NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
647027 | 6jpp | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 0 1H GLY 0 11.488 -19.698 -30.994 2 H2 GLY 0 2H GLY 0 11.323 -19.034 -32.484 3 H3 GLY 0 3H GLY 0 10.210 -18.730 -31.321 4 HA2 GLY 0 1HA GLY 0 13.029 -17.864 -31.269 5 HA3 GLY 0 2HA GLY 0 11.639 -16.818 -31.605 6 H MET 1 H MET 1 12.500 -15.547 -29.799 7 HA MET 1 HA MET 1 11.263 -16.301 -27.236 8 HB2 MET 1 1HB MET 1 13.569 -17.223 -27.132 9 HB3 MET 1 2HB MET 1 14.219 -15.619 -27.483 10 HG2 MET 1 1HG MET 1 13.181 -14.783 -25.355 11 HG3 MET 1 2HG MET 1 12.586 -16.415 -25.045 12 HE1 MET 1 1HE MET 1 15.575 -13.952 -25.050 13 HE2 MET 1 2HE MET 1 16.988 -14.993 -24.773 14 HE3 MET 1 3HE MET 1 16.153 -15.036 -26.338 15 HA PRO 2 HA PRO 2 10.458 -11.893 -27.583 16 HB2 PRO 2 1HB PRO 2 9.339 -11.347 -25.143 17 HB3 PRO 2 2HB PRO 2 8.508 -12.301 -26.409 18 HG2 PRO 2 1HG PRO 2 10.123 -13.345 -24.054 19 HG3 PRO 2 2HG PRO 2 8.469 -13.827 -24.558 20 HD2 PRO 2 1HD PRO 2 10.645 -15.263 -25.292 21 HD3 PRO 2 2HD PRO 2 9.289 -15.019 -26.430 22 HA PRO 3 HA PRO 3 13.847 -9.661 -25.694 23 HB2 PRO 3 1HB PRO 3 11.871 -7.473 -25.047 24 HB3 PRO 3 2HB PRO 3 13.464 -7.347 -25.855 25 HG2 PRO 3 1HG PRO 3 11.194 -7.251 -27.320 26 HG3 PRO 3 2HG PRO 3 12.582 -8.236 -27.894 27 HD2 PRO 3 1HD PRO 3 10.104 -9.171 -26.412 28 HD3 PRO 3 2HD PRO 3 10.876 -9.853 -27.877 29 HA PRO 4 HA PRO 4 13.576 -10.315 -21.270 30 HB2 PRO 4 1HB PRO 4 15.567 -8.716 -20.271 31 HB3 PRO 4 2HB PRO 4 15.879 -10.208 -21.210 32 HG2 PRO 4 1HG PRO 4 15.821 -7.348 -22.232 33 HG3 PRO 4 2HG PRO 4 17.082 -8.594 -22.505 34 HD2 PRO 4 1HD PRO 4 15.139 -8.119 -24.337 35 HD3 PRO 4 2HD PRO 4 15.704 -9.786 -24.019 36 H ALA 5 H ALA 5 12.707 -9.446 -19.381 37 HA ALA 5 HA ALA 5 10.972 -7.159 -19.679 38 HB1 ALA 5 1HB ALA 5 10.367 -9.202 -18.417 39 HB2 ALA 5 2HB ALA 5 11.634 -8.836 -17.221 40 HB3 ALA 5 3HB ALA 5 10.243 -7.745 -17.419 41 H ASP 6 H ASP 6 10.858 -5.293 -18.324 42 HA ASP 6 HA ASP 6 13.469 -4.114 -17.596 43 HB2 ASP 6 1HB ASP 6 12.254 -1.979 -17.631 44 HB3 ASP 6 2HB ASP 6 12.197 -2.866 -19.144 45 H ILE 7 H ILE 7 11.909 -6.099 -15.921 46 HA ILE 7 HA ILE 7 11.194 -4.826 -13.423 47 HB ILE 7 HB ILE 7 12.146 -7.652 -13.995 48 HG12 ILE 7 1HG1 ILE 7 9.257 -6.787 -13.584 49 HG13 ILE 7 2HG1 ILE 7 9.973 -6.876 -15.183 50 HG21 ILE 7 1HG2 ILE 7 10.708 -6.537 -11.546 51 HG22 ILE 7 2HG2 ILE 7 11.041 -8.253 -11.837 52 HG23 ILE 7 3HG2 ILE 7 12.378 -7.147 -11.604 53 HD11 ILE 7 1HD1 ILE 7 10.497 -9.288 -14.815 54 HD12 ILE 7 2HD1 ILE 7 9.611 -9.207 -13.272 55 HD13 ILE 7 3HD1 ILE 7 8.765 -8.902 -14.795 56 H VAL 8 H VAL 8 12.452 -4.295 -11.703 57 HA VAL 8 HA VAL 8 15.405 -4.768 -11.816 58 HB VAL 8 HB VAL 8 15.682 -2.454 -10.901 59 HG11 VAL 8 1HG1 VAL 8 14.605 -2.672 -13.734 60 HG12 VAL 8 2HG1 VAL 8 15.662 -1.396 -13.110 61 HG13 VAL 8 3HG1 VAL 8 16.259 -3.061 -13.216 62 HG21 VAL 8 1HG2 VAL 8 13.386 -1.872 -10.266 63 HG22 VAL 8 2HG2 VAL 8 14.011 -0.739 -11.469 64 HG23 VAL 8 3HG2 VAL 8 12.862 -1.992 -11.961 65 H LYS 9 H LYS 9 16.332 -5.495 -10.048 66 HA LYS 9 HA LYS 9 14.812 -5.886 -7.579 67 HB2 LYS 9 1HB LYS 9 16.410 -7.546 -8.515 68 HB3 LYS 9 2HB LYS 9 17.747 -6.446 -8.158 69 HG2 LYS 9 1HG LYS 9 17.273 -6.558 -5.763 70 HG3 LYS 9 2HG LYS 9 15.797 -7.489 -6.046 71 HD2 LYS 9 1HD LYS 9 18.598 -8.468 -6.742 72 HD3 LYS 9 2HD LYS 9 17.746 -8.834 -5.232 73 HE2 LYS 9 1HE LYS 9 15.887 -9.871 -6.531 74 HE3 LYS 9 2HE LYS 9 16.766 -9.564 -8.031 75 HZ1 LYS 9 1HZ LYS 9 17.125 -11.819 -7.246 76 HZ2 LYS 9 2HZ LYS 9 17.732 -11.301 -5.823 77 HZ3 LYS 9 3HZ LYS 9 18.545 -11.014 -7.214 78 H VAL 10 H VAL 10 15.057 -4.896 -5.633 79 HA VAL 10 HA VAL 10 16.891 -2.563 -5.350 80 HB VAL 10 HB VAL 10 15.089 -1.175 -4.477 81 HG11 VAL 10 1HG1 VAL 10 14.082 -0.530 -6.537 82 HG12 VAL 10 2HG1 VAL 10 15.708 -1.113 -6.920 83 HG13 VAL 10 3HG1 VAL 10 14.298 -2.139 -7.249 84 HG21 VAL 10 1HG2 VAL 10 13.486 -2.909 -3.711 85 HG22 VAL 10 2HG2 VAL 10 12.721 -1.730 -4.776 86 HG23 VAL 10 3HG2 VAL 10 13.142 -3.334 -5.400 87 H ALA 11 H ALA 11 17.210 -1.848 -3.196 88 HA ALA 11 HA ALA 11 16.426 -3.780 -1.041 89 HB1 ALA 11 1HB ALA 11 18.848 -3.905 -1.535 90 HB2 ALA 11 2HB ALA 11 18.993 -2.156 -1.260 91 HB3 ALA 11 3HB ALA 11 18.531 -3.233 0.078 92 H ILE 12 H ILE 12 15.026 -2.886 0.349 93 HA ILE 12 HA ILE 12 14.723 0.074 0.389 94 HB ILE 12 HB ILE 12 12.732 -2.067 1.148 95 HG12 ILE 12 1HG1 ILE 12 12.707 -0.385 -1.392 96 HG13 ILE 12 2HG1 ILE 12 13.409 -2.001 -1.354 97 HG21 ILE 12 1HG2 ILE 12 12.355 0.168 2.250 98 HG22 ILE 12 2HG2 ILE 12 12.349 0.929 0.648 99 HG23 ILE 12 3HG2 ILE 12 11.085 -0.221 1.118 100 HD11 ILE 12 1HD1 ILE 12 11.290 -2.970 -0.641 101 HD12 ILE 12 2HD1 ILE 12 10.541 -1.354 -0.692 102 HD13 ILE 12 3HD1 ILE 12 11.150 -2.087 -2.182 103 H GLU 13 H GLU 13 15.241 1.172 2.105 104 HA GLU 13 HA GLU 13 15.924 -0.050 4.685 105 HB2 GLU 13 1HB GLU 13 15.813 2.830 3.729 106 HB3 GLU 13 2HB GLU 13 16.340 2.330 5.342 107 HG2 GLU 13 1HG GLU 13 18.168 1.000 4.299 108 HG3 GLU 13 2HG GLU 13 17.692 1.614 2.710 109 H TRP 14 H TRP 14 14.947 0.239 6.649 110 HA TRP 14 HA TRP 14 12.759 2.079 7.073 111 HB2 TRP 14 1HB TRP 14 11.493 0.187 6.224 112 HB3 TRP 14 2HB TRP 14 12.282 -0.905 7.361 113 HD1 TRP 14 HD TRP 14 11.159 -1.201 9.640 114 HE1 TRP 14 1HE TRP 14 9.218 -0.119 10.923 115 HE3 TRP 14 3HE TRP 14 10.238 2.733 6.512 116 HZ2 TRP 14 2HZ TRP 14 7.502 2.193 10.640 117 HZ3 TRP 14 3HZ TRP 14 8.490 4.402 7.071 118 HH2 TRP 14 HH TRP 14 7.108 4.139 9.123 119 HA PRO 15 HA PRO 15 15.074 2.232 10.840 120 HB2 PRO 15 1HB PRO 15 12.501 2.967 12.237 121 HB3 PRO 15 2HB PRO 15 14.105 3.762 12.327 122 HG2 PRO 15 1HG PRO 15 12.169 4.838 10.785 123 HG3 PRO 15 2HG PRO 15 13.835 4.697 10.130 124 HD2 PRO 15 1HD PRO 15 11.487 2.836 9.710 125 HD3 PRO 15 2HD PRO 15 12.564 3.555 8.477 126 H GLY 16 H GLY 16 15.721 0.921 12.493 127 HA2 GLY 16 1HA GLY 16 15.769 -0.787 14.028 128 HA3 GLY 16 2HA GLY 16 14.007 -0.751 14.079 129 H ALA 17 H ALA 17 15.260 -1.340 10.907 130 HA ALA 17 HA ALA 17 15.122 -4.299 11.188 131 HB1 ALA 17 1HB ALA 17 12.853 -3.473 10.609 132 HB2 ALA 17 2HB ALA 17 13.525 -2.642 9.185 133 HB3 ALA 17 3HB ALA 17 13.574 -4.412 9.288 134 H TYR 18 H TYR 18 16.095 -5.494 9.524 135 HA TYR 18 HA TYR 18 18.333 -4.286 8.135 136 HB2 TYR 18 1HB TYR 18 17.055 -7.024 7.828 137 HB3 TYR 18 2HB TYR 18 18.596 -6.532 7.138 138 HD1 TYR 18 1HD TYR 18 16.974 -7.956 10.025 139 HD2 TYR 18 2HD TYR 18 20.472 -5.768 8.752 140 HE1 TYR 18 1HE TYR 18 18.163 -8.635 12.107 141 HE2 TYR 18 2HE TYR 18 21.656 -6.452 10.832 142 HH TYR 18 HH TYR 18 21.532 -7.620 12.799 143 HA PRO 19 HA PRO 19 16.259 -2.905 4.525 144 HB2 PRO 19 1HB PRO 19 18.527 -4.025 2.877 145 HB3 PRO 19 2HB PRO 19 17.776 -2.399 2.809 146 HG2 PRO 19 1HG PRO 19 20.131 -2.749 4.099 147 HG3 PRO 19 2HG PRO 19 18.847 -1.744 4.850 148 HD2 PRO 19 1HD PRO 19 19.544 -4.639 5.433 149 HD3 PRO 19 2HD PRO 19 19.240 -3.290 6.570 150 H LYS 20 H LYS 20 14.621 -3.640 3.308 151 HA LYS 20 HA LYS 20 14.215 -6.537 2.883 152 HB2 LYS 20 1HB LYS 20 12.348 -5.297 3.688 153 HB3 LYS 20 2HB LYS 20 12.496 -4.075 2.416 154 HG2 LYS 20 1HG LYS 20 11.787 -5.644 0.719 155 HG3 LYS 20 2HG LYS 20 11.852 -6.999 1.870 156 HD2 LYS 20 1HD LYS 20 9.993 -6.051 3.152 157 HD3 LYS 20 2HD LYS 20 10.022 -4.578 2.182 158 HE2 LYS 20 1HE LYS 20 8.166 -5.977 1.487 159 HE3 LYS 20 2HE LYS 20 9.334 -5.808 0.175 160 HZ1 LYS 20 1HZ LYS 20 10.150 -8.039 0.682 161 HZ2 LYS 20 2HZ LYS 20 8.536 -8.102 0.451 162 HZ3 LYS 20 3HZ LYS 20 9.141 -8.184 1.962 163 H LEU 21 H LEU 21 15.110 -7.506 1.201 164 HA LEU 21 HA LEU 21 15.609 -6.140 -1.362 165 HB2 LEU 21 1HB LEU 21 15.941 -9.003 -0.404 166 HB3 LEU 21 2HB LEU 21 16.229 -8.522 -2.072 167 HG LEU 21 HG LEU 21 17.705 -7.235 0.265 168 HD11 LEU 21 1HD1 LEU 21 18.176 -9.650 0.245 169 HD12 LEU 21 2HD1 LEU 21 19.585 -8.724 -0.294 170 HD13 LEU 21 3HD1 LEU 21 18.573 -9.573 -1.486 171 HD21 LEU 21 1HD2 LEU 21 18.335 -7.405 -2.721 172 HD22 LEU 21 2HD2 LEU 21 19.325 -6.602 -1.481 173 HD23 LEU 21 3HD2 LEU 21 17.725 -5.967 -1.884 174 H MET 22 H MET 22 14.208 -6.043 -3.020 175 HA MET 22 HA MET 22 12.297 -8.175 -3.518 176 HB2 MET 22 1HB MET 22 10.281 -7.038 -3.329 177 HB3 MET 22 2HB MET 22 11.112 -6.652 -1.835 178 HG2 MET 22 1HG MET 22 11.697 -4.447 -2.655 179 HG3 MET 22 2HG MET 22 10.973 -4.780 -4.231 180 HE1 MET 22 1HE MET 22 8.492 -4.753 -4.809 181 HE2 MET 22 2HE MET 22 8.190 -6.180 -3.788 182 HE3 MET 22 3HE MET 22 7.166 -4.741 -3.621 183 H GLU 23 H GLU 23 10.827 -7.406 -5.529 184 HA GLU 23 HA GLU 23 12.649 -6.083 -7.501 185 HB2 GLU 23 1HB GLU 23 10.983 -8.589 -7.788 186 HB3 GLU 23 2HB GLU 23 11.566 -7.650 -9.172 187 HG2 GLU 23 1HG GLU 23 13.875 -7.976 -8.546 188 HG3 GLU 23 2HG GLU 23 13.423 -8.709 -7.007 189 H ILE 24 H ILE 24 11.902 -4.385 -8.423 190 HA ILE 24 HA ILE 24 9.018 -3.667 -8.317 191 HB ILE 24 HB ILE 24 11.572 -2.107 -8.798 192 HG12 ILE 24 1HG1 ILE 24 9.294 -1.991 -6.772 193 HG13 ILE 24 2HG1 ILE 24 10.924 -2.578 -6.482 194 HG21 ILE 24 1HG2 ILE 24 9.974 -1.274 -10.485 195 HG22 ILE 24 2HG2 ILE 24 8.733 -1.077 -9.232 196 HG23 ILE 24 3HG2 ILE 24 10.209 -0.090 -9.220 197 HD11 ILE 24 1HD1 ILE 24 10.741 -0.415 -5.497 198 HD12 ILE 24 2HD1 ILE 24 11.786 -0.260 -6.924 199 HD13 ILE 24 3HD1 ILE 24 10.094 0.301 -6.977 200 H ASP 25 H ASP 25 7.883 -4.504 -9.879 201 HA ASP 25 HA ASP 25 8.920 -4.829 -12.627 202 HB2 ASP 25 1HB ASP 25 7.454 -6.544 -11.618 203 HB3 ASP 25 2HB ASP 25 6.183 -5.344 -11.423 204 H GLN 26 H GLN 26 8.930 -3.154 -13.981 205 HA GLN 26 HA GLN 26 7.686 -0.635 -13.394 206 HB2 GLN 26 1HB GLN 26 8.955 -1.755 -15.913 207 HB3 GLN 26 2HB GLN 26 8.450 -0.076 -15.759 208 HG2 GLN 26 1HG GLN 26 10.508 -1.411 -13.938 209 HG3 GLN 26 2HG GLN 26 10.895 -0.477 -15.375 210 HE21 GLN 26 1HE2 GLN 26 12.124 0.470 -13.274 211 HE22 GLN 26 2HE2 GLN 26 11.340 1.921 -12.661 212 H LYS 27 H LYS 27 6.262 -3.458 -14.794 213 HA LYS 27 HA LYS 27 4.078 -1.959 -16.146 214 HB2 LYS 27 1HB LYS 27 4.353 -4.926 -15.502 215 HB3 LYS 27 2HB LYS 27 3.122 -4.197 -16.515 216 HG2 LYS 27 1HG LYS 27 6.094 -4.384 -17.151 217 HG3 LYS 27 2HG LYS 27 4.779 -5.305 -17.858 218 HD2 LYS 27 1HD LYS 27 4.915 -3.774 -19.524 219 HD3 LYS 27 2HD LYS 27 3.853 -2.850 -18.476 220 HE2 LYS 27 1HE LYS 27 5.549 -1.340 -19.163 221 HE3 LYS 27 2HE LYS 27 5.957 -1.754 -17.495 222 HZ1 LYS 27 1HZ LYS 27 7.931 -1.880 -18.939 223 HZ2 LYS 27 2HZ LYS 27 7.196 -2.967 -19.918 224 HZ3 LYS 27 3HZ LYS 27 7.619 -3.340 -18.377 225 H LYS 28 H LYS 28 4.708 -3.177 -12.925 226 HA LYS 28 HA LYS 28 1.866 -3.424 -12.185 227 HB2 LYS 28 1HB LYS 28 4.478 -3.750 -10.662 228 HB3 LYS 28 2HB LYS 28 2.916 -3.707 -9.837 229 HG2 LYS 28 1HG LYS 28 2.117 -5.602 -11.252 230 HG3 LYS 28 2HG LYS 28 3.692 -5.653 -12.046 231 HD2 LYS 28 1HD LYS 28 3.650 -7.389 -10.406 232 HD3 LYS 28 2HD LYS 28 4.754 -6.141 -9.810 233 HE2 LYS 28 1HE LYS 28 2.994 -5.277 -8.302 234 HE3 LYS 28 2HE LYS 28 1.841 -6.453 -8.950 235 HZ1 LYS 28 1HZ LYS 28 2.837 -7.216 -6.855 236 HZ2 LYS 28 2HZ LYS 28 4.328 -7.137 -7.468 237 HZ3 LYS 28 3HZ LYS 28 3.261 -8.229 -8.071 238 HA PRO 29 HA PRO 29 1.318 0.755 -10.757 239 HB2 PRO 29 1HB PRO 29 -0.671 0.446 -8.887 240 HB3 PRO 29 2HB PRO 29 -0.951 0.326 -10.646 241 HG2 PRO 29 1HG PRO 29 -0.576 -1.905 -8.665 242 HG3 PRO 29 2HG PRO 29 -1.766 -1.795 -9.993 243 HD2 PRO 29 1HD PRO 29 0.578 -3.214 -10.168 244 HD3 PRO 29 2HD PRO 29 -0.193 -2.439 -11.578 245 H LEU 30 H LEU 30 2.199 2.039 -9.205 246 HA LEU 30 HA LEU 30 4.006 0.956 -7.285 247 HB2 LEU 30 1HB LEU 30 2.795 3.715 -7.665 248 HB3 LEU 30 2HB LEU 30 4.004 3.386 -6.427 249 HG LEU 30 HG LEU 30 4.529 2.725 -9.356 250 HD11 LEU 30 1HD1 LEU 30 5.715 4.861 -9.503 251 HD12 LEU 30 2HD1 LEU 30 5.128 5.315 -7.882 252 HD13 LEU 30 3HD1 LEU 30 3.982 5.099 -9.228 253 HD21 LEU 30 1HD2 LEU 30 6.059 1.680 -7.712 254 HD22 LEU 30 2HD2 LEU 30 6.364 3.265 -6.974 255 HD23 LEU 30 3HD2 LEU 30 6.893 2.930 -8.639 256 H SER 31 H SER 31 0.596 1.924 -6.892 257 HA SER 31 HA SER 31 0.441 1.805 -4.073 258 HB2 SER 31 1HB SER 31 -1.654 0.867 -6.077 259 HB3 SER 31 2HB SER 31 -1.947 1.384 -4.409 260 HG SER 31 HG SER 31 -1.347 3.474 -4.971 261 H ALA 32 H ALA 32 0.185 -0.906 -6.451 262 HA ALA 32 HA ALA 32 -0.272 -2.936 -4.428 263 HB1 ALA 32 1HB ALA 32 0.178 -4.504 -6.272 264 HB2 ALA 32 2HB ALA 32 -0.943 -3.232 -6.785 265 HB3 ALA 32 3HB ALA 32 0.766 -3.177 -7.291 266 H ILE 33 H ILE 33 2.655 -1.697 -6.086 267 HA ILE 33 HA ILE 33 4.514 -3.525 -4.886 268 HB ILE 33 HB ILE 33 4.890 -0.713 -5.968 269 HG12 ILE 33 1HG1 ILE 33 5.639 -3.385 -7.237 270 HG13 ILE 33 2HG1 ILE 33 4.092 -2.613 -7.539 271 HG21 ILE 33 1HG2 ILE 33 7.298 -1.186 -6.042 272 HG22 ILE 33 2HG2 ILE 33 6.739 -1.289 -4.387 273 HG23 ILE 33 3HG2 ILE 33 7.036 -2.782 -5.300 274 HD11 ILE 33 1HD1 ILE 33 5.191 -0.634 -8.487 275 HD12 ILE 33 2HD1 ILE 33 6.780 -1.380 -8.208 276 HD13 ILE 33 3HD1 ILE 33 5.643 -2.119 -9.341 277 H ILE 34 H ILE 34 3.512 -0.218 -3.823 278 HA ILE 34 HA ILE 34 5.068 -0.165 -1.436 279 HB ILE 34 HB ILE 34 2.529 1.264 -2.273 280 HG12 ILE 34 1HG1 ILE 34 5.336 2.401 -1.897 281 HG13 ILE 34 2HG1 ILE 34 4.859 1.655 -3.412 282 HG21 ILE 34 1HG2 ILE 34 4.214 1.771 0.222 283 HG22 ILE 34 2HG2 ILE 34 2.942 2.851 -0.391 284 HG23 ILE 34 3HG2 ILE 34 2.513 1.254 0.183 285 HD11 ILE 34 1HD1 ILE 34 3.519 4.088 -2.178 286 HD12 ILE 34 2HD1 ILE 34 4.592 4.050 -3.587 287 HD13 ILE 34 3HD1 ILE 34 2.998 3.275 -3.664 288 H LYS 35 H LYS 35 1.743 -1.420 -1.988 289 HA LYS 35 HA LYS 35 1.232 -2.247 0.699 290 HB2 LYS 35 1HB LYS 35 -0.411 -2.109 -1.190 291 HB3 LYS 35 2HB LYS 35 0.255 -3.603 -1.841 292 HG2 LYS 35 1HG LYS 35 -0.320 -4.775 0.282 293 HG3 LYS 35 2HG LYS 35 -0.967 -3.255 0.931 294 HD2 LYS 35 1HD LYS 35 -2.574 -3.200 -1.028 295 HD3 LYS 35 2HD LYS 35 -2.019 -4.813 -1.481 296 HE2 LYS 35 1HE LYS 35 -3.265 -4.050 1.205 297 HE3 LYS 35 2HE LYS 35 -4.154 -4.756 -0.146 298 HZ1 LYS 35 1HZ LYS 35 -3.508 -6.465 1.427 299 HZ2 LYS 35 2HZ LYS 35 -1.927 -6.091 1.301 300 HZ3 LYS 35 3HZ LYS 35 -2.727 -6.729 0.021 301 H GLU 36 H GLU 36 2.999 -3.941 -1.931 302 HA GLU 36 HA GLU 36 3.573 -6.295 -0.359 303 HB2 GLU 36 1HB GLU 36 4.577 -5.109 -2.961 304 HB3 GLU 36 2HB GLU 36 5.276 -6.558 -2.276 305 HG2 GLU 36 1HG GLU 36 3.219 -7.772 -2.435 306 HG3 GLU 36 2HG GLU 36 2.283 -6.308 -2.724 307 H VAL 37 H VAL 37 5.203 -3.128 -0.611 308 HA VAL 37 HA VAL 37 7.606 -3.985 0.765 309 HB VAL 37 HB VAL 37 6.440 -1.179 0.870 310 HG11 VAL 37 1HG1 VAL 37 8.764 -0.560 1.369 311 HG12 VAL 37 2HG1 VAL 37 8.196 -1.735 2.563 312 HG13 VAL 37 3HG1 VAL 37 9.268 -2.259 1.262 313 HG21 VAL 37 1HG2 VAL 37 8.005 -0.578 -0.901 314 HG22 VAL 37 2HG2 VAL 37 8.467 -2.282 -1.094 315 HG23 VAL 37 3HG2 VAL 37 6.837 -1.741 -1.492 316 H CYS 38 H CYS 38 4.753 -2.155 1.978 317 HA CYS 38 HA CYS 38 5.641 -2.155 4.679 318 HB2 CYS 38 1HB CYS 38 3.393 -1.239 5.159 319 HB3 CYS 38 2HB CYS 38 4.162 -0.453 3.789 320 HG CYS 38 HG CYS 38 2.843 -1.622 1.949 321 H ASP 39 H ASP 39 3.446 -4.470 3.038 322 HA ASP 39 HA ASP 39 2.685 -5.973 5.319 323 HB2 ASP 39 1HB ASP 39 1.732 -6.178 3.035 324 HB3 ASP 39 2HB ASP 39 3.237 -6.915 2.475 325 H GLY 40 H GLY 40 5.782 -5.922 3.596 326 HA2 GLY 40 1HA GLY 40 6.929 -8.354 4.621 327 HA3 GLY 40 2HA GLY 40 7.792 -6.941 3.997 328 H TRP 41 H TRP 41 6.474 -5.171 6.057 329 HA TRP 41 HA TRP 41 7.870 -6.052 8.551 330 HB2 TRP 41 1HB TRP 41 7.409 -3.283 7.412 331 HB3 TRP 41 2HB TRP 41 8.041 -3.596 9.023 332 HD1 TRP 41 HD TRP 41 10.280 -5.540 8.753 333 HE1 TRP 41 1HE TRP 41 12.401 -5.106 7.370 334 HE3 TRP 41 3HE TRP 41 8.458 -1.970 5.561 335 HZ2 TRP 41 2HZ TRP 41 13.225 -3.381 5.225 336 HZ3 TRP 41 3HZ TRP 41 9.962 -0.928 3.871 337 HH2 TRP 41 HH TRP 41 12.318 -1.622 3.696 338 H SER 42 H SER 42 4.930 -6.327 7.457 339 HA SER 42 HA SER 42 2.805 -6.243 8.191 340 HB2 SER 42 1HB SER 42 4.023 -6.364 10.968 341 HB3 SER 42 2HB SER 42 2.354 -6.758 10.530 342 HG SER 42 HG SER 42 4.724 -8.090 9.679 343 H LEU 43 H LEU 43 3.986 -3.634 7.688 344 HA LEU 43 HA LEU 43 2.905 -1.746 9.659 345 HB2 LEU 43 1HB LEU 43 4.255 -1.531 6.967 346 HB3 LEU 43 2HB LEU 43 3.660 -0.101 7.794 347 HG LEU 43 HG LEU 43 5.695 -2.060 8.970 348 HD11 LEU 43 1HD1 LEU 43 6.510 -1.012 6.870 349 HD12 LEU 43 2HD1 LEU 43 7.419 -0.509 8.293 350 HD13 LEU 43 3HD1 LEU 43 6.219 0.593 7.579 351 HD21 LEU 43 1HD2 LEU 43 4.970 0.802 9.740 352 HD22 LEU 43 2HD2 LEU 43 6.265 -0.177 10.462 353 HD23 LEU 43 3HD2 LEU 43 4.579 -0.660 10.675 354 H ALA 44 H ALA 44 0.926 -0.905 9.670 355 HA ALA 44 HA ALA 44 -1.100 -1.854 7.830 356 HB1 ALA 44 1HB ALA 44 -1.454 -1.657 10.268 357 HB2 ALA 44 2HB ALA 44 -1.241 0.107 10.161 358 HB3 ALA 44 3HB ALA 44 -2.623 -0.676 9.368 359 H ASN 45 H ASN 45 -2.720 -0.449 6.887 360 HA ASN 45 HA ASN 45 -3.431 1.096 5.378 361 HB2 ASN 45 1HB ASN 45 -2.083 3.010 7.307 362 HB3 ASN 45 2HB ASN 45 -3.380 3.403 6.186 363 HD21 ASN 45 1HD2 ASN 45 -2.995 3.151 9.327 364 HD22 ASN 45 2HD2 ASN 45 -4.502 2.367 9.778 365 H HIS 46 H HIS 46 -1.849 0.112 3.766 366 HA HIS 46 HA HIS 46 0.633 1.333 3.172 367 HB2 HIS 46 1HB HIS 46 0.627 0.020 1.223 368 HB3 HIS 46 2HB HIS 46 -0.253 -0.924 2.426 369 HD2 HIS 46 2HD HIS 46 -0.739 1.059 -0.794 370 HE1 HIS 46 1HE HIS 46 -4.374 -1.080 -0.159 371 HE2 HIS 46 2HE HIS 46 -3.114 0.411 -1.785 372 H GLU 47 H GLU 47 -2.582 2.413 2.369 373 HA GLU 47 HA GLU 47 -2.165 4.214 0.230 374 HB2 GLU 47 1HB GLU 47 -3.877 4.588 2.727 375 HB3 GLU 47 2HB GLU 47 -4.082 5.456 1.216 376 HG2 GLU 47 1HG GLU 47 -4.512 2.472 1.654 377 HG3 GLU 47 2HG GLU 47 -5.759 3.704 1.551 378 H TYR 48 H TYR 48 -1.156 4.492 3.611 379 HA TYR 48 HA TYR 48 -0.657 7.363 3.551 380 HB2 TYR 48 1HB TYR 48 0.284 5.166 5.438 381 HB3 TYR 48 2HB TYR 48 0.495 6.871 5.717 382 HD1 TYR 48 1HD TYR 48 -0.445 5.834 7.911 383 HD2 TYR 48 2HD TYR 48 -2.824 6.585 4.381 384 HE1 TYR 48 1HE TYR 48 -2.502 5.877 9.294 385 HE2 TYR 48 2HE TYR 48 -4.871 6.531 5.742 386 HH TYR 48 HH TYR 48 -5.763 6.354 7.856 387 H PHE 49 H PHE 49 1.121 4.639 2.366 388 HA PHE 49 HA PHE 49 3.752 5.857 2.945 389 HB2 PHE 49 1HB PHE 49 2.822 3.079 2.252 390 HB3 PHE 49 2HB PHE 49 4.515 3.541 2.139 391 HD1 PHE 49 1HD PHE 49 5.870 4.026 4.093 392 HD2 PHE 49 2HD PHE 49 1.690 3.037 4.508 393 HE1 PHE 49 1HE PHE 49 6.147 3.834 6.549 394 HE2 PHE 49 2HE PHE 49 1.984 2.823 6.956 395 HZ PHE 49 HZ PHE 49 4.216 3.216 7.986 396 H ALA 50 H ALA 50 5.438 5.869 1.537 397 HA ALA 50 HA ALA 50 5.063 5.591 -1.363 398 HB1 ALA 50 1HB ALA 50 6.177 7.789 -1.753 399 HB2 ALA 50 2HB ALA 50 4.599 7.978 -0.974 400 HB3 ALA 50 3HB ALA 50 6.092 8.136 -0.013 401 H LEU 51 H LEU 51 7.066 5.311 -2.458 402 HA LEU 51 HA LEU 51 9.353 4.440 -0.773 403 HB2 LEU 51 1HB LEU 51 8.543 4.050 -3.659 404 HB3 LEU 51 2HB LEU 51 10.228 3.857 -3.187 405 HG LEU 51 HG LEU 51 7.968 2.336 -1.818 406 HD11 LEU 51 1HD1 LEU 51 8.610 0.417 -3.238 407 HD12 LEU 51 2HD1 LEU 51 9.730 1.459 -4.143 408 HD13 LEU 51 3HD1 LEU 51 7.980 1.759 -4.205 409 HD21 LEU 51 1HD2 LEU 51 9.817 0.807 -1.172 410 HD22 LEU 51 2HD2 LEU 51 10.091 2.425 -0.535 411 HD23 LEU 51 3HD2 LEU 51 10.986 1.870 -1.968 412 H GLN 52 H GLN 52 11.341 5.331 -0.958 413 HA GLN 52 HA GLN 52 11.677 7.979 -2.297 414 HB2 GLN 52 1HB GLN 52 10.998 8.378 -0.016 415 HB3 GLN 52 2HB GLN 52 12.094 7.139 0.586 416 HG2 GLN 52 1HG GLN 52 12.896 9.314 1.193 417 HG3 GLN 52 2HG GLN 52 14.037 8.528 0.113 418 HE21 GLN 52 1HE2 GLN 52 12.525 11.511 0.689 419 HE22 GLN 52 2HE2 GLN 52 12.725 12.140 -0.951 420 H HIS 53 H HIS 53 13.770 8.427 -2.931 421 HA HIS 53 HA HIS 53 15.631 6.128 -3.278 422 HB2 HIS 53 1HB HIS 53 15.639 8.991 -4.262 423 HB3 HIS 53 2HB HIS 53 17.083 7.978 -4.299 424 HD2 HIS 53 2HD HIS 53 14.057 8.699 -6.349 425 HE1 HIS 53 1HE HIS 53 15.899 5.296 -8.127 426 HE2 HIS 53 2HE HIS 53 14.138 7.112 -8.447 427 H ALA 54 H ALA 54 17.201 5.634 -1.881 428 HA ALA 54 HA ALA 54 17.877 7.543 0.303 429 HB1 ALA 54 1HB ALA 54 17.086 5.254 0.855 430 HB2 ALA 54 2HB ALA 54 18.480 4.584 -0.017 431 HB3 ALA 54 3HB ALA 54 18.732 5.567 1.436 432 H ASP 55 H ASP 55 19.378 5.845 -2.444 433 HA ASP 55 HA ASP 55 22.100 6.287 -1.689 434 HB2 ASP 55 1HB ASP 55 21.252 4.570 -3.291 435 HB3 ASP 55 2HB ASP 55 20.883 5.848 -4.447 436 H SER 56 H SER 56 19.894 8.230 -3.710 437 HA SER 56 HA SER 56 21.467 10.659 -3.452 438 HB2 SER 56 1HB SER 56 22.697 9.399 -5.256 439 HB3 SER 56 2HB SER 56 21.213 9.416 -6.223 440 HG SER 56 HG SER 56 22.703 11.140 -6.707 441 H SER 57 H SER 57 20.444 12.336 -5.031 442 HA SER 57 HA SER 57 18.791 13.715 -5.599 443 HB2 SER 57 1HB SER 57 17.166 12.958 -7.079 444 HB3 SER 57 2HB SER 57 18.538 11.863 -7.287 445 HG SER 57 HG SER 57 17.429 10.369 -5.925 446 H ASN 58 H ASN 58 17.488 11.281 -3.408 447 HA ASN 58 HA ASN 58 15.701 11.142 -2.113 448 HB2 ASN 58 1HB ASN 58 15.296 12.851 -0.474 449 HB3 ASN 58 2HB ASN 58 17.012 12.595 -0.718 450 HD21 ASN 58 1HD2 ASN 58 14.364 14.749 -1.846 451 HD22 ASN 58 2HD2 ASN 58 15.363 16.205 -1.831 452 H PHE 59 H PHE 59 15.057 11.561 -4.859 453 HA PHE 59 HA PHE 59 12.502 13.003 -4.918 454 HB2 PHE 59 1HB PHE 59 13.652 10.927 -6.811 455 HB3 PHE 59 2HB PHE 59 12.235 11.917 -7.103 456 HD1 PHE 59 1HD PHE 59 14.430 11.610 -9.007 457 HD2 PHE 59 2HD PHE 59 13.907 14.511 -5.854 458 HE1 PHE 59 1HE PHE 59 15.816 13.245 -10.272 459 HE2 PHE 59 2HE PHE 59 15.292 16.127 -7.111 460 HZ PHE 59 HZ PHE 59 16.250 15.505 -9.322 461 H TYR 60 H TYR 60 10.646 12.259 -4.056 462 HA TYR 60 HA TYR 60 10.148 9.551 -3.208 463 HB2 TYR 60 1HB TYR 60 8.236 11.804 -3.941 464 HB3 TYR 60 2HB TYR 60 7.741 10.266 -3.256 465 HD1 TYR 60 1HD TYR 60 8.257 9.648 -0.934 466 HD2 TYR 60 2HD TYR 60 9.274 13.530 -2.528 467 HE1 TYR 60 1HE TYR 60 8.501 10.547 1.380 468 HE2 TYR 60 2HE TYR 60 9.556 14.406 -0.218 469 HH TYR 60 HH TYR 60 9.525 13.919 2.023 470 H ILE 61 H ILE 61 9.111 7.843 -4.263 471 HA ILE 61 HA ILE 61 9.365 7.858 -7.164 472 HB ILE 61 HB ILE 61 8.345 5.683 -5.328 473 HG12 ILE 61 1HG1 ILE 61 10.632 6.149 -4.721 474 HG13 ILE 61 2HG1 ILE 61 10.603 4.673 -5.657 475 HG21 ILE 61 1HG2 ILE 61 8.879 4.166 -7.229 476 HG22 ILE 61 2HG2 ILE 61 7.582 5.295 -7.610 477 HG23 ILE 61 3HG2 ILE 61 9.207 5.582 -8.251 478 HD11 ILE 61 1HD1 ILE 61 11.527 7.425 -6.618 479 HD12 ILE 61 2HD1 ILE 61 12.510 5.987 -6.298 480 HD13 ILE 61 3HD1 ILE 61 11.395 6.001 -7.673 481 H THR 62 H THR 62 7.895 7.884 -8.686 482 HA THR 62 HA THR 62 4.991 8.115 -8.178 483 HB THR 62 HB THR 62 4.797 10.155 -9.442 484 HG1 THR 62 1HG THR 62 6.683 11.270 -10.105 485 HG21 THR 62 1HG2 THR 62 5.317 10.469 -7.011 486 HG22 THR 62 2HG2 THR 62 5.795 11.830 -8.042 487 HG23 THR 62 3HG2 THR 62 7.025 10.698 -7.450 488 H GLU 63 H GLU 63 3.883 8.301 -10.451 489 HA GLU 63 HA GLU 63 4.599 6.097 -12.059 490 HB2 GLU 63 1HB GLU 63 2.947 8.556 -12.764 491 HB3 GLU 63 2HB GLU 63 3.029 7.075 -13.731 492 HG2 GLU 63 1HG GLU 63 2.124 5.765 -11.835 493 HG3 GLU 63 2HG GLU 63 2.046 7.226 -10.847 494 H LYS 64 H LYS 64 5.896 9.324 -12.149 495 HA LYS 64 HA LYS 64 7.388 8.851 -14.688 496 HB2 LYS 64 1HB LYS 64 7.287 11.253 -12.816 497 HB3 LYS 64 2HB LYS 64 8.265 11.144 -14.287 498 HG2 LYS 64 1HG LYS 64 6.182 10.766 -15.623 499 HG3 LYS 64 2HG LYS 64 5.215 11.018 -14.166 500 HD2 LYS 64 1HD LYS 64 7.102 13.064 -15.416 501 HD3 LYS 64 2HD LYS 64 5.344 13.026 -15.610 502 HE2 LYS 64 1HE LYS 64 5.072 13.300 -13.143 503 HE3 LYS 64 2HE LYS 64 6.830 13.401 -12.969 504 HZ1 LYS 64 1HZ LYS 64 5.164 15.300 -14.535 505 HZ2 LYS 64 2HZ LYS 64 6.789 15.391 -14.379 506 HZ3 LYS 64 3HZ LYS 64 5.829 15.608 -13.078 507 H ASN 65 H ASN 65 8.120 9.532 -11.221 508 HA ASN 65 HA ASN 65 10.942 9.304 -11.602 509 HB2 ASN 65 1HB ASN 65 9.251 9.247 -9.080 510 HB3 ASN 65 2HB ASN 65 11.009 9.316 -9.080 511 HD21 ASN 65 1HD2 ASN 65 9.583 11.242 -7.787 512 HD22 ASN 65 2HD2 ASN 65 9.765 12.757 -8.671 513 H ARG 66 H ARG 66 8.632 6.730 -11.123 514 HA ARG 66 HA ARG 66 10.294 4.632 -10.175 515 HB2 ARG 66 1HB ARG 66 8.754 3.159 -11.375 516 HB3 ARG 66 2HB ARG 66 7.892 4.423 -10.489 517 HG2 ARG 66 1HG ARG 66 7.574 5.712 -12.562 518 HG3 ARG 66 2HG ARG 66 8.479 4.522 -13.483 519 HD2 ARG 66 1HD ARG 66 6.323 3.261 -11.935 520 HD3 ARG 66 2HD ARG 66 5.702 4.537 -12.968 521 HE ARG 66 HE ARG 66 7.201 2.125 -13.840 522 HH11 ARG 66 1HH1 ARG 66 6.341 1.318 -15.797 523 HH12 ARG 66 2HH1 ARG 66 5.974 2.468 -17.055 524 HH21 ARG 66 1HH2 ARG 66 5.894 5.189 -14.954 525 HH22 ARG 66 2HH2 ARG 66 5.563 4.562 -16.548 526 H ASN 67 H ASN 67 10.400 6.222 -13.310 527 HA ASN 67 HA ASN 67 11.987 4.177 -14.626 528 HB2 ASN 67 1HB ASN 67 11.513 7.117 -15.290 529 HB3 ASN 67 2HB ASN 67 12.290 5.947 -16.350 530 HD21 ASN 67 1HD2 ASN 67 9.250 7.162 -15.241 531 HD22 ASN 67 2HD2 ASN 67 8.260 6.064 -16.207 532 H GLU 68 H GLU 68 12.842 6.601 -12.282 533 HA GLU 68 HA GLU 68 15.682 6.736 -13.039 534 HB2 GLU 68 1HB GLU 68 14.311 7.572 -10.458 535 HB3 GLU 68 2HB GLU 68 15.936 7.994 -10.971 536 HG2 GLU 68 1HG GLU 68 13.315 8.925 -12.192 537 HG3 GLU 68 2HG GLU 68 14.502 9.888 -11.324 538 H ILE 69 H ILE 69 13.733 4.409 -11.423 539 HA ILE 69 HA ILE 69 15.768 3.377 -9.607 540 HB ILE 69 HB ILE 69 13.196 2.096 -10.596 541 HG12 ILE 69 1HG1 ILE 69 13.694 3.678 -8.025 542 HG13 ILE 69 2HG1 ILE 69 12.791 4.278 -9.415 543 HG21 ILE 69 1HG2 ILE 69 14.876 0.495 -9.642 544 HG22 ILE 69 2HG2 ILE 69 14.893 1.453 -8.149 545 HG23 ILE 69 3HG2 ILE 69 13.418 0.609 -8.676 546 HD11 ILE 69 1HD1 ILE 69 11.974 1.998 -7.601 547 HD12 ILE 69 2HD1 ILE 69 11.193 3.563 -7.815 548 HD13 ILE 69 3HD1 ILE 69 11.160 2.385 -9.139 549 H LYS 70 H LYS 70 17.245 1.907 -9.995 550 HA LYS 70 HA LYS 70 17.236 0.272 -12.485 551 HB2 LYS 70 1HB LYS 70 19.708 0.544 -12.614 552 HB3 LYS 70 2HB LYS 70 18.794 2.011 -12.882 553 HG2 LYS 70 1HG LYS 70 20.646 2.673 -11.646 554 HG3 LYS 70 2HG LYS 70 19.316 2.728 -10.503 555 HD2 LYS 70 1HD LYS 70 20.106 0.575 -9.506 556 HD3 LYS 70 2HD LYS 70 21.400 0.506 -10.725 557 HE2 LYS 70 1HE LYS 70 22.237 2.712 -9.871 558 HE3 LYS 70 2HE LYS 70 20.996 2.675 -8.613 559 HZ1 LYS 70 1HZ LYS 70 23.134 0.628 -8.931 560 HZ2 LYS 70 2HZ LYS 70 22.043 0.670 -7.709 561 HZ3 LYS 70 3HZ LYS 70 23.170 1.840 -7.841 562 H ASN 71 H ASN 71 18.759 -1.648 -12.326 563 HA ASN 71 HA ASN 71 18.027 -3.236 -10.042 564 HB2 ASN 71 1HB ASN 71 19.764 -4.854 -10.970 565 HB3 ASN 71 2HB ASN 71 18.376 -4.462 -11.973 566 HD21 ASN 71 1HD2 ASN 71 21.439 -2.558 -11.596 567 HD22 ASN 71 2HD2 ASN 71 21.854 -2.721 -13.304 568 H GLY 72 H GLY 72 18.810 -3.323 -8.066 569 HA2 GLY 72 1HA GLY 72 20.293 -3.169 -6.279 570 HA3 GLY 72 2HA GLY 72 21.603 -2.703 -7.364 571 H THR 73 H THR 73 18.422 -1.034 -7.165 572 HA THR 73 HA THR 73 19.722 1.487 -6.296 573 HB THR 73 HB THR 73 16.773 0.875 -6.680 574 HG1 THR 73 1HG THR 73 17.921 0.766 -8.566 575 HG21 THR 73 1HG2 THR 73 17.103 2.862 -5.223 576 HG22 THR 73 2HG2 THR 73 16.515 3.318 -6.822 577 HG23 THR 73 3HG2 THR 73 18.228 3.546 -6.418 578 H ILE 74 H ILE 74 19.890 2.187 -4.218 579 HA ILE 74 HA ILE 74 18.564 0.672 -2.054 580 HB ILE 74 HB ILE 74 20.330 3.098 -1.720 581 HG12 ILE 74 1HG1 ILE 74 21.215 0.175 -1.595 582 HG13 ILE 74 2HG1 ILE 74 21.571 1.255 -2.943 583 HG21 ILE 74 1HG2 ILE 74 18.790 2.357 0.180 584 HG22 ILE 74 2HG2 ILE 74 19.638 0.810 0.187 585 HG23 ILE 74 3HG2 ILE 74 20.501 2.311 0.585 586 HD11 ILE 74 1HD1 ILE 74 22.568 1.619 -0.105 587 HD12 ILE 74 2HD1 ILE 74 23.500 1.178 -1.545 588 HD13 ILE 74 3HD1 ILE 74 22.777 2.794 -1.431 589 H LEU 75 H LEU 75 16.585 1.148 -1.585 590 HA LEU 75 HA LEU 75 15.479 3.911 -1.882 591 HB2 LEU 75 1HB LEU 75 14.097 1.211 -1.976 592 HB3 LEU 75 2HB LEU 75 13.264 2.763 -2.040 593 HG LEU 75 HG LEU 75 15.171 1.683 -4.158 594 HD11 LEU 75 1HD1 LEU 75 13.156 1.484 -5.518 595 HD12 LEU 75 2HD1 LEU 75 12.157 2.123 -4.198 596 HD13 LEU 75 3HD1 LEU 75 12.961 0.548 -4.025 597 HD21 LEU 75 1HD2 LEU 75 15.285 4.122 -4.149 598 HD22 LEU 75 2HD2 LEU 75 13.511 4.248 -4.071 599 HD23 LEU 75 3HD2 LEU 75 14.308 3.603 -5.521 600 H ARG 76 H ARG 76 13.571 4.198 -0.329 601 HA ARG 76 HA ARG 76 13.819 2.865 2.312 602 HB2 ARG 76 1HB ARG 76 15.310 4.850 2.250 603 HB3 ARG 76 2HB ARG 76 13.935 5.885 1.853 604 HG2 ARG 76 1HG ARG 76 12.936 5.494 4.027 605 HG3 ARG 76 2HG ARG 76 14.073 4.175 4.365 606 HD2 ARG 76 1HD ARG 76 15.964 5.846 4.213 607 HD3 ARG 76 2HD ARG 76 14.766 7.123 4.035 608 HE ARG 76 HE ARG 76 13.995 6.731 6.280 609 HH11 ARG 76 1HH1 ARG 76 17.005 4.927 5.632 610 HH12 ARG 76 2HH1 ARG 76 17.340 4.830 7.335 611 HH21 ARG 76 1HH2 ARG 76 14.589 6.567 8.387 612 HH22 ARG 76 2HH2 ARG 76 16.039 5.716 8.830 613 H LEU 77 H LEU 77 11.909 2.617 3.344 614 HA LEU 77 HA LEU 77 9.419 3.498 1.998 615 HB2 LEU 77 1HB LEU 77 9.545 1.218 2.799 616 HB3 LEU 77 2HB LEU 77 9.967 1.753 4.425 617 HG LEU 77 HG LEU 77 7.672 2.841 4.521 618 HD11 LEU 77 1HD1 LEU 77 7.355 1.260 1.914 619 HD12 LEU 77 2HD1 LEU 77 7.145 3.009 2.120 620 HD13 LEU 77 3HD1 LEU 77 5.998 1.876 2.858 621 HD21 LEU 77 1HD2 LEU 77 7.705 -0.145 4.010 622 HD22 LEU 77 2HD2 LEU 77 6.485 0.761 4.932 623 HD23 LEU 77 3HD2 LEU 77 8.148 0.647 5.536 624 H THR 78 H THR 78 8.136 5.146 2.695 625 HA THR 78 HA THR 78 8.464 6.376 5.351 626 HB THR 78 HB THR 78 10.295 7.387 4.113 627 HG1 THR 78 1HG THR 78 9.352 8.795 5.462 628 HG21 THR 78 1HG2 THR 78 8.243 8.287 2.051 629 HG22 THR 78 2HG2 THR 78 9.576 7.143 1.786 630 HG23 THR 78 3HG2 THR 78 9.937 8.828 2.155 631 H THR 79 H THR 79 6.714 7.920 5.850 632 HA THR 79 HA THR 79 4.251 7.355 4.369 633 HB THR 79 HB THR 79 3.219 9.043 5.911 634 HG1 THR 79 1HG THR 79 5.109 10.140 6.533 635 HG21 THR 79 1HG2 THR 79 3.072 6.621 6.310 636 HG22 THR 79 2HG2 THR 79 3.173 7.529 7.822 637 HG23 THR 79 3HG2 THR 79 4.605 6.667 7.209 638 H SER 80 H SER 80 3.195 8.625 2.974 639 HA SER 80 HA SER 80 4.811 10.218 1.272 640 HB2 SER 80 1HB SER 80 3.030 8.782 0.461 641 HB3 SER 80 2HB SER 80 1.812 9.751 1.308 642 HG SER 80 HG SER 80 2.206 10.215 -1.017 643 HA PRO 81 HA PRO 81 3.911 14.444 2.715 644 HB2 PRO 81 1HB PRO 81 4.288 15.034 -0.228 645 HB3 PRO 81 2HB PRO 81 4.946 15.908 1.190 646 HG2 PRO 81 1HG PRO 81 6.517 14.224 -0.215 647 HG3 PRO 81 2HG PRO 81 6.555 14.174 1.581 648 HD2 PRO 81 1HD PRO 81 5.043 12.352 -0.318 649 HD3 PRO 81 2HD PRO 81 6.053 11.929 1.100 650 H ALA 82 H ALA 82 2.142 12.712 0.242 651 HA ALA 82 HA ALA 82 -0.058 14.612 -0.037 652 HB1 ALA 82 1HB ALA 82 0.149 11.652 -0.740 653 HB2 ALA 82 2HB ALA 82 -1.034 12.811 -1.370 654 HB3 ALA 82 3HB ALA 82 0.679 12.984 -1.805 655 H GLN 83 H GLN 83 0.763 12.309 2.425 656 HA GLN 83 HA GLN 83 -1.776 11.126 2.867 657 HB2 GLN 83 1HB GLN 83 0.475 10.270 3.497 658 HB3 GLN 83 2HB GLN 83 0.552 11.428 4.820 659 HG2 GLN 83 1HG GLN 83 -1.726 9.423 4.521 660 HG3 GLN 83 2HG GLN 83 -0.181 8.979 5.233 661 HE21 GLN 83 1HE2 GLN 83 -2.291 8.543 6.836 662 HE22 GLN 83 2HE2 GLN 83 -2.332 9.760 8.104 663 H ASN 84 H ASN 84 -0.373 14.047 4.271 664 HA ASN 84 HA ASN 84 -2.376 14.487 6.296 665 HB2 ASN 84 1HB ASN 84 -1.440 16.899 6.153 666 HB3 ASN 84 2HB ASN 84 -0.399 15.597 6.714 667 HD21 ASN 84 1HD2 ASN 84 -1.180 16.408 3.284 668 HD22 ASN 84 2HD2 ASN 84 0.528 16.582 2.861 669 H ALA 85 H ALA 85 -4.299 15.476 6.279 670 HA ALA 85 HA ALA 85 -5.247 17.125 4.047 671 HB1 ALA 85 1HB ALA 85 -6.581 14.470 4.762 672 HB2 ALA 85 2HB ALA 85 -7.212 15.676 3.620 673 HB3 ALA 85 3HB ALA 85 -5.704 14.820 3.255 674 H GLN 86 H GLN 86 -7.413 18.060 4.513 675 HA GLN 86 HA GLN 86 -7.571 19.014 7.239 676 HB2 GLN 86 1HB GLN 86 -9.551 19.348 4.950 677 HB3 GLN 86 2HB GLN 86 -9.536 20.262 6.458 678 HG2 GLN 86 1HG GLN 86 -7.420 20.330 4.261 679 HG3 GLN 86 2HG GLN 86 -8.577 21.593 4.667 680 HE21 GLN 86 1HE2 GLN 86 -8.410 22.257 7.204 681 HE22 GLN 86 2HE2 GLN 86 -6.750 22.504 7.728 682 H GLN 87 H GLN 87 -8.669 18.257 8.918 683 HA GLN 87 HA GLN 87 -10.106 15.727 8.711 684 HB2 GLN 87 1HB GLN 87 -9.366 17.411 11.134 685 HB3 GLN 87 2HB GLN 87 -10.011 15.761 11.162 686 HG2 GLN 87 1HG GLN 87 -8.010 15.035 9.775 687 HG3 GLN 87 2HG GLN 87 -7.319 16.641 10.044 688 HE21 GLN 87 1HE2 GLN 87 -7.627 17.232 12.674 689 HE22 GLN 87 2HE2 GLN 87 -6.958 15.951 13.676 690 H LEU 88 H LEU 88 -11.671 17.364 7.345 691 HA LEU 88 HA LEU 88 -13.587 18.913 8.836 692 HB2 LEU 88 1HB LEU 88 -13.758 17.814 6.018 693 HB3 LEU 88 2HB LEU 88 -14.756 19.095 6.708 694 HG LEU 88 HG LEU 88 -11.763 19.220 6.160 695 HD11 LEU 88 1HD1 LEU 88 -13.234 19.390 4.189 696 HD12 LEU 88 2HD1 LEU 88 -12.415 20.927 4.526 697 HD13 LEU 88 3HD1 LEU 88 -14.126 20.716 4.971 698 HD21 LEU 88 1HD2 LEU 88 -13.593 21.336 7.375 699 HD22 LEU 88 2HD2 LEU 88 -11.944 21.631 6.779 700 HD23 LEU 88 3HD2 LEU 88 -12.196 20.564 8.163 701 H HIS 89 H HIS 89 -13.653 15.558 7.735 702 HA HIS 89 HA HIS 89 -16.204 15.008 9.153 703 HB2 HIS 89 1HB HIS 89 -15.744 14.546 6.174 704 HB3 HIS 89 2HB HIS 89 -17.080 13.864 7.092 705 HD2 HIS 89 2HD HIS 89 -15.970 17.089 5.407 706 HE1 HIS 89 1HE HIS 89 -19.771 17.930 7.151 707 HE2 HIS 89 2HE HIS 89 -17.967 18.804 5.580 708 H GLU 90 H GLU 90 -16.727 12.685 9.186 709 HA GLU 90 HA GLU 90 -14.546 10.773 8.656 710 HB2 GLU 90 1HB GLU 90 -14.078 11.528 10.927 711 HB3 GLU 90 2HB GLU 90 -15.746 11.198 11.422 712 HG2 GLU 90 1HG GLU 90 -15.433 8.811 11.144 713 HG3 GLU 90 2HG GLU 90 -13.882 9.057 10.334 714 H ARG 91 H ARG 91 -15.278 8.728 8.176 715 HA ARG 91 HA ARG 91 -18.112 8.466 7.523 716 HB2 ARG 91 1HB ARG 91 -16.187 7.817 6.030 717 HB3 ARG 91 2HB ARG 91 -15.883 6.442 7.097 718 HG2 ARG 91 1HG ARG 91 -18.185 5.581 6.603 719 HG3 ARG 91 2HG ARG 91 -18.509 7.020 5.633 720 HD2 ARG 91 1HD ARG 91 -18.000 5.171 4.173 721 HD3 ARG 91 2HD ARG 91 -16.724 6.373 4.049 722 HE ARG 91 HE ARG 91 -16.576 3.734 5.479 723 HH11 ARG 91 1HH1 ARG 91 -14.783 6.384 4.033 724 HH12 ARG 91 2HH1 ARG 91 -13.261 5.554 4.204 725 HH21 ARG 91 1HH2 ARG 91 -14.607 2.746 5.654 726 HH22 ARG 91 2HH2 ARG 91 -13.172 3.553 5.094 727 H ILE 92 H ILE 92 -18.520 8.704 9.926 728 HA ILE 92 HA ILE 92 -18.244 6.501 11.718 729 HB ILE 92 HB ILE 92 -19.890 7.628 13.104 730 HG12 ILE 92 1HG1 ILE 92 -20.325 9.587 10.803 731 HG13 ILE 92 2HG1 ILE 92 -21.469 8.338 11.297 732 HG21 ILE 92 1HG2 ILE 92 -17.501 8.382 12.989 733 HG22 ILE 92 2HG2 ILE 92 -18.000 9.677 11.879 734 HG23 ILE 92 3HG2 ILE 92 -18.624 9.626 13.537 735 HD11 ILE 92 1HD1 ILE 92 -20.593 10.719 12.973 736 HD12 ILE 92 2HD1 ILE 92 -22.175 10.437 12.232 737 HD13 ILE 92 3HD1 ILE 92 -21.627 9.390 13.557 738 H GLN 93 H GLN 93 -20.249 6.615 9.000 739 HA GLN 93 HA GLN 93 -22.535 5.135 9.835 740 HB2 GLN 93 1HB GLN 93 -21.173 5.131 7.111 741 HB3 GLN 93 2HB GLN 93 -22.843 4.686 7.445 742 HG2 GLN 93 1HG GLN 93 -21.622 7.471 7.689 743 HG3 GLN 93 2HG GLN 93 -22.716 6.910 6.440 744 HE21 GLN 93 1HE2 GLN 93 -23.161 9.225 8.134 745 HE22 GLN 93 2HE2 GLN 93 -24.620 8.875 9.052 746 H SER 94 H SER 94 -19.276 4.035 9.623 747 HA SER 94 HA SER 94 -19.697 1.239 9.103 748 HB2 SER 94 1HB SER 94 -17.487 0.976 10.132 749 HB3 SER 94 2HB SER 94 -17.507 2.327 8.991 750 HG SER 94 HG SER 94 -17.350 2.361 11.812 751 H SER 95 H SER 95 -20.424 3.203 11.920 752 HA SER 95 HA SER 95 -20.415 1.113 13.903 753 HB2 SER 95 1HB SER 95 -21.699 2.671 15.267 754 HB3 SER 95 2HB SER 95 -20.315 3.473 14.514 755 HG SER 95 HG SER 95 -21.642 4.538 13.139 756 H SER 96 H SER 96 -22.988 2.334 11.750 757 HA SER 96 HA SER 96 -24.282 -0.236 11.668 758 HB2 SER 96 1HB SER 96 -25.281 0.521 13.789 759 HB3 SER 96 2HB SER 96 -25.819 2.024 13.014 760 HG SER 96 HG SER 96 -27.422 0.300 13.141 761 H MET 97 H MET 97 -25.250 -0.456 9.720 762 HA MET 97 HA MET 97 -25.225 1.705 7.794 763 HB2 MET 97 1HB MET 97 -24.769 -0.674 7.250 764 HB3 MET 97 2HB MET 97 -26.440 -1.084 7.654 765 HG2 MET 97 1HG MET 97 -26.219 -0.938 5.270 766 HG3 MET 97 2HG MET 97 -27.235 0.391 5.813 767 HE1 MET 97 1HE MET 97 -27.001 1.561 3.465 768 HE2 MET 97 2HE MET 97 -25.448 1.872 2.657 769 HE3 MET 97 3HE MET 97 -26.001 0.201 2.905 770 H ASP 98 H ASP 98 -27.774 0.207 9.762 771 HA ASP 98 HA ASP 98 -29.577 2.457 9.358 772 HB2 ASP 98 1HB ASP 98 -30.076 1.143 7.327 773 HB3 ASP 98 2HB ASP 98 -30.350 -0.299 8.302 774 H ALA 99 H ALA 99 -30.080 2.822 11.453 775 HA ALA 99 HA ALA 99 -30.177 0.720 13.464 776 HB1 ALA 99 1HB ALA 99 -29.270 2.938 13.963 777 HB2 ALA 99 2HB ALA 99 -30.837 3.692 13.589 778 HB3 ALA 99 3HB ALA 99 -30.682 2.598 14.980 779 H LYS 100 H LYS 100 -31.825 -0.704 13.210 780 HA LYS 100 HA LYS 100 -34.563 -0.026 12.544 781 HB2 LYS 100 1HB LYS 100 -33.525 -2.512 13.972 782 HB3 LYS 100 2HB LYS 100 -35.076 -2.336 13.159 783 HG2 LYS 100 1HG LYS 100 -32.330 -2.400 11.843 784 HG3 LYS 100 2HG LYS 100 -33.568 -3.654 11.810 785 HD2 LYS 100 1HD LYS 100 -35.087 -2.073 10.570 786 HD3 LYS 100 2HD LYS 100 -33.749 -0.900 10.510 787 HE2 LYS 100 1HE LYS 100 -32.337 -2.615 9.362 788 HE3 LYS 100 2HE LYS 100 -33.715 -3.725 9.359 789 HZ1 LYS 100 1HZ LYS 100 -33.567 -2.543 7.255 790 HZ2 LYS 100 2HZ LYS 100 -33.590 -1.086 7.992 791 HZ3 LYS 100 3HZ LYS 100 -34.925 -2.045 8.018 792 H LEU 101 H LEU 101 -36.401 0.069 13.830 793 HA LEU 101 HA LEU 101 -36.064 1.263 16.450 794 HB2 LEU 101 1HB LEU 101 -38.572 0.322 15.008 795 HB3 LEU 101 2HB LEU 101 -38.545 1.327 16.453 796 HG LEU 101 HG LEU 101 -37.452 2.137 13.721 797 HD11 LEU 101 1HD1 LEU 101 -39.368 3.668 13.669 798 HD12 LEU 101 2HD1 LEU 101 -39.934 3.044 15.235 799 HD13 LEU 101 3HD1 LEU 101 -39.912 1.989 13.804 800 HD21 LEU 101 1HD2 LEU 101 -37.319 4.416 14.712 801 HD22 LEU 101 2HD2 LEU 101 -36.205 3.292 15.493 802 HD23 LEU 101 3HD2 LEU 101 -37.726 3.738 16.305 803 H GLU 102 H GLU 102 -36.842 -1.942 15.369 804 HA GLU 102 HA GLU 102 -36.418 -3.027 18.084 805 HB2 GLU 102 1HB GLU 102 -38.792 -3.889 16.363 806 HB3 GLU 102 2HB GLU 102 -38.232 -4.654 17.833 807 HG2 GLU 102 1HG GLU 102 -40.006 -3.464 18.620 808 HG3 GLU 102 2HG GLU 102 -38.652 -2.431 19.044 809 H ALA 103 H ALA 103 -35.713 -5.258 18.065 810 HA ALA 103 HA ALA 103 -34.163 -6.048 15.736 811 HB1 ALA 103 1HB ALA 103 -34.817 -7.503 18.335 812 HB2 ALA 103 2HB ALA 103 -33.612 -8.010 17.131 813 HB3 ALA 103 3HB ALA 103 -33.389 -6.490 18.018 814 H LEU 104 H LEU 104 -35.212 -6.681 13.956 815 HA LEU 104 HA LEU 104 -37.727 -8.177 14.033 816 HB2 LEU 104 1HB LEU 104 -37.852 -7.769 11.684 817 HB3 LEU 104 2HB LEU 104 -37.394 -6.304 12.521 818 HG LEU 104 HG LEU 104 -34.896 -7.167 11.843 819 HD11 LEU 104 1HD1 LEU 104 -35.726 -9.187 10.625 820 HD12 LEU 104 2HD1 LEU 104 -34.930 -8.044 9.542 821 HD13 LEU 104 3HD1 LEU 104 -36.703 -8.139 9.577 822 HD21 LEU 104 1HD2 LEU 104 -35.847 -4.966 11.321 823 HD22 LEU 104 2HD2 LEU 104 -36.805 -5.676 10.001 824 HD23 LEU 104 3HD2 LEU 104 -35.028 -5.655 9.909 825 H LYS 105 H LYS 105 -38.139 -10.163 13.111 826 HA LYS 105 HA LYS 105 -36.101 -11.962 12.100 827 HB2 LYS 105 1HB LYS 105 -36.410 -13.707 13.846 828 HB3 LYS 105 2HB LYS 105 -35.515 -12.316 14.405 829 HG2 LYS 105 1HG LYS 105 -38.490 -12.348 14.931 830 HG3 LYS 105 2HG LYS 105 -37.481 -13.480 15.833 831 HD2 LYS 105 1HD LYS 105 -36.143 -11.727 16.782 832 HD3 LYS 105 2HD LYS 105 -36.859 -10.512 15.720 833 HE2 LYS 105 1HE LYS 105 -39.085 -10.919 16.767 834 HE3 LYS 105 2HE LYS 105 -38.322 -12.038 17.908 835 HZ1 LYS 105 1HZ LYS 105 -36.977 -10.204 18.730 836 HZ2 LYS 105 2HZ LYS 105 -38.543 -9.740 18.785 837 HZ3 LYS 105 3HZ LYS 105 -37.558 -9.177 17.597 838 H ASP 106 H ASP 106 -36.953 -13.988 11.398 839 HA ASP 106 HA ASP 106 -39.916 -14.210 11.178 840 HB2 ASP 106 1HB ASP 106 -39.781 -14.635 8.815 841 HB3 ASP 106 2HB ASP 106 -39.089 -13.066 9.186 842 H LEU 107 H LEU 107 -37.504 -15.731 12.537 843 HA LEU 107 HA LEU 107 -37.578 -18.396 11.444 844 HB2 LEU 107 1HB LEU 107 -35.692 -17.397 12.675 845 HB3 LEU 107 2HB LEU 107 -36.645 -17.328 14.141 846 HG LEU 107 HG LEU 107 -34.915 -19.104 14.023 847 HD11 LEU 107 1HD1 LEU 107 -36.869 -19.304 15.566 848 HD12 LEU 107 2HD1 LEU 107 -36.106 -20.834 15.109 849 HD13 LEU 107 3HD1 LEU 107 -37.644 -20.376 14.377 850 HD21 LEU 107 1HD2 LEU 107 -35.206 -19.739 11.645 851 HD22 LEU 107 2HD2 LEU 107 -36.742 -20.536 12.061 852 HD23 LEU 107 3HD2 LEU 107 -35.220 -21.124 12.750 853 H ALA 108 H ALA 108 -38.958 -20.020 11.794 854 HA ALA 108 HA ALA 108 -40.665 -20.170 14.186 855 HB1 ALA 108 1HB ALA 108 -42.722 -20.436 12.842 856 HB2 ALA 108 2HB ALA 108 -42.002 -18.838 12.583 857 HB3 ALA 108 3HB ALA 108 -41.806 -20.109 11.355 858 H SER 109 H SER 109 -41.774 -22.270 14.357 859 HA SER 109 HA SER 109 -40.782 -24.521 12.736 860 HB2 SER 109 1HB SER 109 -39.867 -25.726 14.653 861 HB3 SER 109 2HB SER 109 -38.993 -24.208 14.400 862 HG SER 109 HG SER 109 -39.584 -24.672 16.627 863 H LEU 110 H LEU 110 -41.811 -26.560 13.267 864 HA LEU 110 HA LEU 110 -44.642 -26.284 13.709 865 HB2 LEU 110 1HB LEU 110 -43.618 -27.862 12.118 866 HB3 LEU 110 2HB LEU 110 -42.819 -28.708 13.443 867 HG LEU 110 HG LEU 110 -45.030 -29.430 14.330 868 HD11 LEU 110 1HD1 LEU 110 -46.483 -27.624 13.483 869 HD12 LEU 110 2HD1 LEU 110 -47.041 -29.189 12.887 870 HD13 LEU 110 3HD1 LEU 110 -46.133 -28.107 11.807 871 HD21 LEU 110 1HD2 LEU 110 -43.773 -30.854 12.764 872 HD22 LEU 110 2HD2 LEU 110 -44.586 -30.074 11.388 873 HD23 LEU 110 3HD2 LEU 110 -45.520 -31.044 12.550 874 H SER 111 H SER 111 -41.982 -27.357 15.791 875 HA SER 111 HA SER 111 -43.644 -27.298 18.201 876 HB2 SER 111 1HB SER 111 -43.181 -29.628 18.833 877 HB3 SER 111 2HB SER 111 -44.143 -29.545 17.353 878 HG SER 111 HG SER 111 -42.420 -31.067 17.208 879 H ARG 112 H ARG 112 -42.379 -27.765 20.163 880 HA ARG 112 HA ARG 112 -39.815 -26.393 20.180 881 HB2 ARG 112 1HB ARG 112 -41.253 -27.979 22.355 882 HB3 ARG 112 2HB ARG 112 -39.835 -26.971 22.613 883 HG2 ARG 112 1HG ARG 112 -42.566 -25.961 21.700 884 HG3 ARG 112 2HG ARG 112 -41.903 -25.868 23.333 885 HD2 ARG 112 1HD ARG 112 -40.018 -24.477 22.475 886 HD3 ARG 112 2HD ARG 112 -40.771 -24.489 20.865 887 HE ARG 112 HE ARG 112 -42.743 -23.600 22.665 888 HH11 ARG 112 1HH1 ARG 112 -39.656 -22.385 21.536 889 HH12 ARG 112 2HH1 ARG 112 -40.107 -20.724 21.810 890 HH21 ARG 112 1HH2 ARG 112 -43.253 -21.465 22.989 891 HH22 ARG 112 2HH2 ARG 112 -42.095 -20.224 22.610 892 H ASP 113 H ASP 113 -37.831 -27.150 20.905 893 HA ASP 113 HA ASP 113 -36.933 -29.704 19.847 894 HB2 ASP 113 1HB ASP 113 -34.743 -28.987 20.726 895 HB3 ASP 113 2HB ASP 113 -35.488 -27.807 19.666 Start of MODEL 2 1 H1 GLY 0 1H GLY 0 0.747 -21.901 -20.914 2 H2 GLY 0 2H GLY 0 2.016 -21.563 -21.894 3 H3 GLY 0 3H GLY 0 0.552 -20.899 -22.196 4 HA2 GLY 0 1HA GLY 0 0.632 -19.629 -20.149 5 HA3 GLY 0 2HA GLY 0 2.224 -20.341 -19.833 6 H MET 1 H MET 1 2.829 -18.024 -19.709 7 HA MET 1 HA MET 1 3.899 -17.076 -22.280 8 HB2 MET 1 1HB MET 1 1.670 -16.026 -22.122 9 HB3 MET 1 2HB MET 1 2.093 -15.356 -20.543 10 HG2 MET 1 1HG MET 1 3.894 -14.013 -21.606 11 HG3 MET 1 2HG MET 1 3.510 -14.745 -23.164 12 HE1 MET 1 1HE MET 1 2.546 -12.186 -20.409 13 HE2 MET 1 2HE MET 1 0.943 -11.608 -20.914 14 HE3 MET 1 3HE MET 1 1.127 -13.251 -20.270 15 HA PRO 2 HA PRO 2 7.294 -16.174 -19.491 16 HB2 PRO 2 1HB PRO 2 8.021 -14.051 -21.511 17 HB3 PRO 2 2HB PRO 2 9.071 -15.283 -20.745 18 HG2 PRO 2 1HG PRO 2 8.186 -15.650 -23.272 19 HG3 PRO 2 2HG PRO 2 8.149 -17.021 -22.112 20 HD2 PRO 2 1HD PRO 2 5.877 -15.179 -22.916 21 HD3 PRO 2 2HD PRO 2 5.904 -16.965 -22.794 22 HA PRO 3 HA PRO 3 6.065 -12.478 -17.225 23 HB2 PRO 3 1HB PRO 3 8.250 -11.995 -15.650 24 HB3 PRO 3 2HB PRO 3 7.168 -13.400 -15.405 25 HG2 PRO 3 1HG PRO 3 9.795 -13.322 -16.931 26 HG3 PRO 3 2HG PRO 3 9.291 -14.483 -15.660 27 HD2 PRO 3 1HD PRO 3 9.040 -15.052 -18.309 28 HD3 PRO 3 2HD PRO 3 7.807 -15.588 -17.128 29 HA PRO 4 HA PRO 4 7.650 -8.917 -19.405 30 HB2 PRO 4 1HB PRO 4 7.687 -7.458 -16.762 31 HB3 PRO 4 2HB PRO 4 6.979 -6.945 -18.325 32 HG2 PRO 4 1HG PRO 4 5.380 -7.898 -16.363 33 HG3 PRO 4 2HG PRO 4 5.126 -8.435 -18.056 34 HD2 PRO 4 1HD PRO 4 6.599 -9.880 -15.832 35 HD3 PRO 4 2HD PRO 4 5.379 -10.508 -16.980 36 H ALA 5 H ALA 5 9.592 -7.921 -19.948 37 HA ALA 5 HA ALA 5 12.016 -8.553 -18.418 38 HB1 ALA 5 1HB ALA 5 13.160 -7.504 -20.332 39 HB2 ALA 5 2HB ALA 5 11.969 -8.690 -20.894 40 HB3 ALA 5 3HB ALA 5 11.603 -6.950 -20.982 41 H ASP 6 H ASP 6 9.732 -6.236 -18.116 42 HA ASP 6 HA ASP 6 11.332 -3.844 -17.685 43 HB2 ASP 6 1HB ASP 6 8.380 -4.296 -17.144 44 HB3 ASP 6 2HB ASP 6 9.205 -2.750 -17.359 45 H ILE 7 H ILE 7 12.076 -5.938 -15.857 46 HA ILE 7 HA ILE 7 11.035 -4.977 -13.223 47 HB ILE 7 HB ILE 7 11.906 -7.795 -13.898 48 HG12 ILE 7 1HG1 ILE 7 9.114 -6.588 -13.742 49 HG13 ILE 7 2HG1 ILE 7 9.873 -7.305 -15.153 50 HG21 ILE 7 1HG2 ILE 7 10.481 -6.661 -11.448 51 HG22 ILE 7 2HG2 ILE 7 10.924 -8.362 -11.709 52 HG23 ILE 7 3HG2 ILE 7 12.186 -7.169 -11.513 53 HD11 ILE 7 1HD1 ILE 7 8.904 -8.777 -12.687 54 HD12 ILE 7 2HD1 ILE 7 8.280 -8.860 -14.338 55 HD13 ILE 7 3HD1 ILE 7 9.886 -9.524 -13.977 56 H VAL 8 H VAL 8 12.410 -4.439 -11.651 57 HA VAL 8 HA VAL 8 15.332 -4.959 -11.957 58 HB VAL 8 HB VAL 8 15.732 -2.662 -11.094 59 HG11 VAL 8 1HG1 VAL 8 16.064 -3.262 -13.463 60 HG12 VAL 8 2HG1 VAL 8 14.383 -2.801 -13.815 61 HG13 VAL 8 3HG1 VAL 8 15.547 -1.577 -13.278 62 HG21 VAL 8 1HG2 VAL 8 14.067 -0.893 -11.488 63 HG22 VAL 8 2HG2 VAL 8 12.840 -2.110 -11.868 64 HG23 VAL 8 3HG2 VAL 8 13.533 -2.017 -10.235 65 H LYS 9 H LYS 9 16.370 -5.620 -10.205 66 HA LYS 9 HA LYS 9 14.949 -6.088 -7.696 67 HB2 LYS 9 1HB LYS 9 16.612 -7.654 -8.718 68 HB3 LYS 9 2HB LYS 9 17.892 -6.484 -8.367 69 HG2 LYS 9 1HG LYS 9 17.415 -6.682 -5.940 70 HG3 LYS 9 2HG LYS 9 16.065 -7.784 -6.289 71 HD2 LYS 9 1HD LYS 9 17.651 -9.400 -7.309 72 HD3 LYS 9 2HD LYS 9 19.000 -8.298 -6.957 73 HE2 LYS 9 1HE LYS 9 18.495 -8.453 -4.533 74 HE3 LYS 9 2HE LYS 9 17.134 -9.531 -4.877 75 HZ1 LYS 9 1HZ LYS 9 19.983 -10.140 -5.481 76 HZ2 LYS 9 2HZ LYS 9 18.726 -11.132 -5.805 77 HZ3 LYS 9 3HZ LYS 9 19.120 -10.792 -4.260 78 H VAL 10 H VAL 10 15.129 -5.039 -5.775 79 HA VAL 10 HA VAL 10 17.003 -2.748 -5.474 80 HB VAL 10 HB VAL 10 15.282 -1.264 -4.665 81 HG11 VAL 10 1HG1 VAL 10 14.229 -0.645 -6.705 82 HG12 VAL 10 2HG1 VAL 10 15.825 -1.295 -7.114 83 HG13 VAL 10 3HG1 VAL 10 14.370 -2.281 -7.376 84 HG21 VAL 10 1HG2 VAL 10 13.226 -3.388 -5.395 85 HG22 VAL 10 2HG2 VAL 10 13.626 -2.815 -3.759 86 HG23 VAL 10 3HG2 VAL 10 12.878 -1.718 -4.909 87 H ALA 11 H ALA 11 17.249 -1.991 -3.327 88 HA ALA 11 HA ALA 11 16.433 -3.892 -1.158 89 HB1 ALA 11 1HB ALA 11 18.896 -3.867 -1.515 90 HB2 ALA 11 2HB ALA 11 18.902 -2.110 -1.260 91 HB3 ALA 11 3HB ALA 11 18.429 -3.200 0.064 92 H ILE 12 H ILE 12 15.395 -2.969 0.615 93 HA ILE 12 HA ILE 12 14.841 -0.035 0.491 94 HB ILE 12 HB ILE 12 12.851 -2.169 1.258 95 HG12 ILE 12 1HG1 ILE 12 13.068 -0.689 -1.401 96 HG13 ILE 12 2HG1 ILE 12 13.475 -2.387 -1.162 97 HG21 ILE 12 1HG2 ILE 12 11.222 -0.349 1.181 98 HG22 ILE 12 2HG2 ILE 12 12.532 0.176 2.209 99 HG23 ILE 12 3HG2 ILE 12 12.440 0.777 0.546 100 HD11 ILE 12 1HD1 ILE 12 10.715 -1.230 -0.788 101 HD12 ILE 12 2HD1 ILE 12 11.290 -2.191 -2.152 102 HD13 ILE 12 3HD1 ILE 12 11.194 -2.929 -0.535 103 H GLU 13 H GLU 13 15.321 1.059 2.205 104 HA GLU 13 HA GLU 13 15.943 -0.195 4.800 105 HB2 GLU 13 1HB GLU 13 16.013 2.694 3.861 106 HB3 GLU 13 2HB GLU 13 16.571 2.143 5.429 107 HG2 GLU 13 1HG GLU 13 17.749 1.335 2.730 108 HG3 GLU 13 2HG GLU 13 18.408 2.541 3.826 109 H TRP 14 H TRP 14 14.903 0.095 6.711 110 HA TRP 14 HA TRP 14 12.811 2.062 7.082 111 HB2 TRP 14 1HB TRP 14 11.475 0.282 6.139 112 HB3 TRP 14 2HB TRP 14 12.168 -0.896 7.251 113 HD1 TRP 14 HD TRP 14 10.931 -1.278 9.434 114 HE1 TRP 14 1HE TRP 14 8.962 -0.208 10.687 115 HE3 TRP 14 3HE TRP 14 10.328 2.893 6.546 116 HZ2 TRP 14 2HZ TRP 14 7.351 2.183 10.476 117 HZ3 TRP 14 3HZ TRP 14 8.612 4.589 7.128 118 HH2 TRP 14 HH TRP 14 7.115 4.244 9.084 119 HA PRO 15 HA PRO 15 14.982 2.037 10.903 120 HB2 PRO 15 1HB PRO 15 12.461 2.980 12.259 121 HB3 PRO 15 2HB PRO 15 14.112 3.674 12.324 122 HG2 PRO 15 1HG PRO 15 12.235 4.829 10.762 123 HG3 PRO 15 2HG PRO 15 13.889 4.577 10.104 124 HD2 PRO 15 1HD PRO 15 11.443 2.821 9.753 125 HD3 PRO 15 2HD PRO 15 12.521 3.475 8.491 126 H GLY 16 H GLY 16 15.489 0.706 12.593 127 HA2 GLY 16 1HA GLY 16 15.380 -0.997 14.130 128 HA3 GLY 16 2HA GLY 16 13.624 -0.825 14.148 129 H ALA 17 H ALA 17 14.936 -1.525 11.014 130 HA ALA 17 HA ALA 17 14.461 -4.455 11.282 131 HB1 ALA 17 1HB ALA 17 12.359 -3.329 10.542 132 HB2 ALA 17 2HB ALA 17 13.238 -2.658 9.143 133 HB3 ALA 17 3HB ALA 17 13.038 -4.411 9.312 134 H TYR 18 H TYR 18 15.322 -5.752 9.613 135 HA TYR 18 HA TYR 18 17.847 -4.917 8.488 136 HB2 TYR 18 1HB TYR 18 16.135 -7.360 7.924 137 HB3 TYR 18 2HB TYR 18 17.805 -7.147 7.416 138 HD1 TYR 18 1HD TYR 18 19.599 -6.782 9.260 139 HD2 TYR 18 2HD TYR 18 15.649 -8.345 10.037 140 HE1 TYR 18 1HE TYR 18 20.403 -7.743 11.410 141 HE2 TYR 18 2HE TYR 18 16.458 -9.303 12.192 142 HH TYR 18 HH TYR 18 19.855 -8.940 13.286 143 HA PRO 19 HA PRO 19 16.417 -3.185 4.647 144 HB2 PRO 19 1HB PRO 19 18.672 -4.600 3.250 145 HB3 PRO 19 2HB PRO 19 18.224 -2.868 3.223 146 HG2 PRO 19 1HG PRO 19 20.332 -3.738 4.708 147 HG3 PRO 19 2HG PRO 19 19.210 -2.502 5.362 148 HD2 PRO 19 1HD PRO 19 19.235 -5.479 5.914 149 HD3 PRO 19 2HD PRO 19 19.095 -4.106 7.056 150 H LYS 20 H LYS 20 14.752 -3.817 3.387 151 HA LYS 20 HA LYS 20 14.247 -6.694 2.886 152 HB2 LYS 20 1HB LYS 20 12.415 -5.398 3.717 153 HB3 LYS 20 2HB LYS 20 12.577 -4.195 2.427 154 HG2 LYS 20 1HG LYS 20 11.868 -5.778 0.752 155 HG3 LYS 20 2HG LYS 20 11.956 -7.128 1.904 156 HD2 LYS 20 1HD LYS 20 10.086 -6.188 3.196 157 HD3 LYS 20 2HD LYS 20 10.064 -4.750 2.172 158 HE2 LYS 20 1HE LYS 20 8.252 -6.242 1.532 159 HE3 LYS 20 2HE LYS 20 9.414 -6.085 0.214 160 HZ1 LYS 20 1HZ LYS 20 9.319 -8.393 2.095 161 HZ2 LYS 20 2HZ LYS 20 10.309 -8.260 0.799 162 HZ3 LYS 20 3HZ LYS 20 8.698 -8.397 0.586 163 H LEU 21 H LEU 21 15.125 -7.645 1.194 164 HA LEU 21 HA LEU 21 15.691 -6.219 -1.332 165 HB2 LEU 21 1HB LEU 21 16.027 -9.107 -0.438 166 HB3 LEU 21 2HB LEU 21 16.403 -8.545 -2.063 167 HG LEU 21 HG LEU 21 17.729 -7.387 0.429 168 HD11 LEU 21 1HD1 LEU 21 18.246 -9.786 0.253 169 HD12 LEU 21 2HD1 LEU 21 19.663 -8.801 -0.140 170 HD13 LEU 21 3HD1 LEU 21 18.731 -9.572 -1.444 171 HD21 LEU 21 1HD2 LEU 21 18.518 -7.313 -2.521 172 HD22 LEU 21 2HD2 LEU 21 19.425 -6.597 -1.170 173 HD23 LEU 21 3HD2 LEU 21 17.836 -5.958 -1.607 174 H MET 22 H MET 22 14.413 -6.251 -3.100 175 HA MET 22 HA MET 22 12.335 -8.256 -3.528 176 HB2 MET 22 1HB MET 22 10.423 -6.869 -3.384 177 HB3 MET 22 2HB MET 22 11.288 -6.630 -1.876 178 HG2 MET 22 1HG MET 22 11.188 -4.472 -2.186 179 HG3 MET 22 2HG MET 22 12.335 -4.627 -3.499 180 HE1 MET 22 1HE MET 22 8.415 -5.796 -3.468 181 HE2 MET 22 2HE MET 22 8.727 -4.475 -2.323 182 HE3 MET 22 3HE MET 22 7.743 -4.185 -3.769 183 H GLU 23 H GLU 23 10.901 -7.383 -5.540 184 HA GLU 23 HA GLU 23 12.736 -6.132 -7.539 185 HB2 GLU 23 1HB GLU 23 11.078 -8.649 -7.788 186 HB3 GLU 23 2HB GLU 23 11.616 -7.715 -9.188 187 HG2 GLU 23 1HG GLU 23 13.937 -8.052 -8.661 188 HG3 GLU 23 2HG GLU 23 13.554 -8.724 -7.077 189 H ILE 24 H ILE 24 11.966 -4.377 -8.350 190 HA ILE 24 HA ILE 24 9.079 -3.694 -8.236 191 HB ILE 24 HB ILE 24 11.601 -2.110 -8.815 192 HG12 ILE 24 1HG1 ILE 24 9.407 -1.981 -6.695 193 HG13 ILE 24 2HG1 ILE 24 11.056 -2.552 -6.468 194 HG21 ILE 24 1HG2 ILE 24 9.905 -1.314 -10.438 195 HG22 ILE 24 2HG2 ILE 24 8.738 -1.101 -9.114 196 HG23 ILE 24 3HG2 ILE 24 10.210 -0.113 -9.207 197 HD11 ILE 24 1HD1 ILE 24 11.883 -0.236 -6.975 198 HD12 ILE 24 2HD1 ILE 24 10.187 0.315 -6.975 199 HD13 ILE 24 3HD1 ILE 24 10.892 -0.374 -5.509 200 H ASP 25 H ASP 25 7.873 -4.415 -9.819 201 HA ASP 25 HA ASP 25 8.889 -4.670 -12.603 202 HB2 ASP 25 1HB ASP 25 7.516 -6.487 -11.685 203 HB3 ASP 25 2HB ASP 25 6.220 -5.351 -11.332 204 H GLN 26 H GLN 26 8.823 -2.921 -13.872 205 HA GLN 26 HA GLN 26 7.544 -0.486 -13.039 206 HB2 GLN 26 1HB GLN 26 8.767 -1.208 -15.703 207 HB3 GLN 26 2HB GLN 26 8.330 0.418 -15.195 208 HG2 GLN 26 1HG GLN 26 10.412 -1.300 -13.750 209 HG3 GLN 26 2HG GLN 26 10.770 -0.154 -15.025 210 HE21 GLN 26 1HE2 GLN 26 12.203 0.869 -13.406 211 HE22 GLN 26 2HE2 GLN 26 11.464 2.050 -12.332 212 H LYS 27 H LYS 27 6.227 -3.194 -14.704 213 HA LYS 27 HA LYS 27 3.958 -1.647 -15.848 214 HB2 LYS 27 1HB LYS 27 4.611 -4.623 -15.830 215 HB3 LYS 27 2HB LYS 27 3.195 -3.918 -16.602 216 HG2 LYS 27 1HG LYS 27 5.991 -3.048 -17.385 217 HG3 LYS 27 2HG LYS 27 5.201 -4.469 -18.081 218 HD2 LYS 27 1HD LYS 27 3.357 -3.151 -18.942 219 HD3 LYS 27 2HD LYS 27 3.897 -1.717 -18.068 220 HE2 LYS 27 1HE LYS 27 4.478 -1.470 -20.364 221 HE3 LYS 27 2HE LYS 27 5.945 -1.620 -19.382 222 HZ1 LYS 27 1HZ LYS 27 5.957 -2.948 -21.483 223 HZ2 LYS 27 2HZ LYS 27 4.776 -3.903 -20.881 224 HZ3 LYS 27 3HZ LYS 27 6.261 -3.834 -20.159 225 H LYS 28 H LYS 28 4.678 -3.143 -12.819 226 HA LYS 28 HA LYS 28 1.832 -3.518 -12.059 227 HB2 LYS 28 1HB LYS 28 4.465 -3.855 -10.578 228 HB3 LYS 28 2HB LYS 28 2.917 -3.821 -9.728 229 HG2 LYS 28 1HG LYS 28 2.093 -5.705 -11.127 230 HG3 LYS 28 2HG LYS 28 3.643 -5.748 -11.967 231 HD2 LYS 28 1HD LYS 28 3.644 -7.497 -10.332 232 HD3 LYS 28 2HD LYS 28 4.776 -6.257 -9.775 233 HE2 LYS 28 1HE LYS 28 3.067 -5.381 -8.208 234 HE3 LYS 28 2HE LYS 28 1.895 -6.562 -8.810 235 HZ1 LYS 28 1HZ LYS 28 3.353 -8.330 -7.975 236 HZ2 LYS 28 2HZ LYS 28 2.957 -7.315 -6.751 237 HZ3 LYS 28 3HZ LYS 28 4.431 -7.231 -7.408 238 HA PRO 29 HA PRO 29 1.308 0.667 -10.631 239 HB2 PRO 29 1HB PRO 29 -0.675 0.368 -8.750 240 HB3 PRO 29 2HB PRO 29 -0.965 0.247 -10.507 241 HG2 PRO 29 1HG PRO 29 -0.585 -1.986 -8.526 242 HG3 PRO 29 2HG PRO 29 -1.787 -1.871 -9.843 243 HD2 PRO 29 1HD PRO 29 0.543 -3.304 -10.041 244 HD3 PRO 29 2HD PRO 29 -0.229 -2.516 -11.443 245 H LEU 30 H LEU 30 2.191 1.957 -9.100 246 HA LEU 30 HA LEU 30 4.021 0.879 -7.194 247 HB2 LEU 30 1HB LEU 30 2.820 3.639 -7.592 248 HB3 LEU 30 2HB LEU 30 4.031 3.313 -6.351 249 HG LEU 30 HG LEU 30 4.529 2.656 -9.281 250 HD11 LEU 30 1HD1 LEU 30 5.135 5.216 -7.771 251 HD12 LEU 30 2HD1 LEU 30 4.030 5.013 -9.158 252 HD13 LEU 30 3HD1 LEU 30 5.777 4.792 -9.376 253 HD21 LEU 30 1HD2 LEU 30 6.907 2.822 -8.596 254 HD22 LEU 30 2HD2 LEU 30 6.068 1.563 -7.686 255 HD23 LEU 30 3HD2 LEU 30 6.401 3.127 -6.918 256 H SER 31 H SER 31 0.611 1.855 -6.776 257 HA SER 31 HA SER 31 0.486 1.738 -3.959 258 HB2 SER 31 1HB SER 31 -1.639 0.818 -5.939 259 HB3 SER 31 2HB SER 31 -1.899 1.314 -4.258 260 HG SER 31 HG SER 31 -2.339 3.020 -5.723 261 H ALA 32 H ALA 32 0.211 -0.982 -6.322 262 HA ALA 32 HA ALA 32 -0.243 -3.004 -4.286 263 HB1 ALA 32 1HB ALA 32 0.182 -4.578 -6.133 264 HB2 ALA 32 2HB ALA 32 -0.939 -3.303 -6.637 265 HB3 ALA 32 3HB ALA 32 0.764 -3.255 -7.162 266 H ILE 33 H ILE 33 2.664 -1.773 -5.971 267 HA ILE 33 HA ILE 33 4.546 -3.600 -4.786 268 HB ILE 33 HB ILE 33 4.873 -0.792 -5.903 269 HG12 ILE 33 1HG1 ILE 33 5.624 -3.472 -7.162 270 HG13 ILE 33 2HG1 ILE 33 4.069 -2.707 -7.446 271 HG21 ILE 33 1HG2 ILE 33 7.069 -2.818 -5.316 272 HG22 ILE 33 2HG2 ILE 33 7.275 -1.196 -6.008 273 HG23 ILE 33 3HG2 ILE 33 6.757 -1.370 -4.341 274 HD11 ILE 33 1HD1 ILE 33 5.572 -2.218 -9.276 275 HD12 ILE 33 2HD1 ILE 33 5.158 -0.726 -8.416 276 HD13 ILE 33 3HD1 ILE 33 6.747 -1.487 -8.176 277 H ILE 34 H ILE 34 3.550 -0.283 -3.749 278 HA ILE 34 HA ILE 34 5.134 -0.220 -1.381 279 HB ILE 34 HB ILE 34 2.596 1.226 -2.197 280 HG12 ILE 34 1HG1 ILE 34 5.411 2.353 -1.857 281 HG13 ILE 34 2HG1 ILE 34 4.924 1.590 -3.362 282 HG21 ILE 34 1HG2 ILE 34 2.613 1.232 0.258 283 HG22 ILE 34 2HG2 ILE 34 4.316 1.737 0.275 284 HG23 ILE 34 3HG2 ILE 34 3.046 2.822 -0.331 285 HD11 ILE 34 1HD1 ILE 34 4.661 3.987 -3.555 286 HD12 ILE 34 2HD1 ILE 34 3.067 3.212 -3.624 287 HD13 ILE 34 3HD1 ILE 34 3.590 4.035 -2.145 288 H LYS 35 H LYS 35 1.792 -1.480 -1.883 289 HA LYS 35 HA LYS 35 1.332 -2.282 0.823 290 HB2 LYS 35 1HB LYS 35 -0.358 -2.242 -1.040 291 HB3 LYS 35 2HB LYS 35 0.379 -3.688 -1.711 292 HG2 LYS 35 1HG LYS 35 -0.118 -4.938 0.365 293 HG3 LYS 35 2HG LYS 35 -0.812 -3.476 1.084 294 HD2 LYS 35 1HD LYS 35 -2.481 -3.414 -0.810 295 HD3 LYS 35 2HD LYS 35 -1.851 -4.961 -1.381 296 HE2 LYS 35 1HE LYS 35 -3.042 -4.455 1.390 297 HE3 LYS 35 2HE LYS 35 -3.947 -5.099 0.018 298 HZ1 LYS 35 1HZ LYS 35 -2.427 -7.007 -0.016 299 HZ2 LYS 35 2HZ LYS 35 -3.168 -6.890 1.430 300 HZ3 LYS 35 3HZ LYS 35 -1.611 -6.432 1.282 301 H GLU 36 H GLU 36 3.072 -4.015 -1.814 302 HA GLU 36 HA GLU 36 3.585 -6.388 -0.260 303 HB2 GLU 36 1HB GLU 36 4.634 -5.176 -2.833 304 HB3 GLU 36 2HB GLU 36 5.332 -6.633 -2.166 305 HG2 GLU 36 1HG GLU 36 3.267 -7.843 -2.338 306 HG3 GLU 36 2HG GLU 36 2.342 -6.374 -2.636 307 H VAL 37 H VAL 37 5.358 -3.307 -0.610 308 HA VAL 37 HA VAL 37 7.678 -4.161 0.922 309 HB VAL 37 HB VAL 37 6.563 -1.347 0.609 310 HG11 VAL 37 1HG1 VAL 37 8.162 -1.622 2.514 311 HG12 VAL 37 2HG1 VAL 37 9.349 -2.311 1.404 312 HG13 VAL 37 3HG1 VAL 37 8.823 -0.622 1.215 313 HG21 VAL 37 1HG2 VAL 37 7.181 -2.346 -1.578 314 HG22 VAL 37 2HG2 VAL 37 8.279 -1.058 -1.110 315 HG23 VAL 37 3HG2 VAL 37 8.768 -2.762 -0.931 316 H CYS 38 H CYS 38 4.743 -2.304 1.829 317 HA CYS 38 HA CYS 38 5.342 -2.083 4.586 318 HB2 CYS 38 1HB CYS 38 2.631 -2.084 3.189 319 HB3 CYS 38 2HB CYS 38 2.902 -1.579 4.845 320 HG CYS 38 HG CYS 38 4.058 -0.319 2.024 321 H ASP 39 H ASP 39 3.382 -4.626 2.943 322 HA ASP 39 HA ASP 39 2.694 -6.113 5.258 323 HB2 ASP 39 1HB ASP 39 1.717 -6.369 2.985 324 HB3 ASP 39 2HB ASP 39 3.233 -7.077 2.419 325 H GLY 40 H GLY 40 5.736 -6.045 3.435 326 HA2 GLY 40 1HA GLY 40 7.001 -8.386 4.480 327 HA3 GLY 40 2HA GLY 40 7.801 -6.933 3.858 328 H TRP 41 H TRP 41 6.470 -5.209 5.934 329 HA TRP 41 HA TRP 41 7.858 -6.100 8.426 330 HB2 TRP 41 1HB TRP 41 7.410 -3.312 7.325 331 HB3 TRP 41 2HB TRP 41 8.060 -3.665 8.917 332 HD1 TRP 41 HD TRP 41 10.252 -5.659 8.565 333 HE1 TRP 41 1HE TRP 41 12.384 -5.202 7.203 334 HE3 TRP 41 3HE TRP 41 8.494 -1.953 5.482 335 HZ2 TRP 41 2HZ TRP 41 13.260 -3.378 5.189 336 HZ3 TRP 41 3HZ TRP 41 10.030 -0.872 3.846 337 HH2 TRP 41 HH TRP 41 12.395 -1.563 3.702 338 H SER 42 H SER 42 4.954 -6.426 7.342 339 HA SER 42 HA SER 42 2.839 -6.410 8.074 340 HB2 SER 42 1HB SER 42 3.989 -7.819 9.785 341 HB3 SER 42 2HB SER 42 3.996 -6.424 10.875 342 HG SER 42 HG SER 42 1.726 -6.402 10.772 343 H LEU 43 H LEU 43 3.923 -3.781 7.543 344 HA LEU 43 HA LEU 43 2.810 -1.878 9.458 345 HB2 LEU 43 1HB LEU 43 4.006 -1.660 6.684 346 HB3 LEU 43 2HB LEU 43 3.363 -0.262 7.498 347 HG LEU 43 HG LEU 43 5.565 -2.051 8.656 348 HD11 LEU 43 1HD1 LEU 43 7.149 -0.347 7.923 349 HD12 LEU 43 2HD1 LEU 43 5.838 0.584 7.167 350 HD13 LEU 43 3HD1 LEU 43 6.286 -1.019 6.538 351 HD21 LEU 43 1HD2 LEU 43 4.666 0.773 9.389 352 HD22 LEU 43 2HD2 LEU 43 6.056 -0.090 10.083 353 HD23 LEU 43 3HD2 LEU 43 4.422 -0.689 10.373 354 H ALA 44 H ALA 44 0.787 -1.283 9.631 355 HA ALA 44 HA ALA 44 -1.285 -1.963 7.701 356 HB1 ALA 44 1HB ALA 44 -1.343 -0.252 10.228 357 HB2 ALA 44 2HB ALA 44 -2.757 -0.850 9.338 358 HB3 ALA 44 3HB ALA 44 -1.673 -1.999 10.144 359 H ASN 45 H ASN 45 -2.800 -0.326 6.907 360 HA ASN 45 HA ASN 45 -3.317 1.409 5.544 361 HB2 ASN 45 1HB ASN 45 -1.797 3.081 7.573 362 HB3 ASN 45 2HB ASN 45 -3.114 3.602 6.527 363 HD21 ASN 45 1HD2 ASN 45 -5.257 2.297 6.861 364 HD22 ASN 45 2HD2 ASN 45 -5.634 1.939 8.538 365 H HIS 46 H HIS 46 -1.411 0.119 4.244 366 HA HIS 46 HA HIS 46 0.955 1.493 3.515 367 HB2 HIS 46 1HB HIS 46 1.032 0.026 1.636 368 HB3 HIS 46 2HB HIS 46 0.385 -0.886 2.996 369 HD2 HIS 46 2HD HIS 46 -0.579 0.587 -0.407 370 HE1 HIS 46 1HE HIS 46 -4.009 -1.573 0.909 371 HE2 HIS 46 2HE HIS 46 -3.008 -0.255 -1.015 372 H GLU 47 H GLU 47 -2.340 2.207 2.590 373 HA GLU 47 HA GLU 47 -2.039 3.792 0.268 374 HB2 GLU 47 1HB GLU 47 -3.815 4.250 2.706 375 HB3 GLU 47 2HB GLU 47 -4.052 4.998 1.137 376 HG2 GLU 47 1HG GLU 47 -4.263 2.023 1.761 377 HG3 GLU 47 2HG GLU 47 -5.600 3.144 1.552 378 H TYR 48 H TYR 48 -1.114 4.541 3.612 379 HA TYR 48 HA TYR 48 -0.759 7.406 3.158 380 HB2 TYR 48 1HB TYR 48 0.294 5.618 5.374 381 HB3 TYR 48 2HB TYR 48 0.252 7.365 5.389 382 HD1 TYR 48 1HD TYR 48 -0.627 6.227 7.688 383 HD2 TYR 48 2HD TYR 48 -2.921 6.701 4.057 384 HE1 TYR 48 1HE TYR 48 -2.723 6.131 8.999 385 HE2 TYR 48 2HE TYR 48 -5.014 6.521 5.358 386 HH TYR 48 HH TYR 48 -5.026 6.173 8.932 387 H PHE 49 H PHE 49 1.149 4.645 2.364 388 HA PHE 49 HA PHE 49 3.730 5.959 2.908 389 HB2 PHE 49 1HB PHE 49 2.909 3.128 2.284 390 HB3 PHE 49 2HB PHE 49 4.577 3.650 2.190 391 HD1 PHE 49 1HD PHE 49 5.918 4.030 4.123 392 HD2 PHE 49 2HD PHE 49 1.690 3.308 4.546 393 HE1 PHE 49 1HE PHE 49 6.194 3.786 6.575 394 HE2 PHE 49 2HE PHE 49 1.979 3.020 6.989 395 HZ PHE 49 HZ PHE 49 4.235 3.267 8.014 396 H ALA 50 H ALA 50 5.453 5.940 1.508 397 HA ALA 50 HA ALA 50 5.068 5.590 -1.386 398 HB1 ALA 50 1HB ALA 50 6.149 7.792 -1.835 399 HB2 ALA 50 2HB ALA 50 4.569 7.972 -1.056 400 HB3 ALA 50 3HB ALA 50 6.059 8.182 -0.103 401 H LEU 51 H LEU 51 6.996 5.130 -2.464 402 HA LEU 51 HA LEU 51 9.334 4.392 -0.799 403 HB2 LEU 51 1HB LEU 51 8.498 3.929 -3.669 404 HB3 LEU 51 2HB LEU 51 10.187 3.746 -3.202 405 HG LEU 51 HG LEU 51 7.922 2.262 -1.803 406 HD11 LEU 51 1HD1 LEU 51 8.584 0.307 -3.163 407 HD12 LEU 51 2HD1 LEU 51 9.718 1.325 -4.077 408 HD13 LEU 51 3HD1 LEU 51 7.969 1.622 -4.176 409 HD21 LEU 51 1HD2 LEU 51 10.054 2.410 -0.510 410 HD22 LEU 51 2HD2 LEU 51 10.934 1.752 -1.907 411 HD23 LEU 51 3HD2 LEU 51 9.726 0.772 -1.053 412 H GLN 52 H GLN 52 11.368 5.245 -1.154 413 HA GLN 52 HA GLN 52 11.642 7.904 -2.451 414 HB2 GLN 52 1HB GLN 52 10.645 8.345 -0.287 415 HB3 GLN 52 2HB GLN 52 11.731 7.216 0.512 416 HG2 GLN 52 1HG GLN 52 12.356 9.477 1.053 417 HG3 GLN 52 2HG GLN 52 13.633 8.697 0.119 418 HE21 GLN 52 1HE2 GLN 52 10.809 10.952 -0.275 419 HE22 GLN 52 2HE2 GLN 52 11.556 11.823 -1.595 420 H HIS 53 H HIS 53 13.894 8.536 -2.670 421 HA HIS 53 HA HIS 53 15.716 6.231 -2.998 422 HB2 HIS 53 1HB HIS 53 15.809 9.154 -3.724 423 HB3 HIS 53 2HB HIS 53 17.304 8.225 -3.636 424 HD2 HIS 53 2HD HIS 53 14.120 8.509 -5.765 425 HE1 HIS 53 1HE HIS 53 16.616 5.634 -7.684 426 HE2 HIS 53 2HE HIS 53 14.507 7.043 -7.918 427 H ALA 54 H ALA 54 17.374 5.605 -1.739 428 HA ALA 54 HA ALA 54 17.781 6.891 0.875 429 HB1 ALA 54 1HB ALA 54 19.159 4.950 1.348 430 HB2 ALA 54 2HB ALA 54 17.622 4.428 0.637 431 HB3 ALA 54 3HB ALA 54 19.103 4.453 -0.354 432 H ASP 55 H ASP 55 18.398 8.657 -1.142 433 HA ASP 55 HA ASP 55 21.322 9.094 -0.928 434 HB2 ASP 55 1HB ASP 55 20.716 7.685 -2.991 435 HB3 ASP 55 2HB ASP 55 19.866 9.103 -3.601 436 H SER 56 H SER 56 21.838 11.265 -2.116 437 HA SER 56 HA SER 56 20.428 13.439 -0.893 438 HB2 SER 56 1HB SER 56 22.332 13.438 -3.269 439 HB3 SER 56 2HB SER 56 21.767 14.879 -2.409 440 HG SER 56 HG SER 56 23.386 12.760 -1.409 441 H SER 57 H SER 57 19.118 15.012 -1.718 442 HA SER 57 HA SER 57 17.268 15.843 -2.659 443 HB2 SER 57 1HB SER 57 18.050 14.446 -5.224 444 HB3 SER 57 2HB SER 57 16.771 15.654 -5.031 445 HG SER 57 HG SER 57 18.769 16.576 -5.730 446 H ASN 58 H ASN 58 15.401 15.294 -1.907 447 HA ASN 58 HA ASN 58 14.738 12.520 -1.454 448 HB2 ASN 58 1HB ASN 58 13.283 15.080 -0.686 449 HB3 ASN 58 2HB ASN 58 12.876 13.472 -0.106 450 HD21 ASN 58 1HD2 ASN 58 14.572 16.219 0.758 451 HD22 ASN 58 2HD2 ASN 58 15.663 15.455 1.903 452 H PHE 59 H PHE 59 14.631 12.341 -4.019 453 HA PHE 59 HA PHE 59 12.111 12.918 -5.300 454 HB2 PHE 59 1HB PHE 59 14.110 10.735 -5.948 455 HB3 PHE 59 2HB PHE 59 12.873 11.376 -7.019 456 HD1 PHE 59 1HD PHE 59 16.210 11.249 -6.711 457 HD2 PHE 59 2HD PHE 59 13.124 14.250 -6.962 458 HE1 PHE 59 1HE PHE 59 17.861 12.872 -7.625 459 HE2 PHE 59 2HE PHE 59 14.774 15.872 -7.868 460 HZ PHE 59 HZ PHE 59 17.142 15.184 -8.205 461 H TYR 60 H TYR 60 10.336 12.264 -4.111 462 HA TYR 60 HA TYR 60 9.873 9.562 -3.182 463 HB2 TYR 60 1HB TYR 60 7.928 11.757 -3.998 464 HB3 TYR 60 2HB TYR 60 7.466 10.232 -3.261 465 HD1 TYR 60 1HD TYR 60 8.039 9.700 -0.911 466 HD2 TYR 60 2HD TYR 60 8.898 13.560 -2.645 467 HE1 TYR 60 1HE TYR 60 8.316 10.676 1.369 468 HE2 TYR 60 2HE TYR 60 9.203 14.516 -0.372 469 HH TYR 60 HH TYR 60 9.206 14.108 1.884 470 H ILE 61 H ILE 61 8.975 7.811 -4.237 471 HA ILE 61 HA ILE 61 9.259 7.816 -7.147 472 HB ILE 61 HB ILE 61 8.493 5.594 -5.246 473 HG12 ILE 61 1HG1 ILE 61 10.724 6.289 -4.694 474 HG13 ILE 61 2HG1 ILE 61 10.842 4.809 -5.614 475 HG21 ILE 61 1HG2 ILE 61 9.096 4.074 -7.103 476 HG22 ILE 61 2HG2 ILE 61 7.717 5.089 -7.509 477 HG23 ILE 61 3HG2 ILE 61 9.311 5.475 -8.177 478 HD11 ILE 61 1HD1 ILE 61 11.448 6.214 -7.656 479 HD12 ILE 61 2HD1 ILE 61 11.467 7.640 -6.590 480 HD13 ILE 61 3HD1 ILE 61 12.590 6.305 -6.306 481 H THR 62 H THR 62 7.797 7.853 -8.638 482 HA THR 62 HA THR 62 4.882 7.676 -8.165 483 HB THR 62 HB THR 62 4.473 9.833 -9.195 484 HG1 THR 62 1HG THR 62 6.301 11.223 -9.556 485 HG21 THR 62 1HG2 THR 62 4.853 9.885 -6.716 486 HG22 THR 62 2HG2 THR 62 5.201 11.413 -7.544 487 HG23 THR 62 3HG2 THR 62 6.537 10.367 -7.028 488 H GLU 63 H GLU 63 3.752 7.938 -10.408 489 HA GLU 63 HA GLU 63 4.932 6.249 -12.393 490 HB2 GLU 63 1HB GLU 63 2.721 8.321 -12.673 491 HB3 GLU 63 2HB GLU 63 3.128 7.064 -13.852 492 HG2 GLU 63 1HG GLU 63 2.636 5.318 -12.117 493 HG3 GLU 63 2HG GLU 63 2.152 6.593 -10.999 494 H LYS 64 H LYS 64 5.447 9.635 -11.780 495 HA LYS 64 HA LYS 64 6.685 10.208 -14.399 496 HB2 LYS 64 1HB LYS 64 5.312 11.857 -13.099 497 HB3 LYS 64 2HB LYS 64 6.564 11.874 -11.849 498 HG2 LYS 64 1HG LYS 64 8.198 12.767 -13.467 499 HG3 LYS 64 2HG LYS 64 6.996 12.646 -14.770 500 HD2 LYS 64 1HD LYS 64 5.555 14.281 -13.582 501 HD3 LYS 64 2HD LYS 64 6.753 14.387 -12.272 502 HE2 LYS 64 1HE LYS 64 8.455 15.188 -13.895 503 HE3 LYS 64 2HE LYS 64 7.268 15.079 -15.202 504 HZ1 LYS 64 1HZ LYS 64 5.936 16.763 -14.041 505 HZ2 LYS 64 2HZ LYS 64 7.431 17.344 -14.341 506 HZ3 LYS 64 3HZ LYS 64 7.034 16.863 -12.834 507 H ASN 65 H ASN 65 7.743 9.186 -11.205 508 HA ASN 65 HA ASN 65 10.596 9.809 -11.858 509 HB2 ASN 65 1HB ASN 65 9.168 9.340 -9.213 510 HB3 ASN 65 2HB ASN 65 10.894 9.638 -9.376 511 HD21 ASN 65 1HD2 ASN 65 9.250 11.228 -7.781 512 HD22 ASN 65 2HD2 ASN 65 9.222 12.833 -8.509 513 H ARG 66 H ARG 66 8.543 7.022 -11.313 514 HA ARG 66 HA ARG 66 10.391 5.230 -10.188 515 HB2 ARG 66 1HB ARG 66 8.888 3.476 -10.874 516 HB3 ARG 66 2HB ARG 66 7.969 4.861 -10.303 517 HG2 ARG 66 1HG ARG 66 7.578 5.550 -12.707 518 HG3 ARG 66 2HG ARG 66 8.411 4.089 -13.229 519 HD2 ARG 66 1HD ARG 66 5.839 4.247 -11.615 520 HD3 ARG 66 2HD ARG 66 6.001 3.777 -13.317 521 HE ARG 66 HE ARG 66 7.652 2.017 -11.897 522 HH11 ARG 66 1HH1 ARG 66 4.204 2.519 -12.342 523 HH12 ARG 66 2HH1 ARG 66 3.855 0.904 -11.741 524 HH21 ARG 66 1HH2 ARG 66 7.027 0.074 -10.967 525 HH22 ARG 66 2HH2 ARG 66 5.346 -0.398 -11.064 526 H ASN 67 H ASN 67 10.316 6.235 -13.509 527 HA ASN 67 HA ASN 67 11.751 4.067 -14.705 528 HB2 ASN 67 1HB ASN 67 12.058 5.579 -16.544 529 HB3 ASN 67 2HB ASN 67 10.462 5.926 -15.886 530 HD21 ASN 67 1HD2 ASN 67 13.488 7.282 -16.746 531 HD22 ASN 67 2HD2 ASN 67 13.395 8.758 -15.793 532 H GLU 68 H GLU 68 12.870 6.660 -12.593 533 HA GLU 68 HA GLU 68 15.670 6.545 -13.385 534 HB2 GLU 68 1HB GLU 68 14.389 7.608 -10.841 535 HB3 GLU 68 2HB GLU 68 16.033 7.913 -11.381 536 HG2 GLU 68 1HG GLU 68 13.465 8.879 -12.695 537 HG3 GLU 68 2HG GLU 68 14.658 9.842 -11.839 538 H ILE 69 H ILE 69 13.721 4.405 -11.513 539 HA ILE 69 HA ILE 69 15.821 3.383 -9.766 540 HB ILE 69 HB ILE 69 13.159 2.162 -10.581 541 HG12 ILE 69 1HG1 ILE 69 13.854 3.718 -8.040 542 HG13 ILE 69 2HG1 ILE 69 12.948 4.389 -9.396 543 HG21 ILE 69 1HG2 ILE 69 14.819 0.503 -9.698 544 HG22 ILE 69 2HG2 ILE 69 14.978 1.489 -8.232 545 HG23 ILE 69 3HG2 ILE 69 13.438 0.701 -8.642 546 HD11 ILE 69 1HD1 ILE 69 12.035 2.119 -7.607 547 HD12 ILE 69 2HD1 ILE 69 11.376 3.749 -7.731 548 HD13 ILE 69 3HD1 ILE 69 11.196 2.631 -9.095 549 H LYS 70 H LYS 70 17.267 1.880 -10.202 550 HA LYS 70 HA LYS 70 17.054 0.143 -12.622 551 HB2 LYS 70 1HB LYS 70 19.451 0.361 -12.987 552 HB3 LYS 70 2HB LYS 70 18.671 1.939 -13.061 553 HG2 LYS 70 1HG LYS 70 19.452 2.457 -10.764 554 HG3 LYS 70 2HG LYS 70 20.199 0.852 -10.645 555 HD2 LYS 70 1HD LYS 70 21.691 1.404 -12.546 556 HD3 LYS 70 2HD LYS 70 20.942 3.012 -12.664 557 HE2 LYS 70 1HE LYS 70 21.646 3.504 -10.328 558 HE3 LYS 70 2HE LYS 70 22.395 1.905 -10.217 559 HZ1 LYS 70 1HZ LYS 70 23.213 4.040 -12.119 560 HZ2 LYS 70 2HZ LYS 70 23.907 2.563 -12.016 561 HZ3 LYS 70 3HZ LYS 70 24.031 3.613 -10.774 562 H ASN 71 H ASN 71 18.628 -1.773 -12.464 563 HA ASN 71 HA ASN 71 18.006 -3.311 -10.124 564 HB2 ASN 71 1HB ASN 71 19.551 -4.973 -11.062 565 HB3 ASN 71 2HB ASN 71 18.406 -4.391 -12.260 566 HD21 ASN 71 1HD2 ASN 71 21.655 -5.122 -11.805 567 HD22 ASN 71 2HD2 ASN 71 22.286 -4.167 -13.139 568 H GLY 72 H GLY 72 18.924 -3.424 -8.202 569 HA2 GLY 72 1HA GLY 72 20.584 -3.376 -6.552 570 HA3 GLY 72 2HA GLY 72 21.721 -2.623 -7.668 571 H THR 73 H THR 73 18.700 -0.940 -7.687 572 HA THR 73 HA THR 73 19.793 1.404 -6.394 573 HB THR 73 HB THR 73 16.884 0.743 -6.970 574 HG1 THR 73 1HG THR 73 18.088 0.799 -8.798 575 HG21 THR 73 1HG2 THR 73 18.228 3.423 -6.406 576 HG22 THR 73 2HG2 THR 73 17.017 2.622 -5.381 577 HG23 THR 73 3HG2 THR 73 16.564 3.200 -6.985 578 H ILE 74 H ILE 74 19.812 2.042 -4.293 579 HA ILE 74 HA ILE 74 18.334 0.437 -2.276 580 HB ILE 74 HB ILE 74 20.378 2.602 -1.777 581 HG12 ILE 74 1HG1 ILE 74 20.829 -0.417 -1.604 582 HG13 ILE 74 2HG1 ILE 74 21.326 0.546 -2.992 583 HG21 ILE 74 1HG2 ILE 74 19.234 0.425 0.052 584 HG22 ILE 74 2HG2 ILE 74 20.372 1.704 0.521 585 HG23 ILE 74 3HG2 ILE 74 18.723 2.117 0.080 586 HD11 ILE 74 1HD1 ILE 74 23.228 0.254 -1.583 587 HD12 ILE 74 2HD1 ILE 74 22.745 1.961 -1.559 588 HD13 ILE 74 3HD1 ILE 74 22.375 0.901 -0.173 589 H LEU 75 H LEU 75 16.473 1.085 -1.616 590 HA LEU 75 HA LEU 75 15.572 3.931 -1.807 591 HB2 LEU 75 1HB LEU 75 13.966 1.352 -1.907 592 HB3 LEU 75 2HB LEU 75 13.288 2.972 -1.987 593 HG LEU 75 HG LEU 75 15.121 1.735 -4.090 594 HD11 LEU 75 1HD1 LEU 75 13.119 1.614 -5.464 595 HD12 LEU 75 2HD1 LEU 75 12.133 2.304 -4.157 596 HD13 LEU 75 3HD1 LEU 75 12.876 0.699 -3.970 597 HD21 LEU 75 1HD2 LEU 75 13.586 4.377 -4.059 598 HD22 LEU 75 2HD2 LEU 75 14.393 3.679 -5.479 599 HD23 LEU 75 3HD2 LEU 75 15.353 4.178 -4.087 600 H ARG 76 H ARG 76 13.758 4.314 -0.215 601 HA ARG 76 HA ARG 76 13.845 2.761 2.292 602 HB2 ARG 76 1HB ARG 76 14.001 4.721 3.728 603 HB3 ARG 76 2HB ARG 76 15.431 4.566 2.703 604 HG2 ARG 76 1HG ARG 76 14.406 6.243 1.137 605 HG3 ARG 76 2HG ARG 76 13.140 6.540 2.329 606 HD2 ARG 76 1HD ARG 76 14.594 7.575 3.833 607 HD3 ARG 76 2HD ARG 76 16.015 6.718 3.225 608 HE ARG 76 HE ARG 76 15.815 8.096 1.125 609 HH11 ARG 76 1HH1 ARG 76 14.684 9.597 4.104 610 HH12 ARG 76 2HH1 ARG 76 14.903 11.188 3.420 611 HH21 ARG 76 1HH2 ARG 76 16.053 10.029 0.392 612 HH22 ARG 76 2HH2 ARG 76 15.631 11.443 1.345 613 H LEU 77 H LEU 77 12.023 2.852 3.486 614 HA LEU 77 HA LEU 77 9.548 3.640 2.028 615 HB2 LEU 77 1HB LEU 77 9.677 1.353 2.821 616 HB3 LEU 77 2HB LEU 77 10.035 1.887 4.462 617 HG LEU 77 HG LEU 77 7.737 2.947 4.491 618 HD11 LEU 77 1HD1 LEU 77 6.124 2.009 2.760 619 HD12 LEU 77 2HD1 LEU 77 7.509 1.391 1.858 620 HD13 LEU 77 3HD1 LEU 77 7.295 3.143 2.068 621 HD21 LEU 77 1HD2 LEU 77 7.838 -0.030 3.956 622 HD22 LEU 77 2HD2 LEU 77 6.545 0.840 4.801 623 HD23 LEU 77 3HD2 LEU 77 8.170 0.763 5.509 624 H THR 78 H THR 78 8.171 5.223 2.735 625 HA THR 78 HA THR 78 8.428 6.457 5.390 626 HB THR 78 HB THR 78 10.251 7.527 4.154 627 HG1 THR 78 1HG THR 78 9.288 8.866 5.557 628 HG21 THR 78 1HG2 THR 78 9.844 9.001 2.237 629 HG22 THR 78 2HG2 THR 78 8.151 8.451 2.150 630 HG23 THR 78 3HG2 THR 78 9.485 7.322 1.830 631 H THR 79 H THR 79 6.638 8.000 5.831 632 HA THR 79 HA THR 79 4.215 7.414 4.273 633 HB THR 79 HB THR 79 3.113 9.049 5.784 634 HG1 THR 79 1HG THR 79 4.212 9.602 7.661 635 HG21 THR 79 1HG2 THR 79 3.001 6.619 6.158 636 HG22 THR 79 2HG2 THR 79 2.998 7.519 7.677 637 HG23 THR 79 3HG2 THR 79 4.483 6.695 7.138 638 H SER 80 H SER 80 3.200 8.715 2.870 639 HA SER 80 HA SER 80 4.828 10.418 1.271 640 HB2 SER 80 1HB SER 80 3.086 9.074 0.290 641 HB3 SER 80 2HB SER 80 1.844 9.852 1.283 642 HG SER 80 HG SER 80 2.096 10.629 -0.953 643 HA PRO 81 HA PRO 81 3.952 14.431 3.185 644 HB2 PRO 81 1HB PRO 81 4.445 16.115 1.068 645 HB3 PRO 81 2HB PRO 81 5.732 15.291 1.996 646 HG2 PRO 81 1HG PRO 81 4.476 14.405 -0.624 647 HG3 PRO 81 2HG PRO 81 6.220 14.559 -0.226 648 HD2 PRO 81 1HD PRO 81 4.962 12.175 -0.074 649 HD3 PRO 81 2HD PRO 81 6.158 12.638 1.170 650 H ALA 82 H ALA 82 2.272 13.125 0.390 651 HA ALA 82 HA ALA 82 0.127 15.125 0.436 652 HB1 ALA 82 1HB ALA 82 0.420 12.527 -1.122 653 HB2 ALA 82 2HB ALA 82 -0.767 13.813 -1.417 654 HB3 ALA 82 3HB ALA 82 0.957 14.133 -1.671 655 H GLN 83 H GLN 83 0.732 12.276 2.325 656 HA GLN 83 HA GLN 83 -1.854 11.116 2.227 657 HB2 GLN 83 1HB GLN 83 -1.142 9.604 3.857 658 HB3 GLN 83 2HB GLN 83 0.260 9.982 2.891 659 HG2 GLN 83 1HG GLN 83 1.389 10.387 4.764 660 HG3 GLN 83 2HG GLN 83 0.422 11.834 5.017 661 HE21 GLN 83 1HE2 GLN 83 -2.117 10.529 5.793 662 HE22 GLN 83 2HE2 GLN 83 -1.770 9.673 7.292 663 H ASN 84 H ASN 84 -1.110 14.005 3.793 664 HA ASN 84 HA ASN 84 -3.735 13.927 5.187 665 HB2 ASN 84 1HB ASN 84 -1.788 13.578 6.782 666 HB3 ASN 84 2HB ASN 84 -1.208 15.187 6.345 667 HD21 ASN 84 1HD2 ASN 84 -4.303 13.609 7.414 668 HD22 ASN 84 2HD2 ASN 84 -4.685 14.883 8.561 669 H ALA 85 H ALA 85 -2.407 15.141 2.597 670 HA ALA 85 HA ALA 85 -2.907 18.034 2.993 671 HB1 ALA 85 1HB ALA 85 -1.797 16.497 0.611 672 HB2 ALA 85 2HB ALA 85 -1.802 18.257 0.826 673 HB3 ALA 85 3HB ALA 85 -0.815 17.246 1.895 674 H GLN 86 H GLN 86 -4.057 19.204 1.269 675 HA GLN 86 HA GLN 86 -6.657 18.122 0.553 676 HB2 GLN 86 1HB GLN 86 -6.259 20.502 1.069 677 HB3 GLN 86 2HB GLN 86 -5.155 20.634 -0.296 678 HG2 GLN 86 1HG GLN 86 -7.321 21.649 -0.788 679 HG3 GLN 86 2HG GLN 86 -7.004 20.314 -1.879 680 HE21 GLN 86 1HE2 GLN 86 -9.124 21.504 0.690 681 HE22 GLN 86 2HE2 GLN 86 -10.246 20.152 0.605 682 H GLN 87 H GLN 87 -7.422 17.827 -1.673 683 HA GLN 87 HA GLN 87 -5.803 16.134 -3.284 684 HB2 GLN 87 1HB GLN 87 -8.300 17.720 -4.006 685 HB3 GLN 87 2HB GLN 87 -7.586 16.430 -4.987 686 HG2 GLN 87 1HG GLN 87 -7.928 14.824 -3.110 687 HG3 GLN 87 2HG GLN 87 -8.700 16.098 -2.162 688 HE21 GLN 87 1HE2 GLN 87 -10.287 14.021 -2.370 689 HE22 GLN 87 2HE2 GLN 87 -11.507 14.242 -3.619 690 H LEU 88 H LEU 88 -4.176 16.562 -4.610 691 HA LEU 88 HA LEU 88 -3.265 19.265 -5.011 692 HB2 LEU 88 1HB LEU 88 -2.206 16.643 -6.100 693 HB3 LEU 88 2HB LEU 88 -1.362 18.191 -6.129 694 HG LEU 88 HG LEU 88 -2.144 16.632 -3.619 695 HD11 LEU 88 1HD1 LEU 88 0.549 17.217 -4.899 696 HD12 LEU 88 2HD1 LEU 88 -0.300 15.653 -4.925 697 HD13 LEU 88 3HD1 LEU 88 0.276 16.319 -3.386 698 HD21 LEU 88 1HD2 LEU 88 -2.161 19.030 -3.095 699 HD22 LEU 88 2HD2 LEU 88 -0.592 19.246 -3.907 700 HD23 LEU 88 3HD2 LEU 88 -0.716 18.283 -2.418 701 H HIS 89 H HIS 89 -4.675 16.876 -7.230 702 HA HIS 89 HA HIS 89 -5.502 18.869 -9.171 703 HB2 HIS 89 1HB HIS 89 -4.167 17.988 -11.056 704 HB3 HIS 89 2HB HIS 89 -3.145 18.716 -9.835 705 HD2 HIS 89 2HD HIS 89 -1.390 17.169 -8.578 706 HE1 HIS 89 1HE HIS 89 -2.232 13.512 -10.610 707 HE2 HIS 89 2HE HIS 89 -0.634 14.676 -9.004 708 H GLU 90 H GLU 90 -6.596 17.830 -11.055 709 HA GLU 90 HA GLU 90 -7.124 14.982 -10.984 710 HB2 GLU 90 1HB GLU 90 -8.842 15.750 -9.390 711 HB3 GLU 90 2HB GLU 90 -9.409 16.948 -10.547 712 HG2 GLU 90 1HG GLU 90 -10.940 15.087 -10.465 713 HG3 GLU 90 2HG GLU 90 -10.200 15.158 -12.054 714 H ARG 91 H ARG 91 -7.656 14.181 -12.987 715 HA ARG 91 HA ARG 91 -7.832 16.096 -15.282 716 HB2 ARG 91 1HB ARG 91 -5.800 14.543 -14.941 717 HB3 ARG 91 2HB ARG 91 -6.865 13.213 -15.353 718 HG2 ARG 91 1HG ARG 91 -6.050 15.585 -17.078 719 HG3 ARG 91 2HG ARG 91 -5.588 13.889 -17.238 720 HD2 ARG 91 1HD ARG 91 -8.014 13.355 -17.748 721 HD3 ARG 91 2HD ARG 91 -8.323 15.106 -17.761 722 HE ARG 91 HE ARG 91 -6.150 14.260 -19.527 723 HH11 ARG 91 1HH1 ARG 91 -9.707 14.818 -21.200 724 HH12 ARG 91 2HH1 ARG 91 -9.639 14.862 -19.437 725 HH21 ARG 91 1HH2 ARG 91 -6.433 14.322 -21.764 726 HH22 ARG 91 2HH2 ARG 91 -8.047 14.574 -22.397 727 H ILE 92 H ILE 92 -10.047 16.358 -15.255 728 HA ILE 92 HA ILE 92 -11.955 14.176 -15.206 729 HB ILE 92 HB ILE 92 -12.249 17.057 -16.139 730 HG12 ILE 92 1HG1 ILE 92 -13.007 15.715 -13.495 731 HG13 ILE 92 2HG1 ILE 92 -11.618 16.772 -13.729 732 HG21 ILE 92 1HG2 ILE 92 -14.690 16.707 -15.925 733 HG22 ILE 92 2HG2 ILE 92 -14.030 15.630 -17.130 734 HG23 ILE 92 3HG2 ILE 92 -14.424 14.999 -15.514 735 HD11 ILE 92 1HD1 ILE 92 -13.173 18.640 -14.357 736 HD12 ILE 92 2HD1 ILE 92 -14.533 17.596 -13.870 737 HD13 ILE 92 3HD1 ILE 92 -13.312 18.065 -12.684 738 H GLN 93 H GLN 93 -12.900 13.046 -16.885 739 HA GLN 93 HA GLN 93 -11.460 12.990 -19.421 740 HB2 GLN 93 1HB GLN 93 -12.155 11.001 -18.002 741 HB3 GLN 93 2HB GLN 93 -13.800 11.248 -18.600 742 HG2 GLN 93 1HG GLN 93 -12.968 10.908 -20.939 743 HG3 GLN 93 2HG GLN 93 -11.321 10.773 -20.330 744 HE21 GLN 93 1HE2 GLN 93 -11.761 8.687 -21.750 745 HE22 GLN 93 2HE2 GLN 93 -12.287 7.294 -20.812 746 H SER 94 H SER 94 -12.696 15.445 -19.245 747 HA SER 94 HA SER 94 -15.293 15.508 -20.575 748 HB2 SER 94 1HB SER 94 -14.959 17.956 -20.465 749 HB3 SER 94 2HB SER 94 -14.721 17.164 -18.899 750 HG SER 94 HG SER 94 -13.073 18.716 -19.407 751 H SER 95 H SER 95 -11.986 15.529 -21.703 752 HA SER 95 HA SER 95 -12.375 16.893 -24.202 753 HB2 SER 95 1HB SER 95 -10.178 15.861 -24.791 754 HB3 SER 95 2HB SER 95 -10.187 16.768 -23.273 755 HG SER 95 HG SER 95 -10.357 13.936 -23.563 756 H SER 96 H SER 96 -13.427 16.250 -25.940 757 HA SER 96 HA SER 96 -13.338 13.535 -27.000 758 HB2 SER 96 1HB SER 96 -15.131 13.362 -25.274 759 HB3 SER 96 2HB SER 96 -15.999 14.688 -26.067 760 HG SER 96 HG SER 96 -16.731 12.583 -26.703 761 H MET 97 H MET 97 -14.395 13.395 -29.115 762 HA MET 97 HA MET 97 -15.283 15.837 -30.455 763 HB2 MET 97 1HB MET 97 -12.891 16.132 -30.695 764 HB3 MET 97 2HB MET 97 -12.685 14.466 -31.240 765 HG2 MET 97 1HG MET 97 -12.522 16.036 -33.082 766 HG3 MET 97 2HG MET 97 -13.873 14.938 -33.320 767 HE1 MET 97 1HE MET 97 -14.238 16.822 -35.334 768 HE2 MET 97 2HE MET 97 -14.688 18.509 -35.002 769 HE3 MET 97 3HE MET 97 -13.041 17.943 -34.654 770 H ASP 98 H ASP 98 -16.850 15.347 -31.820 771 HA ASP 98 HA ASP 98 -16.940 12.725 -33.226 772 HB2 ASP 98 1HB ASP 98 -19.256 12.395 -32.612 773 HB3 ASP 98 2HB ASP 98 -18.237 12.474 -31.185 774 H ALA 99 H ALA 99 -17.078 16.048 -33.603 775 HA ALA 99 HA ALA 99 -19.050 16.135 -35.761 776 HB1 ALA 99 1HB ALA 99 -18.498 18.525 -35.782 777 HB2 ALA 99 2HB ALA 99 -18.791 17.968 -34.126 778 HB3 ALA 99 3HB ALA 99 -17.127 18.242 -34.690 779 H LYS 100 H LYS 100 -16.121 14.767 -35.838 780 HA LYS 100 HA LYS 100 -14.663 16.094 -37.899 781 HB2 LYS 100 1HB LYS 100 -13.757 14.500 -36.198 782 HB3 LYS 100 2HB LYS 100 -14.530 13.166 -37.063 783 HG2 LYS 100 1HG LYS 100 -13.168 13.706 -39.083 784 HG3 LYS 100 2HG LYS 100 -12.401 15.040 -38.214 785 HD2 LYS 100 1HD LYS 100 -12.261 12.100 -37.411 786 HD3 LYS 100 2HD LYS 100 -11.027 12.956 -38.346 787 HE2 LYS 100 1HE LYS 100 -10.687 14.531 -36.446 788 HE3 LYS 100 2HE LYS 100 -11.895 13.646 -35.501 789 HZ1 LYS 100 1HZ LYS 100 -10.470 11.670 -35.663 790 HZ2 LYS 100 2HZ LYS 100 -9.651 12.899 -34.966 791 HZ3 LYS 100 3HZ LYS 100 -9.349 12.496 -36.517 792 H LEU 101 H LEU 101 -14.534 15.881 -40.026 793 HA LEU 101 HA LEU 101 -16.740 14.834 -41.544 794 HB2 LEU 101 1HB LEU 101 -15.822 15.974 -43.377 795 HB3 LEU 101 2HB LEU 101 -15.690 17.001 -41.968 796 HG LEU 101 HG LEU 101 -13.405 15.552 -43.394 797 HD11 LEU 101 1HD1 LEU 101 -14.334 17.531 -44.531 798 HD12 LEU 101 2HD1 LEU 101 -12.686 17.813 -43.951 799 HD13 LEU 101 3HD1 LEU 101 -14.067 18.499 -43.065 800 HD21 LEU 101 1HD2 LEU 101 -13.275 17.341 -40.931 801 HD22 LEU 101 2HD2 LEU 101 -11.887 16.855 -41.924 802 HD23 LEU 101 3HD2 LEU 101 -12.779 15.624 -41.041 803 H GLU 102 H GLU 102 -15.842 12.612 -40.395 804 HA GLU 102 HA GLU 102 -13.861 11.086 -41.771 805 HB2 GLU 102 1HB GLU 102 -16.284 10.272 -40.130 806 HB3 GLU 102 2HB GLU 102 -15.115 9.105 -40.731 807 HG2 GLU 102 1HG GLU 102 -14.289 11.447 -38.969 808 HG3 GLU 102 2HG GLU 102 -14.888 9.931 -38.314 809 H ALA 103 H ALA 103 -13.873 9.639 -43.393 810 HA ALA 103 HA ALA 103 -16.278 8.858 -44.863 811 HB1 ALA 103 1HB ALA 103 -15.488 9.835 -47.000 812 HB2 ALA 103 2HB ALA 103 -15.795 11.105 -45.804 813 HB3 ALA 103 3HB ALA 103 -14.127 10.604 -46.156 814 H LEU 104 H LEU 104 -15.736 7.358 -46.652 815 HA LEU 104 HA LEU 104 -13.133 5.929 -46.406 816 HB2 LEU 104 1HB LEU 104 -15.901 4.670 -46.350 817 HB3 LEU 104 2HB LEU 104 -14.407 3.765 -46.546 818 HG LEU 104 HG LEU 104 -15.085 5.420 -44.072 819 HD11 LEU 104 1HD1 LEU 104 -15.228 2.414 -44.535 820 HD12 LEU 104 2HD1 LEU 104 -16.614 3.511 -44.346 821 HD13 LEU 104 3HD1 LEU 104 -15.504 3.254 -42.992 822 HD21 LEU 104 1HD2 LEU 104 -12.885 3.365 -44.599 823 HD22 LEU 104 2HD2 LEU 104 -13.242 4.126 -43.032 824 HD23 LEU 104 3HD2 LEU 104 -12.647 5.113 -44.369 825 H LYS 105 H LYS 105 -12.488 4.764 -48.214 826 HA LYS 105 HA LYS 105 -13.323 5.796 -50.818 827 HB2 LYS 105 1HB LYS 105 -11.364 3.596 -50.020 828 HB3 LYS 105 2HB LYS 105 -11.619 4.169 -51.672 829 HG2 LYS 105 1HG LYS 105 -10.878 6.443 -51.031 830 HG3 LYS 105 2HG LYS 105 -10.671 5.921 -49.360 831 HD2 LYS 105 1HD LYS 105 -8.501 5.973 -50.414 832 HD3 LYS 105 2HD LYS 105 -8.936 4.316 -50.024 833 HE2 LYS 105 1HE LYS 105 -7.887 4.301 -52.170 834 HE3 LYS 105 2HE LYS 105 -9.593 3.933 -52.412 835 HZ1 LYS 105 1HZ LYS 105 -8.333 6.597 -52.847 836 HZ2 LYS 105 2HZ LYS 105 -9.913 6.263 -53.104 837 HZ3 LYS 105 3HZ LYS 105 -8.768 5.561 -54.027 838 H ASP 106 H ASP 106 -14.150 4.609 -52.562 839 HA ASP 106 HA ASP 106 -16.157 2.587 -51.943 840 HB2 ASP 106 1HB ASP 106 -15.097 3.574 -54.614 841 HB3 ASP 106 2HB ASP 106 -16.483 2.507 -54.395 842 H LEU 107 H LEU 107 -16.114 0.402 -52.261 843 HA LEU 107 HA LEU 107 -13.535 -0.934 -52.465 844 HB2 LEU 107 1HB LEU 107 -15.246 -1.723 -50.921 845 HB3 LEU 107 2HB LEU 107 -16.393 -1.940 -52.243 846 HG LEU 107 HG LEU 107 -14.978 -3.749 -53.197 847 HD11 LEU 107 1HD1 LEU 107 -13.161 -4.721 -51.808 848 HD12 LEU 107 2HD1 LEU 107 -13.287 -3.345 -50.687 849 HD13 LEU 107 3HD1 LEU 107 -12.750 -3.099 -52.365 850 HD21 LEU 107 1HD2 LEU 107 -15.454 -5.416 -51.462 851 HD22 LEU 107 2HD2 LEU 107 -16.797 -4.273 -51.619 852 HD23 LEU 107 3HD2 LEU 107 -15.666 -4.126 -50.255 853 H ALA 108 H ALA 108 -12.539 -1.448 -54.319 854 HA ALA 108 HA ALA 108 -13.869 -1.528 -56.906 855 HB1 ALA 108 1HB ALA 108 -11.071 -2.384 -56.048 856 HB2 ALA 108 2HB ALA 108 -11.643 -2.200 -57.721 857 HB3 ALA 108 3HB ALA 108 -11.539 -0.780 -56.662 858 H SER 109 H SER 109 -14.705 -3.249 -57.971 859 HA SER 109 HA SER 109 -13.999 -6.014 -57.392 860 HB2 SER 109 1HB SER 109 -15.652 -5.516 -55.572 861 HB3 SER 109 2HB SER 109 -16.836 -5.070 -56.811 862 HG SER 109 HG SER 109 -15.763 -7.602 -56.159 863 H LEU 110 H LEU 110 -14.747 -7.455 -58.968 864 HA LEU 110 HA LEU 110 -16.434 -6.497 -61.184 865 HB2 LEU 110 1HB LEU 110 -14.913 -6.765 -62.901 866 HB3 LEU 110 2HB LEU 110 -14.031 -5.860 -61.690 867 HG LEU 110 HG LEU 110 -13.718 -8.839 -62.318 868 HD11 LEU 110 1HD1 LEU 110 -12.842 -7.315 -64.048 869 HD12 LEU 110 2HD1 LEU 110 -11.538 -8.173 -63.213 870 HD13 LEU 110 3HD1 LEU 110 -11.873 -6.471 -62.819 871 HD21 LEU 110 1HD2 LEU 110 -13.158 -8.535 -59.966 872 HD22 LEU 110 2HD2 LEU 110 -12.179 -7.094 -60.347 873 HD23 LEU 110 3HD2 LEU 110 -11.670 -8.709 -60.890 874 H SER 111 H SER 111 -15.922 -8.952 -59.050 875 HA SER 111 HA SER 111 -16.121 -11.277 -60.763 876 HB2 SER 111 1HB SER 111 -16.617 -12.463 -58.623 877 HB3 SER 111 2HB SER 111 -15.105 -11.550 -58.639 878 HG SER 111 HG SER 111 -17.568 -10.723 -57.457 879 H ARG 112 H ARG 112 -17.813 -11.910 -61.841 880 HA ARG 112 HA ARG 112 -19.910 -12.117 -62.706 881 HB2 ARG 112 1HB ARG 112 -20.835 -12.224 -59.822 882 HB3 ARG 112 2HB ARG 112 -21.692 -12.860 -61.216 883 HG2 ARG 112 1HG ARG 112 -19.019 -13.932 -60.203 884 HG3 ARG 112 2HG ARG 112 -20.600 -14.567 -59.798 885 HD2 ARG 112 1HD ARG 112 -19.801 -16.007 -61.474 886 HD3 ARG 112 2HD ARG 112 -21.034 -15.014 -62.232 887 HE ARG 112 HE ARG 112 -19.452 -14.198 -63.696 888 HH11 ARG 112 1HH1 ARG 112 -17.653 -15.687 -61.079 889 HH12 ARG 112 2HH1 ARG 112 -16.130 -15.494 -61.903 890 HH21 ARG 112 1HH2 ARG 112 -17.477 -13.963 -64.670 891 HH22 ARG 112 2HH2 ARG 112 -16.042 -14.543 -63.879 892 H ASP 113 H ASP 113 -18.976 -9.417 -62.327 893 HA ASP 113 HA ASP 113 -21.185 -7.649 -61.725 894 HB2 ASP 113 1HB ASP 113 -18.862 -6.962 -61.514 895 HB3 ASP 113 2HB ASP 113 -18.575 -7.248 -63.227 Start of MODEL 3 1 H1 GLY 0 1H GLY 0 -0.095 -14.265 -30.556 2 H2 GLY 0 2H GLY 0 -1.060 -13.076 -31.136 3 H3 GLY 0 3H GLY 0 -0.895 -13.283 -29.519 4 HA2 GLY 0 1HA GLY 0 1.250 -12.443 -31.356 5 HA3 GLY 0 2HA GLY 0 0.374 -11.368 -30.252 6 H MET 1 H MET 1 3.205 -11.757 -30.278 7 HA MET 1 HA MET 1 4.068 -13.536 -28.198 8 HB2 MET 1 1HB MET 1 6.207 -12.441 -28.398 9 HB3 MET 1 2HB MET 1 5.523 -12.689 -30.000 10 HG2 MET 1 1HG MET 1 4.806 -10.275 -30.013 11 HG3 MET 1 2HG MET 1 5.545 -10.080 -28.425 12 HE1 MET 1 1HE MET 1 7.840 -10.634 -32.414 13 HE2 MET 1 2HE MET 1 6.858 -11.957 -31.753 14 HE3 MET 1 3HE MET 1 6.081 -10.437 -32.259 15 HA PRO 2 HA PRO 2 3.188 -11.097 -24.535 16 HB2 PRO 2 1HB PRO 2 5.142 -11.906 -22.790 17 HB3 PRO 2 2HB PRO 2 3.773 -12.950 -23.282 18 HG2 PRO 2 1HG PRO 2 6.581 -12.893 -24.442 19 HG3 PRO 2 2HG PRO 2 5.643 -14.319 -23.889 20 HD2 PRO 2 1HD PRO 2 5.736 -13.607 -26.505 21 HD3 PRO 2 2HD PRO 2 4.227 -14.236 -25.781 22 HA PRO 3 HA PRO 3 5.803 -7.506 -24.866 23 HB2 PRO 3 1HB PRO 3 5.399 -6.198 -22.490 24 HB3 PRO 3 2HB PRO 3 4.139 -6.348 -23.753 25 HG2 PRO 3 1HG PRO 3 4.519 -8.089 -21.291 26 HG3 PRO 3 2HG PRO 3 3.014 -7.300 -21.864 27 HD2 PRO 3 1HD PRO 3 3.569 -9.900 -22.432 28 HD3 PRO 3 2HD PRO 3 2.767 -8.845 -23.636 29 HA PRO 4 HA PRO 4 9.707 -8.487 -22.856 30 HB2 PRO 4 1HB PRO 4 11.080 -6.130 -23.048 31 HB3 PRO 4 2HB PRO 4 10.722 -7.168 -24.463 32 HG2 PRO 4 1HG PRO 4 9.181 -4.731 -23.506 33 HG3 PRO 4 2HG PRO 4 9.752 -5.098 -25.166 34 HD2 PRO 4 1HD PRO 4 7.203 -5.632 -24.369 35 HD3 PRO 4 2HD PRO 4 8.074 -6.729 -25.482 36 H ALA 5 H ALA 5 10.548 -8.456 -20.799 37 HA ALA 5 HA ALA 5 9.044 -7.099 -18.710 38 HB1 ALA 5 1HB ALA 5 10.480 -8.404 -17.198 39 HB2 ALA 5 2HB ALA 5 9.789 -9.430 -18.468 40 HB3 ALA 5 3HB ALA 5 11.489 -8.912 -18.569 41 H ASP 6 H ASP 6 9.691 -5.530 -17.329 42 HA ASP 6 HA ASP 6 12.232 -4.032 -17.854 43 HB2 ASP 6 1HB ASP 6 9.476 -2.979 -17.164 44 HB3 ASP 6 2HB ASP 6 10.930 -1.982 -17.306 45 H ILE 7 H ILE 7 11.434 -6.144 -15.770 46 HA ILE 7 HA ILE 7 11.041 -4.901 -13.235 47 HB ILE 7 HB ILE 7 12.083 -7.667 -13.924 48 HG12 ILE 7 1HG1 ILE 7 9.219 -6.963 -13.169 49 HG13 ILE 7 2HG1 ILE 7 9.738 -6.996 -14.847 50 HG21 ILE 7 1HG2 ILE 7 10.884 -6.607 -11.329 51 HG22 ILE 7 2HG2 ILE 7 11.229 -8.316 -11.657 52 HG23 ILE 7 3HG2 ILE 7 12.554 -7.174 -11.574 53 HD11 ILE 7 1HD1 ILE 7 8.696 -9.084 -14.347 54 HD12 ILE 7 2HD1 ILE 7 10.429 -9.372 -14.596 55 HD13 ILE 7 3HD1 ILE 7 9.745 -9.365 -12.951 56 H VAL 8 H VAL 8 12.388 -4.310 -11.632 57 HA VAL 8 HA VAL 8 15.336 -4.704 -11.902 58 HB VAL 8 HB VAL 8 15.626 -2.422 -10.936 59 HG11 VAL 8 1HG1 VAL 8 16.063 -2.925 -13.308 60 HG12 VAL 8 2HG1 VAL 8 14.377 -2.533 -13.704 61 HG13 VAL 8 3HG1 VAL 8 15.460 -1.274 -13.085 62 HG21 VAL 8 1HG2 VAL 8 13.381 -1.893 -10.132 63 HG22 VAL 8 2HG2 VAL 8 13.892 -0.714 -11.345 64 HG23 VAL 8 3HG2 VAL 8 12.735 -1.977 -11.786 65 H LYS 9 H LYS 9 16.368 -5.415 -10.176 66 HA LYS 9 HA LYS 9 14.940 -5.963 -7.676 67 HB2 LYS 9 1HB LYS 9 16.527 -7.522 -8.822 68 HB3 LYS 9 2HB LYS 9 17.860 -6.467 -8.391 69 HG2 LYS 9 1HG LYS 9 15.962 -7.589 -6.286 70 HG3 LYS 9 2HG LYS 9 17.219 -8.596 -6.959 71 HD2 LYS 9 1HD LYS 9 17.693 -6.012 -5.420 72 HD3 LYS 9 2HD LYS 9 17.867 -7.634 -4.794 73 HE2 LYS 9 1HE LYS 9 19.525 -6.450 -7.070 74 HE3 LYS 9 2HE LYS 9 20.022 -6.531 -5.382 75 HZ1 LYS 9 1HZ LYS 9 20.936 -8.388 -6.618 76 HZ2 LYS 9 2HZ LYS 9 19.463 -8.899 -7.093 77 HZ3 LYS 9 3HZ LYS 9 19.888 -8.965 -5.514 78 H VAL 10 H VAL 10 15.161 -4.978 -5.737 79 HA VAL 10 HA VAL 10 17.015 -2.661 -5.418 80 HB VAL 10 HB VAL 10 15.213 -1.293 -4.505 81 HG11 VAL 10 1HG1 VAL 10 14.184 -0.629 -6.553 82 HG12 VAL 10 2HG1 VAL 10 15.820 -1.177 -6.942 83 HG13 VAL 10 3HG1 VAL 10 14.426 -2.221 -7.292 84 HG21 VAL 10 1HG2 VAL 10 13.263 -3.434 -5.455 85 HG22 VAL 10 2HG2 VAL 10 13.641 -3.073 -3.759 86 HG23 VAL 10 3HG2 VAL 10 12.857 -1.854 -4.761 87 H ALA 11 H ALA 11 17.253 -1.913 -3.235 88 HA ALA 11 HA ALA 11 16.533 -3.896 -1.096 89 HB1 ALA 11 1HB ALA 11 18.637 -3.338 0.017 90 HB2 ALA 11 2HB ALA 11 18.968 -3.951 -1.618 91 HB3 ALA 11 3HB ALA 11 19.068 -2.212 -1.290 92 H ILE 12 H ILE 12 15.020 -3.015 0.211 93 HA ILE 12 HA ILE 12 14.763 -0.058 0.321 94 HB ILE 12 HB ILE 12 12.760 -2.188 1.063 95 HG12 ILE 12 1HG1 ILE 12 12.684 -0.479 -1.455 96 HG13 ILE 12 2HG1 ILE 12 13.461 -2.061 -1.455 97 HG21 ILE 12 1HG2 ILE 12 12.372 0.021 2.186 98 HG22 ILE 12 2HG2 ILE 12 12.414 0.819 0.603 99 HG23 ILE 12 3HG2 ILE 12 11.121 -0.323 1.013 100 HD11 ILE 12 1HD1 ILE 12 10.570 -1.591 -0.727 101 HD12 ILE 12 2HD1 ILE 12 11.193 -2.241 -2.251 102 HD13 ILE 12 3HD1 ILE 12 11.418 -3.158 -0.742 103 H GLU 13 H GLU 13 15.241 1.045 2.035 104 HA GLU 13 HA GLU 13 15.914 -0.169 4.625 105 HB2 GLU 13 1HB GLU 13 15.913 2.692 3.591 106 HB3 GLU 13 2HB GLU 13 16.397 2.263 5.219 107 HG2 GLU 13 1HG GLU 13 17.745 1.163 2.708 108 HG3 GLU 13 2HG GLU 13 18.264 2.611 3.563 109 H TRP 14 H TRP 14 14.872 0.019 6.526 110 HA TRP 14 HA TRP 14 12.759 1.941 6.987 111 HB2 TRP 14 1HB TRP 14 11.447 0.154 5.981 112 HB3 TRP 14 2HB TRP 14 12.138 -1.026 7.095 113 HD1 TRP 14 HD TRP 14 10.852 -1.435 9.250 114 HE1 TRP 14 1HE TRP 14 8.906 -0.338 10.513 115 HE3 TRP 14 3HE TRP 14 10.340 2.777 6.406 116 HZ2 TRP 14 2HZ TRP 14 7.362 2.103 10.343 117 HZ3 TRP 14 3HZ TRP 14 8.675 4.515 7.017 118 HH2 TRP 14 HH TRP 14 7.179 4.188 8.978 119 HA PRO 15 HA PRO 15 14.956 1.764 10.805 120 HB2 PRO 15 1HB PRO 15 12.430 2.651 12.191 121 HB3 PRO 15 2HB PRO 15 14.083 3.336 12.298 122 HG2 PRO 15 1HG PRO 15 12.223 4.568 10.777 123 HG3 PRO 15 2HG PRO 15 13.879 4.337 10.118 124 HD2 PRO 15 1HD PRO 15 11.425 2.614 9.673 125 HD3 PRO 15 2HD PRO 15 12.521 3.314 8.449 126 H GLY 16 H GLY 16 15.406 0.472 12.573 127 HA2 GLY 16 1HA GLY 16 15.256 -1.231 14.106 128 HA3 GLY 16 2HA GLY 16 13.498 -1.152 13.978 129 H ALA 17 H ALA 17 15.033 -1.775 10.950 130 HA ALA 17 HA ALA 17 14.881 -4.727 11.199 131 HB1 ALA 17 1HB ALA 17 13.384 -4.861 9.257 132 HB2 ALA 17 2HB ALA 17 12.611 -3.942 10.562 133 HB3 ALA 17 3HB ALA 17 13.305 -3.089 9.163 134 H TYR 18 H TYR 18 15.817 -5.881 9.438 135 HA TYR 18 HA TYR 18 18.135 -4.668 8.190 136 HB2 TYR 18 1HB TYR 18 16.781 -7.349 7.733 137 HB3 TYR 18 2HB TYR 18 18.349 -6.885 7.088 138 HD1 TYR 18 1HD TYR 18 16.639 -8.377 9.881 139 HD2 TYR 18 2HD TYR 18 20.217 -6.231 8.767 140 HE1 TYR 18 1HE TYR 18 17.763 -9.178 11.950 141 HE2 TYR 18 2HE TYR 18 21.340 -7.039 10.842 142 HH TYR 18 HH TYR 18 19.679 -9.164 13.207 143 HA PRO 19 HA PRO 19 16.336 -3.132 4.464 144 HB2 PRO 19 1HB PRO 19 18.524 -4.490 2.898 145 HB3 PRO 19 2HB PRO 19 17.966 -2.789 2.829 146 HG2 PRO 19 1HG PRO 19 20.235 -3.429 4.168 147 HG3 PRO 19 2HG PRO 19 19.069 -2.269 4.884 148 HD2 PRO 19 1HD PRO 19 19.388 -5.218 5.497 149 HD3 PRO 19 2HD PRO 19 19.224 -3.833 6.620 150 H LYS 20 H LYS 20 14.640 -3.776 3.255 151 HA LYS 20 HA LYS 20 14.101 -6.649 2.785 152 HB2 LYS 20 1HB LYS 20 12.281 -5.339 3.578 153 HB3 LYS 20 2HB LYS 20 12.483 -4.124 2.305 154 HG2 LYS 20 1HG LYS 20 11.750 -5.674 0.610 155 HG3 LYS 20 2HG LYS 20 11.775 -7.032 1.758 156 HD2 LYS 20 1HD LYS 20 9.924 -6.027 3.030 157 HD3 LYS 20 2HD LYS 20 9.980 -4.578 2.025 158 HE2 LYS 20 1HE LYS 20 8.110 -5.964 1.338 159 HE3 LYS 20 2HE LYS 20 9.301 -5.861 0.041 160 HZ1 LYS 20 1HZ LYS 20 10.070 -8.087 0.636 161 HZ2 LYS 20 2HZ LYS 20 8.459 -8.134 0.381 162 HZ3 LYS 20 3HZ LYS 20 9.041 -8.172 1.904 163 H LEU 21 H LEU 21 15.237 -7.540 1.217 164 HA LEU 21 HA LEU 21 15.774 -6.235 -1.363 165 HB2 LEU 21 1HB LEU 21 16.140 -9.069 -0.322 166 HB3 LEU 21 2HB LEU 21 16.540 -8.596 -1.969 167 HG LEU 21 HG LEU 21 17.780 -7.205 0.443 168 HD11 LEU 21 1HD1 LEU 21 18.855 -9.590 -1.118 169 HD12 LEU 21 2HD1 LEU 21 18.318 -9.599 0.576 170 HD13 LEU 21 3HD1 LEU 21 19.742 -8.657 0.110 171 HD21 LEU 21 1HD2 LEU 21 19.509 -6.560 -1.162 172 HD22 LEU 21 2HD2 LEU 21 17.931 -6.052 -1.781 173 HD23 LEU 21 3HD2 LEU 21 18.716 -7.494 -2.448 174 H MET 22 H MET 22 14.370 -6.134 -3.011 175 HA MET 22 HA MET 22 12.528 -8.329 -3.561 176 HB2 MET 22 1HB MET 22 10.480 -7.230 -3.364 177 HB3 MET 22 2HB MET 22 11.304 -6.869 -1.852 178 HG2 MET 22 1HG MET 22 11.865 -4.639 -2.623 179 HG3 MET 22 2HG MET 22 11.110 -4.938 -4.195 180 HE1 MET 22 1HE MET 22 8.615 -4.838 -4.719 181 HE2 MET 22 2HE MET 22 8.381 -6.350 -3.811 182 HE3 MET 22 3HE MET 22 7.320 -4.960 -3.503 183 H GLU 23 H GLU 23 11.013 -7.562 -5.512 184 HA GLU 23 HA GLU 23 12.732 -6.114 -7.493 185 HB2 GLU 23 1HB GLU 23 11.010 -8.573 -7.820 186 HB3 GLU 23 2HB GLU 23 11.487 -7.553 -9.185 187 HG2 GLU 23 1HG GLU 23 13.849 -7.870 -8.709 188 HG3 GLU 23 2HG GLU 23 13.479 -8.814 -7.266 189 H ILE 24 H ILE 24 11.955 -4.368 -8.301 190 HA ILE 24 HA ILE 24 9.069 -3.657 -8.059 191 HB ILE 24 HB ILE 24 11.553 -2.047 -8.717 192 HG12 ILE 24 1HG1 ILE 24 9.453 -1.947 -6.502 193 HG13 ILE 24 2HG1 ILE 24 11.099 -2.537 -6.344 194 HG21 ILE 24 1HG2 ILE 24 9.715 -1.291 -10.239 195 HG22 ILE 24 2HG2 ILE 24 8.672 -1.044 -8.818 196 HG23 ILE 24 3HG2 ILE 24 10.140 -0.078 -9.054 197 HD11 ILE 24 1HD1 ILE 24 11.021 -0.366 -5.377 198 HD12 ILE 24 2HD1 ILE 24 11.924 -0.227 -6.897 199 HD13 ILE 24 3HD1 ILE 24 10.236 0.339 -6.797 200 H ASP 25 H ASP 25 7.913 -4.584 -9.570 201 HA ASP 25 HA ASP 25 8.876 -4.929 -12.335 202 HB2 ASP 25 1HB ASP 25 7.431 -6.618 -11.278 203 HB3 ASP 25 2HB ASP 25 6.163 -5.409 -11.072 204 H GLN 26 H GLN 26 8.944 -3.221 -13.639 205 HA GLN 26 HA GLN 26 7.567 -0.761 -13.048 206 HB2 GLN 26 1HB GLN 26 9.016 -1.532 -15.563 207 HB3 GLN 26 2HB GLN 26 8.539 0.097 -15.112 208 HG2 GLN 26 1HG GLN 26 10.506 -1.590 -13.478 209 HG3 GLN 26 2HG GLN 26 10.964 -0.498 -14.769 210 HE21 GLN 26 1HE2 GLN 26 12.219 0.860 -13.428 211 HE22 GLN 26 2HE2 GLN 26 11.456 1.953 -12.288 212 H LYS 27 H LYS 27 6.369 -3.584 -14.595 213 HA LYS 27 HA LYS 27 4.256 -2.217 -16.135 214 HB2 LYS 27 1HB LYS 27 4.285 -5.088 -15.146 215 HB3 LYS 27 2HB LYS 27 3.298 -4.405 -16.425 216 HG2 LYS 27 1HG LYS 27 6.287 -4.936 -16.512 217 HG3 LYS 27 2HG LYS 27 5.007 -5.804 -17.344 218 HD2 LYS 27 1HD LYS 27 4.539 -3.687 -18.672 219 HD3 LYS 27 2HD LYS 27 5.985 -2.972 -17.900 220 HE2 LYS 27 1HE LYS 27 7.267 -5.043 -18.649 221 HE3 LYS 27 2HE LYS 27 5.844 -5.525 -19.574 222 HZ1 LYS 27 1HZ LYS 27 6.111 -3.410 -20.838 223 HZ2 LYS 27 2HZ LYS 27 7.432 -4.399 -20.948 224 HZ3 LYS 27 3HZ LYS 27 7.499 -3.093 -19.992 225 H LYS 28 H LYS 28 4.633 -3.441 -12.831 226 HA LYS 28 HA LYS 28 1.768 -3.380 -12.171 227 HB2 LYS 28 1HB LYS 28 4.314 -3.922 -10.597 228 HB3 LYS 28 2HB LYS 28 2.756 -3.708 -9.789 229 HG2 LYS 28 1HG LYS 28 1.784 -5.573 -11.031 230 HG3 LYS 28 2HG LYS 28 3.266 -5.760 -11.975 231 HD2 LYS 28 1HD LYS 28 3.135 -7.462 -10.236 232 HD3 LYS 28 2HD LYS 28 4.518 -6.398 -9.965 233 HE2 LYS 28 1HE LYS 28 3.294 -5.179 -8.220 234 HE3 LYS 28 2HE LYS 28 1.860 -6.182 -8.493 235 HZ1 LYS 28 1HZ LYS 28 4.494 -7.291 -7.680 236 HZ2 LYS 28 2HZ LYS 28 3.067 -8.093 -7.715 237 HZ3 LYS 28 3HZ LYS 28 3.338 -6.914 -6.609 238 HA PRO 29 HA PRO 29 1.622 0.908 -10.864 239 HB2 PRO 29 1HB PRO 29 -0.450 0.839 -9.057 240 HB3 PRO 29 2HB PRO 29 -0.699 0.701 -10.816 241 HG2 PRO 29 1HG PRO 29 -0.587 -1.510 -8.784 242 HG3 PRO 29 2HG PRO 29 -1.746 -1.303 -10.130 243 HD2 PRO 29 1HD PRO 29 0.424 -2.965 -10.262 244 HD3 PRO 29 2HD PRO 29 -0.214 -2.111 -11.692 245 H LEU 30 H LEU 30 2.551 2.143 -9.291 246 HA LEU 30 HA LEU 30 4.157 0.915 -7.274 247 HB2 LEU 30 1HB LEU 30 3.116 3.744 -7.683 248 HB3 LEU 30 2HB LEU 30 4.203 3.342 -6.353 249 HG LEU 30 HG LEU 30 4.940 2.719 -9.236 250 HD11 LEU 30 1HD1 LEU 30 4.443 5.073 -9.092 251 HD12 LEU 30 2HD1 LEU 30 6.196 4.841 -9.191 252 HD13 LEU 30 3HD1 LEU 30 5.444 5.244 -7.627 253 HD21 LEU 30 1HD2 LEU 30 6.617 3.160 -6.722 254 HD22 LEU 30 2HD2 LEU 30 7.240 2.806 -8.350 255 HD23 LEU 30 3HD2 LEU 30 6.295 1.587 -7.486 256 H SER 31 H SER 31 0.798 2.177 -7.039 257 HA SER 31 HA SER 31 0.525 2.091 -4.240 258 HB2 SER 31 1HB SER 31 -1.574 1.311 -6.305 259 HB3 SER 31 2HB SER 31 -1.870 1.857 -4.644 260 HG SER 31 HG SER 31 -2.102 3.564 -6.155 261 H ALA 32 H ALA 32 0.204 -0.627 -6.579 262 HA ALA 32 HA ALA 32 -0.510 -2.584 -4.543 263 HB1 ALA 32 1HB ALA 32 -0.135 -4.199 -6.378 264 HB2 ALA 32 2HB ALA 32 -1.129 -2.839 -6.930 265 HB3 ALA 32 3HB ALA 32 0.590 -2.925 -7.380 266 H ILE 33 H ILE 33 2.562 -1.606 -6.109 267 HA ILE 33 HA ILE 33 4.198 -3.608 -4.825 268 HB ILE 33 HB ILE 33 4.946 -0.873 -5.937 269 HG12 ILE 33 1HG1 ILE 33 5.125 -3.648 -7.202 270 HG13 ILE 33 2HG1 ILE 33 3.889 -2.464 -7.585 271 HG21 ILE 33 1HG2 ILE 33 6.752 -3.255 -5.301 272 HG22 ILE 33 2HG2 ILE 33 7.252 -1.707 -6.017 273 HG23 ILE 33 3HG2 ILE 33 6.685 -1.750 -4.362 274 HD11 ILE 33 1HD1 ILE 33 5.484 -2.343 -9.318 275 HD12 ILE 33 2HD1 ILE 33 5.713 -0.881 -8.340 276 HD13 ILE 33 3HD1 ILE 33 6.842 -2.258 -8.194 277 H ILE 34 H ILE 34 3.477 -0.192 -3.903 278 HA ILE 34 HA ILE 34 5.016 -0.137 -1.512 279 HB ILE 34 HB ILE 34 2.577 1.420 -2.419 280 HG12 ILE 34 1HG1 ILE 34 5.429 2.424 -2.027 281 HG13 ILE 34 2HG1 ILE 34 4.961 1.629 -3.521 282 HG21 ILE 34 1HG2 ILE 34 4.258 1.899 0.086 283 HG22 ILE 34 2HG2 ILE 34 3.076 3.043 -0.582 284 HG23 ILE 34 3HG2 ILE 34 2.526 1.501 0.032 285 HD11 ILE 34 1HD1 ILE 34 3.196 3.315 -3.919 286 HD12 ILE 34 2HD1 ILE 34 3.660 4.157 -2.434 287 HD13 ILE 34 3HD1 ILE 34 4.808 4.043 -3.781 288 H LYS 35 H LYS 35 1.598 -1.233 -2.019 289 HA LYS 35 HA LYS 35 1.070 -1.888 0.704 290 HB2 LYS 35 1HB LYS 35 -0.636 -1.903 -1.102 291 HB3 LYS 35 2HB LYS 35 0.115 -3.336 -1.798 292 HG2 LYS 35 1HG LYS 35 -0.274 -4.583 0.299 293 HG3 LYS 35 2HG LYS 35 -1.029 -3.151 1.021 294 HD2 LYS 35 1HD LYS 35 -2.772 -3.215 -0.745 295 HD3 LYS 35 2HD LYS 35 -2.018 -4.650 -1.452 296 HE2 LYS 35 1HE LYS 35 -3.102 -4.451 1.403 297 HE3 LYS 35 2HE LYS 35 -3.990 -5.145 0.043 298 HZ1 LYS 35 1HZ LYS 35 -1.419 -6.217 1.131 299 HZ2 LYS 35 2HZ LYS 35 -2.228 -6.829 -0.157 300 HZ3 LYS 35 3HZ LYS 35 -2.897 -6.874 1.329 301 H GLU 36 H GLU 36 2.681 -3.872 -1.842 302 HA GLU 36 HA GLU 36 3.179 -6.126 -0.135 303 HB2 GLU 36 1HB GLU 36 4.210 -5.128 -2.810 304 HB3 GLU 36 2HB GLU 36 4.837 -6.582 -2.078 305 HG2 GLU 36 1HG GLU 36 2.616 -7.597 -2.009 306 HG3 GLU 36 2HG GLU 36 1.872 -6.114 -2.604 307 H VAL 37 H VAL 37 5.060 -3.122 -0.688 308 HA VAL 37 HA VAL 37 7.376 -4.008 0.806 309 HB VAL 37 HB VAL 37 6.378 -1.139 0.650 310 HG11 VAL 37 1HG1 VAL 37 9.144 -2.337 1.146 311 HG12 VAL 37 2HG1 VAL 37 8.740 -0.609 1.101 312 HG13 VAL 37 3HG1 VAL 37 8.102 -1.642 2.387 313 HG21 VAL 37 1HG2 VAL 37 6.780 -1.968 -1.656 314 HG22 VAL 37 2HG2 VAL 37 7.975 -0.786 -1.159 315 HG23 VAL 37 3HG2 VAL 37 8.384 -2.514 -1.170 316 H CYS 38 H CYS 38 4.468 -2.116 1.773 317 HA CYS 38 HA CYS 38 5.116 -1.914 4.532 318 HB2 CYS 38 1HB CYS 38 2.385 -1.858 3.170 319 HB3 CYS 38 2HB CYS 38 2.707 -1.335 4.810 320 HG CYS 38 HG CYS 38 3.829 -0.140 1.945 321 H ASP 39 H ASP 39 3.066 -4.342 2.858 322 HA ASP 39 HA ASP 39 2.414 -5.967 5.092 323 HB2 ASP 39 1HB ASP 39 2.786 -6.561 2.133 324 HB3 ASP 39 2HB ASP 39 2.260 -7.782 3.267 325 H GLY 40 H GLY 40 5.445 -5.800 3.254 326 HA2 GLY 40 1HA GLY 40 6.700 -8.187 4.204 327 HA3 GLY 40 2HA GLY 40 7.503 -6.714 3.639 328 H TRP 41 H TRP 41 6.162 -5.079 5.791 329 HA TRP 41 HA TRP 41 7.545 -6.072 8.247 330 HB2 TRP 41 1HB TRP 41 7.196 -3.251 7.195 331 HB3 TRP 41 2HB TRP 41 7.756 -3.629 8.817 332 HD1 TRP 41 HD TRP 41 9.963 -5.553 8.667 333 HE1 TRP 41 1HE TRP 41 12.144 -5.193 7.361 334 HE3 TRP 41 3HE TRP 41 8.337 -2.047 5.301 335 HZ2 TRP 41 2HZ TRP 41 13.089 -3.544 5.207 336 HZ3 TRP 41 3HZ TRP 41 9.935 -1.069 3.657 337 HH2 TRP 41 HH TRP 41 12.285 -1.805 3.602 338 H SER 42 H SER 42 4.635 -6.275 7.135 339 HA SER 42 HA SER 42 2.513 -6.217 7.850 340 HB2 SER 42 1HB SER 42 3.598 -7.727 9.519 341 HB3 SER 42 2HB SER 42 3.634 -6.374 10.660 342 HG SER 42 HG SER 42 1.368 -6.276 10.530 343 H LEU 43 H LEU 43 3.681 -3.618 7.418 344 HA LEU 43 HA LEU 43 2.636 -1.734 9.389 345 HB2 LEU 43 1HB LEU 43 3.837 -1.477 6.620 346 HB3 LEU 43 2HB LEU 43 3.249 -0.083 7.477 347 HG LEU 43 HG LEU 43 5.370 -1.990 8.596 348 HD11 LEU 43 1HD1 LEU 43 7.038 -0.362 7.883 349 HD12 LEU 43 2HD1 LEU 43 5.777 0.642 7.134 350 HD13 LEU 43 3HD1 LEU 43 6.144 -0.976 6.492 351 HD21 LEU 43 1HD2 LEU 43 4.619 0.868 9.359 352 HD22 LEU 43 2HD2 LEU 43 5.952 -0.081 10.053 353 HD23 LEU 43 3HD2 LEU 43 4.283 -0.589 10.324 354 H ALA 44 H ALA 44 0.655 -0.987 9.555 355 HA ALA 44 HA ALA 44 -1.455 -1.600 7.646 356 HB1 ALA 44 1HB ALA 44 -1.816 -1.620 10.093 357 HB2 ALA 44 2HB ALA 44 -1.430 0.116 10.169 358 HB3 ALA 44 3HB ALA 44 -2.873 -0.441 9.297 359 H ASN 45 H ASN 45 -2.908 0.062 6.831 360 HA ASN 45 HA ASN 45 -3.387 1.801 5.460 361 HB2 ASN 45 1HB ASN 45 -1.883 3.403 7.551 362 HB3 ASN 45 2HB ASN 45 -3.112 4.009 6.448 363 HD21 ASN 45 1HD2 ASN 45 -2.774 3.372 9.585 364 HD22 ASN 45 2HD2 ASN 45 -4.387 2.771 9.944 365 H HIS 46 H HIS 46 -1.544 0.519 4.127 366 HA HIS 46 HA HIS 46 0.852 1.857 3.403 367 HB2 HIS 46 1HB HIS 46 0.870 0.428 1.484 368 HB3 HIS 46 2HB HIS 46 0.252 -0.498 2.848 369 HD2 HIS 46 2HD HIS 46 -0.779 0.984 -0.530 370 HE1 HIS 46 1HE HIS 46 -4.195 -1.145 0.872 371 HE2 HIS 46 2HE HIS 46 -3.221 0.150 -1.084 372 H GLU 47 H GLU 47 -2.423 2.722 2.589 373 HA GLU 47 HA GLU 47 -2.101 4.335 0.276 374 HB2 GLU 47 1HB GLU 47 -3.804 4.839 2.757 375 HB3 GLU 47 2HB GLU 47 -4.041 5.601 1.193 376 HG2 GLU 47 1HG GLU 47 -4.381 2.643 1.834 377 HG3 GLU 47 2HG GLU 47 -5.664 3.825 1.624 378 H TYR 48 H TYR 48 -1.079 4.953 3.621 379 HA TYR 48 HA TYR 48 -0.526 7.801 3.196 380 HB2 TYR 48 1HB TYR 48 0.467 5.949 5.381 381 HB3 TYR 48 2HB TYR 48 0.462 7.702 5.409 382 HD1 TYR 48 1HD TYR 48 -0.410 6.413 7.694 383 HD2 TYR 48 2HD TYR 48 -2.729 7.258 4.146 384 HE1 TYR 48 1HE TYR 48 -2.484 6.361 9.039 385 HE2 TYR 48 2HE TYR 48 -4.809 7.113 5.476 386 HH TYR 48 HH TYR 48 -4.783 6.542 9.022 387 H PHE 49 H PHE 49 1.146 4.910 2.328 388 HA PHE 49 HA PHE 49 3.830 6.025 2.842 389 HB2 PHE 49 1HB PHE 49 2.795 3.252 2.280 390 HB3 PHE 49 2HB PHE 49 4.492 3.646 2.118 391 HD1 PHE 49 1HD PHE 49 1.676 3.609 4.587 392 HD2 PHE 49 2HD PHE 49 5.939 3.900 3.987 393 HE1 PHE 49 1HE PHE 49 2.033 3.367 7.025 394 HE2 PHE 49 2HE PHE 49 6.283 3.690 6.430 395 HZ PHE 49 HZ PHE 49 4.343 3.411 7.957 396 H ALA 50 H ALA 50 5.515 5.856 1.429 397 HA ALA 50 HA ALA 50 5.096 5.531 -1.457 398 HB1 ALA 50 1HB ALA 50 6.226 8.073 -0.189 399 HB2 ALA 50 2HB ALA 50 6.240 7.689 -1.924 400 HB3 ALA 50 3HB ALA 50 4.695 7.941 -1.090 401 H LEU 51 H LEU 51 7.037 5.064 -2.550 402 HA LEU 51 HA LEU 51 9.348 4.214 -0.883 403 HB2 LEU 51 1HB LEU 51 8.488 3.813 -3.756 404 HB3 LEU 51 2HB LEU 51 10.186 3.635 -3.328 405 HG LEU 51 HG LEU 51 7.983 2.093 -1.893 406 HD11 LEU 51 1HD1 LEU 51 8.630 0.186 -3.349 407 HD12 LEU 51 2HD1 LEU 51 9.682 1.273 -4.282 408 HD13 LEU 51 3HD1 LEU 51 7.923 1.519 -4.276 409 HD21 LEU 51 1HD2 LEU 51 11.004 1.671 -2.135 410 HD22 LEU 51 2HD2 LEU 51 9.874 0.587 -1.308 411 HD23 LEU 51 3HD2 LEU 51 10.144 2.209 -0.675 412 H GLN 52 H GLN 52 11.430 5.065 -1.279 413 HA GLN 52 HA GLN 52 11.666 7.661 -2.702 414 HB2 GLN 52 1HB GLN 52 10.852 8.083 -0.392 415 HB3 GLN 52 2HB GLN 52 12.227 7.183 0.256 416 HG2 GLN 52 1HG GLN 52 13.762 8.908 -0.760 417 HG3 GLN 52 2HG GLN 52 12.329 9.766 -1.344 418 HE21 GLN 52 1HE2 GLN 52 12.638 11.642 -0.128 419 HE22 GLN 52 2HE2 GLN 52 12.546 11.641 1.626 420 H HIS 53 H HIS 53 13.817 8.228 -3.211 421 HA HIS 53 HA HIS 53 15.714 6.035 -3.493 422 HB2 HIS 53 1HB HIS 53 15.768 8.978 -4.118 423 HB3 HIS 53 2HB HIS 53 17.276 8.072 -4.071 424 HD2 HIS 53 2HD HIS 53 14.178 8.510 -6.239 425 HE1 HIS 53 1HE HIS 53 16.594 5.585 -8.185 426 HE2 HIS 53 2HE HIS 53 14.551 7.090 -8.426 427 H ALA 54 H ALA 54 17.592 5.573 -2.486 428 HA ALA 54 HA ALA 54 18.515 7.270 -0.225 429 HB1 ALA 54 1HB ALA 54 18.076 4.262 -0.120 430 HB2 ALA 54 2HB ALA 54 18.826 5.243 1.157 431 HB3 ALA 54 3HB ALA 54 17.120 5.491 0.732 432 H ASP 55 H ASP 55 19.360 5.030 -2.850 433 HA ASP 55 HA ASP 55 22.136 4.751 -2.312 434 HB2 ASP 55 1HB ASP 55 20.832 3.467 -3.993 435 HB3 ASP 55 2HB ASP 55 20.671 4.914 -4.982 436 H SER 56 H SER 56 20.395 7.310 -4.081 437 HA SER 56 HA SER 56 22.446 9.275 -3.454 438 HB2 SER 56 1HB SER 56 23.367 8.326 -5.557 439 HB3 SER 56 2HB SER 56 21.828 8.655 -6.370 440 HG SER 56 HG SER 56 23.756 10.486 -5.364 441 H SER 57 H SER 57 21.449 11.139 -3.022 442 HA SER 57 HA SER 57 19.795 12.585 -2.510 443 HB2 SER 57 1HB SER 57 19.910 12.992 -4.975 444 HB3 SER 57 2HB SER 57 18.516 11.911 -5.168 445 HG SER 57 HG SER 57 17.877 14.094 -4.999 446 H ASN 58 H ASN 58 17.226 12.815 -2.536 447 HA ASN 58 HA ASN 58 15.961 10.328 -1.476 448 HB2 ASN 58 1HB ASN 58 16.120 12.977 -0.004 449 HB3 ASN 58 2HB ASN 58 15.164 11.582 0.488 450 HD21 ASN 58 1HD2 ASN 58 16.866 9.397 0.200 451 HD22 ASN 58 2HD2 ASN 58 18.209 9.660 1.299 452 H PHE 59 H PHE 59 15.560 11.473 -4.039 453 HA PHE 59 HA PHE 59 13.067 12.881 -4.180 454 HB2 PHE 59 1HB PHE 59 14.077 10.790 -6.133 455 HB3 PHE 59 2HB PHE 59 12.945 12.088 -6.457 456 HD1 PHE 59 1HD PHE 59 16.167 11.053 -7.097 457 HD2 PHE 59 2HD PHE 59 14.040 14.559 -5.754 458 HE1 PHE 59 1HE PHE 59 18.009 12.494 -7.933 459 HE2 PHE 59 2HE PHE 59 15.892 15.994 -6.580 460 HZ PHE 59 HZ PHE 59 17.874 14.966 -7.678 461 H TYR 60 H TYR 60 10.971 12.203 -3.923 462 HA TYR 60 HA TYR 60 10.335 9.520 -2.998 463 HB2 TYR 60 1HB TYR 60 8.570 11.825 -3.890 464 HB3 TYR 60 2HB TYR 60 7.972 10.297 -3.265 465 HD1 TYR 60 1HD TYR 60 9.505 13.515 -2.375 466 HD2 TYR 60 2HD TYR 60 8.345 9.622 -0.911 467 HE1 TYR 60 1HE TYR 60 9.671 14.342 -0.028 468 HE2 TYR 60 2HE TYR 60 8.473 10.468 1.426 469 HH TYR 60 HH TYR 60 8.948 12.248 2.787 470 H ILE 61 H ILE 61 9.348 7.847 -4.148 471 HA ILE 61 HA ILE 61 9.693 7.840 -7.071 472 HB ILE 61 HB ILE 61 8.737 5.687 -5.163 473 HG12 ILE 61 1HG1 ILE 61 11.031 6.161 -4.624 474 HG13 ILE 61 2HG1 ILE 61 10.969 4.655 -5.509 475 HG21 ILE 61 1HG2 ILE 61 9.205 4.117 -7.025 476 HG22 ILE 61 2HG2 ILE 61 7.905 5.239 -7.399 477 HG23 ILE 61 3HG2 ILE 61 9.510 5.502 -8.101 478 HD11 ILE 61 1HD1 ILE 61 12.876 5.903 -6.244 479 HD12 ILE 61 2HD1 ILE 61 11.717 5.934 -7.584 480 HD13 ILE 61 3HD1 ILE 61 11.915 7.362 -6.542 481 H THR 62 H THR 62 8.141 7.969 -8.549 482 HA THR 62 HA THR 62 5.263 7.770 -7.901 483 HB THR 62 HB THR 62 4.668 9.829 -8.934 484 HG1 THR 62 1HG THR 62 6.372 11.257 -9.659 485 HG21 THR 62 1HG2 THR 62 5.593 11.570 -7.550 486 HG22 THR 62 2HG2 THR 62 7.024 10.592 -7.165 487 HG23 THR 62 3HG2 THR 62 5.420 10.110 -6.562 488 H GLU 63 H GLU 63 3.969 7.792 -10.041 489 HA GLU 63 HA GLU 63 5.125 5.993 -11.954 490 HB2 GLU 63 1HB GLU 63 2.706 7.806 -12.200 491 HB3 GLU 63 2HB GLU 63 3.080 6.473 -13.282 492 HG2 GLU 63 1HG GLU 63 2.444 6.225 -10.305 493 HG3 GLU 63 2HG GLU 63 1.329 5.910 -11.621 494 H LYS 64 H LYS 64 5.598 9.349 -11.619 495 HA LYS 64 HA LYS 64 6.604 9.723 -14.406 496 HB2 LYS 64 1HB LYS 64 6.004 11.648 -12.130 497 HB3 LYS 64 2HB LYS 64 6.752 12.139 -13.649 498 HG2 LYS 64 1HG LYS 64 4.834 11.482 -14.945 499 HG3 LYS 64 2HG LYS 64 4.037 10.749 -13.553 500 HD2 LYS 64 1HD LYS 64 4.711 13.719 -13.737 501 HD3 LYS 64 2HD LYS 64 3.164 13.014 -14.209 502 HE2 LYS 64 1HE LYS 64 3.041 11.997 -11.854 503 HE3 LYS 64 2HE LYS 64 4.410 13.035 -11.431 504 HZ1 LYS 64 1HZ LYS 64 2.995 14.950 -12.141 505 HZ2 LYS 64 2HZ LYS 64 2.351 14.136 -10.878 506 HZ3 LYS 64 3HZ LYS 64 1.735 13.916 -12.375 507 H ASN 65 H ASN 65 7.843 8.782 -11.405 508 HA ASN 65 HA ASN 65 10.601 9.739 -12.104 509 HB2 ASN 65 1HB ASN 65 9.169 10.799 -10.126 510 HB3 ASN 65 2HB ASN 65 9.685 9.365 -9.248 511 HD21 ASN 65 1HD2 ASN 65 12.387 9.120 -10.155 512 HD22 ASN 65 2HD2 ASN 65 13.232 10.576 -9.626 513 H ARG 66 H ARG 66 8.708 6.932 -11.291 514 HA ARG 66 HA ARG 66 10.676 5.252 -10.142 515 HB2 ARG 66 1HB ARG 66 9.204 3.429 -10.720 516 HB3 ARG 66 2HB ARG 66 8.254 4.808 -10.178 517 HG2 ARG 66 1HG ARG 66 7.822 5.396 -12.617 518 HG3 ARG 66 2HG ARG 66 8.639 3.894 -13.073 519 HD2 ARG 66 1HD ARG 66 6.150 4.131 -11.339 520 HD3 ARG 66 2HD ARG 66 6.191 3.656 -13.041 521 HE ARG 66 HE ARG 66 7.915 1.888 -11.686 522 HH11 ARG 66 1HH1 ARG 66 4.440 2.503 -11.959 523 HH12 ARG 66 2HH1 ARG 66 4.110 0.814 -11.570 524 HH21 ARG 66 1HH2 ARG 66 7.301 -0.106 -10.973 525 HH22 ARG 66 2HH2 ARG 66 5.614 -0.571 -11.058 526 H ASN 67 H ASN 67 10.534 6.277 -13.423 527 HA ASN 67 HA ASN 67 11.999 4.164 -14.694 528 HB2 ASN 67 1HB ASN 67 12.308 5.768 -16.465 529 HB3 ASN 67 2HB ASN 67 10.691 6.030 -15.825 530 HD21 ASN 67 1HD2 ASN 67 13.686 7.514 -16.551 531 HD22 ASN 67 2HD2 ASN 67 13.533 8.944 -15.543 532 H GLU 68 H GLU 68 13.034 6.705 -12.478 533 HA GLU 68 HA GLU 68 15.863 6.604 -13.173 534 HB2 GLU 68 1HB GLU 68 14.498 7.630 -10.659 535 HB3 GLU 68 2HB GLU 68 16.156 7.946 -11.147 536 HG2 GLU 68 1HG GLU 68 13.623 8.938 -12.501 537 HG3 GLU 68 2HG GLU 68 14.805 9.881 -11.607 538 H ILE 69 H ILE 69 13.854 4.401 -11.443 539 HA ILE 69 HA ILE 69 15.918 3.361 -9.646 540 HB ILE 69 HB ILE 69 13.294 2.117 -10.545 541 HG12 ILE 69 1HG1 ILE 69 13.879 3.673 -7.979 542 HG13 ILE 69 2HG1 ILE 69 12.971 4.311 -9.349 543 HG21 ILE 69 1HG2 ILE 69 14.998 0.501 -9.645 544 HG22 ILE 69 2HG2 ILE 69 15.065 1.459 -8.154 545 HG23 ILE 69 3HG2 ILE 69 13.570 0.623 -8.637 546 HD11 ILE 69 1HD1 ILE 69 11.386 3.589 -7.724 547 HD12 ILE 69 2HD1 ILE 69 11.299 2.458 -9.085 548 HD13 ILE 69 3HD1 ILE 69 12.131 2.004 -7.575 549 H LYS 70 H LYS 70 17.413 1.926 -10.144 550 HA LYS 70 HA LYS 70 17.215 0.250 -12.613 551 HB2 LYS 70 1HB LYS 70 19.695 1.576 -11.431 552 HB3 LYS 70 2HB LYS 70 19.691 0.482 -12.821 553 HG2 LYS 70 1HG LYS 70 18.248 2.059 -14.079 554 HG3 LYS 70 2HG LYS 70 18.276 3.193 -12.729 555 HD2 LYS 70 1HD LYS 70 20.743 2.270 -14.248 556 HD3 LYS 70 2HD LYS 70 19.853 3.771 -14.551 557 HE2 LYS 70 1HE LYS 70 20.275 4.483 -12.193 558 HE3 LYS 70 2HE LYS 70 21.238 3.024 -11.935 559 HZ1 LYS 70 1HZ LYS 70 21.865 5.150 -13.917 560 HZ2 LYS 70 2HZ LYS 70 22.759 3.801 -13.680 561 HZ3 LYS 70 3HZ LYS 70 22.640 4.922 -12.501 562 H ASN 71 H ASN 71 18.794 -1.656 -12.503 563 HA ASN 71 HA ASN 71 18.142 -3.323 -10.273 564 HB2 ASN 71 1HB ASN 71 19.817 -4.870 -11.257 565 HB3 ASN 71 2HB ASN 71 18.650 -4.284 -12.431 566 HD21 ASN 71 1HD2 ASN 71 21.966 -4.776 -11.916 567 HD22 ASN 71 2HD2 ASN 71 22.534 -3.731 -13.208 568 H GLY 72 H GLY 72 18.938 -3.442 -8.304 569 HA2 GLY 72 1HA GLY 72 20.515 -3.502 -6.580 570 HA3 GLY 72 2HA GLY 72 21.731 -2.761 -7.618 571 H THR 73 H THR 73 18.717 -1.010 -7.642 572 HA THR 73 HA THR 73 19.928 1.287 -6.364 573 HB THR 73 HB THR 73 17.004 0.804 -7.004 574 HG1 THR 73 1HG THR 73 18.288 0.788 -8.794 575 HG21 THR 73 1HG2 THR 73 17.223 2.671 -5.402 576 HG22 THR 73 2HG2 THR 73 16.830 3.277 -7.011 577 HG23 THR 73 3HG2 THR 73 18.496 3.400 -6.407 578 H ILE 74 H ILE 74 20.069 1.837 -4.277 579 HA ILE 74 HA ILE 74 18.555 0.381 -2.216 580 HB ILE 74 HB ILE 74 20.436 2.710 -1.788 581 HG12 ILE 74 1HG1 ILE 74 21.110 -0.268 -1.636 582 HG13 ILE 74 2HG1 ILE 74 21.611 0.798 -2.949 583 HG21 ILE 74 1HG2 ILE 74 20.495 1.909 0.523 584 HG22 ILE 74 2HG2 ILE 74 18.818 2.147 0.063 585 HG23 ILE 74 3HG2 ILE 74 19.482 0.511 0.102 586 HD11 ILE 74 1HD1 ILE 74 23.461 0.570 -1.475 587 HD12 ILE 74 2HD1 ILE 74 22.844 2.228 -1.337 588 HD13 ILE 74 3HD1 ILE 74 22.500 1.028 -0.062 589 H LEU 75 H LEU 75 16.723 1.049 -1.404 590 HA LEU 75 HA LEU 75 15.665 3.801 -1.907 591 HB2 LEU 75 1HB LEU 75 14.197 1.140 -1.970 592 HB3 LEU 75 2HB LEU 75 13.420 2.714 -2.098 593 HG LEU 75 HG LEU 75 15.344 1.514 -4.136 594 HD11 LEU 75 1HD1 LEU 75 13.350 1.366 -5.540 595 HD12 LEU 75 2HD1 LEU 75 12.346 2.047 -4.247 596 HD13 LEU 75 3HD1 LEU 75 13.106 0.454 -4.039 597 HD21 LEU 75 1HD2 LEU 75 15.535 3.954 -4.187 598 HD22 LEU 75 2HD2 LEU 75 13.763 4.128 -4.189 599 HD23 LEU 75 3HD2 LEU 75 14.602 3.413 -5.580 600 H ARG 76 H ARG 76 13.760 4.201 -0.433 601 HA ARG 76 HA ARG 76 13.967 3.042 2.313 602 HB2 ARG 76 1HB ARG 76 15.292 5.067 2.316 603 HB3 ARG 76 2HB ARG 76 14.044 5.968 1.449 604 HG2 ARG 76 1HG ARG 76 12.548 5.855 3.375 605 HG3 ARG 76 2HG ARG 76 13.699 4.812 4.238 606 HD2 ARG 76 1HD ARG 76 15.355 6.660 4.227 607 HD3 ARG 76 2HD ARG 76 14.229 7.687 3.337 608 HE ARG 76 HE ARG 76 14.034 6.823 6.180 609 HH11 ARG 76 1HH1 ARG 76 12.567 8.816 3.647 610 HH12 ARG 76 2HH1 ARG 76 11.290 9.308 4.719 611 HH21 ARG 76 1HH2 ARG 76 12.489 7.726 7.496 612 HH22 ARG 76 2HH2 ARG 76 11.387 8.906 6.848 613 H LEU 77 H LEU 77 12.032 2.595 3.211 614 HA LEU 77 HA LEU 77 9.532 3.404 1.823 615 HB2 LEU 77 1HB LEU 77 9.619 1.127 2.645 616 HB3 LEU 77 2HB LEU 77 10.054 1.673 4.269 617 HG LEU 77 HG LEU 77 7.788 2.821 4.345 618 HD11 LEU 77 1HD1 LEU 77 6.085 1.918 2.694 619 HD12 LEU 77 2HD1 LEU 77 7.409 1.206 1.770 620 HD13 LEU 77 3HD1 LEU 77 7.287 2.969 1.930 621 HD21 LEU 77 1HD2 LEU 77 6.522 0.799 4.763 622 HD22 LEU 77 2HD2 LEU 77 8.166 0.656 5.416 623 HD23 LEU 77 3HD2 LEU 77 7.733 -0.166 3.905 624 H THR 78 H THR 78 8.218 5.039 2.537 625 HA THR 78 HA THR 78 8.632 6.308 5.173 626 HB THR 78 HB THR 78 10.402 7.219 3.809 627 HG1 THR 78 1HG THR 78 8.391 9.197 4.045 628 HG21 THR 78 1HG2 THR 78 9.630 7.014 1.541 629 HG22 THR 78 2HG2 THR 78 9.983 8.703 1.881 630 HG23 THR 78 3HG2 THR 78 8.291 8.144 1.833 631 H THR 79 H THR 79 6.932 7.837 5.733 632 HA THR 79 HA THR 79 4.425 7.452 4.250 633 HB THR 79 HB THR 79 3.542 9.245 5.760 634 HG1 THR 79 1HG THR 79 5.513 10.167 6.410 635 HG21 THR 79 1HG2 THR 79 3.121 6.882 6.168 636 HG22 THR 79 2HG2 THR 79 3.333 7.760 7.684 637 HG23 THR 79 3HG2 THR 79 4.653 6.739 7.062 638 H SER 80 H SER 80 3.485 8.826 2.875 639 HA SER 80 HA SER 80 5.112 10.422 1.164 640 HB2 SER 80 1HB SER 80 3.224 9.228 0.297 641 HB3 SER 80 2HB SER 80 2.135 9.951 1.474 642 HG SER 80 HG SER 80 3.086 10.978 -0.918 643 HA PRO 81 HA PRO 81 4.447 14.524 3.018 644 HB2 PRO 81 1HB PRO 81 4.884 16.160 0.884 645 HB3 PRO 81 2HB PRO 81 6.197 15.247 1.684 646 HG2 PRO 81 1HG PRO 81 4.660 14.474 -0.819 647 HG3 PRO 81 2HG PRO 81 6.438 14.513 -0.573 648 HD2 PRO 81 1HD PRO 81 5.011 12.214 -0.321 649 HD3 PRO 81 2HD PRO 81 6.393 12.567 0.749 650 H ALA 82 H ALA 82 2.534 13.175 0.423 651 HA ALA 82 HA ALA 82 0.410 15.263 0.704 652 HB1 ALA 82 1HB ALA 82 0.977 13.273 -1.532 653 HB2 ALA 82 2HB ALA 82 -0.312 14.497 -1.514 654 HB3 ALA 82 3HB ALA 82 1.388 15.004 -1.535 655 H GLN 83 H GLN 83 0.914 11.721 0.679 656 HA GLN 83 HA GLN 83 -0.326 9.966 1.374 657 HB2 GLN 83 1HB GLN 83 -1.451 11.862 3.462 658 HB3 GLN 83 2HB GLN 83 -1.346 10.097 3.557 659 HG2 GLN 83 1HG GLN 83 1.146 10.260 3.434 660 HG3 GLN 83 2HG GLN 83 0.998 12.023 3.391 661 HE21 GLN 83 1HE2 GLN 83 2.525 11.778 5.188 662 HE22 GLN 83 2HE2 GLN 83 1.844 11.587 6.811 663 H ASN 84 H ASN 84 -1.473 11.336 -0.809 664 HA ASN 84 HA ASN 84 -4.279 10.434 -0.687 665 HB2 ASN 84 1HB ASN 84 -4.190 12.854 0.069 666 HB3 ASN 84 2HB ASN 84 -3.486 13.268 -1.493 667 HD21 ASN 84 1HD2 ASN 84 -5.317 14.694 -1.862 668 HD22 ASN 84 2HD2 ASN 84 -6.871 14.008 -2.316 669 H ALA 85 H ALA 85 -5.280 10.349 -2.828 670 HA ALA 85 HA ALA 85 -3.544 9.148 -4.786 671 HB1 ALA 85 1HB ALA 85 -5.850 8.393 -4.350 672 HB2 ALA 85 2HB ALA 85 -6.481 9.952 -4.935 673 HB3 ALA 85 3HB ALA 85 -5.642 8.852 -6.049 674 H GLN 86 H GLN 86 -3.297 9.712 -6.988 675 HA GLN 86 HA GLN 86 -3.860 12.434 -7.931 676 HB2 GLN 86 1HB GLN 86 -1.692 12.713 -6.824 677 HB3 GLN 86 2HB GLN 86 -1.037 11.313 -7.669 678 HG2 GLN 86 1HG GLN 86 -0.209 13.407 -8.627 679 HG3 GLN 86 2HG GLN 86 -1.131 12.500 -9.815 680 HE21 GLN 86 1HE2 GLN 86 -2.469 16.187 -8.646 681 HE22 GLN 86 2HE2 GLN 86 -1.095 15.457 -7.824 682 H GLN 87 H GLN 87 -4.074 12.518 -10.150 683 HA GLN 87 HA GLN 87 -3.783 9.958 -11.668 684 HB2 GLN 87 1HB GLN 87 -5.937 10.240 -12.638 685 HB3 GLN 87 2HB GLN 87 -6.090 10.318 -10.882 686 HG2 GLN 87 1HG GLN 87 -6.142 12.855 -11.077 687 HG3 GLN 87 2HG GLN 87 -6.160 12.665 -12.833 688 HE21 GLN 87 1HE2 GLN 87 -8.222 14.082 -11.928 689 HE22 GLN 87 2HE2 GLN 87 -9.687 13.108 -11.876 690 H LEU 88 H LEU 88 -2.912 13.250 -11.663 691 HA LEU 88 HA LEU 88 -2.701 13.533 -14.579 692 HB2 LEU 88 1HB LEU 88 -1.850 15.204 -12.192 693 HB3 LEU 88 2HB LEU 88 -1.216 15.525 -13.799 694 HG LEU 88 HG LEU 88 -3.469 15.877 -14.699 695 HD11 LEU 88 1HD1 LEU 88 -5.371 16.277 -13.141 696 HD12 LEU 88 2HD1 LEU 88 -4.411 15.582 -11.817 697 HD13 LEU 88 3HD1 LEU 88 -4.891 14.583 -13.211 698 HD21 LEU 88 1HD2 LEU 88 -2.827 17.551 -12.237 699 HD22 LEU 88 2HD2 LEU 88 -3.838 18.050 -13.613 700 HD23 LEU 88 3HD2 LEU 88 -2.110 17.751 -13.852 701 H HIS 89 H HIS 89 -1.522 11.863 -15.349 702 HA HIS 89 HA HIS 89 1.409 11.870 -14.832 703 HB2 HIS 89 1HB HIS 89 -0.256 9.344 -15.046 704 HB3 HIS 89 2HB HIS 89 1.481 9.446 -14.779 705 HD2 HIS 89 2HD HIS 89 -1.796 9.354 -12.981 706 HE1 HIS 89 1HE HIS 89 1.080 10.216 -9.951 707 HE2 HIS 89 2HE HIS 89 -1.337 9.513 -10.388 708 H GLU 90 H GLU 90 2.621 10.667 -16.513 709 HA GLU 90 HA GLU 90 1.359 10.827 -19.217 710 HB2 GLU 90 1HB GLU 90 3.074 12.555 -18.829 711 HB3 GLU 90 2HB GLU 90 4.248 11.313 -18.408 712 HG2 GLU 90 1HG GLU 90 4.624 12.158 -20.658 713 HG3 GLU 90 2HG GLU 90 4.221 10.452 -20.703 714 H ARG 91 H ARG 91 1.968 9.232 -20.753 715 HA ARG 91 HA ARG 91 2.020 6.535 -19.751 716 HB2 ARG 91 1HB ARG 91 0.966 7.245 -21.877 717 HB3 ARG 91 2HB ARG 91 2.558 7.634 -22.543 718 HG2 ARG 91 1HG ARG 91 3.213 5.231 -22.365 719 HG3 ARG 91 2HG ARG 91 1.639 4.863 -21.646 720 HD2 ARG 91 1HD ARG 91 1.604 4.241 -23.972 721 HD3 ARG 91 2HD ARG 91 0.521 5.607 -23.743 722 HE ARG 91 HE ARG 91 3.235 5.650 -25.043 723 HH11 ARG 91 1HH1 ARG 91 0.645 8.584 -25.764 724 HH12 ARG 91 2HH1 ARG 91 0.209 7.387 -24.576 725 HH21 ARG 91 1HH2 ARG 91 3.697 7.128 -26.465 726 HH22 ARG 91 2HH2 ARG 91 2.594 8.446 -26.835 727 H ILE 92 H ILE 92 3.645 5.229 -19.211 728 HA ILE 92 HA ILE 92 6.450 6.032 -19.461 729 HB ILE 92 HB ILE 92 5.191 3.449 -18.470 730 HG12 ILE 92 1HG1 ILE 92 6.431 5.787 -16.934 731 HG13 ILE 92 2HG1 ILE 92 4.701 5.498 -17.101 732 HG21 ILE 92 1HG2 ILE 92 7.498 3.042 -19.297 733 HG22 ILE 92 2HG2 ILE 92 8.097 4.392 -18.306 734 HG23 ILE 92 3HG2 ILE 92 7.438 2.925 -17.553 735 HD11 ILE 92 1HD1 ILE 92 5.323 4.700 -14.959 736 HD12 ILE 92 2HD1 ILE 92 4.992 3.274 -15.959 737 HD13 ILE 92 3HD1 ILE 92 6.672 3.749 -15.597 738 H GLN 93 H GLN 93 7.584 5.814 -21.248 739 HA GLN 93 HA GLN 93 7.361 3.416 -22.949 740 HB2 GLN 93 1HB GLN 93 5.724 5.189 -23.732 741 HB3 GLN 93 2HB GLN 93 7.107 6.190 -24.179 742 HG2 GLN 93 1HG GLN 93 7.818 4.532 -25.837 743 HG3 GLN 93 2HG GLN 93 6.660 3.354 -25.221 744 HE21 GLN 93 1HE2 GLN 93 6.552 3.723 -27.878 745 HE22 GLN 93 2HE2 GLN 93 5.157 4.706 -28.303 746 H SER 94 H SER 94 9.328 4.328 -21.074 747 HA SER 94 HA SER 94 11.567 5.615 -22.265 748 HB2 SER 94 1HB SER 94 11.517 3.692 -19.910 749 HB3 SER 94 2HB SER 94 12.761 4.906 -20.257 750 HG SER 94 HG SER 94 11.249 6.532 -19.877 751 H SER 95 H SER 95 13.643 4.807 -22.813 752 HA SER 95 HA SER 95 13.705 2.398 -24.406 753 HB2 SER 95 1HB SER 95 16.061 3.067 -24.786 754 HB3 SER 95 2HB SER 95 14.915 4.387 -25.066 755 HG SER 95 HG SER 95 16.749 5.040 -23.821 756 H SER 96 H SER 96 14.098 2.785 -21.084 757 HA SER 96 HA SER 96 14.758 1.518 -19.367 758 HB2 SER 96 1HB SER 96 13.645 -0.313 -20.633 759 HB3 SER 96 2HB SER 96 15.240 -0.795 -21.248 760 HG SER 96 HG SER 96 14.610 -1.927 -19.339 761 H MET 97 H MET 97 16.604 0.359 -18.318 762 HA MET 97 HA MET 97 18.973 1.984 -18.903 763 HB2 MET 97 1HB MET 97 19.740 1.442 -16.745 764 HB3 MET 97 2HB MET 97 18.044 1.847 -16.617 765 HG2 MET 97 1HG MET 97 19.232 -0.964 -16.589 766 HG3 MET 97 2HG MET 97 18.760 -0.045 -15.176 767 HE1 MET 97 1HE MET 97 14.818 0.002 -15.453 768 HE2 MET 97 2HE MET 97 16.240 0.673 -14.627 769 HE3 MET 97 3HE MET 97 15.825 1.214 -16.267 770 H ASP 98 H ASP 98 21.131 1.167 -18.827 771 HA ASP 98 HA ASP 98 21.522 -1.633 -19.767 772 HB2 ASP 98 1HB ASP 98 21.543 0.088 -21.620 773 HB3 ASP 98 2HB ASP 98 22.972 0.798 -20.869 774 H ALA 99 H ALA 99 21.715 -0.643 -17.105 775 HA ALA 99 HA ALA 99 24.470 -0.109 -16.389 776 HB1 ALA 99 1HB ALA 99 23.539 -0.027 -14.108 777 HB2 ALA 99 2HB ALA 99 22.546 0.904 -15.243 778 HB3 ALA 99 3HB ALA 99 22.005 -0.702 -14.697 779 H LYS 100 H LYS 100 23.087 -3.039 -17.213 780 HA LYS 100 HA LYS 100 24.147 -4.825 -15.213 781 HB2 LYS 100 1HB LYS 100 22.323 -5.242 -17.036 782 HB3 LYS 100 2HB LYS 100 23.676 -5.518 -18.128 783 HG2 LYS 100 1HG LYS 100 24.434 -7.235 -16.185 784 HG3 LYS 100 2HG LYS 100 22.750 -7.094 -15.710 785 HD2 LYS 100 1HD LYS 100 22.878 -9.011 -17.129 786 HD3 LYS 100 2HD LYS 100 22.122 -7.743 -18.093 787 HE2 LYS 100 1HE LYS 100 23.714 -8.775 -19.534 788 HE3 LYS 100 2HE LYS 100 24.425 -7.232 -19.070 789 HZ1 LYS 100 1HZ LYS 100 26.108 -8.866 -18.857 790 HZ2 LYS 100 2HZ LYS 100 25.147 -9.913 -18.031 791 HZ3 LYS 100 3HZ LYS 100 25.689 -8.542 -17.319 792 H LEU 101 H LEU 101 25.996 -6.045 -15.185 793 HA LEU 101 HA LEU 101 28.154 -5.609 -17.200 794 HB2 LEU 101 1HB LEU 101 28.439 -5.637 -14.168 795 HB3 LEU 101 2HB LEU 101 29.791 -5.661 -15.292 796 HG LEU 101 HG LEU 101 27.792 -3.367 -15.073 797 HD11 LEU 101 1HD1 LEU 101 30.639 -3.626 -14.023 798 HD12 LEU 101 2HD1 LEU 101 29.157 -3.613 -13.039 799 HD13 LEU 101 3HD1 LEU 101 29.619 -2.169 -13.955 800 HD21 LEU 101 1HD2 LEU 101 30.461 -3.595 -16.545 801 HD22 LEU 101 2HD2 LEU 101 29.491 -2.114 -16.374 802 HD23 LEU 101 3HD2 LEU 101 28.857 -3.473 -17.304 803 H GLU 102 H GLU 102 29.899 -7.327 -16.877 804 HA GLU 102 HA GLU 102 29.055 -9.835 -15.625 805 HB2 GLU 102 1HB GLU 102 29.449 -11.228 -17.617 806 HB3 GLU 102 2HB GLU 102 28.042 -10.212 -17.766 807 HG2 GLU 102 1HG GLU 102 30.742 -9.432 -18.963 808 HG3 GLU 102 2HG GLU 102 29.600 -10.471 -19.805 809 H ALA 103 H ALA 103 31.018 -7.933 -14.993 810 HA ALA 103 HA ALA 103 33.674 -8.864 -15.617 811 HB1 ALA 103 1HB ALA 103 34.286 -7.378 -13.731 812 HB2 ALA 103 2HB ALA 103 33.164 -6.580 -14.853 813 HB3 ALA 103 3HB ALA 103 32.565 -7.218 -13.305 814 H LEU 104 H LEU 104 35.085 -10.095 -14.370 815 HA LEU 104 HA LEU 104 34.075 -11.700 -12.085 816 HB2 LEU 104 1HB LEU 104 35.249 -12.804 -14.670 817 HB3 LEU 104 2HB LEU 104 35.103 -13.748 -13.196 818 HG LEU 104 HG LEU 104 32.729 -12.563 -14.701 819 HD11 LEU 104 1HD1 LEU 104 33.830 -15.401 -14.616 820 HD12 LEU 104 2HD1 LEU 104 33.874 -14.297 -16.008 821 HD13 LEU 104 3HD1 LEU 104 32.318 -14.889 -15.403 822 HD21 LEU 104 1HD2 LEU 104 32.899 -14.553 -12.386 823 HD22 LEU 104 2HD2 LEU 104 31.421 -14.156 -13.292 824 HD23 LEU 104 3HD2 LEU 104 32.212 -12.916 -12.318 825 H LYS 105 H LYS 105 35.721 -12.819 -10.946 826 HA LYS 105 HA LYS 105 38.550 -12.021 -11.342 827 HB2 LYS 105 1HB LYS 105 37.543 -10.275 -9.886 828 HB3 LYS 105 2HB LYS 105 37.010 -11.516 -8.756 829 HG2 LYS 105 1HG LYS 105 38.988 -10.395 -7.920 830 HG3 LYS 105 2HG LYS 105 39.353 -12.088 -8.239 831 HD2 LYS 105 1HD LYS 105 40.490 -11.435 -10.373 832 HD3 LYS 105 2HD LYS 105 40.027 -9.753 -10.091 833 HE2 LYS 105 1HE LYS 105 42.314 -9.974 -9.452 834 HE3 LYS 105 2HE LYS 105 41.370 -9.766 -7.976 835 HZ1 LYS 105 1HZ LYS 105 41.531 -12.173 -7.616 836 HZ2 LYS 105 2HZ LYS 105 43.027 -11.548 -7.776 837 HZ3 LYS 105 3HZ LYS 105 42.359 -12.376 -9.012 838 H ASP 106 H ASP 106 36.224 -14.050 -9.582 839 HA ASP 106 HA ASP 106 38.029 -16.346 -9.834 840 HB2 ASP 106 1HB ASP 106 38.551 -15.215 -7.621 841 HB3 ASP 106 2HB ASP 106 36.898 -15.557 -7.120 842 H LEU 107 H LEU 107 36.943 -18.339 -9.528 843 HA LEU 107 HA LEU 107 33.960 -18.362 -9.586 844 HB2 LEU 107 1HB LEU 107 35.829 -19.712 -11.571 845 HB3 LEU 107 2HB LEU 107 34.117 -20.086 -11.435 846 HG LEU 107 HG LEU 107 35.195 -17.330 -12.180 847 HD11 LEU 107 1HD1 LEU 107 35.714 -19.022 -13.893 848 HD12 LEU 107 2HD1 LEU 107 34.469 -17.897 -14.456 849 HD13 LEU 107 3HD1 LEU 107 34.010 -19.529 -13.921 850 HD21 LEU 107 1HD2 LEU 107 32.843 -16.959 -12.945 851 HD22 LEU 107 2HD2 LEU 107 32.945 -17.193 -11.198 852 HD23 LEU 107 3HD2 LEU 107 32.380 -18.520 -12.239 853 H ALA 108 H ALA 108 36.724 -19.545 -8.076 854 HA ALA 108 HA ALA 108 35.940 -22.291 -7.656 855 HB1 ALA 108 1HB ALA 108 38.264 -21.457 -7.513 856 HB2 ALA 108 2HB ALA 108 37.828 -20.481 -6.089 857 HB3 ALA 108 3HB ALA 108 37.763 -22.254 -6.010 858 H SER 109 H SER 109 34.751 -19.368 -6.225 859 HA SER 109 HA SER 109 34.062 -20.229 -3.613 860 HB2 SER 109 1HB SER 109 32.617 -18.212 -5.375 861 HB3 SER 109 2HB SER 109 32.507 -18.343 -3.609 862 HG SER 109 HG SER 109 34.001 -16.728 -4.248 863 H LEU 110 H LEU 110 32.189 -21.006 -2.689 864 HA LEU 110 HA LEU 110 29.961 -21.994 -4.393 865 HB2 LEU 110 1HB LEU 110 31.497 -23.610 -2.323 866 HB3 LEU 110 2HB LEU 110 29.965 -24.112 -3.024 867 HG LEU 110 HG LEU 110 32.519 -23.687 -4.642 868 HD11 LEU 110 1HD1 LEU 110 31.217 -26.254 -3.649 869 HD12 LEU 110 2HD1 LEU 110 32.740 -25.556 -3.056 870 HD13 LEU 110 3HD1 LEU 110 32.630 -26.138 -4.724 871 HD21 LEU 110 1HD2 LEU 110 31.307 -24.969 -6.385 872 HD22 LEU 110 2HD2 LEU 110 30.472 -23.459 -6.016 873 HD23 LEU 110 3HD2 LEU 110 29.852 -24.992 -5.364 874 H SER 111 H SER 111 27.999 -22.304 -3.320 875 HA SER 111 HA SER 111 27.629 -21.143 -0.606 876 HB2 SER 111 1HB SER 111 26.165 -20.181 -3.097 877 HB3 SER 111 2HB SER 111 25.816 -19.690 -1.432 878 HG SER 111 HG SER 111 27.140 -18.172 -2.540 879 H ARG 112 H ARG 112 25.579 -21.592 0.338 880 HA ARG 112 HA ARG 112 24.386 -24.172 -0.321 881 HB2 ARG 112 1HB ARG 112 23.572 -21.996 1.659 882 HB3 ARG 112 2HB ARG 112 22.791 -23.575 1.523 883 HG2 ARG 112 1HG ARG 112 24.943 -24.701 2.054 884 HG3 ARG 112 2HG ARG 112 25.718 -23.116 2.253 885 HD2 ARG 112 1HD ARG 112 24.126 -22.559 4.063 886 HD3 ARG 112 2HD ARG 112 23.345 -24.143 3.864 887 HE ARG 112 HE ARG 112 26.125 -24.565 4.303 888 HH11 ARG 112 1HH1 ARG 112 23.360 -23.465 6.152 889 HH12 ARG 112 2HH1 ARG 112 24.040 -24.003 7.664 890 HH21 ARG 112 1HH2 ARG 112 26.935 -25.228 6.265 891 HH22 ARG 112 2HH2 ARG 112 26.013 -24.975 7.718 892 H ASP 113 H ASP 113 22.232 -24.587 -0.842 893 HA ASP 113 HA ASP 113 20.528 -22.500 -2.055 894 HB2 ASP 113 1HB ASP 113 22.012 -23.128 -3.886 895 HB3 ASP 113 2HB ASP 113 21.671 -24.834 -3.633 Start of MODEL 4 1 H1 GLY 0 1H GLY 0 5.429 -19.045 -22.987 2 H2 GLY 0 2H GLY 0 6.391 -18.552 -21.754 3 H3 GLY 0 3H GLY 0 7.029 -19.399 -23.000 4 HA2 GLY 0 1HA GLY 0 6.575 -17.612 -24.542 5 HA3 GLY 0 2HA GLY 0 5.868 -16.694 -23.200 6 H MET 1 H MET 1 7.936 -15.658 -24.740 7 HA MET 1 HA MET 1 10.541 -16.029 -23.547 8 HB2 MET 1 1HB MET 1 9.398 -13.818 -25.303 9 HB3 MET 1 2HB MET 1 11.092 -13.928 -24.817 10 HG2 MET 1 1HG MET 1 11.269 -16.153 -25.901 11 HG3 MET 1 2HG MET 1 9.580 -16.044 -26.394 12 HE1 MET 1 1HE MET 1 13.243 -14.867 -26.975 13 HE2 MET 1 2HE MET 1 13.076 -13.569 -28.178 14 HE3 MET 1 3HE MET 1 12.544 -13.297 -26.507 15 HA PRO 2 HA PRO 2 10.208 -13.312 -20.009 16 HB2 PRO 2 1HB PRO 2 12.792 -12.452 -19.674 17 HB3 PRO 2 2HB PRO 2 12.266 -14.130 -19.340 18 HG2 PRO 2 1HG PRO 2 13.553 -13.052 -21.873 19 HG3 PRO 2 2HG PRO 2 14.031 -14.495 -20.920 20 HD2 PRO 2 1HD PRO 2 12.461 -14.712 -23.116 21 HD3 PRO 2 2HD PRO 2 12.158 -15.728 -21.676 22 HA PRO 3 HA PRO 3 9.698 -9.176 -21.565 23 HB2 PRO 3 1HB PRO 3 9.974 -7.586 -19.344 24 HB3 PRO 3 2HB PRO 3 8.580 -8.678 -19.607 25 HG2 PRO 3 1HG PRO 3 11.092 -9.226 -17.987 26 HG3 PRO 3 2HG PRO 3 9.384 -9.454 -17.489 27 HD2 PRO 3 1HD PRO 3 10.870 -11.517 -18.440 28 HD3 PRO 3 2HD PRO 3 9.141 -11.363 -18.869 29 HA PRO 4 HA PRO 4 13.797 -7.559 -22.383 30 HB2 PRO 4 1HB PRO 4 13.266 -5.200 -23.611 31 HB3 PRO 4 2HB PRO 4 12.753 -6.765 -24.296 32 HG2 PRO 4 1HG PRO 4 11.086 -4.873 -22.598 33 HG3 PRO 4 2HG PRO 4 10.670 -5.578 -24.195 34 HD2 PRO 4 1HD PRO 4 9.835 -6.713 -21.855 35 HD3 PRO 4 2HD PRO 4 10.296 -7.707 -23.268 36 H ALA 5 H ALA 5 13.820 -7.558 -19.873 37 HA ALA 5 HA ALA 5 14.512 -6.693 -17.929 38 HB1 ALA 5 1HB ALA 5 16.323 -5.088 -18.002 39 HB2 ALA 5 2HB ALA 5 16.465 -6.228 -19.351 40 HB3 ALA 5 3HB ALA 5 15.860 -4.579 -19.638 41 H ASP 6 H ASP 6 11.860 -5.873 -18.607 42 HA ASP 6 HA ASP 6 11.450 -3.180 -17.567 43 HB2 ASP 6 1HB ASP 6 9.501 -5.457 -18.079 44 HB3 ASP 6 2HB ASP 6 9.029 -3.826 -17.616 45 H ILE 7 H ILE 7 12.719 -5.472 -15.870 46 HA ILE 7 HA ILE 7 11.266 -4.842 -13.351 47 HB ILE 7 HB ILE 7 12.242 -7.626 -14.053 48 HG12 ILE 7 1HG1 ILE 7 9.393 -6.546 -13.981 49 HG13 ILE 7 2HG1 ILE 7 10.257 -7.120 -15.405 50 HG21 ILE 7 1HG2 ILE 7 10.652 -6.606 -11.655 51 HG22 ILE 7 2HG2 ILE 7 11.142 -8.290 -11.942 52 HG23 ILE 7 3HG2 ILE 7 12.368 -7.082 -11.638 53 HD11 ILE 7 1HD1 ILE 7 8.734 -8.825 -14.783 54 HD12 ILE 7 2HD1 ILE 7 10.362 -9.408 -14.385 55 HD13 ILE 7 3HD1 ILE 7 9.273 -8.822 -13.099 56 H VAL 8 H VAL 8 12.553 -4.319 -11.697 57 HA VAL 8 HA VAL 8 15.499 -4.808 -11.848 58 HB VAL 8 HB VAL 8 15.821 -2.498 -10.963 59 HG11 VAL 8 1HG1 VAL 8 14.625 -2.635 -13.756 60 HG12 VAL 8 2HG1 VAL 8 15.763 -1.419 -13.150 61 HG13 VAL 8 3HG1 VAL 8 16.281 -3.106 -13.320 62 HG21 VAL 8 1HG2 VAL 8 12.963 -1.997 -11.881 63 HG22 VAL 8 2HG2 VAL 8 13.597 -1.861 -10.223 64 HG23 VAL 8 3HG2 VAL 8 14.156 -0.752 -11.478 65 H LYS 9 H LYS 9 16.437 -5.473 -10.019 66 HA LYS 9 HA LYS 9 14.836 -5.853 -7.597 67 HB2 LYS 9 1HB LYS 9 16.540 -7.474 -8.541 68 HB3 LYS 9 2HB LYS 9 17.806 -6.371 -7.982 69 HG2 LYS 9 1HG LYS 9 17.058 -6.646 -5.653 70 HG3 LYS 9 2HG LYS 9 15.648 -7.580 -6.192 71 HD2 LYS 9 1HD LYS 9 17.191 -9.309 -7.140 72 HD3 LYS 9 2HD LYS 9 18.569 -8.409 -6.465 73 HE2 LYS 9 1HE LYS 9 17.619 -8.671 -4.189 74 HE3 LYS 9 2HE LYS 9 16.213 -9.509 -4.862 75 HZ1 LYS 9 1HZ LYS 9 19.012 -10.502 -5.025 76 HZ2 LYS 9 2HZ LYS 9 17.705 -11.264 -5.644 77 HZ3 LYS 9 3HZ LYS 9 17.858 -11.093 -4.032 78 H VAL 10 H VAL 10 15.086 -4.868 -5.631 79 HA VAL 10 HA VAL 10 16.884 -2.519 -5.344 80 HB VAL 10 HB VAL 10 15.050 -1.141 -4.492 81 HG11 VAL 10 1HG1 VAL 10 14.096 -0.486 -6.589 82 HG12 VAL 10 2HG1 VAL 10 15.754 -1.021 -6.899 83 HG13 VAL 10 3HG1 VAL 10 14.389 -2.079 -7.312 84 HG21 VAL 10 1HG2 VAL 10 13.135 -3.280 -5.515 85 HG22 VAL 10 2HG2 VAL 10 13.435 -2.903 -3.807 86 HG23 VAL 10 3HG2 VAL 10 12.700 -1.693 -4.860 87 H ALA 11 H ALA 11 17.190 -1.811 -3.192 88 HA ALA 11 HA ALA 11 16.460 -3.796 -1.055 89 HB1 ALA 11 1HB ALA 11 18.868 -3.861 -1.646 90 HB2 ALA 11 2HB ALA 11 18.997 -2.128 -1.297 91 HB3 ALA 11 3HB ALA 11 18.596 -3.270 0.005 92 H ILE 12 H ILE 12 14.912 -2.923 0.214 93 HA ILE 12 HA ILE 12 14.676 0.029 0.360 94 HB ILE 12 HB ILE 12 12.666 -2.098 1.095 95 HG12 ILE 12 1HG1 ILE 12 12.566 -0.384 -1.419 96 HG13 ILE 12 2HG1 ILE 12 13.390 -1.943 -1.436 97 HG21 ILE 12 1HG2 ILE 12 12.328 0.910 0.626 98 HG22 ILE 12 2HG2 ILE 12 11.030 -0.227 1.030 99 HG23 ILE 12 3HG2 ILE 12 12.274 0.115 2.211 100 HD11 ILE 12 1HD1 ILE 12 11.117 -2.176 -2.218 101 HD12 ILE 12 2HD1 ILE 12 11.376 -3.100 -0.717 102 HD13 ILE 12 3HD1 ILE 12 10.500 -1.549 -0.679 103 H GLU 13 H GLU 13 15.155 1.126 2.075 104 HA GLU 13 HA GLU 13 15.880 -0.054 4.652 105 HB2 GLU 13 1HB GLU 13 15.694 2.812 3.657 106 HB3 GLU 13 2HB GLU 13 16.278 2.354 5.260 107 HG2 GLU 13 1HG GLU 13 18.128 1.098 4.266 108 HG3 GLU 13 2HG GLU 13 17.576 1.501 2.641 109 H TRP 14 H TRP 14 14.901 0.197 6.614 110 HA TRP 14 HA TRP 14 12.703 2.034 7.041 111 HB2 TRP 14 1HB TRP 14 11.448 0.123 6.238 112 HB3 TRP 14 2HB TRP 14 12.259 -0.949 7.380 113 HD1 TRP 14 HD TRP 14 11.171 -1.208 9.685 114 HE1 TRP 14 1HE TRP 14 9.246 -0.111 10.978 115 HE3 TRP 14 3HE TRP 14 10.178 2.651 6.493 116 HZ2 TRP 14 2HZ TRP 14 7.530 2.202 10.688 117 HZ3 TRP 14 3HZ TRP 14 8.449 4.339 7.057 118 HH2 TRP 14 HH TRP 14 7.110 4.120 9.142 119 HA PRO 15 HA PRO 15 15.093 2.269 10.746 120 HB2 PRO 15 1HB PRO 15 12.569 3.098 12.174 121 HB3 PRO 15 2HB PRO 15 14.186 3.872 12.188 122 HG2 PRO 15 1HG PRO 15 12.221 4.915 10.657 123 HG3 PRO 15 2HG PRO 15 13.866 4.724 9.958 124 HD2 PRO 15 1HD PRO 15 11.485 2.869 9.692 125 HD3 PRO 15 2HD PRO 15 12.521 3.534 8.398 126 H GLY 16 H GLY 16 15.770 0.962 12.384 127 HA2 GLY 16 1HA GLY 16 15.832 -0.728 13.942 128 HA3 GLY 16 2HA GLY 16 14.073 -0.664 14.048 129 H ALA 17 H ALA 17 15.212 -1.278 10.838 130 HA ALA 17 HA ALA 17 15.021 -4.238 11.132 131 HB1 ALA 17 1HB ALA 17 13.460 -2.550 9.128 132 HB2 ALA 17 2HB ALA 17 13.460 -4.320 9.252 133 HB3 ALA 17 3HB ALA 17 12.772 -3.345 10.565 134 H TYR 18 H TYR 18 15.954 -5.462 9.501 135 HA TYR 18 HA TYR 18 18.240 -4.364 8.123 136 HB2 TYR 18 1HB TYR 18 16.843 -7.025 7.737 137 HB3 TYR 18 2HB TYR 18 18.478 -6.623 7.218 138 HD1 TYR 18 1HD TYR 18 20.089 -5.760 9.200 139 HD2 TYR 18 2HD TYR 18 16.573 -8.208 9.741 140 HE1 TYR 18 1HE TYR 18 20.965 -6.540 11.400 141 HE2 TYR 18 2HE TYR 18 17.457 -8.984 11.937 142 HH TYR 18 HH TYR 18 20.643 -7.921 13.172 143 HA PRO 19 HA PRO 19 16.284 -2.955 4.439 144 HB2 PRO 19 1HB PRO 19 18.531 -4.189 2.849 145 HB3 PRO 19 2HB PRO 19 17.861 -2.528 2.763 146 HG2 PRO 19 1HG PRO 19 20.179 -2.992 4.087 147 HG3 PRO 19 2HG PRO 19 18.940 -1.913 4.811 148 HD2 PRO 19 1HD PRO 19 19.461 -4.841 5.418 149 HD3 PRO 19 2HD PRO 19 19.236 -3.471 6.548 150 H LYS 20 H LYS 20 14.614 -3.680 3.254 151 HA LYS 20 HA LYS 20 14.176 -6.572 2.817 152 HB2 LYS 20 1HB LYS 20 12.331 -5.306 3.645 153 HB3 LYS 20 2HB LYS 20 12.467 -4.101 2.354 154 HG2 LYS 20 1HG LYS 20 11.736 -5.692 0.688 155 HG3 LYS 20 2HG LYS 20 11.826 -7.034 1.851 156 HD2 LYS 20 1HD LYS 20 9.984 -6.077 3.155 157 HD3 LYS 20 2HD LYS 20 9.984 -4.624 2.158 158 HE2 LYS 20 1HE LYS 20 8.127 -6.043 1.519 159 HE3 LYS 20 2HE LYS 20 9.275 -5.903 0.186 160 HZ1 LYS 20 1HZ LYS 20 10.103 -8.121 0.736 161 HZ2 LYS 20 2HZ LYS 20 8.487 -8.189 0.526 162 HZ3 LYS 20 3HZ LYS 20 9.110 -8.235 2.032 163 H LEU 21 H LEU 21 15.176 -7.493 1.169 164 HA LEU 21 HA LEU 21 15.649 -6.143 -1.400 165 HB2 LEU 21 1HB LEU 21 16.034 -8.997 -0.427 166 HB3 LEU 21 2HB LEU 21 16.375 -8.493 -2.079 167 HG LEU 21 HG LEU 21 17.712 -7.179 0.327 168 HD11 LEU 21 1HD1 LEU 21 19.658 -8.610 -0.147 169 HD12 LEU 21 2HD1 LEU 21 18.728 -9.487 -1.383 170 HD13 LEU 21 3HD1 LEU 21 18.254 -9.579 0.328 171 HD21 LEU 21 1HD2 LEU 21 18.521 -7.329 -2.616 172 HD22 LEU 21 2HD2 LEU 21 19.377 -6.468 -1.320 173 HD23 LEU 21 3HD2 LEU 21 17.777 -5.921 -1.840 174 H MET 22 H MET 22 14.214 -6.020 -3.015 175 HA MET 22 HA MET 22 12.392 -8.216 -3.604 176 HB2 MET 22 1HB MET 22 10.333 -7.149 -3.367 177 HB3 MET 22 2HB MET 22 11.158 -6.799 -1.854 178 HG2 MET 22 1HG MET 22 11.689 -4.551 -2.593 179 HG3 MET 22 2HG MET 22 10.947 -4.837 -4.169 180 HE1 MET 22 1HE MET 22 8.512 -4.767 -4.735 181 HE2 MET 22 2HE MET 22 8.225 -6.274 -3.833 182 HE3 MET 22 3HE MET 22 7.171 -4.870 -3.568 183 H GLU 23 H GLU 23 10.911 -7.455 -5.604 184 HA GLU 23 HA GLU 23 12.675 -5.934 -7.477 185 HB2 GLU 23 1HB GLU 23 10.749 -8.194 -8.116 186 HB3 GLU 23 2HB GLU 23 11.657 -7.222 -9.260 187 HG2 GLU 23 1HG GLU 23 12.933 -9.147 -9.099 188 HG3 GLU 23 2HG GLU 23 13.799 -7.979 -8.116 189 H ILE 24 H ILE 24 11.941 -4.305 -8.579 190 HA ILE 24 HA ILE 24 9.076 -3.471 -8.392 191 HB ILE 24 HB ILE 24 11.619 -1.941 -9.023 192 HG12 ILE 24 1HG1 ILE 24 9.459 -1.712 -6.882 193 HG13 ILE 24 2HG1 ILE 24 11.104 -2.287 -6.653 194 HG21 ILE 24 1HG2 ILE 24 8.764 -0.898 -9.297 195 HG22 ILE 24 2HG2 ILE 24 10.254 0.044 -9.490 196 HG23 ILE 24 3HG2 ILE 24 9.878 -1.209 -10.649 197 HD11 ILE 24 1HD1 ILE 24 11.005 -0.069 -5.794 198 HD12 ILE 24 2HD1 ILE 24 11.925 0.015 -7.311 199 HD13 ILE 24 3HD1 ILE 24 10.231 0.561 -7.253 200 H ASP 25 H ASP 25 7.953 -4.401 -9.930 201 HA ASP 25 HA ASP 25 9.000 -4.776 -12.681 202 HB2 ASP 25 1HB ASP 25 7.627 -6.541 -11.688 203 HB3 ASP 25 2HB ASP 25 6.329 -5.393 -11.375 204 H GLN 26 H GLN 26 8.949 -3.097 -14.050 205 HA GLN 26 HA GLN 26 7.702 -0.605 -13.335 206 HB2 GLN 26 1HB GLN 26 8.994 -1.441 -15.931 207 HB3 GLN 26 2HB GLN 26 8.575 0.209 -15.483 208 HG2 GLN 26 1HG GLN 26 10.588 -1.506 -13.938 209 HG3 GLN 26 2HG GLN 26 10.994 -0.392 -15.227 210 HE21 GLN 26 1HE2 GLN 26 12.379 0.787 -13.734 211 HE22 GLN 26 2HE2 GLN 26 11.637 1.928 -12.621 212 H LYS 27 H LYS 27 6.335 -3.351 -14.842 213 HA LYS 27 HA LYS 27 4.127 -1.821 -16.117 214 HB2 LYS 27 1HB LYS 27 4.440 -4.823 -15.723 215 HB3 LYS 27 2HB LYS 27 3.264 -4.018 -16.742 216 HG2 LYS 27 1HG LYS 27 6.281 -4.130 -17.165 217 HG3 LYS 27 2HG LYS 27 5.048 -4.966 -18.093 218 HD2 LYS 27 1HD LYS 27 5.492 -1.948 -18.025 219 HD3 LYS 27 2HD LYS 27 5.959 -3.056 -19.318 220 HE2 LYS 27 1HE LYS 27 3.564 -3.662 -19.664 221 HE3 LYS 27 2HE LYS 27 3.097 -2.507 -18.409 222 HZ1 LYS 27 1HZ LYS 27 4.060 -0.732 -19.780 223 HZ2 LYS 27 2HZ LYS 27 2.911 -1.528 -20.621 224 HZ3 LYS 27 3HZ LYS 27 4.487 -1.802 -20.940 225 H LYS 28 H LYS 28 4.798 -3.202 -12.982 226 HA LYS 28 HA LYS 28 1.941 -3.348 -12.199 227 HB2 LYS 28 1HB LYS 28 4.546 -3.894 -10.729 228 HB3 LYS 28 2HB LYS 28 3.001 -3.750 -9.880 229 HG2 LYS 28 1HG LYS 28 2.032 -5.555 -11.246 230 HG3 LYS 28 2HG LYS 28 3.555 -5.710 -12.137 231 HD2 LYS 28 1HD LYS 28 3.508 -7.462 -10.515 232 HD3 LYS 28 2HD LYS 28 4.708 -6.282 -9.963 233 HE2 LYS 28 1HE LYS 28 3.064 -5.337 -8.367 234 HE3 LYS 28 2HE LYS 28 1.830 -6.459 -8.959 235 HZ1 LYS 28 1HZ LYS 28 4.351 -7.250 -7.595 236 HZ2 LYS 28 2HZ LYS 28 3.222 -8.298 -8.159 237 HZ3 LYS 28 3HZ LYS 28 2.880 -7.278 -6.924 238 HA PRO 29 HA PRO 29 1.817 0.905 -10.804 239 HB2 PRO 29 1HB PRO 29 -0.250 0.805 -9.002 240 HB3 PRO 29 2HB PRO 29 -0.500 0.674 -10.762 241 HG2 PRO 29 1HG PRO 29 -0.347 -1.559 -8.746 242 HG3 PRO 29 2HG PRO 29 -1.534 -1.344 -10.065 243 HD2 PRO 29 1HD PRO 29 0.637 -2.984 -10.270 244 HD3 PRO 29 2HD PRO 29 -0.013 -2.095 -11.674 245 H LEU 30 H LEU 30 2.661 2.151 -9.198 246 HA LEU 30 HA LEU 30 4.340 0.942 -7.221 247 HB2 LEU 30 1HB LEU 30 3.252 3.756 -7.570 248 HB3 LEU 30 2HB LEU 30 4.407 3.341 -6.304 249 HG LEU 30 HG LEU 30 4.992 2.802 -9.241 250 HD11 LEU 30 1HD1 LEU 30 5.621 5.268 -7.587 251 HD12 LEU 30 2HD1 LEU 30 4.542 5.156 -9.001 252 HD13 LEU 30 3HD1 LEU 30 6.286 4.902 -9.195 253 HD21 LEU 30 1HD2 LEU 30 6.438 1.592 -7.632 254 HD22 LEU 30 2HD2 LEU 30 6.814 3.128 -6.817 255 HD23 LEU 30 3HD2 LEU 30 7.339 2.844 -8.491 256 H SER 31 H SER 31 0.956 2.102 -6.966 257 HA SER 31 HA SER 31 0.674 1.975 -4.164 258 HB2 SER 31 1HB SER 31 -1.398 1.163 -6.239 259 HB3 SER 31 2HB SER 31 -1.714 1.710 -4.584 260 HG SER 31 HG SER 31 -0.965 3.752 -5.132 261 H ALA 32 H ALA 32 0.380 -0.709 -6.550 262 HA ALA 32 HA ALA 32 -0.266 -2.724 -4.554 263 HB1 ALA 32 1HB ALA 32 -0.873 -2.954 -6.943 264 HB2 ALA 32 2HB ALA 32 0.850 -2.985 -7.389 265 HB3 ALA 32 3HB ALA 32 0.158 -4.294 -6.410 266 H ILE 33 H ILE 33 2.762 -1.611 -6.101 267 HA ILE 33 HA ILE 33 4.497 -3.549 -4.884 268 HB ILE 33 HB ILE 33 5.014 -0.769 -5.981 269 HG12 ILE 33 1HG1 ILE 33 5.618 -3.530 -7.139 270 HG13 ILE 33 2HG1 ILE 33 4.184 -2.607 -7.549 271 HG21 ILE 33 1HG2 ILE 33 7.086 -2.873 -5.224 272 HG22 ILE 33 2HG2 ILE 33 7.402 -1.299 -5.990 273 HG23 ILE 33 3HG2 ILE 33 6.806 -1.355 -4.346 274 HD11 ILE 33 1HD1 ILE 33 5.794 -2.331 -9.300 275 HD12 ILE 33 2HD1 ILE 33 5.614 -0.779 -8.457 276 HD13 ILE 33 3HD1 ILE 33 7.040 -1.808 -8.160 277 H ILE 34 H ILE 34 3.591 -0.231 -3.785 278 HA ILE 34 HA ILE 34 5.118 -0.230 -1.385 279 HB ILE 34 HB ILE 34 2.595 1.227 -2.213 280 HG12 ILE 34 1HG1 ILE 34 5.366 2.416 -1.775 281 HG13 ILE 34 2HG1 ILE 34 4.993 1.614 -3.290 282 HG21 ILE 34 1HG2 ILE 34 2.568 1.193 0.241 283 HG22 ILE 34 2HG2 ILE 34 4.273 1.688 0.298 284 HG23 ILE 34 3HG2 ILE 34 3.021 2.792 -0.309 285 HD11 ILE 34 1HD1 ILE 34 4.633 4.020 -3.495 286 HD12 ILE 34 2HD1 ILE 34 3.103 3.150 -3.702 287 HD13 ILE 34 3HD1 ILE 34 3.436 3.984 -2.184 288 H LYS 35 H LYS 35 1.800 -1.476 -1.981 289 HA LYS 35 HA LYS 35 1.281 -2.303 0.717 290 HB2 LYS 35 1HB LYS 35 -0.383 -2.108 -1.168 291 HB3 LYS 35 2HB LYS 35 0.256 -3.607 -1.836 292 HG2 LYS 35 1HG LYS 35 -0.324 -4.788 0.290 293 HG3 LYS 35 2HG LYS 35 -0.967 -3.267 0.938 294 HD2 LYS 35 1HD LYS 35 -2.617 -3.212 -0.959 295 HD3 LYS 35 2HD LYS 35 -1.987 -4.778 -1.514 296 HE2 LYS 35 1HE LYS 35 -2.570 -5.771 0.705 297 HE3 LYS 35 2HE LYS 35 -3.228 -4.214 1.220 298 HZ1 LYS 35 1HZ LYS 35 -4.977 -5.688 0.404 299 HZ2 LYS 35 2HZ LYS 35 -4.258 -5.834 -1.053 300 HZ3 LYS 35 3HZ LYS 35 -4.870 -4.392 -0.581 301 H GLU 36 H GLU 36 3.000 -3.979 -1.951 302 HA GLU 36 HA GLU 36 3.543 -6.374 -0.427 303 HB2 GLU 36 1HB GLU 36 4.582 -5.155 -3.003 304 HB3 GLU 36 2HB GLU 36 5.240 -6.632 -2.334 305 HG2 GLU 36 1HG GLU 36 3.136 -7.780 -2.507 306 HG3 GLU 36 2HG GLU 36 2.263 -6.284 -2.832 307 H VAL 37 H VAL 37 5.183 -3.211 -0.617 308 HA VAL 37 HA VAL 37 7.560 -4.094 0.793 309 HB VAL 37 HB VAL 37 6.424 -1.279 0.914 310 HG11 VAL 37 1HG1 VAL 37 8.186 -1.897 2.588 311 HG12 VAL 37 2HG1 VAL 37 9.250 -2.377 1.264 312 HG13 VAL 37 3HG1 VAL 37 8.738 -0.684 1.426 313 HG21 VAL 37 1HG2 VAL 37 8.031 -0.684 -0.848 314 HG22 VAL 37 2HG2 VAL 37 8.411 -2.405 -1.084 315 HG23 VAL 37 3HG2 VAL 37 6.807 -1.777 -1.455 316 H CYS 38 H CYS 38 4.604 -2.357 1.944 317 HA CYS 38 HA CYS 38 5.471 -2.238 4.632 318 HB2 CYS 38 1HB CYS 38 3.310 -1.292 5.075 319 HB3 CYS 38 2HB CYS 38 3.802 -0.769 3.478 320 HG CYS 38 HG CYS 38 1.587 -2.951 4.538 321 H ASP 39 H ASP 39 3.491 -4.736 3.039 322 HA ASP 39 HA ASP 39 2.765 -6.250 5.318 323 HB2 ASP 39 1HB ASP 39 1.899 -6.511 2.996 324 HB3 ASP 39 2HB ASP 39 3.452 -7.192 2.502 325 H GLY 40 H GLY 40 5.905 -6.006 3.715 326 HA2 GLY 40 1HA GLY 40 7.151 -8.385 4.775 327 HA3 GLY 40 2HA GLY 40 7.954 -6.932 4.160 328 H TRP 41 H TRP 41 6.481 -5.223 6.173 329 HA TRP 41 HA TRP 41 7.869 -5.999 8.704 330 HB2 TRP 41 1HB TRP 41 7.406 -3.264 7.485 331 HB3 TRP 41 2HB TRP 41 8.069 -3.546 9.088 332 HD1 TRP 41 HD TRP 41 10.297 -5.523 8.781 333 HE1 TRP 41 1HE TRP 41 12.386 -5.114 7.343 334 HE3 TRP 41 3HE TRP 41 8.424 -1.961 5.609 335 HZ2 TRP 41 2HZ TRP 41 13.173 -3.404 5.175 336 HZ3 TRP 41 3HZ TRP 41 9.895 -0.942 3.877 337 HH2 TRP 41 HH TRP 41 12.240 -1.652 3.650 338 H SER 42 H SER 42 4.950 -6.288 7.562 339 HA SER 42 HA SER 42 2.810 -6.176 8.250 340 HB2 SER 42 1HB SER 42 3.977 -6.243 11.052 341 HB3 SER 42 2HB SER 42 2.312 -6.636 10.593 342 HG SER 42 HG SER 42 4.689 -8.002 9.818 343 H LEU 43 H LEU 43 3.951 -3.598 7.654 344 HA LEU 43 HA LEU 43 2.899 -1.663 9.602 345 HB2 LEU 43 1HB LEU 43 4.227 -1.477 6.896 346 HB3 LEU 43 2HB LEU 43 3.637 -0.042 7.726 347 HG LEU 43 HG LEU 43 5.672 -1.996 8.912 348 HD11 LEU 43 1HD1 LEU 43 6.498 -0.987 6.806 349 HD12 LEU 43 2HD1 LEU 43 7.403 -0.454 8.222 350 HD13 LEU 43 3HD1 LEU 43 6.205 0.633 7.481 351 HD21 LEU 43 1HD2 LEU 43 6.252 -0.101 10.381 352 HD22 LEU 43 2HD2 LEU 43 4.563 -0.567 10.598 353 HD23 LEU 43 3HD2 LEU 43 4.966 0.881 9.645 354 H ALA 44 H ALA 44 0.928 -0.833 9.625 355 HA ALA 44 HA ALA 44 -1.113 -1.850 7.843 356 HB1 ALA 44 1HB ALA 44 -2.630 -0.669 9.382 357 HB2 ALA 44 2HB ALA 44 -1.431 -1.615 10.280 358 HB3 ALA 44 3HB ALA 44 -1.249 0.151 10.140 359 H ASN 45 H ASN 45 -2.729 -0.563 6.838 360 HA ASN 45 HA ASN 45 -3.476 0.894 5.257 361 HB2 ASN 45 1HB ASN 45 -2.516 2.821 7.392 362 HB3 ASN 45 2HB ASN 45 -3.665 3.203 6.114 363 HD21 ASN 45 1HD2 ASN 45 -4.682 3.721 8.486 364 HD22 ASN 45 2HD2 ASN 45 -5.751 2.435 9.026 365 H HIS 46 H HIS 46 -1.790 0.121 3.741 366 HA HIS 46 HA HIS 46 0.628 1.492 3.241 367 HB2 HIS 46 1HB HIS 46 0.722 0.181 1.262 368 HB3 HIS 46 2HB HIS 46 -0.102 -0.804 2.466 369 HD2 HIS 46 2HD HIS 46 -0.664 1.010 -0.824 370 HE1 HIS 46 1HE HIS 46 -4.301 -1.059 -0.010 371 HE2 HIS 46 2HE HIS 46 -3.050 0.319 -1.740 372 H GLU 47 H GLU 47 -2.606 2.447 2.413 373 HA GLU 47 HA GLU 47 -2.247 4.254 0.265 374 HB2 GLU 47 1HB GLU 47 -3.967 4.569 2.766 375 HB3 GLU 47 2HB GLU 47 -4.194 5.445 1.261 376 HG2 GLU 47 1HG GLU 47 -4.541 2.445 1.675 377 HG3 GLU 47 2HG GLU 47 -5.823 3.641 1.564 378 H TYR 48 H TYR 48 -1.245 4.577 3.657 379 HA TYR 48 HA TYR 48 -0.752 7.447 3.522 380 HB2 TYR 48 1HB TYR 48 0.330 5.378 5.462 381 HB3 TYR 48 2HB TYR 48 0.322 7.112 5.696 382 HD1 TYR 48 1HD TYR 48 -2.911 6.716 4.453 383 HD2 TYR 48 2HD TYR 48 -0.465 5.633 7.848 384 HE1 TYR 48 1HE TYR 48 -4.944 6.406 5.817 385 HE2 TYR 48 2HE TYR 48 -2.500 5.415 9.240 386 HH TYR 48 HH TYR 48 -5.778 6.090 7.955 387 H PHE 49 H PHE 49 1.009 4.702 2.392 388 HA PHE 49 HA PHE 49 3.659 5.908 2.935 389 HB2 PHE 49 1HB PHE 49 2.713 3.101 2.355 390 HB3 PHE 49 2HB PHE 49 4.400 3.558 2.209 391 HD1 PHE 49 1HD PHE 49 5.804 3.963 4.103 392 HD2 PHE 49 2HD PHE 49 1.575 3.315 4.641 393 HE1 PHE 49 1HE PHE 49 6.131 3.788 6.558 394 HE2 PHE 49 2HE PHE 49 1.910 3.123 7.088 395 HZ PHE 49 HZ PHE 49 4.194 3.355 8.054 396 H ALA 50 H ALA 50 5.332 5.850 1.514 397 HA ALA 50 HA ALA 50 4.910 5.385 -1.347 398 HB1 ALA 50 1HB ALA 50 5.905 7.602 -1.923 399 HB2 ALA 50 2HB ALA 50 4.321 7.753 -1.136 400 HB3 ALA 50 3HB ALA 50 5.803 8.065 -0.206 401 H LEU 51 H LEU 51 6.846 4.962 -2.442 402 HA LEU 51 HA LEU 51 9.193 4.256 -0.787 403 HB2 LEU 51 1HB LEU 51 8.395 3.926 -3.688 404 HB3 LEU 51 2HB LEU 51 10.092 3.793 -3.237 405 HG LEU 51 HG LEU 51 7.918 2.121 -1.907 406 HD11 LEU 51 1HD1 LEU 51 8.657 0.285 -3.384 407 HD12 LEU 51 2HD1 LEU 51 9.726 1.409 -4.252 408 HD13 LEU 51 3HD1 LEU 51 7.962 1.623 -4.314 409 HD21 LEU 51 1HD2 LEU 51 10.959 1.842 -2.060 410 HD22 LEU 51 2HD2 LEU 51 9.861 0.661 -1.334 411 HD23 LEU 51 3HD2 LEU 51 10.018 2.260 -0.610 412 H GLN 52 H GLN 52 11.211 5.192 -1.062 413 HA GLN 52 HA GLN 52 11.546 7.746 -2.521 414 HB2 GLN 52 1HB GLN 52 10.582 8.285 -0.299 415 HB3 GLN 52 2HB GLN 52 11.867 7.375 0.495 416 HG2 GLN 52 1HG GLN 52 13.537 9.006 -0.282 417 HG3 GLN 52 2HG GLN 52 12.297 9.864 -1.201 418 HE21 GLN 52 1HE2 GLN 52 10.496 10.939 0.076 419 HE22 GLN 52 2HE2 GLN 52 10.870 11.399 1.722 420 H HIS 53 H HIS 53 13.837 8.291 -2.759 421 HA HIS 53 HA HIS 53 15.624 5.987 -2.922 422 HB2 HIS 53 1HB HIS 53 15.904 8.952 -3.300 423 HB3 HIS 53 2HB HIS 53 17.350 7.941 -3.211 424 HD2 HIS 53 2HD HIS 53 14.444 8.752 -5.558 425 HE1 HIS 53 1HE HIS 53 16.815 5.838 -7.570 426 HE2 HIS 53 2HE HIS 53 14.884 7.482 -7.822 427 H ALA 54 H ALA 54 17.475 5.490 -1.688 428 HA ALA 54 HA ALA 54 17.226 5.930 1.146 429 HB1 ALA 54 1HB ALA 54 19.287 4.572 1.233 430 HB2 ALA 54 2HB ALA 54 18.037 3.872 0.192 431 HB3 ALA 54 3HB ALA 54 19.443 4.704 -0.531 432 H ASP 55 H ASP 55 18.669 7.918 -1.218 433 HA ASP 55 HA ASP 55 20.805 9.153 0.211 434 HB2 ASP 55 1HB ASP 55 20.241 9.243 -2.265 435 HB3 ASP 55 2HB ASP 55 18.944 10.370 -1.875 436 H SER 56 H SER 56 20.732 11.531 0.891 437 HA SER 56 HA SER 56 18.961 11.881 3.119 438 HB2 SER 56 1HB SER 56 20.744 13.911 1.716 439 HB3 SER 56 2HB SER 56 20.016 14.097 3.323 440 HG SER 56 HG SER 56 22.177 13.330 3.432 441 H SER 57 H SER 57 18.819 13.194 -0.198 442 HA SER 57 HA SER 57 16.774 15.157 0.421 443 HB2 SER 57 1HB SER 57 18.477 15.356 -1.414 444 HB3 SER 57 2HB SER 57 17.556 14.145 -2.323 445 HG SER 57 HG SER 57 15.944 15.560 -2.587 446 H ASN 58 H ASN 58 14.602 15.216 -0.229 447 HA ASN 58 HA ASN 58 13.307 12.674 0.273 448 HB2 ASN 58 1HB ASN 58 11.386 13.909 0.805 449 HB3 ASN 58 2HB ASN 58 12.748 14.780 1.486 450 HD21 ASN 58 1HD2 ASN 58 9.921 15.534 0.553 451 HD22 ASN 58 2HD2 ASN 58 10.169 16.926 -0.478 452 H PHE 59 H PHE 59 14.335 12.200 -2.134 453 HA PHE 59 HA PHE 59 12.540 12.766 -4.347 454 HB2 PHE 59 1HB PHE 59 14.620 10.588 -4.071 455 HB3 PHE 59 2HB PHE 59 13.898 11.158 -5.570 456 HD1 PHE 59 1HD PHE 59 14.130 14.158 -5.190 457 HD2 PHE 59 2HD PHE 59 16.872 10.914 -4.460 458 HE1 PHE 59 1HE PHE 59 16.041 15.698 -5.540 459 HE2 PHE 59 2HE PHE 59 18.794 12.468 -4.781 460 HZ PHE 59 HZ PHE 59 18.380 14.858 -5.324 461 H TYR 60 H TYR 60 10.540 12.158 -3.130 462 HA TYR 60 HA TYR 60 9.762 9.438 -2.715 463 HB2 TYR 60 1HB TYR 60 8.178 11.920 -3.462 464 HB3 TYR 60 2HB TYR 60 7.435 10.361 -3.156 465 HD1 TYR 60 1HD TYR 60 7.703 9.237 -0.920 466 HD2 TYR 60 2HD TYR 60 8.766 13.363 -1.589 467 HE1 TYR 60 1HE TYR 60 7.386 9.716 1.505 468 HE2 TYR 60 2HE TYR 60 8.501 13.815 0.853 469 HH TYR 60 HH TYR 60 7.320 11.318 3.120 470 H ILE 61 H ILE 61 9.051 7.867 -4.033 471 HA ILE 61 HA ILE 61 9.642 8.125 -6.872 472 HB ILE 61 HB ILE 61 8.682 5.730 -5.305 473 HG12 ILE 61 1HG1 ILE 61 10.813 6.342 -4.408 474 HG13 ILE 61 2HG1 ILE 61 11.051 4.962 -5.449 475 HG21 ILE 61 1HG2 ILE 61 9.539 4.410 -7.220 476 HG22 ILE 61 2HG2 ILE 61 8.195 5.447 -7.675 477 HG23 ILE 61 3HG2 ILE 61 9.848 5.920 -8.113 478 HD11 ILE 61 1HD1 ILE 61 11.799 7.862 -6.062 479 HD12 ILE 61 2HD1 ILE 61 12.883 6.519 -5.704 480 HD13 ILE 61 3HD1 ILE 61 11.963 6.520 -7.221 481 H THR 62 H THR 62 8.287 8.238 -8.533 482 HA THR 62 HA THR 62 5.325 8.172 -8.116 483 HB THR 62 HB THR 62 5.031 10.124 -9.436 484 HG1 THR 62 1HG THR 62 6.853 11.284 -10.221 485 HG21 THR 62 1HG2 THR 62 6.027 11.899 -8.150 486 HG22 THR 62 2HG2 THR 62 7.317 10.834 -7.558 487 HG23 THR 62 3HG2 THR 62 5.635 10.568 -7.046 488 H GLU 63 H GLU 63 4.098 7.947 -10.163 489 HA GLU 63 HA GLU 63 5.090 5.830 -11.791 490 HB2 GLU 63 1HB GLU 63 2.764 7.736 -12.180 491 HB3 GLU 63 2HB GLU 63 3.055 6.337 -13.207 492 HG2 GLU 63 1HG GLU 63 2.543 6.231 -10.201 493 HG3 GLU 63 2HG GLU 63 1.351 5.921 -11.450 494 H LYS 64 H LYS 64 5.737 9.184 -12.058 495 HA LYS 64 HA LYS 64 6.686 9.008 -14.865 496 HB2 LYS 64 1HB LYS 64 5.536 11.037 -14.009 497 HB3 LYS 64 2HB LYS 64 6.849 11.292 -12.852 498 HG2 LYS 64 1HG LYS 64 8.464 11.495 -14.739 499 HG3 LYS 64 2HG LYS 64 7.151 11.244 -15.895 500 HD2 LYS 64 1HD LYS 64 7.346 13.556 -13.909 501 HD3 LYS 64 2HD LYS 64 7.809 13.629 -15.614 502 HE2 LYS 64 1HE LYS 64 5.470 13.057 -16.271 503 HE3 LYS 64 2HE LYS 64 5.001 13.051 -14.566 504 HZ1 LYS 64 1HZ LYS 64 6.070 15.408 -16.025 505 HZ2 LYS 64 2HZ LYS 64 5.642 15.401 -14.448 506 HZ3 LYS 64 3HZ LYS 64 4.511 15.186 -15.603 507 H ASN 65 H ASN 65 8.143 9.489 -11.588 508 HA ASN 65 HA ASN 65 10.793 9.488 -12.857 509 HB2 ASN 65 1HB ASN 65 11.656 10.408 -10.894 510 HB3 ASN 65 2HB ASN 65 10.114 11.198 -11.186 511 HD21 ASN 65 1HD2 ASN 65 10.240 11.856 -8.902 512 HD22 ASN 65 2HD2 ASN 65 9.809 10.689 -7.655 513 H ARG 66 H ARG 66 8.914 7.036 -11.343 514 HA ARG 66 HA ARG 66 10.827 5.270 -10.326 515 HB2 ARG 66 1HB ARG 66 9.263 3.488 -10.878 516 HB3 ARG 66 2HB ARG 66 8.421 4.884 -10.221 517 HG2 ARG 66 1HG ARG 66 7.758 5.585 -12.530 518 HG3 ARG 66 2HG ARG 66 8.596 4.200 -13.203 519 HD2 ARG 66 1HD ARG 66 6.224 4.118 -11.306 520 HD3 ARG 66 2HD ARG 66 6.183 3.811 -13.052 521 HE ARG 66 HE ARG 66 8.048 1.996 -12.000 522 HH11 ARG 66 1HH1 ARG 66 4.546 2.501 -11.882 523 HH12 ARG 66 2HH1 ARG 66 4.312 0.802 -11.477 524 HH21 ARG 66 1HH2 ARG 66 7.573 -0.033 -11.264 525 HH22 ARG 66 2HH2 ARG 66 5.903 -0.556 -11.191 526 H ASN 67 H ASN 67 10.452 6.135 -13.660 527 HA ASN 67 HA ASN 67 11.834 3.937 -14.890 528 HB2 ASN 67 1HB ASN 67 11.447 6.844 -15.750 529 HB3 ASN 67 2HB ASN 67 12.035 5.549 -16.791 530 HD21 ASN 67 1HD2 ASN 67 9.185 7.121 -15.635 531 HD22 ASN 67 2HD2 ASN 67 8.061 5.932 -16.275 532 H GLU 68 H GLU 68 13.056 6.595 -12.966 533 HA GLU 68 HA GLU 68 15.817 6.393 -13.954 534 HB2 GLU 68 1HB GLU 68 14.697 7.749 -11.472 535 HB3 GLU 68 2HB GLU 68 16.315 7.948 -12.129 536 HG2 GLU 68 1HG GLU 68 13.700 8.858 -13.388 537 HG3 GLU 68 2HG GLU 68 14.983 9.863 -12.728 538 H ILE 69 H ILE 69 13.927 4.449 -11.827 539 HA ILE 69 HA ILE 69 16.065 3.637 -10.019 540 HB ILE 69 HB ILE 69 13.403 2.331 -10.696 541 HG12 ILE 69 1HG1 ILE 69 14.252 4.001 -8.275 542 HG13 ILE 69 2HG1 ILE 69 13.256 4.596 -9.602 543 HG21 ILE 69 1HG2 ILE 69 15.076 0.681 -9.830 544 HG22 ILE 69 2HG2 ILE 69 15.299 1.710 -8.400 545 HG23 ILE 69 3HG2 ILE 69 13.736 0.929 -8.730 546 HD11 ILE 69 1HD1 ILE 69 11.821 4.067 -7.770 547 HD12 ILE 69 2HD1 ILE 69 11.518 2.884 -9.059 548 HD13 ILE 69 3HD1 ILE 69 12.470 2.436 -7.620 549 H LYS 70 H LYS 70 17.538 2.103 -10.283 550 HA LYS 70 HA LYS 70 17.454 0.313 -12.678 551 HB2 LYS 70 1HB LYS 70 19.848 1.692 -11.389 552 HB3 LYS 70 2HB LYS 70 19.968 0.475 -12.667 553 HG2 LYS 70 1HG LYS 70 18.665 1.900 -14.200 554 HG3 LYS 70 2HG LYS 70 18.532 3.156 -12.966 555 HD2 LYS 70 1HD LYS 70 21.159 2.148 -14.129 556 HD3 LYS 70 2HD LYS 70 20.291 3.597 -14.664 557 HE2 LYS 70 1HE LYS 70 20.470 4.550 -12.367 558 HE3 LYS 70 2HE LYS 70 21.393 3.132 -11.856 559 HZ1 LYS 70 1HZ LYS 70 23.092 3.726 -13.502 560 HZ2 LYS 70 2HZ LYS 70 22.862 4.963 -12.464 561 HZ3 LYS 70 3HZ LYS 70 22.241 5.041 -13.970 562 H ASN 71 H ASN 71 18.827 -1.649 -12.457 563 HA ASN 71 HA ASN 71 17.983 -3.179 -10.201 564 HB2 ASN 71 1HB ASN 71 18.553 -4.006 -12.539 565 HB3 ASN 71 2HB ASN 71 20.260 -3.815 -12.131 566 HD21 ASN 71 1HD2 ASN 71 21.225 -5.595 -11.110 567 HD22 ASN 71 2HD2 ASN 71 20.298 -6.917 -10.416 568 H GLY 72 H GLY 72 18.735 -3.270 -8.201 569 HA2 GLY 72 1HA GLY 72 20.317 -3.434 -6.468 570 HA3 GLY 72 2HA GLY 72 21.577 -2.770 -7.503 571 H THR 73 H THR 73 18.651 -0.881 -7.602 572 HA THR 73 HA THR 73 19.898 1.385 -6.295 573 HB THR 73 HB THR 73 16.975 0.938 -6.994 574 HG1 THR 73 1HG THR 73 18.282 0.949 -8.769 575 HG21 THR 73 1HG2 THR 73 18.447 3.526 -6.323 576 HG22 THR 73 2HG2 THR 73 17.153 2.779 -5.362 577 HG23 THR 73 3HG2 THR 73 16.797 3.409 -6.968 578 H ILE 74 H ILE 74 19.986 1.940 -4.176 579 HA ILE 74 HA ILE 74 18.429 0.410 -2.202 580 HB ILE 74 HB ILE 74 20.288 2.698 -1.576 581 HG12 ILE 74 1HG1 ILE 74 21.067 -0.251 -1.767 582 HG13 ILE 74 2HG1 ILE 74 21.548 0.993 -2.923 583 HG21 ILE 74 1HG2 ILE 74 20.326 1.722 0.646 584 HG22 ILE 74 2HG2 ILE 74 18.629 1.753 0.181 585 HG23 ILE 74 3HG2 ILE 74 19.523 0.242 0.078 586 HD11 ILE 74 1HD1 ILE 74 22.707 2.245 -1.132 587 HD12 ILE 74 2HD1 ILE 74 22.377 0.898 -0.010 588 HD13 ILE 74 3HD1 ILE 74 23.379 0.633 -1.445 589 H LEU 75 H LEU 75 16.591 1.066 -1.381 590 HA LEU 75 HA LEU 75 15.547 3.840 -1.816 591 HB2 LEU 75 1HB LEU 75 14.086 1.182 -1.957 592 HB3 LEU 75 2HB LEU 75 13.303 2.755 -2.042 593 HG LEU 75 HG LEU 75 15.240 1.624 -4.103 594 HD11 LEU 75 1HD1 LEU 75 12.244 2.169 -4.224 595 HD12 LEU 75 2HD1 LEU 75 12.991 0.567 -4.036 596 HD13 LEU 75 3HD1 LEU 75 13.256 1.499 -5.519 597 HD21 LEU 75 1HD2 LEU 75 13.669 4.244 -4.071 598 HD22 LEU 75 2HD2 LEU 75 14.491 3.569 -5.493 599 HD23 LEU 75 3HD2 LEU 75 15.439 4.063 -4.092 600 H ARG 76 H ARG 76 13.534 4.079 -0.341 601 HA ARG 76 HA ARG 76 13.781 2.911 2.379 602 HB2 ARG 76 1HB ARG 76 15.198 4.885 2.405 603 HB3 ARG 76 2HB ARG 76 13.951 5.861 1.621 604 HG2 ARG 76 1HG ARG 76 12.543 5.801 3.580 605 HG3 ARG 76 2HG ARG 76 13.548 4.555 4.336 606 HD2 ARG 76 1HD ARG 76 13.936 6.757 5.343 607 HD3 ARG 76 2HD ARG 76 15.392 6.117 4.593 608 HE ARG 76 HE ARG 76 13.637 8.288 3.445 609 HH11 ARG 76 1HH1 ARG 76 16.847 6.852 3.587 610 HH12 ARG 76 2HH1 ARG 76 17.541 8.195 2.697 611 HH21 ARG 76 1HH2 ARG 76 14.594 9.847 2.268 612 HH22 ARG 76 2HH2 ARG 76 16.321 9.774 1.931 613 H LEU 77 H LEU 77 11.856 2.583 3.326 614 HA LEU 77 HA LEU 77 9.365 3.470 1.971 615 HB2 LEU 77 1HB LEU 77 9.466 1.170 2.718 616 HB3 LEU 77 2HB LEU 77 9.892 1.663 4.358 617 HG LEU 77 HG LEU 77 7.605 2.771 4.470 618 HD11 LEU 77 1HD1 LEU 77 7.100 2.991 2.061 619 HD12 LEU 77 2HD1 LEU 77 5.929 1.873 2.783 620 HD13 LEU 77 3HD1 LEU 77 7.278 1.238 1.836 621 HD21 LEU 77 1HD2 LEU 77 7.612 -0.202 3.896 622 HD22 LEU 77 2HD2 LEU 77 6.396 0.697 4.829 623 HD23 LEU 77 3HD2 LEU 77 8.056 0.558 5.440 624 H THR 78 H THR 78 8.060 5.076 2.738 625 HA THR 78 HA THR 78 8.341 6.206 5.430 626 HB THR 78 HB THR 78 10.227 7.271 4.387 627 HG1 THR 78 1HG THR 78 9.191 8.699 5.618 628 HG21 THR 78 1HG2 THR 78 8.376 7.872 2.072 629 HG22 THR 78 2HG2 THR 78 9.944 7.061 2.060 630 HG23 THR 78 3HG2 THR 78 9.866 8.800 2.375 631 H THR 79 H THR 79 6.638 7.851 5.868 632 HA THR 79 HA THR 79 4.191 7.369 4.337 633 HB THR 79 HB THR 79 3.208 9.120 5.834 634 HG1 THR 79 1HG THR 79 4.463 9.478 7.755 635 HG21 THR 79 1HG2 THR 79 2.965 6.702 6.273 636 HG22 THR 79 2HG2 THR 79 3.047 7.639 7.765 637 HG23 THR 79 3HG2 THR 79 4.472 6.719 7.215 638 H SER 80 H SER 80 3.047 8.868 3.158 639 HA SER 80 HA SER 80 4.594 10.179 1.223 640 HB2 SER 80 1HB SER 80 2.597 10.509 0.096 641 HB3 SER 80 2HB SER 80 2.172 9.195 1.180 642 HG SER 80 HG SER 80 0.597 10.808 1.221 643 HA PRO 81 HA PRO 81 5.187 14.379 2.553 644 HB2 PRO 81 1HB PRO 81 4.820 15.897 0.287 645 HB3 PRO 81 2HB PRO 81 6.239 14.849 0.564 646 HG2 PRO 81 1HG PRO 81 3.733 14.232 -1.023 647 HG3 PRO 81 2HG PRO 81 5.442 13.970 -1.501 648 HD2 PRO 81 1HD PRO 81 3.908 11.979 -0.499 649 HD3 PRO 81 2HD PRO 81 5.638 12.089 -0.101 650 H ALA 82 H ALA 82 2.125 13.533 1.026 651 HA ALA 82 HA ALA 82 0.654 15.879 1.943 652 HB1 ALA 82 1HB ALA 82 -0.285 13.163 0.916 653 HB2 ALA 82 2HB ALA 82 -1.294 14.606 1.145 654 HB3 ALA 82 3HB ALA 82 -0.004 14.617 -0.070 655 H GLN 83 H GLN 83 1.115 12.500 3.144 656 HA GLN 83 HA GLN 83 -0.592 12.795 5.459 657 HB2 GLN 83 1HB GLN 83 1.731 10.937 4.812 658 HB3 GLN 83 2HB GLN 83 0.802 10.817 6.301 659 HG2 GLN 83 1HG GLN 83 -0.406 10.604 3.508 660 HG3 GLN 83 2HG GLN 83 0.075 9.246 4.511 661 HE21 GLN 83 1HE2 GLN 83 -2.590 9.625 3.501 662 HE22 GLN 83 2HE2 GLN 83 -3.616 9.851 4.910 663 H ASN 84 H ASN 84 2.845 13.502 4.909 664 HA ASN 84 HA ASN 84 3.300 14.415 7.660 665 HB2 ASN 84 1HB ASN 84 4.939 14.515 5.097 666 HB3 ASN 84 2HB ASN 84 5.479 15.239 6.611 667 HD21 ASN 84 1HD2 ASN 84 4.853 12.162 4.984 668 HD22 ASN 84 2HD2 ASN 84 5.523 11.168 6.268 669 H ALA 85 H ALA 85 1.572 15.780 5.180 670 HA ALA 85 HA ALA 85 0.609 17.698 4.701 671 HB1 ALA 85 1HB ALA 85 -0.064 19.103 6.566 672 HB2 ALA 85 2HB ALA 85 -0.148 17.389 7.011 673 HB3 ALA 85 3HB ALA 85 1.197 18.396 7.595 674 H GLN 86 H GLN 86 3.844 18.228 5.900 675 HA GLN 86 HA GLN 86 4.015 21.031 5.294 676 HB2 GLN 86 1HB GLN 86 6.070 18.874 5.862 677 HB3 GLN 86 2HB GLN 86 6.485 20.586 5.714 678 HG2 GLN 86 1HG GLN 86 5.443 21.180 7.707 679 HG3 GLN 86 2HG GLN 86 4.303 19.840 7.667 680 HE21 GLN 86 1HE2 GLN 86 5.034 17.667 8.267 681 HE22 GLN 86 2HE2 GLN 86 6.466 17.514 9.289 682 H GLN 87 H GLN 87 4.276 18.291 3.220 683 HA GLN 87 HA GLN 87 4.923 17.989 1.072 684 HB2 GLN 87 1HB GLN 87 3.696 19.400 -0.452 685 HB3 GLN 87 2HB GLN 87 2.740 18.921 0.944 686 HG2 GLN 87 1HG GLN 87 2.916 21.146 1.922 687 HG3 GLN 87 2HG GLN 87 4.055 21.660 0.677 688 HE21 GLN 87 1HE2 GLN 87 2.184 23.403 0.737 689 HE22 GLN 87 2HE2 GLN 87 0.914 23.118 -0.447 690 H LEU 88 H LEU 88 7.242 18.626 2.163 691 HA LEU 88 HA LEU 88 8.647 20.842 1.070 692 HB2 LEU 88 1HB LEU 88 9.770 18.146 1.945 693 HB3 LEU 88 2HB LEU 88 10.678 19.612 1.669 694 HG LEU 88 HG LEU 88 10.594 19.427 3.952 695 HD11 LEU 88 1HD1 LEU 88 9.358 21.325 4.796 696 HD12 LEU 88 2HD1 LEU 88 8.281 21.316 3.385 697 HD13 LEU 88 3HD1 LEU 88 10.005 21.708 3.190 698 HD21 LEU 88 1HD2 LEU 88 8.714 18.964 5.352 699 HD22 LEU 88 2HD2 LEU 88 8.828 17.699 4.120 700 HD23 LEU 88 3HD2 LEU 88 7.598 18.977 3.981 701 H HIS 89 H HIS 89 9.986 21.103 -0.642 702 HA HIS 89 HA HIS 89 10.111 19.006 -2.785 703 HB2 HIS 89 1HB HIS 89 9.450 20.689 -4.448 704 HB3 HIS 89 2HB HIS 89 8.175 20.408 -3.270 705 HD2 HIS 89 2HD HIS 89 7.372 22.448 -1.800 706 HE1 HIS 89 1HE HIS 89 10.136 25.391 -3.182 707 HE2 HIS 89 2HE HIS 89 8.059 24.995 -1.761 708 H GLU 90 H GLU 90 11.692 21.412 -0.988 709 HA GLU 90 HA GLU 90 13.733 22.251 -2.797 710 HB2 GLU 90 1HB GLU 90 13.742 22.194 0.259 711 HB3 GLU 90 2HB GLU 90 14.780 23.135 -0.801 712 HG2 GLU 90 1HG GLU 90 13.295 24.747 -0.271 713 HG3 GLU 90 2HG GLU 90 12.499 24.137 -1.710 714 H ARG 91 H ARG 91 15.272 20.980 -3.655 715 HA ARG 91 HA ARG 91 15.977 18.376 -2.702 716 HB2 ARG 91 1HB ARG 91 16.148 19.137 -5.061 717 HB3 ARG 91 2HB ARG 91 17.485 20.207 -4.616 718 HG2 ARG 91 1HG ARG 91 18.841 18.217 -3.939 719 HG3 ARG 91 2HG ARG 91 17.472 17.167 -4.318 720 HD2 ARG 91 1HD ARG 91 19.004 17.083 -6.171 721 HD3 ARG 91 2HD ARG 91 17.559 17.967 -6.690 722 HE ARG 91 HE ARG 91 19.840 19.570 -5.651 723 HH11 ARG 91 1HH1 ARG 91 20.737 21.047 -6.836 724 HH12 ARG 91 2HH1 ARG 91 20.438 21.174 -8.562 725 HH21 ARG 91 1HH2 ARG 91 18.280 18.473 -8.604 726 HH22 ARG 91 2HH2 ARG 91 19.051 19.721 -9.547 727 H ILE 92 H ILE 92 17.418 17.665 -1.278 728 HA ILE 92 HA ILE 92 19.011 19.610 0.279 729 HB ILE 92 HB ILE 92 18.572 16.633 0.646 730 HG12 ILE 92 1HG1 ILE 92 17.516 19.098 2.117 731 HG13 ILE 92 2HG1 ILE 92 16.581 18.061 1.042 732 HG21 ILE 92 1HG2 ILE 92 20.067 18.600 2.440 733 HG22 ILE 92 2HG2 ILE 92 19.700 16.906 2.830 734 HG23 ILE 92 3HG2 ILE 92 20.798 17.260 1.518 735 HD11 ILE 92 1HD1 ILE 92 17.681 17.292 3.765 736 HD12 ILE 92 2HD1 ILE 92 15.994 17.506 3.283 737 HD13 ILE 92 3HD1 ILE 92 16.927 16.152 2.622 738 H GLN 93 H GLN 93 20.881 20.267 -0.475 739 HA GLN 93 HA GLN 93 22.497 18.753 -2.374 740 HB2 GLN 93 1HB GLN 93 22.974 21.356 -0.861 741 HB3 GLN 93 2HB GLN 93 24.046 20.729 -2.103 742 HG2 GLN 93 1HG GLN 93 21.129 21.548 -2.516 743 HG3 GLN 93 2HG GLN 93 22.552 22.484 -2.965 744 HE21 GLN 93 1HE2 GLN 93 24.172 20.391 -4.169 745 HE22 GLN 93 2HE2 GLN 93 23.311 19.876 -5.608 746 H SER 94 H SER 94 22.481 19.024 1.110 747 HA SER 94 HA SER 94 25.243 18.389 1.596 748 HB2 SER 94 1HB SER 94 23.787 19.524 3.228 749 HB3 SER 94 2HB SER 94 22.828 18.041 3.406 750 HG SER 94 HG SER 94 24.469 18.287 5.027 751 H SER 95 H SER 95 26.258 16.497 2.132 752 HA SER 95 HA SER 95 24.867 13.948 2.374 753 HB2 SER 95 1HB SER 95 25.050 14.153 -0.094 754 HB3 SER 95 2HB SER 95 26.801 14.383 0.066 755 HG SER 95 HG SER 95 25.233 12.074 0.524 756 H SER 96 H SER 96 26.068 12.459 3.520 757 HA SER 96 HA SER 96 28.331 13.503 5.023 758 HB2 SER 96 1HB SER 96 26.536 12.181 6.051 759 HB3 SER 96 2HB SER 96 26.988 10.777 5.066 760 HG SER 96 HG SER 96 27.890 10.749 7.202 761 H MET 97 H MET 97 27.968 10.969 2.526 762 HA MET 97 HA MET 97 30.840 10.896 1.988 763 HB2 MET 97 1HB MET 97 30.581 9.444 3.998 764 HB3 MET 97 2HB MET 97 29.434 8.432 3.115 765 HG2 MET 97 1HG MET 97 31.161 7.666 1.616 766 HG3 MET 97 2HG MET 97 32.265 8.937 2.149 767 HE1 MET 97 1HE MET 97 30.001 6.404 4.257 768 HE2 MET 97 2HE MET 97 30.701 5.424 2.946 769 HE3 MET 97 3HE MET 97 31.210 5.157 4.626 770 H ASP 98 H ASP 98 31.367 9.704 0.069 771 HA ASP 98 HA ASP 98 29.508 10.028 -2.034 772 HB2 ASP 98 1HB ASP 98 32.074 8.401 -1.970 773 HB3 ASP 98 2HB ASP 98 31.226 8.908 -3.427 774 H ALA 99 H ALA 99 29.715 7.333 0.072 775 HA ALA 99 HA ALA 99 27.635 5.931 -1.453 776 HB1 ALA 99 1HB ALA 99 29.716 4.831 -2.210 777 HB2 ALA 99 2HB ALA 99 30.181 4.529 -0.520 778 HB3 ALA 99 3HB ALA 99 28.746 3.737 -1.206 779 H LYS 100 H LYS 100 26.293 4.631 -0.146 780 HA LYS 100 HA LYS 100 26.366 5.298 2.756 781 HB2 LYS 100 1HB LYS 100 24.387 5.900 1.270 782 HB3 LYS 100 2HB LYS 100 24.031 4.168 1.170 783 HG2 LYS 100 1HG LYS 100 23.828 4.099 3.667 784 HG3 LYS 100 2HG LYS 100 24.223 5.828 3.730 785 HD2 LYS 100 1HD LYS 100 22.186 6.268 2.285 786 HD3 LYS 100 2HD LYS 100 21.779 4.544 2.438 787 HE2 LYS 100 1HE LYS 100 21.804 4.830 4.947 788 HE3 LYS 100 2HE LYS 100 22.093 6.563 4.711 789 HZ1 LYS 100 1HZ LYS 100 19.706 5.005 3.890 790 HZ2 LYS 100 2HZ LYS 100 19.959 6.550 3.387 791 HZ3 LYS 100 3HZ LYS 100 19.751 6.212 4.989 792 H LEU 101 H LEU 101 26.410 3.801 4.330 793 HA LEU 101 HA LEU 101 26.230 0.905 3.725 794 HB2 LEU 101 1HB LEU 101 28.540 2.169 5.274 795 HB3 LEU 101 2HB LEU 101 28.167 0.460 5.181 796 HG LEU 101 HG LEU 101 28.383 0.912 2.527 797 HD11 LEU 101 1HD1 LEU 101 30.374 2.864 3.781 798 HD12 LEU 101 2HD1 LEU 101 28.971 3.350 2.816 799 HD13 LEU 101 3HD1 LEU 101 30.270 2.418 2.065 800 HD21 LEU 101 1HD2 LEU 101 29.640 -0.760 3.800 801 HD22 LEU 101 2HD2 LEU 101 30.721 0.503 4.431 802 HD23 LEU 101 3HD2 LEU 101 30.708 0.116 2.695 803 H GLU 102 H GLU 102 25.570 -0.366 5.457 804 HA GLU 102 HA GLU 102 24.903 0.860 8.063 805 HB2 GLU 102 1HB GLU 102 22.878 -0.512 6.245 806 HB3 GLU 102 2HB GLU 102 22.613 -0.221 7.955 807 HG2 GLU 102 1HG GLU 102 22.986 1.922 5.822 808 HG3 GLU 102 2HG GLU 102 21.466 1.418 6.543 809 H ALA 103 H ALA 103 24.667 -0.644 9.762 810 HA ALA 103 HA ALA 103 26.192 -3.094 9.452 811 HB1 ALA 103 1HB ALA 103 26.348 -1.687 11.466 812 HB2 ALA 103 2HB ALA 103 24.631 -1.992 11.826 813 HB3 ALA 103 3HB ALA 103 25.804 -3.327 11.871 814 H LEU 104 H LEU 104 25.539 -5.191 9.551 815 HA LEU 104 HA LEU 104 22.620 -5.840 9.464 816 HB2 LEU 104 1HB LEU 104 24.849 -7.049 7.796 817 HB3 LEU 104 2HB LEU 104 23.163 -7.553 7.765 818 HG LEU 104 HG LEU 104 24.158 -4.803 6.900 819 HD11 LEU 104 1HD1 LEU 104 23.242 -7.199 5.259 820 HD12 LEU 104 2HD1 LEU 104 24.913 -6.608 5.404 821 HD13 LEU 104 3HD1 LEU 104 23.686 -5.595 4.628 822 HD21 LEU 104 1HD2 LEU 104 21.809 -4.717 7.656 823 HD22 LEU 104 2HD2 LEU 104 21.416 -6.123 6.640 824 HD23 LEU 104 3HD2 LEU 104 21.904 -4.579 5.900 825 H LYS 105 H LYS 105 24.667 -5.960 11.690 826 HA LYS 105 HA LYS 105 25.241 -8.728 12.294 827 HB2 LYS 105 1HB LYS 105 25.133 -6.261 14.088 828 HB3 LYS 105 2HB LYS 105 25.753 -7.844 14.574 829 HG2 LYS 105 1HG LYS 105 27.489 -7.724 12.799 830 HG3 LYS 105 2HG LYS 105 26.903 -6.113 12.338 831 HD2 LYS 105 1HD LYS 105 27.411 -5.270 14.616 832 HD3 LYS 105 2HD LYS 105 28.009 -6.881 15.077 833 HE2 LYS 105 1HE LYS 105 29.729 -6.748 13.285 834 HE3 LYS 105 2HE LYS 105 29.137 -5.145 12.830 835 HZ1 LYS 105 1HZ LYS 105 31.058 -4.991 14.307 836 HZ2 LYS 105 2HZ LYS 105 30.302 -5.840 15.476 837 HZ3 LYS 105 3HZ LYS 105 29.755 -4.359 15.056 838 H ASP 106 H ASP 106 24.324 -10.110 13.803 839 HA ASP 106 HA ASP 106 21.443 -10.118 13.976 840 HB2 ASP 106 1HB ASP 106 23.491 -11.811 15.446 841 HB3 ASP 106 2HB ASP 106 21.754 -12.109 15.401 842 H LEU 107 H LEU 107 20.079 -9.413 15.515 843 HA LEU 107 HA LEU 107 21.051 -7.966 17.879 844 HB2 LEU 107 1HB LEU 107 18.240 -8.669 16.952 845 HB3 LEU 107 2HB LEU 107 18.623 -7.630 18.321 846 HG LEU 107 HG LEU 107 19.348 -7.025 15.417 847 HD11 LEU 107 1HD1 LEU 107 16.924 -6.928 15.852 848 HD12 LEU 107 2HD1 LEU 107 17.596 -5.314 15.569 849 HD13 LEU 107 3HD1 LEU 107 17.207 -5.835 17.226 850 HD21 LEU 107 1HD2 LEU 107 20.942 -5.946 16.937 851 HD22 LEU 107 2HD2 LEU 107 19.606 -5.325 17.937 852 HD23 LEU 107 3HD2 LEU 107 19.836 -4.743 16.274 853 H ALA 108 H ALA 108 20.775 -8.526 20.025 854 HA ALA 108 HA ALA 108 20.814 -11.343 20.694 855 HB1 ALA 108 1HB ALA 108 20.672 -8.865 22.463 856 HB2 ALA 108 2HB ALA 108 21.048 -10.515 23.002 857 HB3 ALA 108 3HB ALA 108 22.157 -9.673 21.903 858 H SER 109 H SER 109 19.292 -12.604 21.704 859 HA SER 109 HA SER 109 16.742 -11.607 22.688 860 HB2 SER 109 1HB SER 109 16.345 -11.656 20.223 861 HB3 SER 109 2HB SER 109 16.758 -13.380 20.210 862 HG SER 109 HG SER 109 14.481 -12.967 20.340 863 H LEU 110 H LEU 110 15.448 -13.315 23.645 864 HA LEU 110 HA LEU 110 16.766 -15.939 24.133 865 HB2 LEU 110 1HB LEU 110 15.679 -14.073 26.274 866 HB3 LEU 110 2HB LEU 110 16.057 -15.769 26.545 867 HG LEU 110 HG LEU 110 18.112 -13.679 25.689 868 HD11 LEU 110 1HD1 LEU 110 17.553 -14.885 28.429 869 HD12 LEU 110 2HD1 LEU 110 17.216 -13.211 27.934 870 HD13 LEU 110 3HD1 LEU 110 18.889 -13.784 28.017 871 HD21 LEU 110 1HD2 LEU 110 18.420 -16.538 26.719 872 HD22 LEU 110 2HD2 LEU 110 19.752 -15.394 26.434 873 HD23 LEU 110 3HD2 LEU 110 18.789 -15.973 25.073 874 H SER 111 H SER 111 15.392 -17.214 23.083 875 HA SER 111 HA SER 111 12.543 -16.747 22.910 876 HB2 SER 111 1HB SER 111 14.147 -19.213 22.143 877 HB3 SER 111 2HB SER 111 12.528 -18.785 21.568 878 HG SER 111 HG SER 111 13.397 -17.010 20.492 879 H ARG 112 H ARG 112 14.388 -18.360 25.306 880 HA ARG 112 HA ARG 112 12.528 -20.495 25.975 881 HB2 ARG 112 1HB ARG 112 14.869 -19.305 27.524 882 HB3 ARG 112 2HB ARG 112 13.973 -20.754 27.993 883 HG2 ARG 112 1HG ARG 112 14.597 -21.827 25.818 884 HG3 ARG 112 2HG ARG 112 15.607 -20.428 25.435 885 HD2 ARG 112 1HD ARG 112 15.938 -22.256 27.853 886 HD3 ARG 112 2HD ARG 112 16.888 -22.360 26.378 887 HE ARG 112 HE ARG 112 17.160 -20.410 28.550 888 HH11 ARG 112 1HH1 ARG 112 18.909 -19.054 28.579 889 HH12 ARG 112 2HH1 ARG 112 19.880 -18.851 27.151 890 HH21 ARG 112 1HH2 ARG 112 18.052 -21.006 25.210 891 HH22 ARG 112 2HH2 ARG 112 19.409 -19.917 25.289 892 H ASP 113 H ASP 113 11.320 -20.764 27.794 893 HA ASP 113 HA ASP 113 9.568 -20.276 29.148 894 HB2 ASP 113 1HB ASP 113 11.584 -18.389 30.386 895 HB3 ASP 113 2HB ASP 113 10.137 -19.029 31.163 Start of MODEL 5 1 H1 GLY 0 1H GLY 0 10.236 -19.984 -30.760 2 H2 GLY 0 2H GLY 0 9.555 -18.566 -30.298 3 H3 GLY 0 3H GLY 0 8.914 -19.985 -29.791 4 HA2 GLY 0 1HA GLY 0 10.884 -20.492 -28.503 5 HA3 GLY 0 2HA GLY 0 11.577 -18.957 -29.053 6 H MET 1 H MET 1 11.624 -19.081 -26.487 7 HA MET 1 HA MET 1 9.246 -18.394 -25.047 8 HB2 MET 1 1HB MET 1 10.710 -17.981 -23.179 9 HB3 MET 1 2HB MET 1 11.262 -19.415 -24.038 10 HG2 MET 1 1HG MET 1 13.019 -18.006 -25.156 11 HG3 MET 1 2HG MET 1 12.476 -16.625 -24.196 12 HE1 MET 1 1HE MET 1 15.487 -17.542 -24.325 13 HE2 MET 1 2HE MET 1 14.905 -16.178 -23.343 14 HE3 MET 1 3HE MET 1 15.947 -17.419 -22.613 15 HA PRO 2 HA PRO 2 8.930 -14.000 -25.831 16 HB2 PRO 2 1HB PRO 2 7.741 -13.058 -23.546 17 HB3 PRO 2 2HB PRO 2 6.887 -14.070 -24.750 18 HG2 PRO 2 1HG PRO 2 8.238 -14.974 -22.183 19 HG3 PRO 2 2HG PRO 2 6.581 -15.358 -22.753 20 HD2 PRO 2 1HD PRO 2 8.644 -17.067 -23.150 21 HD3 PRO 2 2HD PRO 2 7.395 -16.840 -24.408 22 HA PRO 3 HA PRO 3 12.491 -12.044 -23.946 23 HB2 PRO 3 1HB PRO 3 11.922 -9.367 -24.145 24 HB3 PRO 3 2HB PRO 3 12.303 -10.397 -25.559 25 HG2 PRO 3 1HG PRO 3 9.560 -9.626 -24.504 26 HG3 PRO 3 2HG PRO 3 10.167 -9.512 -26.187 27 HD2 PRO 3 1HD PRO 3 8.681 -11.623 -25.354 28 HD3 PRO 3 2HD PRO 3 10.045 -11.856 -26.487 29 HA PRO 4 HA PRO 4 11.515 -11.340 -19.660 30 HB2 PRO 4 1HB PRO 4 13.612 -9.827 -18.752 31 HB3 PRO 4 2HB PRO 4 13.769 -11.547 -19.221 32 HG2 PRO 4 1HG PRO 4 14.371 -9.097 -20.912 33 HG3 PRO 4 2HG PRO 4 15.410 -10.534 -20.641 34 HD2 PRO 4 1HD PRO 4 13.848 -10.311 -22.848 35 HD3 PRO 4 2HD PRO 4 14.054 -11.889 -22.031 36 H ALA 5 H ALA 5 10.565 -9.893 -18.247 37 HA ALA 5 HA ALA 5 9.475 -7.418 -19.326 38 HB1 ALA 5 1HB ALA 5 8.110 -8.915 -17.974 39 HB2 ALA 5 2HB ALA 5 9.240 -8.780 -16.611 40 HB3 ALA 5 3HB ALA 5 8.294 -7.367 -17.132 41 H ASP 6 H ASP 6 9.487 -5.404 -18.031 42 HA ASP 6 HA ASP 6 12.209 -4.473 -17.545 43 HB2 ASP 6 1HB ASP 6 9.536 -3.037 -17.427 44 HB3 ASP 6 2HB ASP 6 11.120 -2.265 -17.300 45 H ILE 7 H ILE 7 12.299 -6.137 -15.728 46 HA ILE 7 HA ILE 7 11.346 -5.025 -13.127 47 HB ILE 7 HB ILE 7 12.273 -7.843 -13.740 48 HG12 ILE 7 1HG1 ILE 7 9.489 -6.623 -13.625 49 HG13 ILE 7 2HG1 ILE 7 10.247 -7.424 -14.988 50 HG21 ILE 7 1HG2 ILE 7 10.857 -6.678 -11.301 51 HG22 ILE 7 2HG2 ILE 7 11.303 -8.384 -11.536 52 HG23 ILE 7 3HG2 ILE 7 12.563 -7.186 -11.365 53 HD11 ILE 7 1HD1 ILE 7 10.201 -9.578 -13.701 54 HD12 ILE 7 2HD1 ILE 7 9.238 -8.740 -12.452 55 HD13 ILE 7 3HD1 ILE 7 8.608 -8.896 -14.094 56 H VAL 8 H VAL 8 12.686 -4.447 -11.535 57 HA VAL 8 HA VAL 8 15.624 -4.921 -11.784 58 HB VAL 8 HB VAL 8 15.952 -2.605 -10.900 59 HG11 VAL 8 1HG1 VAL 8 16.385 -3.207 -13.254 60 HG12 VAL 8 2HG1 VAL 8 14.705 -2.801 -13.669 61 HG13 VAL 8 3HG1 VAL 8 15.809 -1.538 -13.103 62 HG21 VAL 8 1HG2 VAL 8 14.264 -0.881 -11.361 63 HG22 VAL 8 2HG2 VAL 8 13.080 -2.122 -11.789 64 HG23 VAL 8 3HG2 VAL 8 13.707 -2.017 -10.127 65 H LYS 9 H LYS 9 16.668 -5.496 -9.989 66 HA LYS 9 HA LYS 9 15.210 -5.953 -7.482 67 HB2 LYS 9 1HB LYS 9 18.085 -6.408 -8.364 68 HB3 LYS 9 2HB LYS 9 17.562 -6.646 -6.688 69 HG2 LYS 9 1HG LYS 9 15.918 -8.296 -7.327 70 HG3 LYS 9 2HG LYS 9 16.223 -8.007 -9.048 71 HD2 LYS 9 1HD LYS 9 18.548 -8.845 -8.775 72 HD3 LYS 9 2HD LYS 9 18.237 -9.131 -7.046 73 HE2 LYS 9 1HE LYS 9 16.408 -10.706 -7.641 74 HE3 LYS 9 2HE LYS 9 16.703 -10.413 -9.357 75 HZ1 LYS 9 1HZ LYS 9 17.812 -12.436 -8.604 76 HZ2 LYS 9 2HZ LYS 9 18.665 -11.622 -7.476 77 HZ3 LYS 9 3HZ LYS 9 18.938 -11.349 -9.066 78 H VAL 10 H VAL 10 15.401 -4.953 -5.591 79 HA VAL 10 HA VAL 10 17.130 -2.546 -5.278 80 HB VAL 10 HB VAL 10 15.293 -1.193 -4.442 81 HG11 VAL 10 1HG1 VAL 10 14.550 -2.179 -7.221 82 HG12 VAL 10 2HG1 VAL 10 14.287 -0.575 -6.512 83 HG13 VAL 10 3HG1 VAL 10 15.930 -1.118 -6.875 84 HG21 VAL 10 1HG2 VAL 10 12.946 -1.789 -4.741 85 HG22 VAL 10 2HG2 VAL 10 13.394 -3.387 -5.368 86 HG23 VAL 10 3HG2 VAL 10 13.725 -2.957 -3.678 87 H ALA 11 H ALA 11 17.356 -1.795 -3.111 88 HA ALA 11 HA ALA 11 16.591 -3.741 -0.962 89 HB1 ALA 11 1HB ALA 11 19.034 -3.811 -1.427 90 HB2 ALA 11 2HB ALA 11 19.130 -2.065 -1.130 91 HB3 ALA 11 3HB ALA 11 18.669 -3.165 0.188 92 H ILE 12 H ILE 12 15.184 -2.864 0.443 93 HA ILE 12 HA ILE 12 14.837 0.090 0.454 94 HB ILE 12 HB ILE 12 12.855 -2.060 1.198 95 HG12 ILE 12 1HG1 ILE 12 12.854 -0.415 -1.365 96 HG13 ILE 12 2HG1 ILE 12 13.590 -2.013 -1.296 97 HG21 ILE 12 1HG2 ILE 12 12.432 0.179 2.261 98 HG22 ILE 12 2HG2 ILE 12 12.470 0.928 0.655 99 HG23 ILE 12 3HG2 ILE 12 11.194 -0.223 1.092 100 HD11 ILE 12 1HD1 ILE 12 10.693 -1.453 -0.677 101 HD12 ILE 12 2HD1 ILE 12 11.345 -2.155 -2.164 102 HD13 ILE 12 3HD1 ILE 12 11.496 -3.042 -0.628 103 H GLU 13 H GLU 13 15.272 1.223 2.149 104 HA GLU 13 HA GLU 13 15.946 0.076 4.765 105 HB2 GLU 13 1HB GLU 13 15.860 2.930 3.708 106 HB3 GLU 13 2HB GLU 13 16.390 2.504 5.324 107 HG2 GLU 13 1HG GLU 13 17.711 1.557 2.738 108 HG3 GLU 13 2HG GLU 13 18.249 2.909 3.726 109 H TRP 14 H TRP 14 14.876 0.271 6.652 110 HA TRP 14 HA TRP 14 12.704 2.140 7.051 111 HB2 TRP 14 1HB TRP 14 11.464 0.299 6.065 112 HB3 TRP 14 2HB TRP 14 12.176 -0.841 7.205 113 HD1 TRP 14 HD TRP 14 10.860 -1.269 9.337 114 HE1 TRP 14 1HE TRP 14 8.847 -0.228 10.543 115 HE3 TRP 14 3HE TRP 14 10.278 2.898 6.443 116 HZ2 TRP 14 2HZ TRP 14 7.218 2.153 10.305 117 HZ3 TRP 14 3HZ TRP 14 8.535 4.578 6.990 118 HH2 TRP 14 HH TRP 14 6.999 4.217 8.911 119 HA PRO 15 HA PRO 15 14.861 2.121 10.888 120 HB2 PRO 15 1HB PRO 15 12.300 2.950 12.242 121 HB3 PRO 15 2HB PRO 15 13.926 3.699 12.335 122 HG2 PRO 15 1HG PRO 15 12.021 4.819 10.780 123 HG3 PRO 15 2HG PRO 15 13.688 4.639 10.131 124 HD2 PRO 15 1HD PRO 15 11.306 2.807 9.722 125 HD3 PRO 15 2HD PRO 15 12.375 3.524 8.484 126 H GLY 16 H GLY 16 15.376 0.831 12.622 127 HA2 GLY 16 1HA GLY 16 15.297 -0.865 14.166 128 HA3 GLY 16 2HA GLY 16 13.536 -0.784 14.114 129 H ALA 17 H ALA 17 14.994 -1.450 11.042 130 HA ALA 17 HA ALA 17 14.736 -4.399 11.326 131 HB1 ALA 17 1HB ALA 17 13.263 -4.487 9.377 132 HB2 ALA 17 2HB ALA 17 12.519 -3.495 10.643 133 HB3 ALA 17 3HB ALA 17 13.281 -2.717 9.236 134 H TYR 18 H TYR 18 15.652 -5.620 9.617 135 HA TYR 18 HA TYR 18 18.055 -4.562 8.408 136 HB2 TYR 18 1HB TYR 18 16.542 -7.147 7.906 137 HB3 TYR 18 2HB TYR 18 18.162 -6.788 7.322 138 HD1 TYR 18 1HD TYR 18 16.247 -8.166 10.040 139 HD2 TYR 18 2HD TYR 18 20.003 -6.268 9.076 140 HE1 TYR 18 1HE TYR 18 17.240 -9.050 12.149 141 HE2 TYR 18 2HE TYR 18 20.990 -7.155 11.182 142 HH TYR 18 HH TYR 18 20.641 -8.395 13.077 143 HA PRO 19 HA PRO 19 16.376 -2.946 4.638 144 HB2 PRO 19 1HB PRO 19 18.635 -4.269 3.149 145 HB3 PRO 19 2HB PRO 19 18.083 -2.566 3.094 146 HG2 PRO 19 1HG PRO 19 20.295 -3.246 4.510 147 HG3 PRO 19 2HG PRO 19 19.108 -2.091 5.199 148 HD2 PRO 19 1HD PRO 19 19.379 -5.054 5.772 149 HD3 PRO 19 2HD PRO 19 19.189 -3.685 6.910 150 H LYS 20 H LYS 20 14.716 -3.617 3.386 151 HA LYS 20 HA LYS 20 14.245 -6.502 2.924 152 HB2 LYS 20 1HB LYS 20 12.384 -5.237 3.691 153 HB3 LYS 20 2HB LYS 20 12.574 -4.017 2.421 154 HG2 LYS 20 1HG LYS 20 11.900 -5.579 0.711 155 HG3 LYS 20 2HG LYS 20 11.948 -6.940 1.854 156 HD2 LYS 20 1HD LYS 20 10.055 -6.004 3.101 157 HD3 LYS 20 2HD LYS 20 10.084 -4.540 2.117 158 HE2 LYS 20 1HE LYS 20 8.265 -5.974 1.389 159 HE3 LYS 20 2HE LYS 20 9.464 -5.806 0.107 160 HZ1 LYS 20 1HZ LYS 20 9.259 -8.160 1.921 161 HZ2 LYS 20 2HZ LYS 20 10.299 -8.018 0.666 162 HZ3 LYS 20 3HZ LYS 20 8.692 -8.109 0.393 163 H LEU 21 H LEU 21 15.269 -7.441 1.313 164 HA LEU 21 HA LEU 21 15.829 -6.105 -1.252 165 HB2 LEU 21 1HB LEU 21 16.175 -8.952 -0.243 166 HB3 LEU 21 2HB LEU 21 16.551 -8.470 -1.893 167 HG LEU 21 HG LEU 21 17.856 -7.140 0.520 168 HD11 LEU 21 1HD1 LEU 21 19.798 -8.593 0.093 169 HD12 LEU 21 2HD1 LEU 21 18.878 -9.474 -1.150 170 HD13 LEU 21 3HD1 LEU 21 18.378 -9.544 0.555 171 HD21 LEU 21 1HD2 LEU 21 19.563 -6.478 -1.121 172 HD22 LEU 21 2HD2 LEU 21 17.976 -5.896 -1.642 173 HD23 LEU 21 3HD2 LEU 21 18.685 -7.325 -2.414 174 H MET 22 H MET 22 14.466 -6.045 -2.949 175 HA MET 22 HA MET 22 12.606 -8.223 -3.465 176 HB2 MET 22 1HB MET 22 10.562 -7.112 -3.327 177 HB3 MET 22 2HB MET 22 11.360 -6.735 -1.809 178 HG2 MET 22 1HG MET 22 11.940 -4.515 -2.603 179 HG3 MET 22 2HG MET 22 11.217 -4.838 -4.185 180 HE1 MET 22 1HE MET 22 8.725 -4.780 -4.757 181 HE2 MET 22 2HE MET 22 8.463 -6.256 -3.796 182 HE3 MET 22 3HE MET 22 7.407 -4.848 -3.564 183 H GLU 23 H GLU 23 11.107 -7.489 -5.427 184 HA GLU 23 HA GLU 23 12.851 -6.186 -7.483 185 HB2 GLU 23 1HB GLU 23 10.957 -8.541 -7.654 186 HB3 GLU 23 2HB GLU 23 11.434 -7.607 -9.078 187 HG2 GLU 23 1HG GLU 23 13.789 -8.044 -8.675 188 HG3 GLU 23 2HG GLU 23 13.420 -8.923 -7.187 189 H ILE 24 H ILE 24 12.130 -4.463 -8.433 190 HA ILE 24 HA ILE 24 9.260 -3.641 -8.234 191 HB ILE 24 HB ILE 24 11.816 -2.087 -8.734 192 HG12 ILE 24 1HG1 ILE 24 9.596 -1.996 -6.645 193 HG13 ILE 24 2HG1 ILE 24 11.247 -2.548 -6.406 194 HG21 ILE 24 1HG2 ILE 24 8.978 -1.012 -9.035 195 HG22 ILE 24 2HG2 ILE 24 10.480 -0.074 -9.140 196 HG23 ILE 24 3HG2 ILE 24 10.124 -1.264 -10.372 197 HD11 ILE 24 1HD1 ILE 24 12.032 -0.197 -6.897 198 HD12 ILE 24 2HD1 ILE 24 10.324 0.310 -6.868 199 HD13 ILE 24 3HD1 ILE 24 11.064 -0.388 -5.422 200 H ASP 25 H ASP 25 8.113 -4.413 -9.844 201 HA ASP 25 HA ASP 25 9.218 -4.679 -12.589 202 HB2 ASP 25 1HB ASP 25 7.766 -6.461 -11.712 203 HB3 ASP 25 2HB ASP 25 6.479 -5.293 -11.429 204 H GLN 26 H GLN 26 9.232 -2.935 -13.873 205 HA GLN 26 HA GLN 26 7.972 -0.483 -13.068 206 HB2 GLN 26 1HB GLN 26 9.298 -1.210 -15.679 207 HB3 GLN 26 2HB GLN 26 8.826 0.419 -15.212 208 HG2 GLN 26 1HG GLN 26 10.833 -1.256 -13.620 209 HG3 GLN 26 2HG GLN 26 11.261 -0.151 -14.909 210 HE21 GLN 26 1HE2 GLN 26 12.596 1.018 -13.332 211 HE22 GLN 26 2HE2 GLN 26 11.794 2.175 -12.277 212 H LYS 27 H LYS 27 6.605 -3.155 -14.850 213 HA LYS 27 HA LYS 27 4.468 -1.596 -16.083 214 HB2 LYS 27 1HB LYS 27 5.460 -3.687 -17.001 215 HB3 LYS 27 2HB LYS 27 4.938 -4.562 -15.563 216 HG2 LYS 27 1HG LYS 27 3.540 -5.053 -17.383 217 HG3 LYS 27 2HG LYS 27 2.604 -4.228 -16.132 218 HD2 LYS 27 1HD LYS 27 2.684 -2.120 -17.453 219 HD3 LYS 27 2HD LYS 27 3.679 -2.929 -18.686 220 HE2 LYS 27 1HE LYS 27 1.834 -4.547 -19.095 221 HE3 LYS 27 2HE LYS 27 0.851 -3.740 -17.866 222 HZ1 LYS 27 1HZ LYS 27 0.909 -1.724 -19.238 223 HZ2 LYS 27 2HZ LYS 27 0.290 -2.965 -20.098 224 HZ3 LYS 27 3HZ LYS 27 1.819 -2.469 -20.374 225 H LYS 28 H LYS 28 4.960 -3.204 -12.960 226 HA LYS 28 HA LYS 28 2.108 -3.296 -12.251 227 HB2 LYS 28 1HB LYS 28 4.686 -3.816 -10.724 228 HB3 LYS 28 2HB LYS 28 3.126 -3.702 -9.899 229 HG2 LYS 28 1HG LYS 28 2.215 -5.516 -11.309 230 HG3 LYS 28 2HG LYS 28 3.757 -5.631 -12.166 231 HD2 LYS 28 1HD LYS 28 3.670 -7.404 -10.550 232 HD3 LYS 28 2HD LYS 28 4.881 -6.236 -10.003 233 HE2 LYS 28 1HE LYS 28 3.246 -5.275 -8.401 234 HE3 LYS 28 2HE LYS 28 2.005 -6.393 -8.987 235 HZ1 LYS 28 1HZ LYS 28 3.056 -7.211 -6.952 236 HZ2 LYS 28 2HZ LYS 28 4.527 -7.192 -7.629 237 HZ3 LYS 28 3HZ LYS 28 3.391 -8.236 -8.185 238 HA PRO 29 HA PRO 29 1.796 0.925 -10.835 239 HB2 PRO 29 1HB PRO 29 -0.280 0.740 -9.042 240 HB3 PRO 29 2HB PRO 29 -0.512 0.623 -10.805 241 HG2 PRO 29 1HG PRO 29 -0.316 -1.622 -8.811 242 HG3 PRO 29 2HG PRO 29 -1.479 -1.438 -10.154 243 HD2 PRO 29 1HD PRO 29 0.755 -3.004 -10.314 244 HD3 PRO 29 2HD PRO 29 0.091 -2.143 -11.728 245 H LEU 30 H LEU 30 2.683 2.171 -9.249 246 HA LEU 30 HA LEU 30 4.325 0.967 -7.250 247 HB2 LEU 30 1HB LEU 30 3.223 3.775 -7.607 248 HB3 LEU 30 2HB LEU 30 4.341 3.371 -6.305 249 HG LEU 30 HG LEU 30 5.037 2.802 -9.211 250 HD11 LEU 30 1HD1 LEU 30 6.261 4.936 -9.179 251 HD12 LEU 30 2HD1 LEU 30 5.554 5.315 -7.587 252 HD13 LEU 30 3HD1 LEU 30 4.510 5.153 -9.022 253 HD21 LEU 30 1HD2 LEU 30 6.752 3.233 -6.723 254 HD22 LEU 30 2HD2 LEU 30 7.350 2.917 -8.367 255 HD23 LEU 30 3HD2 LEU 30 6.442 1.669 -7.507 256 H SER 31 H SER 31 0.927 2.099 -7.001 257 HA SER 31 HA SER 31 0.650 1.957 -4.199 258 HB2 SER 31 1HB SER 31 -1.411 1.123 -6.279 259 HB3 SER 31 2HB SER 31 -1.738 1.653 -4.621 260 HG SER 31 HG SER 31 -1.014 3.711 -5.155 261 H ALA 32 H ALA 32 0.429 -0.730 -6.589 262 HA ALA 32 HA ALA 32 -0.210 -2.748 -4.585 263 HB1 ALA 32 1HB ALA 32 0.221 -4.318 -6.442 264 HB2 ALA 32 2HB ALA 32 -0.824 -2.988 -6.973 265 HB3 ALA 32 3HB ALA 32 0.897 -3.004 -7.427 266 H ILE 33 H ILE 33 2.808 -1.646 -6.168 267 HA ILE 33 HA ILE 33 4.549 -3.577 -4.937 268 HB ILE 33 HB ILE 33 5.109 -0.786 -6.005 269 HG12 ILE 33 1HG1 ILE 33 5.567 -3.518 -7.290 270 HG13 ILE 33 2HG1 ILE 33 4.178 -2.504 -7.638 271 HG21 ILE 33 1HG2 ILE 33 6.911 -1.520 -4.432 272 HG22 ILE 33 2HG2 ILE 33 7.107 -3.008 -5.380 273 HG23 ILE 33 3HG2 ILE 33 7.472 -1.416 -6.085 274 HD11 ILE 33 1HD1 ILE 33 5.751 -2.191 -9.395 275 HD12 ILE 33 2HD1 ILE 33 5.724 -0.697 -8.440 276 HD13 ILE 33 3HD1 ILE 33 7.066 -1.860 -8.265 277 H ILE 34 H ILE 34 3.654 -0.244 -3.903 278 HA ILE 34 HA ILE 34 5.199 -0.204 -1.511 279 HB ILE 34 HB ILE 34 2.709 1.280 -2.393 280 HG12 ILE 34 1HG1 ILE 34 5.518 2.376 -1.932 281 HG13 ILE 34 2HG1 ILE 34 5.103 1.604 -3.452 282 HG21 ILE 34 1HG2 ILE 34 4.337 1.750 0.146 283 HG22 ILE 34 2HG2 ILE 34 3.115 2.862 -0.508 284 HG23 ILE 34 3HG2 ILE 34 2.625 1.280 0.057 285 HD11 ILE 34 1HD1 ILE 34 4.864 4.011 -3.661 286 HD12 ILE 34 2HD1 ILE 34 3.279 3.235 -3.831 287 HD13 ILE 34 3HD1 ILE 34 3.701 4.054 -2.324 288 H LYS 35 H LYS 35 1.856 -1.468 -2.073 289 HA LYS 35 HA LYS 35 1.412 -2.209 0.662 290 HB2 LYS 35 1HB LYS 35 -0.319 -2.142 -1.164 291 HB3 LYS 35 2HB LYS 35 0.336 -3.642 -1.806 292 HG2 LYS 35 1HG LYS 35 -0.124 -4.796 0.334 293 HG3 LYS 35 2HG LYS 35 -0.664 -3.264 1.042 294 HD2 LYS 35 1HD LYS 35 -2.486 -3.179 -0.715 295 HD3 LYS 35 2HD LYS 35 -1.952 -4.756 -1.287 296 HE2 LYS 35 1HE LYS 35 -3.902 -4.979 0.170 297 HE3 LYS 35 2HE LYS 35 -2.500 -5.791 0.868 298 HZ1 LYS 35 1HZ LYS 35 -3.795 -4.416 2.477 299 HZ2 LYS 35 2HZ LYS 35 -3.357 -3.056 1.673 300 HZ3 LYS 35 3HZ LYS 35 -2.228 -3.973 2.404 301 H GLU 36 H GLU 36 3.054 -3.997 -1.990 302 HA GLU 36 HA GLU 36 3.650 -6.329 -0.423 303 HB2 GLU 36 1HB GLU 36 4.714 -5.125 -2.998 304 HB3 GLU 36 2HB GLU 36 5.360 -6.598 -2.316 305 HG2 GLU 36 1HG GLU 36 3.263 -7.749 -2.526 306 HG3 GLU 36 2HG GLU 36 2.390 -6.253 -2.854 307 H VAL 37 H VAL 37 5.336 -3.181 -0.743 308 HA VAL 37 HA VAL 37 7.660 -3.999 0.785 309 HB VAL 37 HB VAL 37 6.510 -1.185 0.736 310 HG11 VAL 37 1HG1 VAL 37 8.220 -1.693 2.483 311 HG12 VAL 37 2HG1 VAL 37 9.324 -2.260 1.228 312 HG13 VAL 37 3HG1 VAL 37 8.823 -0.557 1.269 313 HG21 VAL 37 1HG2 VAL 37 8.601 -2.360 -1.124 314 HG22 VAL 37 2HG2 VAL 37 6.984 -1.850 -1.602 315 HG23 VAL 37 3HG2 VAL 37 8.121 -0.654 -1.017 316 H CYS 38 H CYS 38 4.643 -2.278 1.732 317 HA CYS 38 HA CYS 38 5.230 -2.073 4.485 318 HB2 CYS 38 1HB CYS 38 2.531 -2.136 3.057 319 HB3 CYS 38 2HB CYS 38 2.770 -1.636 4.719 320 HG CYS 38 HG CYS 38 3.941 -0.325 1.922 321 H ASP 39 H ASP 39 3.395 -4.658 2.783 322 HA ASP 39 HA ASP 39 2.682 -6.199 5.050 323 HB2 ASP 39 1HB ASP 39 1.822 -6.466 2.730 324 HB3 ASP 39 2HB ASP 39 3.389 -7.108 2.229 325 H GLY 40 H GLY 40 5.800 -5.972 3.378 326 HA2 GLY 40 1HA GLY 40 7.102 -8.291 4.442 327 HA3 GLY 40 2HA GLY 40 7.874 -6.809 3.854 328 H TRP 41 H TRP 41 6.395 -5.155 5.900 329 HA TRP 41 HA TRP 41 7.732 -6.012 8.431 330 HB2 TRP 41 1HB TRP 41 7.296 -3.235 7.298 331 HB3 TRP 41 2HB TRP 41 7.878 -3.567 8.921 332 HD1 TRP 41 HD TRP 41 10.127 -5.485 8.724 333 HE1 TRP 41 1HE TRP 41 12.289 -5.068 7.401 334 HE3 TRP 41 3HE TRP 41 8.414 -1.938 5.444 335 HZ2 TRP 41 2HZ TRP 41 13.186 -3.362 5.280 336 HZ3 TRP 41 3HZ TRP 41 9.978 -0.915 3.794 337 HH2 TRP 41 HH TRP 41 12.338 -1.617 3.702 338 H SER 42 H SER 42 4.877 -6.382 7.246 339 HA SER 42 HA SER 42 2.736 -6.399 7.901 340 HB2 SER 42 1HB SER 42 3.846 -7.795 9.648 341 HB3 SER 42 2HB SER 42 3.794 -6.403 10.740 342 HG SER 42 HG SER 42 1.529 -6.415 10.560 343 H LEU 43 H LEU 43 3.778 -3.763 7.397 344 HA LEU 43 HA LEU 43 2.614 -1.874 9.292 345 HB2 LEU 43 1HB LEU 43 3.877 -1.645 6.551 346 HB3 LEU 43 2HB LEU 43 3.204 -0.250 7.347 347 HG LEU 43 HG LEU 43 5.379 -2.024 8.572 348 HD11 LEU 43 1HD1 LEU 43 6.158 -1.007 6.467 349 HD12 LEU 43 2HD1 LEU 43 6.980 -0.322 7.870 350 HD13 LEU 43 3HD1 LEU 43 5.689 0.600 7.070 351 HD21 LEU 43 1HD2 LEU 43 4.456 0.803 9.257 352 HD22 LEU 43 2HD2 LEU 43 5.825 -0.053 9.999 353 HD23 LEU 43 3HD2 LEU 43 4.183 -0.651 10.244 354 H ALA 44 H ALA 44 0.630 -1.135 9.376 355 HA ALA 44 HA ALA 44 -1.433 -1.875 7.447 356 HB1 ALA 44 1HB ALA 44 -2.915 -0.721 9.044 357 HB2 ALA 44 2HB ALA 44 -1.842 -1.852 9.888 358 HB3 ALA 44 3HB ALA 44 -1.505 -0.105 9.932 359 H ASN 45 H ASN 45 -2.936 -0.226 6.616 360 HA ASN 45 HA ASN 45 -3.424 1.481 5.205 361 HB2 ASN 45 1HB ASN 45 -1.926 3.132 7.262 362 HB3 ASN 45 2HB ASN 45 -3.164 3.706 6.154 363 HD21 ASN 45 1HD2 ASN 45 -2.847 3.250 9.284 364 HD22 ASN 45 2HD2 ASN 45 -4.432 2.598 9.675 365 H HIS 46 H HIS 46 -1.626 0.210 3.838 366 HA HIS 46 HA HIS 46 0.834 1.464 3.200 367 HB2 HIS 46 1HB HIS 46 0.873 0.028 1.313 368 HB3 HIS 46 2HB HIS 46 0.091 -0.876 2.604 369 HD2 HIS 46 2HD HIS 46 -0.545 0.756 -0.783 370 HE1 HIS 46 1HE HIS 46 -4.204 -1.173 0.205 371 HE2 HIS 46 2HE HIS 46 -2.948 0.068 -1.618 372 H GLU 47 H GLU 47 -2.404 2.361 2.272 373 HA GLU 47 HA GLU 47 -2.022 3.897 -0.052 374 HB2 GLU 47 1HB GLU 47 -3.843 4.726 2.241 375 HB3 GLU 47 2HB GLU 47 -4.043 5.004 0.510 376 HG2 GLU 47 1HG GLU 47 -4.244 2.435 0.293 377 HG3 GLU 47 2HG GLU 47 -4.335 2.409 2.065 378 H TYR 48 H TYR 48 -1.104 4.659 3.281 379 HA TYR 48 HA TYR 48 -0.681 7.515 2.789 380 HB2 TYR 48 1HB TYR 48 0.308 5.771 5.069 381 HB3 TYR 48 2HB TYR 48 0.242 7.522 5.048 382 HD1 TYR 48 1HD TYR 48 -2.897 6.790 3.664 383 HD2 TYR 48 2HD TYR 48 -0.670 6.395 7.348 384 HE1 TYR 48 1HE TYR 48 -5.001 6.512 4.897 385 HE2 TYR 48 2HE TYR 48 -2.800 6.246 8.608 386 HH TYR 48 HH TYR 48 -5.994 6.194 6.963 387 H PHE 49 H PHE 49 1.174 4.677 2.131 388 HA PHE 49 HA PHE 49 3.772 5.945 2.692 389 HB2 PHE 49 1HB PHE 49 2.902 3.126 2.086 390 HB3 PHE 49 2HB PHE 49 4.583 3.609 1.999 391 HD1 PHE 49 1HD PHE 49 1.676 3.284 4.313 392 HD2 PHE 49 2HD PHE 49 5.907 4.040 3.949 393 HE1 PHE 49 1HE PHE 49 1.927 3.041 6.767 394 HE2 PHE 49 2HE PHE 49 6.140 3.851 6.411 395 HZ PHE 49 HZ PHE 49 4.163 3.333 7.824 396 H ALA 50 H ALA 50 5.508 5.860 1.327 397 HA ALA 50 HA ALA 50 5.198 5.527 -1.574 398 HB1 ALA 50 1HB ALA 50 6.317 7.719 -1.974 399 HB2 ALA 50 2HB ALA 50 4.722 7.918 -1.227 400 HB3 ALA 50 3HB ALA 50 6.194 8.091 -0.240 401 H LEU 51 H LEU 51 7.188 5.119 -2.596 402 HA LEU 51 HA LEU 51 9.458 4.323 -0.850 403 HB2 LEU 51 1HB LEU 51 8.715 3.911 -3.755 404 HB3 LEU 51 2HB LEU 51 10.392 3.738 -3.248 405 HG LEU 51 HG LEU 51 8.129 2.200 -1.905 406 HD11 LEU 51 1HD1 LEU 51 9.909 1.350 -4.223 407 HD12 LEU 51 2HD1 LEU 51 8.153 1.617 -4.286 408 HD13 LEU 51 3HD1 LEU 51 8.809 0.284 -3.321 409 HD21 LEU 51 1HD2 LEU 51 11.150 1.750 -2.040 410 HD22 LEU 51 2HD2 LEU 51 9.981 0.693 -1.236 411 HD23 LEU 51 3HD2 LEU 51 10.251 2.319 -0.615 412 H GLN 52 H GLN 52 11.549 5.220 -1.231 413 HA GLN 52 HA GLN 52 11.732 7.832 -2.631 414 HB2 GLN 52 1HB GLN 52 10.886 8.245 -0.348 415 HB3 GLN 52 2HB GLN 52 12.239 7.336 0.331 416 HG2 GLN 52 1HG GLN 52 13.806 9.077 -0.573 417 HG3 GLN 52 2HG GLN 52 12.407 9.944 -1.222 418 HE21 GLN 52 1HE2 GLN 52 12.459 11.810 0.044 419 HE22 GLN 52 2HE2 GLN 52 12.260 11.756 1.794 420 H HIS 53 H HIS 53 13.840 8.398 -3.219 421 HA HIS 53 HA HIS 53 15.862 6.275 -3.346 422 HB2 HIS 53 1HB HIS 53 15.772 9.175 -4.179 423 HB3 HIS 53 2HB HIS 53 17.304 8.309 -4.111 424 HD2 HIS 53 2HD HIS 53 14.309 8.755 -6.346 425 HE1 HIS 53 1HE HIS 53 16.574 5.590 -8.083 426 HE2 HIS 53 2HE HIS 53 14.657 7.227 -8.460 427 H ALA 54 H ALA 54 17.422 5.779 -1.931 428 HA ALA 54 HA ALA 54 17.574 7.293 0.590 429 HB1 ALA 54 1HB ALA 54 17.290 4.827 0.533 430 HB2 ALA 54 2HB ALA 54 18.881 4.690 -0.261 431 HB3 ALA 54 3HB ALA 54 18.759 5.320 1.392 432 H ASP 55 H ASP 55 19.268 7.553 -2.310 433 HA ASP 55 HA ASP 55 21.603 8.821 -1.030 434 HB2 ASP 55 1HB ASP 55 22.069 6.338 -1.420 435 HB3 ASP 55 2HB ASP 55 21.941 6.663 -3.148 436 H SER 56 H SER 56 22.955 9.943 -2.614 437 HA SER 56 HA SER 56 23.265 11.690 -3.975 438 HB2 SER 56 1HB SER 56 21.329 10.353 -5.882 439 HB3 SER 56 2HB SER 56 22.457 11.657 -6.274 440 HG SER 56 HG SER 56 24.184 10.287 -5.843 441 H SER 57 H SER 57 19.727 11.102 -3.869 442 HA SER 57 HA SER 57 19.305 13.662 -2.602 443 HB2 SER 57 1HB SER 57 19.385 14.416 -4.979 444 HB3 SER 57 2HB SER 57 18.071 13.285 -5.353 445 HG SER 57 HG SER 57 17.253 15.362 -4.931 446 H ASN 58 H ASN 58 17.222 13.833 -1.689 447 HA ASN 58 HA ASN 58 16.045 11.245 -1.023 448 HB2 ASN 58 1HB ASN 58 15.417 14.036 0.008 449 HB3 ASN 58 2HB ASN 58 14.879 12.523 0.729 450 HD21 ASN 58 1HD2 ASN 58 16.983 14.893 1.345 451 HD22 ASN 58 2HD2 ASN 58 18.273 13.949 2.074 452 H PHE 59 H PHE 59 15.474 11.874 -3.749 453 HA PHE 59 HA PHE 59 12.892 13.055 -4.136 454 HB2 PHE 59 1HB PHE 59 14.295 10.941 -5.803 455 HB3 PHE 59 2HB PHE 59 12.938 11.921 -6.327 456 HD1 PHE 59 1HD PHE 59 16.034 11.468 -7.242 457 HD2 PHE 59 2HD PHE 59 13.719 14.679 -5.523 458 HE1 PHE 59 1HE PHE 59 17.540 13.132 -8.310 459 HE2 PHE 59 2HE PHE 59 15.228 16.334 -6.585 460 HZ PHE 59 HZ PHE 59 17.140 15.566 -7.982 461 H TYR 60 H TYR 60 10.882 12.315 -3.747 462 HA TYR 60 HA TYR 60 10.310 9.588 -2.893 463 HB2 TYR 60 1HB TYR 60 8.493 11.878 -3.716 464 HB3 TYR 60 2HB TYR 60 7.932 10.322 -3.127 465 HD1 TYR 60 1HD TYR 60 9.457 13.536 -2.162 466 HD2 TYR 60 2HD TYR 60 8.246 9.627 -0.787 467 HE1 TYR 60 1HE TYR 60 9.596 14.318 0.201 468 HE2 TYR 60 2HE TYR 60 8.342 10.433 1.569 469 HH TYR 60 HH TYR 60 8.830 12.170 2.965 470 H ILE 61 H ILE 61 9.341 7.948 -4.080 471 HA ILE 61 HA ILE 61 9.714 8.005 -7.000 472 HB ILE 61 HB ILE 61 8.825 5.784 -5.140 473 HG12 ILE 61 1HG1 ILE 61 11.096 6.344 -4.569 474 HG13 ILE 61 2HG1 ILE 61 11.092 4.841 -5.460 475 HG21 ILE 61 1HG2 ILE 61 8.033 5.341 -7.393 476 HG22 ILE 61 2HG2 ILE 61 9.632 5.679 -8.073 477 HG23 ILE 61 3HG2 ILE 61 9.371 4.265 -7.024 478 HD11 ILE 61 1HD1 ILE 61 12.963 6.162 -6.161 479 HD12 ILE 61 2HD1 ILE 61 11.828 6.142 -7.519 480 HD13 ILE 61 3HD1 ILE 61 11.953 7.582 -6.482 481 H THR 62 H THR 62 8.200 8.157 -8.463 482 HA THR 62 HA THR 62 5.301 7.860 -7.881 483 HB THR 62 HB THR 62 4.758 9.941 -8.941 484 HG1 THR 62 1HG THR 62 7.542 10.309 -9.248 485 HG21 THR 62 1HG2 THR 62 6.975 10.632 -6.973 486 HG22 THR 62 2HG2 THR 62 5.317 10.167 -6.524 487 HG23 THR 62 3HG2 THR 62 5.603 11.644 -7.462 488 H GLU 63 H GLU 63 4.024 7.845 -9.955 489 HA GLU 63 HA GLU 63 5.176 6.136 -11.944 490 HB2 GLU 63 1HB GLU 63 2.698 7.888 -12.070 491 HB3 GLU 63 2HB GLU 63 3.074 6.591 -13.196 492 HG2 GLU 63 1HG GLU 63 2.526 6.254 -10.212 493 HG3 GLU 63 2HG GLU 63 1.389 5.944 -11.510 494 H LYS 64 H LYS 64 5.636 9.487 -11.543 495 HA LYS 64 HA LYS 64 6.244 10.051 -14.392 496 HB2 LYS 64 1HB LYS 64 6.360 11.807 -11.903 497 HB3 LYS 64 2HB LYS 64 6.679 12.341 -13.556 498 HG2 LYS 64 1HG LYS 64 4.364 11.705 -14.215 499 HG3 LYS 64 2HG LYS 64 4.021 11.237 -12.536 500 HD2 LYS 64 1HD LYS 64 4.505 13.552 -11.786 501 HD3 LYS 64 2HD LYS 64 4.838 14.026 -13.467 502 HE2 LYS 64 1HE LYS 64 2.524 13.372 -14.102 503 HE3 LYS 64 2HE LYS 64 2.192 12.910 -12.429 504 HZ1 LYS 64 1HZ LYS 64 2.885 15.657 -13.331 505 HZ2 LYS 64 2HZ LYS 64 2.579 15.232 -11.783 506 HZ3 LYS 64 3HZ LYS 64 1.394 15.154 -12.902 507 H ASN 65 H ASN 65 8.027 9.096 -11.526 508 HA ASN 65 HA ASN 65 10.584 9.589 -12.998 509 HB2 ASN 65 1HB ASN 65 11.620 10.593 -11.126 510 HB3 ASN 65 2HB ASN 65 10.106 11.447 -11.389 511 HD21 ASN 65 1HD2 ASN 65 11.270 11.809 -8.959 512 HD22 ASN 65 2HD2 ASN 65 10.391 10.873 -7.740 513 H ARG 66 H ARG 66 8.818 7.178 -11.436 514 HA ARG 66 HA ARG 66 10.731 5.573 -10.183 515 HB2 ARG 66 1HB ARG 66 9.275 3.693 -10.718 516 HB3 ARG 66 2HB ARG 66 8.332 5.097 -10.235 517 HG2 ARG 66 1HG ARG 66 7.888 5.605 -12.672 518 HG3 ARG 66 2HG ARG 66 8.756 4.128 -13.111 519 HD2 ARG 66 1HD ARG 66 6.257 4.280 -11.386 520 HD3 ARG 66 2HD ARG 66 6.310 3.835 -13.100 521 HE ARG 66 HE ARG 66 8.090 2.095 -11.807 522 HH11 ARG 66 1HH1 ARG 66 4.593 2.632 -11.955 523 HH12 ARG 66 2HH1 ARG 66 4.309 0.940 -11.548 524 HH21 ARG 66 1HH2 ARG 66 7.528 0.074 -11.041 525 HH22 ARG 66 2HH2 ARG 66 5.848 -0.413 -11.099 526 H ASN 67 H ASN 67 10.606 6.208 -13.592 527 HA ASN 67 HA ASN 67 12.125 4.013 -14.579 528 HB2 ASN 67 1HB ASN 67 12.015 6.894 -15.583 529 HB3 ASN 67 2HB ASN 67 12.523 5.489 -16.512 530 HD21 ASN 67 1HD2 ASN 67 10.922 4.205 -17.512 531 HD22 ASN 67 2HD2 ASN 67 9.211 4.578 -17.365 532 H GLU 68 H GLU 68 13.191 6.715 -12.615 533 HA GLU 68 HA GLU 68 16.021 6.521 -13.295 534 HB2 GLU 68 1HB GLU 68 14.610 7.681 -10.858 535 HB3 GLU 68 2HB GLU 68 16.313 7.887 -11.241 536 HG2 GLU 68 1HG GLU 68 13.949 8.952 -12.833 537 HG3 GLU 68 2HG GLU 68 15.090 9.879 -11.871 538 H ILE 69 H ILE 69 13.955 4.442 -11.446 539 HA ILE 69 HA ILE 69 16.019 3.395 -9.661 540 HB ILE 69 HB ILE 69 13.353 2.214 -10.516 541 HG12 ILE 69 1HG1 ILE 69 14.047 3.711 -7.941 542 HG13 ILE 69 2HG1 ILE 69 13.169 4.425 -9.290 543 HG21 ILE 69 1HG2 ILE 69 15.008 0.530 -9.638 544 HG22 ILE 69 2HG2 ILE 69 15.115 1.476 -8.144 545 HG23 ILE 69 3HG2 ILE 69 13.590 0.701 -8.626 546 HD11 ILE 69 1HD1 ILE 69 11.379 2.705 -9.048 547 HD12 ILE 69 2HD1 ILE 69 12.197 2.116 -7.579 548 HD13 ILE 69 3HD1 ILE 69 11.574 3.761 -7.638 549 H LYS 70 H LYS 70 17.520 1.987 -10.154 550 HA LYS 70 HA LYS 70 17.276 0.195 -12.534 551 HB2 LYS 70 1HB LYS 70 19.652 0.335 -12.892 552 HB3 LYS 70 2HB LYS 70 18.961 1.951 -12.946 553 HG2 LYS 70 1HG LYS 70 19.776 2.455 -10.699 554 HG3 LYS 70 2HG LYS 70 20.355 0.808 -10.472 555 HD2 LYS 70 1HD LYS 70 21.386 2.769 -12.558 556 HD3 LYS 70 2HD LYS 70 22.166 2.436 -11.017 557 HE2 LYS 70 1HE LYS 70 21.709 0.363 -13.217 558 HE3 LYS 70 2HE LYS 70 23.200 1.270 -12.981 559 HZ1 LYS 70 1HZ LYS 70 22.037 -0.614 -10.986 560 HZ2 LYS 70 2HZ LYS 70 23.417 0.249 -10.783 561 HZ3 LYS 70 3HZ LYS 70 23.323 -0.902 -11.937 562 H ASN 71 H ASN 71 18.922 -1.699 -12.303 563 HA ASN 71 HA ASN 71 18.262 -3.271 -10.000 564 HB2 ASN 71 1HB ASN 71 19.875 -4.857 -10.853 565 HB3 ASN 71 2HB ASN 71 18.887 -4.258 -12.177 566 HD21 ASN 71 1HD2 ASN 71 21.781 -5.400 -11.892 567 HD22 ASN 71 2HD2 ASN 71 22.703 -4.263 -12.863 568 H GLY 72 H GLY 72 19.109 -3.363 -8.026 569 HA2 GLY 72 1HA GLY 72 20.668 -3.244 -6.300 570 HA3 GLY 72 2HA GLY 72 21.856 -2.519 -7.381 571 H THR 73 H THR 73 18.806 -0.851 -7.488 572 HA THR 73 HA THR 73 19.917 1.535 -6.287 573 HB THR 73 HB THR 73 16.996 0.901 -6.831 574 HG1 THR 73 1HG THR 73 18.156 0.835 -8.679 575 HG21 THR 73 1HG2 THR 73 18.406 3.580 -6.449 576 HG22 THR 73 2HG2 THR 73 17.220 2.868 -5.336 577 HG23 THR 73 3HG2 THR 73 16.720 3.352 -6.957 578 H ILE 74 H ILE 74 20.023 2.174 -4.200 579 HA ILE 74 HA ILE 74 18.601 0.652 -2.108 580 HB ILE 74 HB ILE 74 20.444 3.021 -1.735 581 HG12 ILE 74 1HG1 ILE 74 21.159 0.052 -1.536 582 HG13 ILE 74 2HG1 ILE 74 21.617 1.090 -2.884 583 HG21 ILE 74 1HG2 ILE 74 20.531 2.248 0.595 584 HG22 ILE 74 2HG2 ILE 74 18.838 2.417 0.152 585 HG23 ILE 74 3HG2 ILE 74 19.568 0.810 0.196 586 HD11 ILE 74 1HD1 ILE 74 23.499 0.920 -1.438 587 HD12 ILE 74 2HD1 ILE 74 22.869 2.576 -1.349 588 HD13 ILE 74 3HD1 ILE 74 22.560 1.423 -0.023 589 H LEU 75 H LEU 75 16.707 1.219 -1.398 590 HA LEU 75 HA LEU 75 15.612 3.965 -1.831 591 HB2 LEU 75 1HB LEU 75 14.192 1.284 -1.960 592 HB3 LEU 75 2HB LEU 75 13.388 2.847 -2.065 593 HG LEU 75 HG LEU 75 15.380 1.758 -4.100 594 HD11 LEU 75 1HD1 LEU 75 12.364 2.143 -4.263 595 HD12 LEU 75 2HD1 LEU 75 13.195 0.584 -4.062 596 HD13 LEU 75 3HD1 LEU 75 13.429 1.528 -5.543 597 HD21 LEU 75 1HD2 LEU 75 15.453 4.204 -4.091 598 HD22 LEU 75 2HD2 LEU 75 13.676 4.294 -4.103 599 HD23 LEU 75 3HD2 LEU 75 14.557 3.659 -5.508 600 H ARG 76 H ARG 76 13.701 4.335 -0.371 601 HA ARG 76 HA ARG 76 13.907 3.165 2.370 602 HB2 ARG 76 1HB ARG 76 15.238 5.200 2.335 603 HB3 ARG 76 2HB ARG 76 13.956 6.095 1.512 604 HG2 ARG 76 1HG ARG 76 12.512 5.945 3.484 605 HG3 ARG 76 2HG ARG 76 13.709 4.918 4.304 606 HD2 ARG 76 1HD ARG 76 15.339 6.788 4.218 607 HD3 ARG 76 2HD ARG 76 14.161 7.797 3.382 608 HE ARG 76 HE ARG 76 14.074 6.888 6.223 609 HH11 ARG 76 1HH1 ARG 76 12.596 9.000 3.789 610 HH12 ARG 76 2HH1 ARG 76 11.670 9.828 5.004 611 HH21 ARG 76 1HH2 ARG 76 12.861 8.027 7.665 612 HH22 ARG 76 2HH2 ARG 76 11.833 9.317 7.119 613 H LEU 77 H LEU 77 11.972 2.763 3.299 614 HA LEU 77 HA LEU 77 9.476 3.531 1.885 615 HB2 LEU 77 1HB LEU 77 9.623 1.261 2.714 616 HB3 LEU 77 2HB LEU 77 10.002 1.824 4.345 617 HG LEU 77 HG LEU 77 7.701 2.889 4.377 618 HD11 LEU 77 1HD1 LEU 77 7.236 3.043 1.958 619 HD12 LEU 77 2HD1 LEU 77 6.067 1.927 2.683 620 HD13 LEU 77 3HD1 LEU 77 7.439 1.289 1.777 621 HD21 LEU 77 1HD2 LEU 77 6.497 0.814 4.747 622 HD22 LEU 77 2HD2 LEU 77 8.132 0.718 5.430 623 HD23 LEU 77 3HD2 LEU 77 7.757 -0.098 3.898 624 H THR 78 H THR 78 8.145 5.157 2.543 625 HA THR 78 HA THR 78 8.436 6.465 5.171 626 HB THR 78 HB THR 78 10.270 7.455 3.985 627 HG1 THR 78 1HG THR 78 9.092 8.923 5.163 628 HG21 THR 78 1HG2 THR 78 8.357 8.064 1.700 629 HG22 THR 78 2HG2 THR 78 9.792 7.020 1.652 630 HG23 THR 78 3HG2 THR 78 9.987 8.751 1.885 631 H THR 79 H THR 79 6.643 7.915 5.660 632 HA THR 79 HA THR 79 4.225 7.447 4.068 633 HB THR 79 HB THR 79 3.184 9.123 5.608 634 HG1 THR 79 1HG THR 79 5.085 10.148 6.325 635 HG21 THR 79 1HG2 THR 79 4.447 6.677 6.897 636 HG22 THR 79 2HG2 THR 79 2.945 6.705 5.943 637 HG23 THR 79 3HG2 THR 79 3.022 7.570 7.481 638 H SER 80 H SER 80 3.333 8.720 2.585 639 HA SER 80 HA SER 80 4.966 10.459 1.068 640 HB2 SER 80 1HB SER 80 3.212 9.201 0.028 641 HB3 SER 80 2HB SER 80 1.977 9.925 1.066 642 HG SER 80 HG SER 80 2.190 10.809 -1.125 643 HA PRO 81 HA PRO 81 4.167 14.452 3.051 644 HB2 PRO 81 1HB PRO 81 4.799 16.166 1.014 645 HB3 PRO 81 2HB PRO 81 6.025 15.237 1.925 646 HG2 PRO 81 1HG PRO 81 4.763 14.526 -0.744 647 HG3 PRO 81 2HG PRO 81 6.506 14.565 -0.315 648 HD2 PRO 81 1HD PRO 81 5.087 12.257 -0.277 649 HD3 PRO 81 2HD PRO 81 6.327 12.583 0.963 650 H ALA 82 H ALA 82 2.460 13.165 0.332 651 HA ALA 82 HA ALA 82 0.271 15.179 0.531 652 HB1 ALA 82 1HB ALA 82 0.930 13.157 -1.643 653 HB2 ALA 82 2HB ALA 82 -0.342 14.399 -1.703 654 HB3 ALA 82 3HB ALA 82 1.364 14.884 -1.672 655 H GLN 83 H GLN 83 0.886 12.483 2.193 656 HA GLN 83 HA GLN 83 -1.210 10.683 1.611 657 HB2 GLN 83 1HB GLN 83 -0.733 9.626 3.693 658 HB3 GLN 83 2HB GLN 83 0.760 10.143 2.944 659 HG2 GLN 83 1HG GLN 83 1.152 10.740 5.114 660 HG3 GLN 83 2HG GLN 83 0.580 12.265 4.439 661 HE21 GLN 83 1HE2 GLN 83 -1.374 9.387 5.621 662 HE22 GLN 83 2HE2 GLN 83 -2.171 10.332 6.863 663 H ASN 84 H ASN 84 -3.176 10.186 2.629 664 HA ASN 84 HA ASN 84 -4.447 11.949 4.549 665 HB2 ASN 84 1HB ASN 84 -4.785 12.526 1.725 666 HB3 ASN 84 2HB ASN 84 -6.291 11.820 2.288 667 HD21 ASN 84 1HD2 ASN 84 -3.843 14.138 3.594 668 HD22 ASN 84 2HD2 ASN 84 -5.053 15.336 4.067 669 H ALA 85 H ALA 85 -6.597 11.139 5.181 670 HA ALA 85 HA ALA 85 -6.802 8.259 5.282 671 HB1 ALA 85 1HB ALA 85 -8.943 8.726 6.416 672 HB2 ALA 85 2HB ALA 85 -7.635 9.723 7.080 673 HB3 ALA 85 3HB ALA 85 -8.823 10.439 5.964 674 H GLN 86 H GLN 86 -8.270 6.880 4.234 675 HA GLN 86 HA GLN 86 -8.847 7.518 1.494 676 HB2 GLN 86 1HB GLN 86 -8.173 5.309 2.171 677 HB3 GLN 86 2HB GLN 86 -9.553 5.144 3.253 678 HG2 GLN 86 1HG GLN 86 -9.763 3.886 1.105 679 HG3 GLN 86 2HG GLN 86 -11.099 4.989 1.441 680 HE21 GLN 86 1HE2 GLN 86 -7.898 5.031 -0.336 681 HE22 GLN 86 2HE2 GLN 86 -8.565 5.980 -1.669 682 H GLN 87 H GLN 87 -10.549 8.485 0.625 683 HA GLN 87 HA GLN 87 -12.721 9.365 2.380 684 HB2 GLN 87 1HB GLN 87 -11.996 10.180 -0.460 685 HB3 GLN 87 2HB GLN 87 -13.184 10.968 0.588 686 HG2 GLN 87 1HG GLN 87 -11.323 11.414 2.250 687 HG3 GLN 87 2HG GLN 87 -10.174 10.817 1.052 688 HE21 GLN 87 1HE2 GLN 87 -9.552 13.255 1.799 689 HE22 GLN 87 2HE2 GLN 87 -10.098 14.458 0.639 690 H LEU 88 H LEU 88 -12.466 6.935 -0.031 691 HA LEU 88 HA LEU 88 -15.434 6.594 -0.070 692 HB2 LEU 88 1HB LEU 88 -14.787 8.049 -1.959 693 HB3 LEU 88 2HB LEU 88 -13.720 6.778 -2.556 694 HG LEU 88 HG LEU 88 -15.694 5.282 -2.880 695 HD11 LEU 88 1HD1 LEU 88 -17.311 7.715 -2.004 696 HD12 LEU 88 2HD1 LEU 88 -17.268 6.125 -1.205 697 HD13 LEU 88 3HD1 LEU 88 -17.979 6.278 -2.810 698 HD21 LEU 88 1HD2 LEU 88 -14.873 6.751 -4.685 699 HD22 LEU 88 2HD2 LEU 88 -15.980 8.031 -4.141 700 HD23 LEU 88 3HD2 LEU 88 -16.627 6.504 -4.788 701 H HIS 89 H HIS 89 -12.351 5.122 -1.165 702 HA HIS 89 HA HIS 89 -13.586 2.448 -1.299 703 HB2 HIS 89 1HB HIS 89 -10.747 3.354 -1.887 704 HB3 HIS 89 2HB HIS 89 -11.439 1.778 -2.261 705 HD2 HIS 89 2HD HIS 89 -14.273 3.585 -3.297 706 HE1 HIS 89 1HE HIS 89 -11.686 4.137 -6.640 707 HE2 HIS 89 2HE HIS 89 -14.096 4.278 -5.832 708 H GLU 90 H GLU 90 -13.724 3.339 1.280 709 HA GLU 90 HA GLU 90 -11.422 2.648 2.878 710 HB2 GLU 90 1HB GLU 90 -13.028 4.495 3.325 711 HB3 GLU 90 2HB GLU 90 -14.248 3.294 3.769 712 HG2 GLU 90 1HG GLU 90 -12.744 2.493 5.607 713 HG3 GLU 90 2HG GLU 90 -11.511 3.639 5.083 714 H ARG 91 H ARG 91 -11.203 0.461 2.023 715 HA ARG 91 HA ARG 91 -11.057 -1.761 2.348 716 HB2 ARG 91 1HB ARG 91 -10.393 -0.542 4.584 717 HB3 ARG 91 2HB ARG 91 -11.818 -1.352 5.236 718 HG2 ARG 91 1HG ARG 91 -10.798 -3.551 4.415 719 HG3 ARG 91 2HG ARG 91 -9.383 -2.634 3.902 720 HD2 ARG 91 1HD ARG 91 -8.897 -3.620 6.054 721 HD3 ARG 91 2HD ARG 91 -9.025 -1.877 6.244 722 HE ARG 91 HE ARG 91 -10.925 -2.126 7.563 723 HH11 ARG 91 1HH1 ARG 91 -10.204 -5.280 6.210 724 HH12 ARG 91 2HH1 ARG 91 -11.360 -6.080 7.238 725 HH21 ARG 91 1HH2 ARG 91 -12.382 -3.211 8.828 726 HH22 ARG 91 2HH2 ARG 91 -12.556 -4.933 8.678 727 H ILE 92 H ILE 92 -13.727 -0.988 1.488 728 HA ILE 92 HA ILE 92 -15.722 -2.565 2.792 729 HB ILE 92 HB ILE 92 -15.676 -1.668 -0.118 730 HG12 ILE 92 1HG1 ILE 92 -17.447 0.004 1.202 731 HG13 ILE 92 2HG1 ILE 92 -16.226 -0.209 2.447 732 HG21 ILE 92 1HG2 ILE 92 -17.991 -2.520 1.677 733 HG22 ILE 92 2HG2 ILE 92 -18.137 -1.863 0.034 734 HG23 ILE 92 3HG2 ILE 92 -17.362 -3.422 0.279 735 HD11 ILE 92 1HD1 ILE 92 -14.489 0.529 0.751 736 HD12 ILE 92 2HD1 ILE 92 -15.806 0.798 -0.409 737 HD13 ILE 92 3HD1 ILE 92 -15.730 1.753 1.087 738 H GLN 93 H GLN 93 -16.193 -4.659 2.754 739 HA GLN 93 HA GLN 93 -14.426 -6.532 1.361 740 HB2 GLN 93 1HB GLN 93 -16.655 -7.002 3.376 741 HB3 GLN 93 2HB GLN 93 -15.507 -8.216 2.804 742 HG2 GLN 93 1HG GLN 93 -14.808 -5.712 4.408 743 HG3 GLN 93 2HG GLN 93 -14.859 -7.361 5.010 744 HE21 GLN 93 1HE2 GLN 93 -12.760 -4.988 3.759 745 HE22 GLN 93 2HE2 GLN 93 -11.448 -6.083 3.323 746 H SER 94 H SER 94 -15.792 -5.270 -0.591 747 HA SER 94 HA SER 94 -18.265 -6.581 -1.370 748 HB2 SER 94 1HB SER 94 -18.009 -5.230 -3.418 749 HB3 SER 94 2HB SER 94 -17.823 -4.262 -1.948 750 HG SER 94 HG SER 94 -16.201 -3.822 -3.543 751 H SER 95 H SER 95 -14.901 -7.354 -1.918 752 HA SER 95 HA SER 95 -15.202 -8.824 -4.373 753 HB2 SER 95 1HB SER 95 -13.046 -7.921 -3.554 754 HB3 SER 95 2HB SER 95 -13.080 -9.081 -2.215 755 HG SER 95 HG SER 95 -12.807 -9.567 -5.004 756 H SER 96 H SER 96 -15.918 -10.833 -4.770 757 HA SER 96 HA SER 96 -17.207 -12.405 -2.743 758 HB2 SER 96 1HB SER 96 -16.530 -13.140 -5.616 759 HB3 SER 96 2HB SER 96 -17.693 -13.969 -4.564 760 HG SER 96 HG SER 96 -18.707 -12.455 -5.968 761 H MET 97 H MET 97 -16.757 -14.416 -1.906 762 HA MET 97 HA MET 97 -14.006 -15.366 -1.760 763 HB2 MET 97 1HB MET 97 -14.872 -17.111 -0.366 764 HB3 MET 97 2HB MET 97 -15.606 -15.585 0.120 765 HG2 MET 97 1HG MET 97 -17.664 -16.179 -1.141 766 HG3 MET 97 2HG MET 97 -16.940 -17.715 -1.615 767 HE1 MET 97 1HE MET 97 -16.902 -19.819 1.625 768 HE2 MET 97 2HE MET 97 -16.651 -19.782 -0.133 769 HE3 MET 97 3HE MET 97 -15.541 -18.907 0.946 770 H ASP 98 H ASP 98 -13.377 -17.605 -2.342 771 HA ASP 98 HA ASP 98 -14.053 -18.316 -5.075 772 HB2 ASP 98 1HB ASP 98 -12.509 -19.852 -2.956 773 HB3 ASP 98 2HB ASP 98 -12.634 -20.301 -4.656 774 H ALA 99 H ALA 99 -15.552 -19.688 -5.843 775 HA ALA 99 HA ALA 99 -17.543 -20.855 -4.072 776 HB1 ALA 99 1HB ALA 99 -17.188 -21.018 -7.095 777 HB2 ALA 99 2HB ALA 99 -18.629 -21.510 -6.183 778 HB3 ALA 99 3HB ALA 99 -18.147 -19.804 -6.214 779 H LYS 100 H LYS 100 -18.066 -23.022 -3.801 780 HA LYS 100 HA LYS 100 -15.924 -25.021 -3.967 781 HB2 LYS 100 1HB LYS 100 -18.851 -25.231 -3.133 782 HB3 LYS 100 2HB LYS 100 -17.682 -26.555 -3.055 783 HG2 LYS 100 1HG LYS 100 -16.257 -25.218 -1.514 784 HG3 LYS 100 2HG LYS 100 -17.463 -23.915 -1.538 785 HD2 LYS 100 1HD LYS 100 -19.164 -25.466 -0.609 786 HD3 LYS 100 2HD LYS 100 -17.956 -26.771 -0.582 787 HE2 LYS 100 1HE LYS 100 -16.537 -25.417 0.946 788 HE3 LYS 100 2HE LYS 100 -17.741 -24.123 0.923 789 HZ1 LYS 100 1HZ LYS 100 -19.330 -25.677 1.931 790 HZ2 LYS 100 2HZ LYS 100 -18.007 -25.544 2.875 791 HZ3 LYS 100 3HZ LYS 100 -18.216 -26.872 1.952 792 H LEU 101 H LEU 101 -15.947 -26.935 -5.153 793 HA LEU 101 HA LEU 101 -17.082 -26.794 -7.844 794 HB2 LEU 101 1HB LEU 101 -15.572 -29.030 -6.439 795 HB3 LEU 101 2HB LEU 101 -15.968 -28.981 -8.154 796 HG LEU 101 HG LEU 101 -14.106 -27.036 -6.713 797 HD11 LEU 101 1HD1 LEU 101 -13.186 -29.312 -6.956 798 HD12 LEU 101 2HD1 LEU 101 -12.337 -28.154 -7.992 799 HD13 LEU 101 3HD1 LEU 101 -13.527 -29.271 -8.700 800 HD21 LEU 101 1HD2 LEU 101 -14.804 -27.290 -9.674 801 HD22 LEU 101 2HD2 LEU 101 -13.493 -26.291 -9.008 802 HD23 LEU 101 3HD2 LEU 101 -15.169 -25.905 -8.616 803 H GLU 102 H GLU 102 -18.537 -28.234 -8.791 804 HA GLU 102 HA GLU 102 -20.235 -29.965 -7.089 805 HB2 GLU 102 1HB GLU 102 -21.236 -27.601 -8.732 806 HB3 GLU 102 2HB GLU 102 -22.282 -28.893 -8.174 807 HG2 GLU 102 1HG GLU 102 -20.723 -26.985 -6.388 808 HG3 GLU 102 2HG GLU 102 -22.435 -26.896 -6.767 809 H ALA 103 H ALA 103 -21.603 -31.398 -8.278 810 HA ALA 103 HA ALA 103 -20.460 -32.465 -10.714 811 HB1 ALA 103 1HB ALA 103 -21.518 -33.873 -8.984 812 HB2 ALA 103 2HB ALA 103 -23.082 -33.075 -9.277 813 HB3 ALA 103 3HB ALA 103 -22.330 -34.066 -10.547 814 H LEU 104 H LEU 104 -21.603 -32.765 -12.741 815 HA LEU 104 HA LEU 104 -22.717 -30.330 -13.807 816 HB2 LEU 104 1HB LEU 104 -22.618 -33.129 -14.995 817 HB3 LEU 104 2HB LEU 104 -23.011 -31.660 -15.881 818 HG LEU 104 HG LEU 104 -20.318 -32.259 -14.573 819 HD11 LEU 104 1HD1 LEU 104 -19.512 -32.493 -16.879 820 HD12 LEU 104 2HD1 LEU 104 -21.156 -32.215 -17.501 821 HD13 LEU 104 3HD1 LEU 104 -20.794 -33.667 -16.540 822 HD21 LEU 104 1HD2 LEU 104 -21.196 -29.939 -16.352 823 HD22 LEU 104 2HD2 LEU 104 -19.520 -30.295 -15.877 824 HD23 LEU 104 3HD2 LEU 104 -20.697 -29.833 -14.645 825 H LYS 105 H LYS 105 -24.717 -29.704 -14.219 826 HA LYS 105 HA LYS 105 -27.077 -31.481 -13.897 827 HB2 LYS 105 1HB LYS 105 -26.585 -28.903 -12.343 828 HB3 LYS 105 2HB LYS 105 -28.170 -29.658 -12.464 829 HG2 LYS 105 1HG LYS 105 -25.754 -31.059 -11.266 830 HG3 LYS 105 2HG LYS 105 -26.920 -30.137 -10.343 831 HD2 LYS 105 1HD LYS 105 -28.676 -31.623 -10.706 832 HD3 LYS 105 2HD LYS 105 -27.942 -32.386 -12.112 833 HE2 LYS 105 1HE LYS 105 -26.610 -32.559 -9.395 834 HE3 LYS 105 2HE LYS 105 -27.950 -33.637 -9.801 835 HZ1 LYS 105 1HZ LYS 105 -26.725 -34.524 -11.621 836 HZ2 LYS 105 2HZ LYS 105 -25.698 -34.546 -10.356 837 HZ3 LYS 105 3HZ LYS 105 -25.552 -33.406 -11.538 838 H ASP 106 H ASP 106 -25.772 -30.292 -16.211 839 HA ASP 106 HA ASP 106 -27.515 -28.169 -17.223 840 HB2 ASP 106 1HB ASP 106 -26.245 -28.426 -19.287 841 HB3 ASP 106 2HB ASP 106 -25.203 -28.197 -17.893 842 H LEU 107 H LEU 107 -27.578 -31.661 -17.223 843 HA LEU 107 HA LEU 107 -29.371 -32.054 -19.434 844 HB2 LEU 107 1HB LEU 107 -27.948 -33.828 -18.502 845 HB3 LEU 107 2HB LEU 107 -28.790 -33.717 -16.955 846 HG LEU 107 HG LEU 107 -30.894 -34.509 -18.048 847 HD11 LEU 107 1HD1 LEU 107 -30.750 -35.552 -20.296 848 HD12 LEU 107 2HD1 LEU 107 -29.102 -34.916 -20.486 849 HD13 LEU 107 3HD1 LEU 107 -30.490 -33.809 -20.386 850 HD21 LEU 107 1HD2 LEU 107 -28.477 -36.312 -18.469 851 HD22 LEU 107 2HD2 LEU 107 -30.171 -36.837 -18.327 852 HD23 LEU 107 3HD2 LEU 107 -29.361 -36.089 -16.943 853 H ALA 108 H ALA 108 -31.548 -31.964 -19.582 854 HA ALA 108 HA ALA 108 -33.303 -31.765 -17.229 855 HB1 ALA 108 1HB ALA 108 -32.558 -29.433 -17.625 856 HB2 ALA 108 2HB ALA 108 -33.095 -29.545 -19.316 857 HB3 ALA 108 3HB ALA 108 -34.280 -29.625 -17.995 858 H SER 109 H SER 109 -35.621 -31.693 -17.882 859 HA SER 109 HA SER 109 -36.339 -32.624 -20.576 860 HB2 SER 109 1HB SER 109 -35.753 -34.722 -19.454 861 HB3 SER 109 2HB SER 109 -36.831 -34.326 -18.104 862 HG SER 109 HG SER 109 -37.793 -35.744 -19.655 863 H LEU 110 H LEU 110 -38.353 -31.993 -21.143 864 HA LEU 110 HA LEU 110 -40.236 -30.862 -19.111 865 HB2 LEU 110 1HB LEU 110 -39.270 -29.521 -21.667 866 HB3 LEU 110 2HB LEU 110 -40.596 -28.928 -20.678 867 HG LEU 110 HG LEU 110 -37.709 -29.152 -19.706 868 HD11 LEU 110 1HD1 LEU 110 -37.660 -26.710 -19.954 869 HD12 LEU 110 2HD1 LEU 110 -39.300 -26.730 -20.645 870 HD13 LEU 110 3HD1 LEU 110 -37.951 -27.498 -21.513 871 HD21 LEU 110 1HD2 LEU 110 -39.352 -29.206 -17.850 872 HD22 LEU 110 2HD2 LEU 110 -40.153 -27.761 -18.506 873 HD23 LEU 110 3HD2 LEU 110 -38.489 -27.666 -17.883 874 H SER 111 H SER 111 -42.420 -30.655 -19.811 875 HA SER 111 HA SER 111 -43.434 -32.851 -21.308 876 HB2 SER 111 1HB SER 111 -44.588 -31.593 -19.476 877 HB3 SER 111 2HB SER 111 -44.860 -30.257 -20.604 878 HG SER 111 HG SER 111 -46.113 -31.670 -21.889 879 H ARG 112 H ARG 112 -42.315 -29.794 -22.449 880 HA ARG 112 HA ARG 112 -43.697 -29.658 -24.996 881 HB2 ARG 112 1HB ARG 112 -42.638 -27.753 -23.759 882 HB3 ARG 112 2HB ARG 112 -41.045 -28.449 -24.082 883 HG2 ARG 112 1HG ARG 112 -41.374 -28.128 -26.506 884 HG3 ARG 112 2HG ARG 112 -43.030 -27.547 -26.221 885 HD2 ARG 112 1HD ARG 112 -42.131 -25.643 -24.923 886 HD3 ARG 112 2HD ARG 112 -40.478 -26.245 -25.177 887 HE ARG 112 HE ARG 112 -41.742 -25.936 -27.716 888 HH11 ARG 112 1HH1 ARG 112 -40.491 -23.875 -25.173 889 HH12 ARG 112 2HH1 ARG 112 -40.150 -22.567 -26.274 890 HH21 ARG 112 1HH2 ARG 112 -41.283 -24.231 -29.065 891 HH22 ARG 112 2HH2 ARG 112 -40.591 -22.770 -28.420 892 H ASP 113 H ASP 113 -40.983 -31.547 -23.894 893 HA ASP 113 HA ASP 113 -39.581 -31.795 -26.400 894 HB2 ASP 113 1HB ASP 113 -39.424 -33.572 -23.948 895 HB3 ASP 113 2HB ASP 113 -38.273 -33.516 -25.273 Start of MODEL 6 1 H1 GLY 0 1H GLY 0 13.761 -17.392 -32.722 2 H2 GLY 0 2H GLY 0 12.675 -17.175 -31.511 3 H3 GLY 0 3H GLY 0 13.786 -18.373 -31.408 4 HA2 GLY 0 1HA GLY 0 15.588 -16.787 -31.278 5 HA3 GLY 0 2HA GLY 0 14.391 -15.485 -31.407 6 H MET 1 H MET 1 16.176 -15.623 -29.269 7 HA MET 1 HA MET 1 15.046 -16.880 -26.936 8 HB2 MET 1 1HB MET 1 17.057 -14.619 -27.207 9 HB3 MET 1 2HB MET 1 16.649 -15.437 -25.692 10 HG2 MET 1 1HG MET 1 17.365 -17.602 -26.672 11 HG3 MET 1 2HG MET 1 17.870 -16.771 -28.143 12 HE1 MET 1 1HE MET 1 19.346 -14.113 -27.160 13 HE2 MET 1 2HE MET 1 21.002 -14.738 -27.039 14 HE3 MET 1 3HE MET 1 19.963 -15.249 -28.384 15 HA PRO 2 HA PRO 2 11.914 -13.912 -25.825 16 HB2 PRO 2 1HB PRO 2 12.756 -14.380 -22.967 17 HB3 PRO 2 2HB PRO 2 11.113 -14.410 -23.678 18 HG2 PRO 2 1HG PRO 2 12.400 -16.729 -23.130 19 HG3 PRO 2 2HG PRO 2 11.507 -16.549 -24.677 20 HD2 PRO 2 1HD PRO 2 14.486 -16.240 -24.182 21 HD3 PRO 2 2HD PRO 2 13.631 -17.148 -25.467 22 HA PRO 3 HA PRO 3 14.113 -10.052 -24.971 23 HB2 PRO 3 1HB PRO 3 12.046 -8.330 -24.492 24 HB3 PRO 3 2HB PRO 3 12.383 -9.008 -26.115 25 HG2 PRO 3 1HG PRO 3 10.381 -10.010 -24.061 26 HG3 PRO 3 2HG PRO 3 10.103 -9.671 -25.799 27 HD2 PRO 3 1HD PRO 3 10.631 -12.183 -24.877 28 HD3 PRO 3 2HD PRO 3 11.251 -11.623 -26.459 29 HA PRO 4 HA PRO 4 14.403 -9.813 -20.484 30 HB2 PRO 4 1HB PRO 4 15.346 -7.279 -20.060 31 HB3 PRO 4 2HB PRO 4 16.339 -8.588 -20.776 32 HG2 PRO 4 1HG PRO 4 14.802 -6.410 -22.234 33 HG3 PRO 4 2HG PRO 4 16.506 -6.912 -22.476 34 HD2 PRO 4 1HD PRO 4 14.499 -7.838 -24.061 35 HD3 PRO 4 2HD PRO 4 15.860 -8.896 -23.586 36 H ALA 5 H ALA 5 13.149 -9.209 -18.737 37 HA ALA 5 HA ALA 5 10.602 -7.878 -19.255 38 HB1 ALA 5 1HB ALA 5 10.792 -9.910 -17.848 39 HB2 ALA 5 2HB ALA 5 11.777 -8.999 -16.676 40 HB3 ALA 5 3HB ALA 5 10.081 -8.548 -16.966 41 H ASP 6 H ASP 6 9.791 -6.042 -18.158 42 HA ASP 6 HA ASP 6 11.728 -3.917 -17.563 43 HB2 ASP 6 1HB ASP 6 8.693 -3.863 -17.519 44 HB3 ASP 6 2HB ASP 6 9.774 -2.470 -17.404 45 H ILE 7 H ILE 7 12.318 -5.696 -15.740 46 HA ILE 7 HA ILE 7 11.033 -4.846 -13.174 47 HB ILE 7 HB ILE 7 11.940 -7.648 -13.880 48 HG12 ILE 7 1HG1 ILE 7 9.095 -6.586 -13.563 49 HG13 ILE 7 2HG1 ILE 7 9.845 -7.035 -15.088 50 HG21 ILE 7 1HG2 ILE 7 10.524 -6.583 -11.396 51 HG22 ILE 7 2HG2 ILE 7 10.937 -8.284 -11.706 52 HG23 ILE 7 3HG2 ILE 7 12.220 -7.118 -11.482 53 HD11 ILE 7 1HD1 ILE 7 9.107 -8.918 -12.833 54 HD12 ILE 7 2HD1 ILE 7 8.430 -8.827 -14.464 55 HD13 ILE 7 3HD1 ILE 7 10.100 -9.384 -14.239 56 H VAL 8 H VAL 8 12.367 -4.329 -11.544 57 HA VAL 8 HA VAL 8 15.303 -4.833 -11.793 58 HB VAL 8 HB VAL 8 15.675 -2.541 -10.910 59 HG11 VAL 8 1HG1 VAL 8 14.366 -2.666 -13.650 60 HG12 VAL 8 2HG1 VAL 8 15.512 -1.439 -13.087 61 HG13 VAL 8 3HG1 VAL 8 16.043 -3.118 -13.279 62 HG21 VAL 8 1HG2 VAL 8 13.999 -0.780 -11.328 63 HG22 VAL 8 2HG2 VAL 8 12.784 -2.010 -11.708 64 HG23 VAL 8 3HG2 VAL 8 13.475 -1.903 -10.072 65 H LYS 9 H LYS 9 16.298 -5.532 -10.028 66 HA LYS 9 HA LYS 9 14.813 -5.937 -7.535 67 HB2 LYS 9 1HB LYS 9 16.428 -7.598 -8.511 68 HB3 LYS 9 2HB LYS 9 17.745 -6.479 -8.124 69 HG2 LYS 9 1HG LYS 9 17.145 -6.628 -5.706 70 HG3 LYS 9 2HG LYS 9 15.764 -7.652 -6.111 71 HD2 LYS 9 1HD LYS 9 17.539 -9.036 -5.266 72 HD3 LYS 9 2HD LYS 9 17.309 -9.392 -6.983 73 HE2 LYS 9 1HE LYS 9 19.264 -7.949 -7.539 74 HE3 LYS 9 2HE LYS 9 19.469 -7.565 -5.824 75 HZ1 LYS 9 1HZ LYS 9 20.957 -9.355 -6.520 76 HZ2 LYS 9 2HZ LYS 9 19.708 -10.286 -7.003 77 HZ3 LYS 9 3HZ LYS 9 19.903 -9.933 -5.418 78 H VAL 10 H VAL 10 15.025 -4.882 -5.635 79 HA VAL 10 HA VAL 10 16.948 -2.615 -5.361 80 HB VAL 10 HB VAL 10 15.187 -1.190 -4.440 81 HG11 VAL 10 1HG1 VAL 10 14.167 -0.498 -6.480 82 HG12 VAL 10 2HG1 VAL 10 15.804 -1.057 -6.858 83 HG13 VAL 10 3HG1 VAL 10 14.406 -2.086 -7.236 84 HG21 VAL 10 1HG2 VAL 10 12.817 -1.667 -4.723 85 HG22 VAL 10 2HG2 VAL 10 13.178 -3.267 -5.401 86 HG23 VAL 10 3HG2 VAL 10 13.549 -2.902 -3.703 87 H ALA 11 H ALA 11 17.285 -1.895 -3.226 88 HA ALA 11 HA ALA 11 16.450 -3.786 -1.051 89 HB1 ALA 11 1HB ALA 11 18.880 -3.883 -1.444 90 HB2 ALA 11 2HB ALA 11 18.993 -2.124 -1.208 91 HB3 ALA 11 3HB ALA 11 18.494 -3.177 0.138 92 H ILE 12 H ILE 12 15.223 -2.902 0.531 93 HA ILE 12 HA ILE 12 14.758 0.048 0.461 94 HB ILE 12 HB ILE 12 12.793 -2.133 1.176 95 HG12 ILE 12 1HG1 ILE 12 12.929 -0.528 -1.415 96 HG13 ILE 12 2HG1 ILE 12 13.505 -2.186 -1.267 97 HG21 ILE 12 1HG2 ILE 12 12.365 0.124 2.225 98 HG22 ILE 12 2HG2 ILE 12 12.368 0.846 0.606 99 HG23 ILE 12 3HG2 ILE 12 11.121 -0.322 1.088 100 HD11 ILE 12 1HD1 ILE 12 10.654 -1.328 -0.805 101 HD12 ILE 12 2HD1 ILE 12 11.299 -2.155 -2.227 102 HD13 ILE 12 3HD1 ILE 12 11.295 -2.982 -0.649 103 H GLU 13 H GLU 13 15.236 1.147 2.172 104 HA GLU 13 HA GLU 13 15.875 -0.076 4.764 105 HB2 GLU 13 1HB GLU 13 15.808 2.812 3.828 106 HB3 GLU 13 2HB GLU 13 16.365 2.276 5.419 107 HG2 GLU 13 1HG GLU 13 18.134 0.912 4.325 108 HG3 GLU 13 2HG GLU 13 17.633 1.531 2.747 109 H TRP 14 H TRP 14 14.807 0.101 6.671 110 HA TRP 14 HA TRP 14 12.662 1.990 7.113 111 HB2 TRP 14 1HB TRP 14 11.398 0.180 6.086 112 HB3 TRP 14 2HB TRP 14 12.093 -0.988 7.209 113 HD1 TRP 14 HD TRP 14 10.744 -1.455 9.307 114 HE1 TRP 14 1HE TRP 14 8.738 -0.413 10.523 115 HE3 TRP 14 3HE TRP 14 10.265 2.806 6.531 116 HZ2 TRP 14 2HZ TRP 14 7.158 2.005 10.341 117 HZ3 TRP 14 3HZ TRP 14 8.544 4.499 7.108 118 HH2 TRP 14 HH TRP 14 6.987 4.112 9.004 119 HA PRO 15 HA PRO 15 14.821 1.857 10.945 120 HB2 PRO 15 1HB PRO 15 12.255 2.620 12.330 121 HB3 PRO 15 2HB PRO 15 13.878 3.370 12.458 122 HG2 PRO 15 1HG PRO 15 11.980 4.548 10.940 123 HG3 PRO 15 2HG PRO 15 13.648 4.387 10.286 124 HD2 PRO 15 1HD PRO 15 11.264 2.577 9.811 125 HD3 PRO 15 2HD PRO 15 12.337 3.333 8.599 126 H GLY 16 H GLY 16 15.328 0.558 12.687 127 HA2 GLY 16 1HA GLY 16 15.249 -1.170 14.199 128 HA3 GLY 16 2HA GLY 16 13.492 -1.184 14.055 129 H ALA 17 H ALA 17 15.052 -1.667 11.017 130 HA ALA 17 HA ALA 17 15.104 -4.625 11.231 131 HB1 ALA 17 1HB ALA 17 12.780 -4.000 10.614 132 HB2 ALA 17 2HB ALA 17 13.401 -3.075 9.227 133 HB3 ALA 17 3HB ALA 17 13.610 -4.837 9.288 134 H TYR 18 H TYR 18 16.164 -5.693 9.509 135 HA TYR 18 HA TYR 18 18.330 -4.269 8.204 136 HB2 TYR 18 1HB TYR 18 17.262 -7.084 7.799 137 HB3 TYR 18 2HB TYR 18 18.761 -6.459 7.126 138 HD1 TYR 18 1HD TYR 18 17.257 -8.085 9.968 139 HD2 TYR 18 2HD TYR 18 20.578 -5.603 8.761 140 HE1 TYR 18 1HE TYR 18 18.493 -8.740 12.025 141 HE2 TYR 18 2HE TYR 18 21.814 -6.265 10.825 142 HH TYR 18 HH TYR 18 20.418 -8.513 13.245 143 HA PRO 19 HA PRO 19 16.247 -2.915 4.599 144 HB2 PRO 19 1HB PRO 19 18.549 -3.939 2.934 145 HB3 PRO 19 2HB PRO 19 17.748 -2.335 2.892 146 HG2 PRO 19 1HG PRO 19 20.110 -2.632 4.182 147 HG3 PRO 19 2HG PRO 19 18.793 -1.684 4.948 148 HD2 PRO 19 1HD PRO 19 19.583 -4.565 5.479 149 HD3 PRO 19 2HD PRO 19 19.234 -3.249 6.642 150 H LYS 20 H LYS 20 14.625 -3.676 3.378 151 HA LYS 20 HA LYS 20 14.281 -6.570 2.913 152 HB2 LYS 20 1HB LYS 20 12.374 -5.370 3.684 153 HB3 LYS 20 2HB LYS 20 12.539 -4.126 2.437 154 HG2 LYS 20 1HG LYS 20 11.898 -5.681 0.693 155 HG3 LYS 20 2HG LYS 20 11.927 -7.044 1.834 156 HD2 LYS 20 1HD LYS 20 10.023 -6.107 3.057 157 HD3 LYS 20 2HD LYS 20 10.083 -4.627 2.100 158 HE2 LYS 20 1HE LYS 20 8.255 -6.030 1.326 159 HE3 LYS 20 2HE LYS 20 9.469 -5.839 0.061 160 HZ1 LYS 20 1HZ LYS 20 8.680 -8.144 0.281 161 HZ2 LYS 20 2HZ LYS 20 9.227 -8.237 1.814 162 HZ3 LYS 20 3HZ LYS 20 10.283 -8.071 0.575 163 H LEU 21 H LEU 21 15.101 -7.557 1.196 164 HA LEU 21 HA LEU 21 15.634 -6.137 -1.341 165 HB2 LEU 21 1HB LEU 21 15.986 -9.010 -0.420 166 HB3 LEU 21 2HB LEU 21 16.255 -8.511 -2.085 167 HG LEU 21 HG LEU 21 17.746 -7.237 0.250 168 HD11 LEU 21 1HD1 LEU 21 18.229 -9.649 0.204 169 HD12 LEU 21 2HD1 LEU 21 19.629 -8.711 -0.341 170 HD13 LEU 21 3HD1 LEU 21 18.608 -9.555 -1.530 171 HD21 LEU 21 1HD2 LEU 21 19.349 -6.587 -1.509 172 HD22 LEU 21 2HD2 LEU 21 17.745 -5.946 -1.883 173 HD23 LEU 21 3HD2 LEU 21 18.343 -7.375 -2.745 174 H MET 22 H MET 22 14.234 -6.067 -3.022 175 HA MET 22 HA MET 22 12.320 -8.195 -3.504 176 HB2 MET 22 1HB MET 22 10.298 -7.041 -3.326 177 HB3 MET 22 2HB MET 22 11.125 -6.684 -1.819 178 HG2 MET 22 1HG MET 22 11.730 -4.477 -2.602 179 HG3 MET 22 2HG MET 22 11.015 -4.778 -4.189 180 HE1 MET 22 1HE MET 22 8.223 -6.133 -3.842 181 HE2 MET 22 2HE MET 22 7.211 -4.689 -3.632 182 HE3 MET 22 3HE MET 22 8.553 -4.668 -4.797 183 H GLU 23 H GLU 23 10.853 -7.469 -5.498 184 HA GLU 23 HA GLU 23 12.598 -6.038 -7.465 185 HB2 GLU 23 1HB GLU 23 10.890 -8.507 -7.804 186 HB3 GLU 23 2HB GLU 23 11.416 -7.509 -9.166 187 HG2 GLU 23 1HG GLU 23 13.761 -7.825 -8.598 188 HG3 GLU 23 2HG GLU 23 13.338 -8.753 -7.160 189 H ILE 24 H ILE 24 11.828 -4.377 -8.448 190 HA ILE 24 HA ILE 24 8.961 -3.592 -8.189 191 HB ILE 24 HB ILE 24 11.509 -2.056 -8.782 192 HG12 ILE 24 1HG1 ILE 24 9.405 -2.003 -6.575 193 HG13 ILE 24 2HG1 ILE 24 11.067 -2.546 -6.437 194 HG21 ILE 24 1HG2 ILE 24 9.718 -1.195 -10.312 195 HG22 ILE 24 2HG2 ILE 24 8.693 -0.895 -8.888 196 HG23 ILE 24 3HG2 ILE 24 10.221 -0.026 -9.112 197 HD11 ILE 24 1HD1 ILE 24 10.132 0.321 -6.825 198 HD12 ILE 24 2HD1 ILE 24 10.872 -0.400 -5.392 199 HD13 ILE 24 3HD1 ILE 24 11.836 -0.205 -6.870 200 H ASP 25 H ASP 25 7.740 -4.321 -9.755 201 HA ASP 25 HA ASP 25 8.715 -4.665 -12.531 202 HB2 ASP 25 1HB ASP 25 7.276 -6.378 -11.497 203 HB3 ASP 25 2HB ASP 25 6.012 -5.186 -11.235 204 H GLN 26 H GLN 26 8.704 -2.978 -13.884 205 HA GLN 26 HA GLN 26 7.459 -0.482 -13.162 206 HB2 GLN 26 1HB GLN 26 8.751 -1.288 -15.759 207 HB3 GLN 26 2HB GLN 26 8.335 0.355 -15.293 208 HG2 GLN 26 1HG GLN 26 10.346 -1.381 -13.769 209 HG3 GLN 26 2HG GLN 26 10.755 -0.251 -15.043 210 HE21 GLN 26 1HE2 GLN 26 12.154 0.830 -13.462 211 HE22 GLN 26 2HE2 GLN 26 11.413 1.995 -12.374 212 H LYS 27 H LYS 27 6.098 -3.224 -14.742 213 HA LYS 27 HA LYS 27 3.933 -1.695 -16.067 214 HB2 LYS 27 1HB LYS 27 4.153 -4.666 -15.405 215 HB3 LYS 27 2HB LYS 27 2.890 -3.919 -16.361 216 HG2 LYS 27 1HG LYS 27 5.815 -4.184 -17.137 217 HG3 LYS 27 2HG LYS 27 4.418 -5.028 -17.809 218 HD2 LYS 27 1HD LYS 27 3.587 -2.538 -18.340 219 HD3 LYS 27 2HD LYS 27 5.313 -2.177 -18.238 220 HE2 LYS 27 1HE LYS 27 3.905 -4.149 -20.094 221 HE3 LYS 27 2HE LYS 27 4.632 -2.609 -20.551 222 HZ1 LYS 27 1HZ LYS 27 6.081 -4.464 -21.100 223 HZ2 LYS 27 2HZ LYS 27 6.137 -4.966 -19.550 224 HZ3 LYS 27 3HZ LYS 27 6.828 -3.544 -19.986 225 H LYS 28 H LYS 28 4.486 -3.094 -12.867 226 HA LYS 28 HA LYS 28 1.640 -3.088 -12.142 227 HB2 LYS 28 1HB LYS 28 4.194 -3.687 -10.599 228 HB3 LYS 28 2HB LYS 28 2.632 -3.508 -9.789 229 HG2 LYS 28 1HG LYS 28 1.710 -5.264 -11.401 230 HG3 LYS 28 2HG LYS 28 3.377 -5.531 -11.925 231 HD2 LYS 28 1HD LYS 28 2.974 -7.199 -10.306 232 HD3 LYS 28 2HD LYS 28 3.929 -5.984 -9.436 233 HE2 LYS 28 1HE LYS 28 1.851 -5.058 -8.438 234 HE3 LYS 28 2HE LYS 28 0.878 -6.161 -9.418 235 HZ1 LYS 28 1HZ LYS 28 1.075 -7.100 -7.258 236 HZ2 LYS 28 2HZ LYS 28 2.681 -6.913 -7.170 237 HZ3 LYS 28 3HZ LYS 28 2.035 -8.015 -8.208 238 HA PRO 29 HA PRO 29 1.426 1.134 -10.690 239 HB2 PRO 29 1HB PRO 29 -0.590 0.950 -8.827 240 HB3 PRO 29 2HB PRO 29 -0.885 0.863 -10.581 241 HG2 PRO 29 1HG PRO 29 -0.638 -1.421 -8.637 242 HG3 PRO 29 2HG PRO 29 -1.862 -1.191 -9.921 243 HD2 PRO 29 1HD PRO 29 0.321 -2.788 -10.236 244 HD3 PRO 29 2HD PRO 29 -0.360 -1.848 -11.593 245 H LEU 30 H LEU 30 2.386 2.347 -9.109 246 HA LEU 30 HA LEU 30 4.062 1.084 -7.188 247 HB2 LEU 30 1HB LEU 30 3.034 3.918 -7.499 248 HB3 LEU 30 2HB LEU 30 4.138 3.485 -6.198 249 HG LEU 30 HG LEU 30 4.834 2.854 -9.089 250 HD11 LEU 30 1HD1 LEU 30 6.105 4.963 -9.103 251 HD12 LEU 30 2HD1 LEU 30 5.390 5.403 -7.531 252 HD13 LEU 30 3HD1 LEU 30 4.358 5.226 -8.969 253 HD21 LEU 30 1HD2 LEU 30 6.204 1.752 -7.327 254 HD22 LEU 30 2HD2 LEU 30 6.543 3.340 -6.605 255 HD23 LEU 30 3HD2 LEU 30 7.141 2.946 -8.232 256 H SER 31 H SER 31 0.681 2.172 -6.782 257 HA SER 31 HA SER 31 0.550 1.965 -3.944 258 HB2 SER 31 1HB SER 31 -1.268 2.894 -5.272 259 HB3 SER 31 2HB SER 31 -1.564 1.318 -6.029 260 HG SER 31 HG SER 31 -2.986 1.793 -4.267 261 H ALA 32 H ALA 32 0.096 -0.634 -6.420 262 HA ALA 32 HA ALA 32 -0.346 -2.738 -4.502 263 HB1 ALA 32 1HB ALA 32 0.075 -4.221 -6.429 264 HB2 ALA 32 2HB ALA 32 -1.012 -2.895 -6.873 265 HB3 ALA 32 3HB ALA 32 0.696 -2.851 -7.374 266 H ILE 33 H ILE 33 2.619 -1.506 -6.082 267 HA ILE 33 HA ILE 33 4.404 -3.480 -4.960 268 HB ILE 33 HB ILE 33 4.927 -0.680 -6.024 269 HG12 ILE 33 1HG1 ILE 33 5.249 -3.409 -7.362 270 HG13 ILE 33 2HG1 ILE 33 3.893 -2.332 -7.640 271 HG21 ILE 33 1HG2 ILE 33 6.939 -2.923 -5.548 272 HG22 ILE 33 2HG2 ILE 33 7.271 -1.321 -6.246 273 HG23 ILE 33 3HG2 ILE 33 6.806 -1.452 -4.564 274 HD11 ILE 33 1HD1 ILE 33 5.344 -2.017 -9.458 275 HD12 ILE 33 2HD1 ILE 33 5.530 -0.574 -8.447 276 HD13 ILE 33 3HD1 ILE 33 6.766 -1.864 -8.424 277 H ILE 34 H ILE 34 3.561 -0.153 -3.845 278 HA ILE 34 HA ILE 34 5.184 -0.181 -1.493 279 HB ILE 34 HB ILE 34 2.673 1.346 -2.244 280 HG12 ILE 34 1HG1 ILE 34 5.508 2.418 -1.895 281 HG13 ILE 34 2HG1 ILE 34 5.011 1.692 -3.415 282 HG21 ILE 34 1HG2 ILE 34 4.435 1.748 0.220 283 HG22 ILE 34 2HG2 ILE 34 3.186 2.880 -0.340 284 HG23 ILE 34 3HG2 ILE 34 2.720 1.286 0.209 285 HD11 ILE 34 1HD1 ILE 34 3.669 4.107 -2.145 286 HD12 ILE 34 2HD1 ILE 34 4.776 4.112 -3.530 287 HD13 ILE 34 3HD1 ILE 34 3.185 3.339 -3.660 288 H LYS 35 H LYS 35 1.845 -1.417 -2.047 289 HA LYS 35 HA LYS 35 1.404 -2.236 0.665 290 HB2 LYS 35 1HB LYS 35 -0.276 -2.084 -1.266 291 HB3 LYS 35 2HB LYS 35 0.324 -3.654 -1.805 292 HG2 LYS 35 1HG LYS 35 -0.297 -4.655 0.367 293 HG3 LYS 35 2HG LYS 35 -0.768 -3.058 0.974 294 HD2 LYS 35 1HD LYS 35 -2.486 -2.954 -0.916 295 HD3 LYS 35 2HD LYS 35 -2.065 -4.620 -1.303 296 HE2 LYS 35 1HE LYS 35 -4.079 -4.586 0.033 297 HE3 LYS 35 2HE LYS 35 -2.782 -5.343 0.960 298 HZ1 LYS 35 1HZ LYS 35 -3.552 -2.484 1.272 299 HZ2 LYS 35 2HZ LYS 35 -2.541 -3.325 2.232 300 HZ3 LYS 35 3HZ LYS 35 -4.133 -3.683 2.228 301 H GLU 36 H GLU 36 3.029 -3.978 -2.044 302 HA GLU 36 HA GLU 36 3.651 -6.337 -0.529 303 HB2 GLU 36 1HB GLU 36 4.723 -5.055 -3.069 304 HB3 GLU 36 2HB GLU 36 5.447 -6.475 -2.373 305 HG2 GLU 36 1HG GLU 36 3.239 -7.645 -2.494 306 HG3 GLU 36 2HG GLU 36 2.544 -6.214 -3.255 307 H VAL 37 H VAL 37 5.320 -3.164 -0.780 308 HA VAL 37 HA VAL 37 7.632 -3.983 0.756 309 HB VAL 37 HB VAL 37 6.442 -1.186 0.773 310 HG11 VAL 37 1HG1 VAL 37 9.270 -2.227 1.238 311 HG12 VAL 37 2HG1 VAL 37 8.742 -0.532 1.314 312 HG13 VAL 37 3HG1 VAL 37 8.152 -1.704 2.503 313 HG21 VAL 37 1HG2 VAL 37 6.932 -1.828 -1.586 314 HG22 VAL 37 2HG2 VAL 37 7.990 -0.570 -0.977 315 HG23 VAL 37 3HG2 VAL 37 8.573 -2.243 -1.105 316 H CYS 38 H CYS 38 4.599 -2.315 1.722 317 HA CYS 38 HA CYS 38 5.165 -2.145 4.478 318 HB2 CYS 38 1HB CYS 38 2.492 -2.199 3.004 319 HB3 CYS 38 2HB CYS 38 2.688 -1.744 4.687 320 HG CYS 38 HG CYS 38 3.921 -0.348 1.960 321 H ASP 39 H ASP 39 3.340 -4.717 2.742 322 HA ASP 39 HA ASP 39 2.642 -6.284 4.996 323 HB2 ASP 39 1HB ASP 39 1.769 -6.524 2.674 324 HB3 ASP 39 2HB ASP 39 3.331 -7.171 2.163 325 H GLY 40 H GLY 40 5.748 -6.029 3.309 326 HA2 GLY 40 1HA GLY 40 7.069 -8.351 4.341 327 HA3 GLY 40 2HA GLY 40 7.828 -6.856 3.774 328 H TRP 41 H TRP 41 6.340 -5.241 5.846 329 HA TRP 41 HA TRP 41 7.669 -6.136 8.366 330 HB2 TRP 41 1HB TRP 41 7.228 -3.338 7.287 331 HB3 TRP 41 2HB TRP 41 7.797 -3.701 8.907 332 HD1 TRP 41 HD TRP 41 10.069 -5.567 8.729 333 HE1 TRP 41 1HE TRP 41 12.233 -5.134 7.419 334 HE3 TRP 41 3HE TRP 41 8.342 -2.033 5.442 335 HZ2 TRP 41 2HZ TRP 41 13.119 -3.447 5.268 336 HZ3 TRP 41 3HZ TRP 41 9.903 -0.999 3.798 337 HH2 TRP 41 HH TRP 41 12.257 -1.703 3.691 338 H SER 42 H SER 42 4.848 -6.543 7.184 339 HA SER 42 HA SER 42 2.707 -6.604 7.776 340 HB2 SER 42 1HB SER 42 2.131 -7.329 9.937 341 HB3 SER 42 2HB SER 42 3.717 -7.998 9.550 342 HG SER 42 HG SER 42 4.577 -6.138 10.777 343 H LEU 43 H LEU 43 3.810 -3.889 7.449 344 HA LEU 43 HA LEU 43 2.467 -2.065 9.250 345 HB2 LEU 43 1HB LEU 43 3.791 -1.798 6.541 346 HB3 LEU 43 2HB LEU 43 3.073 -0.417 7.335 347 HG LEU 43 HG LEU 43 5.269 -2.147 8.584 348 HD11 LEU 43 1HD1 LEU 43 6.060 -1.115 6.493 349 HD12 LEU 43 2HD1 LEU 43 6.840 -0.402 7.906 350 HD13 LEU 43 3HD1 LEU 43 5.538 0.481 7.078 351 HD21 LEU 43 1HD2 LEU 43 5.648 -0.166 10.018 352 HD22 LEU 43 2HD2 LEU 43 4.013 -0.797 10.234 353 HD23 LEU 43 3HD2 LEU 43 4.277 0.662 9.252 354 H ALA 44 H ALA 44 0.450 -1.399 9.274 355 HA ALA 44 HA ALA 44 -1.510 -2.175 7.247 356 HB1 ALA 44 1HB ALA 44 -3.101 -1.132 8.816 357 HB2 ALA 44 2HB ALA 44 -2.019 -2.247 9.667 358 HB3 ALA 44 3HB ALA 44 -1.754 -0.491 9.780 359 H ASN 45 H ASN 45 -3.025 -0.584 6.370 360 HA ASN 45 HA ASN 45 -3.525 1.145 4.983 361 HB2 ASN 45 1HB ASN 45 -2.275 2.775 7.218 362 HB3 ASN 45 2HB ASN 45 -3.455 3.344 6.045 363 HD21 ASN 45 1HD2 ASN 45 -3.354 2.735 9.164 364 HD22 ASN 45 2HD2 ASN 45 -4.925 1.982 9.397 365 H HIS 46 H HIS 46 -1.736 0.155 3.521 366 HA HIS 46 HA HIS 46 0.770 1.459 3.197 367 HB2 HIS 46 1HB HIS 46 0.969 0.139 1.270 368 HB3 HIS 46 2HB HIS 46 -0.006 -0.836 2.360 369 HD2 HIS 46 2HD HIS 46 -0.045 1.023 -0.913 370 HE1 HIS 46 1HE HIS 46 -4.008 -0.476 -0.570 371 HE2 HIS 46 2HE HIS 46 -2.345 0.668 -2.136 372 H GLU 47 H GLU 47 -2.417 2.432 2.227 373 HA GLU 47 HA GLU 47 -2.024 4.295 0.158 374 HB2 GLU 47 1HB GLU 47 -3.762 4.572 2.649 375 HB3 GLU 47 2HB GLU 47 -3.985 5.461 1.154 376 HG2 GLU 47 1HG GLU 47 -4.314 2.450 1.519 377 HG3 GLU 47 2HG GLU 47 -5.605 3.639 1.473 378 H TYR 48 H TYR 48 -1.116 4.576 3.588 379 HA TYR 48 HA TYR 48 -0.644 7.454 3.532 380 HB2 TYR 48 1HB TYR 48 0.376 5.327 5.447 381 HB3 TYR 48 2HB TYR 48 0.400 7.056 5.717 382 HD1 TYR 48 1HD TYR 48 -0.458 5.669 7.849 383 HD2 TYR 48 2HD TYR 48 -2.824 6.670 4.374 384 HE1 TYR 48 1HE TYR 48 -2.521 5.510 9.206 385 HE2 TYR 48 2HE TYR 48 -4.887 6.427 5.705 386 HH TYR 48 HH TYR 48 -5.787 6.040 7.786 387 H PHE 49 H PHE 49 1.157 4.797 2.300 388 HA PHE 49 HA PHE 49 3.791 6.002 2.931 389 HB2 PHE 49 1HB PHE 49 2.919 3.204 2.203 390 HB3 PHE 49 2HB PHE 49 4.595 3.709 2.188 391 HD1 PHE 49 1HD PHE 49 1.627 3.252 4.409 392 HD2 PHE 49 2HD PHE 49 5.875 3.967 4.183 393 HE1 PHE 49 1HE PHE 49 1.818 2.854 6.847 394 HE2 PHE 49 2HE PHE 49 6.059 3.577 6.624 395 HZ PHE 49 HZ PHE 49 4.040 3.020 7.964 396 H ALA 50 H ALA 50 5.468 6.008 1.518 397 HA ALA 50 HA ALA 50 5.083 5.599 -1.363 398 HB1 ALA 50 1HB ALA 50 4.625 7.993 -1.116 399 HB2 ALA 50 2HB ALA 50 6.107 8.208 -0.147 400 HB3 ALA 50 3HB ALA 50 6.213 7.765 -1.864 401 H LEU 51 H LEU 51 7.033 5.150 -2.428 402 HA LEU 51 HA LEU 51 9.338 4.369 -0.726 403 HB2 LEU 51 1HB LEU 51 8.544 3.963 -3.621 404 HB3 LEU 51 2HB LEU 51 10.231 3.791 -3.143 405 HG LEU 51 HG LEU 51 7.990 2.245 -1.775 406 HD11 LEU 51 1HD1 LEU 51 9.767 1.397 -4.098 407 HD12 LEU 51 2HD1 LEU 51 8.010 1.660 -4.158 408 HD13 LEU 51 3HD1 LEU 51 8.670 0.332 -3.193 409 HD21 LEU 51 1HD2 LEU 51 9.846 0.758 -1.099 410 HD22 LEU 51 2HD2 LEU 51 10.121 2.385 -0.496 411 HD23 LEU 51 3HD2 LEU 51 11.011 1.804 -1.920 412 H GLN 52 H GLN 52 11.383 5.292 -1.019 413 HA GLN 52 HA GLN 52 11.587 7.860 -2.497 414 HB2 GLN 52 1HB GLN 52 10.772 8.269 -0.174 415 HB3 GLN 52 2HB GLN 52 12.202 7.443 0.456 416 HG2 GLN 52 1HG GLN 52 13.609 9.226 -0.686 417 HG3 GLN 52 2HG GLN 52 12.099 10.050 -1.103 418 HE21 GLN 52 1HE2 GLN 52 11.083 11.317 0.514 419 HE22 GLN 52 2HE2 GLN 52 11.701 11.413 2.152 420 H HIS 53 H HIS 53 13.678 8.357 -3.155 421 HA HIS 53 HA HIS 53 15.616 6.171 -3.348 422 HB2 HIS 53 1HB HIS 53 15.580 9.061 -4.201 423 HB3 HIS 53 2HB HIS 53 17.102 8.180 -4.162 424 HD2 HIS 53 2HD HIS 53 14.175 8.749 -6.399 425 HE1 HIS 53 1HE HIS 53 16.252 5.441 -8.093 426 HE2 HIS 53 2HE HIS 53 14.451 7.198 -8.502 427 H ALA 54 H ALA 54 17.519 5.823 -2.287 428 HA ALA 54 HA ALA 54 18.183 7.598 0.034 429 HB1 ALA 54 1HB ALA 54 16.868 5.636 0.730 430 HB2 ALA 54 2HB ALA 54 18.071 4.560 -0.010 431 HB3 ALA 54 3HB ALA 54 18.520 5.578 1.373 432 H ASP 55 H ASP 55 19.506 5.799 -2.674 433 HA ASP 55 HA ASP 55 22.251 5.900 -1.621 434 HB2 ASP 55 1HB ASP 55 22.877 4.846 -3.759 435 HB3 ASP 55 2HB ASP 55 21.707 3.957 -2.826 436 H SER 56 H SER 56 20.438 8.360 -2.795 437 HA SER 56 HA SER 56 22.852 9.872 -3.609 438 HB2 SER 56 1HB SER 56 22.041 9.018 -5.729 439 HB3 SER 56 2HB SER 56 20.411 9.632 -5.398 440 HG SER 56 HG SER 56 21.714 11.022 -6.748 441 H SER 57 H SER 57 19.277 10.394 -3.568 442 HA SER 57 HA SER 57 19.445 12.198 -1.295 443 HB2 SER 57 1HB SER 57 20.139 13.686 -3.182 444 HB3 SER 57 2HB SER 57 18.596 13.343 -3.978 445 HG SER 57 HG SER 57 18.586 15.292 -2.720 446 H ASN 58 H ASN 58 17.277 13.010 -0.713 447 HA ASN 58 HA ASN 58 15.505 10.748 -0.596 448 HB2 ASN 58 1HB ASN 58 15.387 13.514 0.665 449 HB3 ASN 58 2HB ASN 58 14.302 12.201 1.070 450 HD21 ASN 58 1HD2 ASN 58 15.080 10.363 2.239 451 HD22 ASN 58 2HD2 ASN 58 16.644 10.442 3.054 452 H PHE 59 H PHE 59 15.383 11.488 -3.266 453 HA PHE 59 HA PHE 59 12.995 13.025 -3.882 454 HB2 PHE 59 1HB PHE 59 14.235 10.828 -5.559 455 HB3 PHE 59 2HB PHE 59 13.233 12.155 -6.109 456 HD1 PHE 59 1HD PHE 59 14.316 14.607 -5.384 457 HD2 PHE 59 2HD PHE 59 16.468 10.941 -6.122 458 HE1 PHE 59 1HE PHE 59 16.350 15.915 -5.961 459 HE2 PHE 59 2HE PHE 59 18.496 12.252 -6.709 460 HZ PHE 59 HZ PHE 59 18.438 14.739 -6.633 461 H TYR 60 H TYR 60 10.869 12.381 -3.640 462 HA TYR 60 HA TYR 60 10.143 9.686 -2.845 463 HB2 TYR 60 1HB TYR 60 8.444 11.991 -3.858 464 HB3 TYR 60 2HB TYR 60 7.811 10.468 -3.256 465 HD1 TYR 60 1HD TYR 60 8.838 13.775 -2.320 466 HD2 TYR 60 2HD TYR 60 8.408 9.737 -0.851 467 HE1 TYR 60 1HE TYR 60 8.770 14.632 0.015 468 HE2 TYR 60 2HE TYR 60 8.337 10.607 1.488 469 HH TYR 60 HH TYR 60 8.651 14.095 2.240 470 H ILE 61 H ILE 61 9.244 8.026 -4.023 471 HA ILE 61 HA ILE 61 9.647 8.031 -6.940 472 HB ILE 61 HB ILE 61 8.647 5.866 -5.067 473 HG12 ILE 61 1HG1 ILE 61 10.933 6.321 -4.489 474 HG13 ILE 61 2HG1 ILE 61 10.897 4.840 -5.418 475 HG21 ILE 61 1HG2 ILE 61 7.845 5.440 -7.323 476 HG22 ILE 61 2HG2 ILE 61 9.463 5.702 -7.999 477 HG23 ILE 61 3HG2 ILE 61 9.134 4.312 -6.937 478 HD11 ILE 61 1HD1 ILE 61 11.815 7.591 -6.374 479 HD12 ILE 61 2HD1 ILE 61 12.796 6.144 -6.084 480 HD13 ILE 61 3HD1 ILE 61 11.662 6.179 -7.444 481 H THR 62 H THR 62 8.118 8.016 -8.452 482 HA THR 62 HA THR 62 5.236 8.122 -7.827 483 HB THR 62 HB THR 62 4.820 10.164 -8.948 484 HG1 THR 62 1HG THR 62 6.673 11.378 -9.788 485 HG21 THR 62 1HG2 THR 62 5.947 11.904 -7.723 486 HG22 THR 62 2HG2 THR 62 7.289 10.823 -7.298 487 HG23 THR 62 3HG2 THR 62 5.664 10.542 -6.628 488 H GLU 63 H GLU 63 3.975 8.135 -9.932 489 HA GLU 63 HA GLU 63 4.919 6.107 -11.703 490 HB2 GLU 63 1HB GLU 63 2.592 8.035 -11.850 491 HB3 GLU 63 2HB GLU 63 2.842 6.746 -13.016 492 HG2 GLU 63 1HG GLU 63 2.515 6.333 -10.004 493 HG3 GLU 63 2HG GLU 63 1.231 6.175 -11.179 494 H LYS 64 H LYS 64 5.970 9.285 -11.687 495 HA LYS 64 HA LYS 64 7.036 8.960 -14.469 496 HB2 LYS 64 1HB LYS 64 6.313 11.547 -13.046 497 HB3 LYS 64 2HB LYS 64 7.229 11.472 -14.541 498 HG2 LYS 64 1HG LYS 64 4.372 10.487 -14.171 499 HG3 LYS 64 2HG LYS 64 4.850 12.001 -14.919 500 HD2 LYS 64 1HD LYS 64 5.443 9.209 -15.999 501 HD3 LYS 64 2HD LYS 64 4.200 10.318 -16.571 502 HE2 LYS 64 1HE LYS 64 5.952 11.966 -17.214 503 HE3 LYS 64 2HE LYS 64 7.206 10.838 -16.680 504 HZ1 LYS 64 1HZ LYS 64 6.785 10.690 -19.100 505 HZ2 LYS 64 2HZ LYS 64 5.241 10.275 -18.841 506 HZ3 LYS 64 3HZ LYS 64 6.442 9.270 -18.371 507 H ASN 65 H ASN 65 7.914 9.318 -11.128 508 HA ASN 65 HA ASN 65 10.755 9.876 -11.802 509 HB2 ASN 65 1HB ASN 65 9.287 9.393 -9.178 510 HB3 ASN 65 2HB ASN 65 11.027 9.605 -9.292 511 HD21 ASN 65 1HD2 ASN 65 9.895 11.274 -7.633 512 HD22 ASN 65 2HD2 ASN 65 9.796 12.874 -8.352 513 H ARG 66 H ARG 66 8.743 7.074 -11.192 514 HA ARG 66 HA ARG 66 10.593 5.270 -10.122 515 HB2 ARG 66 1HB ARG 66 9.054 3.527 -10.832 516 HB3 ARG 66 2HB ARG 66 8.188 4.909 -10.179 517 HG2 ARG 66 1HG ARG 66 7.722 5.691 -12.544 518 HG3 ARG 66 2HG ARG 66 8.495 4.221 -13.145 519 HD2 ARG 66 1HD ARG 66 6.037 4.358 -11.354 520 HD3 ARG 66 2HD ARG 66 6.035 4.032 -13.097 521 HE ARG 66 HE ARG 66 7.737 2.116 -11.948 522 HH11 ARG 66 1HH1 ARG 66 4.239 2.803 -11.954 523 HH12 ARG 66 2HH1 ARG 66 3.926 1.135 -11.507 524 HH21 ARG 66 1HH2 ARG 66 7.121 0.136 -11.170 525 HH22 ARG 66 2HH2 ARG 66 5.420 -0.278 -11.139 526 H ASN 67 H ASN 67 10.641 6.358 -13.400 527 HA ASN 67 HA ASN 67 11.989 4.129 -14.617 528 HB2 ASN 67 1HB ASN 67 12.412 5.632 -16.416 529 HB3 ASN 67 2HB ASN 67 10.840 6.111 -15.783 530 HD21 ASN 67 1HD2 ASN 67 13.961 7.227 -16.624 531 HD22 ASN 67 2HD2 ASN 67 13.989 8.692 -15.646 532 H GLU 68 H GLU 68 13.150 6.672 -12.449 533 HA GLU 68 HA GLU 68 15.966 6.406 -13.132 534 HB2 GLU 68 1HB GLU 68 14.624 7.562 -10.657 535 HB3 GLU 68 2HB GLU 68 16.314 7.762 -11.096 536 HG2 GLU 68 1HG GLU 68 13.894 8.868 -12.566 537 HG3 GLU 68 2HG GLU 68 15.097 9.767 -11.655 538 H ILE 69 H ILE 69 13.860 4.404 -11.279 539 HA ILE 69 HA ILE 69 15.855 3.289 -9.475 540 HB ILE 69 HB ILE 69 13.192 2.144 -10.396 541 HG12 ILE 69 1HG1 ILE 69 13.817 3.702 -7.840 542 HG13 ILE 69 2HG1 ILE 69 12.970 4.374 -9.231 543 HG21 ILE 69 1HG2 ILE 69 14.797 0.458 -9.460 544 HG22 ILE 69 2HG2 ILE 69 14.935 1.440 -7.990 545 HG23 ILE 69 3HG2 ILE 69 13.390 0.678 -8.442 546 HD11 ILE 69 1HD1 ILE 69 11.331 3.765 -7.613 547 HD12 ILE 69 2HD1 ILE 69 11.182 2.649 -8.982 548 HD13 ILE 69 3HD1 ILE 69 11.961 2.126 -7.466 549 H LYS 70 H LYS 70 17.246 1.712 -9.851 550 HA LYS 70 HA LYS 70 17.138 0.093 -12.346 551 HB2 LYS 70 1HB LYS 70 19.527 1.480 -11.040 552 HB3 LYS 70 2HB LYS 70 19.652 0.361 -12.401 553 HG2 LYS 70 1HG LYS 70 18.343 1.824 -13.826 554 HG3 LYS 70 2HG LYS 70 18.049 2.962 -12.525 555 HD2 LYS 70 1HD LYS 70 20.821 2.297 -13.574 556 HD3 LYS 70 2HD LYS 70 19.859 3.663 -14.132 557 HE2 LYS 70 1HE LYS 70 20.704 3.236 -11.227 558 HE3 LYS 70 2HE LYS 70 21.594 4.221 -12.386 559 HZ1 LYS 70 1HZ LYS 70 19.648 5.652 -12.607 560 HZ2 LYS 70 2HZ LYS 70 20.104 5.580 -11.045 561 HZ3 LYS 70 3HZ LYS 70 18.783 4.760 -11.543 562 H ASN 71 H ASN 71 18.770 -1.773 -12.178 563 HA ASN 71 HA ASN 71 18.121 -3.431 -9.917 564 HB2 ASN 71 1HB ASN 71 19.763 -4.993 -10.876 565 HB3 ASN 71 2HB ASN 71 18.597 -4.435 -12.065 566 HD21 ASN 71 1HD2 ASN 71 21.852 -5.069 -11.661 567 HD22 ASN 71 2HD2 ASN 71 22.450 -4.035 -12.949 568 H GLY 72 H GLY 72 18.898 -3.336 -7.944 569 HA2 GLY 72 1HA GLY 72 20.476 -3.238 -6.218 570 HA3 GLY 72 2HA GLY 72 21.696 -2.611 -7.323 571 H THR 73 H THR 73 18.753 -0.790 -7.606 572 HA THR 73 HA THR 73 19.853 1.562 -6.340 573 HB THR 73 HB THR 73 17.071 0.878 -7.289 574 HG1 THR 73 1HG THR 73 19.066 2.707 -8.159 575 HG21 THR 73 1HG2 THR 73 18.036 3.562 -6.203 576 HG22 THR 73 2HG2 THR 73 16.759 2.542 -5.511 577 HG23 THR 73 3HG2 THR 73 16.523 3.285 -7.091 578 H ILE 74 H ILE 74 19.816 2.234 -4.270 579 HA ILE 74 HA ILE 74 18.325 0.613 -2.276 580 HB ILE 74 HB ILE 74 20.249 2.853 -1.688 581 HG12 ILE 74 1HG1 ILE 74 20.848 -0.147 -1.636 582 HG13 ILE 74 2HG1 ILE 74 21.350 0.917 -2.949 583 HG21 ILE 74 1HG2 ILE 74 20.264 1.881 0.574 584 HG22 ILE 74 2HG2 ILE 74 18.619 2.281 0.114 585 HG23 ILE 74 3HG2 ILE 74 19.156 0.595 0.050 586 HD11 ILE 74 1HD1 ILE 74 22.647 2.305 -1.376 587 HD12 ILE 74 2HD1 ILE 74 22.291 1.132 -0.080 588 HD13 ILE 74 3HD1 ILE 74 23.215 0.629 -1.505 589 H LEU 75 H LEU 75 16.487 1.215 -1.532 590 HA LEU 75 HA LEU 75 15.489 4.018 -1.786 591 HB2 LEU 75 1HB LEU 75 13.926 1.415 -1.826 592 HB3 LEU 75 2HB LEU 75 13.231 3.024 -1.967 593 HG LEU 75 HG LEU 75 15.062 1.703 -4.019 594 HD11 LEU 75 1HD1 LEU 75 12.088 2.330 -4.131 595 HD12 LEU 75 2HD1 LEU 75 12.788 0.718 -3.858 596 HD13 LEU 75 3HD1 LEU 75 13.069 1.556 -5.392 597 HD21 LEU 75 1HD2 LEU 75 13.581 4.376 -4.060 598 HD22 LEU 75 2HD2 LEU 75 14.339 3.614 -5.474 599 HD23 LEU 75 3HD2 LEU 75 15.343 4.123 -4.119 600 H ARG 76 H ARG 76 13.713 4.430 -0.188 601 HA ARG 76 HA ARG 76 13.886 2.994 2.416 602 HB2 ARG 76 1HB ARG 76 15.342 5.005 2.436 603 HB3 ARG 76 2HB ARG 76 13.964 6.019 1.991 604 HG2 ARG 76 1HG ARG 76 12.835 5.448 4.097 605 HG3 ARG 76 2HG ARG 76 14.133 4.325 4.519 606 HD2 ARG 76 1HD ARG 76 14.425 7.336 4.134 607 HD3 ARG 76 2HD ARG 76 14.286 6.516 5.699 608 HE ARG 76 HE ARG 76 16.486 5.318 4.370 609 HH11 ARG 76 1HH1 ARG 76 18.474 5.766 4.690 610 HH12 ARG 76 2HH1 ARG 76 19.020 7.309 5.360 611 HH21 ARG 76 1HH2 ARG 76 15.781 8.506 5.677 612 HH22 ARG 76 2HH2 ARG 76 17.475 8.841 5.927 613 H LEU 77 H LEU 77 11.943 2.647 3.354 614 HA LEU 77 HA LEU 77 9.474 3.538 1.988 615 HB2 LEU 77 1HB LEU 77 9.587 1.253 2.788 616 HB3 LEU 77 2HB LEU 77 9.984 1.787 4.422 617 HG LEU 77 HG LEU 77 7.700 2.872 4.495 618 HD11 LEU 77 1HD1 LEU 77 7.213 3.096 2.088 619 HD12 LEU 77 2HD1 LEU 77 6.044 1.960 2.783 620 HD13 LEU 77 3HD1 LEU 77 7.412 1.348 1.852 621 HD21 LEU 77 1HD2 LEU 77 7.724 -0.103 3.935 622 HD22 LEU 77 2HD2 LEU 77 6.474 0.792 4.815 623 HD23 LEU 77 3HD2 LEU 77 8.111 0.666 5.488 624 H THR 78 H THR 78 8.172 5.190 2.673 625 HA THR 78 HA THR 78 8.520 6.424 5.333 626 HB THR 78 HB THR 78 10.313 7.453 4.093 627 HG1 THR 78 1HG THR 78 9.315 8.892 5.374 628 HG21 THR 78 1HG2 THR 78 8.285 8.213 1.951 629 HG22 THR 78 2HG2 THR 78 9.681 7.128 1.763 630 HG23 THR 78 3HG2 THR 78 9.946 8.838 2.078 631 H THR 79 H THR 79 6.746 7.804 5.946 632 HA THR 79 HA THR 79 4.273 7.363 4.447 633 HB THR 79 HB THR 79 3.277 8.944 6.109 634 HG1 THR 79 1HG THR 79 5.236 9.933 6.780 635 HG21 THR 79 1HG2 THR 79 3.188 7.300 7.898 636 HG22 THR 79 2HG2 THR 79 4.594 6.444 7.212 637 HG23 THR 79 3HG2 THR 79 3.056 6.520 6.320 638 H SER 80 H SER 80 3.284 8.695 3.048 639 HA SER 80 HA SER 80 5.034 10.442 1.600 640 HB2 SER 80 1HB SER 80 3.327 10.409 -0.080 641 HB3 SER 80 2HB SER 80 3.380 8.803 0.652 642 HG SER 80 HG SER 80 1.248 9.419 0.511 643 HA PRO 81 HA PRO 81 3.444 14.493 2.835 644 HB2 PRO 81 1HB PRO 81 3.810 15.981 0.584 645 HB3 PRO 81 2HB PRO 81 5.167 15.396 1.585 646 HG2 PRO 81 1HG PRO 81 4.055 14.136 -0.945 647 HG3 PRO 81 2HG PRO 81 5.764 14.522 -0.553 648 HD2 PRO 81 1HD PRO 81 4.742 12.033 -0.179 649 HD3 PRO 81 2HD PRO 81 5.922 12.726 0.965 650 H ALA 82 H ALA 82 2.138 12.629 0.181 651 HA ALA 82 HA ALA 82 -0.201 14.236 -0.319 652 HB1 ALA 82 1HB ALA 82 0.908 12.860 -2.041 653 HB2 ALA 82 2HB ALA 82 0.485 11.384 -1.138 654 HB3 ALA 82 3HB ALA 82 -0.792 12.402 -1.837 655 H GLN 83 H GLN 83 0.400 12.528 2.450 656 HA GLN 83 HA GLN 83 -2.051 11.141 2.968 657 HB2 GLN 83 1HB GLN 83 -0.098 12.621 4.768 658 HB3 GLN 83 2HB GLN 83 -1.487 11.732 5.392 659 HG2 GLN 83 1HG GLN 83 -0.657 9.627 4.535 660 HG3 GLN 83 2HG GLN 83 0.684 10.426 3.705 661 HE21 GLN 83 1HE2 GLN 83 2.282 11.616 5.094 662 HE22 GLN 83 2HE2 GLN 83 2.511 11.083 6.767 663 H ASN 84 H ASN 84 -1.246 14.619 3.235 664 HA ASN 84 HA ASN 84 -3.714 15.324 4.597 665 HB2 ASN 84 1HB ASN 84 -1.572 16.550 4.866 666 HB3 ASN 84 2HB ASN 84 -1.625 17.032 3.168 667 HD21 ASN 84 1HD2 ASN 84 -2.387 19.107 2.896 668 HD22 ASN 84 2HD2 ASN 84 -3.548 19.876 3.967 669 H ALA 85 H ALA 85 -2.640 15.459 1.206 670 HA ALA 85 HA ALA 85 -5.358 15.563 0.178 671 HB1 ALA 85 1HB ALA 85 -3.461 17.922 -0.274 672 HB2 ALA 85 2HB ALA 85 -5.025 17.680 -1.083 673 HB3 ALA 85 3HB ALA 85 -4.972 17.970 0.663 674 H GLN 86 H GLN 86 -5.387 15.288 -2.175 675 HA GLN 86 HA GLN 86 -3.334 13.477 -3.111 676 HB2 GLN 86 1HB GLN 86 -5.785 14.637 -4.490 677 HB3 GLN 86 2HB GLN 86 -4.736 13.373 -5.155 678 HG2 GLN 86 1HG GLN 86 -5.234 11.942 -3.162 679 HG3 GLN 86 2HG GLN 86 -6.371 13.163 -2.586 680 HE21 GLN 86 1HE2 GLN 86 -7.473 10.747 -2.862 681 HE22 GLN 86 2HE2 GLN 86 -8.431 10.653 -4.333 682 H GLN 87 H GLN 87 -1.570 15.019 -2.855 683 HA GLN 87 HA GLN 87 -1.172 17.252 -4.570 684 HB2 GLN 87 1HB GLN 87 -0.137 16.860 -2.361 685 HB3 GLN 87 2HB GLN 87 0.812 15.524 -3.027 686 HG2 GLN 87 1HG GLN 87 2.068 17.068 -4.455 687 HG3 GLN 87 2HG GLN 87 1.002 18.404 -4.003 688 HE21 GLN 87 1HE2 GLN 87 3.869 19.059 -1.892 689 HE22 GLN 87 2HE2 GLN 87 3.268 19.343 -3.521 690 H LEU 88 H LEU 88 -0.748 13.906 -5.230 691 HA LEU 88 HA LEU 88 1.309 14.041 -7.244 692 HB2 LEU 88 1HB LEU 88 -0.827 11.948 -6.750 693 HB3 LEU 88 2HB LEU 88 0.561 11.764 -7.818 694 HG LEU 88 HG LEU 88 0.672 12.115 -4.787 695 HD11 LEU 88 1HD1 LEU 88 -0.107 9.911 -5.576 696 HD12 LEU 88 2HD1 LEU 88 1.497 9.804 -4.830 697 HD13 LEU 88 3HD1 LEU 88 1.339 9.768 -6.603 698 HD21 LEU 88 1HD2 LEU 88 3.101 11.578 -5.041 699 HD22 LEU 88 2HD2 LEU 88 2.683 13.138 -5.747 700 HD23 LEU 88 3HD2 LEU 88 2.932 11.728 -6.805 701 H HIS 89 H HIS 89 1.161 13.743 -9.469 702 HA HIS 89 HA HIS 89 -0.843 15.305 -10.864 703 HB2 HIS 89 1HB HIS 89 0.467 14.599 -12.875 704 HB3 HIS 89 2HB HIS 89 1.428 15.357 -11.616 705 HD2 HIS 89 2HD HIS 89 3.524 14.079 -10.786 706 HE1 HIS 89 1HE HIS 89 2.723 10.229 -12.437 707 HE2 HIS 89 2HE HIS 89 4.437 11.641 -11.178 708 H GLU 90 H GLU 90 -1.999 14.516 -12.799 709 HA GLU 90 HA GLU 90 -3.673 12.209 -12.223 710 HB2 GLU 90 1HB GLU 90 -3.413 13.926 -14.729 711 HB3 GLU 90 2HB GLU 90 -4.651 12.704 -14.463 712 HG2 GLU 90 1HG GLU 90 -4.263 15.277 -12.882 713 HG3 GLU 90 2HG GLU 90 -5.528 14.945 -14.058 714 H ARG 91 H ARG 91 -3.269 10.150 -12.656 715 HA ARG 91 HA ARG 91 -0.860 9.393 -14.096 716 HB2 ARG 91 1HB ARG 91 -1.919 8.402 -11.908 717 HB3 ARG 91 2HB ARG 91 -2.865 7.402 -12.993 718 HG2 ARG 91 1HG ARG 91 0.159 7.595 -12.732 719 HG3 ARG 91 2HG ARG 91 -0.867 6.237 -12.258 720 HD2 ARG 91 1HD ARG 91 -1.354 5.783 -14.656 721 HD3 ARG 91 2HD ARG 91 -0.312 7.151 -15.103 722 HE ARG 91 HE ARG 91 0.934 5.070 -13.428 723 HH11 ARG 91 1HH1 ARG 91 0.531 6.157 -16.758 724 HH12 ARG 91 2HH1 ARG 91 2.016 5.382 -17.244 725 HH21 ARG 91 1HH2 ARG 91 2.857 4.303 -14.076 726 HH22 ARG 91 2HH2 ARG 91 3.280 4.318 -15.775 727 H ILE 92 H ILE 92 -1.370 10.169 -16.181 728 HA ILE 92 HA ILE 92 -3.390 9.038 -17.864 729 HB ILE 92 HB ILE 92 -2.087 9.850 -19.744 730 HG12 ILE 92 1HG1 ILE 92 0.113 10.576 -17.759 731 HG13 ILE 92 2HG1 ILE 92 0.197 9.282 -18.955 732 HG21 ILE 92 1HG2 ILE 92 -2.091 11.907 -17.497 733 HG22 ILE 92 2HG2 ILE 92 -2.265 12.202 -19.238 734 HG23 ILE 92 3HG2 ILE 92 -3.541 11.356 -18.363 735 HD11 ILE 92 1HD1 ILE 92 1.403 11.168 -19.808 736 HD12 ILE 92 2HD1 ILE 92 -0.070 10.973 -20.779 737 HD13 ILE 92 3HD1 ILE 92 0.033 12.256 -19.548 738 H GLN 93 H GLN 93 -3.366 7.391 -19.390 739 HA GLN 93 HA GLN 93 -1.591 5.100 -18.849 740 HB2 GLN 93 1HB GLN 93 -3.875 5.488 -20.827 741 HB3 GLN 93 2HB GLN 93 -2.995 3.976 -20.551 742 HG2 GLN 93 1HG GLN 93 -3.700 4.035 -18.145 743 HG3 GLN 93 2HG GLN 93 -4.681 5.462 -18.485 744 HE21 GLN 93 1HE2 GLN 93 -6.105 3.496 -17.416 745 HE22 GLN 93 2HE2 GLN 93 -7.032 2.633 -18.638 746 H SER 94 H SER 94 -1.805 7.685 -21.221 747 HA SER 94 HA SER 94 -0.336 6.495 -23.343 748 HB2 SER 94 1HB SER 94 -0.580 9.441 -22.634 749 HB3 SER 94 2HB SER 94 -0.118 8.764 -24.207 750 HG SER 94 HG SER 94 -2.343 9.321 -24.138 751 H SER 95 H SER 95 1.775 6.452 -23.897 752 HA SER 95 HA SER 95 3.868 7.045 -21.928 753 HB2 SER 95 1HB SER 95 3.944 5.059 -23.410 754 HB3 SER 95 2HB SER 95 4.065 6.129 -24.820 755 HG SER 95 HG SER 95 6.111 5.352 -24.041 756 H SER 96 H SER 96 5.746 8.376 -22.486 757 HA SER 96 HA SER 96 5.154 10.998 -23.665 758 HB2 SER 96 1HB SER 96 7.736 9.828 -22.564 759 HB3 SER 96 2HB SER 96 7.486 11.518 -23.041 760 HG SER 96 HG SER 96 5.960 11.741 -21.418 761 H MET 97 H MET 97 4.539 9.605 -25.646 762 HA MET 97 HA MET 97 6.634 8.495 -27.284 763 HB2 MET 97 1HB MET 97 4.833 7.808 -28.728 764 HB3 MET 97 2HB MET 97 4.381 7.529 -27.048 765 HG2 MET 97 1HG MET 97 3.054 9.648 -27.078 766 HG3 MET 97 2HG MET 97 3.445 9.858 -28.782 767 HE1 MET 97 1HE MET 97 2.437 8.512 -30.742 768 HE2 MET 97 2HE MET 97 3.135 6.998 -30.121 769 HE3 MET 97 3HE MET 97 1.419 7.067 -30.563 770 H ASP 98 H ASP 98 6.182 11.705 -26.962 771 HA ASP 98 HA ASP 98 5.941 12.580 -29.709 772 HB2 ASP 98 1HB ASP 98 6.456 14.781 -28.903 773 HB3 ASP 98 2HB ASP 98 5.259 14.005 -27.879 774 H ALA 99 H ALA 99 8.579 11.200 -28.058 775 HA ALA 99 HA ALA 99 10.207 11.437 -30.477 776 HB1 ALA 99 1HB ALA 99 12.256 12.071 -29.239 777 HB2 ALA 99 2HB ALA 99 11.026 13.346 -29.140 778 HB3 ALA 99 3HB ALA 99 11.303 12.269 -27.752 779 H LYS 100 H LYS 100 11.494 9.624 -30.809 780 HA LYS 100 HA LYS 100 11.826 7.553 -28.748 781 HB2 LYS 100 1HB LYS 100 9.507 7.194 -29.537 782 HB3 LYS 100 2HB LYS 100 10.076 7.062 -31.204 783 HG2 LYS 100 1HG LYS 100 11.308 5.021 -30.671 784 HG3 LYS 100 2HG LYS 100 10.936 5.200 -28.945 785 HD2 LYS 100 1HD LYS 100 8.538 4.897 -29.412 786 HD3 LYS 100 2HD LYS 100 8.858 4.754 -31.146 787 HE2 LYS 100 1HE LYS 100 10.065 2.916 -29.026 788 HE3 LYS 100 2HE LYS 100 8.548 2.559 -29.855 789 HZ1 LYS 100 1HZ LYS 100 9.697 2.413 -31.929 790 HZ2 LYS 100 2HZ LYS 100 10.578 1.515 -30.873 791 HZ3 LYS 100 3HZ LYS 100 11.097 2.989 -31.309 792 H LEU 101 H LEU 101 13.353 6.079 -29.169 793 HA LEU 101 HA LEU 101 14.474 5.649 -31.843 794 HB2 LEU 101 1HB LEU 101 15.941 7.411 -30.985 795 HB3 LEU 101 2HB LEU 101 16.144 6.546 -29.462 796 HG LEU 101 HG LEU 101 17.337 4.707 -30.658 797 HD11 LEU 101 1HD1 LEU 101 18.143 5.103 -32.967 798 HD12 LEU 101 2HD1 LEU 101 17.128 6.558 -33.077 799 HD13 LEU 101 3HD1 LEU 101 16.387 4.949 -32.929 800 HD21 LEU 101 1HD2 LEU 101 19.395 5.973 -31.096 801 HD22 LEU 101 2HD2 LEU 101 18.590 6.555 -29.631 802 HD23 LEU 101 3HD2 LEU 101 18.472 7.492 -31.138 803 H GLU 102 H GLU 102 14.626 3.472 -32.123 804 HA GLU 102 HA GLU 102 13.775 1.726 -30.004 805 HB2 GLU 102 1HB GLU 102 13.249 1.460 -32.439 806 HB3 GLU 102 2HB GLU 102 14.931 1.048 -32.736 807 HG2 GLU 102 1HG GLU 102 13.598 -0.968 -32.652 808 HG3 GLU 102 2HG GLU 102 14.727 -0.953 -31.304 809 H ALA 103 H ALA 103 16.937 2.023 -31.663 810 HA ALA 103 HA ALA 103 18.461 1.312 -29.309 811 HB1 ALA 103 1HB ALA 103 17.740 -0.966 -30.002 812 HB2 ALA 103 2HB ALA 103 18.350 -0.665 -31.644 813 HB3 ALA 103 3HB ALA 103 19.474 -0.753 -30.273 814 H LEU 104 H LEU 104 20.793 1.382 -29.729 815 HA LEU 104 HA LEU 104 21.640 3.194 -31.897 816 HB2 LEU 104 1HB LEU 104 23.225 1.697 -29.771 817 HB3 LEU 104 2HB LEU 104 23.895 2.883 -30.885 818 HG LEU 104 HG LEU 104 21.785 3.484 -28.761 819 HD11 LEU 104 1HD1 LEU 104 23.608 4.652 -27.602 820 HD12 LEU 104 2HD1 LEU 104 24.758 4.142 -28.860 821 HD13 LEU 104 3HD1 LEU 104 23.990 2.935 -27.805 822 HD21 LEU 104 1HD2 LEU 104 21.606 5.048 -30.657 823 HD22 LEU 104 2HD2 LEU 104 23.359 5.346 -30.599 824 HD23 LEU 104 3HD2 LEU 104 22.310 5.858 -29.256 825 H LYS 105 H LYS 105 23.259 2.610 -33.480 826 HA LYS 105 HA LYS 105 22.658 0.148 -34.814 827 HB2 LYS 105 1HB LYS 105 24.286 0.782 -36.467 828 HB3 LYS 105 2HB LYS 105 23.288 2.168 -36.039 829 HG2 LYS 105 1HG LYS 105 25.106 3.128 -34.695 830 HG3 LYS 105 2HG LYS 105 26.095 1.675 -34.945 831 HD2 LYS 105 1HD LYS 105 26.160 2.101 -37.376 832 HD3 LYS 105 2HD LYS 105 25.139 3.525 -37.165 833 HE2 LYS 105 1HE LYS 105 27.476 4.158 -37.452 834 HE3 LYS 105 2HE LYS 105 26.883 4.654 -35.866 835 HZ1 LYS 105 1HZ LYS 105 29.143 3.563 -35.917 836 HZ2 LYS 105 2HZ LYS 105 28.395 2.130 -36.262 837 HZ3 LYS 105 3HZ LYS 105 28.095 2.894 -34.853 838 H ASP 106 H ASP 106 23.768 -1.697 -35.214 839 HA ASP 106 HA ASP 106 25.984 -2.462 -33.393 840 HB2 ASP 106 1HB ASP 106 25.571 -4.728 -34.219 841 HB3 ASP 106 2HB ASP 106 24.150 -4.002 -33.486 842 H LEU 107 H LEU 107 25.481 -1.411 -36.653 843 HA LEU 107 HA LEU 107 27.801 -2.619 -37.880 844 HB2 LEU 107 1HB LEU 107 26.255 -0.121 -38.671 845 HB3 LEU 107 2HB LEU 107 27.391 -1.001 -39.688 846 HG LEU 107 HG LEU 107 24.711 -2.055 -38.681 847 HD11 LEU 107 1HD1 LEU 107 25.637 -1.236 -41.462 848 HD12 LEU 107 2HD1 LEU 107 24.534 -0.314 -40.415 849 HD13 LEU 107 3HD1 LEU 107 24.044 -1.899 -41.033 850 HD21 LEU 107 1HD2 LEU 107 26.754 -3.338 -40.548 851 HD22 LEU 107 2HD2 LEU 107 25.103 -3.936 -40.262 852 HD23 LEU 107 3HD2 LEU 107 26.275 -3.930 -38.942 853 H ALA 108 H ALA 108 29.792 -1.742 -38.416 854 HA ALA 108 HA ALA 108 30.987 0.121 -36.532 855 HB1 ALA 108 1HB ALA 108 32.053 -1.000 -39.157 856 HB2 ALA 108 2HB ALA 108 33.004 -0.188 -37.897 857 HB3 ALA 108 3HB ALA 108 32.240 -1.753 -37.557 858 H SER 109 H SER 109 31.780 2.217 -36.935 859 HA SER 109 HA SER 109 30.173 3.882 -38.688 860 HB2 SER 109 1HB SER 109 32.615 4.585 -37.025 861 HB3 SER 109 2HB SER 109 31.451 5.724 -37.730 862 HG SER 109 HG SER 109 31.020 5.234 -35.514 863 H LEU 110 H LEU 110 33.000 2.101 -39.310 864 HA LEU 110 HA LEU 110 34.249 3.847 -41.279 865 HB2 LEU 110 1HB LEU 110 34.480 0.840 -40.852 866 HB3 LEU 110 2HB LEU 110 35.535 1.815 -41.870 867 HG LEU 110 HG LEU 110 35.302 2.051 -38.835 868 HD11 LEU 110 1HD1 LEU 110 37.508 0.912 -40.600 869 HD12 LEU 110 2HD1 LEU 110 36.388 -0.029 -39.589 870 HD13 LEU 110 3HD1 LEU 110 37.552 1.068 -38.829 871 HD21 LEU 110 1HD2 LEU 110 35.936 4.219 -39.810 872 HD22 LEU 110 2HD2 LEU 110 37.188 3.431 -40.800 873 HD23 LEU 110 3HD2 LEU 110 37.332 3.474 -39.029 874 H SER 111 H SER 111 34.129 3.770 -43.496 875 HA SER 111 HA SER 111 31.657 3.066 -44.747 876 HB2 SER 111 1HB SER 111 33.195 4.886 -45.456 877 HB3 SER 111 2HB SER 111 34.372 3.673 -45.978 878 HG SER 111 HG SER 111 31.786 4.206 -47.048 879 H ARG 112 H ARG 112 34.510 1.168 -44.199 880 HA ARG 112 HA ARG 112 34.367 -0.727 -46.323 881 HB2 ARG 112 1HB ARG 112 36.317 -0.224 -44.831 882 HB3 ARG 112 2HB ARG 112 35.491 -1.050 -43.504 883 HG2 ARG 112 1HG ARG 112 35.579 -3.185 -44.767 884 HG3 ARG 112 2HG ARG 112 36.265 -2.339 -46.163 885 HD2 ARG 112 1HD ARG 112 38.044 -3.467 -45.010 886 HD3 ARG 112 2HD ARG 112 38.248 -1.721 -44.789 887 HE ARG 112 HE ARG 112 36.743 -2.897 -42.608 888 HH11 ARG 112 1HH1 ARG 112 40.047 -2.627 -43.737 889 HH12 ARG 112 2HH1 ARG 112 40.708 -2.823 -42.136 890 HH21 ARG 112 1HH2 ARG 112 37.650 -3.135 -40.593 891 HH22 ARG 112 2HH2 ARG 112 39.378 -3.106 -40.408 892 H ASP 113 H ASP 113 32.552 -0.620 -43.316 893 HA ASP 113 HA ASP 113 31.707 -3.433 -43.421 894 HB2 ASP 113 1HB ASP 113 32.174 -2.315 -41.295 895 HB3 ASP 113 2HB ASP 113 30.879 -1.160 -41.586 Start of MODEL 7 1 H1 GLY 0 1H GLY 0 -1.055 -16.299 -27.260 2 H2 GLY 0 2H GLY 0 -0.320 -16.775 -25.875 3 H3 GLY 0 3H GLY 0 0.346 -17.146 -27.323 4 HA2 GLY 0 1HA GLY 0 0.769 -14.829 -27.802 5 HA3 GLY 0 2HA GLY 0 0.033 -14.419 -26.241 6 H MET 1 H MET 1 2.628 -13.631 -26.932 7 HA MET 1 HA MET 1 4.639 -15.390 -25.839 8 HB2 MET 1 1HB MET 1 4.663 -12.407 -26.429 9 HB3 MET 1 2HB MET 1 6.082 -13.322 -25.934 10 HG2 MET 1 1HG MET 1 4.438 -13.829 -28.443 11 HG3 MET 1 2HG MET 1 5.976 -12.983 -28.379 12 HE1 MET 1 1HE MET 1 8.590 -15.780 -27.705 13 HE2 MET 1 2HE MET 1 8.311 -14.072 -28.107 14 HE3 MET 1 3HE MET 1 7.874 -14.694 -26.498 15 HA PRO 2 HA PRO 2 4.412 -14.526 -21.486 16 HB2 PRO 2 1HB PRO 2 7.411 -14.205 -21.536 17 HB3 PRO 2 2HB PRO 2 6.403 -15.204 -20.443 18 HG2 PRO 2 1HG PRO 2 7.737 -16.365 -22.489 19 HG3 PRO 2 2HG PRO 2 6.035 -16.835 -22.158 20 HD2 PRO 2 1HD PRO 2 7.071 -14.870 -24.225 21 HD3 PRO 2 2HD PRO 2 5.896 -16.207 -24.419 22 HA PRO 3 HA PRO 3 4.607 -10.137 -20.690 23 HB2 PRO 3 1HB PRO 3 5.734 -10.801 -17.968 24 HB3 PRO 3 2HB PRO 3 4.375 -9.712 -18.388 25 HG2 PRO 3 1HG PRO 3 3.870 -12.188 -17.430 26 HG3 PRO 3 2HG PRO 3 2.929 -11.569 -18.828 27 HD2 PRO 3 1HD PRO 3 5.325 -13.430 -18.854 28 HD3 PRO 3 2HD PRO 3 3.766 -13.575 -19.721 29 HA PRO 4 HA PRO 4 8.798 -8.847 -21.481 30 HB2 PRO 4 1HB PRO 4 8.750 -6.170 -20.951 31 HB3 PRO 4 2HB PRO 4 7.870 -6.903 -22.326 32 HG2 PRO 4 1HG PRO 4 6.766 -6.209 -19.578 33 HG3 PRO 4 2HG PRO 4 6.091 -5.771 -21.182 34 HD2 PRO 4 1HD PRO 4 5.188 -7.928 -19.803 35 HD3 PRO 4 2HD PRO 4 5.365 -7.989 -21.582 36 H ALA 5 H ALA 5 10.778 -8.358 -20.506 37 HA ALA 5 HA ALA 5 11.006 -9.010 -17.700 38 HB1 ALA 5 1HB ALA 5 13.128 -8.313 -19.769 39 HB2 ALA 5 2HB ALA 5 13.401 -9.099 -18.199 40 HB3 ALA 5 3HB ALA 5 12.475 -9.939 -19.453 41 H ASP 6 H ASP 6 9.655 -6.554 -17.895 42 HA ASP 6 HA ASP 6 11.461 -4.301 -17.417 43 HB2 ASP 6 1HB ASP 6 8.436 -4.497 -17.245 44 HB3 ASP 6 2HB ASP 6 9.383 -3.009 -17.180 45 H ILE 7 H ILE 7 12.148 -6.114 -15.542 46 HA ILE 7 HA ILE 7 10.963 -5.155 -12.972 47 HB ILE 7 HB ILE 7 11.751 -8.012 -13.588 48 HG12 ILE 7 1HG1 ILE 7 8.970 -6.766 -13.420 49 HG13 ILE 7 2HG1 ILE 7 9.724 -7.452 -14.855 50 HG21 ILE 7 1HG2 ILE 7 12.038 -7.372 -11.214 51 HG22 ILE 7 2HG2 ILE 7 10.352 -6.801 -11.161 52 HG23 ILE 7 3HG2 ILE 7 10.736 -8.520 -11.396 53 HD11 ILE 7 1HD1 ILE 7 9.757 -9.695 -13.731 54 HD12 ILE 7 2HD1 ILE 7 8.772 -8.985 -12.423 55 HD13 ILE 7 3HD1 ILE 7 8.145 -9.036 -14.074 56 H VAL 8 H VAL 8 12.341 -4.635 -11.386 57 HA VAL 8 HA VAL 8 15.259 -5.232 -11.655 58 HB VAL 8 HB VAL 8 15.694 -2.905 -10.868 59 HG11 VAL 8 1HG1 VAL 8 15.571 -1.905 -13.089 60 HG12 VAL 8 2HG1 VAL 8 16.025 -3.613 -13.220 61 HG13 VAL 8 3HG1 VAL 8 14.366 -3.103 -13.597 62 HG21 VAL 8 1HG2 VAL 8 12.819 -2.337 -11.687 63 HG22 VAL 8 2HG2 VAL 8 13.514 -2.182 -10.056 64 HG23 VAL 8 3HG2 VAL 8 14.068 -1.126 -11.359 65 H LYS 9 H LYS 9 16.297 -5.815 -9.848 66 HA LYS 9 HA LYS 9 14.821 -6.141 -7.342 67 HB2 LYS 9 1HB LYS 9 16.577 -7.725 -8.345 68 HB3 LYS 9 2HB LYS 9 17.792 -6.560 -7.801 69 HG2 LYS 9 1HG LYS 9 16.834 -6.812 -5.451 70 HG3 LYS 9 2HG LYS 9 15.789 -8.092 -6.069 71 HD2 LYS 9 1HD LYS 9 18.832 -8.056 -6.040 72 HD3 LYS 9 2HD LYS 9 17.809 -8.983 -4.955 73 HE2 LYS 9 1HE LYS 9 17.967 -9.400 -7.983 74 HE3 LYS 9 2HE LYS 9 18.895 -10.300 -6.786 75 HZ1 LYS 9 1HZ LYS 9 17.002 -11.589 -7.313 76 HZ2 LYS 9 2HZ LYS 9 15.939 -10.388 -7.131 77 HZ3 LYS 9 3HZ LYS 9 16.711 -11.014 -5.818 78 H VAL 10 H VAL 10 15.077 -5.037 -5.449 79 HA VAL 10 HA VAL 10 16.932 -2.718 -5.275 80 HB VAL 10 HB VAL 10 15.163 -1.253 -4.447 81 HG11 VAL 10 1HG1 VAL 10 14.375 -2.281 -7.200 82 HG12 VAL 10 2HG1 VAL 10 14.164 -0.651 -6.532 83 HG13 VAL 10 3HG1 VAL 10 15.788 -1.257 -6.881 84 HG21 VAL 10 1HG2 VAL 10 13.169 -3.389 -5.306 85 HG22 VAL 10 2HG2 VAL 10 13.525 -2.922 -3.630 86 HG23 VAL 10 3HG2 VAL 10 12.790 -1.755 -4.727 87 H ALA 11 H ALA 11 17.247 -1.925 -3.136 88 HA ALA 11 HA ALA 11 16.429 -3.789 -0.931 89 HB1 ALA 11 1HB ALA 11 18.525 -3.242 0.194 90 HB2 ALA 11 2HB ALA 11 18.847 -3.958 -1.398 91 HB3 ALA 11 3HB ALA 11 19.015 -2.204 -1.165 92 H ILE 12 H ILE 12 15.101 -2.860 0.512 93 HA ILE 12 HA ILE 12 14.784 0.098 0.464 94 HB ILE 12 HB ILE 12 12.803 -2.035 1.269 95 HG12 ILE 12 1HG1 ILE 12 12.794 -0.381 -1.289 96 HG13 ILE 12 2HG1 ILE 12 13.468 -2.007 -1.228 97 HG21 ILE 12 1HG2 ILE 12 12.426 0.216 2.348 98 HG22 ILE 12 2HG2 ILE 12 12.399 0.953 0.735 99 HG23 ILE 12 3HG2 ILE 12 11.147 -0.200 1.235 100 HD11 ILE 12 1HD1 ILE 12 11.203 -2.060 -2.058 101 HD12 ILE 12 2HD1 ILE 12 11.344 -2.942 -0.514 102 HD13 ILE 12 3HD1 ILE 12 10.609 -1.324 -0.563 103 H GLU 13 H GLU 13 15.344 1.232 2.135 104 HA GLU 13 HA GLU 13 15.995 0.096 4.762 105 HB2 GLU 13 1HB GLU 13 15.929 2.943 3.692 106 HB3 GLU 13 2HB GLU 13 16.419 2.500 5.336 107 HG2 GLU 13 1HG GLU 13 18.218 1.056 4.357 108 HG3 GLU 13 2HG GLU 13 17.799 1.672 2.752 109 H TRP 14 H TRP 14 14.933 0.342 6.678 110 HA TRP 14 HA TRP 14 12.739 2.202 7.024 111 HB2 TRP 14 1HB TRP 14 11.517 0.322 6.107 112 HB3 TRP 14 2HB TRP 14 12.269 -0.783 7.256 113 HD1 TRP 14 HD TRP 14 10.978 -1.233 9.381 114 HE1 TRP 14 1HE TRP 14 8.949 -0.238 10.601 115 HE3 TRP 14 3HE TRP 14 10.299 2.934 6.511 116 HZ2 TRP 14 2HZ TRP 14 7.282 2.116 10.390 117 HZ3 TRP 14 3HZ TRP 14 8.530 4.582 7.079 118 HH2 TRP 14 HH TRP 14 7.022 4.187 9.014 119 HA PRO 15 HA PRO 15 14.930 2.373 10.820 120 HB2 PRO 15 1HB PRO 15 12.377 3.183 12.200 121 HB3 PRO 15 2HB PRO 15 13.981 3.983 12.221 122 HG2 PRO 15 1HG PRO 15 12.009 4.983 10.668 123 HG3 PRO 15 2HG PRO 15 13.663 4.819 9.984 124 HD2 PRO 15 1HD PRO 15 11.330 2.900 9.730 125 HD3 PRO 15 2HD PRO 15 12.329 3.596 8.423 126 H GLY 16 H GLY 16 15.524 1.153 12.575 127 HA2 GLY 16 1HA GLY 16 15.534 -0.506 14.164 128 HA3 GLY 16 2HA GLY 16 13.770 -0.503 14.139 129 H ALA 17 H ALA 17 15.161 -1.146 11.040 130 HA ALA 17 HA ALA 17 15.101 -4.097 11.380 131 HB1 ALA 17 1HB ALA 17 13.452 -2.540 9.340 132 HB2 ALA 17 2HB ALA 17 13.568 -4.306 9.470 133 HB3 ALA 17 3HB ALA 17 12.807 -3.374 10.773 134 H TYR 18 H TYR 18 16.094 -5.289 9.713 135 HA TYR 18 HA TYR 18 18.318 -4.039 8.337 136 HB2 TYR 18 1HB TYR 18 17.116 -6.813 8.057 137 HB3 TYR 18 2HB TYR 18 18.655 -6.293 7.380 138 HD1 TYR 18 1HD TYR 18 17.030 -7.721 10.261 139 HD2 TYR 18 2HD TYR 18 20.481 -5.441 9.016 140 HE1 TYR 18 1HE TYR 18 18.202 -8.328 12.376 141 HE2 TYR 18 2HE TYR 18 21.647 -6.054 11.128 142 HH TYR 18 HH TYR 18 21.523 -7.190 13.114 143 HA PRO 19 HA PRO 19 16.297 -2.772 4.656 144 HB2 PRO 19 1HB PRO 19 18.583 -3.943 3.070 145 HB3 PRO 19 2HB PRO 19 17.832 -2.320 2.944 146 HG2 PRO 19 1HG PRO 19 20.170 -2.627 4.273 147 HG3 PRO 19 2HG PRO 19 18.876 -1.603 4.978 148 HD2 PRO 19 1HD PRO 19 19.569 -4.479 5.654 149 HD3 PRO 19 2HD PRO 19 19.252 -3.099 6.748 150 H LYS 20 H LYS 20 14.659 -3.547 3.460 151 HA LYS 20 HA LYS 20 14.270 -6.455 3.101 152 HB2 LYS 20 1HB LYS 20 12.377 -5.231 3.847 153 HB3 LYS 20 2HB LYS 20 12.550 -4.008 2.578 154 HG2 LYS 20 1HG LYS 20 11.877 -5.577 0.863 155 HG3 LYS 20 2HG LYS 20 11.907 -6.928 2.019 156 HD2 LYS 20 1HD LYS 20 10.023 -5.975 3.246 157 HD3 LYS 20 2HD LYS 20 10.090 -4.493 2.290 158 HE2 LYS 20 1HE LYS 20 8.243 -5.880 1.536 159 HE3 LYS 20 2HE LYS 20 9.442 -5.689 0.256 160 HZ1 LYS 20 1HZ LYS 20 8.632 -7.986 0.471 161 HZ2 LYS 20 2HZ LYS 20 9.206 -8.098 1.993 162 HZ3 LYS 20 3HZ LYS 20 10.242 -7.930 0.737 163 H LEU 21 H LEU 21 15.073 -7.500 1.416 164 HA LEU 21 HA LEU 21 15.596 -6.174 -1.170 165 HB2 LEU 21 1HB LEU 21 15.876 -9.033 -0.178 166 HB3 LEU 21 2HB LEU 21 16.157 -8.574 -1.853 167 HG LEU 21 HG LEU 21 17.687 -7.313 0.464 168 HD11 LEU 21 1HD1 LEU 21 19.530 -8.837 -0.127 169 HD12 LEU 21 2HD1 LEU 21 18.486 -9.658 -1.312 170 HD13 LEU 21 3HD1 LEU 21 18.108 -9.738 0.424 171 HD21 LEU 21 1HD2 LEU 21 18.270 -7.475 -2.532 172 HD22 LEU 21 2HD2 LEU 21 19.300 -6.710 -1.303 173 HD23 LEU 21 3HD2 LEU 21 17.712 -6.029 -1.672 174 H MET 22 H MET 22 14.188 -6.091 -2.818 175 HA MET 22 HA MET 22 12.228 -8.186 -3.259 176 HB2 MET 22 1HB MET 22 10.232 -6.967 -3.136 177 HB3 MET 22 2HB MET 22 11.050 -6.631 -1.622 178 HG2 MET 22 1HG MET 22 11.716 -4.440 -2.404 179 HG3 MET 22 2HG MET 22 11.041 -4.738 -4.009 180 HE1 MET 22 1HE MET 22 8.190 -6.049 -3.692 181 HE2 MET 22 2HE MET 22 7.219 -4.570 -3.555 182 HE3 MET 22 3HE MET 22 8.589 -4.627 -4.686 183 H GLU 23 H GLU 23 10.768 -7.386 -5.277 184 HA GLU 23 HA GLU 23 12.592 -6.067 -7.243 185 HB2 GLU 23 1HB GLU 23 11.062 -8.652 -7.472 186 HB3 GLU 23 2HB GLU 23 11.451 -7.693 -8.909 187 HG2 GLU 23 1HG GLU 23 13.785 -7.851 -8.571 188 HG3 GLU 23 2HG GLU 23 13.604 -8.379 -6.898 189 H ILE 24 H ILE 24 11.848 -4.424 -8.251 190 HA ILE 24 HA ILE 24 8.989 -3.640 -8.068 191 HB ILE 24 HB ILE 24 11.548 -2.158 -8.755 192 HG12 ILE 24 1HG1 ILE 24 9.428 -1.949 -6.572 193 HG13 ILE 24 2HG1 ILE 24 11.077 -2.520 -6.388 194 HG21 ILE 24 1HG2 ILE 24 9.850 -1.355 -10.356 195 HG22 ILE 24 2HG2 ILE 24 8.704 -1.097 -9.024 196 HG23 ILE 24 3HG2 ILE 24 10.189 -0.130 -9.156 197 HD11 ILE 24 1HD1 ILE 24 10.195 0.338 -6.925 198 HD12 ILE 24 2HD1 ILE 24 10.956 -0.321 -5.473 199 HD13 ILE 24 3HD1 ILE 24 11.890 -0.213 -6.978 200 H ASP 25 H ASP 25 7.712 -4.271 -9.594 201 HA ASP 25 HA ASP 25 8.623 -4.823 -12.364 202 HB2 ASP 25 1HB ASP 25 7.197 -6.444 -11.243 203 HB3 ASP 25 2HB ASP 25 5.996 -5.209 -10.890 204 H GLN 26 H GLN 26 8.724 -3.138 -13.714 205 HA GLN 26 HA GLN 26 7.552 -0.596 -13.037 206 HB2 GLN 26 1HB GLN 26 8.949 -1.485 -15.557 207 HB3 GLN 26 2HB GLN 26 8.531 0.180 -15.180 208 HG2 GLN 26 1HG GLN 26 10.388 -1.510 -13.429 209 HG3 GLN 26 2HG GLN 26 10.925 -0.493 -14.750 210 HE21 GLN 26 1HE2 GLN 26 12.237 0.698 -13.188 211 HE22 GLN 26 2HE2 GLN 26 11.452 1.966 -12.257 212 H LYS 27 H LYS 27 6.118 -3.265 -14.615 213 HA LYS 27 HA LYS 27 4.026 -1.581 -15.923 214 HB2 LYS 27 1HB LYS 27 4.537 -4.581 -15.840 215 HB3 LYS 27 2HB LYS 27 3.078 -3.884 -16.516 216 HG2 LYS 27 1HG LYS 27 5.887 -3.250 -17.529 217 HG3 LYS 27 2HG LYS 27 4.796 -4.460 -18.214 218 HD2 LYS 27 1HD LYS 27 3.080 -2.613 -18.542 219 HD3 LYS 27 2HD LYS 27 4.335 -1.443 -18.131 220 HE2 LYS 27 1HE LYS 27 4.510 -3.469 -20.412 221 HE3 LYS 27 2HE LYS 27 3.935 -1.810 -20.588 222 HZ1 LYS 27 1HZ LYS 27 6.689 -2.626 -19.810 223 HZ2 LYS 27 2HZ LYS 27 6.150 -1.072 -19.766 224 HZ3 LYS 27 3HZ LYS 27 6.234 -1.885 -21.178 225 H LYS 28 H LYS 28 4.559 -2.976 -12.813 226 HA LYS 28 HA LYS 28 1.685 -3.160 -12.143 227 HB2 LYS 28 1HB LYS 28 4.252 -3.545 -10.559 228 HB3 LYS 28 2HB LYS 28 2.702 -3.321 -9.739 229 HG2 LYS 28 1HG LYS 28 1.734 -5.211 -11.021 230 HG3 LYS 28 2HG LYS 28 3.310 -5.485 -11.774 231 HD2 LYS 28 1HD LYS 28 4.282 -5.853 -9.448 232 HD3 LYS 28 2HD LYS 28 2.657 -5.611 -8.791 233 HE2 LYS 28 1HE LYS 28 2.865 -7.945 -8.921 234 HE3 LYS 28 2HE LYS 28 1.860 -7.489 -10.295 235 HZ1 LYS 28 1HZ LYS 28 4.740 -8.233 -10.347 236 HZ2 LYS 28 2HZ LYS 28 4.030 -7.563 -11.649 237 HZ3 LYS 28 3HZ LYS 28 3.517 -9.017 -11.084 238 HA PRO 29 HA PRO 29 1.300 1.098 -10.721 239 HB2 PRO 29 1HB PRO 29 -0.656 0.798 -8.801 240 HB3 PRO 29 2HB PRO 29 -0.992 0.759 -10.554 241 HG2 PRO 29 1HG PRO 29 -0.656 -1.559 -8.672 242 HG3 PRO 29 2HG PRO 29 -1.891 -1.336 -9.945 243 HD2 PRO 29 1HD PRO 29 0.350 -2.863 -10.291 244 HD3 PRO 29 2HD PRO 29 -0.379 -1.948 -11.641 245 H LEU 30 H LEU 30 2.136 2.338 -9.077 246 HA LEU 30 HA LEU 30 3.995 1.102 -7.275 247 HB2 LEU 30 1HB LEU 30 2.914 3.916 -7.576 248 HB3 LEU 30 2HB LEU 30 4.080 3.504 -6.316 249 HG LEU 30 HG LEU 30 4.624 2.883 -9.246 250 HD11 LEU 30 1HD1 LEU 30 4.218 5.267 -9.074 251 HD12 LEU 30 2HD1 LEU 30 5.946 4.956 -9.325 252 HD13 LEU 30 3HD1 LEU 30 5.348 5.397 -7.706 253 HD21 LEU 30 1HD2 LEU 30 6.982 2.929 -8.521 254 HD22 LEU 30 2HD2 LEU 30 6.080 1.722 -7.603 255 HD23 LEU 30 3HD2 LEU 30 6.476 3.281 -6.854 256 H SER 31 H SER 31 0.599 2.005 -6.787 257 HA SER 31 HA SER 31 0.513 1.699 -3.953 258 HB2 SER 31 1HB SER 31 -1.364 2.578 -5.233 259 HB3 SER 31 2HB SER 31 -1.582 1.017 -6.046 260 HG SER 31 HG SER 31 -3.011 1.331 -4.263 261 H ALA 32 H ALA 32 0.227 -0.844 -6.520 262 HA ALA 32 HA ALA 32 -0.137 -3.035 -4.692 263 HB1 ALA 32 1HB ALA 32 0.975 -2.954 -7.545 264 HB2 ALA 32 2HB ALA 32 0.505 -4.425 -6.680 265 HB3 ALA 32 3HB ALA 32 -0.720 -3.204 -7.071 266 H ILE 33 H ILE 33 2.812 -1.625 -6.170 267 HA ILE 33 HA ILE 33 4.675 -3.453 -4.968 268 HB ILE 33 HB ILE 33 4.994 -0.589 -5.946 269 HG12 ILE 33 1HG1 ILE 33 5.913 -3.119 -7.355 270 HG13 ILE 33 2HG1 ILE 33 4.275 -2.543 -7.579 271 HG21 ILE 33 1HG2 ILE 33 6.838 -1.169 -4.386 272 HG22 ILE 33 2HG2 ILE 33 7.155 -2.654 -5.302 273 HG23 ILE 33 3HG2 ILE 33 7.421 -1.053 -6.036 274 HD11 ILE 33 1HD1 ILE 33 6.685 -0.799 -8.158 275 HD12 ILE 33 2HD1 ILE 33 5.818 -1.783 -9.353 276 HD13 ILE 33 3HD1 ILE 33 4.984 -0.463 -8.524 277 H ILE 34 H ILE 34 3.582 -0.184 -3.856 278 HA ILE 34 HA ILE 34 5.127 -0.177 -1.459 279 HB ILE 34 HB ILE 34 2.597 1.286 -2.253 280 HG12 ILE 34 1HG1 ILE 34 5.411 2.413 -1.881 281 HG13 ILE 34 2HG1 ILE 34 4.934 1.684 -3.405 282 HG21 ILE 34 1HG2 ILE 34 3.054 2.832 -0.346 283 HG22 ILE 34 2HG2 ILE 34 2.640 1.225 0.208 284 HG23 ILE 34 3HG2 ILE 34 4.336 1.739 0.220 285 HD11 ILE 34 1HD1 ILE 34 4.656 4.093 -3.526 286 HD12 ILE 34 2HD1 ILE 34 3.076 3.297 -3.651 287 HD13 ILE 34 3HD1 ILE 34 3.551 4.077 -2.139 288 H LYS 35 H LYS 35 1.837 -1.499 -2.080 289 HA LYS 35 HA LYS 35 1.306 -2.366 0.587 290 HB2 LYS 35 1HB LYS 35 -0.283 -2.335 -1.397 291 HB3 LYS 35 2HB LYS 35 0.495 -3.815 -1.963 292 HG2 LYS 35 1HG LYS 35 -0.135 -4.960 0.141 293 HG3 LYS 35 2HG LYS 35 -0.837 -3.452 0.759 294 HD2 LYS 35 1HD LYS 35 -2.471 -3.454 -1.121 295 HD3 LYS 35 2HD LYS 35 -1.779 -4.985 -1.706 296 HE2 LYS 35 1HE LYS 35 -2.345 -6.056 0.471 297 HE3 LYS 35 2HE LYS 35 -3.040 -4.532 1.039 298 HZ1 LYS 35 1HZ LYS 35 -4.755 -6.021 0.178 299 HZ2 LYS 35 2HZ LYS 35 -4.038 -6.097 -1.285 300 HZ3 LYS 35 3HZ LYS 35 -4.682 -4.688 -0.759 301 H GLU 36 H GLU 36 3.153 -4.020 -2.022 302 HA GLU 36 HA GLU 36 3.802 -6.348 -0.451 303 HB2 GLU 36 1HB GLU 36 4.807 -5.080 -3.022 304 HB3 GLU 36 2HB GLU 36 5.623 -6.443 -2.330 305 HG2 GLU 36 1HG GLU 36 2.689 -6.344 -3.145 306 HG3 GLU 36 2HG GLU 36 3.990 -7.070 -4.081 307 H VAL 37 H VAL 37 5.318 -3.116 -0.683 308 HA VAL 37 HA VAL 37 7.662 -3.864 0.850 309 HB VAL 37 HB VAL 37 6.414 -1.095 0.878 310 HG11 VAL 37 1HG1 VAL 37 8.738 -0.436 1.391 311 HG12 VAL 37 2HG1 VAL 37 8.138 -1.592 2.590 312 HG13 VAL 37 3HG1 VAL 37 9.248 -2.134 1.329 313 HG21 VAL 37 1HG2 VAL 37 6.877 -1.680 -1.488 314 HG22 VAL 37 2HG2 VAL 37 7.959 -0.442 -0.876 315 HG23 VAL 37 3HG2 VAL 37 8.524 -2.118 -1.045 316 H CYS 38 H CYS 38 4.619 -2.193 1.837 317 HA CYS 38 HA CYS 38 5.201 -2.079 4.581 318 HB2 CYS 38 1HB CYS 38 2.530 -2.107 3.112 319 HB3 CYS 38 2HB CYS 38 2.708 -1.675 4.804 320 HG CYS 38 HG CYS 38 4.215 0.370 4.539 321 H ASP 39 H ASP 39 3.392 -4.662 2.834 322 HA ASP 39 HA ASP 39 2.692 -6.202 5.114 323 HB2 ASP 39 1HB ASP 39 1.808 -6.468 2.796 324 HB3 ASP 39 2HB ASP 39 3.362 -7.145 2.296 325 H GLY 40 H GLY 40 5.805 -5.911 3.469 326 HA2 GLY 40 1HA GLY 40 7.115 -8.258 4.487 327 HA3 GLY 40 2HA GLY 40 7.878 -6.768 3.912 328 H TRP 41 H TRP 41 6.399 -5.136 5.975 329 HA TRP 41 HA TRP 41 7.754 -6.011 8.491 330 HB2 TRP 41 1HB TRP 41 7.282 -3.226 7.392 331 HB3 TRP 41 2HB TRP 41 7.848 -3.564 9.019 332 HD1 TRP 41 HD TRP 41 10.142 -5.394 8.889 333 HE1 TRP 41 1HE TRP 41 12.309 -4.959 7.583 334 HE3 TRP 41 3HE TRP 41 8.386 -1.959 5.515 335 HZ2 TRP 41 2HZ TRP 41 13.183 -3.305 5.400 336 HZ3 TRP 41 3HZ TRP 41 9.942 -0.939 3.858 337 HH2 TRP 41 HH TRP 41 12.311 -1.606 3.786 338 H SER 42 H SER 42 4.915 -6.462 7.342 339 HA SER 42 HA SER 42 2.768 -6.531 8.015 340 HB2 SER 42 1HB SER 42 3.918 -6.492 10.824 341 HB3 SER 42 2HB SER 42 2.301 -7.035 10.354 342 HG SER 42 HG SER 42 4.797 -8.180 9.598 343 H LEU 43 H LEU 43 3.784 -3.843 7.523 344 HA LEU 43 HA LEU 43 2.529 -1.998 9.405 345 HB2 LEU 43 1HB LEU 43 3.812 -1.739 6.675 346 HB3 LEU 43 2HB LEU 43 3.084 -0.360 7.464 347 HG LEU 43 HG LEU 43 5.312 -2.047 8.714 348 HD11 LEU 43 1HD1 LEU 43 6.081 -1.022 6.613 349 HD12 LEU 43 2HD1 LEU 43 6.852 -0.278 8.016 350 HD13 LEU 43 3HD1 LEU 43 5.532 0.571 7.185 351 HD21 LEU 43 1HD2 LEU 43 4.050 -0.700 10.362 352 HD22 LEU 43 2HD2 LEU 43 4.280 0.753 9.362 353 HD23 LEU 43 3HD2 LEU 43 5.672 -0.042 10.125 354 H ALA 44 H ALA 44 0.484 -1.396 9.480 355 HA ALA 44 HA ALA 44 -1.502 -2.311 7.573 356 HB1 ALA 44 1HB ALA 44 -3.069 -1.166 9.096 357 HB2 ALA 44 2HB ALA 44 -1.941 -2.195 9.999 358 HB3 ALA 44 3HB ALA 44 -1.708 -0.430 9.966 359 H ASN 45 H ASN 45 -2.962 -0.992 6.444 360 HA ASN 45 HA ASN 45 -3.494 0.512 4.818 361 HB2 ASN 45 1HB ASN 45 -2.865 2.377 7.127 362 HB3 ASN 45 2HB ASN 45 -3.805 2.807 5.701 363 HD21 ASN 45 1HD2 ASN 45 -5.054 3.190 8.060 364 HD22 ASN 45 2HD2 ASN 45 -6.261 1.933 8.304 365 H HIS 46 H HIS 46 -1.653 -0.167 3.475 366 HA HIS 46 HA HIS 46 0.797 1.262 3.313 367 HB2 HIS 46 1HB HIS 46 1.121 0.011 1.342 368 HB3 HIS 46 2HB HIS 46 0.172 -1.037 2.385 369 HD2 HIS 46 2HD HIS 46 0.137 0.786 -0.896 370 HE1 HIS 46 1HE HIS 46 -3.810 -0.771 -0.578 371 HE2 HIS 46 2HE HIS 46 -2.140 0.364 -2.150 372 H GLU 47 H GLU 47 -2.380 2.153 2.278 373 HA GLU 47 HA GLU 47 -2.022 4.084 0.271 374 HB2 GLU 47 1HB GLU 47 -3.769 4.284 2.763 375 HB3 GLU 47 2HB GLU 47 -4.016 5.160 1.262 376 HG2 GLU 47 1HG GLU 47 -4.273 2.148 1.651 377 HG3 GLU 47 2HG GLU 47 -5.591 3.306 1.582 378 H TYR 48 H TYR 48 -1.112 4.291 3.713 379 HA TYR 48 HA TYR 48 -0.706 7.172 3.723 380 HB2 TYR 48 1HB TYR 48 0.480 5.068 5.549 381 HB3 TYR 48 2HB TYR 48 0.400 6.789 5.855 382 HD1 TYR 48 1HD TYR 48 -0.252 5.328 7.985 383 HD2 TYR 48 2HD TYR 48 -2.851 6.171 4.638 384 HE1 TYR 48 1HE TYR 48 -2.222 4.971 9.430 385 HE2 TYR 48 2HE TYR 48 -4.825 5.725 6.065 386 HH TYR 48 HH TYR 48 -4.546 5.136 9.574 387 H PHE 49 H PHE 49 1.161 4.605 2.372 388 HA PHE 49 HA PHE 49 3.754 5.910 2.981 389 HB2 PHE 49 1HB PHE 49 2.986 3.080 2.264 390 HB3 PHE 49 2HB PHE 49 4.643 3.652 2.262 391 HD1 PHE 49 1HD PHE 49 5.884 3.989 4.280 392 HD2 PHE 49 2HD PHE 49 1.662 3.106 4.448 393 HE1 PHE 49 1HE PHE 49 6.017 3.751 6.741 394 HE2 PHE 49 2HE PHE 49 1.815 2.826 6.905 395 HZ PHE 49 HZ PHE 49 3.997 3.153 8.062 396 H ALA 50 H ALA 50 5.446 5.896 1.551 397 HA ALA 50 HA ALA 50 5.004 5.542 -1.330 398 HB1 ALA 50 1HB ALA 50 6.071 8.120 -0.090 399 HB2 ALA 50 2HB ALA 50 6.115 7.717 -1.818 400 HB3 ALA 50 3HB ALA 50 4.555 7.936 -1.008 401 H LEU 51 H LEU 51 6.925 5.084 -2.443 402 HA LEU 51 HA LEU 51 9.271 4.271 -0.815 403 HB2 LEU 51 1HB LEU 51 8.393 3.913 -3.690 404 HB3 LEU 51 2HB LEU 51 10.103 3.777 -3.291 405 HG LEU 51 HG LEU 51 7.975 2.136 -1.858 406 HD11 LEU 51 1HD1 LEU 51 7.903 1.600 -4.252 407 HD12 LEU 51 2HD1 LEU 51 8.662 0.278 -3.350 408 HD13 LEU 51 3HD1 LEU 51 9.669 1.406 -4.283 409 HD21 LEU 51 1HD2 LEU 51 10.146 2.298 -0.668 410 HD22 LEU 51 2HD2 LEU 51 11.004 1.832 -2.154 411 HD23 LEU 51 3HD2 LEU 51 9.930 0.686 -1.343 412 H GLN 52 H GLN 52 11.316 5.181 -1.139 413 HA GLN 52 HA GLN 52 11.523 7.794 -2.530 414 HB2 GLN 52 1HB GLN 52 10.684 8.235 -0.283 415 HB3 GLN 52 2HB GLN 52 11.956 7.247 0.434 416 HG2 GLN 52 1HG GLN 52 13.652 8.898 -0.319 417 HG3 GLN 52 2HG GLN 52 12.367 9.846 -1.079 418 HE21 GLN 52 1HE2 GLN 52 12.016 11.656 0.183 419 HE22 GLN 52 2HE2 GLN 52 11.814 11.595 1.931 420 H HIS 53 H HIS 53 13.645 8.375 -3.086 421 HA HIS 53 HA HIS 53 15.637 6.229 -3.284 422 HB2 HIS 53 1HB HIS 53 15.572 9.147 -4.049 423 HB3 HIS 53 2HB HIS 53 17.114 8.309 -3.935 424 HD2 HIS 53 2HD HIS 53 14.095 8.592 -6.215 425 HE1 HIS 53 1HE HIS 53 16.587 5.596 -7.940 426 HE2 HIS 53 2HE HIS 53 14.551 7.083 -8.322 427 H ALA 54 H ALA 54 17.297 5.717 -1.954 428 HA ALA 54 HA ALA 54 17.223 6.771 0.720 429 HB1 ALA 54 1HB ALA 54 18.985 5.101 1.132 430 HB2 ALA 54 2HB ALA 54 17.648 4.417 0.195 431 HB3 ALA 54 3HB ALA 54 19.174 4.857 -0.616 432 H ASP 55 H ASP 55 19.074 7.746 -2.041 433 HA ASP 55 HA ASP 55 21.377 8.849 -0.731 434 HB2 ASP 55 1HB ASP 55 21.042 8.244 -3.195 435 HB3 ASP 55 2HB ASP 55 20.124 9.742 -3.354 436 H SER 56 H SER 56 21.880 11.266 -0.837 437 HA SER 56 HA SER 56 20.227 12.628 1.028 438 HB2 SER 56 1HB SER 56 21.757 14.495 0.739 439 HB3 SER 56 2HB SER 56 22.649 12.967 0.814 440 HG SER 56 HG SER 56 23.400 14.319 -0.883 441 H SER 57 H SER 57 19.864 12.519 -2.404 442 HA SER 57 HA SER 57 18.431 14.961 -2.895 443 HB2 SER 57 1HB SER 57 17.574 13.729 -4.848 444 HB3 SER 57 2HB SER 57 19.330 13.563 -4.688 445 HG SER 57 HG SER 57 18.331 11.553 -5.128 446 H ASN 58 H ASN 58 17.470 11.847 -1.492 447 HA ASN 58 HA ASN 58 15.531 11.021 -0.679 448 HB2 ASN 58 1HB ASN 58 15.443 13.892 0.303 449 HB3 ASN 58 2HB ASN 58 14.341 12.654 0.879 450 HD21 ASN 58 1HD2 ASN 58 17.596 13.872 1.175 451 HD22 ASN 58 2HD2 ASN 58 18.041 12.713 2.421 452 H PHE 59 H PHE 59 15.216 11.782 -3.479 453 HA PHE 59 HA PHE 59 12.660 12.978 -3.936 454 HB2 PHE 59 1HB PHE 59 14.104 10.894 -5.610 455 HB3 PHE 59 2HB PHE 59 12.797 11.928 -6.158 456 HD1 PHE 59 1HD PHE 59 15.676 11.463 -7.264 457 HD2 PHE 59 2HD PHE 59 13.869 14.597 -4.906 458 HE1 PHE 59 1HE PHE 59 17.280 13.111 -8.210 459 HE2 PHE 59 2HE PHE 59 15.471 16.229 -5.851 460 HZ PHE 59 HZ PHE 59 17.175 15.497 -7.510 461 H TYR 60 H TYR 60 10.620 12.236 -3.632 462 HA TYR 60 HA TYR 60 10.012 9.505 -2.853 463 HB2 TYR 60 1HB TYR 60 8.191 11.717 -3.868 464 HB3 TYR 60 2HB TYR 60 7.659 10.187 -3.192 465 HD1 TYR 60 1HD TYR 60 8.599 13.580 -2.430 466 HD2 TYR 60 2HD TYR 60 8.290 9.606 -0.770 467 HE1 TYR 60 1HE TYR 60 8.564 14.543 -0.137 468 HE2 TYR 60 2HE TYR 60 8.243 10.584 1.529 469 HH TYR 60 HH TYR 60 8.466 14.111 2.109 470 H ILE 61 H ILE 61 9.181 7.837 -4.114 471 HA ILE 61 HA ILE 61 9.686 7.934 -7.001 472 HB ILE 61 HB ILE 61 8.588 5.713 -5.261 473 HG12 ILE 61 1HG1 ILE 61 10.842 6.141 -4.559 474 HG13 ILE 61 2HG1 ILE 61 10.840 4.685 -5.530 475 HG21 ILE 61 1HG2 ILE 61 7.884 5.368 -7.564 476 HG22 ILE 61 2HG2 ILE 61 9.528 5.661 -8.158 477 HG23 ILE 61 3HG2 ILE 61 9.163 4.226 -7.170 478 HD11 ILE 61 1HD1 ILE 61 11.717 6.068 -7.479 479 HD12 ILE 61 2HD1 ILE 61 11.842 7.443 -6.358 480 HD13 ILE 61 3HD1 ILE 61 12.788 5.976 -6.071 481 H THR 62 H THR 62 8.265 8.239 -8.569 482 HA THR 62 HA THR 62 5.325 8.139 -8.077 483 HB THR 62 HB THR 62 4.932 10.221 -9.112 484 HG1 THR 62 1HG THR 62 6.699 11.508 -9.870 485 HG21 THR 62 1HG2 THR 62 5.969 11.886 -7.720 486 HG22 THR 62 2HG2 THR 62 7.323 10.808 -7.325 487 HG23 THR 62 3HG2 THR 62 5.685 10.444 -6.732 488 H GLU 63 H GLU 63 4.068 8.189 -10.097 489 HA GLU 63 HA GLU 63 5.010 6.355 -12.077 490 HB2 GLU 63 1HB GLU 63 2.636 8.264 -12.213 491 HB3 GLU 63 2HB GLU 63 2.920 6.840 -13.201 492 HG2 GLU 63 1HG GLU 63 1.422 6.028 -11.664 493 HG3 GLU 63 2HG GLU 63 2.951 5.464 -11.038 494 H LYS 64 H LYS 64 5.868 9.585 -11.736 495 HA LYS 64 HA LYS 64 6.520 9.914 -14.631 496 HB2 LYS 64 1HB LYS 64 5.038 11.581 -13.315 497 HB3 LYS 64 2HB LYS 64 6.535 12.115 -12.545 498 HG2 LYS 64 1HG LYS 64 7.451 12.759 -14.747 499 HG3 LYS 64 2HG LYS 64 6.049 12.037 -15.563 500 HD2 LYS 64 1HD LYS 64 4.570 13.677 -14.368 501 HD3 LYS 64 2HD LYS 64 6.019 14.441 -13.682 502 HE2 LYS 64 1HE LYS 64 6.849 14.949 -15.951 503 HE3 LYS 64 2HE LYS 64 5.480 14.092 -16.666 504 HZ1 LYS 64 1HZ LYS 64 5.035 16.452 -16.644 505 HZ2 LYS 64 2HZ LYS 64 5.293 16.566 -15.032 506 HZ3 LYS 64 3HZ LYS 64 4.001 15.743 -15.604 507 H ASN 65 H ASN 65 8.046 9.054 -11.693 508 HA ASN 65 HA ASN 65 10.687 9.535 -13.002 509 HB2 ASN 65 1HB ASN 65 11.689 10.391 -11.049 510 HB3 ASN 65 2HB ASN 65 10.216 11.310 -11.316 511 HD21 ASN 65 1HD2 ASN 65 10.455 11.947 -9.022 512 HD22 ASN 65 2HD2 ASN 65 9.953 10.801 -7.775 513 H ARG 66 H ARG 66 8.738 7.146 -11.596 514 HA ARG 66 HA ARG 66 10.522 5.412 -10.357 515 HB2 ARG 66 1HB ARG 66 8.980 3.628 -10.927 516 HB3 ARG 66 2HB ARG 66 8.103 5.078 -10.457 517 HG2 ARG 66 1HG ARG 66 7.750 5.614 -12.911 518 HG3 ARG 66 2HG ARG 66 8.529 4.080 -13.323 519 HD2 ARG 66 1HD ARG 66 6.006 4.409 -11.662 520 HD3 ARG 66 2HD ARG 66 6.077 3.937 -13.372 521 HE ARG 66 HE ARG 66 7.711 2.110 -11.991 522 HH11 ARG 66 1HH1 ARG 66 4.285 2.793 -12.360 523 HH12 ARG 66 2HH1 ARG 66 3.868 1.178 -11.804 524 HH21 ARG 66 1HH2 ARG 66 7.017 0.173 -11.129 525 HH22 ARG 66 2HH2 ARG 66 5.311 -0.219 -11.192 526 H ASN 67 H ASN 67 10.492 6.118 -13.750 527 HA ASN 67 HA ASN 67 11.879 3.837 -14.779 528 HB2 ASN 67 1HB ASN 67 12.239 5.233 -16.713 529 HB3 ASN 67 2HB ASN 67 10.634 5.617 -16.100 530 HD21 ASN 67 1HD2 ASN 67 13.735 6.884 -16.897 531 HD22 ASN 67 2HD2 ASN 67 13.599 8.435 -16.086 532 H GLU 68 H GLU 68 13.041 6.535 -12.829 533 HA GLU 68 HA GLU 68 15.849 6.281 -13.563 534 HB2 GLU 68 1HB GLU 68 14.565 7.553 -11.120 535 HB3 GLU 68 2HB GLU 68 16.227 7.762 -11.646 536 HG2 GLU 68 1HG GLU 68 13.722 8.742 -13.065 537 HG3 GLU 68 2HG GLU 68 14.942 9.708 -12.253 538 H ILE 69 H ILE 69 13.798 4.317 -11.595 539 HA ILE 69 HA ILE 69 15.857 3.295 -9.797 540 HB ILE 69 HB ILE 69 13.183 2.108 -10.624 541 HG12 ILE 69 1HG1 ILE 69 13.878 3.666 -8.086 542 HG13 ILE 69 2HG1 ILE 69 13.005 4.348 -9.457 543 HG21 ILE 69 1HG2 ILE 69 14.810 0.428 -9.716 544 HG22 ILE 69 2HG2 ILE 69 14.965 1.416 -8.251 545 HG23 ILE 69 3HG2 ILE 69 13.419 0.650 -8.677 546 HD11 ILE 69 1HD1 ILE 69 12.024 2.101 -7.672 547 HD12 ILE 69 2HD1 ILE 69 11.395 3.739 -7.806 548 HD13 ILE 69 3HD1 ILE 69 11.215 2.624 -9.173 549 H LYS 70 H LYS 70 17.315 1.814 -10.228 550 HA LYS 70 HA LYS 70 17.081 0.024 -12.609 551 HB2 LYS 70 1HB LYS 70 19.481 0.196 -12.965 552 HB3 LYS 70 2HB LYS 70 18.735 1.790 -13.050 553 HG2 LYS 70 1HG LYS 70 19.513 2.296 -10.746 554 HG3 LYS 70 2HG LYS 70 20.235 0.680 -10.627 555 HD2 LYS 70 1HD LYS 70 21.738 1.210 -12.528 556 HD3 LYS 70 2HD LYS 70 21.012 2.829 -12.645 557 HE2 LYS 70 1HE LYS 70 21.726 3.312 -10.311 558 HE3 LYS 70 2HE LYS 70 22.449 1.702 -10.197 559 HZ1 LYS 70 1HZ LYS 70 24.113 3.380 -10.759 560 HZ2 LYS 70 2HZ LYS 70 23.302 3.819 -12.104 561 HZ3 LYS 70 3HZ LYS 70 23.971 2.331 -11.998 562 H ASN 71 H ASN 71 18.566 -1.926 -12.420 563 HA ASN 71 HA ASN 71 17.841 -3.420 -10.090 564 HB2 ASN 71 1HB ASN 71 18.358 -4.297 -12.427 565 HB3 ASN 71 2HB ASN 71 20.070 -4.061 -12.071 566 HD21 ASN 71 1HD2 ASN 71 21.102 -5.753 -10.958 567 HD22 ASN 71 2HD2 ASN 71 20.220 -7.085 -10.227 568 H GLY 72 H GLY 72 18.675 -3.438 -8.121 569 HA2 GLY 72 1HA GLY 72 20.316 -3.485 -6.441 570 HA3 GLY 72 2HA GLY 72 21.520 -2.828 -7.546 571 H THR 73 H THR 73 18.545 -1.014 -7.594 572 HA THR 73 HA THR 73 19.781 1.326 -6.418 573 HB THR 73 HB THR 73 16.832 0.804 -6.927 574 HG1 THR 73 1HG THR 73 18.040 0.715 -8.771 575 HG21 THR 73 1HG2 THR 73 16.630 3.267 -7.033 576 HG22 THR 73 2HG2 THR 73 18.323 3.439 -6.527 577 HG23 THR 73 3HG2 THR 73 17.118 2.750 -5.420 578 H ILE 74 H ILE 74 19.905 2.008 -4.337 579 HA ILE 74 HA ILE 74 18.466 0.526 -2.225 580 HB ILE 74 HB ILE 74 20.389 2.834 -1.885 581 HG12 ILE 74 1HG1 ILE 74 20.983 -0.156 -1.609 582 HG13 ILE 74 2HG1 ILE 74 21.465 0.815 -2.998 583 HG21 ILE 74 1HG2 ILE 74 18.772 2.342 0.022 584 HG22 ILE 74 2HG2 ILE 74 19.417 0.702 0.090 585 HG23 ILE 74 3HG2 ILE 74 20.454 2.096 0.460 586 HD11 ILE 74 1HD1 ILE 74 22.795 2.301 -1.534 587 HD12 ILE 74 2HD1 ILE 74 22.453 1.214 -0.161 588 HD13 ILE 74 3HD1 ILE 74 23.356 0.618 -1.563 589 H LEU 75 H LEU 75 16.597 1.140 -1.513 590 HA LEU 75 HA LEU 75 15.554 3.917 -1.906 591 HB2 LEU 75 1HB LEU 75 14.080 1.266 -2.058 592 HB3 LEU 75 2HB LEU 75 13.309 2.847 -2.138 593 HG LEU 75 HG LEU 75 15.256 1.726 -4.200 594 HD11 LEU 75 1HD1 LEU 75 13.293 1.563 -5.629 595 HD12 LEU 75 2HD1 LEU 75 12.252 2.207 -4.342 596 HD13 LEU 75 3HD1 LEU 75 13.035 0.622 -4.151 597 HD21 LEU 75 1HD2 LEU 75 15.412 4.166 -4.176 598 HD22 LEU 75 2HD2 LEU 75 13.639 4.318 -4.157 599 HD23 LEU 75 3HD2 LEU 75 14.474 3.666 -5.583 600 H ARG 76 H ARG 76 13.589 4.195 -0.405 601 HA ARG 76 HA ARG 76 13.899 3.003 2.303 602 HB2 ARG 76 1HB ARG 76 15.303 5.059 2.043 603 HB3 ARG 76 2HB ARG 76 13.856 5.987 1.638 604 HG2 ARG 76 1HG ARG 76 12.906 5.542 3.861 605 HG3 ARG 76 2HG ARG 76 14.266 4.485 4.258 606 HD2 ARG 76 1HD ARG 76 14.386 7.478 3.705 607 HD3 ARG 76 2HD ARG 76 14.500 6.716 5.292 608 HE ARG 76 HE ARG 76 16.618 5.563 4.410 609 HH11 ARG 76 1HH1 ARG 76 15.762 8.717 3.054 610 HH12 ARG 76 2HH1 ARG 76 17.393 8.978 2.527 611 HH21 ARG 76 1HH2 ARG 76 18.521 5.941 3.713 612 HH22 ARG 76 2HH2 ARG 76 18.929 7.402 2.800 613 H LEU 77 H LEU 77 11.994 2.706 3.337 614 HA LEU 77 HA LEU 77 9.471 3.521 2.006 615 HB2 LEU 77 1HB LEU 77 9.593 1.263 2.864 616 HB3 LEU 77 2HB LEU 77 10.044 1.835 4.471 617 HG LEU 77 HG LEU 77 7.765 2.940 4.577 618 HD11 LEU 77 1HD1 LEU 77 7.202 3.123 2.194 619 HD12 LEU 77 2HD1 LEU 77 6.068 1.972 2.922 620 HD13 LEU 77 3HD1 LEU 77 7.419 1.377 1.964 621 HD21 LEU 77 1HD2 LEU 77 8.192 0.748 5.606 622 HD22 LEU 77 2HD2 LEU 77 7.746 -0.047 4.082 623 HD23 LEU 77 3HD2 LEU 77 6.537 0.885 4.983 624 H THR 78 H THR 78 8.172 5.152 2.708 625 HA THR 78 HA THR 78 8.578 6.451 5.323 626 HB THR 78 HB THR 78 10.297 7.510 3.968 627 HG1 THR 78 1HG THR 78 9.351 8.925 5.303 628 HG21 THR 78 1HG2 THR 78 9.512 7.147 1.687 629 HG22 THR 78 2HG2 THR 78 9.760 8.864 1.975 630 HG23 THR 78 3HG2 THR 78 8.108 8.203 1.963 631 H THR 79 H THR 79 6.787 7.887 5.897 632 HA THR 79 HA THR 79 4.283 7.253 4.530 633 HB THR 79 HB THR 79 3.321 9.053 6.022 634 HG1 THR 79 1HG THR 79 5.264 10.073 6.599 635 HG21 THR 79 1HG2 THR 79 4.597 6.612 7.302 636 HG22 THR 79 2HG2 THR 79 3.028 6.673 6.464 637 HG23 THR 79 3HG2 THR 79 3.251 7.570 7.968 638 H SER 80 H SER 80 3.250 8.359 3.075 639 HA SER 80 HA SER 80 4.626 10.027 1.240 640 HB2 SER 80 1HB SER 80 2.897 8.505 0.535 641 HB3 SER 80 2HB SER 80 1.735 9.211 1.651 642 HG SER 80 HG SER 80 2.544 10.094 -0.852 643 HA PRO 81 HA PRO 81 3.373 14.155 2.700 644 HB2 PRO 81 1HB PRO 81 3.535 15.610 0.396 645 HB3 PRO 81 2HB PRO 81 4.976 15.004 1.267 646 HG2 PRO 81 1HG PRO 81 3.579 13.738 -1.115 647 HG3 PRO 81 2HG PRO 81 5.329 14.082 -0.908 648 HD2 PRO 81 1HD PRO 81 4.296 11.628 -0.392 649 HD3 PRO 81 2HD PRO 81 5.596 12.310 0.622 650 H ALA 82 H ALA 82 1.641 12.268 0.325 651 HA ALA 82 HA ALA 82 -0.782 14.023 0.503 652 HB1 ALA 82 1HB ALA 82 0.076 12.050 -1.650 653 HB2 ALA 82 2HB ALA 82 -1.386 13.063 -1.666 654 HB3 ALA 82 3HB ALA 82 0.215 13.821 -1.736 655 H GLN 83 H GLN 83 0.330 10.654 0.808 656 HA GLN 83 HA GLN 83 -0.568 8.820 1.807 657 HB2 GLN 83 1HB GLN 83 -2.058 10.839 3.531 658 HB3 GLN 83 2HB GLN 83 -1.670 9.163 3.943 659 HG2 GLN 83 1HG GLN 83 0.782 9.743 3.646 660 HG3 GLN 83 2HG GLN 83 0.287 11.435 3.479 661 HE21 GLN 83 1HE2 GLN 83 1.959 11.448 5.248 662 HE22 GLN 83 2HE2 GLN 83 1.335 11.314 6.900 663 H ASN 84 H ASN 84 -3.349 8.709 3.055 664 HA ASN 84 HA ASN 84 -4.593 7.389 0.861 665 HB2 ASN 84 1HB ASN 84 -6.421 7.000 2.424 666 HB3 ASN 84 2HB ASN 84 -4.884 6.754 3.234 667 HD21 ASN 84 1HD2 ASN 84 -7.895 8.331 3.464 668 HD22 ASN 84 2HD2 ASN 84 -7.453 9.435 4.758 669 H ALA 85 H ALA 85 -4.617 10.764 1.532 670 HA ALA 85 HA ALA 85 -7.153 11.339 0.182 671 HB1 ALA 85 1HB ALA 85 -6.462 13.666 0.463 672 HB2 ALA 85 2HB ALA 85 -6.257 12.780 1.984 673 HB3 ALA 85 3HB ALA 85 -4.841 13.159 0.974 674 H GLN 86 H GLN 86 -4.054 10.391 -0.965 675 HA GLN 86 HA GLN 86 -3.810 11.984 -3.309 676 HB2 GLN 86 1HB GLN 86 -1.962 10.694 -2.365 677 HB3 GLN 86 2HB GLN 86 -2.827 9.185 -2.643 678 HG2 GLN 86 1HG GLN 86 -1.082 9.473 -4.306 679 HG3 GLN 86 2HG GLN 86 -2.665 9.460 -5.060 680 HE21 GLN 86 1HE2 GLN 86 -1.494 10.435 -6.901 681 HE22 GLN 86 2HE2 GLN 86 -1.182 12.179 -6.879 682 H GLN 87 H GLN 87 -5.076 12.095 -5.041 683 HA GLN 87 HA GLN 87 -7.157 10.141 -5.536 684 HB2 GLN 87 1HB GLN 87 -7.511 12.560 -5.696 685 HB3 GLN 87 2HB GLN 87 -6.351 12.667 -7.027 686 HG2 GLN 87 1HG GLN 87 -7.807 11.326 -8.473 687 HG3 GLN 87 2HG GLN 87 -8.915 11.022 -7.128 688 HE21 GLN 87 1HE2 GLN 87 -9.991 13.043 -6.142 689 HE22 GLN 87 2HE2 GLN 87 -10.361 14.342 -7.270 690 H LEU 88 H LEU 88 -4.185 10.986 -7.169 691 HA LEU 88 HA LEU 88 -4.751 9.159 -9.434 692 HB2 LEU 88 1HB LEU 88 -2.626 11.288 -9.076 693 HB3 LEU 88 2HB LEU 88 -2.903 10.326 -10.519 694 HG LEU 88 HG LEU 88 -4.833 12.361 -9.320 695 HD11 LEU 88 1HD1 LEU 88 -4.356 13.604 -11.393 696 HD12 LEU 88 2HD1 LEU 88 -3.215 12.333 -11.895 697 HD13 LEU 88 3HD1 LEU 88 -2.877 13.321 -10.457 698 HD21 LEU 88 1HD2 LEU 88 -6.146 12.014 -11.429 699 HD22 LEU 88 2HD2 LEU 88 -6.176 10.612 -10.358 700 HD23 LEU 88 3HD2 LEU 88 -5.127 10.599 -11.790 701 H HIS 89 H HIS 89 -3.683 7.402 -9.903 702 HA HIS 89 HA HIS 89 -1.214 6.586 -8.440 703 HB2 HIS 89 1HB HIS 89 -3.756 4.927 -8.630 704 HB3 HIS 89 2HB HIS 89 -2.209 4.364 -7.995 705 HD2 HIS 89 2HD HIS 89 -5.191 6.607 -7.067 706 HE1 HIS 89 1HE HIS 89 -2.637 6.571 -3.654 707 HE2 HIS 89 2HE HIS 89 -4.876 7.372 -4.563 708 H GLU 90 H GLU 90 -1.897 7.509 -11.164 709 HA GLU 90 HA GLU 90 -0.411 5.568 -12.773 710 HB2 GLU 90 1HB GLU 90 -2.087 5.533 -14.560 711 HB3 GLU 90 2HB GLU 90 -2.639 4.699 -13.121 712 HG2 GLU 90 1HG GLU 90 -3.447 7.576 -13.747 713 HG3 GLU 90 2HG GLU 90 -4.304 6.193 -14.401 714 H ARG 91 H ARG 91 0.349 6.567 -14.805 715 HA ARG 91 HA ARG 91 0.775 9.456 -14.560 716 HB2 ARG 91 1HB ARG 91 2.571 7.884 -15.343 717 HB3 ARG 91 2HB ARG 91 1.607 7.529 -16.772 718 HG2 ARG 91 1HG ARG 91 3.209 9.133 -17.462 719 HG3 ARG 91 2HG ARG 91 1.696 10.016 -17.335 720 HD2 ARG 91 1HD ARG 91 2.694 10.463 -14.822 721 HD3 ARG 91 2HD ARG 91 4.197 10.194 -15.684 722 HE ARG 91 HE ARG 91 3.774 12.104 -17.086 723 HH11 ARG 91 1HH1 ARG 91 1.412 11.899 -14.482 724 HH12 ARG 91 2HH1 ARG 91 0.709 13.435 -14.901 725 HH21 ARG 91 1HH2 ARG 91 2.846 14.055 -17.513 726 HH22 ARG 91 2HH2 ARG 91 1.490 14.606 -16.557 727 H ILE 92 H ILE 92 -1.138 10.523 -14.814 728 HA ILE 92 HA ILE 92 -2.981 10.087 -17.006 729 HB ILE 92 HB ILE 92 -2.621 12.486 -15.176 730 HG12 ILE 92 1HG1 ILE 92 -3.208 10.507 -13.878 731 HG13 ILE 92 2HG1 ILE 92 -4.530 11.654 -13.932 732 HG21 ILE 92 1HG2 ILE 92 -4.980 13.039 -15.844 733 HG22 ILE 92 2HG2 ILE 92 -3.808 13.229 -17.148 734 HG23 ILE 92 3HG2 ILE 92 -4.870 11.807 -17.120 735 HD11 ILE 92 1HD1 ILE 92 -4.376 9.079 -15.561 736 HD12 ILE 92 2HD1 ILE 92 -5.350 9.357 -14.112 737 HD13 ILE 92 3HD1 ILE 92 -5.721 10.246 -15.594 738 H GLN 93 H GLN 93 -2.297 10.242 -19.006 739 HA GLN 93 HA GLN 93 -1.453 12.766 -20.177 740 HB2 GLN 93 1HB GLN 93 0.517 10.616 -19.565 741 HB3 GLN 93 2HB GLN 93 0.487 11.039 -21.264 742 HG2 GLN 93 1HG GLN 93 0.895 13.057 -19.038 743 HG3 GLN 93 2HG GLN 93 2.161 12.289 -19.981 744 HE21 GLN 93 1HE2 GLN 93 2.417 14.866 -20.159 745 HE22 GLN 93 2HE2 GLN 93 1.684 15.529 -21.630 746 H SER 94 H SER 94 -1.312 12.605 -22.540 747 HA SER 94 HA SER 94 -3.255 10.753 -23.764 748 HB2 SER 94 1HB SER 94 -3.092 13.079 -24.518 749 HB3 SER 94 2HB SER 94 -1.392 12.841 -24.962 750 HG SER 94 HG SER 94 -2.849 12.636 -26.750 751 H SER 95 H SER 95 0.271 11.249 -23.764 752 HA SER 95 HA SER 95 0.903 8.805 -25.266 753 HB2 SER 95 1HB SER 95 2.323 10.841 -25.354 754 HB3 SER 95 2HB SER 95 2.666 10.659 -23.623 755 HG SER 95 HG SER 95 4.321 9.721 -24.799 756 H SER 96 H SER 96 2.358 7.134 -24.256 757 HA SER 96 HA SER 96 1.353 6.002 -21.789 758 HB2 SER 96 1HB SER 96 3.949 5.427 -23.271 759 HB3 SER 96 2HB SER 96 3.195 4.409 -22.030 760 HG SER 96 HG SER 96 2.700 3.698 -24.161 761 H MET 97 H MET 97 4.007 8.214 -22.537 762 HA MET 97 HA MET 97 4.290 9.000 -19.770 763 HB2 MET 97 1HB MET 97 6.660 8.494 -19.497 764 HB3 MET 97 2HB MET 97 5.749 7.007 -19.726 765 HG2 MET 97 1HG MET 97 6.457 6.952 -22.113 766 HG3 MET 97 2HG MET 97 7.396 8.428 -21.857 767 HE1 MET 97 1HE MET 97 8.587 5.797 -23.148 768 HE2 MET 97 2HE MET 97 9.525 7.284 -22.878 769 HE3 MET 97 3HE MET 97 10.166 5.717 -22.336 770 H ASP 98 H ASP 98 5.540 10.939 -19.515 771 HA ASP 98 HA ASP 98 6.298 12.374 -22.028 772 HB2 ASP 98 1HB ASP 98 5.260 14.376 -21.088 773 HB3 ASP 98 2HB ASP 98 4.102 13.073 -21.296 774 H ALA 99 H ALA 99 7.560 11.282 -19.123 775 HA ALA 99 HA ALA 99 8.984 13.558 -18.180 776 HB1 ALA 99 1HB ALA 99 8.425 11.588 -16.812 777 HB2 ALA 99 2HB ALA 99 9.530 10.586 -17.779 778 HB3 ALA 99 3HB ALA 99 10.169 11.914 -16.787 779 H LYS 100 H LYS 100 10.842 14.457 -18.696 780 HA LYS 100 HA LYS 100 13.093 13.219 -20.024 781 HB2 LYS 100 1HB LYS 100 13.027 14.687 -22.065 782 HB3 LYS 100 2HB LYS 100 11.797 13.436 -22.018 783 HG2 LYS 100 1HG LYS 100 10.136 15.153 -21.214 784 HG3 LYS 100 2HG LYS 100 11.365 16.400 -21.443 785 HD2 LYS 100 1HD LYS 100 11.453 15.960 -23.825 786 HD3 LYS 100 2HD LYS 100 10.471 14.502 -23.673 787 HE2 LYS 100 1HE LYS 100 9.448 17.260 -22.884 788 HE3 LYS 100 2HE LYS 100 9.299 16.625 -24.524 789 HZ1 LYS 100 1HZ LYS 100 8.005 14.783 -23.687 790 HZ2 LYS 100 2HZ LYS 100 7.313 16.164 -23.169 791 HZ3 LYS 100 3HZ LYS 100 8.185 15.239 -22.128 792 H LEU 101 H LEU 101 14.837 14.815 -20.438 793 HA LEU 101 HA LEU 101 15.193 16.351 -18.044 794 HB2 LEU 101 1HB LEU 101 17.459 16.627 -18.768 795 HB3 LEU 101 2HB LEU 101 16.923 14.999 -19.110 796 HG LEU 101 HG LEU 101 16.422 16.064 -21.553 797 HD11 LEU 101 1HD1 LEU 101 18.227 17.614 -22.197 798 HD12 LEU 101 2HD1 LEU 101 18.782 17.699 -20.511 799 HD13 LEU 101 3HD1 LEU 101 17.204 18.364 -20.971 800 HD21 LEU 101 1HD2 LEU 101 17.875 14.137 -21.096 801 HD22 LEU 101 2HD2 LEU 101 19.175 15.226 -20.558 802 HD23 LEU 101 3HD2 LEU 101 18.632 15.241 -22.254 803 H GLU 102 H GLU 102 14.100 17.360 -21.163 804 HA GLU 102 HA GLU 102 14.776 20.195 -20.791 805 HB2 GLU 102 1HB GLU 102 13.634 20.570 -22.883 806 HB3 GLU 102 2HB GLU 102 14.804 19.257 -23.022 807 HG2 GLU 102 1HG GLU 102 13.006 17.593 -22.957 808 HG3 GLU 102 2HG GLU 102 11.801 18.850 -22.651 809 H ALA 103 H ALA 103 13.185 21.925 -20.754 810 HA ALA 103 HA ALA 103 11.273 21.606 -18.662 811 HB1 ALA 103 1HB ALA 103 10.707 23.952 -19.167 812 HB2 ALA 103 2HB ALA 103 12.463 23.709 -19.112 813 HB3 ALA 103 3HB ALA 103 11.633 23.862 -20.680 814 H LEU 104 H LEU 104 9.145 21.229 -18.626 815 HA LEU 104 HA LEU 104 7.769 20.384 -21.101 816 HB2 LEU 104 1HB LEU 104 6.902 20.194 -18.194 817 HB3 LEU 104 2HB LEU 104 6.106 19.438 -19.571 818 HG LEU 104 HG LEU 104 8.887 18.754 -18.507 819 HD11 LEU 104 1HD1 LEU 104 7.850 16.623 -17.898 820 HD12 LEU 104 2HD1 LEU 104 6.284 17.179 -18.538 821 HD13 LEU 104 3HD1 LEU 104 7.010 17.974 -17.114 822 HD21 LEU 104 1HD2 LEU 104 7.309 17.544 -20.819 823 HD22 LEU 104 2HD2 LEU 104 8.778 16.842 -20.095 824 HD23 LEU 104 3HD2 LEU 104 8.873 18.397 -20.927 825 H LYS 105 H LYS 105 5.567 20.967 -21.525 826 HA LYS 105 HA LYS 105 4.487 23.482 -20.428 827 HB2 LYS 105 1HB LYS 105 6.046 24.127 -22.292 828 HB3 LYS 105 2HB LYS 105 5.067 23.168 -23.408 829 HG2 LYS 105 1HG LYS 105 3.120 24.635 -22.970 830 HG3 LYS 105 2HG LYS 105 4.062 25.544 -21.772 831 HD2 LYS 105 1HD LYS 105 5.642 26.244 -23.550 832 HD3 LYS 105 2HD LYS 105 4.714 25.310 -24.746 833 HE2 LYS 105 1HE LYS 105 2.707 26.694 -24.265 834 HE3 LYS 105 2HE LYS 105 3.627 27.623 -23.074 835 HZ1 LYS 105 1HZ LYS 105 5.096 28.355 -24.879 836 HZ2 LYS 105 2HZ LYS 105 3.553 28.761 -25.218 837 HZ3 LYS 105 3HZ LYS 105 4.247 27.496 -25.980 838 H ASP 106 H ASP 106 2.273 23.683 -20.674 839 HA ASP 106 HA ASP 106 0.774 21.245 -21.026 840 HB2 ASP 106 1HB ASP 106 0.300 23.150 -19.416 841 HB3 ASP 106 2HB ASP 106 -0.295 24.080 -20.792 842 H LEU 107 H LEU 107 -1.103 20.993 -22.439 843 HA LEU 107 HA LEU 107 -0.405 21.430 -25.241 844 HB2 LEU 107 1HB LEU 107 -2.896 20.220 -23.979 845 HB3 LEU 107 2HB LEU 107 -2.472 20.146 -25.687 846 HG LEU 107 HG LEU 107 -0.871 18.860 -23.426 847 HD11 LEU 107 1HD1 LEU 107 -3.036 17.768 -23.794 848 HD12 LEU 107 2HD1 LEU 107 -1.710 16.742 -24.359 849 HD13 LEU 107 3HD1 LEU 107 -2.699 17.642 -25.535 850 HD21 LEU 107 1HD2 LEU 107 -0.547 18.682 -26.456 851 HD22 LEU 107 2HD2 LEU 107 0.313 17.680 -25.266 852 HD23 LEU 107 3HD2 LEU 107 0.602 19.420 -25.314 853 H ALA 108 H ALA 108 -1.398 22.682 -26.768 854 HA ALA 108 HA ALA 108 -2.699 25.115 -25.916 855 HB1 ALA 108 1HB ALA 108 -2.668 25.626 -28.327 856 HB2 ALA 108 2HB ALA 108 -1.103 24.985 -27.795 857 HB3 ALA 108 3HB ALA 108 -2.233 23.943 -28.696 858 H SER 109 H SER 109 -3.963 22.019 -26.870 859 HA SER 109 HA SER 109 -6.714 22.855 -26.410 860 HB2 SER 109 1HB SER 109 -7.606 22.071 -28.539 861 HB3 SER 109 2HB SER 109 -6.491 23.414 -28.804 862 HG SER 109 HG SER 109 -4.930 21.973 -29.507 863 H LEU 110 H LEU 110 -8.206 20.935 -26.522 864 HA LEU 110 HA LEU 110 -6.870 18.342 -25.898 865 HB2 LEU 110 1HB LEU 110 -9.052 19.708 -24.280 866 HB3 LEU 110 2HB LEU 110 -8.503 18.058 -24.022 867 HG LEU 110 HG LEU 110 -6.735 20.526 -23.688 868 HD11 LEU 110 1HD1 LEU 110 -6.976 20.112 -21.281 869 HD12 LEU 110 2HD1 LEU 110 -8.105 18.775 -21.606 870 HD13 LEU 110 3HD1 LEU 110 -8.548 20.446 -22.024 871 HD21 LEU 110 1HD2 LEU 110 -5.423 18.490 -24.189 872 HD22 LEU 110 2HD2 LEU 110 -6.290 17.603 -22.914 873 HD23 LEU 110 3HD2 LEU 110 -5.222 18.964 -22.501 874 H SER 111 H SER 111 -8.109 16.487 -26.198 875 HA SER 111 HA SER 111 -9.849 16.529 -28.480 876 HB2 SER 111 1HB SER 111 -9.242 14.240 -26.574 877 HB3 SER 111 2HB SER 111 -9.854 14.101 -28.231 878 HG SER 111 HG SER 111 -7.908 14.911 -29.006 879 H ARG 112 H ARG 112 -10.729 17.222 -25.345 880 HA ARG 112 HA ARG 112 -13.579 16.528 -25.767 881 HB2 ARG 112 1HB ARG 112 -12.450 14.648 -24.522 882 HB3 ARG 112 2HB ARG 112 -12.055 15.787 -23.232 883 HG2 ARG 112 1HG ARG 112 -14.479 16.197 -22.858 884 HG3 ARG 112 2HG ARG 112 -14.881 15.076 -24.166 885 HD2 ARG 112 1HD ARG 112 -13.349 14.365 -21.628 886 HD3 ARG 112 2HD ARG 112 -15.085 14.104 -21.869 887 HE ARG 112 HE ARG 112 -13.879 12.813 -24.022 888 HH11 ARG 112 1HH1 ARG 112 -13.348 10.724 -20.660 889 HH12 ARG 112 2HH1 ARG 112 -13.731 12.420 -20.544 890 HH21 ARG 112 1HH2 ARG 112 -13.381 10.648 -24.099 891 HH22 ARG 112 2HH2 ARG 112 -13.162 9.753 -22.624 892 H ASP 113 H ASP 113 -15.011 17.869 -24.754 893 HA ASP 113 HA ASP 113 -14.153 20.565 -24.085 894 HB2 ASP 113 1HB ASP 113 -16.573 20.967 -23.808 895 HB3 ASP 113 2HB ASP 113 -16.146 20.284 -25.365 Start of MODEL 8 1 H1 GLY 0 1H GLY 0 15.783 -23.714 -17.686 2 H2 GLY 0 2H GLY 0 16.604 -23.963 -16.292 3 H3 GLY 0 3H GLY 0 17.171 -24.585 -17.698 4 HA2 GLY 0 1HA GLY 0 18.465 -22.657 -17.072 5 HA3 GLY 0 2HA GLY 0 17.589 -22.398 -18.592 6 H MET 1 H MET 1 18.523 -20.295 -16.969 7 HA MET 1 HA MET 1 16.523 -19.208 -15.237 8 HB2 MET 1 1HB MET 1 18.901 -18.621 -15.148 9 HB3 MET 1 2HB MET 1 18.787 -17.843 -16.733 10 HG2 MET 1 1HG MET 1 17.202 -16.191 -15.819 11 HG3 MET 1 2HG MET 1 17.245 -17.004 -14.249 12 HE1 MET 1 1HE MET 1 17.697 -14.665 -13.111 13 HE2 MET 1 2HE MET 1 19.017 -13.573 -13.582 14 HE3 MET 1 3HE MET 1 17.676 -13.881 -14.708 15 HA PRO 2 HA PRO 2 13.596 -17.578 -18.230 16 HB2 PRO 2 1HB PRO 2 13.221 -15.385 -16.182 17 HB3 PRO 2 2HB PRO 2 11.975 -16.317 -17.070 18 HG2 PRO 2 1HG PRO 2 12.553 -16.963 -14.518 19 HG3 PRO 2 2HG PRO 2 12.382 -18.268 -15.740 20 HD2 PRO 2 1HD PRO 2 14.927 -17.009 -14.678 21 HD3 PRO 2 2HD PRO 2 14.522 -18.740 -14.905 22 HA PRO 3 HA PRO 3 15.710 -14.302 -20.428 23 HB2 PRO 3 1HB PRO 3 13.710 -13.170 -21.938 24 HB3 PRO 3 2HB PRO 3 14.376 -14.804 -22.246 25 HG2 PRO 3 1HG PRO 3 11.884 -14.075 -20.667 26 HG3 PRO 3 2HG PRO 3 12.045 -15.287 -21.980 27 HD2 PRO 3 1HD PRO 3 12.156 -16.009 -19.373 28 HD3 PRO 3 2HD PRO 3 13.230 -16.783 -20.576 29 HA PRO 4 HA PRO 4 15.298 -10.526 -18.125 30 HB2 PRO 4 1HB PRO 4 16.173 -8.583 -19.853 31 HB3 PRO 4 2HB PRO 4 17.248 -9.811 -19.121 32 HG2 PRO 4 1HG PRO 4 15.928 -9.892 -21.855 33 HG3 PRO 4 2HG PRO 4 17.654 -10.171 -21.453 34 HD2 PRO 4 1HD PRO 4 15.939 -12.237 -21.774 35 HD3 PRO 4 2HD PRO 4 17.180 -12.284 -20.488 36 H ALA 5 H ALA 5 14.134 -8.565 -17.865 37 HA ALA 5 HA ALA 5 11.917 -7.873 -19.675 38 HB1 ALA 5 1HB ALA 5 11.480 -8.953 -16.848 39 HB2 ALA 5 2HB ALA 5 10.219 -8.296 -17.914 40 HB3 ALA 5 3HB ALA 5 11.055 -9.792 -18.355 41 H ASP 6 H ASP 6 10.551 -6.090 -18.539 42 HA ASP 6 HA ASP 6 12.312 -3.921 -17.697 43 HB2 ASP 6 1HB ASP 6 9.298 -4.007 -18.018 44 HB3 ASP 6 2HB ASP 6 10.271 -2.557 -17.764 45 H ILE 7 H ILE 7 12.833 -5.547 -15.814 46 HA ILE 7 HA ILE 7 11.325 -4.759 -13.363 47 HB ILE 7 HB ILE 7 12.363 -7.547 -13.980 48 HG12 ILE 7 1HG1 ILE 7 9.500 -6.509 -14.002 49 HG13 ILE 7 2HG1 ILE 7 10.409 -7.098 -15.386 50 HG21 ILE 7 1HG2 ILE 7 11.228 -8.202 -11.890 51 HG22 ILE 7 2HG2 ILE 7 12.421 -6.966 -11.570 52 HG23 ILE 7 3HG2 ILE 7 10.699 -6.525 -11.635 53 HD11 ILE 7 1HD1 ILE 7 8.897 -8.815 -14.774 54 HD12 ILE 7 2HD1 ILE 7 10.518 -9.366 -14.308 55 HD13 ILE 7 3HD1 ILE 7 9.379 -8.763 -13.074 56 H VAL 8 H VAL 8 12.570 -4.222 -11.647 57 HA VAL 8 HA VAL 8 15.529 -4.660 -11.757 58 HB VAL 8 HB VAL 8 15.791 -2.365 -10.816 59 HG11 VAL 8 1HG1 VAL 8 15.751 -1.246 -12.980 60 HG12 VAL 8 2HG1 VAL 8 16.306 -2.917 -13.174 61 HG13 VAL 8 3HG1 VAL 8 14.648 -2.473 -13.631 62 HG21 VAL 8 1HG2 VAL 8 13.542 -1.785 -10.105 63 HG22 VAL 8 2HG2 VAL 8 14.090 -0.647 -11.339 64 HG23 VAL 8 3HG2 VAL 8 12.936 -1.913 -11.773 65 H LYS 9 H LYS 9 16.453 -5.372 -9.950 66 HA LYS 9 HA LYS 9 14.885 -5.820 -7.527 67 HB2 LYS 9 1HB LYS 9 16.704 -7.340 -8.423 68 HB3 LYS 9 2HB LYS 9 17.883 -6.117 -7.920 69 HG2 LYS 9 1HG LYS 9 17.101 -6.361 -5.557 70 HG3 LYS 9 2HG LYS 9 15.866 -7.506 -6.090 71 HD2 LYS 9 1HD LYS 9 17.689 -8.734 -5.122 72 HD3 LYS 9 2HD LYS 9 17.644 -9.065 -6.860 73 HE2 LYS 9 1HE LYS 9 19.484 -7.420 -7.212 74 HE3 LYS 9 2HE LYS 9 19.505 -7.069 -5.477 75 HZ1 LYS 9 1HZ LYS 9 20.137 -9.397 -5.088 76 HZ2 LYS 9 2HZ LYS 9 21.218 -8.685 -6.080 77 HZ3 LYS 9 3HZ LYS 9 20.113 -9.717 -6.691 78 H VAL 10 H VAL 10 15.031 -4.784 -5.587 79 HA VAL 10 HA VAL 10 16.776 -2.401 -5.266 80 HB VAL 10 HB VAL 10 14.920 -1.087 -4.357 81 HG11 VAL 10 1HG1 VAL 10 15.629 -0.881 -6.755 82 HG12 VAL 10 2HG1 VAL 10 14.286 -1.950 -7.205 83 HG13 VAL 10 3HG1 VAL 10 13.962 -0.385 -6.437 84 HG21 VAL 10 1HG2 VAL 10 13.047 -3.230 -5.454 85 HG22 VAL 10 2HG2 VAL 10 13.329 -2.894 -3.735 86 HG23 VAL 10 3HG2 VAL 10 12.578 -1.668 -4.758 87 H ALA 11 H ALA 11 17.203 -1.816 -3.133 88 HA ALA 11 HA ALA 11 16.475 -3.832 -1.027 89 HB1 ALA 11 1HB ALA 11 18.598 -3.238 0.054 90 HB2 ALA 11 2HB ALA 11 18.874 -3.867 -1.583 91 HB3 ALA 11 3HB ALA 11 18.985 -2.121 -1.273 92 H ILE 12 H ILE 12 14.849 -3.006 0.146 93 HA ILE 12 HA ILE 12 14.613 -0.065 0.461 94 HB ILE 12 HB ILE 12 12.601 -2.227 1.086 95 HG12 ILE 12 1HG1 ILE 12 12.493 -0.388 -1.337 96 HG13 ILE 12 2HG1 ILE 12 13.315 -1.942 -1.435 97 HG21 ILE 12 1HG2 ILE 12 12.245 -0.057 2.316 98 HG22 ILE 12 2HG2 ILE 12 12.263 0.800 0.767 99 HG23 ILE 12 3HG2 ILE 12 10.974 -0.356 1.151 100 HD11 ILE 12 1HD1 ILE 12 11.321 -3.143 -0.760 101 HD12 ILE 12 2HD1 ILE 12 10.435 -1.604 -0.623 102 HD13 ILE 12 3HD1 ILE 12 11.029 -2.142 -2.205 103 H GLU 13 H GLU 13 15.138 0.894 2.249 104 HA GLU 13 HA GLU 13 15.692 -0.613 4.743 105 HB2 GLU 13 1HB GLU 13 16.321 2.185 3.782 106 HB3 GLU 13 2HB GLU 13 16.624 1.689 5.440 107 HG2 GLU 13 1HG GLU 13 17.787 0.189 3.049 108 HG3 GLU 13 2HG GLU 13 18.554 1.608 3.751 109 H TRP 14 H TRP 14 14.876 -0.133 6.736 110 HA TRP 14 HA TRP 14 12.831 1.899 7.147 111 HB2 TRP 14 1HB TRP 14 11.473 0.075 6.290 112 HB3 TRP 14 2HB TRP 14 12.192 -1.055 7.431 113 HD1 TRP 14 HD TRP 14 11.058 -1.284 9.716 114 HE1 TRP 14 1HE TRP 14 9.137 -0.130 10.966 115 HE3 TRP 14 3HE TRP 14 10.290 2.646 6.538 116 HZ2 TRP 14 2HZ TRP 14 7.483 2.221 10.633 117 HZ3 TRP 14 3HZ TRP 14 8.571 4.360 7.051 118 HH2 TRP 14 HH TRP 14 7.155 4.156 9.084 119 HA PRO 15 HA PRO 15 15.123 1.980 10.911 120 HB2 PRO 15 1HB PRO 15 12.581 2.837 12.296 121 HB3 PRO 15 2HB PRO 15 14.221 3.559 12.388 122 HG2 PRO 15 1HG PRO 15 12.346 4.711 10.824 123 HG3 PRO 15 2HG PRO 15 14.006 4.484 10.175 124 HD2 PRO 15 1HD PRO 15 11.570 2.734 9.759 125 HD3 PRO 15 2HD PRO 15 12.694 3.388 8.532 126 H GLY 16 H GLY 16 15.732 0.640 12.546 127 HA2 GLY 16 1HA GLY 16 15.721 -1.065 14.088 128 HA3 GLY 16 2HA GLY 16 13.959 -0.989 14.131 129 H ALA 17 H ALA 17 15.212 -1.573 10.957 130 HA ALA 17 HA ALA 17 15.002 -4.531 11.211 131 HB1 ALA 17 1HB ALA 17 12.763 -3.641 10.621 132 HB2 ALA 17 2HB ALA 17 13.467 -2.819 9.207 133 HB3 ALA 17 3HB ALA 17 13.469 -4.591 9.298 134 H TYR 18 H TYR 18 15.870 -5.727 9.470 135 HA TYR 18 HA TYR 18 18.195 -4.611 8.108 136 HB2 TYR 18 1HB TYR 18 16.781 -7.278 7.788 137 HB3 TYR 18 2HB TYR 18 18.361 -6.895 7.151 138 HD1 TYR 18 1HD TYR 18 20.217 -6.174 8.843 139 HD2 TYR 18 2HD TYR 18 16.607 -8.267 9.955 140 HE1 TYR 18 1HE TYR 18 21.303 -6.936 10.956 141 HE2 TYR 18 2HE TYR 18 17.694 -9.022 12.061 142 HH TYR 18 HH TYR 18 19.591 -8.988 13.347 143 HA PRO 19 HA PRO 19 16.214 -3.228 4.454 144 HB2 PRO 19 1HB PRO 19 17.944 -3.869 2.386 145 HB3 PRO 19 2HB PRO 19 18.190 -2.537 3.547 146 HG2 PRO 19 1HG PRO 19 19.352 -5.331 3.619 147 HG3 PRO 19 2HG PRO 19 20.182 -3.775 3.937 148 HD2 PRO 19 1HD PRO 19 19.310 -5.388 5.942 149 HD3 PRO 19 2HD PRO 19 19.225 -3.617 6.106 150 H LYS 20 H LYS 20 14.552 -3.921 3.316 151 HA LYS 20 HA LYS 20 14.073 -6.783 2.752 152 HB2 LYS 20 1HB LYS 20 12.267 -5.482 3.659 153 HB3 LYS 20 2HB LYS 20 12.412 -4.258 2.389 154 HG2 LYS 20 1HG LYS 20 11.634 -5.812 0.706 155 HG3 LYS 20 2HG LYS 20 11.694 -7.168 1.854 156 HD2 LYS 20 1HD LYS 20 9.892 -6.158 3.189 157 HD3 LYS 20 2HD LYS 20 9.921 -4.707 2.188 158 HE2 LYS 20 1HE LYS 20 8.021 -6.068 1.568 159 HE3 LYS 20 2HE LYS 20 9.163 -5.981 0.225 160 HZ1 LYS 20 1HZ LYS 20 8.298 -8.236 0.602 161 HZ2 LYS 20 2HZ LYS 20 8.935 -8.284 2.102 162 HZ3 LYS 20 3HZ LYS 20 9.918 -8.219 0.795 163 H LEU 21 H LEU 21 15.221 -7.560 1.107 164 HA LEU 21 HA LEU 21 15.636 -6.115 -1.417 165 HB2 LEU 21 1HB LEU 21 16.163 -8.951 -0.473 166 HB3 LEU 21 2HB LEU 21 16.376 -8.486 -2.156 167 HG LEU 21 HG LEU 21 17.794 -6.988 0.084 168 HD11 LEU 21 1HD1 LEU 21 19.768 -8.388 -0.394 169 HD12 LEU 21 2HD1 LEU 21 18.798 -9.394 -1.497 170 HD13 LEU 21 3HD1 LEU 21 18.431 -9.358 0.243 171 HD21 LEU 21 1HD2 LEU 21 19.350 -6.381 -1.728 172 HD22 LEU 21 2HD2 LEU 21 17.704 -5.896 -2.165 173 HD23 LEU 21 3HD2 LEU 21 18.415 -7.350 -2.888 174 H MET 22 H MET 22 14.200 -5.999 -3.035 175 HA MET 22 HA MET 22 12.414 -8.228 -3.649 176 HB2 MET 22 1HB MET 22 10.344 -7.182 -3.410 177 HB3 MET 22 2HB MET 22 11.171 -6.831 -1.896 178 HG2 MET 22 1HG MET 22 11.690 -4.579 -2.635 179 HG3 MET 22 2HG MET 22 10.922 -4.863 -4.201 180 HE1 MET 22 1HE MET 22 8.447 -4.851 -4.699 181 HE2 MET 22 2HE MET 22 8.206 -6.347 -3.765 182 HE3 MET 22 3HE MET 22 7.148 -4.949 -3.484 183 H GLU 23 H GLU 23 10.913 -7.442 -5.631 184 HA GLU 23 HA GLU 23 12.681 -5.933 -7.521 185 HB2 GLU 23 1HB GLU 23 11.034 -8.425 -7.957 186 HB3 GLU 23 2HB GLU 23 11.589 -7.396 -9.283 187 HG2 GLU 23 1HG GLU 23 13.917 -7.691 -8.656 188 HG3 GLU 23 2HG GLU 23 13.471 -8.630 -7.233 189 H ILE 24 H ILE 24 11.914 -4.266 -8.496 190 HA ILE 24 HA ILE 24 9.009 -3.589 -8.419 191 HB ILE 24 HB ILE 24 11.504 -1.958 -8.985 192 HG12 ILE 24 1HG1 ILE 24 9.308 -1.808 -6.870 193 HG13 ILE 24 2HG1 ILE 24 10.952 -2.385 -6.621 194 HG21 ILE 24 1HG2 ILE 24 9.771 -1.246 -10.616 195 HG22 ILE 24 2HG2 ILE 24 8.612 -1.030 -9.285 196 HG23 ILE 24 3HG2 ILE 24 10.059 -0.011 -9.415 197 HD11 ILE 24 1HD1 ILE 24 10.847 -0.184 -5.728 198 HD12 ILE 24 2HD1 ILE 24 11.785 -0.081 -7.230 199 HD13 ILE 24 3HD1 ILE 24 10.093 0.472 -7.185 200 H ASP 25 H ASP 25 7.951 -4.535 -10.000 201 HA ASP 25 HA ASP 25 9.049 -4.797 -12.744 202 HB2 ASP 25 1HB ASP 25 7.676 -6.618 -11.812 203 HB3 ASP 25 2HB ASP 25 6.361 -5.490 -11.511 204 H GLN 26 H GLN 26 8.916 -3.102 -14.122 205 HA GLN 26 HA GLN 26 7.616 -0.669 -13.307 206 HB2 GLN 26 1HB GLN 26 8.839 -1.402 -15.968 207 HB3 GLN 26 2HB GLN 26 8.382 0.225 -15.471 208 HG2 GLN 26 1HG GLN 26 10.504 -1.463 -14.048 209 HG3 GLN 26 2HG GLN 26 10.824 -0.282 -15.300 210 HE21 GLN 26 1HE2 GLN 26 12.253 0.740 -13.667 211 HE22 GLN 26 2HE2 GLN 26 11.504 1.861 -12.534 212 H LYS 27 H LYS 27 6.253 -3.407 -14.821 213 HA LYS 27 HA LYS 27 3.962 -1.910 -15.989 214 HB2 LYS 27 1HB LYS 27 4.398 -4.906 -15.658 215 HB3 LYS 27 2HB LYS 27 3.125 -4.138 -16.596 216 HG2 LYS 27 1HG LYS 27 6.103 -3.933 -17.211 217 HG3 LYS 27 2HG LYS 27 4.972 -5.040 -17.979 218 HD2 LYS 27 1HD LYS 27 3.684 -3.209 -18.932 219 HD3 LYS 27 2HD LYS 27 4.681 -1.997 -18.114 220 HE2 LYS 27 1HE LYS 27 5.825 -4.063 -20.031 221 HE3 LYS 27 2HE LYS 27 5.221 -2.498 -20.586 222 HZ1 LYS 27 1HZ LYS 27 6.874 -1.380 -19.314 223 HZ2 LYS 27 2HZ LYS 27 7.687 -2.586 -20.075 224 HZ3 LYS 27 3HZ LYS 27 7.314 -2.736 -18.505 225 H LYS 28 H LYS 28 4.756 -3.353 -12.901 226 HA LYS 28 HA LYS 28 1.939 -3.634 -12.050 227 HB2 LYS 28 1HB LYS 28 4.611 -4.014 -10.657 228 HB3 LYS 28 2HB LYS 28 3.091 -3.907 -9.747 229 HG2 LYS 28 1HG LYS 28 2.157 -5.808 -10.952 230 HG3 LYS 28 2HG LYS 28 3.591 -5.902 -11.985 231 HD2 LYS 28 1HD LYS 28 3.717 -7.617 -10.281 232 HD3 LYS 28 2HD LYS 28 4.992 -6.425 -10.000 233 HE2 LYS 28 1HE LYS 28 3.677 -5.382 -8.207 234 HE3 LYS 28 2HE LYS 28 2.345 -6.513 -8.495 235 HZ1 LYS 28 1HZ LYS 28 3.756 -8.320 -7.798 236 HZ2 LYS 28 2HZ LYS 28 3.881 -7.162 -6.646 237 HZ3 LYS 28 3HZ LYS 28 5.085 -7.364 -7.716 238 HA PRO 29 HA PRO 29 1.595 0.633 -10.724 239 HB2 PRO 29 1HB PRO 29 -0.495 0.454 -8.947 240 HB3 PRO 29 2HB PRO 29 -0.707 0.315 -10.710 241 HG2 PRO 29 1HG PRO 29 -0.536 -1.899 -8.685 242 HG3 PRO 29 2HG PRO 29 -1.665 -1.744 -10.061 243 HD2 PRO 29 1HD PRO 29 0.602 -3.291 -10.124 244 HD3 PRO 29 2HD PRO 29 -0.048 -2.494 -11.582 245 H LEU 30 H LEU 30 2.400 1.940 -9.126 246 HA LEU 30 HA LEU 30 4.076 0.776 -7.129 247 HB2 LEU 30 1HB LEU 30 2.988 3.569 -7.571 248 HB3 LEU 30 2HB LEU 30 4.056 3.208 -6.217 249 HG LEU 30 HG LEU 30 4.859 2.510 -9.065 250 HD11 LEU 30 1HD1 LEU 30 4.335 4.874 -9.009 251 HD12 LEU 30 2HD1 LEU 30 6.090 4.640 -9.089 252 HD13 LEU 30 3HD1 LEU 30 5.328 5.098 -7.546 253 HD21 LEU 30 1HD2 LEU 30 6.195 1.470 -7.240 254 HD22 LEU 30 2HD2 LEU 30 6.484 3.078 -6.543 255 HD23 LEU 30 3HD2 LEU 30 7.138 2.661 -8.142 256 H SER 31 H SER 31 0.666 1.807 -6.869 257 HA SER 31 HA SER 31 0.467 1.692 -4.027 258 HB2 SER 31 1HB SER 31 -1.316 2.585 -5.435 259 HB3 SER 31 2HB SER 31 -1.591 0.990 -6.157 260 HG SER 31 HG SER 31 -3.074 1.500 -4.471 261 H ALA 32 H ALA 32 0.073 -0.983 -6.438 262 HA ALA 32 HA ALA 32 -0.394 -3.020 -4.451 263 HB1 ALA 32 1HB ALA 32 0.037 -4.576 -6.303 264 HB2 ALA 32 2HB ALA 32 -1.026 -3.259 -6.829 265 HB3 ALA 32 3HB ALA 32 0.698 -3.259 -7.291 266 H ILE 33 H ILE 33 2.593 -1.832 -6.035 267 HA ILE 33 HA ILE 33 4.388 -3.730 -4.828 268 HB ILE 33 HB ILE 33 4.830 -0.923 -5.904 269 HG12 ILE 33 1HG1 ILE 33 5.528 -3.639 -7.112 270 HG13 ILE 33 2HG1 ILE 33 4.050 -2.773 -7.494 271 HG21 ILE 33 1HG2 ILE 33 6.639 -1.469 -4.285 272 HG22 ILE 33 2HG2 ILE 33 6.945 -2.987 -5.154 273 HG23 ILE 33 3HG2 ILE 33 7.238 -1.413 -5.928 274 HD11 ILE 33 1HD1 ILE 33 5.649 -2.384 -9.246 275 HD12 ILE 33 2HD1 ILE 33 5.380 -0.862 -8.374 276 HD13 ILE 33 3HD1 ILE 33 6.861 -1.813 -8.097 277 H ILE 34 H ILE 34 3.454 -0.399 -3.756 278 HA ILE 34 HA ILE 34 5.008 -0.403 -1.359 279 HB ILE 34 HB ILE 34 2.536 1.142 -2.199 280 HG12 ILE 34 1HG1 ILE 34 5.387 2.168 -1.849 281 HG13 ILE 34 2HG1 ILE 34 4.887 1.420 -3.355 282 HG21 ILE 34 1HG2 ILE 34 2.557 1.148 0.261 283 HG22 ILE 34 2HG2 ILE 34 4.278 1.592 0.273 284 HG23 ILE 34 3HG2 ILE 34 3.045 2.720 -0.332 285 HD11 ILE 34 1HD1 ILE 34 3.626 3.909 -2.147 286 HD12 ILE 34 2HD1 ILE 34 4.704 3.826 -3.550 287 HD13 ILE 34 3HD1 ILE 34 3.084 3.106 -3.628 288 H LYS 35 H LYS 35 1.655 -1.541 -1.960 289 HA LYS 35 HA LYS 35 1.049 -2.324 0.718 290 HB2 LYS 35 1HB LYS 35 -0.516 -2.186 -1.267 291 HB3 LYS 35 2HB LYS 35 0.132 -3.736 -1.809 292 HG2 LYS 35 1HG LYS 35 -0.582 -4.770 0.345 293 HG3 LYS 35 2HG LYS 35 -1.189 -3.191 0.888 294 HD2 LYS 35 1HD LYS 35 -2.785 -3.166 -1.031 295 HD3 LYS 35 2HD LYS 35 -2.191 -4.765 -1.529 296 HE2 LYS 35 1HE LYS 35 -2.870 -5.689 0.684 297 HE3 LYS 35 2HE LYS 35 -3.472 -4.097 1.161 298 HZ1 LYS 35 1HZ LYS 35 -5.084 -4.232 -0.667 299 HZ2 LYS 35 2HZ LYS 35 -5.265 -5.509 0.331 300 HZ3 LYS 35 3HZ LYS 35 -4.526 -5.705 -1.109 301 H GLU 36 H GLU 36 2.863 -4.076 -1.839 302 HA GLU 36 HA GLU 36 3.370 -6.416 -0.207 303 HB2 GLU 36 1HB GLU 36 4.362 -5.310 -2.847 304 HB3 GLU 36 2HB GLU 36 5.089 -6.727 -2.130 305 HG2 GLU 36 1HG GLU 36 2.941 -7.894 -2.091 306 HG3 GLU 36 2HG GLU 36 2.103 -6.459 -2.680 307 H VAL 37 H VAL 37 5.051 -3.286 -0.541 308 HA VAL 37 HA VAL 37 7.432 -4.139 0.872 309 HB VAL 37 HB VAL 37 6.306 -1.315 0.850 310 HG11 VAL 37 1HG1 VAL 37 8.016 -1.808 2.611 311 HG12 VAL 37 2HG1 VAL 37 9.112 -2.406 1.363 312 HG13 VAL 37 3HG1 VAL 37 8.627 -0.699 1.377 313 HG21 VAL 37 1HG2 VAL 37 8.376 -2.541 -0.996 314 HG22 VAL 37 2HG2 VAL 37 6.767 -2.008 -1.476 315 HG23 VAL 37 3HG2 VAL 37 7.930 -0.823 -0.912 316 H CYS 38 H CYS 38 4.587 -2.247 2.010 317 HA CYS 38 HA CYS 38 5.452 -2.155 4.713 318 HB2 CYS 38 1HB CYS 38 3.222 -1.216 5.155 319 HB3 CYS 38 2HB CYS 38 3.957 -0.504 3.726 320 HG CYS 38 HG CYS 38 2.620 -1.798 1.984 321 H ASP 39 H ASP 39 3.265 -4.527 3.143 322 HA ASP 39 HA ASP 39 2.494 -5.953 5.465 323 HB2 ASP 39 1HB ASP 39 1.547 -6.230 3.190 324 HB3 ASP 39 2HB ASP 39 3.053 -6.984 2.654 325 H GLY 40 H GLY 40 5.592 -5.986 3.743 326 HA2 GLY 40 1HA GLY 40 6.728 -8.385 4.844 327 HA3 GLY 40 2HA GLY 40 7.600 -6.989 4.190 328 H TRP 41 H TRP 41 6.293 -5.158 6.194 329 HA TRP 41 HA TRP 41 7.647 -5.996 8.724 330 HB2 TRP 41 1HB TRP 41 7.262 -3.248 7.507 331 HB3 TRP 41 2HB TRP 41 7.888 -3.540 9.127 332 HD1 TRP 41 HD TRP 41 10.070 -5.565 8.882 333 HE1 TRP 41 1HE TRP 41 12.187 -5.242 7.464 334 HE3 TRP 41 3HE TRP 41 8.345 -1.993 5.642 335 HZ2 TRP 41 2HZ TRP 41 13.040 -3.617 5.251 336 HZ3 TRP 41 3HZ TRP 41 9.859 -1.056 3.900 337 HH2 TRP 41 HH TRP 41 12.177 -1.862 3.692 338 H SER 42 H SER 42 4.716 -6.216 7.592 339 HA SER 42 HA SER 42 2.598 -6.092 8.297 340 HB2 SER 42 1HB SER 42 3.644 -7.562 10.022 341 HB3 SER 42 2HB SER 42 3.715 -6.169 11.112 342 HG SER 42 HG SER 42 1.451 -6.022 10.984 343 H LEU 43 H LEU 43 3.776 -3.535 7.734 344 HA LEU 43 HA LEU 43 2.705 -1.575 9.650 345 HB2 LEU 43 1HB LEU 43 4.116 -1.431 6.981 346 HB3 LEU 43 2HB LEU 43 3.537 0.019 7.787 347 HG LEU 43 HG LEU 43 5.504 -1.968 9.028 348 HD11 LEU 43 1HD1 LEU 43 6.397 -0.978 6.939 349 HD12 LEU 43 2HD1 LEU 43 7.275 -0.456 8.375 350 HD13 LEU 43 3HD1 LEU 43 6.114 0.648 7.603 351 HD21 LEU 43 1HD2 LEU 43 4.384 -0.518 10.688 352 HD22 LEU 43 2HD2 LEU 43 4.826 0.922 9.739 353 HD23 LEU 43 3HD2 LEU 43 6.084 -0.073 10.504 354 H ALA 44 H ALA 44 0.788 -0.584 9.542 355 HA ALA 44 HA ALA 44 -1.240 -1.584 7.710 356 HB1 ALA 44 1HB ALA 44 -2.763 -0.327 9.181 357 HB2 ALA 44 2HB ALA 44 -1.633 -1.304 10.134 358 HB3 ALA 44 3HB ALA 44 -1.379 0.451 9.977 359 H ASN 45 H ASN 45 -2.809 -0.175 6.694 360 HA ASN 45 HA ASN 45 -3.467 1.346 5.138 361 HB2 ASN 45 1HB ASN 45 -2.141 3.270 7.075 362 HB3 ASN 45 2HB ASN 45 -3.402 3.668 5.917 363 HD21 ASN 45 1HD2 ASN 45 -3.020 3.265 9.108 364 HD22 ASN 45 2HD2 ASN 45 -4.589 2.578 9.504 365 H HIS 46 H HIS 46 -1.894 0.351 3.527 366 HA HIS 46 HA HIS 46 0.636 1.518 3.025 367 HB2 HIS 46 1HB HIS 46 0.701 0.068 1.212 368 HB3 HIS 46 2HB HIS 46 -0.365 -0.765 2.337 369 HD2 HIS 46 2HD HIS 46 -0.248 0.963 -0.996 370 HE1 HIS 46 1HE HIS 46 -4.222 -0.531 -0.708 371 HE2 HIS 46 2HE HIS 46 -2.512 0.545 -2.282 372 H GLU 47 H GLU 47 -2.548 2.589 2.131 373 HA GLU 47 HA GLU 47 -2.108 4.346 -0.034 374 HB2 GLU 47 1HB GLU 47 -3.837 4.763 2.445 375 HB3 GLU 47 2HB GLU 47 -4.027 5.616 0.923 376 HG2 GLU 47 1HG GLU 47 -4.456 2.630 1.372 377 HG3 GLU 47 2HG GLU 47 -5.708 3.858 1.286 378 H TYR 48 H TYR 48 -1.194 4.741 3.388 379 HA TYR 48 HA TYR 48 -0.627 7.600 3.187 380 HB2 TYR 48 1HB TYR 48 0.297 5.551 5.232 381 HB3 TYR 48 2HB TYR 48 0.385 7.292 5.398 382 HD1 TYR 48 1HD TYR 48 -0.552 6.084 7.605 383 HD2 TYR 48 2HD TYR 48 -2.835 6.942 4.039 384 HE1 TYR 48 1HE TYR 48 -2.633 6.082 8.939 385 HE2 TYR 48 2HE TYR 48 -4.925 6.845 5.357 386 HH TYR 48 HH TYR 48 -4.931 6.287 8.905 387 H PHE 49 H PHE 49 1.112 4.731 2.299 388 HA PHE 49 HA PHE 49 3.759 5.915 2.847 389 HB2 PHE 49 1HB PHE 49 2.779 3.117 2.324 390 HB3 PHE 49 2HB PHE 49 4.475 3.530 2.167 391 HD1 PHE 49 1HD PHE 49 1.654 3.295 4.586 392 HD2 PHE 49 2HD PHE 49 5.875 4.031 4.067 393 HE1 PHE 49 1HE PHE 49 1.970 3.208 7.040 394 HE2 PHE 49 2HE PHE 49 6.177 3.969 6.528 395 HZ PHE 49 HZ PHE 49 4.234 3.541 8.020 396 H ALA 50 H ALA 50 5.462 5.771 1.471 397 HA ALA 50 HA ALA 50 5.142 5.421 -1.426 398 HB1 ALA 50 1HB ALA 50 6.156 7.995 -0.119 399 HB2 ALA 50 2HB ALA 50 6.218 7.619 -1.855 400 HB3 ALA 50 3HB ALA 50 4.650 7.826 -1.051 401 H LEU 51 H LEU 51 7.173 5.096 -2.453 402 HA LEU 51 HA LEU 51 9.422 4.289 -0.679 403 HB2 LEU 51 1HB LEU 51 8.705 3.851 -3.586 404 HB3 LEU 51 2HB LEU 51 10.366 3.640 -3.035 405 HG LEU 51 HG LEU 51 7.998 2.169 -1.792 406 HD11 LEU 51 1HD1 LEU 51 9.940 1.228 -3.938 407 HD12 LEU 51 2HD1 LEU 51 8.209 1.561 -4.167 408 HD13 LEU 51 3HD1 LEU 51 8.720 0.224 -3.125 409 HD21 LEU 51 1HD2 LEU 51 9.776 0.625 -0.989 410 HD22 LEU 51 2HD2 LEU 51 9.991 2.242 -0.333 411 HD23 LEU 51 3HD2 LEU 51 11.014 1.690 -1.678 412 H GLN 52 H GLN 52 11.473 5.244 -0.924 413 HA GLN 52 HA GLN 52 11.708 7.727 -2.545 414 HB2 GLN 52 1HB GLN 52 10.837 8.313 -0.276 415 HB3 GLN 52 2HB GLN 52 12.265 7.552 0.445 416 HG2 GLN 52 1HG GLN 52 13.703 9.240 -0.744 417 HG3 GLN 52 2HG GLN 52 12.238 9.953 -1.429 418 HE21 GLN 52 1HE2 GLN 52 12.786 11.999 -0.433 419 HE22 GLN 52 2HE2 GLN 52 12.523 12.205 1.291 420 H HIS 53 H HIS 53 13.799 8.237 -3.158 421 HA HIS 53 HA HIS 53 15.760 6.101 -3.244 422 HB2 HIS 53 1HB HIS 53 15.816 9.032 -3.975 423 HB3 HIS 53 2HB HIS 53 17.288 8.063 -3.967 424 HD2 HIS 53 2HD HIS 53 14.174 8.653 -6.058 425 HE1 HIS 53 1HE HIS 53 16.419 5.634 -8.063 426 HE2 HIS 53 2HE HIS 53 14.459 7.250 -8.270 427 H ALA 54 H ALA 54 17.344 5.519 -1.892 428 HA ALA 54 HA ALA 54 17.947 7.269 0.462 429 HB1 ALA 54 1HB ALA 54 16.953 5.041 0.890 430 HB2 ALA 54 2HB ALA 54 18.345 4.287 0.088 431 HB3 ALA 54 3HB ALA 54 18.581 5.213 1.582 432 H ASP 55 H ASP 55 19.441 5.607 -2.300 433 HA ASP 55 HA ASP 55 22.158 5.861 -1.450 434 HB2 ASP 55 1HB ASP 55 21.301 4.307 -3.194 435 HB3 ASP 55 2HB ASP 55 20.987 5.680 -4.255 436 H SER 56 H SER 56 20.083 8.100 -3.311 437 HA SER 56 HA SER 56 21.877 10.354 -2.819 438 HB2 SER 56 1HB SER 56 22.978 9.309 -4.763 439 HB3 SER 56 2HB SER 56 21.451 9.344 -5.662 440 HG SER 56 HG SER 56 22.900 11.113 -6.129 441 H SER 57 H SER 57 20.977 12.335 -3.297 442 HA SER 57 HA SER 57 19.489 13.985 -3.490 443 HB2 SER 57 1HB SER 57 18.482 12.288 -5.784 444 HB3 SER 57 2HB SER 57 18.210 14.026 -5.564 445 HG SER 57 HG SER 57 20.737 12.724 -5.849 446 H ASN 58 H ASN 58 17.853 11.023 -2.762 447 HA ASN 58 HA ASN 58 15.911 10.577 -1.678 448 HB2 ASN 58 1HB ASN 58 16.244 13.328 -0.478 449 HB3 ASN 58 2HB ASN 58 15.369 11.960 0.208 450 HD21 ASN 58 1HD2 ASN 58 17.187 9.813 -0.160 451 HD22 ASN 58 2HD2 ASN 58 18.637 10.213 0.762 452 H PHE 59 H PHE 59 15.448 11.472 -4.345 453 HA PHE 59 HA PHE 59 12.929 12.911 -4.352 454 HB2 PHE 59 1HB PHE 59 13.902 10.858 -6.362 455 HB3 PHE 59 2HB PHE 59 12.661 12.072 -6.607 456 HD1 PHE 59 1HD PHE 59 13.672 14.614 -5.898 457 HD2 PHE 59 2HD PHE 59 15.844 11.276 -7.563 458 HE1 PHE 59 1HE PHE 59 15.352 16.176 -6.844 459 HE2 PHE 59 2HE PHE 59 17.514 12.846 -8.520 460 HZ PHE 59 HZ PHE 59 17.272 15.296 -8.161 461 H TYR 60 H TYR 60 10.862 12.169 -4.067 462 HA TYR 60 HA TYR 60 10.353 9.490 -3.017 463 HB2 TYR 60 1HB TYR 60 8.508 11.754 -3.843 464 HB3 TYR 60 2HB TYR 60 7.950 10.210 -3.220 465 HD1 TYR 60 1HD TYR 60 8.287 9.544 -0.889 466 HD2 TYR 60 2HD TYR 60 9.584 13.401 -2.331 467 HE1 TYR 60 1HE TYR 60 8.463 10.366 1.454 468 HE2 TYR 60 2HE TYR 60 9.808 14.200 0.019 469 HH TYR 60 HH TYR 60 9.011 12.117 2.824 470 H ILE 61 H ILE 61 9.276 7.795 -4.082 471 HA ILE 61 HA ILE 61 9.566 7.749 -7.011 472 HB ILE 61 HB ILE 61 8.707 5.582 -5.082 473 HG12 ILE 61 1HG1 ILE 61 10.977 6.106 -4.543 474 HG13 ILE 61 2HG1 ILE 61 10.997 4.642 -5.498 475 HG21 ILE 61 1HG2 ILE 61 7.873 5.097 -7.314 476 HG22 ILE 61 2HG2 ILE 61 9.463 5.420 -8.029 477 HG23 ILE 61 3HG2 ILE 61 9.220 4.028 -6.950 478 HD11 ILE 61 1HD1 ILE 61 12.818 6.026 -6.198 479 HD12 ILE 61 2HD1 ILE 61 11.638 6.076 -7.521 480 HD13 ILE 61 3HD1 ILE 61 11.782 7.450 -6.406 481 H THR 62 H THR 62 8.018 7.736 -8.460 482 HA THR 62 HA THR 62 5.139 7.697 -7.801 483 HB THR 62 HB THR 62 4.670 9.756 -8.933 484 HG1 THR 62 1HG THR 62 6.417 11.061 -9.682 485 HG21 THR 62 1HG2 THR 62 5.365 10.059 -6.543 486 HG22 THR 62 2HG2 THR 62 5.640 11.480 -7.563 487 HG23 THR 62 3HG2 THR 62 7.008 10.445 -7.110 488 H GLU 63 H GLU 63 3.856 7.685 -9.930 489 HA GLU 63 HA GLU 63 4.951 5.791 -11.778 490 HB2 GLU 63 1HB GLU 63 2.571 7.653 -12.046 491 HB3 GLU 63 2HB GLU 63 2.921 6.317 -13.136 492 HG2 GLU 63 1HG GLU 63 2.302 6.063 -10.157 493 HG3 GLU 63 2HG GLU 63 1.176 5.768 -11.470 494 H LYS 64 H LYS 64 5.446 9.189 -11.614 495 HA LYS 64 HA LYS 64 6.464 9.419 -14.394 496 HB2 LYS 64 1HB LYS 64 5.133 11.233 -13.307 497 HB3 LYS 64 2HB LYS 64 6.423 11.443 -12.115 498 HG2 LYS 64 1HG LYS 64 8.000 12.078 -13.909 499 HG3 LYS 64 2HG LYS 64 6.750 11.774 -15.133 500 HD2 LYS 64 1HD LYS 64 5.349 13.568 -14.139 501 HD3 LYS 64 2HD LYS 64 6.601 13.864 -12.911 502 HE2 LYS 64 1HE LYS 64 8.228 14.415 -14.706 503 HE3 LYS 64 2HE LYS 64 6.989 14.114 -15.930 504 HZ1 LYS 64 1HZ LYS 64 6.842 16.230 -13.845 505 HZ2 LYS 64 2HZ LYS 64 5.696 15.952 -14.978 506 HZ3 LYS 64 3HZ LYS 64 7.173 16.481 -15.423 507 H ASN 65 H ASN 65 7.733 9.123 -11.086 508 HA ASN 65 HA ASN 65 10.500 9.678 -11.966 509 HB2 ASN 65 1HB ASN 65 9.267 9.111 -9.240 510 HB3 ASN 65 2HB ASN 65 10.970 9.459 -9.505 511 HD21 ASN 65 1HD2 ASN 65 9.711 11.018 -7.745 512 HD22 ASN 65 2HD2 ASN 65 9.474 12.613 -8.445 513 H ARG 66 H ARG 66 8.620 6.821 -11.168 514 HA ARG 66 HA ARG 66 10.562 5.088 -10.187 515 HB2 ARG 66 1HB ARG 66 9.048 3.288 -10.837 516 HB3 ARG 66 2HB ARG 66 8.168 4.649 -10.150 517 HG2 ARG 66 1HG ARG 66 7.567 5.426 -12.467 518 HG3 ARG 66 2HG ARG 66 8.406 4.032 -13.140 519 HD2 ARG 66 1HD ARG 66 5.998 3.968 -11.292 520 HD3 ARG 66 2HD ARG 66 5.987 3.673 -13.041 521 HE ARG 66 HE ARG 66 7.818 1.837 -12.001 522 HH11 ARG 66 1HH1 ARG 66 4.326 2.379 -11.838 523 HH12 ARG 66 2HH1 ARG 66 4.075 0.687 -11.407 524 HH21 ARG 66 1HH2 ARG 66 7.323 -0.199 -11.240 525 HH22 ARG 66 2HH2 ARG 66 5.646 -0.684 -11.142 526 H ASN 67 H ASN 67 10.273 5.970 -13.543 527 HA ASN 67 HA ASN 67 11.812 3.771 -14.633 528 HB2 ASN 67 1HB ASN 67 12.013 5.321 -16.623 529 HB3 ASN 67 2HB ASN 67 10.373 4.966 -16.102 530 HD21 ASN 67 1HD2 ASN 67 9.016 6.691 -15.729 531 HD22 ASN 67 2HD2 ASN 67 9.578 8.321 -15.381 532 H GLU 68 H GLU 68 12.818 6.534 -12.760 533 HA GLU 68 HA GLU 68 15.589 6.509 -13.711 534 HB2 GLU 68 1HB GLU 68 14.359 7.746 -11.215 535 HB3 GLU 68 2HB GLU 68 16.001 7.996 -11.815 536 HG2 GLU 68 1HG GLU 68 15.032 8.901 -13.960 537 HG3 GLU 68 2HG GLU 68 13.424 8.790 -13.241 538 H ILE 69 H ILE 69 13.800 4.462 -11.578 539 HA ILE 69 HA ILE 69 15.933 3.668 -9.787 540 HB ILE 69 HB ILE 69 13.389 2.220 -10.616 541 HG12 ILE 69 1HG1 ILE 69 13.962 3.908 -8.129 542 HG13 ILE 69 2HG1 ILE 69 12.990 4.433 -9.502 543 HG21 ILE 69 1HG2 ILE 69 13.704 0.818 -8.641 544 HG22 ILE 69 2HG2 ILE 69 15.103 0.663 -9.679 545 HG23 ILE 69 3HG2 ILE 69 15.201 1.685 -8.229 546 HD11 ILE 69 1HD1 ILE 69 12.307 2.225 -7.544 547 HD12 ILE 69 2HD1 ILE 69 11.462 3.743 -7.828 548 HD13 ILE 69 3HD1 ILE 69 11.427 2.487 -9.076 549 H LYS 70 H LYS 70 17.379 2.055 -9.959 550 HA LYS 70 HA LYS 70 17.550 0.479 -12.492 551 HB2 LYS 70 1HB LYS 70 19.855 1.791 -10.980 552 HB3 LYS 70 2HB LYS 70 20.013 0.803 -12.440 553 HG2 LYS 70 1HG LYS 70 18.744 2.461 -13.749 554 HG3 LYS 70 2HG LYS 70 18.467 3.421 -12.292 555 HD2 LYS 70 1HD LYS 70 20.975 3.694 -12.056 556 HD3 LYS 70 2HD LYS 70 21.130 2.926 -13.644 557 HE2 LYS 70 1HE LYS 70 21.168 5.299 -13.999 558 HE3 LYS 70 2HE LYS 70 19.620 4.701 -14.601 559 HZ1 LYS 70 1HZ LYS 70 19.348 6.719 -13.268 560 HZ2 LYS 70 2HZ LYS 70 20.043 6.024 -11.967 561 HZ3 LYS 70 3HZ LYS 70 18.593 5.486 -12.503 562 H ASN 71 H ASN 71 18.916 -1.475 -12.328 563 HA ASN 71 HA ASN 71 18.002 -3.105 -10.174 564 HB2 ASN 71 1HB ASN 71 18.618 -3.830 -12.530 565 HB3 ASN 71 2HB ASN 71 20.318 -3.676 -12.076 566 HD21 ASN 71 1HD2 ASN 71 21.203 -5.630 -11.415 567 HD22 ASN 71 2HD2 ASN 71 20.266 -6.928 -10.688 568 H GLY 72 H GLY 72 18.656 -3.188 -8.147 569 HA2 GLY 72 1HA GLY 72 20.182 -3.486 -6.369 570 HA3 GLY 72 2HA GLY 72 21.495 -2.828 -7.339 571 H THR 73 H THR 73 18.648 -0.841 -7.500 572 HA THR 73 HA THR 73 19.901 1.362 -6.147 573 HB THR 73 HB THR 73 16.973 0.955 -6.843 574 HG1 THR 73 1HG THR 73 18.334 0.979 -8.594 575 HG21 THR 73 1HG2 THR 73 18.460 3.521 -6.126 576 HG22 THR 73 2HG2 THR 73 17.148 2.773 -5.189 577 HG23 THR 73 3HG2 THR 73 16.816 3.425 -6.792 578 H ILE 74 H ILE 74 19.955 2.005 -4.061 579 HA ILE 74 HA ILE 74 18.477 0.482 -2.016 580 HB ILE 74 HB ILE 74 20.355 2.803 -1.542 581 HG12 ILE 74 1HG1 ILE 74 21.069 -0.171 -1.549 582 HG13 ILE 74 2HG1 ILE 74 21.537 0.971 -2.810 583 HG21 ILE 74 1HG2 ILE 74 18.764 2.084 0.318 584 HG22 ILE 74 2HG2 ILE 74 19.508 0.485 0.264 585 HG23 ILE 74 3HG2 ILE 74 20.462 1.909 0.733 586 HD11 ILE 74 1HD1 ILE 74 22.777 2.328 -1.147 587 HD12 ILE 74 2HD1 ILE 74 22.467 1.062 0.071 588 HD13 ILE 74 3HD1 ILE 74 23.411 0.685 -1.378 589 H LEU 75 H LEU 75 16.643 1.116 -1.168 590 HA LEU 75 HA LEU 75 15.592 3.891 -1.568 591 HB2 LEU 75 1HB LEU 75 14.080 1.257 -1.690 592 HB3 LEU 75 2HB LEU 75 13.347 2.852 -1.802 593 HG LEU 75 HG LEU 75 15.226 1.612 -3.857 594 HD11 LEU 75 1HD1 LEU 75 13.211 1.543 -5.256 595 HD12 LEU 75 2HD1 LEU 75 12.244 2.235 -3.941 596 HD13 LEU 75 3HD1 LEU 75 12.957 0.616 -3.768 597 HD21 LEU 75 1HD2 LEU 75 15.498 4.036 -3.892 598 HD22 LEU 75 2HD2 LEU 75 13.734 4.278 -3.864 599 HD23 LEU 75 3HD2 LEU 75 14.525 3.552 -5.279 600 H ARG 76 H ARG 76 13.760 4.333 -0.061 601 HA ARG 76 HA ARG 76 13.787 2.858 2.547 602 HB2 ARG 76 1HB ARG 76 14.036 5.830 2.044 603 HB3 ARG 76 2HB ARG 76 13.139 5.263 3.456 604 HG2 ARG 76 1HG ARG 76 15.077 3.999 4.251 605 HG3 ARG 76 2HG ARG 76 16.048 4.588 2.896 606 HD2 ARG 76 1HD ARG 76 14.776 6.262 5.115 607 HD3 ARG 76 2HD ARG 76 16.474 5.839 4.977 608 HE ARG 76 HE ARG 76 16.788 7.393 3.254 609 HH11 ARG 76 1HH1 ARG 76 13.400 7.475 4.213 610 HH12 ARG 76 2HH1 ARG 76 13.090 8.871 3.195 611 HH21 ARG 76 1HH2 ARG 76 16.299 9.314 2.190 612 HH22 ARG 76 2HH2 ARG 76 14.663 9.923 2.270 613 H LEU 77 H LEU 77 11.845 2.565 3.477 614 HA LEU 77 HA LEU 77 9.385 3.348 1.995 615 HB2 LEU 77 1HB LEU 77 9.462 1.088 2.839 616 HB3 LEU 77 2HB LEU 77 9.885 1.640 4.462 617 HG LEU 77 HG LEU 77 7.605 2.760 4.537 618 HD11 LEU 77 1HD1 LEU 77 5.916 1.816 2.895 619 HD12 LEU 77 2HD1 LEU 77 7.252 1.124 1.970 620 HD13 LEU 77 3HD1 LEU 77 7.100 2.885 2.120 621 HD21 LEU 77 1HD2 LEU 77 8.047 0.588 5.594 622 HD22 LEU 77 2HD2 LEU 77 7.612 -0.233 4.081 623 HD23 LEU 77 3HD2 LEU 77 6.390 0.699 4.973 624 H THR 78 H THR 78 8.095 5.040 2.640 625 HA THR 78 HA THR 78 8.441 6.355 5.262 626 HB THR 78 HB THR 78 10.298 7.271 4.044 627 HG1 THR 78 1HG THR 78 9.758 9.404 4.179 628 HG21 THR 78 1HG2 THR 78 10.017 8.614 1.974 629 HG22 THR 78 2HG2 THR 78 8.346 8.017 1.827 630 HG23 THR 78 3HG2 THR 78 9.723 6.901 1.709 631 H THR 79 H THR 79 6.752 7.970 5.695 632 HA THR 79 HA THR 79 4.274 7.475 4.193 633 HB THR 79 HB THR 79 3.310 9.255 5.676 634 HG1 THR 79 1HG THR 79 5.244 10.242 6.336 635 HG21 THR 79 1HG2 THR 79 4.498 6.810 7.036 636 HG22 THR 79 2HG2 THR 79 2.984 6.860 6.104 637 HG23 THR 79 3HG2 THR 79 3.117 7.776 7.608 638 H SER 80 H SER 80 3.304 8.770 2.765 639 HA SER 80 HA SER 80 4.952 10.255 1.025 640 HB2 SER 80 1HB SER 80 3.050 9.026 0.231 641 HB3 SER 80 2HB SER 80 1.940 9.955 1.248 642 HG SER 80 HG SER 80 2.083 10.573 -1.042 643 HA PRO 81 HA PRO 81 4.573 14.494 2.569 644 HB2 PRO 81 1HB PRO 81 4.991 15.928 0.265 645 HB3 PRO 81 2HB PRO 81 6.291 15.072 1.147 646 HG2 PRO 81 1HG PRO 81 4.703 14.073 -1.244 647 HG3 PRO 81 2HG PRO 81 6.487 14.102 -1.031 648 HD2 PRO 81 1HD PRO 81 5.073 11.866 -0.522 649 HD3 PRO 81 2HD PRO 81 6.415 12.342 0.552 650 H ALA 82 H ALA 82 2.401 13.014 0.296 651 HA ALA 82 HA ALA 82 0.489 15.180 0.078 652 HB1 ALA 82 1HB ALA 82 -0.941 13.438 -0.876 653 HB2 ALA 82 2HB ALA 82 0.696 13.308 -1.543 654 HB3 ALA 82 3HB ALA 82 0.152 12.172 -0.284 655 H GLN 83 H GLN 83 1.275 13.153 2.769 656 HA GLN 83 HA GLN 83 -1.329 12.870 3.953 657 HB2 GLN 83 1HB GLN 83 1.458 12.880 5.167 658 HB3 GLN 83 2HB GLN 83 -0.002 12.498 6.074 659 HG2 GLN 83 1HG GLN 83 0.941 10.939 3.617 660 HG3 GLN 83 2HG GLN 83 1.252 10.483 5.288 661 HE21 GLN 83 1HE2 GLN 83 -0.717 10.034 6.700 662 HE22 GLN 83 2HE2 GLN 83 -2.107 9.343 5.878 663 H ASN 84 H ASN 84 -2.291 13.957 5.688 664 HA ASN 84 HA ASN 84 -2.367 16.780 5.315 665 HB2 ASN 84 1HB ASN 84 -4.293 15.238 5.843 666 HB3 ASN 84 2HB ASN 84 -3.666 15.082 7.487 667 HD21 ASN 84 1HD2 ASN 84 -5.391 16.094 8.578 668 HD22 ASN 84 2HD2 ASN 84 -5.804 17.781 8.305 669 H ALA 85 H ALA 85 -2.248 18.461 6.925 670 HA ALA 85 HA ALA 85 -0.601 18.069 9.330 671 HB1 ALA 85 1HB ALA 85 0.220 19.970 7.088 672 HB2 ALA 85 2HB ALA 85 0.994 19.842 8.682 673 HB3 ALA 85 3HB ALA 85 1.069 18.478 7.552 674 H GLN 86 H GLN 86 -0.630 19.943 10.763 675 HA GLN 86 HA GLN 86 -3.276 21.049 10.962 676 HB2 GLN 86 1HB GLN 86 -2.543 22.016 13.021 677 HB3 GLN 86 2HB GLN 86 -1.960 20.362 12.924 678 HG2 GLN 86 1HG GLN 86 0.303 21.052 12.612 679 HG3 GLN 86 2HG GLN 86 -0.150 22.690 12.146 680 HE21 GLN 86 1HE2 GLN 86 -1.085 24.154 13.831 681 HE22 GLN 86 2HE2 GLN 86 -0.585 23.870 15.500 682 H GLN 87 H GLN 87 -3.840 23.276 11.328 683 HA GLN 87 HA GLN 87 -2.688 25.214 9.440 684 HB2 GLN 87 1HB GLN 87 -4.908 25.458 11.515 685 HB3 GLN 87 2HB GLN 87 -4.443 26.711 10.355 686 HG2 GLN 87 1HG GLN 87 -4.983 25.150 8.476 687 HG3 GLN 87 2HG GLN 87 -5.552 23.958 9.647 688 HE21 GLN 87 1HE2 GLN 87 -7.407 24.541 7.852 689 HE22 GLN 87 2HE2 GLN 87 -8.598 25.667 8.494 690 H LEU 88 H LEU 88 -1.997 27.368 10.150 691 HA LEU 88 HA LEU 88 -0.149 27.325 12.418 692 HB2 LEU 88 1HB LEU 88 -0.911 29.536 10.486 693 HB3 LEU 88 2HB LEU 88 0.382 29.612 11.681 694 HG LEU 88 HG LEU 88 0.271 27.738 9.273 695 HD11 LEU 88 1HD1 LEU 88 2.071 30.092 9.960 696 HD12 LEU 88 2HD1 LEU 88 0.752 30.106 8.769 697 HD13 LEU 88 3HD1 LEU 88 2.173 29.082 8.498 698 HD21 LEU 88 1HD2 LEU 88 2.422 28.046 11.419 699 HD22 LEU 88 2HD2 LEU 88 2.625 27.170 9.885 700 HD23 LEU 88 3HD2 LEU 88 1.465 26.584 11.076 701 H HIS 89 H HIS 89 -0.217 28.572 14.250 702 HA HIS 89 HA HIS 89 -2.873 29.336 15.253 703 HB2 HIS 89 1HB HIS 89 -1.821 29.407 17.416 704 HB3 HIS 89 2HB HIS 89 -1.417 27.922 16.583 705 HD2 HIS 89 2HD HIS 89 0.953 30.448 15.203 706 HE1 HIS 89 1HE HIS 89 2.934 28.926 18.653 707 HE2 HIS 89 2HE HIS 89 3.215 30.287 16.520 708 H GLU 90 H GLU 90 -1.058 31.103 13.333 709 HA GLU 90 HA GLU 90 -0.497 33.499 14.824 710 HB2 GLU 90 1HB GLU 90 0.074 34.470 12.694 711 HB3 GLU 90 2HB GLU 90 0.755 32.849 12.840 712 HG2 GLU 90 1HG GLU 90 -1.008 31.947 11.367 713 HG3 GLU 90 2HG GLU 90 -1.785 33.531 11.293 714 H ARG 91 H ARG 91 -1.334 35.630 14.444 715 HA ARG 91 HA ARG 91 -4.145 35.925 13.566 716 HB2 ARG 91 1HB ARG 91 -4.034 35.401 16.055 717 HB3 ARG 91 2HB ARG 91 -3.089 36.880 16.272 718 HG2 ARG 91 1HG ARG 91 -5.027 38.194 15.320 719 HG3 ARG 91 2HG ARG 91 -5.894 36.664 15.128 720 HD2 ARG 91 1HD ARG 91 -6.705 37.717 17.121 721 HD3 ARG 91 2HD ARG 91 -5.714 36.339 17.630 722 HE ARG 91 HE ARG 91 -4.070 38.694 17.520 723 HH11 ARG 91 1HH1 ARG 91 -6.660 37.460 19.544 724 HH12 ARG 91 2HH1 ARG 91 -6.128 38.397 20.916 725 HH21 ARG 91 1HH2 ARG 91 -3.459 39.795 19.222 726 HH22 ARG 91 2HH2 ARG 91 -4.333 39.715 20.744 727 H ILE 92 H ILE 92 -4.596 37.937 12.713 728 HA ILE 92 HA ILE 92 -2.415 39.826 12.180 729 HB ILE 92 HB ILE 92 -5.405 40.006 11.653 730 HG12 ILE 92 1HG1 ILE 92 -3.069 39.463 9.754 731 HG13 ILE 92 2HG1 ILE 92 -4.164 38.230 10.377 732 HG21 ILE 92 1HG2 ILE 92 -4.850 41.952 10.214 733 HG22 ILE 92 2HG2 ILE 92 -4.415 42.276 11.875 734 HG23 ILE 92 3HG2 ILE 92 -3.147 41.842 10.704 735 HD11 ILE 92 1HD1 ILE 92 -4.874 38.762 8.166 736 HD12 ILE 92 2HD1 ILE 92 -6.088 39.410 9.288 737 HD13 ILE 92 3HD1 ILE 92 -4.913 40.498 8.502 738 H GLN 93 H GLN 93 -1.638 41.007 13.811 739 HA GLN 93 HA GLN 93 -3.244 41.640 16.173 740 HB2 GLN 93 1HB GLN 93 -0.431 42.571 15.539 741 HB3 GLN 93 2HB GLN 93 -1.192 42.451 17.119 742 HG2 GLN 93 1HG GLN 93 -0.335 40.125 15.336 743 HG3 GLN 93 2HG GLN 93 0.478 40.705 16.772 744 HE21 GLN 93 1HE2 GLN 93 0.160 38.193 17.054 745 HE22 GLN 93 2HE2 GLN 93 -1.242 37.772 18.025 746 H SER 94 H SER 94 -2.389 43.346 13.275 747 HA SER 94 HA SER 94 -2.891 46.043 14.323 748 HB2 SER 94 1HB SER 94 -1.188 45.427 12.534 749 HB3 SER 94 2HB SER 94 -2.557 45.167 11.439 750 HG SER 94 HG SER 94 -1.611 47.553 12.643 751 H SER 95 H SER 95 -4.314 47.371 12.598 752 HA SER 95 HA SER 95 -7.108 46.659 12.947 753 HB2 SER 95 1HB SER 95 -6.370 48.980 12.883 754 HB3 SER 95 2HB SER 95 -5.746 48.771 11.237 755 HG SER 95 HG SER 95 -7.900 49.737 11.442 756 H SER 96 H SER 96 -8.645 46.387 11.197 757 HA SER 96 HA SER 96 -7.882 44.314 9.290 758 HB2 SER 96 1HB SER 96 -10.502 45.822 9.650 759 HB3 SER 96 2HB SER 96 -10.257 44.409 8.612 760 HG SER 96 HG SER 96 -10.049 44.539 11.453 761 H MET 97 H MET 97 -7.850 47.754 9.088 762 HA MET 97 HA MET 97 -8.400 48.054 6.269 763 HB2 MET 97 1HB MET 97 -7.644 50.293 6.520 764 HB3 MET 97 2HB MET 97 -8.562 49.877 7.967 765 HG2 MET 97 1HG MET 97 -6.363 49.404 9.125 766 HG3 MET 97 2HG MET 97 -5.526 50.020 7.706 767 HE1 MET 97 1HE MET 97 -7.199 52.585 6.795 768 HE2 MET 97 2HE MET 97 -6.333 53.826 7.722 769 HE3 MET 97 3HE MET 97 -5.430 52.502 6.957 770 H ASP 98 H ASP 98 -6.855 48.756 4.626 771 HA ASP 98 HA ASP 98 -4.025 48.040 4.948 772 HB2 ASP 98 1HB ASP 98 -3.957 46.540 3.051 773 HB3 ASP 98 2HB ASP 98 -5.005 45.915 4.307 774 H ALA 99 H ALA 99 -2.941 48.380 2.626 775 HA ALA 99 HA ALA 99 -3.129 51.220 2.255 776 HB1 ALA 99 1HB ALA 99 -1.018 49.937 2.351 777 HB2 ALA 99 2HB ALA 99 -1.444 49.118 0.828 778 HB3 ALA 99 3HB ALA 99 -1.144 50.869 0.850 779 H LYS 100 H LYS 100 -5.100 48.963 0.764 780 HA LYS 100 HA LYS 100 -4.953 49.776 -2.005 781 HB2 LYS 100 1HB LYS 100 -5.812 47.579 -1.122 782 HB3 LYS 100 2HB LYS 100 -7.263 48.420 -0.555 783 HG2 LYS 100 1HG LYS 100 -7.822 49.054 -2.874 784 HG3 LYS 100 2HG LYS 100 -6.306 48.334 -3.455 785 HD2 LYS 100 1HD LYS 100 -7.068 46.107 -2.669 786 HD3 LYS 100 2HD LYS 100 -8.583 46.831 -2.085 787 HE2 LYS 100 1HE LYS 100 -9.118 47.573 -4.393 788 HE3 LYS 100 2HE LYS 100 -7.602 46.874 -4.977 789 HZ1 LYS 100 1HZ LYS 100 -9.822 45.328 -3.745 790 HZ2 LYS 100 2HZ LYS 100 -8.420 44.683 -4.286 791 HZ3 LYS 100 3HZ LYS 100 -9.466 45.362 -5.337 792 H LEU 101 H LEU 101 -6.255 51.108 -3.211 793 HA LEU 101 HA LEU 101 -7.253 53.507 -1.946 794 HB2 LEU 101 1HB LEU 101 -7.541 52.522 -4.811 795 HB3 LEU 101 2HB LEU 101 -7.883 54.156 -4.254 796 HG LEU 101 HG LEU 101 -5.137 52.822 -4.240 797 HD11 LEU 101 1HD1 LEU 101 -4.615 54.421 -6.026 798 HD12 LEU 101 2HD1 LEU 101 -6.278 55.052 -5.974 799 HD13 LEU 101 3HD1 LEU 101 -5.969 53.380 -6.494 800 HD21 LEU 101 1HD2 LEU 101 -4.288 55.106 -3.731 801 HD22 LEU 101 2HD2 LEU 101 -5.267 54.457 -2.415 802 HD23 LEU 101 3HD2 LEU 101 -5.960 55.671 -3.518 803 H GLU 102 H GLU 102 -9.343 54.402 -2.069 804 HA GLU 102 HA GLU 102 -11.507 52.553 -1.439 805 HB2 GLU 102 1HB GLU 102 -11.435 55.590 -1.587 806 HB3 GLU 102 2HB GLU 102 -12.770 54.637 -0.945 807 HG2 GLU 102 1HG GLU 102 -9.957 54.800 0.203 808 HG3 GLU 102 2HG GLU 102 -11.400 55.571 0.843 809 H ALA 103 H ALA 103 -10.903 51.911 -3.960 810 HA ALA 103 HA ALA 103 -12.447 53.257 -5.995 811 HB1 ALA 103 1HB ALA 103 -10.471 51.871 -6.489 812 HB2 ALA 103 2HB ALA 103 -11.316 50.429 -5.875 813 HB3 ALA 103 3HB ALA 103 -11.906 51.257 -7.333 814 H LEU 104 H LEU 104 -14.375 52.636 -6.990 815 HA LEU 104 HA LEU 104 -16.203 50.734 -5.613 816 HB2 LEU 104 1HB LEU 104 -16.792 53.647 -6.268 817 HB3 LEU 104 2HB LEU 104 -18.016 52.479 -5.793 818 HG LEU 104 HG LEU 104 -15.685 53.320 -4.010 819 HD11 LEU 104 1HD1 LEU 104 -17.363 54.624 -2.783 820 HD12 LEU 104 2HD1 LEU 104 -18.605 54.181 -3.978 821 HD13 LEU 104 3HD1 LEU 104 -17.220 55.191 -4.453 822 HD21 LEU 104 1HD2 LEU 104 -18.236 51.749 -3.410 823 HD22 LEU 104 2HD2 LEU 104 -17.042 52.289 -2.210 824 HD23 LEU 104 3HD2 LEU 104 -16.585 51.089 -3.421 825 H LYS 105 H LYS 105 -17.974 50.040 -6.852 826 HA LYS 105 HA LYS 105 -18.197 50.689 -9.710 827 HB2 LYS 105 1HB LYS 105 -16.370 48.987 -9.577 828 HB3 LYS 105 2HB LYS 105 -17.482 47.867 -8.786 829 HG2 LYS 105 1HG LYS 105 -18.927 47.869 -10.805 830 HG3 LYS 105 2HG LYS 105 -17.845 49.023 -11.593 831 HD2 LYS 105 1HD LYS 105 -17.075 46.211 -10.685 832 HD3 LYS 105 2HD LYS 105 -17.543 46.659 -12.332 833 HE2 LYS 105 1HE LYS 105 -15.630 48.258 -12.435 834 HE3 LYS 105 2HE LYS 105 -15.128 47.752 -10.816 835 HZ1 LYS 105 1HZ LYS 105 -15.276 45.967 -13.188 836 HZ2 LYS 105 2HZ LYS 105 -14.817 45.497 -11.691 837 HZ3 LYS 105 3HZ LYS 105 -13.903 46.554 -12.532 838 H ASP 106 H ASP 106 -20.208 50.233 -10.535 839 HA ASP 106 HA ASP 106 -22.337 49.351 -8.669 840 HB2 ASP 106 1HB ASP 106 -22.472 50.383 -11.521 841 HB3 ASP 106 2HB ASP 106 -23.856 49.950 -10.519 842 H LEU 107 H LEU 107 -22.404 47.201 -8.385 843 HA LEU 107 HA LEU 107 -21.798 45.292 -10.526 844 HB2 LEU 107 1HB LEU 107 -22.431 45.133 -7.570 845 HB3 LEU 107 2HB LEU 107 -22.585 43.697 -8.570 846 HG LEU 107 HG LEU 107 -20.245 43.869 -9.300 847 HD11 LEU 107 1HD1 LEU 107 -19.761 46.251 -9.053 848 HD12 LEU 107 2HD1 LEU 107 -18.661 45.315 -8.041 849 HD13 LEU 107 3HD1 LEU 107 -20.040 46.157 -7.298 850 HD21 LEU 107 1HD2 LEU 107 -19.256 43.164 -7.162 851 HD22 LEU 107 2HD2 LEU 107 -20.885 42.498 -7.351 852 HD23 LEU 107 3HD2 LEU 107 -20.618 43.889 -6.277 853 H ALA 108 H ALA 108 -24.674 46.920 -9.684 854 HA ALA 108 HA ALA 108 -26.610 44.858 -10.069 855 HB1 ALA 108 1HB ALA 108 -26.844 47.870 -10.472 856 HB2 ALA 108 2HB ALA 108 -28.195 46.729 -10.304 857 HB3 ALA 108 3HB ALA 108 -27.092 46.993 -8.942 858 H SER 109 H SER 109 -27.615 44.024 -11.831 859 HA SER 109 HA SER 109 -26.427 44.402 -14.465 860 HB2 SER 109 1HB SER 109 -27.949 42.564 -15.091 861 HB3 SER 109 2HB SER 109 -26.993 42.187 -13.649 862 HG SER 109 HG SER 109 -29.217 41.630 -13.404 863 H LEU 110 H LEU 110 -29.333 45.585 -12.894 864 HA LEU 110 HA LEU 110 -30.837 46.119 -15.288 865 HB2 LEU 110 1HB LEU 110 -32.446 47.139 -13.861 866 HB3 LEU 110 2HB LEU 110 -31.815 45.711 -13.077 867 HG LEU 110 HG LEU 110 -30.172 47.555 -11.917 868 HD11 LEU 110 1HD1 LEU 110 -32.798 49.047 -12.402 869 HD12 LEU 110 2HD1 LEU 110 -31.222 49.508 -13.076 870 HD13 LEU 110 3HD1 LEU 110 -31.479 49.563 -11.333 871 HD21 LEU 110 1HD2 LEU 110 -31.722 47.560 -10.007 872 HD22 LEU 110 2HD2 LEU 110 -31.598 45.948 -10.728 873 HD23 LEU 110 3HD2 LEU 110 -33.029 46.954 -11.053 874 H SER 111 H SER 111 -31.385 48.060 -16.265 875 HA SER 111 HA SER 111 -29.643 50.447 -15.810 876 HB2 SER 111 1HB SER 111 -29.314 50.623 -18.227 877 HB3 SER 111 2HB SER 111 -28.706 49.078 -17.613 878 HG SER 111 HG SER 111 -29.952 48.828 -19.535 879 H ARG 112 H ARG 112 -32.753 49.515 -15.708 880 HA ARG 112 HA ARG 112 -34.107 51.511 -17.311 881 HB2 ARG 112 1HB ARG 112 -36.120 50.789 -16.151 882 HB3 ARG 112 2HB ARG 112 -35.211 49.412 -16.747 883 HG2 ARG 112 1HG ARG 112 -34.544 48.719 -14.597 884 HG3 ARG 112 2HG ARG 112 -34.828 50.298 -13.860 885 HD2 ARG 112 1HD ARG 112 -37.051 48.540 -14.958 886 HD3 ARG 112 2HD ARG 112 -36.522 48.542 -13.264 887 HE ARG 112 HE ARG 112 -37.010 51.234 -13.844 888 HH11 ARG 112 1HH1 ARG 112 -39.082 48.392 -13.816 889 HH12 ARG 112 2HH1 ARG 112 -40.493 49.362 -13.477 890 HH21 ARG 112 1HH2 ARG 112 -38.680 52.322 -13.446 891 HH22 ARG 112 2HH2 ARG 112 -40.287 51.605 -13.258 892 H ASP 113 H ASP 113 -35.600 53.078 -16.477 893 HA ASP 113 HA ASP 113 -34.495 54.957 -14.525 894 HB2 ASP 113 1HB ASP 113 -37.154 54.923 -15.994 895 HB3 ASP 113 2HB ASP 113 -36.563 56.239 -14.989 Start of MODEL 9 1 H1 GLY 0 1H GLY 0 7.797 -15.958 -31.300 2 H2 GLY 0 2H GLY 0 7.882 -15.107 -32.698 3 H3 GLY 0 3H GLY 0 7.723 -14.324 -31.267 4 HA2 GLY 0 1HA GLY 0 10.067 -15.904 -32.112 5 HA3 GLY 0 2HA GLY 0 9.986 -14.134 -32.055 6 H MET 1 H MET 1 11.817 -14.198 -30.613 7 HA MET 1 HA MET 1 11.738 -15.482 -28.053 8 HB2 MET 1 1HB MET 1 13.762 -14.266 -27.574 9 HB3 MET 1 2HB MET 1 13.811 -14.873 -29.224 10 HG2 MET 1 1HG MET 1 13.197 -12.592 -30.055 11 HG3 MET 1 2HG MET 1 13.147 -12.017 -28.390 12 HE1 MET 1 1HE MET 1 15.828 -14.395 -30.259 13 HE2 MET 1 2HE MET 1 15.351 -13.121 -31.407 14 HE3 MET 1 3HE MET 1 16.993 -13.142 -30.728 15 HA PRO 2 HA PRO 2 9.415 -12.740 -25.500 16 HB2 PRO 2 1HB PRO 2 11.680 -12.770 -23.507 17 HB3 PRO 2 2HB PRO 2 9.933 -13.058 -23.234 18 HG2 PRO 2 1HG PRO 2 11.639 -15.151 -23.366 19 HG3 PRO 2 2HG PRO 2 10.066 -15.236 -24.227 20 HD2 PRO 2 1HD PRO 2 12.792 -14.534 -25.362 21 HD3 PRO 2 2HD PRO 2 11.564 -15.676 -25.988 22 HA PRO 3 HA PRO 3 10.795 -8.505 -25.995 23 HB2 PRO 3 1HB PRO 3 9.343 -7.907 -23.420 24 HB3 PRO 3 2HB PRO 3 9.227 -7.070 -25.000 25 HG2 PRO 3 1HG PRO 3 7.286 -8.789 -24.230 26 HG3 PRO 3 2HG PRO 3 7.897 -8.834 -25.918 27 HD2 PRO 3 1HD PRO 3 8.678 -10.622 -23.593 28 HD3 PRO 3 2HD PRO 3 8.226 -11.065 -25.268 29 HA PRO 4 HA PRO 4 14.307 -7.570 -23.340 30 HB2 PRO 4 1HB PRO 4 13.332 -4.714 -23.315 31 HB3 PRO 4 2HB PRO 4 14.976 -5.343 -23.648 32 HG2 PRO 4 1HG PRO 4 13.389 -4.568 -25.696 33 HG3 PRO 4 2HG PRO 4 14.319 -6.098 -25.828 34 HD2 PRO 4 1HD PRO 4 11.405 -5.735 -25.067 35 HD3 PRO 4 2HD PRO 4 12.137 -6.878 -26.234 36 H ALA 5 H ALA 5 14.936 -6.958 -21.181 37 HA ALA 5 HA ALA 5 13.035 -7.649 -19.200 38 HB1 ALA 5 1HB ALA 5 15.443 -8.103 -19.023 39 HB2 ALA 5 2HB ALA 5 15.778 -6.358 -18.901 40 HB3 ALA 5 3HB ALA 5 14.866 -7.185 -17.619 41 H ASP 6 H ASP 6 11.916 -6.573 -17.690 42 HA ASP 6 HA ASP 6 11.905 -3.607 -17.543 43 HB2 ASP 6 1HB ASP 6 9.452 -3.612 -17.790 44 HB3 ASP 6 2HB ASP 6 10.318 -4.144 -19.219 45 H ILE 7 H ILE 7 12.724 -5.882 -15.740 46 HA ILE 7 HA ILE 7 11.276 -4.985 -13.290 47 HB ILE 7 HB ILE 7 12.282 -7.806 -13.783 48 HG12 ILE 7 1HG1 ILE 7 9.431 -6.726 -13.809 49 HG13 ILE 7 2HG1 ILE 7 10.311 -7.438 -15.156 50 HG21 ILE 7 1HG2 ILE 7 10.692 -6.645 -11.455 51 HG22 ILE 7 2HG2 ILE 7 11.203 -8.337 -11.632 52 HG23 ILE 7 3HG2 ILE 7 12.413 -7.097 -11.411 53 HD11 ILE 7 1HD1 ILE 7 10.384 -9.619 -13.915 54 HD12 ILE 7 2HD1 ILE 7 9.285 -8.900 -12.707 55 HD13 ILE 7 3HD1 ILE 7 8.764 -9.066 -14.387 56 H VAL 8 H VAL 8 12.555 -4.382 -11.610 57 HA VAL 8 HA VAL 8 15.513 -4.791 -11.799 58 HB VAL 8 HB VAL 8 15.776 -2.485 -10.896 59 HG11 VAL 8 1HG1 VAL 8 16.224 -3.052 -13.257 60 HG12 VAL 8 2HG1 VAL 8 14.539 -2.668 -13.669 61 HG13 VAL 8 3HG1 VAL 8 15.623 -1.394 -13.081 62 HG21 VAL 8 1HG2 VAL 8 14.037 -0.797 -11.365 63 HG22 VAL 8 2HG2 VAL 8 12.886 -2.077 -11.764 64 HG23 VAL 8 3HG2 VAL 8 13.539 -1.938 -10.114 65 H LYS 9 H LYS 9 16.531 -5.416 -10.027 66 HA LYS 9 HA LYS 9 15.137 -5.919 -7.510 67 HB2 LYS 9 1HB LYS 9 18.034 -6.138 -8.409 68 HB3 LYS 9 2HB LYS 9 17.555 -6.393 -6.724 69 HG2 LYS 9 1HG LYS 9 16.087 -8.211 -7.298 70 HG3 LYS 9 2HG LYS 9 16.308 -7.914 -9.030 71 HD2 LYS 9 1HD LYS 9 18.689 -8.543 -8.865 72 HD3 LYS 9 2HD LYS 9 18.548 -8.693 -7.111 73 HE2 LYS 9 1HE LYS 9 18.547 -10.895 -8.069 74 HE3 LYS 9 2HE LYS 9 16.960 -10.572 -7.368 75 HZ1 LYS 9 1HZ LYS 9 17.557 -10.300 -10.269 76 HZ2 LYS 9 2HZ LYS 9 16.067 -10.215 -9.566 77 HZ3 LYS 9 3HZ LYS 9 16.876 -11.623 -9.595 78 H VAL 10 H VAL 10 15.219 -4.875 -5.634 79 HA VAL 10 HA VAL 10 16.841 -2.403 -5.310 80 HB VAL 10 HB VAL 10 14.957 -1.122 -4.452 81 HG11 VAL 10 1HG1 VAL 10 14.280 -2.079 -7.258 82 HG12 VAL 10 2HG1 VAL 10 13.956 -0.496 -6.522 83 HG13 VAL 10 3HG1 VAL 10 15.621 -0.983 -6.873 84 HG21 VAL 10 1HG2 VAL 10 13.428 -2.939 -3.746 85 HG22 VAL 10 2HG2 VAL 10 12.630 -1.777 -4.806 86 HG23 VAL 10 3HG2 VAL 10 13.136 -3.354 -5.447 87 H ALA 11 H ALA 11 17.161 -1.720 -3.174 88 HA ALA 11 HA ALA 11 16.487 -3.704 -1.022 89 HB1 ALA 11 1HB ALA 11 18.900 -3.687 -1.538 90 HB2 ALA 11 2HB ALA 11 18.951 -1.930 -1.286 91 HB3 ALA 11 3HB ALA 11 18.577 -3.010 0.073 92 H ILE 12 H ILE 12 14.947 -2.892 0.282 93 HA ILE 12 HA ILE 12 14.568 0.054 0.420 94 HB ILE 12 HB ILE 12 12.630 -2.184 1.018 95 HG12 ILE 12 1HG1 ILE 12 12.665 -0.322 -1.401 96 HG13 ILE 12 2HG1 ILE 12 13.374 -1.936 -1.439 97 HG21 ILE 12 1HG2 ILE 12 10.915 -0.401 1.069 98 HG22 ILE 12 2HG2 ILE 12 12.139 -0.053 2.268 99 HG23 ILE 12 3HG2 ILE 12 12.150 0.826 0.727 100 HD11 ILE 12 1HD1 ILE 12 11.223 -2.940 -0.833 101 HD12 ILE 12 2HD1 ILE 12 10.478 -1.319 -0.893 102 HD13 ILE 12 3HD1 ILE 12 11.170 -2.026 -2.361 103 H GLU 13 H GLU 13 15.140 1.086 2.126 104 HA GLU 13 HA GLU 13 15.746 -0.179 4.707 105 HB2 GLU 13 1HB GLU 13 15.761 2.714 3.782 106 HB3 GLU 13 2HB GLU 13 16.292 2.166 5.377 107 HG2 GLU 13 1HG GLU 13 18.034 0.760 4.309 108 HG3 GLU 13 2HG GLU 13 17.558 1.370 2.721 109 H TRP 14 H TRP 14 14.760 0.176 6.678 110 HA TRP 14 HA TRP 14 12.546 2.026 6.990 111 HB2 TRP 14 1HB TRP 14 11.318 0.105 6.210 112 HB3 TRP 14 2HB TRP 14 12.144 -0.959 7.344 113 HD1 TRP 14 HD TRP 14 11.017 -1.330 9.593 114 HE1 TRP 14 1HE TRP 14 9.036 -0.336 10.886 115 HE3 TRP 14 3HE TRP 14 9.996 2.636 6.542 116 HZ2 TRP 14 2HZ TRP 14 7.287 1.958 10.668 117 HZ3 TRP 14 3HZ TRP 14 8.213 4.257 7.139 118 HH2 TRP 14 HH TRP 14 6.850 3.926 9.195 119 HA PRO 15 HA PRO 15 14.863 2.493 10.662 120 HB2 PRO 15 1HB PRO 15 12.328 3.244 12.115 121 HB3 PRO 15 2HB PRO 15 13.898 4.108 12.050 122 HG2 PRO 15 1HG PRO 15 11.843 4.964 10.523 123 HG3 PRO 15 2HG PRO 15 13.478 4.828 9.787 124 HD2 PRO 15 1HD PRO 15 11.205 2.824 9.700 125 HD3 PRO 15 2HD PRO 15 12.142 3.485 8.331 126 H GLY 16 H GLY 16 15.666 1.280 12.297 127 HA2 GLY 16 1HA GLY 16 15.886 -0.356 13.899 128 HA3 GLY 16 2HA GLY 16 14.131 -0.389 14.076 129 H ALA 17 H ALA 17 15.165 -1.016 10.832 130 HA ALA 17 HA ALA 17 15.125 -3.972 11.206 131 HB1 ALA 17 1HB ALA 17 12.825 -3.196 10.719 132 HB2 ALA 17 2HB ALA 17 13.410 -2.393 9.243 133 HB3 ALA 17 3HB ALA 17 13.491 -4.161 9.388 134 H TYR 18 H TYR 18 15.994 -5.203 9.531 135 HA TYR 18 HA TYR 18 18.260 -4.110 8.109 136 HB2 TYR 18 1HB TYR 18 16.849 -6.775 7.791 137 HB3 TYR 18 2HB TYR 18 18.462 -6.405 7.225 138 HD1 TYR 18 1HD TYR 18 16.564 -7.758 9.939 139 HD2 TYR 18 2HD TYR 18 20.224 -5.658 9.020 140 HE1 TYR 18 1HE TYR 18 17.535 -8.485 12.117 141 HE2 TYR 18 2HE TYR 18 21.190 -6.391 11.194 142 HH TYR 18 HH TYR 18 20.851 -7.569 13.129 143 HA PRO 19 HA PRO 19 16.308 -2.825 4.379 144 HB2 PRO 19 1HB PRO 19 18.126 -3.431 2.389 145 HB3 PRO 19 2HB PRO 19 18.301 -2.078 3.538 146 HG2 PRO 19 1HG PRO 19 19.538 -4.838 3.679 147 HG3 PRO 19 2HG PRO 19 20.314 -3.257 4.002 148 HD2 PRO 19 1HD PRO 19 19.419 -4.877 5.995 149 HD3 PRO 19 2HD PRO 19 19.303 -3.106 6.141 150 H LYS 20 H LYS 20 14.652 -3.665 3.331 151 HA LYS 20 HA LYS 20 14.335 -6.552 2.854 152 HB2 LYS 20 1HB LYS 20 12.459 -5.374 3.693 153 HB3 LYS 20 2HB LYS 20 12.573 -4.109 2.463 154 HG2 LYS 20 1HG LYS 20 11.794 -5.554 0.732 155 HG3 LYS 20 2HG LYS 20 12.009 -7.006 1.733 156 HD2 LYS 20 1HD LYS 20 10.215 -6.369 3.201 157 HD3 LYS 20 2HD LYS 20 10.063 -4.768 2.448 158 HE2 LYS 20 1HE LYS 20 9.200 -5.654 0.422 159 HE3 LYS 20 2HE LYS 20 9.720 -7.298 0.799 160 HZ1 LYS 20 1HZ LYS 20 8.032 -7.509 2.417 161 HZ2 LYS 20 2HZ LYS 20 7.266 -6.804 1.154 162 HZ3 LYS 20 3HZ LYS 20 7.681 -5.896 2.440 163 H LEU 21 H LEU 21 15.362 -7.438 1.199 164 HA LEU 21 HA LEU 21 15.783 -6.076 -1.369 165 HB2 LEU 21 1HB LEU 21 16.220 -8.926 -0.410 166 HB3 LEU 21 2HB LEU 21 16.532 -8.416 -2.065 167 HG LEU 21 HG LEU 21 17.885 -7.093 0.327 168 HD11 LEU 21 1HD1 LEU 21 18.465 -9.484 0.292 169 HD12 LEU 21 2HD1 LEU 21 19.845 -8.489 -0.197 170 HD13 LEU 21 3HD1 LEU 21 18.906 -9.366 -1.427 171 HD21 LEU 21 1HD2 LEU 21 17.903 -5.799 -1.809 172 HD22 LEU 21 2HD2 LEU 21 18.612 -7.196 -2.639 173 HD23 LEU 21 3HD2 LEU 21 19.519 -6.359 -1.360 174 H MET 22 H MET 22 14.354 -5.986 -2.991 175 HA MET 22 HA MET 22 12.517 -8.193 -3.515 176 HB2 MET 22 1HB MET 22 10.477 -7.129 -3.301 177 HB3 MET 22 2HB MET 22 11.311 -6.667 -1.825 178 HG2 MET 22 1HG MET 22 11.787 -4.465 -2.706 179 HG3 MET 22 2HG MET 22 11.064 -4.864 -4.267 180 HE1 MET 22 1HE MET 22 8.360 -6.400 -3.736 181 HE2 MET 22 2HE MET 22 7.248 -5.029 -3.561 182 HE3 MET 22 3HE MET 22 8.524 -4.980 -4.799 183 H GLU 23 H GLU 23 10.971 -7.339 -5.483 184 HA GLU 23 HA GLU 23 12.746 -5.976 -7.464 185 HB2 GLU 23 1HB GLU 23 11.061 -8.470 -7.781 186 HB3 GLU 23 2HB GLU 23 11.537 -7.461 -9.153 187 HG2 GLU 23 1HG GLU 23 13.904 -7.689 -8.566 188 HG3 GLU 23 2HG GLU 23 13.490 -8.717 -7.189 189 H ILE 24 H ILE 24 11.963 -4.363 -8.531 190 HA ILE 24 HA ILE 24 9.061 -3.662 -8.387 191 HB ILE 24 HB ILE 24 11.556 -2.031 -8.947 192 HG12 ILE 24 1HG1 ILE 24 9.320 -1.898 -6.878 193 HG13 ILE 24 2HG1 ILE 24 10.973 -2.427 -6.600 194 HG21 ILE 24 1HG2 ILE 24 8.665 -1.162 -9.369 195 HG22 ILE 24 2HG2 ILE 24 10.080 -0.087 -9.406 196 HG23 ILE 24 3HG2 ILE 24 9.909 -1.322 -10.630 197 HD11 ILE 24 1HD1 ILE 24 11.753 -0.097 -7.199 198 HD12 ILE 24 2HD1 ILE 24 10.044 0.404 -7.186 199 HD13 ILE 24 3HD1 ILE 24 10.788 -0.227 -5.713 200 H ASP 25 H ASP 25 7.946 -4.533 -9.962 201 HA ASP 25 HA ASP 25 9.012 -4.887 -12.705 202 HB2 ASP 25 1HB ASP 25 7.536 -6.608 -11.820 203 HB3 ASP 25 2HB ASP 25 6.317 -5.412 -11.407 204 H GLN 26 H GLN 26 9.094 -3.156 -14.028 205 HA GLN 26 HA GLN 26 7.951 -0.641 -13.229 206 HB2 GLN 26 1HB GLN 26 9.302 -1.455 -15.807 207 HB3 GLN 26 2HB GLN 26 8.902 0.202 -15.367 208 HG2 GLN 26 1HG GLN 26 10.773 -1.556 -13.702 209 HG3 GLN 26 2HG GLN 26 11.293 -0.491 -14.991 210 HE21 GLN 26 1HE2 GLN 26 12.599 0.788 -13.557 211 HE22 GLN 26 2HE2 GLN 26 11.824 1.943 -12.481 212 H LYS 27 H LYS 27 6.450 -3.222 -14.865 213 HA LYS 27 HA LYS 27 4.391 -1.480 -16.135 214 HB2 LYS 27 1HB LYS 27 4.557 -4.515 -15.984 215 HB3 LYS 27 2HB LYS 27 3.445 -3.578 -16.962 216 HG2 LYS 27 1HG LYS 27 6.467 -3.773 -17.306 217 HG3 LYS 27 2HG LYS 27 5.235 -4.484 -18.336 218 HD2 LYS 27 1HD LYS 27 5.786 -1.500 -18.009 219 HD3 LYS 27 2HD LYS 27 6.250 -2.518 -19.374 220 HE2 LYS 27 1HE LYS 27 3.846 -3.001 -19.833 221 HE3 LYS 27 2HE LYS 27 3.384 -1.934 -18.501 222 HZ1 LYS 27 1HZ LYS 27 4.453 -0.093 -19.697 223 HZ2 LYS 27 2HZ LYS 27 3.301 -0.774 -20.630 224 HZ3 LYS 27 3HZ LYS 27 4.874 -1.083 -20.928 225 H LYS 28 H LYS 28 4.847 -3.137 -13.090 226 HA LYS 28 HA LYS 28 1.928 -3.137 -12.526 227 HB2 LYS 28 1HB LYS 28 2.244 -4.641 -10.911 228 HB3 LYS 28 2HB LYS 28 3.666 -5.031 -11.874 229 HG2 LYS 28 1HG LYS 28 5.053 -3.664 -10.350 230 HG3 LYS 28 2HG LYS 28 3.622 -3.301 -9.373 231 HD2 LYS 28 1HD LYS 28 4.668 -6.120 -9.872 232 HD3 LYS 28 2HD LYS 28 5.098 -5.133 -8.469 233 HE2 LYS 28 1HE LYS 28 2.698 -4.973 -7.837 234 HE3 LYS 28 2HE LYS 28 2.267 -5.995 -9.218 235 HZ1 LYS 28 1HZ LYS 28 2.480 -7.262 -7.125 236 HZ2 LYS 28 2HZ LYS 28 3.989 -6.819 -6.930 237 HZ3 LYS 28 3HZ LYS 28 3.601 -7.786 -8.215 238 HA PRO 29 HA PRO 29 1.941 0.825 -10.790 239 HB2 PRO 29 1HB PRO 29 -0.161 0.772 -9.014 240 HB3 PRO 29 2HB PRO 29 -0.358 0.696 -10.785 241 HG2 PRO 29 1HG PRO 29 -0.376 -1.583 -8.821 242 HG3 PRO 29 2HG PRO 29 -1.477 -1.301 -10.204 243 HD2 PRO 29 1HD PRO 29 0.645 -3.018 -10.306 244 HD3 PRO 29 2HD PRO 29 0.084 -2.098 -11.730 245 H LEU 30 H LEU 30 2.739 2.100 -9.191 246 HA LEU 30 HA LEU 30 4.378 0.960 -7.146 247 HB2 LEU 30 1HB LEU 30 3.279 3.748 -7.604 248 HB3 LEU 30 2HB LEU 30 4.410 3.379 -6.300 249 HG LEU 30 HG LEU 30 5.055 2.750 -9.211 250 HD11 LEU 30 1HD1 LEU 30 4.590 5.122 -9.012 251 HD12 LEU 30 2HD1 LEU 30 6.328 4.848 -9.225 252 HD13 LEU 30 3HD1 LEU 30 5.685 5.253 -7.613 253 HD21 LEU 30 1HD2 LEU 30 7.386 2.817 -8.413 254 HD22 LEU 30 2HD2 LEU 30 6.470 1.589 -7.538 255 HD23 LEU 30 3HD2 LEU 30 6.827 3.146 -6.759 256 H SER 31 H SER 31 0.983 2.074 -6.973 257 HA SER 31 HA SER 31 0.659 1.949 -4.166 258 HB2 SER 31 1HB SER 31 -1.374 1.157 -6.290 259 HB3 SER 31 2HB SER 31 -1.717 1.649 -4.620 260 HG SER 31 HG SER 31 -1.975 3.388 -6.095 261 H ALA 32 H ALA 32 0.454 -0.717 -6.577 262 HA ALA 32 HA ALA 32 -0.237 -2.755 -4.623 263 HB1 ALA 32 1HB ALA 32 -0.781 -2.989 -7.014 264 HB2 ALA 32 2HB ALA 32 0.947 -2.967 -7.435 265 HB3 ALA 32 3HB ALA 32 0.277 -4.306 -6.482 266 H ILE 33 H ILE 33 2.857 -1.648 -6.094 267 HA ILE 33 HA ILE 33 4.551 -3.517 -4.757 268 HB ILE 33 HB ILE 33 5.080 -0.702 -5.765 269 HG12 ILE 33 1HG1 ILE 33 5.955 -3.359 -6.957 270 HG13 ILE 33 2HG1 ILE 33 4.400 -2.661 -7.355 271 HG21 ILE 33 1HG2 ILE 33 6.767 -1.261 -4.040 272 HG22 ILE 33 2HG2 ILE 33 7.083 -2.814 -4.836 273 HG23 ILE 33 3HG2 ILE 33 7.496 -1.278 -5.635 274 HD11 ILE 33 1HD1 ILE 33 5.392 -0.697 -8.337 275 HD12 ILE 33 2HD1 ILE 33 7.019 -1.214 -7.840 276 HD13 ILE 33 3HD1 ILE 33 6.114 -2.144 -9.050 277 H ILE 34 H ILE 34 3.566 -0.195 -3.714 278 HA ILE 34 HA ILE 34 4.998 -0.235 -1.260 279 HB ILE 34 HB ILE 34 2.564 1.310 -2.193 280 HG12 ILE 34 1HG1 ILE 34 5.394 2.320 -1.652 281 HG13 ILE 34 2HG1 ILE 34 4.972 1.605 -3.201 282 HG21 ILE 34 1HG2 ILE 34 4.141 1.719 0.392 283 HG22 ILE 34 2HG2 ILE 34 2.950 2.858 -0.273 284 HG23 ILE 34 3HG2 ILE 34 2.425 1.275 0.257 285 HD11 ILE 34 1HD1 ILE 34 3.200 3.303 -3.543 286 HD12 ILE 34 2HD1 ILE 34 3.665 4.080 -2.019 287 HD13 ILE 34 3HD1 ILE 34 4.816 4.011 -3.365 288 H LYS 35 H LYS 35 1.674 -1.422 -1.958 289 HA LYS 35 HA LYS 35 1.046 -2.259 0.712 290 HB2 LYS 35 1HB LYS 35 -0.541 -2.155 -1.241 291 HB3 LYS 35 2HB LYS 35 0.221 -3.596 -1.902 292 HG2 LYS 35 1HG LYS 35 -0.398 -4.876 0.133 293 HG3 LYS 35 2HG LYS 35 -1.136 -3.420 0.822 294 HD2 LYS 35 1HD LYS 35 -2.736 -3.353 -1.097 295 HD3 LYS 35 2HD LYS 35 -1.995 -4.832 -1.746 296 HE2 LYS 35 1HE LYS 35 -2.575 -6.027 0.366 297 HE3 LYS 35 2HE LYS 35 -3.335 -4.556 0.986 298 HZ1 LYS 35 1HZ LYS 35 -4.975 -6.056 0.007 299 HZ2 LYS 35 2HZ LYS 35 -4.216 -6.043 -1.435 300 HZ3 LYS 35 3HZ LYS 35 -4.922 -4.682 -0.869 301 H GLU 36 H GLU 36 2.802 -4.002 -1.908 302 HA GLU 36 HA GLU 36 3.259 -6.397 -0.380 303 HB2 GLU 36 1HB GLU 36 4.380 -5.186 -2.926 304 HB3 GLU 36 2HB GLU 36 4.959 -6.710 -2.279 305 HG2 GLU 36 1HG GLU 36 2.816 -7.759 -2.491 306 HG3 GLU 36 2HG GLU 36 2.006 -6.227 -2.798 307 H VAL 37 H VAL 37 5.048 -3.327 -0.617 308 HA VAL 37 HA VAL 37 7.387 -4.243 0.817 309 HB VAL 37 HB VAL 37 6.243 -1.430 0.684 310 HG11 VAL 37 1HG1 VAL 37 7.757 -1.786 2.645 311 HG12 VAL 37 2HG1 VAL 37 8.997 -2.426 1.564 312 HG13 VAL 37 3HG1 VAL 37 8.483 -0.732 1.426 313 HG21 VAL 37 1HG2 VAL 37 7.033 -2.369 -1.525 314 HG22 VAL 37 2HG2 VAL 37 7.987 -1.003 -0.948 315 HG23 VAL 37 3HG2 VAL 37 8.595 -2.667 -0.774 316 H CYS 38 H CYS 38 4.551 -2.351 1.903 317 HA CYS 38 HA CYS 38 5.198 -2.196 4.614 318 HB2 CYS 38 1HB CYS 38 2.470 -2.128 3.241 319 HB3 CYS 38 2HB CYS 38 2.750 -1.641 4.899 320 HG CYS 38 HG CYS 38 3.884 -0.375 2.079 321 H ASP 39 H ASP 39 3.283 -4.767 3.028 322 HA ASP 39 HA ASP 39 2.361 -6.121 5.317 323 HB2 ASP 39 1HB ASP 39 1.686 -6.503 2.948 324 HB3 ASP 39 2HB ASP 39 3.245 -7.272 2.637 325 H GLY 40 H GLY 40 5.631 -6.103 3.988 326 HA2 GLY 40 1HA GLY 40 6.609 -8.523 5.270 327 HA3 GLY 40 2HA GLY 40 7.585 -7.211 4.600 328 H TRP 41 H TRP 41 6.282 -5.171 6.330 329 HA TRP 41 HA TRP 41 7.531 -5.822 8.964 330 HB2 TRP 41 1HB TRP 41 7.083 -3.161 7.585 331 HB3 TRP 41 2HB TRP 41 7.706 -3.353 9.220 332 HD1 TRP 41 HD TRP 41 9.932 -5.324 9.109 333 HE1 TRP 41 1HE TRP 41 12.057 -5.039 7.699 334 HE3 TRP 41 3HE TRP 41 8.177 -1.971 5.651 335 HZ2 TRP 41 2HZ TRP 41 12.908 -3.525 5.405 336 HZ3 TRP 41 3HZ TRP 41 9.701 -1.100 3.884 337 HH2 TRP 41 HH TRP 41 12.032 -1.877 3.738 338 H SER 42 H SER 42 4.676 -6.305 7.818 339 HA SER 42 HA SER 42 2.526 -6.271 8.475 340 HB2 SER 42 1HB SER 42 3.653 -6.023 11.283 341 HB3 SER 42 2HB SER 42 2.024 -6.560 10.843 342 HG SER 42 HG SER 42 4.495 -7.833 10.219 343 H LEU 43 H LEU 43 3.603 -3.677 7.736 344 HA LEU 43 HA LEU 43 2.419 -1.653 9.485 345 HB2 LEU 43 1HB LEU 43 3.749 -1.601 6.765 346 HB3 LEU 43 2HB LEU 43 3.088 -0.154 7.489 347 HG LEU 43 HG LEU 43 5.223 -1.915 8.800 348 HD11 LEU 43 1HD1 LEU 43 6.846 -0.251 8.071 349 HD12 LEU 43 2HD1 LEU 43 5.573 0.671 7.243 350 HD13 LEU 43 3HD1 LEU 43 6.023 -0.953 6.676 351 HD21 LEU 43 1HD2 LEU 43 5.671 0.081 10.185 352 HD22 LEU 43 2HD2 LEU 43 4.024 -0.496 10.428 353 HD23 LEU 43 3HD2 LEU 43 4.317 0.933 9.411 354 H ALA 44 H ALA 44 0.334 -1.338 9.621 355 HA ALA 44 HA ALA 44 -1.596 -2.005 7.559 356 HB1 ALA 44 1HB ALA 44 -3.200 -1.042 9.170 357 HB2 ALA 44 2HB ALA 44 -2.093 -2.168 9.977 358 HB3 ALA 44 3HB ALA 44 -1.860 -0.412 10.149 359 H ASN 45 H ASN 45 -3.118 -0.445 6.696 360 HA ASN 45 HA ASN 45 -3.622 1.283 5.319 361 HB2 ASN 45 1HB ASN 45 -2.389 2.976 7.512 362 HB3 ASN 45 2HB ASN 45 -3.581 3.486 6.324 363 HD21 ASN 45 1HD2 ASN 45 -3.363 2.759 9.493 364 HD22 ASN 45 2HD2 ASN 45 -4.968 2.085 9.735 365 H HIS 46 H HIS 46 -1.685 0.147 4.085 366 HA HIS 46 HA HIS 46 0.727 1.538 3.551 367 HB2 HIS 46 1HB HIS 46 0.868 0.149 1.602 368 HB3 HIS 46 2HB HIS 46 0.180 -0.812 2.905 369 HD2 HIS 46 2HD HIS 46 -0.621 0.658 -0.522 370 HE1 HIS 46 1HE HIS 46 -4.155 -1.412 0.663 371 HE2 HIS 46 2HE HIS 46 -3.007 -0.195 -1.255 372 H GLU 47 H GLU 47 -2.510 2.377 2.589 373 HA GLU 47 HA GLU 47 -2.117 3.965 0.290 374 HB2 GLU 47 1HB GLU 47 -3.955 4.713 2.597 375 HB3 GLU 47 2HB GLU 47 -4.141 5.067 0.876 376 HG2 GLU 47 1HG GLU 47 -4.284 2.482 0.580 377 HG3 GLU 47 2HG GLU 47 -4.536 2.446 2.338 378 H TYR 48 H TYR 48 -1.254 4.659 3.660 379 HA TYR 48 HA TYR 48 -0.823 7.523 3.267 380 HB2 TYR 48 1HB TYR 48 0.250 5.713 5.449 381 HB3 TYR 48 2HB TYR 48 0.105 7.458 5.504 382 HD1 TYR 48 1HD TYR 48 -0.694 6.097 7.753 383 HD2 TYR 48 2HD TYR 48 -3.025 6.741 4.172 384 HE1 TYR 48 1HE TYR 48 -2.772 5.805 9.055 385 HE2 TYR 48 2HE TYR 48 -5.098 6.333 5.451 386 HH TYR 48 HH TYR 48 -5.078 5.688 8.985 387 H PHE 49 H PHE 49 1.018 4.755 2.384 388 HA PHE 49 HA PHE 49 3.630 5.981 2.987 389 HB2 PHE 49 1HB PHE 49 2.775 3.179 2.285 390 HB3 PHE 49 2HB PHE 49 4.451 3.686 2.281 391 HD1 PHE 49 1HD PHE 49 1.422 3.488 4.500 392 HD2 PHE 49 2HD PHE 49 5.717 3.827 4.273 393 HE1 PHE 49 1HE PHE 49 1.571 3.185 6.952 394 HE2 PHE 49 2HE PHE 49 5.855 3.538 6.734 395 HZ PHE 49 HZ PHE 49 3.792 3.211 8.079 396 H ALA 50 H ALA 50 5.355 5.955 1.611 397 HA ALA 50 HA ALA 50 4.981 5.813 -1.306 398 HB1 ALA 50 1HB ALA 50 6.018 8.283 0.165 399 HB2 ALA 50 2HB ALA 50 5.997 8.049 -1.597 400 HB3 ALA 50 3HB ALA 50 4.468 8.172 -0.700 401 H LEU 51 H LEU 51 6.904 5.317 -2.381 402 HA LEU 51 HA LEU 51 9.208 4.478 -0.724 403 HB2 LEU 51 1HB LEU 51 8.406 4.168 -3.618 404 HB3 LEU 51 2HB LEU 51 10.093 3.957 -3.150 405 HG LEU 51 HG LEU 51 7.817 2.406 -1.847 406 HD11 LEU 51 1HD1 LEU 51 7.879 1.889 -4.250 407 HD12 LEU 51 2HD1 LEU 51 8.482 0.524 -3.299 408 HD13 LEU 51 3HD1 LEU 51 9.627 1.580 -4.155 409 HD21 LEU 51 1HD2 LEU 51 9.628 0.854 -1.195 410 HD22 LEU 51 2HD2 LEU 51 9.920 2.455 -0.524 411 HD23 LEU 51 3HD2 LEU 51 10.832 1.916 -1.951 412 H GLN 52 H GLN 52 11.158 5.411 -0.760 413 HA GLN 52 HA GLN 52 11.531 8.071 -2.057 414 HB2 GLN 52 1HB GLN 52 10.734 8.434 0.191 415 HB3 GLN 52 2HB GLN 52 11.844 7.238 0.847 416 HG2 GLN 52 1HG GLN 52 12.541 9.469 1.442 417 HG3 GLN 52 2HG GLN 52 13.753 8.698 0.434 418 HE21 GLN 52 1HE2 GLN 52 11.856 11.576 0.797 419 HE22 GLN 52 2HE2 GLN 52 12.236 12.214 -0.802 420 H HIS 53 H HIS 53 13.698 8.583 -2.516 421 HA HIS 53 HA HIS 53 15.426 6.269 -3.081 422 HB2 HIS 53 1HB HIS 53 15.301 9.103 -3.881 423 HB3 HIS 53 2HB HIS 53 16.940 8.527 -3.591 424 HD2 HIS 53 2HD HIS 53 14.372 8.588 -6.251 425 HE1 HIS 53 1HE HIS 53 17.106 5.537 -7.438 426 HE2 HIS 53 2HE HIS 53 15.177 7.010 -8.205 427 H ALA 54 H ALA 54 17.349 5.744 -2.215 428 HA ALA 54 HA ALA 54 18.469 7.411 -0.007 429 HB1 ALA 54 1HB ALA 54 19.089 5.321 1.166 430 HB2 ALA 54 2HB ALA 54 17.331 5.497 1.003 431 HB3 ALA 54 3HB ALA 54 18.213 4.383 -0.061 432 H ASP 55 H ASP 55 19.081 5.265 -2.786 433 HA ASP 55 HA ASP 55 21.965 5.621 -2.767 434 HB2 ASP 55 1HB ASP 55 20.779 3.756 -3.881 435 HB3 ASP 55 2HB ASP 55 20.034 4.889 -5.006 436 H SER 56 H SER 56 19.305 7.156 -4.651 437 HA SER 56 HA SER 56 21.046 9.387 -5.528 438 HB2 SER 56 1HB SER 56 19.349 8.247 -7.023 439 HB3 SER 56 2HB SER 56 18.086 9.017 -6.042 440 HG SER 56 HG SER 56 18.807 10.180 -7.983 441 H SER 57 H SER 57 19.585 11.563 -5.470 442 HA SER 57 HA SER 57 19.387 12.464 -2.699 443 HB2 SER 57 1HB SER 57 20.062 13.929 -4.601 444 HB3 SER 57 2HB SER 57 18.403 13.836 -5.220 445 HG SER 57 HG SER 57 18.816 15.693 -3.881 446 H ASN 58 H ASN 58 17.279 13.678 -2.097 447 HA ASN 58 HA ASN 58 15.438 11.579 -1.482 448 HB2 ASN 58 1HB ASN 58 15.329 14.534 -0.778 449 HB3 ASN 58 2HB ASN 58 14.420 13.255 0.013 450 HD21 ASN 58 1HD2 ASN 58 17.153 15.125 0.366 451 HD22 ASN 58 2HD2 ASN 58 18.045 14.038 1.418 452 H PHE 59 H PHE 59 15.113 11.833 -4.220 453 HA PHE 59 HA PHE 59 12.560 13.130 -4.834 454 HB2 PHE 59 1HB PHE 59 13.983 10.955 -6.397 455 HB3 PHE 59 2HB PHE 59 12.771 12.081 -6.980 456 HD1 PHE 59 1HD PHE 59 16.213 11.352 -6.887 457 HD2 PHE 59 2HD PHE 59 13.475 14.681 -6.731 458 HE1 PHE 59 1HE PHE 59 18.015 12.874 -7.670 459 HE2 PHE 59 2HE PHE 59 15.285 16.205 -7.493 460 HZ PHE 59 HZ PHE 59 17.556 15.303 -7.967 461 H TYR 60 H TYR 60 10.718 12.355 -3.909 462 HA TYR 60 HA TYR 60 10.233 9.636 -3.115 463 HB2 TYR 60 1HB TYR 60 8.298 11.855 -3.877 464 HB3 TYR 60 2HB TYR 60 7.824 10.304 -3.203 465 HD1 TYR 60 1HD TYR 60 9.238 13.607 -2.441 466 HD2 TYR 60 2HD TYR 60 8.392 9.673 -0.876 467 HE1 TYR 60 1HE TYR 60 9.493 14.472 -0.118 468 HE2 TYR 60 2HE TYR 60 8.612 10.555 1.443 469 HH TYR 60 HH TYR 60 9.026 12.385 2.757 470 H ILE 61 H ILE 61 9.409 7.899 -4.205 471 HA ILE 61 HA ILE 61 9.749 7.906 -7.090 472 HB ILE 61 HB ILE 61 8.757 5.686 -5.296 473 HG12 ILE 61 1HG1 ILE 61 10.952 6.258 -4.501 474 HG13 ILE 61 2HG1 ILE 61 11.064 4.775 -5.424 475 HG21 ILE 61 1HG2 ILE 61 9.843 5.626 -8.143 476 HG22 ILE 61 2HG2 ILE 61 9.493 4.197 -7.140 477 HG23 ILE 61 3HG2 ILE 61 8.187 5.269 -7.627 478 HD11 ILE 61 1HD1 ILE 61 12.969 6.172 -5.905 479 HD12 ILE 61 2HD1 ILE 61 11.980 6.107 -7.371 480 HD13 ILE 61 3HD1 ILE 61 11.947 7.551 -6.335 481 H THR 62 H THR 62 8.288 8.097 -8.628 482 HA THR 62 HA THR 62 5.377 7.753 -8.109 483 HB THR 62 HB THR 62 4.787 9.779 -9.231 484 HG1 THR 62 1HG THR 62 7.496 10.521 -9.360 485 HG21 THR 62 1HG2 THR 62 5.225 10.055 -6.808 486 HG22 THR 62 2HG2 THR 62 5.514 11.534 -7.742 487 HG23 THR 62 3HG2 THR 62 6.888 10.564 -7.176 488 H GLU 63 H GLU 63 4.118 7.644 -10.149 489 HA GLU 63 HA GLU 63 5.273 5.900 -12.090 490 HB2 GLU 63 1HB GLU 63 2.802 7.654 -12.291 491 HB3 GLU 63 2HB GLU 63 3.168 6.292 -13.340 492 HG2 GLU 63 1HG GLU 63 2.620 6.133 -10.340 493 HG3 GLU 63 2HG GLU 63 1.476 5.761 -11.613 494 H LYS 64 H LYS 64 5.600 9.301 -11.813 495 HA LYS 64 HA LYS 64 6.302 9.769 -14.653 496 HB2 LYS 64 1HB LYS 64 6.252 11.613 -12.225 497 HB3 LYS 64 2HB LYS 64 6.626 12.108 -13.878 498 HG2 LYS 64 1HG LYS 64 4.374 11.368 -14.621 499 HG3 LYS 64 2HG LYS 64 3.967 10.938 -12.947 500 HD2 LYS 64 1HD LYS 64 4.378 13.285 -12.246 501 HD3 LYS 64 2HD LYS 64 4.716 13.737 -13.919 502 HE2 LYS 64 1HE LYS 64 2.082 12.555 -12.916 503 HE3 LYS 64 2HE LYS 64 2.392 14.282 -13.109 504 HZ1 LYS 64 1HZ LYS 64 1.262 13.404 -15.049 505 HZ2 LYS 64 2HZ LYS 64 2.427 12.298 -15.321 506 HZ3 LYS 64 3HZ LYS 64 2.753 13.893 -15.490 507 H ASN 65 H ASN 65 8.020 8.803 -11.802 508 HA ASN 65 HA ASN 65 10.602 9.459 -13.164 509 HB2 ASN 65 1HB ASN 65 11.558 10.365 -11.173 510 HB3 ASN 65 2HB ASN 65 10.058 11.215 -11.512 511 HD21 ASN 65 1HD2 ASN 65 9.908 11.926 -9.296 512 HD22 ASN 65 2HD2 ASN 65 9.574 10.776 -7.999 513 H ARG 66 H ARG 66 8.858 6.970 -11.636 514 HA ARG 66 HA ARG 66 10.823 5.396 -10.436 515 HB2 ARG 66 1HB ARG 66 9.344 3.509 -10.855 516 HB3 ARG 66 2HB ARG 66 8.418 4.929 -10.377 517 HG2 ARG 66 1HG ARG 66 7.877 5.367 -12.802 518 HG3 ARG 66 2HG ARG 66 8.740 3.886 -13.242 519 HD2 ARG 66 1HD ARG 66 6.318 4.050 -11.414 520 HD3 ARG 66 2HD ARG 66 6.297 3.584 -13.125 521 HE ARG 66 HE ARG 66 8.148 1.873 -11.889 522 HH11 ARG 66 1HH1 ARG 66 4.387 0.706 -11.459 523 HH12 ARG 66 2HH1 ARG 66 4.649 2.394 -11.905 524 HH21 ARG 66 1HH2 ARG 66 7.635 -0.145 -11.139 525 HH22 ARG 66 2HH2 ARG 66 5.963 -0.658 -11.123 526 H ASN 67 H ASN 67 10.608 6.015 -13.830 527 HA ASN 67 HA ASN 67 12.032 3.768 -14.875 528 HB2 ASN 67 1HB ASN 67 12.298 5.145 -16.833 529 HB3 ASN 67 2HB ASN 67 10.704 5.501 -16.178 530 HD21 ASN 67 1HD2 ASN 67 13.767 6.819 -17.062 531 HD22 ASN 67 2HD2 ASN 67 13.608 8.383 -16.284 532 H GLU 68 H GLU 68 13.169 6.510 -12.976 533 HA GLU 68 HA GLU 68 15.965 6.322 -13.784 534 HB2 GLU 68 1HB GLU 68 14.703 7.601 -11.332 535 HB3 GLU 68 2HB GLU 68 16.349 7.842 -11.897 536 HG2 GLU 68 1HG GLU 68 13.792 8.737 -13.279 537 HG3 GLU 68 2HG GLU 68 15.003 9.745 -12.506 538 H ILE 69 H ILE 69 14.023 4.331 -11.746 539 HA ILE 69 HA ILE 69 16.116 3.442 -9.922 540 HB ILE 69 HB ILE 69 13.479 2.152 -10.716 541 HG12 ILE 69 1HG1 ILE 69 14.159 3.788 -8.223 542 HG13 ILE 69 2HG1 ILE 69 13.255 4.412 -9.599 543 HG21 ILE 69 1HG2 ILE 69 15.247 1.559 -8.313 544 HG22 ILE 69 2HG2 ILE 69 13.735 0.736 -8.756 545 HG23 ILE 69 3HG2 ILE 69 15.158 0.534 -9.759 546 HD11 ILE 69 1HD1 ILE 69 11.693 3.812 -7.893 547 HD12 ILE 69 2HD1 ILE 69 11.500 2.675 -9.240 548 HD13 ILE 69 3HD1 ILE 69 12.346 2.183 -7.752 549 H LYS 70 H LYS 70 17.613 1.960 -10.257 550 HA LYS 70 HA LYS 70 17.477 0.124 -12.617 551 HB2 LYS 70 1HB LYS 70 19.899 0.154 -12.738 552 HB3 LYS 70 2HB LYS 70 19.269 1.786 -12.917 553 HG2 LYS 70 1HG LYS 70 19.889 2.379 -10.651 554 HG3 LYS 70 2HG LYS 70 20.328 0.717 -10.253 555 HD2 LYS 70 1HD LYS 70 21.746 2.391 -12.365 556 HD3 LYS 70 2HD LYS 70 22.265 2.238 -10.678 557 HE2 LYS 70 1HE LYS 70 22.451 -0.233 -10.956 558 HE3 LYS 70 2HE LYS 70 22.000 -0.073 -12.657 559 HZ1 LYS 70 1HZ LYS 70 23.993 1.294 -12.990 560 HZ2 LYS 70 2HZ LYS 70 24.407 -0.166 -12.393 561 HZ3 LYS 70 3HZ LYS 70 24.413 1.140 -11.417 562 H ASN 71 H ASN 71 18.897 -1.868 -12.290 563 HA ASN 71 HA ASN 71 18.072 -3.333 -9.958 564 HB2 ASN 71 1HB ASN 71 19.606 -5.062 -10.770 565 HB3 ASN 71 2HB ASN 71 18.581 -4.461 -12.065 566 HD21 ASN 71 1HD2 ASN 71 21.697 -5.412 -11.454 567 HD22 ASN 71 2HD2 ASN 71 22.493 -4.463 -12.699 568 H GLY 72 H GLY 72 18.872 -3.390 -7.983 569 HA2 GLY 72 1HA GLY 72 20.462 -3.392 -6.255 570 HA3 GLY 72 2HA GLY 72 21.678 -2.701 -7.328 571 H THR 73 H THR 73 18.701 -0.936 -7.504 572 HA THR 73 HA THR 73 19.844 1.419 -6.286 573 HB THR 73 HB THR 73 16.934 0.824 -6.903 574 HG1 THR 73 1HG THR 73 18.135 0.786 -8.721 575 HG21 THR 73 1HG2 THR 73 17.090 2.755 -5.378 576 HG22 THR 73 2HG2 THR 73 16.668 3.272 -7.008 577 HG23 THR 73 3HG2 THR 73 18.333 3.487 -6.417 578 H ILE 74 H ILE 74 19.920 2.082 -4.214 579 HA ILE 74 HA ILE 74 18.442 0.621 -2.128 580 HB ILE 74 HB ILE 74 20.220 3.015 -1.670 581 HG12 ILE 74 1HG1 ILE 74 21.106 0.089 -1.668 582 HG13 ILE 74 2HG1 ILE 74 21.526 1.259 -2.920 583 HG21 ILE 74 1HG2 ILE 74 19.491 0.654 0.127 584 HG22 ILE 74 2HG2 ILE 74 20.330 2.147 0.603 585 HG23 ILE 74 3HG2 ILE 74 18.631 2.194 0.154 586 HD11 ILE 74 1HD1 ILE 74 23.388 1.083 -1.453 587 HD12 ILE 74 2HD1 ILE 74 22.657 2.686 -1.242 588 HD13 ILE 74 3HD1 ILE 74 22.398 1.409 -0.023 589 H LEU 75 H LEU 75 16.578 1.231 -1.378 590 HA LEU 75 HA LEU 75 15.496 3.992 -1.750 591 HB2 LEU 75 1HB LEU 75 14.031 1.340 -1.965 592 HB3 LEU 75 2HB LEU 75 13.263 2.922 -2.024 593 HG LEU 75 HG LEU 75 15.176 1.790 -4.108 594 HD11 LEU 75 1HD1 LEU 75 12.186 2.374 -4.189 595 HD12 LEU 75 2HD1 LEU 75 12.921 0.759 -4.058 596 HD13 LEU 75 3HD1 LEU 75 13.174 1.728 -5.517 597 HD21 LEU 75 1HD2 LEU 75 15.422 4.220 -4.063 598 HD22 LEU 75 2HD2 LEU 75 13.655 4.439 -4.019 599 HD23 LEU 75 3HD2 LEU 75 14.450 3.774 -5.463 600 H ARG 76 H ARG 76 13.540 4.230 -0.236 601 HA ARG 76 HA ARG 76 13.774 2.862 2.391 602 HB2 ARG 76 1HB ARG 76 15.231 4.893 2.326 603 HB3 ARG 76 2HB ARG 76 13.822 5.884 1.939 604 HG2 ARG 76 1HG ARG 76 12.787 5.308 4.092 605 HG3 ARG 76 2HG ARG 76 14.109 4.194 4.459 606 HD2 ARG 76 1HD ARG 76 14.354 7.207 4.072 607 HD3 ARG 76 2HD ARG 76 14.316 6.378 5.636 608 HE ARG 76 HE ARG 76 16.451 5.175 4.294 609 HH11 ARG 76 1HH1 ARG 76 15.795 8.506 5.223 610 HH12 ARG 76 2HH1 ARG 76 17.495 8.886 5.272 611 HH21 ARG 76 1HH2 ARG 76 18.450 5.678 4.392 612 HH22 ARG 76 2HH2 ARG 76 19.016 7.299 4.814 613 H LEU 77 H LEU 77 11.839 2.545 3.366 614 HA LEU 77 HA LEU 77 9.362 3.487 2.038 615 HB2 LEU 77 1HB LEU 77 9.434 1.176 2.787 616 HB3 LEU 77 2HB LEU 77 9.865 1.670 4.425 617 HG LEU 77 HG LEU 77 7.603 2.841 4.512 618 HD11 LEU 77 1HD1 LEU 77 5.916 1.949 2.826 619 HD12 LEU 77 2HD1 LEU 77 7.259 1.280 1.899 620 HD13 LEU 77 3HD1 LEU 77 7.111 3.039 2.104 621 HD21 LEU 77 1HD2 LEU 77 7.972 0.658 5.549 622 HD22 LEU 77 2HD2 LEU 77 7.560 -0.139 4.018 623 HD23 LEU 77 3HD2 LEU 77 6.334 0.805 4.884 624 H THR 78 H THR 78 8.091 5.125 2.792 625 HA THR 78 HA THR 78 8.323 6.152 5.527 626 HB THR 78 HB THR 78 10.212 7.254 4.400 627 HG1 THR 78 1HG THR 78 9.302 8.480 5.927 628 HG21 THR 78 1HG2 THR 78 9.430 7.303 2.065 629 HG22 THR 78 2HG2 THR 78 9.879 8.909 2.637 630 HG23 THR 78 3HG2 THR 78 8.158 8.464 2.505 631 H THR 79 H THR 79 6.612 7.849 5.957 632 HA THR 79 HA THR 79 4.180 7.351 4.381 633 HB THR 79 HB THR 79 3.147 9.066 5.856 634 HG1 THR 79 1HG THR 79 5.054 10.099 6.569 635 HG21 THR 79 1HG2 THR 79 2.868 6.674 6.265 636 HG22 THR 79 2HG2 THR 79 2.941 7.583 7.775 637 HG23 THR 79 3HG2 THR 79 4.358 6.650 7.237 638 H SER 80 H SER 80 3.131 8.808 3.085 639 HA SER 80 HA SER 80 4.705 10.203 1.252 640 HB2 SER 80 1HB SER 80 2.684 9.406 0.467 641 HB3 SER 80 2HB SER 80 1.763 10.009 1.837 642 HG SER 80 HG SER 80 1.795 11.106 -0.436 643 HA PRO 81 HA PRO 81 5.202 14.346 2.918 644 HB2 PRO 81 1HB PRO 81 5.410 15.852 0.642 645 HB3 PRO 81 2HB PRO 81 6.693 14.737 1.199 646 HG2 PRO 81 1HG PRO 81 4.525 14.193 -0.859 647 HG3 PRO 81 2HG PRO 81 6.292 13.919 -1.012 648 HD2 PRO 81 1HD PRO 81 4.614 11.913 -0.319 649 HD3 PRO 81 2HD PRO 81 6.220 12.054 0.442 650 H ALA 82 H ALA 82 2.506 13.412 0.901 651 HA ALA 82 HA ALA 82 0.933 15.832 1.688 652 HB1 ALA 82 1HB ALA 82 0.456 13.778 -0.509 653 HB2 ALA 82 2HB ALA 82 -0.570 15.183 -0.142 654 HB3 ALA 82 3HB ALA 82 1.090 15.425 -0.719 655 H GLN 83 H GLN 83 0.567 12.283 1.418 656 HA GLN 83 HA GLN 83 -0.820 10.748 2.272 657 HB2 GLN 83 1HB GLN 83 -0.677 12.490 4.743 658 HB3 GLN 83 2HB GLN 83 -1.487 10.925 4.704 659 HG2 GLN 83 1HG GLN 83 0.511 9.733 4.344 660 HG3 GLN 83 2HG GLN 83 1.374 11.156 3.778 661 HE21 GLN 83 1HE2 GLN 83 2.834 11.974 5.211 662 HE22 GLN 83 2HE2 GLN 83 2.682 11.832 6.967 663 H ASN 84 H ASN 84 -2.309 13.802 3.404 664 HA ASN 84 HA ASN 84 -4.988 12.631 3.218 665 HB2 ASN 84 1HB ASN 84 -4.024 15.382 4.094 666 HB3 ASN 84 2HB ASN 84 -5.665 14.763 4.291 667 HD21 ASN 84 1HD2 ASN 84 -3.776 15.625 6.415 668 HD22 ASN 84 2HD2 ASN 84 -3.652 14.200 7.452 669 H ALA 85 H ALA 85 -6.743 13.452 2.053 670 HA ALA 85 HA ALA 85 -6.150 14.315 -0.646 671 HB1 ALA 85 1HB ALA 85 -7.958 12.724 -0.103 672 HB2 ALA 85 2HB ALA 85 -8.805 13.997 0.808 673 HB3 ALA 85 3HB ALA 85 -8.582 14.151 -0.950 674 H GLN 86 H GLN 86 -6.470 16.259 -1.644 675 HA GLN 86 HA GLN 86 -7.862 18.499 -0.399 676 HB2 GLN 86 1HB GLN 86 -4.925 18.285 -0.255 677 HB3 GLN 86 2HB GLN 86 -5.400 19.702 -1.170 678 HG2 GLN 86 1HG GLN 86 -6.412 19.054 1.632 679 HG3 GLN 86 2HG GLN 86 -5.069 20.125 1.259 680 HE21 GLN 86 1HE2 GLN 86 -6.783 21.445 2.693 681 HE22 GLN 86 2HE2 GLN 86 -7.858 22.438 1.717 682 H GLN 87 H GLN 87 -8.324 20.167 -1.821 683 HA GLN 87 HA GLN 87 -8.023 19.632 -4.735 684 HB2 GLN 87 1HB GLN 87 -10.292 20.035 -3.920 685 HB3 GLN 87 2HB GLN 87 -9.784 21.548 -3.157 686 HG2 GLN 87 1HG GLN 87 -9.365 22.571 -5.333 687 HG3 GLN 87 2HG GLN 87 -9.631 21.027 -6.158 688 HE21 GLN 87 1HE2 GLN 87 -13.019 22.811 -4.590 689 HE22 GLN 87 2HE2 GLN 87 -11.558 22.812 -3.614 690 H LEU 88 H LEU 88 -7.079 21.823 -2.205 691 HA LEU 88 HA LEU 88 -6.110 23.949 -3.953 692 HB2 LEU 88 1HB LEU 88 -6.062 23.463 -0.959 693 HB3 LEU 88 2HB LEU 88 -5.129 24.757 -1.690 694 HG LEU 88 HG LEU 88 -7.148 25.772 -2.647 695 HD11 LEU 88 1HD1 LEU 88 -9.393 25.102 -1.778 696 HD12 LEU 88 2HD1 LEU 88 -8.669 23.615 -1.123 697 HD13 LEU 88 3HD1 LEU 88 -8.700 23.916 -2.880 698 HD21 LEU 88 1HD2 LEU 88 -7.319 25.243 0.347 699 HD22 LEU 88 2HD2 LEU 88 -8.046 26.615 -0.523 700 HD23 LEU 88 3HD2 LEU 88 -6.285 26.455 -0.442 701 H HIS 89 H HIS 89 -4.051 24.637 -4.314 702 HA HIS 89 HA HIS 89 -1.681 23.316 -3.278 703 HB2 HIS 89 1HB HIS 89 -0.752 22.676 -5.450 704 HB3 HIS 89 2HB HIS 89 -2.219 21.773 -5.113 705 HD2 HIS 89 2HD HIS 89 -4.328 22.159 -6.715 706 HE1 HIS 89 1HE HIS 89 -2.477 24.822 -9.487 707 HE2 HIS 89 2HE HIS 89 -4.539 23.399 -9.034 708 H GLU 90 H GLU 90 0.303 24.455 -3.949 709 HA GLU 90 HA GLU 90 0.094 27.089 -5.178 710 HB2 GLU 90 1HB GLU 90 0.595 28.420 -3.285 711 HB3 GLU 90 2HB GLU 90 -0.840 27.505 -2.896 712 HG2 GLU 90 1HG GLU 90 1.989 26.917 -1.917 713 HG3 GLU 90 2HG GLU 90 0.738 27.740 -1.008 714 H ARG 91 H ARG 91 2.209 28.314 -4.965 715 HA ARG 91 HA ARG 91 4.423 26.731 -5.857 716 HB2 ARG 91 1HB ARG 91 3.962 29.125 -6.457 717 HB3 ARG 91 2HB ARG 91 4.329 29.594 -4.805 718 HG2 ARG 91 1HG ARG 91 6.209 30.107 -6.222 719 HG3 ARG 91 2HG ARG 91 6.676 28.847 -5.093 720 HD2 ARG 91 1HD ARG 91 7.603 28.350 -7.284 721 HD3 ARG 91 2HD ARG 91 6.401 27.136 -6.889 722 HE ARG 91 HE ARG 91 5.028 27.880 -8.617 723 HH11 ARG 91 1HH1 ARG 91 7.640 30.203 -8.305 724 HH12 ARG 91 2HH1 ARG 91 7.230 30.990 -9.804 725 HH21 ARG 91 1HH2 ARG 91 4.566 28.935 -10.506 726 HH22 ARG 91 2HH2 ARG 91 5.537 30.287 -11.010 727 H ILE 92 H ILE 92 6.311 26.107 -4.872 728 HA ILE 92 HA ILE 92 6.223 25.175 -2.233 729 HB ILE 92 HB ILE 92 8.605 25.648 -4.057 730 HG12 ILE 92 1HG1 ILE 92 7.059 23.088 -3.413 731 HG13 ILE 92 2HG1 ILE 92 6.790 24.066 -4.851 732 HG21 ILE 92 1HG2 ILE 92 9.846 24.032 -2.630 733 HG22 ILE 92 2HG2 ILE 92 9.434 25.476 -1.736 734 HG23 ILE 92 3HG2 ILE 92 8.484 23.991 -1.491 735 HD11 ILE 92 1HD1 ILE 92 9.322 22.527 -4.196 736 HD12 ILE 92 2HD1 ILE 92 8.159 22.230 -5.492 737 HD13 ILE 92 3HD1 ILE 92 9.171 23.687 -5.540 738 H GLN 93 H GLN 93 6.797 25.861 -0.304 739 HA GLN 93 HA GLN 93 7.855 28.623 0.093 740 HB2 GLN 93 1HB GLN 93 6.145 29.016 1.699 741 HB3 GLN 93 2HB GLN 93 5.375 28.518 0.208 742 HG2 GLN 93 1HG GLN 93 5.866 26.553 2.501 743 HG3 GLN 93 2HG GLN 93 4.479 27.619 2.458 744 HE21 GLN 93 1HE2 GLN 93 2.672 27.010 1.264 745 HE22 GLN 93 2HE2 GLN 93 2.634 25.588 0.222 746 H SER 94 H SER 94 8.234 28.989 2.555 747 HA SER 94 HA SER 94 10.403 27.415 3.459 748 HB2 SER 94 1HB SER 94 8.582 29.222 5.094 749 HB3 SER 94 2HB SER 94 10.230 28.731 5.519 750 HG SER 94 HG SER 94 11.016 29.904 3.769 751 H SER 95 H SER 95 10.653 26.136 5.337 752 HA SER 95 HA SER 95 8.829 23.972 5.465 753 HB2 SER 95 1HB SER 95 11.276 24.494 7.183 754 HB3 SER 95 2HB SER 95 10.498 22.927 6.883 755 HG SER 95 HG SER 95 12.319 23.260 5.528 756 H SER 96 H SER 96 7.268 26.020 6.441 757 HA SER 96 HA SER 96 6.971 25.952 9.340 758 HB2 SER 96 1HB SER 96 6.141 27.812 7.943 759 HB3 SER 96 2HB SER 96 4.984 26.710 7.168 760 HG SER 96 HG SER 96 4.067 27.909 8.921 761 H MET 97 H MET 97 5.363 24.851 10.546 762 HA MET 97 HA MET 97 4.030 22.488 9.341 763 HB2 MET 97 1HB MET 97 5.963 22.297 11.689 764 HB3 MET 97 2HB MET 97 4.946 20.993 11.069 765 HG2 MET 97 1HG MET 97 6.136 21.148 8.877 766 HG3 MET 97 2HG MET 97 7.209 22.363 9.581 767 HE1 MET 97 1HE MET 97 9.366 21.117 8.945 768 HE2 MET 97 2HE MET 97 9.653 19.390 9.250 769 HE3 MET 97 3HE MET 97 8.377 19.891 8.119 770 H ASP 98 H ASP 98 2.363 21.595 10.579 771 HA ASP 98 HA ASP 98 0.958 23.455 12.338 772 HB2 ASP 98 1HB ASP 98 0.259 20.642 11.426 773 HB3 ASP 98 2HB ASP 98 -0.829 21.743 12.271 774 H ALA 99 H ALA 99 3.402 21.383 13.091 775 HA ALA 99 HA ALA 99 4.168 20.252 14.857 776 HB1 ALA 99 1HB ALA 99 2.370 22.046 16.519 777 HB2 ALA 99 2HB ALA 99 3.829 21.192 17.058 778 HB3 ALA 99 3HB ALA 99 3.960 22.494 15.863 779 H LYS 100 H LYS 100 1.739 19.185 13.543 780 HA LYS 100 HA LYS 100 1.338 16.874 15.286 781 HB2 LYS 100 1HB LYS 100 -1.078 16.941 15.318 782 HB3 LYS 100 2HB LYS 100 -0.461 18.422 16.039 783 HG2 LYS 100 1HG LYS 100 -0.901 19.630 13.884 784 HG3 LYS 100 2HG LYS 100 -1.566 18.135 13.204 785 HD2 LYS 100 1HD LYS 100 -3.304 18.099 14.972 786 HD3 LYS 100 2HD LYS 100 -2.644 19.607 15.646 787 HE2 LYS 100 1HE LYS 100 -3.079 20.761 13.491 788 HE3 LYS 100 2HE LYS 100 -3.726 19.262 12.811 789 HZ1 LYS 100 1HZ LYS 100 -5.484 19.334 14.501 790 HZ2 LYS 100 2HZ LYS 100 -5.505 20.704 13.617 791 HZ3 LYS 100 3HZ LYS 100 -4.887 20.720 15.127 792 H LEU 101 H LEU 101 0.126 15.140 14.163 793 HA LEU 101 HA LEU 101 -0.209 15.373 11.256 794 HB2 LEU 101 1HB LEU 101 2.140 14.679 11.452 795 HB3 LEU 101 2HB LEU 101 1.685 13.359 12.527 796 HG LEU 101 HG LEU 101 0.409 12.286 10.661 797 HD11 LEU 101 1HD1 LEU 101 1.627 14.517 8.969 798 HD12 LEU 101 2HD1 LEU 101 -0.107 14.262 9.268 799 HD13 LEU 101 3HD1 LEU 101 0.804 13.072 8.342 800 HD21 LEU 101 1HD2 LEU 101 2.755 11.677 11.125 801 HD22 LEU 101 2HD2 LEU 101 3.310 12.934 9.998 802 HD23 LEU 101 3HD2 LEU 101 2.371 11.543 9.403 803 H GLU 102 H GLU 102 -2.036 14.412 10.676 804 HA GLU 102 HA GLU 102 -3.045 11.977 12.010 805 HB2 GLU 102 1HB GLU 102 -4.639 14.559 11.719 806 HB3 GLU 102 2HB GLU 102 -5.364 12.997 12.054 807 HG2 GLU 102 1HG GLU 102 -3.419 14.482 13.869 808 HG3 GLU 102 2HG GLU 102 -5.161 14.394 14.058 809 H ALA 103 H ALA 103 -4.216 10.656 10.654 810 HA ALA 103 HA ALA 103 -4.182 11.271 7.780 811 HB1 ALA 103 1HB ALA 103 -5.064 8.791 9.299 812 HB2 ALA 103 2HB ALA 103 -4.921 8.948 7.536 813 HB3 ALA 103 3HB ALA 103 -3.471 9.062 8.551 814 H LEU 104 H LEU 104 -5.893 11.950 6.612 815 HA LEU 104 HA LEU 104 -8.653 11.390 7.375 816 HB2 LEU 104 1HB LEU 104 -9.429 13.672 7.543 817 HB3 LEU 104 2HB LEU 104 -8.190 13.361 8.732 818 HG LEU 104 HG LEU 104 -6.584 14.459 6.881 819 HD11 LEU 104 1HD1 LEU 104 -7.705 16.363 5.767 820 HD12 LEU 104 2HD1 LEU 104 -9.284 15.765 6.318 821 HD13 LEU 104 3HD1 LEU 104 -8.324 14.833 5.151 822 HD21 LEU 104 1HD2 LEU 104 -8.440 16.050 8.687 823 HD22 LEU 104 2HD2 LEU 104 -6.899 16.622 8.004 824 HD23 LEU 104 3HD2 LEU 104 -6.904 15.287 9.163 825 H LYS 105 H LYS 105 -10.212 12.072 5.779 826 HA LYS 105 HA LYS 105 -9.170 12.527 3.021 827 HB2 LYS 105 1HB LYS 105 -11.127 10.346 3.861 828 HB3 LYS 105 2HB LYS 105 -10.806 10.822 2.190 829 HG2 LYS 105 1HG LYS 105 -8.408 10.211 2.471 830 HG3 LYS 105 2HG LYS 105 -8.753 9.660 4.123 831 HD2 LYS 105 1HD LYS 105 -10.366 7.997 3.241 832 HD3 LYS 105 2HD LYS 105 -10.013 8.536 1.584 833 HE2 LYS 105 1HE LYS 105 -7.630 7.906 1.887 834 HE3 LYS 105 2HE LYS 105 -7.970 7.383 3.540 835 HZ1 LYS 105 1HZ LYS 105 -9.158 6.176 1.098 836 HZ2 LYS 105 2HZ LYS 105 -9.458 5.686 2.632 837 HZ3 LYS 105 3HZ LYS 105 -7.963 5.510 1.991 838 H ASP 106 H ASP 106 -10.754 13.224 1.526 839 HA ASP 106 HA ASP 106 -13.295 14.353 2.441 840 HB2 ASP 106 1HB ASP 106 -11.658 16.066 3.182 841 HB3 ASP 106 2HB ASP 106 -11.034 16.190 1.541 842 H LEU 107 H LEU 107 -10.904 14.778 -0.126 843 HA LEU 107 HA LEU 107 -10.778 14.386 -2.307 844 HB2 LEU 107 1HB LEU 107 -11.162 12.118 -1.405 845 HB3 LEU 107 2HB LEU 107 -12.879 12.276 -1.753 846 HG LEU 107 HG LEU 107 -12.408 12.360 -4.180 847 HD11 LEU 107 1HD1 LEU 107 -10.151 13.354 -4.206 848 HD12 LEU 107 2HD1 LEU 107 -10.123 11.776 -4.993 849 HD13 LEU 107 3HD1 LEU 107 -9.499 11.944 -3.336 850 HD21 LEU 107 1HD2 LEU 107 -11.066 10.030 -2.756 851 HD22 LEU 107 2HD2 LEU 107 -11.693 10.033 -4.420 852 HD23 LEU 107 3HD2 LEU 107 -12.809 10.206 -3.058 853 H ALA 108 H ALA 108 -13.861 15.510 -1.293 854 HA ALA 108 HA ALA 108 -15.167 15.874 -3.766 855 HB1 ALA 108 1HB ALA 108 -16.436 17.619 -2.571 856 HB2 ALA 108 2HB ALA 108 -16.226 16.174 -1.564 857 HB3 ALA 108 3HB ALA 108 -15.230 17.618 -1.267 858 H SER 109 H SER 109 -15.248 17.495 -5.281 859 HA SER 109 HA SER 109 -13.478 19.824 -5.242 860 HB2 SER 109 1HB SER 109 -12.218 19.167 -7.249 861 HB3 SER 109 2HB SER 109 -11.889 18.076 -5.900 862 HG SER 109 HG SER 109 -13.181 16.524 -6.835 863 H LEU 110 H LEU 110 -13.633 21.060 -7.318 864 HA LEU 110 HA LEU 110 -16.329 21.612 -7.996 865 HB2 LEU 110 1HB LEU 110 -14.488 23.240 -8.068 866 HB3 LEU 110 2HB LEU 110 -13.714 22.336 -9.367 867 HG LEU 110 HG LEU 110 -15.642 22.856 -10.871 868 HD11 LEU 110 1HD1 LEU 110 -17.433 23.222 -9.200 869 HD12 LEU 110 2HD1 LEU 110 -17.218 24.654 -10.208 870 HD13 LEU 110 3HD1 LEU 110 -16.557 24.628 -8.559 871 HD21 LEU 110 1HD2 LEU 110 -15.075 25.223 -11.191 872 HD22 LEU 110 2HD2 LEU 110 -13.624 24.266 -10.852 873 HD23 LEU 110 3HD2 LEU 110 -14.333 25.280 -9.574 874 H SER 111 H SER 111 -17.681 20.959 -9.586 875 HA SER 111 HA SER 111 -17.199 18.502 -10.986 876 HB2 SER 111 1HB SER 111 -19.430 20.545 -11.317 877 HB3 SER 111 2HB SER 111 -19.398 18.937 -12.056 878 HG SER 111 HG SER 111 -19.504 19.586 -9.283 879 H ARG 112 H ARG 112 -17.034 18.023 -13.149 880 HA ARG 112 HA ARG 112 -15.614 19.858 -14.898 881 HB2 ARG 112 1HB ARG 112 -15.628 18.043 -16.494 882 HB3 ARG 112 2HB ARG 112 -15.178 17.429 -14.916 883 HG2 ARG 112 1HG ARG 112 -17.205 16.268 -14.617 884 HG3 ARG 112 2HG ARG 112 -18.083 17.227 -15.808 885 HD2 ARG 112 1HD ARG 112 -15.806 15.356 -16.537 886 HD3 ARG 112 2HD ARG 112 -17.515 14.882 -16.524 887 HE ARG 112 HE ARG 112 -17.444 17.185 -18.110 888 HH11 ARG 112 1HH1 ARG 112 -15.997 13.997 -18.394 889 HH12 ARG 112 2HH1 ARG 112 -15.977 14.091 -20.135 890 HH21 ARG 112 1HH2 ARG 112 -17.395 17.252 -20.198 891 HH22 ARG 112 2HH2 ARG 112 -16.763 15.920 -21.170 892 H ASP 113 H ASP 113 -16.260 20.073 -17.187 893 HA ASP 113 HA ASP 113 -19.158 20.288 -17.762 894 HB2 ASP 113 1HB ASP 113 -18.474 22.544 -17.102 895 HB3 ASP 113 2HB ASP 113 -17.171 22.527 -18.284 Start of MODEL 10 1 H1 GLY 0 1H GLY 0 -2.104 -10.242 -30.939 2 H2 GLY 0 2H GLY 0 -2.104 -10.367 -29.305 3 H3 GLY 0 3H GLY 0 -1.528 -11.597 -30.219 4 HA2 GLY 0 1HA GLY 0 0.299 -10.249 -31.007 5 HA3 GLY 0 2HA GLY 0 -0.328 -8.907 -30.032 6 H MET 1 H MET 1 2.283 -9.866 -29.752 7 HA MET 1 HA MET 1 2.561 -11.734 -27.569 8 HB2 MET 1 1HB MET 1 4.467 -9.700 -28.790 9 HB3 MET 1 2HB MET 1 4.939 -10.835 -27.528 10 HG2 MET 1 1HG MET 1 3.842 -11.641 -30.249 11 HG3 MET 1 2HG MET 1 5.546 -11.589 -29.809 12 HE1 MET 1 1HE MET 1 4.097 -14.121 -31.100 13 HE2 MET 1 2HE MET 1 5.829 -14.065 -30.694 14 HE3 MET 1 3HE MET 1 4.830 -15.430 -30.147 15 HA PRO 2 HA PRO 2 1.901 -9.068 -24.065 16 HB2 PRO 2 1HB PRO 2 3.470 -10.222 -22.129 17 HB3 PRO 2 2HB PRO 2 1.980 -10.982 -22.768 18 HG2 PRO 2 1HG PRO 2 4.848 -11.489 -23.636 19 HG3 PRO 2 2HG PRO 2 3.604 -12.697 -23.179 20 HD2 PRO 2 1HD PRO 2 4.078 -12.075 -25.770 21 HD3 PRO 2 2HD PRO 2 2.410 -12.364 -25.195 22 HA PRO 3 HA PRO 3 5.152 -6.017 -23.910 23 HB2 PRO 3 1HB PRO 3 4.918 -4.920 -21.396 24 HB3 PRO 3 2HB PRO 3 3.727 -4.658 -22.707 25 HG2 PRO 3 1HG PRO 3 3.604 -6.702 -20.463 26 HG3 PRO 3 2HG PRO 3 2.328 -5.550 -20.980 27 HD2 PRO 3 1HD PRO 3 2.333 -8.116 -21.839 28 HD3 PRO 3 2HD PRO 3 1.883 -6.790 -22.951 29 HA PRO 4 HA PRO 4 8.737 -7.940 -22.209 30 HB2 PRO 4 1HB PRO 4 10.536 -5.890 -21.922 31 HB3 PRO 4 2HB PRO 4 9.980 -6.503 -23.510 32 HG2 PRO 4 1HG PRO 4 8.908 -4.119 -21.963 33 HG3 PRO 4 2HG PRO 4 9.412 -4.181 -23.683 34 HD2 PRO 4 1HD PRO 4 6.810 -4.425 -22.968 35 HD3 PRO 4 2HD PRO 4 7.486 -5.422 -24.291 36 H ALA 5 H ALA 5 9.839 -8.443 -20.344 37 HA ALA 5 HA ALA 5 8.677 -7.610 -17.813 38 HB1 ALA 5 1HB ALA 5 10.133 -9.370 -16.898 39 HB2 ALA 5 2HB ALA 5 9.209 -9.956 -18.293 40 HB3 ALA 5 3HB ALA 5 10.933 -9.550 -18.474 41 H ASP 6 H ASP 6 9.329 -5.326 -18.194 42 HA ASP 6 HA ASP 6 12.067 -4.488 -17.615 43 HB2 ASP 6 1HB ASP 6 9.463 -2.927 -17.662 44 HB3 ASP 6 2HB ASP 6 11.071 -2.226 -17.482 45 H ILE 7 H ILE 7 12.085 -6.048 -15.795 46 HA ILE 7 HA ILE 7 11.080 -4.917 -13.221 47 HB ILE 7 HB ILE 7 12.056 -7.727 -13.806 48 HG12 ILE 7 1HG1 ILE 7 9.223 -6.612 -13.689 49 HG13 ILE 7 2HG1 ILE 7 10.016 -7.326 -15.083 50 HG21 ILE 7 1HG2 ILE 7 12.301 -7.054 -11.434 51 HG22 ILE 7 2HG2 ILE 7 10.583 -6.590 -11.388 52 HG23 ILE 7 3HG2 ILE 7 11.073 -8.284 -11.615 53 HD11 ILE 7 1HD1 ILE 7 8.479 -8.925 -14.256 54 HD12 ILE 7 2HD1 ILE 7 10.106 -9.520 -13.866 55 HD13 ILE 7 3HD1 ILE 7 9.083 -8.786 -12.600 56 H VAL 8 H VAL 8 12.429 -4.319 -11.615 57 HA VAL 8 HA VAL 8 15.365 -4.811 -11.847 58 HB VAL 8 HB VAL 8 15.718 -2.513 -10.960 59 HG11 VAL 8 1HG1 VAL 8 16.116 -3.102 -13.329 60 HG12 VAL 8 2HG1 VAL 8 14.449 -2.629 -13.720 61 HG13 VAL 8 3HG1 VAL 8 15.605 -1.416 -13.136 62 HG21 VAL 8 1HG2 VAL 8 12.844 -1.986 -11.813 63 HG22 VAL 8 2HG2 VAL 8 13.495 -1.891 -10.162 64 HG23 VAL 8 3HG2 VAL 8 14.049 -0.757 -11.398 65 H LYS 9 H LYS 9 16.383 -5.414 -10.032 66 HA LYS 9 HA LYS 9 14.824 -5.840 -7.575 67 HB2 LYS 9 1HB LYS 9 16.479 -7.475 -8.542 68 HB3 LYS 9 2HB LYS 9 17.779 -6.366 -8.083 69 HG2 LYS 9 1HG LYS 9 17.183 -6.586 -5.712 70 HG3 LYS 9 2HG LYS 9 15.729 -7.512 -6.133 71 HD2 LYS 9 1HD LYS 9 17.180 -9.287 -7.137 72 HD3 LYS 9 2HD LYS 9 18.614 -8.388 -6.590 73 HE2 LYS 9 1HE LYS 9 17.840 -8.582 -4.245 74 HE3 LYS 9 2HE LYS 9 16.372 -9.409 -4.786 75 HZ1 LYS 9 1HZ LYS 9 18.049 -11.002 -4.043 76 HZ2 LYS 9 2HZ LYS 9 19.132 -10.458 -5.139 77 HZ3 LYS 9 3HZ LYS 9 17.767 -11.210 -5.635 78 H VAL 10 H VAL 10 15.089 -4.830 -5.632 79 HA VAL 10 HA VAL 10 16.949 -2.521 -5.376 80 HB VAL 10 HB VAL 10 15.169 -1.096 -4.496 81 HG11 VAL 10 1HG1 VAL 10 14.169 -0.431 -6.557 82 HG12 VAL 10 2HG1 VAL 10 15.794 -1.024 -6.932 83 HG13 VAL 10 3HG1 VAL 10 14.379 -2.039 -7.276 84 HG21 VAL 10 1HG2 VAL 10 13.187 -3.214 -5.423 85 HG22 VAL 10 2HG2 VAL 10 13.551 -2.808 -3.734 86 HG23 VAL 10 3HG2 VAL 10 12.802 -1.607 -4.782 87 H ALA 11 H ALA 11 17.235 -1.772 -3.211 88 HA ALA 11 HA ALA 11 16.511 -3.744 -1.065 89 HB1 ALA 11 1HB ALA 11 19.017 -2.023 -1.274 90 HB2 ALA 11 2HB ALA 11 18.606 -3.149 0.040 91 HB3 ALA 11 3HB ALA 11 18.936 -3.767 -1.591 92 H ILE 12 H ILE 12 14.973 -2.894 0.218 93 HA ILE 12 HA ILE 12 14.697 0.064 0.379 94 HB ILE 12 HB ILE 12 12.686 -2.070 1.087 95 HG12 ILE 12 1HG1 ILE 12 12.651 -0.335 -1.420 96 HG13 ILE 12 2HG1 ILE 12 13.359 -1.952 -1.421 97 HG21 ILE 12 1HG2 ILE 12 12.349 0.144 2.236 98 HG22 ILE 12 2HG2 ILE 12 12.371 0.947 0.656 99 HG23 ILE 12 3HG2 ILE 12 11.072 -0.183 1.084 100 HD11 ILE 12 1HD1 ILE 12 10.494 -1.340 -0.701 101 HD12 ILE 12 2HD1 ILE 12 11.082 -2.049 -2.212 102 HD13 ILE 12 3HD1 ILE 12 11.261 -2.938 -0.675 103 H GLU 13 H GLU 13 15.210 1.108 2.143 104 HA GLU 13 HA GLU 13 15.793 -0.298 4.682 105 HB2 GLU 13 1HB GLU 13 16.119 2.618 3.932 106 HB3 GLU 13 2HB GLU 13 16.681 1.851 5.421 107 HG2 GLU 13 1HG GLU 13 18.079 0.315 3.946 108 HG3 GLU 13 2HG GLU 13 17.693 1.373 2.590 109 H TRP 14 H TRP 14 14.775 0.005 6.605 110 HA TRP 14 HA TRP 14 12.722 2.021 7.019 111 HB2 TRP 14 1HB TRP 14 11.402 0.250 5.989 112 HB3 TRP 14 2HB TRP 14 12.065 -0.938 7.106 113 HD1 TRP 14 HD TRP 14 10.726 -1.392 9.201 114 HE1 TRP 14 1HE TRP 14 8.748 -0.324 10.440 115 HE3 TRP 14 3HE TRP 14 10.298 2.902 6.460 116 HZ2 TRP 14 2HZ TRP 14 7.207 2.118 10.288 117 HZ3 TRP 14 3HZ TRP 14 8.602 4.612 7.059 118 HH2 TRP 14 HH TRP 14 7.055 4.234 8.967 119 HA PRO 15 HA PRO 15 14.850 1.872 10.854 120 HB2 PRO 15 1HB PRO 15 12.301 2.703 12.232 121 HB3 PRO 15 2HB PRO 15 13.940 3.418 12.353 122 HG2 PRO 15 1HG PRO 15 12.071 4.620 10.820 123 HG3 PRO 15 2HG PRO 15 13.734 4.415 10.170 124 HD2 PRO 15 1HD PRO 15 11.309 2.654 9.716 125 HD3 PRO 15 2HD PRO 15 12.397 3.371 8.494 126 H GLY 16 H GLY 16 15.335 0.590 12.614 127 HA2 GLY 16 1HA GLY 16 15.231 -1.121 14.144 128 HA3 GLY 16 2HA GLY 16 13.474 -1.118 13.995 129 H ALA 17 H ALA 17 15.035 -1.636 10.966 130 HA ALA 17 HA ALA 17 15.051 -4.593 11.194 131 HB1 ALA 17 1HB ALA 17 13.555 -4.796 9.255 132 HB2 ALA 17 2HB ALA 17 12.736 -3.939 10.575 133 HB3 ALA 17 3HB ALA 17 13.369 -3.031 9.183 134 H TYR 18 H TYR 18 16.069 -5.683 9.454 135 HA TYR 18 HA TYR 18 18.291 -4.330 8.180 136 HB2 TYR 18 1HB TYR 18 17.107 -7.088 7.721 137 HB3 TYR 18 2HB TYR 18 18.647 -6.525 7.086 138 HD1 TYR 18 1HD TYR 18 20.460 -5.765 8.784 139 HD2 TYR 18 2HD TYR 18 17.016 -8.137 9.859 140 HE1 TYR 18 1HE TYR 18 21.619 -6.517 10.861 141 HE2 TYR 18 2HE TYR 18 18.174 -8.882 11.930 142 HH TYR 18 HH TYR 18 20.077 -8.759 13.199 143 HA PRO 19 HA PRO 19 16.321 -2.924 4.492 144 HB2 PRO 19 1HB PRO 19 18.630 -4.040 2.905 145 HB3 PRO 19 2HB PRO 19 17.897 -2.405 2.844 146 HG2 PRO 19 1HG PRO 19 20.221 -2.805 4.180 147 HG3 PRO 19 2HG PRO 19 18.937 -1.786 4.910 148 HD2 PRO 19 1HD PRO 19 19.571 -4.696 5.484 149 HD3 PRO 19 2HD PRO 19 19.269 -3.351 6.627 150 H LYS 20 H LYS 20 14.693 -3.702 3.299 151 HA LYS 20 HA LYS 20 14.357 -6.603 2.849 152 HB2 LYS 20 1HB LYS 20 12.492 -5.355 3.714 153 HB3 LYS 20 2HB LYS 20 12.557 -4.195 2.376 154 HG2 LYS 20 1HG LYS 20 11.873 -5.893 0.788 155 HG3 LYS 20 2HG LYS 20 12.003 -7.166 2.021 156 HD2 LYS 20 1HD LYS 20 10.144 -6.162 3.290 157 HD3 LYS 20 2HD LYS 20 10.089 -4.793 2.179 158 HE2 LYS 20 1HE LYS 20 8.277 -6.318 1.659 159 HE3 LYS 20 2HE LYS 20 9.423 -6.264 0.319 160 HZ1 LYS 20 1HZ LYS 20 9.344 -8.425 2.370 161 HZ2 LYS 20 2HZ LYS 20 10.322 -8.393 1.059 162 HZ3 LYS 20 3HZ LYS 20 8.711 -8.542 0.871 163 H LEU 21 H LEU 21 15.335 -7.491 1.166 164 HA LEU 21 HA LEU 21 15.750 -6.098 -1.390 165 HB2 LEU 21 1HB LEU 21 16.176 -8.964 -0.475 166 HB3 LEU 21 2HB LEU 21 16.492 -8.423 -2.120 167 HG LEU 21 HG LEU 21 17.847 -7.153 0.298 168 HD11 LEU 21 1HD1 LEU 21 18.867 -9.401 -1.488 169 HD12 LEU 21 2HD1 LEU 21 18.416 -9.545 0.226 170 HD13 LEU 21 3HD1 LEU 21 19.802 -8.547 -0.240 171 HD21 LEU 21 1HD2 LEU 21 19.484 -6.382 -1.353 172 HD22 LEU 21 2HD2 LEU 21 17.872 -5.833 -1.829 173 HD23 LEU 21 3HD2 LEU 21 18.613 -7.211 -2.658 174 H MET 22 H MET 22 14.312 -5.998 -3.008 175 HA MET 22 HA MET 22 12.360 -8.126 -3.475 176 HB2 MET 22 1HB MET 22 10.375 -6.929 -3.147 177 HB3 MET 22 2HB MET 22 11.318 -6.630 -1.711 178 HG2 MET 22 1HG MET 22 10.491 -4.532 -2.135 179 HG3 MET 22 2HG MET 22 12.081 -4.435 -2.870 180 HE1 MET 22 1HE MET 22 8.136 -4.577 -3.402 181 HE2 MET 22 2HE MET 22 8.043 -4.810 -5.165 182 HE3 MET 22 3HE MET 22 8.668 -6.103 -4.150 183 H GLU 23 H GLU 23 10.897 -7.459 -5.465 184 HA GLU 23 HA GLU 23 12.638 -6.058 -7.445 185 HB2 GLU 23 1HB GLU 23 10.850 -8.468 -7.907 186 HB3 GLU 23 2HB GLU 23 11.667 -7.513 -9.129 187 HG2 GLU 23 1HG GLU 23 13.153 -9.222 -8.900 188 HG3 GLU 23 2HG GLU 23 13.870 -7.997 -7.877 189 H ILE 24 H ILE 24 11.904 -4.403 -8.379 190 HA ILE 24 HA ILE 24 9.029 -3.617 -8.237 191 HB ILE 24 HB ILE 24 11.592 -2.078 -8.752 192 HG12 ILE 24 1HG1 ILE 24 9.360 -1.909 -6.680 193 HG13 ILE 24 2HG1 ILE 24 10.988 -2.508 -6.405 194 HG21 ILE 24 1HG2 ILE 24 8.759 -0.992 -9.090 195 HG22 ILE 24 2HG2 ILE 24 10.264 -0.056 -9.178 196 HG23 ILE 24 3HG2 ILE 24 9.925 -1.251 -10.406 197 HD11 ILE 24 1HD1 ILE 24 10.172 0.368 -6.936 198 HD12 ILE 24 2HD1 ILE 24 10.866 -0.328 -5.469 199 HD13 ILE 24 3HD1 ILE 24 11.861 -0.202 -6.934 200 H ASP 25 H ASP 25 7.881 -4.423 -9.831 201 HA ASP 25 HA ASP 25 8.946 -4.693 -12.586 202 HB2 ASP 25 1HB ASP 25 7.529 -6.468 -11.665 203 HB3 ASP 25 2HB ASP 25 6.234 -5.311 -11.373 204 H GLN 26 H GLN 26 8.953 -2.955 -13.885 205 HA GLN 26 HA GLN 26 7.652 -0.507 -13.118 206 HB2 GLN 26 1HB GLN 26 8.986 -1.247 -15.725 207 HB3 GLN 26 2HB GLN 26 8.513 0.381 -15.258 208 HG2 GLN 26 1HG GLN 26 10.532 -1.286 -13.673 209 HG3 GLN 26 2HG GLN 26 10.951 -0.186 -14.971 210 HE21 GLN 26 1HE2 GLN 26 12.285 0.997 -13.438 211 HE22 GLN 26 2HE2 GLN 26 11.507 2.157 -12.370 212 H LYS 27 H LYS 27 6.356 -3.223 -14.778 213 HA LYS 27 HA LYS 27 4.184 -1.687 -16.092 214 HB2 LYS 27 1HB LYS 27 4.374 -4.693 -15.705 215 HB3 LYS 27 2HB LYS 27 3.371 -3.814 -16.851 216 HG2 LYS 27 1HG LYS 27 6.395 -4.129 -16.927 217 HG3 LYS 27 2HG LYS 27 5.220 -4.879 -17.999 218 HD2 LYS 27 1HD LYS 27 4.660 -2.704 -18.997 219 HD3 LYS 27 2HD LYS 27 5.715 -1.872 -17.827 220 HE2 LYS 27 1HE LYS 27 7.627 -3.289 -18.643 221 HE3 LYS 27 2HE LYS 27 6.600 -3.892 -19.938 222 HZ1 LYS 27 1HZ LYS 27 7.121 -0.995 -19.528 223 HZ2 LYS 27 2HZ LYS 27 6.517 -1.705 -20.877 224 HZ3 LYS 27 3HZ LYS 27 8.098 -1.927 -20.428 225 H LYS 28 H LYS 28 4.729 -3.114 -12.961 226 HA LYS 28 HA LYS 28 1.858 -3.347 -12.281 227 HB2 LYS 28 1HB LYS 28 4.437 -3.814 -10.734 228 HB3 LYS 28 2HB LYS 28 2.863 -3.762 -9.934 229 HG2 LYS 28 1HG LYS 28 2.030 -5.561 -11.447 230 HG3 LYS 28 2HG LYS 28 3.619 -5.634 -12.211 231 HD2 LYS 28 1HD LYS 28 3.488 -7.437 -10.653 232 HD3 LYS 28 2HD LYS 28 4.613 -6.254 -9.975 233 HE2 LYS 28 1HE LYS 28 2.847 -5.399 -8.472 234 HE3 LYS 28 2HE LYS 28 1.667 -6.490 -9.213 235 HZ1 LYS 28 1HZ LYS 28 2.979 -8.369 -8.391 236 HZ2 LYS 28 2HZ LYS 28 2.542 -7.415 -7.145 237 HZ3 LYS 28 3HZ LYS 28 4.076 -7.371 -7.707 238 HA PRO 29 HA PRO 29 1.434 0.804 -10.749 239 HB2 PRO 29 1HB PRO 29 -0.584 0.521 -8.906 240 HB3 PRO 29 2HB PRO 29 -0.851 0.440 -10.669 241 HG2 PRO 29 1HG PRO 29 -0.554 -1.840 -8.728 242 HG3 PRO 29 2HG PRO 29 -1.737 -1.669 -10.056 243 HD2 PRO 29 1HD PRO 29 0.557 -3.155 -10.252 244 HD3 PRO 29 2HD PRO 29 -0.177 -2.322 -11.647 245 H LEU 30 H LEU 30 2.348 2.030 -9.173 246 HA LEU 30 HA LEU 30 4.107 0.858 -7.257 247 HB2 LEU 30 1HB LEU 30 2.944 3.655 -7.567 248 HB3 LEU 30 2HB LEU 30 4.146 3.268 -6.339 249 HG LEU 30 HG LEU 30 4.665 2.722 -9.288 250 HD11 LEU 30 1HD1 LEU 30 5.890 4.871 -9.314 251 HD12 LEU 30 2HD1 LEU 30 5.244 5.242 -7.698 252 HD13 LEU 30 3HD1 LEU 30 4.144 5.078 -9.091 253 HD21 LEU 30 1HD2 LEU 30 6.189 1.595 -7.694 254 HD22 LEU 30 2HD2 LEU 30 6.518 3.149 -6.900 255 HD23 LEU 30 3HD2 LEU 30 7.031 2.871 -8.579 256 H SER 31 H SER 31 0.711 1.934 -6.886 257 HA SER 31 HA SER 31 0.522 1.769 -4.077 258 HB2 SER 31 1HB SER 31 -1.593 0.968 -6.117 259 HB3 SER 31 2HB SER 31 -1.870 1.443 -4.430 260 HG SER 31 HG SER 31 -2.209 3.190 -5.882 261 H ALA 32 H ALA 32 0.217 -0.901 -6.490 262 HA ALA 32 HA ALA 32 -0.376 -2.936 -4.505 263 HB1 ALA 32 1HB ALA 32 0.719 -3.174 -7.350 264 HB2 ALA 32 2HB ALA 32 0.059 -4.495 -6.365 265 HB3 ALA 32 3HB ALA 32 -1.001 -3.173 -6.880 266 H ILE 33 H ILE 33 2.628 -1.776 -6.058 267 HA ILE 33 HA ILE 33 4.414 -3.684 -4.832 268 HB ILE 33 HB ILE 33 4.858 -0.867 -5.907 269 HG12 ILE 33 1HG1 ILE 33 5.501 -3.584 -7.137 270 HG13 ILE 33 2HG1 ILE 33 4.064 -2.655 -7.529 271 HG21 ILE 33 1HG2 ILE 33 6.651 -1.425 -4.288 272 HG22 ILE 33 2HG2 ILE 33 6.937 -2.952 -5.138 273 HG23 ILE 33 3HG2 ILE 33 7.269 -1.392 -5.926 274 HD11 ILE 33 1HD1 ILE 33 5.503 -0.788 -8.357 275 HD12 ILE 33 2HD1 ILE 33 6.922 -1.838 -8.103 276 HD13 ILE 33 3HD1 ILE 33 5.672 -2.304 -9.261 277 H ILE 34 H ILE 34 3.469 -0.358 -3.803 278 HA ILE 34 HA ILE 34 4.997 -0.371 -1.398 279 HB ILE 34 HB ILE 34 2.555 1.199 -2.272 280 HG12 ILE 34 1HG1 ILE 34 5.419 2.179 -1.870 281 HG13 ILE 34 2HG1 ILE 34 4.931 1.439 -3.384 282 HG21 ILE 34 1HG2 ILE 34 2.536 1.202 0.186 283 HG22 ILE 34 2HG2 ILE 34 4.258 1.633 0.228 284 HG23 ILE 34 3HG2 ILE 34 3.047 2.771 -0.400 285 HD11 ILE 34 1HD1 ILE 34 4.793 3.846 -3.587 286 HD12 ILE 34 2HD1 ILE 34 3.164 3.149 -3.696 287 HD13 ILE 34 3HD1 ILE 34 3.689 3.947 -2.205 288 H LYS 35 H LYS 35 1.656 -1.570 -2.013 289 HA LYS 35 HA LYS 35 1.089 -2.343 0.688 290 HB2 LYS 35 1HB LYS 35 -0.518 -2.280 -1.282 291 HB3 LYS 35 2HB LYS 35 0.183 -3.783 -1.839 292 HG2 LYS 35 1HG LYS 35 -0.460 -4.885 0.302 293 HG3 LYS 35 2HG LYS 35 -1.164 -3.356 0.859 294 HD2 LYS 35 1HD LYS 35 -2.696 -3.396 -1.145 295 HD3 LYS 35 2HD LYS 35 -2.028 -4.985 -1.573 296 HE2 LYS 35 1HE LYS 35 -2.774 -5.848 0.673 297 HE3 LYS 35 2HE LYS 35 -3.504 -4.271 1.003 298 HZ1 LYS 35 1HZ LYS 35 -4.280 -6.136 -1.179 299 HZ2 LYS 35 2HZ LYS 35 -4.889 -4.627 -1.021 300 HZ3 LYS 35 3HZ LYS 35 -5.196 -5.746 0.120 301 H GLU 36 H GLU 36 2.848 -4.139 -1.894 302 HA GLU 36 HA GLU 36 3.291 -6.507 -0.311 303 HB2 GLU 36 1HB GLU 36 4.426 -5.301 -2.859 304 HB3 GLU 36 2HB GLU 36 5.132 -6.729 -2.179 305 HG2 GLU 36 1HG GLU 36 2.217 -6.411 -3.007 306 HG3 GLU 36 2HG GLU 36 3.468 -7.215 -3.948 307 H VAL 37 H VAL 37 5.175 -3.498 -0.726 308 HA VAL 37 HA VAL 37 7.449 -4.352 0.852 309 HB VAL 37 HB VAL 37 6.380 -1.560 0.289 310 HG11 VAL 37 1HG1 VAL 37 8.627 -0.769 0.931 311 HG12 VAL 37 2HG1 VAL 37 7.824 -1.544 2.298 312 HG13 VAL 37 3HG1 VAL 37 9.082 -2.422 1.414 313 HG21 VAL 37 1HG2 VAL 37 8.678 -3.128 -0.950 314 HG22 VAL 37 2HG2 VAL 37 7.118 -2.826 -1.716 315 HG23 VAL 37 3HG2 VAL 37 8.176 -1.463 -1.363 316 H CYS 38 H CYS 38 4.609 -2.352 1.691 317 HA CYS 38 HA CYS 38 5.201 -2.046 4.446 318 HB2 CYS 38 1HB CYS 38 2.513 -2.012 3.007 319 HB3 CYS 38 2HB CYS 38 2.741 -1.524 4.675 320 HG CYS 38 HG CYS 38 3.984 -0.274 1.898 321 H ASP 39 H ASP 39 3.205 -4.623 2.888 322 HA ASP 39 HA ASP 39 2.524 -6.006 5.275 323 HB2 ASP 39 1HB ASP 39 1.515 -6.347 3.023 324 HB3 ASP 39 2HB ASP 39 3.012 -7.112 2.479 325 H GLY 40 H GLY 40 5.564 -5.988 3.465 326 HA2 GLY 40 1HA GLY 40 6.834 -8.296 4.594 327 HA3 GLY 40 2HA GLY 40 7.627 -6.863 3.919 328 H TRP 41 H TRP 41 6.253 -5.075 5.921 329 HA TRP 41 HA TRP 41 7.616 -5.862 8.460 330 HB2 TRP 41 1HB TRP 41 7.191 -3.125 7.230 331 HB3 TRP 41 2HB TRP 41 7.758 -3.391 8.871 332 HD1 TRP 41 HD TRP 41 10.018 -5.255 8.837 333 HE1 TRP 41 1HE TRP 41 12.183 -4.933 7.496 334 HE3 TRP 41 3HE TRP 41 8.295 -2.014 5.262 335 HZ2 TRP 41 2HZ TRP 41 13.080 -3.409 5.232 336 HZ3 TRP 41 3HZ TRP 41 9.858 -1.109 3.546 337 HH2 TRP 41 HH TRP 41 12.227 -1.802 3.521 338 H SER 42 H SER 42 4.767 -6.343 7.388 339 HA SER 42 HA SER 42 2.632 -6.359 8.092 340 HB2 SER 42 1HB SER 42 3.820 -6.142 10.873 341 HB3 SER 42 2HB SER 42 2.211 -6.754 10.453 342 HG SER 42 HG SER 42 3.739 -8.444 10.739 343 H LEU 43 H LEU 43 3.662 -3.677 7.468 344 HA LEU 43 HA LEU 43 2.435 -1.769 9.299 345 HB2 LEU 43 1HB LEU 43 3.721 -1.580 6.566 346 HB3 LEU 43 2HB LEU 43 3.032 -0.178 7.338 347 HG LEU 43 HG LEU 43 5.221 -1.913 8.592 348 HD11 LEU 43 1HD1 LEU 43 6.800 -0.195 7.874 349 HD12 LEU 43 2HD1 LEU 43 5.497 0.691 7.051 350 HD13 LEU 43 3HD1 LEU 43 5.994 -0.919 6.481 351 HD21 LEU 43 1HD2 LEU 43 5.639 0.080 9.997 352 HD22 LEU 43 2HD2 LEU 43 4.004 -0.535 10.246 353 HD23 LEU 43 3HD2 LEU 43 4.261 0.911 9.242 354 H ALA 44 H ALA 44 0.400 -1.211 9.399 355 HA ALA 44 HA ALA 44 -1.594 -1.878 7.379 356 HB1 ALA 44 1HB ALA 44 -3.132 -0.791 8.972 357 HB2 ALA 44 2HB ALA 44 -2.083 -1.951 9.803 358 HB3 ALA 44 3HB ALA 44 -1.754 -0.207 9.928 359 H ASN 45 H ASN 45 -3.056 -0.227 6.517 360 HA ASN 45 HA ASN 45 -3.453 1.485 5.079 361 HB2 ASN 45 1HB ASN 45 -2.095 3.143 7.229 362 HB3 ASN 45 2HB ASN 45 -3.238 3.726 6.027 363 HD21 ASN 45 1HD2 ASN 45 -3.167 3.275 9.175 364 HD22 ASN 45 2HD2 ASN 45 -4.787 2.646 9.443 365 H HIS 46 H HIS 46 -1.534 0.170 3.896 366 HA HIS 46 HA HIS 46 0.958 1.428 3.377 367 HB2 HIS 46 1HB HIS 46 1.075 -0.062 1.510 368 HB3 HIS 46 2HB HIS 46 0.248 -0.930 2.801 369 HD2 HIS 46 2HD HIS 46 -0.238 0.496 -0.685 370 HE1 HIS 46 1HE HIS 46 -4.069 -1.005 0.405 371 HE2 HIS 46 2HE HIS 46 -2.684 -0.045 -1.507 372 H GLU 47 H GLU 47 -2.247 2.161 2.121 373 HA GLU 47 HA GLU 47 -1.535 3.808 -0.090 374 HB2 GLU 47 1HB GLU 47 -3.822 4.702 0.152 375 HB3 GLU 47 2HB GLU 47 -3.746 2.939 0.126 376 HG2 GLU 47 1HG GLU 47 -4.114 2.771 2.471 377 HG3 GLU 47 2HG GLU 47 -3.826 4.503 2.725 378 H TYR 48 H TYR 48 -1.024 4.451 3.270 379 HA TYR 48 HA TYR 48 -0.817 7.372 2.932 380 HB2 TYR 48 1HB TYR 48 0.182 5.530 5.135 381 HB3 TYR 48 2HB TYR 48 0.235 7.277 5.171 382 HD1 TYR 48 1HD TYR 48 -2.950 6.821 3.805 383 HD2 TYR 48 2HD TYR 48 -0.712 6.187 7.446 384 HE1 TYR 48 1HE TYR 48 -5.050 6.907 5.120 385 HE2 TYR 48 2HE TYR 48 -2.805 6.309 8.759 386 HH TYR 48 HH TYR 48 -5.093 6.581 8.691 387 H PHE 49 H PHE 49 1.179 4.651 2.152 388 HA PHE 49 HA PHE 49 3.702 6.070 2.723 389 HB2 PHE 49 1HB PHE 49 3.039 3.188 2.114 390 HB3 PHE 49 2HB PHE 49 4.675 3.802 2.108 391 HD1 PHE 49 1HD PHE 49 5.917 4.076 4.090 392 HD2 PHE 49 2HD PHE 49 1.661 3.424 4.308 393 HE1 PHE 49 1HE PHE 49 6.070 3.831 6.554 394 HE2 PHE 49 2HE PHE 49 1.824 3.140 6.766 395 HZ PHE 49 HZ PHE 49 4.032 3.352 7.898 396 H ALA 50 H ALA 50 5.445 6.007 1.355 397 HA ALA 50 HA ALA 50 5.142 5.553 -1.531 398 HB1 ALA 50 1HB ALA 50 4.696 7.953 -1.358 399 HB2 ALA 50 2HB ALA 50 6.114 8.182 -0.300 400 HB3 ALA 50 3HB ALA 50 6.325 7.716 -2.002 401 H LEU 51 H LEU 51 7.140 5.125 -2.527 402 HA LEU 51 HA LEU 51 9.390 4.379 -0.737 403 HB2 LEU 51 1HB LEU 51 8.705 3.929 -3.652 404 HB3 LEU 51 2HB LEU 51 10.357 3.711 -3.075 405 HG LEU 51 HG LEU 51 7.972 2.268 -1.835 406 HD11 LEU 51 1HD1 LEU 51 8.673 0.307 -3.161 407 HD12 LEU 51 2HD1 LEU 51 9.887 1.303 -3.995 408 HD13 LEU 51 3HD1 LEU 51 8.155 1.641 -4.204 409 HD21 LEU 51 1HD2 LEU 51 9.689 0.730 -0.994 410 HD22 LEU 51 2HD2 LEU 51 10.016 2.356 -0.410 411 HD23 LEU 51 3HD2 LEU 51 10.973 1.696 -1.753 412 H GLN 52 H GLN 52 11.443 5.337 -1.015 413 HA GLN 52 HA GLN 52 11.599 7.885 -2.544 414 HB2 GLN 52 1HB GLN 52 10.809 8.373 -0.272 415 HB3 GLN 52 2HB GLN 52 12.195 7.517 0.420 416 HG2 GLN 52 1HG GLN 52 13.727 9.216 -0.508 417 HG3 GLN 52 2HG GLN 52 12.378 9.977 -1.362 418 HE21 GLN 52 1HE2 GLN 52 12.085 12.181 1.376 419 HE22 GLN 52 2HE2 GLN 52 12.485 12.010 -0.332 420 H HIS 53 H HIS 53 13.626 8.439 -3.243 421 HA HIS 53 HA HIS 53 15.593 6.320 -3.523 422 HB2 HIS 53 1HB HIS 53 15.423 9.204 -4.345 423 HB3 HIS 53 2HB HIS 53 17.005 8.449 -4.282 424 HD2 HIS 53 2HD HIS 53 13.944 8.596 -6.474 425 HE1 HIS 53 1HE HIS 53 16.510 5.661 -8.202 426 HE2 HIS 53 2HE HIS 53 14.418 7.074 -8.568 427 H ALA 54 H ALA 54 17.314 5.759 -2.373 428 HA ALA 54 HA ALA 54 18.364 7.617 -0.272 429 HB1 ALA 54 1HB ALA 54 19.337 5.657 0.754 430 HB2 ALA 54 2HB ALA 54 17.610 5.347 0.470 431 HB3 ALA 54 3HB ALA 54 18.839 4.637 -0.604 432 H ASP 55 H ASP 55 19.232 5.759 -3.198 433 HA ASP 55 HA ASP 55 22.015 6.639 -3.238 434 HB2 ASP 55 1HB ASP 55 20.199 5.408 -5.343 435 HB3 ASP 55 2HB ASP 55 21.890 5.817 -5.626 436 H SER 56 H SER 56 19.087 7.661 -5.073 437 HA SER 56 HA SER 56 20.489 10.039 -6.118 438 HB2 SER 56 1HB SER 56 18.848 8.685 -7.466 439 HB3 SER 56 2HB SER 56 17.563 9.363 -6.445 440 HG SER 56 HG SER 56 18.124 10.513 -8.470 441 H SER 57 H SER 57 18.941 12.098 -6.016 442 HA SER 57 HA SER 57 19.401 13.035 -3.327 443 HB2 SER 57 1HB SER 57 20.002 14.263 -5.384 444 HB3 SER 57 2HB SER 57 18.287 14.554 -5.703 445 HG SER 57 HG SER 57 18.158 15.757 -3.826 446 H ASN 58 H ASN 58 17.620 11.374 -2.627 447 HA ASN 58 HA ASN 58 15.760 11.034 -1.406 448 HB2 ASN 58 1HB ASN 58 15.863 14.026 -0.942 449 HB3 ASN 58 2HB ASN 58 15.115 12.825 0.102 450 HD21 ASN 58 1HD2 ASN 58 17.922 14.623 -0.327 451 HD22 ASN 58 2HD2 ASN 58 18.978 13.623 0.660 452 H PHE 59 H PHE 59 15.164 11.715 -4.330 453 HA PHE 59 HA PHE 59 12.589 12.962 -4.379 454 HB2 PHE 59 1HB PHE 59 13.691 10.906 -6.321 455 HB3 PHE 59 2HB PHE 59 12.386 12.042 -6.622 456 HD1 PHE 59 1HD PHE 59 13.051 14.627 -6.226 457 HD2 PHE 59 2HD PHE 59 15.809 11.442 -7.152 458 HE1 PHE 59 1HE PHE 59 14.678 16.291 -7.101 459 HE2 PHE 59 2HE PHE 59 17.431 13.114 -8.033 460 HZ PHE 59 HZ PHE 59 16.868 15.534 -8.005 461 H TYR 60 H TYR 60 10.563 12.220 -4.005 462 HA TYR 60 HA TYR 60 10.035 9.532 -3.020 463 HB2 TYR 60 1HB TYR 60 8.176 11.765 -3.916 464 HB3 TYR 60 2HB TYR 60 7.645 10.241 -3.227 465 HD1 TYR 60 1HD TYR 60 8.151 9.639 -0.870 466 HD2 TYR 60 2HD TYR 60 9.030 13.547 -2.480 467 HE1 TYR 60 1HE TYR 60 8.297 10.568 1.439 468 HE2 TYR 60 2HE TYR 60 9.217 14.457 -0.173 469 HH TYR 60 HH TYR 60 9.122 13.999 2.069 470 H ILE 61 H ILE 61 9.058 7.817 -4.144 471 HA ILE 61 HA ILE 61 9.404 7.841 -7.060 472 HB ILE 61 HB ILE 61 8.549 5.626 -5.187 473 HG12 ILE 61 1HG1 ILE 61 10.804 6.225 -4.615 474 HG13 ILE 61 2HG1 ILE 61 10.867 4.753 -5.553 475 HG21 ILE 61 1HG2 ILE 61 9.111 4.108 -7.061 476 HG22 ILE 61 2HG2 ILE 61 7.767 5.173 -7.454 477 HG23 ILE 61 3HG2 ILE 61 9.373 5.515 -8.116 478 HD11 ILE 61 1HD1 ILE 61 11.598 7.571 -6.492 479 HD12 ILE 61 2HD1 ILE 61 12.670 6.184 -6.227 480 HD13 ILE 61 3HD1 ILE 61 11.524 6.164 -7.578 481 H THR 62 H THR 62 7.931 7.903 -8.551 482 HA THR 62 HA THR 62 5.020 7.797 -8.062 483 HB THR 62 HB THR 62 4.621 9.964 -9.044 484 HG1 THR 62 1HG THR 62 6.450 11.330 -9.484 485 HG21 THR 62 1HG2 THR 62 6.789 10.474 -6.974 486 HG22 THR 62 2HG2 THR 62 5.112 10.024 -6.584 487 HG23 THR 62 3HG2 THR 62 5.448 11.540 -7.436 488 H GLU 63 H GLU 63 3.887 8.094 -10.307 489 HA GLU 63 HA GLU 63 5.030 6.402 -12.311 490 HB2 GLU 63 1HB GLU 63 2.875 8.538 -12.550 491 HB3 GLU 63 2HB GLU 63 3.241 7.298 -13.762 492 HG2 GLU 63 1HG GLU 63 2.776 5.538 -12.002 493 HG3 GLU 63 2HG GLU 63 2.181 6.824 -10.945 494 H LYS 64 H LYS 64 5.666 9.751 -11.637 495 HA LYS 64 HA LYS 64 6.935 10.276 -14.280 496 HB2 LYS 64 1HB LYS 64 6.254 11.987 -11.859 497 HB3 LYS 64 2HB LYS 64 7.394 12.533 -13.077 498 HG2 LYS 64 1HG LYS 64 5.291 13.485 -13.577 499 HG3 LYS 64 2HG LYS 64 5.702 12.334 -14.847 500 HD2 LYS 64 1HD LYS 64 4.118 10.699 -13.946 501 HD3 LYS 64 2HD LYS 64 3.757 11.741 -12.561 502 HE2 LYS 64 1HE LYS 64 3.258 12.453 -15.493 503 HE3 LYS 64 2HE LYS 64 2.049 11.737 -14.426 504 HZ1 LYS 64 1HZ LYS 64 3.324 14.385 -13.997 505 HZ2 LYS 64 2HZ LYS 64 2.230 13.700 -12.991 506 HZ3 LYS 64 3HZ LYS 64 1.797 14.131 -14.502 507 H ASN 65 H ASN 65 7.883 9.218 -11.118 508 HA ASN 65 HA ASN 65 10.758 9.882 -11.665 509 HB2 ASN 65 1HB ASN 65 9.238 9.453 -9.066 510 HB3 ASN 65 2HB ASN 65 10.983 9.650 -9.165 511 HD21 ASN 65 1HD2 ASN 65 9.574 11.308 -7.571 512 HD22 ASN 65 2HD2 ASN 65 9.603 12.923 -8.275 513 H ARG 66 H ARG 66 8.659 7.106 -11.233 514 HA ARG 66 HA ARG 66 10.503 5.278 -10.125 515 HB2 ARG 66 1HB ARG 66 9.011 3.544 -10.852 516 HB3 ARG 66 2HB ARG 66 8.075 4.916 -10.276 517 HG2 ARG 66 1HG ARG 66 7.732 5.635 -12.685 518 HG3 ARG 66 2HG ARG 66 8.558 4.160 -13.200 519 HD2 ARG 66 1HD ARG 66 5.979 4.331 -11.596 520 HD3 ARG 66 2HD ARG 66 6.134 3.895 -13.308 521 HE ARG 66 HE ARG 66 7.772 2.089 -11.928 522 HH11 ARG 66 1HH1 ARG 66 4.326 2.636 -12.348 523 HH12 ARG 66 2HH1 ARG 66 3.970 1.000 -11.808 524 HH21 ARG 66 1HH2 ARG 66 7.140 0.123 -11.077 525 HH22 ARG 66 2HH2 ARG 66 5.455 -0.335 -11.175 526 H ASN 67 H ASN 67 10.481 6.441 -13.379 527 HA ASN 67 HA ASN 67 12.013 4.363 -14.643 528 HB2 ASN 67 1HB ASN 67 12.327 5.985 -16.391 529 HB3 ASN 67 2HB ASN 67 10.690 6.218 -15.784 530 HD21 ASN 67 1HD2 ASN 67 13.636 7.784 -16.491 531 HD22 ASN 67 2HD2 ASN 67 13.455 9.189 -15.450 532 H GLU 68 H GLU 68 12.951 6.904 -12.377 533 HA GLU 68 HA GLU 68 15.787 6.903 -13.055 534 HB2 GLU 68 1HB GLU 68 14.388 7.855 -10.533 535 HB3 GLU 68 2HB GLU 68 16.032 8.231 -11.018 536 HG2 GLU 68 1HG GLU 68 13.468 9.154 -12.366 537 HG3 GLU 68 2HG GLU 68 14.610 10.124 -11.452 538 H ILE 69 H ILE 69 13.820 4.646 -11.369 539 HA ILE 69 HA ILE 69 15.890 3.576 -9.593 540 HB ILE 69 HB ILE 69 13.277 2.357 -10.559 541 HG12 ILE 69 1HG1 ILE 69 13.861 3.773 -7.914 542 HG13 ILE 69 2HG1 ILE 69 12.964 4.491 -9.250 543 HG21 ILE 69 1HG2 ILE 69 15.033 1.565 -8.202 544 HG22 ILE 69 2HG2 ILE 69 13.536 0.765 -8.732 545 HG23 ILE 69 3HG2 ILE 69 14.965 0.689 -9.744 546 HD11 ILE 69 1HD1 ILE 69 11.267 2.663 -9.092 547 HD12 ILE 69 2HD1 ILE 69 12.091 2.088 -7.621 548 HD13 ILE 69 3HD1 ILE 69 11.378 3.698 -7.658 549 H LYS 70 H LYS 70 17.449 2.245 -10.169 550 HA LYS 70 HA LYS 70 17.239 0.608 -12.666 551 HB2 LYS 70 1HB LYS 70 19.611 0.703 -12.935 552 HB3 LYS 70 2HB LYS 70 19.040 2.361 -12.768 553 HG2 LYS 70 1HG LYS 70 19.823 2.458 -10.446 554 HG3 LYS 70 2HG LYS 70 20.208 0.738 -10.463 555 HD2 LYS 70 1HD LYS 70 21.844 1.304 -12.418 556 HD3 LYS 70 2HD LYS 70 21.610 2.985 -11.921 557 HE2 LYS 70 1HE LYS 70 23.535 2.291 -10.739 558 HE3 LYS 70 2HE LYS 70 22.236 2.229 -9.543 559 HZ1 LYS 70 1HZ LYS 70 22.097 -0.223 -10.024 560 HZ2 LYS 70 2HZ LYS 70 23.562 0.216 -9.435 561 HZ3 LYS 70 3HZ LYS 70 23.377 -0.088 -11.024 562 H ASN 71 H ASN 71 18.727 -1.403 -12.504 563 HA ASN 71 HA ASN 71 17.898 -3.028 -10.278 564 HB2 ASN 71 1HB ASN 71 18.555 -3.784 -12.639 565 HB3 ASN 71 2HB ASN 71 20.239 -3.558 -12.157 566 HD21 ASN 71 1HD2 ASN 71 21.184 -5.418 -11.299 567 HD22 ASN 71 2HD2 ASN 71 20.262 -6.730 -10.580 568 H GLY 72 H GLY 72 18.746 -3.311 -8.319 569 HA2 GLY 72 1HA GLY 72 20.298 -3.399 -6.590 570 HA3 GLY 72 2HA GLY 72 21.533 -2.671 -7.614 571 H THR 73 H THR 73 18.589 -0.827 -7.633 572 HA THR 73 HA THR 73 19.842 1.427 -6.332 573 HB THR 73 HB THR 73 16.894 0.990 -6.911 574 HG1 THR 73 1HG THR 73 18.031 0.935 -8.764 575 HG21 THR 73 1HG2 THR 73 16.771 3.467 -6.974 576 HG22 THR 73 2HG2 THR 73 18.445 3.560 -6.382 577 HG23 THR 73 3HG2 THR 73 17.163 2.873 -5.361 578 H ILE 74 H ILE 74 19.957 2.023 -4.230 579 HA ILE 74 HA ILE 74 18.399 0.564 -2.196 580 HB ILE 74 HB ILE 74 20.370 2.822 -1.795 581 HG12 ILE 74 1HG1 ILE 74 20.804 -0.199 -1.534 582 HG13 ILE 74 2HG1 ILE 74 21.413 0.788 -2.862 583 HG21 ILE 74 1HG2 ILE 74 20.358 2.096 0.556 584 HG22 ILE 74 2HG2 ILE 74 18.706 2.444 0.080 585 HG23 ILE 74 3HG2 ILE 74 19.247 0.764 0.172 586 HD11 ILE 74 1HD1 ILE 74 23.214 0.442 -1.360 587 HD12 ILE 74 2HD1 ILE 74 22.732 2.146 -1.255 588 HD13 ILE 74 3HD1 ILE 74 22.276 1.000 0.033 589 H LEU 75 H LEU 75 16.602 1.239 -1.338 590 HA LEU 75 HA LEU 75 15.537 3.994 -1.804 591 HB2 LEU 75 1HB LEU 75 14.049 1.352 -1.931 592 HB3 LEU 75 2HB LEU 75 13.295 2.939 -2.041 593 HG LEU 75 HG LEU 75 15.227 1.751 -4.082 594 HD11 LEU 75 1HD1 LEU 75 13.248 1.611 -5.506 595 HD12 LEU 75 2HD1 LEU 75 12.231 2.288 -4.218 596 HD13 LEU 75 3HD1 LEU 75 12.984 0.691 -4.016 597 HD21 LEU 75 1HD2 LEU 75 15.428 4.185 -4.097 598 HD22 LEU 75 2HD2 LEU 75 13.657 4.373 -4.094 599 HD23 LEU 75 3HD2 LEU 75 14.492 3.679 -5.501 600 H ARG 76 H ARG 76 13.701 4.442 -0.315 601 HA ARG 76 HA ARG 76 13.871 3.180 2.404 602 HB2 ARG 76 1HB ARG 76 14.087 6.101 1.576 603 HB3 ARG 76 2HB ARG 76 13.426 5.671 3.163 604 HG2 ARG 76 1HG ARG 76 15.390 4.649 3.889 605 HG3 ARG 76 2HG ARG 76 16.054 4.484 2.255 606 HD2 ARG 76 1HD ARG 76 16.353 6.949 2.155 607 HD3 ARG 76 2HD ARG 76 15.815 7.048 3.854 608 HE ARG 76 HE ARG 76 17.801 5.052 3.768 609 HH11 ARG 76 1HH1 ARG 76 17.906 8.511 3.151 610 HH12 ARG 76 2HH1 ARG 76 19.612 8.567 3.508 611 HH21 ARG 76 1HH2 ARG 76 19.763 5.155 4.164 612 HH22 ARG 76 2HH2 ARG 76 20.695 6.656 4.107 613 H LEU 77 H LEU 77 11.945 2.785 3.347 614 HA LEU 77 HA LEU 77 9.449 3.550 1.935 615 HB2 LEU 77 1HB LEU 77 9.592 1.284 2.769 616 HB3 LEU 77 2HB LEU 77 9.978 1.847 4.397 617 HG LEU 77 HG LEU 77 7.683 2.911 4.443 618 HD11 LEU 77 1HD1 LEU 77 7.394 1.312 1.843 619 HD12 LEU 77 2HD1 LEU 77 7.223 3.072 2.015 620 HD13 LEU 77 3HD1 LEU 77 6.036 1.986 2.750 621 HD21 LEU 77 1HD2 LEU 77 6.465 0.838 4.792 622 HD22 LEU 77 2HD2 LEU 77 8.091 0.739 5.493 623 HD23 LEU 77 3HD2 LEU 77 7.731 -0.075 3.955 624 H THR 78 H THR 78 8.088 5.169 2.598 625 HA THR 78 HA THR 78 8.415 6.503 5.212 626 HB THR 78 HB THR 78 10.189 7.519 3.950 627 HG1 THR 78 1HG THR 78 9.533 9.617 4.096 628 HG21 THR 78 1HG2 THR 78 8.151 8.158 1.774 629 HG22 THR 78 2HG2 THR 78 9.577 7.107 1.629 630 HG23 THR 78 3HG2 THR 78 9.794 8.828 1.880 631 H THR 79 H THR 79 6.641 7.961 5.726 632 HA THR 79 HA THR 79 4.145 7.423 4.276 633 HB THR 79 HB THR 79 3.191 9.182 5.803 634 HG1 THR 79 1HG THR 79 5.146 10.176 6.409 635 HG21 THR 79 1HG2 THR 79 4.451 6.731 7.086 636 HG22 THR 79 2HG2 THR 79 2.903 6.785 6.211 637 HG23 THR 79 3HG2 THR 79 3.083 7.677 7.725 638 H SER 80 H SER 80 3.281 8.574 2.702 639 HA SER 80 HA SER 80 4.952 10.279 1.155 640 HB2 SER 80 1HB SER 80 3.319 8.754 0.177 641 HB3 SER 80 2HB SER 80 1.988 9.630 0.943 642 HG SER 80 HG SER 80 2.498 10.166 -1.329 643 HA PRO 81 HA PRO 81 3.631 14.348 2.716 644 HB2 PRO 81 1HB PRO 81 4.261 15.921 0.553 645 HB3 PRO 81 2HB PRO 81 5.480 15.257 1.678 646 HG2 PRO 81 1HG PRO 81 4.611 14.120 -1.000 647 HG3 PRO 81 2HG PRO 81 6.278 14.423 -0.412 648 HD2 PRO 81 1HD PRO 81 5.157 11.968 -0.245 649 HD3 PRO 81 2HD PRO 81 6.176 12.584 1.086 650 H ALA 82 H ALA 82 2.501 12.834 -0.276 651 HA ALA 82 HA ALA 82 0.185 14.572 -0.617 652 HB1 ALA 82 1HB ALA 82 0.881 11.892 -1.890 653 HB2 ALA 82 2HB ALA 82 -0.348 13.044 -2.444 654 HB3 ALA 82 3HB ALA 82 1.367 13.488 -2.509 655 H GLN 83 H GLN 83 0.778 11.921 1.572 656 HA GLN 83 HA GLN 83 -1.836 10.758 1.453 657 HB2 GLN 83 1HB GLN 83 -1.294 9.467 3.277 658 HB3 GLN 83 2HB GLN 83 0.206 9.686 2.406 659 HG2 GLN 83 1HG GLN 83 1.156 10.254 4.342 660 HG3 GLN 83 2HG GLN 83 0.258 11.766 4.304 661 HE21 GLN 83 1HE2 GLN 83 -2.427 10.741 4.960 662 HE22 GLN 83 2HE2 GLN 83 -2.292 10.054 6.574 663 H ASN 84 H ASN 84 -0.886 13.767 2.737 664 HA ASN 84 HA ASN 84 -2.976 14.200 4.680 665 HB2 ASN 84 1HB ASN 84 -1.409 16.119 2.885 666 HB3 ASN 84 2HB ASN 84 -2.418 16.599 4.246 667 HD21 ASN 84 1HD2 ASN 84 0.770 15.610 3.344 668 HD22 ASN 84 2HD2 ASN 84 1.354 15.428 4.992 669 H ALA 85 H ALA 85 -3.015 14.048 1.182 670 HA ALA 85 HA ALA 85 -5.658 15.374 0.985 671 HB1 ALA 85 1HB ALA 85 -5.172 15.441 -1.404 672 HB2 ALA 85 2HB ALA 85 -3.804 16.100 -0.490 673 HB3 ALA 85 3HB ALA 85 -3.713 14.457 -1.170 674 H GLN 86 H GLN 86 -4.846 12.299 1.792 675 HA GLN 86 HA GLN 86 -6.342 10.717 -0.091 676 HB2 GLN 86 1HB GLN 86 -5.387 10.261 2.750 677 HB3 GLN 86 2HB GLN 86 -6.421 9.081 1.958 678 HG2 GLN 86 1HG GLN 86 -3.800 10.014 0.726 679 HG3 GLN 86 2HG GLN 86 -3.923 8.648 1.832 680 HE21 GLN 86 1HE2 GLN 86 -3.019 7.345 -0.032 681 HE22 GLN 86 2HE2 GLN 86 -4.148 6.865 -1.289 682 H GLN 87 H GLN 87 -8.322 9.654 0.159 683 HA GLN 87 HA GLN 87 -10.404 10.961 1.842 684 HB2 GLN 87 1HB GLN 87 -10.607 10.534 -1.169 685 HB3 GLN 87 2HB GLN 87 -11.885 11.131 -0.102 686 HG2 GLN 87 1HG GLN 87 -10.415 13.103 0.467 687 HG3 GLN 87 2HG GLN 87 -9.262 12.538 -0.744 688 HE21 GLN 87 1HE2 GLN 87 -9.824 14.906 -1.426 689 HE22 GLN 87 2HE2 GLN 87 -11.132 15.032 -2.599 690 H LEU 88 H LEU 88 -12.500 9.742 1.759 691 HA LEU 88 HA LEU 88 -12.092 6.950 2.342 692 HB2 LEU 88 1HB LEU 88 -14.648 8.524 1.927 693 HB3 LEU 88 2HB LEU 88 -14.543 6.889 2.573 694 HG LEU 88 HG LEU 88 -13.380 9.393 3.875 695 HD11 LEU 88 1HD1 LEU 88 -15.715 7.598 4.634 696 HD12 LEU 88 2HD1 LEU 88 -15.841 9.230 3.939 697 HD13 LEU 88 3HD1 LEU 88 -15.135 9.011 5.551 698 HD21 LEU 88 1HD2 LEU 88 -13.017 7.915 5.855 699 HD22 LEU 88 2HD2 LEU 88 -11.989 7.471 4.494 700 HD23 LEU 88 3HD2 LEU 88 -13.437 6.503 4.860 701 H HIS 89 H HIS 89 -12.246 5.200 1.140 702 HA HIS 89 HA HIS 89 -13.784 4.979 -1.311 703 HB2 HIS 89 1HB HIS 89 -11.843 4.376 -2.754 704 HB3 HIS 89 2HB HIS 89 -11.939 6.066 -2.327 705 HD2 HIS 89 2HD HIS 89 -10.242 3.868 0.345 706 HE1 HIS 89 1HE HIS 89 -7.119 5.751 -1.846 707 HE2 HIS 89 2HE HIS 89 -7.668 4.331 0.199 708 H GLU 90 H GLU 90 -13.557 2.763 -2.299 709 HA GLU 90 HA GLU 90 -13.685 0.764 -0.163 710 HB2 GLU 90 1HB GLU 90 -13.995 0.454 -3.176 711 HB3 GLU 90 2HB GLU 90 -14.365 -0.770 -1.965 712 HG2 GLU 90 1HG GLU 90 -15.790 1.881 -2.406 713 HG3 GLU 90 2HG GLU 90 -16.414 0.268 -2.726 714 H ARG 91 H ARG 91 -12.325 -0.873 0.286 715 HA ARG 91 HA ARG 91 -9.617 -0.958 -0.837 716 HB2 ARG 91 1HB ARG 91 -10.238 -1.404 1.603 717 HB3 ARG 91 2HB ARG 91 -11.023 -2.879 1.063 718 HG2 ARG 91 1HG ARG 91 -9.022 -3.713 1.755 719 HG3 ARG 91 2HG ARG 91 -8.636 -3.477 0.062 720 HD2 ARG 91 1HD ARG 91 -7.943 -1.600 2.360 721 HD3 ARG 91 2HD ARG 91 -6.844 -2.756 1.625 722 HE ARG 91 HE ARG 91 -6.986 -1.476 -0.499 723 HH11 ARG 91 1HH1 ARG 91 -7.729 0.321 2.467 724 HH12 ARG 91 2HH1 ARG 91 -7.172 1.814 1.703 725 HH21 ARG 91 1HH2 ARG 91 -6.417 0.584 -1.295 726 HH22 ARG 91 2HH2 ARG 91 -6.486 1.929 -0.157 727 H ILE 92 H ILE 92 -8.844 -2.387 -2.352 728 HA ILE 92 HA ILE 92 -10.645 -3.869 -4.048 729 HB ILE 92 HB ILE 92 -7.614 -3.880 -3.826 730 HG12 ILE 92 1HG1 ILE 92 -9.463 -2.572 -5.879 731 HG13 ILE 92 2HG1 ILE 92 -8.747 -1.722 -4.515 732 HG21 ILE 92 1HG2 ILE 92 -9.365 -5.121 -5.999 733 HG22 ILE 92 2HG2 ILE 92 -7.595 -4.983 -6.052 734 HG23 ILE 92 3HG2 ILE 92 -8.343 -6.013 -4.851 735 HD11 ILE 92 1HD1 ILE 92 -7.434 -1.218 -6.436 736 HD12 ILE 92 2HD1 ILE 92 -6.463 -2.269 -5.386 737 HD13 ILE 92 3HD1 ILE 92 -7.232 -2.923 -6.855 738 H GLN 93 H GLN 93 -8.234 -4.977 -1.636 739 HA GLN 93 HA GLN 93 -10.013 -7.076 -0.720 740 HB2 GLN 93 1HB GLN 93 -8.951 -8.238 -2.614 741 HB3 GLN 93 2HB GLN 93 -7.351 -7.804 -2.017 742 HG2 GLN 93 1HG GLN 93 -7.885 -10.145 -1.539 743 HG3 GLN 93 2HG GLN 93 -7.645 -9.244 -0.052 744 HE21 GLN 93 1HE2 GLN 93 -9.995 -11.049 -1.989 745 HE22 GLN 93 2HE2 GLN 93 -11.276 -10.975 -0.787 746 H SER 94 H SER 94 -9.729 -7.405 1.428 747 HA SER 94 HA SER 94 -7.806 -5.741 2.885 748 HB2 SER 94 1HB SER 94 -9.873 -7.740 3.882 749 HB3 SER 94 2HB SER 94 -9.008 -6.552 4.872 750 HG SER 94 HG SER 94 -10.091 -4.906 3.867 751 H SER 95 H SER 95 -8.240 -9.243 2.312 752 HA SER 95 HA SER 95 -5.472 -9.815 3.052 753 HB2 SER 95 1HB SER 95 -6.574 -9.785 5.285 754 HB3 SER 95 2HB SER 95 -7.735 -10.996 4.711 755 HG SER 95 HG SER 95 -6.138 -12.108 5.730 756 H SER 96 H SER 96 -4.833 -11.991 2.527 757 HA SER 96 HA SER 96 -6.330 -13.292 0.364 758 HB2 SER 96 1HB SER 96 -4.417 -14.838 0.343 759 HB3 SER 96 2HB SER 96 -3.897 -13.146 0.268 760 HG SER 96 HG SER 96 -2.657 -14.354 1.772 761 H MET 97 H MET 97 -6.161 -13.628 3.835 762 HA MET 97 HA MET 97 -7.917 -16.023 3.763 763 HB2 MET 97 1HB MET 97 -5.340 -15.869 5.386 764 HB3 MET 97 2HB MET 97 -6.582 -17.116 5.540 765 HG2 MET 97 1HG MET 97 -6.195 -17.745 3.150 766 HG3 MET 97 2HG MET 97 -4.857 -16.589 3.097 767 HE1 MET 97 1HE MET 97 -3.234 -18.450 2.220 768 HE2 MET 97 2HE MET 97 -3.012 -20.028 3.006 769 HE3 MET 97 3HE MET 97 -4.570 -19.623 2.254 770 H ASP 98 H ASP 98 -9.334 -16.195 5.452 771 HA ASP 98 HA ASP 98 -9.707 -13.857 7.176 772 HB2 ASP 98 1HB ASP 98 -11.523 -15.021 5.848 773 HB3 ASP 98 2HB ASP 98 -11.398 -16.371 6.974 774 H ALA 99 H ALA 99 -7.361 -15.486 7.770 775 HA ALA 99 HA ALA 99 -7.847 -17.199 10.046 776 HB1 ALA 99 1HB ALA 99 -5.386 -17.280 10.161 777 HB2 ALA 99 2HB ALA 99 -5.962 -17.534 8.502 778 HB3 ALA 99 3HB ALA 99 -5.277 -15.961 8.975 779 H LYS 100 H LYS 100 -7.551 -16.847 12.215 780 HA LYS 100 HA LYS 100 -7.762 -14.097 13.228 781 HB2 LYS 100 1HB LYS 100 -7.665 -16.781 14.666 782 HB3 LYS 100 2HB LYS 100 -7.902 -15.215 15.452 783 HG2 LYS 100 1HG LYS 100 -9.934 -14.837 14.022 784 HG3 LYS 100 2HG LYS 100 -9.774 -16.481 13.400 785 HD2 LYS 100 1HD LYS 100 -10.188 -15.683 16.315 786 HD3 LYS 100 2HD LYS 100 -11.443 -16.286 15.243 787 HE2 LYS 100 1HE LYS 100 -8.966 -17.869 16.079 788 HE3 LYS 100 2HE LYS 100 -10.537 -17.971 16.870 789 HZ1 LYS 100 1HZ LYS 100 -10.037 -18.686 14.029 790 HZ2 LYS 100 2HZ LYS 100 -11.493 -18.749 14.771 791 HZ3 LYS 100 3HZ LYS 100 -10.290 -19.738 15.247 792 H LEU 101 H LEU 101 -6.321 -12.947 14.365 793 HA LEU 101 HA LEU 101 -3.480 -13.666 14.298 794 HB2 LEU 101 1HB LEU 101 -4.287 -11.385 13.778 795 HB3 LEU 101 2HB LEU 101 -4.962 -11.251 15.400 796 HG LEU 101 HG LEU 101 -2.668 -11.361 16.368 797 HD11 LEU 101 1HD1 LEU 101 -0.713 -11.070 14.868 798 HD12 LEU 101 2HD1 LEU 101 -1.761 -11.299 13.451 799 HD13 LEU 101 3HD1 LEU 101 -1.485 -12.631 14.593 800 HD21 LEU 101 1HD2 LEU 101 -3.021 -9.246 14.207 801 HD22 LEU 101 2HD2 LEU 101 -1.957 -9.135 15.628 802 HD23 LEU 101 3HD2 LEU 101 -3.714 -9.195 15.844 803 H GLU 102 H GLU 102 -2.129 -13.896 16.134 804 HA GLU 102 HA GLU 102 -3.279 -14.028 18.831 805 HB2 GLU 102 1HB GLU 102 -2.489 -16.255 19.315 806 HB3 GLU 102 2HB GLU 102 -3.653 -16.299 17.991 807 HG2 GLU 102 1HG GLU 102 -1.806 -16.550 16.357 808 HG3 GLU 102 2HG GLU 102 -0.619 -16.412 17.658 809 H ALA 103 H ALA 103 -1.588 -14.301 20.507 810 HA ALA 103 HA ALA 103 1.164 -13.551 19.770 811 HB1 ALA 103 1HB ALA 103 1.110 -11.531 21.196 812 HB2 ALA 103 2HB ALA 103 -0.050 -11.394 19.863 813 HB3 ALA 103 3HB ALA 103 -0.623 -11.780 21.502 814 H LEU 104 H LEU 104 2.630 -13.565 21.624 815 HA LEU 104 HA LEU 104 2.190 -15.893 23.280 816 HB2 LEU 104 1HB LEU 104 4.435 -13.834 23.302 817 HB3 LEU 104 2HB LEU 104 4.477 -15.397 24.112 818 HG LEU 104 HG LEU 104 4.332 -14.985 21.091 819 HD11 LEU 104 1HD1 LEU 104 6.500 -14.353 22.082 820 HD12 LEU 104 2HD1 LEU 104 6.636 -15.825 21.107 821 HD13 LEU 104 3HD1 LEU 104 6.605 -15.937 22.882 822 HD21 LEU 104 1HD2 LEU 104 4.627 -17.538 22.738 823 HD22 LEU 104 2HD2 LEU 104 4.823 -17.421 20.974 824 HD23 LEU 104 3HD2 LEU 104 3.246 -17.103 21.703 825 H LYS 105 H LYS 105 1.442 -12.630 23.838 826 HA LYS 105 HA LYS 105 0.594 -13.149 26.586 827 HB2 LYS 105 1HB LYS 105 1.829 -11.281 27.604 828 HB3 LYS 105 2HB LYS 105 2.863 -12.564 27.030 829 HG2 LYS 105 1HG LYS 105 4.037 -10.657 26.494 830 HG3 LYS 105 2HG LYS 105 3.339 -11.121 24.948 831 HD2 LYS 105 1HD LYS 105 1.610 -9.365 25.194 832 HD3 LYS 105 2HD LYS 105 2.206 -9.000 26.828 833 HE2 LYS 105 1HE LYS 105 4.393 -8.338 25.865 834 HE3 LYS 105 2HE LYS 105 3.790 -8.695 24.240 835 HZ1 LYS 105 1HZ LYS 105 2.106 -6.964 24.560 836 HZ2 LYS 105 2HZ LYS 105 3.594 -6.324 24.788 837 HZ3 LYS 105 3HZ LYS 105 2.639 -6.655 26.077 838 H ASP 106 H ASP 106 -0.655 -11.405 27.526 839 HA ASP 106 HA ASP 106 -2.521 -10.255 25.585 840 HB2 ASP 106 1HB ASP 106 -2.392 -10.015 28.613 841 HB3 ASP 106 2HB ASP 106 -3.719 -9.456 27.597 842 H LEU 107 H LEU 107 -3.153 -8.010 25.518 843 HA LEU 107 HA LEU 107 -0.931 -6.190 25.370 844 HB2 LEU 107 1HB LEU 107 -2.604 -4.558 24.608 845 HB3 LEU 107 2HB LEU 107 -2.624 -6.081 23.746 846 HG LEU 107 HG LEU 107 -4.675 -6.775 24.976 847 HD11 LEU 107 1HD1 LEU 107 -6.014 -4.981 26.121 848 HD12 LEU 107 2HD1 LEU 107 -4.561 -3.960 26.140 849 HD13 LEU 107 3HD1 LEU 107 -4.607 -5.498 27.037 850 HD21 LEU 107 1HD2 LEU 107 -4.777 -5.667 22.775 851 HD22 LEU 107 2HD2 LEU 107 -4.864 -4.080 23.572 852 HD23 LEU 107 3HD2 LEU 107 -6.180 -5.260 23.773 853 H ALA 108 H ALA 108 -2.409 -7.111 28.142 854 HA ALA 108 HA ALA 108 -2.771 -4.586 29.497 855 HB1 ALA 108 1HB ALA 108 -2.682 -7.439 30.560 856 HB2 ALA 108 2HB ALA 108 -3.331 -6.018 31.406 857 HB3 ALA 108 3HB ALA 108 -4.127 -6.605 29.938 858 H SER 109 H SER 109 0.033 -5.211 28.450 859 HA SER 109 HA SER 109 1.814 -5.877 30.508 860 HB2 SER 109 1HB SER 109 2.364 -4.149 28.070 861 HB3 SER 109 2HB SER 109 3.554 -5.079 28.998 862 HG SER 109 HG SER 109 2.388 -6.982 28.422 863 H LEU 110 H LEU 110 0.059 -3.045 30.573 864 HA LEU 110 HA LEU 110 2.009 -1.235 31.767 865 HB2 LEU 110 1HB LEU 110 -1.032 -1.307 31.928 866 HB3 LEU 110 2HB LEU 110 -0.011 0.033 32.438 867 HG LEU 110 HG LEU 110 -0.312 -0.962 29.568 868 HD11 LEU 110 1HD1 LEU 110 -1.324 1.564 30.936 869 HD12 LEU 110 2HD1 LEU 110 -2.317 0.172 30.450 870 HD13 LEU 110 3HD1 LEU 110 -1.508 1.151 29.216 871 HD21 LEU 110 1HD2 LEU 110 1.920 0.014 29.886 872 HD22 LEU 110 2HD2 LEU 110 1.208 1.435 30.690 873 HD23 LEU 110 3HD2 LEU 110 0.901 1.124 28.966 874 H SER 111 H SER 111 0.437 -4.081 32.933 875 HA SER 111 HA SER 111 0.245 -3.446 35.728 876 HB2 SER 111 1HB SER 111 -0.001 -5.836 36.044 877 HB3 SER 111 2HB SER 111 -0.958 -5.307 34.653 878 HG SER 111 HG SER 111 0.203 -7.219 34.193 879 H ARG 112 H ARG 112 1.503 -4.360 37.463 880 HA ARG 112 HA ARG 112 4.313 -5.103 37.013 881 HB2 ARG 112 1HB ARG 112 4.210 -2.582 36.955 882 HB3 ARG 112 2HB ARG 112 3.599 -2.601 38.610 883 HG2 ARG 112 1HG ARG 112 5.686 -3.641 39.398 884 HG3 ARG 112 2HG ARG 112 6.290 -3.771 37.740 885 HD2 ARG 112 1HD ARG 112 5.614 -1.160 39.161 886 HD3 ARG 112 2HD ARG 112 7.239 -1.862 39.059 887 HE ARG 112 HE ARG 112 6.316 -1.688 36.414 888 HH11 ARG 112 1HH1 ARG 112 7.086 0.610 38.944 889 HH12 ARG 112 2HH1 ARG 112 7.493 1.866 37.806 890 HH21 ARG 112 1HH2 ARG 112 6.843 -0.041 35.017 891 HH22 ARG 112 2HH2 ARG 112 7.360 1.497 35.641 892 H ASP 113 H ASP 113 5.263 -6.109 38.759 893 HA ASP 113 HA ASP 113 3.551 -7.524 40.598 894 HB2 ASP 113 1HB ASP 113 6.577 -7.297 40.506 895 HB3 ASP 113 2HB ASP 113 5.671 -8.422 41.510 Start of MODEL 11 1 H1 GLY 0 1H GLY 0 -1.541 -15.941 -20.718 2 H2 GLY 0 2H GLY 0 -0.854 -14.675 -19.940 3 H3 GLY 0 3H GLY 0 -0.989 -14.659 -21.583 4 HA2 GLY 0 1HA GLY 0 -3.415 -14.630 -21.392 5 HA3 GLY 0 2HA GLY 0 -3.203 -14.556 -19.633 6 H MET 1 H MET 1 -1.889 -12.676 -18.803 7 HA MET 1 HA MET 1 -2.832 -10.183 -20.015 8 HB2 MET 1 1HB MET 1 -1.959 -9.108 -18.066 9 HB3 MET 1 2HB MET 1 -2.815 -10.560 -17.571 10 HG2 MET 1 1HG MET 1 -0.672 -11.725 -17.222 11 HG3 MET 1 2HG MET 1 0.210 -10.343 -17.860 12 HE1 MET 1 1HE MET 1 -1.918 -10.449 -13.737 13 HE2 MET 1 2HE MET 1 -2.816 -10.613 -15.259 14 HE3 MET 1 3HE MET 1 -1.665 -11.871 -14.770 15 HA PRO 2 HA PRO 2 0.794 -8.930 -22.282 16 HB2 PRO 2 1HB PRO 2 0.806 -6.369 -20.684 17 HB3 PRO 2 2HB PRO 2 0.918 -6.593 -22.459 18 HG2 PRO 2 1HG PRO 2 -1.427 -5.840 -21.350 19 HG3 PRO 2 2HG PRO 2 -1.413 -7.115 -22.615 20 HD2 PRO 2 1HD PRO 2 -1.524 -7.459 -19.605 21 HD3 PRO 2 2HD PRO 2 -2.528 -8.237 -20.868 22 HA PRO 3 HA PRO 3 4.149 -10.166 -19.795 23 HB2 PRO 3 1HB PRO 3 6.402 -9.335 -21.164 24 HB3 PRO 3 2HB PRO 3 5.315 -10.647 -21.711 25 HG2 PRO 3 1HG PRO 3 5.269 -7.725 -22.540 26 HG3 PRO 3 2HG PRO 3 5.237 -9.176 -23.598 27 HD2 PRO 3 1HD PRO 3 2.952 -7.889 -22.937 28 HD3 PRO 3 2HD PRO 3 2.998 -9.677 -23.001 29 HA PRO 4 HA PRO 4 5.559 -6.816 -17.075 30 HB2 PRO 4 1HB PRO 4 7.518 -8.032 -15.689 31 HB3 PRO 4 2HB PRO 4 5.807 -8.521 -15.510 32 HG2 PRO 4 1HG PRO 4 7.899 -9.826 -17.284 33 HG3 PRO 4 2HG PRO 4 6.828 -10.604 -16.072 34 HD2 PRO 4 1HD PRO 4 6.175 -10.519 -18.711 35 HD3 PRO 4 2HD PRO 4 4.923 -10.348 -17.444 36 H ALA 5 H ALA 5 7.575 -5.460 -16.739 37 HA ALA 5 HA ALA 5 9.640 -5.758 -18.832 38 HB1 ALA 5 1HB ALA 5 7.743 -3.385 -18.851 39 HB2 ALA 5 2HB ALA 5 9.125 -3.655 -19.930 40 HB3 ALA 5 3HB ALA 5 7.715 -4.731 -20.027 41 H ASP 6 H ASP 6 11.340 -4.351 -18.785 42 HA ASP 6 HA ASP 6 13.085 -3.344 -17.753 43 HB2 ASP 6 1HB ASP 6 10.865 -1.370 -17.194 44 HB3 ASP 6 2HB ASP 6 12.592 -0.995 -17.129 45 H ILE 7 H ILE 7 11.926 -5.302 -16.091 46 HA ILE 7 HA ILE 7 11.554 -4.583 -13.427 47 HB ILE 7 HB ILE 7 12.793 -7.189 -14.353 48 HG12 ILE 7 1HG1 ILE 7 9.832 -6.504 -14.121 49 HG13 ILE 7 2HG1 ILE 7 10.711 -6.693 -15.640 50 HG21 ILE 7 1HG2 ILE 7 11.123 -6.525 -11.883 51 HG22 ILE 7 2HG2 ILE 7 11.737 -8.134 -12.312 52 HG23 ILE 7 3HG2 ILE 7 12.868 -6.871 -11.898 53 HD11 ILE 7 1HD1 ILE 7 10.063 -8.874 -13.644 54 HD12 ILE 7 2HD1 ILE 7 9.609 -8.746 -15.349 55 HD13 ILE 7 3HD1 ILE 7 11.293 -9.067 -14.922 56 H VAL 8 H VAL 8 12.791 -4.059 -11.751 57 HA VAL 8 HA VAL 8 15.763 -4.379 -11.876 58 HB VAL 8 HB VAL 8 15.920 -2.118 -10.784 59 HG11 VAL 8 1HG1 VAL 8 16.584 -2.541 -13.109 60 HG12 VAL 8 2HG1 VAL 8 14.924 -2.219 -13.646 61 HG13 VAL 8 3HG1 VAL 8 15.886 -0.921 -12.923 62 HG21 VAL 8 1HG2 VAL 8 13.089 -1.749 -11.852 63 HG22 VAL 8 2HG2 VAL 8 13.614 -1.663 -10.155 64 HG23 VAL 8 3HG2 VAL 8 14.162 -0.454 -11.321 65 H LYS 9 H LYS 9 16.716 -5.165 -10.165 66 HA LYS 9 HA LYS 9 15.345 -5.842 -7.693 67 HB2 LYS 9 1HB LYS 9 18.282 -5.779 -8.489 68 HB3 LYS 9 2HB LYS 9 17.731 -6.276 -6.884 69 HG2 LYS 9 1HG LYS 9 16.490 -8.135 -7.753 70 HG3 LYS 9 2HG LYS 9 16.717 -7.582 -9.417 71 HD2 LYS 9 1HD LYS 9 19.221 -7.873 -9.083 72 HD3 LYS 9 2HD LYS 9 18.885 -8.597 -7.511 73 HE2 LYS 9 1HE LYS 9 17.958 -9.652 -10.228 74 HE3 LYS 9 2HE LYS 9 19.335 -10.254 -9.303 75 HZ1 LYS 9 1HZ LYS 9 17.505 -11.677 -8.872 76 HZ2 LYS 9 2HZ LYS 9 16.468 -10.471 -8.566 77 HZ3 LYS 9 3HZ LYS 9 17.687 -10.806 -7.502 78 H VAL 10 H VAL 10 15.353 -4.886 -5.779 79 HA VAL 10 HA VAL 10 16.961 -2.446 -5.268 80 HB VAL 10 HB VAL 10 15.110 -1.157 -4.363 81 HG11 VAL 10 1HG1 VAL 10 14.147 -0.371 -6.403 82 HG12 VAL 10 2HG1 VAL 10 15.814 -0.856 -6.746 83 HG13 VAL 10 3HG1 VAL 10 14.466 -1.903 -7.238 84 HG21 VAL 10 1HG2 VAL 10 12.768 -1.703 -4.797 85 HG22 VAL 10 2HG2 VAL 10 13.239 -3.245 -5.536 86 HG23 VAL 10 3HG2 VAL 10 13.507 -2.954 -3.801 87 H ALA 11 H ALA 11 17.229 -1.877 -3.108 88 HA ALA 11 HA ALA 11 16.427 -3.923 -1.063 89 HB1 ALA 11 1HB ALA 11 18.932 -2.183 -1.123 90 HB2 ALA 11 2HB ALA 11 18.486 -3.360 0.133 91 HB3 ALA 11 3HB ALA 11 18.877 -3.915 -1.507 92 H ILE 12 H ILE 12 14.919 -3.121 0.303 93 HA ILE 12 HA ILE 12 14.562 -0.169 0.435 94 HB ILE 12 HB ILE 12 12.572 -2.361 1.028 95 HG12 ILE 12 1HG1 ILE 12 12.786 -0.567 -1.436 96 HG13 ILE 12 2HG1 ILE 12 13.312 -2.250 -1.399 97 HG21 ILE 12 1HG2 ILE 12 12.138 -0.194 2.238 98 HG22 ILE 12 2HG2 ILE 12 12.187 0.656 0.683 99 HG23 ILE 12 3HG2 ILE 12 10.914 -0.529 1.037 100 HD11 ILE 12 1HD1 ILE 12 11.146 -2.107 -2.413 101 HD12 ILE 12 2HD1 ILE 12 11.043 -2.998 -0.874 102 HD13 ILE 12 3HD1 ILE 12 10.475 -1.312 -0.989 103 H GLU 13 H GLU 13 15.096 0.873 2.145 104 HA GLU 13 HA GLU 13 15.694 -0.387 4.728 105 HB2 GLU 13 1HB GLU 13 15.847 2.454 3.664 106 HB3 GLU 13 2HB GLU 13 16.266 2.053 5.316 107 HG2 GLU 13 1HG GLU 13 17.623 0.724 2.928 108 HG3 GLU 13 2HG GLU 13 18.157 2.258 3.605 109 H TRP 14 H TRP 14 14.782 0.052 6.692 110 HA TRP 14 HA TRP 14 12.690 2.005 7.067 111 HB2 TRP 14 1HB TRP 14 11.312 0.188 6.257 112 HB3 TRP 14 2HB TRP 14 12.036 -0.940 7.401 113 HD1 TRP 14 HD TRP 14 10.934 -1.116 9.711 114 HE1 TRP 14 1HE TRP 14 9.043 0.075 10.969 115 HE3 TRP 14 3HE TRP 14 10.159 2.772 6.485 116 HZ2 TRP 14 2HZ TRP 14 7.407 2.436 10.623 117 HZ3 TRP 14 3HZ TRP 14 8.462 4.510 6.994 118 HH2 TRP 14 HH TRP 14 7.074 4.349 9.051 119 HA PRO 15 HA PRO 15 15.008 2.108 10.825 120 HB2 PRO 15 1HB PRO 15 12.492 3.058 12.195 121 HB3 PRO 15 2HB PRO 15 14.147 3.744 12.263 122 HG2 PRO 15 1HG PRO 15 12.289 4.904 10.685 123 HG3 PRO 15 2HG PRO 15 13.941 4.627 10.033 124 HD2 PRO 15 1HD PRO 15 11.467 2.917 9.671 125 HD3 PRO 15 2HD PRO 15 12.590 3.524 8.421 126 H GLY 16 H GLY 16 15.588 0.743 12.446 127 HA2 GLY 16 1HA GLY 16 15.528 -0.948 14.004 128 HA3 GLY 16 2HA GLY 16 13.772 -0.798 14.071 129 H ALA 17 H ALA 17 14.939 -1.452 10.880 130 HA ALA 17 HA ALA 17 14.601 -4.399 11.165 131 HB1 ALA 17 1HB ALA 17 13.210 -2.628 9.109 132 HB2 ALA 17 2HB ALA 17 13.129 -4.396 9.204 133 HB3 ALA 17 3HB ALA 17 12.429 -3.411 10.504 134 H TYR 18 H TYR 18 15.523 -5.670 9.519 135 HA TYR 18 HA TYR 18 17.899 -4.623 8.213 136 HB2 TYR 18 1HB TYR 18 16.495 -7.303 7.940 137 HB3 TYR 18 2HB TYR 18 18.076 -6.911 7.283 138 HD1 TYR 18 1HD TYR 18 19.943 -6.183 8.922 139 HD2 TYR 18 2HD TYR 18 16.308 -8.154 10.167 140 HE1 TYR 18 1HE TYR 18 21.036 -6.849 11.057 141 HE2 TYR 18 2HE TYR 18 17.407 -8.816 12.305 142 HH TYR 18 HH TYR 18 20.801 -7.936 13.059 143 HA PRO 19 HA PRO 19 16.096 -3.262 4.459 144 HB2 PRO 19 1HB PRO 19 18.291 -4.623 2.906 145 HB3 PRO 19 2HB PRO 19 17.730 -2.924 2.825 146 HG2 PRO 19 1HG PRO 19 20.007 -3.565 4.160 147 HG3 PRO 19 2HG PRO 19 18.855 -2.380 4.855 148 HD2 PRO 19 1HD PRO 19 19.154 -5.318 5.531 149 HD3 PRO 19 2HD PRO 19 19.003 -3.908 6.622 150 H LYS 20 H LYS 20 14.429 -3.937 3.216 151 HA LYS 20 HA LYS 20 13.970 -6.825 2.705 152 HB2 LYS 20 1HB LYS 20 12.114 -5.524 3.514 153 HB3 LYS 20 2HB LYS 20 12.260 -4.361 2.190 154 HG2 LYS 20 1HG LYS 20 11.591 -6.040 0.557 155 HG3 LYS 20 2HG LYS 20 11.689 -7.326 1.782 156 HD2 LYS 20 1HD LYS 20 9.820 -6.289 3.038 157 HD3 LYS 20 2HD LYS 20 9.772 -4.957 1.884 158 HE2 LYS 20 1HE LYS 20 7.978 -6.484 1.376 159 HE3 LYS 20 2HE LYS 20 9.159 -6.525 0.063 160 HZ1 LYS 20 1HZ LYS 20 8.395 -8.752 0.725 161 HZ2 LYS 20 2HZ LYS 20 8.969 -8.551 2.237 162 HZ3 LYS 20 3HZ LYS 20 10.003 -8.620 0.970 163 H LEU 21 H LEU 21 15.083 -7.674 1.085 164 HA LEU 21 HA LEU 21 15.678 -6.250 -1.413 165 HB2 LEU 21 1HB LEU 21 15.959 -9.150 -0.541 166 HB3 LEU 21 2HB LEU 21 16.410 -8.577 -2.142 167 HG LEU 21 HG LEU 21 17.630 -7.435 0.410 168 HD11 LEU 21 1HD1 LEU 21 18.134 -9.840 0.264 169 HD12 LEU 21 2HD1 LEU 21 19.576 -8.866 -0.064 170 HD13 LEU 21 3HD1 LEU 21 18.700 -9.632 -1.409 171 HD21 LEU 21 1HD2 LEU 21 17.838 -6.015 -1.629 172 HD22 LEU 21 2HD2 LEU 21 18.558 -7.381 -2.500 173 HD23 LEU 21 3HD2 LEU 21 19.401 -6.659 -1.112 174 H MET 22 H MET 22 14.444 -6.166 -3.190 175 HA MET 22 HA MET 22 12.463 -8.238 -3.797 176 HB2 MET 22 1HB MET 22 10.527 -6.900 -3.797 177 HB3 MET 22 2HB MET 22 11.256 -6.627 -2.232 178 HG2 MET 22 1HG MET 22 11.739 -4.439 -2.654 179 HG3 MET 22 2HG MET 22 12.025 -4.691 -4.363 180 HE1 MET 22 1HE MET 22 9.299 -4.582 -1.651 181 HE2 MET 22 2HE MET 22 7.794 -4.311 -2.570 182 HE3 MET 22 3HE MET 22 8.606 -5.891 -2.633 183 H GLU 23 H GLU 23 11.169 -7.427 -5.886 184 HA GLU 23 HA GLU 23 12.993 -5.947 -7.732 185 HB2 GLU 23 1HB GLU 23 11.479 -8.525 -8.202 186 HB3 GLU 23 2HB GLU 23 11.953 -7.453 -9.530 187 HG2 GLU 23 1HG GLU 23 14.281 -7.645 -9.009 188 HG3 GLU 23 2HG GLU 23 13.952 -8.475 -7.486 189 H ILE 24 H ILE 24 12.136 -4.217 -8.581 190 HA ILE 24 HA ILE 24 9.209 -3.705 -8.469 191 HB ILE 24 HB ILE 24 11.614 -1.965 -9.080 192 HG12 ILE 24 1HG1 ILE 24 9.471 -1.912 -6.907 193 HG13 ILE 24 2HG1 ILE 24 11.127 -2.470 -6.707 194 HG21 ILE 24 1HG2 ILE 24 8.680 -1.156 -9.292 195 HG22 ILE 24 2HG2 ILE 24 10.076 -0.066 -9.423 196 HG23 ILE 24 3HG2 ILE 24 9.821 -1.284 -10.649 197 HD11 ILE 24 1HD1 ILE 24 10.231 0.389 -7.216 198 HD12 ILE 24 2HD1 ILE 24 10.986 -0.280 -5.767 199 HD13 ILE 24 3HD1 ILE 24 11.929 -0.150 -7.267 200 H ASP 25 H ASP 25 8.096 -4.602 -10.039 201 HA ASP 25 HA ASP 25 9.074 -4.810 -12.833 202 HB2 ASP 25 1HB ASP 25 7.681 -6.624 -11.922 203 HB3 ASP 25 2HB ASP 25 6.431 -5.477 -11.475 204 H GLN 26 H GLN 26 8.832 -3.089 -14.230 205 HA GLN 26 HA GLN 26 7.512 -0.693 -13.271 206 HB2 GLN 26 1HB GLN 26 8.665 -1.226 -16.002 207 HB3 GLN 26 2HB GLN 26 8.222 0.344 -15.343 208 HG2 GLN 26 1HG GLN 26 10.415 -1.449 -14.187 209 HG3 GLN 26 2HG GLN 26 10.668 -0.132 -15.316 210 HE21 GLN 26 1HE2 GLN 26 12.177 0.683 -13.680 211 HE22 GLN 26 2HE2 GLN 26 11.500 1.729 -12.437 212 H LYS 27 H LYS 27 6.246 -3.455 -14.822 213 HA LYS 27 HA LYS 27 3.854 -2.020 -15.845 214 HB2 LYS 27 1HB LYS 27 4.526 -4.985 -15.678 215 HB3 LYS 27 2HB LYS 27 3.050 -4.331 -16.377 216 HG2 LYS 27 1HG LYS 27 5.828 -3.715 -17.429 217 HG3 LYS 27 2HG LYS 27 4.749 -4.975 -18.025 218 HD2 LYS 27 1HD LYS 27 2.998 -3.173 -18.482 219 HD3 LYS 27 2HD LYS 27 4.245 -1.977 -18.084 220 HE2 LYS 27 1HE LYS 27 4.309 -2.190 -20.433 221 HE3 LYS 27 2HE LYS 27 5.725 -3.052 -19.807 222 HZ1 LYS 27 1HZ LYS 27 4.619 -4.343 -21.523 223 HZ2 LYS 27 2HZ LYS 27 3.200 -4.318 -20.737 224 HZ3 LYS 27 3HZ LYS 27 4.468 -5.154 -20.112 225 H LYS 28 H LYS 28 4.816 -3.244 -12.763 226 HA LYS 28 HA LYS 28 1.991 -3.564 -11.864 227 HB2 LYS 28 1HB LYS 28 4.667 -4.068 -10.530 228 HB3 LYS 28 2HB LYS 28 3.167 -3.889 -9.591 229 HG2 LYS 28 1HG LYS 28 2.114 -5.721 -10.838 230 HG3 LYS 28 2HG LYS 28 3.556 -5.892 -11.846 231 HD2 LYS 28 1HD LYS 28 3.628 -7.622 -10.199 232 HD3 LYS 28 2HD LYS 28 4.885 -6.449 -9.778 233 HE2 LYS 28 1HE LYS 28 3.414 -5.463 -8.052 234 HE3 LYS 28 2HE LYS 28 2.100 -6.548 -8.528 235 HZ1 LYS 28 1HZ LYS 28 4.705 -7.433 -7.395 236 HZ2 LYS 28 2HZ LYS 28 3.487 -8.429 -7.838 237 HZ3 LYS 28 3HZ LYS 28 3.284 -7.402 -6.588 238 HA PRO 29 HA PRO 29 1.863 0.729 -10.559 239 HB2 PRO 29 1HB PRO 29 -0.197 0.641 -8.738 240 HB3 PRO 29 2HB PRO 29 -0.448 0.532 -10.499 241 HG2 PRO 29 1HG PRO 29 -0.364 -1.703 -8.494 242 HG3 PRO 29 2HG PRO 29 -1.495 -1.484 -9.859 243 HD2 PRO 29 1HD PRO 29 0.696 -3.142 -9.935 244 HD3 PRO 29 2HD PRO 29 0.066 -2.327 -11.390 245 H LEU 30 H LEU 30 2.742 1.994 -8.964 246 HA LEU 30 HA LEU 30 4.436 0.782 -7.000 247 HB2 LEU 30 1HB LEU 30 3.333 3.597 -7.315 248 HB3 LEU 30 2HB LEU 30 4.511 3.178 -6.075 249 HG LEU 30 HG LEU 30 5.072 2.645 -9.017 250 HD11 LEU 30 1HD1 LEU 30 5.666 5.149 -7.404 251 HD12 LEU 30 2HD1 LEU 30 4.549 4.999 -8.783 252 HD13 LEU 30 3HD1 LEU 30 6.289 4.780 -9.031 253 HD21 LEU 30 1HD2 LEU 30 7.418 2.752 -8.286 254 HD22 LEU 30 2HD2 LEU 30 6.554 1.507 -7.376 255 HD23 LEU 30 3HD2 LEU 30 6.905 3.076 -6.616 256 H SER 31 H SER 31 1.071 1.993 -6.705 257 HA SER 31 HA SER 31 0.809 1.864 -3.908 258 HB2 SER 31 1HB SER 31 -1.291 1.098 -5.975 259 HB3 SER 31 2HB SER 31 -1.582 1.617 -4.304 260 HG SER 31 HG SER 31 -1.831 3.349 -5.780 261 H ALA 32 H ALA 32 0.430 -0.827 -6.282 262 HA ALA 32 HA ALA 32 -0.236 -2.810 -4.264 263 HB1 ALA 32 1HB ALA 32 0.826 -3.131 -7.108 264 HB2 ALA 32 2HB ALA 32 0.102 -4.405 -6.106 265 HB3 ALA 32 3HB ALA 32 -0.892 -3.036 -6.635 266 H ILE 33 H ILE 33 2.804 -1.789 -5.858 267 HA ILE 33 HA ILE 33 4.511 -3.766 -4.643 268 HB ILE 33 HB ILE 33 5.079 -0.976 -5.717 269 HG12 ILE 33 1HG1 ILE 33 5.645 -3.716 -6.935 270 HG13 ILE 33 2HG1 ILE 33 4.214 -2.775 -7.317 271 HG21 ILE 33 1HG2 ILE 33 6.854 -1.590 -4.103 272 HG22 ILE 33 2HG2 ILE 33 7.071 -3.145 -4.933 273 HG23 ILE 33 3HG2 ILE 33 7.469 -1.611 -5.741 274 HD11 ILE 33 1HD1 ILE 33 5.650 -0.932 -8.186 275 HD12 ILE 33 2HD1 ILE 33 7.073 -1.970 -7.915 276 HD13 ILE 33 3HD1 ILE 33 5.826 -2.463 -9.067 277 H ILE 34 H ILE 34 3.688 -0.421 -3.580 278 HA ILE 34 HA ILE 34 5.198 -0.475 -1.162 279 HB ILE 34 HB ILE 34 2.791 1.128 -2.070 280 HG12 ILE 34 1HG1 ILE 34 5.647 2.084 -1.596 281 HG13 ILE 34 2HG1 ILE 34 5.200 1.339 -3.122 282 HG21 ILE 34 1HG2 ILE 34 2.714 1.130 0.389 283 HG22 ILE 34 2HG2 ILE 34 4.439 1.546 0.466 284 HG23 ILE 34 3HG2 ILE 34 3.250 2.693 -0.192 285 HD11 ILE 34 1HD1 ILE 34 3.920 3.850 -1.986 286 HD12 ILE 34 2HD1 ILE 34 5.083 3.756 -3.322 287 HD13 ILE 34 3HD1 ILE 34 3.462 3.058 -3.500 288 H LYS 35 H LYS 35 1.834 -1.574 -1.807 289 HA LYS 35 HA LYS 35 1.237 -2.334 0.890 290 HB2 LYS 35 1HB LYS 35 -0.378 -2.139 -1.044 291 HB3 LYS 35 2HB LYS 35 0.223 -3.682 -1.642 292 HG2 LYS 35 1HG LYS 35 -0.433 -4.751 0.529 293 HG3 LYS 35 2HG LYS 35 -1.056 -3.185 1.080 294 HD2 LYS 35 1HD LYS 35 -2.648 -3.187 -0.865 295 HD3 LYS 35 2HD LYS 35 -2.042 -4.794 -1.321 296 HE2 LYS 35 1HE LYS 35 -2.712 -5.656 0.929 297 HE3 LYS 35 2HE LYS 35 -3.349 -4.059 1.342 298 HZ1 LYS 35 1HZ LYS 35 -5.107 -5.537 0.551 299 HZ2 LYS 35 2HZ LYS 35 -4.348 -5.776 -0.873 300 HZ3 LYS 35 3HZ LYS 35 -4.940 -4.299 -0.498 301 H GLU 36 H GLU 36 2.957 -4.134 -1.704 302 HA GLU 36 HA GLU 36 3.399 -6.499 -0.098 303 HB2 GLU 36 1HB GLU 36 4.519 -5.364 -2.687 304 HB3 GLU 36 2HB GLU 36 5.196 -6.787 -1.967 305 HG2 GLU 36 1HG GLU 36 2.294 -6.424 -2.815 306 HG3 GLU 36 2HG GLU 36 3.527 -7.299 -3.715 307 H VAL 37 H VAL 37 5.163 -3.407 -0.368 308 HA VAL 37 HA VAL 37 7.460 -4.310 1.173 309 HB VAL 37 HB VAL 37 6.396 -1.463 1.026 310 HG11 VAL 37 1HG1 VAL 37 8.038 -1.955 2.868 311 HG12 VAL 37 2HG1 VAL 37 9.185 -2.531 1.656 312 HG13 VAL 37 3HG1 VAL 37 8.660 -0.834 1.654 313 HG21 VAL 37 1HG2 VAL 37 8.082 -1.042 -0.679 314 HG22 VAL 37 2HG2 VAL 37 8.559 -2.755 -0.665 315 HG23 VAL 37 3HG2 VAL 37 6.967 -2.268 -1.253 316 H CYS 38 H CYS 38 4.535 -2.417 2.127 317 HA CYS 38 HA CYS 38 5.321 -2.191 4.833 318 HB2 CYS 38 1HB CYS 38 3.197 -1.132 5.157 319 HB3 CYS 38 2HB CYS 38 3.738 -0.731 3.545 320 HG CYS 38 HG CYS 38 1.440 -2.779 4.686 321 H ASP 39 H ASP 39 3.281 -4.693 3.309 322 HA ASP 39 HA ASP 39 2.454 -6.045 5.656 323 HB2 ASP 39 1HB ASP 39 1.610 -6.394 3.328 324 HB3 ASP 39 2HB ASP 39 3.127 -7.198 2.918 325 H GLY 40 H GLY 40 5.614 -6.046 4.071 326 HA2 GLY 40 1HA GLY 40 6.738 -8.415 5.266 327 HA3 GLY 40 2HA GLY 40 7.615 -7.033 4.593 328 H TRP 41 H TRP 41 6.199 -5.162 6.504 329 HA TRP 41 HA TRP 41 7.520 -5.873 9.085 330 HB2 TRP 41 1HB TRP 41 7.220 -3.164 7.755 331 HB3 TRP 41 2HB TRP 41 7.938 -3.457 9.330 332 HD1 TRP 41 HD TRP 41 9.927 -5.719 8.872 333 HE1 TRP 41 1HE TRP 41 11.977 -5.505 7.343 334 HE3 TRP 41 3HE TRP 41 8.360 -1.814 5.937 335 HZ2 TRP 41 2HZ TRP 41 12.839 -3.854 5.159 336 HZ3 TRP 41 3HZ TRP 41 9.843 -0.939 4.141 337 HH2 TRP 41 HH TRP 41 12.055 -1.954 3.736 338 H SER 42 H SER 42 4.627 -6.110 7.964 339 HA SER 42 HA SER 42 2.491 -5.889 8.635 340 HB2 SER 42 1HB SER 42 3.651 -5.736 11.431 341 HB3 SER 42 2HB SER 42 2.000 -6.204 10.999 342 HG SER 42 HG SER 42 2.797 -8.035 9.970 343 H LEU 43 H LEU 43 3.681 -3.366 7.862 344 HA LEU 43 HA LEU 43 2.611 -1.299 9.670 345 HB2 LEU 43 1HB LEU 43 4.025 -1.285 7.002 346 HB3 LEU 43 2HB LEU 43 3.461 0.200 7.760 347 HG LEU 43 HG LEU 43 5.427 -1.758 9.048 348 HD11 LEU 43 1HD1 LEU 43 7.201 -0.282 8.330 349 HD12 LEU 43 2HD1 LEU 43 6.039 0.804 7.533 350 HD13 LEU 43 3HD1 LEU 43 6.304 -0.845 6.921 351 HD21 LEU 43 1HD2 LEU 43 4.325 -0.249 10.669 352 HD22 LEU 43 2HD2 LEU 43 4.776 1.156 9.674 353 HD23 LEU 43 3HD2 LEU 43 6.029 0.173 10.462 354 H ALA 44 H ALA 44 0.659 -0.413 9.538 355 HA ALA 44 HA ALA 44 -1.312 -1.443 7.655 356 HB1 ALA 44 1HB ALA 44 -2.890 -0.234 9.106 357 HB2 ALA 44 2HB ALA 44 -1.766 -1.202 10.073 358 HB3 ALA 44 3HB ALA 44 -1.539 0.559 9.943 359 H ASN 45 H ASN 45 -2.897 -0.013 6.643 360 HA ASN 45 HA ASN 45 -3.526 1.532 5.104 361 HB2 ASN 45 1HB ASN 45 -2.206 3.432 7.066 362 HB3 ASN 45 2HB ASN 45 -3.461 3.841 5.904 363 HD21 ASN 45 1HD2 ASN 45 -3.116 3.455 9.090 364 HD22 ASN 45 2HD2 ASN 45 -4.682 2.756 9.474 365 H HIS 46 H HIS 46 -1.812 0.440 3.654 366 HA HIS 46 HA HIS 46 0.644 1.710 3.047 367 HB2 HIS 46 1HB HIS 46 0.715 0.254 1.177 368 HB3 HIS 46 2HB HIS 46 -0.127 -0.622 2.451 369 HD2 HIS 46 2HD HIS 46 -0.655 0.982 -0.953 370 HE1 HIS 46 1HE HIS 46 -4.324 -0.979 -0.023 371 HE2 HIS 46 2HE HIS 46 -3.056 0.280 -1.828 372 H GLU 47 H GLU 47 -2.577 2.656 2.117 373 HA GLU 47 HA GLU 47 -2.122 4.307 -0.147 374 HB2 GLU 47 1HB GLU 47 -3.964 4.792 2.234 375 HB3 GLU 47 2HB GLU 47 -4.123 5.541 0.654 376 HG2 GLU 47 1HG GLU 47 -4.475 2.581 1.290 377 HG3 GLU 47 2HG GLU 47 -5.756 3.754 1.038 378 H TYR 48 H TYR 48 -1.229 4.837 3.235 379 HA TYR 48 HA TYR 48 -0.720 7.705 2.911 380 HB2 TYR 48 1HB TYR 48 0.175 5.788 5.091 381 HB3 TYR 48 2HB TYR 48 0.209 7.535 5.172 382 HD1 TYR 48 1HD TYR 48 -2.947 7.108 3.741 383 HD2 TYR 48 2HD TYR 48 -0.781 6.307 7.393 384 HE1 TYR 48 1HE TYR 48 -5.079 6.982 4.974 385 HE2 TYR 48 2HE TYR 48 -2.919 6.269 8.646 386 HH TYR 48 HH TYR 48 -6.094 6.731 7.022 387 H PHE 49 H PHE 49 1.038 4.819 2.174 388 HA PHE 49 HA PHE 49 3.676 5.974 2.795 389 HB2 PHE 49 1HB PHE 49 2.668 3.199 2.214 390 HB3 PHE 49 2HB PHE 49 4.374 3.585 2.081 391 HD1 PHE 49 1HD PHE 49 1.525 3.434 4.489 392 HD2 PHE 49 2HD PHE 49 5.772 3.988 3.984 393 HE1 PHE 49 1HE PHE 49 1.842 3.235 6.936 394 HE2 PHE 49 2HE PHE 49 6.082 3.784 6.438 395 HZ PHE 49 HZ PHE 49 4.122 3.400 7.918 396 H ALA 50 H ALA 50 5.418 5.864 1.466 397 HA ALA 50 HA ALA 50 5.175 5.596 -1.454 398 HB1 ALA 50 1HB ALA 50 6.295 7.787 -1.773 399 HB2 ALA 50 2HB ALA 50 4.706 7.984 -1.014 400 HB3 ALA 50 3HB ALA 50 6.183 8.106 -0.029 401 H LEU 51 H LEU 51 7.231 5.282 -2.444 402 HA LEU 51 HA LEU 51 9.430 4.421 -0.629 403 HB2 LEU 51 1HB LEU 51 8.750 3.954 -3.542 404 HB3 LEU 51 2HB LEU 51 10.396 3.719 -2.958 405 HG LEU 51 HG LEU 51 7.992 2.328 -1.706 406 HD11 LEU 51 1HD1 LEU 51 8.176 1.656 -4.065 407 HD12 LEU 51 2HD1 LEU 51 8.653 0.333 -2.990 408 HD13 LEU 51 3HD1 LEU 51 9.898 1.279 -3.837 409 HD21 LEU 51 1HD2 LEU 51 10.043 2.416 -0.282 410 HD22 LEU 51 2HD2 LEU 51 10.973 1.679 -1.606 411 HD23 LEU 51 3HD2 LEU 51 9.660 0.785 -0.808 412 H GLN 52 H GLN 52 11.454 5.356 -0.779 413 HA GLN 52 HA GLN 52 11.766 7.848 -2.370 414 HB2 GLN 52 1HB GLN 52 10.835 8.302 -0.079 415 HB3 GLN 52 2HB GLN 52 12.302 7.599 0.619 416 HG2 GLN 52 1HG GLN 52 13.644 9.409 -0.447 417 HG3 GLN 52 2HG GLN 52 12.175 10.024 -1.220 418 HE21 GLN 52 1HE2 GLN 52 12.435 12.117 -0.180 419 HE22 GLN 52 2HE2 GLN 52 12.048 12.261 1.529 420 H HIS 53 H HIS 53 13.900 8.377 -2.870 421 HA HIS 53 HA HIS 53 15.749 6.163 -3.117 422 HB2 HIS 53 1HB HIS 53 15.785 9.075 -3.800 423 HB3 HIS 53 2HB HIS 53 17.336 8.248 -3.675 424 HD2 HIS 53 2HD HIS 53 14.370 8.608 -5.997 425 HE1 HIS 53 1HE HIS 53 16.903 5.667 -7.760 426 HE2 HIS 53 2HE HIS 53 14.886 7.175 -8.147 427 H ALA 54 H ALA 54 17.558 5.591 -2.081 428 HA ALA 54 HA ALA 54 18.550 7.227 0.208 429 HB1 ALA 54 1HB ALA 54 18.835 5.136 1.494 430 HB2 ALA 54 2HB ALA 54 17.133 5.437 1.088 431 HB3 ALA 54 3HB ALA 54 18.060 4.226 0.180 432 H ASP 55 H ASP 55 19.352 4.996 -2.457 433 HA ASP 55 HA ASP 55 22.222 5.102 -2.047 434 HB2 ASP 55 1HB ASP 55 20.912 3.404 -3.399 435 HB3 ASP 55 2HB ASP 55 20.665 4.642 -4.625 436 H SER 56 H SER 56 20.049 7.488 -2.929 437 HA SER 56 HA SER 56 22.104 9.366 -3.893 438 HB2 SER 56 1HB SER 56 21.083 8.275 -5.916 439 HB3 SER 56 2HB SER 56 19.505 8.904 -5.411 440 HG SER 56 HG SER 56 20.691 10.218 -6.967 441 H SER 57 H SER 57 20.541 11.552 -4.335 442 HA SER 57 HA SER 57 19.732 12.514 -1.777 443 HB2 SER 57 1HB SER 57 18.932 13.490 -4.540 444 HB3 SER 57 2HB SER 57 18.723 14.391 -3.027 445 HG SER 57 HG SER 57 20.650 14.986 -4.133 446 H ASN 58 H ASN 58 17.664 13.095 -1.009 447 HA ASN 58 HA ASN 58 15.891 10.864 -0.946 448 HB2 ASN 58 1HB ASN 58 15.795 13.593 0.391 449 HB3 ASN 58 2HB ASN 58 14.763 12.237 0.810 450 HD21 ASN 58 1HD2 ASN 58 17.710 13.713 1.591 451 HD22 ASN 58 2HD2 ASN 58 18.371 12.353 2.483 452 H PHE 59 H PHE 59 15.577 11.532 -3.575 453 HA PHE 59 HA PHE 59 13.099 12.989 -4.045 454 HB2 PHE 59 1HB PHE 59 14.311 10.839 -5.796 455 HB3 PHE 59 2HB PHE 59 13.228 12.129 -6.275 456 HD1 PHE 59 1HD PHE 59 14.240 14.618 -5.674 457 HD2 PHE 59 2HD PHE 59 16.527 11.036 -6.419 458 HE1 PHE 59 1HE PHE 59 16.196 16.003 -6.338 459 HE2 PHE 59 2HE PHE 59 18.475 12.423 -7.096 460 HZ PHE 59 HZ PHE 59 18.312 14.906 -7.058 461 H TYR 60 H TYR 60 11.010 12.247 -3.931 462 HA TYR 60 HA TYR 60 10.408 9.545 -2.976 463 HB2 TYR 60 1HB TYR 60 8.607 11.805 -3.903 464 HB3 TYR 60 2HB TYR 60 8.046 10.270 -3.259 465 HD1 TYR 60 1HD TYR 60 8.371 9.660 -0.886 466 HD2 TYR 60 2HD TYR 60 9.532 13.528 -2.413 467 HE1 TYR 60 1HE TYR 60 8.496 10.556 1.443 468 HE2 TYR 60 2HE TYR 60 9.693 14.399 -0.090 469 HH TYR 60 HH TYR 60 9.494 13.922 2.143 470 H ILE 61 H ILE 61 9.525 7.856 -4.123 471 HA ILE 61 HA ILE 61 9.901 7.833 -7.034 472 HB ILE 61 HB ILE 61 8.906 5.663 -5.169 473 HG12 ILE 61 1HG1 ILE 61 11.147 6.141 -4.478 474 HG13 ILE 61 2HG1 ILE 61 11.173 4.663 -5.414 475 HG21 ILE 61 1HG2 ILE 61 9.509 4.125 -7.027 476 HG22 ILE 61 2HG2 ILE 61 8.205 5.224 -7.453 477 HG23 ILE 61 3HG2 ILE 61 9.838 5.534 -8.065 478 HD11 ILE 61 1HD1 ILE 61 12.119 7.420 -6.312 479 HD12 ILE 61 2HD1 ILE 61 13.096 5.979 -5.989 480 HD13 ILE 61 3HD1 ILE 61 12.022 6.014 -7.396 481 H THR 62 H THR 62 8.363 8.031 -8.528 482 HA THR 62 HA THR 62 5.469 7.828 -7.842 483 HB THR 62 HB THR 62 4.925 9.862 -8.933 484 HG1 THR 62 1HG THR 62 6.636 11.205 -9.763 485 HG21 THR 62 1HG2 THR 62 5.943 11.605 -7.623 486 HG22 THR 62 2HG2 THR 62 7.355 10.595 -7.253 487 HG23 THR 62 3HG2 THR 62 5.756 10.179 -6.590 488 H GLU 63 H GLU 63 4.082 7.692 -9.793 489 HA GLU 63 HA GLU 63 5.049 5.864 -11.770 490 HB2 GLU 63 1HB GLU 63 2.614 7.679 -11.812 491 HB3 GLU 63 2HB GLU 63 2.880 6.330 -12.907 492 HG2 GLU 63 1HG GLU 63 2.529 6.119 -9.883 493 HG3 GLU 63 2HG GLU 63 1.293 5.806 -11.086 494 H LYS 64 H LYS 64 5.594 9.215 -11.562 495 HA LYS 64 HA LYS 64 6.095 9.591 -14.469 496 HB2 LYS 64 1HB LYS 64 6.163 11.542 -12.131 497 HB3 LYS 64 2HB LYS 64 6.470 11.953 -13.820 498 HG2 LYS 64 1HG LYS 64 4.174 11.251 -14.436 499 HG3 LYS 64 2HG LYS 64 3.850 10.801 -12.760 500 HD2 LYS 64 1HD LYS 64 2.852 12.940 -13.173 501 HD3 LYS 64 2HD LYS 64 4.200 13.154 -12.047 502 HE2 LYS 64 1HE LYS 64 5.636 13.946 -13.917 503 HE3 LYS 64 2HE LYS 64 4.310 13.679 -15.056 504 HZ1 LYS 64 1HZ LYS 64 3.026 15.365 -13.849 505 HZ2 LYS 64 2HZ LYS 64 4.435 16.004 -14.365 506 HZ3 LYS 64 3HZ LYS 64 4.250 15.607 -12.793 507 H ASN 65 H ASN 65 7.938 8.760 -11.639 508 HA ASN 65 HA ASN 65 10.446 9.307 -13.179 509 HB2 ASN 65 1HB ASN 65 11.532 10.262 -11.314 510 HB3 ASN 65 2HB ASN 65 9.994 11.091 -11.501 511 HD21 ASN 65 1HD2 ASN 65 10.410 11.796 -9.241 512 HD22 ASN 65 2HD2 ASN 65 10.037 10.668 -7.935 513 H ARG 66 H ARG 66 8.756 6.883 -11.513 514 HA ARG 66 HA ARG 66 10.699 5.275 -10.359 515 HB2 ARG 66 1HB ARG 66 9.163 3.410 -10.792 516 HB3 ARG 66 2HB ARG 66 8.310 4.844 -10.236 517 HG2 ARG 66 1HG ARG 66 7.672 5.378 -12.618 518 HG3 ARG 66 2HG ARG 66 8.481 3.898 -13.147 519 HD2 ARG 66 1HD ARG 66 6.136 4.045 -11.218 520 HD3 ARG 66 2HD ARG 66 6.036 3.641 -12.943 521 HE ARG 66 HE ARG 66 7.909 1.865 -11.845 522 HH11 ARG 66 1HH1 ARG 66 4.419 2.402 -11.701 523 HH12 ARG 66 2HH1 ARG 66 4.179 0.699 -11.295 524 HH21 ARG 66 1HH2 ARG 66 7.441 -0.155 -11.145 525 HH22 ARG 66 2HH2 ARG 66 5.769 -0.661 -11.018 526 H ASN 67 H ASN 67 10.418 5.822 -13.760 527 HA ASN 67 HA ASN 67 11.838 3.520 -14.746 528 HB2 ASN 67 1HB ASN 67 12.027 4.877 -16.791 529 HB3 ASN 67 2HB ASN 67 10.391 4.929 -16.152 530 HD21 ASN 67 1HD2 ASN 67 12.919 6.863 -17.330 531 HD22 ASN 67 2HD2 ASN 67 12.325 8.393 -16.701 532 H GLU 68 H GLU 68 12.971 6.357 -13.027 533 HA GLU 68 HA GLU 68 15.716 6.220 -14.029 534 HB2 GLU 68 1HB GLU 68 14.526 7.673 -11.634 535 HB3 GLU 68 2HB GLU 68 16.167 7.873 -12.268 536 HG2 GLU 68 1HG GLU 68 15.167 8.539 -14.489 537 HG3 GLU 68 2HG GLU 68 13.579 8.571 -13.721 538 H ILE 69 H ILE 69 13.988 4.343 -11.721 539 HA ILE 69 HA ILE 69 16.134 3.671 -9.904 540 HB ILE 69 HB ILE 69 13.617 2.144 -10.675 541 HG12 ILE 69 1HG1 ILE 69 14.133 3.893 -8.219 542 HG13 ILE 69 2HG1 ILE 69 13.228 4.423 -9.635 543 HG21 ILE 69 1HG2 ILE 69 15.342 0.648 -9.653 544 HG22 ILE 69 2HG2 ILE 69 15.432 1.743 -8.258 545 HG23 ILE 69 3HG2 ILE 69 13.945 0.842 -8.621 546 HD11 ILE 69 1HD1 ILE 69 11.644 3.767 -7.984 547 HD12 ILE 69 2HD1 ILE 69 11.594 2.551 -9.272 548 HD13 ILE 69 3HD1 ILE 69 12.416 2.205 -7.729 549 H LYS 70 H LYS 70 17.581 2.008 -9.968 550 HA LYS 70 HA LYS 70 17.798 0.360 -12.451 551 HB2 LYS 70 1HB LYS 70 20.079 1.735 -10.964 552 HB3 LYS 70 2HB LYS 70 20.257 0.686 -12.379 553 HG2 LYS 70 1HG LYS 70 18.989 2.279 -13.768 554 HG3 LYS 70 2HG LYS 70 18.699 3.302 -12.356 555 HD2 LYS 70 1HD LYS 70 21.194 3.613 -12.119 556 HD3 LYS 70 2HD LYS 70 21.378 2.754 -13.656 557 HE2 LYS 70 1HE LYS 70 21.403 5.108 -14.143 558 HE3 LYS 70 2HE LYS 70 19.876 4.454 -14.742 559 HZ1 LYS 70 1HZ LYS 70 19.550 6.543 -13.536 560 HZ2 LYS 70 2HZ LYS 70 20.219 5.932 -12.181 561 HZ3 LYS 70 3HZ LYS 70 18.789 5.345 -12.721 562 H ASN 71 H ASN 71 19.164 -1.596 -12.208 563 HA ASN 71 HA ASN 71 18.264 -3.138 -9.976 564 HB2 ASN 71 1HB ASN 71 19.729 -4.906 -10.864 565 HB3 ASN 71 2HB ASN 71 18.715 -4.191 -12.108 566 HD21 ASN 71 1HD2 ASN 71 21.860 -5.204 -11.477 567 HD22 ASN 71 2HD2 ASN 71 22.647 -4.277 -12.744 568 H GLY 72 H GLY 72 18.950 -3.265 -7.987 569 HA2 GLY 72 1HA GLY 72 20.484 -3.479 -6.206 570 HA3 GLY 72 2HA GLY 72 21.775 -2.795 -7.191 571 H THR 73 H THR 73 18.895 -0.882 -7.419 572 HA THR 73 HA THR 73 20.075 1.349 -6.013 573 HB THR 73 HB THR 73 17.193 0.919 -6.869 574 HG1 THR 73 1HG THR 73 18.607 0.976 -8.558 575 HG21 THR 73 1HG2 THR 73 17.262 2.708 -5.184 576 HG22 THR 73 2HG2 THR 73 17.015 3.387 -6.793 577 HG23 THR 73 3HG2 THR 73 18.620 3.481 -6.034 578 H ILE 74 H ILE 74 20.088 1.860 -3.901 579 HA ILE 74 HA ILE 74 18.411 0.380 -1.992 580 HB ILE 74 HB ILE 74 20.291 2.653 -1.339 581 HG12 ILE 74 1HG1 ILE 74 20.923 -0.337 -1.281 582 HG13 ILE 74 2HG1 ILE 74 21.521 0.779 -2.510 583 HG21 ILE 74 1HG2 ILE 74 18.533 2.013 0.362 584 HG22 ILE 74 2HG2 ILE 74 19.194 0.375 0.371 585 HG23 ILE 74 3HG2 ILE 74 20.174 1.747 0.928 586 HD11 ILE 74 1HD1 ILE 74 22.214 0.881 0.438 587 HD12 ILE 74 2HD1 ILE 74 23.265 0.463 -0.923 588 HD13 ILE 74 3HD1 ILE 74 22.658 2.123 -0.764 589 H LEU 75 H LEU 75 16.514 1.022 -1.379 590 HA LEU 75 HA LEU 75 15.587 3.852 -1.673 591 HB2 LEU 75 1HB LEU 75 13.972 1.290 -1.933 592 HB3 LEU 75 2HB LEU 75 13.312 2.920 -2.003 593 HG LEU 75 HG LEU 75 15.201 1.683 -4.052 594 HD11 LEU 75 1HD1 LEU 75 12.244 2.404 -4.196 595 HD12 LEU 75 2HD1 LEU 75 12.905 0.759 -4.064 596 HD13 LEU 75 3HD1 LEU 75 13.232 1.731 -5.508 597 HD21 LEU 75 1HD2 LEU 75 14.613 3.704 -5.412 598 HD22 LEU 75 2HD2 LEU 75 15.566 4.096 -3.981 599 HD23 LEU 75 3HD2 LEU 75 13.811 4.403 -3.987 600 H ARG 76 H ARG 76 13.676 4.207 -0.150 601 HA ARG 76 HA ARG 76 13.763 2.702 2.413 602 HB2 ARG 76 1HB ARG 76 15.375 4.554 2.571 603 HB3 ARG 76 2HB ARG 76 14.140 5.702 2.044 604 HG2 ARG 76 1HG ARG 76 12.868 5.353 4.086 605 HG3 ARG 76 2HG ARG 76 13.900 4.005 4.556 606 HD2 ARG 76 1HD ARG 76 14.367 6.159 5.797 607 HD3 ARG 76 2HD ARG 76 15.756 5.411 5.017 608 HE ARG 76 HE ARG 76 16.080 7.353 3.867 609 HH11 ARG 76 1HH1 ARG 76 12.622 7.335 4.537 610 HH12 ARG 76 2HH1 ARG 76 12.384 8.762 3.532 611 HH21 ARG 76 1HH2 ARG 76 15.621 9.278 2.735 612 HH22 ARG 76 2HH2 ARG 76 13.950 9.788 2.695 613 H LEU 77 H LEU 77 11.815 2.474 3.348 614 HA LEU 77 HA LEU 77 9.401 3.461 1.976 615 HB2 LEU 77 1HB LEU 77 9.477 1.184 2.811 616 HB3 LEU 77 2HB LEU 77 9.854 1.740 4.440 617 HG LEU 77 HG LEU 77 7.570 2.858 4.443 618 HD11 LEU 77 1HD1 LEU 77 7.126 2.939 2.010 619 HD12 LEU 77 2HD1 LEU 77 5.927 1.880 2.773 620 HD13 LEU 77 3HD1 LEU 77 7.288 1.175 1.896 621 HD21 LEU 77 1HD2 LEU 77 7.612 -0.141 4.041 622 HD22 LEU 77 2HD2 LEU 77 6.356 0.795 4.880 623 HD23 LEU 77 3HD2 LEU 77 7.995 0.712 5.551 624 H THR 78 H THR 78 8.044 5.083 2.677 625 HA THR 78 HA THR 78 8.375 6.382 5.300 626 HB THR 78 HB THR 78 10.208 7.352 4.032 627 HG1 THR 78 1HG THR 78 9.247 8.794 5.348 628 HG21 THR 78 1HG2 THR 78 8.160 8.163 1.930 629 HG22 THR 78 2HG2 THR 78 9.531 7.048 1.716 630 HG23 THR 78 3HG2 THR 78 9.833 8.750 2.035 631 H THR 79 H THR 79 6.630 7.935 5.769 632 HA THR 79 HA THR 79 4.186 7.503 4.179 633 HB THR 79 HB THR 79 3.179 9.176 5.759 634 HG1 THR 79 1HG THR 79 5.108 10.104 6.529 635 HG21 THR 79 1HG2 THR 79 4.333 6.642 6.977 636 HG22 THR 79 2HG2 THR 79 2.845 6.759 6.011 637 HG23 THR 79 3HG2 THR 79 2.936 7.569 7.577 638 H SER 80 H SER 80 3.309 8.853 2.755 639 HA SER 80 HA SER 80 5.019 10.525 1.253 640 HB2 SER 80 1HB SER 80 3.182 9.263 0.277 641 HB3 SER 80 2HB SER 80 2.004 10.172 1.230 642 HG SER 80 HG SER 80 3.475 10.967 -1.025 643 HA PRO 81 HA PRO 81 4.159 14.670 2.955 644 HB2 PRO 81 1HB PRO 81 4.568 15.548 0.097 645 HB3 PRO 81 2HB PRO 81 5.288 16.214 1.596 646 HG2 PRO 81 1HG PRO 81 6.754 14.640 -0.040 647 HG3 PRO 81 2HG PRO 81 6.829 14.396 1.739 648 HD2 PRO 81 1HD PRO 81 5.179 12.857 -0.295 649 HD3 PRO 81 2HD PRO 81 6.233 12.233 1.014 650 H ALA 82 H ALA 82 2.409 13.108 0.407 651 HA ALA 82 HA ALA 82 0.263 15.171 0.339 652 HB1 ALA 82 1HB ALA 82 -0.038 14.486 -2.003 653 HB2 ALA 82 2HB ALA 82 1.638 14.978 -1.701 654 HB3 ALA 82 3HB ALA 82 1.225 13.252 -1.818 655 H GLN 83 H GLN 83 0.307 12.911 2.281 656 HA GLN 83 HA GLN 83 -1.194 10.678 1.620 657 HB2 GLN 83 1HB GLN 83 -1.190 12.325 4.173 658 HB3 GLN 83 2HB GLN 83 -1.995 10.757 4.053 659 HG2 GLN 83 1HG GLN 83 0.016 9.576 3.791 660 HG3 GLN 83 2HG GLN 83 0.915 10.987 3.290 661 HE21 GLN 83 1HE2 GLN 83 2.282 11.802 4.843 662 HE22 GLN 83 2HE2 GLN 83 2.022 11.625 6.583 663 H ASN 84 H ASN 84 -2.591 13.828 2.608 664 HA ASN 84 HA ASN 84 -5.336 12.926 1.945 665 HB2 ASN 84 1HB ASN 84 -6.028 14.980 3.004 666 HB3 ASN 84 2HB ASN 84 -4.906 14.142 4.066 667 HD21 ASN 84 1HD2 ASN 84 -5.711 17.106 3.689 668 HD22 ASN 84 2HD2 ASN 84 -4.150 17.908 3.585 669 H ALA 85 H ALA 85 -2.794 14.977 0.609 670 HA ALA 85 HA ALA 85 -4.524 16.511 -1.129 671 HB1 ALA 85 1HB ALA 85 -1.493 16.199 -1.069 672 HB2 ALA 85 2HB ALA 85 -2.402 17.469 -1.910 673 HB3 ALA 85 3HB ALA 85 -2.440 17.385 -0.139 674 H GLN 86 H GLN 86 -2.835 13.451 -1.557 675 HA GLN 86 HA GLN 86 -2.620 13.390 -4.372 676 HB2 GLN 86 1HB GLN 86 -2.421 10.979 -4.136 677 HB3 GLN 86 2HB GLN 86 -1.482 11.824 -2.908 678 HG2 GLN 86 1HG GLN 86 -3.398 11.393 -1.276 679 HG3 GLN 86 2HG GLN 86 -4.139 10.374 -2.504 680 HE21 GLN 86 1HE2 GLN 86 -3.133 9.652 0.209 681 HE22 GLN 86 2HE2 GLN 86 -2.027 8.304 -0.120 682 H GLN 87 H GLN 87 -3.955 12.934 -6.041 683 HA GLN 87 HA GLN 87 -6.854 12.673 -5.578 684 HB2 GLN 87 1HB GLN 87 -7.108 12.913 -7.923 685 HB3 GLN 87 2HB GLN 87 -6.006 14.163 -7.366 686 HG2 GLN 87 1HG GLN 87 -4.123 13.130 -8.406 687 HG3 GLN 87 2HG GLN 87 -4.932 11.573 -8.569 688 HE21 GLN 87 1HE2 GLN 87 -6.782 11.381 -10.134 689 HE22 GLN 87 2HE2 GLN 87 -6.741 12.454 -11.531 690 H LEU 88 H LEU 88 -8.115 10.999 -6.693 691 HA LEU 88 HA LEU 88 -6.956 8.298 -6.525 692 HB2 LEU 88 1HB LEU 88 -9.693 9.354 -7.354 693 HB3 LEU 88 2HB LEU 88 -9.237 7.670 -7.465 694 HG LEU 88 HG LEU 88 -10.581 7.982 -5.538 695 HD11 LEU 88 1HD1 LEU 88 -9.228 6.980 -3.814 696 HD12 LEU 88 2HD1 LEU 88 -7.732 7.564 -4.563 697 HD13 LEU 88 3HD1 LEU 88 -8.725 6.337 -5.387 698 HD21 LEU 88 1HD2 LEU 88 -8.540 9.884 -4.336 699 HD22 LEU 88 2HD2 LEU 88 -10.072 9.341 -3.635 700 HD23 LEU 88 3HD2 LEU 88 -10.088 10.381 -5.068 701 H HIS 89 H HIS 89 -6.293 7.071 -8.193 702 HA HIS 89 HA HIS 89 -6.958 7.518 -10.958 703 HB2 HIS 89 1HB HIS 89 -4.812 8.058 -11.853 704 HB3 HIS 89 2HB HIS 89 -5.148 9.267 -10.634 705 HD2 HIS 89 2HD HIS 89 -3.588 9.257 -8.413 706 HE1 HIS 89 1HE HIS 89 -0.785 6.332 -9.754 707 HE2 HIS 89 2HE HIS 89 -1.264 8.093 -7.974 708 H GLU 90 H GLU 90 -5.742 5.896 -12.366 709 HA GLU 90 HA GLU 90 -4.327 3.746 -10.986 710 HB2 GLU 90 1HB GLU 90 -6.661 2.996 -10.749 711 HB3 GLU 90 2HB GLU 90 -6.919 3.171 -12.481 712 HG2 GLU 90 1HG GLU 90 -6.619 0.835 -11.898 713 HG3 GLU 90 2HG GLU 90 -5.293 1.358 -12.924 714 H ARG 91 H ARG 91 -2.519 4.254 -12.135 715 HA ARG 91 HA ARG 91 -2.414 3.454 -14.955 716 HB2 ARG 91 1HB ARG 91 -3.018 5.949 -14.797 717 HB3 ARG 91 2HB ARG 91 -1.408 6.212 -14.112 718 HG2 ARG 91 1HG ARG 91 -0.391 5.265 -16.163 719 HG3 ARG 91 2HG ARG 91 -2.011 4.878 -16.781 720 HD2 ARG 91 1HD ARG 91 -2.544 7.346 -16.717 721 HD3 ARG 91 2HD ARG 91 -0.869 7.653 -16.257 722 HE ARG 91 HE ARG 91 -0.135 6.662 -18.391 723 HH11 ARG 91 1HH1 ARG 91 -3.553 7.490 -18.334 724 HH12 ARG 91 2HH1 ARG 91 -3.636 7.624 -20.069 725 HH21 ARG 91 1HH2 ARG 91 -0.299 6.990 -20.590 726 HH22 ARG 91 2HH2 ARG 91 -1.858 7.314 -21.300 727 H ILE 92 H ILE 92 -0.510 2.606 -15.529 728 HA ILE 92 HA ILE 92 1.580 2.270 -13.431 729 HB ILE 92 HB ILE 92 2.143 0.204 -14.613 730 HG12 ILE 92 1HG1 ILE 92 -0.193 0.826 -16.482 731 HG13 ILE 92 2HG1 ILE 92 1.511 0.927 -16.919 732 HG21 ILE 92 1HG2 ILE 92 0.432 0.286 -12.796 733 HG22 ILE 92 2HG2 ILE 92 -0.845 0.365 -14.027 734 HG23 ILE 92 3HG2 ILE 92 0.199 -1.061 -13.910 735 HD11 ILE 92 1HD1 ILE 92 1.779 -1.490 -16.546 736 HD12 ILE 92 2HD1 ILE 92 0.047 -1.620 -16.144 737 HD13 ILE 92 3HD1 ILE 92 0.552 -1.122 -17.766 738 H GLN 93 H GLN 93 1.245 3.878 -16.441 739 HA GLN 93 HA GLN 93 4.100 4.448 -16.667 740 HB2 GLN 93 1HB GLN 93 4.435 3.433 -18.839 741 HB3 GLN 93 2HB GLN 93 3.891 2.195 -17.713 742 HG2 GLN 93 1HG GLN 93 1.502 2.630 -18.681 743 HG3 GLN 93 2HG GLN 93 2.319 3.524 -19.959 744 HE21 GLN 93 1HE2 GLN 93 0.965 1.660 -21.076 745 HE22 GLN 93 2HE2 GLN 93 1.893 0.203 -21.393 746 H SER 94 H SER 94 4.560 6.053 -18.370 747 HA SER 94 HA SER 94 2.425 7.959 -18.893 748 HB2 SER 94 1HB SER 94 4.160 9.084 -20.278 749 HB3 SER 94 2HB SER 94 4.663 8.772 -18.608 750 HG SER 94 HG SER 94 6.302 8.211 -20.109 751 H SER 95 H SER 95 4.446 6.057 -21.157 752 HA SER 95 HA SER 95 2.162 4.849 -22.492 753 HB2 SER 95 1HB SER 95 2.169 7.062 -23.604 754 HB3 SER 95 2HB SER 95 3.870 6.831 -24.052 755 HG SER 95 HG SER 95 2.391 6.256 -25.737 756 H SER 96 H SER 96 2.777 3.033 -23.714 757 HA SER 96 HA SER 96 5.502 2.490 -24.496 758 HB2 SER 96 1HB SER 96 5.582 1.991 -22.015 759 HB3 SER 96 2HB SER 96 4.382 0.716 -22.298 760 HG SER 96 HG SER 96 6.600 -0.007 -22.325 761 H MET 97 H MET 97 5.709 0.294 -25.459 762 HA MET 97 HA MET 97 3.265 -1.169 -26.136 763 HB2 MET 97 1HB MET 97 3.316 0.490 -27.933 764 HB3 MET 97 2HB MET 97 4.993 0.070 -28.314 765 HG2 MET 97 1HG MET 97 4.303 -2.203 -28.955 766 HG3 MET 97 2HG MET 97 2.635 -1.846 -28.490 767 HE1 MET 97 1HE MET 97 1.832 -2.791 -30.824 768 HE2 MET 97 2HE MET 97 2.463 -2.230 -32.389 769 HE3 MET 97 3HE MET 97 3.522 -3.119 -31.271 770 H ASP 98 H ASP 98 3.665 -3.299 -26.112 771 HA ASP 98 HA ASP 98 6.356 -4.221 -25.484 772 HB2 ASP 98 1HB ASP 98 3.725 -5.717 -25.742 773 HB3 ASP 98 2HB ASP 98 5.241 -6.416 -25.166 774 H ALA 99 H ALA 99 7.664 -5.582 -26.539 775 HA ALA 99 HA ALA 99 6.898 -6.720 -29.178 776 HB1 ALA 99 1HB ALA 99 8.096 -4.587 -29.562 777 HB2 ALA 99 2HB ALA 99 9.470 -5.187 -28.604 778 HB3 ALA 99 3HB ALA 99 9.034 -5.977 -30.136 779 H LYS 100 H LYS 100 7.545 -7.648 -26.228 780 HA LYS 100 HA LYS 100 9.868 -9.379 -26.431 781 HB2 LYS 100 1HB LYS 100 7.556 -9.164 -24.456 782 HB3 LYS 100 2HB LYS 100 8.832 -10.355 -24.281 783 HG2 LYS 100 1HG LYS 100 9.294 -7.336 -24.308 784 HG3 LYS 100 2HG LYS 100 9.163 -8.361 -22.872 785 HD2 LYS 100 1HD LYS 100 11.090 -9.748 -23.847 786 HD3 LYS 100 2HD LYS 100 11.350 -8.420 -24.991 787 HE2 LYS 100 1HE LYS 100 11.775 -6.865 -23.158 788 HE3 LYS 100 2HE LYS 100 11.282 -8.079 -21.965 789 HZ1 LYS 100 1HZ LYS 100 13.658 -8.308 -23.729 790 HZ2 LYS 100 2HZ LYS 100 13.155 -9.467 -22.684 791 HZ3 LYS 100 3HZ LYS 100 13.685 -8.020 -22.120 792 H LEU 101 H LEU 101 10.061 -11.304 -27.279 793 HA LEU 101 HA LEU 101 7.753 -12.942 -28.077 794 HB2 LEU 101 1HB LEU 101 9.753 -12.720 -29.512 795 HB3 LEU 101 2HB LEU 101 10.759 -13.389 -28.227 796 HG LEU 101 HG LEU 101 9.573 -15.567 -28.415 797 HD11 LEU 101 1HD1 LEU 101 8.120 -15.981 -30.393 798 HD12 LEU 101 2HD1 LEU 101 8.137 -14.242 -30.764 799 HD13 LEU 101 3HD1 LEU 101 7.379 -14.840 -29.269 800 HD21 LEU 101 1HD2 LEU 101 11.623 -15.132 -29.711 801 HD22 LEU 101 2HD2 LEU 101 10.648 -14.500 -31.056 802 HD23 LEU 101 3HD2 LEU 101 10.521 -16.210 -30.584 803 H GLU 102 H GLU 102 10.084 -12.825 -25.501 804 HA GLU 102 HA GLU 102 9.446 -15.414 -24.315 805 HB2 GLU 102 1HB GLU 102 10.918 -14.758 -22.525 806 HB3 GLU 102 2HB GLU 102 11.667 -14.410 -24.086 807 HG2 GLU 102 1HG GLU 102 10.937 -12.007 -23.826 808 HG3 GLU 102 2HG GLU 102 10.385 -12.389 -22.193 809 H ALA 103 H ALA 103 8.516 -15.742 -22.227 810 HA ALA 103 HA ALA 103 6.807 -13.705 -21.005 811 HB1 ALA 103 1HB ALA 103 4.732 -15.019 -21.319 812 HB2 ALA 103 2HB ALA 103 5.406 -14.530 -22.881 813 HB3 ALA 103 3HB ALA 103 5.618 -16.200 -22.309 814 H LEU 104 H LEU 104 5.580 -14.696 -19.120 815 HA LEU 104 HA LEU 104 6.728 -17.115 -17.926 816 HB2 LEU 104 1HB LEU 104 7.340 -16.011 -15.812 817 HB3 LEU 104 2HB LEU 104 8.327 -15.557 -17.181 818 HG LEU 104 HG LEU 104 7.099 -13.367 -17.334 819 HD11 LEU 104 1HD1 LEU 104 4.994 -13.818 -16.194 820 HD12 LEU 104 2HD1 LEU 104 5.881 -12.624 -15.259 821 HD13 LEU 104 3HD1 LEU 104 5.851 -14.311 -14.715 822 HD21 LEU 104 1HD2 LEU 104 8.415 -14.024 -14.667 823 HD22 LEU 104 2HD2 LEU 104 8.247 -12.405 -15.378 824 HD23 LEU 104 3HD2 LEU 104 9.259 -13.613 -16.177 825 H LYS 105 H LYS 105 5.657 -17.560 -15.742 826 HA LYS 105 HA LYS 105 2.928 -18.038 -16.273 827 HB2 LYS 105 1HB LYS 105 4.346 -19.447 -14.828 828 HB3 LYS 105 2HB LYS 105 4.467 -18.147 -13.646 829 HG2 LYS 105 1HG LYS 105 2.924 -19.805 -12.858 830 HG3 LYS 105 2HG LYS 105 2.037 -18.320 -13.183 831 HD2 LYS 105 1HD LYS 105 1.290 -19.301 -15.387 832 HD3 LYS 105 2HD LYS 105 2.117 -20.804 -14.972 833 HE2 LYS 105 1HE LYS 105 -0.128 -19.500 -13.356 834 HE3 LYS 105 2HE LYS 105 -0.367 -20.778 -14.548 835 HZ1 LYS 105 1HZ LYS 105 -0.243 -21.709 -12.329 836 HZ2 LYS 105 2HZ LYS 105 1.227 -21.062 -12.057 837 HZ3 LYS 105 3HZ LYS 105 1.042 -22.233 -13.185 838 H ASP 106 H ASP 106 1.047 -17.158 -15.730 839 HA ASP 106 HA ASP 106 0.854 -14.771 -13.983 840 HB2 ASP 106 1HB ASP 106 -0.313 -13.515 -15.652 841 HB3 ASP 106 2HB ASP 106 1.246 -13.986 -16.294 842 H LEU 107 H LEU 107 -1.651 -14.082 -14.119 843 HA LEU 107 HA LEU 107 -3.468 -16.397 -13.971 844 HB2 LEU 107 1HB LEU 107 -2.458 -16.211 -11.719 845 HB3 LEU 107 2HB LEU 107 -2.894 -14.506 -11.656 846 HG LEU 107 HG LEU 107 -5.317 -15.136 -11.690 847 HD11 LEU 107 1HD1 LEU 107 -5.180 -17.355 -12.793 848 HD12 LEU 107 2HD1 LEU 107 -5.941 -17.484 -11.205 849 HD13 LEU 107 3HD1 LEU 107 -4.248 -17.983 -11.417 850 HD21 LEU 107 1HD2 LEU 107 -3.675 -16.457 -9.495 851 HD22 LEU 107 2HD2 LEU 107 -5.382 -15.968 -9.387 852 HD23 LEU 107 3HD2 LEU 107 -4.121 -14.739 -9.572 853 H ALA 108 H ALA 108 -5.593 -15.868 -14.411 854 HA ALA 108 HA ALA 108 -6.134 -13.323 -15.681 855 HB1 ALA 108 1HB ALA 108 -6.888 -15.494 -16.585 856 HB2 ALA 108 2HB ALA 108 -7.932 -15.726 -15.162 857 HB3 ALA 108 3HB ALA 108 -8.246 -14.395 -16.298 858 H SER 109 H SER 109 -5.571 -12.762 -12.992 859 HA SER 109 HA SER 109 -8.049 -12.458 -11.447 860 HB2 SER 109 1HB SER 109 -6.511 -11.580 -9.723 861 HB3 SER 109 2HB SER 109 -6.006 -13.159 -10.343 862 HG SER 109 HG SER 109 -4.276 -11.600 -10.177 863 H LEU 110 H LEU 110 -6.587 -10.525 -13.825 864 HA LEU 110 HA LEU 110 -6.813 -7.918 -12.689 865 HB2 LEU 110 1HB LEU 110 -6.906 -8.751 -15.614 866 HB3 LEU 110 2HB LEU 110 -6.611 -7.120 -15.020 867 HG LEU 110 HG LEU 110 -4.784 -9.526 -14.600 868 HD11 LEU 110 1HD1 LEU 110 -4.498 -7.021 -16.311 869 HD12 LEU 110 2HD1 LEU 110 -4.789 -8.671 -16.904 870 HD13 LEU 110 3HD1 LEU 110 -3.263 -8.277 -16.093 871 HD21 LEU 110 1HD2 LEU 110 -4.416 -6.610 -13.782 872 HD22 LEU 110 2HD2 LEU 110 -3.150 -7.856 -13.740 873 HD23 LEU 110 3HD2 LEU 110 -4.558 -8.007 -12.688 874 H SER 111 H SER 111 -8.256 -6.203 -13.074 875 HA SER 111 HA SER 111 -11.044 -6.882 -12.921 876 HB2 SER 111 1HB SER 111 -10.040 -4.906 -11.831 877 HB3 SER 111 2HB SER 111 -9.766 -4.174 -13.426 878 HG SER 111 HG SER 111 -11.734 -3.473 -12.436 879 H ARG 112 H ARG 112 -12.684 -6.752 -14.375 880 HA ARG 112 HA ARG 112 -12.022 -6.979 -17.241 881 HB2 ARG 112 1HB ARG 112 -14.499 -7.448 -15.553 882 HB3 ARG 112 2HB ARG 112 -14.637 -7.286 -17.295 883 HG2 ARG 112 1HG ARG 112 -14.535 -9.617 -16.665 884 HG3 ARG 112 2HG ARG 112 -13.176 -9.173 -17.696 885 HD2 ARG 112 1HD ARG 112 -11.655 -9.170 -15.801 886 HD3 ARG 112 2HD ARG 112 -12.998 -9.425 -14.667 887 HE ARG 112 HE ARG 112 -13.204 -11.562 -16.397 888 HH11 ARG 112 1HH1 ARG 112 -10.501 -10.424 -14.428 889 HH12 ARG 112 2HH1 ARG 112 -9.897 -12.054 -14.230 890 HH21 ARG 112 1HH2 ARG 112 -12.310 -13.590 -16.071 891 HH22 ARG 112 2HH2 ARG 112 -10.871 -13.740 -15.096 892 H ASP 113 H ASP 113 -12.952 -5.823 -18.893 893 HA ASP 113 HA ASP 113 -13.199 -2.944 -18.548 894 HB2 ASP 113 1HB ASP 113 -12.067 -3.927 -20.467 895 HB3 ASP 113 2HB ASP 113 -13.527 -4.784 -20.946 Start of MODEL 12 1 H1 GLY 0 1H GLY 0 3.155 -19.412 -24.738 2 H2 GLY 0 2H GLY 0 3.018 -19.127 -26.344 3 H3 GLY 0 3H GLY 0 1.672 -19.275 -25.423 4 HA2 GLY 0 1HA GLY 0 2.056 -16.960 -25.952 5 HA3 GLY 0 2HA GLY 0 2.181 -17.269 -24.211 6 H MET 1 H MET 1 3.355 -15.047 -25.546 7 HA MET 1 HA MET 1 6.176 -15.464 -26.010 8 HB2 MET 1 1HB MET 1 4.569 -12.935 -25.479 9 HB3 MET 1 2HB MET 1 6.277 -12.962 -25.934 10 HG2 MET 1 1HG MET 1 5.706 -14.155 -28.030 11 HG3 MET 1 2HG MET 1 3.991 -14.061 -27.611 12 HE1 MET 1 1HE MET 1 3.487 -13.010 -29.982 13 HE2 MET 1 2HE MET 1 4.321 -11.580 -30.628 14 HE3 MET 1 3HE MET 1 5.217 -13.095 -30.389 15 HA PRO 2 HA PRO 2 7.857 -15.255 -21.882 16 HB2 PRO 2 1HB PRO 2 9.875 -13.303 -22.992 17 HB3 PRO 2 2HB PRO 2 10.156 -14.770 -22.004 18 HG2 PRO 2 1HG PRO 2 10.599 -14.835 -24.667 19 HG3 PRO 2 2HG PRO 2 9.741 -16.200 -23.876 20 HD2 PRO 2 1HD PRO 2 8.548 -13.859 -25.393 21 HD3 PRO 2 2HD PRO 2 8.189 -15.606 -25.535 22 HA PRO 3 HA PRO 3 6.383 -11.470 -19.943 23 HB2 PRO 3 1HB PRO 3 7.796 -11.394 -17.588 24 HB3 PRO 3 2HB PRO 3 6.489 -12.574 -17.914 25 HG2 PRO 3 1HG PRO 3 9.483 -12.971 -18.245 26 HG3 PRO 3 2HG PRO 3 8.316 -14.032 -17.391 27 HD2 PRO 3 1HD PRO 3 9.080 -14.534 -19.941 28 HD3 PRO 3 2HD PRO 3 7.388 -14.803 -19.428 29 HA PRO 4 HA PRO 4 9.175 -8.261 -21.149 30 HB2 PRO 4 1HB PRO 4 8.457 -6.111 -19.600 31 HB3 PRO 4 2HB PRO 4 7.427 -6.779 -20.902 32 HG2 PRO 4 1HG PRO 4 7.276 -7.370 -17.925 33 HG3 PRO 4 2HG PRO 4 5.940 -6.914 -19.033 34 HD2 PRO 4 1HD PRO 4 6.427 -9.505 -18.399 35 HD3 PRO 4 2HD PRO 4 5.938 -9.047 -20.058 36 H ALA 5 H ALA 5 11.168 -7.393 -20.712 37 HA ALA 5 HA ALA 5 12.576 -8.276 -18.325 38 HB1 ALA 5 1HB ALA 5 13.496 -6.606 -20.705 39 HB2 ALA 5 2HB ALA 5 14.545 -7.394 -19.508 40 HB3 ALA 5 3HB ALA 5 13.557 -8.382 -20.599 41 H ASP 6 H ASP 6 10.589 -5.739 -18.614 42 HA ASP 6 HA ASP 6 12.157 -3.574 -17.449 43 HB2 ASP 6 1HB ASP 6 9.175 -3.780 -17.939 44 HB3 ASP 6 2HB ASP 6 10.071 -2.311 -17.542 45 H ILE 7 H ILE 7 12.592 -5.492 -15.734 46 HA ILE 7 HA ILE 7 11.097 -4.751 -13.269 47 HB ILE 7 HB ILE 7 11.909 -7.592 -13.961 48 HG12 ILE 7 1HG1 ILE 7 9.147 -6.310 -13.973 49 HG13 ILE 7 2HG1 ILE 7 10.010 -6.962 -15.361 50 HG21 ILE 7 1HG2 ILE 7 10.734 -8.211 -11.888 51 HG22 ILE 7 2HG2 ILE 7 12.002 -7.063 -11.532 52 HG23 ILE 7 3HG2 ILE 7 10.314 -6.512 -11.594 53 HD11 ILE 7 1HD1 ILE 7 8.334 -8.537 -14.777 54 HD12 ILE 7 2HD1 ILE 7 9.898 -9.245 -14.326 55 HD13 ILE 7 3HD1 ILE 7 8.821 -8.561 -13.077 56 H VAL 8 H VAL 8 12.390 -4.333 -11.567 57 HA VAL 8 HA VAL 8 15.317 -4.927 -11.748 58 HB VAL 8 HB VAL 8 15.751 -2.659 -10.872 59 HG11 VAL 8 1HG1 VAL 8 14.421 -2.686 -13.603 60 HG12 VAL 8 2HG1 VAL 8 15.644 -1.538 -13.029 61 HG13 VAL 8 3HG1 VAL 8 16.072 -3.243 -13.257 62 HG21 VAL 8 1HG2 VAL 8 14.129 -0.839 -11.285 63 HG22 VAL 8 2HG2 VAL 8 12.872 -2.037 -11.634 64 HG23 VAL 8 3HG2 VAL 8 13.597 -1.939 -10.013 65 H LYS 9 H LYS 9 16.265 -5.664 -9.982 66 HA LYS 9 HA LYS 9 14.754 -6.018 -7.494 67 HB2 LYS 9 1HB LYS 9 16.378 -7.684 -8.500 68 HB3 LYS 9 2HB LYS 9 17.692 -6.596 -8.030 69 HG2 LYS 9 1HG LYS 9 17.041 -6.817 -5.652 70 HG3 LYS 9 2HG LYS 9 15.637 -7.802 -6.115 71 HD2 LYS 9 1HD LYS 9 17.171 -9.505 -7.095 72 HD3 LYS 9 2HD LYS 9 18.564 -8.537 -6.567 73 HE2 LYS 9 1HE LYS 9 17.826 -8.760 -4.210 74 HE3 LYS 9 2HE LYS 9 16.410 -9.684 -4.730 75 HZ1 LYS 9 1HZ LYS 9 19.234 -10.541 -5.108 76 HZ2 LYS 9 2HZ LYS 9 17.926 -11.388 -5.600 77 HZ3 LYS 9 3HZ LYS 9 18.198 -11.162 -4.010 78 H VAL 10 H VAL 10 15.034 -4.957 -5.588 79 HA VAL 10 HA VAL 10 16.988 -2.721 -5.368 80 HB VAL 10 HB VAL 10 15.274 -1.203 -4.519 81 HG11 VAL 10 1HG1 VAL 10 15.900 -1.172 -6.942 82 HG12 VAL 10 2HG1 VAL 10 14.460 -2.156 -7.287 83 HG13 VAL 10 3HG1 VAL 10 14.287 -0.536 -6.586 84 HG21 VAL 10 1HG2 VAL 10 13.206 -3.264 -5.388 85 HG22 VAL 10 2HG2 VAL 10 13.569 -2.781 -3.717 86 HG23 VAL 10 3HG2 VAL 10 12.877 -1.611 -4.836 87 H ALA 11 H ALA 11 17.333 -1.975 -3.241 88 HA ALA 11 HA ALA 11 16.450 -3.814 -1.049 89 HB1 ALA 11 1HB ALA 11 18.890 -3.910 -1.409 90 HB2 ALA 11 2HB ALA 11 18.990 -2.148 -1.181 91 HB3 ALA 11 3HB ALA 11 18.470 -3.198 0.160 92 H ILE 12 H ILE 12 15.498 -2.853 0.742 93 HA ILE 12 HA ILE 12 14.925 0.074 0.544 94 HB ILE 12 HB ILE 12 12.955 -2.076 1.329 95 HG12 ILE 12 1HG1 ILE 12 13.205 -0.619 -1.341 96 HG13 ILE 12 2HG1 ILE 12 13.574 -2.321 -1.074 97 HG21 ILE 12 1HG2 ILE 12 11.302 -0.286 1.244 98 HG22 ILE 12 2HG2 ILE 12 12.602 0.272 2.265 99 HG23 ILE 12 3HG2 ILE 12 12.498 0.857 0.594 100 HD11 ILE 12 1HD1 ILE 12 10.838 -1.090 -0.774 101 HD12 ILE 12 2HD1 ILE 12 11.413 -2.092 -2.105 102 HD13 ILE 12 3HD1 ILE 12 11.264 -2.790 -0.471 103 H GLU 13 H GLU 13 15.432 1.200 2.229 104 HA GLU 13 HA GLU 13 16.053 0.036 4.852 105 HB2 GLU 13 1HB GLU 13 15.973 2.897 3.834 106 HB3 GLU 13 2HB GLU 13 16.511 2.441 5.441 107 HG2 GLU 13 1HG GLU 13 17.819 1.565 2.826 108 HG3 GLU 13 2HG GLU 13 18.364 2.887 3.851 109 H TRP 14 H TRP 14 14.957 0.245 6.735 110 HA TRP 14 HA TRP 14 12.779 2.115 7.091 111 HB2 TRP 14 1HB TRP 14 11.537 0.286 6.090 112 HB3 TRP 14 2HB TRP 14 12.240 -0.865 7.226 113 HD1 TRP 14 HD TRP 14 10.925 -1.309 9.347 114 HE1 TRP 14 1HE TRP 14 8.906 -0.288 10.556 115 HE3 TRP 14 3HE TRP 14 10.337 2.887 6.492 116 HZ2 TRP 14 2HZ TRP 14 7.272 2.087 10.339 117 HZ3 TRP 14 3HZ TRP 14 8.586 4.556 7.056 118 HH2 TRP 14 HH TRP 14 7.050 4.167 8.971 119 HA PRO 15 HA PRO 15 14.870 2.088 10.964 120 HB2 PRO 15 1HB PRO 15 12.299 2.951 12.273 121 HB3 PRO 15 2HB PRO 15 13.929 3.686 12.382 122 HG2 PRO 15 1HG PRO 15 12.055 4.813 10.795 123 HG3 PRO 15 2HG PRO 15 13.728 4.613 10.169 124 HD2 PRO 15 1HD PRO 15 11.338 2.796 9.748 125 HD3 PRO 15 2HD PRO 15 12.421 3.496 8.513 126 H GLY 16 H GLY 16 15.336 0.798 12.715 127 HA2 GLY 16 1HA GLY 16 15.208 -0.900 14.255 128 HA3 GLY 16 2HA GLY 16 13.450 -0.812 14.159 129 H ALA 17 H ALA 17 14.963 -1.461 11.114 130 HA ALA 17 HA ALA 17 14.711 -4.411 11.381 131 HB1 ALA 17 1HB ALA 17 12.512 -3.508 10.634 132 HB2 ALA 17 2HB ALA 17 13.317 -2.732 9.247 133 HB3 ALA 17 3HB ALA 17 13.295 -4.500 9.391 134 H TYR 18 H TYR 18 15.706 -5.623 9.709 135 HA TYR 18 HA TYR 18 18.102 -4.495 8.528 136 HB2 TYR 18 1HB TYR 18 16.713 -7.159 8.079 137 HB3 TYR 18 2HB TYR 18 18.309 -6.736 7.478 138 HD1 TYR 18 1HD TYR 18 16.474 -8.117 10.256 139 HD2 TYR 18 2HD TYR 18 20.137 -6.094 9.193 140 HE1 TYR 18 1HE TYR 18 17.524 -8.889 12.381 141 HE2 TYR 18 2HE TYR 18 21.182 -6.869 11.315 142 HH TYR 18 HH TYR 18 20.902 -8.059 13.252 143 HA PRO 19 HA PRO 19 16.438 -2.990 4.728 144 HB2 PRO 19 1HB PRO 19 18.706 -4.325 3.261 145 HB3 PRO 19 2HB PRO 19 18.141 -2.627 3.174 146 HG2 PRO 19 1HG PRO 19 20.356 -3.261 4.606 147 HG3 PRO 19 2HG PRO 19 19.156 -2.108 5.274 148 HD2 PRO 19 1HD PRO 19 19.456 -5.057 5.894 149 HD3 PRO 19 2HD PRO 19 19.249 -3.675 7.010 150 H LYS 20 H LYS 20 14.777 -3.684 3.490 151 HA LYS 20 HA LYS 20 14.357 -6.583 3.026 152 HB2 LYS 20 1HB LYS 20 12.459 -5.383 3.831 153 HB3 LYS 20 2HB LYS 20 12.609 -4.137 2.577 154 HG2 LYS 20 1HG LYS 20 11.975 -5.668 0.844 155 HG3 LYS 20 2HG LYS 20 12.096 -7.062 1.939 156 HD2 LYS 20 1HD LYS 20 10.156 -6.281 3.209 157 HD3 LYS 20 2HD LYS 20 10.103 -4.780 2.279 158 HE2 LYS 20 1HE LYS 20 8.378 -6.321 1.485 159 HE3 LYS 20 2HE LYS 20 9.563 -5.993 0.221 160 HZ1 LYS 20 1HZ LYS 20 8.980 -8.368 0.387 161 HZ2 LYS 20 2HZ LYS 20 9.563 -8.449 1.907 162 HZ3 LYS 20 3HZ LYS 20 10.574 -8.153 0.654 163 H LEU 21 H LEU 21 14.973 -7.590 1.240 164 HA LEU 21 HA LEU 21 15.569 -6.108 -1.257 165 HB2 LEU 21 1HB LEU 21 15.829 -9.027 -0.444 166 HB3 LEU 21 2HB LEU 21 16.157 -8.444 -2.071 167 HG LEU 21 HG LEU 21 17.624 -7.384 0.384 168 HD11 LEU 21 1HD1 LEU 21 18.046 -9.797 0.142 169 HD12 LEU 21 2HD1 LEU 21 19.482 -8.854 -0.282 170 HD13 LEU 21 3HD1 LEU 21 18.478 -9.565 -1.566 171 HD21 LEU 21 1HD2 LEU 21 19.284 -6.623 -1.265 172 HD22 LEU 21 2HD2 LEU 21 17.704 -5.920 -1.629 173 HD23 LEU 21 3HD2 LEU 21 18.304 -7.281 -2.593 174 H MET 22 H MET 22 14.204 -6.066 -2.985 175 HA MET 22 HA MET 22 12.135 -8.067 -3.390 176 HB2 MET 22 1HB MET 22 10.203 -6.757 -3.177 177 HB3 MET 22 2HB MET 22 11.108 -6.477 -1.713 178 HG2 MET 22 1HG MET 22 10.467 -4.342 -2.171 179 HG3 MET 22 2HG MET 22 12.037 -4.361 -2.954 180 HE1 MET 22 1HE MET 22 7.917 -4.536 -5.126 181 HE2 MET 22 2HE MET 22 8.463 -5.807 -4.034 182 HE3 MET 22 3HE MET 22 8.082 -4.194 -3.386 183 H GLU 23 H GLU 23 10.707 -7.281 -5.426 184 HA GLU 23 HA GLU 23 12.575 -6.083 -7.431 185 HB2 GLU 23 1HB GLU 23 10.856 -8.560 -7.662 186 HB3 GLU 23 2HB GLU 23 11.455 -7.664 -9.065 187 HG2 GLU 23 1HG GLU 23 13.754 -8.046 -8.462 188 HG3 GLU 23 2HG GLU 23 13.303 -8.692 -6.884 189 H ILE 24 H ILE 24 11.868 -4.314 -8.239 190 HA ILE 24 HA ILE 24 9.011 -3.538 -8.184 191 HB ILE 24 HB ILE 24 11.589 -2.071 -8.820 192 HG12 ILE 24 1HG1 ILE 24 9.427 -1.821 -6.681 193 HG13 ILE 24 2HG1 ILE 24 11.063 -2.423 -6.453 194 HG21 ILE 24 1HG2 ILE 24 8.759 -0.975 -9.120 195 HG22 ILE 24 2HG2 ILE 24 10.260 -0.035 -9.251 196 HG23 ILE 24 3HG2 ILE 24 9.906 -1.257 -10.448 197 HD11 ILE 24 1HD1 ILE 24 11.944 -0.155 -7.026 198 HD12 ILE 24 2HD1 ILE 24 10.264 0.448 -7.035 199 HD13 ILE 24 3HD1 ILE 24 10.955 -0.221 -5.553 200 H ASP 25 H ASP 25 7.805 -4.351 -9.708 201 HA ASP 25 HA ASP 25 8.750 -4.770 -12.481 202 HB2 ASP 25 1HB ASP 25 7.294 -6.430 -11.396 203 HB3 ASP 25 2HB ASP 25 6.061 -5.208 -11.128 204 H GLN 26 H GLN 26 8.723 -3.111 -13.908 205 HA GLN 26 HA GLN 26 7.533 -0.585 -13.176 206 HB2 GLN 26 1HB GLN 26 8.747 -1.440 -15.800 207 HB3 GLN 26 2HB GLN 26 8.331 0.212 -15.365 208 HG2 GLN 26 1HG GLN 26 10.387 -1.474 -13.849 209 HG3 GLN 26 2HG GLN 26 10.758 -0.358 -15.147 210 HE21 GLN 26 1HE2 GLN 26 12.196 0.635 -13.477 211 HE22 GLN 26 2HE2 GLN 26 11.467 1.855 -12.441 212 H LYS 27 H LYS 27 6.099 -3.330 -14.637 213 HA LYS 27 HA LYS 27 3.915 -1.798 -15.939 214 HB2 LYS 27 1HB LYS 27 4.026 -4.782 -15.388 215 HB3 LYS 27 2HB LYS 27 3.004 -3.932 -16.539 216 HG2 LYS 27 1HG LYS 27 6.009 -4.361 -16.725 217 HG3 LYS 27 2HG LYS 27 4.761 -5.126 -17.698 218 HD2 LYS 27 1HD LYS 27 4.229 -2.993 -18.795 219 HD3 LYS 27 2HD LYS 27 5.372 -2.135 -17.731 220 HE2 LYS 27 1HE LYS 27 7.196 -3.638 -18.546 221 HE3 LYS 27 2HE LYS 27 6.082 -4.335 -19.724 222 HZ1 LYS 27 1HZ LYS 27 5.974 -2.246 -20.850 223 HZ2 LYS 27 2HZ LYS 27 7.574 -2.473 -20.496 224 HZ3 LYS 27 3HZ LYS 27 6.688 -1.430 -19.618 225 H LYS 28 H LYS 28 4.564 -3.096 -12.759 226 HA LYS 28 HA LYS 28 1.740 -3.233 -11.947 227 HB2 LYS 28 1HB LYS 28 4.376 -3.558 -10.472 228 HB3 LYS 28 2HB LYS 28 2.852 -3.347 -9.598 229 HG2 LYS 28 1HG LYS 28 1.899 -5.312 -10.827 230 HG3 LYS 28 2HG LYS 28 3.469 -5.545 -11.604 231 HD2 LYS 28 1HD LYS 28 3.326 -7.080 -9.773 232 HD3 LYS 28 2HD LYS 28 4.501 -5.836 -9.319 233 HE2 LYS 28 1HE LYS 28 2.818 -4.717 -7.906 234 HE3 LYS 28 2HE LYS 28 1.568 -5.841 -8.458 235 HZ1 LYS 28 1HZ LYS 28 2.785 -7.643 -7.389 236 HZ2 LYS 28 2HZ LYS 28 2.468 -6.491 -6.277 237 HZ3 LYS 28 3HZ LYS 28 3.973 -6.633 -6.903 238 HA PRO 29 HA PRO 29 1.371 1.056 -10.663 239 HB2 PRO 29 1HB PRO 29 -0.611 0.856 -8.768 240 HB3 PRO 29 2HB PRO 29 -0.919 0.727 -10.519 241 HG2 PRO 29 1HG PRO 29 -0.617 -1.497 -8.521 242 HG3 PRO 29 2HG PRO 29 -1.828 -1.339 -9.825 243 HD2 PRO 29 1HD PRO 29 0.432 -2.876 -10.047 244 HD3 PRO 29 2HD PRO 29 -0.303 -2.052 -11.452 245 H LEU 30 H LEU 30 2.246 2.340 -9.093 246 HA LEU 30 HA LEU 30 4.071 1.203 -7.212 247 HB2 LEU 30 1HB LEU 30 2.938 3.989 -7.592 248 HB3 LEU 30 2HB LEU 30 4.118 3.629 -6.333 249 HG LEU 30 HG LEU 30 4.665 2.942 -9.249 250 HD11 LEU 30 1HD1 LEU 30 5.955 5.052 -9.345 251 HD12 LEU 30 2HD1 LEU 30 5.279 5.522 -7.769 252 HD13 LEU 30 3HD1 LEU 30 4.208 5.313 -9.180 253 HD21 LEU 30 1HD2 LEU 30 6.491 3.427 -6.852 254 HD22 LEU 30 2HD2 LEU 30 7.023 3.070 -8.511 255 HD23 LEU 30 3HD2 LEU 30 6.142 1.851 -7.590 256 H SER 31 H SER 31 0.688 2.263 -6.765 257 HA SER 31 HA SER 31 0.547 2.097 -3.953 258 HB2 SER 31 1HB SER 31 -1.579 1.207 -5.942 259 HB3 SER 31 2HB SER 31 -1.843 1.729 -4.269 260 HG SER 31 HG SER 31 -1.216 3.808 -4.836 261 H ALA 32 H ALA 32 0.283 -0.579 -6.362 262 HA ALA 32 HA ALA 32 -0.180 -2.622 -4.340 263 HB1 ALA 32 1HB ALA 32 -0.924 -2.891 -6.675 264 HB2 ALA 32 2HB ALA 32 0.770 -2.850 -7.231 265 HB3 ALA 32 3HB ALA 32 0.197 -4.182 -6.207 266 H ILE 33 H ILE 33 2.735 -1.449 -6.106 267 HA ILE 33 HA ILE 33 4.585 -3.306 -4.976 268 HB ILE 33 HB ILE 33 4.936 -0.468 -5.996 269 HG12 ILE 33 1HG1 ILE 33 5.738 -3.095 -7.319 270 HG13 ILE 33 2HG1 ILE 33 4.140 -2.414 -7.552 271 HG21 ILE 33 1HG2 ILE 33 7.083 -2.523 -5.322 272 HG22 ILE 33 2HG2 ILE 33 7.362 -0.964 -6.132 273 HG23 ILE 33 3HG2 ILE 33 6.806 -0.999 -4.466 274 HD11 ILE 33 1HD1 ILE 33 6.698 -0.957 -8.279 275 HD12 ILE 33 2HD1 ILE 33 5.628 -1.823 -9.391 276 HD13 ILE 33 3HD1 ILE 33 5.039 -0.385 -8.544 277 H ILE 34 H ILE 34 3.643 -0.035 -3.801 278 HA ILE 34 HA ILE 34 5.227 -0.046 -1.437 279 HB ILE 34 HB ILE 34 2.647 1.371 -2.174 280 HG12 ILE 34 1HG1 ILE 34 5.418 2.588 -1.812 281 HG13 ILE 34 2HG1 ILE 34 4.971 1.838 -3.337 282 HG21 ILE 34 1HG2 ILE 34 2.698 1.283 0.279 283 HG22 ILE 34 2HG2 ILE 34 4.390 1.828 0.293 284 HG23 ILE 34 3HG2 ILE 34 3.086 2.905 -0.254 285 HD11 ILE 34 1HD1 ILE 34 4.598 4.242 -3.446 286 HD12 ILE 34 2HD1 ILE 34 3.056 3.378 -3.590 287 HD13 ILE 34 3HD1 ILE 34 3.482 4.168 -2.069 288 H LYS 35 H LYS 35 1.876 -1.314 -1.962 289 HA LYS 35 HA LYS 35 1.445 -2.213 0.709 290 HB2 LYS 35 1HB LYS 35 -0.243 -2.086 -1.150 291 HB3 LYS 35 2HB LYS 35 0.477 -3.525 -1.865 292 HG2 LYS 35 1HG LYS 35 -0.054 -4.832 0.185 293 HG3 LYS 35 2HG LYS 35 -0.683 -3.366 0.938 294 HD2 LYS 35 1HD LYS 35 -2.668 -4.113 0.201 295 HD3 LYS 35 2HD LYS 35 -2.209 -3.347 -1.313 296 HE2 LYS 35 1HE LYS 35 -1.849 -6.298 -0.581 297 HE3 LYS 35 2HE LYS 35 -3.157 -5.631 -1.559 298 HZ1 LYS 35 1HZ LYS 35 -1.407 -4.899 -3.169 299 HZ2 LYS 35 2HZ LYS 35 -1.510 -6.518 -3.012 300 HZ3 LYS 35 3HZ LYS 35 -0.275 -5.747 -2.314 301 H GLU 36 H GLU 36 3.123 -3.901 -2.016 302 HA GLU 36 HA GLU 36 3.596 -6.317 -0.534 303 HB2 GLU 36 1HB GLU 36 4.536 -5.058 -3.105 304 HB3 GLU 36 2HB GLU 36 5.540 -6.302 -2.399 305 HG2 GLU 36 1HG GLU 36 4.129 -7.348 -3.952 306 HG3 GLU 36 2HG GLU 36 3.612 -7.867 -2.354 307 H VAL 37 H VAL 37 5.453 -3.279 -0.773 308 HA VAL 37 HA VAL 37 7.734 -4.228 0.759 309 HB VAL 37 HB VAL 37 6.700 -1.389 0.409 310 HG11 VAL 37 1HG1 VAL 37 8.960 -0.701 1.054 311 HG12 VAL 37 2HG1 VAL 37 8.227 -1.634 2.363 312 HG13 VAL 37 3HG1 VAL 37 9.433 -2.397 1.319 313 HG21 VAL 37 1HG2 VAL 37 8.486 -1.204 -1.276 314 HG22 VAL 37 2HG2 VAL 37 8.873 -2.934 -1.063 315 HG23 VAL 37 3HG2 VAL 37 7.320 -2.433 -1.733 316 H CYS 38 H CYS 38 4.850 -2.314 1.674 317 HA CYS 38 HA CYS 38 5.397 -2.141 4.446 318 HB2 CYS 38 1HB CYS 38 2.708 -2.159 3.005 319 HB3 CYS 38 2HB CYS 38 2.938 -1.703 4.682 320 HG CYS 38 HG CYS 38 4.134 -0.328 1.934 321 H ASP 39 H ASP 39 3.478 -4.666 2.733 322 HA ASP 39 HA ASP 39 2.776 -6.209 5.002 323 HB2 ASP 39 1HB ASP 39 1.829 -6.414 2.711 324 HB3 ASP 39 2HB ASP 39 3.352 -7.111 2.149 325 H GLY 40 H GLY 40 5.849 -6.080 3.239 326 HA2 GLY 40 1HA GLY 40 7.092 -8.452 4.261 327 HA3 GLY 40 2HA GLY 40 7.903 -6.999 3.660 328 H TRP 41 H TRP 41 6.541 -5.297 5.743 329 HA TRP 41 HA TRP 41 7.928 -6.198 8.234 330 HB2 TRP 41 1HB TRP 41 7.407 -3.415 7.157 331 HB3 TRP 41 2HB TRP 41 7.989 -3.745 8.781 332 HD1 TRP 41 HD TRP 41 10.294 -5.586 8.599 333 HE1 TRP 41 1HE TRP 41 12.465 -5.054 7.331 334 HE3 TRP 41 3HE TRP 41 8.495 -2.082 5.316 335 HZ2 TRP 41 2HZ TRP 41 13.338 -3.253 5.287 336 HZ3 TRP 41 3HZ TRP 41 10.051 -0.954 3.731 337 HH2 TRP 41 HH TRP 41 12.452 -1.519 3.718 338 H SER 42 H SER 42 5.043 -6.618 7.122 339 HA SER 42 HA SER 42 2.909 -6.661 7.831 340 HB2 SER 42 1HB SER 42 4.097 -6.685 10.624 341 HB3 SER 42 2HB SER 42 2.461 -7.187 10.168 342 HG SER 42 HG SER 42 4.922 -8.373 9.359 343 H LEU 43 H LEU 43 3.997 -3.975 7.382 344 HA LEU 43 HA LEU 43 2.767 -2.143 9.291 345 HB2 LEU 43 1HB LEU 43 4.023 -1.836 6.552 346 HB3 LEU 43 2HB LEU 43 3.320 -0.475 7.382 347 HG LEU 43 HG LEU 43 5.538 -2.213 8.577 348 HD11 LEU 43 1HD1 LEU 43 6.295 -1.172 6.476 349 HD12 LEU 43 2HD1 LEU 43 7.105 -0.475 7.880 350 HD13 LEU 43 3HD1 LEU 43 5.793 0.422 7.084 351 HD21 LEU 43 1HD2 LEU 43 4.311 -0.862 10.251 352 HD22 LEU 43 2HD2 LEU 43 4.571 0.600 9.268 353 HD23 LEU 43 3HD2 LEU 43 5.948 -0.240 10.012 354 H ALA 44 H ALA 44 0.694 -1.739 9.446 355 HA ALA 44 HA ALA 44 -1.271 -2.390 7.399 356 HB1 ALA 44 1HB ALA 44 -2.857 -1.486 9.057 357 HB2 ALA 44 2HB ALA 44 -1.730 -2.622 9.821 358 HB3 ALA 44 3HB ALA 44 -1.511 -0.869 10.034 359 H ASN 45 H ASN 45 -2.855 -0.785 6.673 360 HA ASN 45 HA ASN 45 -3.439 1.019 5.431 361 HB2 ASN 45 1HB ASN 45 -2.058 2.611 7.619 362 HB3 ASN 45 2HB ASN 45 -3.384 3.138 6.589 363 HD21 ASN 45 1HD2 ASN 45 -5.463 1.727 6.778 364 HD22 ASN 45 2HD2 ASN 45 -5.844 1.201 8.409 365 H HIS 46 H HIS 46 -1.517 -0.035 4.024 366 HA HIS 46 HA HIS 46 0.826 1.455 3.471 367 HB2 HIS 46 1HB HIS 46 0.940 0.194 1.439 368 HB3 HIS 46 2HB HIS 46 0.344 -0.863 2.713 369 HD2 HIS 46 2HD HIS 46 -0.669 0.790 -0.575 370 HE1 HIS 46 1HE HIS 46 -4.037 -1.550 0.602 371 HE2 HIS 46 2HE HIS 46 -3.059 -0.111 -1.252 372 H GLU 47 H GLU 47 -2.453 2.261 2.663 373 HA GLU 47 HA GLU 47 -2.183 4.102 0.525 374 HB2 GLU 47 1HB GLU 47 -3.930 4.308 3.018 375 HB3 GLU 47 2HB GLU 47 -4.209 5.151 1.505 376 HG2 GLU 47 1HG GLU 47 -4.370 2.144 1.956 377 HG3 GLU 47 2HG GLU 47 -5.721 3.258 1.830 378 H TYR 48 H TYR 48 -0.997 4.392 3.805 379 HA TYR 48 HA TYR 48 -0.687 7.329 3.765 380 HB2 TYR 48 1HB TYR 48 0.142 5.119 5.692 381 HB3 TYR 48 2HB TYR 48 0.586 6.791 5.900 382 HD1 TYR 48 1HD TYR 48 -2.788 5.215 5.013 383 HD2 TYR 48 2HD TYR 48 -0.456 7.592 7.765 384 HE1 TYR 48 1HE TYR 48 -4.830 5.739 6.278 385 HE2 TYR 48 2HE TYR 48 -2.498 8.069 9.070 386 HH TYR 48 HH TYR 48 -4.770 7.733 9.266 387 H PHE 49 H PHE 49 1.092 4.665 2.513 388 HA PHE 49 HA PHE 49 3.727 5.885 3.054 389 HB2 PHE 49 1HB PHE 49 2.820 3.102 2.319 390 HB3 PHE 49 2HB PHE 49 4.501 3.595 2.240 391 HD1 PHE 49 1HD PHE 49 1.611 3.221 4.596 392 HD2 PHE 49 2HD PHE 49 5.859 3.839 4.176 393 HE1 PHE 49 1HE PHE 49 1.901 2.846 7.027 394 HE2 PHE 49 2HE PHE 49 6.138 3.488 6.611 395 HZ PHE 49 HZ PHE 49 4.172 2.982 8.045 396 H ALA 50 H ALA 50 5.383 5.869 1.605 397 HA ALA 50 HA ALA 50 4.943 5.629 -1.285 398 HB1 ALA 50 1HB ALA 50 6.054 7.822 -1.682 399 HB2 ALA 50 2HB ALA 50 4.494 8.010 -0.861 400 HB3 ALA 50 3HB ALA 50 6.010 8.155 0.063 401 H LEU 51 H LEU 51 6.888 5.227 -2.407 402 HA LEU 51 HA LEU 51 9.217 4.387 -0.762 403 HB2 LEU 51 1HB LEU 51 8.340 3.974 -3.627 404 HB3 LEU 51 2HB LEU 51 10.047 3.825 -3.213 405 HG LEU 51 HG LEU 51 7.873 2.248 -1.778 406 HD11 LEU 51 1HD1 LEU 51 7.873 1.655 -4.165 407 HD12 LEU 51 2HD1 LEU 51 8.566 0.344 -3.198 408 HD13 LEU 51 3HD1 LEU 51 9.635 1.420 -4.125 409 HD21 LEU 51 1HD2 LEU 51 10.036 2.439 -0.544 410 HD22 LEU 51 2HD2 LEU 51 10.901 1.852 -1.979 411 HD23 LEU 51 3HD2 LEU 51 9.751 0.806 -1.119 412 H GLN 52 H GLN 52 11.277 5.247 -1.136 413 HA GLN 52 HA GLN 52 11.543 7.792 -2.631 414 HB2 GLN 52 1HB GLN 52 10.660 8.347 -0.384 415 HB3 GLN 52 2HB GLN 52 11.973 7.438 0.360 416 HG2 GLN 52 1HG GLN 52 13.602 9.089 -0.640 417 HG3 GLN 52 2HG GLN 52 12.219 9.969 -1.304 418 HE21 GLN 52 1HE2 GLN 52 12.700 11.870 -0.111 419 HE22 GLN 52 2HE2 GLN 52 12.474 11.916 1.631 420 H HIS 53 H HIS 53 13.710 8.326 -3.095 421 HA HIS 53 HA HIS 53 15.574 6.087 -3.266 422 HB2 HIS 53 1HB HIS 53 15.708 9.012 -3.978 423 HB3 HIS 53 2HB HIS 53 17.176 8.036 -3.943 424 HD2 HIS 53 2HD HIS 53 14.058 8.576 -6.060 425 HE1 HIS 53 1HE HIS 53 16.372 5.598 -8.045 426 HE2 HIS 53 2HE HIS 53 14.366 7.159 -8.260 427 H ALA 54 H ALA 54 17.521 5.718 -2.255 428 HA ALA 54 HA ALA 54 18.251 7.411 0.084 429 HB1 ALA 54 1HB ALA 54 17.012 5.425 0.860 430 HB2 ALA 54 2HB ALA 54 18.173 4.376 0.018 431 HB3 ALA 54 3HB ALA 54 18.708 5.381 1.380 432 H ASP 55 H ASP 55 19.342 6.090 -2.846 433 HA ASP 55 HA ASP 55 22.192 5.966 -2.200 434 HB2 ASP 55 1HB ASP 55 20.599 5.975 -4.786 435 HB3 ASP 55 2HB ASP 55 22.362 6.048 -4.762 436 H SER 56 H SER 56 22.075 7.957 -0.977 437 HA SER 56 HA SER 56 22.638 10.066 -0.496 438 HB2 SER 56 1HB SER 56 23.615 10.337 -3.352 439 HB3 SER 56 2HB SER 56 23.923 11.462 -2.024 440 HG SER 56 HG SER 56 24.740 8.737 -2.207 441 H SER 57 H SER 57 20.938 10.082 -3.653 442 HA SER 57 HA SER 57 19.485 12.558 -3.116 443 HB2 SER 57 1HB SER 57 18.903 10.304 -5.078 444 HB3 SER 57 2HB SER 57 18.156 11.910 -5.079 445 HG SER 57 HG SER 57 20.164 12.822 -5.556 446 H ASN 58 H ASN 58 17.299 12.766 -2.564 447 HA ASN 58 HA ASN 58 15.873 10.409 -1.402 448 HB2 ASN 58 1HB ASN 58 16.235 13.115 -0.080 449 HB3 ASN 58 2HB ASN 58 15.206 11.807 0.502 450 HD21 ASN 58 1HD2 ASN 58 16.843 9.519 0.222 451 HD22 ASN 58 2HD2 ASN 58 18.186 9.765 1.331 452 H PHE 59 H PHE 59 15.455 11.455 -4.016 453 HA PHE 59 HA PHE 59 12.999 12.975 -4.062 454 HB2 PHE 59 1HB PHE 59 13.909 10.933 -6.109 455 HB3 PHE 59 2HB PHE 59 12.824 12.290 -6.357 456 HD1 PHE 59 1HD PHE 59 14.072 14.667 -5.476 457 HD2 PHE 59 2HD PHE 59 15.959 11.173 -7.168 458 HE1 PHE 59 1HE PHE 59 16.001 16.055 -6.200 459 HE2 PHE 59 2HE PHE 59 17.879 12.570 -7.898 460 HZ PHE 59 HZ PHE 59 17.906 15.008 -7.411 461 H TYR 60 H TYR 60 10.896 12.315 -3.794 462 HA TYR 60 HA TYR 60 10.229 9.636 -2.892 463 HB2 TYR 60 1HB TYR 60 8.494 11.948 -3.825 464 HB3 TYR 60 2HB TYR 60 7.875 10.431 -3.196 465 HD1 TYR 60 1HD TYR 60 8.218 9.769 -0.828 466 HD2 TYR 60 2HD TYR 60 9.370 13.658 -2.309 467 HE1 TYR 60 1HE TYR 60 8.273 10.655 1.507 468 HE2 TYR 60 2HE TYR 60 9.453 14.523 0.024 469 HH TYR 60 HH TYR 60 9.164 14.042 2.243 470 H ILE 61 H ILE 61 9.180 7.978 -4.068 471 HA ILE 61 HA ILE 61 9.656 7.979 -6.965 472 HB ILE 61 HB ILE 61 8.528 5.830 -5.156 473 HG12 ILE 61 1HG1 ILE 61 10.814 6.223 -4.514 474 HG13 ILE 61 2HG1 ILE 61 10.754 4.744 -5.448 475 HG21 ILE 61 1HG2 ILE 61 9.066 4.291 -7.047 476 HG22 ILE 61 2HG2 ILE 61 7.785 5.435 -7.435 477 HG23 ILE 61 3HG2 ILE 61 9.419 5.702 -8.067 478 HD11 ILE 61 1HD1 ILE 61 11.796 7.460 -6.367 479 HD12 ILE 61 2HD1 ILE 61 12.714 5.973 -6.072 480 HD13 ILE 61 3HD1 ILE 61 11.611 6.065 -7.454 481 H THR 62 H THR 62 8.216 7.972 -8.548 482 HA THR 62 HA THR 62 5.310 8.294 -8.135 483 HB THR 62 HB THR 62 5.195 10.355 -9.361 484 HG1 THR 62 1HG THR 62 7.120 11.418 -10.002 485 HG21 THR 62 1HG2 THR 62 7.426 10.827 -7.349 486 HG22 THR 62 2HG2 THR 62 5.706 10.653 -6.925 487 HG23 THR 62 3HG2 THR 62 6.235 11.997 -7.950 488 H GLU 63 H GLU 63 4.277 8.500 -10.453 489 HA GLU 63 HA GLU 63 5.097 6.345 -12.117 490 HB2 GLU 63 1HB GLU 63 3.390 8.780 -12.753 491 HB3 GLU 63 2HB GLU 63 3.538 7.344 -13.780 492 HG2 GLU 63 1HG GLU 63 2.721 5.934 -11.872 493 HG3 GLU 63 2HG GLU 63 2.403 7.409 -10.953 494 H LYS 64 H LYS 64 6.346 9.595 -12.021 495 HA LYS 64 HA LYS 64 7.859 9.258 -14.572 496 HB2 LYS 64 1HB LYS 64 7.801 11.563 -12.579 497 HB3 LYS 64 2HB LYS 64 8.673 11.542 -14.108 498 HG2 LYS 64 1HG LYS 64 5.647 11.453 -13.763 499 HG3 LYS 64 2HG LYS 64 6.615 12.832 -14.284 500 HD2 LYS 64 1HD LYS 64 7.369 11.495 -16.282 501 HD3 LYS 64 2HD LYS 64 6.232 10.220 -15.826 502 HE2 LYS 64 1HE LYS 64 5.474 13.115 -16.427 503 HE3 LYS 64 2HE LYS 64 5.404 11.798 -17.597 504 HZ1 LYS 64 1HZ LYS 64 3.780 10.681 -16.162 505 HZ2 LYS 64 2HZ LYS 64 3.242 12.156 -16.595 506 HZ3 LYS 64 3HZ LYS 64 3.815 11.918 -15.089 507 H ASN 65 H ASN 65 8.473 9.507 -11.057 508 HA ASN 65 HA ASN 65 11.362 9.437 -11.437 509 HB2 ASN 65 1HB ASN 65 9.620 9.349 -8.945 510 HB3 ASN 65 2HB ASN 65 11.378 9.388 -8.912 511 HD21 ASN 65 1HD2 ASN 65 10.074 11.317 -7.573 512 HD22 ASN 65 2HD2 ASN 65 10.242 12.845 -8.438 513 H ARG 66 H ARG 66 8.965 6.929 -10.919 514 HA ARG 66 HA ARG 66 10.619 4.833 -9.955 515 HB2 ARG 66 1HB ARG 66 8.972 3.337 -10.855 516 HB3 ARG 66 2HB ARG 66 8.166 4.724 -10.131 517 HG2 ARG 66 1HG ARG 66 7.840 5.723 -12.404 518 HG3 ARG 66 2HG ARG 66 8.618 4.338 -13.130 519 HD2 ARG 66 1HD ARG 66 6.020 4.365 -11.560 520 HD3 ARG 66 2HD ARG 66 6.209 4.105 -13.303 521 HE ARG 66 HE ARG 66 7.737 2.093 -12.142 522 HH11 ARG 66 1HH1 ARG 66 4.301 2.832 -12.290 523 HH12 ARG 66 2HH1 ARG 66 3.898 1.207 -11.753 524 HH21 ARG 66 1HH2 ARG 66 7.060 0.145 -11.286 525 HH22 ARG 66 2HH2 ARG 66 5.349 -0.218 -11.261 526 H ASN 67 H ASN 67 10.582 6.268 -13.131 527 HA ASN 67 HA ASN 67 11.981 4.120 -14.496 528 HB2 ASN 67 1HB ASN 67 11.687 7.055 -15.266 529 HB3 ASN 67 2HB ASN 67 12.124 5.726 -16.334 530 HD21 ASN 67 1HD2 ASN 67 9.530 7.512 -15.006 531 HD22 ASN 67 2HD2 ASN 67 8.220 6.485 -15.582 532 H GLU 68 H GLU 68 13.062 6.630 -12.336 533 HA GLU 68 HA GLU 68 15.855 6.624 -13.261 534 HB2 GLU 68 1HB GLU 68 14.668 7.672 -10.665 535 HB3 GLU 68 2HB GLU 68 16.269 8.006 -11.304 536 HG2 GLU 68 1HG GLU 68 13.605 8.932 -12.438 537 HG3 GLU 68 2HG GLU 68 14.859 9.914 -11.695 538 H ILE 69 H ILE 69 13.921 4.494 -11.378 539 HA ILE 69 HA ILE 69 16.003 3.455 -9.629 540 HB ILE 69 HB ILE 69 13.384 2.194 -10.519 541 HG12 ILE 69 1HG1 ILE 69 13.976 3.803 -7.986 542 HG13 ILE 69 2HG1 ILE 69 13.040 4.393 -9.358 543 HG21 ILE 69 1HG2 ILE 69 15.073 0.582 -9.600 544 HG22 ILE 69 2HG2 ILE 69 15.129 1.550 -8.112 545 HG23 ILE 69 3HG2 ILE 69 13.636 0.718 -8.608 546 HD11 ILE 69 1HD1 ILE 69 12.255 2.146 -7.489 547 HD12 ILE 69 2HD1 ILE 69 11.474 3.710 -7.702 548 HD13 ILE 69 3HD1 ILE 69 11.400 2.512 -9.008 549 H LYS 70 H LYS 70 17.487 1.999 -10.082 550 HA LYS 70 HA LYS 70 17.312 0.295 -12.538 551 HB2 LYS 70 1HB LYS 70 19.801 1.604 -11.348 552 HB3 LYS 70 2HB LYS 70 19.806 0.431 -12.669 553 HG2 LYS 70 1HG LYS 70 18.432 1.980 -14.054 554 HG3 LYS 70 2HG LYS 70 18.495 3.184 -12.752 555 HD2 LYS 70 1HD LYS 70 20.971 3.231 -12.907 556 HD3 LYS 70 2HD LYS 70 20.905 2.050 -14.235 557 HE2 LYS 70 1HE LYS 70 19.530 3.636 -15.567 558 HE3 LYS 70 2HE LYS 70 19.594 4.808 -14.244 559 HZ1 LYS 70 1HZ LYS 70 22.016 4.898 -14.530 560 HZ2 LYS 70 2HZ LYS 70 21.276 5.286 -15.931 561 HZ3 LYS 70 3HZ LYS 70 21.956 3.815 -15.753 562 H ASN 71 H ASN 71 18.678 -1.699 -12.384 563 HA ASN 71 HA ASN 71 17.911 -3.221 -10.097 564 HB2 ASN 71 1HB ASN 71 18.401 -4.042 -12.459 565 HB3 ASN 71 2HB ASN 71 20.121 -3.895 -12.089 566 HD21 ASN 71 1HD2 ASN 71 21.074 -5.604 -10.900 567 HD22 ASN 71 2HD2 ASN 71 20.128 -6.945 -10.271 568 H GLY 72 H GLY 72 18.729 -3.294 -8.120 569 HA2 GLY 72 1HA GLY 72 20.373 -3.452 -6.442 570 HA3 GLY 72 2HA GLY 72 21.594 -2.787 -7.523 571 H THR 73 H THR 73 18.742 -0.849 -7.614 572 HA THR 73 HA THR 73 19.963 1.400 -6.271 573 HB THR 73 HB THR 73 17.047 0.900 -6.954 574 HG1 THR 73 1HG THR 73 18.373 0.946 -8.713 575 HG21 THR 73 1HG2 THR 73 17.164 2.734 -5.315 576 HG22 THR 73 2HG2 THR 73 16.791 3.364 -6.919 577 HG23 THR 73 3HG2 THR 73 18.435 3.527 -6.269 578 H ILE 74 H ILE 74 19.972 2.042 -4.163 579 HA ILE 74 HA ILE 74 18.377 0.505 -2.193 580 HB ILE 74 HB ILE 74 20.398 2.677 -1.636 581 HG12 ILE 74 1HG1 ILE 74 20.792 -0.363 -1.544 582 HG13 ILE 74 2HG1 ILE 74 21.427 0.678 -2.817 583 HG21 ILE 74 1HG2 ILE 74 18.678 2.194 0.155 584 HG22 ILE 74 2HG2 ILE 74 19.201 0.507 0.158 585 HG23 ILE 74 3HG2 ILE 74 20.313 1.799 0.657 586 HD11 ILE 74 1HD1 ILE 74 23.205 0.255 -1.319 587 HD12 ILE 74 2HD1 ILE 74 22.726 1.955 -1.145 588 HD13 ILE 74 3HD1 ILE 74 22.255 0.758 0.091 589 H LEU 75 H LEU 75 16.522 1.157 -1.593 590 HA LEU 75 HA LEU 75 15.577 3.983 -1.850 591 HB2 LEU 75 1HB LEU 75 14.015 1.382 -1.849 592 HB3 LEU 75 2HB LEU 75 13.319 2.985 -2.020 593 HG LEU 75 HG LEU 75 15.156 1.628 -4.045 594 HD11 LEU 75 1HD1 LEU 75 13.158 1.455 -5.407 595 HD12 LEU 75 2HD1 LEU 75 12.181 2.260 -4.160 596 HD13 LEU 75 3HD1 LEU 75 12.878 0.654 -3.854 597 HD21 LEU 75 1HD2 LEU 75 13.674 4.297 -4.155 598 HD22 LEU 75 2HD2 LEU 75 14.456 3.504 -5.540 599 HD23 LEU 75 3HD2 LEU 75 15.437 4.053 -4.181 600 H ARG 76 H ARG 76 13.712 4.322 -0.265 601 HA ARG 76 HA ARG 76 13.868 2.819 2.271 602 HB2 ARG 76 1HB ARG 76 13.971 4.748 3.677 603 HB3 ARG 76 2HB ARG 76 15.353 4.779 2.580 604 HG2 ARG 76 1HG ARG 76 14.008 6.380 1.113 605 HG3 ARG 76 2HG ARG 76 12.838 6.493 2.433 606 HD2 ARG 76 1HD ARG 76 15.799 7.198 2.583 607 HD3 ARG 76 2HD ARG 76 14.490 8.359 2.454 608 HE ARG 76 HE ARG 76 15.333 6.864 4.834 609 HH11 ARG 76 1HH1 ARG 76 12.720 8.866 3.548 610 HH12 ARG 76 2HH1 ARG 76 12.082 9.149 5.146 611 HH21 ARG 76 1HH2 ARG 76 14.440 7.297 6.802 612 HH22 ARG 76 2HH2 ARG 76 13.022 8.294 6.918 613 H LEU 77 H LEU 77 12.006 2.742 3.399 614 HA LEU 77 HA LEU 77 9.517 3.523 1.970 615 HB2 LEU 77 1HB LEU 77 9.657 1.247 2.794 616 HB3 LEU 77 2HB LEU 77 10.028 1.804 4.426 617 HG LEU 77 HG LEU 77 7.732 2.853 4.463 618 HD11 LEU 77 1HD1 LEU 77 6.108 1.926 2.734 619 HD12 LEU 77 2HD1 LEU 77 7.487 1.298 1.830 620 HD13 LEU 77 3HD1 LEU 77 7.281 3.051 2.038 621 HD21 LEU 77 1HD2 LEU 77 7.828 -0.127 3.911 622 HD22 LEU 77 2HD2 LEU 77 6.539 0.740 4.767 623 HD23 LEU 77 3HD2 LEU 77 8.166 0.657 5.469 624 H THR 78 H THR 78 8.141 5.108 2.699 625 HA THR 78 HA THR 78 8.574 6.458 5.288 626 HB THR 78 HB THR 78 10.271 7.480 3.908 627 HG1 THR 78 1HG THR 78 9.506 9.618 4.013 628 HG21 THR 78 1HG2 THR 78 9.482 7.101 1.630 629 HG22 THR 78 2HG2 THR 78 9.743 8.815 1.894 630 HG23 THR 78 3HG2 THR 78 8.086 8.169 1.899 631 H THR 79 H THR 79 6.811 7.907 5.864 632 HA THR 79 HA THR 79 4.276 7.329 4.468 633 HB THR 79 HB THR 79 3.273 8.897 6.128 634 HG1 THR 79 1HG THR 79 5.175 9.998 6.736 635 HG21 THR 79 1HG2 THR 79 4.741 6.502 7.286 636 HG22 THR 79 2HG2 THR 79 3.191 6.459 6.413 637 HG23 THR 79 3HG2 THR 79 3.301 7.307 7.960 638 H SER 80 H SER 80 3.212 8.679 3.108 639 HA SER 80 HA SER 80 4.789 10.535 1.628 640 HB2 SER 80 1HB SER 80 3.146 9.396 0.427 641 HB3 SER 80 2HB SER 80 1.875 9.779 1.585 642 HG SER 80 HG SER 80 1.844 11.040 -0.400 643 HA PRO 81 HA PRO 81 4.145 14.250 4.025 644 HB2 PRO 81 1HB PRO 81 4.979 16.166 2.265 645 HB3 PRO 81 2HB PRO 81 6.088 14.977 3.007 646 HG2 PRO 81 1HG PRO 81 4.755 14.817 0.284 647 HG3 PRO 81 2HG PRO 81 6.495 14.626 0.679 648 HD2 PRO 81 1HD PRO 81 4.857 12.480 0.410 649 HD3 PRO 81 2HD PRO 81 6.134 12.502 1.659 650 H ALA 82 H ALA 82 2.268 13.489 1.254 651 HA ALA 82 HA ALA 82 0.429 15.816 1.611 652 HB1 ALA 82 1HB ALA 82 -0.224 15.303 -0.723 653 HB2 ALA 82 2HB ALA 82 1.525 15.582 -0.586 654 HB3 ALA 82 3HB ALA 82 0.892 13.926 -0.733 655 H GLN 83 H GLN 83 0.568 12.741 2.798 656 HA GLN 83 HA GLN 83 -1.869 11.626 1.818 657 HB2 GLN 83 1HB GLN 83 -1.367 9.753 3.100 658 HB3 GLN 83 2HB GLN 83 0.149 10.424 2.585 659 HG2 GLN 83 1HG GLN 83 0.654 9.940 4.767 660 HG3 GLN 83 2HG GLN 83 0.191 11.633 4.902 661 HE21 GLN 83 1HE2 GLN 83 -0.170 11.069 7.253 662 HE22 GLN 83 2HE2 GLN 83 -1.684 10.276 7.674 663 H ASN 84 H ASN 84 -1.285 13.554 4.750 664 HA ASN 84 HA ASN 84 -3.920 13.036 5.906 665 HB2 ASN 84 1HB ASN 84 -3.281 14.804 7.492 666 HB3 ASN 84 2HB ASN 84 -2.041 13.566 7.357 667 HD21 ASN 84 1HD2 ASN 84 -2.545 16.952 7.377 668 HD22 ASN 84 2HD2 ASN 84 -1.012 17.372 6.626 669 H ALA 85 H ALA 85 -2.465 15.579 3.933 670 HA ALA 85 HA ALA 85 -5.007 16.423 2.824 671 HB1 ALA 85 1HB ALA 85 -4.725 18.807 3.459 672 HB2 ALA 85 2HB ALA 85 -4.962 17.792 4.893 673 HB3 ALA 85 3HB ALA 85 -3.336 18.380 4.480 674 H GLN 86 H GLN 86 -4.673 17.236 0.765 675 HA GLN 86 HA GLN 86 -2.243 16.477 -0.463 676 HB2 GLN 86 1HB GLN 86 -4.551 18.129 -1.581 677 HB3 GLN 86 2HB GLN 86 -3.221 17.457 -2.514 678 HG2 GLN 86 1HG GLN 86 -4.905 15.905 -2.849 679 HG3 GLN 86 2HG GLN 86 -3.883 15.143 -1.641 680 HE21 GLN 86 1HE2 GLN 86 -6.112 13.883 -1.612 681 HE22 GLN 86 2HE2 GLN 86 -7.261 14.477 -0.421 682 H GLN 87 H GLN 87 -0.362 17.461 -0.736 683 HA GLN 87 HA GLN 87 0.100 20.223 -0.022 684 HB2 GLN 87 1HB GLN 87 1.656 18.296 0.336 685 HB3 GLN 87 2HB GLN 87 1.942 18.215 -1.397 686 HG2 GLN 87 1HG GLN 87 2.404 20.912 -0.186 687 HG3 GLN 87 2HG GLN 87 3.415 19.640 0.472 688 HE21 GLN 87 1HE2 GLN 87 2.570 21.294 -2.590 689 HE22 GLN 87 2HE2 GLN 87 4.103 20.887 -3.379 690 H LEU 88 H LEU 88 -0.836 18.714 -2.946 691 HA LEU 88 HA LEU 88 -0.574 21.201 -4.515 692 HB2 LEU 88 1HB LEU 88 1.535 19.870 -4.793 693 HB3 LEU 88 2HB LEU 88 0.563 18.545 -5.429 694 HG LEU 88 HG LEU 88 -0.195 20.063 -7.300 695 HD11 LEU 88 1HD1 LEU 88 1.907 21.941 -6.110 696 HD12 LEU 88 2HD1 LEU 88 0.170 22.287 -6.281 697 HD13 LEU 88 3HD1 LEU 88 1.174 22.113 -7.717 698 HD21 LEU 88 1HD2 LEU 88 1.657 18.501 -7.581 699 HD22 LEU 88 2HD2 LEU 88 2.789 19.694 -6.909 700 HD23 LEU 88 3HD2 LEU 88 1.984 20.000 -8.473 701 H HIS 89 H HIS 89 -2.192 21.436 -6.023 702 HA HIS 89 HA HIS 89 -4.162 19.211 -6.432 703 HB2 HIS 89 1HB HIS 89 -5.951 20.885 -6.096 704 HB3 HIS 89 2HB HIS 89 -4.966 20.636 -4.663 705 HD2 HIS 89 2HD HIS 89 -3.965 22.751 -3.543 706 HE1 HIS 89 1HE HIS 89 -4.490 25.573 -6.700 707 HE2 HIS 89 2HE HIS 89 -3.751 25.274 -4.280 708 H GLU 90 H GLU 90 -2.082 21.145 -8.083 709 HA GLU 90 HA GLU 90 -3.466 20.806 -10.642 710 HB2 GLU 90 1HB GLU 90 -4.337 22.961 -9.880 711 HB3 GLU 90 2HB GLU 90 -2.706 23.555 -9.549 712 HG2 GLU 90 1HG GLU 90 -2.139 23.543 -11.908 713 HG3 GLU 90 2HG GLU 90 -3.648 22.720 -12.319 714 H ARG 91 H ARG 91 -1.952 20.898 -12.432 715 HA ARG 91 HA ARG 91 0.777 20.220 -11.685 716 HB2 ARG 91 1HB ARG 91 -0.398 19.021 -13.458 717 HB3 ARG 91 2HB ARG 91 -0.509 20.487 -14.427 718 HG2 ARG 91 1HG ARG 91 1.262 18.907 -15.163 719 HG3 ARG 91 2HG ARG 91 1.890 20.507 -14.805 720 HD2 ARG 91 1HD ARG 91 2.776 19.723 -12.643 721 HD3 ARG 91 2HD ARG 91 2.040 18.141 -12.898 722 HE ARG 91 HE ARG 91 3.564 17.705 -14.709 723 HH11 ARG 91 1HH1 ARG 91 4.546 20.587 -12.903 724 HH12 ARG 91 2HH1 ARG 91 6.181 20.462 -13.483 725 HH21 ARG 91 1HH2 ARG 91 5.656 17.669 -15.402 726 HH22 ARG 91 2HH2 ARG 91 6.779 18.877 -14.852 727 H ILE 92 H ILE 92 1.142 22.213 -10.581 728 HA ILE 92 HA ILE 92 1.996 24.604 -12.016 729 HB ILE 92 HB ILE 92 2.725 23.491 -9.272 730 HG12 ILE 92 1HG1 ILE 92 0.762 25.675 -10.129 731 HG13 ILE 92 2HG1 ILE 92 0.324 24.067 -9.564 732 HG21 ILE 92 1HG2 ILE 92 3.566 25.763 -8.733 733 HG22 ILE 92 2HG2 ILE 92 4.512 25.025 -9.993 734 HG23 ILE 92 3HG2 ILE 92 3.300 26.266 -10.414 735 HD11 ILE 92 1HD1 ILE 92 -0.044 25.527 -7.747 736 HD12 ILE 92 2HD1 ILE 92 1.421 24.609 -7.348 737 HD13 ILE 92 3HD1 ILE 92 1.539 26.295 -7.911 738 H GLN 93 H GLN 93 4.270 25.164 -12.472 739 HA GLN 93 HA GLN 93 5.508 23.248 -14.087 740 HB2 GLN 93 1HB GLN 93 6.729 25.721 -12.798 741 HB3 GLN 93 2HB GLN 93 7.452 24.834 -14.135 742 HG2 GLN 93 1HG GLN 93 4.752 26.260 -14.225 743 HG3 GLN 93 2HG GLN 93 6.262 26.883 -14.866 744 HE21 GLN 93 1HE2 GLN 93 4.016 26.654 -16.525 745 HE22 GLN 93 2HE2 GLN 93 4.340 25.388 -17.702 746 H SER 94 H SER 94 6.158 23.841 -10.675 747 HA SER 94 HA SER 94 7.570 21.258 -10.533 748 HB2 SER 94 1HB SER 94 9.385 22.933 -10.625 749 HB3 SER 94 2HB SER 94 8.674 23.772 -9.231 750 HG SER 94 HG SER 94 10.335 22.316 -8.609 751 H SER 95 H SER 95 7.358 20.229 -8.496 752 HA SER 95 HA SER 95 4.794 20.618 -7.302 753 HB2 SER 95 1HB SER 95 7.099 18.898 -6.309 754 HB3 SER 95 2HB SER 95 5.384 18.694 -5.915 755 HG SER 95 HG SER 95 4.975 18.141 -8.056 756 H SER 96 H SER 96 7.823 22.024 -6.423 757 HA SER 96 HA SER 96 6.665 23.347 -4.081 758 HB2 SER 96 1HB SER 96 8.460 22.639 -2.546 759 HB3 SER 96 2HB SER 96 7.463 21.277 -3.065 760 HG SER 96 HG SER 96 10.120 21.639 -3.335 761 H MET 97 H MET 97 8.025 25.089 -3.262 762 HA MET 97 HA MET 97 9.363 26.543 -5.387 763 HB2 MET 97 1HB MET 97 9.087 27.132 -2.412 764 HB3 MET 97 2HB MET 97 9.746 28.245 -3.619 765 HG2 MET 97 1HG MET 97 7.589 28.176 -4.857 766 HG3 MET 97 2HG MET 97 6.928 27.100 -3.627 767 HE1 MET 97 1HE MET 97 7.822 31.617 -3.073 768 HE2 MET 97 2HE MET 97 9.149 30.462 -3.304 769 HE3 MET 97 3HE MET 97 7.957 30.719 -4.600 770 H ASP 98 H ASP 98 10.519 24.452 -2.848 771 HA ASP 98 HA ASP 98 13.298 24.693 -3.833 772 HB2 ASP 98 1HB ASP 98 12.539 24.769 -0.885 773 HB3 ASP 98 2HB ASP 98 14.172 24.593 -1.517 774 H ALA 99 H ALA 99 14.515 22.786 -3.616 775 HA ALA 99 HA ALA 99 12.965 20.335 -3.618 776 HB1 ALA 99 1HB ALA 99 15.963 20.833 -3.879 777 HB2 ALA 99 2HB ALA 99 15.106 19.334 -4.297 778 HB3 ALA 99 3HB ALA 99 14.788 20.814 -5.217 779 H LYS 100 H LYS 100 14.378 22.001 -1.027 780 HA LYS 100 HA LYS 100 15.591 19.862 0.466 781 HB2 LYS 100 1HB LYS 100 14.463 22.523 1.438 782 HB3 LYS 100 2HB LYS 100 15.522 21.467 2.363 783 HG2 LYS 100 1HG LYS 100 16.267 22.927 -0.211 784 HG3 LYS 100 2HG LYS 100 16.718 23.381 1.431 785 HD2 LYS 100 1HD LYS 100 17.975 21.201 1.654 786 HD3 LYS 100 2HD LYS 100 17.565 20.840 -0.028 787 HE2 LYS 100 1HE LYS 100 19.775 21.691 -0.052 788 HE3 LYS 100 2HE LYS 100 18.732 22.929 -0.752 789 HZ1 LYS 100 1HZ LYS 100 18.820 24.107 1.390 790 HZ2 LYS 100 2HZ LYS 100 20.331 23.861 0.834 791 HZ3 LYS 100 3HZ LYS 100 19.755 22.935 2.046 792 H LEU 101 H LEU 101 14.907 18.556 2.028 793 HA LEU 101 HA LEU 101 12.024 18.152 2.512 794 HB2 LEU 101 1HB LEU 101 14.477 16.757 3.653 795 HB3 LEU 101 2HB LEU 101 12.807 16.266 3.920 796 HG LEU 101 HG LEU 101 14.221 16.273 1.210 797 HD11 LEU 101 1HD1 LEU 101 15.066 14.545 2.752 798 HD12 LEU 101 2HD1 LEU 101 14.135 13.834 1.426 799 HD13 LEU 101 3HD1 LEU 101 13.404 13.982 3.043 800 HD21 LEU 101 1HD2 LEU 101 12.250 14.949 0.459 801 HD22 LEU 101 2HD2 LEU 101 11.799 16.595 0.911 802 HD23 LEU 101 3HD2 LEU 101 11.464 15.247 2.026 803 H GLU 102 H GLU 102 11.183 18.012 4.716 804 HA GLU 102 HA GLU 102 12.397 19.849 6.714 805 HB2 GLU 102 1HB GLU 102 9.677 20.166 5.383 806 HB3 GLU 102 2HB GLU 102 10.052 20.908 6.929 807 HG2 GLU 102 1HG GLU 102 11.488 21.467 4.305 808 HG3 GLU 102 2HG GLU 102 10.270 22.480 5.064 809 H ALA 103 H ALA 103 11.266 19.832 8.790 810 HA ALA 103 HA ALA 103 10.579 17.134 9.635 811 HB1 ALA 103 1HB ALA 103 12.058 18.590 10.968 812 HB2 ALA 103 2HB ALA 103 10.734 19.759 11.183 813 HB3 ALA 103 3HB ALA 103 10.614 18.133 11.889 814 H LEU 104 H LEU 104 8.716 17.429 7.942 815 HA LEU 104 HA LEU 104 6.427 18.971 8.533 816 HB2 LEU 104 1HB LEU 104 6.675 16.424 6.886 817 HB3 LEU 104 2HB LEU 104 5.313 17.540 6.813 818 HG LEU 104 HG LEU 104 8.182 18.267 6.073 819 HD11 LEU 104 1HD1 LEU 104 7.373 18.224 3.752 820 HD12 LEU 104 2HD1 LEU 104 5.776 17.669 4.308 821 HD13 LEU 104 3HD1 LEU 104 7.209 16.635 4.516 822 HD21 LEU 104 1HD2 LEU 104 6.913 20.253 6.775 823 HD22 LEU 104 2HD2 LEU 104 5.565 19.790 5.709 824 HD23 LEU 104 3HD2 LEU 104 7.134 20.263 5.025 825 H LYS 105 H LYS 105 7.326 16.105 10.125 826 HA LYS 105 HA LYS 105 4.792 15.101 10.997 827 HB2 LYS 105 1HB LYS 105 6.013 14.080 12.822 828 HB3 LYS 105 2HB LYS 105 6.914 13.907 11.318 829 HG2 LYS 105 1HG LYS 105 8.413 15.790 12.006 830 HG3 LYS 105 2HG LYS 105 7.502 15.946 13.521 831 HD2 LYS 105 1HD LYS 105 8.109 13.618 14.128 832 HD3 LYS 105 2HD LYS 105 9.046 13.475 12.624 833 HE2 LYS 105 1HE LYS 105 10.486 15.366 13.340 834 HE3 LYS 105 2HE LYS 105 9.542 15.534 14.825 835 HZ1 LYS 105 1HZ LYS 105 11.557 14.235 15.204 836 HZ2 LYS 105 2HZ LYS 105 11.126 13.131 14.083 837 HZ3 LYS 105 3HZ LYS 105 10.252 13.289 15.456 838 H ASP 106 H ASP 106 6.518 17.998 11.992 839 HA ASP 106 HA ASP 106 4.860 18.521 14.336 840 HB2 ASP 106 1HB ASP 106 7.208 19.341 13.984 841 HB3 ASP 106 2HB ASP 106 6.619 20.382 12.686 842 H LEU 107 H LEU 107 4.654 19.251 10.912 843 HA LEU 107 HA LEU 107 2.487 21.227 11.194 844 HB2 LEU 107 1HB LEU 107 4.344 21.545 9.593 845 HB3 LEU 107 2HB LEU 107 3.918 20.038 8.786 846 HG LEU 107 HG LEU 107 1.749 21.015 8.072 847 HD11 LEU 107 1HD1 LEU 107 2.823 23.575 9.347 848 HD12 LEU 107 2HD1 LEU 107 1.371 22.680 9.852 849 HD13 LEU 107 3HD1 LEU 107 1.407 23.472 8.276 850 HD21 LEU 107 1HD2 LEU 107 2.681 22.580 6.427 851 HD22 LEU 107 2HD2 LEU 107 3.724 21.164 6.621 852 HD23 LEU 107 3HD2 LEU 107 4.180 22.708 7.375 853 H ALA 108 H ALA 108 2.863 17.823 10.371 854 HA ALA 108 HA ALA 108 0.572 17.339 8.903 855 HB1 ALA 108 1HB ALA 108 2.439 15.768 9.166 856 HB2 ALA 108 2HB ALA 108 1.986 15.486 10.864 857 HB3 ALA 108 3HB ALA 108 0.900 14.978 9.551 858 H SER 109 H SER 109 -1.487 16.746 9.224 859 HA SER 109 HA SER 109 -2.887 17.789 11.469 860 HB2 SER 109 1HB SER 109 -3.976 15.905 9.363 861 HB3 SER 109 2HB SER 109 -4.870 17.139 10.261 862 HG SER 109 HG SER 109 -3.791 18.725 9.108 863 H LEU 110 H LEU 110 -1.512 14.688 11.127 864 HA LEU 110 HA LEU 110 -1.660 12.681 12.106 865 HB2 LEU 110 1HB LEU 110 -3.029 14.047 14.433 866 HB3 LEU 110 2HB LEU 110 -2.152 12.524 14.456 867 HG LEU 110 HG LEU 110 -0.932 15.281 13.989 868 HD11 LEU 110 1HD1 LEU 110 -1.646 14.852 16.307 869 HD12 LEU 110 2HD1 LEU 110 0.119 14.908 16.170 870 HD13 LEU 110 3HD1 LEU 110 -0.707 13.341 16.323 871 HD21 LEU 110 1HD2 LEU 110 0.367 13.594 12.747 872 HD22 LEU 110 2HD2 LEU 110 0.415 12.549 14.187 873 HD23 LEU 110 3HD2 LEU 110 1.253 14.117 14.180 874 H SER 111 H SER 111 -4.208 13.837 10.699 875 HA SER 111 HA SER 111 -5.623 11.319 10.589 876 HB2 SER 111 1HB SER 111 -6.669 12.400 12.617 877 HB3 SER 111 2HB SER 111 -7.121 13.776 11.597 878 HG SER 111 HG SER 111 -8.070 11.105 11.564 879 H ARG 112 H ARG 112 -7.235 11.388 8.789 880 HA ARG 112 HA ARG 112 -6.285 13.177 6.627 881 HB2 ARG 112 1HB ARG 112 -8.146 10.766 6.588 882 HB3 ARG 112 2HB ARG 112 -7.716 11.741 5.172 883 HG2 ARG 112 1HG ARG 112 -5.297 11.273 5.624 884 HG3 ARG 112 2HG ARG 112 -5.773 10.156 6.913 885 HD2 ARG 112 1HD ARG 112 -6.905 8.711 5.318 886 HD3 ARG 112 2HD ARG 112 -6.680 9.910 4.022 887 HE ARG 112 HE ARG 112 -4.157 9.158 5.224 888 HH11 ARG 112 1HH1 ARG 112 -6.385 8.069 2.724 889 HH12 ARG 112 2HH1 ARG 112 -5.082 7.380 1.793 890 HH21 ARG 112 1HH2 ARG 112 -2.688 8.298 4.110 891 HH22 ARG 112 2HH2 ARG 112 -2.957 7.501 2.560 892 H ASP 113 H ASP 113 -7.312 14.781 5.715 893 HA ASP 113 HA ASP 113 -9.877 15.795 6.724 894 HB2 ASP 113 1HB ASP 113 -8.029 16.707 4.496 895 HB3 ASP 113 2HB ASP 113 -9.573 17.470 4.850 Start of MODEL 13 1 H1 GLY 0 1H GLY 0 27.634 -4.811 -28.857 2 H2 GLY 0 2H GLY 0 26.092 -5.357 -28.750 3 H3 GLY 0 3H GLY 0 27.338 -6.362 -28.412 4 HA2 GLY 0 1HA GLY 0 27.963 -5.048 -26.491 5 HA3 GLY 0 2HA GLY 0 26.605 -3.967 -26.856 6 H MET 1 H MET 1 26.183 -4.621 -24.521 7 HA MET 1 HA MET 1 25.151 -7.251 -23.936 8 HB2 MET 1 1HB MET 1 24.874 -4.592 -22.487 9 HB3 MET 1 2HB MET 1 24.300 -6.128 -21.839 10 HG2 MET 1 1HG MET 1 27.195 -5.533 -22.566 11 HG3 MET 1 2HG MET 1 26.506 -5.448 -20.948 12 HE1 MET 1 1HE MET 1 28.849 -8.574 -20.726 13 HE2 MET 1 2HE MET 1 29.124 -7.095 -21.674 14 HE3 MET 1 3HE MET 1 28.437 -6.990 -20.036 15 HA PRO 2 HA PRO 2 20.934 -6.992 -25.290 16 HB2 PRO 2 1HB PRO 2 20.142 -8.088 -22.593 17 HB3 PRO 2 2HB PRO 2 19.647 -8.641 -24.224 18 HG2 PRO 2 1HG PRO 2 21.537 -10.004 -22.850 19 HG3 PRO 2 2HG PRO 2 21.777 -9.670 -24.598 20 HD2 PRO 2 1HD PRO 2 22.917 -8.161 -22.224 21 HD3 PRO 2 2HD PRO 2 23.743 -8.751 -23.698 22 HA PRO 3 HA PRO 3 19.029 -3.306 -23.683 23 HB2 PRO 3 1HB PRO 3 16.354 -4.637 -24.102 24 HB3 PRO 3 2HB PRO 3 16.901 -3.013 -24.625 25 HG2 PRO 3 1HG PRO 3 16.812 -5.050 -26.404 26 HG3 PRO 3 2HG PRO 3 18.230 -3.950 -26.383 27 HD2 PRO 3 1HD PRO 3 17.968 -6.697 -25.119 28 HD3 PRO 3 2HD PRO 3 19.289 -6.030 -26.128 29 HA PRO 4 HA PRO 4 18.005 -3.912 -19.371 30 HB2 PRO 4 1HB PRO 4 16.169 -1.534 -19.647 31 HB3 PRO 4 2HB PRO 4 17.424 -1.855 -18.410 32 HG2 PRO 4 1HG PRO 4 17.928 -0.136 -20.438 33 HG3 PRO 4 2HG PRO 4 19.178 -1.331 -19.954 34 HD2 PRO 4 1HD PRO 4 17.210 -1.502 -22.259 35 HD3 PRO 4 2HD PRO 4 18.972 -1.823 -22.239 36 H ALA 5 H ALA 5 16.482 -4.876 -18.049 37 HA ALA 5 HA ALA 5 14.076 -5.990 -19.245 38 HB1 ALA 5 1HB ALA 5 15.508 -7.279 -17.710 39 HB2 ALA 5 2HB ALA 5 15.176 -6.117 -16.405 40 HB3 ALA 5 3HB ALA 5 13.865 -7.121 -17.062 41 H ASP 6 H ASP 6 11.937 -5.843 -18.312 42 HA ASP 6 HA ASP 6 11.155 -3.151 -17.416 43 HB2 ASP 6 1HB ASP 6 8.856 -3.941 -17.803 44 HB3 ASP 6 2HB ASP 6 9.882 -4.081 -19.217 45 H ILE 7 H ILE 7 12.477 -5.426 -15.743 46 HA ILE 7 HA ILE 7 11.001 -4.792 -13.262 47 HB ILE 7 HB ILE 7 11.925 -7.609 -13.920 48 HG12 ILE 7 1HG1 ILE 7 9.094 -6.490 -13.752 49 HG13 ILE 7 2HG1 ILE 7 9.892 -7.121 -15.187 50 HG21 ILE 7 1HG2 ILE 7 10.910 -8.221 -11.752 51 HG22 ILE 7 2HG2 ILE 7 12.170 -7.034 -11.532 52 HG23 ILE 7 3HG2 ILE 7 10.465 -6.523 -11.472 53 HD11 ILE 7 1HD1 ILE 7 8.367 -8.780 -14.451 54 HD12 ILE 7 2HD1 ILE 7 9.999 -9.380 -14.090 55 HD13 ILE 7 3HD1 ILE 7 8.966 -8.726 -12.790 56 H VAL 8 H VAL 8 12.362 -4.269 -11.618 57 HA VAL 8 HA VAL 8 15.294 -4.781 -11.908 58 HB VAL 8 HB VAL 8 15.691 -2.480 -11.068 59 HG11 VAL 8 1HG1 VAL 8 16.003 -3.089 -13.438 60 HG12 VAL 8 2HG1 VAL 8 14.316 -2.645 -13.777 61 HG13 VAL 8 3HG1 VAL 8 15.471 -1.407 -13.263 62 HG21 VAL 8 1HG2 VAL 8 13.522 -1.823 -10.184 63 HG22 VAL 8 2HG2 VAL 8 14.010 -0.719 -11.472 64 HG23 VAL 8 3HG2 VAL 8 12.783 -1.952 -11.797 65 H LYS 9 H LYS 9 16.353 -5.402 -10.141 66 HA LYS 9 HA LYS 9 14.881 -5.838 -7.646 67 HB2 LYS 9 1HB LYS 9 16.572 -7.432 -8.704 68 HB3 LYS 9 2HB LYS 9 17.840 -6.328 -8.143 69 HG2 LYS 9 1HG LYS 9 17.008 -6.631 -5.793 70 HG3 LYS 9 2HG LYS 9 15.741 -7.704 -6.403 71 HD2 LYS 9 1HD LYS 9 17.620 -9.193 -7.340 72 HD3 LYS 9 2HD LYS 9 18.751 -8.144 -6.474 73 HE2 LYS 9 1HE LYS 9 18.432 -9.893 -4.962 74 HE3 LYS 9 2HE LYS 9 17.336 -8.644 -4.360 75 HZ1 LYS 9 1HZ LYS 9 16.206 -10.778 -4.436 76 HZ2 LYS 9 2HZ LYS 9 16.578 -11.004 -6.006 77 HZ3 LYS 9 3HZ LYS 9 15.514 -9.844 -5.591 78 H VAL 10 H VAL 10 15.127 -4.833 -5.714 79 HA VAL 10 HA VAL 10 16.990 -2.526 -5.422 80 HB VAL 10 HB VAL 10 15.196 -1.115 -4.556 81 HG11 VAL 10 1HG1 VAL 10 14.227 -0.447 -6.624 82 HG12 VAL 10 2HG1 VAL 10 15.852 -1.047 -6.989 83 HG13 VAL 10 3HG1 VAL 10 14.434 -2.053 -7.347 84 HG21 VAL 10 1HG2 VAL 10 13.230 -3.233 -5.521 85 HG22 VAL 10 2HG2 VAL 10 13.569 -2.844 -3.822 86 HG23 VAL 10 3HG2 VAL 10 12.832 -1.633 -4.872 87 H ALA 11 H ALA 11 17.261 -1.787 -3.252 88 HA ALA 11 HA ALA 11 16.519 -3.769 -1.122 89 HB1 ALA 11 1HB ALA 11 19.060 -2.101 -1.329 90 HB2 ALA 11 2HB ALA 11 18.631 -3.226 -0.020 91 HB3 ALA 11 3HB ALA 11 18.939 -3.842 -1.656 92 H ILE 12 H ILE 12 15.034 -2.916 0.200 93 HA ILE 12 HA ILE 12 14.752 0.037 0.375 94 HB ILE 12 HB ILE 12 12.768 -2.127 1.080 95 HG12 ILE 12 1HG1 ILE 12 12.651 -0.378 -1.407 96 HG13 ILE 12 2HG1 ILE 12 13.455 -1.944 -1.446 97 HG21 ILE 12 1HG2 ILE 12 11.116 -0.276 1.086 98 HG22 ILE 12 2HG2 ILE 12 12.382 0.072 2.240 99 HG23 ILE 12 3HG2 ILE 12 12.389 0.883 0.664 100 HD11 ILE 12 1HD1 ILE 12 11.441 -3.088 -0.720 101 HD12 ILE 12 2HD1 ILE 12 10.575 -1.537 -0.658 102 HD13 ILE 12 3HD1 ILE 12 11.173 -2.147 -2.210 103 H GLU 13 H GLU 13 15.218 1.080 2.162 104 HA GLU 13 HA GLU 13 15.816 -0.326 4.692 105 HB2 GLU 13 1HB GLU 13 16.083 2.602 3.905 106 HB3 GLU 13 2HB GLU 13 16.579 1.891 5.450 107 HG2 GLU 13 1HG GLU 13 18.065 0.301 4.128 108 HG3 GLU 13 2HG GLU 13 17.750 1.295 2.703 109 H TRP 14 H TRP 14 14.881 0.056 6.665 110 HA TRP 14 HA TRP 14 12.749 1.998 7.029 111 HB2 TRP 14 1HB TRP 14 11.454 0.110 6.241 112 HB3 TRP 14 2HB TRP 14 12.243 -0.973 7.385 113 HD1 TRP 14 HD TRP 14 11.150 -1.225 9.685 114 HE1 TRP 14 1HE TRP 14 9.210 -0.130 10.960 115 HE3 TRP 14 3HE TRP 14 10.195 2.645 6.496 116 HZ2 TRP 14 2HZ TRP 14 7.481 2.171 10.644 117 HZ3 TRP 14 3HZ TRP 14 8.442 4.319 7.030 118 HH2 TRP 14 HH TRP 14 7.073 4.089 9.093 119 HA PRO 15 HA PRO 15 15.088 2.281 10.747 120 HB2 PRO 15 1HB PRO 15 12.550 3.100 12.159 121 HB3 PRO 15 2HB PRO 15 14.161 3.885 12.178 122 HG2 PRO 15 1HG PRO 15 12.202 4.903 10.624 123 HG3 PRO 15 2HG PRO 15 13.852 4.714 9.937 124 HD2 PRO 15 1HD PRO 15 11.481 2.848 9.673 125 HD3 PRO 15 2HD PRO 15 12.525 3.503 8.378 126 H GLY 16 H GLY 16 15.788 0.982 12.369 127 HA2 GLY 16 1HA GLY 16 15.874 -0.689 13.946 128 HA3 GLY 16 2HA GLY 16 14.115 -0.645 14.060 129 H ALA 17 H ALA 17 15.233 -1.271 10.845 130 HA ALA 17 HA ALA 17 15.075 -4.228 11.177 131 HB1 ALA 17 1HB ALA 17 13.512 -2.578 9.144 132 HB2 ALA 17 2HB ALA 17 13.524 -4.346 9.288 133 HB3 ALA 17 3HB ALA 17 12.825 -3.362 10.587 134 H TYR 18 H TYR 18 16.019 -5.471 9.536 135 HA TYR 18 HA TYR 18 18.303 -4.349 8.159 136 HB2 TYR 18 1HB TYR 18 16.960 -7.057 7.878 137 HB3 TYR 18 2HB TYR 18 18.527 -6.621 7.211 138 HD1 TYR 18 1HD TYR 18 16.812 -7.952 10.085 139 HD2 TYR 18 2HD TYR 18 20.387 -5.866 8.853 140 HE1 TYR 18 1HE TYR 18 17.933 -8.625 12.200 141 HE2 TYR 18 2HE TYR 18 21.508 -6.547 10.977 142 HH TYR 18 HH TYR 18 19.846 -8.531 13.459 143 HA PRO 19 HA PRO 19 16.371 -3.016 4.444 144 HB2 PRO 19 1HB PRO 19 18.632 -4.271 2.891 145 HB3 PRO 19 2HB PRO 19 17.953 -2.616 2.769 146 HG2 PRO 19 1HG PRO 19 20.263 -3.040 4.118 147 HG3 PRO 19 2HG PRO 19 19.013 -1.955 4.811 148 HD2 PRO 19 1HD PRO 19 19.556 -4.863 5.489 149 HD3 PRO 19 2HD PRO 19 19.298 -3.467 6.581 150 H LYS 20 H LYS 20 14.729 -3.744 3.249 151 HA LYS 20 HA LYS 20 14.280 -6.636 2.793 152 HB2 LYS 20 1HB LYS 20 12.440 -5.372 3.644 153 HB3 LYS 20 2HB LYS 20 12.588 -4.144 2.376 154 HG2 LYS 20 1HG LYS 20 11.842 -5.697 0.680 155 HG3 LYS 20 2HG LYS 20 11.902 -7.058 1.823 156 HD2 LYS 20 1HD LYS 20 10.075 -6.085 3.136 157 HD3 LYS 20 2HD LYS 20 10.112 -4.612 2.168 158 HE2 LYS 20 1HE LYS 20 8.224 -5.969 1.500 159 HE3 LYS 20 2HE LYS 20 9.377 -5.831 0.170 160 HZ1 LYS 20 1HZ LYS 20 9.154 -8.196 1.966 161 HZ2 LYS 20 2HZ LYS 20 10.145 -8.079 0.669 162 HZ3 LYS 20 3HZ LYS 20 8.526 -8.101 0.465 163 H LEU 21 H LEU 21 15.255 -7.535 1.115 164 HA LEU 21 HA LEU 21 15.720 -6.125 -1.431 165 HB2 LEU 21 1HB LEU 21 16.115 -8.996 -0.511 166 HB3 LEU 21 2HB LEU 21 16.415 -8.475 -2.165 167 HG LEU 21 HG LEU 21 17.825 -7.199 0.219 168 HD11 LEU 21 1HD1 LEU 21 19.748 -8.634 -0.337 169 HD12 LEU 21 2HD1 LEU 21 18.776 -9.486 -1.558 170 HD13 LEU 21 3HD1 LEU 21 18.354 -9.602 0.165 171 HD21 LEU 21 1HD2 LEU 21 18.531 -7.306 -2.753 172 HD22 LEU 21 2HD2 LEU 21 19.450 -6.482 -1.476 173 HD23 LEU 21 3HD2 LEU 21 17.839 -5.903 -1.922 174 H MET 22 H MET 22 14.282 -6.005 -3.055 175 HA MET 22 HA MET 22 12.434 -8.180 -3.615 176 HB2 MET 22 1HB MET 22 10.379 -7.075 -3.386 177 HB3 MET 22 2HB MET 22 11.209 -6.779 -1.864 178 HG2 MET 22 1HG MET 22 11.764 -4.526 -2.540 179 HG3 MET 22 2HG MET 22 11.045 -4.762 -4.136 180 HE1 MET 22 1HE MET 22 7.251 -4.759 -3.587 181 HE2 MET 22 2HE MET 22 8.602 -4.620 -4.733 182 HE3 MET 22 3HE MET 22 8.296 -6.160 -3.900 183 H GLU 23 H GLU 23 10.931 -7.416 -5.571 184 HA GLU 23 HA GLU 23 12.650 -5.905 -7.489 185 HB2 GLU 23 1HB GLU 23 10.729 -8.189 -8.057 186 HB3 GLU 23 2HB GLU 23 11.586 -7.211 -9.238 187 HG2 GLU 23 1HG GLU 23 12.903 -9.113 -9.094 188 HG3 GLU 23 2HG GLU 23 13.773 -7.919 -8.145 189 H ILE 24 H ILE 24 11.883 -4.273 -8.552 190 HA ILE 24 HA ILE 24 9.046 -3.401 -8.220 191 HB ILE 24 HB ILE 24 11.615 -1.939 -8.875 192 HG12 ILE 24 1HG1 ILE 24 9.440 -1.711 -6.749 193 HG13 ILE 24 2HG1 ILE 24 11.066 -2.333 -6.523 194 HG21 ILE 24 1HG2 ILE 24 9.922 -1.106 -10.502 195 HG22 ILE 24 2HG2 ILE 24 8.814 -0.765 -9.156 196 HG23 ILE 24 3HG2 ILE 24 10.350 0.105 -9.314 197 HD11 ILE 24 1HD1 ILE 24 10.280 0.554 -7.049 198 HD12 ILE 24 2HD1 ILE 24 10.973 -0.147 -5.580 199 HD13 ILE 24 3HD1 ILE 24 11.960 -0.048 -7.049 200 H ASP 25 H ASP 25 7.799 -4.217 -9.666 201 HA ASP 25 HA ASP 25 8.664 -4.839 -12.422 202 HB2 ASP 25 1HB ASP 25 7.355 -6.459 -11.155 203 HB3 ASP 25 2HB ASP 25 6.091 -5.274 -10.864 204 H GLN 26 H GLN 26 8.581 -3.289 -13.943 205 HA GLN 26 HA GLN 26 7.266 -0.770 -13.400 206 HB2 GLN 26 1HB GLN 26 8.630 -1.702 -15.926 207 HB3 GLN 26 2HB GLN 26 8.155 -0.048 -15.562 208 HG2 GLN 26 1HG GLN 26 10.204 -1.639 -13.940 209 HG3 GLN 26 2HG GLN 26 10.577 -0.523 -15.234 210 HE21 GLN 26 1HE2 GLN 26 11.927 0.534 -13.555 211 HE22 GLN 26 2HE2 GLN 26 11.142 1.733 -12.536 212 H LYS 27 H LYS 27 5.984 -3.645 -14.681 213 HA LYS 27 HA LYS 27 3.787 -2.278 -16.152 214 HB2 LYS 27 1HB LYS 27 4.098 -5.219 -15.427 215 HB3 LYS 27 2HB LYS 27 2.946 -4.524 -16.556 216 HG2 LYS 27 1HG LYS 27 5.973 -4.630 -16.922 217 HG3 LYS 27 2HG LYS 27 4.769 -5.634 -17.727 218 HD2 LYS 27 1HD LYS 27 3.802 -3.597 -18.806 219 HD3 LYS 27 2HD LYS 27 5.080 -2.613 -18.052 220 HE2 LYS 27 1HE LYS 27 6.810 -3.966 -19.189 221 HE3 LYS 27 2HE LYS 27 5.559 -4.971 -19.926 222 HZ1 LYS 27 1HZ LYS 27 4.745 -2.991 -21.094 223 HZ2 LYS 27 2HZ LYS 27 6.315 -3.244 -21.453 224 HZ3 LYS 27 3HZ LYS 27 5.903 -2.057 -20.412 225 H LYS 28 H LYS 28 4.443 -3.299 -12.886 226 HA LYS 28 HA LYS 28 1.605 -3.495 -12.116 227 HB2 LYS 28 1HB LYS 28 4.228 -3.729 -10.593 228 HB3 LYS 28 2HB LYS 28 2.685 -3.548 -9.746 229 HG2 LYS 28 1HG LYS 28 1.784 -5.524 -10.953 230 HG3 LYS 28 2HG LYS 28 3.361 -5.754 -11.718 231 HD2 LYS 28 1HD LYS 28 4.381 -5.994 -9.400 232 HD3 LYS 28 2HD LYS 28 2.760 -5.791 -8.721 233 HE2 LYS 28 1HE LYS 28 3.037 -8.114 -8.756 234 HE3 LYS 28 2HE LYS 28 2.020 -7.760 -10.152 235 HZ1 LYS 28 1HZ LYS 28 3.731 -9.257 -10.872 236 HZ2 LYS 28 2HZ LYS 28 4.923 -8.406 -10.160 237 HZ3 LYS 28 3HZ LYS 28 4.203 -7.810 -11.490 238 HA PRO 29 HA PRO 29 1.166 0.800 -10.808 239 HB2 PRO 29 1HB PRO 29 -0.781 0.515 -8.881 240 HB3 PRO 29 2HB PRO 29 -1.122 0.422 -10.633 241 HG2 PRO 29 1HG PRO 29 -0.745 -1.830 -8.680 242 HG3 PRO 29 2HG PRO 29 -1.984 -1.669 -9.959 243 HD2 PRO 29 1HD PRO 29 0.293 -3.164 -10.256 244 HD3 PRO 29 2HD PRO 29 -0.471 -2.319 -11.631 245 H LEU 30 H LEU 30 1.994 2.077 -9.192 246 HA LEU 30 HA LEU 30 3.873 0.945 -7.360 247 HB2 LEU 30 1HB LEU 30 2.668 3.683 -7.831 248 HB3 LEU 30 2HB LEU 30 3.658 3.420 -6.390 249 HG LEU 30 HG LEU 30 4.676 2.640 -9.147 250 HD11 LEU 30 1HD1 LEU 30 4.060 4.965 -9.283 251 HD12 LEU 30 2HD1 LEU 30 5.825 4.837 -9.174 252 HD13 LEU 30 3HD1 LEU 30 4.887 5.329 -7.747 253 HD21 LEU 30 1HD2 LEU 30 5.930 1.758 -7.179 254 HD22 LEU 30 2HD2 LEU 30 6.111 3.414 -6.566 255 HD23 LEU 30 3HD2 LEU 30 6.879 2.932 -8.097 256 H SER 31 H SER 31 0.449 1.762 -6.885 257 HA SER 31 HA SER 31 0.355 1.512 -4.049 258 HB2 SER 31 1HB SER 31 -1.521 2.337 -5.374 259 HB3 SER 31 2HB SER 31 -1.698 0.764 -6.171 260 HG SER 31 HG SER 31 -3.185 1.062 -4.457 261 H ALA 32 H ALA 32 0.108 -1.082 -6.565 262 HA ALA 32 HA ALA 32 -0.207 -3.252 -4.704 263 HB1 ALA 32 1HB ALA 32 0.901 -3.190 -7.556 264 HB2 ALA 32 2HB ALA 32 0.461 -4.656 -6.666 265 HB3 ALA 32 3HB ALA 32 -0.789 -3.466 -7.078 266 H ILE 33 H ILE 33 2.695 -1.753 -6.164 267 HA ILE 33 HA ILE 33 4.594 -3.592 -5.000 268 HB ILE 33 HB ILE 33 4.944 -0.733 -5.983 269 HG12 ILE 33 1HG1 ILE 33 5.550 -3.384 -7.380 270 HG13 ILE 33 2HG1 ILE 33 4.108 -2.426 -7.682 271 HG21 ILE 33 1HG2 ILE 33 7.340 -1.202 -6.090 272 HG22 ILE 33 2HG2 ILE 33 6.800 -1.430 -4.441 273 HG23 ILE 33 3HG2 ILE 33 7.087 -2.850 -5.466 274 HD11 ILE 33 1HD1 ILE 33 6.951 -1.605 -8.291 275 HD12 ILE 33 2HD1 ILE 33 5.648 -1.963 -9.428 276 HD13 ILE 33 3HD1 ILE 33 5.549 -0.512 -8.415 277 H ILE 34 H ILE 34 3.498 -0.328 -3.894 278 HA ILE 34 HA ILE 34 5.052 -0.289 -1.501 279 HB ILE 34 HB ILE 34 2.487 1.121 -2.293 280 HG12 ILE 34 1HG1 ILE 34 5.290 2.288 -1.990 281 HG13 ILE 34 2HG1 ILE 34 4.783 1.548 -3.496 282 HG21 ILE 34 1HG2 ILE 34 2.932 2.701 -0.416 283 HG22 ILE 34 2HG2 ILE 34 2.565 1.094 0.171 284 HG23 ILE 34 3HG2 ILE 34 4.250 1.650 0.148 285 HD11 ILE 34 1HD1 ILE 34 4.477 3.932 -3.661 286 HD12 ILE 34 2HD1 ILE 34 2.884 3.149 -3.669 287 HD13 ILE 34 3HD1 ILE 34 3.468 3.965 -2.207 288 H LYS 35 H LYS 35 1.778 -1.622 -2.113 289 HA LYS 35 HA LYS 35 1.230 -2.481 0.552 290 HB2 LYS 35 1HB LYS 35 -0.361 -2.370 -1.402 291 HB3 LYS 35 2HB LYS 35 0.353 -3.871 -1.999 292 HG2 LYS 35 1HG LYS 35 -0.285 -4.996 0.135 293 HG3 LYS 35 2HG LYS 35 -0.957 -3.461 0.727 294 HD2 LYS 35 1HD LYS 35 -2.582 -3.457 -1.161 295 HD3 LYS 35 2HD LYS 35 -1.919 -5.010 -1.722 296 HE2 LYS 35 1HE LYS 35 -2.516 -6.039 0.469 297 HE3 LYS 35 2HE LYS 35 -3.189 -4.495 1.008 298 HZ1 LYS 35 1HZ LYS 35 -4.820 -4.652 -0.800 299 HZ2 LYS 35 2HZ LYS 35 -4.922 -5.968 0.158 300 HZ3 LYS 35 3HZ LYS 35 -4.196 -6.079 -1.299 301 H GLU 36 H GLU 36 3.089 -4.122 -2.060 302 HA GLU 36 HA GLU 36 3.709 -6.460 -0.476 303 HB2 GLU 36 1HB GLU 36 4.697 -5.231 -3.073 304 HB3 GLU 36 2HB GLU 36 5.511 -6.593 -2.375 305 HG2 GLU 36 1HG GLU 36 2.567 -6.490 -3.150 306 HG3 GLU 36 2HG GLU 36 3.851 -7.231 -4.099 307 H VAL 37 H VAL 37 5.251 -3.244 -0.713 308 HA VAL 37 HA VAL 37 7.642 -4.040 0.720 309 HB VAL 37 HB VAL 37 6.428 -1.257 0.811 310 HG11 VAL 37 1HG1 VAL 37 8.759 -0.618 1.309 311 HG12 VAL 37 2HG1 VAL 37 8.181 -1.788 2.507 312 HG13 VAL 37 3HG1 VAL 37 9.262 -2.318 1.217 313 HG21 VAL 37 1HG2 VAL 37 7.968 -0.621 -0.959 314 HG22 VAL 37 2HG2 VAL 37 8.481 -2.310 -1.156 315 HG23 VAL 37 3HG2 VAL 37 6.836 -1.817 -1.555 316 H CYS 38 H CYS 38 4.726 -2.276 1.880 317 HA CYS 38 HA CYS 38 5.574 -2.212 4.584 318 HB2 CYS 38 1HB CYS 38 3.293 -1.392 5.037 319 HB3 CYS 38 2HB CYS 38 4.013 -0.604 3.637 320 HG CYS 38 HG CYS 38 2.759 -1.899 1.839 321 H ASP 39 H ASP 39 3.508 -4.648 2.958 322 HA ASP 39 HA ASP 39 2.762 -6.131 5.251 323 HB2 ASP 39 1HB ASP 39 1.876 -6.402 2.929 324 HB3 ASP 39 2HB ASP 39 3.405 -7.145 2.452 325 H GLY 40 H GLY 40 5.884 -6.011 3.587 326 HA2 GLY 40 1HA GLY 40 7.079 -8.401 4.656 327 HA3 GLY 40 2HA GLY 40 7.915 -6.972 4.029 328 H TRP 41 H TRP 41 6.526 -5.214 6.047 329 HA TRP 41 HA TRP 41 7.890 -6.041 8.575 330 HB2 TRP 41 1HB TRP 41 7.446 -3.291 7.384 331 HB3 TRP 41 2HB TRP 41 8.068 -3.583 9.003 332 HD1 TRP 41 HD TRP 41 10.310 -5.529 8.774 333 HE1 TRP 41 1HE TRP 41 12.432 -5.131 7.381 334 HE3 TRP 41 3HE TRP 41 8.496 -2.026 5.507 335 HZ2 TRP 41 2HZ TRP 41 13.260 -3.454 5.199 336 HZ3 TRP 41 3HZ TRP 41 10.003 -1.024 3.794 337 HH2 TRP 41 HH TRP 41 12.356 -1.726 3.634 338 H SER 42 H SER 42 4.992 -6.375 7.449 339 HA SER 42 HA SER 42 2.852 -6.314 8.143 340 HB2 SER 42 1HB SER 42 4.014 -6.302 10.944 341 HB3 SER 42 2HB SER 42 2.389 -6.823 10.477 342 HG SER 42 HG SER 42 3.281 -8.529 9.313 343 H LEU 43 H LEU 43 3.983 -3.686 7.609 344 HA LEU 43 HA LEU 43 2.811 -1.790 9.520 345 HB2 LEU 43 1HB LEU 43 4.224 -1.558 6.857 346 HB3 LEU 43 2HB LEU 43 3.598 -0.145 7.691 347 HG LEU 43 HG LEU 43 5.631 -2.085 8.897 348 HD11 LEU 43 1HD1 LEU 43 6.151 0.572 7.515 349 HD12 LEU 43 2HD1 LEU 43 6.496 -1.034 6.830 350 HD13 LEU 43 3HD1 LEU 43 7.349 -0.498 8.276 351 HD21 LEU 43 1HD2 LEU 43 4.854 0.766 9.658 352 HD22 LEU 43 2HD2 LEU 43 6.145 -0.199 10.407 353 HD23 LEU 43 3HD2 LEU 43 4.461 -0.704 10.580 354 H ALA 44 H ALA 44 0.858 -0.871 9.415 355 HA ALA 44 HA ALA 44 -1.114 -1.955 7.566 356 HB1 ALA 44 1HB ALA 44 -2.705 -0.835 9.071 357 HB2 ALA 44 2HB ALA 44 -1.513 -1.762 9.996 358 HB3 ALA 44 3HB ALA 44 -1.371 0.008 9.884 359 H ASN 45 H ASN 45 -2.761 -0.643 6.577 360 HA ASN 45 HA ASN 45 -3.528 0.860 5.059 361 HB2 ASN 45 1HB ASN 45 -2.407 2.831 7.074 362 HB3 ASN 45 2HB ASN 45 -3.719 3.128 5.938 363 HD21 ASN 45 1HD2 ASN 45 -3.482 3.001 9.037 364 HD22 ASN 45 2HD2 ASN 45 -4.865 2.001 9.459 365 H HIS 46 H HIS 46 -1.883 0.086 3.437 366 HA HIS 46 HA HIS 46 0.595 1.380 3.085 367 HB2 HIS 46 1HB HIS 46 0.791 0.005 1.202 368 HB3 HIS 46 2HB HIS 46 -0.230 -0.911 2.304 369 HD2 HIS 46 2HD HIS 46 -0.177 0.779 -1.040 370 HE1 HIS 46 1HE HIS 46 -4.092 -0.864 -0.734 371 HE2 HIS 46 2HE HIS 46 -2.419 0.247 -2.321 372 H GLU 47 H GLU 47 -2.550 2.462 2.120 373 HA GLU 47 HA GLU 47 -2.053 4.233 -0.024 374 HB2 GLU 47 1HB GLU 47 -3.817 4.664 2.427 375 HB3 GLU 47 2HB GLU 47 -3.968 5.522 0.903 376 HG2 GLU 47 1HG GLU 47 -4.447 2.543 1.348 377 HG3 GLU 47 2HG GLU 47 -5.680 3.786 1.222 378 H TYR 48 H TYR 48 -1.240 4.598 3.417 379 HA TYR 48 HA TYR 48 -0.616 7.439 3.309 380 HB2 TYR 48 1HB TYR 48 -0.020 5.218 5.303 381 HB3 TYR 48 2HB TYR 48 0.555 6.851 5.507 382 HD1 TYR 48 1HD TYR 48 -2.753 5.118 4.807 383 HD2 TYR 48 2HD TYR 48 -0.626 8.247 6.885 384 HE1 TYR 48 1HE TYR 48 -4.857 5.801 5.913 385 HE2 TYR 48 2HE TYR 48 -2.723 8.912 8.023 386 HH TYR 48 HH TYR 48 -5.848 7.244 7.405 387 H PHE 49 H PHE 49 1.114 4.590 2.316 388 HA PHE 49 HA PHE 49 3.757 5.764 2.909 389 HB2 PHE 49 1HB PHE 49 2.806 2.978 2.271 390 HB3 PHE 49 2HB PHE 49 4.500 3.422 2.177 391 HD1 PHE 49 1HD PHE 49 5.844 3.834 4.132 392 HD2 PHE 49 2HD PHE 49 1.597 3.144 4.508 393 HE1 PHE 49 1HE PHE 49 6.066 3.729 6.599 394 HE2 PHE 49 2HE PHE 49 1.837 3.016 6.970 395 HZ PHE 49 HZ PHE 49 4.074 3.302 8.024 396 H ALA 50 H ALA 50 5.463 5.705 1.531 397 HA ALA 50 HA ALA 50 5.132 5.412 -1.370 398 HB1 ALA 50 1HB ALA 50 6.110 7.983 -0.016 399 HB2 ALA 50 2HB ALA 50 6.227 7.627 -1.752 400 HB3 ALA 50 3HB ALA 50 4.635 7.802 -0.996 401 H LEU 51 H LEU 51 7.111 4.999 -2.398 402 HA LEU 51 HA LEU 51 9.406 4.246 -0.665 403 HB2 LEU 51 1HB LEU 51 8.664 3.850 -3.575 404 HB3 LEU 51 2HB LEU 51 10.339 3.675 -3.057 405 HG LEU 51 HG LEU 51 8.059 2.121 -1.759 406 HD11 LEU 51 1HD1 LEU 51 9.897 1.296 -4.042 407 HD12 LEU 51 2HD1 LEU 51 8.143 1.558 -4.146 408 HD13 LEU 51 3HD1 LEU 51 8.779 0.220 -3.176 409 HD21 LEU 51 1HD2 LEU 51 11.086 1.699 -1.829 410 HD22 LEU 51 2HD2 LEU 51 9.909 0.619 -1.067 411 HD23 LEU 51 3HD2 LEU 51 10.147 2.237 -0.420 412 H GLN 52 H GLN 52 11.479 5.191 -1.037 413 HA GLN 52 HA GLN 52 11.634 7.751 -2.533 414 HB2 GLN 52 1HB GLN 52 10.811 8.221 -0.208 415 HB3 GLN 52 2HB GLN 52 12.260 7.433 0.433 416 HG2 GLN 52 1HG GLN 52 13.641 9.195 -0.784 417 HG3 GLN 52 2HG GLN 52 12.119 9.954 -1.265 418 HE21 GLN 52 1HE2 GLN 52 12.744 11.885 -0.182 419 HE22 GLN 52 2HE2 GLN 52 12.719 11.973 1.566 420 H HIS 53 H HIS 53 13.739 8.338 -3.098 421 HA HIS 53 HA HIS 53 15.746 6.211 -3.226 422 HB2 HIS 53 1HB HIS 53 15.719 9.135 -3.985 423 HB3 HIS 53 2HB HIS 53 17.206 8.181 -4.020 424 HD2 HIS 53 2HD HIS 53 14.038 8.766 -6.019 425 HE1 HIS 53 1HE HIS 53 16.153 5.669 -8.045 426 HE2 HIS 53 2HE HIS 53 14.213 7.312 -8.211 427 H ALA 54 H ALA 54 17.334 5.697 -1.857 428 HA ALA 54 HA ALA 54 17.687 7.283 0.626 429 HB1 ALA 54 1HB ALA 54 17.145 4.868 0.747 430 HB2 ALA 54 2HB ALA 54 18.655 4.510 -0.127 431 HB3 ALA 54 3HB ALA 54 18.710 5.244 1.487 432 H ASP 55 H ASP 55 19.068 7.456 -2.310 433 HA ASP 55 HA ASP 55 21.916 7.538 -1.758 434 HB2 ASP 55 1HB ASP 55 20.675 7.065 -3.952 435 HB3 ASP 55 2HB ASP 55 20.318 8.788 -4.032 436 H SER 56 H SER 56 22.934 9.861 -2.673 437 HA SER 56 HA SER 56 22.477 11.955 -0.791 438 HB2 SER 56 1HB SER 56 23.571 12.144 -3.626 439 HB3 SER 56 2HB SER 56 23.748 13.368 -2.355 440 HG SER 56 HG SER 56 25.590 11.998 -2.512 441 H SER 57 H SER 57 20.766 11.170 -3.751 442 HA SER 57 HA SER 57 19.040 13.594 -3.563 443 HB2 SER 57 1HB SER 57 19.777 13.024 -5.819 444 HB3 SER 57 2HB SER 57 19.123 11.380 -5.640 445 HG SER 57 HG SER 57 17.684 12.888 -6.709 446 H ASN 58 H ASN 58 16.987 13.457 -2.824 447 HA ASN 58 HA ASN 58 15.940 10.837 -1.827 448 HB2 ASN 58 1HB ASN 58 15.977 13.437 -0.277 449 HB3 ASN 58 2HB ASN 58 15.334 11.881 0.262 450 HD21 ASN 58 1HD2 ASN 58 17.186 10.013 -0.279 451 HD22 ASN 58 2HD2 ASN 58 18.790 10.482 0.241 452 H PHE 59 H PHE 59 15.187 11.915 -4.303 453 HA PHE 59 HA PHE 59 12.575 13.109 -4.157 454 HB2 PHE 59 1HB PHE 59 13.600 11.094 -6.182 455 HB3 PHE 59 2HB PHE 59 12.234 12.174 -6.385 456 HD1 PHE 59 1HD PHE 59 13.678 14.751 -5.269 457 HD2 PHE 59 2HD PHE 59 14.740 11.718 -8.153 458 HE1 PHE 59 1HE PHE 59 15.119 16.379 -6.454 459 HE2 PHE 59 2HE PHE 59 16.175 13.361 -9.343 460 HZ PHE 59 HZ PHE 59 16.371 15.692 -8.491 461 H TYR 60 H TYR 60 10.583 12.275 -3.770 462 HA TYR 60 HA TYR 60 10.205 9.567 -2.761 463 HB2 TYR 60 1HB TYR 60 8.234 11.708 -3.656 464 HB3 TYR 60 2HB TYR 60 7.768 10.146 -3.008 465 HD1 TYR 60 1HD TYR 60 8.219 9.526 -0.654 466 HD2 TYR 60 2HD TYR 60 9.019 13.490 -2.167 467 HE1 TYR 60 1HE TYR 60 8.283 10.412 1.677 468 HE2 TYR 60 2HE TYR 60 9.119 14.359 0.162 469 HH TYR 60 HH TYR 60 9.002 13.852 2.390 470 H ILE 61 H ILE 61 9.224 7.823 -3.910 471 HA ILE 61 HA ILE 61 9.567 7.851 -6.823 472 HB ILE 61 HB ILE 61 8.543 5.673 -4.992 473 HG12 ILE 61 1HG1 ILE 61 10.836 6.057 -4.423 474 HG13 ILE 61 2HG1 ILE 61 10.783 4.622 -5.422 475 HG21 ILE 61 1HG2 ILE 61 9.001 4.155 -6.911 476 HG22 ILE 61 2HG2 ILE 61 7.707 5.299 -7.246 477 HG23 ILE 61 3HG2 ILE 61 9.319 5.569 -7.938 478 HD11 ILE 61 1HD1 ILE 61 12.691 5.907 -6.067 479 HD12 ILE 61 2HD1 ILE 61 11.527 6.094 -7.390 480 HD13 ILE 61 3HD1 ILE 61 11.756 7.402 -6.211 481 H THR 62 H THR 62 8.073 7.890 -8.332 482 HA THR 62 HA THR 62 5.185 8.213 -7.768 483 HB THR 62 HB THR 62 5.030 10.267 -8.985 484 HG1 THR 62 1HG THR 62 6.978 11.276 -9.736 485 HG21 THR 62 1HG2 THR 62 5.806 10.535 -6.586 486 HG22 THR 62 2HG2 THR 62 6.191 11.888 -7.662 487 HG23 THR 62 3HG2 THR 62 7.456 10.730 -7.212 488 H GLU 63 H GLU 63 4.009 8.342 -9.977 489 HA GLU 63 HA GLU 63 4.745 6.159 -11.631 490 HB2 GLU 63 1HB GLU 63 2.921 8.470 -12.388 491 HB3 GLU 63 2HB GLU 63 2.954 6.844 -13.067 492 HG2 GLU 63 1HG GLU 63 1.271 6.408 -11.617 493 HG3 GLU 63 2HG GLU 63 2.545 6.195 -10.452 494 H LYS 64 H LYS 64 5.963 9.372 -11.674 495 HA LYS 64 HA LYS 64 7.279 9.077 -14.333 496 HB2 LYS 64 1HB LYS 64 6.284 11.206 -13.850 497 HB3 LYS 64 2HB LYS 64 7.115 11.351 -12.316 498 HG2 LYS 64 1HG LYS 64 8.580 11.294 -14.999 499 HG3 LYS 64 2HG LYS 64 7.956 12.765 -14.243 500 HD2 LYS 64 1HD LYS 64 9.301 12.092 -12.161 501 HD3 LYS 64 2HD LYS 64 10.176 10.970 -13.225 502 HE2 LYS 64 1HE LYS 64 10.828 12.884 -14.670 503 HE3 LYS 64 2HE LYS 64 9.998 13.975 -13.544 504 HZ1 LYS 64 1HZ LYS 64 11.494 12.961 -11.779 505 HZ2 LYS 64 2HZ LYS 64 12.283 13.902 -12.883 506 HZ3 LYS 64 3HZ LYS 64 12.369 12.269 -12.952 507 H ASN 65 H ASN 65 8.212 9.456 -10.868 508 HA ASN 65 HA ASN 65 11.039 9.327 -11.465 509 HB2 ASN 65 1HB ASN 65 9.451 9.218 -8.875 510 HB3 ASN 65 2HB ASN 65 11.203 9.080 -8.899 511 HD21 ASN 65 1HD2 ASN 65 9.794 11.121 -7.523 512 HD22 ASN 65 2HD2 ASN 65 10.220 12.640 -8.312 513 H ARG 66 H ARG 66 8.710 6.791 -10.766 514 HA ARG 66 HA ARG 66 10.415 4.682 -9.984 515 HB2 ARG 66 1HB ARG 66 8.710 3.200 -10.836 516 HB3 ARG 66 2HB ARG 66 7.961 4.560 -10.007 517 HG2 ARG 66 1HG ARG 66 7.463 5.646 -12.195 518 HG3 ARG 66 2HG ARG 66 8.239 4.337 -13.050 519 HD2 ARG 66 1HD ARG 66 5.731 4.161 -11.361 520 HD3 ARG 66 2HD ARG 66 5.840 4.056 -13.127 521 HE ARG 66 HE ARG 66 7.486 2.002 -12.205 522 HH11 ARG 66 1HH1 ARG 66 3.691 0.981 -11.768 523 HH12 ARG 66 2HH1 ARG 66 4.034 2.656 -12.177 524 HH21 ARG 66 1HH2 ARG 66 6.898 -0.021 -11.507 525 HH22 ARG 66 2HH2 ARG 66 5.202 -0.444 -11.439 526 H ASN 67 H ASN 67 10.164 6.119 -13.166 527 HA ASN 67 HA ASN 67 11.379 3.919 -14.617 528 HB2 ASN 67 1HB ASN 67 11.052 6.862 -15.358 529 HB3 ASN 67 2HB ASN 67 11.460 5.555 -16.465 530 HD21 ASN 67 1HD2 ASN 67 8.884 7.228 -14.910 531 HD22 ASN 67 2HD2 ASN 67 7.582 6.199 -15.496 532 H GLU 68 H GLU 68 12.713 6.424 -12.611 533 HA GLU 68 HA GLU 68 15.414 6.290 -13.794 534 HB2 GLU 68 1HB GLU 68 14.404 7.709 -11.298 535 HB3 GLU 68 2HB GLU 68 15.997 7.886 -12.048 536 HG2 GLU 68 1HG GLU 68 14.915 8.740 -14.127 537 HG3 GLU 68 2HG GLU 68 13.330 8.599 -13.363 538 H ILE 69 H ILE 69 13.616 4.437 -11.543 539 HA ILE 69 HA ILE 69 15.769 3.495 -9.851 540 HB ILE 69 HB ILE 69 13.126 2.172 -10.568 541 HG12 ILE 69 1HG1 ILE 69 13.830 3.933 -8.166 542 HG13 ILE 69 2HG1 ILE 69 12.804 4.415 -9.517 543 HG21 ILE 69 1HG2 ILE 69 13.447 0.817 -8.577 544 HG22 ILE 69 2HG2 ILE 69 14.821 0.592 -9.627 545 HG23 ILE 69 3HG2 ILE 69 14.973 1.650 -8.207 546 HD11 ILE 69 1HD1 ILE 69 12.182 2.323 -7.421 547 HD12 ILE 69 2HD1 ILE 69 11.327 3.822 -7.767 548 HD13 ILE 69 3HD1 ILE 69 11.249 2.493 -8.932 549 H LYS 70 H LYS 70 17.120 1.854 -10.140 550 HA LYS 70 HA LYS 70 17.031 0.127 -12.553 551 HB2 LYS 70 1HB LYS 70 19.423 0.593 -12.973 552 HB3 LYS 70 2HB LYS 70 18.401 2.014 -13.160 553 HG2 LYS 70 1HG LYS 70 19.106 2.755 -10.828 554 HG3 LYS 70 2HG LYS 70 20.188 1.364 -10.770 555 HD2 LYS 70 1HD LYS 70 21.446 3.345 -11.362 556 HD3 LYS 70 2HD LYS 70 21.422 2.234 -12.725 557 HE2 LYS 70 1HE LYS 70 21.155 4.498 -13.520 558 HE3 LYS 70 2HE LYS 70 19.677 3.598 -13.842 559 HZ1 LYS 70 1HZ LYS 70 18.607 4.733 -11.999 560 HZ2 LYS 70 2HZ LYS 70 19.322 5.864 -12.911 561 HZ3 LYS 70 3HZ LYS 70 20.020 5.416 -11.509 562 H ASN 71 H ASN 71 18.654 -1.686 -12.416 563 HA ASN 71 HA ASN 71 18.136 -3.182 -10.069 564 HB2 ASN 71 1HB ASN 71 19.936 -4.745 -10.962 565 HB3 ASN 71 2HB ASN 71 18.531 -4.435 -11.972 566 HD21 ASN 71 1HD2 ASN 71 21.492 -2.370 -11.654 567 HD22 ASN 71 2HD2 ASN 71 21.924 -2.570 -13.354 568 H GLY 72 H GLY 72 18.919 -3.210 -8.108 569 HA2 GLY 72 1HA GLY 72 20.503 -3.162 -6.383 570 HA3 GLY 72 2HA GLY 72 21.707 -2.460 -7.460 571 H THR 73 H THR 73 18.704 -0.725 -7.622 572 HA THR 73 HA THR 73 19.788 1.636 -6.363 573 HB THR 73 HB THR 73 16.879 0.978 -6.938 574 HG1 THR 73 1HG THR 73 18.183 1.005 -8.748 575 HG21 THR 73 1HG2 THR 73 17.039 2.887 -5.367 576 HG22 THR 73 2HG2 THR 73 16.547 3.427 -6.973 577 HG23 THR 73 3HG2 THR 73 18.222 3.672 -6.436 578 H ILE 74 H ILE 74 19.918 2.214 -4.264 579 HA ILE 74 HA ILE 74 18.524 0.631 -2.203 580 HB ILE 74 HB ILE 74 20.372 2.982 -1.763 581 HG12 ILE 74 1HG1 ILE 74 21.104 0.010 -1.737 582 HG13 ILE 74 2HG1 ILE 74 21.538 1.127 -3.030 583 HG21 ILE 74 1HG2 ILE 74 19.562 0.673 0.076 584 HG22 ILE 74 2HG2 ILE 74 20.511 2.107 0.521 585 HG23 ILE 74 3HG2 ILE 74 18.805 2.265 0.124 586 HD11 ILE 74 1HD1 ILE 74 22.807 2.526 -1.430 587 HD12 ILE 74 2HD1 ILE 74 22.523 1.294 -0.170 588 HD13 ILE 74 3HD1 ILE 74 23.442 0.880 -1.626 589 H LEU 75 H LEU 75 16.667 1.189 -1.389 590 HA LEU 75 HA LEU 75 15.549 3.940 -1.745 591 HB2 LEU 75 1HB LEU 75 14.129 1.259 -1.862 592 HB3 LEU 75 2HB LEU 75 13.326 2.824 -1.940 593 HG LEU 75 HG LEU 75 15.259 1.728 -4.031 594 HD11 LEU 75 1HD1 LEU 75 13.061 0.572 -3.916 595 HD12 LEU 75 2HD1 LEU 75 13.271 1.494 -5.414 596 HD13 LEU 75 3HD1 LEU 75 12.243 2.136 -4.117 597 HD21 LEU 75 1HD2 LEU 75 13.568 4.274 -3.986 598 HD22 LEU 75 2HD2 LEU 75 14.401 3.632 -5.417 599 HD23 LEU 75 3HD2 LEU 75 15.344 4.173 -4.029 600 H ARG 76 H ARG 76 13.701 4.303 -0.202 601 HA ARG 76 HA ARG 76 13.893 2.914 2.427 602 HB2 ARG 76 1HB ARG 76 15.312 4.932 2.501 603 HB3 ARG 76 2HB ARG 76 13.956 5.928 1.953 604 HG2 ARG 76 1HG ARG 76 12.721 5.447 4.019 605 HG3 ARG 76 2HG ARG 76 13.950 4.269 4.503 606 HD2 ARG 76 1HD ARG 76 14.298 6.278 5.762 607 HD3 ARG 76 2HD ARG 76 15.631 6.113 4.609 608 HE ARG 76 HE ARG 76 13.569 7.733 3.439 609 HH11 ARG 76 1HH1 ARG 76 15.974 8.007 5.978 610 HH12 ARG 76 2HH1 ARG 76 16.031 9.743 5.850 611 HH21 ARG 76 1HH2 ARG 76 13.687 9.899 3.323 612 HH22 ARG 76 2HH2 ARG 76 14.757 10.798 4.383 613 H LEU 77 H LEU 77 11.955 2.527 3.348 614 HA LEU 77 HA LEU 77 9.473 3.404 1.988 615 HB2 LEU 77 1HB LEU 77 9.574 1.123 2.774 616 HB3 LEU 77 2HB LEU 77 10.004 1.640 4.406 617 HG LEU 77 HG LEU 77 7.712 2.746 4.510 618 HD11 LEU 77 1HD1 LEU 77 7.187 2.935 2.112 619 HD12 LEU 77 2HD1 LEU 77 6.036 1.798 2.840 620 HD13 LEU 77 3HD1 LEU 77 7.392 1.186 1.892 621 HD21 LEU 77 1HD2 LEU 77 7.736 -0.235 3.987 622 HD22 LEU 77 2HD2 LEU 77 6.511 0.670 4.900 623 HD23 LEU 77 3HD2 LEU 77 8.170 0.552 5.518 624 H THR 78 H THR 78 8.189 5.045 2.665 625 HA THR 78 HA THR 78 8.497 6.293 5.321 626 HB THR 78 HB THR 78 10.320 7.303 4.086 627 HG1 THR 78 1HG THR 78 9.342 8.747 5.364 628 HG21 THR 78 1HG2 THR 78 8.297 8.050 1.937 629 HG22 THR 78 2HG2 THR 78 9.706 6.984 1.758 630 HG23 THR 78 3HG2 THR 78 9.950 8.698 2.070 631 H THR 79 H THR 79 6.736 7.885 5.754 632 HA THR 79 HA THR 79 4.285 7.284 4.247 633 HB THR 79 HB THR 79 3.248 9.050 5.668 634 HG1 THR 79 1HG THR 79 5.154 10.150 6.273 635 HG21 THR 79 1HG2 THR 79 4.557 6.748 7.154 636 HG22 THR 79 2HG2 THR 79 3.061 6.660 6.197 637 HG23 THR 79 3HG2 THR 79 3.110 7.662 7.652 638 H SER 80 H SER 80 3.363 8.479 2.695 639 HA SER 80 HA SER 80 4.850 10.361 1.131 640 HB2 SER 80 1HB SER 80 3.085 9.066 0.124 641 HB3 SER 80 2HB SER 80 1.898 9.665 1.288 642 HG SER 80 HG SER 80 1.780 10.680 -0.749 643 HA PRO 81 HA PRO 81 4.030 14.061 3.559 644 HB2 PRO 81 1HB PRO 81 4.444 16.038 1.697 645 HB3 PRO 81 2HB PRO 81 5.756 15.073 2.432 646 HG2 PRO 81 1HG PRO 81 4.396 14.641 -0.235 647 HG3 PRO 81 2HG PRO 81 6.152 14.661 0.120 648 HD2 PRO 81 1HD PRO 81 4.755 12.331 -0.069 649 HD3 PRO 81 2HD PRO 81 6.068 12.518 1.120 650 H ALA 82 H ALA 82 2.136 13.104 0.809 651 HA ALA 82 HA ALA 82 -0.131 14.902 1.532 652 HB1 ALA 82 1HB ALA 82 0.255 12.924 -0.757 653 HB2 ALA 82 2HB ALA 82 -1.117 14.029 -0.548 654 HB3 ALA 82 3HB ALA 82 0.497 14.690 -0.850 655 H GLN 83 H GLN 83 1.028 11.844 2.465 656 HA GLN 83 HA GLN 83 0.204 9.858 3.078 657 HB2 GLN 83 1HB GLN 83 -1.959 11.609 4.274 658 HB3 GLN 83 2HB GLN 83 -1.767 9.888 4.636 659 HG2 GLN 83 1HG GLN 83 0.512 10.244 5.448 660 HG3 GLN 83 2HG GLN 83 0.409 11.971 5.089 661 HE21 GLN 83 1HE2 GLN 83 1.082 11.225 7.654 662 HE22 GLN 83 2HE2 GLN 83 -0.276 11.560 8.721 663 H ASN 84 H ASN 84 -0.437 10.625 0.436 664 HA ASN 84 HA ASN 84 -2.193 8.411 -0.298 665 HB2 ASN 84 1HB ASN 84 -2.687 11.290 -1.208 666 HB3 ASN 84 2HB ASN 84 -3.349 9.883 -2.032 667 HD21 ASN 84 1HD2 ASN 84 -4.676 8.332 -0.572 668 HD22 ASN 84 2HD2 ASN 84 -5.732 9.149 0.566 669 H ALA 85 H ALA 85 -1.955 8.145 -2.830 670 HA ALA 85 HA ALA 85 0.768 7.866 -3.512 671 HB1 ALA 85 1HB ALA 85 -1.665 8.079 -5.337 672 HB2 ALA 85 2HB ALA 85 -0.076 7.428 -5.792 673 HB3 ALA 85 3HB ALA 85 -1.052 6.596 -4.566 674 H GLN 86 H GLN 86 2.283 9.176 -4.299 675 HA GLN 86 HA GLN 86 1.773 12.012 -4.289 676 HB2 GLN 86 1HB GLN 86 3.639 10.775 -3.128 677 HB3 GLN 86 2HB GLN 86 4.392 10.519 -4.691 678 HG2 GLN 86 1HG GLN 86 5.376 12.403 -3.425 679 HG3 GLN 86 2HG GLN 86 4.726 12.933 -4.973 680 HE21 GLN 86 1HE2 GLN 86 3.042 12.380 -1.749 681 HE22 GLN 86 2HE2 GLN 86 2.416 14.022 -1.731 682 H GLN 87 H GLN 87 0.347 11.446 -6.323 683 HA GLN 87 HA GLN 87 1.571 11.127 -8.871 684 HB2 GLN 87 1HB GLN 87 -0.680 10.417 -8.336 685 HB3 GLN 87 2HB GLN 87 -1.199 12.081 -8.050 686 HG2 GLN 87 1HG GLN 87 -1.017 12.646 -10.375 687 HG3 GLN 87 2HG GLN 87 -0.121 11.162 -10.742 688 HE21 GLN 87 1HE2 GLN 87 -1.322 9.050 -10.400 689 HE22 GLN 87 2HE2 GLN 87 -3.061 9.071 -10.743 690 H LEU 88 H LEU 88 2.222 12.471 -10.450 691 HA LEU 88 HA LEU 88 2.509 15.356 -10.012 692 HB2 LEU 88 1HB LEU 88 3.164 13.485 -12.327 693 HB3 LEU 88 2HB LEU 88 3.259 15.233 -12.464 694 HG LEU 88 HG LEU 88 4.900 15.295 -10.574 695 HD11 LEU 88 1HD1 LEU 88 4.941 12.267 -10.960 696 HD12 LEU 88 2HD1 LEU 88 4.522 13.142 -9.464 697 HD13 LEU 88 3HD1 LEU 88 6.168 13.217 -10.083 698 HD21 LEU 88 1HD2 LEU 88 5.583 15.402 -12.932 699 HD22 LEU 88 2HD2 LEU 88 5.642 13.627 -13.013 700 HD23 LEU 88 3HD2 LEU 88 6.781 14.518 -11.974 701 H HIS 89 H HIS 89 1.169 16.940 -10.701 702 HA HIS 89 HA HIS 89 -1.429 16.246 -11.862 703 HB2 HIS 89 1HB HIS 89 -1.951 18.607 -11.502 704 HB3 HIS 89 2HB HIS 89 -1.298 17.850 -10.057 705 HD2 HIS 89 2HD HIS 89 0.854 18.909 -8.983 706 HE1 HIS 89 1HE HIS 89 1.708 21.848 -11.956 707 HE2 HIS 89 2HE HIS 89 2.338 20.985 -9.643 708 H GLU 90 H GLU 90 1.564 17.552 -13.153 709 HA GLU 90 HA GLU 90 0.566 17.363 -15.887 710 HB2 GLU 90 1HB GLU 90 -0.208 19.624 -15.185 711 HB3 GLU 90 2HB GLU 90 1.435 20.045 -14.720 712 HG2 GLU 90 1HG GLU 90 0.807 21.075 -16.829 713 HG3 GLU 90 2HG GLU 90 2.161 19.984 -17.049 714 H ARG 91 H ARG 91 2.263 17.421 -17.461 715 HA ARG 91 HA ARG 91 4.915 16.589 -16.480 716 HB2 ARG 91 1HB ARG 91 3.694 15.604 -18.492 717 HB3 ARG 91 2HB ARG 91 4.051 17.102 -19.359 718 HG2 ARG 91 1HG ARG 91 6.512 16.687 -18.939 719 HG3 ARG 91 2HG ARG 91 6.073 15.176 -18.124 720 HD2 ARG 91 1HD ARG 91 4.897 14.490 -20.287 721 HD3 ARG 91 2HD ARG 91 5.656 15.880 -21.062 722 HE ARG 91 HE ARG 91 6.921 13.370 -20.158 723 HH11 ARG 91 1HH1 ARG 91 7.675 16.654 -21.245 724 HH12 ARG 91 2HH1 ARG 91 9.325 16.167 -21.601 725 HH21 ARG 91 1HH2 ARG 91 9.081 12.969 -20.631 726 HH22 ARG 91 2HH2 ARG 91 10.070 14.292 -21.216 727 H ILE 92 H ILE 92 6.381 18.025 -15.858 728 HA ILE 92 HA ILE 92 6.114 20.849 -16.319 729 HB ILE 92 HB ILE 92 8.354 19.205 -15.092 730 HG12 ILE 92 1HG1 ILE 92 6.165 20.917 -13.811 731 HG13 ILE 92 2HG1 ILE 92 6.097 19.165 -13.956 732 HG21 ILE 92 1HG2 ILE 92 7.981 22.236 -15.047 733 HG22 ILE 92 2HG2 ILE 92 9.192 21.331 -14.115 734 HG23 ILE 92 3HG2 ILE 92 9.297 21.359 -15.862 735 HD11 ILE 92 1HD1 ILE 92 8.181 18.985 -12.572 736 HD12 ILE 92 2HD1 ILE 92 8.069 20.737 -12.270 737 HD13 ILE 92 3HD1 ILE 92 6.774 19.664 -11.731 738 H GLN 93 H GLN 93 8.382 18.447 -17.700 739 HA GLN 93 HA GLN 93 9.723 20.380 -19.413 740 HB2 GLN 93 1HB GLN 93 10.805 18.325 -18.532 741 HB3 GLN 93 2HB GLN 93 9.681 17.348 -19.466 742 HG2 GLN 93 1HG GLN 93 10.638 18.672 -21.538 743 HG3 GLN 93 2HG GLN 93 11.936 19.134 -20.447 744 HE21 GLN 93 1HE2 GLN 93 13.719 17.739 -20.632 745 HE22 GLN 93 2HE2 GLN 93 13.587 16.050 -21.101 746 H SER 94 H SER 94 9.071 21.128 -21.367 747 HA SER 94 HA SER 94 6.452 20.491 -22.376 748 HB2 SER 94 1HB SER 94 6.985 22.216 -24.057 749 HB3 SER 94 2HB SER 94 7.348 22.748 -22.407 750 HG SER 94 HG SER 94 9.043 23.245 -23.887 751 H SER 95 H SER 95 9.682 19.481 -23.401 752 HA SER 95 HA SER 95 8.563 17.514 -25.281 753 HB2 SER 95 1HB SER 95 8.766 19.564 -26.657 754 HB3 SER 95 2HB SER 95 10.480 19.689 -26.215 755 HG SER 95 HG SER 95 10.106 18.638 -28.255 756 H SER 96 H SER 96 10.108 15.912 -25.907 757 HA SER 96 HA SER 96 11.968 15.254 -23.776 758 HB2 SER 96 1HB SER 96 10.435 13.623 -24.802 759 HB3 SER 96 2HB SER 96 11.321 13.746 -26.331 760 HG SER 96 HG SER 96 13.124 12.878 -25.340 761 H MET 97 H MET 97 13.208 17.277 -24.305 762 HA MET 97 HA MET 97 15.153 17.333 -26.444 763 HB2 MET 97 1HB MET 97 14.991 18.771 -23.767 764 HB3 MET 97 2HB MET 97 16.159 19.158 -25.035 765 HG2 MET 97 1HG MET 97 14.400 19.753 -26.587 766 HG3 MET 97 2HG MET 97 13.144 19.256 -25.460 767 HE1 MET 97 1HE MET 97 13.794 20.425 -22.658 768 HE2 MET 97 2HE MET 97 13.022 22.018 -22.788 769 HE3 MET 97 3HE MET 97 12.234 20.593 -23.499 770 H ASP 98 H ASP 98 17.512 17.329 -26.121 771 HA ASP 98 HA ASP 98 18.502 14.896 -25.029 772 HB2 ASP 98 1HB ASP 98 19.462 16.171 -26.928 773 HB3 ASP 98 2HB ASP 98 20.016 17.414 -25.809 774 H ALA 99 H ALA 99 19.195 14.325 -23.063 775 HA ALA 99 HA ALA 99 18.804 16.025 -20.781 776 HB1 ALA 99 1HB ALA 99 18.337 13.594 -20.816 777 HB2 ALA 99 2HB ALA 99 20.071 13.261 -21.042 778 HB3 ALA 99 3HB ALA 99 19.492 14.007 -19.538 779 H LYS 100 H LYS 100 21.542 15.687 -22.807 780 HA LYS 100 HA LYS 100 23.371 16.826 -20.707 781 HB2 LYS 100 1HB LYS 100 24.072 14.967 -23.012 782 HB3 LYS 100 2HB LYS 100 25.233 15.704 -21.916 783 HG2 LYS 100 1HG LYS 100 23.074 13.706 -21.104 784 HG3 LYS 100 2HG LYS 100 24.775 13.347 -21.390 785 HD2 LYS 100 1HD LYS 100 25.410 14.875 -19.506 786 HD3 LYS 100 2HD LYS 100 23.698 15.196 -19.215 787 HE2 LYS 100 1HE LYS 100 24.348 13.577 -17.616 788 HE3 LYS 100 2HE LYS 100 23.319 12.762 -18.796 789 HZ1 LYS 100 1HZ LYS 100 25.342 11.856 -19.825 790 HZ2 LYS 100 2HZ LYS 100 25.303 11.456 -18.247 791 HZ3 LYS 100 3HZ LYS 100 26.294 12.646 -18.754 792 H LEU 101 H LEU 101 24.693 18.441 -21.168 793 HA LEU 101 HA LEU 101 24.295 20.054 -23.614 794 HB2 LEU 101 1HB LEU 101 24.308 21.142 -21.396 795 HB3 LEU 101 2HB LEU 101 25.898 20.461 -21.058 796 HG LEU 101 HG LEU 101 26.849 21.805 -22.951 797 HD11 LEU 101 1HD1 LEU 101 24.807 22.178 -24.291 798 HD12 LEU 101 2HD1 LEU 101 25.521 23.715 -23.797 799 HD13 LEU 101 3HD1 LEU 101 24.083 23.099 -22.952 800 HD21 LEU 101 1HD2 LEU 101 25.391 23.387 -20.798 801 HD22 LEU 101 2HD2 LEU 101 26.782 23.950 -21.752 802 HD23 LEU 101 3HD2 LEU 101 26.974 22.596 -20.627 803 H GLU 102 H GLU 102 25.737 20.047 -25.329 804 HA GLU 102 HA GLU 102 27.850 18.053 -25.330 805 HB2 GLU 102 1HB GLU 102 28.026 18.407 -27.603 806 HB3 GLU 102 2HB GLU 102 26.321 18.583 -27.256 807 HG2 GLU 102 1HG GLU 102 28.331 20.789 -27.867 808 HG3 GLU 102 2HG GLU 102 27.065 20.192 -28.925 809 H ALA 103 H ALA 103 27.848 21.574 -25.038 810 HA ALA 103 HA ALA 103 30.567 21.636 -24.036 811 HB1 ALA 103 1HB ALA 103 29.925 22.898 -26.749 812 HB2 ALA 103 2HB ALA 103 31.438 23.118 -25.839 813 HB3 ALA 103 3HB ALA 103 31.012 21.520 -26.478 814 H LEU 104 H LEU 104 31.121 23.761 -23.193 815 HA LEU 104 HA LEU 104 28.889 25.418 -22.327 816 HB2 LEU 104 1HB LEU 104 31.884 25.954 -22.274 817 HB3 LEU 104 2HB LEU 104 30.658 26.917 -21.456 818 HG LEU 104 HG LEU 104 31.318 24.000 -20.836 819 HD11 LEU 104 1HD1 LEU 104 33.084 25.586 -20.166 820 HD12 LEU 104 2HD1 LEU 104 32.260 24.900 -18.757 821 HD13 LEU 104 3HD1 LEU 104 31.885 26.558 -19.282 822 HD21 LEU 104 1HD2 LEU 104 28.964 24.450 -20.305 823 HD22 LEU 104 2HD2 LEU 104 29.416 25.944 -19.449 824 HD23 LEU 104 3HD2 LEU 104 29.906 24.357 -18.816 825 H LYS 105 H LYS 105 28.064 27.231 -23.213 826 HA LYS 105 HA LYS 105 28.555 27.706 -26.032 827 HB2 LYS 105 1HB LYS 105 26.806 29.298 -24.116 828 HB3 LYS 105 2HB LYS 105 26.738 29.327 -25.873 829 HG2 LYS 105 1HG LYS 105 25.982 26.998 -24.056 830 HG3 LYS 105 2HG LYS 105 24.901 28.038 -24.978 831 HD2 LYS 105 1HD LYS 105 25.945 27.164 -27.105 832 HD3 LYS 105 2HD LYS 105 26.880 26.014 -26.116 833 HE2 LYS 105 1HE LYS 105 24.755 25.118 -25.177 834 HE3 LYS 105 2HE LYS 105 23.837 26.245 -26.182 835 HZ1 LYS 105 1HZ LYS 105 24.795 25.131 -28.147 836 HZ2 LYS 105 2HZ LYS 105 23.968 24.066 -27.223 837 HZ3 LYS 105 3HZ LYS 105 25.594 24.058 -27.199 838 H ASP 106 H ASP 106 29.620 29.270 -27.060 839 HA ASP 106 HA ASP 106 31.297 31.189 -25.577 840 HB2 ASP 106 1HB ASP 106 30.914 30.731 -28.557 841 HB3 ASP 106 2HB ASP 106 32.051 31.872 -27.841 842 H LEU 107 H LEU 107 31.098 33.397 -25.576 843 HA LEU 107 HA LEU 107 28.818 34.728 -26.928 844 HB2 LEU 107 1HB LEU 107 29.432 34.899 -23.953 845 HB3 LEU 107 2HB LEU 107 28.362 36.005 -24.800 846 HG LEU 107 HG LEU 107 27.863 33.001 -24.565 847 HD11 LEU 107 1HD1 LEU 107 26.655 35.325 -23.015 848 HD12 LEU 107 2HD1 LEU 107 27.781 34.108 -22.373 849 HD13 LEU 107 3HD1 LEU 107 26.165 33.618 -22.904 850 HD21 LEU 107 1HD2 LEU 107 26.718 34.026 -26.514 851 HD22 LEU 107 2HD2 LEU 107 26.056 35.298 -25.465 852 HD23 LEU 107 3HD2 LEU 107 25.559 33.604 -25.252 853 H ALA 108 H ALA 108 29.337 36.651 -27.748 854 HA ALA 108 HA ALA 108 31.444 38.367 -26.710 855 HB1 ALA 108 1HB ALA 108 32.797 36.763 -28.032 856 HB2 ALA 108 2HB ALA 108 31.766 37.052 -29.452 857 HB3 ALA 108 3HB ALA 108 32.781 38.357 -28.805 858 H SER 109 H SER 109 31.463 40.464 -27.746 859 HA SER 109 HA SER 109 28.909 41.332 -28.878 860 HB2 SER 109 1HB SER 109 30.195 42.785 -27.364 861 HB3 SER 109 2HB SER 109 31.521 42.846 -28.545 862 HG SER 109 HG SER 109 30.116 44.644 -28.737 863 H LEU 110 H LEU 110 28.544 42.172 -30.932 864 HA LEU 110 HA LEU 110 30.118 41.036 -33.149 865 HB2 LEU 110 1HB LEU 110 27.634 42.794 -33.149 866 HB3 LEU 110 2HB LEU 110 28.322 41.983 -34.552 867 HG LEU 110 HG LEU 110 27.101 40.594 -32.123 868 HD11 LEU 110 1HD1 LEU 110 25.324 39.956 -33.688 869 HD12 LEU 110 2HD1 LEU 110 26.120 40.865 -34.994 870 HD13 LEU 110 3HD1 LEU 110 25.460 41.719 -33.582 871 HD21 LEU 110 1HD2 LEU 110 28.208 39.429 -34.719 872 HD22 LEU 110 2HD2 LEU 110 27.268 38.530 -33.506 873 HD23 LEU 110 3HD2 LEU 110 28.856 39.169 -33.081 874 H SER 111 H SER 111 30.375 43.888 -31.345 875 HA SER 111 HA SER 111 31.894 45.284 -33.510 876 HB2 SER 111 1HB SER 111 29.873 46.589 -31.645 877 HB3 SER 111 2HB SER 111 30.946 47.434 -32.771 878 HG SER 111 HG SER 111 28.820 45.644 -33.385 879 H ARG 112 H ARG 112 33.527 46.696 -32.838 880 HA ARG 112 HA ARG 112 34.959 46.014 -30.417 881 HB2 ARG 112 1HB ARG 112 35.988 46.699 -32.584 882 HB3 ARG 112 2HB ARG 112 35.353 48.335 -32.360 883 HG2 ARG 112 1HG ARG 112 36.730 48.609 -30.324 884 HG3 ARG 112 2HG ARG 112 37.306 46.934 -30.475 885 HD2 ARG 112 1HD ARG 112 38.339 47.488 -32.652 886 HD3 ARG 112 2HD ARG 112 37.735 49.153 -32.519 887 HE ARG 112 HE ARG 112 39.256 48.547 -30.185 888 HH11 ARG 112 1HH1 ARG 112 39.856 49.119 -33.588 889 HH12 ARG 112 2HH1 ARG 112 41.472 49.709 -33.299 890 HH21 ARG 112 1HH2 ARG 112 41.321 49.309 -29.884 891 HH22 ARG 112 2HH2 ARG 112 42.273 49.809 -31.252 892 H ASP 113 H ASP 113 32.785 48.643 -31.239 893 HA ASP 113 HA ASP 113 32.555 49.499 -28.417 894 HB2 ASP 113 1HB ASP 113 34.379 50.872 -29.276 895 HB3 ASP 113 2HB ASP 113 33.421 51.348 -30.671 Start of MODEL 14 1 H1 GLY 0 1H GLY 0 19.951 -8.725 -33.742 2 H2 GLY 0 2H GLY 0 18.384 -9.016 -33.355 3 H3 GLY 0 3H GLY 0 19.460 -10.249 -33.390 4 HA2 GLY 0 1HA GLY 0 20.690 -9.315 -31.537 5 HA3 GLY 0 2HA GLY 0 19.509 -7.994 -31.493 6 H MET 1 H MET 1 19.108 -8.614 -29.279 7 HA MET 1 HA MET 1 17.051 -10.731 -29.002 8 HB2 MET 1 1HB MET 1 19.507 -10.445 -27.219 9 HB3 MET 1 2HB MET 1 18.079 -11.392 -26.798 10 HG2 MET 1 1HG MET 1 18.409 -12.766 -28.855 11 HG3 MET 1 2HG MET 1 19.914 -11.892 -29.164 12 HE1 MET 1 1HE MET 1 19.663 -15.067 -29.008 13 HE2 MET 1 2HE MET 1 21.181 -14.205 -29.347 14 HE3 MET 1 3HE MET 1 21.133 -15.461 -28.091 15 HA PRO 2 HA PRO 2 15.025 -7.523 -26.686 16 HB2 PRO 2 1HB PRO 2 13.281 -8.923 -25.098 17 HB3 PRO 2 2HB PRO 2 13.104 -8.804 -26.876 18 HG2 PRO 2 1HG PRO 2 14.408 -11.038 -25.280 19 HG3 PRO 2 2HG PRO 2 13.158 -11.180 -26.560 20 HD2 PRO 2 1HD PRO 2 15.791 -11.513 -27.112 21 HD3 PRO 2 2HD PRO 2 14.716 -10.668 -28.265 22 HA PRO 3 HA PRO 3 17.034 -7.067 -22.681 23 HB2 PRO 3 1HB PRO 3 15.302 -5.440 -21.307 24 HB3 PRO 3 2HB PRO 3 16.287 -4.871 -22.690 25 HG2 PRO 3 1HG PRO 3 13.402 -5.827 -22.727 26 HG3 PRO 3 2HG PRO 3 14.072 -4.313 -23.419 27 HD2 PRO 3 1HD PRO 3 13.678 -6.515 -24.948 28 HD3 PRO 3 2HD PRO 3 15.115 -5.479 -25.195 29 HA PRO 4 HA PRO 4 15.176 -10.083 -19.941 30 HB2 PRO 4 1HB PRO 4 16.435 -9.664 -17.575 31 HB3 PRO 4 2HB PRO 4 17.325 -10.117 -19.053 32 HG2 PRO 4 1HG PRO 4 16.894 -7.308 -17.966 33 HG3 PRO 4 2HG PRO 4 18.448 -8.094 -18.399 34 HD2 PRO 4 1HD PRO 4 17.106 -6.487 -20.146 35 HD3 PRO 4 2HD PRO 4 17.996 -7.934 -20.704 36 H ALA 5 H ALA 5 13.273 -8.376 -20.478 37 HA ALA 5 HA ALA 5 11.366 -7.357 -19.963 38 HB1 ALA 5 1HB ALA 5 10.104 -8.040 -18.016 39 HB2 ALA 5 2HB ALA 5 10.955 -9.436 -18.697 40 HB3 ALA 5 3HB ALA 5 11.568 -8.650 -17.224 41 H ASP 6 H ASP 6 10.189 -5.764 -18.574 42 HA ASP 6 HA ASP 6 11.968 -3.512 -17.976 43 HB2 ASP 6 1HB ASP 6 8.939 -3.701 -17.968 44 HB3 ASP 6 2HB ASP 6 9.889 -2.220 -17.826 45 H ILE 7 H ILE 7 12.655 -5.286 -16.148 46 HA ILE 7 HA ILE 7 11.257 -4.564 -13.601 47 HB ILE 7 HB ILE 7 12.423 -7.269 -14.300 48 HG12 ILE 7 1HG1 ILE 7 9.504 -6.382 -14.209 49 HG13 ILE 7 2HG1 ILE 7 10.398 -6.871 -15.641 50 HG21 ILE 7 1HG2 ILE 7 12.517 -6.730 -11.879 51 HG22 ILE 7 2HG2 ILE 7 10.774 -6.372 -11.893 52 HG23 ILE 7 3HG2 ILE 7 11.377 -8.016 -12.192 53 HD11 ILE 7 1HD1 ILE 7 9.004 -8.687 -15.036 54 HD12 ILE 7 2HD1 ILE 7 10.670 -9.162 -14.648 55 HD13 ILE 7 3HD1 ILE 7 9.546 -8.666 -13.354 56 H VAL 8 H VAL 8 12.450 -3.956 -11.931 57 HA VAL 8 HA VAL 8 15.430 -4.158 -12.049 58 HB VAL 8 HB VAL 8 15.475 -1.881 -10.977 59 HG11 VAL 8 1HG1 VAL 8 16.164 -2.289 -13.288 60 HG12 VAL 8 2HG1 VAL 8 14.494 -2.065 -13.848 61 HG13 VAL 8 3HG1 VAL 8 15.386 -0.709 -13.129 62 HG21 VAL 8 1HG2 VAL 8 13.647 -0.308 -11.521 63 HG22 VAL 8 2HG2 VAL 8 12.642 -1.644 -12.090 64 HG23 VAL 8 3HG2 VAL 8 13.122 -1.550 -10.380 65 H LYS 9 H LYS 9 16.346 -5.022 -10.351 66 HA LYS 9 HA LYS 9 14.862 -5.658 -7.918 67 HB2 LYS 9 1HB LYS 9 16.674 -7.086 -9.002 68 HB3 LYS 9 2HB LYS 9 17.857 -5.920 -8.386 69 HG2 LYS 9 1HG LYS 9 17.024 -6.379 -6.055 70 HG3 LYS 9 2HG LYS 9 15.867 -7.537 -6.729 71 HD2 LYS 9 1HD LYS 9 17.863 -8.822 -7.687 72 HD3 LYS 9 2HD LYS 9 18.904 -7.699 -6.801 73 HE2 LYS 9 1HE LYS 9 18.755 -9.511 -5.338 74 HE3 LYS 9 2HE LYS 9 17.571 -8.373 -4.689 75 HZ1 LYS 9 1HZ LYS 9 15.825 -9.687 -5.895 76 HZ2 LYS 9 2HZ LYS 9 16.636 -10.604 -4.809 77 HZ3 LYS 9 3HZ LYS 9 16.968 -10.734 -6.397 78 H VAL 10 H VAL 10 15.001 -4.724 -5.916 79 HA VAL 10 HA VAL 10 16.775 -2.372 -5.503 80 HB VAL 10 HB VAL 10 14.989 -1.034 -4.563 81 HG11 VAL 10 1HG1 VAL 10 13.925 -0.317 -6.576 82 HG12 VAL 10 2HG1 VAL 10 15.559 -0.855 -7.000 83 HG13 VAL 10 3HG1 VAL 10 14.163 -1.891 -7.359 84 HG21 VAL 10 1HG2 VAL 10 13.033 -3.165 -5.519 85 HG22 VAL 10 2HG2 VAL 10 13.398 -2.762 -3.827 86 HG23 VAL 10 3HG2 VAL 10 12.611 -1.576 -4.860 87 H ALA 11 H ALA 11 17.134 -1.781 -3.349 88 HA ALA 11 HA ALA 11 16.434 -3.826 -1.268 89 HB1 ALA 11 1HB ALA 11 18.927 -2.080 -1.445 90 HB2 ALA 11 2HB ALA 11 18.544 -3.258 -0.170 91 HB3 ALA 11 3HB ALA 11 18.859 -3.810 -1.828 92 H ILE 12 H ILE 12 14.992 -3.034 0.161 93 HA ILE 12 HA ILE 12 14.624 -0.082 0.320 94 HB ILE 12 HB ILE 12 12.655 -2.282 0.952 95 HG12 ILE 12 1HG1 ILE 12 12.792 -0.522 -1.541 96 HG13 ILE 12 2HG1 ILE 12 13.342 -2.198 -1.491 97 HG21 ILE 12 1HG2 ILE 12 10.988 -0.470 0.997 98 HG22 ILE 12 2HG2 ILE 12 12.248 -0.087 2.141 99 HG23 ILE 12 3HG2 ILE 12 12.229 0.725 0.567 100 HD11 ILE 12 1HD1 ILE 12 10.516 -1.278 -1.023 101 HD12 ILE 12 2HD1 ILE 12 11.148 -2.127 -2.435 102 HD13 ILE 12 3HD1 ILE 12 11.099 -2.954 -0.856 103 H GLU 13 H GLU 13 15.144 0.942 2.084 104 HA GLU 13 HA GLU 13 15.700 -0.470 4.618 105 HB2 GLU 13 1HB GLU 13 16.010 2.457 3.846 106 HB3 GLU 13 2HB GLU 13 16.523 1.721 5.372 107 HG2 GLU 13 1HG GLU 13 17.963 0.128 4.008 108 HG3 GLU 13 2HG GLU 13 17.637 1.140 2.599 109 H TRP 14 H TRP 14 14.838 0.045 6.619 110 HA TRP 14 HA TRP 14 12.737 2.009 6.956 111 HB2 TRP 14 1HB TRP 14 11.375 0.141 6.252 112 HB3 TRP 14 2HB TRP 14 12.168 -0.940 7.394 113 HD1 TRP 14 HD TRP 14 11.158 -1.099 9.743 114 HE1 TRP 14 1HE TRP 14 9.289 0.072 11.054 115 HE3 TRP 14 3HE TRP 14 10.168 2.706 6.481 116 HZ2 TRP 14 2HZ TRP 14 7.598 2.395 10.737 117 HZ3 TRP 14 3HZ TRP 14 8.474 4.431 7.038 118 HH2 TRP 14 HH TRP 14 7.174 4.282 9.154 119 HA PRO 15 HA PRO 15 15.168 2.347 10.608 120 HB2 PRO 15 1HB PRO 15 12.675 3.244 12.055 121 HB3 PRO 15 2HB PRO 15 14.303 3.995 12.030 122 HG2 PRO 15 1HG PRO 15 12.343 5.024 10.487 123 HG3 PRO 15 2HG PRO 15 13.975 4.778 9.775 124 HD2 PRO 15 1HD PRO 15 11.553 2.968 9.596 125 HD3 PRO 15 2HD PRO 15 12.591 3.563 8.268 126 H GLY 16 H GLY 16 15.909 1.003 12.153 127 HA2 GLY 16 1HA GLY 16 16.020 -0.657 13.744 128 HA3 GLY 16 2HA GLY 16 14.270 -0.572 13.940 129 H ALA 17 H ALA 17 15.162 -1.207 10.663 130 HA ALA 17 HA ALA 17 14.957 -4.164 11.016 131 HB1 ALA 17 1HB ALA 17 12.736 -3.228 10.444 132 HB2 ALA 17 2HB ALA 17 13.436 -2.471 8.992 133 HB3 ALA 17 3HB ALA 17 13.392 -4.236 9.141 134 H TYR 18 H TYR 18 15.887 -5.453 9.420 135 HA TYR 18 HA TYR 18 18.185 -4.397 8.019 136 HB2 TYR 18 1HB TYR 18 16.824 -7.103 7.809 137 HB3 TYR 18 2HB TYR 18 18.398 -6.695 7.143 138 HD1 TYR 18 1HD TYR 18 16.653 -7.922 10.046 139 HD2 TYR 18 2HD TYR 18 20.252 -5.906 8.771 140 HE1 TYR 18 1HE TYR 18 17.753 -8.532 12.191 141 HE2 TYR 18 2HE TYR 18 21.353 -6.523 10.924 142 HH TYR 18 HH TYR 18 19.657 -8.410 13.460 143 HA PRO 19 HA PRO 19 16.266 -3.128 4.290 144 HB2 PRO 19 1HB PRO 19 18.538 -4.373 2.747 145 HB3 PRO 19 2HB PRO 19 17.857 -2.721 2.624 146 HG2 PRO 19 1HG PRO 19 20.165 -3.145 3.981 147 HG3 PRO 19 2HG PRO 19 18.914 -2.057 4.666 148 HD2 PRO 19 1HD PRO 19 19.451 -4.963 5.353 149 HD3 PRO 19 2HD PRO 19 19.195 -3.563 6.439 150 H LYS 20 H LYS 20 14.626 -3.876 3.102 151 HA LYS 20 HA LYS 20 14.235 -6.775 2.617 152 HB2 LYS 20 1HB LYS 20 12.394 -5.514 3.524 153 HB3 LYS 20 2HB LYS 20 12.459 -4.334 2.208 154 HG2 LYS 20 1HG LYS 20 11.721 -5.988 0.596 155 HG3 LYS 20 2HG LYS 20 11.885 -7.296 1.790 156 HD2 LYS 20 1HD LYS 20 10.070 -6.315 3.147 157 HD3 LYS 20 2HD LYS 20 9.973 -4.932 2.058 158 HE2 LYS 20 1HE LYS 20 8.148 -6.448 1.585 159 HE3 LYS 20 2HE LYS 20 9.246 -6.388 0.204 160 HZ1 LYS 20 1HZ LYS 20 8.544 -8.663 0.762 161 HZ2 LYS 20 2HZ LYS 20 9.219 -8.559 2.242 162 HZ3 LYS 20 3HZ LYS 20 10.162 -8.525 0.905 163 H LEU 21 H LEU 21 15.229 -7.620 0.915 164 HA LEU 21 HA LEU 21 15.676 -6.161 -1.600 165 HB2 LEU 21 1HB LEU 21 16.073 -9.057 -0.757 166 HB3 LEU 21 2HB LEU 21 16.416 -8.472 -2.381 167 HG LEU 21 HG LEU 21 17.757 -7.300 0.095 168 HD11 LEU 21 1HD1 LEU 21 18.767 -9.482 -1.779 169 HD12 LEU 21 2HD1 LEU 21 18.305 -9.692 -0.075 170 HD13 LEU 21 3HD1 LEU 21 19.703 -8.690 -0.490 171 HD21 LEU 21 1HD2 LEU 21 19.413 -6.479 -1.518 172 HD22 LEU 21 2HD2 LEU 21 17.807 -5.893 -1.974 173 HD23 LEU 21 3HD2 LEU 21 18.536 -7.245 -2.860 174 H MET 22 H MET 22 14.355 -6.120 -3.324 175 HA MET 22 HA MET 22 12.364 -8.202 -3.839 176 HB2 MET 22 1HB MET 22 10.410 -6.885 -3.656 177 HB3 MET 22 2HB MET 22 11.257 -6.643 -2.139 178 HG2 MET 22 1HG MET 22 11.299 -4.473 -2.413 179 HG3 MET 22 2HG MET 22 12.169 -4.606 -3.917 180 HE1 MET 22 1HE MET 22 8.358 -5.885 -3.282 181 HE2 MET 22 2HE MET 22 8.809 -4.601 -2.143 182 HE3 MET 22 3HE MET 22 7.590 -4.290 -3.399 183 H GLU 23 H GLU 23 10.928 -7.378 -5.846 184 HA GLU 23 HA GLU 23 12.681 -5.916 -7.760 185 HB2 GLU 23 1HB GLU 23 10.958 -8.359 -8.323 186 HB3 GLU 23 2HB GLU 23 11.771 -7.350 -9.507 187 HG2 GLU 23 1HG GLU 23 13.279 -9.069 -9.290 188 HG3 GLU 23 2HG GLU 23 13.957 -7.832 -8.246 189 H ILE 24 H ILE 24 11.861 -4.314 -8.788 190 HA ILE 24 HA ILE 24 8.942 -3.698 -8.631 191 HB ILE 24 HB ILE 24 11.405 -1.966 -8.968 192 HG12 ILE 24 1HG1 ILE 24 9.114 -2.088 -6.965 193 HG13 ILE 24 2HG1 ILE 24 10.771 -2.607 -6.688 194 HG21 ILE 24 1HG2 ILE 24 8.506 -1.143 -9.418 195 HG22 ILE 24 2HG2 ILE 24 9.877 -0.021 -9.277 196 HG23 ILE 24 3HG2 ILE 24 9.807 -1.128 -10.626 197 HD11 ILE 24 1HD1 ILE 24 10.476 -0.509 -5.593 198 HD12 ILE 24 2HD1 ILE 24 11.534 -0.239 -6.991 199 HD13 ILE 24 3HD1 ILE 24 9.822 0.257 -7.043 200 H ASP 25 H ASP 25 7.903 -4.515 -10.279 201 HA ASP 25 HA ASP 25 8.998 -4.578 -13.029 202 HB2 ASP 25 1HB ASP 25 7.598 -6.432 -12.280 203 HB3 ASP 25 2HB ASP 25 6.310 -5.327 -11.817 204 H GLN 26 H GLN 26 8.955 -2.763 -14.254 205 HA GLN 26 HA GLN 26 7.712 -0.361 -13.296 206 HB2 GLN 26 1HB GLN 26 8.907 -0.971 -16.003 207 HB3 GLN 26 2HB GLN 26 8.486 0.637 -15.423 208 HG2 GLN 26 1HG GLN 26 10.562 -1.157 -14.063 209 HG3 GLN 26 2HG GLN 26 10.921 0.045 -15.287 210 HE21 GLN 26 1HE2 GLN 26 12.351 1.054 -13.692 211 HE22 GLN 26 2HE2 GLN 26 11.630 2.136 -12.507 212 H LYS 27 H LYS 27 6.322 -2.952 -15.067 213 HA LYS 27 HA LYS 27 4.093 -1.318 -16.151 214 HB2 LYS 27 1HB LYS 27 4.451 -4.340 -16.079 215 HB3 LYS 27 2HB LYS 27 3.248 -3.455 -16.995 216 HG2 LYS 27 1HG LYS 27 6.261 -3.450 -17.454 217 HG3 LYS 27 2HG LYS 27 5.039 -4.216 -18.454 218 HD2 LYS 27 1HD LYS 27 5.409 -1.211 -18.076 219 HD3 LYS 27 2HD LYS 27 5.886 -2.167 -19.481 220 HE2 LYS 27 1HE LYS 27 3.501 -2.797 -19.861 221 HE3 LYS 27 2HE LYS 27 3.024 -1.784 -18.492 222 HZ1 LYS 27 1HZ LYS 27 2.791 -0.596 -20.597 223 HZ2 LYS 27 2HZ LYS 27 4.369 -0.799 -20.954 224 HZ3 LYS 27 3HZ LYS 27 3.929 0.141 -19.691 225 H LYS 28 H LYS 28 4.747 -2.996 -13.152 226 HA LYS 28 HA LYS 28 1.852 -3.232 -12.517 227 HB2 LYS 28 1HB LYS 28 2.330 -4.688 -10.880 228 HB3 LYS 28 2HB LYS 28 3.693 -5.008 -11.939 229 HG2 LYS 28 1HG LYS 28 5.132 -3.605 -10.505 230 HG3 LYS 28 2HG LYS 28 3.761 -3.253 -9.449 231 HD2 LYS 28 1HD LYS 28 4.814 -6.066 -9.970 232 HD3 LYS 28 2HD LYS 28 5.348 -5.044 -8.629 233 HE2 LYS 28 1HE LYS 28 3.002 -4.881 -7.808 234 HE3 LYS 28 2HE LYS 28 2.474 -5.949 -9.117 235 HZ1 LYS 28 1HZ LYS 28 2.857 -7.159 -7.020 236 HZ2 LYS 28 2HZ LYS 28 4.368 -6.692 -6.938 237 HZ3 LYS 28 3HZ LYS 28 3.911 -7.694 -8.170 238 HA PRO 29 HA PRO 29 1.553 0.640 -10.624 239 HB2 PRO 29 1HB PRO 29 -0.472 0.334 -8.789 240 HB3 PRO 29 2HB PRO 29 -0.719 0.292 -10.556 241 HG2 PRO 29 1HG PRO 29 -0.478 -2.029 -8.657 242 HG3 PRO 29 2HG PRO 29 -1.615 -1.823 -10.022 243 HD2 PRO 29 1HD PRO 29 0.684 -3.313 -10.151 244 HD3 PRO 29 2HD PRO 29 -0.034 -2.490 -11.563 245 H LEU 30 H LEU 30 2.343 1.907 -9.034 246 HA LEU 30 HA LEU 30 4.137 0.827 -7.084 247 HB2 LEU 30 1HB LEU 30 2.935 3.566 -7.579 248 HB3 LEU 30 2HB LEU 30 4.015 3.278 -6.212 249 HG LEU 30 HG LEU 30 4.830 2.564 -9.055 250 HD11 LEU 30 1HD1 LEU 30 4.266 4.923 -9.018 251 HD12 LEU 30 2HD1 LEU 30 6.025 4.720 -9.096 252 HD13 LEU 30 3HD1 LEU 30 5.254 5.174 -7.559 253 HD21 LEU 30 1HD2 LEU 30 6.458 3.176 -6.546 254 HD22 LEU 30 2HD2 LEU 30 7.111 2.775 -8.148 255 HD23 LEU 30 3HD2 LEU 30 6.207 1.561 -7.240 256 H SER 31 H SER 31 0.704 1.772 -6.773 257 HA SER 31 HA SER 31 0.493 1.602 -3.959 258 HB2 SER 31 1HB SER 31 -1.561 0.679 -6.009 259 HB3 SER 31 2HB SER 31 -1.882 1.176 -4.338 260 HG SER 31 HG SER 31 -1.282 3.276 -4.868 261 H ALA 32 H ALA 32 0.356 -1.057 -6.391 262 HA ALA 32 HA ALA 32 -0.143 -3.144 -4.442 263 HB1 ALA 32 1HB ALA 32 0.439 -4.652 -6.313 264 HB2 ALA 32 2HB ALA 32 -0.721 -3.411 -6.813 265 HB3 ALA 32 3HB ALA 32 0.992 -3.269 -7.277 266 H ILE 33 H ILE 33 2.844 -1.856 -5.978 267 HA ILE 33 HA ILE 33 4.691 -3.631 -4.712 268 HB ILE 33 HB ILE 33 5.020 -0.771 -5.690 269 HG12 ILE 33 1HG1 ILE 33 6.002 -3.340 -6.989 270 HG13 ILE 33 2HG1 ILE 33 4.396 -2.720 -7.317 271 HG21 ILE 33 1HG2 ILE 33 6.809 -1.351 -4.023 272 HG22 ILE 33 2HG2 ILE 33 7.214 -2.776 -5.001 273 HG23 ILE 33 3HG2 ILE 33 7.444 -1.137 -5.642 274 HD11 ILE 33 1HD1 ILE 33 6.058 -2.067 -9.039 275 HD12 ILE 33 2HD1 ILE 33 5.236 -0.692 -8.293 276 HD13 ILE 33 3HD1 ILE 33 6.902 -1.088 -7.824 277 H ILE 34 H ILE 34 3.589 -0.357 -3.629 278 HA ILE 34 HA ILE 34 5.085 -0.351 -1.208 279 HB ILE 34 HB ILE 34 2.547 1.095 -2.029 280 HG12 ILE 34 1HG1 ILE 34 5.339 2.274 -1.703 281 HG13 ILE 34 2HG1 ILE 34 4.885 1.483 -3.202 282 HG21 ILE 34 1HG2 ILE 34 2.610 1.080 0.432 283 HG22 ILE 34 2HG2 ILE 34 4.307 1.601 0.418 284 HG23 ILE 34 3HG2 ILE 34 3.017 2.679 -0.158 285 HD11 ILE 34 1HD1 ILE 34 3.449 3.885 -2.018 286 HD12 ILE 34 2HD1 ILE 34 4.548 3.875 -3.410 287 HD13 ILE 34 3HD1 ILE 34 2.986 3.040 -3.501 288 H LYS 35 H LYS 35 1.776 -1.600 -1.851 289 HA LYS 35 HA LYS 35 1.210 -2.459 0.821 290 HB2 LYS 35 1HB LYS 35 -0.403 -2.250 -1.088 291 HB3 LYS 35 2HB LYS 35 0.227 -3.742 -1.755 292 HG2 LYS 35 1HG LYS 35 -0.393 -4.940 0.346 293 HG3 LYS 35 2HG LYS 35 -1.012 -3.416 1.013 294 HD2 LYS 35 1HD LYS 35 -2.654 -3.297 -0.875 295 HD3 LYS 35 2HD LYS 35 -2.051 -4.860 -1.468 296 HE2 LYS 35 1HE LYS 35 -2.658 -5.899 0.721 297 HE3 LYS 35 2HE LYS 35 -3.281 -4.342 1.281 298 HZ1 LYS 35 1HZ LYS 35 -4.929 -4.432 -0.517 299 HZ2 LYS 35 2HZ LYS 35 -5.063 -5.753 0.429 300 HZ3 LYS 35 3HZ LYS 35 -4.352 -5.873 -1.033 301 H GLU 36 H GLU 36 3.021 -4.106 -1.802 302 HA GLU 36 HA GLU 36 3.466 -6.543 -0.301 303 HB2 GLU 36 1HB GLU 36 4.604 -5.270 -2.807 304 HB3 GLU 36 2HB GLU 36 5.243 -6.766 -2.170 305 HG2 GLU 36 1HG GLU 36 3.201 -7.941 -2.498 306 HG3 GLU 36 2HG GLU 36 2.273 -6.458 -2.700 307 H VAL 37 H VAL 37 5.223 -3.446 -0.485 308 HA VAL 37 HA VAL 37 7.580 -4.375 0.935 309 HB VAL 37 HB VAL 37 6.465 -1.552 0.731 310 HG11 VAL 37 1HG1 VAL 37 9.258 -2.502 1.522 311 HG12 VAL 37 2HG1 VAL 37 8.698 -0.819 1.385 312 HG13 VAL 37 3HG1 VAL 37 8.060 -1.870 2.652 313 HG21 VAL 37 1HG2 VAL 37 8.160 -1.198 -0.969 314 HG22 VAL 37 2HG2 VAL 37 8.729 -2.880 -0.793 315 HG23 VAL 37 3HG2 VAL 37 7.142 -2.539 -1.470 316 H CYS 38 H CYS 38 4.821 -2.377 2.068 317 HA CYS 38 HA CYS 38 5.669 -2.290 4.768 318 HB2 CYS 38 1HB CYS 38 3.433 -1.376 5.221 319 HB3 CYS 38 2HB CYS 38 4.138 -0.667 3.777 320 HG CYS 38 HG CYS 38 2.806 -2.002 2.069 321 H ASP 39 H ASP 39 3.519 -4.693 3.222 322 HA ASP 39 HA ASP 39 2.701 -6.099 5.531 323 HB2 ASP 39 1HB ASP 39 1.841 -6.399 3.209 324 HB3 ASP 39 2HB ASP 39 3.361 -7.175 2.757 325 H GLY 40 H GLY 40 5.833 -6.172 3.860 326 HA2 GLY 40 1HA GLY 40 6.936 -8.553 5.038 327 HA3 GLY 40 2HA GLY 40 7.827 -7.190 4.342 328 H TRP 41 H TRP 41 6.513 -5.287 6.284 329 HA TRP 41 HA TRP 41 7.879 -6.037 8.834 330 HB2 TRP 41 1HB TRP 41 7.443 -3.316 7.573 331 HB3 TRP 41 2HB TRP 41 8.156 -3.596 9.155 332 HD1 TRP 41 HD TRP 41 10.291 -5.692 8.747 333 HE1 TRP 41 1HE TRP 41 12.345 -5.348 7.245 334 HE3 TRP 41 3HE TRP 41 8.478 -1.976 5.719 335 HZ2 TRP 41 2HZ TRP 41 13.126 -3.648 5.066 336 HZ3 TRP 41 3HZ TRP 41 9.925 -1.005 3.939 337 HH2 TRP 41 HH TRP 41 12.220 -1.832 3.606 338 H SER 42 H SER 42 4.958 -6.322 7.738 339 HA SER 42 HA SER 42 2.844 -6.201 8.405 340 HB2 SER 42 1HB SER 42 2.291 -6.806 10.611 341 HB3 SER 42 2HB SER 42 3.801 -7.615 10.188 342 HG SER 42 HG SER 42 4.856 -5.793 11.319 343 H LEU 43 H LEU 43 4.082 -3.589 7.885 344 HA LEU 43 HA LEU 43 2.896 -1.631 9.703 345 HB2 LEU 43 1HB LEU 43 4.322 -1.539 7.041 346 HB3 LEU 43 2HB LEU 43 3.684 -0.073 7.768 347 HG LEU 43 HG LEU 43 5.698 -1.937 9.124 348 HD11 LEU 43 1HD1 LEU 43 7.429 -0.406 8.418 349 HD12 LEU 43 2HD1 LEU 43 6.245 0.633 7.593 350 HD13 LEU 43 3HD1 LEU 43 6.579 -1.009 6.997 351 HD21 LEU 43 1HD2 LEU 43 4.513 -0.447 10.703 352 HD22 LEU 43 2HD2 LEU 43 4.920 0.959 9.693 353 HD23 LEU 43 3HD2 LEU 43 6.200 0.043 10.516 354 H ALA 44 H ALA 44 0.896 -0.852 9.649 355 HA ALA 44 HA ALA 44 -1.055 -1.859 7.748 356 HB1 ALA 44 1HB ALA 44 -2.654 -0.722 9.236 357 HB2 ALA 44 2HB ALA 44 -1.495 -1.681 10.174 358 HB3 ALA 44 3HB ALA 44 -1.320 0.089 10.079 359 H ASN 45 H ASN 45 -2.703 -0.449 6.804 360 HA ASN 45 HA ASN 45 -3.399 1.107 5.300 361 HB2 ASN 45 1HB ASN 45 -2.053 3.034 7.224 362 HB3 ASN 45 2HB ASN 45 -3.387 3.392 6.132 363 HD21 ASN 45 1HD2 ASN 45 -5.433 1.963 6.516 364 HD22 ASN 45 2HD2 ASN 45 -5.804 1.659 8.205 365 H HIS 46 H HIS 46 -1.713 0.072 3.777 366 HA HIS 46 HA HIS 46 0.779 1.279 3.244 367 HB2 HIS 46 1HB HIS 46 0.812 -0.120 1.334 368 HB3 HIS 46 2HB HIS 46 -0.123 -1.000 2.547 369 HD2 HIS 46 2HD HIS 46 -0.438 0.755 -0.803 370 HE1 HIS 46 1HE HIS 46 -4.265 -0.945 -0.033 371 HE2 HIS 46 2HE HIS 46 -2.842 0.232 -1.782 372 H GLU 47 H GLU 47 -2.419 2.247 2.156 373 HA GLU 47 HA GLU 47 -1.647 3.993 0.031 374 HB2 GLU 47 1HB GLU 47 -3.903 5.028 0.443 375 HB3 GLU 47 2HB GLU 47 -3.871 3.304 0.062 376 HG2 GLU 47 1HG GLU 47 -4.302 2.664 2.306 377 HG3 GLU 47 2HG GLU 47 -3.961 4.293 2.921 378 H TYR 48 H TYR 48 -1.181 4.422 3.457 379 HA TYR 48 HA TYR 48 -0.844 7.350 3.309 380 HB2 TYR 48 1HB TYR 48 0.209 5.352 5.342 381 HB3 TYR 48 2HB TYR 48 0.221 7.093 5.498 382 HD1 TYR 48 1HD TYR 48 -2.991 6.720 4.236 383 HD2 TYR 48 2HD TYR 48 -0.614 5.741 7.708 384 HE1 TYR 48 1HE TYR 48 -5.042 6.638 5.622 385 HE2 TYR 48 2HE TYR 48 -2.664 5.692 9.099 386 HH TYR 48 HH TYR 48 -5.923 6.321 7.715 387 H PHE 49 H PHE 49 1.059 4.571 2.397 388 HA PHE 49 HA PHE 49 3.638 5.893 2.951 389 HB2 PHE 49 1HB PHE 49 2.832 3.048 2.352 390 HB3 PHE 49 2HB PHE 49 4.496 3.577 2.252 391 HD1 PHE 49 1HD PHE 49 5.848 3.925 4.178 392 HD2 PHE 49 2HD PHE 49 1.615 3.218 4.611 393 HE1 PHE 49 1HE PHE 49 6.124 3.711 6.634 394 HE2 PHE 49 2HE PHE 49 1.900 3.004 7.061 395 HZ PHE 49 HZ PHE 49 4.158 3.245 8.081 396 H ALA 50 H ALA 50 5.362 5.810 1.551 397 HA ALA 50 HA ALA 50 5.033 5.351 -1.323 398 HB1 ALA 50 1HB ALA 50 5.957 8.022 -0.153 399 HB2 ALA 50 2HB ALA 50 6.140 7.537 -1.851 400 HB3 ALA 50 3HB ALA 50 4.521 7.741 -1.173 401 H LEU 51 H LEU 51 7.080 5.126 -2.373 402 HA LEU 51 HA LEU 51 9.341 4.376 -0.592 403 HB2 LEU 51 1HB LEU 51 8.646 3.912 -3.503 404 HB3 LEU 51 2HB LEU 51 10.299 3.704 -2.924 405 HG LEU 51 HG LEU 51 7.916 2.251 -1.693 406 HD11 LEU 51 1HD1 LEU 51 8.644 0.284 -2.991 407 HD12 LEU 51 2HD1 LEU 51 9.864 1.275 -3.820 408 HD13 LEU 51 3HD1 LEU 51 8.134 1.606 -4.054 409 HD21 LEU 51 1HD2 LEU 51 9.613 0.747 -0.790 410 HD22 LEU 51 2HD2 LEU 51 9.967 2.380 -0.256 411 HD23 LEU 51 3HD2 LEU 51 10.913 1.667 -1.581 412 H GLN 52 H GLN 52 11.329 5.380 -0.771 413 HA GLN 52 HA GLN 52 11.531 7.873 -2.385 414 HB2 GLN 52 1HB GLN 52 10.725 8.345 -0.065 415 HB3 GLN 52 2HB GLN 52 12.205 7.617 0.575 416 HG2 GLN 52 1HG GLN 52 13.536 9.402 -0.558 417 HG3 GLN 52 2HG GLN 52 12.043 10.049 -1.253 418 HE21 GLN 52 1HE2 GLN 52 12.344 12.121 -0.233 419 HE22 GLN 52 2HE2 GLN 52 12.061 12.277 1.498 420 H HIS 53 H HIS 53 13.593 8.388 -3.055 421 HA HIS 53 HA HIS 53 15.479 6.202 -3.343 422 HB2 HIS 53 1HB HIS 53 15.394 9.080 -4.142 423 HB3 HIS 53 2HB HIS 53 16.971 8.298 -4.069 424 HD2 HIS 53 2HD HIS 53 13.986 8.634 -6.307 425 HE1 HIS 53 1HE HIS 53 16.408 5.596 -8.059 426 HE2 HIS 53 2HE HIS 53 14.420 7.146 -8.437 427 H ALA 54 H ALA 54 17.324 5.703 -2.361 428 HA ALA 54 HA ALA 54 18.384 7.459 -0.190 429 HB1 ALA 54 1HB ALA 54 18.061 4.437 -0.132 430 HB2 ALA 54 2HB ALA 54 18.854 5.419 1.115 431 HB3 ALA 54 3HB ALA 54 17.117 5.611 0.805 432 H ASP 55 H ASP 55 19.136 5.131 -2.804 433 HA ASP 55 HA ASP 55 22.022 5.447 -2.620 434 HB2 ASP 55 1HB ASP 55 20.973 3.570 -3.801 435 HB3 ASP 55 2HB ASP 55 20.185 4.673 -4.926 436 H SER 56 H SER 56 19.479 6.998 -4.597 437 HA SER 56 HA SER 56 21.249 9.221 -5.446 438 HB2 SER 56 1HB SER 56 19.587 8.123 -6.989 439 HB3 SER 56 2HB SER 56 18.292 8.817 -5.996 440 HG SER 56 HG SER 56 18.996 10.069 -7.889 441 H SER 57 H SER 57 19.782 11.413 -5.331 442 HA SER 57 HA SER 57 19.621 12.251 -2.552 443 HB2 SER 57 1HB SER 57 20.161 13.779 -4.433 444 HB3 SER 57 2HB SER 57 18.498 13.602 -5.027 445 HG SER 57 HG SER 57 18.827 15.467 -3.676 446 H ASN 58 H ASN 58 17.596 13.199 -1.642 447 HA ASN 58 HA ASN 58 15.792 11.038 -1.195 448 HB2 ASN 58 1HB ASN 58 14.886 12.510 0.563 449 HB3 ASN 58 2HB ASN 58 16.635 12.408 0.582 450 HD21 ASN 58 1HD2 ASN 58 14.896 15.998 -0.453 451 HD22 ASN 58 2HD2 ASN 58 14.008 14.494 -0.722 452 H PHE 59 H PHE 59 15.289 11.720 -3.907 453 HA PHE 59 HA PHE 59 12.745 13.097 -4.150 454 HB2 PHE 59 1HB PHE 59 13.802 10.959 -6.012 455 HB3 PHE 59 2HB PHE 59 12.710 12.283 -6.382 456 HD1 PHE 59 1HD PHE 59 15.994 11.116 -6.736 457 HD2 PHE 59 2HD PHE 59 13.787 14.737 -5.933 458 HE1 PHE 59 1HE PHE 59 17.904 12.472 -7.571 459 HE2 PHE 59 2HE PHE 59 15.706 16.087 -6.755 460 HZ PHE 59 HZ PHE 59 17.761 14.956 -7.582 461 H TYR 60 H TYR 60 10.674 12.300 -3.938 462 HA TYR 60 HA TYR 60 10.179 9.597 -2.941 463 HB2 TYR 60 1HB TYR 60 8.309 11.778 -3.927 464 HB3 TYR 60 2HB TYR 60 7.780 10.223 -3.305 465 HD1 TYR 60 1HD TYR 60 8.962 13.555 -2.395 466 HD2 TYR 60 2HD TYR 60 8.225 9.560 -0.933 467 HE1 TYR 60 1HE TYR 60 9.008 14.403 -0.056 468 HE2 TYR 60 2HE TYR 60 8.250 10.423 1.408 469 HH TYR 60 HH TYR 60 8.934 13.856 2.168 470 H ILE 61 H ILE 61 9.275 7.860 -4.061 471 HA ILE 61 HA ILE 61 9.662 7.794 -6.979 472 HB ILE 61 HB ILE 61 8.615 5.677 -5.078 473 HG12 ILE 61 1HG1 ILE 61 10.898 6.098 -4.462 474 HG13 ILE 61 2HG1 ILE 61 10.846 4.603 -5.371 475 HG21 ILE 61 1HG2 ILE 61 9.133 4.102 -6.942 476 HG22 ILE 61 2HG2 ILE 61 7.840 5.231 -7.333 477 HG23 ILE 61 3HG2 ILE 61 9.462 5.495 -7.996 478 HD11 ILE 61 1HD1 ILE 61 11.679 5.885 -7.404 479 HD12 ILE 61 2HD1 ILE 61 11.845 7.312 -6.356 480 HD13 ILE 61 3HD1 ILE 61 12.793 5.856 -6.027 481 H THR 62 H THR 62 8.129 7.913 -8.485 482 HA THR 62 HA THR 62 5.241 8.000 -7.812 483 HB THR 62 HB THR 62 4.837 10.007 -9.009 484 HG1 THR 62 1HG THR 62 6.544 11.189 -9.946 485 HG21 THR 62 1HG2 THR 62 5.662 10.390 -6.671 486 HG22 THR 62 2HG2 THR 62 5.946 11.749 -7.772 487 HG23 THR 62 3HG2 THR 62 7.289 10.675 -7.334 488 H GLU 63 H GLU 63 3.930 8.019 -9.908 489 HA GLU 63 HA GLU 63 4.633 5.819 -11.525 490 HB2 GLU 63 1HB GLU 63 2.678 8.060 -12.186 491 HB3 GLU 63 2HB GLU 63 2.740 6.453 -12.901 492 HG2 GLU 63 1HG GLU 63 1.141 5.965 -11.393 493 HG3 GLU 63 2HG GLU 63 2.495 5.681 -10.328 494 H LYS 64 H LYS 64 5.637 9.124 -11.878 495 HA LYS 64 HA LYS 64 6.817 8.628 -14.571 496 HB2 LYS 64 1HB LYS 64 5.621 10.756 -14.195 497 HB3 LYS 64 2HB LYS 64 6.681 11.134 -12.841 498 HG2 LYS 64 1HG LYS 64 7.328 12.401 -14.797 499 HG3 LYS 64 2HG LYS 64 8.622 11.283 -14.369 500 HD2 LYS 64 1HD LYS 64 7.941 9.760 -16.200 501 HD3 LYS 64 2HD LYS 64 6.561 10.819 -16.577 502 HE2 LYS 64 1HE LYS 64 8.146 12.676 -17.067 503 HE3 LYS 64 2HE LYS 64 9.509 11.610 -16.701 504 HZ1 LYS 64 1HZ LYS 64 9.079 11.714 -19.089 505 HZ2 LYS 64 2HZ LYS 64 7.550 11.180 -18.899 506 HZ3 LYS 64 3HZ LYS 64 8.811 10.193 -18.564 507 H ASN 65 H ASN 65 7.845 9.414 -11.217 508 HA ASN 65 HA ASN 65 10.625 9.607 -11.993 509 HB2 ASN 65 1HB ASN 65 9.438 10.937 -10.175 510 HB3 ASN 65 2HB ASN 65 9.471 9.483 -9.177 511 HD21 ASN 65 1HD2 ASN 65 10.936 10.226 -7.578 512 HD22 ASN 65 2HD2 ASN 65 12.591 10.665 -7.997 513 H ARG 66 H ARG 66 8.687 6.915 -10.972 514 HA ARG 66 HA ARG 66 10.605 5.087 -9.993 515 HB2 ARG 66 1HB ARG 66 9.090 3.365 -10.794 516 HB3 ARG 66 2HB ARG 66 8.180 4.683 -10.067 517 HG2 ARG 66 1HG ARG 66 7.701 5.597 -12.371 518 HG3 ARG 66 2HG ARG 66 8.536 4.225 -13.071 519 HD2 ARG 66 1HD ARG 66 6.031 4.159 -11.359 520 HD3 ARG 66 2HD ARG 66 6.127 3.876 -13.108 521 HE ARG 66 HE ARG 66 7.846 1.995 -11.958 522 HH11 ARG 66 1HH1 ARG 66 4.378 2.521 -12.132 523 HH12 ARG 66 2HH1 ARG 66 4.064 0.866 -11.624 524 HH21 ARG 66 1HH2 ARG 66 5.596 -0.492 -11.185 525 HH22 ARG 66 2HH2 ARG 66 7.279 -0.022 -11.166 526 H ASN 67 H ASN 67 10.342 6.295 -13.267 527 HA ASN 67 HA ASN 67 11.873 4.214 -14.553 528 HB2 ASN 67 1HB ASN 67 11.326 7.119 -15.314 529 HB3 ASN 67 2HB ASN 67 12.089 5.930 -16.368 530 HD21 ASN 67 1HD2 ASN 67 9.062 7.138 -15.239 531 HD22 ASN 67 2HD2 ASN 67 8.070 5.930 -16.058 532 H GLU 68 H GLU 68 12.898 6.761 -12.406 533 HA GLU 68 HA GLU 68 15.700 6.739 -13.300 534 HB2 GLU 68 1HB GLU 68 14.447 7.802 -10.737 535 HB3 GLU 68 2HB GLU 68 16.085 8.101 -11.298 536 HG2 GLU 68 1HG GLU 68 13.503 9.085 -12.564 537 HG3 GLU 68 2HG GLU 68 14.744 10.044 -11.764 538 H ILE 69 H ILE 69 13.796 4.520 -11.503 539 HA ILE 69 HA ILE 69 15.894 3.532 -9.738 540 HB ILE 69 HB ILE 69 13.327 2.209 -10.683 541 HG12 ILE 69 1HG1 ILE 69 13.880 3.642 -8.036 542 HG13 ILE 69 2HG1 ILE 69 12.989 4.362 -9.371 543 HG21 ILE 69 1HG2 ILE 69 13.631 0.657 -8.834 544 HG22 ILE 69 2HG2 ILE 69 15.061 0.598 -9.844 545 HG23 ILE 69 3HG2 ILE 69 15.106 1.503 -8.319 546 HD11 ILE 69 1HD1 ILE 69 11.395 3.537 -7.788 547 HD12 ILE 69 2HD1 ILE 69 11.302 2.520 -9.237 548 HD13 ILE 69 3HD1 ILE 69 12.124 1.933 -7.772 549 H LYS 70 H LYS 70 17.389 2.092 -10.151 550 HA LYS 70 HA LYS 70 17.435 0.510 -12.688 551 HB2 LYS 70 1HB LYS 70 19.892 0.738 -12.712 552 HB3 LYS 70 2HB LYS 70 19.109 2.319 -12.799 553 HG2 LYS 70 1HG LYS 70 19.488 2.663 -10.388 554 HG3 LYS 70 2HG LYS 70 20.253 1.068 -10.256 555 HD2 LYS 70 1HD LYS 70 22.033 1.849 -11.830 556 HD3 LYS 70 2HD LYS 70 21.294 3.460 -11.834 557 HE2 LYS 70 1HE LYS 70 22.354 1.958 -9.391 558 HE3 LYS 70 2HE LYS 70 23.193 3.275 -10.214 559 HZ1 LYS 70 1HZ LYS 70 20.542 3.562 -8.901 560 HZ2 LYS 70 2HZ LYS 70 21.438 4.778 -9.544 561 HZ3 LYS 70 3HZ LYS 70 21.940 3.986 -8.196 562 H ASN 71 H ASN 71 18.818 -1.481 -12.519 563 HA ASN 71 HA ASN 71 18.062 -3.144 -10.328 564 HB2 ASN 71 1HB ASN 71 20.391 -3.459 -12.271 565 HB3 ASN 71 2HB ASN 71 19.733 -4.730 -11.245 566 HD21 ASN 71 1HD2 ASN 71 17.986 -5.937 -12.053 567 HD22 ASN 71 2HD2 ASN 71 17.144 -5.498 -13.532 568 H GLY 72 H GLY 72 18.757 -3.206 -8.302 569 HA2 GLY 72 1HA GLY 72 20.295 -3.358 -6.539 570 HA3 GLY 72 2HA GLY 72 21.567 -2.662 -7.538 571 H THR 73 H THR 73 18.623 -0.810 -7.647 572 HA THR 73 HA THR 73 19.825 1.461 -6.325 573 HB THR 73 HB THR 73 16.903 0.957 -6.977 574 HG1 THR 73 1HG THR 73 18.191 0.973 -8.756 575 HG21 THR 73 1HG2 THR 73 16.684 3.418 -6.977 576 HG22 THR 73 2HG2 THR 73 18.341 3.575 -6.356 577 HG23 THR 73 3HG2 THR 73 17.072 2.818 -5.366 578 H ILE 74 H ILE 74 19.889 2.064 -4.234 579 HA ILE 74 HA ILE 74 18.381 0.549 -2.206 580 HB ILE 74 HB ILE 74 20.221 2.892 -1.706 581 HG12 ILE 74 1HG1 ILE 74 20.955 -0.074 -1.598 582 HG13 ILE 74 2HG1 ILE 74 21.439 1.014 -2.899 583 HG21 ILE 74 1HG2 ILE 74 20.259 2.028 0.586 584 HG22 ILE 74 2HG2 ILE 74 18.582 2.238 0.109 585 HG23 ILE 74 3HG2 ILE 74 19.287 0.620 0.110 586 HD11 ILE 74 1HD1 ILE 74 22.634 2.459 -1.277 587 HD12 ILE 74 2HD1 ILE 74 22.304 1.253 -0.005 588 HD13 ILE 74 3HD1 ILE 74 23.284 0.813 -1.412 589 H LEU 75 H LEU 75 16.506 1.153 -1.479 590 HA LEU 75 HA LEU 75 15.475 3.948 -1.774 591 HB2 LEU 75 1HB LEU 75 13.924 1.344 -1.954 592 HB3 LEU 75 2HB LEU 75 13.224 2.956 -2.028 593 HG LEU 75 HG LEU 75 15.066 1.717 -4.120 594 HD11 LEU 75 1HD1 LEU 75 12.099 2.405 -4.185 595 HD12 LEU 75 2HD1 LEU 75 12.776 0.769 -4.036 596 HD13 LEU 75 3HD1 LEU 75 13.051 1.710 -5.510 597 HD21 LEU 75 1HD2 LEU 75 13.643 4.419 -4.049 598 HD22 LEU 75 2HD2 LEU 75 14.399 3.707 -5.493 599 HD23 LEU 75 3HD2 LEU 75 15.400 4.131 -4.108 600 H ARG 76 H ARG 76 13.641 4.296 -0.180 601 HA ARG 76 HA ARG 76 13.765 2.709 2.329 602 HB2 ARG 76 1HB ARG 76 15.350 4.543 2.612 603 HB3 ARG 76 2HB ARG 76 14.143 5.717 2.071 604 HG2 ARG 76 1HG ARG 76 12.788 5.329 4.046 605 HG3 ARG 76 2HG ARG 76 13.786 3.959 4.525 606 HD2 ARG 76 1HD ARG 76 14.191 6.081 5.844 607 HD3 ARG 76 2HD ARG 76 15.616 5.334 5.128 608 HE ARG 76 HE ARG 76 16.027 7.290 4.051 609 HH11 ARG 76 1HH1 ARG 76 12.531 7.316 4.491 610 HH12 ARG 76 2HH1 ARG 76 12.379 8.749 3.476 611 HH21 ARG 76 1HH2 ARG 76 15.678 9.181 2.912 612 HH22 ARG 76 2HH2 ARG 76 14.029 9.752 2.729 613 H LEU 77 H LEU 77 11.842 2.452 3.299 614 HA LEU 77 HA LEU 77 9.389 3.418 1.979 615 HB2 LEU 77 1HB LEU 77 9.498 1.141 2.787 616 HB3 LEU 77 2HB LEU 77 9.933 1.675 4.409 617 HG LEU 77 HG LEU 77 7.641 2.761 4.527 618 HD11 LEU 77 1HD1 LEU 77 7.282 1.147 1.944 619 HD12 LEU 77 2HD1 LEU 77 7.104 2.905 2.114 620 HD13 LEU 77 3HD1 LEU 77 5.946 1.810 2.891 621 HD21 LEU 77 1HD2 LEU 77 8.134 0.586 5.552 622 HD22 LEU 77 2HD2 LEU 77 7.707 -0.224 4.031 623 HD23 LEU 77 3HD2 LEU 77 6.468 0.665 4.946 624 H THR 78 H THR 78 8.042 5.030 2.706 625 HA THR 78 HA THR 78 8.407 6.295 5.343 626 HB THR 78 HB THR 78 10.181 7.330 4.072 627 HG1 THR 78 1HG THR 78 9.194 8.747 5.392 628 HG21 THR 78 1HG2 THR 78 8.105 8.081 1.978 629 HG22 THR 78 2HG2 THR 78 9.516 7.022 1.756 630 HG23 THR 78 3HG2 THR 78 9.757 8.733 2.081 631 H THR 79 H THR 79 6.637 7.774 5.898 632 HA THR 79 HA THR 79 4.134 7.261 4.463 633 HB THR 79 HB THR 79 3.214 9.043 5.991 634 HG1 THR 79 1HG THR 79 5.197 10.008 6.565 635 HG21 THR 79 1HG2 THR 79 4.459 6.579 7.267 636 HG22 THR 79 2HG2 THR 79 2.899 6.650 6.416 637 HG23 THR 79 3HG2 THR 79 3.115 7.545 7.924 638 H SER 80 H SER 80 3.285 8.390 2.869 639 HA SER 80 HA SER 80 4.852 10.230 1.341 640 HB2 SER 80 1HB SER 80 3.230 8.679 0.352 641 HB3 SER 80 2HB SER 80 1.903 9.506 1.183 642 HG SER 80 HG SER 80 2.306 10.169 -1.055 643 HA PRO 81 HA PRO 81 3.567 14.157 3.223 644 HB2 PRO 81 1HB PRO 81 3.816 15.100 0.359 645 HB3 PRO 81 2HB PRO 81 4.396 15.895 1.857 646 HG2 PRO 81 1HG PRO 81 6.124 14.548 0.291 647 HG3 PRO 81 2HG PRO 81 6.178 14.309 2.071 648 HD2 PRO 81 1HD PRO 81 4.875 12.544 -0.023 649 HD3 PRO 81 2HD PRO 81 5.909 12.085 1.366 650 H ALA 82 H ALA 82 2.010 12.822 0.314 651 HA ALA 82 HA ALA 82 -0.313 14.397 0.186 652 HB1 ALA 82 1HB ALA 82 -1.219 12.502 -1.094 653 HB2 ALA 82 2HB ALA 82 0.469 12.800 -1.541 654 HB3 ALA 82 3HB ALA 82 0.058 11.442 -0.468 655 H GLN 83 H GLN 83 0.452 11.999 2.660 656 HA GLN 83 HA GLN 83 -2.303 11.527 3.447 657 HB2 GLN 83 1HB GLN 83 -1.470 10.200 5.157 658 HB3 GLN 83 2HB GLN 83 -0.343 9.997 3.839 659 HG2 GLN 83 1HG GLN 83 1.223 10.304 5.432 660 HG3 GLN 83 2HG GLN 83 0.939 12.011 5.116 661 HE21 GLN 83 1HE2 GLN 83 1.772 12.444 7.290 662 HE22 GLN 83 2HE2 GLN 83 0.741 12.143 8.682 663 H ASN 84 H ASN 84 -0.359 14.292 3.781 664 HA ASN 84 HA ASN 84 -2.242 15.424 5.794 665 HB2 ASN 84 1HB ASN 84 -0.251 14.722 7.042 666 HB3 ASN 84 2HB ASN 84 0.797 15.599 5.925 667 HD21 ASN 84 1HD2 ASN 84 1.554 17.425 6.954 668 HD22 ASN 84 2HD2 ASN 84 0.561 18.463 7.966 669 H ALA 85 H ALA 85 0.529 16.433 3.696 670 HA ALA 85 HA ALA 85 -1.071 18.302 2.199 671 HB1 ALA 85 1HB ALA 85 0.104 20.367 2.940 672 HB2 ALA 85 2HB ALA 85 -0.842 19.658 4.256 673 HB3 ALA 85 3HB ALA 85 0.921 19.444 4.218 674 H GLN 86 H GLN 86 -0.110 18.727 0.265 675 HA GLN 86 HA GLN 86 2.813 18.541 -0.081 676 HB2 GLN 86 1HB GLN 86 1.911 16.236 -0.364 677 HB3 GLN 86 2HB GLN 86 0.933 16.791 -1.723 678 HG2 GLN 86 1HG GLN 86 2.952 17.383 -2.991 679 HG3 GLN 86 2HG GLN 86 3.971 17.089 -1.582 680 HE21 GLN 86 1HE2 GLN 86 4.420 14.096 -3.639 681 HE22 GLN 86 2HE2 GLN 86 4.885 15.792 -3.674 682 H GLN 87 H GLN 87 2.336 20.837 -0.201 683 HA GLN 87 HA GLN 87 0.767 21.962 -2.354 684 HB2 GLN 87 1HB GLN 87 2.853 23.219 -0.526 685 HB3 GLN 87 2HB GLN 87 1.785 24.102 -1.628 686 HG2 GLN 87 1HG GLN 87 -0.199 23.178 -0.413 687 HG3 GLN 87 2HG GLN 87 0.884 22.403 0.745 688 HE21 GLN 87 1HE2 GLN 87 -0.885 24.007 1.918 689 HE22 GLN 87 2HE2 GLN 87 -0.155 25.544 2.363 690 H LEU 88 H LEU 88 1.435 23.126 -4.161 691 HA LEU 88 HA LEU 88 3.767 22.234 -5.625 692 HB2 LEU 88 1HB LEU 88 1.615 22.836 -6.653 693 HB3 LEU 88 2HB LEU 88 1.822 24.504 -6.119 694 HG LEU 88 HG LEU 88 3.798 24.754 -7.594 695 HD11 LEU 88 1HD1 LEU 88 4.651 22.423 -7.676 696 HD12 LEU 88 2HD1 LEU 88 4.284 23.004 -9.298 697 HD13 LEU 88 3HD1 LEU 88 3.157 21.898 -8.482 698 HD21 LEU 88 1HD2 LEU 88 1.364 23.576 -8.979 699 HD22 LEU 88 2HD2 LEU 88 2.577 24.650 -9.720 700 HD23 LEU 88 3HD2 LEU 88 1.534 25.256 -8.419 701 H HIS 89 H HIS 89 5.604 23.490 -6.244 702 HA HIS 89 HA HIS 89 6.207 25.973 -4.740 703 HB2 HIS 89 1HB HIS 89 8.388 25.107 -4.048 704 HB3 HIS 89 2HB HIS 89 7.068 24.186 -3.342 705 HD2 HIS 89 2HD HIS 89 6.862 21.611 -3.966 706 HE1 HIS 89 1HE HIS 89 10.287 21.323 -6.492 707 HE2 HIS 89 2HE HIS 89 8.483 19.996 -5.279 708 H GLU 90 H GLU 90 8.045 27.139 -5.532 709 HA GLU 90 HA GLU 90 7.847 27.366 -8.426 710 HB2 GLU 90 1HB GLU 90 9.289 29.060 -6.358 711 HB3 GLU 90 2HB GLU 90 9.099 29.463 -8.076 712 HG2 GLU 90 1HG GLU 90 6.607 29.357 -7.774 713 HG3 GLU 90 2HG GLU 90 6.860 29.167 -6.034 714 H ARG 91 H ARG 91 8.962 25.141 -8.566 715 HA ARG 91 HA ARG 91 11.797 24.919 -8.341 716 HB2 ARG 91 1HB ARG 91 10.068 23.084 -8.464 717 HB3 ARG 91 2HB ARG 91 9.971 23.327 -10.200 718 HG2 ARG 91 1HG ARG 91 12.733 22.915 -9.092 719 HG3 ARG 91 2HG ARG 91 11.639 21.555 -8.883 720 HD2 ARG 91 1HD ARG 91 11.277 21.288 -11.212 721 HD3 ARG 91 2HD ARG 91 12.007 22.828 -11.620 722 HE ARG 91 HE ARG 91 13.383 20.306 -11.022 723 HH11 ARG 91 1HH1 ARG 91 13.897 23.775 -11.283 724 HH12 ARG 91 2HH1 ARG 91 15.611 23.580 -11.587 725 HH21 ARG 91 1HH2 ARG 91 15.581 20.161 -11.420 726 HH22 ARG 91 2HH2 ARG 91 16.502 21.617 -11.687 727 H ILE 92 H ILE 92 10.332 26.997 -10.431 728 HA ILE 92 HA ILE 92 11.732 26.773 -12.890 729 HB ILE 92 HB ILE 92 10.744 29.200 -11.344 730 HG12 ILE 92 1HG1 ILE 92 9.515 27.790 -13.761 731 HG13 ILE 92 2HG1 ILE 92 9.055 27.436 -12.101 732 HG21 ILE 92 1HG2 ILE 92 10.849 30.456 -13.494 733 HG22 ILE 92 2HG2 ILE 92 12.442 29.982 -12.948 734 HG23 ILE 92 3HG2 ILE 92 11.655 29.069 -14.255 735 HD11 ILE 92 1HD1 ILE 92 7.425 28.928 -12.993 736 HD12 ILE 92 2HD1 ILE 92 8.366 29.816 -11.781 737 HD13 ILE 92 3HD1 ILE 92 8.649 30.088 -13.519 738 H GLN 93 H GLN 93 12.802 28.076 -9.771 739 HA GLN 93 HA GLN 93 15.473 28.793 -10.819 740 HB2 GLN 93 1HB GLN 93 15.880 29.740 -8.646 741 HB3 GLN 93 2HB GLN 93 14.336 30.298 -9.279 742 HG2 GLN 93 1HG GLN 93 13.505 28.137 -7.782 743 HG3 GLN 93 2HG GLN 93 14.923 28.624 -6.871 744 HE21 GLN 93 1HE2 GLN 93 11.627 29.053 -7.126 745 HE22 GLN 93 2HE2 GLN 93 11.507 30.644 -6.368 746 H SER 94 H SER 94 17.247 27.587 -10.648 747 HA SER 94 HA SER 94 17.808 25.871 -8.423 748 HB2 SER 94 1HB SER 94 18.239 23.773 -9.689 749 HB3 SER 94 2HB SER 94 16.534 24.183 -9.543 750 HG SER 94 HG SER 94 18.193 24.540 -11.841 751 H SER 95 H SER 95 20.027 25.231 -8.338 752 HA SER 95 HA SER 95 21.819 27.119 -9.599 753 HB2 SER 95 1HB SER 95 22.134 26.319 -7.299 754 HB3 SER 95 2HB SER 95 22.437 24.677 -7.902 755 HG SER 95 HG SER 95 24.358 25.939 -7.494 756 H SER 96 H SER 96 23.571 26.753 -10.961 757 HA SER 96 HA SER 96 23.356 24.640 -12.987 758 HB2 SER 96 1HB SER 96 25.271 25.819 -13.999 759 HB3 SER 96 2HB SER 96 23.927 26.915 -13.644 760 HG SER 96 HG SER 96 25.945 27.786 -12.985 761 H MET 97 H MET 97 24.753 24.768 -9.904 762 HA MET 97 HA MET 97 26.698 22.579 -10.507 763 HB2 MET 97 1HB MET 97 27.180 25.012 -8.744 764 HB3 MET 97 2HB MET 97 28.258 23.617 -8.879 765 HG2 MET 97 1HG MET 97 28.505 24.063 -11.315 766 HG3 MET 97 2HG MET 97 27.548 25.532 -11.132 767 HE1 MET 97 1HE MET 97 29.836 27.917 -9.102 768 HE2 MET 97 2HE MET 97 28.316 27.714 -10.000 769 HE3 MET 97 3HE MET 97 28.549 26.890 -8.440 770 H ASP 98 H ASP 98 27.402 21.409 -8.531 771 HA ASP 98 HA ASP 98 25.596 21.420 -6.226 772 HB2 ASP 98 1HB ASP 98 24.540 19.981 -8.084 773 HB3 ASP 98 2HB ASP 98 25.890 18.872 -7.860 774 H ALA 99 H ALA 99 26.310 19.782 -4.585 775 HA ALA 99 HA ALA 99 29.209 19.854 -4.189 776 HB1 ALA 99 1HB ALA 99 26.965 18.567 -2.574 777 HB2 ALA 99 2HB ALA 99 28.643 18.789 -2.036 778 HB3 ALA 99 3HB ALA 99 27.618 20.204 -2.334 779 H LYS 100 H LYS 100 30.492 17.988 -3.725 780 HA LYS 100 HA LYS 100 31.478 16.020 -4.142 781 HB2 LYS 100 1HB LYS 100 29.373 15.503 -2.683 782 HB3 LYS 100 2HB LYS 100 28.797 14.646 -4.115 783 HG2 LYS 100 1HG LYS 100 30.876 13.229 -4.043 784 HG3 LYS 100 2HG LYS 100 31.424 14.148 -2.631 785 HD2 LYS 100 1HD LYS 100 29.426 13.377 -1.358 786 HD3 LYS 100 2HD LYS 100 28.847 12.523 -2.792 787 HE2 LYS 100 1HE LYS 100 29.845 10.891 -1.371 788 HE3 LYS 100 2HE LYS 100 30.903 11.102 -2.767 789 HZ1 LYS 100 1HZ LYS 100 31.339 12.336 -0.094 790 HZ2 LYS 100 2HZ LYS 100 32.341 12.503 -1.376 791 HZ3 LYS 100 3HZ LYS 100 32.148 11.045 -0.673 792 H LEU 101 H LEU 101 30.585 17.493 -6.562 793 HA LEU 101 HA LEU 101 30.262 15.422 -8.628 794 HB2 LEU 101 1HB LEU 101 30.859 18.402 -8.818 795 HB3 LEU 101 2HB LEU 101 30.556 17.348 -10.195 796 HG LEU 101 HG LEU 101 28.538 17.993 -8.002 797 HD11 LEU 101 1HD1 LEU 101 28.706 18.854 -10.924 798 HD12 LEU 101 2HD1 LEU 101 29.026 19.885 -9.514 799 HD13 LEU 101 3HD1 LEU 101 27.395 19.250 -9.792 800 HD21 LEU 101 1HD2 LEU 101 26.894 16.912 -9.525 801 HD22 LEU 101 2HD2 LEU 101 28.078 15.764 -8.902 802 HD23 LEU 101 3HD2 LEU 101 28.231 16.374 -10.567 803 H GLU 102 H GLU 102 32.921 16.962 -7.038 804 HA GLU 102 HA GLU 102 34.938 16.336 -9.037 805 HB2 GLU 102 1HB GLU 102 36.497 17.239 -7.557 806 HB3 GLU 102 2HB GLU 102 35.076 18.252 -7.427 807 HG2 GLU 102 1HG GLU 102 36.028 16.148 -5.433 808 HG3 GLU 102 2HG GLU 102 36.178 17.887 -5.268 809 H ALA 103 H ALA 103 36.690 14.857 -8.824 810 HA ALA 103 HA ALA 103 36.577 12.686 -6.861 811 HB1 ALA 103 1HB ALA 103 36.171 12.146 -9.839 812 HB2 ALA 103 2HB ALA 103 36.404 10.913 -8.582 813 HB3 ALA 103 3HB ALA 103 34.951 11.927 -8.565 814 H LEU 104 H LEU 104 38.441 11.347 -6.872 815 HA LEU 104 HA LEU 104 40.921 12.591 -7.770 816 HB2 LEU 104 1HB LEU 104 42.022 10.832 -6.561 817 HB3 LEU 104 2HB LEU 104 40.711 11.491 -5.613 818 HG LEU 104 HG LEU 104 39.338 9.404 -6.551 819 HD11 LEU 104 1HD1 LEU 104 41.060 8.491 -8.076 820 HD12 LEU 104 2HD1 LEU 104 40.787 7.387 -6.735 821 HD13 LEU 104 3HD1 LEU 104 42.229 8.424 -6.740 822 HD21 LEU 104 1HD2 LEU 104 40.068 8.111 -4.588 823 HD22 LEU 104 2HD2 LEU 104 39.871 9.823 -4.188 824 HD23 LEU 104 3HD2 LEU 104 41.501 9.152 -4.423 825 H LYS 105 H LYS 105 42.601 11.316 -8.913 826 HA LYS 105 HA LYS 105 41.687 9.299 -10.852 827 HB2 LYS 105 1HB LYS 105 42.540 10.451 -12.804 828 HB3 LYS 105 2HB LYS 105 41.263 11.397 -12.040 829 HG2 LYS 105 1HG LYS 105 42.988 12.873 -10.996 830 HG3 LYS 105 2HG LYS 105 44.263 11.924 -11.787 831 HD2 LYS 105 1HD LYS 105 43.336 12.520 -14.008 832 HD3 LYS 105 2HD LYS 105 42.060 13.474 -13.217 833 HE2 LYS 105 1HE LYS 105 43.799 14.907 -12.161 834 HE3 LYS 105 2HE LYS 105 45.064 13.960 -12.953 835 HZ1 LYS 105 1HZ LYS 105 42.989 15.552 -14.370 836 HZ2 LYS 105 2HZ LYS 105 44.158 14.676 -15.103 837 HZ3 LYS 105 3HZ LYS 105 44.554 15.979 -14.204 838 H ASP 106 H ASP 106 43.319 8.124 -11.866 839 HA ASP 106 HA ASP 106 45.897 7.956 -10.410 840 HB2 ASP 106 1HB ASP 106 46.141 5.800 -11.508 841 HB3 ASP 106 2HB ASP 106 44.653 5.902 -10.590 842 H LEU 107 H LEU 107 47.749 7.236 -11.928 843 HA LEU 107 HA LEU 107 47.879 8.838 -14.439 844 HB2 LEU 107 1HB LEU 107 50.020 8.629 -12.291 845 HB3 LEU 107 2HB LEU 107 50.264 9.344 -13.879 846 HG LEU 107 HG LEU 107 48.295 10.412 -11.803 847 HD11 LEU 107 1HD1 LEU 107 51.057 11.411 -12.605 848 HD12 LEU 107 2HD1 LEU 107 50.634 10.631 -11.064 849 HD13 LEU 107 3HD1 LEU 107 49.938 12.207 -11.474 850 HD21 LEU 107 1HD2 LEU 107 48.293 12.441 -13.233 851 HD22 LEU 107 2HD2 LEU 107 47.653 11.045 -14.102 852 HD23 LEU 107 3HD2 LEU 107 49.310 11.603 -14.426 853 H ALA 108 H ALA 108 49.265 8.032 -16.041 854 HA ALA 108 HA ALA 108 50.381 5.318 -15.825 855 HB1 ALA 108 1HB ALA 108 48.910 4.433 -17.607 856 HB2 ALA 108 2HB ALA 108 47.954 4.943 -16.210 857 HB3 ALA 108 3HB ALA 108 48.024 5.972 -17.657 858 H SER 109 H SER 109 51.219 4.595 -18.028 859 HA SER 109 HA SER 109 52.006 6.740 -19.895 860 HB2 SER 109 1HB SER 109 53.814 6.810 -18.277 861 HB3 SER 109 2HB SER 109 54.022 5.051 -18.372 862 HG SER 109 HG SER 109 55.504 6.357 -19.674 863 H LEU 110 H LEU 110 52.582 6.019 -21.925 864 HA LEU 110 HA LEU 110 51.675 3.350 -22.753 865 HB2 LEU 110 1HB LEU 110 53.009 5.597 -24.320 866 HB3 LEU 110 2HB LEU 110 52.263 4.160 -25.014 867 HG LEU 110 HG LEU 110 50.792 6.362 -23.496 868 HD11 LEU 110 1HD1 LEU 110 51.598 7.029 -25.733 869 HD12 LEU 110 2HD1 LEU 110 49.833 6.893 -25.688 870 HD13 LEU 110 3HD1 LEU 110 50.799 5.609 -26.447 871 HD21 LEU 110 1HD2 LEU 110 49.630 4.220 -23.176 872 HD22 LEU 110 2HD2 LEU 110 49.723 3.883 -24.921 873 HD23 LEU 110 3HD2 LEU 110 48.732 5.229 -24.313 874 H SER 111 H SER 111 54.619 4.536 -21.528 875 HA SER 111 HA SER 111 56.782 3.908 -21.577 876 HB2 SER 111 1HB SER 111 55.670 1.861 -20.616 877 HB3 SER 111 2HB SER 111 55.812 1.111 -22.211 878 HG SER 111 HG SER 111 57.873 1.967 -20.436 879 H ARG 112 H ARG 112 56.222 5.237 -23.720 880 HA ARG 112 HA ARG 112 56.489 4.046 -26.271 881 HB2 ARG 112 1HB ARG 112 55.509 6.307 -25.702 882 HB3 ARG 112 2HB ARG 112 57.141 6.892 -25.418 883 HG2 ARG 112 1HG ARG 112 56.572 7.684 -27.527 884 HG3 ARG 112 2HG ARG 112 57.658 6.348 -27.874 885 HD2 ARG 112 1HD ARG 112 54.610 6.171 -27.937 886 HD3 ARG 112 2HD ARG 112 55.596 6.575 -29.340 887 HE ARG 112 HE ARG 112 56.721 4.326 -29.078 888 HH11 ARG 112 1HH1 ARG 112 53.367 4.662 -28.057 889 HH12 ARG 112 2HH1 ARG 112 53.074 2.958 -28.284 890 HH21 ARG 112 1HH2 ARG 112 56.319 2.322 -29.301 891 HH22 ARG 112 2HH2 ARG 112 54.726 1.619 -29.002 892 H ASP 113 H ASP 113 58.119 3.567 -27.586 893 HA ASP 113 HA ASP 113 60.860 3.349 -26.681 894 HB2 ASP 113 1HB ASP 113 61.238 2.464 -28.965 895 HB3 ASP 113 2HB ASP 113 59.981 1.631 -28.070 Start of MODEL 15 1 H1 GLY 0 1H GLY 0 11.849 -4.325 -32.748 2 H2 GLY 0 2H GLY 0 12.288 -5.567 -31.771 3 H3 GLY 0 3H GLY 0 12.090 -4.067 -31.146 4 HA2 GLY 0 1HA GLY 0 9.735 -4.102 -31.624 5 HA3 GLY 0 2HA GLY 0 9.945 -5.720 -32.317 6 H MET 1 H MET 1 8.186 -5.068 -30.223 7 HA MET 1 HA MET 1 7.399 -5.669 -28.245 8 HB2 MET 1 1HB MET 1 9.578 -7.776 -28.140 9 HB3 MET 1 2HB MET 1 8.162 -7.722 -27.114 10 HG2 MET 1 1HG MET 1 8.156 -8.047 -30.135 11 HG3 MET 1 2HG MET 1 7.898 -9.319 -28.955 12 HE1 MET 1 1HE MET 1 4.346 -8.619 -27.537 13 HE2 MET 1 2HE MET 1 5.736 -9.724 -27.584 14 HE3 MET 1 3HE MET 1 5.882 -8.137 -26.793 15 HA PRO 2 HA PRO 2 9.198 -3.333 -25.063 16 HB2 PRO 2 1HB PRO 2 8.345 -5.388 -23.033 17 HB3 PRO 2 2HB PRO 2 8.096 -3.614 -23.024 18 HG2 PRO 2 1HG PRO 2 6.071 -5.254 -23.747 19 HG3 PRO 2 2HG PRO 2 6.400 -3.778 -24.716 20 HD2 PRO 2 1HD PRO 2 7.278 -6.628 -25.274 21 HD3 PRO 2 2HD PRO 2 6.502 -5.451 -26.376 22 HA PRO 3 HA PRO 3 13.266 -5.094 -24.238 23 HB2 PRO 3 1HB PRO 3 13.491 -2.854 -22.226 24 HB3 PRO 3 2HB PRO 3 14.661 -3.361 -23.485 25 HG2 PRO 3 1HG PRO 3 13.103 -1.182 -23.876 26 HG3 PRO 3 2HG PRO 3 13.342 -2.357 -25.212 27 HD2 PRO 3 1HD PRO 3 10.992 -2.144 -23.303 28 HD3 PRO 3 2HD PRO 3 11.002 -2.317 -25.086 29 HA PRO 4 HA PRO 4 12.646 -7.393 -20.453 30 HB2 PRO 4 1HB PRO 4 15.048 -8.669 -20.122 31 HB3 PRO 4 2HB PRO 4 13.976 -9.005 -21.514 32 HG2 PRO 4 1HG PRO 4 16.330 -7.081 -21.412 33 HG3 PRO 4 2HG PRO 4 16.024 -8.382 -22.609 34 HD2 PRO 4 1HD PRO 4 15.315 -5.794 -23.085 35 HD3 PRO 4 2HD PRO 4 14.294 -7.155 -23.641 36 H ALA 5 H ALA 5 14.224 -4.625 -20.437 37 HA ALA 5 HA ALA 5 15.382 -4.619 -17.737 38 HB1 ALA 5 1HB ALA 5 14.955 -2.366 -19.750 39 HB2 ALA 5 2HB ALA 5 15.939 -2.282 -18.274 40 HB3 ALA 5 3HB ALA 5 16.428 -3.354 -19.598 41 H ASP 6 H ASP 6 12.278 -4.753 -18.626 42 HA ASP 6 HA ASP 6 11.124 -2.546 -17.148 43 HB2 ASP 6 1HB ASP 6 8.977 -3.471 -17.780 44 HB3 ASP 6 2HB ASP 6 10.055 -3.392 -19.162 45 H ILE 7 H ILE 7 12.673 -4.937 -15.830 46 HA ILE 7 HA ILE 7 11.178 -4.672 -13.305 47 HB ILE 7 HB ILE 7 12.250 -7.372 -14.183 48 HG12 ILE 7 1HG1 ILE 7 9.354 -6.452 -13.910 49 HG13 ILE 7 2HG1 ILE 7 10.176 -6.880 -15.406 50 HG21 ILE 7 1HG2 ILE 7 10.731 -6.549 -11.665 51 HG22 ILE 7 2HG2 ILE 7 11.267 -8.195 -12.064 52 HG23 ILE 7 3HG2 ILE 7 12.460 -6.962 -11.747 53 HD11 ILE 7 1HD1 ILE 7 10.460 -9.222 -14.541 54 HD12 ILE 7 2HD1 ILE 7 9.398 -8.777 -13.176 55 HD13 ILE 7 3HD1 ILE 7 8.784 -8.710 -14.832 56 H VAL 8 H VAL 8 12.504 -4.189 -11.647 57 HA VAL 8 HA VAL 8 15.452 -4.561 -11.926 58 HB VAL 8 HB VAL 8 15.735 -2.280 -10.959 59 HG11 VAL 8 1HG1 VAL 8 16.145 -2.781 -13.344 60 HG12 VAL 8 2HG1 VAL 8 14.459 -2.361 -13.716 61 HG13 VAL 8 3HG1 VAL 8 15.568 -1.124 -13.100 62 HG21 VAL 8 1HG2 VAL 8 13.514 -1.746 -10.129 63 HG22 VAL 8 2HG2 VAL 8 13.984 -0.578 -11.368 64 HG23 VAL 8 3HG2 VAL 8 12.829 -1.854 -11.768 65 H LYS 9 H LYS 9 16.488 -5.259 -10.194 66 HA LYS 9 HA LYS 9 15.118 -5.846 -7.685 67 HB2 LYS 9 1HB LYS 9 18.008 -6.052 -8.609 68 HB3 LYS 9 2HB LYS 9 17.529 -6.387 -6.937 69 HG2 LYS 9 1HG LYS 9 16.018 -8.141 -7.608 70 HG3 LYS 9 2HG LYS 9 16.257 -7.761 -9.321 71 HD2 LYS 9 1HD LYS 9 18.647 -8.419 -9.133 72 HD3 LYS 9 2HD LYS 9 18.404 -8.795 -7.411 73 HE2 LYS 9 1HE LYS 9 16.691 -10.488 -8.027 74 HE3 LYS 9 2HE LYS 9 16.920 -10.108 -9.736 75 HZ1 LYS 9 1HZ LYS 9 18.203 -12.063 -9.087 76 HZ2 LYS 9 2HZ LYS 9 19.016 -11.226 -7.947 77 HZ3 LYS 9 3HZ LYS 9 19.228 -10.874 -9.531 78 H VAL 10 H VAL 10 15.215 -4.869 -5.774 79 HA VAL 10 HA VAL 10 16.939 -2.491 -5.351 80 HB VAL 10 HB VAL 10 15.162 -1.110 -4.468 81 HG11 VAL 10 1HG1 VAL 10 14.152 -0.379 -6.493 82 HG12 VAL 10 2HG1 VAL 10 15.765 -0.974 -6.905 83 HG13 VAL 10 3HG1 VAL 10 14.337 -1.968 -7.262 84 HG21 VAL 10 1HG2 VAL 10 13.194 -3.230 -5.408 85 HG22 VAL 10 2HG2 VAL 10 13.538 -2.783 -3.722 86 HG23 VAL 10 3HG2 VAL 10 12.782 -1.616 -4.798 87 H ALA 11 H ALA 11 17.225 -1.866 -3.190 88 HA ALA 11 HA ALA 11 16.451 -3.890 -1.109 89 HB1 ALA 11 1HB ALA 11 18.950 -2.145 -1.225 90 HB2 ALA 11 2HB ALA 11 18.529 -3.313 0.048 91 HB3 ALA 11 3HB ALA 11 18.893 -3.879 -1.594 92 H ILE 12 H ILE 12 14.959 -3.078 0.270 93 HA ILE 12 HA ILE 12 14.627 -0.121 0.435 94 HB ILE 12 HB ILE 12 12.609 -2.268 1.086 95 HG12 ILE 12 1HG1 ILE 12 12.771 -0.598 -1.464 96 HG13 ILE 12 2HG1 ILE 12 13.299 -2.279 -1.362 97 HG21 ILE 12 1HG2 ILE 12 12.272 -0.006 2.190 98 HG22 ILE 12 2HG2 ILE 12 12.250 0.729 0.579 99 HG23 ILE 12 3HG2 ILE 12 10.991 -0.418 1.081 100 HD11 ILE 12 1HD1 ILE 12 10.482 -1.329 -0.867 101 HD12 ILE 12 2HD1 ILE 12 11.085 -2.179 -2.291 102 HD13 ILE 12 3HD1 ILE 12 11.060 -3.003 -0.712 103 H GLU 13 H GLU 13 15.107 0.896 2.228 104 HA GLU 13 HA GLU 13 15.594 -0.559 4.761 105 HB2 GLU 13 1HB GLU 13 16.060 2.352 4.021 106 HB3 GLU 13 2HB GLU 13 16.521 1.568 5.541 107 HG2 GLU 13 1HG GLU 13 17.884 -0.080 4.153 108 HG3 GLU 13 2HG GLU 13 17.629 0.982 2.766 109 H TRP 14 H TRP 14 14.704 -0.073 6.738 110 HA TRP 14 HA TRP 14 12.652 1.963 7.065 111 HB2 TRP 14 1HB TRP 14 11.289 0.112 6.311 112 HB3 TRP 14 2HB TRP 14 12.036 -0.981 7.473 113 HD1 TRP 14 HD TRP 14 10.954 -1.141 9.788 114 HE1 TRP 14 1HE TRP 14 9.051 0.039 11.041 115 HE3 TRP 14 3HE TRP 14 10.088 2.676 6.502 116 HZ2 TRP 14 2HZ TRP 14 7.384 2.374 10.675 117 HZ3 TRP 14 3HZ TRP 14 8.377 4.403 7.002 118 HH2 TRP 14 HH TRP 14 7.011 4.258 9.076 119 HA PRO 15 HA PRO 15 14.993 2.244 10.781 120 HB2 PRO 15 1HB PRO 15 12.460 3.116 12.177 121 HB3 PRO 15 2HB PRO 15 14.089 3.866 12.212 122 HG2 PRO 15 1HG PRO 15 12.174 4.925 10.633 123 HG3 PRO 15 2HG PRO 15 13.825 4.692 9.964 124 HD2 PRO 15 1HD PRO 15 11.409 2.892 9.673 125 HD3 PRO 15 2HD PRO 15 12.494 3.507 8.394 126 H GLY 16 H GLY 16 15.687 0.904 12.357 127 HA2 GLY 16 1HA GLY 16 15.754 -0.773 13.932 128 HA3 GLY 16 2HA GLY 16 13.997 -0.699 14.066 129 H ALA 17 H ALA 17 15.019 -1.307 10.822 130 HA ALA 17 HA ALA 17 14.819 -4.266 11.145 131 HB1 ALA 17 1HB ALA 17 13.330 -2.576 9.093 132 HB2 ALA 17 2HB ALA 17 13.295 -4.342 9.240 133 HB3 ALA 17 3HB ALA 17 12.603 -3.338 10.529 134 H TYR 18 H TYR 18 15.774 -5.534 9.542 135 HA TYR 18 HA TYR 18 18.092 -4.456 8.184 136 HB2 TYR 18 1HB TYR 18 16.739 -7.163 7.930 137 HB3 TYR 18 2HB TYR 18 18.322 -6.745 7.288 138 HD1 TYR 18 1HD TYR 18 16.545 -8.013 10.153 139 HD2 TYR 18 2HD TYR 18 20.152 -5.966 8.951 140 HE1 TYR 18 1HE TYR 18 17.622 -8.647 12.304 141 HE2 TYR 18 2HE TYR 18 21.228 -6.606 11.108 142 HH TYR 18 HH TYR 18 19.510 -8.533 13.597 143 HA PRO 19 HA PRO 19 16.241 -3.180 4.420 144 HB2 PRO 19 1HB PRO 19 18.497 -4.476 2.900 145 HB3 PRO 19 2HB PRO 19 17.858 -2.806 2.778 146 HG2 PRO 19 1HG PRO 19 20.148 -3.297 4.145 147 HG3 PRO 19 2HG PRO 19 18.925 -2.173 4.823 148 HD2 PRO 19 1HD PRO 19 19.374 -5.091 5.517 149 HD3 PRO 19 2HD PRO 19 19.152 -3.684 6.600 150 H LYS 20 H LYS 20 14.590 -3.913 3.242 151 HA LYS 20 HA LYS 20 14.149 -6.802 2.760 152 HB2 LYS 20 1HB LYS 20 12.327 -5.487 3.636 153 HB3 LYS 20 2HB LYS 20 12.439 -4.321 2.311 154 HG2 LYS 20 1HG LYS 20 11.680 -5.967 0.702 155 HG3 LYS 20 2HG LYS 20 11.795 -7.269 1.908 156 HD2 LYS 20 1HD LYS 20 9.988 -6.241 3.233 157 HD3 LYS 20 2HD LYS 20 9.944 -4.854 2.144 158 HE2 LYS 20 1HE LYS 20 8.082 -6.318 1.647 159 HE3 LYS 20 2HE LYS 20 9.198 -6.283 0.280 160 HZ1 LYS 20 1HZ LYS 20 8.427 -8.539 0.819 161 HZ2 LYS 20 2HZ LYS 20 9.087 -8.462 2.308 162 HZ3 LYS 20 3HZ LYS 20 10.047 -8.448 0.982 163 H LEU 21 H LEU 21 15.206 -7.652 1.097 164 HA LEU 21 HA LEU 21 15.711 -6.231 -1.425 165 HB2 LEU 21 1HB LEU 21 16.068 -9.118 -0.538 166 HB3 LEU 21 2HB LEU 21 16.458 -8.555 -2.159 167 HG LEU 21 HG LEU 21 17.738 -7.360 0.339 168 HD11 LEU 21 1HD1 LEU 21 19.691 -8.770 -0.174 169 HD12 LEU 21 2HD1 LEU 21 18.784 -9.571 -1.478 170 HD13 LEU 21 3HD1 LEU 21 18.275 -9.758 0.216 171 HD21 LEU 21 1HD2 LEU 21 19.448 -6.581 -1.248 172 HD22 LEU 21 2HD2 LEU 21 17.859 -5.975 -1.736 173 HD23 LEU 21 3HD2 LEU 21 18.579 -7.344 -2.599 174 H MET 22 H MET 22 14.427 -6.184 -3.174 175 HA MET 22 HA MET 22 12.417 -8.252 -3.701 176 HB2 MET 22 1HB MET 22 10.480 -6.890 -3.574 177 HB3 MET 22 2HB MET 22 11.307 -6.672 -2.043 178 HG2 MET 22 1HG MET 22 11.360 -4.502 -2.310 179 HG3 MET 22 2HG MET 22 12.319 -4.649 -3.758 180 HE1 MET 22 1HE MET 22 8.414 -5.827 -3.377 181 HE2 MET 22 2HE MET 22 8.855 -4.584 -2.189 182 HE3 MET 22 3HE MET 22 7.727 -4.194 -3.505 183 H GLU 23 H GLU 23 11.010 -7.431 -5.696 184 HA GLU 23 HA GLU 23 12.778 -6.040 -7.672 185 HB2 GLU 23 1HB GLU 23 11.046 -8.496 -8.008 186 HB3 GLU 23 2HB GLU 23 11.513 -7.475 -9.376 187 HG2 GLU 23 1HG GLU 23 13.864 -7.791 -8.930 188 HG3 GLU 23 2HG GLU 23 13.523 -8.717 -7.467 189 H ILE 24 H ILE 24 12.008 -4.238 -8.384 190 HA ILE 24 HA ILE 24 9.114 -3.563 -8.236 191 HB ILE 24 HB ILE 24 11.600 -1.945 -8.858 192 HG12 ILE 24 1HG1 ILE 24 9.446 -1.837 -6.695 193 HG13 ILE 24 2HG1 ILE 24 11.100 -2.397 -6.492 194 HG21 ILE 24 1HG2 ILE 24 8.719 -0.957 -9.051 195 HG22 ILE 24 2HG2 ILE 24 10.188 0.018 -9.247 196 HG23 ILE 24 3HG2 ILE 24 9.810 -1.203 -10.436 197 HD11 ILE 24 1HD1 ILE 24 10.947 -0.207 -5.552 198 HD12 ILE 24 2HD1 ILE 24 11.902 -0.079 -7.043 199 HD13 ILE 24 3HD1 ILE 24 10.205 0.463 -7.008 200 H ASP 25 H ASP 25 7.979 -4.494 -9.757 201 HA ASP 25 HA ASP 25 8.917 -4.787 -12.543 202 HB2 ASP 25 1HB ASP 25 7.568 -6.551 -11.525 203 HB3 ASP 25 2HB ASP 25 6.288 -5.400 -11.156 204 H GLN 26 H GLN 26 8.869 -3.088 -13.871 205 HA GLN 26 HA GLN 26 7.678 -0.588 -13.080 206 HB2 GLN 26 1HB GLN 26 8.966 -1.386 -15.693 207 HB3 GLN 26 2HB GLN 26 8.572 0.260 -15.213 208 HG2 GLN 26 1HG GLN 26 10.539 -1.508 -13.669 209 HG3 GLN 26 2HG GLN 26 10.984 -0.413 -14.960 210 HE21 GLN 26 1HE2 GLN 26 12.309 0.934 -13.657 211 HE22 GLN 26 2HE2 GLN 26 11.598 2.016 -12.469 212 H LYS 27 H LYS 27 6.267 -3.267 -14.665 213 HA LYS 27 HA LYS 27 4.119 -1.646 -15.941 214 HB2 LYS 27 1HB LYS 27 4.386 -4.668 -15.709 215 HB3 LYS 27 2HB LYS 27 3.253 -3.788 -16.714 216 HG2 LYS 27 1HG LYS 27 6.278 -3.928 -17.053 217 HG3 LYS 27 2HG LYS 27 5.066 -4.682 -18.067 218 HD2 LYS 27 1HD LYS 27 5.603 -1.696 -17.789 219 HD3 LYS 27 2HD LYS 27 6.027 -2.706 -19.158 220 HE2 LYS 27 1HE LYS 27 3.174 -2.115 -18.235 221 HE3 LYS 27 2HE LYS 27 4.017 -1.267 -19.530 222 HZ1 LYS 27 1HZ LYS 27 3.371 -4.168 -19.554 223 HZ2 LYS 27 2HZ LYS 27 4.175 -3.376 -20.738 224 HZ3 LYS 27 3HZ LYS 27 2.616 -3.016 -20.427 225 H LYS 28 H LYS 28 4.703 -3.235 -12.888 226 HA LYS 28 HA LYS 28 1.841 -3.354 -12.140 227 HB2 LYS 28 1HB LYS 28 4.427 -3.943 -10.655 228 HB3 LYS 28 2HB LYS 28 2.879 -3.797 -9.814 229 HG2 LYS 28 1HG LYS 28 1.906 -5.575 -11.223 230 HG3 LYS 28 2HG LYS 28 3.436 -5.726 -12.098 231 HD2 LYS 28 1HD LYS 28 3.326 -7.507 -10.496 232 HD3 LYS 28 2HD LYS 28 4.563 -6.369 -9.943 233 HE2 LYS 28 1HE LYS 28 2.958 -5.390 -8.326 234 HE3 LYS 28 2HE LYS 28 1.690 -6.474 -8.916 235 HZ1 LYS 28 1HZ LYS 28 2.735 -7.335 -6.894 236 HZ2 LYS 28 2HZ LYS 28 4.201 -7.341 -7.579 237 HZ3 LYS 28 3HZ LYS 28 3.038 -8.354 -8.140 238 HA PRO 29 HA PRO 29 1.689 0.868 -10.694 239 HB2 PRO 29 1HB PRO 29 -0.382 0.746 -8.902 240 HB3 PRO 29 2HB PRO 29 -0.626 0.631 -10.662 241 HG2 PRO 29 1HG PRO 29 -0.475 -1.619 -8.669 242 HG3 PRO 29 2HG PRO 29 -1.657 -1.395 -9.992 243 HD2 PRO 29 1HD PRO 29 0.520 -3.028 -10.208 244 HD3 PRO 29 2HD PRO 29 -0.124 -2.120 -11.604 245 H LEU 30 H LEU 30 2.563 2.092 -9.086 246 HA LEU 30 HA LEU 30 4.214 0.837 -7.124 247 HB2 LEU 30 1HB LEU 30 3.195 3.674 -7.472 248 HB3 LEU 30 2HB LEU 30 4.326 3.238 -6.188 249 HG LEU 30 HG LEU 30 4.929 2.655 -9.114 250 HD11 LEU 30 1HD1 LEU 30 4.525 5.025 -8.879 251 HD12 LEU 30 2HD1 LEU 30 6.261 4.723 -9.084 252 HD13 LEU 30 3HD1 LEU 30 5.614 5.112 -7.469 253 HD21 LEU 30 1HD2 LEU 30 6.327 1.425 -7.476 254 HD22 LEU 30 2HD2 LEU 30 6.727 2.956 -6.668 255 HD23 LEU 30 3HD2 LEU 30 7.269 2.649 -8.333 256 H SER 31 H SER 31 0.830 1.913 -6.852 257 HA SER 31 HA SER 31 0.616 1.833 -4.005 258 HB2 SER 31 1HB SER 31 -1.799 1.488 -4.437 259 HB3 SER 31 2HB SER 31 -1.112 2.817 -5.385 260 HG SER 31 HG SER 31 -2.462 1.436 -6.644 261 H ALA 32 H ALA 32 0.156 -0.793 -6.436 262 HA ALA 32 HA ALA 32 -0.365 -2.861 -4.495 263 HB1 ALA 32 1HB ALA 32 0.746 -3.053 -7.335 264 HB2 ALA 32 2HB ALA 32 0.063 -4.387 -6.383 265 HB3 ALA 32 3HB ALA 32 -0.976 -3.041 -6.882 266 H ILE 33 H ILE 33 2.654 -1.710 -6.031 267 HA ILE 33 HA ILE 33 4.395 -3.672 -4.845 268 HB ILE 33 HB ILE 33 4.914 -0.884 -5.926 269 HG12 ILE 33 1HG1 ILE 33 5.442 -3.646 -7.127 270 HG13 ILE 33 2HG1 ILE 33 4.040 -2.664 -7.518 271 HG21 ILE 33 1HG2 ILE 33 6.991 -3.014 -5.280 272 HG22 ILE 33 2HG2 ILE 33 7.288 -1.408 -5.980 273 HG23 ILE 33 3HG2 ILE 33 6.732 -1.537 -4.325 274 HD11 ILE 33 1HD1 ILE 33 5.627 -2.402 -9.272 275 HD12 ILE 33 2HD1 ILE 33 5.557 -0.868 -8.382 276 HD13 ILE 33 3HD1 ILE 33 6.923 -1.993 -8.147 277 H ILE 34 H ILE 34 3.537 -0.343 -3.728 278 HA ILE 34 HA ILE 34 5.103 -0.411 -1.347 279 HB ILE 34 HB ILE 34 2.634 1.157 -2.148 280 HG12 ILE 34 1HG1 ILE 34 5.482 2.176 -1.746 281 HG13 ILE 34 2HG1 ILE 34 4.998 1.454 -3.272 282 HG21 ILE 34 1HG2 ILE 34 4.350 1.551 0.349 283 HG22 ILE 34 2HG2 ILE 34 3.123 2.691 -0.243 284 HG23 ILE 34 3HG2 ILE 34 2.632 1.104 0.311 285 HD11 ILE 34 1HD1 ILE 34 3.206 3.133 -3.554 286 HD12 ILE 34 2HD1 ILE 34 3.689 3.901 -2.038 287 HD13 ILE 34 3HD1 ILE 34 4.813 3.871 -3.409 288 H LYS 35 H LYS 35 1.745 -1.552 -1.932 289 HA LYS 35 HA LYS 35 1.205 -2.378 0.756 290 HB2 LYS 35 1HB LYS 35 -0.442 -2.167 -1.139 291 HB3 LYS 35 2HB LYS 35 0.183 -3.672 -1.803 292 HG2 LYS 35 1HG LYS 35 -0.427 -4.844 0.322 293 HG3 LYS 35 2HG LYS 35 -1.069 -3.318 0.955 294 HD2 LYS 35 1HD LYS 35 -2.694 -3.258 -0.957 295 HD3 LYS 35 2HD LYS 35 -2.059 -4.822 -1.511 296 HE2 LYS 35 1HE LYS 35 -2.671 -5.826 0.694 297 HE3 LYS 35 2HE LYS 35 -3.340 -4.271 1.207 298 HZ1 LYS 35 1HZ LYS 35 -4.953 -4.445 -0.621 299 HZ2 LYS 35 2HZ LYS 35 -5.074 -5.744 0.357 300 HZ3 LYS 35 3HZ LYS 35 -4.333 -5.884 -1.088 301 H GLU 36 H GLU 36 2.927 -4.076 -1.894 302 HA GLU 36 HA GLU 36 3.396 -6.496 -0.379 303 HB2 GLU 36 1HB GLU 36 4.462 -5.284 -2.947 304 HB3 GLU 36 2HB GLU 36 5.105 -6.770 -2.291 305 HG2 GLU 36 1HG GLU 36 2.987 -7.896 -2.472 306 HG3 GLU 36 2HG GLU 36 2.130 -6.389 -2.783 307 H VAL 37 H VAL 37 5.112 -3.388 -0.561 308 HA VAL 37 HA VAL 37 7.472 -4.325 0.878 309 HB VAL 37 HB VAL 37 6.394 -1.485 0.733 310 HG11 VAL 37 1HG1 VAL 37 8.652 -0.822 1.360 311 HG12 VAL 37 2HG1 VAL 37 8.024 -1.913 2.599 312 HG13 VAL 37 3HG1 VAL 37 9.185 -2.517 1.412 313 HG21 VAL 37 1HG2 VAL 37 8.557 -2.819 -0.928 314 HG22 VAL 37 2HG2 VAL 37 6.968 -2.336 -1.522 315 HG23 VAL 37 3HG2 VAL 37 8.090 -1.101 -0.979 316 H CYS 38 H CYS 38 4.591 -2.429 1.924 317 HA CYS 38 HA CYS 38 5.410 -2.200 4.616 318 HB2 CYS 38 1HB CYS 38 3.271 -1.199 4.979 319 HB3 CYS 38 2HB CYS 38 3.767 -0.785 3.352 320 HG CYS 38 HG CYS 38 1.555 -2.909 4.532 321 H ASP 39 H ASP 39 3.412 -4.750 3.123 322 HA ASP 39 HA ASP 39 2.618 -6.129 5.458 323 HB2 ASP 39 1HB ASP 39 1.794 -6.501 3.136 324 HB3 ASP 39 2HB ASP 39 3.343 -7.233 2.712 325 H GLY 40 H GLY 40 5.783 -6.078 3.867 326 HA2 GLY 40 1HA GLY 40 6.953 -8.416 5.075 327 HA3 GLY 40 2HA GLY 40 7.805 -7.021 4.394 328 H TRP 41 H TRP 41 6.368 -5.166 6.294 329 HA TRP 41 HA TRP 41 7.700 -5.847 8.882 330 HB2 TRP 41 1HB TRP 41 7.281 -3.159 7.545 331 HB3 TRP 41 2HB TRP 41 7.957 -3.395 9.151 332 HD1 TRP 41 HD TRP 41 10.118 -5.477 8.850 333 HE1 TRP 41 1HE TRP 41 12.193 -5.177 7.369 334 HE3 TRP 41 3HE TRP 41 8.339 -1.878 5.662 335 HZ2 TRP 41 2HZ TRP 41 13.007 -3.546 5.151 336 HZ3 TRP 41 3HZ TRP 41 9.812 -0.959 3.880 337 HH2 TRP 41 HH TRP 41 12.119 -1.785 3.612 338 H SER 42 H SER 42 4.790 -6.105 7.676 339 HA SER 42 HA SER 42 2.652 -5.940 8.312 340 HB2 SER 42 1HB SER 42 3.718 -7.361 10.130 341 HB3 SER 42 2HB SER 42 3.624 -5.939 11.176 342 HG SER 42 HG SER 42 1.515 -7.429 9.966 343 H LEU 43 H LEU 43 3.763 -3.441 7.643 344 HA LEU 43 HA LEU 43 2.759 -1.413 9.532 345 HB2 LEU 43 1HB LEU 43 4.121 -1.330 6.835 346 HB3 LEU 43 2HB LEU 43 3.566 0.132 7.626 347 HG LEU 43 HG LEU 43 5.538 -1.850 8.870 348 HD11 LEU 43 1HD1 LEU 43 6.403 -0.888 6.760 349 HD12 LEU 43 2HD1 LEU 43 7.309 -0.358 8.178 350 HD13 LEU 43 3HD1 LEU 43 6.143 0.747 7.412 351 HD21 LEU 43 1HD2 LEU 43 4.447 -0.376 10.529 352 HD22 LEU 43 2HD2 LEU 43 4.889 1.050 9.561 353 HD23 LEU 43 3HD2 LEU 43 6.147 0.050 10.320 354 H ALA 44 H ALA 44 0.789 -0.606 9.529 355 HA ALA 44 HA ALA 44 -1.231 -1.535 7.658 356 HB1 ALA 44 1HB ALA 44 -1.384 0.379 10.028 357 HB2 ALA 44 2HB ALA 44 -2.763 -0.382 9.206 358 HB3 ALA 44 3HB ALA 44 -1.608 -1.385 10.098 359 H ASN 45 H ASN 45 -2.852 -0.066 6.763 360 HA ASN 45 HA ASN 45 -3.521 1.521 5.286 361 HB2 ASN 45 1HB ASN 45 -2.106 3.378 7.224 362 HB3 ASN 45 2HB ASN 45 -3.407 3.809 6.123 363 HD21 ASN 45 1HD2 ASN 45 -2.929 3.388 9.284 364 HD22 ASN 45 2HD2 ASN 45 -4.480 2.690 9.728 365 H HIS 46 H HIS 46 -1.794 0.391 3.819 366 HA HIS 46 HA HIS 46 0.631 1.684 3.154 367 HB2 HIS 46 1HB HIS 46 0.699 0.197 1.310 368 HB3 HIS 46 2HB HIS 46 -0.121 -0.663 2.610 369 HD2 HIS 46 2HD HIS 46 -0.728 0.896 -0.815 370 HE1 HIS 46 1HE HIS 46 -4.326 -1.158 0.183 371 HE2 HIS 46 2HE HIS 46 -3.118 0.123 -1.648 372 H GLU 47 H GLU 47 -2.612 2.571 2.257 373 HA GLU 47 HA GLU 47 -2.221 4.187 -0.041 374 HB2 GLU 47 1HB GLU 47 -4.012 4.676 2.379 375 HB3 GLU 47 2HB GLU 47 -4.203 5.439 0.810 376 HG2 GLU 47 1HG GLU 47 -4.534 2.472 1.425 377 HG3 GLU 47 2HG GLU 47 -5.823 3.643 1.198 378 H TYR 48 H TYR 48 -1.320 4.816 3.339 379 HA TYR 48 HA TYR 48 -0.828 7.678 2.958 380 HB2 TYR 48 1HB TYR 48 0.167 5.814 5.136 381 HB3 TYR 48 2HB TYR 48 0.142 7.562 5.184 382 HD1 TYR 48 1HD TYR 48 -3.044 6.983 3.865 383 HD2 TYR 48 2HD TYR 48 -0.726 6.366 7.457 384 HE1 TYR 48 1HE TYR 48 -5.128 6.813 5.176 385 HE2 TYR 48 2HE TYR 48 -2.814 6.285 8.787 386 HH TYR 48 HH TYR 48 -6.060 6.590 7.266 387 H PHE 49 H PHE 49 0.972 4.801 2.229 388 HA PHE 49 HA PHE 49 3.597 6.006 2.799 389 HB2 PHE 49 1HB PHE 49 2.632 3.209 2.229 390 HB3 PHE 49 2HB PHE 49 4.329 3.626 2.082 391 HD1 PHE 49 1HD PHE 49 1.493 3.489 4.513 392 HD2 PHE 49 2HD PHE 49 5.742 4.001 3.972 393 HE1 PHE 49 1HE PHE 49 1.818 3.374 6.964 394 HE2 PHE 49 2HE PHE 49 6.054 3.906 6.431 395 HZ PHE 49 HZ PHE 49 4.101 3.579 7.932 396 H ALA 50 H ALA 50 5.344 5.911 1.458 397 HA ALA 50 HA ALA 50 5.069 5.517 -1.437 398 HB1 ALA 50 1HB ALA 50 6.054 8.125 -0.193 399 HB2 ALA 50 2HB ALA 50 6.148 7.696 -1.916 400 HB3 ALA 50 3HB ALA 50 4.564 7.918 -1.148 401 H LEU 51 H LEU 51 7.068 5.076 -2.430 402 HA LEU 51 HA LEU 51 9.316 4.349 -0.628 403 HB2 LEU 51 1HB LEU 51 8.627 3.861 -3.535 404 HB3 LEU 51 2HB LEU 51 10.288 3.672 -2.974 405 HG LEU 51 HG LEU 51 7.938 2.219 -1.686 406 HD11 LEU 51 1HD1 LEU 51 8.647 0.245 -2.992 407 HD12 LEU 51 2HD1 LEU 51 9.839 1.240 -3.855 408 HD13 LEU 51 3HD1 LEU 51 8.100 1.556 -4.048 409 HD21 LEU 51 1HD2 LEU 51 10.022 2.372 -0.302 410 HD22 LEU 51 2HD2 LEU 51 10.941 1.654 -1.642 411 HD23 LEU 51 3HD2 LEU 51 9.667 0.732 -0.813 412 H GLN 52 H GLN 52 11.363 5.279 -0.858 413 HA GLN 52 HA GLN 52 11.652 7.759 -2.464 414 HB2 GLN 52 1HB GLN 52 10.702 8.201 -0.114 415 HB3 GLN 52 2HB GLN 52 12.249 7.627 0.517 416 HG2 GLN 52 1HG GLN 52 13.362 9.499 -0.808 417 HG3 GLN 52 2HG GLN 52 11.742 10.022 -1.293 418 HE21 GLN 52 1HE2 GLN 52 11.455 11.981 -0.198 419 HE22 GLN 52 2HE2 GLN 52 11.624 12.099 1.549 420 H HIS 53 H HIS 53 13.834 8.321 -2.869 421 HA HIS 53 HA HIS 53 15.739 6.116 -2.974 422 HB2 HIS 53 1HB HIS 53 15.879 9.073 -3.540 423 HB3 HIS 53 2HB HIS 53 17.352 8.107 -3.476 424 HD2 HIS 53 2HD HIS 53 14.299 8.698 -5.713 425 HE1 HIS 53 1HE HIS 53 16.703 5.795 -7.705 426 HE2 HIS 53 2HE HIS 53 14.702 7.356 -7.941 427 H ALA 54 H ALA 54 17.440 5.561 -1.658 428 HA ALA 54 HA ALA 54 17.182 6.352 1.105 429 HB1 ALA 54 1HB ALA 54 17.621 4.054 0.386 430 HB2 ALA 54 2HB ALA 54 19.204 4.547 -0.269 431 HB3 ALA 54 3HB ALA 54 18.888 4.631 1.475 432 H ASP 55 H ASP 55 18.982 7.832 -1.351 433 HA ASP 55 HA ASP 55 21.341 8.672 0.101 434 HB2 ASP 55 1HB ASP 55 19.930 9.842 -2.326 435 HB3 ASP 55 2HB ASP 55 21.518 10.342 -1.751 436 H SER 56 H SER 56 21.761 11.160 0.296 437 HA SER 56 HA SER 56 20.128 12.273 2.343 438 HB2 SER 56 1HB SER 56 22.094 13.703 0.517 439 HB3 SER 56 2HB SER 56 21.553 14.243 2.114 440 HG SER 56 HG SER 56 22.607 12.488 3.047 441 H SER 57 H SER 57 19.448 12.219 -0.988 442 HA SER 57 HA SER 57 18.009 14.733 -1.257 443 HB2 SER 57 1HB SER 57 17.245 13.785 -3.365 444 HB3 SER 57 2HB SER 57 18.991 13.560 -3.187 445 HG SER 57 HG SER 57 17.990 11.654 -3.914 446 H ASN 58 H ASN 58 15.694 14.759 -1.804 447 HA ASN 58 HA ASN 58 14.069 13.131 0.078 448 HB2 ASN 58 1HB ASN 58 12.521 14.951 0.082 449 HB3 ASN 58 2HB ASN 58 14.124 15.607 0.382 450 HD21 ASN 58 1HD2 ASN 58 11.835 17.110 -0.537 451 HD22 ASN 58 2HD2 ASN 58 12.253 17.715 -2.134 452 H PHE 59 H PHE 59 14.910 12.517 -2.919 453 HA PHE 59 HA PHE 59 12.651 12.829 -4.574 454 HB2 PHE 59 1HB PHE 59 14.814 10.721 -4.749 455 HB3 PHE 59 2HB PHE 59 13.756 11.226 -6.057 456 HD1 PHE 59 1HD PHE 59 16.570 10.979 -6.417 457 HD2 PHE 59 2HD PHE 59 14.329 14.374 -4.973 458 HE1 PHE 59 1HE PHE 59 18.384 12.512 -7.180 459 HE2 PHE 59 2HE PHE 59 16.130 15.889 -5.734 460 HZ PHE 59 HZ PHE 59 18.164 14.967 -6.831 461 H TYR 60 H TYR 60 10.689 12.117 -3.816 462 HA TYR 60 HA TYR 60 10.170 9.390 -2.981 463 HB2 TYR 60 1HB TYR 60 8.282 11.527 -4.016 464 HB3 TYR 60 2HB TYR 60 7.800 9.996 -3.303 465 HD1 TYR 60 1HD TYR 60 8.312 9.499 -0.876 466 HD2 TYR 60 2HD TYR 60 8.879 13.408 -2.619 467 HE1 TYR 60 1HE TYR 60 8.296 10.536 1.403 468 HE2 TYR 60 2HE TYR 60 8.891 14.422 -0.352 469 HH TYR 60 HH TYR 60 8.711 14.055 1.902 470 H ILE 61 H ILE 61 9.340 7.698 -4.121 471 HA ILE 61 HA ILE 61 9.777 7.650 -7.040 472 HB ILE 61 HB ILE 61 8.867 5.476 -5.137 473 HG12 ILE 61 1HG1 ILE 61 11.072 6.018 -4.439 474 HG13 ILE 61 2HG1 ILE 61 11.192 4.568 -5.407 475 HG21 ILE 61 1HG2 ILE 61 9.479 3.921 -6.952 476 HG22 ILE 61 2HG2 ILE 61 8.179 5.004 -7.430 477 HG23 ILE 61 3HG2 ILE 61 9.825 5.305 -8.018 478 HD11 ILE 61 1HD1 ILE 61 11.977 6.034 -7.351 479 HD12 ILE 61 2HD1 ILE 61 12.013 7.398 -6.210 480 HD13 ILE 61 3HD1 ILE 61 13.046 5.993 -5.938 481 H THR 62 H THR 62 8.228 7.833 -8.510 482 HA THR 62 HA THR 62 5.346 7.618 -7.835 483 HB THR 62 HB THR 62 4.785 9.722 -8.791 484 HG1 THR 62 1HG THR 62 6.454 11.128 -9.540 485 HG21 THR 62 1HG2 THR 62 5.765 11.385 -7.354 486 HG22 THR 62 2HG2 THR 62 7.186 10.370 -7.036 487 HG23 THR 62 3HG2 THR 62 5.585 9.891 -6.419 488 H GLU 63 H GLU 63 4.004 7.700 -9.899 489 HA GLU 63 HA GLU 63 5.081 5.954 -11.905 490 HB2 GLU 63 1HB GLU 63 2.631 7.746 -11.991 491 HB3 GLU 63 2HB GLU 63 2.962 6.429 -13.108 492 HG2 GLU 63 1HG GLU 63 2.474 6.144 -10.107 493 HG3 GLU 63 2HG GLU 63 1.310 5.816 -11.377 494 H LYS 64 H LYS 64 5.653 9.263 -11.500 495 HA LYS 64 HA LYS 64 6.548 9.635 -14.334 496 HB2 LYS 64 1HB LYS 64 5.990 11.668 -12.135 497 HB3 LYS 64 2HB LYS 64 6.618 12.051 -13.743 498 HG2 LYS 64 1HG LYS 64 4.576 11.082 -14.779 499 HG3 LYS 64 2HG LYS 64 3.906 10.779 -13.164 500 HD2 LYS 64 1HD LYS 64 4.056 13.204 -12.648 501 HD3 LYS 64 2HD LYS 64 4.659 13.523 -14.278 502 HE2 LYS 64 1HE LYS 64 1.959 12.251 -13.620 503 HE3 LYS 64 2HE LYS 64 2.202 13.969 -13.935 504 HZ1 LYS 64 1HZ LYS 64 2.998 13.391 -16.166 505 HZ2 LYS 64 2HZ LYS 64 1.483 12.838 -15.937 506 HZ3 LYS 64 3HZ LYS 64 2.738 11.799 -15.891 507 H ASN 65 H ASN 65 7.846 8.750 -11.360 508 HA ASN 65 HA ASN 65 10.568 9.750 -12.123 509 HB2 ASN 65 1HB ASN 65 9.377 10.997 -10.242 510 HB3 ASN 65 2HB ASN 65 9.468 9.517 -9.294 511 HD21 ASN 65 1HD2 ASN 65 10.923 10.249 -7.685 512 HD22 ASN 65 2HD2 ASN 65 12.555 10.767 -8.098 513 H ARG 66 H ARG 66 8.754 6.935 -11.244 514 HA ARG 66 HA ARG 66 10.774 5.275 -10.142 515 HB2 ARG 66 1HB ARG 66 9.312 3.438 -10.718 516 HB3 ARG 66 2HB ARG 66 8.352 4.794 -10.137 517 HG2 ARG 66 1HG ARG 66 7.881 5.415 -12.568 518 HG3 ARG 66 2HG ARG 66 8.701 3.925 -13.050 519 HD2 ARG 66 1HD ARG 66 6.229 4.128 -11.289 520 HD3 ARG 66 2HD ARG 66 6.259 3.667 -12.998 521 HE ARG 66 HE ARG 66 8.011 1.901 -11.695 522 HH11 ARG 66 1HH1 ARG 66 4.518 2.489 -11.840 523 HH12 ARG 66 2HH1 ARG 66 4.217 0.802 -11.425 524 HH21 ARG 66 1HH2 ARG 66 7.432 -0.097 -10.947 525 HH22 ARG 66 2HH2 ARG 66 5.750 -0.576 -10.992 526 H ASN 67 H ASN 67 10.567 6.369 -13.390 527 HA ASN 67 HA ASN 67 12.012 4.284 -14.736 528 HB2 ASN 67 1HB ASN 67 12.257 5.920 -16.489 529 HB3 ASN 67 2HB ASN 67 10.652 6.147 -15.803 530 HD21 ASN 67 1HD2 ASN 67 13.629 7.678 -16.553 531 HD22 ASN 67 2HD2 ASN 67 13.461 9.101 -15.538 532 H GLU 68 H GLU 68 13.088 6.806 -12.513 533 HA GLU 68 HA GLU 68 15.884 6.786 -13.321 534 HB2 GLU 68 1HB GLU 68 14.591 7.706 -10.728 535 HB3 GLU 68 2HB GLU 68 16.225 8.075 -11.261 536 HG2 GLU 68 1HG GLU 68 13.629 9.037 -12.519 537 HG3 GLU 68 2HG GLU 68 14.805 9.987 -11.623 538 H ILE 69 H ILE 69 14.005 4.508 -11.548 539 HA ILE 69 HA ILE 69 16.107 3.529 -9.784 540 HB ILE 69 HB ILE 69 13.500 2.238 -10.670 541 HG12 ILE 69 1HG1 ILE 69 14.140 3.816 -8.126 542 HG13 ILE 69 2HG1 ILE 69 13.168 4.417 -9.468 543 HG21 ILE 69 1HG2 ILE 69 15.224 0.625 -9.760 544 HG22 ILE 69 2HG2 ILE 69 15.245 1.580 -8.265 545 HG23 ILE 69 3HG2 ILE 69 13.774 0.731 -8.786 546 HD11 ILE 69 1HD1 ILE 69 11.683 3.703 -7.746 547 HD12 ILE 69 2HD1 ILE 69 11.525 2.567 -9.100 548 HD13 ILE 69 3HD1 ILE 69 12.436 2.119 -7.632 549 H LYS 70 H LYS 70 17.615 2.094 -10.203 550 HA LYS 70 HA LYS 70 17.508 0.366 -12.645 551 HB2 LYS 70 1HB LYS 70 19.932 0.466 -12.796 552 HB3 LYS 70 2HB LYS 70 19.243 2.085 -12.903 553 HG2 LYS 70 1HG LYS 70 19.846 2.522 -10.537 554 HG3 LYS 70 2HG LYS 70 20.498 0.878 -10.388 555 HD2 LYS 70 1HD LYS 70 22.176 1.385 -12.143 556 HD3 LYS 70 2HD LYS 70 21.520 3.032 -12.290 557 HE2 LYS 70 1HE LYS 70 22.045 3.444 -9.892 558 HE3 LYS 70 2HE LYS 70 22.701 1.809 -9.753 559 HZ1 LYS 70 1HZ LYS 70 23.785 3.931 -11.531 560 HZ2 LYS 70 2HZ LYS 70 24.393 2.419 -11.403 561 HZ3 LYS 70 3HZ LYS 70 24.462 3.439 -10.132 562 H ASN 71 H ASN 71 18.882 -1.657 -12.393 563 HA ASN 71 HA ASN 71 18.045 -3.139 -10.079 564 HB2 ASN 71 1HB ASN 71 19.509 -4.914 -10.948 565 HB3 ASN 71 2HB ASN 71 18.453 -4.260 -12.192 566 HD21 ASN 71 1HD2 ASN 71 21.623 -5.213 -11.613 567 HD22 ASN 71 2HD2 ASN 71 22.368 -4.312 -12.925 568 H GLY 72 H GLY 72 18.857 -3.261 -8.116 569 HA2 GLY 72 1HA GLY 72 20.469 -3.344 -6.405 570 HA3 GLY 72 2HA GLY 72 21.687 -2.646 -7.470 571 H THR 73 H THR 73 18.712 -0.852 -7.561 572 HA THR 73 HA THR 73 19.882 1.455 -6.255 573 HB THR 73 HB THR 73 16.973 0.914 -6.933 574 HG1 THR 73 1HG THR 73 18.240 0.941 -8.718 575 HG21 THR 73 1HG2 THR 73 17.108 2.771 -5.321 576 HG22 THR 73 2HG2 THR 73 16.733 3.379 -6.933 577 HG23 THR 73 3HG2 THR 73 18.382 3.542 -6.292 578 H ILE 74 H ILE 74 19.910 2.050 -4.147 579 HA ILE 74 HA ILE 74 18.406 0.451 -2.168 580 HB ILE 74 HB ILE 74 20.345 2.698 -1.607 581 HG12 ILE 74 1HG1 ILE 74 20.953 -0.301 -1.652 582 HG13 ILE 74 2HG1 ILE 74 21.461 0.829 -2.907 583 HG21 ILE 74 1HG2 ILE 74 20.388 1.740 0.648 584 HG22 ILE 74 2HG2 ILE 74 18.703 1.984 0.215 585 HG23 ILE 74 3HG2 ILE 74 19.392 0.363 0.129 586 HD11 ILE 74 1HD1 ILE 74 22.387 0.890 -0.025 587 HD12 ILE 74 2HD1 ILE 74 23.321 0.472 -1.470 588 HD13 ILE 74 3HD1 ILE 74 22.747 2.137 -1.249 589 H LEU 75 H LEU 75 16.573 1.078 -1.345 590 HA LEU 75 HA LEU 75 15.555 3.880 -1.629 591 HB2 LEU 75 1HB LEU 75 14.020 1.267 -1.826 592 HB3 LEU 75 2HB LEU 75 13.304 2.873 -1.889 593 HG LEU 75 HG LEU 75 15.183 1.689 -3.981 594 HD11 LEU 75 1HD1 LEU 75 12.198 2.298 -4.059 595 HD12 LEU 75 2HD1 LEU 75 12.920 0.680 -3.911 596 HD13 LEU 75 3HD1 LEU 75 13.181 1.633 -5.381 597 HD21 LEU 75 1HD2 LEU 75 13.684 4.350 -3.906 598 HD22 LEU 75 2HD2 LEU 75 14.473 3.668 -5.345 599 HD23 LEU 75 3HD2 LEU 75 15.448 4.116 -3.946 600 H ARG 76 H ARG 76 13.717 4.245 -0.076 601 HA ARG 76 HA ARG 76 13.689 2.577 2.356 602 HB2 ARG 76 1HB ARG 76 13.866 4.414 3.901 603 HB3 ARG 76 2HB ARG 76 15.300 4.362 2.873 604 HG2 ARG 76 1HG ARG 76 14.238 6.164 1.444 605 HG3 ARG 76 2HG ARG 76 12.960 6.309 2.660 606 HD2 ARG 76 1HD ARG 76 14.596 6.924 4.375 607 HD3 ARG 76 2HD ARG 76 15.928 6.641 3.248 608 HE ARG 76 HE ARG 76 13.829 8.737 2.743 609 HH11 ARG 76 1HH1 ARG 76 17.294 8.057 2.962 610 HH12 ARG 76 2HH1 ARG 76 17.661 9.497 2.040 611 HH21 ARG 76 1HH2 ARG 76 14.422 10.554 1.848 612 HH22 ARG 76 2HH2 ARG 76 16.092 10.893 1.427 613 H LEU 77 H LEU 77 11.818 2.606 3.472 614 HA LEU 77 HA LEU 77 9.406 3.510 1.984 615 HB2 LEU 77 1HB LEU 77 9.451 1.214 2.750 616 HB3 LEU 77 2HB LEU 77 9.795 1.716 4.405 617 HG LEU 77 HG LEU 77 7.518 2.835 4.403 618 HD11 LEU 77 1HD1 LEU 77 5.911 1.947 2.646 619 HD12 LEU 77 2HD1 LEU 77 7.295 1.282 1.767 620 HD13 LEU 77 3HD1 LEU 77 7.131 3.040 1.966 621 HD21 LEU 77 1HD2 LEU 77 7.554 -0.143 3.839 622 HD22 LEU 77 2HD2 LEU 77 6.289 0.753 4.710 623 HD23 LEU 77 3HD2 LEU 77 7.920 0.624 5.398 624 H THR 78 H THR 78 8.068 5.134 2.672 625 HA THR 78 HA THR 78 8.327 6.363 5.333 626 HB THR 78 HB THR 78 10.211 7.349 4.138 627 HG1 THR 78 1HG THR 78 9.276 8.756 5.479 628 HG21 THR 78 1HG2 THR 78 8.212 8.259 2.029 629 HG22 THR 78 2HG2 THR 78 9.574 7.141 1.800 630 HG23 THR 78 3HG2 THR 78 9.892 8.830 2.185 631 H THR 79 H THR 79 6.613 8.038 5.702 632 HA THR 79 HA THR 79 4.172 7.492 4.161 633 HB THR 79 HB THR 79 3.171 9.306 5.548 634 HG1 THR 79 1HG THR 79 5.084 10.349 6.202 635 HG21 THR 79 1HG2 THR 79 2.959 7.922 7.542 636 HG22 THR 79 2HG2 THR 79 4.356 6.939 7.037 637 HG23 THR 79 3HG2 THR 79 2.856 6.941 6.079 638 H SER 80 H SER 80 3.196 8.779 2.715 639 HA SER 80 HA SER 80 4.876 10.063 0.862 640 HB2 SER 80 1HB SER 80 2.840 10.409 -0.418 641 HB3 SER 80 2HB SER 80 2.746 8.835 0.373 642 HG SER 80 HG SER 80 1.292 9.629 1.806 643 HA PRO 81 HA PRO 81 4.572 14.450 1.892 644 HB2 PRO 81 1HB PRO 81 4.585 15.663 -0.557 645 HB3 PRO 81 2HB PRO 81 6.031 14.885 0.154 646 HG2 PRO 81 1HG PRO 81 4.087 13.708 -1.858 647 HG3 PRO 81 2HG PRO 81 5.879 13.726 -1.925 648 HD2 PRO 81 1HD PRO 81 4.508 11.566 -1.019 649 HD3 PRO 81 2HD PRO 81 6.051 12.053 -0.277 650 H ALA 82 H ALA 82 2.253 12.874 -0.266 651 HA ALA 82 HA ALA 82 0.342 14.970 -0.487 652 HB1 ALA 82 1HB ALA 82 0.024 11.943 -0.715 653 HB2 ALA 82 2HB ALA 82 -1.110 13.162 -1.333 654 HB3 ALA 82 3HB ALA 82 0.519 13.045 -2.023 655 H GLN 83 H GLN 83 0.742 12.465 2.037 656 HA GLN 83 HA GLN 83 -1.816 13.062 3.293 657 HB2 GLN 83 1HB GLN 83 -1.194 11.511 4.966 658 HB3 GLN 83 2HB GLN 83 -0.740 10.840 3.411 659 HG2 GLN 83 1HG GLN 83 1.408 10.601 4.061 660 HG3 GLN 83 2HG GLN 83 1.534 12.292 4.513 661 HE21 GLN 83 1HE2 GLN 83 2.201 12.532 6.620 662 HE22 GLN 83 2HE2 GLN 83 1.757 11.422 7.919 663 H ASN 84 H ASN 84 1.070 14.859 3.288 664 HA ASN 84 HA ASN 84 0.840 15.805 6.080 665 HB2 ASN 84 1HB ASN 84 2.828 16.520 3.897 666 HB3 ASN 84 2HB ASN 84 2.922 17.028 5.579 667 HD21 ASN 84 1HD2 ASN 84 4.950 15.561 4.144 668 HD22 ASN 84 2HD2 ASN 84 5.092 14.003 4.948 669 H ALA 85 H ALA 85 0.307 17.811 6.717 670 HA ALA 85 HA ALA 85 -0.698 19.809 6.831 671 HB1 ALA 85 1HB ALA 85 0.674 20.353 4.178 672 HB2 ALA 85 2HB ALA 85 0.177 21.545 5.393 673 HB3 ALA 85 3HB ALA 85 1.463 20.391 5.770 674 H GLN 86 H GLN 86 -1.965 21.619 5.530 675 HA GLN 86 HA GLN 86 -4.477 20.457 4.675 676 HB2 GLN 86 1HB GLN 86 -3.516 23.356 4.588 677 HB3 GLN 86 2HB GLN 86 -5.157 22.787 4.320 678 HG2 GLN 86 1HG GLN 86 -5.248 23.512 6.511 679 HG3 GLN 86 2HG GLN 86 -5.071 21.774 6.690 680 HE21 GLN 86 1HE2 GLN 86 -4.500 22.841 8.960 681 HE22 GLN 86 2HE2 GLN 86 -2.781 23.138 9.199 682 H GLN 87 H GLN 87 -5.392 20.355 2.651 683 HA GLN 87 HA GLN 87 -3.587 20.404 0.339 684 HB2 GLN 87 1HB GLN 87 -6.532 19.672 0.596 685 HB3 GLN 87 2HB GLN 87 -5.545 19.471 -0.857 686 HG2 GLN 87 1HG GLN 87 -4.006 17.961 0.428 687 HG3 GLN 87 2HG GLN 87 -5.086 18.077 1.823 688 HE21 GLN 87 1HE2 GLN 87 -5.113 17.148 -1.692 689 HE22 GLN 87 2HE2 GLN 87 -6.331 15.899 -1.466 690 H LEU 88 H LEU 88 -5.661 22.730 1.721 691 HA LEU 88 HA LEU 88 -6.613 24.059 -0.645 692 HB2 LEU 88 1HB LEU 88 -7.697 24.190 1.544 693 HB3 LEU 88 2HB LEU 88 -6.294 25.035 2.201 694 HG LEU 88 HG LEU 88 -6.716 26.954 0.681 695 HD11 LEU 88 1HD1 LEU 88 -8.891 27.088 -0.531 696 HD12 LEU 88 2HD1 LEU 88 -9.195 25.375 -0.162 697 HD13 LEU 88 3HD1 LEU 88 -7.848 25.848 -1.221 698 HD21 LEU 88 1HD2 LEU 88 -8.771 27.724 1.785 699 HD22 LEU 88 2HD2 LEU 88 -7.720 26.865 2.929 700 HD23 LEU 88 3HD2 LEU 88 -9.153 26.049 2.258 701 H HIS 89 H HIS 89 -5.804 25.745 -1.817 702 HA HIS 89 HA HIS 89 -3.467 27.301 -0.977 703 HB2 HIS 89 1HB HIS 89 -2.116 26.777 -2.919 704 HB3 HIS 89 2HB HIS 89 -2.435 25.307 -2.018 705 HD2 HIS 89 2HD HIS 89 -3.732 23.355 -3.256 706 HE1 HIS 89 1HE HIS 89 -4.388 25.301 -6.996 707 HE2 HIS 89 2HE HIS 89 -4.547 23.086 -5.750 708 H GLU 90 H GLU 90 -2.934 28.994 -2.649 709 HA GLU 90 HA GLU 90 -5.013 29.750 -4.551 710 HB2 GLU 90 1HB GLU 90 -5.501 31.919 -3.597 711 HB3 GLU 90 2HB GLU 90 -5.955 30.646 -2.467 712 HG2 GLU 90 1HG GLU 90 -3.910 31.079 -1.134 713 HG3 GLU 90 2HG GLU 90 -3.392 32.298 -2.302 714 H ARG 91 H ARG 91 -4.398 31.749 -5.769 715 HA ARG 91 HA ARG 91 -1.496 32.348 -5.849 716 HB2 ARG 91 1HB ARG 91 -2.031 30.393 -7.345 717 HB3 ARG 91 2HB ARG 91 -3.118 31.437 -8.272 718 HG2 ARG 91 1HG ARG 91 -1.230 32.886 -8.900 719 HG3 ARG 91 2HG ARG 91 -0.159 31.969 -7.821 720 HD2 ARG 91 1HD ARG 91 -0.520 29.937 -9.233 721 HD3 ARG 91 2HD ARG 91 -1.601 30.864 -10.271 722 HE ARG 91 HE ARG 91 0.200 31.947 -11.264 723 HH11 ARG 91 1HH1 ARG 91 1.473 30.100 -8.565 724 HH12 ARG 91 2HH1 ARG 91 3.123 30.339 -9.070 725 HH21 ARG 91 1HH2 ARG 91 2.321 32.204 -11.844 726 HH22 ARG 91 2HH2 ARG 91 3.583 31.497 -10.878 727 H ILE 92 H ILE 92 -0.957 34.317 -6.697 728 HA ILE 92 HA ILE 92 -2.924 36.421 -6.568 729 HB ILE 92 HB ILE 92 -1.102 37.928 -7.091 730 HG12 ILE 92 1HG1 ILE 92 0.673 35.485 -7.518 731 HG13 ILE 92 2HG1 ILE 92 0.083 36.550 -8.794 732 HG21 ILE 92 1HG2 ILE 92 0.197 37.568 -5.097 733 HG22 ILE 92 2HG2 ILE 92 -1.447 37.010 -4.786 734 HG23 ILE 92 3HG2 ILE 92 -0.155 35.829 -5.097 735 HD11 ILE 92 1HD1 ILE 92 1.275 38.470 -7.727 736 HD12 ILE 92 2HD1 ILE 92 1.982 37.330 -6.553 737 HD13 ILE 92 3HD1 ILE 92 2.345 37.165 -8.278 738 H GLN 93 H GLN 93 -3.367 38.019 -8.165 739 HA GLN 93 HA GLN 93 -3.106 37.280 -11.021 740 HB2 GLN 93 1HB GLN 93 -5.490 37.510 -11.432 741 HB3 GLN 93 2HB GLN 93 -5.165 36.201 -10.302 742 HG2 GLN 93 1HG GLN 93 -5.864 37.619 -8.400 743 HG3 GLN 93 2HG GLN 93 -6.119 38.987 -9.485 744 HE21 GLN 93 1HE2 GLN 93 -8.291 38.648 -8.153 745 HE22 GLN 93 2HE2 GLN 93 -9.491 37.687 -9.009 746 H SER 94 H SER 94 -1.873 39.361 -9.384 747 HA SER 94 HA SER 94 -3.226 41.869 -9.622 748 HB2 SER 94 1HB SER 94 -1.081 42.791 -8.817 749 HB3 SER 94 2HB SER 94 -1.616 41.396 -7.866 750 HG SER 94 HG SER 94 0.633 41.321 -8.441 751 H SER 95 H SER 95 -1.308 40.193 -11.993 752 HA SER 95 HA SER 95 -1.618 42.437 -13.866 753 HB2 SER 95 1HB SER 95 0.537 42.936 -12.771 754 HB3 SER 95 2HB SER 95 1.136 41.326 -13.211 755 HG SER 95 HG SER 95 1.776 42.983 -14.696 756 H SER 96 H SER 96 -1.672 41.844 -15.982 757 HA SER 96 HA SER 96 -0.741 39.326 -17.030 758 HB2 SER 96 1HB SER 96 -2.871 38.576 -15.955 759 HB3 SER 96 2HB SER 96 -3.758 39.749 -16.944 760 HG SER 96 HG SER 96 -3.723 37.627 -17.858 761 H MET 97 H MET 97 -0.990 39.245 -19.387 762 HA MET 97 HA MET 97 -0.852 41.906 -20.623 763 HB2 MET 97 1HB MET 97 -0.606 39.127 -21.840 764 HB3 MET 97 2HB MET 97 -0.347 40.655 -22.691 765 HG2 MET 97 1HG MET 97 1.476 41.217 -21.070 766 HG3 MET 97 2HG MET 97 1.240 39.651 -20.297 767 HE1 MET 97 1HE MET 97 1.428 40.742 -24.175 768 HE2 MET 97 2HE MET 97 2.694 41.634 -23.300 769 HE3 MET 97 3HE MET 97 3.137 40.368 -24.466 770 H ASP 98 H ASP 98 -2.395 42.928 -21.785 771 HA ASP 98 HA ASP 98 -5.118 41.929 -21.862 772 HB2 ASP 98 1HB ASP 98 -3.816 44.324 -23.212 773 HB3 ASP 98 2HB ASP 98 -5.551 44.010 -23.161 774 H ALA 99 H ALA 99 -2.480 41.878 -24.183 775 HA ALA 99 HA ALA 99 -3.936 40.045 -25.924 776 HB1 ALA 99 1HB ALA 99 -4.630 42.233 -26.850 777 HB2 ALA 99 2HB ALA 99 -2.927 42.727 -26.987 778 HB3 ALA 99 3HB ALA 99 -3.552 41.388 -27.975 779 H LYS 100 H LYS 100 -2.556 38.872 -27.309 780 HA LYS 100 HA LYS 100 0.405 39.194 -27.042 781 HB2 LYS 100 1HB LYS 100 -1.245 36.755 -26.269 782 HB3 LYS 100 2HB LYS 100 0.450 36.636 -26.738 783 HG2 LYS 100 1HG LYS 100 1.047 38.292 -24.954 784 HG3 LYS 100 2HG LYS 100 -0.639 38.320 -24.445 785 HD2 LYS 100 1HD LYS 100 0.631 36.895 -22.964 786 HD3 LYS 100 2HD LYS 100 -0.560 35.953 -23.847 787 HE2 LYS 100 1HE LYS 100 1.571 34.761 -23.609 788 HE3 LYS 100 2HE LYS 100 1.155 35.015 -25.304 789 HZ1 LYS 100 1HZ LYS 100 2.790 36.702 -25.486 790 HZ2 LYS 100 2HZ LYS 100 3.522 35.492 -24.706 791 HZ3 LYS 100 3HZ LYS 100 3.033 36.801 -23.849 792 H LEU 101 H LEU 101 0.985 39.575 -29.044 793 HA LEU 101 HA LEU 101 -0.410 38.416 -31.350 794 HB2 LEU 101 1HB LEU 101 2.026 40.235 -31.202 795 HB3 LEU 101 2HB LEU 101 1.118 39.846 -32.660 796 HG LEU 101 HG LEU 101 0.045 41.410 -30.267 797 HD11 LEU 101 1HD1 LEU 101 1.709 42.638 -31.612 798 HD12 LEU 101 2HD1 LEU 101 0.086 43.321 -31.805 799 HD13 LEU 101 3HD1 LEU 101 0.777 42.297 -33.087 800 HD21 LEU 101 1HD2 LEU 101 -1.797 40.202 -31.355 801 HD22 LEU 101 2HD2 LEU 101 -1.255 40.769 -32.952 802 HD23 LEU 101 3HD2 LEU 101 -1.883 41.919 -31.751 803 H GLU 102 H GLU 102 2.599 37.864 -29.707 804 HA GLU 102 HA GLU 102 4.377 36.475 -30.026 805 HB2 GLU 102 1HB GLU 102 2.230 34.516 -30.917 806 HB3 GLU 102 2HB GLU 102 3.781 34.139 -30.164 807 HG2 GLU 102 1HG GLU 102 1.378 35.481 -28.880 808 HG3 GLU 102 2HG GLU 102 2.059 33.905 -28.508 809 H ALA 103 H ALA 103 4.146 38.141 -32.243 810 HA ALA 103 HA ALA 103 4.292 36.820 -34.740 811 HB1 ALA 103 1HB ALA 103 5.391 39.516 -33.848 812 HB2 ALA 103 2HB ALA 103 5.128 39.009 -35.533 813 HB3 ALA 103 3HB ALA 103 3.743 39.192 -34.434 814 H LEU 104 H LEU 104 5.897 36.061 -35.995 815 HA LEU 104 HA LEU 104 8.559 35.495 -34.850 816 HB2 LEU 104 1HB LEU 104 7.336 34.775 -37.542 817 HB3 LEU 104 2HB LEU 104 8.864 34.169 -36.911 818 HG LEU 104 HG LEU 104 6.109 33.602 -35.721 819 HD11 LEU 104 1HD1 LEU 104 6.493 31.322 -36.538 820 HD12 LEU 104 2HD1 LEU 104 8.049 31.815 -37.245 821 HD13 LEU 104 3HD1 LEU 104 6.526 32.480 -37.878 822 HD21 LEU 104 1HD2 LEU 104 7.310 31.917 -34.340 823 HD22 LEU 104 2HD2 LEU 104 7.803 33.565 -33.944 824 HD23 LEU 104 3HD2 LEU 104 8.863 32.540 -34.942 825 H LYS 105 H LYS 105 10.506 35.853 -36.145 826 HA LYS 105 HA LYS 105 10.498 38.026 -38.123 827 HB2 LYS 105 1HB LYS 105 12.131 39.407 -36.981 828 HB3 LYS 105 2HB LYS 105 10.665 39.262 -36.014 829 HG2 LYS 105 1HG LYS 105 11.797 37.549 -34.579 830 HG3 LYS 105 2HG LYS 105 13.277 37.748 -35.540 831 HD2 LYS 105 1HD LYS 105 13.380 40.139 -34.899 832 HD3 LYS 105 2HD LYS 105 11.897 39.942 -33.935 833 HE2 LYS 105 1HE LYS 105 13.039 38.215 -32.551 834 HE3 LYS 105 2HE LYS 105 14.515 38.431 -33.499 835 HZ1 LYS 105 1HZ LYS 105 13.225 40.540 -31.846 836 HZ2 LYS 105 2HZ LYS 105 14.589 40.747 -32.723 837 HZ3 LYS 105 3HZ LYS 105 14.581 39.730 -31.447 838 H ASP 106 H ASP 106 12.322 38.168 -39.391 839 HA ASP 106 HA ASP 106 14.088 35.768 -39.461 840 HB2 ASP 106 1HB ASP 106 13.640 37.952 -41.521 841 HB3 ASP 106 2HB ASP 106 14.699 36.556 -41.710 842 H LEU 107 H LEU 107 16.342 35.964 -39.621 843 HA LEU 107 HA LEU 107 17.638 38.577 -39.091 844 HB2 LEU 107 1HB LEU 107 18.070 36.048 -37.457 845 HB3 LEU 107 2HB LEU 107 19.128 37.450 -37.399 846 HG LEU 107 HG LEU 107 16.182 37.508 -36.596 847 HD11 LEU 107 1HD1 LEU 107 18.691 37.375 -34.878 848 HD12 LEU 107 2HD1 LEU 107 17.504 36.071 -35.101 849 HD13 LEU 107 3HD1 LEU 107 17.024 37.569 -34.289 850 HD21 LEU 107 1HD2 LEU 107 17.047 39.737 -37.255 851 HD22 LEU 107 2HD2 LEU 107 18.441 39.524 -36.174 852 HD23 LEU 107 3HD2 LEU 107 16.796 39.650 -35.511 853 H ALA 108 H ALA 108 19.669 38.786 -39.953 854 HA ALA 108 HA ALA 108 20.397 36.972 -42.108 855 HB1 ALA 108 1HB ALA 108 20.568 39.420 -42.326 856 HB2 ALA 108 2HB ALA 108 21.774 39.462 -41.017 857 HB3 ALA 108 3HB ALA 108 22.147 38.645 -42.549 858 H SER 109 H SER 109 22.380 35.883 -42.384 859 HA SER 109 HA SER 109 24.338 35.649 -40.232 860 HB2 SER 109 1HB SER 109 24.168 33.201 -40.014 861 HB3 SER 109 2HB SER 109 22.715 34.024 -39.442 862 HG SER 109 HG SER 109 23.070 32.599 -41.890 863 H LEU 110 H LEU 110 26.291 34.713 -40.878 864 HA LEU 110 HA LEU 110 26.702 33.616 -43.528 865 HB2 LEU 110 1HB LEU 110 28.047 35.264 -44.480 866 HB3 LEU 110 2HB LEU 110 26.613 36.112 -43.950 867 HG LEU 110 HG LEU 110 29.328 36.139 -42.537 868 HD11 LEU 110 1HD1 LEU 110 29.331 37.279 -44.720 869 HD12 LEU 110 2HD1 LEU 110 29.492 38.431 -43.387 870 HD13 LEU 110 3HD1 LEU 110 27.931 38.255 -44.221 871 HD21 LEU 110 1HD2 LEU 110 26.793 37.743 -41.980 872 HD22 LEU 110 2HD2 LEU 110 28.395 38.100 -41.295 873 HD23 LEU 110 3HD2 LEU 110 27.589 36.590 -40.882 874 H SER 111 H SER 111 28.954 32.970 -43.904 875 HA SER 111 HA SER 111 30.874 33.049 -41.715 876 HB2 SER 111 1HB SER 111 29.407 31.132 -41.068 877 HB3 SER 111 2HB SER 111 29.807 30.344 -42.607 878 HG SER 111 HG SER 111 31.147 29.651 -40.857 879 H ARG 112 H ARG 112 32.967 32.223 -42.345 880 HA ARG 112 HA ARG 112 33.603 32.824 -45.143 881 HB2 ARG 112 1HB ARG 112 34.922 33.304 -42.803 882 HB3 ARG 112 2HB ARG 112 35.696 31.788 -43.262 883 HG2 ARG 112 1HG ARG 112 36.137 32.925 -45.569 884 HG3 ARG 112 2HG ARG 112 35.558 34.412 -44.816 885 HD2 ARG 112 1HD ARG 112 37.942 34.444 -44.677 886 HD3 ARG 112 2HD ARG 112 37.338 34.119 -43.043 887 HE ARG 112 HE ARG 112 38.015 31.773 -44.743 888 HH11 ARG 112 1HH1 ARG 112 39.360 33.928 -42.323 889 HH12 ARG 112 2HH1 ARG 112 40.504 32.731 -41.779 890 HH21 ARG 112 1HH2 ARG 112 39.323 30.266 -43.897 891 HH22 ARG 112 2HH2 ARG 112 40.524 30.705 -42.696 892 H ASP 113 H ASP 113 35.100 31.485 -46.367 893 HA ASP 113 HA ASP 113 35.542 29.678 -47.645 894 HB2 ASP 113 1HB ASP 113 35.840 28.244 -45.000 895 HB3 ASP 113 2HB ASP 113 36.580 27.808 -46.536 Start of MODEL 16 1 H1 GLY 0 1H GLY 0 7.950 -18.827 -31.250 2 H2 GLY 0 2H GLY 0 7.099 -18.119 -32.459 3 H3 GLY 0 3H GLY 0 6.571 -18.015 -30.911 4 HA2 GLY 0 1HA GLY 0 9.043 -16.802 -31.968 5 HA3 GLY 0 2HA GLY 0 7.550 -15.925 -31.584 6 H MET 1 H MET 1 9.047 -14.659 -30.220 7 HA MET 1 HA MET 1 9.097 -15.664 -27.445 8 HB2 MET 1 1HB MET 1 11.272 -16.356 -28.349 9 HB3 MET 1 2HB MET 1 11.569 -14.720 -28.939 10 HG2 MET 1 1HG MET 1 12.842 -14.999 -26.959 11 HG3 MET 1 2HG MET 1 11.532 -13.897 -26.570 12 HE1 MET 1 1HE MET 1 11.944 -15.564 -23.130 13 HE2 MET 1 2HE MET 1 13.182 -14.985 -24.266 14 HE3 MET 1 3HE MET 1 11.684 -14.055 -24.031 15 HA PRO 2 HA PRO 2 7.845 -11.321 -27.213 16 HB2 PRO 2 1HB PRO 2 7.359 -11.084 -24.530 17 HB3 PRO 2 2HB PRO 2 6.283 -11.979 -25.645 18 HG2 PRO 2 1HG PRO 2 8.492 -13.109 -23.888 19 HG3 PRO 2 2HG PRO 2 6.792 -13.670 -24.022 20 HD2 PRO 2 1HD PRO 2 8.789 -14.854 -25.415 21 HD3 PRO 2 2HD PRO 2 7.179 -14.622 -26.153 22 HA PRO 3 HA PRO 3 11.520 -9.058 -26.019 23 HB2 PRO 3 1HB PRO 3 9.677 -6.999 -24.811 24 HB3 PRO 3 2HB PRO 3 11.033 -6.762 -25.955 25 HG2 PRO 3 1HG PRO 3 8.480 -6.693 -26.846 26 HG3 PRO 3 2HG PRO 3 9.728 -7.578 -27.785 27 HD2 PRO 3 1HD PRO 3 7.697 -8.709 -25.833 28 HD3 PRO 3 2HD PRO 3 8.129 -9.271 -27.478 29 HA PRO 4 HA PRO 4 12.254 -9.887 -21.655 30 HB2 PRO 4 1HB PRO 4 14.366 -8.244 -21.065 31 HB3 PRO 4 2HB PRO 4 14.512 -9.700 -22.097 32 HG2 PRO 4 1HG PRO 4 14.147 -6.819 -22.988 33 HG3 PRO 4 2HG PRO 4 15.354 -8.012 -23.570 34 HD2 PRO 4 1HD PRO 4 13.042 -7.556 -24.917 35 HD3 PRO 4 2HD PRO 4 13.718 -9.208 -24.792 36 H ALA 5 H ALA 5 11.772 -9.080 -19.602 37 HA ALA 5 HA ALA 5 9.958 -6.826 -19.510 38 HB1 ALA 5 1HB ALA 5 11.043 -8.599 -17.282 39 HB2 ALA 5 2HB ALA 5 9.629 -7.523 -17.188 40 HB3 ALA 5 3HB ALA 5 9.594 -8.932 -18.261 41 H ASP 6 H ASP 6 10.069 -5.001 -18.150 42 HA ASP 6 HA ASP 6 12.723 -3.758 -17.913 43 HB2 ASP 6 1HB ASP 6 9.934 -2.669 -17.420 44 HB3 ASP 6 2HB ASP 6 11.416 -1.710 -17.417 45 H ILE 7 H ILE 7 11.729 -5.928 -15.967 46 HA ILE 7 HA ILE 7 11.266 -4.724 -13.413 47 HB ILE 7 HB ILE 7 12.182 -7.511 -14.166 48 HG12 ILE 7 1HG1 ILE 7 9.408 -6.654 -13.259 49 HG13 ILE 7 2HG1 ILE 7 9.851 -6.629 -14.957 50 HG21 ILE 7 1HG2 ILE 7 11.373 -8.204 -11.896 51 HG22 ILE 7 2HG2 ILE 7 12.767 -7.148 -11.816 52 HG23 ILE 7 3HG2 ILE 7 11.144 -6.495 -11.483 53 HD11 ILE 7 1HD1 ILE 7 8.680 -8.658 -14.521 54 HD12 ILE 7 2HD1 ILE 7 10.378 -9.069 -14.841 55 HD13 ILE 7 3HD1 ILE 7 9.747 -9.083 -13.175 56 H VAL 8 H VAL 8 12.552 -4.229 -11.760 57 HA VAL 8 HA VAL 8 15.505 -4.656 -11.899 58 HB VAL 8 HB VAL 8 15.772 -2.372 -10.916 59 HG11 VAL 8 1HG1 VAL 8 14.632 -2.426 -13.732 60 HG12 VAL 8 2HG1 VAL 8 15.739 -1.214 -13.058 61 HG13 VAL 8 3HG1 VAL 8 16.288 -2.884 -13.283 62 HG21 VAL 8 1HG2 VAL 8 14.070 -0.647 -11.395 63 HG22 VAL 8 2HG2 VAL 8 12.921 -1.899 -11.883 64 HG23 VAL 8 3HG2 VAL 8 13.505 -1.822 -10.203 65 H LYS 9 H LYS 9 16.469 -5.285 -10.057 66 HA LYS 9 HA LYS 9 14.859 -5.785 -7.649 67 HB2 LYS 9 1HB LYS 9 16.694 -7.298 -8.621 68 HB3 LYS 9 2HB LYS 9 17.860 -6.136 -7.970 69 HG2 LYS 9 1HG LYS 9 16.894 -6.511 -5.681 70 HG3 LYS 9 2HG LYS 9 15.734 -7.649 -6.384 71 HD2 LYS 9 1HD LYS 9 17.736 -9.023 -7.200 72 HD3 LYS 9 2HD LYS 9 18.765 -7.910 -6.292 73 HE2 LYS 9 1HE LYS 9 18.483 -9.680 -4.796 74 HE3 LYS 9 2HE LYS 9 17.310 -8.485 -4.234 75 HZ1 LYS 9 1HZ LYS 9 15.578 -9.768 -5.489 76 HZ2 LYS 9 2HZ LYS 9 16.304 -10.686 -4.345 77 HZ3 LYS 9 3HZ LYS 9 16.705 -10.865 -5.914 78 H VAL 10 H VAL 10 15.101 -4.802 -5.655 79 HA VAL 10 HA VAL 10 16.848 -2.413 -5.367 80 HB VAL 10 HB VAL 10 15.002 -1.089 -4.451 81 HG11 VAL 10 1HG1 VAL 10 14.004 -0.412 -6.523 82 HG12 VAL 10 2HG1 VAL 10 15.668 -0.903 -6.862 83 HG13 VAL 10 3HG1 VAL 10 14.321 -1.983 -7.278 84 HG21 VAL 10 1HG2 VAL 10 13.121 -3.253 -5.487 85 HG22 VAL 10 2HG2 VAL 10 13.434 -2.892 -3.777 86 HG23 VAL 10 3HG2 VAL 10 12.657 -1.686 -4.805 87 H ALA 11 H ALA 11 17.173 -1.723 -3.209 88 HA ALA 11 HA ALA 11 16.488 -3.721 -1.073 89 HB1 ALA 11 1HB ALA 11 19.020 -2.047 -1.340 90 HB2 ALA 11 2HB ALA 11 18.630 -3.181 -0.028 91 HB3 ALA 11 3HB ALA 11 18.895 -3.783 -1.678 92 H ILE 12 H ILE 12 14.959 -2.843 0.209 93 HA ILE 12 HA ILE 12 14.708 0.107 0.334 94 HB ILE 12 HB ILE 12 12.728 -2.027 1.124 95 HG12 ILE 12 1HG1 ILE 12 12.563 -0.332 -1.396 96 HG13 ILE 12 2HG1 ILE 12 13.404 -1.883 -1.420 97 HG21 ILE 12 1HG2 ILE 12 12.346 0.194 2.232 98 HG22 ILE 12 2HG2 ILE 12 12.354 0.972 0.640 99 HG23 ILE 12 3HG2 ILE 12 11.077 -0.174 1.085 100 HD11 ILE 12 1HD1 ILE 12 11.114 -2.132 -2.157 101 HD12 ILE 12 2HD1 ILE 12 11.418 -3.058 -0.665 102 HD13 ILE 12 3HD1 ILE 12 10.526 -1.516 -0.603 103 H GLU 13 H GLU 13 15.222 1.221 2.027 104 HA GLU 13 HA GLU 13 15.940 0.041 4.616 105 HB2 GLU 13 1HB GLU 13 15.876 2.892 3.558 106 HB3 GLU 13 2HB GLU 13 16.383 2.491 5.186 107 HG2 GLU 13 1HG GLU 13 17.725 1.379 2.677 108 HG3 GLU 13 2HG GLU 13 18.227 2.849 3.503 109 H TRP 14 H TRP 14 14.930 0.246 6.542 110 HA TRP 14 HA TRP 14 12.779 2.122 7.006 111 HB2 TRP 14 1HB TRP 14 11.499 0.302 6.025 112 HB3 TRP 14 2HB TRP 14 12.222 -0.856 7.141 113 HD1 TRP 14 HD TRP 14 10.938 -1.297 9.286 114 HE1 TRP 14 1HE TRP 14 8.957 -0.252 10.540 115 HE3 TRP 14 3HE TRP 14 10.355 2.920 6.464 116 HZ2 TRP 14 2HZ TRP 14 7.352 2.149 10.364 117 HZ3 TRP 14 3HZ TRP 14 8.637 4.608 7.063 118 HH2 TRP 14 HH TRP 14 7.132 4.236 9.006 119 HA PRO 15 HA PRO 15 15.010 2.037 10.800 120 HB2 PRO 15 1HB PRO 15 12.480 2.860 12.213 121 HB3 PRO 15 2HB PRO 15 14.112 3.597 12.289 122 HG2 PRO 15 1HG PRO 15 12.190 4.755 10.785 123 HG3 PRO 15 2HG PRO 15 13.843 4.570 10.103 124 HD2 PRO 15 1HD PRO 15 11.439 2.765 9.713 125 HD3 PRO 15 2HD PRO 15 12.490 3.489 8.465 126 H GLY 16 H GLY 16 15.539 0.740 12.531 127 HA2 GLY 16 1HA GLY 16 15.472 -0.971 14.062 128 HA3 GLY 16 2HA GLY 16 13.711 -0.914 14.001 129 H ALA 17 H ALA 17 15.159 -1.513 10.918 130 HA ALA 17 HA ALA 17 15.007 -4.469 11.168 131 HB1 ALA 17 1HB ALA 17 13.431 -2.821 9.141 132 HB2 ALA 17 2HB ALA 17 13.491 -4.591 9.248 133 HB3 ALA 17 3HB ALA 17 12.738 -3.655 10.552 134 H TYR 18 H TYR 18 15.931 -5.631 9.420 135 HA TYR 18 HA TYR 18 18.237 -4.432 8.135 136 HB2 TYR 18 1HB TYR 18 16.879 -7.116 7.707 137 HB3 TYR 18 2HB TYR 18 18.446 -6.656 7.055 138 HD1 TYR 18 1HD TYR 18 20.317 -5.993 8.729 139 HD2 TYR 18 2HD TYR 18 16.741 -8.133 9.859 140 HE1 TYR 18 1HE TYR 18 21.443 -6.790 10.807 141 HE2 TYR 18 2HE TYR 18 17.868 -8.924 11.930 142 HH TYR 18 HH TYR 18 19.785 -8.902 13.184 143 HA PRO 19 HA PRO 19 16.366 -2.926 4.436 144 HB2 PRO 19 1HB PRO 19 18.571 -4.225 2.844 145 HB3 PRO 19 2HB PRO 19 17.975 -2.537 2.787 146 HG2 PRO 19 1HG PRO 19 20.269 -3.134 4.105 147 HG3 PRO 19 2HG PRO 19 19.084 -2.002 4.834 148 HD2 PRO 19 1HD PRO 19 19.471 -4.947 5.433 149 HD3 PRO 19 2HD PRO 19 19.290 -3.570 6.562 150 H LYS 20 H LYS 20 14.673 -3.606 3.239 151 HA LYS 20 HA LYS 20 14.195 -6.492 2.792 152 HB2 LYS 20 1HB LYS 20 12.359 -5.229 3.618 153 HB3 LYS 20 2HB LYS 20 12.507 -4.009 2.342 154 HG2 LYS 20 1HG LYS 20 11.779 -5.575 0.655 155 HG3 LYS 20 2HG LYS 20 11.860 -6.933 1.800 156 HD2 LYS 20 1HD LYS 20 10.012 -5.988 3.107 157 HD3 LYS 20 2HD LYS 20 10.016 -4.525 2.121 158 HE2 LYS 20 1HE LYS 20 8.168 -5.946 1.457 159 HE3 LYS 20 2HE LYS 20 9.324 -5.787 0.134 160 HZ1 LYS 20 1HZ LYS 20 10.155 -8.006 0.658 161 HZ2 LYS 20 2HZ LYS 20 8.539 -8.082 0.451 162 HZ3 LYS 20 3HZ LYS 20 9.166 -8.141 1.954 163 H LEU 21 H LEU 21 15.222 -7.407 1.162 164 HA LEU 21 HA LEU 21 15.692 -6.071 -1.416 165 HB2 LEU 21 1HB LEU 21 16.085 -8.914 -0.418 166 HB3 LEU 21 2HB LEU 21 16.412 -8.432 -2.078 167 HG LEU 21 HG LEU 21 17.770 -7.086 0.296 168 HD11 LEU 21 1HD1 LEU 21 19.712 -8.525 -0.180 169 HD12 LEU 21 2HD1 LEU 21 18.767 -9.419 -1.393 170 HD13 LEU 21 3HD1 LEU 21 18.313 -9.485 0.324 171 HD21 LEU 21 1HD2 LEU 21 19.420 -6.400 -1.379 172 HD22 LEU 21 2HD2 LEU 21 17.815 -5.857 -1.889 173 HD23 LEU 21 3HD2 LEU 21 18.549 -7.279 -2.652 174 H MET 22 H MET 22 14.247 -5.952 -3.024 175 HA MET 22 HA MET 22 12.433 -8.161 -3.586 176 HB2 MET 22 1HB MET 22 10.369 -7.091 -3.369 177 HB3 MET 22 2HB MET 22 11.194 -6.744 -1.854 178 HG2 MET 22 1HG MET 22 11.735 -4.498 -2.600 179 HG3 MET 22 2HG MET 22 10.969 -4.782 -4.167 180 HE1 MET 22 1HE MET 22 7.190 -4.818 -3.462 181 HE2 MET 22 2HE MET 22 8.490 -4.746 -4.674 182 HE3 MET 22 3HE MET 22 8.230 -6.232 -3.731 183 H GLU 23 H GLU 23 10.913 -7.395 -5.557 184 HA GLU 23 HA GLU 23 12.659 -5.954 -7.502 185 HB2 GLU 23 1HB GLU 23 10.784 -8.290 -8.020 186 HB3 GLU 23 2HB GLU 23 11.659 -7.355 -9.222 187 HG2 GLU 23 1HG GLU 23 12.992 -9.240 -8.962 188 HG3 GLU 23 2HG GLU 23 13.824 -7.991 -8.045 189 H ILE 24 H ILE 24 11.861 -4.412 -8.701 190 HA ILE 24 HA ILE 24 8.989 -3.622 -8.452 191 HB ILE 24 HB ILE 24 11.530 -2.031 -8.910 192 HG12 ILE 24 1HG1 ILE 24 9.276 -1.997 -6.860 193 HG13 ILE 24 2HG1 ILE 24 10.925 -2.540 -6.599 194 HG21 ILE 24 1HG2 ILE 24 8.676 -1.030 -9.310 195 HG22 ILE 24 2HG2 ILE 24 10.139 -0.023 -9.289 196 HG23 ILE 24 3HG2 ILE 24 9.915 -1.189 -10.572 197 HD11 ILE 24 1HD1 ILE 24 10.692 -0.398 -5.576 198 HD12 ILE 24 2HD1 ILE 24 11.723 -0.201 -7.008 199 HD13 ILE 24 3HD1 ILE 24 10.019 0.327 -7.041 200 H ASP 25 H ASP 25 7.831 -4.313 -10.061 201 HA ASP 25 HA ASP 25 8.918 -4.560 -12.815 202 HB2 ASP 25 1HB ASP 25 7.454 -6.352 -11.911 203 HB3 ASP 25 2HB ASP 25 6.170 -5.174 -11.672 204 H GLN 26 H GLN 26 8.857 -2.842 -14.123 205 HA GLN 26 HA GLN 26 7.620 -0.373 -13.320 206 HB2 GLN 26 1HB GLN 26 8.798 -1.153 -15.991 207 HB3 GLN 26 2HB GLN 26 8.381 0.487 -15.505 208 HG2 GLN 26 1HG GLN 26 10.469 -1.234 -14.080 209 HG3 GLN 26 2HG GLN 26 10.814 -0.074 -15.347 210 HE21 GLN 26 1HE2 GLN 26 12.279 0.850 -13.660 211 HE22 GLN 26 2HE2 GLN 26 11.567 2.032 -12.565 212 H LYS 27 H LYS 27 6.257 -3.087 -14.951 213 HA LYS 27 HA LYS 27 3.997 -1.556 -16.106 214 HB2 LYS 27 1HB LYS 27 4.404 -4.559 -15.796 215 HB3 LYS 27 2HB LYS 27 3.146 -3.780 -16.736 216 HG2 LYS 27 1HG LYS 27 6.139 -3.737 -17.302 217 HG3 LYS 27 2HG LYS 27 4.911 -4.613 -18.192 218 HD2 LYS 27 1HD LYS 27 5.251 -1.588 -18.058 219 HD3 LYS 27 2HD LYS 27 5.643 -2.618 -19.421 220 HE2 LYS 27 1HE LYS 27 2.830 -2.198 -18.301 221 HE3 LYS 27 2HE LYS 27 3.511 -1.336 -19.679 222 HZ1 LYS 27 1HZ LYS 27 3.737 -3.465 -20.838 223 HZ2 LYS 27 2HZ LYS 27 2.183 -3.209 -20.420 224 HZ3 LYS 27 3HZ LYS 27 3.082 -4.275 -19.577 225 H LYS 28 H LYS 28 4.704 -2.950 -12.996 226 HA LYS 28 HA LYS 28 1.862 -3.274 -12.232 227 HB2 LYS 28 1HB LYS 28 4.491 -3.646 -10.747 228 HB3 LYS 28 2HB LYS 28 2.935 -3.635 -9.911 229 HG2 LYS 28 1HG LYS 28 2.119 -5.473 -11.375 230 HG3 LYS 28 2HG LYS 28 3.684 -5.505 -12.193 231 HD2 LYS 28 1HD LYS 28 3.651 -7.298 -10.613 232 HD3 LYS 28 2HD LYS 28 4.774 -6.078 -9.993 233 HE2 LYS 28 1HE LYS 28 3.047 -5.251 -8.430 234 HE3 LYS 28 2HE LYS 28 1.865 -6.377 -9.111 235 HZ1 LYS 28 1HZ LYS 28 3.254 -8.216 -8.324 236 HZ2 LYS 28 2HZ LYS 28 2.844 -7.257 -7.071 237 HZ3 LYS 28 3HZ LYS 28 4.354 -7.184 -7.693 238 HA PRO 29 HA PRO 29 1.367 0.880 -10.714 239 HB2 PRO 29 1HB PRO 29 -0.627 0.561 -8.861 240 HB3 PRO 29 2HB PRO 29 -0.908 0.466 -10.621 241 HG2 PRO 29 1HG PRO 29 -0.537 -1.800 -8.674 242 HG3 PRO 29 2HG PRO 29 -1.747 -1.656 -9.981 243 HD2 PRO 29 1HD PRO 29 0.570 -3.096 -10.224 244 HD3 PRO 29 2HD PRO 29 -0.196 -2.266 -11.605 245 H LEU 30 H LEU 30 2.228 2.131 -9.116 246 HA LEU 30 HA LEU 30 4.055 0.962 -7.249 247 HB2 LEU 30 1HB LEU 30 2.910 3.756 -7.578 248 HB3 LEU 30 2HB LEU 30 4.104 3.379 -6.340 249 HG LEU 30 HG LEU 30 4.634 2.760 -9.271 250 HD11 LEU 30 1HD1 LEU 30 5.230 5.323 -7.752 251 HD12 LEU 30 2HD1 LEU 30 4.149 5.131 -9.155 252 HD13 LEU 30 3HD1 LEU 30 5.895 4.889 -9.343 253 HD21 LEU 30 1HD2 LEU 30 6.994 2.901 -8.551 254 HD22 LEU 30 2HD2 LEU 30 6.134 1.666 -7.626 255 HD23 LEU 30 3HD2 LEU 30 6.474 3.243 -6.885 256 H SER 31 H SER 31 0.647 1.872 -6.842 257 HA SER 31 HA SER 31 0.541 1.774 -3.987 258 HB2 SER 31 1HB SER 31 -1.874 1.330 -4.348 259 HB3 SER 31 2HB SER 31 -1.270 2.700 -5.296 260 HG SER 31 HG SER 31 -2.599 1.280 -6.534 261 H ALA 32 H ALA 32 0.120 -0.862 -6.422 262 HA ALA 32 HA ALA 32 -0.287 -2.944 -4.472 263 HB1 ALA 32 1HB ALA 32 -0.939 -3.164 -6.842 264 HB2 ALA 32 2HB ALA 32 0.776 -3.119 -7.331 265 HB3 ALA 32 3HB ALA 32 0.159 -4.466 -6.355 266 H ILE 33 H ILE 33 2.671 -1.674 -6.041 267 HA ILE 33 HA ILE 33 4.497 -3.556 -4.834 268 HB ILE 33 HB ILE 33 4.924 -0.735 -5.889 269 HG12 ILE 33 1HG1 ILE 33 5.632 -3.404 -7.185 270 HG13 ILE 33 2HG1 ILE 33 4.115 -2.583 -7.505 271 HG21 ILE 33 1HG2 ILE 33 7.325 -1.243 -5.930 272 HG22 ILE 33 2HG2 ILE 33 6.737 -1.371 -4.287 273 HG23 ILE 33 3HG2 ILE 33 7.026 -2.848 -5.226 274 HD11 ILE 33 1HD1 ILE 33 6.852 -1.430 -8.107 275 HD12 ILE 33 2HD1 ILE 33 5.710 -2.112 -9.272 276 HD13 ILE 33 3HD1 ILE 33 5.296 -0.624 -8.404 277 H ILE 34 H ILE 34 3.498 -0.243 -3.773 278 HA ILE 34 HA ILE 34 5.024 -0.223 -1.373 279 HB ILE 34 HB ILE 34 2.511 1.241 -2.219 280 HG12 ILE 34 1HG1 ILE 34 5.316 2.361 -1.783 281 HG13 ILE 34 2HG1 ILE 34 4.875 1.617 -3.312 282 HG21 ILE 34 1HG2 ILE 34 2.926 2.808 -0.315 283 HG22 ILE 34 2HG2 ILE 34 2.465 1.213 0.235 284 HG23 ILE 34 3HG2 ILE 34 4.172 1.701 0.304 285 HD11 ILE 34 1HD1 ILE 34 4.610 4.022 -3.470 286 HD12 ILE 34 2HD1 ILE 34 3.028 3.234 -3.619 287 HD13 ILE 34 3HD1 ILE 34 3.478 4.033 -2.106 288 H LYS 35 H LYS 35 1.730 -1.543 -1.963 289 HA LYS 35 HA LYS 35 1.214 -2.363 0.735 290 HB2 LYS 35 1HB LYS 35 -0.426 -2.355 -1.182 291 HB3 LYS 35 2HB LYS 35 0.367 -3.791 -1.822 292 HG2 LYS 35 1HG LYS 35 -0.161 -5.032 0.258 293 HG3 LYS 35 2HG LYS 35 -0.908 -3.576 0.940 294 HD2 LYS 35 1HD LYS 35 -2.575 -3.589 -0.925 295 HD3 LYS 35 2HD LYS 35 -1.829 -5.075 -1.556 296 HE2 LYS 35 1HE LYS 35 -2.311 -6.215 0.611 297 HE3 LYS 35 2HE LYS 35 -3.074 -4.738 1.213 298 HZ1 LYS 35 1HZ LYS 35 -4.017 -6.313 -1.128 299 HZ2 LYS 35 2HZ LYS 35 -4.726 -4.946 -0.576 300 HZ3 LYS 35 3HZ LYS 35 -4.722 -6.295 0.342 301 H GLU 36 H GLU 36 3.000 -4.079 -1.885 302 HA GLU 36 HA GLU 36 3.645 -6.389 -0.295 303 HB2 GLU 36 1HB GLU 36 4.656 -5.162 -2.886 304 HB3 GLU 36 2HB GLU 36 5.428 -6.548 -2.194 305 HG2 GLU 36 1HG GLU 36 2.496 -6.355 -2.992 306 HG3 GLU 36 2HG GLU 36 3.766 -7.135 -3.928 307 H VAL 37 H VAL 37 5.247 -3.202 -0.647 308 HA VAL 37 HA VAL 37 7.592 -3.947 0.874 309 HB VAL 37 HB VAL 37 6.370 -1.165 0.833 310 HG11 VAL 37 1HG1 VAL 37 9.204 -2.192 1.314 311 HG12 VAL 37 2HG1 VAL 37 8.690 -0.492 1.326 312 HG13 VAL 37 3HG1 VAL 37 8.100 -1.612 2.562 313 HG21 VAL 37 1HG2 VAL 37 6.818 -1.801 -1.503 314 HG22 VAL 37 2HG2 VAL 37 7.974 -0.615 -0.937 315 HG23 VAL 37 3HG2 VAL 37 8.440 -2.326 -1.060 316 H CYS 38 H CYS 38 4.549 -2.292 1.874 317 HA CYS 38 HA CYS 38 5.235 -2.089 4.613 318 HB2 CYS 38 1HB CYS 38 2.484 -2.119 3.293 319 HB3 CYS 38 2HB CYS 38 2.807 -1.595 4.934 320 HG CYS 38 HG CYS 38 3.859 -0.353 2.059 321 H ASP 39 H ASP 39 3.332 -4.658 2.956 322 HA ASP 39 HA ASP 39 2.703 -6.181 5.275 323 HB2 ASP 39 1HB ASP 39 1.710 -6.430 2.995 324 HB3 ASP 39 2HB ASP 39 3.228 -7.138 2.431 325 H GLY 40 H GLY 40 5.736 -5.936 3.477 326 HA2 GLY 40 1HA GLY 40 7.078 -8.282 4.439 327 HA3 GLY 40 2HA GLY 40 7.823 -6.789 3.849 328 H TRP 41 H TRP 41 6.428 -5.170 5.979 329 HA TRP 41 HA TRP 41 7.858 -6.076 8.440 330 HB2 TRP 41 1HB TRP 41 7.385 -3.276 7.379 331 HB3 TRP 41 2HB TRP 41 8.020 -3.639 8.974 332 HD1 TRP 41 HD TRP 41 10.267 -5.531 8.695 333 HE1 TRP 41 1HE TRP 41 12.387 -5.088 7.315 334 HE3 TRP 41 3HE TRP 41 8.436 -1.968 5.493 335 HZ2 TRP 41 2HZ TRP 41 13.212 -3.361 5.181 336 HZ3 TRP 41 3HZ TRP 41 9.946 -0.923 3.808 337 HH2 TRP 41 HH TRP 41 12.307 -1.610 3.644 338 H SER 42 H SER 42 4.982 -6.491 7.398 339 HA SER 42 HA SER 42 2.856 -6.515 8.138 340 HB2 SER 42 1HB SER 42 4.104 -6.491 10.902 341 HB3 SER 42 2HB SER 42 2.474 -7.048 10.480 342 HG SER 42 HG SER 42 3.974 -8.779 10.628 343 H LEU 43 H LEU 43 3.886 -3.832 7.624 344 HA LEU 43 HA LEU 43 2.782 -1.986 9.584 345 HB2 LEU 43 1HB LEU 43 3.882 -1.722 6.776 346 HB3 LEU 43 2HB LEU 43 3.235 -0.341 7.617 347 HG LEU 43 HG LEU 43 5.505 -2.083 8.704 348 HD11 LEU 43 1HD1 LEU 43 7.032 -0.340 7.926 349 HD12 LEU 43 2HD1 LEU 43 5.678 0.553 7.200 350 HD13 LEU 43 3HD1 LEU 43 6.150 -1.042 6.568 351 HD21 LEU 43 1HD2 LEU 43 4.384 -0.739 10.452 352 HD22 LEU 43 2HD2 LEU 43 4.575 0.725 9.457 353 HD23 LEU 43 3HD2 LEU 43 5.998 -0.111 10.115 354 H ALA 44 H ALA 44 0.771 -1.328 9.809 355 HA ALA 44 HA ALA 44 -1.380 -2.186 8.080 356 HB1 ALA 44 1HB ALA 44 -1.329 -0.224 10.415 357 HB2 ALA 44 2HB ALA 44 -2.781 -0.920 9.672 358 HB3 ALA 44 3HB ALA 44 -1.635 -1.974 10.524 359 H ASN 45 H ASN 45 -2.824 -0.896 6.954 360 HA ASN 45 HA ASN 45 -3.401 0.562 5.308 361 HB2 ASN 45 1HB ASN 45 -2.696 2.493 7.540 362 HB3 ASN 45 2HB ASN 45 -3.699 2.869 6.143 363 HD21 ASN 45 1HD2 ASN 45 -6.038 2.063 8.869 364 HD22 ASN 45 2HD2 ASN 45 -4.862 3.324 8.517 365 H HIS 46 H HIS 46 -1.529 -0.220 4.046 366 HA HIS 46 HA HIS 46 0.846 1.259 3.594 367 HB2 HIS 46 1HB HIS 46 0.992 -0.013 1.566 368 HB3 HIS 46 2HB HIS 46 0.322 -1.062 2.809 369 HD2 HIS 46 2HD HIS 46 -0.476 0.545 -0.535 370 HE1 HIS 46 1HE HIS 46 -4.045 -1.508 0.577 371 HE2 HIS 46 2HE HIS 46 -2.873 -0.252 -1.302 372 H GLU 47 H GLU 47 -2.411 2.069 2.725 373 HA GLU 47 HA GLU 47 -2.149 3.786 0.517 374 HB2 GLU 47 1HB GLU 47 -3.885 4.427 2.928 375 HB3 GLU 47 2HB GLU 47 -4.182 4.772 1.219 376 HG2 GLU 47 1HG GLU 47 -4.268 2.185 0.931 377 HG3 GLU 47 2HG GLU 47 -4.402 2.142 2.703 378 H TYR 48 H TYR 48 -1.130 4.325 3.867 379 HA TYR 48 HA TYR 48 -0.799 7.208 3.642 380 HB2 TYR 48 1HB TYR 48 0.495 5.254 5.573 381 HB3 TYR 48 2HB TYR 48 0.395 6.990 5.766 382 HD1 TYR 48 1HD TYR 48 -0.164 5.753 8.026 383 HD2 TYR 48 2HD TYR 48 -2.891 6.137 4.695 384 HE1 TYR 48 1HE TYR 48 -2.076 5.406 9.553 385 HE2 TYR 48 2HE TYR 48 -4.790 5.677 6.199 386 HH TYR 48 HH TYR 48 -4.402 5.448 9.745 387 H PHE 49 H PHE 49 1.097 4.532 2.522 388 HA PHE 49 HA PHE 49 3.677 5.881 2.982 389 HB2 PHE 49 1HB PHE 49 2.892 3.042 2.337 390 HB3 PHE 49 2HB PHE 49 4.548 3.608 2.239 391 HD1 PHE 49 1HD PHE 49 1.682 3.130 4.590 392 HD2 PHE 49 2HD PHE 49 5.883 4.032 4.183 393 HE1 PHE 49 1HE PHE 49 1.961 2.928 7.045 394 HE2 PHE 49 2HE PHE 49 6.134 3.909 6.644 395 HZ PHE 49 HZ PHE 49 4.191 3.329 8.082 396 H ALA 50 H ALA 50 5.338 5.868 1.537 397 HA ALA 50 HA ALA 50 4.874 5.597 -1.351 398 HB1 ALA 50 1HB ALA 50 5.891 7.810 -1.780 399 HB2 ALA 50 2HB ALA 50 4.384 7.983 -0.853 400 HB3 ALA 50 3HB ALA 50 5.956 8.132 -0.033 401 H LEU 51 H LEU 51 6.773 5.047 -2.450 402 HA LEU 51 HA LEU 51 9.131 4.298 -0.812 403 HB2 LEU 51 1HB LEU 51 8.240 3.840 -3.663 404 HB3 LEU 51 2HB LEU 51 9.955 3.733 -3.272 405 HG LEU 51 HG LEU 51 7.845 2.106 -1.799 406 HD11 LEU 51 1HD1 LEU 51 7.832 1.507 -4.185 407 HD12 LEU 51 2HD1 LEU 51 8.582 0.220 -3.229 408 HD13 LEU 51 3HD1 LEU 51 9.601 1.332 -4.167 409 HD21 LEU 51 1HD2 LEU 51 9.836 0.698 -1.223 410 HD22 LEU 51 2HD2 LEU 51 9.975 2.326 -0.565 411 HD23 LEU 51 3HD2 LEU 51 10.886 1.875 -2.023 412 H GLN 52 H GLN 52 11.178 5.182 -1.171 413 HA GLN 52 HA GLN 52 11.412 7.714 -2.706 414 HB2 GLN 52 1HB GLN 52 10.672 8.158 -0.335 415 HB3 GLN 52 2HB GLN 52 12.147 7.363 0.229 416 HG2 GLN 52 1HG GLN 52 13.468 9.144 -1.015 417 HG3 GLN 52 2HG GLN 52 11.929 9.899 -1.440 418 HE21 GLN 52 1HE2 GLN 52 12.640 11.829 -0.338 419 HE22 GLN 52 2HE2 GLN 52 12.508 11.900 1.415 420 H HIS 53 H HIS 53 13.535 8.216 -3.312 421 HA HIS 53 HA HIS 53 15.441 6.014 -3.544 422 HB2 HIS 53 1HB HIS 53 15.517 8.958 -4.213 423 HB3 HIS 53 2HB HIS 53 16.981 7.977 -4.258 424 HD2 HIS 53 2HD HIS 53 13.712 8.479 -6.176 425 HE1 HIS 53 1HE HIS 53 16.078 5.774 -8.457 426 HE2 HIS 53 2HE HIS 53 13.963 7.220 -8.458 427 H ALA 54 H ALA 54 17.384 5.691 -2.531 428 HA ALA 54 HA ALA 54 18.240 7.582 -0.405 429 HB1 ALA 54 1HB ALA 54 17.017 5.773 0.710 430 HB2 ALA 54 2HB ALA 54 18.031 4.560 -0.098 431 HB3 ALA 54 3HB ALA 54 18.748 5.675 1.087 432 H ASP 55 H ASP 55 19.156 5.310 -2.950 433 HA ASP 55 HA ASP 55 21.973 5.296 -2.442 434 HB2 ASP 55 1HB ASP 55 20.818 3.621 -3.796 435 HB3 ASP 55 2HB ASP 55 20.403 4.822 -5.004 436 H SER 56 H SER 56 20.426 6.914 -5.258 437 HA SER 56 HA SER 56 22.768 8.709 -5.485 438 HB2 SER 56 1HB SER 56 20.418 8.235 -7.355 439 HB3 SER 56 2HB SER 56 21.831 9.245 -7.699 440 HG SER 56 HG SER 56 21.790 6.430 -7.240 441 H SER 57 H SER 57 19.532 9.002 -4.309 442 HA SER 57 HA SER 57 19.721 11.876 -3.884 443 HB2 SER 57 1HB SER 57 19.077 11.711 -6.313 444 HB3 SER 57 2HB SER 57 17.607 10.849 -5.826 445 HG SER 57 HG SER 57 17.334 13.142 -6.116 446 H ASN 58 H ASN 58 17.230 12.548 -3.333 447 HA ASN 58 HA ASN 58 15.978 10.517 -1.535 448 HB2 ASN 58 1HB ASN 58 16.449 13.453 -0.895 449 HB3 ASN 58 2HB ASN 58 15.458 12.357 0.059 450 HD21 ASN 58 1HD2 ASN 58 18.704 13.423 -0.499 451 HD22 ASN 58 2HD2 ASN 58 19.443 12.283 0.617 452 H PHE 59 H PHE 59 15.399 11.510 -4.398 453 HA PHE 59 HA PHE 59 12.896 12.883 -4.365 454 HB2 PHE 59 1HB PHE 59 13.764 10.734 -6.323 455 HB3 PHE 59 2HB PHE 59 12.558 11.977 -6.592 456 HD1 PHE 59 1HD PHE 59 13.858 14.490 -5.816 457 HD2 PHE 59 2HD PHE 59 15.485 11.042 -7.846 458 HE1 PHE 59 1HE PHE 59 15.541 15.932 -6.930 459 HE2 PHE 59 2HE PHE 59 17.152 12.496 -8.971 460 HZ PHE 59 HZ PHE 59 17.186 14.942 -8.513 461 H TYR 60 H TYR 60 10.784 12.218 -4.054 462 HA TYR 60 HA TYR 60 10.177 9.550 -3.030 463 HB2 TYR 60 1HB TYR 60 8.387 11.827 -3.949 464 HB3 TYR 60 2HB TYR 60 7.804 10.305 -3.299 465 HD1 TYR 60 1HD TYR 60 8.234 9.654 -0.933 466 HD2 TYR 60 2HD TYR 60 9.246 13.563 -2.464 467 HE1 TYR 60 1HE TYR 60 8.309 10.552 1.391 468 HE2 TYR 60 2HE TYR 60 9.356 14.442 -0.132 469 HH TYR 60 HH TYR 60 8.689 12.373 2.716 470 H ILE 61 H ILE 61 9.202 7.833 -4.177 471 HA ILE 61 HA ILE 61 9.596 7.806 -7.073 472 HB ILE 61 HB ILE 61 8.384 5.705 -5.252 473 HG12 ILE 61 1HG1 ILE 61 10.676 6.008 -4.570 474 HG13 ILE 61 2HG1 ILE 61 10.557 4.523 -5.490 475 HG21 ILE 61 1HG2 ILE 61 8.922 4.151 -7.145 476 HG22 ILE 61 2HG2 ILE 61 7.671 5.328 -7.535 477 HG23 ILE 61 3HG2 ILE 61 9.316 5.563 -8.147 478 HD11 ILE 61 1HD1 ILE 61 11.510 5.766 -7.489 479 HD12 ILE 61 2HD1 ILE 61 11.722 7.170 -6.422 480 HD13 ILE 61 3HD1 ILE 61 12.588 5.662 -6.086 481 H THR 62 H THR 62 8.130 7.957 -8.633 482 HA THR 62 HA THR 62 5.221 8.168 -8.123 483 HB THR 62 HB THR 62 4.981 10.212 -9.334 484 HG1 THR 62 1HG THR 62 6.820 11.340 -10.088 485 HG21 THR 62 1HG2 THR 62 7.300 10.769 -7.450 486 HG22 THR 62 2HG2 THR 62 5.615 10.529 -6.929 487 HG23 THR 62 3HG2 THR 62 6.034 11.892 -7.981 488 H GLU 63 H GLU 63 4.085 8.339 -10.384 489 HA GLU 63 HA GLU 63 4.844 6.161 -12.032 490 HB2 GLU 63 1HB GLU 63 3.102 8.573 -12.670 491 HB3 GLU 63 2HB GLU 63 3.201 7.097 -13.645 492 HG2 GLU 63 1HG GLU 63 2.476 5.772 -11.633 493 HG3 GLU 63 2HG GLU 63 2.191 7.291 -10.776 494 H LYS 64 H LYS 64 6.032 9.441 -12.104 495 HA LYS 64 HA LYS 64 7.472 9.019 -14.682 496 HB2 LYS 64 1HB LYS 64 6.367 11.187 -14.210 497 HB3 LYS 64 2HB LYS 64 7.425 11.426 -12.813 498 HG2 LYS 64 1HG LYS 64 9.413 11.372 -14.306 499 HG3 LYS 64 2HG LYS 64 8.367 11.105 -15.706 500 HD2 LYS 64 1HD LYS 64 8.305 13.567 -13.901 501 HD3 LYS 64 2HD LYS 64 9.155 13.456 -15.449 502 HE2 LYS 64 1HE LYS 64 6.992 12.976 -16.597 503 HE3 LYS 64 2HE LYS 64 6.143 13.162 -15.057 504 HZ1 LYS 64 1HZ LYS 64 6.091 15.216 -16.343 505 HZ2 LYS 64 2HZ LYS 64 7.719 15.294 -16.400 506 HZ3 LYS 64 3HZ LYS 64 6.939 15.466 -14.973 507 H ASN 65 H ASN 65 8.202 9.521 -11.203 508 HA ASN 65 HA ASN 65 11.056 9.545 -11.668 509 HB2 ASN 65 1HB ASN 65 9.806 10.835 -9.888 510 HB3 ASN 65 2HB ASN 65 9.581 9.325 -9.012 511 HD21 ASN 65 1HD2 ASN 65 11.962 11.718 -10.104 512 HD22 ASN 65 2HD2 ASN 65 13.232 11.159 -9.028 513 H ARG 66 H ARG 66 8.821 6.942 -10.983 514 HA ARG 66 HA ARG 66 10.560 4.929 -10.020 515 HB2 ARG 66 1HB ARG 66 8.984 3.364 -10.939 516 HB3 ARG 66 2HB ARG 66 8.115 4.715 -10.221 517 HG2 ARG 66 1HG ARG 66 7.791 5.714 -12.499 518 HG3 ARG 66 2HG ARG 66 8.596 4.339 -13.214 519 HD2 ARG 66 1HD ARG 66 6.000 4.336 -11.639 520 HD3 ARG 66 2HD ARG 66 6.189 4.055 -13.381 521 HE ARG 66 HE ARG 66 7.757 2.094 -12.190 522 HH11 ARG 66 1HH1 ARG 66 4.312 2.762 -12.368 523 HH12 ARG 66 2HH1 ARG 66 3.931 1.142 -11.800 524 HH21 ARG 66 1HH2 ARG 66 7.104 0.138 -11.290 525 HH22 ARG 66 2HH2 ARG 66 5.400 -0.251 -11.286 526 H ASN 67 H ASN 67 10.496 6.334 -13.227 527 HA ASN 67 HA ASN 67 12.036 4.241 -14.527 528 HB2 ASN 67 1HB ASN 67 11.554 7.149 -15.311 529 HB3 ASN 67 2HB ASN 67 12.215 5.895 -16.354 530 HD21 ASN 67 1HD2 ASN 67 9.323 7.325 -15.175 531 HD22 ASN 67 2HD2 ASN 67 8.210 6.180 -15.922 532 H GLU 68 H GLU 68 12.959 6.778 -12.331 533 HA GLU 68 HA GLU 68 15.772 6.887 -13.180 534 HB2 GLU 68 1HB GLU 68 14.490 7.818 -10.585 535 HB3 GLU 68 2HB GLU 68 16.093 8.221 -11.173 536 HG2 GLU 68 1HG GLU 68 13.431 9.107 -12.340 537 HG3 GLU 68 2HG GLU 68 14.643 10.099 -11.540 538 H ILE 69 H ILE 69 13.887 4.597 -11.441 539 HA ILE 69 HA ILE 69 15.960 3.608 -9.657 540 HB ILE 69 HB ILE 69 13.459 2.238 -10.708 541 HG12 ILE 69 1HG1 ILE 69 13.881 3.691 -8.049 542 HG13 ILE 69 2HG1 ILE 69 12.978 4.349 -9.409 543 HG21 ILE 69 1HG2 ILE 69 15.180 1.553 -8.293 544 HG22 ILE 69 2HG2 ILE 69 13.757 0.661 -8.875 545 HG23 ILE 69 3HG2 ILE 69 15.224 0.678 -9.837 546 HD11 ILE 69 1HD1 ILE 69 12.221 1.910 -7.778 547 HD12 ILE 69 2HD1 ILE 69 11.384 3.458 -7.864 548 HD13 ILE 69 3HD1 ILE 69 11.400 2.397 -9.283 549 H LYS 70 H LYS 70 17.578 2.340 -10.124 550 HA LYS 70 HA LYS 70 17.658 0.747 -12.651 551 HB2 LYS 70 1HB LYS 70 20.142 0.870 -12.487 552 HB3 LYS 70 2HB LYS 70 19.397 2.456 -12.690 553 HG2 LYS 70 1HG LYS 70 19.649 2.943 -10.302 554 HG3 LYS 70 2HG LYS 70 20.285 1.312 -10.008 555 HD2 LYS 70 1HD LYS 70 22.300 1.813 -11.283 556 HD3 LYS 70 2HD LYS 70 21.619 3.357 -11.824 557 HE2 LYS 70 1HE LYS 70 23.188 3.791 -10.015 558 HE3 LYS 70 2HE LYS 70 21.545 4.182 -9.503 559 HZ1 LYS 70 1HZ LYS 70 22.579 2.975 -7.745 560 HZ2 LYS 70 2HZ LYS 70 23.093 1.768 -8.738 561 HZ3 LYS 70 3HZ LYS 70 21.498 1.961 -8.404 562 H ASN 71 H ASN 71 18.968 -1.289 -12.479 563 HA ASN 71 HA ASN 71 17.970 -2.934 -10.348 564 HB2 ASN 71 1HB ASN 71 18.638 -3.682 -12.683 565 HB3 ASN 71 2HB ASN 71 20.327 -3.506 -12.199 566 HD21 ASN 71 1HD2 ASN 71 21.216 -5.448 -11.503 567 HD22 ASN 71 2HD2 ASN 71 20.281 -6.736 -10.756 568 H GLY 72 H GLY 72 18.654 -3.190 -8.332 569 HA2 GLY 72 1HA GLY 72 20.116 -3.411 -6.526 570 HA3 GLY 72 2HA GLY 72 21.456 -2.787 -7.483 571 H THR 73 H THR 73 18.581 -0.792 -7.606 572 HA THR 73 HA THR 73 19.882 1.423 -6.285 573 HB THR 73 HB THR 73 16.931 1.049 -6.897 574 HG1 THR 73 1HG THR 73 18.154 1.029 -8.713 575 HG21 THR 73 1HG2 THR 73 16.827 3.528 -6.891 576 HG22 THR 73 2HG2 THR 73 18.496 3.598 -6.291 577 HG23 THR 73 3HG2 THR 73 17.206 2.898 -5.289 578 H ILE 74 H ILE 74 20.012 2.009 -4.204 579 HA ILE 74 HA ILE 74 18.512 0.559 -2.135 580 HB ILE 74 HB ILE 74 20.312 2.954 -1.717 581 HG12 ILE 74 1HG1 ILE 74 21.075 0.003 -1.503 582 HG13 ILE 74 2HG1 ILE 74 21.556 1.054 -2.835 583 HG21 ILE 74 1HG2 ILE 74 19.391 0.756 0.188 584 HG22 ILE 74 2HG2 ILE 74 20.354 2.190 0.606 585 HG23 ILE 74 3HG2 ILE 74 18.679 2.372 0.111 586 HD11 ILE 74 1HD1 ILE 74 22.731 2.558 -1.245 587 HD12 ILE 74 2HD1 ILE 74 22.404 1.384 0.057 588 HD13 ILE 74 3HD1 ILE 74 23.397 0.915 -1.330 589 H LEU 75 H LEU 75 16.598 1.140 -1.496 590 HA LEU 75 HA LEU 75 15.505 3.887 -1.972 591 HB2 LEU 75 1HB LEU 75 14.077 1.205 -1.971 592 HB3 LEU 75 2HB LEU 75 13.275 2.766 -2.091 593 HG LEU 75 HG LEU 75 15.110 1.521 -4.176 594 HD11 LEU 75 1HD1 LEU 75 12.133 2.192 -4.183 595 HD12 LEU 75 2HD1 LEU 75 12.822 0.565 -3.993 596 HD13 LEU 75 3HD1 LEU 75 13.048 1.458 -5.510 597 HD21 LEU 75 1HD2 LEU 75 15.401 3.951 -4.251 598 HD22 LEU 75 2HD2 LEU 75 13.638 4.195 -4.208 599 HD23 LEU 75 3HD2 LEU 75 14.412 3.433 -5.615 600 H ARG 76 H ARG 76 13.592 4.227 -0.449 601 HA ARG 76 HA ARG 76 13.861 3.032 2.264 602 HB2 ARG 76 1HB ARG 76 15.274 5.008 2.247 603 HB3 ARG 76 2HB ARG 76 13.992 5.982 1.515 604 HG2 ARG 76 1HG ARG 76 12.657 5.872 3.536 605 HG3 ARG 76 2HG ARG 76 13.743 4.658 4.241 606 HD2 ARG 76 1HD ARG 76 14.132 6.889 5.209 607 HD3 ARG 76 2HD ARG 76 15.555 6.292 4.359 608 HE ARG 76 HE ARG 76 13.610 8.278 3.181 609 HH11 ARG 76 1HH1 ARG 76 17.000 7.354 3.581 610 HH12 ARG 76 2HH1 ARG 76 17.517 8.699 2.593 611 HH21 ARG 76 1HH2 ARG 76 14.372 9.881 2.014 612 HH22 ARG 76 2HH2 ARG 76 16.102 10.067 1.714 613 H LEU 77 H LEU 77 11.959 2.714 3.262 614 HA LEU 77 HA LEU 77 9.440 3.529 1.929 615 HB2 LEU 77 1HB LEU 77 9.567 1.269 2.783 616 HB3 LEU 77 2HB LEU 77 10.021 1.840 4.390 617 HG LEU 77 HG LEU 77 7.739 2.943 4.502 618 HD11 LEU 77 1HD1 LEU 77 7.173 3.105 2.115 619 HD12 LEU 77 2HD1 LEU 77 6.037 1.971 2.866 620 HD13 LEU 77 3HD1 LEU 77 7.379 1.355 1.906 621 HD21 LEU 77 1HD2 LEU 77 7.745 -0.048 4.034 622 HD22 LEU 77 2HD2 LEU 77 6.520 0.877 4.918 623 HD23 LEU 77 3HD2 LEU 77 8.173 0.768 5.550 624 H THR 78 H THR 78 8.141 5.163 2.632 625 HA THR 78 HA THR 78 8.532 6.468 5.241 626 HB THR 78 HB THR 78 10.294 7.488 3.922 627 HG1 THR 78 1HG THR 78 9.351 8.934 5.223 628 HG21 THR 78 1HG2 THR 78 8.174 8.206 1.858 629 HG22 THR 78 2HG2 THR 78 9.564 7.122 1.627 630 HG23 THR 78 3HG2 THR 78 9.839 8.836 1.907 631 H THR 79 H THR 79 6.774 8.044 5.708 632 HA THR 79 HA THR 79 4.265 7.354 4.357 633 HB THR 79 HB THR 79 3.261 9.127 5.781 634 HG1 THR 79 1HG THR 79 5.124 10.335 6.246 635 HG21 THR 79 1HG2 THR 79 3.324 7.798 7.826 636 HG22 THR 79 2HG2 THR 79 4.749 6.910 7.232 637 HG23 THR 79 3HG2 THR 79 3.182 6.759 6.405 638 H SER 80 H SER 80 3.088 8.591 2.997 639 HA SER 80 HA SER 80 4.496 9.881 0.954 640 HB2 SER 80 1HB SER 80 2.489 8.754 0.455 641 HB3 SER 80 2HB SER 80 1.576 9.633 1.679 642 HG SER 80 HG SER 80 1.656 10.203 -0.828 643 HA PRO 81 HA PRO 81 4.544 14.238 2.162 644 HB2 PRO 81 1HB PRO 81 4.709 15.461 -0.281 645 HB3 PRO 81 2HB PRO 81 6.075 14.580 0.469 646 HG2 PRO 81 1HG PRO 81 4.110 13.545 -1.600 647 HG3 PRO 81 2HG PRO 81 5.901 13.444 -1.622 648 HD2 PRO 81 1HD PRO 81 4.370 11.378 -0.760 649 HD3 PRO 81 2HD PRO 81 5.920 11.765 0.036 650 H ALA 82 H ALA 82 2.115 12.804 0.058 651 HA ALA 82 HA ALA 82 0.180 15.031 0.412 652 HB1 ALA 82 1HB ALA 82 -0.056 12.303 -0.938 653 HB2 ALA 82 2HB ALA 82 -1.273 13.588 -0.960 654 HB3 ALA 82 3HB ALA 82 0.296 13.844 -1.761 655 H GLN 83 H GLN 83 0.337 11.537 1.056 656 HA GLN 83 HA GLN 83 -0.809 10.136 2.348 657 HB2 GLN 83 1HB GLN 83 0.920 11.337 3.845 658 HB3 GLN 83 2HB GLN 83 -0.462 12.109 4.611 659 HG2 GLN 83 1HG GLN 83 -1.107 9.340 4.440 660 HG3 GLN 83 2HG GLN 83 0.607 9.382 4.835 661 HE21 GLN 83 1HE2 GLN 83 -2.477 10.991 5.821 662 HE22 GLN 83 2HE2 GLN 83 -2.113 10.951 7.554 663 H ASN 84 H ASN 84 -2.647 11.758 0.907 664 HA ASN 84 HA ASN 84 -5.075 11.402 2.532 665 HB2 ASN 84 1HB ASN 84 -4.180 13.738 2.988 666 HB3 ASN 84 2HB ASN 84 -4.386 14.096 1.276 667 HD21 ASN 84 1HD2 ASN 84 -5.768 15.860 2.180 668 HD22 ASN 84 2HD2 ASN 84 -7.438 15.462 2.573 669 H ALA 85 H ALA 85 -7.016 11.434 1.296 670 HA ALA 85 HA ALA 85 -6.923 11.423 -1.643 671 HB1 ALA 85 1HB ALA 85 -7.542 8.899 -0.038 672 HB2 ALA 85 2HB ALA 85 -7.796 9.097 -1.785 673 HB3 ALA 85 3HB ALA 85 -6.153 9.152 -1.119 674 H GLN 86 H GLN 86 -8.317 13.250 -1.255 675 HA GLN 86 HA GLN 86 -10.760 13.140 0.229 676 HB2 GLN 86 1HB GLN 86 -9.996 14.882 -2.149 677 HB3 GLN 86 2HB GLN 86 -11.348 15.192 -1.070 678 HG2 GLN 86 1HG GLN 86 -8.423 15.167 -0.179 679 HG3 GLN 86 2HG GLN 86 -9.315 16.593 -0.669 680 HE21 GLN 86 1HE2 GLN 86 -8.608 17.314 1.559 681 HE22 GLN 86 2HE2 GLN 86 -9.688 16.898 2.885 682 H GLN 87 H GLN 87 -10.013 11.986 -2.972 683 HA GLN 87 HA GLN 87 -12.731 11.779 -3.934 684 HB2 GLN 87 1HB GLN 87 -11.796 10.848 -5.867 685 HB3 GLN 87 2HB GLN 87 -10.715 12.130 -5.376 686 HG2 GLN 87 1HG GLN 87 -10.192 9.161 -4.810 687 HG3 GLN 87 2HG GLN 87 -9.690 9.980 -6.272 688 HE21 GLN 87 1HE2 GLN 87 -7.602 8.924 -5.256 689 HE22 GLN 87 2HE2 GLN 87 -6.655 10.059 -4.302 690 H LEU 88 H LEU 88 -11.333 9.977 -1.509 691 HA LEU 88 HA LEU 88 -11.748 7.290 -2.200 692 HB2 LEU 88 1HB LEU 88 -10.430 8.022 -0.324 693 HB3 LEU 88 2HB LEU 88 -11.857 8.683 0.478 694 HG LEU 88 HG LEU 88 -12.793 6.410 0.749 695 HD11 LEU 88 1HD1 LEU 88 -11.346 4.428 0.303 696 HD12 LEU 88 2HD1 LEU 88 -10.185 5.474 -0.543 697 HD13 LEU 88 3HD1 LEU 88 -11.823 5.230 -1.192 698 HD21 LEU 88 1HD2 LEU 88 -11.143 5.619 2.389 699 HD22 LEU 88 2HD2 LEU 88 -11.315 7.382 2.465 700 HD23 LEU 88 3HD2 LEU 88 -9.903 6.666 1.655 701 H HIS 89 H HIS 89 -13.474 6.111 -2.614 702 HA HIS 89 HA HIS 89 -16.205 7.040 -2.235 703 HB2 HIS 89 1HB HIS 89 -15.145 4.367 -3.222 704 HB3 HIS 89 2HB HIS 89 -16.801 4.951 -3.373 705 HD2 HIS 89 2HD HIS 89 -13.577 4.889 -5.232 706 HE1 HIS 89 1HE HIS 89 -15.804 8.006 -7.111 707 HE2 HIS 89 2HE HIS 89 -13.745 6.519 -7.296 708 H GLU 90 H GLU 90 -17.912 5.754 -1.279 709 HA GLU 90 HA GLU 90 -17.455 4.889 1.423 710 HB2 GLU 90 1HB GLU 90 -19.857 4.455 -0.414 711 HB3 GLU 90 2HB GLU 90 -19.813 4.165 1.315 712 HG2 GLU 90 1HG GLU 90 -20.879 6.222 1.110 713 HG3 GLU 90 2HG GLU 90 -19.260 6.588 1.692 714 H ARG 91 H ARG 91 -17.940 2.802 2.339 715 HA ARG 91 HA ARG 91 -16.523 0.614 1.141 716 HB2 ARG 91 1HB ARG 91 -16.753 1.074 3.584 717 HB3 ARG 91 2HB ARG 91 -18.459 0.620 3.499 718 HG2 ARG 91 1HG ARG 91 -17.818 -1.676 2.795 719 HG3 ARG 91 2HG ARG 91 -16.107 -1.227 2.854 720 HD2 ARG 91 1HD ARG 91 -18.039 -1.157 5.212 721 HD3 ARG 91 2HD ARG 91 -16.921 -2.486 4.858 722 HE ARG 91 HE ARG 91 -15.307 -0.215 4.973 723 HH11 ARG 91 1HH1 ARG 91 -17.386 -1.861 7.264 724 HH12 ARG 91 2HH1 ARG 91 -16.461 -1.312 8.635 725 HH21 ARG 91 1HH2 ARG 91 -14.693 -0.038 8.353 726 HH22 ARG 91 2HH2 ARG 91 -14.181 0.459 6.767 727 H ILE 92 H ILE 92 -17.158 -1.199 0.129 728 HA ILE 92 HA ILE 92 -20.019 -1.800 -0.370 729 HB ILE 92 HB ILE 92 -19.543 -2.291 -2.717 730 HG12 ILE 92 1HG1 ILE 92 -16.861 -0.892 -2.349 731 HG13 ILE 92 2HG1 ILE 92 -17.075 -2.635 -2.532 732 HG21 ILE 92 1HG2 ILE 92 -19.712 -0.036 -3.540 733 HG22 ILE 92 2HG2 ILE 92 -20.527 -0.110 -1.976 734 HG23 ILE 92 3HG2 ILE 92 -18.910 0.616 -2.098 735 HD11 ILE 92 1HD1 ILE 92 -17.729 -0.527 -4.623 736 HD12 ILE 92 2HD1 ILE 92 -16.422 -1.720 -4.655 737 HD13 ILE 92 3HD1 ILE 92 -18.109 -2.261 -4.776 738 H GLN 93 H GLN 93 -20.397 -3.997 -1.120 739 HA GLN 93 HA GLN 93 -18.800 -5.961 0.314 740 HB2 GLN 93 1HB GLN 93 -21.137 -6.286 -1.612 741 HB3 GLN 93 2HB GLN 93 -20.404 -7.583 -0.655 742 HG2 GLN 93 1HG GLN 93 -20.981 -6.338 1.438 743 HG3 GLN 93 2HG GLN 93 -21.804 -5.113 0.471 744 HE21 GLN 93 1HE2 GLN 93 -23.415 -6.134 2.293 745 HE22 GLN 93 2HE2 GLN 93 -24.491 -7.347 1.608 746 H SER 94 H SER 94 -17.602 -7.672 -0.511 747 HA SER 94 HA SER 94 -16.441 -7.316 -3.242 748 HB2 SER 94 1HB SER 94 -15.398 -8.868 -0.847 749 HB3 SER 94 2HB SER 94 -14.614 -8.746 -2.430 750 HG SER 94 HG SER 94 -15.152 -6.626 -0.596 751 H SER 95 H SER 95 -16.242 -9.025 -4.682 752 HA SER 95 HA SER 95 -18.238 -11.096 -4.700 753 HB2 SER 95 1HB SER 95 -15.712 -10.816 -6.374 754 HB3 SER 95 2HB SER 95 -17.100 -11.860 -6.733 755 HG SER 95 HG SER 95 -17.187 -9.861 -7.871 756 H SER 96 H SER 96 -17.974 -13.367 -4.643 757 HA SER 96 HA SER 96 -15.503 -14.458 -3.353 758 HB2 SER 96 1HB SER 96 -16.862 -15.693 -1.758 759 HB3 SER 96 2HB SER 96 -17.120 -13.951 -1.592 760 HG SER 96 HG SER 96 -19.107 -14.130 -2.508 761 H MET 97 H MET 97 -17.613 -14.872 -5.948 762 HA MET 97 HA MET 97 -17.960 -17.684 -6.054 763 HB2 MET 97 1HB MET 97 -19.201 -16.030 -7.389 764 HB3 MET 97 2HB MET 97 -17.736 -15.648 -8.305 765 HG2 MET 97 1HG MET 97 -17.687 -17.909 -9.242 766 HG3 MET 97 2HG MET 97 -19.012 -18.403 -8.187 767 HE1 MET 97 1HE MET 97 -18.592 -15.075 -10.427 768 HE2 MET 97 2HE MET 97 -17.914 -16.426 -11.367 769 HE3 MET 97 3HE MET 97 -19.416 -15.637 -11.895 770 H ASP 98 H ASP 98 -15.131 -15.765 -6.848 771 HA ASP 98 HA ASP 98 -13.721 -17.698 -8.434 772 HB2 ASP 98 1HB ASP 98 -12.680 -15.390 -6.752 773 HB3 ASP 98 2HB ASP 98 -11.750 -16.268 -7.964 774 H ALA 99 H ALA 99 -14.420 -17.875 -5.092 775 HA ALA 99 HA ALA 99 -11.999 -18.996 -4.087 776 HB1 ALA 99 1HB ALA 99 -14.884 -19.345 -3.154 777 HB2 ALA 99 2HB ALA 99 -13.428 -19.682 -2.192 778 HB3 ALA 99 3HB ALA 99 -13.791 -18.020 -2.691 779 H LYS 100 H LYS 100 -14.371 -20.427 -6.115 780 HA LYS 100 HA LYS 100 -14.811 -22.537 -6.888 781 HB2 LYS 100 1HB LYS 100 -12.425 -21.862 -7.633 782 HB3 LYS 100 2HB LYS 100 -11.870 -23.110 -6.513 783 HG2 LYS 100 1HG LYS 100 -13.234 -24.797 -7.786 784 HG3 LYS 100 2HG LYS 100 -13.790 -23.504 -8.863 785 HD2 LYS 100 1HD LYS 100 -11.451 -23.091 -9.577 786 HD3 LYS 100 2HD LYS 100 -10.891 -24.381 -8.487 787 HE2 LYS 100 1HE LYS 100 -12.289 -26.025 -9.718 788 HE3 LYS 100 2HE LYS 100 -12.853 -24.744 -10.798 789 HZ1 LYS 100 1HZ LYS 100 -11.017 -25.989 -11.786 790 HZ2 LYS 100 2HZ LYS 100 -10.026 -25.629 -10.541 791 HZ3 LYS 100 3HZ LYS 100 -10.549 -24.446 -11.541 792 H LEU 101 H LEU 101 -15.261 -22.300 -4.150 793 HA LEU 101 HA LEU 101 -14.147 -24.432 -2.618 794 HB2 LEU 101 1HB LEU 101 -15.700 -23.691 -0.854 795 HB3 LEU 101 2HB LEU 101 -14.727 -22.424 -1.569 796 HG LEU 101 HG LEU 101 -16.721 -21.663 -2.903 797 HD11 LEU 101 1HD1 LEU 101 -18.199 -23.686 -1.164 798 HD12 LEU 101 2HD1 LEU 101 -18.171 -23.612 -2.943 799 HD13 LEU 101 3HD1 LEU 101 -18.979 -22.345 -2.032 800 HD21 LEU 101 1HD2 LEU 101 -16.042 -20.605 -0.786 801 HD22 LEU 101 2HD2 LEU 101 -17.060 -21.749 0.119 802 HD23 LEU 101 3HD2 LEU 101 -17.799 -20.572 -0.992 803 H GLU 102 H GLU 102 -16.607 -24.715 -4.915 804 HA GLU 102 HA GLU 102 -18.036 -26.879 -3.594 805 HB2 GLU 102 1HB GLU 102 -19.514 -26.839 -5.422 806 HB3 GLU 102 2HB GLU 102 -19.112 -25.167 -5.103 807 HG2 GLU 102 1HG GLU 102 -18.077 -26.914 -7.377 808 HG3 GLU 102 2HG GLU 102 -19.241 -25.608 -7.495 809 H ALA 103 H ALA 103 -15.107 -27.099 -4.452 810 HA ALA 103 HA ALA 103 -14.734 -29.354 -6.114 811 HB1 ALA 103 1HB ALA 103 -12.588 -29.467 -4.838 812 HB2 ALA 103 2HB ALA 103 -12.997 -27.803 -5.326 813 HB3 ALA 103 3HB ALA 103 -13.274 -28.323 -3.651 814 H LEU 104 H LEU 104 -14.336 -31.540 -5.620 815 HA LEU 104 HA LEU 104 -15.323 -32.682 -3.056 816 HB2 LEU 104 1HB LEU 104 -16.156 -33.541 -5.856 817 HB3 LEU 104 2HB LEU 104 -16.479 -34.478 -4.403 818 HG LEU 104 HG LEU 104 -17.580 -31.675 -4.906 819 HD11 LEU 104 1HD1 LEU 104 -18.481 -33.324 -6.498 820 HD12 LEU 104 2HD1 LEU 104 -19.711 -32.817 -5.329 821 HD13 LEU 104 3HD1 LEU 104 -18.917 -34.401 -5.151 822 HD21 LEU 104 1HD2 LEU 104 -19.125 -32.243 -3.049 823 HD22 LEU 104 2HD2 LEU 104 -17.451 -32.224 -2.495 824 HD23 LEU 104 3HD2 LEU 104 -18.264 -33.777 -2.795 825 H LYS 105 H LYS 105 -14.549 -34.746 -2.571 826 HA LYS 105 HA LYS 105 -12.290 -35.822 -4.187 827 HB2 LYS 105 1HB LYS 105 -10.744 -35.833 -2.479 828 HB3 LYS 105 2HB LYS 105 -11.452 -34.235 -2.405 829 HG2 LYS 105 1HG LYS 105 -12.040 -36.570 -0.522 830 HG3 LYS 105 2HG LYS 105 -11.000 -35.192 -0.199 831 HD2 LYS 105 1HD LYS 105 -13.002 -33.670 -0.371 832 HD3 LYS 105 2HD LYS 105 -14.017 -35.101 -0.602 833 HE2 LYS 105 1HE LYS 105 -14.214 -34.512 1.682 834 HE3 LYS 105 2HE LYS 105 -13.260 -35.993 1.599 835 HZ1 LYS 105 1HZ LYS 105 -12.139 -33.259 1.960 836 HZ2 LYS 105 2HZ LYS 105 -11.255 -34.634 1.923 837 HZ3 LYS 105 3HZ LYS 105 -12.302 -34.369 3.142 838 H ASP 106 H ASP 106 -15.104 -36.628 -2.549 839 HA ASP 106 HA ASP 106 -14.275 -39.285 -1.665 840 HB2 ASP 106 1HB ASP 106 -15.866 -37.802 -0.428 841 HB3 ASP 106 2HB ASP 106 -17.041 -38.030 -1.723 842 H LEU 107 H LEU 107 -13.648 -39.258 -4.246 843 HA LEU 107 HA LEU 107 -15.762 -40.212 -6.026 844 HB2 LEU 107 1HB LEU 107 -12.748 -39.893 -6.290 845 HB3 LEU 107 2HB LEU 107 -13.727 -40.688 -7.515 846 HG LEU 107 HG LEU 107 -15.103 -38.619 -7.774 847 HD11 LEU 107 1HD1 LEU 107 -14.086 -36.453 -7.033 848 HD12 LEU 107 2HD1 LEU 107 -12.960 -37.365 -6.005 849 HD13 LEU 107 3HD1 LEU 107 -14.718 -37.405 -5.695 850 HD21 LEU 107 1HD2 LEU 107 -13.394 -37.429 -9.083 851 HD22 LEU 107 2HD2 LEU 107 -13.238 -39.179 -9.288 852 HD23 LEU 107 3HD2 LEU 107 -12.106 -38.310 -8.227 853 H ALA 108 H ALA 108 -16.015 -42.257 -6.892 854 HA ALA 108 HA ALA 108 -14.463 -44.555 -5.928 855 HB1 ALA 108 1HB ALA 108 -17.443 -44.264 -5.320 856 HB2 ALA 108 2HB ALA 108 -16.450 -45.703 -5.005 857 HB3 ALA 108 3HB ALA 108 -16.131 -44.200 -4.122 858 H SER 109 H SER 109 -15.008 -46.548 -7.031 859 HA SER 109 HA SER 109 -15.667 -46.248 -9.839 860 HB2 SER 109 1HB SER 109 -14.036 -47.883 -8.973 861 HB3 SER 109 2HB SER 109 -15.335 -48.739 -8.123 862 HG SER 109 HG SER 109 -14.803 -49.676 -10.168 863 H LEU 110 H LEU 110 -17.496 -47.286 -6.993 864 HA LEU 110 HA LEU 110 -19.781 -48.378 -8.334 865 HB2 LEU 110 1HB LEU 110 -19.178 -48.878 -6.003 866 HB3 LEU 110 2HB LEU 110 -19.402 -47.186 -5.562 867 HG LEU 110 HG LEU 110 -21.838 -47.378 -6.079 868 HD11 LEU 110 1HD1 LEU 110 -21.205 -50.342 -6.448 869 HD12 LEU 110 2HD1 LEU 110 -21.812 -49.244 -7.706 870 HD13 LEU 110 3HD1 LEU 110 -22.832 -49.639 -6.321 871 HD21 LEU 110 1HD2 LEU 110 -20.991 -47.718 -3.792 872 HD22 LEU 110 2HD2 LEU 110 -20.777 -49.453 -4.121 873 HD23 LEU 110 3HD2 LEU 110 -22.405 -48.735 -4.114 874 H SER 111 H SER 111 -21.604 -47.452 -9.137 875 HA SER 111 HA SER 111 -21.704 -44.734 -9.876 876 HB2 SER 111 1HB SER 111 -24.014 -46.703 -9.676 877 HB3 SER 111 2HB SER 111 -23.978 -45.211 -10.635 878 HG SER 111 HG SER 111 -23.479 -47.067 -11.897 879 H ARG 112 H ARG 112 -22.728 -42.946 -9.141 880 HA ARG 112 HA ARG 112 -23.561 -42.746 -6.357 881 HB2 ARG 112 1HB ARG 112 -22.301 -40.997 -7.642 882 HB3 ARG 112 2HB ARG 112 -23.750 -40.701 -8.612 883 HG2 ARG 112 1HG ARG 112 -24.968 -39.956 -6.603 884 HG3 ARG 112 2HG ARG 112 -23.579 -40.380 -5.578 885 HD2 ARG 112 1HD ARG 112 -22.195 -38.712 -6.770 886 HD3 ARG 112 2HD ARG 112 -23.580 -38.294 -7.801 887 HE ARG 112 HE ARG 112 -24.425 -37.994 -5.125 888 HH11 ARG 112 1HH1 ARG 112 -22.113 -36.415 -7.230 889 HH12 ARG 112 2HH1 ARG 112 -22.234 -34.899 -6.379 890 HH21 ARG 112 1HH2 ARG 112 -24.529 -36.036 -4.082 891 HH22 ARG 112 2HH2 ARG 112 -23.570 -34.698 -4.642 892 H ASP 113 H ASP 113 -25.579 -42.272 -5.539 893 HA ASP 113 HA ASP 113 -27.887 -43.493 -6.757 894 HB2 ASP 113 1HB ASP 113 -27.665 -41.658 -4.348 895 HB3 ASP 113 2HB ASP 113 -29.112 -42.540 -4.817 Start of MODEL 17 1 H1 GLY 0 1H GLY 0 -3.016 -10.986 -15.827 2 H2 GLY 0 2H GLY 0 -3.601 -11.323 -14.337 3 H3 GLY 0 3H GLY 0 -4.382 -11.880 -15.667 4 HA2 GLY 0 1HA GLY 0 -3.175 -13.677 -14.627 5 HA3 GLY 0 2HA GLY 0 -2.533 -13.307 -16.238 6 H MET 1 H MET 1 -0.699 -14.547 -15.139 7 HA MET 1 HA MET 1 0.924 -13.322 -13.133 8 HB2 MET 1 1HB MET 1 0.929 -15.728 -13.707 9 HB3 MET 1 2HB MET 1 1.640 -15.352 -15.279 10 HG2 MET 1 1HG MET 1 3.650 -14.422 -14.106 11 HG3 MET 1 2HG MET 1 2.903 -14.839 -12.562 12 HE1 MET 1 1HE MET 1 4.681 -17.812 -15.639 13 HE2 MET 1 2HE MET 1 3.231 -16.871 -16.035 14 HE3 MET 1 3HE MET 1 4.775 -16.040 -15.733 15 HA PRO 2 HA PRO 2 2.923 -10.196 -15.681 16 HB2 PRO 2 1HB PRO 2 5.104 -9.552 -14.134 17 HB3 PRO 2 2HB PRO 2 3.426 -9.056 -13.747 18 HG2 PRO 2 1HG PRO 2 4.954 -11.452 -12.675 19 HG3 PRO 2 2HG PRO 2 4.039 -10.219 -11.746 20 HD2 PRO 2 1HD PRO 2 2.927 -12.596 -12.386 21 HD3 PRO 2 2HD PRO 2 1.955 -11.099 -12.461 22 HA PRO 3 HA PRO 3 6.002 -12.429 -17.994 23 HB2 PRO 3 1HB PRO 3 7.298 -10.460 -19.382 24 HB3 PRO 3 2HB PRO 3 5.589 -10.899 -19.690 25 HG2 PRO 3 1HG PRO 3 6.643 -8.646 -17.940 26 HG3 PRO 3 2HG PRO 3 5.397 -8.553 -19.227 27 HD2 PRO 3 1HD PRO 3 4.731 -8.811 -16.599 28 HD3 PRO 3 2HD PRO 3 3.789 -9.636 -17.877 29 HA PRO 4 HA PRO 4 9.909 -12.138 -15.719 30 HB2 PRO 4 1HB PRO 4 11.521 -13.783 -17.145 31 HB3 PRO 4 2HB PRO 4 10.044 -14.387 -16.347 32 HG2 PRO 4 1HG PRO 4 10.340 -13.523 -19.249 33 HG3 PRO 4 2HG PRO 4 9.692 -15.075 -18.623 34 HD2 PRO 4 1HD PRO 4 8.073 -12.960 -19.273 35 HD3 PRO 4 2HD PRO 4 7.690 -14.067 -17.921 36 H ALA 5 H ALA 5 9.367 -9.798 -17.108 37 HA ALA 5 HA ALA 5 11.967 -8.850 -18.116 38 HB1 ALA 5 1HB ALA 5 10.987 -8.055 -20.242 39 HB2 ALA 5 2HB ALA 5 10.874 -9.821 -20.121 40 HB3 ALA 5 3HB ALA 5 9.437 -8.815 -19.825 41 H ASP 6 H ASP 6 11.930 -6.494 -18.539 42 HA ASP 6 HA ASP 6 11.789 -4.414 -17.708 43 HB2 ASP 6 1HB ASP 6 8.797 -4.869 -17.664 44 HB3 ASP 6 2HB ASP 6 9.631 -3.318 -17.691 45 H ILE 7 H ILE 7 12.183 -6.493 -15.729 46 HA ILE 7 HA ILE 7 11.118 -5.209 -13.258 47 HB ILE 7 HB ILE 7 12.073 -8.000 -13.844 48 HG12 ILE 7 1HG1 ILE 7 9.493 -7.257 -12.448 49 HG13 ILE 7 2HG1 ILE 7 9.584 -7.024 -14.188 50 HG21 ILE 7 1HG2 ILE 7 11.474 -6.825 -11.099 51 HG22 ILE 7 2HG2 ILE 7 11.613 -8.560 -11.447 52 HG23 ILE 7 3HG2 ILE 7 13.016 -7.522 -11.655 53 HD11 ILE 7 1HD1 ILE 7 10.024 -9.668 -12.760 54 HD12 ILE 7 2HD1 ILE 7 8.595 -9.170 -13.689 55 HD13 ILE 7 3HD1 ILE 7 10.149 -9.395 -14.517 56 H VAL 8 H VAL 8 12.400 -4.547 -11.657 57 HA VAL 8 HA VAL 8 15.363 -4.767 -11.870 58 HB VAL 8 HB VAL 8 15.525 -2.447 -10.995 59 HG11 VAL 8 1HG1 VAL 8 14.269 -2.664 -13.756 60 HG12 VAL 8 2HG1 VAL 8 15.332 -1.368 -13.175 61 HG13 VAL 8 3HG1 VAL 8 15.967 -3.013 -13.366 62 HG21 VAL 8 1HG2 VAL 8 12.611 -2.166 -11.829 63 HG22 VAL 8 2HG2 VAL 8 13.287 -1.963 -10.196 64 HG23 VAL 8 3HG2 VAL 8 13.714 -0.827 -11.477 65 H LYS 9 H LYS 9 16.317 -5.460 -10.075 66 HA LYS 9 HA LYS 9 14.812 -5.920 -7.612 67 HB2 LYS 9 1HB LYS 9 16.739 -7.319 -8.648 68 HB3 LYS 9 2HB LYS 9 17.825 -6.118 -7.937 69 HG2 LYS 9 1HG LYS 9 16.801 -6.644 -5.679 70 HG3 LYS 9 2HG LYS 9 15.782 -7.850 -6.474 71 HD2 LYS 9 1HD LYS 9 18.044 -8.880 -7.335 72 HD3 LYS 9 2HD LYS 9 18.784 -7.857 -6.099 73 HE2 LYS 9 1HE LYS 9 18.484 -9.769 -4.861 74 HE3 LYS 9 2HE LYS 9 16.955 -8.955 -4.512 75 HZ1 LYS 9 1HZ LYS 9 17.392 -11.107 -6.522 76 HZ2 LYS 9 2HZ LYS 9 15.962 -10.351 -6.362 77 HZ3 LYS 9 3HZ LYS 9 16.555 -11.253 -5.135 78 H VAL 10 H VAL 10 14.978 -4.844 -5.681 79 HA VAL 10 HA VAL 10 16.733 -2.456 -5.452 80 HB VAL 10 HB VAL 10 14.949 -1.078 -4.542 81 HG11 VAL 10 1HG1 VAL 10 15.516 -0.971 -6.971 82 HG12 VAL 10 2HG1 VAL 10 14.144 -2.047 -7.309 83 HG13 VAL 10 3HG1 VAL 10 13.868 -0.452 -6.584 84 HG21 VAL 10 1HG2 VAL 10 12.993 -3.255 -5.398 85 HG22 VAL 10 2HG2 VAL 10 13.363 -2.764 -3.731 86 HG23 VAL 10 3HG2 VAL 10 12.570 -1.632 -4.823 87 H ALA 11 H ALA 11 17.192 -1.797 -3.353 88 HA ALA 11 HA ALA 11 16.480 -3.721 -1.162 89 HB1 ALA 11 1HB ALA 11 18.597 -3.122 -0.097 90 HB2 ALA 11 2HB ALA 11 18.888 -3.792 -1.715 91 HB3 ALA 11 3HB ALA 11 19.000 -2.038 -1.447 92 H ILE 12 H ILE 12 15.264 -2.872 0.428 93 HA ILE 12 HA ILE 12 14.841 0.076 0.459 94 HB ILE 12 HB ILE 12 12.915 -2.123 1.200 95 HG12 ILE 12 1HG1 ILE 12 12.899 -0.392 -1.313 96 HG13 ILE 12 2HG1 ILE 12 13.552 -2.025 -1.291 97 HG21 ILE 12 1HG2 ILE 12 11.234 -0.319 1.254 98 HG22 ILE 12 2HG2 ILE 12 12.531 0.105 2.346 99 HG23 ILE 12 3HG2 ILE 12 12.452 0.868 0.748 100 HD11 ILE 12 1HD1 ILE 12 11.281 -2.041 -2.124 101 HD12 ILE 12 2HD1 ILE 12 11.437 -2.972 -0.611 102 HD13 ILE 12 3HD1 ILE 12 10.697 -1.362 -0.597 103 H GLU 13 H GLU 13 15.441 1.146 2.122 104 HA GLU 13 HA GLU 13 16.135 -0.060 4.706 105 HB2 GLU 13 1HB GLU 13 16.153 2.777 3.633 106 HB3 GLU 13 2HB GLU 13 16.609 2.398 5.283 107 HG2 GLU 13 1HG GLU 13 17.978 1.163 2.848 108 HG3 GLU 13 2HG GLU 13 18.484 2.675 3.592 109 H TRP 14 H TRP 14 15.135 0.095 6.603 110 HA TRP 14 HA TRP 14 13.081 2.023 7.229 111 HB2 TRP 14 1HB TRP 14 11.708 0.297 6.115 112 HB3 TRP 14 2HB TRP 14 12.361 -0.930 7.195 113 HD1 TRP 14 HD TRP 14 11.319 -1.152 9.546 114 HE1 TRP 14 1HE TRP 14 9.304 -0.130 10.762 115 HE3 TRP 14 3HE TRP 14 10.412 2.756 6.397 116 HZ2 TRP 14 2HZ TRP 14 7.570 2.160 10.445 117 HZ3 TRP 14 3HZ TRP 14 8.634 4.407 6.922 118 HH2 TRP 14 HH TRP 14 7.203 4.117 8.937 119 HA PRO 15 HA PRO 15 15.455 1.429 10.908 120 HB2 PRO 15 1HB PRO 15 13.956 2.660 12.859 121 HB3 PRO 15 2HB PRO 15 14.820 3.534 11.557 122 HG2 PRO 15 1HG PRO 15 11.901 2.704 11.621 123 HG3 PRO 15 2HG PRO 15 12.586 4.312 11.215 124 HD2 PRO 15 1HD PRO 15 11.897 2.555 9.292 125 HD3 PRO 15 2HD PRO 15 13.363 3.534 9.105 126 H GLY 16 H GLY 16 15.728 0.199 12.779 127 HA2 GLY 16 1HA GLY 16 15.374 -1.487 14.306 128 HA3 GLY 16 2HA GLY 16 13.635 -1.342 14.047 129 H ALA 17 H ALA 17 15.302 -1.928 11.109 130 HA ALA 17 HA ALA 17 15.181 -4.878 11.253 131 HB1 ALA 17 1HB ALA 17 12.881 -4.148 10.657 132 HB2 ALA 17 2HB ALA 17 13.534 -3.213 9.293 133 HB3 ALA 17 3HB ALA 17 13.672 -4.987 9.311 134 H TYR 18 H TYR 18 16.086 -5.926 9.379 135 HA TYR 18 HA TYR 18 18.406 -4.618 8.225 136 HB2 TYR 18 1HB TYR 18 17.079 -7.284 7.626 137 HB3 TYR 18 2HB TYR 18 18.643 -6.777 7.003 138 HD1 TYR 18 1HD TYR 18 20.506 -6.189 8.713 139 HD2 TYR 18 2HD TYR 18 16.949 -8.421 9.719 140 HE1 TYR 18 1HE TYR 18 21.639 -7.090 10.745 141 HE2 TYR 18 2HE TYR 18 18.082 -9.314 11.745 142 HH TYR 18 HH TYR 18 19.999 -9.345 12.999 143 HA PRO 19 HA PRO 19 16.619 -2.973 4.501 144 HB2 PRO 19 1HB PRO 19 18.875 -4.231 2.952 145 HB3 PRO 19 2HB PRO 19 18.282 -2.540 2.925 146 HG2 PRO 19 1HG PRO 19 20.541 -3.185 4.286 147 HG3 PRO 19 2HG PRO 19 19.344 -2.062 5.010 148 HD2 PRO 19 1HD PRO 19 19.698 -5.022 5.549 149 HD3 PRO 19 2HD PRO 19 19.494 -3.671 6.707 150 H LYS 20 H LYS 20 14.926 -3.683 3.331 151 HA LYS 20 HA LYS 20 14.533 -6.576 2.843 152 HB2 LYS 20 1HB LYS 20 12.697 -5.389 3.783 153 HB3 LYS 20 2HB LYS 20 12.745 -4.142 2.526 154 HG2 LYS 20 1HG LYS 20 11.948 -5.656 0.844 155 HG3 LYS 20 2HG LYS 20 12.200 -7.068 1.891 156 HD2 LYS 20 1HD LYS 20 10.425 -6.389 3.377 157 HD3 LYS 20 2HD LYS 20 10.231 -4.831 2.542 158 HE2 LYS 20 1HE LYS 20 9.420 -5.875 0.544 159 HE3 LYS 20 2HE LYS 20 9.901 -7.486 1.085 160 HZ1 LYS 20 1HZ LYS 20 7.449 -6.890 1.333 161 HZ2 LYS 20 2HZ LYS 20 7.871 -5.904 2.561 162 HZ3 LYS 20 3HZ LYS 20 8.172 -7.524 2.658 163 H LEU 21 H LEU 21 15.309 -7.501 1.083 164 HA LEU 21 HA LEU 21 15.661 -6.046 -1.459 165 HB2 LEU 21 1HB LEU 21 16.100 -8.926 -0.600 166 HB3 LEU 21 2HB LEU 21 16.258 -8.408 -2.274 167 HG LEU 21 HG LEU 21 17.875 -7.133 -0.027 168 HD11 LEU 21 1HD1 LEU 21 18.655 -9.428 -1.876 169 HD12 LEU 21 2HD1 LEU 21 18.386 -9.539 -0.122 170 HD13 LEU 21 3HD1 LEU 21 19.737 -8.578 -0.747 171 HD21 LEU 21 1HD2 LEU 21 17.721 -5.832 -2.155 172 HD22 LEU 21 2HD2 LEU 21 18.298 -7.245 -3.054 173 HD23 LEU 21 3HD2 LEU 21 19.355 -6.444 -1.872 174 H MET 22 H MET 22 14.191 -5.944 -3.049 175 HA MET 22 HA MET 22 12.223 -8.057 -3.450 176 HB2 MET 22 1HB MET 22 10.243 -6.867 -3.167 177 HB3 MET 22 2HB MET 22 11.181 -6.484 -1.746 178 HG2 MET 22 1HG MET 22 10.393 -4.402 -2.253 179 HG3 MET 22 2HG MET 22 11.925 -4.360 -3.104 180 HE1 MET 22 1HE MET 22 7.700 -4.785 -5.017 181 HE2 MET 22 2HE MET 22 8.380 -6.043 -3.979 182 HE3 MET 22 3HE MET 22 7.995 -4.444 -3.295 183 H GLU 23 H GLU 23 10.753 -7.335 -5.466 184 HA GLU 23 HA GLU 23 12.600 -6.178 -7.512 185 HB2 GLU 23 1HB GLU 23 11.198 -8.854 -7.500 186 HB3 GLU 23 2HB GLU 23 11.695 -8.062 -9.001 187 HG2 GLU 23 1HG GLU 23 14.005 -8.037 -8.367 188 HG3 GLU 23 2HG GLU 23 13.626 -8.476 -6.701 189 H ILE 24 H ILE 24 11.771 -4.512 -8.404 190 HA ILE 24 HA ILE 24 8.859 -3.999 -8.454 191 HB ILE 24 HB ILE 24 11.331 -2.328 -9.009 192 HG12 ILE 24 1HG1 ILE 24 9.091 -2.189 -6.951 193 HG13 ILE 24 2HG1 ILE 24 10.747 -2.709 -6.660 194 HG21 ILE 24 1HG2 ILE 24 9.806 -0.397 -9.465 195 HG22 ILE 24 2HG2 ILE 24 9.728 -1.621 -10.707 196 HG23 ILE 24 3HG2 ILE 24 8.433 -1.528 -9.498 197 HD11 ILE 24 1HD1 ILE 24 11.536 -0.399 -7.265 198 HD12 ILE 24 2HD1 ILE 24 9.828 0.115 -7.281 199 HD13 ILE 24 3HD1 ILE 24 10.549 -0.509 -5.795 200 H ASP 25 H ASP 25 7.719 -4.755 -10.093 201 HA ASP 25 HA ASP 25 8.831 -5.068 -12.831 202 HB2 ASP 25 1HB ASP 25 7.266 -6.770 -12.049 203 HB3 ASP 25 2HB ASP 25 6.094 -5.539 -11.603 204 H GLN 26 H GLN 26 8.962 -3.310 -14.126 205 HA GLN 26 HA GLN 26 7.812 -0.803 -13.300 206 HB2 GLN 26 1HB GLN 26 9.219 -1.568 -15.855 207 HB3 GLN 26 2HB GLN 26 8.741 0.076 -15.446 208 HG2 GLN 26 1HG GLN 26 10.619 -1.579 -13.689 209 HG3 GLN 26 2HG GLN 26 11.150 -0.530 -14.989 210 HE21 GLN 26 1HE2 GLN 26 12.344 0.879 -13.599 211 HE22 GLN 26 2HE2 GLN 26 11.502 2.008 -12.549 212 H LYS 27 H LYS 27 6.300 -3.357 -14.947 213 HA LYS 27 HA LYS 27 4.204 -1.588 -16.121 214 HB2 LYS 27 1HB LYS 27 4.467 -4.621 -16.091 215 HB3 LYS 27 2HB LYS 27 3.226 -3.707 -16.931 216 HG2 LYS 27 1HG LYS 27 6.211 -3.644 -17.564 217 HG3 LYS 27 2HG LYS 27 4.947 -4.477 -18.471 218 HD2 LYS 27 1HD LYS 27 3.842 -2.236 -18.877 219 HD3 LYS 27 2HD LYS 27 5.262 -1.462 -18.138 220 HE2 LYS 27 1HE LYS 27 6.723 -2.531 -19.841 221 HE3 LYS 27 2HE LYS 27 5.312 -3.306 -20.567 222 HZ1 LYS 27 1HZ LYS 27 5.832 -1.299 -21.781 223 HZ2 LYS 27 2HZ LYS 27 5.791 -0.380 -20.428 224 HZ3 LYS 27 3HZ LYS 27 4.421 -1.061 -21.008 225 H LYS 28 H LYS 28 4.722 -3.231 -13.088 226 HA LYS 28 HA LYS 28 1.801 -3.339 -12.527 227 HB2 LYS 28 1HB LYS 28 2.173 -4.784 -10.853 228 HB3 LYS 28 2HB LYS 28 3.542 -5.180 -11.872 229 HG2 LYS 28 1HG LYS 28 4.994 -3.769 -10.424 230 HG3 LYS 28 2HG LYS 28 3.602 -3.403 -9.399 231 HD2 LYS 28 1HD LYS 28 4.660 -6.219 -9.886 232 HD3 LYS 28 2HD LYS 28 5.132 -5.199 -8.521 233 HE2 LYS 28 1HE LYS 28 2.763 -5.060 -7.792 234 HE3 LYS 28 2HE LYS 28 2.285 -6.106 -9.139 235 HZ1 LYS 28 1HZ LYS 28 4.110 -6.882 -6.914 236 HZ2 LYS 28 2HZ LYS 28 3.677 -7.870 -8.168 237 HZ3 LYS 28 3HZ LYS 28 2.600 -7.341 -7.037 238 HA PRO 29 HA PRO 29 1.558 0.581 -10.732 239 HB2 PRO 29 1HB PRO 29 -0.474 0.344 -8.889 240 HB3 PRO 29 2HB PRO 29 -0.728 0.266 -10.650 241 HG2 PRO 29 1HG PRO 29 -0.499 -2.019 -8.708 242 HG3 PRO 29 2HG PRO 29 -1.659 -1.819 -10.057 243 HD2 PRO 29 1HD PRO 29 0.589 -3.353 -10.220 244 HD3 PRO 29 2HD PRO 29 -0.097 -2.497 -11.626 245 H LEU 30 H LEU 30 2.304 1.898 -9.129 246 HA LEU 30 HA LEU 30 4.052 0.790 -7.153 247 HB2 LEU 30 1HB LEU 30 2.907 3.547 -7.623 248 HB3 LEU 30 2HB LEU 30 3.998 3.221 -6.272 249 HG LEU 30 HG LEU 30 4.763 2.504 -9.131 250 HD11 LEU 30 1HD1 LEU 30 6.003 4.626 -9.158 251 HD12 LEU 30 2HD1 LEU 30 5.258 5.081 -7.604 252 HD13 LEU 30 3HD1 LEU 30 4.249 4.865 -9.055 253 HD21 LEU 30 1HD2 LEU 30 6.135 1.448 -7.344 254 HD22 LEU 30 2HD2 LEU 30 6.423 3.044 -6.624 255 HD23 LEU 30 3HD2 LEU 30 7.059 2.656 -8.238 256 H SER 31 H SER 31 0.611 1.693 -6.862 257 HA SER 31 HA SER 31 0.469 1.569 -4.011 258 HB2 SER 31 1HB SER 31 -1.387 2.371 -5.387 259 HB3 SER 31 2HB SER 31 -1.596 0.759 -6.096 260 HG SER 31 HG SER 31 -3.062 1.185 -4.377 261 H ALA 32 H ALA 32 0.221 -1.095 -6.439 262 HA ALA 32 HA ALA 32 -0.114 -3.189 -4.490 263 HB1 ALA 32 1HB ALA 32 0.972 -3.274 -7.352 264 HB2 ALA 32 2HB ALA 32 0.455 -4.674 -6.390 265 HB3 ALA 32 3HB ALA 32 -0.728 -3.446 -6.866 266 H ILE 33 H ILE 33 2.834 -1.867 -6.091 267 HA ILE 33 HA ILE 33 4.725 -3.584 -4.826 268 HB ILE 33 HB ILE 33 4.934 -0.737 -5.863 269 HG12 ILE 33 1HG1 ILE 33 6.055 -3.288 -7.071 270 HG13 ILE 33 2HG1 ILE 33 4.410 -2.789 -7.394 271 HG21 ILE 33 1HG2 ILE 33 7.186 -2.582 -4.973 272 HG22 ILE 33 2HG2 ILE 33 7.403 -1.043 -5.837 273 HG23 ILE 33 3HG2 ILE 33 6.733 -1.048 -4.214 274 HD11 ILE 33 1HD1 ILE 33 5.098 -0.740 -8.450 275 HD12 ILE 33 2HD1 ILE 33 6.797 -1.026 -8.021 276 HD13 ILE 33 3HD1 ILE 33 5.971 -2.092 -9.177 277 H ILE 34 H ILE 34 3.604 -0.316 -3.757 278 HA ILE 34 HA ILE 34 5.181 -0.257 -1.388 279 HB ILE 34 HB ILE 34 2.606 1.170 -2.128 280 HG12 ILE 34 1HG1 ILE 34 5.399 2.378 -1.963 281 HG13 ILE 34 2HG1 ILE 34 4.895 1.548 -3.419 282 HG21 ILE 34 1HG2 ILE 34 3.144 2.782 -0.314 283 HG22 ILE 34 2HG2 ILE 34 2.833 1.186 0.338 284 HG23 ILE 34 3HG2 ILE 34 4.503 1.757 0.198 285 HD11 ILE 34 1HD1 ILE 34 2.959 3.083 -3.668 286 HD12 ILE 34 2HD1 ILE 34 3.482 3.962 -2.228 287 HD13 ILE 34 3HD1 ILE 34 4.516 3.932 -3.667 288 H LYS 35 H LYS 35 1.832 -1.487 -1.915 289 HA LYS 35 HA LYS 35 1.333 -2.315 0.766 290 HB2 LYS 35 1HB LYS 35 -0.286 -2.229 -1.202 291 HB3 LYS 35 2HB LYS 35 0.408 -3.756 -1.751 292 HG2 LYS 35 1HG LYS 35 -0.246 -4.810 0.410 293 HG3 LYS 35 2HG LYS 35 -0.886 -3.250 0.968 294 HD2 LYS 35 1HD LYS 35 -2.519 -3.262 -0.916 295 HD3 LYS 35 2HD LYS 35 -1.890 -4.843 -1.435 296 HE2 LYS 35 1HE LYS 35 -2.501 -5.797 0.785 297 HE3 LYS 35 2HE LYS 35 -3.134 -4.223 1.286 298 HZ1 LYS 35 1HZ LYS 35 -4.194 -5.844 -0.971 299 HZ2 LYS 35 2HZ LYS 35 -4.779 -4.390 -0.508 300 HZ3 LYS 35 3HZ LYS 35 -4.907 -5.677 0.485 301 H GLU 36 H GLU 36 3.066 -4.047 -1.875 302 HA GLU 36 HA GLU 36 3.511 -6.463 -0.355 303 HB2 GLU 36 1HB GLU 36 4.557 -5.243 -2.924 304 HB3 GLU 36 2HB GLU 36 5.234 -6.728 -2.285 305 HG2 GLU 36 1HG GLU 36 3.162 -7.902 -2.450 306 HG3 GLU 36 2HG GLU 36 2.240 -6.419 -2.686 307 H VAL 37 H VAL 37 5.281 -3.400 -0.608 308 HA VAL 37 HA VAL 37 7.627 -4.333 0.844 309 HB VAL 37 HB VAL 37 6.573 -1.510 0.479 310 HG11 VAL 37 1HG1 VAL 37 8.816 -0.802 1.184 311 HG12 VAL 37 2HG1 VAL 37 8.038 -1.707 2.486 312 HG13 VAL 37 3HG1 VAL 37 9.281 -2.490 1.497 313 HG21 VAL 37 1HG2 VAL 37 8.835 -3.028 -0.888 314 HG22 VAL 37 2HG2 VAL 37 7.291 -2.614 -1.628 315 HG23 VAL 37 3HG2 VAL 37 8.386 -1.320 -1.161 316 H CYS 38 H CYS 38 4.887 -2.259 1.848 317 HA CYS 38 HA CYS 38 5.476 -2.048 4.554 318 HB2 CYS 38 1HB CYS 38 2.797 -2.015 3.100 319 HB3 CYS 38 2HB CYS 38 2.982 -1.526 4.771 320 HG CYS 38 HG CYS 38 4.550 0.444 4.461 321 H ASP 39 H ASP 39 3.493 -4.649 3.061 322 HA ASP 39 HA ASP 39 2.526 -5.826 5.423 323 HB2 ASP 39 1HB ASP 39 1.789 -6.305 3.098 324 HB3 ASP 39 2HB ASP 39 3.301 -7.165 2.800 325 H GLY 40 H GLY 40 5.763 -6.124 4.031 326 HA2 GLY 40 1HA GLY 40 6.605 -8.500 5.472 327 HA3 GLY 40 2HA GLY 40 7.658 -7.302 4.713 328 H TRP 41 H TRP 41 6.580 -5.050 6.267 329 HA TRP 41 HA TRP 41 7.756 -5.593 8.954 330 HB2 TRP 41 1HB TRP 41 7.317 -2.996 7.456 331 HB3 TRP 41 2HB TRP 41 7.943 -3.119 9.097 332 HD1 TRP 41 HD TRP 41 10.134 -5.162 9.034 333 HE1 TRP 41 1HE TRP 41 12.268 -4.926 7.631 334 HE3 TRP 41 3HE TRP 41 8.440 -1.847 5.512 335 HZ2 TRP 41 2HZ TRP 41 13.164 -3.427 5.350 336 HZ3 TRP 41 3HZ TRP 41 9.984 -1.012 3.745 337 HH2 TRP 41 HH TRP 41 12.325 -1.796 3.654 338 H SER 42 H SER 42 4.907 -6.122 7.836 339 HA SER 42 HA SER 42 2.789 -6.130 8.479 340 HB2 SER 42 1HB SER 42 2.256 -6.557 10.728 341 HB3 SER 42 2HB SER 42 3.842 -7.260 10.410 342 HG SER 42 HG SER 42 4.699 -5.241 11.356 343 H LEU 43 H LEU 43 3.878 -3.472 7.766 344 HA LEU 43 HA LEU 43 2.465 -1.470 9.343 345 HB2 LEU 43 1HB LEU 43 3.915 -1.433 6.682 346 HB3 LEU 43 2HB LEU 43 3.177 -0.000 7.356 347 HG LEU 43 HG LEU 43 5.323 -1.653 8.786 348 HD11 LEU 43 1HD1 LEU 43 5.649 0.883 7.143 349 HD12 LEU 43 2HD1 LEU 43 6.185 -0.750 6.672 350 HD13 LEU 43 3HD1 LEU 43 6.918 0.048 8.066 351 HD21 LEU 43 1HD2 LEU 43 4.305 1.185 9.265 352 HD22 LEU 43 2HD2 LEU 43 5.657 0.406 10.116 353 HD23 LEU 43 3HD2 LEU 43 4.019 -0.220 10.319 354 H ALA 44 H ALA 44 0.346 -1.297 9.350 355 HA ALA 44 HA ALA 44 -1.397 -2.133 7.182 356 HB1 ALA 44 1HB ALA 44 -1.948 -0.546 9.730 357 HB2 ALA 44 2HB ALA 44 -3.169 -1.285 8.674 358 HB3 ALA 44 3HB ALA 44 -2.036 -2.318 9.565 359 H ASN 45 H ASN 45 -2.990 -0.701 6.229 360 HA ASN 45 HA ASN 45 -3.577 0.984 4.829 361 HB2 ASN 45 1HB ASN 45 -2.587 2.804 7.051 362 HB3 ASN 45 2HB ASN 45 -3.839 3.144 5.857 363 HD21 ASN 45 1HD2 ASN 45 -5.779 1.517 5.922 364 HD22 ASN 45 2HD2 ASN 45 -6.286 1.063 7.541 365 H HIS 46 H HIS 46 -1.730 0.169 3.428 366 HA HIS 46 HA HIS 46 0.746 1.555 3.248 367 HB2 HIS 46 1HB HIS 46 1.057 0.249 1.300 368 HB3 HIS 46 2HB HIS 46 0.121 -0.757 2.390 369 HD2 HIS 46 2HD HIS 46 0.075 0.871 -0.977 370 HE1 HIS 46 1HE HIS 46 -3.895 -0.594 -0.533 371 HE2 HIS 46 2HE HIS 46 -2.216 0.408 -2.185 372 H GLU 47 H GLU 47 -2.391 2.549 2.234 373 HA GLU 47 HA GLU 47 -1.972 4.328 0.096 374 HB2 GLU 47 1HB GLU 47 -3.700 4.803 2.559 375 HB3 GLU 47 2HB GLU 47 -3.935 5.515 0.971 376 HG2 GLU 47 1HG GLU 47 -4.279 2.577 1.711 377 HG3 GLU 47 2HG GLU 47 -5.561 3.755 1.504 378 H TYR 48 H TYR 48 -1.051 4.714 3.489 379 HA TYR 48 HA TYR 48 -0.487 7.579 3.369 380 HB2 TYR 48 1HB TYR 48 0.218 5.350 5.319 381 HB3 TYR 48 2HB TYR 48 0.746 7.003 5.527 382 HD1 TYR 48 1HD TYR 48 -0.490 8.441 6.845 383 HD2 TYR 48 2HD TYR 48 -2.477 5.066 5.031 384 HE1 TYR 48 1HE TYR 48 -2.525 8.916 8.176 385 HE2 TYR 48 2HE TYR 48 -4.522 5.559 6.330 386 HH TYR 48 HH TYR 48 -5.490 6.899 7.936 387 H PHE 49 H PHE 49 1.247 4.740 2.314 388 HA PHE 49 HA PHE 49 3.900 5.950 2.811 389 HB2 PHE 49 1HB PHE 49 2.948 3.134 2.292 390 HB3 PHE 49 2HB PHE 49 4.637 3.584 2.179 391 HD1 PHE 49 1HD PHE 49 5.990 4.032 4.104 392 HD2 PHE 49 2HD PHE 49 1.745 3.363 4.523 393 HE1 PHE 49 1HE PHE 49 6.221 4.014 6.574 394 HE2 PHE 49 2HE PHE 49 2.001 3.272 6.988 395 HZ PHE 49 HZ PHE 49 4.242 3.609 8.020 396 H ALA 50 H ALA 50 5.589 5.790 1.394 397 HA ALA 50 HA ALA 50 5.262 5.110 -1.417 398 HB1 ALA 50 1HB ALA 50 6.009 7.940 -0.544 399 HB2 ALA 50 2HB ALA 50 6.222 7.295 -2.187 400 HB3 ALA 50 3HB ALA 50 4.594 7.461 -1.518 401 H LEU 51 H LEU 51 7.289 4.882 -2.471 402 HA LEU 51 HA LEU 51 9.590 4.331 -0.693 403 HB2 LEU 51 1HB LEU 51 8.948 3.888 -3.617 404 HB3 LEU 51 2HB LEU 51 10.600 3.717 -3.014 405 HG LEU 51 HG LEU 51 8.237 2.179 -1.846 406 HD11 LEU 51 1HD1 LEU 51 8.504 1.590 -4.218 407 HD12 LEU 51 2HD1 LEU 51 9.018 0.259 -3.169 408 HD13 LEU 51 3HD1 LEU 51 10.234 1.285 -3.959 409 HD21 LEU 51 1HD2 LEU 51 9.983 0.691 -0.978 410 HD22 LEU 51 2HD2 LEU 51 10.235 2.317 -0.367 411 HD23 LEU 51 3HD2 LEU 51 11.253 1.710 -1.692 412 H GLN 52 H GLN 52 11.580 5.410 -0.930 413 HA GLN 52 HA GLN 52 11.674 7.872 -2.586 414 HB2 GLN 52 1HB GLN 52 10.847 8.570 -0.400 415 HB3 GLN 52 2HB GLN 52 12.182 7.744 0.412 416 HG2 GLN 52 1HG GLN 52 13.798 9.311 -0.613 417 HG3 GLN 52 2HG GLN 52 12.481 10.098 -1.495 418 HE21 GLN 52 1HE2 GLN 52 10.877 11.369 -0.221 419 HE22 GLN 52 2HE2 GLN 52 11.336 11.930 1.367 420 H HIS 53 H HIS 53 13.726 8.446 -3.283 421 HA HIS 53 HA HIS 53 15.672 6.341 -3.514 422 HB2 HIS 53 1HB HIS 53 15.545 9.223 -4.321 423 HB3 HIS 53 2HB HIS 53 17.129 8.462 -4.254 424 HD2 HIS 53 2HD HIS 53 14.002 8.559 -6.394 425 HE1 HIS 53 1HE HIS 53 16.544 5.626 -8.159 426 HE2 HIS 53 2HE HIS 53 14.425 7.008 -8.477 427 H ALA 54 H ALA 54 17.494 5.814 -2.500 428 HA ALA 54 HA ALA 54 18.556 7.604 -0.349 429 HB1 ALA 54 1HB ALA 54 19.306 5.581 0.797 430 HB2 ALA 54 2HB ALA 54 17.550 5.531 0.538 431 HB3 ALA 54 3HB ALA 54 18.634 4.574 -0.497 432 H ASP 55 H ASP 55 19.339 5.723 -3.250 433 HA ASP 55 HA ASP 55 22.204 6.250 -3.175 434 HB2 ASP 55 1HB ASP 55 20.236 5.377 -5.321 435 HB3 ASP 55 2HB ASP 55 21.920 5.714 -5.701 436 H SER 56 H SER 56 19.682 8.399 -3.521 437 HA SER 56 HA SER 56 21.388 10.493 -4.707 438 HB2 SER 56 1HB SER 56 20.118 9.326 -6.587 439 HB3 SER 56 2HB SER 56 18.626 9.910 -5.835 440 HG SER 56 HG SER 56 20.737 11.366 -7.050 441 H SER 57 H SER 57 19.432 12.448 -4.928 442 HA SER 57 HA SER 57 18.895 13.303 -2.202 443 HB2 SER 57 1HB SER 57 17.824 14.306 -4.868 444 HB3 SER 57 2HB SER 57 17.546 15.087 -3.305 445 HG SER 57 HG SER 57 20.043 14.689 -4.624 446 H ASN 58 H ASN 58 16.689 13.886 -1.467 447 HA ASN 58 HA ASN 58 15.193 11.495 -1.130 448 HB2 ASN 58 1HB ASN 58 14.697 14.342 -0.165 449 HB3 ASN 58 2HB ASN 58 13.849 12.934 0.430 450 HD21 ASN 58 1HD2 ASN 58 14.895 11.451 1.812 451 HD22 ASN 58 2HD2 ASN 58 16.460 11.841 2.534 452 H PHE 59 H PHE 59 14.876 11.892 -3.838 453 HA PHE 59 HA PHE 59 12.298 13.024 -4.525 454 HB2 PHE 59 1HB PHE 59 13.831 10.832 -5.961 455 HB3 PHE 59 2HB PHE 59 12.593 11.879 -6.634 456 HD1 PHE 59 1HD PHE 59 16.004 11.276 -6.618 457 HD2 PHE 59 2HD PHE 59 13.219 14.554 -6.278 458 HE1 PHE 59 1HE PHE 59 17.751 12.848 -7.421 459 HE2 PHE 59 2HE PHE 59 14.977 16.126 -7.065 460 HZ PHE 59 HZ PHE 59 17.242 15.273 -7.643 461 H TYR 60 H TYR 60 10.372 12.234 -3.870 462 HA TYR 60 HA TYR 60 9.921 9.502 -2.970 463 HB2 TYR 60 1HB TYR 60 8.006 11.711 -3.806 464 HB3 TYR 60 2HB TYR 60 7.502 10.143 -3.207 465 HD1 TYR 60 1HD TYR 60 8.745 13.449 -2.258 466 HD2 TYR 60 2HD TYR 60 7.964 9.440 -0.862 467 HE1 TYR 60 1HE TYR 60 8.717 14.269 0.096 468 HE2 TYR 60 2HE TYR 60 7.904 10.278 1.487 469 HH TYR 60 HH TYR 60 8.006 12.095 2.853 470 H ILE 61 H ILE 61 9.068 7.789 -4.096 471 HA ILE 61 HA ILE 61 9.319 7.841 -7.019 472 HB ILE 61 HB ILE 61 8.572 5.599 -5.125 473 HG12 ILE 61 1HG1 ILE 61 10.840 6.255 -4.650 474 HG13 ILE 61 2HG1 ILE 61 10.886 4.772 -5.573 475 HG21 ILE 61 1HG2 ILE 61 7.711 5.114 -7.347 476 HG22 ILE 61 2HG2 ILE 61 9.271 5.509 -8.090 477 HG23 ILE 61 3HG2 ILE 61 9.106 4.095 -7.025 478 HD11 ILE 61 1HD1 ILE 61 11.444 6.148 -7.638 479 HD12 ILE 61 2HD1 ILE 61 11.521 7.585 -6.592 480 HD13 ILE 61 3HD1 ILE 61 12.636 6.233 -6.333 481 H THR 62 H THR 62 7.789 7.769 -8.479 482 HA THR 62 HA THR 62 4.905 7.669 -7.846 483 HB THR 62 HB THR 62 4.410 9.704 -9.009 484 HG1 THR 62 1HG THR 62 6.119 11.032 -9.769 485 HG21 THR 62 1HG2 THR 62 6.716 10.454 -7.172 486 HG22 THR 62 2HG2 THR 62 5.078 10.039 -6.615 487 HG23 THR 62 3HG2 THR 62 5.333 11.458 -7.645 488 H GLU 63 H GLU 63 3.652 7.639 -10.013 489 HA GLU 63 HA GLU 63 4.776 5.665 -11.741 490 HB2 GLU 63 1HB GLU 63 2.405 7.515 -12.142 491 HB3 GLU 63 2HB GLU 63 2.791 6.160 -13.197 492 HG2 GLU 63 1HG GLU 63 2.105 5.963 -10.231 493 HG3 GLU 63 2HG GLU 63 1.021 5.608 -11.565 494 H LYS 64 H LYS 64 5.349 9.032 -11.720 495 HA LYS 64 HA LYS 64 6.525 9.074 -14.455 496 HB2 LYS 64 1HB LYS 64 5.272 11.046 -13.589 497 HB3 LYS 64 2HB LYS 64 6.437 11.193 -12.267 498 HG2 LYS 64 1HG LYS 64 8.264 11.549 -13.969 499 HG3 LYS 64 2HG LYS 64 7.053 11.414 -15.249 500 HD2 LYS 64 1HD LYS 64 7.517 13.740 -14.877 501 HD3 LYS 64 2HD LYS 64 5.877 13.416 -14.294 502 HE2 LYS 64 1HE LYS 64 6.724 13.302 -11.962 503 HE3 LYS 64 2HE LYS 64 8.377 13.535 -12.536 504 HZ1 LYS 64 1HZ LYS 64 7.711 15.734 -13.355 505 HZ2 LYS 64 2HZ LYS 64 7.408 15.619 -11.757 506 HZ3 LYS 64 3HZ LYS 64 6.179 15.518 -12.827 507 H ASN 65 H ASN 65 7.586 9.318 -11.039 508 HA ASN 65 HA ASN 65 10.374 9.715 -11.752 509 HB2 ASN 65 1HB ASN 65 8.983 9.233 -9.084 510 HB3 ASN 65 2HB ASN 65 10.690 9.610 -9.250 511 HD21 ASN 65 1HD2 ASN 65 9.328 11.188 -7.640 512 HD22 ASN 65 2HD2 ASN 65 9.102 12.758 -8.400 513 H ARG 66 H ARG 66 8.527 6.836 -11.094 514 HA ARG 66 HA ARG 66 10.531 5.087 -10.141 515 HB2 ARG 66 1HB ARG 66 9.087 3.299 -10.953 516 HB3 ARG 66 2HB ARG 66 8.158 4.556 -10.144 517 HG2 ARG 66 1HG ARG 66 7.506 5.511 -12.370 518 HG3 ARG 66 2HG ARG 66 8.400 4.241 -13.175 519 HD2 ARG 66 1HD ARG 66 5.978 3.935 -11.360 520 HD3 ARG 66 2HD ARG 66 6.013 3.712 -13.116 521 HE ARG 66 HE ARG 66 7.878 1.884 -12.109 522 HH11 ARG 66 1HH1 ARG 66 4.360 2.317 -11.893 523 HH12 ARG 66 2HH1 ARG 66 4.173 0.616 -11.474 524 HH21 ARG 66 1HH2 ARG 66 7.458 -0.155 -11.390 525 HH22 ARG 66 2HH2 ARG 66 5.804 -0.716 -11.269 526 H ASN 67 H ASN 67 10.410 6.455 -13.304 527 HA ASN 67 HA ASN 67 11.945 4.435 -14.681 528 HB2 ASN 67 1HB ASN 67 12.178 6.054 -16.410 529 HB3 ASN 67 2HB ASN 67 10.535 6.179 -15.801 530 HD21 ASN 67 1HD2 ASN 67 11.775 8.195 -17.350 531 HD22 ASN 67 2HD2 ASN 67 11.996 9.599 -16.313 532 H GLU 68 H GLU 68 12.890 6.866 -12.333 533 HA GLU 68 HA GLU 68 15.729 6.854 -12.999 534 HB2 GLU 68 1HB GLU 68 14.253 7.626 -10.452 535 HB3 GLU 68 2HB GLU 68 15.960 7.907 -10.747 536 HG2 GLU 68 1HG GLU 68 13.635 9.154 -12.259 537 HG3 GLU 68 2HG GLU 68 14.692 9.942 -11.098 538 H ILE 69 H ILE 69 13.711 4.505 -11.450 539 HA ILE 69 HA ILE 69 15.781 3.361 -9.735 540 HB ILE 69 HB ILE 69 13.128 2.189 -10.644 541 HG12 ILE 69 1HG1 ILE 69 13.802 3.632 -8.032 542 HG13 ILE 69 2HG1 ILE 69 12.869 4.338 -9.349 543 HG21 ILE 69 1HG2 ILE 69 14.933 1.412 -8.316 544 HG22 ILE 69 2HG2 ILE 69 13.416 0.617 -8.800 545 HG23 ILE 69 3HG2 ILE 69 14.823 0.514 -9.841 546 HD11 ILE 69 1HD1 ILE 69 11.333 3.593 -7.686 547 HD12 ILE 69 2HD1 ILE 69 11.156 2.538 -9.102 548 HD13 ILE 69 3HD1 ILE 69 12.023 1.971 -7.652 549 H LYS 70 H LYS 70 17.288 2.011 -10.317 550 HA LYS 70 HA LYS 70 17.051 0.347 -12.787 551 HB2 LYS 70 1HB LYS 70 19.453 0.549 -13.136 552 HB3 LYS 70 2HB LYS 70 18.682 2.133 -13.147 553 HG2 LYS 70 1HG LYS 70 19.475 2.550 -10.823 554 HG3 LYS 70 2HG LYS 70 20.185 0.932 -10.771 555 HD2 LYS 70 1HD LYS 70 21.931 2.524 -11.175 556 HD3 LYS 70 2HD LYS 70 21.713 1.554 -12.640 557 HE2 LYS 70 1HE LYS 70 20.379 3.390 -13.656 558 HE3 LYS 70 2HE LYS 70 20.540 4.339 -12.172 559 HZ1 LYS 70 1HZ LYS 70 22.951 4.383 -12.547 560 HZ2 LYS 70 2HZ LYS 70 22.178 5.006 -13.839 561 HZ3 LYS 70 3HZ LYS 70 22.800 3.501 -13.915 562 H ASN 71 H ASN 71 18.541 -1.618 -12.691 563 HA ASN 71 HA ASN 71 17.739 -3.211 -10.464 564 HB2 ASN 71 1HB ASN 71 18.277 -4.004 -12.811 565 HB3 ASN 71 2HB ASN 71 19.990 -3.779 -12.444 566 HD21 ASN 71 1HD2 ASN 71 20.975 -5.673 -11.741 567 HD22 ASN 71 2HD2 ASN 71 20.118 -6.968 -10.919 568 H GLY 72 H GLY 72 18.486 -3.300 -8.471 569 HA2 GLY 72 1HA GLY 72 20.078 -3.557 -6.759 570 HA3 GLY 72 2HA GLY 72 21.343 -2.884 -7.783 571 H THR 73 H THR 73 18.469 -0.928 -7.819 572 HA THR 73 HA THR 73 19.794 1.295 -6.556 573 HB THR 73 HB THR 73 16.831 0.920 -7.086 574 HG1 THR 73 1HG THR 73 18.048 0.836 -8.930 575 HG21 THR 73 1HG2 THR 73 18.427 3.469 -6.583 576 HG22 THR 73 2HG2 THR 73 17.166 2.799 -5.527 577 HG23 THR 73 3HG2 THR 73 16.738 3.392 -7.131 578 H ILE 74 H ILE 74 19.987 1.906 -4.468 579 HA ILE 74 HA ILE 74 18.413 0.541 -2.380 580 HB ILE 74 HB ILE 74 20.518 2.678 -2.028 581 HG12 ILE 74 1HG1 ILE 74 20.802 -0.366 -1.823 582 HG13 ILE 74 2HG1 ILE 74 21.430 0.610 -3.150 583 HG21 ILE 74 1HG2 ILE 74 20.533 1.922 0.312 584 HG22 ILE 74 2HG2 ILE 74 18.890 2.364 -0.119 585 HG23 ILE 74 3HG2 ILE 74 19.341 0.656 -0.057 586 HD11 ILE 74 1HD1 ILE 74 23.245 0.147 -1.705 587 HD12 ILE 74 2HD1 ILE 74 22.853 1.871 -1.558 588 HD13 ILE 74 3HD1 ILE 74 22.373 0.727 -0.276 589 H LEU 75 H LEU 75 16.677 1.284 -1.546 590 HA LEU 75 HA LEU 75 15.740 4.108 -1.847 591 HB2 LEU 75 1HB LEU 75 14.106 1.544 -1.995 592 HB3 LEU 75 2HB LEU 75 13.463 3.176 -2.116 593 HG LEU 75 HG LEU 75 15.300 1.852 -4.162 594 HD11 LEU 75 1HD1 LEU 75 13.019 0.888 -4.064 595 HD12 LEU 75 2HD1 LEU 75 13.314 1.774 -5.568 596 HD13 LEU 75 3HD1 LEU 75 12.335 2.516 -4.287 597 HD21 LEU 75 1HD2 LEU 75 15.616 4.266 -4.216 598 HD22 LEU 75 2HD2 LEU 75 13.856 4.545 -4.179 599 HD23 LEU 75 3HD2 LEU 75 14.624 3.798 -5.595 600 H ARG 76 H ARG 76 13.869 4.449 -0.243 601 HA ARG 76 HA ARG 76 13.960 2.724 2.173 602 HB2 ARG 76 1HB ARG 76 14.150 4.450 3.730 603 HB3 ARG 76 2HB ARG 76 15.435 4.754 2.558 604 HG2 ARG 76 1HG ARG 76 13.982 6.497 1.478 605 HG3 ARG 76 2HG ARG 76 12.749 6.197 2.721 606 HD2 ARG 76 1HD ARG 76 14.565 6.716 4.457 607 HD3 ARG 76 2HD ARG 76 15.543 7.309 3.115 608 HE ARG 76 HE ARG 76 13.907 9.046 2.684 609 HH11 ARG 76 1HH1 ARG 76 13.201 7.375 5.701 610 HH12 ARG 76 2HH1 ARG 76 12.195 8.682 6.261 611 HH21 ARG 76 1HH2 ARG 76 12.600 10.549 3.392 612 HH22 ARG 76 2HH2 ARG 76 11.795 10.430 4.945 613 H LEU 77 H LEU 77 12.073 2.623 3.353 614 HA LEU 77 HA LEU 77 9.610 3.473 1.924 615 HB2 LEU 77 1HB LEU 77 9.653 1.210 2.761 616 HB3 LEU 77 2HB LEU 77 10.082 1.750 4.383 617 HG LEU 77 HG LEU 77 7.819 2.920 4.431 618 HD11 LEU 77 1HD1 LEU 77 7.356 3.056 2.007 619 HD12 LEU 77 2HD1 LEU 77 6.150 1.997 2.752 620 HD13 LEU 77 3HD1 LEU 77 7.494 1.290 1.855 621 HD21 LEU 77 1HD2 LEU 77 6.557 0.891 4.844 622 HD22 LEU 77 2HD2 LEU 77 8.195 0.734 5.497 623 HD23 LEU 77 3HD2 LEU 77 7.766 -0.075 3.974 624 H THR 78 H THR 78 8.308 5.125 2.600 625 HA THR 78 HA THR 78 8.633 6.407 5.224 626 HB THR 78 HB THR 78 10.477 7.395 4.003 627 HG1 THR 78 1HG THR 78 9.406 8.803 5.320 628 HG21 THR 78 1HG2 THR 78 9.923 7.119 1.686 629 HG22 THR 78 2HG2 THR 78 10.071 8.851 2.004 630 HG23 THR 78 3HG2 THR 78 8.460 8.107 1.846 631 H THR 79 H THR 79 6.928 8.079 5.605 632 HA THR 79 HA THR 79 4.445 7.479 4.168 633 HB THR 79 HB THR 79 3.473 9.320 5.523 634 HG1 THR 79 1HG THR 79 5.416 10.425 6.018 635 HG21 THR 79 1HG2 THR 79 3.381 8.040 7.582 636 HG22 THR 79 2HG2 THR 79 4.797 7.078 7.084 637 HG23 THR 79 3HG2 THR 79 3.268 6.972 6.178 638 H SER 80 H SER 80 3.535 8.586 2.585 639 HA SER 80 HA SER 80 5.189 10.212 0.875 640 HB2 SER 80 1HB SER 80 3.322 10.099 -0.650 641 HB3 SER 80 2HB SER 80 3.462 8.533 0.144 642 HG SER 80 HG SER 80 1.724 9.004 1.406 643 HA PRO 81 HA PRO 81 3.688 14.291 2.060 644 HB2 PRO 81 1HB PRO 81 3.781 15.741 -0.237 645 HB3 PRO 81 2HB PRO 81 5.249 15.133 0.582 646 HG2 PRO 81 1HG PRO 81 3.787 13.894 -1.771 647 HG3 PRO 81 2HG PRO 81 5.544 14.215 -1.596 648 HD2 PRO 81 1HD PRO 81 4.450 11.774 -1.081 649 HD3 PRO 81 2HD PRO 81 5.828 12.399 -0.142 650 H ALA 82 H ALA 82 1.960 12.542 -0.487 651 HA ALA 82 HA ALA 82 -0.353 14.374 -0.444 652 HB1 ALA 82 1HB ALA 82 0.559 13.543 -2.572 653 HB2 ALA 82 2HB ALA 82 0.234 11.866 -2.074 654 HB3 ALA 82 3HB ALA 82 -1.111 12.997 -2.331 655 H GLN 83 H GLN 83 0.333 10.977 0.459 656 HA GLN 83 HA GLN 83 -0.868 9.376 1.493 657 HB2 GLN 83 1HB GLN 83 -1.668 11.683 3.299 658 HB3 GLN 83 2HB GLN 83 -1.645 9.956 3.715 659 HG2 GLN 83 1HG GLN 83 0.814 9.913 3.300 660 HG3 GLN 83 2HG GLN 83 0.759 11.634 2.907 661 HE21 GLN 83 1HE2 GLN 83 2.433 11.761 4.549 662 HE22 GLN 83 2HE2 GLN 83 1.936 11.900 6.244 663 H ASN 84 H ASN 84 -3.514 10.962 2.832 664 HA ASN 84 HA ASN 84 -5.334 9.607 0.908 665 HB2 ASN 84 1HB ASN 84 -5.835 10.461 3.784 666 HB3 ASN 84 2HB ASN 84 -6.876 9.453 2.782 667 HD21 ASN 84 1HD2 ASN 84 -3.852 7.726 4.810 668 HD22 ASN 84 2HD2 ASN 84 -4.255 9.420 5.007 669 H ALA 85 H ALA 85 -4.221 12.632 0.947 670 HA ALA 85 HA ALA 85 -6.562 14.253 1.286 671 HB1 ALA 85 1HB ALA 85 -5.178 16.023 0.298 672 HB2 ALA 85 2HB ALA 85 -4.268 15.107 1.516 673 HB3 ALA 85 3HB ALA 85 -3.976 14.821 -0.215 674 H GLN 86 H GLN 86 -8.227 14.556 0.036 675 HA GLN 86 HA GLN 86 -9.741 14.533 -1.602 676 HB2 GLN 86 1HB GLN 86 -7.442 14.919 -3.546 677 HB3 GLN 86 2HB GLN 86 -9.156 15.190 -3.863 678 HG2 GLN 86 1HG GLN 86 -9.185 16.920 -2.037 679 HG3 GLN 86 2HG GLN 86 -7.436 16.737 -1.878 680 HE21 GLN 86 1HE2 GLN 86 -8.179 19.247 -2.389 681 HE22 GLN 86 2HE2 GLN 86 -7.913 19.655 -4.080 682 H GLN 87 H GLN 87 -10.672 13.447 -3.520 683 HA GLN 87 HA GLN 87 -10.298 10.562 -3.421 684 HB2 GLN 87 1HB GLN 87 -12.495 11.587 -3.720 685 HB3 GLN 87 2HB GLN 87 -11.976 12.337 -5.238 686 HG2 GLN 87 1HG GLN 87 -11.716 10.138 -6.288 687 HG3 GLN 87 2HG GLN 87 -12.048 9.327 -4.753 688 HE21 GLN 87 1HE2 GLN 87 -13.620 8.344 -6.559 689 HE22 GLN 87 2HE2 GLN 87 -15.220 9.077 -6.551 690 H LEU 88 H LEU 88 -9.211 9.250 -4.835 691 HA LEU 88 HA LEU 88 -7.172 10.408 -6.552 692 HB2 LEU 88 1HB LEU 88 -8.007 7.561 -5.879 693 HB3 LEU 88 2HB LEU 88 -6.816 7.922 -7.118 694 HG LEU 88 HG LEU 88 -5.422 9.139 -5.433 695 HD11 LEU 88 1HD1 LEU 88 -5.771 8.561 -3.024 696 HD12 LEU 88 2HD1 LEU 88 -7.375 7.914 -3.434 697 HD13 LEU 88 3HD1 LEU 88 -7.007 9.645 -3.648 698 HD21 LEU 88 1HD2 LEU 88 -6.048 6.219 -4.837 699 HD22 LEU 88 2HD2 LEU 88 -4.546 7.075 -4.421 700 HD23 LEU 88 3HD2 LEU 88 -4.969 6.817 -6.118 701 H HIS 89 H HIS 89 -6.864 10.105 -8.762 702 HA HIS 89 HA HIS 89 -9.009 9.107 -10.501 703 HB2 HIS 89 1HB HIS 89 -8.922 11.341 -11.807 704 HB3 HIS 89 2HB HIS 89 -9.911 11.235 -10.362 705 HD2 HIS 89 2HD HIS 89 -9.538 12.959 -8.490 706 HE1 HIS 89 1HE HIS 89 -5.784 14.583 -9.691 707 HE2 HIS 89 2HE HIS 89 -7.692 14.770 -8.011 708 H GLU 90 H GLU 90 -8.351 8.632 -12.587 709 HA GLU 90 HA GLU 90 -5.470 8.126 -12.851 710 HB2 GLU 90 1HB GLU 90 -7.800 7.231 -14.597 711 HB3 GLU 90 2HB GLU 90 -6.123 6.676 -14.721 712 HG2 GLU 90 1HG GLU 90 -6.264 5.771 -12.401 713 HG3 GLU 90 2HG GLU 90 -7.958 6.260 -12.322 714 H ARG 91 H ARG 91 -6.093 10.807 -13.022 715 HA ARG 91 HA ARG 91 -6.527 11.896 -15.588 716 HB2 ARG 91 1HB ARG 91 -6.821 12.855 -13.289 717 HB3 ARG 91 2HB ARG 91 -5.074 13.077 -13.187 718 HG2 ARG 91 1HG ARG 91 -5.234 14.667 -15.150 719 HG3 ARG 91 2HG ARG 91 -6.987 14.409 -15.179 720 HD2 ARG 91 1HD ARG 91 -5.342 15.624 -12.920 721 HD3 ARG 91 2HD ARG 91 -6.404 16.501 -14.013 722 HE ARG 91 HE ARG 91 -7.227 14.566 -11.874 723 HH11 ARG 91 1HH1 ARG 91 -8.319 17.041 -14.113 724 HH12 ARG 91 2HH1 ARG 91 -9.871 17.170 -13.331 725 HH21 ARG 91 1HH2 ARG 91 -9.159 14.826 -10.909 726 HH22 ARG 91 2HH2 ARG 91 -10.339 15.929 -11.565 727 H ILE 92 H ILE 92 -3.684 10.522 -14.435 728 HA ILE 92 HA ILE 92 -1.738 11.881 -16.112 729 HB ILE 92 HB ILE 92 -0.217 10.100 -15.486 730 HG12 ILE 92 1HG1 ILE 92 -2.546 8.746 -14.050 731 HG13 ILE 92 2HG1 ILE 92 -1.813 8.181 -15.552 732 HG21 ILE 92 1HG2 ILE 92 -0.692 12.033 -13.964 733 HG22 ILE 92 2HG2 ILE 92 -1.804 10.996 -13.045 734 HG23 ILE 92 3HG2 ILE 92 -0.076 10.603 -13.134 735 HD11 ILE 92 1HD1 ILE 92 -0.921 6.886 -13.735 736 HD12 ILE 92 2HD1 ILE 92 0.376 7.918 -14.369 737 HD13 ILE 92 3HD1 ILE 92 -0.442 8.335 -12.841 738 H GLN 93 H GLN 93 -4.174 9.577 -16.901 739 HA GLN 93 HA GLN 93 -2.871 8.133 -18.975 740 HB2 GLN 93 1HB GLN 93 -5.052 7.421 -19.633 741 HB3 GLN 93 2HB GLN 93 -4.997 7.508 -17.874 742 HG2 GLN 93 1HG GLN 93 -6.103 9.843 -18.121 743 HG3 GLN 93 2HG GLN 93 -6.389 9.416 -19.804 744 HE21 GLN 93 1HE2 GLN 93 -8.547 10.013 -18.143 745 HE22 GLN 93 2HE2 GLN 93 -9.445 8.530 -17.848 746 H SER 94 H SER 94 -2.887 8.316 -21.226 747 HA SER 94 HA SER 94 -3.957 10.651 -22.610 748 HB2 SER 94 1HB SER 94 -1.848 11.586 -21.691 749 HB3 SER 94 2HB SER 94 -0.945 10.253 -22.428 750 HG SER 94 HG SER 94 -2.269 12.431 -23.655 751 H SER 95 H SER 95 -3.998 10.400 -24.858 752 HA SER 95 HA SER 95 -3.617 7.735 -26.008 753 HB2 SER 95 1HB SER 95 -4.229 10.392 -27.361 754 HB3 SER 95 2HB SER 95 -4.407 8.781 -28.076 755 HG SER 95 HG SER 95 -6.050 8.328 -26.605 756 H SER 96 H SER 96 -1.503 10.396 -25.476 757 HA SER 96 HA SER 96 0.143 10.153 -27.852 758 HB2 SER 96 1HB SER 96 1.636 11.689 -26.765 759 HB3 SER 96 2HB SER 96 -0.027 12.242 -26.551 760 HG SER 96 HG SER 96 0.013 11.585 -24.439 761 H MET 97 H MET 97 2.444 9.633 -27.825 762 HA MET 97 HA MET 97 3.486 7.797 -25.804 763 HB2 MET 97 1HB MET 97 3.957 5.970 -27.334 764 HB3 MET 97 2HB MET 97 2.221 6.256 -27.255 765 HG2 MET 97 1HG MET 97 2.328 7.492 -29.405 766 HG3 MET 97 2HG MET 97 4.071 7.206 -29.483 767 HE1 MET 97 1HE MET 97 2.036 6.548 -31.839 768 HE2 MET 97 2HE MET 97 3.793 6.280 -31.931 769 HE3 MET 97 3HE MET 97 2.669 4.977 -32.377 770 H ASP 98 H ASP 98 5.752 7.445 -25.984 771 HA ASP 98 HA ASP 98 7.264 9.174 -27.879 772 HB2 ASP 98 1HB ASP 98 8.531 10.154 -26.079 773 HB3 ASP 98 2HB ASP 98 6.820 10.473 -25.860 774 H ALA 99 H ALA 99 6.922 6.100 -27.192 775 HA ALA 99 HA ALA 99 9.710 5.405 -27.783 776 HB1 ALA 99 1HB ALA 99 9.880 3.815 -25.894 777 HB2 ALA 99 2HB ALA 99 9.676 5.474 -25.308 778 HB3 ALA 99 3HB ALA 99 8.298 4.352 -25.289 779 H LYS 100 H LYS 100 9.983 3.280 -28.547 780 HA LYS 100 HA LYS 100 7.539 1.726 -29.318 781 HB2 LYS 100 1HB LYS 100 9.883 2.418 -31.136 782 HB3 LYS 100 2HB LYS 100 8.529 1.355 -31.543 783 HG2 LYS 100 1HG LYS 100 6.949 3.266 -31.230 784 HG3 LYS 100 2HG LYS 100 8.342 4.335 -30.958 785 HD2 LYS 100 1HD LYS 100 9.215 3.760 -33.226 786 HD3 LYS 100 2HD LYS 100 7.836 2.684 -33.471 787 HE2 LYS 100 1HE LYS 100 7.324 4.691 -34.628 788 HE3 LYS 100 2HE LYS 100 6.288 4.641 -33.201 789 HZ1 LYS 100 1HZ LYS 100 8.801 6.222 -33.438 790 HZ2 LYS 100 2HZ LYS 100 7.822 6.214 -32.127 791 HZ3 LYS 100 3HZ LYS 100 7.296 6.838 -33.539 792 H LEU 101 H LEU 101 9.429 1.317 -27.144 793 HA LEU 101 HA LEU 101 11.287 -0.800 -27.876 794 HB2 LEU 101 1HB LEU 101 10.469 0.299 -25.160 795 HB3 LEU 101 2HB LEU 101 11.847 -0.752 -25.462 796 HG LEU 101 HG LEU 101 11.537 2.081 -26.550 797 HD11 LEU 101 1HD1 LEU 101 11.895 1.997 -24.114 798 HD12 LEU 101 2HD1 LEU 101 13.313 2.641 -24.957 799 HD13 LEU 101 3HD1 LEU 101 13.325 0.968 -24.353 800 HD21 LEU 101 1HD2 LEU 101 13.883 0.138 -26.699 801 HD22 LEU 101 2HD2 LEU 101 13.935 1.855 -27.158 802 HD23 LEU 101 3HD2 LEU 101 12.920 0.735 -28.070 803 H GLU 102 H GLU 102 7.985 -1.028 -27.319 804 HA GLU 102 HA GLU 102 7.788 -3.358 -25.669 805 HB2 GLU 102 1HB GLU 102 5.924 -2.317 -27.841 806 HB3 GLU 102 2HB GLU 102 5.515 -3.580 -26.685 807 HG2 GLU 102 1HG GLU 102 6.153 -0.669 -26.043 808 HG3 GLU 102 2HG GLU 102 4.567 -1.430 -26.009 809 H ALA 103 H ALA 103 7.811 -5.511 -26.046 810 HA ALA 103 HA ALA 103 9.131 -6.507 -28.413 811 HB1 ALA 103 1HB ALA 103 7.831 -7.976 -26.080 812 HB2 ALA 103 2HB ALA 103 8.937 -8.683 -27.278 813 HB3 ALA 103 3HB ALA 103 9.524 -7.434 -26.164 814 H LEU 104 H LEU 104 8.390 -7.853 -30.011 815 HA LEU 104 HA LEU 104 5.433 -8.041 -30.449 816 HB2 LEU 104 1HB LEU 104 7.669 -7.784 -32.487 817 HB3 LEU 104 2HB LEU 104 5.951 -7.898 -32.856 818 HG LEU 104 HG LEU 104 7.263 -5.590 -31.349 819 HD11 LEU 104 1HD1 LEU 104 7.898 -5.691 -33.727 820 HD12 LEU 104 2HD1 LEU 104 6.834 -4.314 -33.399 821 HD13 LEU 104 3HD1 LEU 104 6.183 -5.769 -34.190 822 HD21 LEU 104 1HD2 LEU 104 4.905 -5.850 -30.677 823 HD22 LEU 104 2HD2 LEU 104 4.411 -5.939 -32.383 824 HD23 LEU 104 3HD2 LEU 104 5.095 -4.438 -31.717 825 H LYS 105 H LYS 105 7.641 -10.014 -29.329 826 HA LYS 105 HA LYS 105 7.734 -12.247 -31.149 827 HB2 LYS 105 1HB LYS 105 8.224 -12.080 -28.144 828 HB3 LYS 105 2HB LYS 105 8.550 -13.501 -29.145 829 HG2 LYS 105 1HG LYS 105 10.178 -12.217 -30.495 830 HG3 LYS 105 2HG LYS 105 9.832 -10.760 -29.557 831 HD2 LYS 105 1HD LYS 105 11.893 -11.705 -28.769 832 HD3 LYS 105 2HD LYS 105 10.671 -11.869 -27.501 833 HE2 LYS 105 1HE LYS 105 10.326 -14.247 -28.138 834 HE3 LYS 105 2HE LYS 105 11.503 -14.074 -29.447 835 HZ1 LYS 105 1HZ LYS 105 12.115 -13.764 -26.553 836 HZ2 LYS 105 2HZ LYS 105 13.204 -13.610 -27.762 837 HZ3 LYS 105 3HZ LYS 105 12.511 -15.056 -27.467 838 H ASP 106 H ASP 106 6.500 -13.990 -31.400 839 HA ASP 106 HA ASP 106 3.879 -14.176 -30.059 840 HB2 ASP 106 1HB ASP 106 4.214 -14.451 -32.540 841 HB3 ASP 106 2HB ASP 106 5.088 -15.948 -32.211 842 H LEU 107 H LEU 107 3.182 -15.960 -28.884 843 HA LEU 107 HA LEU 107 5.273 -17.702 -27.626 844 HB2 LEU 107 1HB LEU 107 2.569 -16.784 -26.550 845 HB3 LEU 107 2HB LEU 107 3.599 -18.003 -25.821 846 HG LEU 107 HG LEU 107 5.453 -16.115 -25.839 847 HD11 LEU 107 1HD1 LEU 107 4.493 -13.876 -25.351 848 HD12 LEU 107 2HD1 LEU 107 2.877 -14.469 -25.791 849 HD13 LEU 107 3HD1 LEU 107 4.162 -14.355 -27.012 850 HD21 LEU 107 1HD2 LEU 107 3.113 -16.121 -23.891 851 HD22 LEU 107 2HD2 LEU 107 4.732 -15.451 -23.579 852 HD23 LEU 107 3HD2 LEU 107 4.533 -17.190 -23.832 853 H ALA 108 H ALA 108 2.511 -17.733 -29.731 854 HA ALA 108 HA ALA 108 1.784 -20.531 -29.261 855 HB1 ALA 108 1HB ALA 108 0.218 -20.143 -31.105 856 HB2 ALA 108 2HB ALA 108 0.132 -18.813 -29.937 857 HB3 ALA 108 3HB ALA 108 0.998 -18.593 -31.474 858 H SER 109 H SER 109 1.690 -22.032 -31.187 859 HA SER 109 HA SER 109 3.825 -21.786 -33.197 860 HB2 SER 109 1HB SER 109 5.041 -22.805 -31.356 861 HB3 SER 109 2HB SER 109 3.785 -24.043 -31.162 862 HG SER 109 HG SER 109 5.736 -24.602 -32.439 863 H LEU 110 H LEU 110 3.513 -23.027 -34.997 864 HA LEU 110 HA LEU 110 0.851 -24.221 -35.412 865 HB2 LEU 110 1HB LEU 110 1.530 -24.349 -37.774 866 HB3 LEU 110 2HB LEU 110 1.570 -22.740 -37.084 867 HG LEU 110 HG LEU 110 4.055 -22.839 -36.942 868 HD11 LEU 110 1HD1 LEU 110 3.724 -25.500 -38.394 869 HD12 LEU 110 2HD1 LEU 110 4.564 -25.209 -36.849 870 HD13 LEU 110 3HD1 LEU 110 5.235 -24.565 -38.341 871 HD21 LEU 110 1HD2 LEU 110 2.888 -21.845 -38.875 872 HD22 LEU 110 2HD2 LEU 110 2.895 -23.423 -39.696 873 HD23 LEU 110 3HD2 LEU 110 4.424 -22.582 -39.352 874 H SER 111 H SER 111 3.649 -25.456 -34.117 875 HA SER 111 HA SER 111 3.930 -27.952 -35.485 876 HB2 SER 111 1HB SER 111 5.651 -26.926 -34.017 877 HB3 SER 111 2HB SER 111 4.626 -27.262 -32.611 878 HG SER 111 HG SER 111 5.970 -29.076 -34.337 879 H ARG 112 H ARG 112 3.033 -29.931 -35.212 880 HA ARG 112 HA ARG 112 0.414 -30.123 -33.921 881 HB2 ARG 112 1HB ARG 112 2.065 -32.150 -35.491 882 HB3 ARG 112 2HB ARG 112 0.422 -32.428 -34.898 883 HG2 ARG 112 1HG ARG 112 -0.401 -30.500 -36.238 884 HG3 ARG 112 2HG ARG 112 1.234 -30.260 -36.888 885 HD2 ARG 112 1HD ARG 112 1.195 -32.543 -37.842 886 HD3 ARG 112 2HD ARG 112 -0.442 -32.785 -37.193 887 HE ARG 112 HE ARG 112 -0.444 -30.421 -38.780 888 HH11 ARG 112 1HH1 ARG 112 -0.188 -33.877 -39.297 889 HH12 ARG 112 2HH1 ARG 112 -0.857 -33.780 -40.904 890 HH21 ARG 112 1HH2 ARG 112 -1.290 -30.367 -40.834 891 HH22 ARG 112 2HH2 ARG 112 -1.463 -31.839 -41.745 892 H ASP 113 H ASP 113 -0.262 -31.674 -32.462 893 HA ASP 113 HA ASP 113 1.463 -32.199 -30.178 894 HB2 ASP 113 1HB ASP 113 -0.883 -31.586 -29.924 895 HB3 ASP 113 2HB ASP 113 -1.395 -32.992 -30.848 Start of MODEL 18 1 H1 GLY 0 1H GLY 0 -1.894 -11.758 -16.729 2 H2 GLY 0 2H GLY 0 -2.257 -11.231 -18.239 3 H3 GLY 0 3H GLY 0 -1.450 -10.253 -17.199 4 HA2 GLY 0 1HA GLY 0 -0.410 -12.771 -18.326 5 HA3 GLY 0 2HA GLY 0 0.061 -11.145 -18.854 6 H MET 1 H MET 1 1.874 -13.112 -17.905 7 HA MET 1 HA MET 1 2.623 -12.628 -15.153 8 HB2 MET 1 1HB MET 1 4.139 -13.862 -17.487 9 HB3 MET 1 2HB MET 1 4.730 -13.814 -15.824 10 HG2 MET 1 1HG MET 1 2.743 -15.093 -15.070 11 HG3 MET 1 2HG MET 1 2.156 -15.155 -16.731 12 HE1 MET 1 1HE MET 1 5.866 -15.738 -15.227 13 HE2 MET 1 2HE MET 1 4.702 -16.487 -14.106 14 HE3 MET 1 3HE MET 1 5.796 -17.504 -15.070 15 HA PRO 2 HA PRO 2 5.094 -8.919 -15.319 16 HB2 PRO 2 1HB PRO 2 7.228 -10.590 -13.983 17 HB3 PRO 2 2HB PRO 2 6.698 -8.924 -13.602 18 HG2 PRO 2 1HG PRO 2 5.775 -10.970 -12.127 19 HG3 PRO 2 2HG PRO 2 4.612 -9.731 -12.710 20 HD2 PRO 2 1HD PRO 2 5.198 -12.465 -13.884 21 HD3 PRO 2 2HD PRO 2 3.620 -11.682 -13.563 22 HA PRO 3 HA PRO 3 7.297 -9.949 -19.102 23 HB2 PRO 3 1HB PRO 3 7.851 -6.996 -19.241 24 HB3 PRO 3 2HB PRO 3 7.223 -8.086 -20.515 25 HG2 PRO 3 1HG PRO 3 5.532 -6.450 -19.189 26 HG3 PRO 3 2HG PRO 3 5.060 -8.156 -19.480 27 HD2 PRO 3 1HD PRO 3 6.259 -6.954 -16.959 28 HD3 PRO 3 2HD PRO 3 4.827 -8.013 -17.145 29 HA PRO 4 HA PRO 4 11.611 -10.033 -17.859 30 HB2 PRO 4 1HB PRO 4 12.881 -10.631 -20.214 31 HB3 PRO 4 2HB PRO 4 11.887 -11.809 -19.302 32 HG2 PRO 4 1HG PRO 4 11.040 -10.086 -21.648 33 HG3 PRO 4 2HG PRO 4 10.803 -11.851 -21.438 34 HD2 PRO 4 1HD PRO 4 8.840 -10.067 -20.854 35 HD3 PRO 4 2HD PRO 4 9.094 -11.514 -19.830 36 H ALA 5 H ALA 5 13.394 -8.740 -17.806 37 HA ALA 5 HA ALA 5 14.574 -6.877 -17.745 38 HB1 ALA 5 1HB ALA 5 13.974 -6.720 -20.710 39 HB2 ALA 5 2HB ALA 5 15.314 -5.913 -19.869 40 HB3 ALA 5 3HB ALA 5 15.252 -7.683 -19.943 41 H ASP 6 H ASP 6 11.362 -6.455 -17.977 42 HA ASP 6 HA ASP 6 11.444 -3.493 -17.688 43 HB2 ASP 6 1HB ASP 6 9.124 -5.450 -17.749 44 HB3 ASP 6 2HB ASP 6 8.956 -3.717 -17.482 45 H ILE 7 H ILE 7 12.576 -5.605 -15.750 46 HA ILE 7 HA ILE 7 11.198 -4.730 -13.250 47 HB ILE 7 HB ILE 7 12.258 -7.506 -13.851 48 HG12 ILE 7 1HG1 ILE 7 9.350 -6.589 -13.692 49 HG13 ILE 7 2HG1 ILE 7 10.202 -7.020 -15.168 50 HG21 ILE 7 1HG2 ILE 7 12.402 -6.907 -11.458 51 HG22 ILE 7 2HG2 ILE 7 10.679 -6.456 -11.459 52 HG23 ILE 7 3HG2 ILE 7 11.186 -8.139 -11.711 53 HD11 ILE 7 1HD1 ILE 7 10.576 -9.329 -14.219 54 HD12 ILE 7 2HD1 ILE 7 9.421 -8.889 -12.929 55 HD13 ILE 7 3HD1 ILE 7 8.911 -8.885 -14.626 56 H VAL 8 H VAL 8 12.459 -4.126 -11.599 57 HA VAL 8 HA VAL 8 15.424 -4.469 -11.792 58 HB VAL 8 HB VAL 8 15.615 -2.160 -10.837 59 HG11 VAL 8 1HG1 VAL 8 16.169 -2.658 -13.151 60 HG12 VAL 8 2HG1 VAL 8 14.473 -2.449 -13.642 61 HG13 VAL 8 3HG1 VAL 8 15.400 -1.066 -13.047 62 HG21 VAL 8 1HG2 VAL 8 13.828 -0.529 -11.338 63 HG22 VAL 8 2HG2 VAL 8 12.733 -1.840 -11.785 64 HG23 VAL 8 3HG2 VAL 8 13.327 -1.697 -10.114 65 H LYS 9 H LYS 9 16.377 -5.276 -10.078 66 HA LYS 9 HA LYS 9 14.913 -5.798 -7.603 67 HB2 LYS 9 1HB LYS 9 16.627 -7.336 -8.692 68 HB3 LYS 9 2HB LYS 9 17.880 -6.220 -8.122 69 HG2 LYS 9 1HG LYS 9 17.078 -6.586 -5.769 70 HG3 LYS 9 2HG LYS 9 15.834 -7.682 -6.388 71 HD2 LYS 9 1HD LYS 9 17.724 -9.114 -7.356 72 HD3 LYS 9 2HD LYS 9 18.855 -8.034 -6.530 73 HE2 LYS 9 1HE LYS 9 18.641 -9.785 -5.006 74 HE3 LYS 9 2HE LYS 9 17.530 -8.568 -4.367 75 HZ1 LYS 9 1HZ LYS 9 16.779 -10.950 -5.985 76 HZ2 LYS 9 2HZ LYS 9 15.698 -9.824 -5.518 77 HZ3 LYS 9 3HZ LYS 9 16.469 -10.740 -4.399 78 H VAL 10 H VAL 10 15.170 -4.865 -5.620 79 HA VAL 10 HA VAL 10 16.964 -2.510 -5.295 80 HB VAL 10 HB VAL 10 15.144 -1.178 -4.367 81 HG11 VAL 10 1HG1 VAL 10 14.095 -0.511 -6.404 82 HG12 VAL 10 2HG1 VAL 10 15.737 -1.036 -6.807 83 HG13 VAL 10 3HG1 VAL 10 14.354 -2.092 -7.156 84 HG21 VAL 10 1HG2 VAL 10 13.589 -2.980 -3.637 85 HG22 VAL 10 2HG2 VAL 10 12.790 -1.768 -4.637 86 HG23 VAL 10 3HG2 VAL 10 13.224 -3.337 -5.337 87 H ALA 11 H ALA 11 17.292 -1.833 -3.138 88 HA ALA 11 HA ALA 11 16.519 -3.788 -0.995 89 HB1 ALA 11 1HB ALA 11 19.070 -2.131 -1.185 90 HB2 ALA 11 2HB ALA 11 18.613 -3.230 0.137 91 HB3 ALA 11 3HB ALA 11 18.948 -3.878 -1.482 92 H ILE 12 H ILE 12 14.995 -2.899 0.269 93 HA ILE 12 HA ILE 12 14.717 0.055 0.363 94 HB ILE 12 HB ILE 12 12.740 -2.097 1.127 95 HG12 ILE 12 1HG1 ILE 12 12.628 -0.390 -1.391 96 HG13 ILE 12 2HG1 ILE 12 13.429 -1.959 -1.396 97 HG21 ILE 12 1HG2 ILE 12 12.323 0.897 0.643 98 HG22 ILE 12 2HG2 ILE 12 11.073 -0.269 1.108 99 HG23 ILE 12 3HG2 ILE 12 12.341 0.129 2.241 100 HD11 ILE 12 1HD1 ILE 12 11.401 -3.082 -0.669 101 HD12 ILE 12 2HD1 ILE 12 10.545 -1.521 -0.642 102 HD13 ILE 12 3HD1 ILE 12 11.151 -2.164 -2.176 103 H GLU 13 H GLU 13 15.213 1.161 2.089 104 HA GLU 13 HA GLU 13 15.876 -0.092 4.666 105 HB2 GLU 13 1HB GLU 13 15.914 2.805 3.733 106 HB3 GLU 13 2HB GLU 13 16.446 2.237 5.324 107 HG2 GLU 13 1HG GLU 13 18.101 0.729 4.164 108 HG3 GLU 13 2HG GLU 13 17.694 1.524 2.641 109 H TRP 14 H TRP 14 14.904 0.213 6.621 110 HA TRP 14 HA TRP 14 12.734 2.095 7.018 111 HB2 TRP 14 1HB TRP 14 11.458 0.210 6.200 112 HB3 TRP 14 2HB TRP 14 12.261 -0.886 7.324 113 HD1 TRP 14 HD TRP 14 11.185 -1.186 9.623 114 HE1 TRP 14 1HE TRP 14 9.248 -0.130 10.932 115 HE3 TRP 14 3HE TRP 14 10.170 2.732 6.508 116 HZ2 TRP 14 2HZ TRP 14 7.499 2.158 10.674 117 HZ3 TRP 14 3HZ TRP 14 8.411 4.384 7.095 118 HH2 TRP 14 HH TRP 14 7.064 4.103 9.168 119 HA PRO 15 HA PRO 15 15.074 2.310 10.749 120 HB2 PRO 15 1HB PRO 15 12.547 3.157 12.160 121 HB3 PRO 15 2HB PRO 15 14.166 3.926 12.174 122 HG2 PRO 15 1HG PRO 15 12.208 4.967 10.634 123 HG3 PRO 15 2HG PRO 15 13.854 4.771 9.941 124 HD2 PRO 15 1HD PRO 15 11.472 2.916 9.676 125 HD3 PRO 15 2HD PRO 15 12.509 3.577 8.381 126 H GLY 16 H GLY 16 15.727 1.016 12.408 127 HA2 GLY 16 1HA GLY 16 15.765 -0.657 13.982 128 HA3 GLY 16 2HA GLY 16 14.005 -0.575 14.075 129 H ALA 17 H ALA 17 15.177 -1.251 10.887 130 HA ALA 17 HA ALA 17 14.931 -4.201 11.224 131 HB1 ALA 17 1HB ALA 17 12.709 -3.277 10.604 132 HB2 ALA 17 2HB ALA 17 13.436 -2.520 9.165 133 HB3 ALA 17 3HB ALA 17 13.398 -4.286 9.318 134 H TYR 18 H TYR 18 15.850 -5.467 9.582 135 HA TYR 18 HA TYR 18 18.182 -4.422 8.230 136 HB2 TYR 18 1HB TYR 18 16.710 -7.053 7.879 137 HB3 TYR 18 2HB TYR 18 18.303 -6.680 7.238 138 HD1 TYR 18 1HD TYR 18 16.493 -8.004 10.052 139 HD2 TYR 18 2HD TYR 18 20.178 -6.054 8.925 140 HE1 TYR 18 1HE TYR 18 17.553 -8.790 12.159 141 HE2 TYR 18 2HE TYR 18 21.237 -6.847 11.041 142 HH TYR 18 HH TYR 18 19.451 -8.824 13.442 143 HA PRO 19 HA PRO 19 16.254 -2.925 4.546 144 HB2 PRO 19 1HB PRO 19 18.554 -4.123 3.004 145 HB3 PRO 19 2HB PRO 19 17.857 -2.475 2.898 146 HG2 PRO 19 1HG PRO 19 20.146 -2.890 4.283 147 HG3 PRO 19 2HG PRO 19 18.867 -1.839 4.974 148 HD2 PRO 19 1HD PRO 19 19.448 -4.750 5.606 149 HD3 PRO 19 2HD PRO 19 19.141 -3.381 6.720 150 H LYS 20 H LYS 20 14.628 -3.649 3.308 151 HA LYS 20 HA LYS 20 14.208 -6.547 2.880 152 HB2 LYS 20 1HB LYS 20 12.342 -5.301 3.676 153 HB3 LYS 20 2HB LYS 20 12.499 -4.079 2.403 154 HG2 LYS 20 1HG LYS 20 11.798 -5.642 0.706 155 HG3 LYS 20 2HG LYS 20 11.870 -7.005 1.847 156 HD2 LYS 20 1HD LYS 20 10.002 -6.075 3.134 157 HD3 LYS 20 2HD LYS 20 10.018 -4.602 2.164 158 HE2 LYS 20 1HE LYS 20 8.177 -6.016 1.463 159 HE3 LYS 20 2HE LYS 20 9.347 -5.841 0.155 160 HZ1 LYS 20 1HZ LYS 20 9.168 -8.215 1.944 161 HZ2 LYS 20 2HZ LYS 20 10.178 -8.064 0.668 162 HZ3 LYS 20 3HZ LYS 20 8.566 -8.139 0.431 163 H LEU 21 H LEU 21 15.209 -7.481 1.243 164 HA LEU 21 HA LEU 21 15.718 -6.137 -1.325 165 HB2 LEU 21 1HB LEU 21 16.069 -8.991 -0.342 166 HB3 LEU 21 2HB LEU 21 16.411 -8.503 -1.998 167 HG LEU 21 HG LEU 21 17.775 -7.191 0.393 168 HD11 LEU 21 1HD1 LEU 21 18.748 -9.523 -1.312 169 HD12 LEU 21 2HD1 LEU 21 18.284 -9.599 0.402 170 HD13 LEU 21 3HD1 LEU 21 19.699 -8.653 -0.086 171 HD21 LEU 21 1HD2 LEU 21 17.851 -5.940 -1.772 172 HD22 LEU 21 2HD2 LEU 21 18.551 -7.367 -2.557 173 HD23 LEU 21 3HD2 LEU 21 19.446 -6.523 -1.276 174 H MET 22 H MET 22 14.305 -6.028 -2.972 175 HA MET 22 HA MET 22 12.467 -8.211 -3.531 176 HB2 MET 22 1HB MET 22 10.411 -7.123 -3.345 177 HB3 MET 22 2HB MET 22 11.216 -6.773 -1.823 178 HG2 MET 22 1HG MET 22 11.762 -4.531 -2.563 179 HG3 MET 22 2HG MET 22 11.049 -4.822 -4.153 180 HE1 MET 22 1HE MET 22 8.576 -4.760 -4.746 181 HE2 MET 22 2HE MET 22 8.311 -6.265 -3.835 182 HE3 MET 22 3HE MET 22 7.244 -4.871 -3.575 183 H GLU 23 H GLU 23 10.983 -7.469 -5.513 184 HA GLU 23 HA GLU 23 12.712 -5.995 -7.449 185 HB2 GLU 23 1HB GLU 23 10.864 -8.351 -7.976 186 HB3 GLU 23 2HB GLU 23 11.715 -7.392 -9.176 187 HG2 GLU 23 1HG GLU 23 13.086 -9.245 -8.948 188 HG3 GLU 23 2HG GLU 23 13.897 -8.000 -8.012 189 H ILE 24 H ILE 24 11.899 -4.429 -8.597 190 HA ILE 24 HA ILE 24 9.020 -3.662 -8.301 191 HB ILE 24 HB ILE 24 11.539 -2.046 -8.782 192 HG12 ILE 24 1HG1 ILE 24 9.407 -2.111 -6.607 193 HG13 ILE 24 2HG1 ILE 24 11.080 -2.627 -6.465 194 HG21 ILE 24 1HG2 ILE 24 9.755 -1.179 -10.315 195 HG22 ILE 24 2HG2 ILE 24 8.696 -0.957 -8.903 196 HG23 ILE 24 3HG2 ILE 24 10.202 -0.041 -9.065 197 HD11 ILE 24 1HD1 ILE 24 10.854 -0.517 -5.364 198 HD12 ILE 24 2HD1 ILE 24 11.807 -0.258 -6.839 199 HD13 ILE 24 3HD1 ILE 24 10.095 0.232 -6.773 200 H ASP 25 H ASP 25 7.921 -4.536 -9.904 201 HA ASP 25 HA ASP 25 8.936 -4.695 -12.674 202 HB2 ASP 25 1HB ASP 25 7.454 -6.456 -11.831 203 HB3 ASP 25 2HB ASP 25 6.232 -5.262 -11.411 204 H GLN 26 H GLN 26 8.970 -2.941 -13.944 205 HA GLN 26 HA GLN 26 7.818 -0.450 -13.074 206 HB2 GLN 26 1HB GLN 26 9.087 -1.211 -15.714 207 HB3 GLN 26 2HB GLN 26 8.689 0.433 -15.229 208 HG2 GLN 26 1HG GLN 26 10.645 -1.340 -13.681 209 HG3 GLN 26 2HG GLN 26 11.100 -0.233 -14.960 210 HE21 GLN 26 1HE2 GLN 26 12.480 0.897 -13.419 211 HE22 GLN 26 2HE2 GLN 26 11.734 2.066 -12.338 212 H LYS 27 H LYS 27 6.368 -3.052 -14.788 213 HA LYS 27 HA LYS 27 4.269 -1.338 -16.003 214 HB2 LYS 27 1HB LYS 27 4.323 -4.367 -15.852 215 HB3 LYS 27 2HB LYS 27 3.377 -3.354 -16.926 216 HG2 LYS 27 1HG LYS 27 6.343 -3.968 -17.036 217 HG3 LYS 27 2HG LYS 27 5.104 -4.358 -18.210 218 HD2 LYS 27 1HD LYS 27 6.333 -1.638 -17.646 219 HD3 LYS 27 2HD LYS 27 6.526 -2.623 -19.084 220 HE2 LYS 27 1HE LYS 27 3.983 -1.200 -18.194 221 HE3 LYS 27 2HE LYS 27 5.072 -0.717 -19.492 222 HZ1 LYS 27 1HZ LYS 27 4.509 -2.910 -20.581 223 HZ2 LYS 27 2HZ LYS 27 3.281 -1.828 -20.493 224 HZ3 LYS 27 3HZ LYS 27 3.331 -3.114 -19.470 225 H LYS 28 H LYS 28 4.749 -2.990 -12.972 226 HA LYS 28 HA LYS 28 1.882 -3.202 -12.297 227 HB2 LYS 28 1HB LYS 28 4.471 -3.720 -10.803 228 HB3 LYS 28 2HB LYS 28 2.948 -3.568 -9.924 229 HG2 LYS 28 1HG LYS 28 1.947 -5.370 -11.307 230 HG3 LYS 28 2HG LYS 28 3.465 -5.528 -12.192 231 HD2 LYS 28 1HD LYS 28 3.362 -7.287 -10.564 232 HD3 LYS 28 2HD LYS 28 4.615 -6.154 -10.043 233 HE2 LYS 28 1HE LYS 28 3.032 -5.140 -8.418 234 HE3 LYS 28 2HE LYS 28 1.754 -6.230 -8.975 235 HZ1 LYS 28 1HZ LYS 28 3.117 -8.102 -8.194 236 HZ2 LYS 28 2HZ LYS 28 2.823 -7.072 -6.958 237 HZ3 LYS 28 3HZ LYS 28 4.282 -7.080 -7.656 238 HA PRO 29 HA PRO 29 1.391 0.926 -10.741 239 HB2 PRO 29 1HB PRO 29 -0.623 0.600 -8.896 240 HB3 PRO 29 2HB PRO 29 -0.889 0.535 -10.655 241 HG2 PRO 29 1HG PRO 29 -0.592 -1.754 -8.733 242 HG3 PRO 29 2HG PRO 29 -1.740 -1.591 -10.091 243 HD2 PRO 29 1HD PRO 29 0.591 -3.043 -10.215 244 HD3 PRO 29 2HD PRO 29 -0.151 -2.257 -11.632 245 H LEU 30 H LEU 30 2.325 2.155 -9.188 246 HA LEU 30 HA LEU 30 4.095 0.957 -7.306 247 HB2 LEU 30 1HB LEU 30 3.024 3.784 -7.624 248 HB3 LEU 30 2HB LEU 30 4.234 3.372 -6.412 249 HG LEU 30 HG LEU 30 4.672 2.760 -9.361 250 HD11 LEU 30 1HD1 LEU 30 5.399 5.274 -7.822 251 HD12 LEU 30 2HD1 LEU 30 4.277 5.138 -9.200 252 HD13 LEU 30 3HD1 LEU 30 6.010 4.845 -9.437 253 HD21 LEU 30 1HD2 LEU 30 7.059 2.816 -8.694 254 HD22 LEU 30 2HD2 LEU 30 6.175 1.581 -7.793 255 HD23 LEU 30 3HD2 LEU 30 6.579 3.120 -7.007 256 H SER 31 H SER 31 0.729 2.047 -6.847 257 HA SER 31 HA SER 31 0.675 1.916 -4.001 258 HB2 SER 31 1HB SER 31 -1.143 2.849 -5.422 259 HB3 SER 31 2HB SER 31 -1.552 1.207 -5.945 260 HG SER 31 HG SER 31 -1.834 2.421 -3.410 261 H ALA 32 H ALA 32 0.147 -0.726 -6.419 262 HA ALA 32 HA ALA 32 -0.317 -2.783 -4.447 263 HB1 ALA 32 1HB ALA 32 0.080 -4.325 -6.324 264 HB2 ALA 32 2HB ALA 32 -0.995 -3.005 -6.810 265 HB3 ALA 32 3HB ALA 32 0.714 -2.999 -7.317 266 H ILE 33 H ILE 33 2.651 -1.599 -6.065 267 HA ILE 33 HA ILE 33 4.427 -3.539 -4.887 268 HB ILE 33 HB ILE 33 4.978 -0.757 -5.977 269 HG12 ILE 33 1HG1 ILE 33 5.262 -3.537 -7.222 270 HG13 ILE 33 2HG1 ILE 33 3.998 -2.380 -7.610 271 HG21 ILE 33 1HG2 ILE 33 7.326 -1.387 -6.095 272 HG22 ILE 33 2HG2 ILE 33 6.805 -1.523 -4.431 273 HG23 ILE 33 3HG2 ILE 33 6.979 -2.993 -5.412 274 HD11 ILE 33 1HD1 ILE 33 5.795 -0.775 -8.395 275 HD12 ILE 33 2HD1 ILE 33 6.938 -2.140 -8.244 276 HD13 ILE 33 3HD1 ILE 33 5.577 -2.245 -9.361 277 H ILE 34 H ILE 34 3.548 -0.204 -3.807 278 HA ILE 34 HA ILE 34 5.123 -0.188 -1.434 279 HB ILE 34 HB ILE 34 2.581 1.260 -2.221 280 HG12 ILE 34 1HG1 ILE 34 5.357 2.451 -1.827 281 HG13 ILE 34 2HG1 ILE 34 4.950 1.661 -3.340 282 HG21 ILE 34 1HG2 ILE 34 2.591 1.221 0.234 283 HG22 ILE 34 2HG2 ILE 34 4.294 1.727 0.264 284 HG23 ILE 34 3HG2 ILE 34 3.023 2.823 -0.323 285 HD11 ILE 34 1HD1 ILE 34 4.591 4.070 -3.518 286 HD12 ILE 34 2HD1 ILE 34 3.055 3.205 -3.699 287 HD13 ILE 34 3HD1 ILE 34 3.423 4.027 -2.182 288 H LYS 35 H LYS 35 1.794 -1.440 -1.969 289 HA LYS 35 HA LYS 35 1.328 -2.263 0.734 290 HB2 LYS 35 1HB LYS 35 -0.346 -2.097 -1.174 291 HB3 LYS 35 2HB LYS 35 0.277 -3.634 -1.773 292 HG2 LYS 35 1HG LYS 35 -0.321 -4.706 0.399 293 HG3 LYS 35 2HG LYS 35 -0.923 -3.145 0.990 294 HD2 LYS 35 1HD LYS 35 -2.537 -3.120 -0.962 295 HD3 LYS 35 2HD LYS 35 -2.031 -4.765 -1.355 296 HE2 LYS 35 1HE LYS 35 -3.243 -3.859 1.304 297 HE3 LYS 35 2HE LYS 35 -4.155 -4.596 -0.015 298 HZ1 LYS 35 1HZ LYS 35 -1.961 -5.930 1.479 299 HZ2 LYS 35 2HZ LYS 35 -2.782 -6.598 0.230 300 HZ3 LYS 35 3HZ LYS 35 -3.550 -6.256 1.625 301 H GLU 36 H GLU 36 2.987 -3.982 -1.949 302 HA GLU 36 HA GLU 36 3.570 -6.354 -0.423 303 HB2 GLU 36 1HB GLU 36 4.605 -5.119 -2.994 304 HB3 GLU 36 2HB GLU 36 5.256 -6.605 -2.340 305 HG2 GLU 36 1HG GLU 36 3.178 -7.762 -2.564 306 HG3 GLU 36 2HG GLU 36 2.275 -6.270 -2.807 307 H VAL 37 H VAL 37 5.201 -3.185 -0.642 308 HA VAL 37 HA VAL 37 7.583 -4.048 0.774 309 HB VAL 37 HB VAL 37 6.434 -1.236 0.853 310 HG11 VAL 37 1HG1 VAL 37 8.174 -1.794 2.554 311 HG12 VAL 37 2HG1 VAL 37 9.254 -2.325 1.262 312 HG13 VAL 37 3HG1 VAL 37 8.752 -0.624 1.361 313 HG21 VAL 37 1HG2 VAL 37 8.457 -2.374 -1.102 314 HG22 VAL 37 2HG2 VAL 37 6.843 -1.794 -1.506 315 HG23 VAL 37 3HG2 VAL 37 8.033 -0.658 -0.908 316 H CYS 38 H CYS 38 4.634 -2.289 1.923 317 HA CYS 38 HA CYS 38 5.524 -2.221 4.617 318 HB2 CYS 38 1HB CYS 38 3.402 -1.207 5.094 319 HB3 CYS 38 2HB CYS 38 3.926 -0.659 3.523 320 HG CYS 38 HG CYS 38 1.587 -2.726 4.514 321 H ASP 39 H ASP 39 3.411 -4.614 2.998 322 HA ASP 39 HA ASP 39 2.700 -6.143 5.274 323 HB2 ASP 39 1HB ASP 39 1.758 -6.363 2.985 324 HB3 ASP 39 2HB ASP 39 3.284 -7.062 2.429 325 H GLY 40 H GLY 40 5.789 -6.008 3.545 326 HA2 GLY 40 1HA GLY 40 7.004 -8.411 4.553 327 HA3 GLY 40 2HA GLY 40 7.828 -6.971 3.937 328 H TRP 41 H TRP 41 6.477 -5.255 6.023 329 HA TRP 41 HA TRP 41 7.883 -6.141 8.509 330 HB2 TRP 41 1HB TRP 41 7.408 -3.362 7.398 331 HB3 TRP 41 2HB TRP 41 8.042 -3.692 9.004 332 HD1 TRP 41 HD TRP 41 10.299 -5.609 8.715 333 HE1 TRP 41 1HE TRP 41 12.418 -5.140 7.340 334 HE3 TRP 41 3HE TRP 41 8.444 -2.037 5.545 335 HZ2 TRP 41 2HZ TRP 41 13.229 -3.383 5.219 336 HZ3 TRP 41 3HZ TRP 41 9.941 -0.964 3.868 337 HH2 TRP 41 HH TRP 41 12.308 -1.622 3.700 338 H SER 42 H SER 42 4.951 -6.377 7.362 339 HA SER 42 HA SER 42 2.825 -6.299 8.055 340 HB2 SER 42 1HB SER 42 3.865 -7.839 9.719 341 HB3 SER 42 2HB SER 42 3.927 -6.496 10.871 342 HG SER 42 HG SER 42 1.667 -6.350 10.744 343 H LEU 43 H LEU 43 3.937 -3.709 7.568 344 HA LEU 43 HA LEU 43 2.851 -1.848 9.582 345 HB2 LEU 43 1HB LEU 43 4.246 -1.574 6.914 346 HB3 LEU 43 2HB LEU 43 3.628 -0.169 7.776 347 HG LEU 43 HG LEU 43 5.656 -2.141 8.940 348 HD11 LEU 43 1HD1 LEU 43 7.385 -0.558 8.331 349 HD12 LEU 43 2HD1 LEU 43 6.189 0.532 7.592 350 HD13 LEU 43 3HD1 LEU 43 6.518 -1.066 6.882 351 HD21 LEU 43 1HD2 LEU 43 4.907 0.707 9.742 352 HD22 LEU 43 2HD2 LEU 43 6.192 -0.277 10.471 353 HD23 LEU 43 3HD2 LEU 43 4.505 -0.770 10.647 354 H ALA 44 H ALA 44 0.838 -1.105 9.581 355 HA ALA 44 HA ALA 44 -1.103 -2.131 7.710 356 HB1 ALA 44 1HB ALA 44 -1.502 -1.961 10.140 357 HB2 ALA 44 2HB ALA 44 -1.385 -0.188 10.044 358 HB3 ALA 44 3HB ALA 44 -2.710 -1.042 9.227 359 H ASN 45 H ASN 45 -2.717 -0.915 6.656 360 HA ASN 45 HA ASN 45 -3.487 0.528 5.078 361 HB2 ASN 45 1HB ASN 45 -2.699 2.477 7.260 362 HB3 ASN 45 2HB ASN 45 -3.839 2.808 5.958 363 HD21 ASN 45 1HD2 ASN 45 -4.780 3.171 8.471 364 HD22 ASN 45 2HD2 ASN 45 -5.850 1.844 8.909 365 H HIS 46 H HIS 46 -1.891 -0.019 3.469 366 HA HIS 46 HA HIS 46 0.589 1.294 3.169 367 HB2 HIS 46 1HB HIS 46 0.708 0.122 1.125 368 HB3 HIS 46 2HB HIS 46 -0.220 -0.916 2.201 369 HD2 HIS 46 2HD HIS 46 -0.425 1.026 -1.005 370 HE1 HIS 46 1HE HIS 46 -4.268 -0.751 -0.557 371 HE2 HIS 46 2HE HIS 46 -2.730 0.506 -2.170 372 H GLU 47 H GLU 47 -2.581 2.442 2.376 373 HA GLU 47 HA GLU 47 -2.143 4.292 0.304 374 HB2 GLU 47 1HB GLU 47 -3.867 4.842 2.756 375 HB3 GLU 47 2HB GLU 47 -4.067 5.450 1.114 376 HG2 GLU 47 1HG GLU 47 -4.438 2.963 0.449 377 HG3 GLU 47 2HG GLU 47 -4.557 2.656 2.193 378 H TYR 48 H TYR 48 -1.214 4.520 3.730 379 HA TYR 48 HA TYR 48 -0.670 7.369 3.704 380 HB2 TYR 48 1HB TYR 48 0.478 5.236 5.527 381 HB3 TYR 48 2HB TYR 48 0.399 6.958 5.845 382 HD1 TYR 48 1HD TYR 48 -0.345 5.256 7.903 383 HD2 TYR 48 2HD TYR 48 -2.810 6.559 4.600 384 HE1 TYR 48 1HE TYR 48 -2.382 4.849 9.253 385 HE2 TYR 48 2HE TYR 48 -4.834 6.028 5.897 386 HH TYR 48 HH TYR 48 -5.667 5.546 8.013 387 H PHE 49 H PHE 49 1.102 4.603 2.555 388 HA PHE 49 HA PHE 49 3.736 5.847 3.008 389 HB2 PHE 49 1HB PHE 49 2.836 3.047 2.314 390 HB3 PHE 49 2HB PHE 49 4.517 3.549 2.252 391 HD1 PHE 49 1HD PHE 49 1.614 3.041 4.541 392 HD2 PHE 49 2HD PHE 49 5.830 3.917 4.234 393 HE1 PHE 49 1HE PHE 49 1.845 2.780 6.992 394 HE2 PHE 49 2HE PHE 49 6.043 3.686 6.695 395 HZ PHE 49 HZ PHE 49 4.063 3.099 8.078 396 H ALA 50 H ALA 50 5.363 5.874 1.536 397 HA ALA 50 HA ALA 50 4.855 5.451 -1.323 398 HB1 ALA 50 1HB ALA 50 5.935 7.623 -1.895 399 HB2 ALA 50 2HB ALA 50 4.381 7.838 -1.072 400 HB3 ALA 50 3HB ALA 50 5.903 8.075 -0.177 401 H LEU 51 H LEU 51 6.735 4.933 -2.460 402 HA LEU 51 HA LEU 51 9.104 4.165 -0.858 403 HB2 LEU 51 1HB LEU 51 8.195 3.767 -3.712 404 HB3 LEU 51 2HB LEU 51 9.917 3.681 -3.352 405 HG LEU 51 HG LEU 51 7.873 1.996 -1.852 406 HD11 LEU 51 1HD1 LEU 51 8.572 0.145 -3.346 407 HD12 LEU 51 2HD1 LEU 51 9.533 1.291 -4.307 408 HD13 LEU 51 3HD1 LEU 51 7.763 1.440 -4.243 409 HD21 LEU 51 1HD2 LEU 51 10.904 1.796 -2.211 410 HD22 LEU 51 2HD2 LEU 51 9.895 0.604 -1.381 411 HD23 LEU 51 3HD2 LEU 51 10.056 2.225 -0.708 412 H GLN 52 H GLN 52 11.072 5.125 -1.023 413 HA GLN 52 HA GLN 52 11.383 7.651 -2.556 414 HB2 GLN 52 1HB GLN 52 10.537 8.055 -0.199 415 HB3 GLN 52 2HB GLN 52 12.016 7.296 0.403 416 HG2 GLN 52 1HG GLN 52 13.339 9.114 -0.746 417 HG3 GLN 52 2HG GLN 52 11.812 9.820 -1.291 418 HE21 GLN 52 1HE2 GLN 52 11.737 11.748 -0.121 419 HE22 GLN 52 2HE2 GLN 52 11.756 11.773 1.636 420 H HIS 53 H HIS 53 13.595 8.195 -2.944 421 HA HIS 53 HA HIS 53 15.438 5.947 -3.171 422 HB2 HIS 53 1HB HIS 53 15.579 8.901 -3.747 423 HB3 HIS 53 2HB HIS 53 17.058 7.955 -3.645 424 HD2 HIS 53 2HD HIS 53 13.994 8.377 -5.917 425 HE1 HIS 53 1HE HIS 53 16.621 5.637 -7.860 426 HE2 HIS 53 2HE HIS 53 14.513 7.046 -8.129 427 H ALA 54 H ALA 54 17.267 5.488 -2.105 428 HA ALA 54 HA ALA 54 18.031 7.097 0.290 429 HB1 ALA 54 1HB ALA 54 18.806 4.991 1.325 430 HB2 ALA 54 2HB ALA 54 17.060 4.973 1.015 431 HB3 ALA 54 3HB ALA 54 18.157 4.085 -0.056 432 H ASP 55 H ASP 55 19.056 5.360 -2.641 433 HA ASP 55 HA ASP 55 21.875 5.901 -2.447 434 HB2 ASP 55 1HB ASP 55 20.820 4.355 -4.079 435 HB3 ASP 55 2HB ASP 55 20.034 5.718 -4.873 436 H SER 56 H SER 56 19.167 7.731 -3.904 437 HA SER 56 HA SER 56 20.673 10.301 -3.778 438 HB2 SER 56 1HB SER 56 19.368 9.926 -5.820 439 HB3 SER 56 2HB SER 56 17.891 9.719 -4.856 440 HG SER 56 HG SER 56 18.168 11.876 -5.657 441 H SER 57 H SER 57 19.732 12.082 -2.523 442 HA SER 57 HA SER 57 19.449 11.309 0.139 443 HB2 SER 57 1HB SER 57 18.691 13.992 -1.070 444 HB3 SER 57 2HB SER 57 19.076 13.672 0.633 445 HG SER 57 HG SER 57 20.889 14.479 -0.525 446 H ASN 58 H ASN 58 16.764 12.601 -1.910 447 HA ASN 58 HA ASN 58 14.785 11.436 -0.037 448 HB2 ASN 58 1HB ASN 58 13.823 13.607 0.563 449 HB3 ASN 58 2HB ASN 58 15.509 13.541 1.034 450 HD21 ASN 58 1HD2 ASN 58 13.247 14.890 -1.356 451 HD22 ASN 58 2HD2 ASN 58 14.313 16.211 -1.830 452 H PHE 59 H PHE 59 15.347 11.505 -3.180 453 HA PHE 59 HA PHE 59 12.984 12.719 -4.309 454 HB2 PHE 59 1HB PHE 59 14.710 10.453 -5.350 455 HB3 PHE 59 2HB PHE 59 13.504 11.323 -6.280 456 HD1 PHE 59 1HD PHE 59 15.998 10.961 -7.446 457 HD2 PHE 59 2HD PHE 59 14.847 14.036 -4.639 458 HE1 PHE 59 1HE PHE 59 17.764 12.463 -8.352 459 HE2 PHE 59 2HE PHE 59 16.615 15.513 -5.535 460 HZ PHE 59 HZ PHE 59 18.077 14.736 -7.390 461 H TYR 60 H TYR 60 10.893 12.087 -3.987 462 HA TYR 60 HA TYR 60 10.158 9.421 -3.103 463 HB2 TYR 60 1HB TYR 60 8.480 11.705 -4.183 464 HB3 TYR 60 2HB TYR 60 7.833 10.199 -3.553 465 HD1 TYR 60 1HD TYR 60 8.944 13.510 -2.672 466 HD2 TYR 60 2HD TYR 60 8.380 9.512 -1.140 467 HE1 TYR 60 1HE TYR 60 8.915 14.399 -0.342 468 HE2 TYR 60 2HE TYR 60 8.365 10.413 1.185 469 HH TYR 60 HH TYR 60 8.553 12.262 2.512 470 H ILE 61 H ILE 61 9.139 7.762 -4.257 471 HA ILE 61 HA ILE 61 9.676 7.663 -7.162 472 HB ILE 61 HB ILE 61 8.592 5.560 -5.267 473 HG12 ILE 61 1HG1 ILE 61 10.847 5.985 -4.590 474 HG13 ILE 61 2HG1 ILE 61 10.846 4.501 -5.517 475 HG21 ILE 61 1HG2 ILE 61 9.125 3.961 -7.080 476 HG22 ILE 61 2HG2 ILE 61 7.883 5.113 -7.560 477 HG23 ILE 61 3HG2 ILE 61 9.540 5.320 -8.150 478 HD11 ILE 61 1HD1 ILE 61 11.857 7.234 -6.412 479 HD12 ILE 61 2HD1 ILE 61 12.790 5.760 -6.114 480 HD13 ILE 61 3HD1 ILE 61 11.707 5.848 -7.513 481 H THR 62 H THR 62 8.214 7.875 -8.703 482 HA THR 62 HA THR 62 5.293 7.839 -8.207 483 HB THR 62 HB THR 62 4.926 9.998 -9.183 484 HG1 THR 62 1HG THR 62 6.755 11.325 -9.698 485 HG21 THR 62 1HG2 THR 62 7.164 10.474 -7.176 486 HG22 THR 62 2HG2 THR 62 5.484 10.075 -6.740 487 HG23 THR 62 3HG2 THR 62 5.842 11.573 -7.614 488 H GLU 63 H GLU 63 4.108 8.077 -10.397 489 HA GLU 63 HA GLU 63 5.192 6.357 -12.412 490 HB2 GLU 63 1HB GLU 63 2.984 8.444 -12.585 491 HB3 GLU 63 2HB GLU 63 3.342 7.229 -13.821 492 HG2 GLU 63 1HG GLU 63 2.910 5.421 -12.156 493 HG3 GLU 63 2HG GLU 63 2.489 6.640 -10.952 494 H LYS 64 H LYS 64 5.880 9.685 -11.800 495 HA LYS 64 HA LYS 64 7.053 10.154 -14.501 496 HB2 LYS 64 1HB LYS 64 6.712 12.035 -12.128 497 HB3 LYS 64 2HB LYS 64 7.277 12.488 -13.726 498 HG2 LYS 64 1HG LYS 64 4.484 11.532 -12.976 499 HG3 LYS 64 2HG LYS 64 4.965 13.159 -13.428 500 HD2 LYS 64 1HD LYS 64 4.944 10.724 -15.267 501 HD3 LYS 64 2HD LYS 64 3.776 12.047 -15.248 502 HE2 LYS 64 1HE LYS 64 5.591 13.657 -15.832 503 HE3 LYS 64 2HE LYS 64 6.745 12.320 -15.904 504 HZ1 LYS 64 1HZ LYS 64 5.412 11.359 -17.711 505 HZ2 LYS 64 2HZ LYS 64 5.891 12.867 -18.108 506 HZ3 LYS 64 3HZ LYS 64 4.351 12.601 -17.644 507 H ASN 65 H ASN 65 8.118 8.952 -11.520 508 HA ASN 65 HA ASN 65 10.952 9.711 -12.134 509 HB2 ASN 65 1HB ASN 65 9.783 11.074 -10.317 510 HB3 ASN 65 2HB ASN 65 9.706 9.597 -9.361 511 HD21 ASN 65 1HD2 ASN 65 11.181 10.106 -7.711 512 HD22 ASN 65 2HD2 ASN 65 12.861 10.510 -8.061 513 H ARG 66 H ARG 66 8.870 7.051 -11.381 514 HA ARG 66 HA ARG 66 10.667 5.254 -10.133 515 HB2 ARG 66 1HB ARG 66 9.170 3.513 -10.834 516 HB3 ARG 66 2HB ARG 66 8.230 4.919 -10.357 517 HG2 ARG 66 1HG ARG 66 8.014 5.534 -12.820 518 HG3 ARG 66 2HG ARG 66 8.814 4.008 -13.218 519 HD2 ARG 66 1HD ARG 66 6.187 4.332 -11.724 520 HD3 ARG 66 2HD ARG 66 6.384 3.826 -13.413 521 HE ARG 66 HE ARG 66 7.918 2.022 -11.924 522 HH11 ARG 66 1HH1 ARG 66 4.507 2.695 -12.438 523 HH12 ARG 66 2HH1 ARG 66 4.062 1.102 -11.842 524 HH21 ARG 66 1HH2 ARG 66 7.174 0.095 -11.031 525 HH22 ARG 66 2HH2 ARG 66 5.470 -0.279 -11.149 526 H ASN 67 H ASN 67 10.700 6.310 -13.422 527 HA ASN 67 HA ASN 67 12.135 4.182 -14.667 528 HB2 ASN 67 1HB ASN 67 12.531 5.795 -16.416 529 HB3 ASN 67 2HB ASN 67 10.911 6.100 -15.799 530 HD21 ASN 67 1HD2 ASN 67 13.993 7.483 -16.418 531 HD22 ASN 67 2HD2 ASN 67 13.848 8.915 -15.413 532 H GLU 68 H GLU 68 13.250 6.664 -12.413 533 HA GLU 68 HA GLU 68 16.069 6.497 -13.122 534 HB2 GLU 68 1HB GLU 68 14.738 7.461 -10.561 535 HB3 GLU 68 2HB GLU 68 16.409 7.738 -11.030 536 HG2 GLU 68 1HG GLU 68 13.919 8.867 -12.357 537 HG3 GLU 68 2HG GLU 68 15.131 9.738 -11.427 538 H ILE 69 H ILE 69 13.967 4.410 -11.294 539 HA ILE 69 HA ILE 69 15.984 3.220 -9.587 540 HB ILE 69 HB ILE 69 13.354 2.029 -10.532 541 HG12 ILE 69 1HG1 ILE 69 13.850 3.573 -7.941 542 HG13 ILE 69 2HG1 ILE 69 13.044 4.260 -9.348 543 HG21 ILE 69 1HG2 ILE 69 13.572 0.571 -8.582 544 HG22 ILE 69 2HG2 ILE 69 15.032 0.425 -9.540 545 HG23 ILE 69 3HG2 ILE 69 15.050 1.420 -8.072 546 HD11 ILE 69 1HD1 ILE 69 11.294 2.487 -9.227 547 HD12 ILE 69 2HD1 ILE 69 12.025 1.922 -7.704 548 HD13 ILE 69 3HD1 ILE 69 11.357 3.546 -7.808 549 H LYS 70 H LYS 70 17.368 1.690 -10.032 550 HA LYS 70 HA LYS 70 17.233 0.049 -12.500 551 HB2 LYS 70 1HB LYS 70 19.626 0.483 -12.921 552 HB3 LYS 70 2HB LYS 70 18.637 1.936 -13.032 553 HG2 LYS 70 1HG LYS 70 19.379 2.546 -10.673 554 HG3 LYS 70 2HG LYS 70 20.432 1.133 -10.696 555 HD2 LYS 70 1HD LYS 70 21.737 3.097 -11.208 556 HD3 LYS 70 2HD LYS 70 21.646 2.081 -12.641 557 HE2 LYS 70 1HE LYS 70 21.422 4.393 -13.288 558 HE3 LYS 70 2HE LYS 70 19.897 3.569 -13.603 559 HZ1 LYS 70 1HZ LYS 70 20.411 5.226 -11.183 560 HZ2 LYS 70 2HZ LYS 70 18.954 4.614 -11.637 561 HZ3 LYS 70 3HZ LYS 70 19.659 5.778 -12.521 562 H ASN 71 H ASN 71 18.817 -1.805 -12.439 563 HA ASN 71 HA ASN 71 18.198 -3.432 -10.221 564 HB2 ASN 71 1HB ASN 71 20.462 -3.753 -12.238 565 HB3 ASN 71 2HB ASN 71 19.822 -5.029 -11.201 566 HD21 ASN 71 1HD2 ASN 71 17.989 -6.172 -11.925 567 HD22 ASN 71 2HD2 ASN 71 17.124 -5.722 -13.387 568 H GLY 72 H GLY 72 18.842 -3.284 -8.193 569 HA2 GLY 72 1HA GLY 72 20.428 -3.502 -6.447 570 HA3 GLY 72 2HA GLY 72 21.690 -2.806 -7.459 571 H THR 73 H THR 73 18.727 -0.981 -7.562 572 HA THR 73 HA THR 73 19.940 1.321 -6.321 573 HB THR 73 HB THR 73 17.020 0.802 -6.954 574 HG1 THR 73 1HG THR 73 18.421 0.781 -8.702 575 HG21 THR 73 1HG2 THR 73 16.804 3.267 -7.009 576 HG22 THR 73 2HG2 THR 73 18.456 3.430 -6.375 577 HG23 THR 73 3HG2 THR 73 17.177 2.695 -5.383 578 H ILE 74 H ILE 74 19.991 2.045 -4.259 579 HA ILE 74 HA ILE 74 18.569 0.559 -2.152 580 HB ILE 74 HB ILE 74 20.232 3.027 -1.681 581 HG12 ILE 74 1HG1 ILE 74 21.320 0.176 -1.836 582 HG13 ILE 74 2HG1 ILE 74 21.648 1.450 -3.014 583 HG21 ILE 74 1HG2 ILE 74 18.716 1.961 0.123 584 HG22 ILE 74 2HG2 ILE 74 19.763 0.548 0.044 585 HG23 ILE 74 3HG2 ILE 74 20.416 2.118 0.559 586 HD11 ILE 74 1HD1 ILE 74 22.694 2.840 -1.255 587 HD12 ILE 74 2HD1 ILE 74 22.528 1.477 -0.115 588 HD13 ILE 74 3HD1 ILE 74 23.529 1.305 -1.566 589 H LEU 75 H LEU 75 16.653 1.106 -1.465 590 HA LEU 75 HA LEU 75 15.503 3.838 -1.887 591 HB2 LEU 75 1HB LEU 75 14.135 1.131 -2.046 592 HB3 LEU 75 2HB LEU 75 13.303 2.681 -2.119 593 HG LEU 75 HG LEU 75 15.230 1.569 -4.196 594 HD11 LEU 75 1HD1 LEU 75 13.227 1.528 -5.603 595 HD12 LEU 75 2HD1 LEU 75 12.247 2.194 -4.284 596 HD13 LEU 75 3HD1 LEU 75 12.956 0.573 -4.132 597 HD21 LEU 75 1HD2 LEU 75 14.518 3.541 -5.569 598 HD22 LEU 75 2HD2 LEU 75 15.498 3.995 -4.181 599 HD23 LEU 75 3HD2 LEU 75 13.732 4.230 -4.134 600 H ARG 76 H ARG 76 13.475 3.998 -0.413 601 HA ARG 76 HA ARG 76 13.780 2.865 2.312 602 HB2 ARG 76 1HB ARG 76 15.193 4.837 2.277 603 HB3 ARG 76 2HB ARG 76 13.923 5.808 1.522 604 HG2 ARG 76 1HG ARG 76 12.589 5.751 3.548 605 HG3 ARG 76 2HG ARG 76 13.655 4.529 4.266 606 HD2 ARG 76 1HD ARG 76 14.113 6.737 5.217 607 HD3 ARG 76 2HD ARG 76 15.509 6.136 4.326 608 HE ARG 76 HE ARG 76 13.553 8.151 3.215 609 HH11 ARG 76 1HH1 ARG 76 16.936 7.183 3.514 610 HH12 ARG 76 2HH1 ARG 76 17.461 8.597 2.635 611 HH21 ARG 76 1HH2 ARG 76 14.297 9.824 2.171 612 HH22 ARG 76 2HH2 ARG 76 16.014 10.053 1.848 613 H LEU 77 H LEU 77 11.875 2.601 3.331 614 HA LEU 77 HA LEU 77 9.356 3.430 1.988 615 HB2 LEU 77 1HB LEU 77 9.495 1.154 2.795 616 HB3 LEU 77 2HB LEU 77 9.944 1.694 4.413 617 HG LEU 77 HG LEU 77 7.651 2.767 4.554 618 HD11 LEU 77 1HD1 LEU 77 5.952 1.818 2.907 619 HD12 LEU 77 2HD1 LEU 77 7.295 1.207 1.939 620 HD13 LEU 77 3HD1 LEU 77 7.088 2.956 2.159 621 HD21 LEU 77 1HD2 LEU 77 7.687 -0.213 4.009 622 HD22 LEU 77 2HD2 LEU 77 6.472 0.676 4.955 623 HD23 LEU 77 3HD2 LEU 77 8.145 0.565 5.539 624 H THR 78 H THR 78 8.062 5.068 2.721 625 HA THR 78 HA THR 78 8.423 6.268 5.383 626 HB THR 78 HB THR 78 10.228 7.317 4.125 627 HG1 THR 78 1HG THR 78 9.304 8.684 5.527 628 HG21 THR 78 1HG2 THR 78 9.801 8.799 2.209 629 HG22 THR 78 2HG2 THR 78 8.116 8.234 2.132 630 HG23 THR 78 3HG2 THR 78 9.460 7.116 1.813 631 H THR 79 H THR 79 6.673 7.761 5.944 632 HA THR 79 HA THR 79 4.192 7.311 4.448 633 HB THR 79 HB THR 79 3.208 8.971 6.040 634 HG1 THR 79 1HG THR 79 5.131 9.987 6.707 635 HG21 THR 79 1HG2 THR 79 4.510 6.508 7.258 636 HG22 THR 79 2HG2 THR 79 2.981 6.544 6.353 637 HG23 THR 79 3HG2 THR 79 3.104 7.392 7.897 638 H SER 80 H SER 80 3.247 8.610 3.029 639 HA SER 80 HA SER 80 4.971 10.190 1.434 640 HB2 SER 80 1HB SER 80 3.101 10.370 -0.069 641 HB3 SER 80 2HB SER 80 3.090 8.747 0.627 642 HG SER 80 HG SER 80 1.361 9.249 1.843 643 HA PRO 81 HA PRO 81 3.949 14.446 2.551 644 HB2 PRO 81 1HB PRO 81 3.700 14.935 -0.419 645 HB3 PRO 81 2HB PRO 81 4.614 15.865 0.807 646 HG2 PRO 81 1HG PRO 81 5.905 14.187 -0.869 647 HG3 PRO 81 2HG PRO 81 6.323 14.196 0.880 648 HD2 PRO 81 1HD PRO 81 4.474 12.286 -0.594 649 HD3 PRO 81 2HD PRO 81 5.813 11.912 0.534 650 H ALA 82 H ALA 82 1.947 12.618 0.282 651 HA ALA 82 HA ALA 82 -0.248 14.433 0.084 652 HB1 ALA 82 1HB ALA 82 0.343 12.752 -1.618 653 HB2 ALA 82 2HB ALA 82 -0.045 11.440 -0.481 654 HB3 ALA 82 3HB ALA 82 -1.323 12.526 -1.059 655 H GLN 83 H GLN 83 0.260 11.597 2.254 656 HA GLN 83 HA GLN 83 -2.419 11.512 3.173 657 HB2 GLN 83 1HB GLN 83 -1.666 10.038 4.947 658 HB3 GLN 83 2HB GLN 83 -1.067 9.607 3.354 659 HG2 GLN 83 1HG GLN 83 0.667 9.248 4.975 660 HG3 GLN 83 2HG GLN 83 1.124 10.537 3.876 661 HE21 GLN 83 1HE2 GLN 83 2.330 12.017 5.002 662 HE22 GLN 83 2HE2 GLN 83 1.897 12.637 6.600 663 H ASN 84 H ASN 84 -0.160 13.924 3.936 664 HA ASN 84 HA ASN 84 -1.187 14.725 6.534 665 HB2 ASN 84 1HB ASN 84 0.231 16.345 4.373 666 HB3 ASN 84 2HB ASN 84 0.014 16.827 6.049 667 HD21 ASN 84 1HD2 ASN 84 2.184 15.448 3.924 668 HD22 ASN 84 2HD2 ASN 84 3.245 14.714 5.129 669 H ALA 85 H ALA 85 -2.617 14.794 3.435 670 HA ALA 85 HA ALA 85 -4.704 16.748 4.258 671 HB1 ALA 85 1HB ALA 85 -4.529 17.821 2.040 672 HB2 ALA 85 2HB ALA 85 -2.989 17.930 2.901 673 HB3 ALA 85 3HB ALA 85 -3.191 16.733 1.604 674 H GLN 86 H GLN 86 -6.392 16.722 2.287 675 HA GLN 86 HA GLN 86 -7.623 14.121 2.291 676 HB2 GLN 86 1HB GLN 86 -8.388 16.645 0.753 677 HB3 GLN 86 2HB GLN 86 -9.391 15.226 1.013 678 HG2 GLN 86 1HG GLN 86 -10.224 16.640 2.604 679 HG3 GLN 86 2HG GLN 86 -9.119 15.656 3.550 680 HE21 GLN 86 1HE2 GLN 86 -9.760 17.846 4.851 681 HE22 GLN 86 2HE2 GLN 86 -8.543 19.108 4.694 682 H GLN 87 H GLN 87 -5.013 14.700 0.571 683 HA GLN 87 HA GLN 87 -5.799 14.068 -2.157 684 HB2 GLN 87 1HB GLN 87 -3.061 14.291 -0.852 685 HB3 GLN 87 2HB GLN 87 -3.357 14.180 -2.585 686 HG2 GLN 87 1HG GLN 87 -4.251 16.465 -0.772 687 HG3 GLN 87 2HG GLN 87 -2.874 16.486 -1.857 688 HE21 GLN 87 1HE2 GLN 87 -4.920 18.438 -2.016 689 HE22 GLN 87 2HE2 GLN 87 -5.752 18.198 -3.547 690 H LEU 88 H LEU 88 -6.841 12.060 -0.715 691 HA LEU 88 HA LEU 88 -5.170 9.692 -0.519 692 HB2 LEU 88 1HB LEU 88 -8.175 10.173 -0.457 693 HB3 LEU 88 2HB LEU 88 -7.478 8.560 -0.452 694 HG LEU 88 HG LEU 88 -6.197 9.108 1.623 695 HD11 LEU 88 1HD1 LEU 88 -6.148 11.547 1.637 696 HD12 LEU 88 2HD1 LEU 88 -7.050 10.990 3.039 697 HD13 LEU 88 3HD1 LEU 88 -7.931 11.618 1.629 698 HD21 LEU 88 1HD2 LEU 88 -8.329 7.875 1.660 699 HD22 LEU 88 2HD2 LEU 88 -9.225 9.408 1.781 700 HD23 LEU 88 3HD2 LEU 88 -8.151 8.887 3.101 701 H HIS 89 H HIS 89 -5.186 7.849 -1.813 702 HA HIS 89 HA HIS 89 -4.990 8.415 -4.620 703 HB2 HIS 89 1HB HIS 89 -4.876 5.681 -3.315 704 HB3 HIS 89 2HB HIS 89 -4.132 6.186 -4.830 705 HD2 HIS 89 2HD HIS 89 -3.484 5.887 -1.162 706 HE1 HIS 89 1HE HIS 89 -0.297 8.351 -2.558 707 HE2 HIS 89 2HE HIS 89 -1.190 7.015 -0.564 708 H GLU 90 H GLU 90 -5.981 7.411 -6.389 709 HA GLU 90 HA GLU 90 -8.176 5.549 -6.079 710 HB2 GLU 90 1HB GLU 90 -9.878 6.768 -7.233 711 HB3 GLU 90 2HB GLU 90 -9.382 7.698 -5.822 712 HG2 GLU 90 1HG GLU 90 -7.907 9.086 -7.375 713 HG3 GLU 90 2HG GLU 90 -8.667 8.236 -8.727 714 H ARG 91 H ARG 91 -8.803 4.598 -8.164 715 HA ARG 91 HA ARG 91 -6.402 4.167 -9.753 716 HB2 ARG 91 1HB ARG 91 -7.927 2.379 -8.848 717 HB3 ARG 91 2HB ARG 91 -9.115 2.831 -10.077 718 HG2 ARG 91 1HG ARG 91 -7.454 2.288 -11.860 719 HG3 ARG 91 2HG ARG 91 -6.238 1.933 -10.618 720 HD2 ARG 91 1HD ARG 91 -7.663 0.106 -9.748 721 HD3 ARG 91 2HD ARG 91 -8.871 0.450 -11.004 722 HE ARG 91 HE ARG 91 -6.428 0.045 -12.341 723 HH11 ARG 91 1HH1 ARG 91 -8.550 -1.936 -10.378 724 HH12 ARG 91 2HH1 ARG 91 -8.041 -3.411 -11.153 725 HH21 ARG 91 1HH2 ARG 91 -5.827 -1.873 -13.290 726 HH22 ARG 91 2HH2 ARG 91 -6.541 -3.367 -12.761 727 H ILE 92 H ILE 92 -6.461 6.451 -10.476 728 HA ILE 92 HA ILE 92 -8.044 7.246 -12.766 729 HB ILE 92 HB ILE 92 -5.236 8.057 -11.921 730 HG12 ILE 92 1HG1 ILE 92 -6.799 8.631 -10.163 731 HG13 ILE 92 2HG1 ILE 92 -6.240 10.073 -10.976 732 HG21 ILE 92 1HG2 ILE 92 -7.099 9.333 -13.965 733 HG22 ILE 92 2HG2 ILE 92 -5.663 10.126 -13.283 734 HG23 ILE 92 3HG2 ILE 92 -5.477 8.659 -14.238 735 HD11 ILE 92 1HD1 ILE 92 -8.400 10.217 -12.230 736 HD12 ILE 92 2HD1 ILE 92 -8.973 8.770 -11.361 737 HD13 ILE 92 3HD1 ILE 92 -8.615 10.260 -10.476 738 H GLN 93 H GLN 93 -7.716 6.939 -14.956 739 HA GLN 93 HA GLN 93 -6.454 4.530 -15.786 740 HB2 GLN 93 1HB GLN 93 -8.390 5.401 -16.937 741 HB3 GLN 93 2HB GLN 93 -7.556 6.902 -17.323 742 HG2 GLN 93 1HG GLN 93 -7.738 5.518 -19.299 743 HG3 GLN 93 2HG GLN 93 -6.051 5.735 -18.872 744 HE21 GLN 93 1HE2 GLN 93 -6.069 3.794 -20.501 745 HE22 GLN 93 2HE2 GLN 93 -6.169 2.208 -19.746 746 H SER 94 H SER 94 -4.497 4.034 -16.505 747 HA SER 94 HA SER 94 -2.631 5.979 -17.643 748 HB2 SER 94 1HB SER 94 -2.273 6.255 -15.199 749 HB3 SER 94 2HB SER 94 -1.939 4.520 -15.059 750 HG SER 94 HG SER 94 -0.045 5.850 -15.237 751 H SER 95 H SER 95 -0.763 4.928 -18.600 752 HA SER 95 HA SER 95 -0.681 2.016 -18.821 753 HB2 SER 95 1HB SER 95 -1.019 1.899 -21.225 754 HB3 SER 95 2HB SER 95 -2.467 2.536 -20.439 755 HG SER 95 HG SER 95 -1.914 4.602 -21.122 756 H SER 96 H SER 96 1.121 1.256 -20.153 757 HA SER 96 HA SER 96 3.277 3.141 -20.810 758 HB2 SER 96 1HB SER 96 3.566 2.892 -18.387 759 HB3 SER 96 2HB SER 96 3.507 1.131 -18.539 760 HG SER 96 HG SER 96 5.527 2.929 -19.392 761 H MET 97 H MET 97 4.667 2.321 -22.307 762 HA MET 97 HA MET 97 4.057 -0.276 -23.538 763 HB2 MET 97 1HB MET 97 4.383 1.748 -24.906 764 HB3 MET 97 2HB MET 97 6.027 1.912 -24.294 765 HG2 MET 97 1HG MET 97 5.973 0.934 -26.543 766 HG3 MET 97 2HG MET 97 6.714 -0.139 -25.375 767 HE1 MET 97 1HE MET 97 3.663 0.563 -27.709 768 HE2 MET 97 2HE MET 97 2.557 -0.781 -27.353 769 HE3 MET 97 3HE MET 97 2.808 0.498 -26.148 770 H ASP 98 H ASP 98 5.549 -1.974 -23.830 771 HA ASP 98 HA ASP 98 7.351 -2.526 -21.632 772 HB2 ASP 98 1HB ASP 98 7.008 -3.943 -24.294 773 HB3 ASP 98 2HB ASP 98 7.918 -4.557 -22.919 774 H ALA 99 H ALA 99 9.616 -2.778 -21.635 775 HA ALA 99 HA ALA 99 11.123 -1.359 -23.784 776 HB1 ALA 99 1HB ALA 99 11.488 -1.067 -20.779 777 HB2 ALA 99 2HB ALA 99 12.427 -0.250 -22.046 778 HB3 ALA 99 3HB ALA 99 10.705 0.118 -21.848 779 H LYS 100 H LYS 100 10.681 -4.225 -23.389 780 HA LYS 100 HA LYS 100 12.789 -5.647 -22.246 781 HB2 LYS 100 1HB LYS 100 10.681 -6.606 -23.116 782 HB3 LYS 100 2HB LYS 100 11.225 -6.300 -24.772 783 HG2 LYS 100 1HG LYS 100 13.170 -7.864 -24.367 784 HG3 LYS 100 2HG LYS 100 12.551 -8.153 -22.738 785 HD2 LYS 100 1HD LYS 100 11.877 -9.987 -24.127 786 HD3 LYS 100 2HD LYS 100 10.425 -9.041 -23.756 787 HE2 LYS 100 1HE LYS 100 10.569 -7.946 -25.983 788 HE3 LYS 100 2HE LYS 100 12.055 -8.838 -26.334 789 HZ1 LYS 100 1HZ LYS 100 9.393 -10.079 -25.871 790 HZ2 LYS 100 2HZ LYS 100 10.766 -10.904 -26.200 791 HZ3 LYS 100 3HZ LYS 100 10.118 -9.916 -27.323 792 H LEU 101 H LEU 101 14.884 -5.758 -22.600 793 HA LEU 101 HA LEU 101 16.112 -5.689 -25.254 794 HB2 LEU 101 1HB LEU 101 15.822 -3.284 -24.708 795 HB3 LEU 101 2HB LEU 101 16.619 -3.533 -23.159 796 HG LEU 101 HG LEU 101 18.742 -4.080 -24.346 797 HD11 LEU 101 1HD1 LEU 101 18.944 -3.528 -26.757 798 HD12 LEU 101 2HD1 LEU 101 17.187 -3.282 -26.850 799 HD13 LEU 101 3HD1 LEU 101 17.854 -4.893 -26.513 800 HD21 LEU 101 1HD2 LEU 101 18.264 -1.786 -23.597 801 HD22 LEU 101 2HD2 LEU 101 17.481 -1.431 -25.153 802 HD23 LEU 101 3HD2 LEU 101 19.222 -1.791 -25.086 803 H GLU 102 H GLU 102 18.093 -6.762 -25.268 804 HA GLU 102 HA GLU 102 18.876 -8.297 -22.938 805 HB2 GLU 102 1HB GLU 102 19.105 -9.182 -25.214 806 HB3 GLU 102 2HB GLU 102 20.184 -7.860 -25.644 807 HG2 GLU 102 1HG GLU 102 21.524 -9.779 -25.348 808 HG3 GLU 102 2HG GLU 102 21.865 -8.726 -23.989 809 H ALA 103 H ALA 103 20.407 -7.880 -21.416 810 HA ALA 103 HA ALA 103 22.371 -5.712 -21.712 811 HB1 ALA 103 1HB ALA 103 20.306 -4.507 -21.070 812 HB2 ALA 103 2HB ALA 103 20.118 -5.567 -19.656 813 HB3 ALA 103 3HB ALA 103 21.502 -4.459 -19.763 814 H LEU 104 H LEU 104 23.864 -5.566 -19.974 815 HA LEU 104 HA LEU 104 24.048 -7.800 -18.029 816 HB2 LEU 104 1HB LEU 104 26.207 -6.984 -20.016 817 HB3 LEU 104 2HB LEU 104 26.492 -8.032 -18.634 818 HG LEU 104 HG LEU 104 24.595 -8.715 -20.926 819 HD11 LEU 104 1HD1 LEU 104 26.358 -10.265 -21.643 820 HD12 LEU 104 2HD1 LEU 104 27.428 -9.673 -20.351 821 HD13 LEU 104 3HD1 LEU 104 26.935 -8.592 -21.674 822 HD21 LEU 104 1HD2 LEU 104 24.024 -9.902 -18.828 823 HD22 LEU 104 2HD2 LEU 104 25.718 -10.410 -18.642 824 HD23 LEU 104 3HD2 LEU 104 24.739 -11.012 -19.999 825 H LYS 105 H LYS 105 25.616 -7.408 -16.345 826 HA LYS 105 HA LYS 105 26.558 -4.638 -15.900 827 HB2 LYS 105 1HB LYS 105 24.246 -4.730 -14.979 828 HB3 LYS 105 2HB LYS 105 24.708 -6.091 -13.960 829 HG2 LYS 105 1HG LYS 105 26.415 -4.588 -12.840 830 HG3 LYS 105 2HG LYS 105 25.821 -3.249 -13.838 831 HD2 LYS 105 1HD LYS 105 23.562 -3.523 -12.791 832 HD3 LYS 105 2HD LYS 105 24.202 -4.865 -11.813 833 HE2 LYS 105 1HE LYS 105 25.972 -3.245 -10.941 834 HE3 LYS 105 2HE LYS 105 25.102 -1.947 -11.765 835 HZ1 LYS 105 1HZ LYS 105 24.423 -2.098 -9.453 836 HZ2 LYS 105 2HZ LYS 105 24.001 -3.667 -9.601 837 HZ3 LYS 105 3HZ LYS 105 23.137 -2.514 -10.370 838 H ASP 106 H ASP 106 28.330 -4.487 -14.588 839 HA ASP 106 HA ASP 106 29.828 -6.942 -13.962 840 HB2 ASP 106 1HB ASP 106 31.656 -5.379 -13.443 841 HB3 ASP 106 2HB ASP 106 31.055 -5.263 -15.086 842 H LEU 107 H LEU 107 28.228 -7.633 -12.347 843 HA LEU 107 HA LEU 107 27.876 -6.286 -9.833 844 HB2 LEU 107 1HB LEU 107 27.669 -9.216 -10.656 845 HB3 LEU 107 2HB LEU 107 27.388 -8.688 -9.017 846 HG LEU 107 HG LEU 107 25.303 -9.041 -10.061 847 HD11 LEU 107 1HD1 LEU 107 25.676 -6.028 -9.840 848 HD12 LEU 107 2HD1 LEU 107 25.467 -7.141 -8.465 849 HD13 LEU 107 3HD1 LEU 107 24.171 -6.949 -9.656 850 HD21 LEU 107 1HD2 LEU 107 25.961 -6.924 -12.126 851 HD22 LEU 107 2HD2 LEU 107 24.450 -7.839 -11.968 852 HD23 LEU 107 3HD2 LEU 107 25.942 -8.678 -12.426 853 H ALA 108 H ALA 108 28.764 -6.721 -7.778 854 HA ALA 108 HA ALA 108 31.589 -6.863 -7.627 855 HB1 ALA 108 1HB ALA 108 29.481 -7.320 -5.466 856 HB2 ALA 108 2HB ALA 108 31.191 -6.927 -5.191 857 HB3 ALA 108 3HB ALA 108 30.132 -5.743 -5.978 858 H SER 109 H SER 109 29.278 -9.492 -7.726 859 HA SER 109 HA SER 109 30.812 -11.573 -6.502 860 HB2 SER 109 1HB SER 109 29.254 -13.057 -7.730 861 HB3 SER 109 2HB SER 109 28.421 -11.760 -6.857 862 HG SER 109 HG SER 109 27.651 -12.056 -9.024 863 H LEU 110 H LEU 110 31.214 -10.027 -9.631 864 HA LEU 110 HA LEU 110 32.780 -12.197 -10.817 865 HB2 LEU 110 1HB LEU 110 32.382 -9.254 -11.500 866 HB3 LEU 110 2HB LEU 110 33.513 -10.266 -12.360 867 HG LEU 110 HG LEU 110 31.519 -10.033 -13.632 868 HD11 LEU 110 1HD1 LEU 110 31.045 -12.333 -14.165 869 HD12 LEU 110 2HD1 LEU 110 31.617 -12.884 -12.581 870 HD13 LEU 110 3HD1 LEU 110 32.761 -12.183 -13.751 871 HD21 LEU 110 1HD2 LEU 110 29.855 -9.703 -11.833 872 HD22 LEU 110 2HD2 LEU 110 29.932 -11.441 -11.460 873 HD23 LEU 110 3HD2 LEU 110 29.350 -10.892 -13.041 874 H SER 111 H SER 111 33.492 -9.769 -8.430 875 HA SER 111 HA SER 111 36.314 -9.470 -8.964 876 HB2 SER 111 1HB SER 111 34.999 -7.851 -7.629 877 HB3 SER 111 2HB SER 111 34.817 -9.074 -6.351 878 HG SER 111 HG SER 111 36.597 -7.637 -5.993 879 H ARG 112 H ARG 112 38.029 -10.622 -8.304 880 HA ARG 112 HA ARG 112 37.893 -12.924 -6.494 881 HB2 ARG 112 1HB ARG 112 38.318 -14.607 -8.229 882 HB3 ARG 112 2HB ARG 112 36.770 -13.811 -8.473 883 HG2 ARG 112 1HG ARG 112 37.987 -12.289 -10.190 884 HG3 ARG 112 2HG ARG 112 39.334 -13.431 -10.065 885 HD2 ARG 112 1HD ARG 112 37.762 -15.279 -10.687 886 HD3 ARG 112 2HD ARG 112 36.462 -14.099 -10.868 887 HE ARG 112 HE ARG 112 38.671 -14.633 -12.707 888 HH11 ARG 112 1HH1 ARG 112 36.287 -12.142 -11.896 889 HH12 ARG 112 2HH1 ARG 112 36.396 -11.451 -13.491 890 HH21 ARG 112 1HH2 ARG 112 38.726 -13.662 -14.684 891 HH22 ARG 112 2HH2 ARG 112 37.726 -12.277 -15.010 892 H ASP 113 H ASP 113 39.885 -14.055 -6.270 893 HA ASP 113 HA ASP 113 42.247 -12.349 -6.274 894 HB2 ASP 113 1HB ASP 113 43.326 -14.294 -5.220 895 HB3 ASP 113 2HB ASP 113 41.871 -13.774 -4.393 Start of MODEL 19 1 H1 GLY 0 1H GLY 0 5.441 -16.641 -30.129 2 H2 GLY 0 2H GLY 0 4.410 -16.136 -28.962 3 H3 GLY 0 3H GLY 0 4.801 -17.723 -29.079 4 HA2 GLY 0 1HA GLY 0 5.973 -16.747 -27.229 5 HA3 GLY 0 2HA GLY 0 7.092 -17.272 -28.499 6 H MET 1 H MET 1 8.607 -15.772 -27.602 7 HA MET 1 HA MET 1 9.740 -13.848 -27.350 8 HB2 MET 1 1HB MET 1 9.812 -14.278 -29.788 9 HB3 MET 1 2HB MET 1 8.494 -13.127 -30.012 10 HG2 MET 1 1HG MET 1 10.598 -12.049 -30.487 11 HG3 MET 1 2HG MET 1 9.926 -11.331 -29.031 12 HE1 MET 1 1HE MET 1 12.178 -10.173 -28.410 13 HE2 MET 1 2HE MET 1 13.750 -10.999 -28.383 14 HE3 MET 1 3HE MET 1 12.877 -10.805 -29.919 15 HA PRO 2 HA PRO 2 6.246 -11.288 -25.636 16 HB2 PRO 2 1HB PRO 2 6.968 -11.340 -22.996 17 HB3 PRO 2 2HB PRO 2 6.037 -12.655 -23.775 18 HG2 PRO 2 1HG PRO 2 9.040 -12.518 -23.322 19 HG3 PRO 2 2HG PRO 2 7.921 -13.854 -22.894 20 HD2 PRO 2 1HD PRO 2 9.363 -13.888 -25.192 21 HD3 PRO 2 2HD PRO 2 7.683 -14.503 -25.153 22 HA PRO 3 HA PRO 3 8.559 -7.493 -25.455 23 HB2 PRO 3 1HB PRO 3 7.042 -6.772 -22.946 24 HB3 PRO 3 2HB PRO 3 7.314 -5.788 -24.419 25 HG2 PRO 3 1HG PRO 3 4.937 -7.022 -24.044 26 HG3 PRO 3 2HG PRO 3 5.719 -7.078 -25.660 27 HD2 PRO 3 1HD PRO 3 5.747 -9.194 -23.486 28 HD3 PRO 3 2HD PRO 3 5.423 -9.374 -25.237 29 HA PRO 4 HA PRO 4 12.037 -7.896 -22.795 30 HB2 PRO 4 1HB PRO 4 12.000 -4.901 -22.403 31 HB3 PRO 4 2HB PRO 4 13.379 -5.967 -22.825 32 HG2 PRO 4 1HG PRO 4 12.148 -4.538 -24.758 33 HG3 PRO 4 2HG PRO 4 12.544 -6.263 -25.057 34 HD2 PRO 4 1HD PRO 4 9.885 -5.063 -24.226 35 HD3 PRO 4 2HD PRO 4 10.240 -6.273 -25.496 36 H ALA 5 H ALA 5 12.484 -8.383 -20.723 37 HA ALA 5 HA ALA 5 10.523 -7.838 -18.633 38 HB1 ALA 5 1HB ALA 5 13.094 -9.474 -18.641 39 HB2 ALA 5 2HB ALA 5 11.862 -9.461 -17.358 40 HB3 ALA 5 3HB ALA 5 11.453 -10.079 -18.969 41 H ASP 6 H ASP 6 10.917 -5.483 -18.690 42 HA ASP 6 HA ASP 6 13.337 -4.332 -17.615 43 HB2 ASP 6 1HB ASP 6 10.578 -3.131 -18.002 44 HB3 ASP 6 2HB ASP 6 12.041 -2.222 -17.620 45 H ILE 7 H ILE 7 12.438 -6.316 -15.822 46 HA ILE 7 HA ILE 7 11.378 -4.992 -13.404 47 HB ILE 7 HB ILE 7 12.373 -7.836 -13.806 48 HG12 ILE 7 1HG1 ILE 7 9.544 -6.704 -13.948 49 HG13 ILE 7 2HG1 ILE 7 10.454 -7.422 -15.272 50 HG21 ILE 7 1HG2 ILE 7 11.195 -8.326 -11.697 51 HG22 ILE 7 2HG2 ILE 7 12.412 -7.102 -11.436 52 HG23 ILE 7 3HG2 ILE 7 10.701 -6.626 -11.557 53 HD11 ILE 7 1HD1 ILE 7 8.858 -9.027 -14.563 54 HD12 ILE 7 2HD1 ILE 7 10.452 -9.612 -14.042 55 HD13 ILE 7 3HD1 ILE 7 9.327 -8.880 -12.865 56 H VAL 8 H VAL 8 12.601 -4.394 -11.657 57 HA VAL 8 HA VAL 8 15.570 -4.784 -11.760 58 HB VAL 8 HB VAL 8 15.765 -2.474 -10.829 59 HG11 VAL 8 1HG1 VAL 8 15.657 -1.379 -13.013 60 HG12 VAL 8 2HG1 VAL 8 16.277 -3.030 -13.191 61 HG13 VAL 8 3HG1 VAL 8 14.598 -2.658 -13.635 62 HG21 VAL 8 1HG2 VAL 8 12.900 -2.110 -11.793 63 HG22 VAL 8 2HG2 VAL 8 13.485 -1.984 -10.118 64 HG23 VAL 8 3HG2 VAL 8 14.014 -0.818 -11.335 65 H LYS 9 H LYS 9 16.537 -5.471 -9.975 66 HA LYS 9 HA LYS 9 15.085 -5.971 -7.493 67 HB2 LYS 9 1HB LYS 9 18.050 -6.031 -8.181 68 HB3 LYS 9 2HB LYS 9 17.401 -6.470 -6.598 69 HG2 LYS 9 1HG LYS 9 16.155 -8.319 -7.484 70 HG3 LYS 9 2HG LYS 9 16.479 -7.818 -9.147 71 HD2 LYS 9 1HD LYS 9 18.954 -8.164 -8.680 72 HD3 LYS 9 2HD LYS 9 18.517 -8.852 -7.116 73 HE2 LYS 9 1HE LYS 9 17.689 -9.917 -9.861 74 HE3 LYS 9 2HE LYS 9 18.997 -10.553 -8.862 75 HZ1 LYS 9 1HZ LYS 9 17.256 -11.034 -7.140 76 HZ2 LYS 9 2HZ LYS 9 17.087 -11.901 -8.511 77 HZ3 LYS 9 3HZ LYS 9 16.092 -10.651 -8.246 78 H VAL 10 H VAL 10 15.225 -4.968 -5.597 79 HA VAL 10 HA VAL 10 16.786 -2.467 -5.264 80 HB VAL 10 HB VAL 10 14.901 -1.206 -4.367 81 HG11 VAL 10 1HG1 VAL 10 14.249 -2.095 -7.203 82 HG12 VAL 10 2HG1 VAL 10 13.888 -0.540 -6.429 83 HG13 VAL 10 3HG1 VAL 10 15.564 -0.984 -6.774 84 HG21 VAL 10 1HG2 VAL 10 12.574 -1.856 -4.744 85 HG22 VAL 10 2HG2 VAL 10 13.087 -3.417 -5.415 86 HG23 VAL 10 3HG2 VAL 10 13.375 -3.035 -3.704 87 H ALA 11 H ALA 11 17.159 -1.837 -3.137 88 HA ALA 11 HA ALA 11 16.443 -3.820 -0.996 89 HB1 ALA 11 1HB ALA 11 18.978 -2.147 -1.234 90 HB2 ALA 11 2HB ALA 11 18.567 -3.272 0.080 91 HB3 ALA 11 3HB ALA 11 18.858 -3.886 -1.562 92 H ILE 12 H ILE 12 14.966 -2.957 0.345 93 HA ILE 12 HA ILE 12 14.690 -0.004 0.461 94 HB ILE 12 HB ILE 12 12.688 -2.144 1.170 95 HG12 ILE 12 1HG1 ILE 12 12.657 -0.403 -1.327 96 HG13 ILE 12 2HG1 ILE 12 13.406 -1.998 -1.336 97 HG21 ILE 12 1HG2 ILE 12 11.050 -0.285 1.161 98 HG22 ILE 12 2HG2 ILE 12 12.312 0.069 2.318 99 HG23 ILE 12 3HG2 ILE 12 12.332 0.867 0.737 100 HD11 ILE 12 1HD1 ILE 12 11.335 -3.064 -0.658 101 HD12 ILE 12 2HD1 ILE 12 10.526 -1.477 -0.626 102 HD13 ILE 12 3HD1 ILE 12 11.139 -2.122 -2.157 103 H GLU 13 H GLU 13 15.227 1.068 2.178 104 HA GLU 13 HA GLU 13 15.841 -0.192 4.766 105 HB2 GLU 13 1HB GLU 13 15.914 2.695 3.815 106 HB3 GLU 13 2HB GLU 13 16.390 2.153 5.431 107 HG2 GLU 13 1HG GLU 13 18.108 0.663 4.367 108 HG3 GLU 13 2HG GLU 13 17.717 1.387 2.800 109 H TRP 14 H TRP 14 14.794 0.048 6.682 110 HA TRP 14 HA TRP 14 12.693 1.997 7.095 111 HB2 TRP 14 1HB TRP 14 11.382 0.193 6.121 112 HB3 TRP 14 2HB TRP 14 12.076 -0.968 7.249 113 HD1 TRP 14 HD TRP 14 10.751 -1.397 9.363 114 HE1 TRP 14 1HE TRP 14 8.778 -0.316 10.601 115 HE3 TRP 14 3HE TRP 14 10.301 2.859 6.573 116 HZ2 TRP 14 2HZ TRP 14 7.232 2.123 10.428 117 HZ3 TRP 14 3HZ TRP 14 8.610 4.578 7.161 118 HH2 TRP 14 HH TRP 14 7.073 4.224 9.082 119 HA PRO 15 HA PRO 15 14.906 1.943 10.882 120 HB2 PRO 15 1HB PRO 15 12.383 2.782 12.303 121 HB3 PRO 15 2HB PRO 15 14.018 3.516 12.366 122 HG2 PRO 15 1HG PRO 15 12.096 4.666 10.855 123 HG3 PRO 15 2HG PRO 15 13.744 4.463 10.167 124 HD2 PRO 15 1HD PRO 15 11.330 2.664 9.817 125 HD3 PRO 15 2HD PRO 15 12.374 3.367 8.550 126 H GLY 16 H GLY 16 15.460 0.659 12.609 127 HA2 GLY 16 1HA GLY 16 15.417 -1.047 14.147 128 HA3 GLY 16 2HA GLY 16 13.655 -1.019 14.094 129 H ALA 17 H ALA 17 15.077 -1.576 10.994 130 HA ALA 17 HA ALA 17 14.996 -4.536 11.238 131 HB1 ALA 17 1HB ALA 17 13.467 -4.681 9.324 132 HB2 ALA 17 2HB ALA 17 12.705 -3.783 10.651 133 HB3 ALA 17 3HB ALA 17 13.357 -2.910 9.243 134 H TYR 18 H TYR 18 15.962 -5.678 9.518 135 HA TYR 18 HA TYR 18 18.214 -4.425 8.197 136 HB2 TYR 18 1HB TYR 18 16.929 -7.145 7.782 137 HB3 TYR 18 2HB TYR 18 18.487 -6.644 7.139 138 HD1 TYR 18 1HD TYR 18 16.801 -8.165 9.930 139 HD2 TYR 18 2HD TYR 18 20.329 -5.933 8.827 140 HE1 TYR 18 1HE TYR 18 17.932 -8.927 12.010 141 HE2 TYR 18 2HE TYR 18 21.461 -6.702 10.914 142 HH TYR 18 HH TYR 18 19.840 -8.857 13.278 143 HA PRO 19 HA PRO 19 16.251 -2.987 4.521 144 HB2 PRO 19 1HB PRO 19 18.511 -4.202 2.933 145 HB3 PRO 19 2HB PRO 19 17.816 -2.552 2.836 146 HG2 PRO 19 1HG PRO 19 20.134 -2.967 4.171 147 HG3 PRO 19 2HG PRO 19 18.872 -1.911 4.889 148 HD2 PRO 19 1HD PRO 19 19.459 -4.824 5.513 149 HD3 PRO 19 2HD PRO 19 19.183 -3.454 6.632 150 H LYS 20 H LYS 20 14.572 -3.720 3.365 151 HA LYS 20 HA LYS 20 14.132 -6.603 2.903 152 HB2 LYS 20 1HB LYS 20 12.275 -5.332 3.692 153 HB3 LYS 20 2HB LYS 20 12.453 -4.117 2.416 154 HG2 LYS 20 1HG LYS 20 11.760 -5.700 0.718 155 HG3 LYS 20 2HG LYS 20 11.775 -7.036 1.889 156 HD2 LYS 20 1HD LYS 20 9.906 -6.021 3.118 157 HD3 LYS 20 2HD LYS 20 9.978 -4.580 2.103 158 HE2 LYS 20 1HE LYS 20 8.116 -5.972 1.403 159 HE3 LYS 20 2HE LYS 20 9.321 -5.869 0.119 160 HZ1 LYS 20 1HZ LYS 20 8.480 -8.142 0.455 161 HZ2 LYS 20 2HZ LYS 20 9.042 -8.175 1.985 162 HZ3 LYS 20 3HZ LYS 20 10.087 -8.093 0.730 163 H LEU 21 H LEU 21 15.139 -7.536 1.263 164 HA LEU 21 HA LEU 21 15.658 -6.183 -1.299 165 HB2 LEU 21 1HB LEU 21 15.998 -9.043 -0.326 166 HB3 LEU 21 2HB LEU 21 16.352 -8.546 -1.977 167 HG LEU 21 HG LEU 21 17.705 -7.259 0.434 168 HD11 LEU 21 1HD1 LEU 21 19.631 -8.713 -0.055 169 HD12 LEU 21 2HD1 LEU 21 18.685 -9.566 -1.297 170 HD13 LEU 21 3HD1 LEU 21 18.214 -9.666 0.414 171 HD21 LEU 21 1HD2 LEU 21 18.478 -7.392 -2.519 172 HD22 LEU 21 2HD2 LEU 21 19.386 -6.575 -1.226 173 HD23 LEU 21 3HD2 LEU 21 17.793 -5.973 -1.705 174 H MET 22 H MET 22 14.257 -6.060 -2.942 175 HA MET 22 HA MET 22 12.404 -8.237 -3.503 176 HB2 MET 22 1HB MET 22 10.363 -7.134 -3.345 177 HB3 MET 22 2HB MET 22 11.167 -6.744 -1.833 178 HG2 MET 22 1HG MET 22 11.748 -4.527 -2.669 179 HG3 MET 22 2HG MET 22 10.975 -4.869 -4.221 180 HE1 MET 22 1HE MET 22 7.172 -4.917 -3.404 181 HE2 MET 22 2HE MET 22 8.420 -4.934 -4.674 182 HE3 MET 22 3HE MET 22 8.214 -6.339 -3.599 183 H GLU 23 H GLU 23 10.912 -7.372 -5.500 184 HA GLU 23 HA GLU 23 12.741 -6.028 -7.446 185 HB2 GLU 23 1HB GLU 23 11.108 -8.554 -7.760 186 HB3 GLU 23 2HB GLU 23 11.616 -7.576 -9.145 187 HG2 GLU 23 1HG GLU 23 13.947 -7.820 -8.593 188 HG3 GLU 23 2HG GLU 23 13.571 -8.619 -7.063 189 H ILE 24 H ILE 24 11.966 -4.393 -8.491 190 HA ILE 24 HA ILE 24 9.054 -3.743 -8.422 191 HB ILE 24 HB ILE 24 11.543 -2.068 -8.857 192 HG12 ILE 24 1HG1 ILE 24 9.233 -2.012 -6.867 193 HG13 ILE 24 2HG1 ILE 24 10.876 -2.547 -6.543 194 HG21 ILE 24 1HG2 ILE 24 8.656 -1.221 -9.366 195 HG22 ILE 24 2HG2 ILE 24 10.056 -0.128 -9.311 196 HG23 ILE 24 3HG2 ILE 24 9.951 -1.329 -10.578 197 HD11 ILE 24 1HD1 ILE 24 9.965 0.300 -7.081 198 HD12 ILE 24 2HD1 ILE 24 10.653 -0.377 -5.600 199 HD13 ILE 24 3HD1 ILE 24 11.674 -0.204 -7.040 200 H ASP 25 H ASP 25 7.984 -4.548 -10.056 201 HA ASP 25 HA ASP 25 9.164 -4.803 -12.768 202 HB2 ASP 25 1HB ASP 25 7.673 -6.579 -11.929 203 HB3 ASP 25 2HB ASP 25 6.391 -5.395 -11.687 204 H GLN 26 H GLN 26 9.157 -3.055 -14.082 205 HA GLN 26 HA GLN 26 7.894 -0.601 -13.319 206 HB2 GLN 26 1HB GLN 26 9.178 -1.406 -15.931 207 HB3 GLN 26 2HB GLN 26 8.694 0.238 -15.521 208 HG2 GLN 26 1HG GLN 26 10.732 -1.366 -13.899 209 HG3 GLN 26 2HG GLN 26 11.137 -0.289 -15.221 210 HE21 GLN 26 1HE2 GLN 26 12.479 0.901 -13.671 211 HE22 GLN 26 2HE2 GLN 26 11.694 2.073 -12.620 212 H LYS 27 H LYS 27 6.479 -3.305 -14.861 213 HA LYS 27 HA LYS 27 4.209 -1.745 -15.998 214 HB2 LYS 27 1HB LYS 27 4.579 -4.745 -15.689 215 HB3 LYS 27 2HB LYS 27 3.328 -3.941 -16.617 216 HG2 LYS 27 1HG LYS 27 6.310 -3.937 -17.278 217 HG3 LYS 27 2HG LYS 27 5.055 -4.903 -18.029 218 HD2 LYS 27 1HD LYS 27 5.314 -3.244 -19.583 219 HD3 LYS 27 2HD LYS 27 3.930 -2.638 -18.669 220 HE2 LYS 27 1HE LYS 27 5.478 -1.138 -17.387 221 HE3 LYS 27 2HE LYS 27 6.849 -1.803 -18.281 222 HZ1 LYS 27 1HZ LYS 27 6.083 0.294 -19.244 223 HZ2 LYS 27 2HZ LYS 27 4.587 -0.304 -19.502 224 HZ3 LYS 27 3HZ LYS 27 5.865 -0.908 -20.324 225 H LYS 28 H LYS 28 4.974 -3.176 -12.899 226 HA LYS 28 HA LYS 28 2.150 -3.492 -12.087 227 HB2 LYS 28 1HB LYS 28 4.806 -3.813 -10.649 228 HB3 LYS 28 2HB LYS 28 3.276 -3.727 -9.763 229 HG2 LYS 28 1HG LYS 28 2.392 -5.657 -10.971 230 HG3 LYS 28 2HG LYS 28 3.846 -5.734 -11.971 231 HD2 LYS 28 1HD LYS 28 3.962 -7.430 -10.245 232 HD3 LYS 28 2HD LYS 28 5.217 -6.218 -9.956 233 HE2 LYS 28 1HE LYS 28 3.846 -5.168 -8.202 234 HE3 LYS 28 2HE LYS 28 2.542 -6.327 -8.500 235 HZ1 LYS 28 1HZ LYS 28 3.978 -8.099 -7.755 236 HZ2 LYS 28 2HZ LYS 28 4.034 -6.931 -6.609 237 HZ3 LYS 28 3HZ LYS 28 5.278 -7.109 -7.640 238 HA PRO 29 HA PRO 29 1.689 0.761 -10.762 239 HB2 PRO 29 1HB PRO 29 -0.418 0.531 -9.008 240 HB3 PRO 29 2HB PRO 29 -0.606 0.406 -10.772 241 HG2 PRO 29 1HG PRO 29 -0.432 -1.817 -8.761 242 HG3 PRO 29 2HG PRO 29 -1.528 -1.679 -10.164 243 HD2 PRO 29 1HD PRO 29 0.778 -3.180 -10.166 244 HD3 PRO 29 2HD PRO 29 0.128 -2.411 -11.639 245 H LEU 30 H LEU 30 2.436 2.079 -9.151 246 HA LEU 30 HA LEU 30 4.106 0.921 -7.144 247 HB2 LEU 30 1HB LEU 30 3.051 3.719 -7.622 248 HB3 LEU 30 2HB LEU 30 4.122 3.358 -6.266 249 HG LEU 30 HG LEU 30 4.884 2.631 -9.123 250 HD11 LEU 30 1HD1 LEU 30 5.450 5.189 -7.587 251 HD12 LEU 30 2HD1 LEU 30 4.437 5.009 -9.041 252 HD13 LEU 30 3HD1 LEU 30 6.182 4.716 -9.141 253 HD21 LEU 30 1HD2 LEU 30 7.179 2.717 -8.217 254 HD22 LEU 30 2HD2 LEU 30 6.216 1.529 -7.336 255 HD23 LEU 30 3HD2 LEU 30 6.544 3.114 -6.605 256 H SER 31 H SER 31 0.685 1.933 -6.882 257 HA SER 31 HA SER 31 0.560 1.814 -4.023 258 HB2 SER 31 1HB SER 31 -1.254 2.737 -5.386 259 HB3 SER 31 2HB SER 31 -1.592 1.131 -6.061 260 HG SER 31 HG SER 31 -2.976 1.677 -4.307 261 H ALA 32 H ALA 32 0.151 -0.835 -6.464 262 HA ALA 32 HA ALA 32 -0.330 -2.887 -4.494 263 HB1 ALA 32 1HB ALA 32 0.805 -3.118 -7.318 264 HB2 ALA 32 2HB ALA 32 0.142 -4.438 -6.339 265 HB3 ALA 32 3HB ALA 32 -0.924 -3.131 -6.879 266 H ILE 33 H ILE 33 2.683 -1.718 -6.062 267 HA ILE 33 HA ILE 33 4.463 -3.575 -4.782 268 HB ILE 33 HB ILE 33 4.921 -0.766 -5.857 269 HG12 ILE 33 1HG1 ILE 33 5.697 -3.439 -7.099 270 HG13 ILE 33 2HG1 ILE 33 4.164 -2.664 -7.456 271 HG21 ILE 33 1HG2 ILE 33 7.331 -1.288 -5.842 272 HG22 ILE 33 2HG2 ILE 33 6.700 -1.338 -4.213 273 HG23 ILE 33 3HG2 ILE 33 7.002 -2.859 -5.074 274 HD11 ILE 33 1HD1 ILE 33 5.288 -0.694 -8.377 275 HD12 ILE 33 2HD1 ILE 33 6.872 -1.414 -8.016 276 HD13 ILE 33 3HD1 ILE 33 5.802 -2.181 -9.198 277 H ILE 34 H ILE 34 3.528 -0.214 -3.788 278 HA ILE 34 HA ILE 34 5.066 -0.199 -1.391 279 HB ILE 34 HB ILE 34 2.623 1.375 -2.256 280 HG12 ILE 34 1HG1 ILE 34 5.503 2.330 -1.927 281 HG13 ILE 34 2HG1 ILE 34 4.962 1.596 -3.424 282 HG21 ILE 34 1HG2 ILE 34 4.368 1.836 0.210 283 HG22 ILE 34 2HG2 ILE 34 3.155 2.974 -0.414 284 HG23 ILE 34 3HG2 ILE 34 2.642 1.421 0.203 285 HD11 ILE 34 1HD1 ILE 34 3.211 3.336 -3.685 286 HD12 ILE 34 2HD1 ILE 34 3.798 4.131 -2.215 287 HD13 ILE 34 3HD1 ILE 34 4.854 4.002 -3.631 288 H LYS 35 H LYS 35 1.715 -1.364 -1.968 289 HA LYS 35 HA LYS 35 1.139 -2.074 0.745 290 HB2 LYS 35 1HB LYS 35 -0.459 -2.035 -1.233 291 HB3 LYS 35 2HB LYS 35 0.238 -3.573 -1.748 292 HG2 LYS 35 1HG LYS 35 -0.436 -4.602 0.405 293 HG3 LYS 35 2HG LYS 35 -1.070 -3.039 0.956 294 HD2 LYS 35 1HD LYS 35 -2.702 -3.052 -0.926 295 HD3 LYS 35 2HD LYS 35 -2.074 -4.633 -1.446 296 HE2 LYS 35 1HE LYS 35 -2.689 -5.590 0.773 297 HE3 LYS 35 2HE LYS 35 -3.323 -4.017 1.273 298 HZ1 LYS 35 1HZ LYS 35 -5.095 -5.470 0.466 299 HZ2 LYS 35 2HZ LYS 35 -4.376 -5.635 -0.990 300 HZ3 LYS 35 3HZ LYS 35 -4.964 -4.181 -0.526 301 H GLU 36 H GLU 36 2.878 -3.927 -1.802 302 HA GLU 36 HA GLU 36 3.376 -6.242 -0.155 303 HB2 GLU 36 1HB GLU 36 4.421 -5.136 -2.776 304 HB3 GLU 36 2HB GLU 36 5.124 -6.561 -2.055 305 HG2 GLU 36 1HG GLU 36 2.963 -7.710 -2.053 306 HG3 GLU 36 2HG GLU 36 2.151 -6.266 -2.655 307 H VAL 37 H VAL 37 5.162 -3.172 -0.618 308 HA VAL 37 HA VAL 37 7.476 -3.961 0.924 309 HB VAL 37 HB VAL 37 6.316 -1.153 0.706 310 HG11 VAL 37 1HG1 VAL 37 9.106 -2.164 1.415 311 HG12 VAL 37 2HG1 VAL 37 8.618 -0.462 1.260 312 HG13 VAL 37 3HG1 VAL 37 7.944 -1.468 2.549 313 HG21 VAL 37 1HG2 VAL 37 7.983 -0.748 -1.029 314 HG22 VAL 37 2HG2 VAL 37 8.499 -2.447 -0.952 315 HG23 VAL 37 3HG2 VAL 37 6.899 -2.027 -1.550 316 H CYS 38 H CYS 38 4.496 -2.175 1.842 317 HA CYS 38 HA CYS 38 5.083 -1.930 4.599 318 HB2 CYS 38 1HB CYS 38 2.406 -1.957 3.133 319 HB3 CYS 38 2HB CYS 38 2.617 -1.471 4.808 320 HG CYS 38 HG CYS 38 3.853 -0.165 2.042 321 H ASP 39 H ASP 39 3.156 -4.489 2.943 322 HA ASP 39 HA ASP 39 2.491 -6.006 5.243 323 HB2 ASP 39 1HB ASP 39 1.538 -6.261 2.956 324 HB3 ASP 39 2HB ASP 39 3.069 -6.950 2.404 325 H GLY 40 H GLY 40 5.542 -5.868 3.436 326 HA2 GLY 40 1HA GLY 40 6.865 -8.172 4.478 327 HA3 GLY 40 2HA GLY 40 7.626 -6.689 3.882 328 H TRP 41 H TRP 41 6.216 -5.031 5.969 329 HA TRP 41 HA TRP 41 7.560 -5.939 8.475 330 HB2 TRP 41 1HB TRP 41 7.180 -3.140 7.377 331 HB3 TRP 41 2HB TRP 41 7.750 -3.501 8.998 332 HD1 TRP 41 HD TRP 41 9.978 -5.398 8.856 333 HE1 TRP 41 1HE TRP 41 12.136 -5.065 7.507 334 HE3 TRP 41 3HE TRP 41 8.295 -1.944 5.465 335 HZ2 TRP 41 2HZ TRP 41 13.035 -3.476 5.286 336 HZ3 TRP 41 3HZ TRP 41 9.860 -1.005 3.768 337 HH2 TRP 41 HH TRP 41 12.199 -1.770 3.664 338 H SER 42 H SER 42 4.724 -6.312 7.350 339 HA SER 42 HA SER 42 2.594 -6.340 7.981 340 HB2 SER 42 1HB SER 42 2.051 -7.029 10.162 341 HB3 SER 42 2HB SER 42 3.623 -7.718 9.755 342 HG SER 42 HG SER 42 4.522 -5.849 10.940 343 H LEU 43 H LEU 43 3.723 -3.634 7.606 344 HA LEU 43 HA LEU 43 2.400 -1.778 9.392 345 HB2 LEU 43 1HB LEU 43 3.705 -1.553 6.669 346 HB3 LEU 43 2HB LEU 43 3.009 -0.155 7.451 347 HG LEU 43 HG LEU 43 5.196 -1.902 8.700 348 HD11 LEU 43 1HD1 LEU 43 5.478 0.715 7.181 349 HD12 LEU 43 2HD1 LEU 43 5.986 -0.891 6.604 350 HD13 LEU 43 3HD1 LEU 43 6.776 -0.173 8.009 351 HD21 LEU 43 1HD2 LEU 43 3.967 -0.542 10.358 352 HD22 LEU 43 2HD2 LEU 43 4.229 0.914 9.370 353 HD23 LEU 43 3HD2 LEU 43 5.603 0.078 10.126 354 H ALA 44 H ALA 44 0.358 -1.198 9.453 355 HA ALA 44 HA ALA 44 -1.602 -2.029 7.470 356 HB1 ALA 44 1HB ALA 44 -3.190 -0.952 9.019 357 HB2 ALA 44 2HB ALA 44 -2.083 -2.025 9.893 358 HB3 ALA 44 3HB ALA 44 -1.842 -0.262 9.946 359 H ASN 45 H ASN 45 -3.079 -0.593 6.446 360 HA ASN 45 HA ASN 45 -3.590 1.012 4.918 361 HB2 ASN 45 1HB ASN 45 -2.772 2.773 7.250 362 HB3 ASN 45 2HB ASN 45 -3.797 3.259 5.904 363 HD21 ASN 45 1HD2 ASN 45 -4.869 3.646 8.319 364 HD22 ASN 45 2HD2 ASN 45 -6.073 2.410 8.672 365 H HIS 46 H HIS 46 -1.762 0.258 3.542 366 HA HIS 46 HA HIS 46 0.742 1.589 3.418 367 HB2 HIS 46 1HB HIS 46 1.041 0.332 1.446 368 HB3 HIS 46 2HB HIS 46 0.046 -0.681 2.480 369 HD2 HIS 46 2HD HIS 46 0.129 1.094 -0.817 370 HE1 HIS 46 1HE HIS 46 -3.875 -0.323 -0.552 371 HE2 HIS 46 2HE HIS 46 -2.132 0.714 -2.116 372 H GLU 47 H GLU 47 -2.371 2.656 2.391 373 HA GLU 47 HA GLU 47 -1.880 4.347 0.213 374 HB2 GLU 47 1HB GLU 47 -3.721 5.055 2.529 375 HB3 GLU 47 2HB GLU 47 -3.876 5.494 0.823 376 HG2 GLU 47 1HG GLU 47 -4.105 2.941 0.395 377 HG3 GLU 47 2HG GLU 47 -4.358 2.812 2.147 378 H TYR 48 H TYR 48 -0.989 4.869 3.610 379 HA TYR 48 HA TYR 48 -0.504 7.722 3.296 380 HB2 TYR 48 1HB TYR 48 0.673 5.915 5.412 381 HB3 TYR 48 2HB TYR 48 0.422 7.646 5.503 382 HD1 TYR 48 1HD TYR 48 -0.242 5.949 7.686 383 HD2 TYR 48 2HD TYR 48 -2.669 7.040 4.290 384 HE1 TYR 48 1HE TYR 48 -2.299 5.467 8.997 385 HE2 TYR 48 2HE TYR 48 -4.714 6.468 5.558 386 HH TYR 48 HH TYR 48 -5.574 5.995 7.662 387 H PHE 49 H PHE 49 1.284 4.966 2.312 388 HA PHE 49 HA PHE 49 3.917 6.196 2.835 389 HB2 PHE 49 1HB PHE 49 3.043 3.371 2.197 390 HB3 PHE 49 2HB PHE 49 4.717 3.873 2.210 391 HD1 PHE 49 1HD PHE 49 1.698 3.460 4.381 392 HD2 PHE 49 2HD PHE 49 5.954 4.156 4.224 393 HE1 PHE 49 1HE PHE 49 1.843 3.097 6.825 394 HE2 PHE 49 2HE PHE 49 6.090 3.802 6.675 395 HZ PHE 49 HZ PHE 49 4.043 3.275 7.982 396 H ALA 50 H ALA 50 5.599 6.131 1.470 397 HA ALA 50 HA ALA 50 5.270 5.630 -1.400 398 HB1 ALA 50 1HB ALA 50 6.349 7.805 -1.963 399 HB2 ALA 50 2HB ALA 50 4.763 8.040 -1.205 400 HB3 ALA 50 3HB ALA 50 6.245 8.294 -0.257 401 H LEU 51 H LEU 51 7.243 5.101 -2.386 402 HA LEU 51 HA LEU 51 9.503 4.399 -0.602 403 HB2 LEU 51 1HB LEU 51 8.817 3.964 -3.516 404 HB3 LEU 51 2HB LEU 51 10.469 3.731 -2.946 405 HG LEU 51 HG LEU 51 8.081 2.300 -1.698 406 HD11 LEU 51 1HD1 LEU 51 9.954 1.340 -3.899 407 HD12 LEU 51 2HD1 LEU 51 8.223 1.700 -4.076 408 HD13 LEU 51 3HD1 LEU 51 8.743 0.348 -3.060 409 HD21 LEU 51 1HD2 LEU 51 10.136 2.350 -0.298 410 HD22 LEU 51 2HD2 LEU 51 11.079 1.711 -1.664 411 HD23 LEU 51 3HD2 LEU 51 9.813 0.730 -0.905 412 H GLN 52 H GLN 52 11.595 5.326 -0.918 413 HA GLN 52 HA GLN 52 11.808 7.849 -2.476 414 HB2 GLN 52 1HB GLN 52 10.992 8.333 -0.151 415 HB3 GLN 52 2HB GLN 52 12.448 7.564 0.490 416 HG2 GLN 52 1HG GLN 52 13.823 9.339 -0.651 417 HG3 GLN 52 2HG GLN 52 12.324 10.057 -1.253 418 HE21 GLN 52 1HE2 GLN 52 11.966 11.948 -0.107 419 HE22 GLN 52 2HE2 GLN 52 12.111 12.048 1.643 420 H HIS 53 H HIS 53 13.934 8.399 -3.050 421 HA HIS 53 HA HIS 53 15.876 6.216 -3.251 422 HB2 HIS 53 1HB HIS 53 15.904 9.155 -3.941 423 HB3 HIS 53 2HB HIS 53 17.396 8.216 -3.944 424 HD2 HIS 53 2HD HIS 53 14.222 8.725 -5.991 425 HE1 HIS 53 1HE HIS 53 16.489 5.753 -8.040 426 HE2 HIS 53 2HE HIS 53 14.476 7.310 -8.197 427 H ALA 54 H ALA 54 17.366 5.541 -1.819 428 HA ALA 54 HA ALA 54 17.315 6.705 0.820 429 HB1 ALA 54 1HB ALA 54 17.407 4.283 0.376 430 HB2 ALA 54 2HB ALA 54 19.023 4.476 -0.350 431 HB3 ALA 54 3HB ALA 54 18.772 4.796 1.375 432 H ASP 55 H ASP 55 19.580 7.016 -1.840 433 HA ASP 55 HA ASP 55 21.899 7.630 -0.236 434 HB2 ASP 55 1HB ASP 55 21.953 6.456 -2.407 435 HB3 ASP 55 2HB ASP 55 21.428 7.929 -3.224 436 H SER 56 H SER 56 20.743 9.316 0.984 437 HA SER 56 HA SER 56 20.464 11.374 1.773 438 HB2 SER 56 1HB SER 56 22.043 13.047 1.385 439 HB3 SER 56 2HB SER 56 22.892 11.510 1.188 440 HG SER 56 HG SER 56 22.534 11.789 -1.122 441 H SER 57 H SER 57 19.594 10.979 -1.500 442 HA SER 57 HA SER 57 18.424 13.498 -2.085 443 HB2 SER 57 1HB SER 57 18.932 11.831 -3.780 444 HB3 SER 57 2HB SER 57 17.732 10.717 -3.093 445 HG SER 57 HG SER 57 17.140 12.183 -4.960 446 H ASN 58 H ASN 58 16.333 14.268 -2.049 447 HA ASN 58 HA ASN 58 14.461 13.134 -0.053 448 HB2 ASN 58 1HB ASN 58 13.274 15.225 -0.275 449 HB3 ASN 58 2HB ASN 58 14.979 15.560 -0.026 450 HD21 ASN 58 1HD2 ASN 58 12.277 16.193 -2.033 451 HD22 ASN 58 2HD2 ASN 58 13.165 16.996 -3.321 452 H PHE 59 H PHE 59 15.012 12.594 -3.354 453 HA PHE 59 HA PHE 59 12.463 12.990 -4.506 454 HB2 PHE 59 1HB PHE 59 14.654 11.038 -5.266 455 HB3 PHE 59 2HB PHE 59 13.251 11.398 -6.256 456 HD1 PHE 59 1HD PHE 59 15.567 11.537 -7.636 457 HD2 PHE 59 2HD PHE 59 14.010 14.591 -5.008 458 HE1 PHE 59 1HE PHE 59 16.861 13.270 -8.866 459 HE2 PHE 59 2HE PHE 59 15.301 16.302 -6.233 460 HZ PHE 59 HZ PHE 59 16.729 15.654 -8.163 461 H TYR 60 H TYR 60 10.645 12.182 -3.686 462 HA TYR 60 HA TYR 60 10.256 9.436 -2.841 463 HB2 TYR 60 1HB TYR 60 8.253 11.541 -3.737 464 HB3 TYR 60 2HB TYR 60 7.849 9.991 -3.020 465 HD1 TYR 60 1HD TYR 60 8.418 9.489 -0.634 466 HD2 TYR 60 2HD TYR 60 8.925 13.416 -2.352 467 HE1 TYR 60 1HE TYR 60 8.440 10.496 1.651 468 HE2 TYR 60 2HE TYR 60 8.977 14.405 -0.066 469 HH TYR 60 HH TYR 60 8.649 12.400 2.886 470 H ILE 61 H ILE 61 9.299 7.754 -4.005 471 HA ILE 61 HA ILE 61 9.639 7.809 -6.926 472 HB ILE 61 HB ILE 61 8.753 5.589 -5.071 473 HG12 ILE 61 1HG1 ILE 61 11.024 6.118 -4.513 474 HG13 ILE 61 2HG1 ILE 61 11.045 4.660 -5.479 475 HG21 ILE 61 1HG2 ILE 61 9.265 4.075 -6.964 476 HG22 ILE 61 2HG2 ILE 61 7.932 5.163 -7.321 477 HG23 ILE 61 3HG2 ILE 61 9.533 5.488 -8.012 478 HD11 ILE 61 1HD1 ILE 61 12.878 6.069 -6.145 479 HD12 ILE 61 2HD1 ILE 61 11.720 6.078 -7.485 480 HD13 ILE 61 3HD1 ILE 61 11.827 7.474 -6.389 481 H THR 62 H THR 62 8.114 7.775 -8.405 482 HA THR 62 HA THR 62 5.226 7.849 -7.797 483 HB THR 62 HB THR 62 4.849 9.918 -8.916 484 HG1 THR 62 1HG THR 62 6.587 11.129 -9.761 485 HG21 THR 62 1HG2 THR 62 7.258 10.501 -7.147 486 HG22 THR 62 2HG2 THR 62 5.600 10.243 -6.556 487 HG23 THR 62 3HG2 THR 62 5.971 11.621 -7.611 488 H GLU 63 H GLU 63 4.008 7.900 -9.999 489 HA GLU 63 HA GLU 63 5.061 5.862 -11.700 490 HB2 GLU 63 1HB GLU 63 2.770 7.800 -12.110 491 HB3 GLU 63 2HB GLU 63 3.113 6.446 -13.181 492 HG2 GLU 63 1HG GLU 63 2.427 6.221 -10.215 493 HG3 GLU 63 2HG GLU 63 1.317 5.945 -11.546 494 H LYS 64 H LYS 64 5.908 9.144 -11.651 495 HA LYS 64 HA LYS 64 7.139 9.025 -14.381 496 HB2 LYS 64 1HB LYS 64 6.990 11.327 -12.389 497 HB3 LYS 64 2HB LYS 64 7.678 11.396 -14.008 498 HG2 LYS 64 1HG LYS 64 4.742 10.934 -13.322 499 HG3 LYS 64 2HG LYS 64 5.467 12.419 -13.937 500 HD2 LYS 64 1HD LYS 64 6.110 11.214 -16.039 501 HD3 LYS 64 2HD LYS 64 5.265 9.769 -15.436 502 HE2 LYS 64 1HE LYS 64 3.158 11.061 -15.274 503 HE3 LYS 64 2HE LYS 64 3.989 12.504 -15.867 504 HZ1 LYS 64 1HZ LYS 64 2.822 11.358 -17.661 505 HZ2 LYS 64 2HZ LYS 64 3.659 9.980 -17.405 506 HZ3 LYS 64 3HZ LYS 64 4.426 11.316 -17.952 507 H ASN 65 H ASN 65 8.028 9.392 -10.935 508 HA ASN 65 HA ASN 65 10.864 9.664 -11.516 509 HB2 ASN 65 1HB ASN 65 9.306 9.285 -8.928 510 HB3 ASN 65 2HB ASN 65 11.051 9.482 -8.987 511 HD21 ASN 65 1HD2 ASN 65 9.826 11.210 -7.457 512 HD22 ASN 65 2HD2 ASN 65 9.780 12.791 -8.233 513 H ARG 66 H ARG 66 8.832 6.873 -10.907 514 HA ARG 66 HA ARG 66 10.751 4.988 -10.038 515 HB2 ARG 66 1HB ARG 66 9.230 3.311 -10.903 516 HB3 ARG 66 2HB ARG 66 8.338 4.588 -10.086 517 HG2 ARG 66 1HG ARG 66 7.785 5.619 -12.315 518 HG3 ARG 66 2HG ARG 66 8.633 4.316 -13.120 519 HD2 ARG 66 1HD ARG 66 6.167 4.088 -11.361 520 HD3 ARG 66 2HD ARG 66 6.227 3.899 -13.122 521 HE ARG 66 HE ARG 66 7.996 1.983 -12.152 522 HH11 ARG 66 1HH1 ARG 66 4.504 2.545 -11.916 523 HH12 ARG 66 2HH1 ARG 66 4.255 0.859 -11.469 524 HH21 ARG 66 1HH2 ARG 66 7.495 -0.052 -11.360 525 HH22 ARG 66 2HH2 ARG 66 5.813 -0.518 -11.230 526 H ASN 67 H ASN 67 10.538 6.418 -13.193 527 HA ASN 67 HA ASN 67 12.064 4.443 -14.645 528 HB2 ASN 67 1HB ASN 67 11.640 7.430 -15.114 529 HB3 ASN 67 2HB ASN 67 12.350 6.311 -16.275 530 HD21 ASN 67 1HD2 ASN 67 9.392 7.618 -15.119 531 HD22 ASN 67 2HD2 ASN 67 8.338 6.530 -16.021 532 H GLU 68 H GLU 68 13.051 6.809 -12.261 533 HA GLU 68 HA GLU 68 15.881 6.815 -13.056 534 HB2 GLU 68 1HB GLU 68 14.548 7.739 -10.480 535 HB3 GLU 68 2HB GLU 68 16.205 8.058 -10.968 536 HG2 GLU 68 1HG GLU 68 13.674 9.128 -12.272 537 HG3 GLU 68 2HG GLU 68 14.874 10.030 -11.357 538 H ILE 69 H ILE 69 13.908 4.512 -11.466 539 HA ILE 69 HA ILE 69 15.953 3.442 -9.672 540 HB ILE 69 HB ILE 69 13.342 2.219 -10.631 541 HG12 ILE 69 1HG1 ILE 69 13.935 3.689 -8.013 542 HG13 ILE 69 2HG1 ILE 69 13.036 4.382 -9.359 543 HG21 ILE 69 1HG2 ILE 69 13.574 0.662 -8.782 544 HG22 ILE 69 2HG2 ILE 69 15.030 0.570 -9.752 545 HG23 ILE 69 3HG2 ILE 69 15.053 1.477 -8.229 546 HD11 ILE 69 1HD1 ILE 69 12.161 2.024 -7.668 547 HD12 ILE 69 2HD1 ILE 69 11.456 3.637 -7.741 548 HD13 ILE 69 3HD1 ILE 69 11.330 2.564 -9.149 549 H LYS 70 H LYS 70 17.414 1.974 -10.129 550 HA LYS 70 HA LYS 70 17.326 0.372 -12.636 551 HB2 LYS 70 1HB LYS 70 19.732 0.566 -12.869 552 HB3 LYS 70 2HB LYS 70 18.962 2.125 -13.012 553 HG2 LYS 70 1HG LYS 70 20.217 1.190 -10.391 554 HG3 LYS 70 2HG LYS 70 21.193 1.868 -11.678 555 HD2 LYS 70 1HD LYS 70 18.926 3.367 -10.301 556 HD3 LYS 70 2HD LYS 70 20.637 3.512 -9.924 557 HE2 LYS 70 1HE LYS 70 21.136 4.361 -12.154 558 HE3 LYS 70 2HE LYS 70 19.468 4.088 -12.679 559 HZ1 LYS 70 1HZ LYS 70 18.712 5.718 -11.099 560 HZ2 LYS 70 2HZ LYS 70 19.849 6.407 -12.052 561 HZ3 LYS 70 3HZ LYS 70 20.233 5.975 -10.521 562 H ASN 71 H ASN 71 18.811 -1.574 -12.505 563 HA ASN 71 HA ASN 71 17.932 -3.198 -10.339 564 HB2 ASN 71 1HB ASN 71 18.569 -3.935 -12.680 565 HB3 ASN 71 2HB ASN 71 20.263 -3.728 -12.232 566 HD21 ASN 71 1HD2 ASN 71 20.320 -6.944 -10.763 567 HD22 ASN 71 2HD2 ASN 71 21.221 -5.613 -11.475 568 H GLY 72 H GLY 72 18.560 -3.217 -8.303 569 HA2 GLY 72 1HA GLY 72 20.072 -3.498 -6.514 570 HA3 GLY 72 2HA GLY 72 21.397 -2.868 -7.486 571 H THR 73 H THR 73 18.481 -0.923 -7.587 572 HA THR 73 HA THR 73 19.778 1.334 -6.327 573 HB THR 73 HB THR 73 16.827 0.913 -6.904 574 HG1 THR 73 1HG THR 73 18.131 0.859 -8.708 575 HG21 THR 73 1HG2 THR 73 16.688 3.389 -6.933 576 HG22 THR 73 2HG2 THR 73 18.364 3.494 -6.360 577 HG23 THR 73 3HG2 THR 73 17.101 2.797 -5.325 578 H ILE 74 H ILE 74 19.921 1.938 -4.228 579 HA ILE 74 HA ILE 74 18.433 0.451 -2.166 580 HB ILE 74 HB ILE 74 20.341 2.755 -1.737 581 HG12 ILE 74 1HG1 ILE 74 20.977 -0.236 -1.643 582 HG13 ILE 74 2HG1 ILE 74 21.476 0.847 -2.942 583 HG21 ILE 74 1HG2 ILE 74 18.711 2.117 0.131 584 HG22 ILE 74 2HG2 ILE 74 19.433 0.507 0.134 585 HG23 ILE 74 3HG2 ILE 74 20.404 1.930 0.568 586 HD11 ILE 74 1HD1 ILE 74 22.753 2.227 -1.330 587 HD12 ILE 74 2HD1 ILE 74 22.400 1.023 -0.062 588 HD13 ILE 74 3HD1 ILE 74 23.339 0.560 -1.490 589 H LEU 75 H LEU 75 16.564 1.070 -1.424 590 HA LEU 75 HA LEU 75 15.552 3.862 -1.791 591 HB2 LEU 75 1HB LEU 75 14.028 1.242 -1.974 592 HB3 LEU 75 2HB LEU 75 13.287 2.839 -2.018 593 HG LEU 75 HG LEU 75 15.190 1.718 -4.120 594 HD11 LEU 75 1HD1 LEU 75 12.948 0.655 -4.075 595 HD12 LEU 75 2HD1 LEU 75 13.198 1.634 -5.530 596 HD13 LEU 75 3HD1 LEU 75 12.195 2.261 -4.206 597 HD21 LEU 75 1HD2 LEU 75 15.391 4.157 -4.045 598 HD22 LEU 75 2HD2 LEU 75 13.621 4.340 -4.018 599 HD23 LEU 75 3HD2 LEU 75 14.442 3.699 -5.458 600 H ARG 76 H ARG 76 13.691 4.268 -0.255 601 HA ARG 76 HA ARG 76 13.908 2.931 2.401 602 HB2 ARG 76 1HB ARG 76 15.415 4.919 2.224 603 HB3 ARG 76 2HB ARG 76 14.015 5.939 1.877 604 HG2 ARG 76 1HG ARG 76 13.054 5.431 4.083 605 HG3 ARG 76 2HG ARG 76 14.357 4.285 4.414 606 HD2 ARG 76 1HD ARG 76 14.631 7.292 4.029 607 HD3 ARG 76 2HD ARG 76 14.727 6.431 5.565 608 HE ARG 76 HE ARG 76 16.776 5.238 4.609 609 HH11 ARG 76 1HH1 ARG 76 16.049 8.456 3.346 610 HH12 ARG 76 2HH1 ARG 76 17.698 8.652 2.807 611 HH21 ARG 76 1HH2 ARG 76 19.150 7.004 3.016 612 HH22 ARG 76 2HH2 ARG 76 18.681 5.543 3.900 613 H LEU 77 H LEU 77 11.982 2.628 3.377 614 HA LEU 77 HA LEU 77 9.510 3.582 2.067 615 HB2 LEU 77 1HB LEU 77 9.578 1.299 2.879 616 HB3 LEU 77 2HB LEU 77 10.012 1.834 4.503 617 HG LEU 77 HG LEU 77 7.752 2.995 4.581 618 HD11 LEU 77 1HD1 LEU 77 7.401 1.416 1.979 619 HD12 LEU 77 2HD1 LEU 77 7.250 3.174 2.174 620 HD13 LEU 77 3HD1 LEU 77 6.060 2.085 2.907 621 HD21 LEU 77 1HD2 LEU 77 8.107 0.821 5.638 622 HD22 LEU 77 2HD2 LEU 77 7.733 0.007 4.108 623 HD23 LEU 77 3HD2 LEU 77 6.478 0.942 4.943 624 H THR 78 H THR 78 8.268 5.248 2.756 625 HA THR 78 HA THR 78 8.603 6.503 5.397 626 HB THR 78 HB THR 78 10.455 7.493 4.218 627 HG1 THR 78 1HG THR 78 9.440 8.980 5.417 628 HG21 THR 78 1HG2 THR 78 10.171 8.852 2.155 629 HG22 THR 78 2HG2 THR 78 8.531 8.183 1.965 630 HG23 THR 78 3HG2 THR 78 9.955 7.128 1.878 631 H THR 79 H THR 79 6.827 8.039 5.867 632 HA THR 79 HA THR 79 4.436 7.548 4.231 633 HB THR 79 HB THR 79 3.242 9.068 5.639 634 HG1 THR 79 1HG THR 79 5.145 10.329 6.275 635 HG21 THR 79 1HG2 THR 79 4.746 6.970 7.234 636 HG22 THR 79 2HG2 THR 79 3.320 6.687 6.210 637 HG23 THR 79 3HG2 THR 79 3.179 7.704 7.649 638 H SER 80 H SER 80 3.454 8.948 2.820 639 HA SER 80 HA SER 80 5.247 10.593 1.323 640 HB2 SER 80 1HB SER 80 3.512 10.790 -0.232 641 HB3 SER 80 2HB SER 80 3.239 9.219 0.509 642 HG SER 80 HG SER 80 1.315 10.370 0.362 643 HA PRO 81 HA PRO 81 4.850 14.671 2.937 644 HB2 PRO 81 1HB PRO 81 3.910 15.583 0.205 645 HB3 PRO 81 2HB PRO 81 5.143 16.321 1.275 646 HG2 PRO 81 1HG PRO 81 5.918 14.787 -0.799 647 HG3 PRO 81 2HG PRO 81 6.676 14.559 0.814 648 HD2 PRO 81 1HD PRO 81 4.469 12.918 -0.468 649 HD3 PRO 81 2HD PRO 81 5.941 12.367 0.380 650 H ALA 82 H ALA 82 2.020 13.466 1.237 651 HA ALA 82 HA ALA 82 0.176 15.284 2.719 652 HB1 ALA 82 1HB ALA 82 -1.454 14.562 1.038 653 HB2 ALA 82 2HB ALA 82 0.019 15.135 0.229 654 HB3 ALA 82 3HB ALA 82 -0.293 13.388 0.388 655 H GLN 83 H GLN 83 1.531 12.232 3.174 656 HA GLN 83 HA GLN 83 0.927 10.226 3.932 657 HB2 GLN 83 1HB GLN 83 -0.776 11.872 5.844 658 HB3 GLN 83 2HB GLN 83 -0.407 10.148 6.027 659 HG2 GLN 83 1HG GLN 83 2.055 10.770 5.856 660 HG3 GLN 83 2HG GLN 83 1.578 12.450 6.085 661 HE21 GLN 83 1HE2 GLN 83 3.191 10.454 7.829 662 HE22 GLN 83 2HE2 GLN 83 2.362 10.567 9.376 663 H ASN 84 H ASN 84 -0.259 10.786 1.630 664 HA ASN 84 HA ASN 84 -2.623 9.037 1.530 665 HB2 ASN 84 1HB ASN 84 -2.622 11.993 0.759 666 HB3 ASN 84 2HB ASN 84 -3.703 10.848 -0.020 667 HD21 ASN 84 1HD2 ASN 84 -3.118 12.607 2.980 668 HD22 ASN 84 2HD2 ASN 84 -4.649 12.124 3.695 669 H ALA 85 H ALA 85 -3.149 8.476 -0.758 670 HA ALA 85 HA ALA 85 -0.858 7.540 -2.086 671 HB1 ALA 85 1HB ALA 85 -3.088 6.500 -2.200 672 HB2 ALA 85 2HB ALA 85 -3.701 7.882 -3.141 673 HB3 ALA 85 3HB ALA 85 -2.455 6.818 -3.826 674 H GLN 86 H GLN 86 -2.700 10.515 -2.716 675 HA GLN 86 HA GLN 86 -1.002 11.312 -4.999 676 HB2 GLN 86 1HB GLN 86 -3.346 11.979 -4.999 677 HB3 GLN 86 2HB GLN 86 -3.167 12.757 -3.421 678 HG2 GLN 86 1HG GLN 86 -1.517 14.358 -4.424 679 HG3 GLN 86 2HG GLN 86 -1.784 13.620 -6.002 680 HE21 GLN 86 1HE2 GLN 86 -2.506 16.335 -4.382 681 HE22 GLN 86 2HE2 GLN 86 -4.112 16.647 -5.042 682 H GLN 87 H GLN 87 1.079 11.767 -4.501 683 HA GLN 87 HA GLN 87 1.926 12.685 -1.915 684 HB2 GLN 87 1HB GLN 87 4.115 12.574 -2.759 685 HB3 GLN 87 2HB GLN 87 3.255 11.215 -3.448 686 HG2 GLN 87 1HG GLN 87 3.883 13.827 -4.920 687 HG3 GLN 87 2HG GLN 87 4.874 12.387 -4.973 688 HE21 GLN 87 1HE2 GLN 87 4.072 13.383 -7.376 689 HE22 GLN 87 2HE2 GLN 87 2.829 12.341 -8.052 690 H LEU 88 H LEU 88 0.791 14.447 -4.627 691 HA LEU 88 HA LEU 88 2.237 16.936 -4.038 692 HB2 LEU 88 1HB LEU 88 0.078 16.299 -6.069 693 HB3 LEU 88 2HB LEU 88 0.966 17.813 -5.950 694 HG LEU 88 HG LEU 88 2.154 15.095 -6.624 695 HD11 LEU 88 1HD1 LEU 88 0.788 16.118 -8.404 696 HD12 LEU 88 2HD1 LEU 88 2.506 16.100 -8.839 697 HD13 LEU 88 3HD1 LEU 88 1.748 17.610 -8.282 698 HD21 LEU 88 1HD2 LEU 88 4.226 16.378 -7.178 699 HD22 LEU 88 2HD2 LEU 88 3.863 16.407 -5.452 700 HD23 LEU 88 3HD2 LEU 88 3.497 17.829 -6.457 701 H HIS 89 H HIS 89 1.528 18.639 -2.967 702 HA HIS 89 HA HIS 89 -1.179 18.754 -1.775 703 HB2 HIS 89 1HB HIS 89 -0.300 20.764 -0.655 704 HB3 HIS 89 2HB HIS 89 0.720 19.357 -0.396 705 HD2 HIS 89 2HD HIS 89 3.249 19.609 -0.957 706 HE1 HIS 89 1HE HIS 89 3.136 23.251 -3.179 707 HE2 HIS 89 2HE HIS 89 4.661 21.484 -2.160 708 H GLU 90 H GLU 90 0.190 19.718 -4.724 709 HA GLU 90 HA GLU 90 -1.000 22.258 -5.156 710 HB2 GLU 90 1HB GLU 90 0.916 21.378 -6.379 711 HB3 GLU 90 2HB GLU 90 -0.086 20.134 -7.135 712 HG2 GLU 90 1HG GLU 90 -1.383 21.824 -8.331 713 HG3 GLU 90 2HG GLU 90 -0.545 23.126 -7.478 714 H ARG 91 H ARG 91 -2.805 22.954 -6.260 715 HA ARG 91 HA ARG 91 -4.966 21.023 -6.946 716 HB2 ARG 91 1HB ARG 91 -5.254 21.840 -4.628 717 HB3 ARG 91 2HB ARG 91 -5.217 23.516 -5.197 718 HG2 ARG 91 1HG ARG 91 -7.281 23.174 -6.471 719 HG3 ARG 91 2HG ARG 91 -7.252 21.439 -6.084 720 HD2 ARG 91 1HD ARG 91 -7.484 21.979 -3.680 721 HD3 ARG 91 2HD ARG 91 -7.527 23.713 -4.067 722 HE ARG 91 HE ARG 91 -9.544 22.734 -5.626 723 HH11 ARG 91 1HH1 ARG 91 -8.983 22.520 -2.166 724 HH12 ARG 91 2HH1 ARG 91 -10.684 22.263 -1.823 725 HH21 ARG 91 1HH2 ARG 91 -11.649 22.274 -5.111 726 HH22 ARG 91 2HH2 ARG 91 -12.120 22.108 -3.426 727 H ILE 92 H ILE 92 -6.084 21.499 -8.740 728 HA ILE 92 HA ILE 92 -5.076 23.573 -10.515 729 HB ILE 92 HB ILE 92 -7.303 21.531 -10.840 730 HG12 ILE 92 1HG1 ILE 92 -4.456 21.593 -11.953 731 HG13 ILE 92 2HG1 ILE 92 -4.964 20.632 -10.569 732 HG21 ILE 92 1HG2 ILE 92 -6.040 23.339 -12.955 733 HG22 ILE 92 2HG2 ILE 92 -7.209 22.037 -13.266 734 HG23 ILE 92 3HG2 ILE 92 -7.713 23.445 -12.362 735 HD11 ILE 92 1HD1 ILE 92 -6.593 19.412 -12.035 736 HD12 ILE 92 2HD1 ILE 92 -5.875 20.246 -13.437 737 HD13 ILE 92 3HD1 ILE 92 -4.882 19.174 -12.443 738 H GLN 93 H GLN 93 -8.224 23.055 -8.869 739 HA GLN 93 HA GLN 93 -8.785 25.935 -8.964 740 HB2 GLN 93 1HB GLN 93 -10.795 25.840 -10.160 741 HB3 GLN 93 2HB GLN 93 -9.621 24.998 -11.152 742 HG2 GLN 93 1HG GLN 93 -11.802 23.708 -9.441 743 HG3 GLN 93 2HG GLN 93 -11.832 23.925 -11.179 744 HE21 GLN 93 1HE2 GLN 93 -10.437 22.008 -8.550 745 HE22 GLN 93 2HE2 GLN 93 -9.840 20.730 -9.617 746 H SER 94 H SER 94 -10.382 26.651 -7.548 747 HA SER 94 HA SER 94 -10.840 25.063 -5.148 748 HB2 SER 94 1HB SER 94 -11.882 27.129 -4.327 749 HB3 SER 94 2HB SER 94 -10.290 27.437 -5.033 750 HG SER 94 HG SER 94 -11.863 28.964 -5.728 751 H SER 95 H SER 95 -13.083 25.198 -4.132 752 HA SER 95 HA SER 95 -15.385 25.041 -5.953 753 HB2 SER 95 1HB SER 95 -14.555 22.717 -5.903 754 HB3 SER 95 2HB SER 95 -14.640 22.724 -4.130 755 HG SER 95 HG SER 95 -16.499 21.785 -5.152 756 H SER 96 H SER 96 -17.439 25.118 -4.786 757 HA SER 96 HA SER 96 -17.384 26.988 -2.575 758 HB2 SER 96 1HB SER 96 -19.835 26.792 -2.679 759 HB3 SER 96 2HB SER 96 -19.122 27.073 -4.277 760 HG SER 96 HG SER 96 -20.714 25.422 -4.327 761 H MET 97 H MET 97 -17.814 23.483 -2.796 762 HA MET 97 HA MET 97 -17.502 23.230 0.139 763 HB2 MET 97 1HB MET 97 -19.828 21.986 -1.388 764 HB3 MET 97 2HB MET 97 -19.334 21.548 0.252 765 HG2 MET 97 1HG MET 97 -19.722 23.927 0.946 766 HG3 MET 97 2HG MET 97 -20.408 24.241 -0.651 767 HE1 MET 97 1HE MET 97 -23.708 22.167 -0.659 768 HE2 MET 97 2HE MET 97 -22.671 23.314 -1.534 769 HE3 MET 97 3HE MET 97 -22.148 21.627 -1.311 770 H ASP 98 H ASP 98 -15.623 22.119 0.148 771 HA ASP 98 HA ASP 98 -15.093 19.823 -1.610 772 HB2 ASP 98 1HB ASP 98 -13.718 20.825 0.912 773 HB3 ASP 98 2HB ASP 98 -13.153 19.481 -0.078 774 H ALA 99 H ALA 99 -16.416 20.322 1.627 775 HA ALA 99 HA ALA 99 -16.445 17.511 2.374 776 HB1 ALA 99 1HB ALA 99 -17.725 19.961 3.652 777 HB2 ALA 99 2HB ALA 99 -17.554 18.355 4.394 778 HB3 ALA 99 3HB ALA 99 -16.109 19.311 4.015 779 H LYS 100 H LYS 100 -17.572 17.203 0.122 780 HA LYS 100 HA LYS 100 -20.296 17.766 -0.306 781 HB2 LYS 100 1HB LYS 100 -18.601 16.987 -1.974 782 HB3 LYS 100 2HB LYS 100 -18.699 15.360 -1.290 783 HG2 LYS 100 1HG LYS 100 -21.060 15.188 -1.974 784 HG3 LYS 100 2HG LYS 100 -21.033 16.872 -2.545 785 HD2 LYS 100 1HD LYS 100 -19.341 16.265 -4.258 786 HD3 LYS 100 2HD LYS 100 -19.282 14.617 -3.622 787 HE2 LYS 100 1HE LYS 100 -20.631 14.562 -5.589 788 HE3 LYS 100 2HE LYS 100 -21.688 14.306 -4.198 789 HZ1 LYS 100 1HZ LYS 100 -22.370 16.643 -4.377 790 HZ2 LYS 100 2HZ LYS 100 -22.634 15.886 -5.794 791 HZ3 LYS 100 3HZ LYS 100 -21.360 16.890 -5.641 792 H LEU 101 H LEU 101 -18.994 15.362 1.701 793 HA LEU 101 HA LEU 101 -21.392 13.753 2.040 794 HB2 LEU 101 1HB LEU 101 -20.156 12.425 3.464 795 HB3 LEU 101 2HB LEU 101 -18.991 12.951 2.265 796 HG LEU 101 HG LEU 101 -19.265 13.999 5.129 797 HD11 LEU 101 1HD1 LEU 101 -17.115 12.302 3.801 798 HD12 LEU 101 2HD1 LEU 101 -18.352 11.716 4.935 799 HD13 LEU 101 3HD1 LEU 101 -17.124 12.865 5.488 800 HD21 LEU 101 1HD2 LEU 101 -17.214 14.728 2.991 801 HD22 LEU 101 2HD2 LEU 101 -17.078 15.125 4.716 802 HD23 LEU 101 3HD2 LEU 101 -18.388 15.825 3.777 803 H GLU 102 H GLU 102 -20.652 16.844 3.288 804 HA GLU 102 HA GLU 102 -21.625 16.549 5.973 805 HB2 GLU 102 1HB GLU 102 -20.108 18.320 5.262 806 HB3 GLU 102 2HB GLU 102 -21.362 19.025 4.230 807 HG2 GLU 102 1HG GLU 102 -22.739 19.575 6.154 808 HG3 GLU 102 2HG GLU 102 -21.666 18.685 7.238 809 H ALA 103 H ALA 103 -23.569 16.977 6.925 810 HA ALA 103 HA ALA 103 -25.925 17.833 5.390 811 HB1 ALA 103 1HB ALA 103 -27.222 15.828 6.032 812 HB2 ALA 103 2HB ALA 103 -25.839 15.380 5.019 813 HB3 ALA 103 3HB ALA 103 -25.774 15.113 6.775 814 H LEU 104 H LEU 104 -27.829 18.094 6.815 815 HA LEU 104 HA LEU 104 -27.344 18.509 9.681 816 HB2 LEU 104 1HB LEU 104 -27.975 20.856 9.635 817 HB3 LEU 104 2HB LEU 104 -26.470 20.591 8.787 818 HG LEU 104 HG LEU 104 -28.947 20.594 7.072 819 HD11 LEU 104 1HD1 LEU 104 -27.838 23.137 8.328 820 HD12 LEU 104 2HD1 LEU 104 -29.445 22.434 8.626 821 HD13 LEU 104 3HD1 LEU 104 -29.040 23.053 7.019 822 HD21 LEU 104 1HD2 LEU 104 -27.507 21.880 5.558 823 HD22 LEU 104 2HD2 LEU 104 -26.679 20.406 6.072 824 HD23 LEU 104 3HD2 LEU 104 -26.235 21.964 6.797 825 H LYS 105 H LYS 105 -29.274 19.137 10.851 826 HA LYS 105 HA LYS 105 -31.620 17.627 10.015 827 HB2 LYS 105 1HB LYS 105 -31.134 19.439 12.418 828 HB3 LYS 105 2HB LYS 105 -32.569 18.437 12.177 829 HG2 LYS 105 1HG LYS 105 -31.095 16.403 12.069 830 HG3 LYS 105 2HG LYS 105 -29.713 17.410 12.502 831 HD2 LYS 105 1HD LYS 105 -32.233 16.983 14.167 832 HD3 LYS 105 2HD LYS 105 -30.689 16.194 14.449 833 HE2 LYS 105 1HE LYS 105 -31.154 19.211 14.612 834 HE3 LYS 105 2HE LYS 105 -31.199 18.113 15.988 835 HZ1 LYS 105 1HZ LYS 105 -28.808 18.572 14.285 836 HZ2 LYS 105 2HZ LYS 105 -28.877 17.536 15.548 837 HZ3 LYS 105 3HZ LYS 105 -29.026 19.139 15.798 838 H ASP 106 H ASP 106 -33.751 18.384 9.852 839 HA ASP 106 HA ASP 106 -34.156 20.849 8.354 840 HB2 ASP 106 1HB ASP 106 -36.154 18.915 9.581 841 HB3 ASP 106 2HB ASP 106 -36.551 20.230 8.479 842 H LEU 107 H LEU 107 -35.626 22.558 8.953 843 HA LEU 107 HA LEU 107 -36.196 23.046 11.785 844 HB2 LEU 107 1HB LEU 107 -34.981 25.151 11.915 845 HB3 LEU 107 2HB LEU 107 -33.920 23.795 11.624 846 HG LEU 107 HG LEU 107 -33.962 24.512 9.109 847 HD11 LEU 107 1HD1 LEU 107 -34.919 27.092 10.438 848 HD12 LEU 107 2HD1 LEU 107 -35.755 26.196 9.149 849 HD13 LEU 107 3HD1 LEU 107 -34.221 26.981 8.809 850 HD21 LEU 107 1HD2 LEU 107 -32.637 26.257 11.223 851 HD22 LEU 107 2HD2 LEU 107 -32.136 26.108 9.522 852 HD23 LEU 107 3HD2 LEU 107 -32.018 24.710 10.599 853 H ALA 108 H ALA 108 -37.357 25.144 12.094 854 HA ALA 108 HA ALA 108 -38.934 26.127 9.811 855 HB1 ALA 108 1HB ALA 108 -40.210 24.732 12.210 856 HB2 ALA 108 2HB ALA 108 -41.078 25.556 10.897 857 HB3 ALA 108 3HB ALA 108 -40.144 24.093 10.552 858 H SER 109 H SER 109 -40.442 27.903 10.515 859 HA SER 109 HA SER 109 -39.678 29.380 12.962 860 HB2 SER 109 1HB SER 109 -37.991 30.032 11.288 861 HB3 SER 109 2HB SER 109 -39.278 30.516 10.170 862 HG SER 109 HG SER 109 -38.369 32.264 11.414 863 H LEU 110 H LEU 110 -40.982 31.285 13.325 864 HA LEU 110 HA LEU 110 -43.816 30.946 12.616 865 HB2 LEU 110 1HB LEU 110 -42.403 33.062 14.287 866 HB3 LEU 110 2HB LEU 110 -44.145 32.836 14.174 867 HG LEU 110 HG LEU 110 -42.176 30.843 15.387 868 HD11 LEU 110 1HD1 LEU 110 -43.239 31.457 17.509 869 HD12 LEU 110 2HD1 LEU 110 -44.277 32.635 16.673 870 HD13 LEU 110 3HD1 LEU 110 -42.517 32.878 16.738 871 HD21 LEU 110 1HD2 LEU 110 -45.223 30.766 15.222 872 HD22 LEU 110 2HD2 LEU 110 -44.215 29.672 16.198 873 HD23 LEU 110 3HD2 LEU 110 -44.094 29.636 14.437 874 H SER 111 H SER 111 -41.240 32.450 11.043 875 HA SER 111 HA SER 111 -42.467 34.856 10.061 876 HB2 SER 111 1HB SER 111 -40.608 34.852 8.468 877 HB3 SER 111 2HB SER 111 -40.042 34.478 10.104 878 HG SER 111 HG SER 111 -39.162 33.075 8.480 879 H ARG 112 H ARG 112 -43.076 31.589 9.215 880 HA ARG 112 HA ARG 112 -43.744 31.810 6.427 881 HB2 ARG 112 1HB ARG 112 -44.661 29.890 8.603 882 HB3 ARG 112 2HB ARG 112 -45.053 29.690 6.895 883 HG2 ARG 112 1HG ARG 112 -42.716 29.462 6.282 884 HG3 ARG 112 2HG ARG 112 -42.180 29.814 7.932 885 HD2 ARG 112 1HD ARG 112 -43.923 27.440 7.157 886 HD3 ARG 112 2HD ARG 112 -42.161 27.375 7.351 887 HE ARG 112 HE ARG 112 -42.949 28.463 9.733 888 HH11 ARG 112 1HH1 ARG 112 -43.959 25.487 8.171 889 HH12 ARG 112 2HH1 ARG 112 -44.393 24.749 9.690 890 HH21 ARG 112 1HH2 ARG 112 -43.518 27.506 11.574 891 HH22 ARG 112 2HH2 ARG 112 -44.141 25.876 11.591 892 H ASP 113 H ASP 113 -45.694 31.895 5.383 893 HA ASP 113 HA ASP 113 -47.731 33.701 6.415 894 HB2 ASP 113 1HB ASP 113 -46.973 33.781 4.100 895 HB3 ASP 113 2HB ASP 113 -47.482 32.118 3.831 Start of MODEL 20 1 H1 GLY 0 1H GLY 0 17.487 -20.505 -29.838 2 H2 GLY 0 2H GLY 0 16.672 -20.229 -28.443 3 H3 GLY 0 3H GLY 0 18.258 -20.625 -28.396 4 HA2 GLY 0 1HA GLY 0 18.875 -18.574 -29.488 5 HA3 GLY 0 2HA GLY 0 17.157 -18.146 -29.551 6 H MET 1 H MET 1 18.841 -16.379 -28.396 7 HA MET 1 HA MET 1 19.203 -16.678 -25.569 8 HB2 MET 1 1HB MET 1 19.792 -14.341 -25.577 9 HB3 MET 1 2HB MET 1 20.514 -15.130 -26.974 10 HG2 MET 1 1HG MET 1 18.713 -14.209 -28.416 11 HG3 MET 1 2HG MET 1 17.991 -13.412 -27.020 12 HE1 MET 1 1HE MET 1 18.823 -11.291 -25.876 13 HE2 MET 1 2HE MET 1 20.328 -12.096 -25.376 14 HE3 MET 1 3HE MET 1 20.392 -10.515 -26.180 15 HA PRO 2 HA PRO 2 15.145 -15.562 -24.016 16 HB2 PRO 2 1HB PRO 2 15.716 -14.404 -21.597 17 HB3 PRO 2 2HB PRO 2 15.886 -16.159 -21.911 18 HG2 PRO 2 1HG PRO 2 18.050 -14.030 -22.030 19 HG3 PRO 2 2HG PRO 2 18.096 -15.604 -21.172 20 HD2 PRO 2 1HD PRO 2 19.200 -15.297 -23.628 21 HD3 PRO 2 2HD PRO 2 18.342 -16.804 -23.195 22 HA PRO 3 HA PRO 3 14.581 -11.301 -25.219 23 HB2 PRO 3 1HB PRO 3 12.144 -10.670 -24.144 24 HB3 PRO 3 2HB PRO 3 12.343 -11.839 -25.486 25 HG2 PRO 3 1HG PRO 3 12.104 -12.439 -22.516 26 HG3 PRO 3 2HG PRO 3 11.186 -13.177 -23.869 27 HD2 PRO 3 1HD PRO 3 13.392 -14.371 -22.810 28 HD3 PRO 3 2HD PRO 3 13.051 -14.447 -24.565 29 HA PRO 4 HA PRO 4 15.885 -8.667 -21.789 30 HB2 PRO 4 1HB PRO 4 15.242 -6.173 -22.690 31 HB3 PRO 4 2HB PRO 4 16.546 -7.157 -23.425 32 HG2 PRO 4 1HG PRO 4 13.668 -6.886 -24.364 33 HG3 PRO 4 2HG PRO 4 15.166 -6.701 -25.333 34 HD2 PRO 4 1HD PRO 4 13.773 -9.038 -25.274 35 HD3 PRO 4 2HD PRO 4 15.561 -9.029 -25.339 36 H ALA 5 H ALA 5 15.042 -7.207 -20.138 37 HA ALA 5 HA ALA 5 12.131 -6.825 -19.920 38 HB1 ALA 5 1HB ALA 5 12.499 -9.068 -18.944 39 HB2 ALA 5 2HB ALA 5 13.726 -8.396 -17.845 40 HB3 ALA 5 3HB ALA 5 12.026 -7.897 -17.699 41 H ASP 6 H ASP 6 11.505 -5.282 -18.353 42 HA ASP 6 HA ASP 6 13.624 -3.344 -17.600 43 HB2 ASP 6 1HB ASP 6 11.851 -1.660 -17.714 44 HB3 ASP 6 2HB ASP 6 12.017 -2.537 -19.226 45 H ILE 7 H ILE 7 12.348 -5.733 -16.041 46 HA ILE 7 HA ILE 7 11.341 -4.516 -13.576 47 HB ILE 7 HB ILE 7 12.350 -7.336 -14.096 48 HG12 ILE 7 1HG1 ILE 7 9.525 -6.183 -14.190 49 HG13 ILE 7 2HG1 ILE 7 10.443 -6.820 -15.548 50 HG21 ILE 7 1HG2 ILE 7 11.167 -7.958 -12.032 51 HG22 ILE 7 2HG2 ILE 7 12.373 -6.743 -11.685 52 HG23 ILE 7 3HG2 ILE 7 10.660 -6.275 -11.788 53 HD11 ILE 7 1HD1 ILE 7 8.832 -8.462 -14.948 54 HD12 ILE 7 2HD1 ILE 7 10.421 -9.084 -14.460 55 HD13 ILE 7 3HD1 ILE 7 9.295 -8.424 -13.243 56 H VAL 8 H VAL 8 12.482 -3.990 -11.774 57 HA VAL 8 HA VAL 8 15.461 -4.235 -11.860 58 HB VAL 8 HB VAL 8 15.548 -1.937 -10.878 59 HG11 VAL 8 1HG1 VAL 8 14.521 -2.210 -13.726 60 HG12 VAL 8 2HG1 VAL 8 15.445 -0.848 -13.075 61 HG13 VAL 8 3HG1 VAL 8 16.197 -2.449 -13.191 62 HG21 VAL 8 1HG2 VAL 8 13.213 -1.547 -10.260 63 HG22 VAL 8 2HG2 VAL 8 13.736 -0.359 -11.457 64 HG23 VAL 8 3HG2 VAL 8 12.703 -1.703 -11.957 65 H LYS 9 H LYS 9 16.363 -5.127 -10.222 66 HA LYS 9 HA LYS 9 15.008 -5.712 -7.716 67 HB2 LYS 9 1HB LYS 9 16.682 -7.186 -8.850 68 HB3 LYS 9 2HB LYS 9 17.943 -6.004 -8.473 69 HG2 LYS 9 1HG LYS 9 17.537 -6.334 -6.048 70 HG3 LYS 9 2HG LYS 9 16.203 -7.449 -6.415 71 HD2 LYS 9 1HD LYS 9 17.794 -8.976 -7.553 72 HD3 LYS 9 2HD LYS 9 19.128 -7.859 -7.190 73 HE2 LYS 9 1HE LYS 9 18.695 -8.134 -4.761 74 HE3 LYS 9 2HE LYS 9 17.357 -9.236 -5.117 75 HZ1 LYS 9 1HZ LYS 9 20.204 -9.729 -5.826 76 HZ2 LYS 9 2HZ LYS 9 18.968 -10.745 -6.160 77 HZ3 LYS 9 3HZ LYS 9 19.396 -10.460 -4.612 78 H VAL 10 H VAL 10 15.180 -4.758 -5.764 79 HA VAL 10 HA VAL 10 16.979 -2.419 -5.367 80 HB VAL 10 HB VAL 10 15.176 -1.077 -4.451 81 HG11 VAL 10 1HG1 VAL 10 14.350 -1.962 -7.237 82 HG12 VAL 10 2HG1 VAL 10 14.138 -0.376 -6.472 83 HG13 VAL 10 3HG1 VAL 10 15.761 -0.939 -6.897 84 HG21 VAL 10 1HG2 VAL 10 12.805 -1.649 -4.752 85 HG22 VAL 10 2HG2 VAL 10 13.245 -3.244 -5.384 86 HG23 VAL 10 3HG2 VAL 10 13.603 -2.812 -3.699 87 H ALA 11 H ALA 11 17.266 -1.776 -3.190 88 HA ALA 11 HA ALA 11 16.546 -3.816 -1.107 89 HB1 ALA 11 1HB ALA 11 18.980 -3.790 -1.626 90 HB2 ALA 11 2HB ALA 11 19.034 -2.059 -1.247 91 HB3 ALA 11 3HB ALA 11 18.634 -3.235 0.024 92 H ILE 12 H ILE 12 15.033 -3.015 0.249 93 HA ILE 12 HA ILE 12 14.678 -0.067 0.405 94 HB ILE 12 HB ILE 12 12.714 -2.251 1.097 95 HG12 ILE 12 1HG1 ILE 12 12.723 -0.503 -1.407 96 HG13 ILE 12 2HG1 ILE 12 13.392 -2.135 -1.386 97 HG21 ILE 12 1HG2 ILE 12 11.055 -0.417 1.110 98 HG22 ILE 12 2HG2 ILE 12 12.323 -0.042 2.253 99 HG23 ILE 12 3HG2 ILE 12 12.311 0.755 0.670 100 HD11 ILE 12 1HD1 ILE 12 11.242 -3.068 -0.693 101 HD12 ILE 12 2HD1 ILE 12 10.521 -1.444 -0.771 102 HD13 ILE 12 3HD1 ILE 12 11.146 -2.196 -2.245 103 H GLU 13 H GLU 13 15.194 0.993 2.112 104 HA GLU 13 HA GLU 13 15.864 -0.253 4.685 105 HB2 GLU 13 1HB GLU 13 15.972 2.578 3.592 106 HB3 GLU 13 2HB GLU 13 16.392 2.206 5.254 107 HG2 GLU 13 1HG GLU 13 17.768 0.858 2.885 108 HG3 GLU 13 2HG GLU 13 18.284 2.407 3.542 109 H TRP 14 H TRP 14 14.882 -0.009 6.598 110 HA TRP 14 HA TRP 14 12.842 1.969 7.110 111 HB2 TRP 14 1HB TRP 14 11.454 0.196 6.125 112 HB3 TRP 14 2HB TRP 14 12.098 -0.971 7.280 113 HD1 TRP 14 HD TRP 14 10.887 -1.159 9.537 114 HE1 TRP 14 1HE TRP 14 9.014 0.099 10.757 115 HE3 TRP 14 3HE TRP 14 10.362 2.794 6.332 116 HZ2 TRP 14 2HZ TRP 14 7.479 2.525 10.387 117 HZ3 TRP 14 3HZ TRP 14 8.686 4.572 6.791 118 HH2 TRP 14 HH TRP 14 7.245 4.450 8.812 119 HA PRO 15 HA PRO 15 15.101 1.706 10.915 120 HB2 PRO 15 1HB PRO 15 12.546 2.566 12.278 121 HB3 PRO 15 2HB PRO 15 14.210 3.197 12.495 122 HG2 PRO 15 1HG PRO 15 12.464 4.558 10.959 123 HG3 PRO 15 2HG PRO 15 14.140 4.301 10.363 124 HD2 PRO 15 1HD PRO 15 11.638 2.738 9.676 125 HD3 PRO 15 2HD PRO 15 12.883 3.406 8.578 126 H GLY 16 H GLY 16 15.544 0.371 12.644 127 HA2 GLY 16 1HA GLY 16 15.382 -1.350 14.154 128 HA3 GLY 16 2HA GLY 16 13.626 -1.282 14.004 129 H ALA 17 H ALA 17 15.174 -1.846 10.977 130 HA ALA 17 HA ALA 17 15.082 -4.802 11.188 131 HB1 ALA 17 1HB ALA 17 13.430 -3.173 9.206 132 HB2 ALA 17 2HB ALA 17 13.553 -4.945 9.271 133 HB3 ALA 17 3HB ALA 17 12.783 -4.063 10.605 134 H TYR 18 H TYR 18 15.992 -5.913 9.387 135 HA TYR 18 HA TYR 18 18.277 -4.653 8.127 136 HB2 TYR 18 1HB TYR 18 16.956 -7.346 7.648 137 HB3 TYR 18 2HB TYR 18 18.520 -6.856 7.011 138 HD1 TYR 18 1HD TYR 18 20.375 -6.195 8.706 139 HD2 TYR 18 2HD TYR 18 16.824 -8.408 9.779 140 HE1 TYR 18 1HE TYR 18 21.505 -7.011 10.769 141 HE2 TYR 18 2HE TYR 18 17.960 -9.219 11.844 142 HH TYR 18 HH TYR 18 21.325 -8.287 12.663 143 HA PRO 19 HA PRO 19 16.399 -3.139 4.430 144 HB2 PRO 19 1HB PRO 19 18.614 -4.396 2.820 145 HB3 PRO 19 2HB PRO 19 18.015 -2.708 2.801 146 HG2 PRO 19 1HG PRO 19 20.317 -3.342 4.096 147 HG3 PRO 19 2HG PRO 19 19.144 -2.210 4.843 148 HD2 PRO 19 1HD PRO 19 19.514 -5.164 5.407 149 HD3 PRO 19 2HD PRO 19 19.342 -3.799 6.553 150 H LYS 20 H LYS 20 14.724 -3.830 3.221 151 HA LYS 20 HA LYS 20 14.295 -6.717 2.717 152 HB2 LYS 20 1HB LYS 20 12.464 -5.493 3.618 153 HB3 LYS 20 2HB LYS 20 12.552 -4.255 2.358 154 HG2 LYS 20 1HG LYS 20 11.740 -5.734 0.681 155 HG3 LYS 20 2HG LYS 20 12.013 -7.171 1.687 156 HD2 LYS 20 1HD LYS 20 10.236 -6.550 3.201 157 HD3 LYS 20 2HD LYS 20 10.011 -4.981 2.399 158 HE2 LYS 20 1HE LYS 20 9.204 -6.004 0.386 159 HE3 LYS 20 2HE LYS 20 9.706 -7.617 0.899 160 HZ1 LYS 20 1HZ LYS 20 7.667 -6.086 2.417 161 HZ2 LYS 20 2HZ LYS 20 7.981 -7.704 2.479 162 HZ3 LYS 20 3HZ LYS 20 7.248 -7.048 1.170 163 H LEU 21 H LEU 21 15.339 -7.561 1.060 164 HA LEU 21 HA LEU 21 15.807 -6.152 -1.472 165 HB2 LEU 21 1HB LEU 21 16.218 -9.026 -0.568 166 HB3 LEU 21 2HB LEU 21 16.597 -8.465 -2.193 167 HG LEU 21 HG LEU 21 17.848 -7.213 0.291 168 HD11 LEU 21 1HD1 LEU 21 18.428 -9.601 0.228 169 HD12 LEU 21 2HD1 LEU 21 19.829 -8.599 -0.182 170 HD13 LEU 21 3HD1 LEU 21 18.940 -9.449 -1.468 171 HD21 LEU 21 1HD2 LEU 21 18.722 -7.250 -2.634 172 HD22 LEU 21 2HD2 LEU 21 19.547 -6.427 -1.292 173 HD23 LEU 21 3HD2 LEU 21 17.951 -5.877 -1.821 174 H MET 22 H MET 22 14.451 -6.069 -3.158 175 HA MET 22 HA MET 22 12.520 -8.189 -3.721 176 HB2 MET 22 1HB MET 22 10.520 -7.005 -3.432 177 HB3 MET 22 2HB MET 22 11.418 -6.724 -1.956 178 HG2 MET 22 1HG MET 22 10.751 -4.606 -2.287 179 HG3 MET 22 2HG MET 22 12.226 -4.531 -3.236 180 HE1 MET 22 1HE MET 22 7.887 -4.861 -4.851 181 HE2 MET 22 2HE MET 22 8.597 -5.970 -3.674 182 HE3 MET 22 3HE MET 22 8.272 -4.284 -3.212 183 H GLU 23 H GLU 23 11.051 -7.358 -5.711 184 HA GLU 23 HA GLU 23 12.838 -5.937 -7.642 185 HB2 GLU 23 1HB GLU 23 11.347 -8.545 -7.993 186 HB3 GLU 23 2HB GLU 23 11.843 -7.533 -9.356 187 HG2 GLU 23 1HG GLU 23 14.174 -7.722 -8.783 188 HG3 GLU 23 2HG GLU 23 13.803 -8.493 -7.241 189 H ILE 24 H ILE 24 11.988 -4.192 -8.363 190 HA ILE 24 HA ILE 24 9.080 -3.656 -8.277 191 HB ILE 24 HB ILE 24 11.542 -1.979 -8.840 192 HG12 ILE 24 1HG1 ILE 24 9.389 -1.947 -6.682 193 HG13 ILE 24 2HG1 ILE 24 11.047 -2.503 -6.495 194 HG21 ILE 24 1HG2 ILE 24 9.765 -1.202 -10.411 195 HG22 ILE 24 2HG2 ILE 24 8.663 -0.996 -9.030 196 HG23 ILE 24 3HG2 ILE 24 10.132 -0.016 -9.182 197 HD11 ILE 24 1HD1 ILE 24 11.847 -0.181 -6.976 198 HD12 ILE 24 2HD1 ILE 24 10.149 0.365 -6.930 199 HD13 ILE 24 3HD1 ILE 24 10.888 -0.351 -5.493 200 H ASP 25 H ASP 25 7.935 -4.515 -9.858 201 HA ASP 25 HA ASP 25 8.940 -4.701 -12.630 202 HB2 ASP 25 1HB ASP 25 7.514 -6.490 -11.737 203 HB3 ASP 25 2HB ASP 25 6.222 -5.332 -11.431 204 H GLN 26 H GLN 26 8.945 -2.945 -13.881 205 HA GLN 26 HA GLN 26 7.670 -0.503 -13.132 206 HB2 GLN 26 1HB GLN 26 8.950 -1.291 -15.750 207 HB3 GLN 26 2HB GLN 26 8.519 0.355 -15.287 208 HG2 GLN 26 1HG GLN 26 10.532 -1.364 -13.749 209 HG3 GLN 26 2HG GLN 26 10.941 -0.248 -15.038 210 HE21 GLN 26 1HE2 GLN 26 12.289 1.016 -13.657 211 HE22 GLN 26 2HE2 GLN 26 11.571 2.103 -12.474 212 H LYS 27 H LYS 27 6.263 -3.196 -14.746 213 HA LYS 27 HA LYS 27 4.102 -1.572 -15.978 214 HB2 LYS 27 1HB LYS 27 4.534 -4.571 -15.815 215 HB3 LYS 27 2HB LYS 27 3.067 -3.820 -16.421 216 HG2 LYS 27 1HG LYS 27 4.181 -4.122 -18.397 217 HG3 LYS 27 2HG LYS 27 4.578 -2.452 -18.022 218 HD2 LYS 27 1HD LYS 27 6.591 -3.473 -18.777 219 HD3 LYS 27 2HD LYS 27 6.785 -3.314 -17.040 220 HE2 LYS 27 1HE LYS 27 5.584 -5.781 -17.183 221 HE3 LYS 27 2HE LYS 27 6.431 -5.758 -18.738 222 HZ1 LYS 27 1HZ LYS 27 7.899 -6.658 -17.086 223 HZ2 LYS 27 2HZ LYS 27 7.578 -5.439 -16.031 224 HZ3 LYS 27 3HZ LYS 27 8.463 -5.130 -17.383 225 H LYS 28 H LYS 28 4.679 -3.158 -12.901 226 HA LYS 28 HA LYS 28 1.826 -3.269 -12.154 227 HB2 LYS 28 1HB LYS 28 4.417 -3.885 -10.691 228 HB3 LYS 28 2HB LYS 28 2.873 -3.751 -9.835 229 HG2 LYS 28 1HG LYS 28 1.889 -5.494 -11.286 230 HG3 LYS 28 2HG LYS 28 3.420 -5.633 -12.164 231 HD2 LYS 28 1HD LYS 28 3.310 -7.445 -10.602 232 HD3 LYS 28 2HD LYS 28 4.544 -6.318 -10.017 233 HE2 LYS 28 1HE LYS 28 2.928 -5.376 -8.388 234 HE3 LYS 28 2HE LYS 28 1.658 -6.434 -9.018 235 HZ1 LYS 28 1HZ LYS 28 2.670 -7.346 -7.007 236 HZ2 LYS 28 2HZ LYS 28 4.144 -7.355 -7.672 237 HZ3 LYS 28 3HZ LYS 28 2.978 -8.345 -8.269 238 HA PRO 29 HA PRO 29 1.626 0.931 -10.692 239 HB2 PRO 29 1HB PRO 29 -0.443 0.782 -8.894 240 HB3 PRO 29 2HB PRO 29 -0.685 0.681 -10.656 241 HG2 PRO 29 1HG PRO 29 -0.525 -1.581 -8.676 242 HG3 PRO 29 2HG PRO 29 -1.695 -1.363 -10.010 243 HD2 PRO 29 1HD PRO 29 0.501 -2.975 -10.203 244 HD3 PRO 29 2HD PRO 29 -0.146 -2.081 -11.605 245 H LEU 30 H LEU 30 2.518 2.159 -9.092 246 HA LEU 30 HA LEU 30 4.184 0.907 -7.145 247 HB2 LEU 30 1HB LEU 30 3.141 3.738 -7.473 248 HB3 LEU 30 2HB LEU 30 4.263 3.309 -6.182 249 HG LEU 30 HG LEU 30 4.912 2.720 -9.095 250 HD11 LEU 30 1HD1 LEU 30 5.524 5.218 -7.482 251 HD12 LEU 30 2HD1 LEU 30 4.456 5.088 -8.902 252 HD13 LEU 30 3HD1 LEU 30 6.198 4.816 -9.082 253 HD21 LEU 30 1HD2 LEU 30 6.666 3.108 -6.627 254 HD22 LEU 30 2HD2 LEU 30 7.236 2.769 -8.277 255 HD23 LEU 30 3HD2 LEU 30 6.304 1.550 -7.401 256 H SER 31 H SER 31 0.801 1.996 -6.837 257 HA SER 31 HA SER 31 0.606 1.894 -3.993 258 HB2 SER 31 1HB SER 31 -1.817 1.550 -4.415 259 HB3 SER 31 2HB SER 31 -1.131 2.888 -5.353 260 HG SER 31 HG SER 31 -2.486 1.520 -6.619 261 H ALA 32 H ALA 32 0.100 -0.726 -6.424 262 HA ALA 32 HA ALA 32 -0.407 -2.789 -4.475 263 HB1 ALA 32 1HB ALA 32 0.669 -3.000 -7.328 264 HB2 ALA 32 2HB ALA 32 -0.018 -4.322 -6.365 265 HB3 ALA 32 3HB ALA 32 -1.048 -2.966 -6.858 266 H ILE 33 H ILE 33 2.600 -1.677 -6.067 267 HA ILE 33 HA ILE 33 4.346 -3.651 -4.926 268 HB ILE 33 HB ILE 33 4.858 -0.850 -5.979 269 HG12 ILE 33 1HG1 ILE 33 5.344 -3.600 -7.218 270 HG13 ILE 33 2HG1 ILE 33 3.958 -2.589 -7.586 271 HG21 ILE 33 1HG2 ILE 33 6.927 -2.992 -5.360 272 HG22 ILE 33 2HG2 ILE 33 7.236 -1.395 -6.074 273 HG23 ILE 33 3HG2 ILE 33 6.694 -1.510 -4.412 274 HD11 ILE 33 1HD1 ILE 33 5.526 -2.314 -9.353 275 HD12 ILE 33 2HD1 ILE 33 5.527 -0.804 -8.420 276 HD13 ILE 33 3HD1 ILE 33 6.850 -1.988 -8.233 277 H ILE 34 H ILE 34 3.549 -0.327 -3.779 278 HA ILE 34 HA ILE 34 5.151 -0.406 -1.424 279 HB ILE 34 HB ILE 34 2.676 1.168 -2.195 280 HG12 ILE 34 1HG1 ILE 34 5.526 2.186 -1.825 281 HG13 ILE 34 2HG1 ILE 34 5.030 1.460 -3.345 282 HG21 ILE 34 1HG2 ILE 34 4.417 1.564 0.281 283 HG22 ILE 34 2HG2 ILE 34 3.180 2.700 -0.304 284 HG23 ILE 34 3HG2 ILE 34 2.698 1.114 0.262 285 HD11 ILE 34 1HD1 ILE 34 4.839 3.875 -3.488 286 HD12 ILE 34 2HD1 ILE 34 3.231 3.139 -3.611 287 HD13 ILE 34 3HD1 ILE 34 3.733 3.908 -2.103 288 H LYS 35 H LYS 35 1.769 -1.506 -1.967 289 HA LYS 35 HA LYS 35 1.296 -2.322 0.737 290 HB2 LYS 35 1HB LYS 35 -0.407 -2.034 -1.108 291 HB3 LYS 35 2HB LYS 35 0.088 -3.593 -1.753 292 HG2 LYS 35 1HG LYS 35 -0.483 -4.672 0.424 293 HG3 LYS 35 2HG LYS 35 -0.917 -3.080 1.072 294 HD2 LYS 35 1HD LYS 35 -2.660 -2.920 -0.793 295 HD3 LYS 35 2HD LYS 35 -2.265 -4.580 -1.219 296 HE2 LYS 35 1HE LYS 35 -4.278 -4.492 0.156 297 HE3 LYS 35 2HE LYS 35 -2.997 -5.376 0.987 298 HZ1 LYS 35 1HZ LYS 35 -3.543 -2.501 1.515 299 HZ2 LYS 35 2HZ LYS 35 -2.625 -3.506 2.407 300 HZ3 LYS 35 3HZ LYS 35 -4.243 -3.710 2.382 301 H GLU 36 H GLU 36 2.865 -4.063 -1.974 302 HA GLU 36 HA GLU 36 3.280 -6.515 -0.494 303 HB2 GLU 36 1HB GLU 36 4.363 -5.289 -3.052 304 HB3 GLU 36 2HB GLU 36 4.972 -6.804 -2.423 305 HG2 GLU 36 1HG GLU 36 2.820 -7.869 -2.600 306 HG3 GLU 36 2HG GLU 36 2.010 -6.336 -2.916 307 H VAL 37 H VAL 37 5.061 -3.453 -0.630 308 HA VAL 37 HA VAL 37 7.417 -4.480 0.748 309 HB VAL 37 HB VAL 37 6.434 -1.619 0.530 310 HG11 VAL 37 1HG1 VAL 37 8.701 -0.999 1.221 311 HG12 VAL 37 2HG1 VAL 37 7.941 -1.954 2.496 312 HG13 VAL 37 3HG1 VAL 37 9.138 -2.709 1.435 313 HG21 VAL 37 1HG2 VAL 37 8.209 -1.389 -1.133 314 HG22 VAL 37 2HG2 VAL 37 8.627 -3.118 -0.959 315 HG23 VAL 37 3HG2 VAL 37 7.074 -2.630 -1.640 316 H CYS 38 H CYS 38 4.718 -2.403 1.877 317 HA CYS 38 HA CYS 38 5.554 -2.259 4.556 318 HB2 CYS 38 1HB CYS 38 3.465 -1.145 4.945 319 HB3 CYS 38 2HB CYS 38 4.017 -0.729 3.346 320 HG CYS 38 HG CYS 38 1.624 -2.683 4.447 321 H ASP 39 H ASP 39 3.452 -4.734 3.108 322 HA ASP 39 HA ASP 39 2.488 -5.975 5.443 323 HB2 ASP 39 1HB ASP 39 1.797 -6.412 3.078 324 HB3 ASP 39 2HB ASP 39 3.323 -7.252 2.804 325 H GLY 40 H GLY 40 5.742 -6.125 4.080 326 HA2 GLY 40 1HA GLY 40 6.656 -8.519 5.461 327 HA3 GLY 40 2HA GLY 40 7.665 -7.271 4.720 328 H TRP 41 H TRP 41 6.404 -5.126 6.360 329 HA TRP 41 HA TRP 41 7.656 -5.662 9.021 330 HB2 TRP 41 1HB TRP 41 7.233 -3.073 7.501 331 HB3 TRP 41 2HB TRP 41 7.890 -3.188 9.132 332 HD1 TRP 41 HD TRP 41 10.050 -5.289 9.008 333 HE1 TRP 41 1HE TRP 41 12.155 -5.077 7.556 334 HE3 TRP 41 3HE TRP 41 8.337 -1.902 5.563 335 HZ2 TRP 41 2HZ TRP 41 13.019 -3.583 5.261 336 HZ3 TRP 41 3HZ TRP 41 9.848 -1.090 3.758 337 HH2 TRP 41 HH TRP 41 12.166 -1.924 3.595 338 H SER 42 H SER 42 4.763 -6.079 7.868 339 HA SER 42 HA SER 42 2.613 -5.906 8.499 340 HB2 SER 42 1HB SER 42 3.735 -5.661 11.307 341 HB3 SER 42 2HB SER 42 2.090 -6.150 10.865 342 HG SER 42 HG SER 42 3.457 -7.951 11.272 343 H LEU 43 H LEU 43 3.754 -3.380 7.663 344 HA LEU 43 HA LEU 43 2.700 -1.289 9.444 345 HB2 LEU 43 1HB LEU 43 4.177 -1.393 6.819 346 HB3 LEU 43 2HB LEU 43 3.560 0.133 7.429 347 HG LEU 43 HG LEU 43 5.493 -1.688 8.938 348 HD11 LEU 43 1HD1 LEU 43 7.261 -0.222 8.203 349 HD12 LEU 43 2HD1 LEU 43 6.112 0.812 7.323 350 HD13 LEU 43 3HD1 LEU 43 6.425 -0.856 6.788 351 HD21 LEU 43 1HD2 LEU 43 4.736 1.237 9.364 352 HD22 LEU 43 2HD2 LEU 43 5.994 0.349 10.251 353 HD23 LEU 43 3HD2 LEU 43 4.302 -0.120 10.431 354 H ALA 44 H ALA 44 0.691 -0.614 9.417 355 HA ALA 44 HA ALA 44 -1.250 -1.547 7.477 356 HB1 ALA 44 1HB ALA 44 -2.845 -0.426 8.987 357 HB2 ALA 44 2HB ALA 44 -1.698 -1.414 9.907 358 HB3 ALA 44 3HB ALA 44 -1.505 0.354 9.849 359 H ASN 45 H ASN 45 -2.876 -0.098 6.550 360 HA ASN 45 HA ASN 45 -3.527 1.473 5.048 361 HB2 ASN 45 1HB ASN 45 -2.169 3.363 6.994 362 HB3 ASN 45 2HB ASN 45 -3.449 3.771 5.860 363 HD21 ASN 45 1HD2 ASN 45 -3.044 3.412 9.031 364 HD22 ASN 45 2HD2 ASN 45 -4.593 2.697 9.454 365 H HIS 46 H HIS 46 -1.860 0.383 3.563 366 HA HIS 46 HA HIS 46 0.630 1.580 2.964 367 HB2 HIS 46 1HB HIS 46 0.643 0.164 1.064 368 HB3 HIS 46 2HB HIS 46 -0.234 -0.717 2.312 369 HD2 HIS 46 2HD HIS 46 -0.691 1.070 -1.022 370 HE1 HIS 46 1HE HIS 46 -4.440 -0.777 -0.216 371 HE2 HIS 46 2HE HIS 46 -3.120 0.537 -1.930 372 H GLU 47 H GLU 47 -2.570 2.622 2.027 373 HA GLU 47 HA GLU 47 -2.068 4.311 -0.192 374 HB2 GLU 47 1HB GLU 47 -3.903 4.740 2.210 375 HB3 GLU 47 2HB GLU 47 -4.016 5.623 0.697 376 HG2 GLU 47 1HG GLU 47 -4.483 2.639 1.076 377 HG3 GLU 47 2HG GLU 47 -5.716 3.879 0.901 378 H TYR 48 H TYR 48 -1.217 4.788 3.222 379 HA TYR 48 HA TYR 48 -0.683 7.650 2.973 380 HB2 TYR 48 1HB TYR 48 0.248 5.659 5.068 381 HB3 TYR 48 2HB TYR 48 0.300 7.403 5.199 382 HD1 TYR 48 1HD TYR 48 -2.918 6.875 3.815 383 HD2 TYR 48 2HD TYR 48 -0.617 6.296 7.426 384 HE1 TYR 48 1HE TYR 48 -5.004 6.732 5.113 385 HE2 TYR 48 2HE TYR 48 -2.707 6.256 8.747 386 HH TYR 48 HH TYR 48 -5.949 6.553 7.206 387 H PHE 49 H PHE 49 1.079 4.830 2.036 388 HA PHE 49 HA PHE 49 3.720 6.001 2.652 389 HB2 PHE 49 1HB PHE 49 2.747 3.214 2.063 390 HB3 PHE 49 2HB PHE 49 4.447 3.630 1.945 391 HD1 PHE 49 1HD PHE 49 1.563 3.498 4.320 392 HD2 PHE 49 2HD PHE 49 5.828 3.956 3.861 393 HE1 PHE 49 1HE PHE 49 1.848 3.294 6.774 394 HE2 PHE 49 2HE PHE 49 6.108 3.754 6.321 395 HZ PHE 49 HZ PHE 49 4.122 3.416 7.780 396 H ALA 50 H ALA 50 5.448 5.862 1.293 397 HA ALA 50 HA ALA 50 5.169 5.496 -1.603 398 HB1 ALA 50 1HB ALA 50 4.743 7.902 -1.338 399 HB2 ALA 50 2HB ALA 50 6.196 8.070 -0.320 400 HB3 ALA 50 3HB ALA 50 6.348 7.646 -2.038 401 H LEU 51 H LEU 51 7.230 5.178 -2.602 402 HA LEU 51 HA LEU 51 9.434 4.345 -0.779 403 HB2 LEU 51 1HB LEU 51 8.734 3.820 -3.675 404 HB3 LEU 51 2HB LEU 51 10.386 3.602 -3.103 405 HG LEU 51 HG LEU 51 8.001 2.228 -1.790 406 HD11 LEU 51 1HD1 LEU 51 8.124 1.534 -4.144 407 HD12 LEU 51 2HD1 LEU 51 8.639 0.219 -3.075 408 HD13 LEU 51 3HD1 LEU 51 9.854 1.169 -3.959 409 HD21 LEU 51 1HD2 LEU 51 9.706 0.685 -0.932 410 HD22 LEU 51 2HD2 LEU 51 10.078 2.324 -0.413 411 HD23 LEU 51 3HD2 LEU 51 10.991 1.598 -1.753 412 H GLN 52 H GLN 52 11.525 5.234 -1.098 413 HA GLN 52 HA GLN 52 11.755 7.739 -2.685 414 HB2 GLN 52 1HB GLN 52 10.831 8.251 -0.408 415 HB3 GLN 52 2HB GLN 52 12.277 7.524 0.308 416 HG2 GLN 52 1HG GLN 52 13.654 9.284 -0.888 417 HG3 GLN 52 2HG GLN 52 12.145 9.971 -1.498 418 HE21 GLN 52 1HE2 GLN 52 12.659 11.976 -0.471 419 HE22 GLN 52 2HE2 GLN 52 12.620 12.130 1.268 420 H HIS 53 H HIS 53 13.874 8.326 -3.196 421 HA HIS 53 HA HIS 53 15.866 6.209 -3.294 422 HB2 HIS 53 1HB HIS 53 15.851 9.146 -4.018 423 HB3 HIS 53 2HB HIS 53 17.355 8.236 -3.990 424 HD2 HIS 53 2HD HIS 53 14.158 8.596 -6.055 425 HE1 HIS 53 1HE HIS 53 16.612 5.769 -8.098 426 HE2 HIS 53 2HE HIS 53 14.516 7.211 -8.267 427 H ALA 54 H ALA 54 17.395 5.623 -1.902 428 HA ALA 54 HA ALA 54 17.980 7.244 0.504 429 HB1 ALA 54 1HB ALA 54 19.023 4.527 -0.356 430 HB2 ALA 54 2HB ALA 54 19.172 5.262 1.250 431 HB3 ALA 54 3HB ALA 54 17.573 4.783 0.650 432 H ASP 55 H ASP 55 18.992 7.426 -2.590 433 HA ASP 55 HA ASP 55 21.849 7.608 -2.480 434 HB2 ASP 55 1HB ASP 55 20.257 7.271 -4.467 435 HB3 ASP 55 2HB ASP 55 19.914 8.998 -4.379 436 H SER 56 H SER 56 22.846 9.847 -3.283 437 HA SER 56 HA SER 56 22.934 11.676 -1.167 438 HB2 SER 56 1HB SER 56 23.663 12.146 -4.081 439 HB3 SER 56 2HB SER 56 24.226 13.105 -2.698 440 HG SER 56 HG SER 56 25.746 11.496 -3.325 441 H SER 57 H SER 57 20.402 11.543 -3.455 442 HA SER 57 HA SER 57 19.263 13.978 -2.264 443 HB2 SER 57 1HB SER 57 20.102 14.746 -4.452 444 HB3 SER 57 2HB SER 57 19.130 13.491 -5.252 445 HG SER 57 HG SER 57 18.021 15.500 -5.159 446 H ASN 58 H ASN 58 17.283 13.641 -1.562 447 HA ASN 58 HA ASN 58 16.207 10.902 -1.748 448 HB2 ASN 58 1HB ASN 58 15.542 13.124 0.187 449 HB3 ASN 58 2HB ASN 58 15.106 11.411 0.302 450 HD21 ASN 58 1HD2 ASN 58 17.158 9.870 0.030 451 HD22 ASN 58 2HD2 ASN 58 18.534 10.386 0.999 452 H PHE 59 H PHE 59 15.644 11.667 -4.117 453 HA PHE 59 HA PHE 59 13.108 12.990 -4.462 454 HB2 PHE 59 1HB PHE 59 14.133 10.783 -6.255 455 HB3 PHE 59 2HB PHE 59 13.094 12.130 -6.664 456 HD1 PHE 59 1HD PHE 59 14.154 14.526 -6.572 457 HD2 PHE 59 2HD PHE 59 16.430 10.861 -6.672 458 HE1 PHE 59 1HE PHE 59 16.114 15.764 -7.470 459 HE2 PHE 59 2HE PHE 59 18.387 12.102 -7.568 460 HZ PHE 59 HZ PHE 59 18.229 14.553 -7.977 461 H TYR 60 H TYR 60 11.017 12.235 -4.248 462 HA TYR 60 HA TYR 60 10.483 9.578 -3.159 463 HB2 TYR 60 1HB TYR 60 8.647 11.768 -4.178 464 HB3 TYR 60 2HB TYR 60 8.088 10.234 -3.532 465 HD1 TYR 60 1HD TYR 60 8.447 9.613 -1.155 466 HD2 TYR 60 2HD TYR 60 9.458 13.528 -2.672 467 HE1 TYR 60 1HE TYR 60 8.498 10.505 1.170 468 HE2 TYR 60 2HE TYR 60 9.537 14.405 -0.339 469 HH TYR 60 HH TYR 60 8.884 12.324 2.503 470 H ILE 61 H ILE 61 9.488 7.835 -4.212 471 HA ILE 61 HA ILE 61 9.824 7.665 -7.141 472 HB ILE 61 HB ILE 61 8.871 5.613 -5.124 473 HG12 ILE 61 1HG1 ILE 61 11.161 6.048 -4.592 474 HG13 ILE 61 2HG1 ILE 61 11.105 4.540 -5.477 475 HG21 ILE 61 1HG2 ILE 61 9.639 5.292 -8.050 476 HG22 ILE 61 2HG2 ILE 61 9.297 3.964 -6.919 477 HG23 ILE 61 3HG2 ILE 61 8.024 5.101 -7.348 478 HD11 ILE 61 1HD1 ILE 61 11.843 5.840 -7.555 479 HD12 ILE 61 2HD1 ILE 61 12.055 7.251 -6.496 480 HD13 ILE 61 3HD1 ILE 61 13.010 5.786 -6.221 481 H THR 62 H THR 62 8.242 7.874 -8.564 482 HA THR 62 HA THR 62 5.376 7.776 -7.820 483 HB THR 62 HB THR 62 4.849 9.871 -8.821 484 HG1 THR 62 1HG THR 62 6.554 11.220 -9.615 485 HG21 THR 62 1HG2 THR 62 5.893 11.546 -7.444 486 HG22 THR 62 2HG2 THR 62 7.289 10.500 -7.114 487 HG23 THR 62 3HG2 THR 62 5.684 10.084 -6.467 488 H GLU 63 H GLU 63 3.996 7.813 -9.869 489 HA GLU 63 HA GLU 63 5.034 6.022 -11.856 490 HB2 GLU 63 1HB GLU 63 2.608 7.848 -11.944 491 HB3 GLU 63 2HB GLU 63 2.922 6.536 -13.073 492 HG2 GLU 63 1HG GLU 63 2.436 6.232 -10.075 493 HG3 GLU 63 2HG GLU 63 1.267 5.928 -11.347 494 H LYS 64 H LYS 64 5.566 9.372 -11.529 495 HA LYS 64 HA LYS 64 6.400 9.735 -14.373 496 HB2 LYS 64 1HB LYS 64 6.127 11.721 -12.078 497 HB3 LYS 64 2HB LYS 64 6.650 12.116 -13.719 498 HG2 LYS 64 1HG LYS 64 4.469 11.317 -14.614 499 HG3 LYS 64 2HG LYS 64 3.917 10.991 -12.960 500 HD2 LYS 64 1HD LYS 64 4.221 13.384 -12.380 501 HD3 LYS 64 2HD LYS 64 4.759 13.716 -14.041 502 HE2 LYS 64 1HE LYS 64 2.572 12.904 -14.905 503 HE3 LYS 64 2HE LYS 64 2.038 12.577 -13.252 504 HZ1 LYS 64 1HZ LYS 64 2.253 14.962 -12.782 505 HZ2 LYS 64 2HZ LYS 64 1.232 14.730 -14.032 506 HZ3 LYS 64 3HZ LYS 64 2.748 15.263 -14.311 507 H ASN 65 H ASN 65 7.808 8.935 -11.340 508 HA ASN 65 HA ASN 65 10.530 9.762 -12.290 509 HB2 ASN 65 1HB ASN 65 9.442 11.109 -10.423 510 HB3 ASN 65 2HB ASN 65 9.527 9.664 -9.419 511 HD21 ASN 65 1HD2 ASN 65 11.121 10.237 -7.912 512 HD22 ASN 65 2HD2 ASN 65 12.733 10.751 -8.410 513 H ARG 66 H ARG 66 8.712 7.005 -11.322 514 HA ARG 66 HA ARG 66 10.694 5.356 -10.149 515 HB2 ARG 66 1HB ARG 66 9.235 3.508 -10.739 516 HB3 ARG 66 2HB ARG 66 8.285 4.873 -10.168 517 HG2 ARG 66 1HG ARG 66 7.820 5.493 -12.596 518 HG3 ARG 66 2HG ARG 66 8.641 4.003 -13.080 519 HD2 ARG 66 1HD ARG 66 6.173 4.198 -11.309 520 HD3 ARG 66 2HD ARG 66 6.188 3.759 -13.024 521 HE ARG 66 HE ARG 66 7.945 1.972 -11.766 522 HH11 ARG 66 1HH1 ARG 66 4.453 2.579 -11.837 523 HH12 ARG 66 2HH1 ARG 66 4.151 0.894 -11.420 524 HH21 ARG 66 1HH2 ARG 66 7.365 -0.034 -11.015 525 HH22 ARG 66 2HH2 ARG 66 5.677 -0.494 -11.028 526 H ASN 67 H ASN 67 10.568 6.357 -13.435 527 HA ASN 67 HA ASN 67 12.019 4.229 -14.693 528 HB2 ASN 67 1HB ASN 67 12.340 5.817 -16.473 529 HB3 ASN 67 2HB ASN 67 10.727 6.103 -15.830 530 HD21 ASN 67 1HD2 ASN 67 13.773 7.528 -16.533 531 HD22 ASN 67 2HD2 ASN 67 13.616 8.980 -15.557 532 H GLU 68 H GLU 68 13.090 6.764 -12.485 533 HA GLU 68 HA GLU 68 15.902 6.676 -13.225 534 HB2 GLU 68 1HB GLU 68 14.560 7.668 -10.684 535 HB3 GLU 68 2HB GLU 68 16.218 7.989 -11.171 536 HG2 GLU 68 1HG GLU 68 13.687 8.989 -12.526 537 HG3 GLU 68 2HG GLU 68 14.859 9.928 -11.613 538 H ILE 69 H ILE 69 13.957 4.435 -11.484 539 HA ILE 69 HA ILE 69 16.019 3.426 -9.688 540 HB ILE 69 HB ILE 69 13.443 2.129 -10.646 541 HG12 ILE 69 1HG1 ILE 69 13.944 3.675 -8.054 542 HG13 ILE 69 2HG1 ILE 69 13.063 4.316 -9.440 543 HG21 ILE 69 1HG2 ILE 69 15.137 0.530 -9.695 544 HG22 ILE 69 2HG2 ILE 69 15.167 1.500 -8.211 545 HG23 ILE 69 3HG2 ILE 69 13.692 0.646 -8.718 546 HD11 ILE 69 1HD1 ILE 69 11.412 2.432 -9.237 547 HD12 ILE 69 2HD1 ILE 69 12.208 1.984 -7.706 548 HD13 ILE 69 3HD1 ILE 69 11.444 3.558 -7.870 549 H LYS 70 H LYS 70 17.505 1.942 -10.087 550 HA LYS 70 HA LYS 70 17.443 0.262 -12.566 551 HB2 LYS 70 1HB LYS 70 19.871 1.640 -11.331 552 HB3 LYS 70 2HB LYS 70 19.925 0.476 -12.660 553 HG2 LYS 70 1HG LYS 70 18.514 2.001 -14.044 554 HG3 LYS 70 2HG LYS 70 18.552 3.198 -12.736 555 HD2 LYS 70 1HD LYS 70 21.027 3.295 -12.887 556 HD3 LYS 70 2HD LYS 70 20.985 2.120 -14.222 557 HE2 LYS 70 1HE LYS 70 19.577 3.685 -15.547 558 HE3 LYS 70 2HE LYS 70 19.618 4.851 -14.218 559 HZ1 LYS 70 1HZ LYS 70 22.037 4.991 -14.504 560 HZ2 LYS 70 2HZ LYS 70 21.289 5.371 -15.903 561 HZ3 LYS 70 3HZ LYS 70 22.000 3.913 -15.733 562 H ASN 71 H ASN 71 18.888 -1.695 -12.363 563 HA ASN 71 HA ASN 71 18.234 -3.244 -10.047 564 HB2 ASN 71 1HB ASN 71 20.264 -3.610 -12.286 565 HB3 ASN 71 2HB ASN 71 20.105 -4.766 -10.966 566 HD21 ASN 71 1HD2 ASN 71 18.908 -4.051 -14.068 567 HD22 ASN 71 2HD2 ASN 71 17.458 -5.037 -13.940 568 H GLY 72 H GLY 72 19.006 -3.259 -8.084 569 HA2 GLY 72 1HA GLY 72 20.616 -3.315 -6.369 570 HA3 GLY 72 2HA GLY 72 21.820 -2.582 -7.426 571 H THR 73 H THR 73 18.828 -0.843 -7.549 572 HA THR 73 HA THR 73 19.947 1.481 -6.243 573 HB THR 73 HB THR 73 17.064 0.888 -6.979 574 HG1 THR 73 1HG THR 73 18.438 0.947 -8.706 575 HG21 THR 73 1HG2 THR 73 18.399 3.539 -6.279 576 HG22 THR 73 2HG2 THR 73 17.107 2.737 -5.358 577 HG23 THR 73 3HG2 THR 73 16.776 3.350 -6.979 578 H ILE 74 H ILE 74 19.983 2.076 -4.143 579 HA ILE 74 HA ILE 74 18.458 0.525 -2.148 580 HB ILE 74 HB ILE 74 20.372 2.814 -1.658 581 HG12 ILE 74 1HG1 ILE 74 20.940 -0.187 -1.467 582 HG13 ILE 74 2HG1 ILE 74 21.484 0.835 -2.796 583 HG21 ILE 74 1HG2 ILE 74 20.353 1.995 0.663 584 HG22 ILE 74 2HG2 ILE 74 18.689 2.276 0.176 585 HG23 ILE 74 3HG2 ILE 74 19.317 0.625 0.209 586 HD11 ILE 74 1HD1 ILE 74 23.313 0.569 -1.297 587 HD12 ILE 74 2HD1 ILE 74 22.759 2.253 -1.214 588 HD13 ILE 74 3HD1 ILE 74 22.359 1.106 0.093 589 H LEU 75 H LEU 75 16.592 1.137 -1.388 590 HA LEU 75 HA LEU 75 15.563 3.921 -1.757 591 HB2 LEU 75 1HB LEU 75 14.035 1.299 -1.885 592 HB3 LEU 75 2HB LEU 75 13.308 2.900 -1.972 593 HG LEU 75 HG LEU 75 15.188 1.694 -4.050 594 HD11 LEU 75 1HD1 LEU 75 13.181 1.617 -5.449 595 HD12 LEU 75 2HD1 LEU 75 12.200 2.283 -4.130 596 HD13 LEU 75 3HD1 LEU 75 12.933 0.672 -3.971 597 HD21 LEU 75 1HD2 LEU 75 13.667 4.343 -4.026 598 HD22 LEU 75 2HD2 LEU 75 14.480 3.645 -5.444 599 HD23 LEU 75 3HD2 LEU 75 15.434 4.129 -4.043 600 H ARG 76 H ARG 76 13.783 4.395 -0.190 601 HA ARG 76 HA ARG 76 13.858 2.899 2.391 602 HB2 ARG 76 1HB ARG 76 15.115 5.196 2.334 603 HB3 ARG 76 2HB ARG 76 13.512 5.910 2.150 604 HG2 ARG 76 1HG ARG 76 12.955 4.448 4.323 605 HG3 ARG 76 2HG ARG 76 14.714 4.396 4.460 606 HD2 ARG 76 1HD ARG 76 14.675 6.946 4.270 607 HD3 ARG 76 2HD ARG 76 12.918 6.867 4.401 608 HE ARG 76 HE ARG 76 14.892 6.596 6.515 609 HH11 ARG 76 1HH1 ARG 76 11.577 5.535 5.824 610 HH12 ARG 76 2HH1 ARG 76 11.152 5.647 7.502 611 HH21 ARG 76 1HH2 ARG 76 14.216 6.708 8.594 612 HH22 ARG 76 2HH2 ARG 76 12.574 6.318 9.006 613 H LEU 77 H LEU 77 11.868 2.543 3.295 614 HA LEU 77 HA LEU 77 9.430 3.378 1.821 615 HB2 LEU 77 1HB LEU 77 9.517 1.119 2.706 616 HB3 LEU 77 2HB LEU 77 9.879 1.712 4.327 617 HG LEU 77 HG LEU 77 7.596 2.806 4.303 618 HD11 LEU 77 1HD1 LEU 77 7.335 1.119 1.756 619 HD12 LEU 77 2HD1 LEU 77 7.176 2.886 1.861 620 HD13 LEU 77 3HD1 LEU 77 5.965 1.837 2.616 621 HD21 LEU 77 1HD2 LEU 77 8.013 0.648 5.402 622 HD22 LEU 77 2HD2 LEU 77 7.621 -0.195 3.888 623 HD23 LEU 77 3HD2 LEU 77 6.375 0.748 4.730 624 H THR 78 H THR 78 8.067 5.043 2.499 625 HA THR 78 HA THR 78 8.468 6.404 5.084 626 HB THR 78 HB THR 78 10.283 7.332 3.763 627 HG1 THR 78 1HG THR 78 9.380 8.825 5.044 628 HG21 THR 78 1HG2 THR 78 9.557 6.978 1.466 629 HG22 THR 78 2HG2 THR 78 9.889 8.683 1.741 630 HG23 THR 78 3HG2 THR 78 8.205 8.114 1.677 631 H THR 79 H THR 79 6.748 8.015 5.534 632 HA THR 79 HA THR 79 4.273 7.480 4.046 633 HB THR 79 HB THR 79 3.266 9.192 5.542 634 HG1 THR 79 1HG THR 79 4.436 9.608 7.458 635 HG21 THR 79 1HG2 THR 79 3.067 7.679 7.435 636 HG22 THR 79 2HG2 THR 79 4.495 6.763 6.883 637 HG23 THR 79 3HG2 THR 79 3.001 6.787 5.919 638 H SER 80 H SER 80 3.284 8.741 2.648 639 HA SER 80 HA SER 80 4.973 10.199 0.894 640 HB2 SER 80 1HB SER 80 3.195 8.701 0.162 641 HB3 SER 80 2HB SER 80 1.967 9.734 0.909 642 HG SER 80 HG SER 80 2.374 9.992 -1.433 643 HA PRO 81 HA PRO 81 3.918 14.492 1.993 644 HB2 PRO 81 1HB PRO 81 4.521 15.764 -0.354 645 HB3 PRO 81 2HB PRO 81 5.768 15.151 0.771 646 HG2 PRO 81 1HG PRO 81 4.672 13.777 -1.707 647 HG3 PRO 81 2HG PRO 81 6.387 14.046 -1.253 648 HD2 PRO 81 1HD PRO 81 5.151 11.697 -0.738 649 HD3 PRO 81 2HD PRO 81 6.290 12.400 0.442 650 H ALA 82 H ALA 82 2.442 12.556 -0.513 651 HA ALA 82 HA ALA 82 0.282 14.466 -1.083 652 HB1 ALA 82 1HB ALA 82 0.775 11.660 -2.146 653 HB2 ALA 82 2HB ALA 82 -0.350 12.868 -2.796 654 HB3 ALA 82 3HB ALA 82 1.395 13.159 -2.879 655 H GLN 83 H GLN 83 0.633 12.823 1.634 656 HA GLN 83 HA GLN 83 -1.720 11.244 1.989 657 HB2 GLN 83 1HB GLN 83 0.008 12.880 3.863 658 HB3 GLN 83 2HB GLN 83 -1.430 12.048 4.450 659 HG2 GLN 83 1HG GLN 83 -0.586 9.885 3.853 660 HG3 GLN 83 2HG GLN 83 0.787 10.575 2.984 661 HE21 GLN 83 1HE2 GLN 83 2.376 11.874 4.303 662 HE22 GLN 83 2HE2 GLN 83 2.579 11.461 6.011 663 H ASN 84 H ASN 84 -3.702 11.695 3.003 664 HA ASN 84 HA ASN 84 -4.707 14.486 3.053 665 HB2 ASN 84 1HB ASN 84 -4.992 13.494 0.750 666 HB3 ASN 84 2HB ASN 84 -6.002 12.230 1.447 667 HD21 ASN 84 1HD2 ASN 84 -6.907 13.910 -0.608 668 HD22 ASN 84 2HD2 ASN 84 -8.156 14.953 0.059 669 H ALA 85 H ALA 85 -6.261 14.829 4.591 670 HA ALA 85 HA ALA 85 -6.723 12.825 6.645 671 HB1 ALA 85 1HB ALA 85 -6.368 15.222 7.133 672 HB2 ALA 85 2HB ALA 85 -7.856 15.630 6.243 673 HB3 ALA 85 3HB ALA 85 -7.941 14.669 7.735 674 H GLN 86 H GLN 86 -8.407 13.595 3.718 675 HA GLN 86 HA GLN 86 -11.095 13.060 4.381 676 HB2 GLN 86 1HB GLN 86 -10.413 14.048 2.273 677 HB3 GLN 86 2HB GLN 86 -9.502 12.604 1.833 678 HG2 GLN 86 1HG GLN 86 -11.607 12.747 0.589 679 HG3 GLN 86 2HG GLN 86 -11.536 11.301 1.575 680 HE21 GLN 86 1HE2 GLN 86 -13.599 10.867 2.340 681 HE22 GLN 86 2HE2 GLN 86 -14.720 12.108 2.910 682 H GLN 87 H GLN 87 -12.262 11.281 4.819 683 HA GLN 87 HA GLN 87 -11.032 8.667 5.159 684 HB2 GLN 87 1HB GLN 87 -13.942 9.558 5.298 685 HB3 GLN 87 2HB GLN 87 -13.334 7.954 5.739 686 HG2 GLN 87 1HG GLN 87 -11.862 9.008 7.468 687 HG3 GLN 87 2HG GLN 87 -12.565 10.582 7.091 688 HE21 GLN 87 1HE2 GLN 87 -12.807 10.002 9.657 689 HE22 GLN 87 2HE2 GLN 87 -14.420 9.418 10.044 690 H LEU 88 H LEU 88 -11.268 6.822 3.947 691 HA LEU 88 HA LEU 88 -12.499 6.983 1.239 692 HB2 LEU 88 1HB LEU 88 -9.770 5.997 2.118 693 HB3 LEU 88 2HB LEU 88 -10.470 5.681 0.545 694 HG LEU 88 HG LEU 88 -9.817 8.453 1.644 695 HD11 LEU 88 1HD1 LEU 88 -8.504 6.764 -0.514 696 HD12 LEU 88 2HD1 LEU 88 -7.848 7.077 1.110 697 HD13 LEU 88 3HD1 LEU 88 -8.031 8.415 -0.037 698 HD21 LEU 88 1HD2 LEU 88 -11.679 8.629 0.046 699 HD22 LEU 88 2HD2 LEU 88 -10.810 7.598 -1.116 700 HD23 LEU 88 3HD2 LEU 88 -10.195 9.214 -0.700 701 H HIS 89 H HIS 89 -12.713 4.838 0.219 702 HA HIS 89 HA HIS 89 -13.024 2.502 1.996 703 HB2 HIS 89 1HB HIS 89 -15.317 2.078 1.289 704 HB3 HIS 89 2HB HIS 89 -15.202 3.613 2.134 705 HD2 HIS 89 2HD HIS 89 -15.931 5.796 0.837 706 HE1 HIS 89 1HE HIS 89 -16.814 4.033 -2.949 707 HE2 HIS 89 2HE HIS 89 -16.960 6.166 -1.564 708 H GLU 90 H GLU 90 -13.511 0.504 0.753 709 HA GLU 90 HA GLU 90 -12.700 0.428 -2.065 710 HB2 GLU 90 1HB GLU 90 -10.709 -0.880 -1.735 711 HB3 GLU 90 2HB GLU 90 -10.536 0.636 -0.855 712 HG2 GLU 90 1HG GLU 90 -11.190 -0.575 1.262 713 HG3 GLU 90 2HG GLU 90 -11.206 -2.088 0.352 714 H ARG 91 H ARG 91 -12.569 -1.835 -2.885 715 HA ARG 91 HA ARG 91 -14.015 -3.908 -1.351 716 HB2 ARG 91 1HB ARG 91 -15.676 -2.708 -2.771 717 HB3 ARG 91 2HB ARG 91 -14.712 -3.078 -4.211 718 HG2 ARG 91 1HG ARG 91 -15.066 -5.489 -3.863 719 HG3 ARG 91 2HG ARG 91 -15.876 -5.154 -2.320 720 HD2 ARG 91 1HD ARG 91 -17.674 -3.932 -3.555 721 HD3 ARG 91 2HD ARG 91 -16.833 -4.245 -5.071 722 HE ARG 91 HE ARG 91 -17.533 -6.462 -5.062 723 HH11 ARG 91 1HH1 ARG 91 -18.463 -5.074 -1.975 724 HH12 ARG 91 2HH1 ARG 91 -19.478 -6.433 -1.575 725 HH21 ARG 91 1HH2 ARG 91 -18.844 -8.151 -4.484 726 HH22 ARG 91 2HH2 ARG 91 -19.683 -8.123 -2.961 727 H ILE 92 H ILE 92 -13.226 -5.935 -1.678 728 HA ILE 92 HA ILE 92 -10.615 -6.201 -2.919 729 HB ILE 92 HB ILE 92 -12.451 -8.248 -1.629 730 HG12 ILE 92 1HG1 ILE 92 -9.924 -6.877 -0.583 731 HG13 ILE 92 2HG1 ILE 92 -11.564 -6.412 -0.143 732 HG21 ILE 92 1HG2 ILE 92 -10.467 -9.744 -1.561 733 HG22 ILE 92 2HG2 ILE 92 -10.921 -9.387 -3.213 734 HG23 ILE 92 3HG2 ILE 92 -9.530 -8.551 -2.485 735 HD11 ILE 92 1HD1 ILE 92 -11.940 -8.700 0.812 736 HD12 ILE 92 2HD1 ILE 92 -10.210 -9.038 0.551 737 HD13 ILE 92 3HD1 ILE 92 -10.701 -7.734 1.638 738 H GLN 93 H GLN 93 -10.143 -6.708 -4.948 739 HA GLN 93 HA GLN 93 -12.188 -7.551 -6.873 740 HB2 GLN 93 1HB GLN 93 -10.540 -5.882 -7.512 741 HB3 GLN 93 2HB GLN 93 -9.213 -6.965 -7.101 742 HG2 GLN 93 1HG GLN 93 -9.533 -6.836 -9.528 743 HG3 GLN 93 2HG GLN 93 -9.783 -8.469 -8.939 744 HE21 GLN 93 1HE2 GLN 93 -11.423 -9.419 -10.144 745 HE22 GLN 93 2HE2 GLN 93 -12.888 -8.571 -10.649 746 H SER 94 H SER 94 -12.590 -9.600 -7.522 747 HA SER 94 HA SER 94 -11.125 -11.895 -6.464 748 HB2 SER 94 1HB SER 94 -13.545 -11.987 -6.883 749 HB3 SER 94 2HB SER 94 -13.262 -11.736 -8.618 750 HG SER 94 HG SER 94 -13.498 -13.966 -8.042 751 H SER 95 H SER 95 -9.562 -13.108 -7.443 752 HA SER 95 HA SER 95 -8.885 -12.904 -10.267 753 HB2 SER 95 1HB SER 95 -7.837 -10.828 -9.321 754 HB3 SER 95 2HB SER 95 -6.911 -11.842 -8.205 755 HG SER 95 HG SER 95 -6.716 -11.617 -11.026 756 H SER 96 H SER 96 -7.325 -14.453 -10.924 757 HA SER 96 HA SER 96 -6.254 -16.399 -8.968 758 HB2 SER 96 1HB SER 96 -7.939 -17.251 -11.354 759 HB3 SER 96 2HB SER 96 -7.063 -18.328 -10.257 760 HG SER 96 HG SER 96 -8.425 -17.657 -8.569 761 H MET 97 H MET 97 -4.341 -17.302 -9.589 762 HA MET 97 HA MET 97 -3.317 -17.210 -12.318 763 HB2 MET 97 1HB MET 97 -1.431 -15.758 -11.878 764 HB3 MET 97 2HB MET 97 -2.917 -14.871 -11.583 765 HG2 MET 97 1HG MET 97 -2.664 -15.144 -9.168 766 HG3 MET 97 2HG MET 97 -1.235 -16.152 -9.383 767 HE1 MET 97 1HE MET 97 0.606 -14.759 -11.512 768 HE2 MET 97 2HE MET 97 1.560 -13.716 -10.440 769 HE3 MET 97 3HE MET 97 1.129 -15.360 -9.921 770 H ASP 98 H ASP 98 -0.957 -17.946 -12.337 771 HA ASP 98 HA ASP 98 -0.105 -19.556 -10.020 772 HB2 ASP 98 1HB ASP 98 0.516 -21.460 -11.386 773 HB3 ASP 98 2HB ASP 98 -1.215 -21.185 -11.388 774 H ALA 99 H ALA 99 2.202 -20.266 -10.248 775 HA ALA 99 HA ALA 99 3.972 -18.532 -11.824 776 HB1 ALA 99 1HB ALA 99 3.788 -18.301 -8.781 777 HB2 ALA 99 2HB ALA 99 4.985 -17.492 -9.814 778 HB3 ALA 99 3HB ALA 99 3.274 -17.062 -9.948 779 H LYS 100 H LYS 100 6.279 -18.951 -11.317 780 HA LYS 100 HA LYS 100 6.965 -21.744 -11.190 781 HB2 LYS 100 1HB LYS 100 8.227 -19.969 -12.414 782 HB3 LYS 100 2HB LYS 100 8.736 -19.280 -10.868 783 HG2 LYS 100 1HG LYS 100 9.961 -21.359 -10.328 784 HG3 LYS 100 2HG LYS 100 9.369 -22.111 -11.825 785 HD2 LYS 100 1HD LYS 100 10.568 -20.396 -13.156 786 HD3 LYS 100 2HD LYS 100 11.137 -19.627 -11.656 787 HE2 LYS 100 1HE LYS 100 12.299 -21.732 -11.024 788 HE3 LYS 100 2HE LYS 100 11.734 -22.497 -12.514 789 HZ1 LYS 100 1HZ LYS 100 13.529 -20.129 -12.392 790 HZ2 LYS 100 2HZ LYS 100 13.006 -20.837 -13.770 791 HZ3 LYS 100 3HZ LYS 100 13.995 -21.648 -12.760 792 H LEU 101 H LEU 101 8.003 -22.931 -9.594 793 HA LEU 101 HA LEU 101 7.153 -22.491 -6.892 794 HB2 LEU 101 1HB LEU 101 9.243 -24.413 -7.983 795 HB3 LEU 101 2HB LEU 101 8.514 -24.497 -6.383 796 HG LEU 101 HG LEU 101 7.027 -24.866 -9.024 797 HD11 LEU 101 1HD1 LEU 101 8.556 -26.721 -8.468 798 HD12 LEU 101 2HD1 LEU 101 6.861 -27.213 -8.328 799 HD13 LEU 101 3HD1 LEU 101 7.806 -26.865 -6.862 800 HD21 LEU 101 1HD2 LEU 101 5.157 -25.665 -7.589 801 HD22 LEU 101 2HD2 LEU 101 5.500 -23.952 -7.333 802 HD23 LEU 101 3HD2 LEU 101 6.058 -25.154 -6.144 803 H GLU 102 H GLU 102 8.290 -22.094 -5.012 804 HA GLU 102 HA GLU 102 10.441 -20.147 -5.171 805 HB2 GLU 102 1HB GLU 102 8.949 -21.499 -2.895 806 HB3 GLU 102 2HB GLU 102 10.296 -20.415 -2.590 807 HG2 GLU 102 1HG GLU 102 7.757 -19.667 -4.098 808 HG3 GLU 102 2HG GLU 102 8.105 -19.288 -2.413 809 H ALA 103 H ALA 103 12.407 -20.215 -4.022 810 HA ALA 103 HA ALA 103 13.626 -22.807 -3.332 811 HB1 ALA 103 1HB ALA 103 14.173 -22.488 -5.726 812 HB2 ALA 103 2HB ALA 103 14.843 -20.880 -5.364 813 HB3 ALA 103 3HB ALA 103 15.622 -22.339 -4.715 814 H LEU 104 H LEU 104 15.684 -22.503 -2.136 815 HA LEU 104 HA LEU 104 15.342 -20.579 -0.043 816 HB2 LEU 104 1HB LEU 104 17.728 -22.328 -0.738 817 HB3 LEU 104 2HB LEU 104 17.536 -21.447 0.774 818 HG LEU 104 HG LEU 104 15.724 -23.704 -0.198 819 HD11 LEU 104 1HD1 LEU 104 17.988 -24.452 0.434 820 HD12 LEU 104 2HD1 LEU 104 16.774 -25.004 1.600 821 HD13 LEU 104 3HD1 LEU 104 17.829 -23.630 2.003 822 HD21 LEU 104 1HD2 LEU 104 15.773 -22.191 2.452 823 HD22 LEU 104 2HD2 LEU 104 14.833 -23.662 2.126 824 HD23 LEU 104 3HD2 LEU 104 14.459 -22.176 1.251 825 H LYS 105 H LYS 105 16.233 -18.674 0.415 826 HA LYS 105 HA LYS 105 17.737 -17.238 -1.700 827 HB2 LYS 105 1HB LYS 105 16.620 -16.158 0.912 828 HB3 LYS 105 2HB LYS 105 17.146 -15.233 -0.489 829 HG2 LYS 105 1HG LYS 105 14.684 -17.001 -0.271 830 HG3 LYS 105 2HG LYS 105 14.740 -15.245 -0.396 831 HD2 LYS 105 1HD LYS 105 15.713 -15.450 -2.691 832 HD3 LYS 105 2HD LYS 105 15.563 -17.207 -2.592 833 HE2 LYS 105 1HE LYS 105 13.266 -15.202 -2.489 834 HE3 LYS 105 2HE LYS 105 13.726 -16.201 -3.869 835 HZ1 LYS 105 1HZ LYS 105 13.300 -18.171 -2.383 836 HZ2 LYS 105 2HZ LYS 105 11.958 -17.336 -2.800 837 HZ3 LYS 105 3HZ LYS 105 12.603 -17.157 -1.304 838 H ASP 106 H ASP 106 18.618 -18.982 1.010 839 HA ASP 106 HA ASP 106 20.643 -17.280 2.134 840 HB2 ASP 106 1HB ASP 106 20.192 -20.273 2.408 841 HB3 ASP 106 2HB ASP 106 21.255 -19.306 3.430 842 H LEU 107 H LEU 107 20.801 -19.021 -0.754 843 HA LEU 107 HA LEU 107 23.545 -19.951 -0.605 844 HB2 LEU 107 1HB LEU 107 21.517 -19.818 -2.869 845 HB3 LEU 107 2HB LEU 107 23.133 -20.465 -3.059 846 HG LEU 107 HG LEU 107 21.605 -22.253 -2.864 847 HD11 LEU 107 1HD1 LEU 107 23.188 -22.132 -0.270 848 HD12 LEU 107 2HD1 LEU 107 23.862 -22.536 -1.867 849 HD13 LEU 107 3HD1 LEU 107 22.632 -23.578 -1.132 850 HD21 LEU 107 1HD2 LEU 107 20.248 -22.798 -0.987 851 HD22 LEU 107 2HD2 LEU 107 19.835 -21.152 -1.494 852 HD23 LEU 107 3HD2 LEU 107 20.842 -21.422 -0.046 853 H ALA 108 H ALA 108 23.721 -17.384 0.086 854 HA ALA 108 HA ALA 108 24.599 -15.666 -2.110 855 HB1 ALA 108 1HB ALA 108 25.147 -14.121 -0.273 856 HB2 ALA 108 2HB ALA 108 23.519 -14.792 -0.064 857 HB3 ALA 108 3HB ALA 108 24.871 -15.410 0.918 858 H SER 109 H SER 109 26.056 -18.287 -0.614 859 HA SER 109 HA SER 109 28.094 -19.198 -0.459 860 HB2 SER 109 1HB SER 109 29.075 -17.081 -2.390 861 HB3 SER 109 2HB SER 109 29.916 -18.569 -1.949 862 HG SER 109 HG SER 109 28.291 -19.778 -2.907 863 H LEU 110 H LEU 110 30.293 -19.042 0.349 864 HA LEU 110 HA LEU 110 30.385 -17.460 2.739 865 HB2 LEU 110 1HB LEU 110 31.270 -19.758 2.520 866 HB3 LEU 110 2HB LEU 110 32.474 -19.191 1.363 867 HG LEU 110 HG LEU 110 33.541 -17.819 3.147 868 HD11 LEU 110 1HD1 LEU 110 31.516 -19.177 4.983 869 HD12 LEU 110 2HD1 LEU 110 31.618 -17.434 4.655 870 HD13 LEU 110 3HD1 LEU 110 32.928 -18.240 5.516 871 HD21 LEU 110 1HD2 LEU 110 33.153 -20.748 3.882 872 HD22 LEU 110 2HD2 LEU 110 34.502 -19.703 4.385 873 HD23 LEU 110 3HD2 LEU 110 34.298 -20.123 2.675 874 H SER 111 H SER 111 31.652 -15.710 3.323 875 HA SER 111 HA SER 111 32.329 -13.763 1.361 876 HB2 SER 111 1HB SER 111 33.288 -12.525 3.303 877 HB3 SER 111 2HB SER 111 31.640 -13.109 3.558 878 HG SER 111 HG SER 111 34.058 -14.210 4.600 879 H ARG 112 H ARG 112 34.269 -12.954 0.638 880 HA ARG 112 HA ARG 112 36.699 -14.712 0.854 881 HB2 ARG 112 1HB ARG 112 35.741 -13.050 -1.503 882 HB3 ARG 112 2HB ARG 112 37.179 -14.058 -1.480 883 HG2 ARG 112 1HG ARG 112 34.327 -15.128 -1.272 884 HG3 ARG 112 2HG ARG 112 35.281 -15.013 -2.740 885 HD2 ARG 112 1HD ARG 112 35.426 -17.266 -2.041 886 HD3 ARG 112 2HD ARG 112 37.005 -16.526 -1.727 887 HE ARG 112 HE ARG 112 35.275 -16.382 0.591 888 HH11 ARG 112 1HH1 ARG 112 37.289 -18.748 -1.032 889 HH12 ARG 112 2HH1 ARG 112 37.658 -19.563 0.465 890 HH21 ARG 112 1HH2 ARG 112 35.825 -17.344 2.388 891 HH22 ARG 112 2HH2 ARG 112 36.821 -18.787 2.394 892 H ASP 113 H ASP 113 35.778 -11.986 2.150 893 HA ASP 113 HA ASP 113 37.880 -10.100 1.514 894 HB2 ASP 113 1HB ASP 113 36.068 -10.290 3.942 895 HB3 ASP 113 2HB ASP 113 37.121 -8.933 3.560
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