NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
610715 | 2k9n | 15989 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 1HT LYS 1 -0.432 9.989 -0.169 2 H2 LYS 1 2HT LYS 1 0.149 10.242 1.407 3 H3 LYS 1 3HT LYS 1 -1.183 11.128 0.837 4 HA LYS 1 HA LYS 1 -1.133 8.189 1.256 5 HB2 LYS 1 2HB LYS 1 -1.079 9.708 3.321 6 HB3 LYS 1 1HB LYS 1 -2.670 10.279 2.823 7 HG2 LYS 1 2HG LYS 1 -3.580 8.028 2.966 8 HG3 LYS 1 1HG LYS 1 -1.981 7.363 3.300 9 HD2 LYS 1 2HD LYS 1 -1.903 8.827 5.361 10 HD3 LYS 1 1HD LYS 1 -3.594 9.226 5.061 11 HE2 LYS 1 2HE LYS 1 -4.149 6.801 5.137 12 HE3 LYS 1 1HE LYS 1 -2.466 6.451 5.528 13 HZ1 LYS 1 2HZ LYS 1 -3.526 8.476 7.220 14 HZ2 LYS 1 3HZ LYS 1 -2.805 6.995 7.636 15 HZ3 LYS 1 1HZ LYS 1 -4.467 7.065 7.302 16 H VAL 2 H VAL 2 -3.400 7.330 1.125 17 HA VAL 2 HA VAL 2 -4.701 8.324 -1.275 18 HB VAL 2 HB VAL 2 -5.688 6.248 0.707 19 HG11 VAL 2 1HG1 VAL 2 -6.422 6.956 -2.146 20 HG12 VAL 2 2HG1 VAL 2 -7.485 6.841 -0.743 21 HG13 VAL 2 3HG1 VAL 2 -6.796 5.381 -1.448 22 HG21 VAL 2 3HG2 VAL 2 -3.419 5.735 -0.139 23 HG22 VAL 2 1HG2 VAL 2 -3.997 5.929 -1.794 24 HG23 VAL 2 2HG2 VAL 2 -4.612 4.614 -0.795 25 H LYS 3 H LYS 3 -7.100 8.824 -1.268 26 HA LYS 3 HA LYS 3 -7.693 11.076 0.293 27 HB2 LYS 3 2HB LYS 3 -9.602 9.086 -0.966 28 HB3 LYS 3 1HB LYS 3 -10.074 10.669 -0.352 29 HG2 LYS 3 2HG LYS 3 -8.409 11.711 -1.908 30 HG3 LYS 3 1HG LYS 3 -8.110 10.112 -2.591 31 HD2 LYS 3 2HD LYS 3 -10.414 9.921 -3.313 32 HD3 LYS 3 1HD LYS 3 -10.842 11.417 -2.482 33 HE2 LYS 3 2HE LYS 3 -10.521 11.778 -4.917 34 HE3 LYS 3 1HE LYS 3 -9.356 12.693 -3.958 35 HZ1 LYS 3 3HZ LYS 3 -7.748 10.904 -4.311 36 HZ2 LYS 3 1HZ LYS 3 -8.256 11.587 -5.779 37 HZ3 LYS 3 2HZ LYS 3 -8.870 10.081 -5.286 38 H PHE 4 H PHE 4 -8.806 7.710 0.858 39 HA PHE 4 HA PHE 4 -9.964 8.477 3.438 40 HB2 PHE 4 2HB PHE 4 -10.337 6.003 3.679 41 HB3 PHE 4 1HB PHE 4 -11.115 6.732 2.293 42 HD1 PHE 4 2HD PHE 4 -8.211 4.679 3.391 43 HD2 PHE 4 1HD PHE 4 -10.505 6.136 0.066 44 HE1 PHE 4 2HE PHE 4 -7.043 3.089 1.881 45 HE2 PHE 4 1HE PHE 4 -9.342 4.548 -1.439 46 HZ PHE 4 HZ PHE 4 -7.612 3.033 -0.540 47 H THR 5 H THR 5 -9.325 7.422 5.454 48 HA THR 5 HA THR 5 -6.371 7.391 5.737 49 HB THR 5 HB THR 5 -7.497 8.778 7.334 50 HG1 THR 5 1HG THR 5 -6.000 6.757 7.983 51 HG21 THR 5 3HG2 THR 5 -9.728 7.886 7.227 52 HG22 THR 5 1HG2 THR 5 -9.182 7.748 8.897 53 HG23 THR 5 2HG2 THR 5 -9.191 6.329 7.852 54 H GLU 6 H GLU 6 -5.397 5.756 7.097 55 HA GLU 6 HA GLU 6 -5.710 3.135 6.223 56 HB2 GLU 6 2HB GLU 6 -4.770 4.088 8.944 57 HB3 GLU 6 1HB GLU 6 -4.544 2.450 8.331 58 HG2 GLU 6 2HG GLU 6 -3.351 3.437 6.344 59 HG3 GLU 6 1HG GLU 6 -3.435 5.007 7.144 60 H GLU 7 H GLU 7 -7.321 4.665 9.017 61 HA GLU 7 HA GLU 7 -8.585 2.450 10.159 62 HB2 GLU 7 2HB GLU 7 -10.000 5.086 9.687 63 HB3 GLU 7 1HB GLU 7 -10.263 3.946 11.004 64 HG2 GLU 7 2HG GLU 7 -7.745 5.569 10.520 65 HG3 GLU 7 1HG GLU 7 -8.922 5.825 11.806 66 H GLU 8 H GLU 8 -9.464 4.217 7.225 67 HA GLU 8 HA GLU 8 -11.943 2.827 6.749 68 HB2 GLU 8 2HB GLU 8 -11.132 4.994 5.672 69 HB3 GLU 8 1HB GLU 8 -10.065 3.992 4.688 70 HG2 GLU 8 2HG GLU 8 -12.055 4.381 3.404 71 HG3 GLU 8 1HG GLU 8 -12.108 2.705 3.951 72 H ASP 9 H ASP 9 -8.611 2.419 5.577 73 HA ASP 9 HA ASP 9 -8.867 0.240 3.858 74 HB2 ASP 9 2HB ASP 9 -6.724 1.441 4.563 75 HB3 ASP 9 1HB ASP 9 -6.702 0.384 5.974 76 H LEU 10 H LEU 10 -9.280 0.298 7.316 77 HA LEU 10 HA LEU 10 -9.233 -2.613 7.634 78 HB2 LEU 10 2HB LEU 10 -10.603 -0.749 9.583 79 HB3 LEU 10 1HB LEU 10 -9.668 -2.208 9.912 80 HG LEU 10 HG LEU 10 -8.575 0.449 8.967 81 HD11 LEU 10 1HD1 LEU 10 -7.459 0.474 11.154 82 HD12 LEU 10 2HD1 LEU 10 -8.245 -1.049 11.569 83 HD13 LEU 10 3HD1 LEU 10 -9.212 0.406 11.335 84 HD21 LEU 10 3HD2 LEU 10 -7.230 -1.259 7.957 85 HD22 LEU 10 1HD2 LEU 10 -7.250 -2.229 9.430 86 HD23 LEU 10 2HD2 LEU 10 -6.346 -0.715 9.382 87 H LYS 11 H LYS 11 -11.655 -0.044 7.268 88 HA LYS 11 HA LYS 11 -13.975 -1.696 7.544 89 HB2 LYS 11 2HB LYS 11 -13.528 0.802 5.871 90 HB3 LYS 11 1HB LYS 11 -15.106 0.068 6.160 91 HG2 LYS 11 2HG LYS 11 -14.649 0.299 8.642 92 HG3 LYS 11 1HG LYS 11 -13.231 1.259 8.220 93 HD2 LYS 11 2HD LYS 11 -14.619 2.895 7.075 94 HD3 LYS 11 1HD LYS 11 -16.055 1.904 7.324 95 HE2 LYS 11 2HE LYS 11 -14.366 3.131 9.523 96 HE3 LYS 11 1HE LYS 11 -15.939 3.724 8.988 97 HZ1 LYS 11 3HZ LYS 11 -15.376 1.059 10.170 98 HZ2 LYS 11 1HZ LYS 11 -16.886 1.561 9.585 99 HZ3 LYS 11 2HZ LYS 11 -16.195 2.342 10.925 100 H LEU 12 H LEU 12 -11.822 -0.998 4.824 101 HA LEU 12 HA LEU 12 -13.301 -2.238 2.757 102 HB2 LEU 12 2HB LEU 12 -10.384 -1.729 3.270 103 HB3 LEU 12 1HB LEU 12 -10.804 -2.810 1.948 104 HG LEU 12 HG LEU 12 -12.251 -1.038 0.987 105 HD11 LEU 12 1HD1 LEU 12 -12.044 1.262 1.911 106 HD12 LEU 12 2HD1 LEU 12 -11.118 0.615 3.260 107 HD13 LEU 12 3HD1 LEU 12 -12.808 0.159 3.053 108 HD21 LEU 12 3HD2 LEU 12 -10.322 0.549 0.434 109 HD22 LEU 12 1HD2 LEU 12 -10.023 -1.160 0.123 110 HD23 LEU 12 2HD2 LEU 12 -9.345 -0.392 1.560 111 H GLN 13 H GLN 13 -10.939 -3.631 5.066 112 HA GLN 13 HA GLN 13 -10.972 -6.279 4.104 113 HB2 GLN 13 2HB GLN 13 -9.564 -5.418 6.004 114 HB3 GLN 13 1HB GLN 13 -10.997 -5.478 7.030 115 HG2 GLN 13 2HG GLN 13 -11.205 -7.918 6.529 116 HG3 GLN 13 1HG GLN 13 -9.700 -7.827 5.615 117 HE21 GLN 13 1HE2 GLN 13 -10.526 -6.208 8.714 118 HE22 GLN 13 2HE2 GLN 13 -9.277 -6.936 9.603 119 H GLN 14 H GLN 14 -13.363 -4.596 6.119 120 HA GLN 14 HA GLN 14 -14.978 -7.024 6.494 121 HB2 GLN 14 2HB GLN 14 -15.765 -4.143 6.928 122 HB3 GLN 14 1HB GLN 14 -16.566 -5.573 7.580 123 HG2 GLN 14 2HG GLN 14 -14.406 -6.153 8.749 124 HG3 GLN 14 1HG GLN 14 -13.777 -4.585 8.238 125 HE21 GLN 14 1HE2 GLN 14 -16.652 -3.469 8.547 126 HE22 GLN 14 2HE2 GLN 14 -16.805 -3.216 10.219 127 H LEU 15 H LEU 15 -15.603 -3.939 4.744 128 HA LEU 15 HA LEU 15 -17.986 -4.865 3.489 129 HB2 LEU 15 2HB LEU 15 -15.998 -2.678 2.873 130 HB3 LEU 15 1HB LEU 15 -17.281 -3.029 1.717 131 HG LEU 15 HG LEU 15 -18.982 -2.636 3.427 132 HD11 LEU 15 1HD1 LEU 15 -17.881 -3.422 5.416 133 HD12 LEU 15 2HD1 LEU 15 -18.213 -1.709 5.661 134 HD13 LEU 15 3HD1 LEU 15 -16.587 -2.240 5.237 135 HD21 LEU 15 3HD2 LEU 15 -18.471 -0.205 3.893 136 HD22 LEU 15 1HD2 LEU 15 -18.275 -0.672 2.203 137 HD23 LEU 15 2HD2 LEU 15 -16.857 -0.480 3.236 138 H VAL 16 H VAL 16 -14.666 -4.687 2.202 139 HA VAL 16 HA VAL 16 -15.181 -5.957 -0.268 140 HB VAL 16 HB VAL 16 -12.651 -6.218 1.383 141 HG11 VAL 16 1HG1 VAL 16 -13.183 -6.345 -1.590 142 HG12 VAL 16 2HG1 VAL 16 -12.769 -7.712 -0.559 143 HG13 VAL 16 3HG1 VAL 16 -11.592 -6.429 -0.838 144 HG21 VAL 16 3HG2 VAL 16 -11.913 -4.157 0.363 145 HG22 VAL 16 1HG2 VAL 16 -13.506 -3.828 1.035 146 HG23 VAL 16 2HG2 VAL 16 -13.327 -4.108 -0.685 147 H MET 17 H MET 17 -14.729 -7.324 2.982 148 HA MET 17 HA MET 17 -14.441 -10.041 2.050 149 HB2 MET 17 2HB MET 17 -13.750 -9.599 4.289 150 HB3 MET 17 1HB MET 17 -15.275 -8.815 4.690 151 HG2 MET 17 2HG MET 17 -16.453 -10.883 4.681 152 HG3 MET 17 1HG MET 17 -15.120 -11.724 3.890 153 HE1 MET 17 3HE MET 17 -15.594 -13.101 7.594 154 HE2 MET 17 1HE MET 17 -16.044 -13.308 5.896 155 HE3 MET 17 2HE MET 17 -16.860 -12.101 6.886 156 H ARG 18 H ARG 18 -17.159 -7.892 2.668 157 HA ARG 18 HA ARG 18 -19.164 -10.020 2.456 158 HB2 ARG 18 2HB ARG 18 -19.582 -7.954 3.764 159 HB3 ARG 18 1HB ARG 18 -19.478 -7.007 2.280 160 HG2 ARG 18 2HG ARG 18 -21.414 -8.101 1.354 161 HG3 ARG 18 1HG ARG 18 -21.441 -9.281 2.664 162 HD2 ARG 18 2HD ARG 18 -21.974 -7.547 4.283 163 HD3 ARG 18 1HD ARG 18 -21.804 -6.296 3.051 164 HE ARG 18 HE ARG 18 -23.786 -8.271 2.294 165 HH11 ARG 18 1HH2 ARG 18 -23.121 -5.507 4.247 166 HH12 ARG 18 2HH2 ARG 18 -24.769 -4.978 4.294 167 HH21 ARG 18 1HH1 ARG 18 -25.942 -7.596 2.345 168 HH22 ARG 18 2HH1 ARG 18 -26.367 -6.161 3.217 169 H TYR 19 H TYR 19 -17.589 -7.739 0.277 170 HA TYR 19 HA TYR 19 -19.398 -8.524 -1.967 171 HB2 TYR 19 2HB TYR 19 -17.173 -6.462 -1.846 172 HB3 TYR 19 1HB TYR 19 -18.273 -6.719 -3.200 173 HD1 TYR 19 2HD TYR 19 -20.850 -6.698 -2.571 174 HD2 TYR 19 1HD TYR 19 -17.761 -4.817 -0.250 175 HE1 TYR 19 2HE TYR 19 -22.540 -5.238 -1.500 176 HE2 TYR 19 1HE TYR 19 -19.453 -3.361 0.820 177 HH TYR 19 HH TYR 19 -22.916 -3.678 0.032 178 H GLY 20 H GLY 20 -16.497 -9.471 -0.565 179 HA2 GLY 20 2HA GLY 20 -15.060 -11.212 -1.291 180 HA3 GLY 20 1HA GLY 20 -15.818 -11.145 -2.883 181 H ALA 21 H ALA 21 -15.377 -9.033 -4.074 182 HA ALA 21 HA ALA 21 -13.457 -7.143 -3.778 183 HB1 ALA 21 1HB ALA 21 -11.393 -8.373 -4.936 184 HB2 ALA 21 2HB ALA 21 -12.125 -9.808 -4.221 185 HB3 ALA 21 3HB ALA 21 -11.612 -8.472 -3.193 186 H LYS 22 H LYS 22 -15.653 -7.369 -5.349 187 HA LYS 22 HA LYS 22 -14.520 -6.925 -8.045 188 HB2 LYS 22 2HB LYS 22 -16.021 -8.494 -9.152 189 HB3 LYS 22 1HB LYS 22 -15.017 -9.349 -7.980 190 HG2 LYS 22 2HG LYS 22 -16.922 -9.085 -6.318 191 HG3 LYS 22 1HG LYS 22 -17.913 -8.517 -7.663 192 HD2 LYS 22 2HD LYS 22 -17.345 -10.657 -8.876 193 HD3 LYS 22 1HD LYS 22 -16.577 -11.223 -7.393 194 HE2 LYS 22 2HE LYS 22 -18.831 -12.080 -7.402 195 HE3 LYS 22 1HE LYS 22 -18.765 -10.789 -6.202 196 HZ1 LYS 22 3HZ LYS 22 -20.587 -10.122 -7.340 197 HZ2 LYS 22 1HZ LYS 22 -20.106 -10.858 -8.791 198 HZ3 LYS 22 2HZ LYS 22 -19.419 -9.376 -8.323 199 H ASP 23 H ASP 23 -16.933 -6.276 -5.689 200 HA ASP 23 HA ASP 23 -18.610 -4.770 -7.664 201 HB2 ASP 23 2HB ASP 23 -19.261 -5.245 -4.745 202 HB3 ASP 23 1HB ASP 23 -20.359 -4.815 -6.057 203 H TRP 24 H TRP 24 -16.142 -3.712 -7.200 204 HA TRP 24 HA TRP 24 -15.920 -1.930 -4.992 205 HB2 TRP 24 2HB TRP 24 -14.774 -1.681 -7.788 206 HB3 TRP 24 1HB TRP 24 -14.236 -0.763 -6.379 207 HD1 TRP 24 HD TRP 24 -13.751 -4.036 -8.104 208 HE1 TRP 24 1HE TRP 24 -12.246 -5.561 -6.662 209 HE3 TRP 24 3HE TRP 24 -13.715 -1.348 -3.796 210 HZ2 TRP 24 2HZ TRP 24 -11.173 -5.609 -3.989 211 HZ3 TRP 24 3HZ TRP 24 -12.451 -2.123 -1.822 212 HH2 TRP 24 HH TRP 24 -11.192 -4.252 -1.901 213 H ILE 25 H ILE 25 -17.664 -1.673 -8.012 214 HA ILE 25 HA ILE 25 -18.078 1.156 -7.977 215 HB ILE 25 HB ILE 25 -20.171 0.508 -9.342 216 HG12 ILE 25 2HG1 ILE 25 -18.886 -2.234 -9.222 217 HG13 ILE 25 1HG1 ILE 25 -20.302 -1.789 -8.270 218 HG21 ILE 25 1HG2 ILE 25 -18.809 -0.175 -11.290 219 HG22 ILE 25 2HG2 ILE 25 -17.461 -0.543 -10.214 220 HG23 ILE 25 3HG2 ILE 25 -18.023 1.121 -10.388 221 HD11 ILE 25 3HD1 ILE 25 -21.496 -1.194 -10.369 222 HD12 ILE 25 1HD1 ILE 25 -21.011 -2.891 -10.337 223 HD13 ILE 25 2HD1 ILE 25 -20.092 -1.728 -11.294 224 H ARG 26 H ARG 26 -19.554 -1.551 -6.333 225 HA ARG 26 HA ARG 26 -21.812 -0.021 -5.350 226 HB2 ARG 26 2HB ARG 26 -21.505 -2.645 -5.648 227 HB3 ARG 26 1HB ARG 26 -20.845 -2.556 -4.019 228 HG2 ARG 26 2HG ARG 26 -23.607 -1.687 -4.925 229 HG3 ARG 26 1HG ARG 26 -23.215 -3.026 -3.849 230 HD2 ARG 26 2HD ARG 26 -22.140 -1.258 -2.314 231 HD3 ARG 26 1HD ARG 26 -22.982 -0.064 -3.304 232 HE ARG 26 HE ARG 26 -24.684 -2.224 -2.260 233 HH11 ARG 26 1HH2 ARG 26 -23.365 0.942 -1.854 234 HH12 ARG 26 2HH2 ARG 26 -24.615 1.463 -0.777 235 HH21 ARG 26 1HH1 ARG 26 -26.316 -1.554 -0.853 236 HH22 ARG 26 2HH1 ARG 26 -26.282 0.053 -0.209 237 H ILE 27 H ILE 27 -18.825 -1.338 -3.909 238 HA ILE 27 HA ILE 27 -19.117 -0.156 -1.369 239 HB ILE 27 HB ILE 27 -16.531 -0.594 -2.885 240 HG12 ILE 27 2HG1 ILE 27 -17.956 -2.462 -0.972 241 HG13 ILE 27 1HG1 ILE 27 -18.073 -2.601 -2.726 242 HG21 ILE 27 1HG2 ILE 27 -15.629 -0.867 -0.550 243 HG22 ILE 27 2HG2 ILE 27 -17.192 -0.327 0.062 244 HG23 ILE 27 3HG2 ILE 27 -16.197 0.763 -0.904 245 HD11 ILE 27 3HD1 ILE 27 -16.332 -4.105 -2.005 246 HD12 ILE 27 1HD1 ILE 27 -15.573 -2.846 -1.034 247 HD13 ILE 27 2HD1 ILE 27 -15.548 -2.738 -2.794 248 H SER 28 H SER 28 -18.023 1.186 -4.421 249 HA SER 28 HA SER 28 -16.966 3.634 -3.279 250 HB2 SER 28 2HB SER 28 -17.778 2.839 -6.082 251 HB3 SER 28 1HB SER 28 -17.150 4.439 -5.694 252 HG SER 28 HG SER 28 -15.245 3.534 -5.078 253 H GLN 29 H GLN 29 -20.140 2.545 -4.343 254 HA GLN 29 HA GLN 29 -21.354 5.139 -4.558 255 HB2 GLN 29 2HB GLN 29 -22.467 2.400 -3.908 256 HB3 GLN 29 1HB GLN 29 -23.502 3.823 -3.929 257 HG2 GLN 29 2HG GLN 29 -21.702 3.206 -6.280 258 HG3 GLN 29 1HG GLN 29 -23.269 2.418 -6.126 259 HE21 GLN 29 1HE2 GLN 29 -24.958 4.386 -5.235 260 HE22 GLN 29 2HE2 GLN 29 -24.976 5.709 -6.298 261 H LEU 30 H LEU 30 -20.849 2.936 -1.818 262 HA LEU 30 HA LEU 30 -22.251 4.464 0.147 263 HB2 LEU 30 2HB LEU 30 -19.702 2.868 0.560 264 HB3 LEU 30 1HB LEU 30 -20.885 3.289 1.795 265 HG LEU 30 HG LEU 30 -21.545 1.605 -0.641 266 HD11 LEU 30 1HD1 LEU 30 -19.834 0.510 0.796 267 HD12 LEU 30 2HD1 LEU 30 -21.377 -0.343 0.829 268 HD13 LEU 30 3HD1 LEU 30 -20.911 0.690 2.180 269 HD21 LEU 30 3HD2 LEU 30 -23.452 0.909 0.959 270 HD22 LEU 30 1HD2 LEU 30 -23.551 2.525 0.268 271 HD23 LEU 30 2HD2 LEU 30 -22.999 2.308 1.928 272 H MET 31 H MET 31 -18.801 4.464 -0.753 273 HA MET 31 HA MET 31 -18.545 7.238 0.398 274 HB2 MET 31 2HB MET 31 -16.489 5.028 0.096 275 HB3 MET 31 1HB MET 31 -16.115 6.674 0.612 276 HG2 MET 31 2HG MET 31 -17.779 6.384 2.482 277 HG3 MET 31 1HG MET 31 -17.916 4.688 2.022 278 HE1 MET 31 3HE MET 31 -16.924 3.817 4.595 279 HE2 MET 31 1HE MET 31 -17.446 5.506 4.671 280 HE3 MET 31 2HE MET 31 -15.904 5.025 5.374 281 H ILE 32 H ILE 32 -19.449 7.747 -1.874 282 HA ILE 32 HA ILE 32 -17.929 7.268 -4.225 283 HB ILE 32 HB ILE 32 -19.058 9.390 -5.087 284 HG12 ILE 32 2HG1 ILE 32 -20.924 10.235 -3.616 285 HG13 ILE 32 1HG1 ILE 32 -20.246 9.311 -2.285 286 HG21 ILE 32 1HG2 ILE 32 -20.819 7.311 -3.758 287 HG22 ILE 32 2HG2 ILE 32 -20.031 7.127 -5.325 288 HG23 ILE 32 3HG2 ILE 32 -21.280 8.353 -5.104 289 HD11 ILE 32 3HD1 ILE 32 -18.446 11.224 -3.752 290 HD12 ILE 32 1HD1 ILE 32 -18.415 10.723 -2.060 291 HD13 ILE 32 2HD1 ILE 32 -19.629 11.868 -2.617 292 H THR 33 H THR 33 -16.881 8.835 -1.518 293 HA THR 33 HA THR 33 -15.502 11.091 -2.675 294 HB THR 33 HB THR 33 -14.783 9.559 -0.156 295 HG1 THR 33 1HG THR 33 -16.367 10.583 0.816 296 HG21 THR 33 3HG2 THR 33 -13.051 11.115 -0.618 297 HG22 THR 33 1HG2 THR 33 -14.096 11.943 0.532 298 HG23 THR 33 2HG2 THR 33 -14.186 12.341 -1.182 299 H ARG 34 H ARG 34 -15.084 7.850 -3.203 300 HA ARG 34 HA ARG 34 -12.275 8.267 -4.124 301 HB2 ARG 34 2HB ARG 34 -11.517 6.192 -3.117 302 HB3 ARG 34 1HB ARG 34 -12.207 7.208 -1.852 303 HG2 ARG 34 2HG ARG 34 -14.450 5.835 -2.578 304 HG3 ARG 34 1HG ARG 34 -13.235 4.632 -2.989 305 HD2 ARG 34 2HD ARG 34 -12.315 4.806 -0.685 306 HD3 ARG 34 1HD ARG 34 -13.567 5.980 -0.289 307 HE ARG 34 HE ARG 34 -14.826 3.633 -1.307 308 HH11 ARG 34 1HH2 ARG 34 -12.991 4.797 1.368 309 HH12 ARG 34 2HH2 ARG 34 -13.697 3.695 2.503 310 HH21 ARG 34 1HH1 ARG 34 -15.760 2.189 0.160 311 HH22 ARG 34 2HH1 ARG 34 -15.264 2.219 1.819 312 H ASN 35 H ASN 35 -11.644 6.602 -5.725 313 HA ASN 35 HA ASN 35 -13.982 5.774 -7.335 314 HB2 ASN 35 2HB ASN 35 -11.021 6.036 -7.842 315 HB3 ASN 35 1HB ASN 35 -12.014 5.110 -8.959 316 HD21 ASN 35 1HD2 ASN 35 -13.571 6.280 -10.271 317 HD22 ASN 35 2HD2 ASN 35 -13.570 7.975 -10.364 318 HA PRO 36 HA PRO 36 -13.998 1.547 -6.156 319 HB2 PRO 36 2HB PRO 36 -13.899 0.286 -8.715 320 HB3 PRO 36 1HB PRO 36 -15.358 0.751 -7.828 321 HG2 PRO 36 2HG PRO 36 -13.965 2.163 -10.037 322 HG3 PRO 36 1HG PRO 36 -15.693 2.109 -9.641 323 HD2 PRO 36 2HD PRO 36 -14.189 4.298 -9.119 324 HD3 PRO 36 1HD PRO 36 -15.517 3.813 -8.043 325 H ARG 37 H ARG 37 -11.632 2.473 -8.612 326 HA ARG 37 HA ARG 37 -9.875 0.225 -8.172 327 HB2 ARG 37 2HB ARG 37 -9.315 2.962 -9.353 328 HB3 ARG 37 1HB ARG 37 -8.232 1.572 -9.446 329 HG2 ARG 37 2HG ARG 37 -9.844 0.312 -10.732 330 HG3 ARG 37 1HG ARG 37 -11.074 1.556 -10.494 331 HD2 ARG 37 2HD ARG 37 -9.944 1.654 -12.745 332 HD3 ARG 37 1HD ARG 37 -9.815 3.145 -11.813 333 HE ARG 37 HE ARG 37 -7.528 1.662 -11.168 334 HH11 ARG 37 1HH2 ARG 37 -9.066 2.955 -13.972 335 HH12 ARG 37 2HH2 ARG 37 -7.584 3.200 -14.834 336 HH21 ARG 37 1HH1 ARG 37 -5.585 1.975 -12.279 337 HH22 ARG 37 2HH1 ARG 37 -5.614 2.646 -13.876 338 H GLN 38 H GLN 38 -10.298 3.356 -6.629 339 HA GLN 38 HA GLN 38 -7.722 3.453 -5.360 340 HB2 GLN 38 2HB GLN 38 -10.383 4.699 -4.644 341 HB3 GLN 38 1HB GLN 38 -8.916 4.995 -3.719 342 HG2 GLN 38 2HG GLN 38 -9.048 5.426 -6.713 343 HG3 GLN 38 1HG GLN 38 -9.442 6.698 -5.558 344 HE21 GLN 38 1HE2 GLN 38 -7.691 7.599 -4.275 345 HE22 GLN 38 2HE2 GLN 38 -6.064 7.275 -4.632 346 H CYS 39 H CYS 39 -10.871 2.086 -4.275 347 HA CYS 39 HA CYS 39 -9.682 1.243 -1.730 348 HB2 CYS 39 2HB CYS 39 -12.235 0.312 -3.054 349 HB3 CYS 39 1HB CYS 39 -11.786 0.079 -1.367 350 HG CYS 39 HG CYS 39 -12.262 2.501 -0.872 351 H ARG 40 H ARG 40 -10.295 -0.145 -4.904 352 HA ARG 40 HA ARG 40 -9.753 -2.862 -4.174 353 HB2 ARG 40 2HB ARG 40 -10.775 -2.094 -6.365 354 HB3 ARG 40 1HB ARG 40 -9.154 -1.600 -6.860 355 HG2 ARG 40 2HG ARG 40 -8.329 -3.887 -6.548 356 HG3 ARG 40 1HG ARG 40 -9.920 -4.402 -5.984 357 HD2 ARG 40 2HD ARG 40 -10.882 -3.744 -8.170 358 HD3 ARG 40 1HD ARG 40 -9.266 -3.315 -8.731 359 HE ARG 40 HE ARG 40 -9.007 -5.942 -7.874 360 HH11 ARG 40 1HH2 ARG 40 -11.048 -4.190 -10.032 361 HH12 ARG 40 2HH2 ARG 40 -11.291 -5.531 -11.101 362 HH21 ARG 40 1HH1 ARG 40 -9.314 -7.702 -9.258 363 HH22 ARG 40 2HH1 ARG 40 -10.309 -7.518 -10.663 364 H GLU 41 H GLU 41 -7.679 -0.250 -5.408 365 HA GLU 41 HA GLU 41 -5.241 -1.591 -5.653 366 HB2 GLU 41 2HB GLU 41 -5.938 1.196 -4.719 367 HB3 GLU 41 1HB GLU 41 -4.255 0.669 -4.713 368 HG2 GLU 41 2HG GLU 41 -4.248 0.300 -7.068 369 HG3 GLU 41 1HG GLU 41 -6.004 0.408 -7.171 370 H ARG 42 H ARG 42 -6.999 -0.758 -2.705 371 HA ARG 42 HA ARG 42 -4.737 -1.396 -0.944 372 HB2 ARG 42 2HB ARG 42 -7.704 -1.272 -0.325 373 HB3 ARG 42 1HB ARG 42 -6.404 -1.307 0.860 374 HG2 ARG 42 2HG ARG 42 -6.872 0.876 -1.195 375 HG3 ARG 42 1HG ARG 42 -7.214 0.987 0.529 376 HD2 ARG 42 2HD ARG 42 -4.663 0.357 0.796 377 HD3 ARG 42 1HD ARG 42 -4.545 0.945 -0.863 378 HE ARG 42 HE ARG 42 -5.921 2.960 0.436 379 HH11 ARG 42 1HH2 ARG 42 -2.993 1.214 0.956 380 HH12 ARG 42 2HH2 ARG 42 -2.190 2.532 1.743 381 HH21 ARG 42 1HH1 ARG 42 -4.890 4.691 1.460 382 HH22 ARG 42 2HH1 ARG 42 -3.264 4.500 2.027 383 H TRP 43 H TRP 43 -7.583 -3.105 -2.181 384 HA TRP 43 HA TRP 43 -7.606 -5.444 -0.686 385 HB2 TRP 43 2HB TRP 43 -9.101 -4.917 -2.616 386 HB3 TRP 43 1HB TRP 43 -7.777 -5.276 -3.706 387 HD1 TRP 43 HD TRP 43 -9.015 -7.292 -0.627 388 HE1 TRP 43 1HE TRP 43 -9.519 -9.690 -1.411 389 HE3 TRP 43 3HE TRP 43 -8.086 -6.796 -5.622 390 HZ2 TRP 43 2HZ TRP 43 -9.532 -11.203 -3.839 391 HZ3 TRP 43 3HZ TRP 43 -8.354 -8.731 -7.147 392 HH2 TRP 43 HH TRP 43 -9.076 -10.931 -6.262 393 H ASN 44 H ASN 44 -5.662 -5.063 -3.659 394 HA ASN 44 HA ASN 44 -4.125 -7.465 -3.047 395 HB2 ASN 44 2HB ASN 44 -2.715 -6.524 -5.047 396 HB3 ASN 44 1HB ASN 44 -4.363 -7.069 -5.355 397 HD21 ASN 44 1HD2 ASN 44 -5.909 -5.509 -6.040 398 HD22 ASN 44 2HD2 ASN 44 -5.543 -3.865 -6.253 399 H ASN 45 H ASN 45 -3.611 -3.982 -2.639 400 HA ASN 45 HA ASN 45 -0.816 -4.451 -1.736 401 HB2 ASN 45 2HB ASN 45 -2.360 -1.845 -1.819 402 HB3 ASN 45 1HB ASN 45 -0.612 -2.053 -1.715 403 HD21 ASN 45 1HD2 ASN 45 -2.368 -0.761 -3.881 404 HD22 ASN 45 2HD2 ASN 45 -1.888 -1.528 -5.317 405 H TYR 46 H TYR 46 -3.467 -5.190 -0.187 406 HA TYR 46 HA TYR 46 -2.347 -4.366 2.407 407 HB2 TYR 46 2HB TYR 46 -4.208 -2.672 1.360 408 HB3 TYR 46 1HB TYR 46 -5.272 -3.780 2.218 409 HD1 TYR 46 1HD TYR 46 -4.116 -4.515 4.634 410 HD2 TYR 46 2HD TYR 46 -3.614 -0.760 2.605 411 HE1 TYR 46 1HE TYR 46 -3.543 -3.429 6.786 412 HE2 TYR 46 2HE TYR 46 -3.043 0.323 4.758 413 HH TYR 46 HH TYR 46 -2.050 -1.155 7.354 414 H ILE 47 H ILE 47 -5.306 -5.896 0.994 415 HA ILE 47 HA ILE 47 -4.627 -8.320 2.554 416 HB ILE 47 HB ILE 47 -6.544 -8.471 3.862 417 HG12 ILE 47 2HG1 ILE 47 -8.263 -8.060 2.086 418 HG13 ILE 47 1HG1 ILE 47 -8.622 -7.250 3.590 419 HG21 ILE 47 1HG2 ILE 47 -6.043 -5.492 3.665 420 HG22 ILE 47 2HG2 ILE 47 -5.168 -6.637 4.676 421 HG23 ILE 47 3HG2 ILE 47 -6.870 -6.306 4.989 422 HD11 ILE 47 3HD1 ILE 47 -8.235 -5.144 2.747 423 HD12 ILE 47 1HD1 ILE 47 -8.817 -5.949 1.295 424 HD13 ILE 47 2HD1 ILE 47 -7.095 -5.706 1.538 425 H ASN 48 H ASN 48 -4.745 -9.972 1.294 426 HA ASN 48 HA ASN 48 -6.945 -10.827 -0.223 427 HB2 ASN 48 2HB ASN 48 -6.798 -9.728 -2.216 428 HB3 ASN 48 1HB ASN 48 -5.436 -8.827 -1.612 429 HD21 ASN 48 1HD2 ASN 48 -3.460 -9.161 -2.650 430 HD22 ASN 48 2HD2 ASN 48 -3.134 -10.456 -3.698 431 HA PRO 49 HA PRO 49 -3.310 -13.752 -0.806 432 HB2 PRO 49 2HB PRO 49 -0.758 -12.846 -0.952 433 HB3 PRO 49 1HB PRO 49 -1.917 -12.582 -2.271 434 HG2 PRO 49 2HG PRO 49 -0.788 -10.621 -0.397 435 HG3 PRO 49 1HG PRO 49 -1.617 -10.344 -1.931 436 HD2 PRO 49 2HD PRO 49 -2.744 -10.272 0.805 437 HD3 PRO 49 1HD PRO 49 -3.459 -9.681 -0.703 438 H ALA 50 H ALA 50 -3.171 -11.658 1.885 439 HA ALA 50 HA ALA 50 -2.645 -12.089 4.130 440 HB1 ALA 50 1HB ALA 50 -3.347 -14.533 3.320 441 HB2 ALA 50 2HB ALA 50 -2.562 -14.301 4.880 442 HB3 ALA 50 3HB ALA 50 -1.624 -14.857 3.497 443 H LEU 51 H LEU 51 -0.947 -10.597 2.917 444 HA LEU 51 HA LEU 51 1.783 -11.741 2.927 445 HB2 LEU 51 2HB LEU 51 2.278 -9.207 2.286 446 HB3 LEU 51 1HB LEU 51 1.585 -10.302 1.097 447 HG LEU 51 HG LEU 51 -0.671 -9.466 1.602 448 HD11 LEU 51 1HD1 LEU 51 0.797 -7.817 3.662 449 HD12 LEU 51 2HD1 LEU 51 -0.565 -8.910 3.914 450 HD13 LEU 51 3HD1 LEU 51 -0.807 -7.379 3.073 451 HD21 LEU 51 3HD2 LEU 51 1.139 -7.089 1.227 452 HD22 LEU 51 1HD2 LEU 51 -0.459 -7.355 0.537 453 HD23 LEU 51 2HD2 LEU 51 0.917 -8.295 -0.039 454 H ARG 52 H ARG 52 0.243 -11.462 5.446 455 HA ARG 52 HA ARG 52 1.096 -9.234 6.982 456 HB2 ARG 52 2HB ARG 52 0.842 -10.821 8.952 457 HB3 ARG 52 1HB ARG 52 -0.570 -10.708 7.900 458 HG2 ARG 52 2HG ARG 52 0.027 -12.769 6.774 459 HG3 ARG 52 1HG ARG 52 1.560 -12.849 7.642 460 HD2 ARG 52 2HD ARG 52 -0.355 -14.307 8.547 461 HD3 ARG 52 1HD ARG 52 0.488 -13.291 9.715 462 HE ARG 52 HE ARG 52 -1.814 -11.939 8.582 463 HH11 ARG 52 1HH2 ARG 52 -0.711 -14.267 10.875 464 HH12 ARG 52 2HH2 ARG 52 -2.054 -14.044 11.946 465 HH21 ARG 52 1HH1 ARG 52 -3.572 -11.634 9.968 466 HH22 ARG 52 2HH1 ARG 52 -3.673 -12.552 11.433 467 H THR 53 H THR 53 2.994 -11.532 5.464 468 HA THR 53 HA THR 53 5.381 -10.659 6.946 469 HB THR 53 HB THR 53 4.768 -13.622 6.770 470 HG1 THR 53 1HG THR 53 3.392 -12.323 8.216 471 HG21 THR 53 3HG2 THR 53 6.866 -11.996 8.233 472 HG22 THR 53 1HG2 THR 53 7.141 -13.074 6.864 473 HG23 THR 53 2HG2 THR 53 6.636 -13.735 8.420 474 H ASP 54 H ASP 54 5.295 -9.840 4.566 475 HA ASP 54 HA ASP 54 6.833 -11.767 2.852 476 HB2 ASP 54 2HB ASP 54 4.438 -11.552 2.093 477 HB3 ASP 54 1HB ASP 54 4.737 -9.833 1.836 478 HA PRO 55 HA PRO 55 8.768 -7.515 3.364 479 HB2 PRO 55 2HB PRO 55 11.149 -8.275 4.446 480 HB3 PRO 55 1HB PRO 55 9.692 -8.048 5.439 481 HG2 PRO 55 2HG PRO 55 10.834 -10.585 4.328 482 HG3 PRO 55 1HG PRO 55 10.267 -10.240 5.975 483 HD2 PRO 55 2HD PRO 55 8.705 -11.543 4.175 484 HD3 PRO 55 1HD PRO 55 8.005 -10.439 5.382 485 H TRP 56 H TRP 56 9.957 -6.652 1.733 486 HA TRP 56 HA TRP 56 10.920 -8.389 -0.409 487 HB2 TRP 56 2HB TRP 56 11.738 -5.999 -1.282 488 HB3 TRP 56 1HB TRP 56 10.040 -6.456 -1.343 489 HD1 TRP 56 HD TRP 56 8.391 -5.330 0.366 490 HE1 TRP 56 1HE TRP 56 8.532 -3.207 1.805 491 HE3 TRP 56 3HE TRP 56 13.407 -4.503 0.101 492 HZ2 TRP 56 2HZ TRP 56 10.560 -1.357 2.690 493 HZ3 TRP 56 3HZ TRP 56 14.416 -2.554 1.232 494 HH2 TRP 56 HH TRP 56 13.007 -0.984 2.531 495 H SER 57 H SER 57 13.183 -7.436 -1.380 496 HA SER 57 HA SER 57 15.208 -7.638 0.836 497 HB2 SER 57 2HB SER 57 16.052 -8.650 -1.820 498 HB3 SER 57 1HB SER 57 16.178 -9.424 -0.239 499 HG SER 57 HG SER 57 14.445 -10.494 -0.692 500 HA PRO 58 HA PRO 58 17.572 -4.188 -0.597 501 HB2 PRO 58 2HB PRO 58 19.493 -5.993 -2.062 502 HB3 PRO 58 1HB PRO 58 19.843 -4.633 -0.969 503 HG2 PRO 58 2HG PRO 58 20.065 -7.094 -0.070 504 HG3 PRO 58 1HG PRO 58 19.274 -5.862 0.938 505 HD2 PRO 58 2HD PRO 58 18.017 -8.069 -0.669 506 HD3 PRO 58 1HD PRO 58 17.546 -7.440 0.926 507 H GLU 59 H GLU 59 16.486 -6.444 -2.968 508 HA GLU 59 HA GLU 59 17.137 -5.052 -5.360 509 HB2 GLU 59 2HB GLU 59 14.682 -6.751 -4.797 510 HB3 GLU 59 1HB GLU 59 15.337 -6.357 -6.387 511 HG2 GLU 59 2HG GLU 59 16.873 -7.861 -4.249 512 HG3 GLU 59 1HG GLU 59 15.999 -8.639 -5.569 513 H GLU 60 H GLU 60 14.260 -4.943 -3.231 514 HA GLU 60 HA GLU 60 13.042 -2.800 -4.761 515 HB2 GLU 60 2HB GLU 60 12.548 -3.888 -1.982 516 HB3 GLU 60 1HB GLU 60 11.632 -2.537 -2.642 517 HG2 GLU 60 2HG GLU 60 11.879 -5.212 -4.043 518 HG3 GLU 60 1HG GLU 60 10.551 -4.809 -2.955 519 H ASP 61 H ASP 61 15.180 -3.001 -1.937 520 HA ASP 61 HA ASP 61 15.070 -0.294 -1.121 521 HB2 ASP 61 2HB ASP 61 16.367 -2.228 -0.028 522 HB3 ASP 61 1HB ASP 61 17.634 -1.910 -1.210 523 H MET 62 H MET 62 17.264 -1.807 -3.506 524 HA MET 62 HA MET 62 18.428 0.707 -4.298 525 HB2 MET 62 2HB MET 62 18.383 -1.959 -5.741 526 HB3 MET 62 1HB MET 62 19.434 -0.599 -6.135 527 HG2 MET 62 2HG MET 62 19.379 -1.933 -3.417 528 HG3 MET 62 1HG MET 62 20.519 -2.366 -4.691 529 HE1 MET 62 3HE MET 62 22.080 -1.842 -2.472 530 HE2 MET 62 1HE MET 62 20.768 -1.057 -1.581 531 HE3 MET 62 2HE MET 62 22.303 -0.223 -1.812 532 H LEU 63 H LEU 63 15.831 -1.343 -5.618 533 HA LEU 63 HA LEU 63 15.438 0.411 -7.928 534 HB2 LEU 63 2HB LEU 63 13.638 -1.723 -6.753 535 HB3 LEU 63 1HB LEU 63 13.399 -0.949 -8.313 536 HG LEU 63 HG LEU 63 15.986 -2.384 -7.648 537 HD11 LEU 63 1HD1 LEU 63 15.075 -4.385 -8.748 538 HD12 LEU 63 2HD1 LEU 63 13.514 -3.587 -8.933 539 HD13 LEU 63 3HD1 LEU 63 14.119 -3.978 -7.323 540 HD21 LEU 63 3HD2 LEU 63 15.961 -2.671 -10.182 541 HD22 LEU 63 1HD2 LEU 63 16.140 -1.010 -9.625 542 HD23 LEU 63 2HD2 LEU 63 14.580 -1.578 -10.219 543 H LEU 64 H LEU 64 14.431 0.417 -4.641 544 HA LEU 64 HA LEU 64 12.038 2.045 -5.061 545 HB2 LEU 64 2HB LEU 64 12.127 0.652 -3.070 546 HB3 LEU 64 1HB LEU 64 13.652 1.383 -2.572 547 HG LEU 64 HG LEU 64 12.537 3.531 -2.210 548 HD11 LEU 64 1HD1 LEU 64 10.843 3.674 -3.845 549 HD12 LEU 64 2HD1 LEU 64 9.925 3.441 -2.361 550 HD13 LEU 64 3HD1 LEU 64 10.190 2.084 -3.453 551 HD21 LEU 64 3HD2 LEU 64 10.787 1.411 -0.945 552 HD22 LEU 64 1HD2 LEU 64 11.333 2.937 -0.253 553 HD23 LEU 64 2HD2 LEU 64 12.476 1.617 -0.477 554 H ASP 65 H ASP 65 15.423 2.581 -4.103 555 HA ASP 65 HA ASP 65 15.330 5.318 -3.485 556 HB2 ASP 65 2HB ASP 65 17.372 3.807 -3.442 557 HB3 ASP 65 1HB ASP 65 17.487 4.035 -5.187 558 H GLN 66 H GLN 66 15.101 3.693 -6.581 559 HA GLN 66 HA GLN 66 15.296 6.161 -8.149 560 HB2 GLN 66 2HB GLN 66 14.314 3.405 -8.946 561 HB3 GLN 66 1HB GLN 66 14.699 4.724 -10.053 562 HG2 GLN 66 2HG GLN 66 16.691 3.545 -8.097 563 HG3 GLN 66 1HG GLN 66 16.552 3.032 -9.780 564 HE21 GLN 66 1HE2 GLN 66 18.965 4.216 -8.873 565 HE22 GLN 66 2HE2 GLN 66 19.132 5.747 -9.585 566 H LYS 67 H LYS 67 12.658 3.986 -7.127 567 HA LYS 67 HA LYS 67 10.610 5.599 -8.425 568 HB2 LYS 67 2HB LYS 67 10.344 3.523 -6.226 569 HB3 LYS 67 1HB LYS 67 9.032 4.144 -7.226 570 HG2 LYS 67 2HG LYS 67 10.029 3.209 -9.226 571 HG3 LYS 67 1HG LYS 67 11.472 2.730 -8.332 572 HD2 LYS 67 2HD LYS 67 10.092 1.217 -6.936 573 HD3 LYS 67 1HD LYS 67 8.666 1.675 -7.868 574 HE2 LYS 67 2HE LYS 67 11.154 0.355 -8.994 575 HE3 LYS 67 1HE LYS 67 9.612 -0.448 -8.695 576 HZ1 LYS 67 3HZ LYS 67 10.399 1.201 -10.887 577 HZ2 LYS 67 1HZ LYS 67 8.968 1.761 -10.170 578 HZ3 LYS 67 2HZ LYS 67 9.061 0.163 -10.741 579 H TYR 68 H TYR 68 11.454 5.061 -5.000 580 HA TYR 68 HA TYR 68 9.743 6.921 -3.798 581 HB2 TYR 68 2HB TYR 68 11.021 5.525 -2.356 582 HB3 TYR 68 1HB TYR 68 12.538 5.990 -3.113 583 HD1 TYR 68 2HD TYR 68 13.449 8.299 -2.766 584 HD2 TYR 68 1HD TYR 68 10.078 6.815 -0.557 585 HE1 TYR 68 2HE TYR 68 13.751 10.105 -1.100 586 HE2 TYR 68 1HE TYR 68 10.380 8.621 1.112 587 HH TYR 68 HH TYR 68 12.006 10.140 1.907 588 H ALA 69 H ALA 69 12.980 7.471 -5.155 589 HA ALA 69 HA ALA 69 13.322 10.183 -4.570 590 HB1 ALA 69 1HB ALA 69 14.100 8.544 -6.994 591 HB2 ALA 69 2HB ALA 69 15.117 9.019 -5.633 592 HB3 ALA 69 3HB ALA 69 14.594 10.228 -6.805 593 H GLU 70 H GLU 70 11.216 8.662 -6.921 594 HA GLU 70 HA GLU 70 10.468 11.258 -8.139 595 HB2 GLU 70 2HB GLU 70 9.747 8.371 -8.696 596 HB3 GLU 70 1HB GLU 70 8.962 9.718 -9.520 597 HG2 GLU 70 2HG GLU 70 11.089 10.484 -10.410 598 HG3 GLU 70 1HG GLU 70 11.959 9.269 -9.471 599 H TYR 71 H TYR 71 8.739 8.499 -6.626 600 HA TYR 71 HA TYR 71 6.407 10.216 -6.120 601 HB2 TYR 71 2HB TYR 71 6.745 7.377 -5.163 602 HB3 TYR 71 1HB TYR 71 5.257 8.238 -5.558 603 HD1 TYR 71 1HD TYR 71 4.810 8.908 -7.959 604 HD2 TYR 71 2HD TYR 71 7.957 6.208 -6.853 605 HE1 TYR 71 1HE TYR 71 4.943 8.103 -10.302 606 HE2 TYR 71 2HE TYR 71 8.094 5.402 -9.194 607 HH TYR 71 HH TYR 71 6.171 5.396 -11.247 608 H GLY 72 H GLY 72 8.839 8.512 -4.160 609 HA2 GLY 72 2HA GLY 72 9.687 9.420 -2.078 610 HA3 GLY 72 1HA GLY 72 8.216 10.370 -1.916 611 HA PRO 73 HA PRO 73 7.455 6.662 0.668 612 HB2 PRO 73 2HB PRO 73 5.996 7.791 2.646 613 HB3 PRO 73 1HB PRO 73 7.756 8.012 2.551 614 HG2 PRO 73 2HG PRO 73 5.573 9.884 1.730 615 HG3 PRO 73 1HG PRO 73 7.105 10.237 2.552 616 HD2 PRO 73 2HD PRO 73 6.679 10.570 -0.188 617 HD3 PRO 73 1HD PRO 73 8.283 10.367 0.553 618 H LYS 74 H LYS 74 5.800 7.644 -1.697 619 HA LYS 74 HA LYS 74 3.015 7.226 -0.839 620 HB2 LYS 74 2HB LYS 74 4.335 7.493 -3.545 621 HB3 LYS 74 1HB LYS 74 2.602 7.266 -3.330 622 HG2 LYS 74 2HG LYS 74 2.566 9.313 -1.885 623 HG3 LYS 74 1HG LYS 74 4.267 9.569 -2.274 624 HD2 LYS 74 2HD LYS 74 3.766 9.837 -4.618 625 HD3 LYS 74 1HD LYS 74 2.091 9.343 -4.369 626 HE2 LYS 74 2HE LYS 74 2.192 11.775 -4.538 627 HE3 LYS 74 1HE LYS 74 1.767 11.325 -2.887 628 HZ1 LYS 74 3HZ LYS 74 3.746 12.018 -2.087 629 HZ2 LYS 74 1HZ LYS 74 3.697 13.031 -3.445 630 HZ3 LYS 74 2HZ LYS 74 4.604 11.595 -3.491 631 H TRP 75 H TRP 75 3.877 5.066 0.145 632 HA TRP 75 HA TRP 75 4.653 2.873 -1.399 633 HB2 TRP 75 2HB TRP 75 2.719 2.545 0.886 634 HB3 TRP 75 1HB TRP 75 4.098 1.536 0.457 635 HD1 TRP 75 HD TRP 75 3.163 3.868 2.980 636 HE1 TRP 75 1HE TRP 75 5.192 5.017 4.069 637 HE3 TRP 75 3HE TRP 75 6.778 2.818 -0.489 638 HZ2 TRP 75 2HZ TRP 75 7.958 5.454 3.547 639 HZ3 TRP 75 3HZ TRP 75 9.086 3.620 -0.161 640 HH2 TRP 75 HH TRP 75 9.688 4.936 1.848 641 H ASN 76 H ASN 76 1.821 4.599 -1.720 642 HA ASN 76 HA ASN 76 0.026 2.420 -2.423 643 HB2 ASN 76 2HB ASN 76 -0.858 4.611 -1.717 644 HB3 ASN 76 1HB ASN 76 -0.090 5.376 -3.108 645 HD21 ASN 76 1HD2 ASN 76 -1.217 2.233 -3.869 646 HD22 ASN 76 2HD2 ASN 76 -2.667 2.685 -4.627 647 H LYS 77 H LYS 77 2.281 4.535 -4.113 648 HA LYS 77 HA LYS 77 1.554 3.457 -6.759 649 HB2 LYS 77 2HB LYS 77 3.692 5.378 -5.803 650 HB3 LYS 77 1HB LYS 77 3.527 4.874 -7.486 651 HG2 LYS 77 2HG LYS 77 1.161 5.694 -7.448 652 HG3 LYS 77 1HG LYS 77 1.439 6.308 -5.817 653 HD2 LYS 77 2HD LYS 77 3.172 7.806 -6.612 654 HD3 LYS 77 1HD LYS 77 3.088 7.109 -8.230 655 HE2 LYS 77 2HE LYS 77 1.832 9.317 -7.877 656 HE3 LYS 77 1HE LYS 77 0.917 8.004 -8.617 657 HZ1 LYS 77 3HZ LYS 77 -0.016 7.467 -6.469 658 HZ2 LYS 77 1HZ LYS 77 -0.327 9.093 -6.843 659 HZ3 LYS 77 2HZ LYS 77 0.894 8.696 -5.728 660 H ILE 78 H ILE 78 4.132 3.183 -4.359 661 HA ILE 78 HA ILE 78 5.868 1.541 -5.953 662 HB ILE 78 HB ILE 78 5.677 1.458 -2.934 663 HG12 ILE 78 2HG1 ILE 78 5.610 3.802 -3.457 664 HG13 ILE 78 1HG1 ILE 78 7.266 3.426 -2.993 665 HG21 ILE 78 1HG2 ILE 78 8.074 1.386 -4.787 666 HG22 ILE 78 2HG2 ILE 78 7.266 -0.058 -4.178 667 HG23 ILE 78 3HG2 ILE 78 8.057 1.050 -3.056 668 HD11 ILE 78 3HD1 ILE 78 7.454 4.770 -4.949 669 HD12 ILE 78 1HD1 ILE 78 6.167 3.890 -5.770 670 HD13 ILE 78 2HD1 ILE 78 7.730 3.119 -5.502 671 H SER 79 H SER 79 3.600 0.685 -3.312 672 HA SER 79 HA SER 79 3.846 -2.094 -3.410 673 HB2 SER 79 2HB SER 79 1.637 -2.223 -2.455 674 HB3 SER 79 1HB SER 79 2.403 -0.767 -1.823 675 HG SER 79 HG SER 79 0.290 -0.345 -2.564 676 H LYS 80 H LYS 80 2.408 -0.038 -5.823 677 HA LYS 80 HA LYS 80 0.901 -2.187 -7.107 678 HB2 LYS 80 2HB LYS 80 1.665 0.622 -7.945 679 HB3 LYS 80 1HB LYS 80 0.817 -0.483 -9.029 680 HG2 LYS 80 2HG LYS 80 -1.030 -0.691 -7.463 681 HG3 LYS 80 1HG LYS 80 -0.161 0.249 -6.255 682 HD2 LYS 80 2HD LYS 80 -1.861 1.618 -7.432 683 HD3 LYS 80 1HD LYS 80 -0.231 2.230 -7.694 684 HE2 LYS 80 2HE LYS 80 -1.830 1.999 -9.754 685 HE3 LYS 80 1HE LYS 80 -0.160 1.464 -9.920 686 HZ1 LYS 80 3HZ LYS 80 -2.194 -0.059 -10.579 687 HZ2 LYS 80 1HZ LYS 80 -2.105 -0.480 -8.938 688 HZ3 LYS 80 2HZ LYS 80 -0.757 -0.706 -9.947 689 H PHE 81 H PHE 81 4.166 -1.104 -7.085 690 HA PHE 81 HA PHE 81 4.812 -2.360 -9.684 691 HB2 PHE 81 2HB PHE 81 6.303 -0.759 -7.608 692 HB3 PHE 81 1HB PHE 81 7.229 -1.751 -8.732 693 HD1 PHE 81 2HD PHE 81 6.765 -1.467 -11.252 694 HD2 PHE 81 1HD PHE 81 5.499 1.374 -8.288 695 HE1 PHE 81 2HE PHE 81 6.527 0.264 -13.010 696 HE2 PHE 81 1HE PHE 81 5.261 3.103 -10.048 697 HZ PHE 81 HZ PHE 81 5.775 2.549 -12.409 698 H LEU 82 H LEU 82 4.495 -3.177 -6.413 699 HA LEU 82 HA LEU 82 6.303 -5.547 -6.580 700 HB2 LEU 82 2HB LEU 82 4.788 -4.161 -4.362 701 HB3 LEU 82 1HB LEU 82 5.477 -5.763 -4.125 702 HG LEU 82 HG LEU 82 7.707 -4.986 -4.410 703 HD11 LEU 82 1HD1 LEU 82 8.180 -2.582 -5.072 704 HD12 LEU 82 2HD1 LEU 82 6.487 -2.451 -5.520 705 HD13 LEU 82 3HD1 LEU 82 7.533 -3.588 -6.362 706 HD21 LEU 82 3HD2 LEU 82 6.898 -4.338 -2.243 707 HD22 LEU 82 1HD2 LEU 82 6.081 -2.922 -2.894 708 HD23 LEU 82 2HD2 LEU 82 7.841 -2.987 -2.851 709 H LYS 83 H LYS 83 2.946 -4.861 -5.545 710 HA LYS 83 HA LYS 83 0.993 -6.101 -5.773 711 HB2 LYS 83 2HB LYS 83 2.358 -7.793 -7.879 712 HB3 LYS 83 1HB LYS 83 0.666 -7.321 -7.763 713 HG2 LYS 83 2HG LYS 83 1.637 -4.859 -8.018 714 HG3 LYS 83 1HG LYS 83 3.029 -5.696 -8.697 715 HD2 LYS 83 2HD LYS 83 1.757 -5.329 -10.625 716 HD3 LYS 83 1HD LYS 83 1.206 -6.940 -10.172 717 HE2 LYS 83 2HE LYS 83 -0.754 -5.963 -9.038 718 HE3 LYS 83 1HE LYS 83 -0.186 -4.342 -9.436 719 HZ1 LYS 83 3HZ LYS 83 -1.875 -5.198 -10.989 720 HZ2 LYS 83 1HZ LYS 83 -0.812 -6.439 -11.441 721 HZ3 LYS 83 2HZ LYS 83 -0.406 -4.820 -11.754 722 H ASN 84 H ASN 84 3.786 -7.067 -4.574 723 HA ASN 84 HA ASN 84 2.814 -9.787 -3.797 724 HB2 ASN 84 2HB ASN 84 5.610 -8.697 -4.169 725 HB3 ASN 84 1HB ASN 84 5.289 -10.197 -3.299 726 HD21 ASN 84 1HD2 ASN 84 4.029 -8.754 -6.369 727 HD22 ASN 84 2HD2 ASN 84 4.283 -10.153 -7.296 728 H ARG 85 H ARG 85 3.629 -6.620 -2.760 729 HA ARG 85 HA ARG 85 3.405 -7.488 0.122 730 HB2 ARG 85 2HB ARG 85 5.199 -5.370 -1.075 731 HB3 ARG 85 1HB ARG 85 4.908 -5.555 0.642 732 HG2 ARG 85 2HG ARG 85 6.785 -6.897 0.540 733 HG3 ARG 85 1HG ARG 85 5.631 -8.120 0.059 734 HD2 ARG 85 2HD ARG 85 6.068 -7.242 -2.369 735 HD3 ARG 85 1HD ARG 85 7.531 -6.550 -1.670 736 HE ARG 85 HE ARG 85 7.281 -9.320 -0.921 737 HH11 ARG 85 1HH2 ARG 85 8.021 -7.176 -3.519 738 HH12 ARG 85 2HH2 ARG 85 9.070 -8.297 -4.320 739 HH21 ARG 85 1HH1 ARG 85 8.645 -10.794 -1.953 740 HH22 ARG 85 2HH1 ARG 85 9.423 -10.346 -3.434 741 H SER 86 H SER 86 3.013 -5.361 1.443 742 HA SER 86 HA SER 86 0.807 -3.823 0.123 743 HB2 SER 86 2HB SER 86 -0.094 -3.804 2.582 744 HB3 SER 86 1HB SER 86 -0.318 -5.261 1.618 745 HG SER 86 HG SER 86 1.979 -5.634 2.630 746 H ASP 87 H ASP 87 0.476 -1.736 1.108 747 HA ASP 87 HA ASP 87 2.864 -0.245 1.421 748 HB2 ASP 87 2HB ASP 87 1.247 1.525 2.412 749 HB3 ASP 87 1HB ASP 87 0.936 0.985 0.761 750 H ASN 88 H ASN 88 0.787 -1.874 3.697 751 HA ASN 88 HA ASN 88 1.875 -0.727 6.098 752 HB2 ASN 88 2HB ASN 88 -0.263 -2.040 5.987 753 HB3 ASN 88 1HB ASN 88 0.694 -3.498 5.723 754 HD21 ASN 88 1HD2 ASN 88 0.698 -4.631 7.677 755 HD22 ASN 88 2HD2 ASN 88 0.996 -3.938 9.198 756 H ASN 89 H ASN 89 2.900 -3.309 3.934 757 HA ASN 89 HA ASN 89 4.964 -4.296 5.778 758 HB2 ASN 89 2HB ASN 89 3.740 -5.684 4.035 759 HB3 ASN 89 1HB ASN 89 4.652 -4.805 2.813 760 HD21 ASN 89 1HD2 ASN 89 5.421 -7.218 2.475 761 HD22 ASN 89 2HD2 ASN 89 6.801 -7.681 3.349 762 H ILE 90 H ILE 90 4.720 -2.281 2.891 763 HA ILE 90 HA ILE 90 7.565 -1.858 2.597 764 HB ILE 90 HB ILE 90 5.239 -0.192 1.597 765 HG12 ILE 90 2HG1 ILE 90 6.757 -2.381 0.154 766 HG13 ILE 90 1HG1 ILE 90 5.226 -2.657 0.963 767 HG21 ILE 90 1HG2 ILE 90 7.369 0.993 1.440 768 HG22 ILE 90 2HG2 ILE 90 6.875 0.472 -0.171 769 HG23 ILE 90 3HG2 ILE 90 8.128 -0.415 0.697 770 HD11 ILE 90 3HD1 ILE 90 4.552 -2.246 -1.219 771 HD12 ILE 90 1HD1 ILE 90 5.789 -1.025 -1.492 772 HD13 ILE 90 2HD1 ILE 90 4.376 -0.650 -0.504 773 H ARG 91 H ARG 91 4.912 0.231 3.730 774 HA ARG 91 HA ARG 91 6.455 2.405 4.657 775 HB2 ARG 91 2HB ARG 91 3.918 2.239 4.539 776 HB3 ARG 91 1HB ARG 91 3.983 1.294 6.018 777 HG2 ARG 91 2HG ARG 91 5.301 3.254 7.037 778 HG3 ARG 91 1HG ARG 91 4.801 4.180 5.623 779 HD2 ARG 91 2HD ARG 91 2.409 3.520 6.181 780 HD3 ARG 91 1HD ARG 91 3.028 2.900 7.712 781 HE ARG 91 HE ARG 91 3.229 5.127 8.458 782 HH11 ARG 91 1HH2 ARG 91 3.006 4.931 5.022 783 HH12 ARG 91 2HH2 ARG 91 2.918 6.646 4.797 784 HH21 ARG 91 1HH1 ARG 91 3.113 7.367 8.183 785 HH22 ARG 91 2HH1 ARG 91 2.978 8.025 6.586 786 H ASN 92 H ASN 92 5.774 -0.717 6.070 787 HA ASN 92 HA ASN 92 6.988 -0.042 8.662 788 HB2 ASN 92 2HB ASN 92 5.110 -1.611 8.574 789 HB3 ASN 92 1HB ASN 92 6.041 -2.690 7.534 790 HD21 ASN 92 1HD2 ASN 92 6.098 -4.435 9.104 791 HD22 ASN 92 2HD2 ASN 92 6.997 -4.319 10.539 792 H ARG 93 H ARG 93 7.883 -2.058 5.827 793 HA ARG 93 HA ARG 93 10.378 -2.871 7.078 794 HB2 ARG 93 2HB ARG 93 9.200 -4.195 5.310 795 HB3 ARG 93 1HB ARG 93 9.673 -2.971 4.138 796 HG2 ARG 93 2HG ARG 93 11.991 -3.441 4.397 797 HG3 ARG 93 1HG ARG 93 11.736 -4.334 5.893 798 HD2 ARG 93 2HD ARG 93 10.366 -5.990 4.466 799 HD3 ARG 93 1HD ARG 93 11.093 -5.198 3.075 800 HE ARG 93 HE ARG 93 12.429 -7.043 4.854 801 HH11 ARG 93 1HH2 ARG 93 12.787 -4.207 2.930 802 HH12 ARG 93 2HH2 ARG 93 14.479 -4.452 2.651 803 HH21 ARG 93 1HH1 ARG 93 14.634 -7.378 4.500 804 HH22 ARG 93 2HH1 ARG 93 15.524 -6.245 3.537 805 H TRP 94 H TRP 94 9.458 -0.326 4.801 806 HA TRP 94 HA TRP 94 12.044 0.548 4.065 807 HB2 TRP 94 2HB TRP 94 10.041 1.444 2.983 808 HB3 TRP 94 1HB TRP 94 9.508 2.158 4.504 809 HD1 TRP 94 HD TRP 94 10.113 4.605 4.783 810 HE1 TRP 94 1HE TRP 94 11.908 6.191 3.832 811 HE3 TRP 94 3HE TRP 94 12.795 1.309 1.947 812 HZ2 TRP 94 2HZ TRP 94 14.181 6.079 2.100 813 HZ3 TRP 94 3HZ TRP 94 14.768 2.075 0.661 814 HH2 TRP 94 HH TRP 94 15.464 4.453 0.732 815 H MET 95 H MET 95 10.104 1.159 6.958 816 HA MET 95 HA MET 95 11.907 3.133 8.067 817 HB2 MET 95 2HB MET 95 9.790 1.363 9.319 818 HB3 MET 95 1HB MET 95 10.695 2.579 10.222 819 HG2 MET 95 2HG MET 95 9.851 4.351 8.803 820 HG3 MET 95 1HG MET 95 9.087 3.182 7.725 821 HE1 MET 95 3HE MET 95 8.808 5.441 10.641 822 HE2 MET 95 1HE MET 95 9.362 4.032 11.555 823 HE3 MET 95 2HE MET 95 7.741 4.673 11.812 824 H MET 96 H MET 96 11.841 -0.344 7.948 825 HA MET 96 HA MET 96 13.752 -0.710 10.138 826 HB2 MET 96 2HB MET 96 12.062 -2.453 9.492 827 HB3 MET 96 1HB MET 96 12.921 -2.660 7.966 828 HG2 MET 96 2HG MET 96 14.956 -3.305 9.167 829 HG3 MET 96 1HG MET 96 14.152 -3.033 10.713 830 HE1 MET 96 3HE MET 96 15.369 -5.524 10.834 831 HE2 MET 96 1HE MET 96 14.115 -6.737 11.130 832 HE3 MET 96 2HE MET 96 14.038 -5.170 11.932 833 H ILE 97 H ILE 97 13.788 -0.644 6.592 834 HA ILE 97 HA ILE 97 16.685 -1.128 6.499 835 HB ILE 97 HB ILE 97 14.855 -0.234 4.256 836 HG12 ILE 97 2HG1 ILE 97 13.913 -2.276 5.150 837 HG13 ILE 97 1HG1 ILE 97 14.779 -2.687 3.674 838 HG21 ILE 97 1HG2 ILE 97 16.597 -1.399 2.872 839 HG22 ILE 97 2HG2 ILE 97 17.558 -1.600 4.337 840 HG23 ILE 97 3HG2 ILE 97 17.202 0.018 3.731 841 HD11 ILE 97 3HD1 ILE 97 16.790 -3.192 5.256 842 HD12 ILE 97 1HD1 ILE 97 15.465 -4.353 5.192 843 HD13 ILE 97 2HD1 ILE 97 15.576 -3.216 6.534 844 H ALA 98 H ALA 98 14.448 1.582 6.373 845 HA ALA 98 HA ALA 98 16.439 3.497 5.465 846 HB1 ALA 98 1HB ALA 98 14.020 3.928 5.186 847 HB2 ALA 98 2HB ALA 98 14.786 5.202 6.133 848 HB3 ALA 98 3HB ALA 98 13.828 3.962 6.940 849 H ARG 99 H ARG 99 15.738 1.954 8.437 850 HA ARG 99 HA ARG 99 16.739 4.024 10.195 851 HB2 ARG 99 2HB ARG 99 15.246 2.258 11.036 852 HB3 ARG 99 1HB ARG 99 16.451 1.035 10.629 853 HG2 ARG 99 2HG ARG 99 18.001 1.901 12.249 854 HG3 ARG 99 1HG ARG 99 17.008 3.333 12.520 855 HD2 ARG 99 2HD ARG 99 15.199 1.901 13.416 856 HD3 ARG 99 1HD ARG 99 16.214 0.479 13.172 857 HE ARG 99 HE ARG 99 17.377 1.058 15.136 858 HH11 ARG 99 1HH2 ARG 99 15.649 3.739 13.825 859 HH12 ARG 99 2HH2 ARG 99 16.005 4.789 15.156 860 HH21 ARG 99 1HH1 ARG 99 17.851 2.414 16.881 861 HH22 ARG 99 2HH1 ARG 99 17.251 4.039 16.886 862 H HIS 100 H HIS 100 18.143 1.644 8.144 863 HA HIS 100 HA HIS 100 20.707 1.533 9.544 864 HB2 HIS 100 2HB HIS 100 19.953 -0.403 8.242 865 HB3 HIS 100 1HB HIS 100 19.867 0.586 6.785 866 HD1 HIS 100 1HD HIS 100 22.113 -1.606 8.580 867 HD2 HIS 100 2HD HIS 100 22.588 1.742 6.137 868 HE1 HIS 100 1HE HIS 100 24.530 -1.612 7.815 869 HE2 HIS 100 2HE HIS 100 24.828 0.421 6.327 870 H ARG 101 H ARG 101 19.301 3.171 6.745 871 HA ARG 101 HA ARG 101 21.840 4.546 6.141 872 HB2 ARG 101 2HB ARG 101 19.089 4.919 4.920 873 HB3 ARG 101 1HB ARG 101 20.613 5.533 4.276 874 HG2 ARG 101 2HG ARG 101 21.431 3.168 4.113 875 HG3 ARG 101 1HG ARG 101 19.824 2.624 4.596 876 HD2 ARG 101 2HD ARG 101 18.822 3.606 2.636 877 HD3 ARG 101 1HD ARG 101 20.331 4.413 2.204 878 HE ARG 101 HE ARG 101 20.683 1.545 2.359 879 HH11 ARG 101 1HH2 ARG 101 19.458 4.156 0.468 880 HH12 ARG 101 2HH2 ARG 101 19.663 3.334 -1.043 881 HH21 ARG 101 1HH1 ARG 101 20.959 0.457 0.397 882 HH22 ARG 101 2HH1 ARG 101 20.512 1.240 -1.083 883 H ALA 102 H ALA 102 19.208 4.976 8.215 884 HA ALA 102 HA ALA 102 18.666 7.726 8.169 885 HB1 ALA 102 1HB ALA 102 18.274 7.477 10.655 886 HB2 ALA 102 2HB ALA 102 18.909 5.837 10.524 887 HB3 ALA 102 3HB ALA 102 17.438 6.284 9.660 888 H LYS 103 H LYS 103 21.277 6.083 10.012 889 HA LYS 103 HA LYS 103 22.444 8.649 10.802 890 HB2 LYS 103 2HB LYS 103 23.300 5.758 11.079 891 HB3 LYS 103 1HB LYS 103 24.307 7.097 11.632 892 HG2 LYS 103 2HG LYS 103 22.619 7.831 13.183 893 HG3 LYS 103 1HG LYS 103 21.432 6.716 12.504 894 HD2 LYS 103 2HD LYS 103 22.724 4.799 13.279 895 HD3 LYS 103 1HD LYS 103 24.008 5.862 13.859 896 HE2 LYS 103 2HE LYS 103 21.153 6.020 14.858 897 HE3 LYS 103 1HE LYS 103 22.403 5.062 15.651 898 HZ1 LYS 103 3HZ LYS 103 22.010 7.912 15.633 899 HZ2 LYS 103 1HZ LYS 103 23.609 7.451 15.303 900 HZ3 LYS 103 2HZ LYS 103 22.857 6.938 16.738 901 H HIS 104 H HIS 104 24.588 6.175 9.660 902 HA HIS 104 HA HIS 104 25.051 7.403 7.040 903 HB2 HIS 104 2HB HIS 104 27.349 8.097 7.492 904 HB3 HIS 104 1HB HIS 104 26.257 8.943 8.587 905 HD1 HIS 104 1HD HIS 104 29.173 8.632 9.431 906 HD2 HIS 104 2HD HIS 104 26.232 5.840 10.412 907 HE1 HIS 104 1HE HIS 104 30.019 7.380 11.465 908 HE2 HIS 104 2HE HIS 104 28.236 5.680 12.069 909 H GLN 105 H GLN 105 24.939 4.840 9.039 910 HA GLN 105 HA GLN 105 27.145 3.199 8.491 911 HB2 GLN 105 2HB GLN 105 25.119 2.714 9.984 912 HB3 GLN 105 1HB GLN 105 24.284 2.198 8.520 913 HG2 GLN 105 2HG GLN 105 26.006 0.507 8.098 914 HG3 GLN 105 1HG GLN 105 26.920 1.058 9.500 915 HE21 GLN 105 1HE2 GLN 105 26.270 -1.560 9.676 916 HE22 GLN 105 2HE2 GLN 105 24.953 -1.821 10.714 917 H LYS 106 H LYS 106 24.934 4.507 6.272 918 HA LYS 106 HA LYS 106 24.645 2.505 4.314 919 HB2 LYS 106 2HB LYS 106 23.644 4.841 4.287 920 HB3 LYS 106 1HB LYS 106 25.204 5.421 3.707 921 HG2 LYS 106 2HG LYS 106 25.059 3.987 1.743 922 HG3 LYS 106 1HG LYS 106 23.564 3.266 2.342 923 HD2 LYS 106 2HD LYS 106 22.467 5.485 2.249 924 HD3 LYS 106 1HD LYS 106 23.953 6.182 1.608 925 HE2 LYS 106 2HE LYS 106 23.829 4.710 -0.351 926 HE3 LYS 106 1HE LYS 106 22.374 3.951 0.295 927 HZ1 LYS 106 3HZ LYS 106 21.891 5.685 -1.352 928 HZ2 LYS 106 1HZ LYS 106 22.631 6.837 -0.352 929 HZ3 LYS 106 2HZ LYS 106 21.225 6.041 0.170 930 H SER 107 H SER 107 27.508 4.024 5.420 931 HA SER 107 HA SER 107 29.114 2.505 3.477 932 HB2 SER 107 2HB SER 107 28.579 4.719 2.367 933 HB3 SER 107 1HB SER 107 29.458 5.509 3.672 934 HG SER 107 HG SER 107 30.955 5.167 2.119 Start of MODEL 2 1 H1 LYS 1 1HT LYS 1 -1.463 10.316 0.033 2 H2 LYS 1 2HT LYS 1 0.065 9.581 -0.069 3 H3 LYS 1 3HT LYS 1 -0.606 9.943 1.449 4 HA LYS 1 HA LYS 1 -0.744 7.540 0.217 5 HB2 LYS 1 2HB LYS 1 -2.455 7.042 1.952 6 HB3 LYS 1 1HB LYS 1 -1.102 7.964 2.606 7 HG2 LYS 1 2HG LYS 1 -2.441 10.059 2.258 8 HG3 LYS 1 1HG LYS 1 -3.811 9.051 1.791 9 HD2 LYS 1 2HD LYS 1 -3.572 7.867 4.019 10 HD3 LYS 1 1HD LYS 1 -2.406 9.110 4.472 11 HE2 LYS 1 2HE LYS 1 -4.163 10.840 3.947 12 HE3 LYS 1 1HE LYS 1 -5.316 9.522 3.738 13 HZ1 LYS 1 2HZ LYS 1 -4.709 8.791 6.021 14 HZ2 LYS 1 3HZ LYS 1 -5.495 10.296 5.960 15 HZ3 LYS 1 1HZ LYS 1 -3.817 10.227 6.199 16 H VAL 2 H VAL 2 -3.467 6.704 0.464 17 HA VAL 2 HA VAL 2 -4.438 7.481 -2.190 18 HB VAL 2 HB VAL 2 -4.562 5.145 -1.370 19 HG11 VAL 2 1HG1 VAL 2 -6.756 6.051 0.502 20 HG12 VAL 2 2HG1 VAL 2 -5.080 5.926 1.038 21 HG13 VAL 2 3HG1 VAL 2 -5.925 4.497 0.452 22 HG21 VAL 2 3HG2 VAL 2 -6.239 6.173 -3.031 23 HG22 VAL 2 1HG2 VAL 2 -7.373 6.226 -1.681 24 HG23 VAL 2 2HG2 VAL 2 -6.731 4.680 -2.233 25 H LYS 3 H LYS 3 -6.824 8.089 -2.409 26 HA LYS 3 HA LYS 3 -7.366 10.550 -1.197 27 HB2 LYS 3 2HB LYS 3 -9.298 8.503 -2.316 28 HB3 LYS 3 1HB LYS 3 -9.745 10.159 -1.904 29 HG2 LYS 3 2HG LYS 3 -8.062 11.015 -3.488 30 HG3 LYS 3 1HG LYS 3 -7.600 9.363 -3.896 31 HD2 LYS 3 2HD LYS 3 -9.788 8.904 -4.812 32 HD3 LYS 3 1HD LYS 3 -10.408 10.449 -4.231 33 HE2 LYS 3 2HE LYS 3 -9.784 10.390 -6.697 34 HE3 LYS 3 1HE LYS 3 -9.029 11.678 -5.759 35 HZ1 LYS 3 3HZ LYS 3 -7.477 10.453 -7.227 36 HZ2 LYS 3 1HZ LYS 3 -7.750 9.058 -6.303 37 HZ3 LYS 3 2HZ LYS 3 -7.032 10.421 -5.588 38 H PHE 4 H PHE 4 -8.723 7.362 -0.234 39 HA PHE 4 HA PHE 4 -9.976 8.565 2.119 40 HB2 PHE 4 2HB PHE 4 -10.453 6.136 2.704 41 HB3 PHE 4 1HB PHE 4 -11.188 6.741 1.242 42 HD1 PHE 4 2HD PHE 4 -10.304 6.128 -0.951 43 HD2 PHE 4 1HD PHE 4 -8.726 4.409 2.650 44 HE1 PHE 4 2HE PHE 4 -9.263 4.319 -2.283 45 HE2 PHE 4 1HE PHE 4 -7.688 2.587 1.319 46 HZ PHE 4 HZ PHE 4 -7.965 2.545 -1.153 47 H THR 5 H THR 5 -9.512 7.800 4.335 48 HA THR 5 HA THR 5 -6.598 7.830 4.806 49 HB THR 5 HB THR 5 -7.873 9.311 6.193 50 HG1 THR 5 1HG THR 5 -6.188 7.913 7.141 51 HG21 THR 5 3HG2 THR 5 -9.506 6.854 6.848 52 HG22 THR 5 1HG2 THR 5 -10.059 8.312 6.028 53 HG23 THR 5 2HG2 THR 5 -9.621 8.372 7.736 54 H GLU 6 H GLU 6 -5.658 6.370 6.368 55 HA GLU 6 HA GLU 6 -5.862 3.664 5.716 56 HB2 GLU 6 2HB GLU 6 -5.044 4.886 8.368 57 HB3 GLU 6 1HB GLU 6 -4.736 3.214 7.899 58 HG2 GLU 6 2HG GLU 6 -3.418 3.976 5.973 59 HG3 GLU 6 1HG GLU 6 -3.755 5.656 6.391 60 H GLU 7 H GLU 7 -7.583 5.394 8.325 61 HA GLU 7 HA GLU 7 -8.825 3.251 9.616 62 HB2 GLU 7 2HB GLU 7 -10.172 5.868 8.892 63 HB3 GLU 7 1HB GLU 7 -10.622 4.787 10.209 64 HG2 GLU 7 2HG GLU 7 -7.922 6.145 9.957 65 HG3 GLU 7 1HG GLU 7 -9.240 6.726 10.974 66 H GLU 8 H GLU 8 -9.731 4.742 6.511 67 HA GLU 8 HA GLU 8 -12.147 3.197 6.217 68 HB2 GLU 8 2HB GLU 8 -10.367 4.681 4.319 69 HB3 GLU 8 1HB GLU 8 -11.810 3.844 3.757 70 HG2 GLU 8 2HG GLU 8 -11.851 5.908 5.982 71 HG3 GLU 8 1HG GLU 8 -12.149 6.315 4.295 72 H ASP 9 H ASP 9 -8.799 2.835 5.030 73 HA ASP 9 HA ASP 9 -9.032 0.536 3.457 74 HB2 ASP 9 2HB ASP 9 -6.879 1.680 3.841 75 HB3 ASP 9 1HB ASP 9 -6.857 1.083 5.499 76 H LEU 10 H LEU 10 -9.369 0.834 6.918 77 HA LEU 10 HA LEU 10 -9.256 -2.034 7.448 78 HB2 LEU 10 2HB LEU 10 -10.723 -0.091 9.242 79 HB3 LEU 10 1HB LEU 10 -9.730 -1.479 9.687 80 HG LEU 10 HG LEU 10 -8.746 1.152 8.570 81 HD11 LEU 10 1HD1 LEU 10 -8.365 -0.152 11.268 82 HD12 LEU 10 2HD1 LEU 10 -9.414 1.225 10.932 83 HD13 LEU 10 3HD1 LEU 10 -7.666 1.383 10.757 84 HD21 LEU 10 3HD2 LEU 10 -7.306 -1.425 9.226 85 HD22 LEU 10 1HD2 LEU 10 -6.471 0.122 9.082 86 HD23 LEU 10 2HD2 LEU 10 -7.310 -0.559 7.690 87 H LYS 11 H LYS 11 -11.753 0.417 6.863 88 HA LYS 11 HA LYS 11 -14.016 -1.292 7.239 89 HB2 LYS 11 2HB LYS 11 -13.666 1.080 5.373 90 HB3 LYS 11 1HB LYS 11 -15.211 0.319 5.751 91 HG2 LYS 11 2HG LYS 11 -14.719 0.771 8.200 92 HG3 LYS 11 1HG LYS 11 -13.354 1.753 7.665 93 HD2 LYS 11 2HD LYS 11 -14.993 3.061 6.235 94 HD3 LYS 11 1HD LYS 11 -16.289 2.196 7.061 95 HE2 LYS 11 2HE LYS 11 -15.395 3.018 9.242 96 HE3 LYS 11 1HE LYS 11 -14.194 3.963 8.360 97 HZ1 LYS 11 3HZ LYS 11 -16.543 4.608 7.154 98 HZ2 LYS 11 1HZ LYS 11 -15.732 5.550 8.309 99 HZ3 LYS 11 2HZ LYS 11 -16.974 4.497 8.793 100 H LEU 12 H LEU 12 -11.880 -0.723 4.455 101 HA LEU 12 HA LEU 12 -13.326 -2.159 2.502 102 HB2 LEU 12 2HB LEU 12 -10.411 -1.584 2.956 103 HB3 LEU 12 1HB LEU 12 -10.833 -2.763 1.722 104 HG LEU 12 HG LEU 12 -12.261 -1.099 0.608 105 HD11 LEU 12 1HD1 LEU 12 -12.970 0.220 2.522 106 HD12 LEU 12 2HD1 LEU 12 -12.113 1.281 1.404 107 HD13 LEU 12 3HD1 LEU 12 -11.307 0.694 2.852 108 HD21 LEU 12 3HD2 LEU 12 -9.968 -1.198 -0.131 109 HD22 LEU 12 1HD2 LEU 12 -9.425 -0.242 1.249 110 HD23 LEU 12 2HD2 LEU 12 -10.399 0.508 -0.015 111 H GLN 13 H GLN 13 -10.931 -3.352 4.895 112 HA GLN 13 HA GLN 13 -10.951 -6.065 4.127 113 HB2 GLN 13 2HB GLN 13 -9.522 -5.070 5.936 114 HB3 GLN 13 1HB GLN 13 -10.942 -5.035 6.981 115 HG2 GLN 13 2HG GLN 13 -11.168 -7.501 6.719 116 HG3 GLN 13 1HG GLN 13 -9.701 -7.511 5.742 117 HE21 GLN 13 1HE2 GLN 13 -10.340 -5.560 8.682 118 HE22 GLN 13 2HE2 GLN 13 -9.085 -6.243 9.598 119 H GLN 14 H GLN 14 -13.319 -4.260 6.060 120 HA GLN 14 HA GLN 14 -14.918 -6.655 6.632 121 HB2 GLN 14 2HB GLN 14 -15.668 -3.738 6.866 122 HB3 GLN 14 1HB GLN 14 -16.519 -5.100 7.593 123 HG2 GLN 14 2HG GLN 14 -13.626 -4.399 8.172 124 HG3 GLN 14 1HG GLN 14 -14.983 -3.927 9.197 125 HE21 GLN 14 1HE2 GLN 14 -12.881 -5.669 10.135 126 HE22 GLN 14 2HE2 GLN 14 -13.559 -7.198 10.423 127 H LEU 15 H LEU 15 -15.557 -3.729 4.638 128 HA LEU 15 HA LEU 15 -17.960 -4.752 3.489 129 HB2 LEU 15 2HB LEU 15 -15.993 -2.600 2.709 130 HB3 LEU 15 1HB LEU 15 -17.278 -3.038 1.586 131 HG LEU 15 HG LEU 15 -18.974 -2.552 3.284 132 HD11 LEU 15 1HD1 LEU 15 -18.195 -1.444 5.428 133 HD12 LEU 15 2HD1 LEU 15 -16.564 -1.975 5.024 134 HD13 LEU 15 3HD1 LEU 15 -17.832 -3.165 5.312 135 HD21 LEU 15 3HD2 LEU 15 -16.886 -0.393 2.875 136 HD22 LEU 15 1HD2 LEU 15 -18.479 -0.080 3.563 137 HD23 LEU 15 2HD2 LEU 15 -18.334 -0.676 1.910 138 H VAL 16 H VAL 16 -14.658 -4.639 2.141 139 HA VAL 16 HA VAL 16 -15.207 -6.094 -0.219 140 HB VAL 16 HB VAL 16 -12.640 -6.211 1.392 141 HG11 VAL 16 1HG1 VAL 16 -11.637 -6.534 -0.861 142 HG12 VAL 16 2HG1 VAL 16 -13.258 -6.578 -1.550 143 HG13 VAL 16 3HG1 VAL 16 -12.743 -7.835 -0.424 144 HG21 VAL 16 3HG2 VAL 16 -11.939 -4.220 0.218 145 HG22 VAL 16 1HG2 VAL 16 -13.519 -3.858 0.903 146 HG23 VAL 16 2HG2 VAL 16 -13.378 -4.249 -0.797 147 H MET 17 H MET 17 -14.713 -7.186 3.119 148 HA MET 17 HA MET 17 -14.412 -9.977 2.403 149 HB2 MET 17 2HB MET 17 -13.627 -9.401 4.559 150 HB3 MET 17 1HB MET 17 -15.073 -8.476 4.939 151 HG2 MET 17 2HG MET 17 -14.873 -10.732 6.087 152 HG3 MET 17 1HG MET 17 -16.378 -10.460 5.212 153 HE1 MET 17 3HE MET 17 -16.754 -13.268 5.171 154 HE2 MET 17 1HE MET 17 -15.364 -13.055 6.245 155 HE3 MET 17 2HE MET 17 -15.319 -14.269 4.968 156 H ARG 18 H ARG 18 -17.121 -7.794 2.951 157 HA ARG 18 HA ARG 18 -19.115 -9.944 2.993 158 HB2 ARG 18 2HB ARG 18 -19.414 -7.706 4.130 159 HB3 ARG 18 1HB ARG 18 -19.554 -6.981 2.527 160 HG2 ARG 18 2HG ARG 18 -21.491 -8.367 2.020 161 HG3 ARG 18 1HG ARG 18 -21.316 -9.227 3.550 162 HD2 ARG 18 2HD ARG 18 -21.923 -6.274 3.224 163 HD3 ARG 18 1HD ARG 18 -23.058 -7.515 3.755 164 HE ARG 18 HE ARG 18 -20.871 -7.653 5.516 165 HH11 ARG 18 1HH2 ARG 18 -23.251 -5.387 4.473 166 HH12 ARG 18 2HH2 ARG 18 -23.303 -4.544 5.986 167 HH21 ARG 18 1HH1 ARG 18 -20.925 -6.565 7.497 168 HH22 ARG 18 2HH1 ARG 18 -21.986 -5.211 7.697 169 H TYR 19 H TYR 19 -17.779 -7.682 0.616 170 HA TYR 19 HA TYR 19 -19.603 -8.718 -1.495 171 HB2 TYR 19 2HB TYR 19 -17.421 -6.609 -1.650 172 HB3 TYR 19 1HB TYR 19 -18.616 -6.969 -2.895 173 HD1 TYR 19 2HD TYR 19 -21.137 -6.933 -2.072 174 HD2 TYR 19 1HD TYR 19 -17.912 -4.864 -0.128 175 HE1 TYR 19 2HE TYR 19 -22.764 -5.417 -0.981 176 HE2 TYR 19 1HE TYR 19 -19.541 -3.352 0.963 177 HH TYR 19 HH TYR 19 -21.775 -3.123 1.485 178 H GLY 20 H GLY 20 -16.640 -9.481 -0.125 179 HA2 GLY 20 2HA GLY 20 -15.145 -11.202 -0.756 180 HA3 GLY 20 1HA GLY 20 -15.991 -11.336 -2.300 181 H ALA 21 H ALA 21 -15.734 -9.305 -3.700 182 HA ALA 21 HA ALA 21 -13.883 -7.330 -3.717 183 HB1 ALA 21 1HB ALA 21 -11.846 -8.589 -4.896 184 HB2 ALA 21 2HB ALA 21 -12.467 -9.974 -4.000 185 HB3 ALA 21 3HB ALA 21 -11.947 -8.526 -3.140 186 H LYS 22 H LYS 22 -16.174 -7.819 -5.102 187 HA LYS 22 HA LYS 22 -15.244 -7.683 -7.924 188 HB2 LYS 22 2HB LYS 22 -16.926 -9.304 -8.676 189 HB3 LYS 22 1HB LYS 22 -15.799 -10.055 -7.545 190 HG2 LYS 22 2HG LYS 22 -17.467 -9.553 -5.704 191 HG3 LYS 22 1HG LYS 22 -18.609 -9.085 -6.964 192 HD2 LYS 22 2HD LYS 22 -18.372 -11.331 -7.991 193 HD3 LYS 22 1HD LYS 22 -17.280 -11.797 -6.686 194 HE2 LYS 22 2HE LYS 22 -19.592 -12.569 -6.247 195 HE3 LYS 22 1HE LYS 22 -19.058 -11.404 -5.035 196 HZ1 LYS 22 3HZ LYS 22 -20.711 -10.066 -5.593 197 HZ2 LYS 22 1HZ LYS 22 -21.291 -11.239 -6.671 198 HZ3 LYS 22 2HZ LYS 22 -20.213 -10.045 -7.218 199 H ASP 23 H ASP 23 -17.456 -6.718 -5.465 200 HA ASP 23 HA ASP 23 -19.196 -5.311 -7.465 201 HB2 ASP 23 2HB ASP 23 -19.746 -5.662 -4.506 202 HB3 ASP 23 1HB ASP 23 -20.880 -5.217 -5.781 203 H TRP 24 H TRP 24 -16.702 -4.260 -7.136 204 HA TRP 24 HA TRP 24 -16.409 -2.374 -5.019 205 HB2 TRP 24 2HB TRP 24 -15.296 -2.270 -7.837 206 HB3 TRP 24 1HB TRP 24 -14.708 -1.329 -6.460 207 HD1 TRP 24 HD TRP 24 -14.586 -4.789 -7.987 208 HE1 TRP 24 1HE TRP 24 -13.007 -6.264 -6.574 209 HE3 TRP 24 3HE TRP 24 -13.869 -1.703 -4.031 210 HZ2 TRP 24 2HZ TRP 24 -11.613 -6.123 -4.063 211 HZ3 TRP 24 3HZ TRP 24 -12.410 -2.355 -2.148 212 HH2 TRP 24 HH TRP 24 -11.292 -4.569 -2.147 213 H ILE 25 H ILE 25 -18.544 -2.377 -7.674 214 HA ILE 25 HA ILE 25 -18.756 0.496 -8.004 215 HB ILE 25 HB ILE 25 -21.035 -0.192 -9.040 216 HG12 ILE 25 2HG1 ILE 25 -19.786 -2.950 -8.858 217 HG13 ILE 25 1HG1 ILE 25 -21.042 -2.396 -7.754 218 HG21 ILE 25 1HG2 ILE 25 -19.895 -1.160 -11.054 219 HG22 ILE 25 2HG2 ILE 25 -18.418 -1.301 -10.100 220 HG23 ILE 25 3HG2 ILE 25 -19.103 0.289 -10.435 221 HD11 ILE 25 3HD1 ILE 25 -22.035 -3.648 -9.623 222 HD12 ILE 25 1HD1 ILE 25 -21.281 -2.544 -10.773 223 HD13 ILE 25 2HD1 ILE 25 -22.534 -1.957 -9.680 224 H ARG 26 H ARG 26 -20.240 -1.950 -5.958 225 HA ARG 26 HA ARG 26 -22.248 -0.139 -4.884 226 HB2 ARG 26 2HB ARG 26 -21.249 -2.874 -4.056 227 HB3 ARG 26 1HB ARG 26 -22.482 -2.002 -3.146 228 HG2 ARG 26 2HG ARG 26 -23.899 -1.893 -5.160 229 HG3 ARG 26 1HG ARG 26 -22.668 -2.767 -6.074 230 HD2 ARG 26 2HD ARG 26 -22.913 -4.717 -4.676 231 HD3 ARG 26 1HD ARG 26 -23.975 -3.849 -3.569 232 HE ARG 26 HE ARG 26 -25.212 -3.705 -6.085 233 HH11 ARG 26 1HH2 ARG 26 -24.128 -6.097 -3.849 234 HH12 ARG 26 2HH2 ARG 26 -25.339 -7.251 -4.293 235 HH21 ARG 26 1HH1 ARG 26 -26.800 -5.201 -6.676 236 HH22 ARG 26 2HH1 ARG 26 -26.852 -6.745 -5.894 237 H ILE 27 H ILE 27 -19.195 -1.552 -3.736 238 HA ILE 27 HA ILE 27 -19.133 -0.309 -1.215 239 HB ILE 27 HB ILE 27 -16.783 -0.881 -3.037 240 HG12 ILE 27 2HG1 ILE 27 -18.033 -2.583 -0.858 241 HG13 ILE 27 1HG1 ILE 27 -18.327 -2.816 -2.581 242 HG21 ILE 27 1HG2 ILE 27 -17.023 -0.399 -0.054 243 HG22 ILE 27 2HG2 ILE 27 -16.106 0.558 -1.217 244 HG23 ILE 27 3HG2 ILE 27 -15.583 -1.074 -0.812 245 HD11 ILE 27 3HD1 ILE 27 -16.589 -4.351 -2.030 246 HD12 ILE 27 1HD1 ILE 27 -15.725 -3.146 -1.076 247 HD13 ILE 27 2HD1 ILE 27 -15.777 -3.009 -2.833 248 H SER 28 H SER 28 -18.237 0.942 -4.399 249 HA SER 28 HA SER 28 -17.110 3.407 -3.346 250 HB2 SER 28 2HB SER 28 -18.060 2.603 -6.099 251 HB3 SER 28 1HB SER 28 -17.333 4.168 -5.744 252 HG SER 28 HG SER 28 -15.470 3.222 -5.797 253 H GLN 29 H GLN 29 -20.323 2.333 -4.287 254 HA GLN 29 HA GLN 29 -21.519 4.933 -4.536 255 HB2 GLN 29 2HB GLN 29 -22.614 2.197 -3.863 256 HB3 GLN 29 1HB GLN 29 -23.664 3.610 -3.852 257 HG2 GLN 29 2HG GLN 29 -21.904 3.032 -6.246 258 HG3 GLN 29 1HG GLN 29 -23.459 2.223 -6.065 259 HE21 GLN 29 1HE2 GLN 29 -25.347 3.433 -6.554 260 HE22 GLN 29 2HE2 GLN 29 -25.324 5.068 -7.005 261 H LEU 30 H LEU 30 -21.116 2.762 -1.739 262 HA LEU 30 HA LEU 30 -22.399 4.606 0.104 263 HB2 LEU 30 2HB LEU 30 -20.387 2.489 0.907 264 HB3 LEU 30 1HB LEU 30 -21.791 3.070 1.804 265 HG LEU 30 HG LEU 30 -21.833 1.405 -0.730 266 HD11 LEU 30 1HD1 LEU 30 -21.266 0.162 1.322 267 HD12 LEU 30 2HD1 LEU 30 -22.871 -0.282 0.741 268 HD13 LEU 30 3HD1 LEU 30 -22.701 0.812 2.115 269 HD21 LEU 30 3HD2 LEU 30 -24.342 1.365 -0.217 270 HD22 LEU 30 1HD2 LEU 30 -23.714 2.887 -0.844 271 HD23 LEU 30 2HD2 LEU 30 -24.044 2.713 0.879 272 H MET 31 H MET 31 -19.060 3.818 -0.777 273 HA MET 31 HA MET 31 -18.087 6.225 0.731 274 HB2 MET 31 2HB MET 31 -16.687 3.714 -0.227 275 HB3 MET 31 1HB MET 31 -15.830 5.115 0.415 276 HG2 MET 31 2HG MET 31 -18.038 3.701 1.930 277 HG3 MET 31 1HG MET 31 -16.332 3.291 2.111 278 HE1 MET 31 3HE MET 31 -18.889 4.710 3.969 279 HE2 MET 31 1HE MET 31 -17.858 5.485 5.178 280 HE3 MET 31 2HE MET 31 -17.515 3.840 4.647 281 H ILE 32 H ILE 32 -19.106 7.336 -1.282 282 HA ILE 32 HA ILE 32 -17.911 7.093 -3.863 283 HB ILE 32 HB ILE 32 -18.736 9.500 -4.131 284 HG12 ILE 32 2HG1 ILE 32 -19.867 9.009 -1.360 285 HG13 ILE 32 1HG1 ILE 32 -18.429 9.988 -1.647 286 HG21 ILE 32 1HG2 ILE 32 -20.714 7.504 -2.989 287 HG22 ILE 32 2HG2 ILE 32 -20.120 7.488 -4.649 288 HG23 ILE 32 3HG2 ILE 32 -21.089 8.843 -4.072 289 HD11 ILE 32 3HD1 ILE 32 -20.477 11.376 -1.513 290 HD12 ILE 32 1HD1 ILE 32 -21.146 10.494 -2.886 291 HD13 ILE 32 2HD1 ILE 32 -19.706 11.490 -3.095 292 H THR 33 H THR 33 -16.616 8.189 -0.946 293 HA THR 33 HA THR 33 -14.972 10.349 -1.554 294 HB THR 33 HB THR 33 -13.323 9.285 0.086 295 HG1 THR 33 1HG THR 33 -14.005 7.385 1.042 296 HG21 THR 33 3HG2 THR 33 -14.921 9.450 1.987 297 HG22 THR 33 1HG2 THR 33 -16.254 9.462 0.834 298 HG23 THR 33 2HG2 THR 33 -15.090 10.787 0.849 299 H ARG 34 H ARG 34 -14.872 7.232 -2.995 300 HA ARG 34 HA ARG 34 -12.609 8.082 -4.662 301 HB2 ARG 34 2HB ARG 34 -11.277 6.034 -4.242 302 HB3 ARG 34 1HB ARG 34 -11.367 7.077 -2.834 303 HG2 ARG 34 2HG ARG 34 -13.220 4.709 -3.250 304 HG3 ARG 34 1HG ARG 34 -11.683 4.585 -2.407 305 HD2 ARG 34 2HD ARG 34 -12.633 6.590 -0.960 306 HD3 ARG 34 1HD ARG 34 -14.187 5.997 -1.542 307 HE ARG 34 HE ARG 34 -12.532 4.703 0.432 308 HH11 ARG 34 1HH2 ARG 34 -14.666 4.216 -2.234 309 HH12 ARG 34 2HH2 ARG 34 -15.234 2.679 -1.671 310 HH21 ARG 34 1HH1 ARG 34 -13.266 2.700 1.183 311 HH22 ARG 34 2HH1 ARG 34 -14.442 1.822 0.262 312 H ASN 35 H ASN 35 -12.135 6.243 -6.320 313 HA ASN 35 HA ASN 35 -14.757 5.427 -7.372 314 HB2 ASN 35 2HB ASN 35 -12.205 4.779 -8.824 315 HB3 ASN 35 1HB ASN 35 -13.732 5.374 -9.472 316 HD21 ASN 35 1HD2 ASN 35 -10.767 6.404 -9.535 317 HD22 ASN 35 2HD2 ASN 35 -10.936 8.049 -9.156 318 HA PRO 36 HA PRO 36 -14.463 1.105 -6.515 319 HB2 PRO 36 2HB PRO 36 -14.501 0.207 -9.349 320 HB3 PRO 36 1HB PRO 36 -15.736 -0.003 -8.095 321 HG2 PRO 36 2HG PRO 36 -16.098 1.671 -10.163 322 HG3 PRO 36 1HG PRO 36 -16.747 2.015 -8.547 323 HD2 PRO 36 2HD PRO 36 -14.276 3.134 -9.859 324 HD3 PRO 36 1HD PRO 36 -15.519 3.968 -8.898 325 H ARG 37 H ARG 37 -12.504 1.675 -9.450 326 HA ARG 37 HA ARG 37 -10.643 -0.428 -9.018 327 HB2 ARG 37 2HB ARG 37 -10.155 2.238 -10.376 328 HB3 ARG 37 1HB ARG 37 -9.206 0.768 -10.596 329 HG2 ARG 37 2HG ARG 37 -11.142 -0.388 -11.532 330 HG3 ARG 37 1HG ARG 37 -12.158 1.022 -11.233 331 HD2 ARG 37 2HD ARG 37 -10.588 2.346 -12.717 332 HD3 ARG 37 1HD ARG 37 -9.825 0.816 -13.151 333 HE ARG 37 HE ARG 37 -12.363 1.778 -14.152 334 HH11 ARG 37 1HH2 ARG 37 -10.571 -1.001 -13.172 335 HH12 ARG 37 2HH2 ARG 37 -11.449 -2.091 -14.191 336 HH21 ARG 37 1HH1 ARG 37 -13.519 0.370 -15.488 337 HH22 ARG 37 2HH1 ARG 37 -13.118 -1.315 -15.503 338 H GLN 38 H GLN 38 -10.903 2.778 -7.636 339 HA GLN 38 HA GLN 38 -8.224 3.044 -6.684 340 HB2 GLN 38 2HB GLN 38 -10.829 4.149 -5.612 341 HB3 GLN 38 1HB GLN 38 -9.245 4.616 -5.001 342 HG2 GLN 38 2HG GLN 38 -10.008 4.830 -7.924 343 HG3 GLN 38 1HG GLN 38 -10.208 6.156 -6.779 344 HE21 GLN 38 1HE2 GLN 38 -8.244 7.131 -5.868 345 HE22 GLN 38 2HE2 GLN 38 -6.728 6.879 -6.590 346 H CYS 39 H CYS 39 -11.145 1.720 -5.016 347 HA CYS 39 HA CYS 39 -9.598 1.006 -2.668 348 HB2 CYS 39 2HB CYS 39 -12.229 -0.156 -3.593 349 HB3 CYS 39 1HB CYS 39 -11.590 -0.159 -1.953 350 HG CYS 39 HG CYS 39 -12.579 2.078 -1.639 351 H ARG 40 H ARG 40 -10.506 -0.600 -5.673 352 HA ARG 40 HA ARG 40 -9.913 -3.259 -4.988 353 HB2 ARG 40 2HB ARG 40 -10.872 -2.667 -7.159 354 HB3 ARG 40 1HB ARG 40 -9.399 -1.806 -7.595 355 HG2 ARG 40 2HG ARG 40 -9.542 -4.085 -8.621 356 HG3 ARG 40 1HG ARG 40 -8.119 -3.875 -7.610 357 HD2 ARG 40 2HD ARG 40 -8.984 -5.245 -5.899 358 HD3 ARG 40 1HD ARG 40 -10.650 -5.030 -6.439 359 HE ARG 40 HE ARG 40 -10.335 -6.870 -7.860 360 HH11 ARG 40 1HH2 ARG 40 -7.330 -5.397 -7.017 361 HH12 ARG 40 2HH2 ARG 40 -6.372 -6.563 -7.866 362 HH21 ARG 40 1HH1 ARG 40 -9.098 -8.399 -8.968 363 HH22 ARG 40 2HH1 ARG 40 -7.371 -8.263 -8.968 364 H GLU 41 H GLU 41 -7.696 -0.803 -6.333 365 HA GLU 41 HA GLU 41 -5.343 -2.352 -6.319 366 HB2 GLU 41 2HB GLU 41 -5.749 0.613 -5.847 367 HB3 GLU 41 1HB GLU 41 -4.156 -0.123 -6.026 368 HG2 GLU 41 2HG GLU 41 -6.360 -0.442 -8.079 369 HG3 GLU 41 1HG GLU 41 -5.145 0.834 -8.161 370 H ARG 42 H ARG 42 -7.030 -0.787 -3.675 371 HA ARG 42 HA ARG 42 -4.865 -0.993 -1.777 372 HB2 ARG 42 2HB ARG 42 -6.962 0.471 -1.598 373 HB3 ARG 42 1HB ARG 42 -7.821 -0.982 -1.125 374 HG2 ARG 42 2HG ARG 42 -7.130 0.196 0.880 375 HG3 ARG 42 1HG ARG 42 -6.224 -1.306 0.748 376 HD2 ARG 42 2HD ARG 42 -4.991 0.997 1.326 377 HD3 ARG 42 1HD ARG 42 -4.207 -0.212 0.314 378 HE ARG 42 HE ARG 42 -5.796 1.761 -1.173 379 HH11 ARG 42 1HH2 ARG 42 -2.760 0.893 0.219 380 HH12 ARG 42 2HH2 ARG 42 -1.840 1.925 -0.823 381 HH21 ARG 42 1HH1 ARG 42 -4.610 3.113 -2.537 382 HH22 ARG 42 2HH1 ARG 42 -2.886 3.182 -2.382 383 H TRP 43 H TRP 43 -7.646 -3.037 -2.566 384 HA TRP 43 HA TRP 43 -7.546 -5.019 -0.646 385 HB2 TRP 43 2HB TRP 43 -9.049 -4.803 -2.699 386 HB3 TRP 43 1HB TRP 43 -7.765 -5.567 -3.613 387 HD1 TRP 43 HD TRP 43 -9.032 -6.612 -0.092 388 HE1 TRP 43 1HE TRP 43 -9.848 -9.041 -0.235 389 HE3 TRP 43 3HE TRP 43 -8.469 -7.432 -5.099 390 HZ2 TRP 43 2HZ TRP 43 -10.223 -11.074 -2.208 391 HZ3 TRP 43 3HZ TRP 43 -9.069 -9.625 -6.083 392 HH2 TRP 43 HH TRP 43 -9.945 -11.446 -4.646 393 H ASN 44 H ASN 44 -5.734 -5.150 -3.682 394 HA ASN 44 HA ASN 44 -4.104 -7.375 -2.835 395 HB2 ASN 44 2HB ASN 44 -3.565 -5.395 -5.061 396 HB3 ASN 44 1HB ASN 44 -2.874 -7.010 -4.897 397 HD21 ASN 44 1HD2 ASN 44 -6.189 -5.556 -4.842 398 HD22 ASN 44 2HD2 ASN 44 -6.885 -6.760 -5.815 399 H ASN 45 H ASN 45 -3.747 -3.894 -2.544 400 HA ASN 45 HA ASN 45 -0.886 -4.177 -1.765 401 HB2 ASN 45 2HB ASN 45 -2.602 -1.681 -1.921 402 HB3 ASN 45 1HB ASN 45 -0.845 -1.751 -1.779 403 HD21 ASN 45 1HD2 ASN 45 -2.528 -0.609 -4.021 404 HD22 ASN 45 2HD2 ASN 45 -2.013 -1.425 -5.418 405 H TYR 46 H TYR 46 -3.581 -4.840 -0.095 406 HA TYR 46 HA TYR 46 -2.302 -3.995 2.434 407 HB2 TYR 46 2HB TYR 46 -4.195 -2.313 1.426 408 HB3 TYR 46 1HB TYR 46 -5.223 -3.382 2.373 409 HD1 TYR 46 1HD TYR 46 -3.939 -4.060 4.747 410 HD2 TYR 46 2HD TYR 46 -3.522 -0.369 2.585 411 HE1 TYR 46 1HE TYR 46 -3.243 -2.918 6.831 412 HE2 TYR 46 2HE TYR 46 -2.827 0.770 4.671 413 HH TYR 46 HH TYR 46 -3.097 0.455 7.118 414 H ILE 47 H ILE 47 -5.340 -5.510 1.215 415 HA ILE 47 HA ILE 47 -4.636 -7.898 2.826 416 HB ILE 47 HB ILE 47 -6.558 -7.982 4.157 417 HG12 ILE 47 2HG1 ILE 47 -8.296 -7.507 2.461 418 HG13 ILE 47 1HG1 ILE 47 -8.545 -6.556 3.910 419 HG21 ILE 47 1HG2 ILE 47 -5.035 -6.206 4.898 420 HG22 ILE 47 2HG2 ILE 47 -6.706 -5.817 5.301 421 HG23 ILE 47 3HG2 ILE 47 -5.925 -5.028 3.935 422 HD11 ILE 47 3HD1 ILE 47 -8.829 -5.233 1.802 423 HD12 ILE 47 1HD1 ILE 47 -7.129 -5.503 1.470 424 HD13 ILE 47 2HD1 ILE 47 -7.599 -4.587 2.884 425 H ASN 48 H ASN 48 -4.782 -9.562 1.579 426 HA ASN 48 HA ASN 48 -7.049 -10.428 0.159 427 HB2 ASN 48 2HB ASN 48 -6.968 -9.297 -1.820 428 HB3 ASN 48 1HB ASN 48 -5.530 -8.465 -1.302 429 HD21 ASN 48 1HD2 ASN 48 -3.550 -9.035 -2.306 430 HD22 ASN 48 2HD2 ASN 48 -3.400 -10.297 -3.431 431 HA PRO 49 HA PRO 49 -3.475 -13.401 -0.526 432 HB2 PRO 49 2HB PRO 49 -0.924 -12.541 -0.790 433 HB3 PRO 49 1HB PRO 49 -2.134 -12.251 -2.056 434 HG2 PRO 49 2HG PRO 49 -0.891 -10.320 -0.217 435 HG3 PRO 49 1HG PRO 49 -1.757 -10.021 -1.728 436 HD2 PRO 49 2HD PRO 49 -2.802 -9.915 1.037 437 HD3 PRO 49 1HD PRO 49 -3.557 -9.327 -0.451 438 H ALA 50 H ALA 50 -3.199 -11.281 2.135 439 HA ALA 50 HA ALA 50 -2.597 -11.698 4.362 440 HB1 ALA 50 1HB ALA 50 -1.626 -14.483 3.720 441 HB2 ALA 50 2HB ALA 50 -3.351 -14.146 3.601 442 HB3 ALA 50 3HB ALA 50 -2.512 -13.903 5.131 443 H LEU 51 H LEU 51 -0.929 -10.241 3.055 444 HA LEU 51 HA LEU 51 1.786 -11.415 2.979 445 HB2 LEU 51 2HB LEU 51 2.290 -8.887 2.315 446 HB3 LEU 51 1HB LEU 51 1.545 -9.978 1.153 447 HG LEU 51 HG LEU 51 -0.685 -9.111 1.739 448 HD11 LEU 51 1HD1 LEU 51 -0.477 -8.528 4.037 449 HD12 LEU 51 2HD1 LEU 51 -0.734 -7.006 3.187 450 HD13 LEU 51 3HD1 LEU 51 0.888 -7.456 3.716 451 HD21 LEU 51 3HD2 LEU 51 -0.494 -7.040 0.613 452 HD22 LEU 51 1HD2 LEU 51 0.882 -7.976 0.030 453 HD23 LEU 51 2HD2 LEU 51 1.114 -6.742 1.267 454 H ARG 52 H ARG 52 0.335 -11.113 5.543 455 HA ARG 52 HA ARG 52 1.261 -8.897 7.051 456 HB2 ARG 52 2HB ARG 52 0.840 -11.752 7.994 457 HB3 ARG 52 1HB ARG 52 0.910 -10.324 9.027 458 HG2 ARG 52 2HG ARG 52 -1.091 -9.418 8.044 459 HG3 ARG 52 1HG ARG 52 -1.099 -10.654 6.786 460 HD2 ARG 52 2HD ARG 52 -2.712 -11.069 8.703 461 HD3 ARG 52 1HD ARG 52 -1.587 -12.389 8.376 462 HE ARG 52 HE ARG 52 -0.436 -10.651 10.335 463 HH11 ARG 52 1HH2 ARG 52 -2.979 -12.928 9.836 464 HH12 ARG 52 2HH2 ARG 52 -3.024 -13.441 11.490 465 HH21 ARG 52 1HH1 ARG 52 -0.481 -11.310 12.497 466 HH22 ARG 52 2HH1 ARG 52 -1.610 -12.525 12.996 467 H THR 53 H THR 53 3.069 -11.243 5.484 468 HA THR 53 HA THR 53 5.523 -10.382 6.858 469 HB THR 53 HB THR 53 4.858 -13.338 6.790 470 HG1 THR 53 1HG THR 53 4.670 -12.976 9.114 471 HG21 THR 53 3HG2 THR 53 7.264 -12.635 6.787 472 HG22 THR 53 1HG2 THR 53 6.802 -13.538 8.229 473 HG23 THR 53 2HG2 THR 53 6.974 -11.785 8.304 474 H ASP 54 H ASP 54 5.365 -9.631 4.455 475 HA ASP 54 HA ASP 54 6.770 -11.657 2.731 476 HB2 ASP 54 2HB ASP 54 4.379 -11.301 2.030 477 HB3 ASP 54 1HB ASP 54 4.765 -9.599 1.772 478 HA PRO 55 HA PRO 55 9.018 -7.572 3.142 479 HB2 PRO 55 2HB PRO 55 11.395 -8.482 4.090 480 HB3 PRO 55 1HB PRO 55 10.003 -8.212 5.159 481 HG2 PRO 55 2HG PRO 55 10.962 -10.771 3.935 482 HG3 PRO 55 1HG PRO 55 10.483 -10.445 5.613 483 HD2 PRO 55 2HD PRO 55 8.786 -11.613 3.825 484 HD3 PRO 55 1HD PRO 55 8.194 -10.549 5.122 485 H TRP 56 H TRP 56 10.140 -6.756 1.469 486 HA TRP 56 HA TRP 56 10.960 -8.503 -0.734 487 HB2 TRP 56 2HB TRP 56 11.761 -6.093 -1.592 488 HB3 TRP 56 1HB TRP 56 10.073 -6.566 -1.641 489 HD1 TRP 56 HD TRP 56 8.428 -5.482 0.106 490 HE1 TRP 56 1HE TRP 56 8.581 -3.374 1.579 491 HE3 TRP 56 3HE TRP 56 13.437 -4.626 -0.200 492 HZ2 TRP 56 2HZ TRP 56 10.608 -1.543 2.481 493 HZ3 TRP 56 3HZ TRP 56 14.454 -2.698 0.954 494 HH2 TRP 56 HH TRP 56 13.054 -1.154 2.301 495 H SER 57 H SER 57 13.240 -7.290 -1.732 496 HA SER 57 HA SER 57 15.293 -7.671 0.428 497 HB2 SER 57 2HB SER 57 16.199 -9.448 -0.707 498 HB3 SER 57 1HB SER 57 14.737 -9.447 -1.680 499 HG SER 57 HG SER 57 16.896 -7.726 -2.266 500 HA PRO 58 HA PRO 58 17.643 -4.173 -0.905 501 HB2 PRO 58 2HB PRO 58 19.610 -5.977 -2.312 502 HB3 PRO 58 1HB PRO 58 19.926 -4.619 -1.207 503 HG2 PRO 58 2HG PRO 58 20.121 -7.096 -0.321 504 HG3 PRO 58 1HG PRO 58 19.336 -5.857 0.679 505 HD2 PRO 58 2HD PRO 58 18.071 -8.068 -0.914 506 HD3 PRO 58 1HD PRO 58 17.577 -7.386 0.652 507 H GLU 59 H GLU 59 16.648 -6.467 -3.277 508 HA GLU 59 HA GLU 59 17.337 -5.048 -5.660 509 HB2 GLU 59 2HB GLU 59 15.029 -6.951 -5.127 510 HB3 GLU 59 1HB GLU 59 15.576 -6.436 -6.722 511 HG2 GLU 59 2HG GLU 59 17.816 -7.401 -6.242 512 HG3 GLU 59 1HG GLU 59 17.213 -7.976 -4.686 513 H GLU 60 H GLU 60 14.447 -5.081 -3.552 514 HA GLU 60 HA GLU 60 13.103 -3.043 -5.142 515 HB2 GLU 60 2HB GLU 60 12.666 -4.093 -2.344 516 HB3 GLU 60 1HB GLU 60 11.649 -2.855 -3.069 517 HG2 GLU 60 2HG GLU 60 10.632 -5.063 -3.395 518 HG3 GLU 60 1HG GLU 60 11.136 -4.393 -4.943 519 H ASP 61 H ASP 61 15.300 -3.112 -2.387 520 HA ASP 61 HA ASP 61 14.995 -0.397 -1.559 521 HB2 ASP 61 2HB ASP 61 16.330 -2.264 -0.396 522 HB3 ASP 61 1HB ASP 61 17.625 -1.903 -1.533 523 H MET 62 H MET 62 17.507 -1.809 -3.688 524 HA MET 62 HA MET 62 18.562 0.693 -4.543 525 HB2 MET 62 2HB MET 62 18.553 -2.017 -5.902 526 HB3 MET 62 1HB MET 62 19.499 -0.637 -6.460 527 HG2 MET 62 2HG MET 62 20.741 -0.568 -4.384 528 HG3 MET 62 1HG MET 62 19.701 -1.799 -3.668 529 HE1 MET 62 3HE MET 62 22.460 -2.042 -3.339 530 HE2 MET 62 1HE MET 62 23.152 -3.500 -4.066 531 HE3 MET 62 2HE MET 62 21.696 -3.608 -3.079 532 H LEU 63 H LEU 63 15.933 -1.327 -5.798 533 HA LEU 63 HA LEU 63 15.526 0.378 -8.144 534 HB2 LEU 63 2HB LEU 63 14.875 -2.085 -7.977 535 HB3 LEU 63 1HB LEU 63 13.563 -1.576 -6.922 536 HG LEU 63 HG LEU 63 12.941 0.075 -8.866 537 HD11 LEU 63 1HD1 LEU 63 14.876 -0.200 -10.294 538 HD12 LEU 63 2HD1 LEU 63 13.506 -0.934 -11.118 539 HD13 LEU 63 3HD1 LEU 63 14.688 -1.953 -10.303 540 HD21 LEU 63 3HD2 LEU 63 11.542 -1.828 -8.196 541 HD22 LEU 63 1HD2 LEU 63 12.553 -2.924 -9.139 542 HD23 LEU 63 2HD2 LEU 63 11.582 -1.697 -9.955 543 H LEU 64 H LEU 64 14.432 0.287 -4.850 544 HA LEU 64 HA LEU 64 12.148 2.051 -5.228 545 HB2 LEU 64 2HB LEU 64 12.143 0.586 -3.306 546 HB3 LEU 64 1HB LEU 64 13.716 1.180 -2.778 547 HG LEU 64 HG LEU 64 12.715 3.402 -2.331 548 HD11 LEU 64 1HD1 LEU 64 10.259 2.046 -3.467 549 HD12 LEU 64 2HD1 LEU 64 10.953 3.608 -3.899 550 HD13 LEU 64 3HD1 LEU 64 10.112 3.414 -2.364 551 HD21 LEU 64 3HD2 LEU 64 11.642 2.791 -0.323 552 HD22 LEU 64 1HD2 LEU 64 12.669 1.403 -0.665 553 HD23 LEU 64 2HD2 LEU 64 10.944 1.331 -1.023 554 H ASP 65 H ASP 65 15.548 2.430 -4.240 555 HA ASP 65 HA ASP 65 15.560 5.124 -3.478 556 HB2 ASP 65 2HB ASP 65 17.581 3.559 -5.105 557 HB3 ASP 65 1HB ASP 65 17.890 5.183 -4.488 558 H GLN 66 H GLN 66 15.161 3.720 -6.652 559 HA GLN 66 HA GLN 66 15.513 6.247 -8.081 560 HB2 GLN 66 2HB GLN 66 15.914 3.931 -9.063 561 HB3 GLN 66 1HB GLN 66 14.162 3.736 -9.099 562 HG2 GLN 66 2HG GLN 66 14.798 4.541 -11.268 563 HG3 GLN 66 1HG GLN 66 14.063 5.907 -10.426 564 HE21 GLN 66 1HE2 GLN 66 17.364 4.437 -10.651 565 HE22 GLN 66 2HE2 GLN 66 18.167 5.924 -10.821 566 H LYS 67 H LYS 67 12.717 4.219 -7.176 567 HA LYS 67 HA LYS 67 10.805 6.151 -8.245 568 HB2 LYS 67 2HB LYS 67 10.599 3.632 -6.591 569 HB3 LYS 67 1HB LYS 67 9.189 4.667 -6.795 570 HG2 LYS 67 2HG LYS 67 9.312 2.837 -8.495 571 HG3 LYS 67 1HG LYS 67 9.308 4.448 -9.214 572 HD2 LYS 67 2HD LYS 67 11.670 4.375 -9.615 573 HD3 LYS 67 1HD LYS 67 11.859 2.932 -8.620 574 HE2 LYS 67 2HE LYS 67 10.241 3.050 -11.182 575 HE3 LYS 67 1HE LYS 67 11.887 2.426 -11.067 576 HZ1 LYS 67 3HZ LYS 67 10.983 0.899 -9.291 577 HZ2 LYS 67 1HZ LYS 67 10.496 0.569 -10.882 578 HZ3 LYS 67 2HZ LYS 67 9.431 1.351 -9.813 579 H TYR 68 H TYR 68 11.670 5.145 -4.921 580 HA TYR 68 HA TYR 68 10.128 6.967 -3.464 581 HB2 TYR 68 2HB TYR 68 11.348 5.402 -2.175 582 HB3 TYR 68 1HB TYR 68 12.859 5.763 -2.998 583 HD1 TYR 68 2HD TYR 68 14.041 7.921 -2.554 584 HD2 TYR 68 1HD TYR 68 10.652 6.658 -0.238 585 HE1 TYR 68 2HE TYR 68 14.640 9.555 -0.792 586 HE2 TYR 68 1HE TYR 68 11.253 8.291 1.526 587 HH TYR 68 HH TYR 68 12.708 9.821 2.199 588 H ALA 69 H ALA 69 13.287 7.484 -4.989 589 HA ALA 69 HA ALA 69 13.835 10.095 -4.118 590 HB1 ALA 69 1HB ALA 69 15.493 8.962 -5.411 591 HB2 ALA 69 2HB ALA 69 14.967 10.309 -6.421 592 HB3 ALA 69 3HB ALA 69 14.369 8.679 -6.740 593 H GLU 70 H GLU 70 11.647 8.955 -6.641 594 HA GLU 70 HA GLU 70 10.859 11.723 -7.357 595 HB2 GLU 70 2HB GLU 70 10.194 8.979 -8.450 596 HB3 GLU 70 1HB GLU 70 9.380 10.442 -9.007 597 HG2 GLU 70 2HG GLU 70 11.472 11.401 -9.755 598 HG3 GLU 70 1HG GLU 70 12.388 10.080 -9.027 599 H TYR 71 H TYR 71 9.185 8.696 -6.410 600 HA TYR 71 HA TYR 71 6.753 10.114 -5.738 601 HB2 TYR 71 2HB TYR 71 7.616 7.269 -5.185 602 HB3 TYR 71 1HB TYR 71 5.984 7.894 -4.960 603 HD1 TYR 71 1HD TYR 71 4.627 8.629 -6.889 604 HD2 TYR 71 2HD TYR 71 8.500 6.849 -7.409 605 HE1 TYR 71 1HE TYR 71 4.132 8.252 -9.289 606 HE2 TYR 71 2HE TYR 71 8.005 6.472 -9.808 607 HH TYR 71 HH TYR 71 5.411 6.239 -11.135 608 H GLY 72 H GLY 72 9.339 8.623 -3.777 609 HA2 GLY 72 2HA GLY 72 10.009 9.387 -1.602 610 HA3 GLY 72 1HA GLY 72 8.561 10.394 -1.531 611 HA PRO 73 HA PRO 73 7.885 6.670 1.172 612 HB2 PRO 73 2HB PRO 73 6.339 8.654 2.778 613 HB3 PRO 73 1HB PRO 73 7.593 7.514 3.307 614 HG2 PRO 73 2HG PRO 73 8.081 10.148 3.124 615 HG3 PRO 73 1HG PRO 73 9.321 8.943 2.730 616 HD2 PRO 73 2HD PRO 73 7.613 10.566 0.850 617 HD3 PRO 73 1HD PRO 73 9.333 10.133 0.713 618 H LYS 74 H LYS 74 6.247 7.815 -1.193 619 HA LYS 74 HA LYS 74 3.465 7.411 -0.294 620 HB2 LYS 74 2HB LYS 74 4.785 7.953 -2.958 621 HB3 LYS 74 1HB LYS 74 3.064 7.593 -2.835 622 HG2 LYS 74 2HG LYS 74 2.730 9.506 -1.360 623 HG3 LYS 74 1HG LYS 74 4.463 9.832 -1.341 624 HD2 LYS 74 2HD LYS 74 4.425 10.263 -3.761 625 HD3 LYS 74 1HD LYS 74 2.699 9.905 -3.807 626 HE2 LYS 74 2HE LYS 74 3.080 12.338 -3.715 627 HE3 LYS 74 1HE LYS 74 2.271 11.776 -2.252 628 HZ1 LYS 74 3HZ LYS 74 3.983 12.404 -1.011 629 HZ2 LYS 74 1HZ LYS 74 4.591 13.218 -2.369 630 HZ3 LYS 74 2HZ LYS 74 5.110 11.637 -2.024 631 H TRP 75 H TRP 75 4.218 5.187 0.522 632 HA TRP 75 HA TRP 75 4.967 3.095 -1.204 633 HB2 TRP 75 2HB TRP 75 3.128 2.635 1.139 634 HB3 TRP 75 1HB TRP 75 4.470 1.643 0.580 635 HD1 TRP 75 HD TRP 75 3.675 3.837 3.283 636 HE1 TRP 75 1HE TRP 75 5.777 4.857 4.366 637 HE3 TRP 75 3HE TRP 75 7.124 2.888 -0.371 638 HZ2 TRP 75 2HZ TRP 75 8.539 5.235 3.769 639 HZ3 TRP 75 3HZ TRP 75 9.466 3.600 -0.087 640 HH2 TRP 75 HH TRP 75 10.187 4.772 1.972 641 H ASN 76 H ASN 76 2.203 4.901 -1.252 642 HA ASN 76 HA ASN 76 0.279 2.870 -2.004 643 HB2 ASN 76 2HB ASN 76 -0.974 4.930 -2.884 644 HB3 ASN 76 1HB ASN 76 -0.603 4.920 -1.160 645 HD21 ASN 76 1HD2 ASN 76 -0.222 6.724 -4.055 646 HD22 ASN 76 2HD2 ASN 76 0.916 7.842 -3.475 647 H LYS 77 H LYS 77 2.568 4.966 -3.686 648 HA LYS 77 HA LYS 77 1.667 4.058 -6.345 649 HB2 LYS 77 2HB LYS 77 3.890 5.868 -5.372 650 HB3 LYS 77 1HB LYS 77 3.718 5.425 -7.068 651 HG2 LYS 77 2HG LYS 77 1.341 6.560 -5.579 652 HG3 LYS 77 1HG LYS 77 2.589 7.648 -6.176 653 HD2 LYS 77 2HD LYS 77 2.291 6.672 -8.464 654 HD3 LYS 77 1HD LYS 77 0.952 5.709 -7.840 655 HE2 LYS 77 2HE LYS 77 0.163 7.803 -8.913 656 HE3 LYS 77 1HE LYS 77 -0.250 7.745 -7.199 657 HZ1 LYS 77 3HZ LYS 77 0.724 9.889 -7.987 658 HZ2 LYS 77 1HZ LYS 77 2.188 9.071 -8.240 659 HZ3 LYS 77 2HZ LYS 77 1.537 9.179 -6.675 660 H ILE 78 H ILE 78 4.305 3.513 -4.061 661 HA ILE 78 HA ILE 78 5.913 1.908 -5.828 662 HB ILE 78 HB ILE 78 5.825 1.646 -2.814 663 HG12 ILE 78 2HG1 ILE 78 5.896 4.013 -3.190 664 HG13 ILE 78 1HG1 ILE 78 7.541 3.510 -2.827 665 HG21 ILE 78 1HG2 ILE 78 7.268 0.125 -4.252 666 HG22 ILE 78 2HG2 ILE 78 8.142 1.058 -3.038 667 HG23 ILE 78 3HG2 ILE 78 8.172 1.563 -4.727 668 HD11 ILE 78 3HD1 ILE 78 7.756 4.948 -4.700 669 HD12 ILE 78 1HD1 ILE 78 6.353 4.245 -5.505 670 HD13 ILE 78 2HD1 ILE 78 7.852 3.324 -5.382 671 H SER 79 H SER 79 3.699 1.006 -3.171 672 HA SER 79 HA SER 79 3.798 -1.773 -3.415 673 HB2 SER 79 2HB SER 79 1.616 -1.840 -2.396 674 HB3 SER 79 1HB SER 79 2.468 -0.453 -1.724 675 HG SER 79 HG SER 79 0.992 -0.056 -4.052 676 H LYS 80 H LYS 80 2.410 0.475 -5.675 677 HA LYS 80 HA LYS 80 0.726 -1.495 -7.015 678 HB2 LYS 80 2HB LYS 80 1.710 1.265 -7.778 679 HB3 LYS 80 1HB LYS 80 0.709 0.287 -8.851 680 HG2 LYS 80 2HG LYS 80 -1.059 0.182 -7.172 681 HG3 LYS 80 1HG LYS 80 -0.053 1.059 -6.021 682 HD2 LYS 80 2HD LYS 80 0.034 2.964 -7.678 683 HD3 LYS 80 1HD LYS 80 -1.165 2.100 -8.639 684 HE2 LYS 80 2HE LYS 80 -1.557 2.874 -5.735 685 HE3 LYS 80 1HE LYS 80 -2.173 3.804 -7.100 686 HZ1 LYS 80 3HZ LYS 80 -2.802 0.995 -7.204 687 HZ2 LYS 80 1HZ LYS 80 -3.800 2.340 -7.464 688 HZ3 LYS 80 2HZ LYS 80 -3.496 1.804 -5.881 689 H PHE 81 H PHE 81 4.061 -0.661 -7.034 690 HA PHE 81 HA PHE 81 4.546 -1.861 -9.696 691 HB2 PHE 81 2HB PHE 81 6.203 -0.419 -7.626 692 HB3 PHE 81 1HB PHE 81 7.015 -1.388 -8.853 693 HD1 PHE 81 1HD PHE 81 6.439 -0.943 -11.322 694 HD2 PHE 81 2HD PHE 81 5.446 1.775 -8.149 695 HE1 PHE 81 1HE PHE 81 6.182 0.890 -12.972 696 HE2 PHE 81 2HE PHE 81 5.188 3.608 -9.798 697 HZ PHE 81 HZ PHE 81 5.556 3.165 -12.210 698 H LEU 82 H LEU 82 4.275 -2.779 -6.451 699 HA LEU 82 HA LEU 82 5.998 -5.204 -6.749 700 HB2 LEU 82 2HB LEU 82 4.624 -3.822 -4.441 701 HB3 LEU 82 1HB LEU 82 5.239 -5.462 -4.272 702 HG LEU 82 HG LEU 82 7.493 -4.786 -4.623 703 HD11 LEU 82 1HD1 LEU 82 7.323 -3.314 -6.518 704 HD12 LEU 82 2HD1 LEU 82 8.052 -2.380 -5.220 705 HD13 LEU 82 3HD1 LEU 82 6.352 -2.164 -5.607 706 HD21 LEU 82 3HD2 LEU 82 6.749 -4.174 -2.408 707 HD22 LEU 82 1HD2 LEU 82 6.048 -2.671 -3.001 708 HD23 LEU 82 2HD2 LEU 82 7.795 -2.889 -2.994 709 H LYS 83 H LYS 83 2.680 -4.416 -5.653 710 HA LYS 83 HA LYS 83 0.700 -5.628 -5.799 711 HB2 LYS 83 2HB LYS 83 1.981 -7.209 -8.042 712 HB3 LYS 83 1HB LYS 83 0.281 -6.796 -7.818 713 HG2 LYS 83 2HG LYS 83 1.001 -4.343 -8.038 714 HG3 LYS 83 1HG LYS 83 2.550 -4.959 -8.609 715 HD2 LYS 83 2HD LYS 83 1.454 -6.128 -10.446 716 HD3 LYS 83 1HD LYS 83 -0.132 -5.633 -9.847 717 HE2 LYS 83 2HE LYS 83 0.482 -3.268 -10.156 718 HE3 LYS 83 1HE LYS 83 2.068 -3.756 -10.754 719 HZ1 LYS 83 3HZ LYS 83 0.921 -3.526 -12.701 720 HZ2 LYS 83 1HZ LYS 83 -0.561 -4.010 -12.033 721 HZ3 LYS 83 2HZ LYS 83 0.629 -5.170 -12.386 722 H ASN 84 H ASN 84 3.463 -6.653 -4.680 723 HA ASN 84 HA ASN 84 2.499 -9.405 -4.022 724 HB2 ASN 84 2HB ASN 84 5.300 -8.342 -4.434 725 HB3 ASN 84 1HB ASN 84 4.971 -9.891 -3.656 726 HD21 ASN 84 1HD2 ASN 84 3.397 -8.317 -6.494 727 HD22 ASN 84 2HD2 ASN 84 3.689 -9.606 -7.559 728 H ARG 85 H ARG 85 3.408 -6.304 -2.879 729 HA ARG 85 HA ARG 85 3.219 -7.282 -0.034 730 HB2 ARG 85 2HB ARG 85 5.092 -5.184 -1.148 731 HB3 ARG 85 1HB ARG 85 4.824 -5.474 0.560 732 HG2 ARG 85 2HG ARG 85 6.638 -6.884 0.329 733 HG3 ARG 85 1HG ARG 85 5.423 -8.024 -0.213 734 HD2 ARG 85 2HD ARG 85 5.857 -7.005 -2.580 735 HD3 ARG 85 1HD ARG 85 7.352 -6.404 -1.868 736 HE ARG 85 HE ARG 85 7.200 -9.141 -1.213 737 HH11 ARG 85 1HH2 ARG 85 7.335 -7.101 -3.990 738 HH12 ARG 85 2HH2 ARG 85 8.165 -8.265 -4.968 739 HH21 ARG 85 1HH1 ARG 85 8.283 -10.671 -2.475 740 HH22 ARG 85 2HH1 ARG 85 8.702 -10.285 -4.111 741 H SER 86 H SER 86 3.045 -5.071 1.323 742 HA SER 86 HA SER 86 0.887 -3.417 0.075 743 HB2 SER 86 2HB SER 86 -0.051 -3.440 2.508 744 HB3 SER 86 1HB SER 86 -0.320 -4.860 1.502 745 HG SER 86 HG SER 86 0.768 -4.858 3.820 746 H ASP 87 H ASP 87 0.616 -1.384 1.187 747 HA ASP 87 HA ASP 87 3.055 0.017 1.554 748 HB2 ASP 87 2HB ASP 87 1.498 1.794 2.617 749 HB3 ASP 87 1HB ASP 87 1.158 1.329 0.948 750 H ASN 88 H ASN 88 0.928 -1.658 3.743 751 HA ASN 88 HA ASN 88 2.041 -0.650 6.197 752 HB2 ASN 88 2HB ASN 88 -0.153 -1.901 5.946 753 HB3 ASN 88 1HB ASN 88 0.794 -3.376 5.750 754 HD21 ASN 88 1HD2 ASN 88 0.481 -4.444 7.739 755 HD22 ASN 88 2HD2 ASN 88 0.799 -3.748 9.254 756 H ASN 89 H ASN 89 2.969 -3.197 3.937 757 HA ASN 89 HA ASN 89 4.974 -4.318 5.766 758 HB2 ASN 89 2HB ASN 89 3.606 -5.498 3.867 759 HB3 ASN 89 1HB ASN 89 4.798 -4.794 2.784 760 HD21 ASN 89 1HD2 ASN 89 5.694 -6.928 2.277 761 HD22 ASN 89 2HD2 ASN 89 6.635 -7.778 3.405 762 H ILE 90 H ILE 90 4.905 -2.449 2.750 763 HA ILE 90 HA ILE 90 7.692 -2.060 2.449 764 HB ILE 90 HB ILE 90 5.415 -0.211 1.700 765 HG12 ILE 90 2HG1 ILE 90 6.819 -2.304 0.020 766 HG13 ILE 90 1HG1 ILE 90 5.319 -2.622 0.874 767 HG21 ILE 90 1HG2 ILE 90 7.017 0.530 -0.090 768 HG22 ILE 90 2HG2 ILE 90 8.274 -0.416 0.709 769 HG23 ILE 90 3HG2 ILE 90 7.540 0.956 1.539 770 HD11 ILE 90 3HD1 ILE 90 4.419 -0.517 -0.375 771 HD12 ILE 90 1HD1 ILE 90 4.592 -2.027 -1.259 772 HD13 ILE 90 2HD1 ILE 90 5.804 -0.761 -1.439 773 H ARG 91 H ARG 91 5.318 0.236 3.811 774 HA ARG 91 HA ARG 91 7.109 2.153 4.814 775 HB2 ARG 91 2HB ARG 91 4.566 2.234 4.847 776 HB3 ARG 91 1HB ARG 91 4.623 1.192 6.259 777 HG2 ARG 91 2HG ARG 91 6.196 2.953 7.297 778 HG3 ARG 91 1HG ARG 91 5.685 4.010 5.982 779 HD2 ARG 91 2HD ARG 91 3.288 3.530 6.678 780 HD3 ARG 91 1HD ARG 91 3.950 2.755 8.119 781 HE ARG 91 HE ARG 91 4.398 4.901 8.982 782 HH11 ARG 91 1HH2 ARG 91 3.966 4.954 5.561 783 HH12 ARG 91 2HH2 ARG 91 4.038 6.681 5.446 784 HH21 ARG 91 1HH1 ARG 91 4.492 7.155 8.851 785 HH22 ARG 91 2HH1 ARG 91 4.335 7.927 7.308 786 H ASN 92 H ASN 92 6.223 -0.984 6.065 787 HA ASN 92 HA ASN 92 7.562 -0.627 8.636 788 HB2 ASN 92 2HB ASN 92 5.632 -2.137 8.400 789 HB3 ASN 92 1HB ASN 92 6.552 -3.138 7.276 790 HD21 ASN 92 1HD2 ASN 92 6.639 -1.912 10.657 791 HD22 ASN 92 2HD2 ASN 92 7.511 -3.233 11.272 792 H ARG 93 H ARG 93 8.355 -2.327 5.577 793 HA ARG 93 HA ARG 93 10.861 -3.341 6.674 794 HB2 ARG 93 2HB ARG 93 9.582 -3.310 3.947 795 HB3 ARG 93 1HB ARG 93 11.302 -3.665 4.067 796 HG2 ARG 93 2HG ARG 93 10.223 -5.778 4.129 797 HG3 ARG 93 1HG ARG 93 10.672 -5.454 5.797 798 HD2 ARG 93 2HD ARG 93 8.337 -4.540 6.149 799 HD3 ARG 93 1HD ARG 93 7.942 -5.124 4.533 800 HE ARG 93 HE ARG 93 7.839 -7.301 5.422 801 HH11 ARG 93 1HH2 ARG 93 9.600 -5.156 7.468 802 HH12 ARG 93 2HH2 ARG 93 9.780 -6.310 8.747 803 HH21 ARG 93 1HH1 ARG 93 8.064 -8.820 7.080 804 HH22 ARG 93 2HH1 ARG 93 8.911 -8.384 8.527 805 H TRP 94 H TRP 94 9.930 -0.599 4.638 806 HA TRP 94 HA TRP 94 12.601 0.309 4.119 807 HB2 TRP 94 2HB TRP 94 10.696 1.117 2.800 808 HB3 TRP 94 1HB TRP 94 9.996 1.864 4.236 809 HD1 TRP 94 HD TRP 94 10.770 4.232 4.836 810 HE1 TRP 94 1HE TRP 94 12.554 5.852 3.920 811 HE3 TRP 94 3HE TRP 94 13.225 1.115 1.623 812 HZ2 TRP 94 2HZ TRP 94 14.734 5.829 2.069 813 HZ3 TRP 94 3HZ TRP 94 15.151 1.939 0.298 814 HH2 TRP 94 HH TRP 94 15.907 4.289 0.516 815 H MET 95 H MET 95 10.241 1.137 6.666 816 HA MET 95 HA MET 95 11.927 3.093 7.933 817 HB2 MET 95 2HB MET 95 9.423 2.807 8.267 818 HB3 MET 95 1HB MET 95 9.797 1.418 9.287 819 HG2 MET 95 2HG MET 95 9.570 3.304 10.755 820 HG3 MET 95 1HG MET 95 11.295 2.963 10.643 821 HE1 MET 95 3HE MET 95 11.434 5.192 11.762 822 HE2 MET 95 1HE MET 95 9.840 5.916 11.508 823 HE3 MET 95 2HE MET 95 11.291 6.763 10.980 824 H MET 96 H MET 96 11.695 -0.409 8.179 825 HA MET 96 HA MET 96 13.357 -0.550 10.587 826 HB2 MET 96 2HB MET 96 11.652 -2.291 10.029 827 HB3 MET 96 1HB MET 96 12.612 -2.735 8.617 828 HG2 MET 96 2HG MET 96 14.474 -3.396 10.003 829 HG3 MET 96 1HG MET 96 13.693 -2.753 11.447 830 HE1 MET 96 3HE MET 96 14.643 -6.068 10.126 831 HE2 MET 96 1HE MET 96 13.908 -6.700 11.606 832 HE3 MET 96 2HE MET 96 14.876 -5.228 11.658 833 H ILE 97 H ILE 97 13.773 -0.892 7.092 834 HA ILE 97 HA ILE 97 16.604 -1.611 7.367 835 HB ILE 97 HB ILE 97 14.919 -0.947 4.935 836 HG12 ILE 97 2HG1 ILE 97 15.988 -3.628 5.872 837 HG13 ILE 97 1HG1 ILE 97 14.374 -3.046 6.283 838 HG21 ILE 97 1HG2 ILE 97 16.854 -2.091 3.733 839 HG22 ILE 97 2HG2 ILE 97 17.770 -1.931 5.231 840 HG23 ILE 97 3HG2 ILE 97 17.212 -0.491 4.381 841 HD11 ILE 97 3HD1 ILE 97 13.716 -2.976 3.979 842 HD12 ILE 97 1HD1 ILE 97 14.491 -4.539 4.231 843 HD13 ILE 97 2HD1 ILE 97 15.372 -3.238 3.431 844 H ALA 98 H ALA 98 14.669 1.252 6.788 845 HA ALA 98 HA ALA 98 16.889 2.887 5.870 846 HB1 ALA 98 1HB ALA 98 14.566 3.479 5.300 847 HB2 ALA 98 2HB ALA 98 15.330 4.780 6.212 848 HB3 ALA 98 3HB ALA 98 14.195 3.693 7.012 849 H ARG 99 H ARG 99 15.810 1.756 8.919 850 HA ARG 99 HA ARG 99 16.805 3.945 10.517 851 HB2 ARG 99 2HB ARG 99 15.107 2.247 11.295 852 HB3 ARG 99 1HB ARG 99 16.397 1.049 11.325 853 HG2 ARG 99 2HG ARG 99 16.107 1.940 13.568 854 HG3 ARG 99 1HG ARG 99 17.654 2.488 12.933 855 HD2 ARG 99 2HD ARG 99 15.289 4.279 12.476 856 HD3 ARG 99 1HD ARG 99 15.940 4.192 14.111 857 HE ARG 99 HE ARG 99 17.216 5.484 11.857 858 HH11 ARG 99 1HH2 ARG 99 17.700 3.685 14.760 859 HH12 ARG 99 2HH2 ARG 99 19.273 4.344 15.062 860 HH21 ARG 99 1HH1 ARG 99 19.267 6.352 12.237 861 HH22 ARG 99 2HH1 ARG 99 20.161 5.853 13.633 862 H HIS 100 H HIS 100 18.194 1.246 8.891 863 HA HIS 100 HA HIS 100 20.664 1.258 10.492 864 HB2 HIS 100 2HB HIS 100 19.702 -0.840 9.466 865 HB3 HIS 100 1HB HIS 100 20.101 -0.176 7.882 866 HD1 HIS 100 1HD HIS 100 22.754 1.131 9.626 867 HD2 HIS 100 2HD HIS 100 21.812 -2.811 8.638 868 HE1 HIS 100 1HE HIS 100 24.923 -0.176 9.741 869 HE2 HIS 100 2HE HIS 100 24.361 -2.575 9.141 870 H ARG 101 H ARG 101 19.507 2.318 7.319 871 HA ARG 101 HA ARG 101 22.150 3.338 6.538 872 HB2 ARG 101 2HB ARG 101 19.429 3.707 5.248 873 HB3 ARG 101 1HB ARG 101 20.980 4.132 4.522 874 HG2 ARG 101 2HG ARG 101 21.679 1.828 4.474 875 HG3 ARG 101 1HG ARG 101 20.289 1.331 5.442 876 HD2 ARG 101 2HD ARG 101 19.969 0.844 3.022 877 HD3 ARG 101 1HD ARG 101 18.764 1.974 3.639 878 HE ARG 101 HE ARG 101 21.029 3.397 2.558 879 HH11 ARG 101 1HH2 ARG 101 18.209 1.579 1.761 880 HH12 ARG 101 2HH2 ARG 101 17.972 2.364 0.237 881 HH21 ARG 101 1HH1 ARG 101 20.734 4.433 0.572 882 HH22 ARG 101 2HH1 ARG 101 19.401 3.981 -0.436 883 H ALA 102 H ALA 102 19.414 4.464 8.286 884 HA ALA 102 HA ALA 102 19.689 7.284 7.707 885 HB1 ALA 102 1HB ALA 102 17.604 6.528 8.631 886 HB2 ALA 102 2HB ALA 102 18.366 7.530 9.866 887 HB3 ALA 102 3HB ALA 102 18.416 5.772 10.002 888 H LYS 103 H LYS 103 21.579 5.094 9.511 889 HA LYS 103 HA LYS 103 22.538 6.951 11.526 890 HB2 LYS 103 2HB LYS 103 23.538 4.300 10.461 891 HB3 LYS 103 1HB LYS 103 24.393 5.193 11.719 892 HG2 LYS 103 2HG LYS 103 22.319 5.179 13.098 893 HG3 LYS 103 1HG LYS 103 21.529 4.207 11.857 894 HD2 LYS 103 2HD LYS 103 23.069 2.386 12.189 895 HD3 LYS 103 1HD LYS 103 24.090 3.372 13.238 896 HE2 LYS 103 2HE LYS 103 21.213 2.640 13.850 897 HE3 LYS 103 1HE LYS 103 22.617 1.804 14.513 898 HZ1 LYS 103 3HZ LYS 103 23.119 4.450 14.967 899 HZ2 LYS 103 1HZ LYS 103 22.580 3.323 16.114 900 HZ3 LYS 103 2HZ LYS 103 21.458 4.295 15.288 901 H HIS 104 H HIS 104 24.650 5.347 9.167 902 HA HIS 104 HA HIS 104 25.433 7.839 7.881 903 HB2 HIS 104 2HB HIS 104 27.716 7.922 8.731 904 HB3 HIS 104 1HB HIS 104 26.593 8.013 10.086 905 HD1 HIS 104 1HD HIS 104 29.462 6.993 10.556 906 HD2 HIS 104 2HD HIS 104 26.242 4.478 9.712 907 HE1 HIS 104 1HE HIS 104 30.087 4.703 11.441 908 HE2 HIS 104 2HE HIS 104 28.135 3.166 10.932 909 H GLN 105 H GLN 105 25.130 4.548 7.987 910 HA GLN 105 HA GLN 105 27.300 3.510 6.523 911 HB2 GLN 105 2HB GLN 105 25.354 2.209 7.496 912 HB3 GLN 105 1HB GLN 105 24.404 2.725 6.102 913 HG2 GLN 105 2HG GLN 105 25.975 1.652 4.579 914 HG3 GLN 105 1HG GLN 105 27.033 1.225 5.923 915 HE21 GLN 105 1HE2 GLN 105 23.679 1.025 6.705 916 HE22 GLN 105 2HE2 GLN 105 23.522 -0.659 6.567 917 H LYS 106 H LYS 106 24.903 5.771 5.539 918 HA LYS 106 HA LYS 106 24.684 5.291 2.770 919 HB2 LYS 106 2HB LYS 106 23.441 7.060 4.035 920 HB3 LYS 106 1HB LYS 106 24.927 8.006 4.102 921 HG2 LYS 106 2HG LYS 106 25.001 8.210 1.704 922 HG3 LYS 106 1HG LYS 106 23.692 7.044 1.510 923 HD2 LYS 106 2HD LYS 106 22.145 8.579 2.663 924 HD3 LYS 106 1HD LYS 106 23.451 9.747 2.864 925 HE2 LYS 106 2HE LYS 106 22.010 10.276 0.903 926 HE3 LYS 106 1HE LYS 106 23.682 9.957 0.438 927 HZ1 LYS 106 3HZ LYS 106 23.095 7.739 -0.192 928 HZ2 LYS 106 1HZ LYS 106 22.039 8.812 -0.973 929 HZ3 LYS 106 2HZ LYS 106 21.508 7.936 0.381 930 H SER 107 H SER 107 27.454 6.147 4.596 931 HA SER 107 HA SER 107 28.975 7.661 2.764 932 HB2 SER 107 2HB SER 107 30.945 6.780 3.908 933 HB3 SER 107 1HB SER 107 29.682 7.105 5.093 934 HG SER 107 HG SER 107 30.118 4.581 3.867 Start of MODEL 3 1 H1 LYS 1 1HT LYS 1 -2.335 11.256 1.125 2 H2 LYS 1 2HT LYS 1 -0.782 10.936 0.513 3 H3 LYS 1 3HT LYS 1 -1.113 10.704 2.163 4 HA LYS 1 HA LYS 1 -1.125 8.743 0.352 5 HB2 LYS 1 2HB LYS 1 -2.373 7.459 2.044 6 HB3 LYS 1 1HB LYS 1 -1.187 8.511 2.815 7 HG2 LYS 1 2HG LYS 1 -3.040 10.223 3.093 8 HG3 LYS 1 1HG LYS 1 -4.169 8.973 2.571 9 HD2 LYS 1 2HD LYS 1 -3.489 7.535 4.427 10 HD3 LYS 1 1HD LYS 1 -2.275 8.713 4.925 11 HE2 LYS 1 2HE LYS 1 -4.007 10.359 5.406 12 HE3 LYS 1 1HE LYS 1 -5.253 9.268 4.798 13 HZ1 LYS 1 2HZ LYS 1 -5.007 9.276 7.254 14 HZ2 LYS 1 3HZ LYS 1 -3.453 8.616 7.063 15 HZ3 LYS 1 1HZ LYS 1 -4.813 7.743 6.549 16 H VAL 2 H VAL 2 -3.707 7.421 0.800 17 HA VAL 2 HA VAL 2 -5.093 8.454 -1.544 18 HB VAL 2 HB VAL 2 -6.000 6.324 0.418 19 HG11 VAL 2 1HG1 VAL 2 -7.841 6.903 -0.973 20 HG12 VAL 2 2HG1 VAL 2 -7.135 5.487 -1.746 21 HG13 VAL 2 3HG1 VAL 2 -6.817 7.093 -2.396 22 HG21 VAL 2 3HG2 VAL 2 -3.748 5.841 -0.481 23 HG22 VAL 2 1HG2 VAL 2 -4.351 6.082 -2.121 24 HG23 VAL 2 2HG2 VAL 2 -4.945 4.733 -1.153 25 H LYS 3 H LYS 3 -7.529 8.869 -1.404 26 HA LYS 3 HA LYS 3 -8.060 11.105 0.221 27 HB2 LYS 3 2HB LYS 3 -9.978 9.138 -1.054 28 HB3 LYS 3 1HB LYS 3 -10.474 10.670 -0.334 29 HG2 LYS 3 2HG LYS 3 -9.063 11.908 -1.895 30 HG3 LYS 3 1HG LYS 3 -8.443 10.401 -2.569 31 HD2 LYS 3 2HD LYS 3 -10.825 9.802 -3.180 32 HD3 LYS 3 1HD LYS 3 -11.281 11.443 -2.718 33 HE2 LYS 3 2HE LYS 3 -10.900 11.437 -5.103 34 HE3 LYS 3 1HE LYS 3 -9.557 12.295 -4.350 35 HZ1 LYS 3 3HZ LYS 3 -8.740 9.711 -4.338 36 HZ2 LYS 3 1HZ LYS 3 -8.272 10.884 -5.470 37 HZ3 LYS 3 2HZ LYS 3 -9.558 9.832 -5.821 38 H PHE 4 H PHE 4 -9.143 7.720 0.756 39 HA PHE 4 HA PHE 4 -10.214 8.431 3.389 40 HB2 PHE 4 2HB PHE 4 -10.527 5.943 3.613 41 HB3 PHE 4 1HB PHE 4 -11.376 6.674 2.267 42 HD1 PHE 4 1HD PHE 4 -8.552 4.520 3.265 43 HD2 PHE 4 2HD PHE 4 -10.691 6.267 -0.025 44 HE1 PHE 4 1HE PHE 4 -7.412 2.969 1.697 45 HE2 PHE 4 2HE PHE 4 -9.549 4.721 -1.588 46 HZ PHE 4 HZ PHE 4 -7.911 3.084 -0.737 47 H THR 5 H THR 5 -9.468 7.358 5.379 48 HA THR 5 HA THR 5 -6.503 7.378 5.512 49 HB THR 5 HB THR 5 -7.560 8.704 7.203 50 HG1 THR 5 1HG THR 5 -6.898 6.229 8.400 51 HG21 THR 5 3HG2 THR 5 -9.155 7.591 8.822 52 HG22 THR 5 1HG2 THR 5 -9.225 6.233 7.702 53 HG23 THR 5 2HG2 THR 5 -9.787 7.824 7.192 54 H GLU 6 H GLU 6 -5.439 5.721 6.774 55 HA GLU 6 HA GLU 6 -5.795 3.120 5.836 56 HB2 GLU 6 2HB GLU 6 -4.437 2.377 7.770 57 HB3 GLU 6 1HB GLU 6 -3.773 3.835 7.035 58 HG2 GLU 6 2HG GLU 6 -5.071 5.169 8.766 59 HG3 GLU 6 1HG GLU 6 -5.416 3.637 9.570 60 H GLU 7 H GLU 7 -7.267 4.605 8.714 61 HA GLU 7 HA GLU 7 -8.411 2.363 9.933 62 HB2 GLU 7 2HB GLU 7 -9.919 4.960 9.556 63 HB3 GLU 7 1HB GLU 7 -10.049 3.820 10.891 64 HG2 GLU 7 2HG GLU 7 -7.633 5.526 10.220 65 HG3 GLU 7 1HG GLU 7 -8.712 5.735 11.596 66 H GLU 8 H GLU 8 -9.576 4.118 7.058 67 HA GLU 8 HA GLU 8 -11.994 2.552 6.834 68 HB2 GLU 8 2HB GLU 8 -10.505 3.949 4.617 69 HB3 GLU 8 1HB GLU 8 -12.203 3.484 4.617 70 HG2 GLU 8 2HG GLU 8 -12.232 5.005 6.851 71 HG3 GLU 8 1HG GLU 8 -10.865 5.771 6.044 72 H ASP 9 H ASP 9 -8.745 2.371 5.415 73 HA ASP 9 HA ASP 9 -9.011 0.239 3.631 74 HB2 ASP 9 2HB ASP 9 -6.884 1.526 4.286 75 HB3 ASP 9 1HB ASP 9 -6.727 0.381 5.618 76 H LEU 10 H LEU 10 -9.173 0.180 7.118 77 HA LEU 10 HA LEU 10 -9.029 -2.734 7.339 78 HB2 LEU 10 2HB LEU 10 -10.333 -1.004 9.449 79 HB3 LEU 10 1HB LEU 10 -9.287 -2.409 9.652 80 HG LEU 10 HG LEU 10 -8.429 0.341 8.734 81 HD11 LEU 10 1HD1 LEU 10 -7.772 -1.195 11.248 82 HD12 LEU 10 2HD1 LEU 10 -8.935 0.128 11.148 83 HD13 LEU 10 3HD1 LEU 10 -7.224 0.431 10.840 84 HD21 LEU 10 3HD2 LEU 10 -6.910 -2.255 9.036 85 HD22 LEU 10 1HD2 LEU 10 -6.112 -0.684 8.965 86 HD23 LEU 10 2HD2 LEU 10 -7.050 -1.259 7.589 87 H LYS 11 H LYS 11 -11.512 -0.220 7.194 88 HA LYS 11 HA LYS 11 -13.788 -1.920 7.568 89 HB2 LYS 11 2HB LYS 11 -13.598 0.560 5.823 90 HB3 LYS 11 1HB LYS 11 -15.071 -0.133 6.492 91 HG2 LYS 11 2HG LYS 11 -12.789 0.816 8.247 92 HG3 LYS 11 1HG LYS 11 -14.091 1.886 7.737 93 HD2 LYS 11 2HD LYS 11 -15.714 0.166 8.713 94 HD3 LYS 11 1HD LYS 11 -14.308 -0.611 9.438 95 HE2 LYS 11 2HE LYS 11 -15.382 2.161 9.962 96 HE3 LYS 11 1HE LYS 11 -15.113 0.857 11.119 97 HZ1 LYS 11 3HZ LYS 11 -13.344 2.386 11.360 98 HZ2 LYS 11 1HZ LYS 11 -13.067 2.455 9.688 99 HZ3 LYS 11 2HZ LYS 11 -12.703 1.037 10.551 100 H LEU 12 H LEU 12 -11.839 -1.068 4.736 101 HA LEU 12 HA LEU 12 -13.428 -2.253 2.729 102 HB2 LEU 12 2HB LEU 12 -10.493 -1.732 3.067 103 HB3 LEU 12 1HB LEU 12 -10.979 -2.785 1.746 104 HG LEU 12 HG LEU 12 -12.494 -1.013 0.911 105 HD11 LEU 12 1HD1 LEU 12 -12.950 0.111 3.054 106 HD12 LEU 12 2HD1 LEU 12 -12.313 1.258 1.880 107 HD13 LEU 12 3HD1 LEU 12 -11.270 0.626 3.146 108 HD21 LEU 12 3HD2 LEU 12 -10.600 0.643 0.335 109 HD22 LEU 12 1HD2 LEU 12 -10.342 -1.046 -0.097 110 HD23 LEU 12 2HD2 LEU 12 -9.563 -0.372 1.336 111 H GLN 13 H GLN 13 -10.892 -3.731 4.791 112 HA GLN 13 HA GLN 13 -11.003 -6.335 3.721 113 HB2 GLN 13 2HB GLN 13 -9.426 -5.586 5.507 114 HB3 GLN 13 1HB GLN 13 -10.757 -5.606 6.661 115 HG2 GLN 13 2HG GLN 13 -10.080 -8.075 5.041 116 HG3 GLN 13 1HG GLN 13 -9.213 -7.707 6.530 117 HE21 GLN 13 1HE2 GLN 13 -11.857 -9.408 5.383 118 HE22 GLN 13 2HE2 GLN 13 -12.777 -9.470 6.808 119 H GLN 14 H GLN 14 -13.215 -4.769 6.024 120 HA GLN 14 HA GLN 14 -14.779 -7.231 6.405 121 HB2 GLN 14 2HB GLN 14 -15.525 -4.392 7.099 122 HB3 GLN 14 1HB GLN 14 -16.252 -5.867 7.735 123 HG2 GLN 14 2HG GLN 14 -14.035 -6.504 8.692 124 HG3 GLN 14 1HG GLN 14 -13.385 -4.960 8.139 125 HE21 GLN 14 1HE2 GLN 14 -13.100 -4.990 10.733 126 HE22 GLN 14 2HE2 GLN 14 -14.353 -4.225 11.584 127 H LEU 15 H LEU 15 -15.567 -4.055 4.907 128 HA LEU 15 HA LEU 15 -18.078 -4.901 3.866 129 HB2 LEU 15 2HB LEU 15 -16.141 -2.696 3.163 130 HB3 LEU 15 1HB LEU 15 -17.534 -2.980 2.122 131 HG LEU 15 HG LEU 15 -19.052 -2.679 4.020 132 HD11 LEU 15 1HD1 LEU 15 -17.736 -3.543 5.843 133 HD12 LEU 15 2HD1 LEU 15 -18.059 -1.846 6.196 134 HD13 LEU 15 3HD1 LEU 15 -16.481 -2.332 5.581 135 HD21 LEU 15 3HD2 LEU 15 -16.972 -0.478 3.814 136 HD22 LEU 15 1HD2 LEU 15 -18.601 -0.280 4.458 137 HD23 LEU 15 2HD2 LEU 15 -18.369 -0.681 2.756 138 H VAL 16 H VAL 16 -14.907 -4.681 2.257 139 HA VAL 16 HA VAL 16 -15.705 -5.818 -0.207 140 HB VAL 16 HB VAL 16 -13.004 -6.195 1.118 141 HG11 VAL 16 1HG1 VAL 16 -13.739 -5.929 -1.803 142 HG12 VAL 16 2HG1 VAL 16 -13.552 -7.485 -0.996 143 HG13 VAL 16 3HG1 VAL 16 -12.180 -6.393 -1.136 144 HG21 VAL 16 3HG2 VAL 16 -13.916 -3.760 1.013 145 HG22 VAL 16 1HG2 VAL 16 -13.773 -3.920 -0.728 146 HG23 VAL 16 2HG2 VAL 16 -12.344 -4.057 0.288 147 H MET 17 H MET 17 -14.853 -7.346 2.898 148 HA MET 17 HA MET 17 -14.694 -10.010 1.829 149 HB2 MET 17 2HB MET 17 -13.804 -9.667 4.016 150 HB3 MET 17 1HB MET 17 -15.288 -8.915 4.589 151 HG2 MET 17 2HG MET 17 -16.456 -10.988 4.582 152 HG3 MET 17 1HG MET 17 -15.195 -11.779 3.637 153 HE1 MET 17 3HE MET 17 -16.091 -13.351 5.687 154 HE2 MET 17 1HE MET 17 -14.844 -13.709 6.889 155 HE3 MET 17 2HE MET 17 -14.468 -13.801 5.170 156 H ARG 18 H ARG 18 -17.342 -7.896 2.777 157 HA ARG 18 HA ARG 18 -19.360 -10.012 2.671 158 HB2 ARG 18 2HB ARG 18 -19.633 -7.943 4.044 159 HB3 ARG 18 1HB ARG 18 -19.717 -7.002 2.554 160 HG2 ARG 18 2HG ARG 18 -21.709 -8.196 1.847 161 HG3 ARG 18 1HG ARG 18 -21.587 -9.292 3.224 162 HD2 ARG 18 2HD ARG 18 -22.036 -6.296 3.386 163 HD3 ARG 18 1HD ARG 18 -23.261 -7.536 3.656 164 HE ARG 18 HE ARG 18 -21.004 -7.967 5.392 165 HH11 ARG 18 1HH2 ARG 18 -23.764 -5.980 4.826 166 HH12 ARG 18 2HH2 ARG 18 -23.980 -5.575 6.497 167 HH21 ARG 18 1HH1 ARG 18 -21.270 -7.450 7.575 168 HH22 ARG 18 2HH1 ARG 18 -22.568 -6.407 8.053 169 H TYR 19 H TYR 19 -17.884 -7.781 0.402 170 HA TYR 19 HA TYR 19 -19.918 -8.419 -1.688 171 HB2 TYR 19 2HB TYR 19 -17.580 -6.484 -1.681 172 HB3 TYR 19 1HB TYR 19 -18.736 -6.681 -2.997 173 HD1 TYR 19 1HD TYR 19 -21.290 -6.569 -2.262 174 HD2 TYR 19 2HD TYR 19 -18.039 -4.808 -0.075 175 HE1 TYR 19 1HE TYR 19 -22.878 -5.055 -1.116 176 HE2 TYR 19 2HE TYR 19 -19.629 -3.296 1.070 177 HH TYR 19 HH TYR 19 -22.540 -2.579 0.049 178 H GLY 20 H GLY 20 -16.929 -9.516 -0.561 179 HA2 GLY 20 2HA GLY 20 -15.790 -11.435 -1.442 180 HA3 GLY 20 1HA GLY 20 -16.535 -11.138 -3.015 181 H ALA 21 H ALA 21 -15.833 -9.038 -4.064 182 HA ALA 21 HA ALA 21 -13.732 -7.384 -3.625 183 HB1 ALA 21 1HB ALA 21 -12.676 -10.145 -4.185 184 HB2 ALA 21 2HB ALA 21 -12.049 -8.923 -3.080 185 HB3 ALA 21 3HB ALA 21 -11.775 -8.762 -4.807 186 H LYS 22 H LYS 22 -16.007 -7.630 -5.342 187 HA LYS 22 HA LYS 22 -14.717 -6.903 -7.919 188 HB2 LYS 22 2HB LYS 22 -16.807 -9.078 -7.669 189 HB3 LYS 22 1HB LYS 22 -16.276 -8.370 -9.193 190 HG2 LYS 22 2HG LYS 22 -13.897 -9.040 -8.509 191 HG3 LYS 22 1HG LYS 22 -14.644 -10.005 -7.236 192 HD2 LYS 22 2HD LYS 22 -15.262 -10.270 -10.196 193 HD3 LYS 22 1HD LYS 22 -14.182 -11.334 -9.296 194 HE2 LYS 22 2HE LYS 22 -16.184 -11.741 -7.716 195 HE3 LYS 22 1HE LYS 22 -17.169 -11.008 -8.983 196 HZ1 LYS 22 3HZ LYS 22 -15.890 -13.589 -8.907 197 HZ2 LYS 22 1HZ LYS 22 -15.656 -12.751 -10.363 198 HZ3 LYS 22 2HZ LYS 22 -17.231 -13.065 -9.808 199 H ASP 23 H ASP 23 -17.271 -6.470 -5.661 200 HA ASP 23 HA ASP 23 -18.914 -4.924 -7.622 201 HB2 ASP 23 2HB ASP 23 -19.611 -5.349 -4.710 202 HB3 ASP 23 1HB ASP 23 -20.689 -5.047 -6.071 203 H TRP 24 H TRP 24 -16.463 -3.850 -7.141 204 HA TRP 24 HA TRP 24 -16.312 -2.028 -4.941 205 HB2 TRP 24 2HB TRP 24 -15.036 -1.845 -7.683 206 HB3 TRP 24 1HB TRP 24 -14.529 -0.940 -6.251 207 HD1 TRP 24 HD TRP 24 -14.338 -4.351 -7.872 208 HE1 TRP 24 1HE TRP 24 -12.834 -5.881 -6.439 209 HE3 TRP 24 3HE TRP 24 -13.771 -1.395 -3.782 210 HZ2 TRP 24 2HZ TRP 24 -11.555 -5.836 -3.865 211 HZ3 TRP 24 3HZ TRP 24 -12.412 -2.141 -1.862 212 HH2 TRP 24 HH TRP 24 -11.308 -4.347 -1.885 213 H ILE 25 H ILE 25 -18.281 -2.002 -7.713 214 HA ILE 25 HA ILE 25 -18.509 0.874 -8.020 215 HB ILE 25 HB ILE 25 -20.700 0.189 -9.211 216 HG12 ILE 25 2HG1 ILE 25 -19.487 -2.576 -8.930 217 HG13 ILE 25 1HG1 ILE 25 -20.835 -2.011 -7.945 218 HG21 ILE 25 1HG2 ILE 25 -19.473 -0.681 -11.164 219 HG22 ILE 25 2HG2 ILE 25 -18.081 -1.029 -10.140 220 HG23 ILE 25 3HG2 ILE 25 -18.585 0.640 -10.405 221 HD11 ILE 25 3HD1 ILE 25 -21.699 -3.245 -9.866 222 HD12 ILE 25 1HD1 ILE 25 -20.786 -2.215 -10.968 223 HD13 ILE 25 2HD1 ILE 25 -22.117 -1.540 -10.029 224 H ARG 26 H ARG 26 -20.076 -1.616 -6.109 225 HA ARG 26 HA ARG 26 -22.161 0.156 -5.124 226 HB2 ARG 26 2HB ARG 26 -22.619 -2.224 -5.232 227 HB3 ARG 26 1HB ARG 26 -21.196 -2.584 -4.262 228 HG2 ARG 26 2HG ARG 26 -23.363 -2.685 -2.981 229 HG3 ARG 26 1HG ARG 26 -22.187 -1.564 -2.302 230 HD2 ARG 26 2HD ARG 26 -24.644 -0.749 -2.557 231 HD3 ARG 26 1HD ARG 26 -23.358 0.331 -3.096 232 HE ARG 26 HE ARG 26 -24.316 -1.407 -5.227 233 HH11 ARG 26 1HH2 ARG 26 -24.834 1.479 -3.414 234 HH12 ARG 26 2HH2 ARG 26 -25.716 2.272 -4.677 235 HH21 ARG 26 1HH1 ARG 26 -25.465 -0.388 -6.886 236 HH22 ARG 26 2HH1 ARG 26 -26.073 1.214 -6.641 237 H ILE 27 H ILE 27 -19.214 -1.324 -3.779 238 HA ILE 27 HA ILE 27 -19.314 -0.108 -1.247 239 HB ILE 27 HB ILE 27 -16.844 -0.684 -2.903 240 HG12 ILE 27 2HG1 ILE 27 -18.256 -2.432 -0.868 241 HG13 ILE 27 1HG1 ILE 27 -18.458 -2.609 -2.609 242 HG21 ILE 27 1HG2 ILE 27 -16.302 0.694 -0.993 243 HG22 ILE 27 2HG2 ILE 27 -15.822 -0.957 -0.605 244 HG23 ILE 27 3HG2 ILE 27 -17.311 -0.289 0.066 245 HD11 ILE 27 3HD1 ILE 27 -15.929 -2.984 -0.994 246 HD12 ILE 27 1HD1 ILE 27 -15.920 -2.847 -2.751 247 HD13 ILE 27 2HD1 ILE 27 -16.770 -4.182 -1.977 248 H SER 28 H SER 28 -18.273 1.149 -4.358 249 HA SER 28 HA SER 28 -17.110 3.580 -3.255 250 HB2 SER 28 2HB SER 28 -18.021 2.852 -6.046 251 HB3 SER 28 1HB SER 28 -17.226 4.369 -5.640 252 HG SER 28 HG SER 28 -15.410 3.268 -5.086 253 H GLN 29 H GLN 29 -20.313 2.582 -4.310 254 HA GLN 29 HA GLN 29 -21.444 5.219 -4.525 255 HB2 GLN 29 2HB GLN 29 -22.631 2.492 -3.976 256 HB3 GLN 29 1HB GLN 29 -23.642 3.933 -3.976 257 HG2 GLN 29 2HG GLN 29 -21.798 3.338 -6.301 258 HG3 GLN 29 1HG GLN 29 -23.399 2.608 -6.208 259 HE21 GLN 29 1HE2 GLN 29 -23.495 4.092 -8.311 260 HE22 GLN 29 2HE2 GLN 29 -24.082 5.666 -8.063 261 H LEU 30 H LEU 30 -20.962 3.028 -1.784 262 HA LEU 30 HA LEU 30 -22.460 4.592 0.114 263 HB2 LEU 30 2HB LEU 30 -20.035 2.913 0.806 264 HB3 LEU 30 1HB LEU 30 -21.463 3.230 1.792 265 HG LEU 30 HG LEU 30 -21.359 1.577 -0.747 266 HD11 LEU 30 1HD1 LEU 30 -21.827 0.877 2.165 267 HD12 LEU 30 2HD1 LEU 30 -20.444 0.406 1.177 268 HD13 LEU 30 3HD1 LEU 30 -22.043 -0.248 0.823 269 HD21 LEU 30 3HD2 LEU 30 -23.783 1.068 -0.044 270 HD22 LEU 30 1HD2 LEU 30 -23.489 2.657 -0.747 271 HD23 LEU 30 2HD2 LEU 30 -23.664 2.485 0.999 272 H MET 31 H MET 31 -19.000 4.468 -0.726 273 HA MET 31 HA MET 31 -18.625 7.145 0.610 274 HB2 MET 31 2HB MET 31 -16.638 4.901 0.131 275 HB3 MET 31 1HB MET 31 -16.237 6.477 0.815 276 HG2 MET 31 2HG MET 31 -17.798 6.073 2.679 277 HG3 MET 31 1HG MET 31 -18.210 4.500 1.997 278 HE1 MET 31 3HE MET 31 -17.689 4.249 4.618 279 HE2 MET 31 1HE MET 31 -16.246 3.297 4.990 280 HE3 MET 31 2HE MET 31 -17.388 2.735 3.770 281 H ILE 32 H ILE 32 -19.577 7.642 -1.739 282 HA ILE 32 HA ILE 32 -18.109 7.344 -4.101 283 HB ILE 32 HB ILE 32 -19.085 9.601 -4.739 284 HG12 ILE 32 2HG1 ILE 32 -20.230 9.419 -1.932 285 HG13 ILE 32 1HG1 ILE 32 -18.963 10.543 -2.424 286 HG21 ILE 32 1HG2 ILE 32 -20.304 7.432 -5.005 287 HG22 ILE 32 2HG2 ILE 32 -21.386 8.792 -4.703 288 HG23 ILE 32 3HG2 ILE 32 -21.001 7.665 -3.401 289 HD11 ILE 32 3HD1 ILE 32 -21.050 11.732 -2.539 290 HD12 ILE 32 1HD1 ILE 32 -21.807 10.426 -3.450 291 HD13 ILE 32 2HD1 ILE 32 -20.544 11.405 -4.196 292 H THR 33 H THR 33 -17.146 8.960 -1.267 293 HA THR 33 HA THR 33 -15.527 11.058 -2.264 294 HB THR 33 HB THR 33 -14.918 9.300 0.132 295 HG1 THR 33 1HG THR 33 -17.058 10.727 -0.371 296 HG21 THR 33 3HG2 THR 33 -13.085 10.768 -0.198 297 HG22 THR 33 1HG2 THR 33 -14.090 11.586 0.995 298 HG23 THR 33 2HG2 THR 33 -14.129 12.102 -0.690 299 H ARG 34 H ARG 34 -15.260 7.829 -3.038 300 HA ARG 34 HA ARG 34 -12.454 8.218 -3.962 301 HB2 ARG 34 2HB ARG 34 -11.712 6.092 -3.043 302 HB3 ARG 34 1HB ARG 34 -12.335 7.091 -1.734 303 HG2 ARG 34 2HG ARG 34 -14.631 5.782 -2.441 304 HG3 ARG 34 1HG ARG 34 -13.449 4.564 -2.887 305 HD2 ARG 34 2HD ARG 34 -12.461 4.780 -0.576 306 HD3 ARG 34 1HD ARG 34 -13.788 5.862 -0.166 307 HE ARG 34 HE ARG 34 -14.924 3.481 -1.209 308 HH11 ARG 34 1HH2 ARG 34 -13.035 4.618 1.443 309 HH12 ARG 34 2HH2 ARG 34 -13.636 3.432 2.553 310 HH21 ARG 34 1HH1 ARG 34 -15.721 1.927 0.227 311 HH22 ARG 34 2HH1 ARG 34 -15.156 1.908 1.864 312 H ASN 35 H ASN 35 -11.904 6.690 -5.693 313 HA ASN 35 HA ASN 35 -14.310 5.893 -7.202 314 HB2 ASN 35 2HB ASN 35 -11.449 5.730 -8.142 315 HB3 ASN 35 1HB ASN 35 -12.908 5.805 -9.127 316 HD21 ASN 35 1HD2 ASN 35 -10.605 7.724 -7.304 317 HD22 ASN 35 2HD2 ASN 35 -11.267 9.237 -7.694 318 HA PRO 36 HA PRO 36 -14.227 1.514 -6.385 319 HB2 PRO 36 2HB PRO 36 -13.923 1.256 -9.380 320 HB3 PRO 36 1HB PRO 36 -15.002 0.372 -8.285 321 HG2 PRO 36 2HG PRO 36 -15.926 2.364 -9.782 322 HG3 PRO 36 1HG PRO 36 -16.502 2.123 -8.121 323 HD2 PRO 36 2HD PRO 36 -14.692 4.248 -9.179 324 HD3 PRO 36 1HD PRO 36 -15.774 4.276 -7.768 325 H ARG 37 H ARG 37 -11.971 2.716 -8.839 326 HA ARG 37 HA ARG 37 -10.058 0.599 -8.605 327 HB2 ARG 37 2HB ARG 37 -9.751 3.459 -9.554 328 HB3 ARG 37 1HB ARG 37 -8.521 2.209 -9.743 329 HG2 ARG 37 2HG ARG 37 -10.160 0.827 -11.009 330 HG3 ARG 37 1HG ARG 37 -11.329 2.141 -10.885 331 HD2 ARG 37 2HD ARG 37 -9.880 3.628 -12.138 332 HD3 ARG 37 1HD ARG 37 -8.586 2.428 -12.140 333 HE ARG 37 HE ARG 37 -11.010 1.389 -13.345 334 HH11 ARG 37 1HH2 ARG 37 -8.229 3.380 -13.791 335 HH12 ARG 37 2HH2 ARG 37 -8.181 3.156 -15.507 336 HH21 ARG 37 1HH1 ARG 37 -10.961 1.085 -15.584 337 HH22 ARG 37 2HH1 ARG 37 -9.727 1.856 -16.523 338 H GLN 38 H GLN 38 -10.617 3.511 -6.726 339 HA GLN 38 HA GLN 38 -7.982 3.602 -5.539 340 HB2 GLN 38 2HB GLN 38 -10.628 4.770 -4.663 341 HB3 GLN 38 1HB GLN 38 -9.096 5.103 -3.861 342 HG2 GLN 38 2HG GLN 38 -9.496 5.558 -6.826 343 HG3 GLN 38 1HG GLN 38 -9.829 6.807 -5.627 344 HE21 GLN 38 1HE2 GLN 38 -7.889 7.634 -7.233 345 HE22 GLN 38 2HE2 GLN 38 -6.338 7.418 -6.579 346 H CYS 39 H CYS 39 -11.066 2.074 -4.487 347 HA CYS 39 HA CYS 39 -9.754 1.194 -1.984 348 HB2 CYS 39 2HB CYS 39 -12.418 0.426 -3.187 349 HB3 CYS 39 1HB CYS 39 -11.864 0.043 -1.560 350 HG CYS 39 HG CYS 39 -12.285 2.382 -0.822 351 H ARG 40 H ARG 40 -10.356 -0.011 -5.197 352 HA ARG 40 HA ARG 40 -10.030 -2.809 -4.674 353 HB2 ARG 40 2HB ARG 40 -10.908 -2.075 -6.800 354 HB3 ARG 40 1HB ARG 40 -9.463 -1.127 -7.123 355 HG2 ARG 40 2HG ARG 40 -9.547 -3.312 -8.371 356 HG3 ARG 40 1HG ARG 40 -8.116 -3.129 -7.365 357 HD2 ARG 40 2HD ARG 40 -8.951 -4.626 -5.722 358 HD3 ARG 40 1HD ARG 40 -10.595 -4.521 -6.344 359 HE ARG 40 HE ARG 40 -8.525 -6.293 -7.324 360 HH11 ARG 40 1HH2 ARG 40 -11.273 -4.382 -8.154 361 HH12 ARG 40 2HH2 ARG 40 -11.700 -5.351 -9.524 362 HH21 ARG 40 1HH1 ARG 40 -9.067 -7.569 -9.109 363 HH22 ARG 40 2HH1 ARG 40 -10.451 -7.155 -10.066 364 H GLU 41 H GLU 41 -7.667 -0.284 -5.611 365 HA GLU 41 HA GLU 41 -5.399 -1.957 -5.733 366 HB2 GLU 41 2HB GLU 41 -4.082 0.109 -5.084 367 HB3 GLU 41 1HB GLU 41 -5.165 0.318 -6.461 368 HG2 GLU 41 2HG GLU 41 -6.780 1.464 -5.145 369 HG3 GLU 41 1HG GLU 41 -5.999 1.004 -3.635 370 H ARG 42 H ARG 42 -7.154 -0.702 -2.933 371 HA ARG 42 HA ARG 42 -5.053 -1.330 -1.027 372 HB2 ARG 42 2HB ARG 42 -8.052 -1.254 -0.596 373 HB3 ARG 42 1HB ARG 42 -6.839 -1.243 0.676 374 HG2 ARG 42 2HG ARG 42 -7.294 0.902 -1.421 375 HG3 ARG 42 1HG ARG 42 -7.599 1.027 0.310 376 HD2 ARG 42 2HD ARG 42 -5.032 0.452 0.528 377 HD3 ARG 42 1HD ARG 42 -4.961 1.015 -1.143 378 HE ARG 42 HE ARG 42 -6.342 3.020 0.184 379 HH11 ARG 42 1HH2 ARG 42 -3.348 1.352 0.562 380 HH12 ARG 42 2HH2 ARG 42 -2.538 2.698 1.293 381 HH21 ARG 42 1HH1 ARG 42 -5.303 4.786 1.138 382 HH22 ARG 42 2HH1 ARG 42 -3.645 4.641 1.617 383 H TRP 43 H TRP 43 -7.819 -3.173 -2.270 384 HA TRP 43 HA TRP 43 -7.773 -5.476 -0.720 385 HB2 TRP 43 2HB TRP 43 -9.252 -5.062 -2.688 386 HB3 TRP 43 1HB TRP 43 -7.890 -5.392 -3.746 387 HD1 TRP 43 HD TRP 43 -7.789 -7.775 -4.585 388 HE1 TRP 43 1HE TRP 43 -8.637 -10.068 -3.771 389 HE3 TRP 43 3HE TRP 43 -9.868 -6.419 -0.126 390 HZ2 TRP 43 2HZ TRP 43 -10.007 -11.183 -1.522 391 HZ3 TRP 43 3HZ TRP 43 -10.934 -8.113 1.334 392 HH2 TRP 43 HH TRP 43 -11.008 -10.492 0.641 393 H ASN 44 H ASN 44 -5.773 -5.090 -3.671 394 HA ASN 44 HA ASN 44 -4.179 -7.426 -2.968 395 HB2 ASN 44 2HB ASN 44 -3.542 -5.316 -5.038 396 HB3 ASN 44 1HB ASN 44 -2.966 -6.983 -4.990 397 HD21 ASN 44 1HD2 ASN 44 -5.831 -4.966 -5.607 398 HD22 ASN 44 2HD2 ASN 44 -6.730 -6.183 -6.377 399 H ASN 45 H ASN 45 -3.577 -3.902 -2.903 400 HA ASN 45 HA ASN 45 -0.850 -4.336 -1.894 401 HB2 ASN 45 2HB ASN 45 -2.470 -1.785 -2.177 402 HB3 ASN 45 1HB ASN 45 -0.744 -1.875 -1.826 403 HD21 ASN 45 1HD2 ASN 45 -2.867 -1.420 -4.359 404 HD22 ASN 45 2HD2 ASN 45 -1.892 -1.964 -5.638 405 H TYR 46 H TYR 46 -3.517 -4.978 -0.266 406 HA TYR 46 HA TYR 46 -2.314 -4.040 2.276 407 HB2 TYR 46 2HB TYR 46 -4.317 -2.505 1.198 408 HB3 TYR 46 1HB TYR 46 -5.264 -3.609 2.189 409 HD1 TYR 46 1HD TYR 46 -3.942 -4.112 4.581 410 HD2 TYR 46 2HD TYR 46 -3.753 -0.488 2.281 411 HE1 TYR 46 1HE TYR 46 -3.325 -2.852 6.620 412 HE2 TYR 46 2HE TYR 46 -3.136 0.770 4.322 413 HH TYR 46 HH TYR 46 -1.899 -0.096 6.711 414 H ILE 47 H ILE 47 -5.294 -5.714 1.092 415 HA ILE 47 HA ILE 47 -4.433 -8.068 2.678 416 HB ILE 47 HB ILE 47 -6.297 -8.235 4.077 417 HG12 ILE 47 2HG1 ILE 47 -8.109 -7.866 2.425 418 HG13 ILE 47 1HG1 ILE 47 -8.365 -6.934 3.882 419 HG21 ILE 47 1HG2 ILE 47 -6.535 -6.067 5.205 420 HG22 ILE 47 2HG2 ILE 47 -5.833 -5.252 3.811 421 HG23 ILE 47 3HG2 ILE 47 -4.858 -6.370 4.761 422 HD11 ILE 47 3HD1 ILE 47 -7.573 -4.910 2.839 423 HD12 ILE 47 1HD1 ILE 47 -8.789 -5.627 1.790 424 HD13 ILE 47 2HD1 ILE 47 -7.085 -5.791 1.404 425 H ASN 48 H ASN 48 -4.570 -9.762 1.473 426 HA ASN 48 HA ASN 48 -6.844 -10.708 0.106 427 HB2 ASN 48 2HB ASN 48 -6.788 -9.619 -1.899 428 HB3 ASN 48 1HB ASN 48 -5.340 -8.780 -1.420 429 HD21 ASN 48 1HD2 ASN 48 -3.345 -9.423 -2.349 430 HD22 ASN 48 2HD2 ASN 48 -3.211 -10.693 -3.468 431 HA PRO 49 HA PRO 49 -3.219 -13.632 -0.540 432 HB2 PRO 49 2HB PRO 49 -0.674 -12.726 -0.780 433 HB3 PRO 49 1HB PRO 49 -1.872 -12.490 -2.068 434 HG2 PRO 49 2HG PRO 49 -0.692 -10.492 -0.266 435 HG3 PRO 49 1HG PRO 49 -1.560 -10.244 -1.782 436 HD2 PRO 49 2HD PRO 49 -2.616 -10.114 0.979 437 HD3 PRO 49 1HD PRO 49 -3.374 -9.563 -0.522 438 H ALA 50 H ALA 50 -3.011 -11.491 2.108 439 HA ALA 50 HA ALA 50 -2.380 -11.861 4.338 440 HB1 ALA 50 1HB ALA 50 -2.313 -14.059 5.144 441 HB2 ALA 50 2HB ALA 50 -1.473 -14.675 3.723 442 HB3 ALA 50 3HB ALA 50 -3.193 -14.301 3.637 443 H LEU 51 H LEU 51 -0.716 -10.441 3.060 444 HA LEU 51 HA LEU 51 1.983 -11.650 2.921 445 HB2 LEU 51 2HB LEU 51 2.491 -9.135 2.214 446 HB3 LEU 51 1HB LEU 51 1.715 -10.236 1.083 447 HG LEU 51 HG LEU 51 -0.502 -9.344 1.722 448 HD11 LEU 51 1HD1 LEU 51 -0.202 -8.693 3.996 449 HD12 LEU 51 2HD1 LEU 51 -0.490 -7.201 3.104 450 HD13 LEU 51 3HD1 LEU 51 1.151 -7.637 3.587 451 HD21 LEU 51 3HD2 LEU 51 -0.297 -7.245 0.595 452 HD22 LEU 51 1HD2 LEU 51 0.932 -8.306 -0.091 453 HD23 LEU 51 2HD2 LEU 51 1.384 -7.083 1.091 454 H ARG 52 H ARG 52 0.596 -11.300 5.516 455 HA ARG 52 HA ARG 52 1.610 -9.074 6.961 456 HB2 ARG 52 2HB ARG 52 -0.104 -10.790 7.759 457 HB3 ARG 52 1HB ARG 52 1.251 -11.870 8.082 458 HG2 ARG 52 2HG ARG 52 2.190 -10.335 9.688 459 HG3 ARG 52 1HG ARG 52 1.035 -9.078 9.244 460 HD2 ARG 52 2HD ARG 52 -0.818 -10.481 10.056 461 HD3 ARG 52 1HD ARG 52 0.327 -11.749 10.492 462 HE ARG 52 HE ARG 52 1.040 -9.255 11.757 463 HH11 ARG 52 1HH2 ARG 52 -1.158 -11.913 11.813 464 HH12 ARG 52 2HH2 ARG 52 -1.462 -11.795 13.514 465 HH21 ARG 52 1HH1 ARG 52 0.654 -9.088 13.977 466 HH22 ARG 52 2HH1 ARG 52 -0.437 -10.196 14.739 467 H THR 53 H THR 53 3.298 -11.497 5.386 468 HA THR 53 HA THR 53 5.810 -10.738 6.754 469 HB THR 53 HB THR 53 5.285 -12.621 8.106 470 HG1 THR 53 1HG THR 53 7.341 -12.867 7.399 471 HG21 THR 53 3HG2 THR 53 4.561 -14.791 7.079 472 HG22 THR 53 1HG2 THR 53 4.442 -13.965 5.526 473 HG23 THR 53 2HG2 THR 53 3.393 -13.488 6.861 474 H ASP 54 H ASP 54 5.569 -9.823 4.384 475 HA ASP 54 HA ASP 54 6.999 -11.717 2.540 476 HB2 ASP 54 2HB ASP 54 4.571 -11.407 1.897 477 HB3 ASP 54 1HB ASP 54 4.914 -9.692 1.680 478 HA PRO 55 HA PRO 55 8.960 -7.459 3.191 479 HB2 PRO 55 2HB PRO 55 11.269 -8.259 4.413 480 HB3 PRO 55 1HB PRO 55 9.771 -7.962 5.317 481 HG2 PRO 55 2HG PRO 55 10.869 -10.565 4.322 482 HG3 PRO 55 1HG PRO 55 10.252 -10.158 5.937 483 HD2 PRO 55 2HD PRO 55 8.698 -11.448 4.139 484 HD3 PRO 55 1HD PRO 55 8.006 -10.237 5.244 485 H TRP 56 H TRP 56 10.260 -6.646 1.641 486 HA TRP 56 HA TRP 56 11.359 -8.441 -0.399 487 HB2 TRP 56 2HB TRP 56 12.171 -6.027 -1.268 488 HB3 TRP 56 1HB TRP 56 10.514 -6.572 -1.470 489 HD1 TRP 56 HD TRP 56 8.739 -5.720 0.448 490 HE1 TRP 56 1HE TRP 56 8.620 -3.442 1.650 491 HE3 TRP 56 3HE TRP 56 13.517 -4.128 -0.302 492 HZ2 TRP 56 2HZ TRP 56 10.362 -1.231 2.213 493 HZ3 TRP 56 3HZ TRP 56 14.259 -1.943 0.556 494 HH2 TRP 56 HH TRP 56 12.698 -0.489 1.823 495 H SER 57 H SER 57 13.706 -7.012 -1.147 496 HA SER 57 HA SER 57 15.486 -7.161 1.241 497 HB2 SER 57 2HB SER 57 16.587 -8.576 -1.121 498 HB3 SER 57 1HB SER 57 16.539 -9.090 0.567 499 HG SER 57 HG SER 57 14.965 -10.324 -0.027 500 HA PRO 58 HA PRO 58 18.103 -3.993 -0.401 501 HB2 PRO 58 2HB PRO 58 20.086 -6.037 -1.388 502 HB3 PRO 58 1HB PRO 58 20.381 -4.531 -0.487 503 HG2 PRO 58 2HG PRO 58 20.424 -6.809 0.807 504 HG3 PRO 58 1HG PRO 58 19.555 -5.429 1.514 505 HD2 PRO 58 2HD PRO 58 18.434 -7.841 0.116 506 HD3 PRO 58 1HD PRO 58 17.806 -6.988 1.546 507 H GLU 59 H GLU 59 17.102 -6.467 -2.554 508 HA GLU 59 HA GLU 59 18.083 -5.295 -5.004 509 HB2 GLU 59 2HB GLU 59 15.820 -7.268 -4.547 510 HB3 GLU 59 1HB GLU 59 16.570 -6.902 -6.101 511 HG2 GLU 59 2HG GLU 59 18.772 -7.644 -5.133 512 HG3 GLU 59 1HG GLU 59 17.900 -8.176 -3.696 513 H GLU 60 H GLU 60 14.956 -5.310 -3.262 514 HA GLU 60 HA GLU 60 13.788 -3.457 -5.212 515 HB2 GLU 60 2HB GLU 60 12.698 -4.078 -2.464 516 HB3 GLU 60 1HB GLU 60 11.814 -3.566 -3.895 517 HG2 GLU 60 2HG GLU 60 13.227 -6.223 -3.527 518 HG3 GLU 60 1HG GLU 60 11.483 -5.964 -3.543 519 H ASP 61 H ASP 61 15.671 -3.298 -2.308 520 HA ASP 61 HA ASP 61 14.939 -0.657 -1.450 521 HB2 ASP 61 2HB ASP 61 16.412 -2.383 -0.207 522 HB3 ASP 61 1HB ASP 61 17.730 -1.824 -1.231 523 H MET 62 H MET 62 17.730 -1.773 -3.385 524 HA MET 62 HA MET 62 18.546 0.832 -4.208 525 HB2 MET 62 2HB MET 62 18.948 -1.864 -5.542 526 HB3 MET 62 1HB MET 62 19.792 -0.384 -6.000 527 HG2 MET 62 2HG MET 62 19.855 -1.533 -3.199 528 HG3 MET 62 1HG MET 62 21.082 -1.879 -4.417 529 HE1 MET 62 3HE MET 62 23.193 0.475 -2.373 530 HE2 MET 62 1HE MET 62 23.205 -0.881 -3.508 531 HE3 MET 62 2HE MET 62 22.251 -0.974 -2.030 532 H LEU 63 H LEU 63 16.254 -1.520 -5.554 533 HA LEU 63 HA LEU 63 15.807 0.047 -7.987 534 HB2 LEU 63 2HB LEU 63 15.282 -2.525 -7.385 535 HB3 LEU 63 1HB LEU 63 13.710 -1.864 -6.966 536 HG LEU 63 HG LEU 63 15.127 -1.647 -9.642 537 HD11 LEU 63 1HD1 LEU 63 12.634 -3.090 -8.700 538 HD12 LEU 63 2HD1 LEU 63 14.121 -3.819 -9.304 539 HD13 LEU 63 3HD1 LEU 63 13.079 -2.907 -10.396 540 HD21 LEU 63 3HD2 LEU 63 12.627 -0.318 -8.568 541 HD22 LEU 63 1HD2 LEU 63 12.829 -0.617 -10.295 542 HD23 LEU 63 2HD2 LEU 63 13.974 0.411 -9.442 543 H LEU 64 H LEU 64 14.507 -0.054 -4.754 544 HA LEU 64 HA LEU 64 12.156 1.563 -5.292 545 HB2 LEU 64 2HB LEU 64 12.132 0.162 -3.331 546 HB3 LEU 64 1HB LEU 64 13.655 0.834 -2.758 547 HG LEU 64 HG LEU 64 12.585 2.991 -2.332 548 HD11 LEU 64 1HD1 LEU 64 10.207 1.653 -3.646 549 HD12 LEU 64 2HD1 LEU 64 10.962 3.191 -4.062 550 HD13 LEU 64 3HD1 LEU 64 10.016 3.049 -2.585 551 HD21 LEU 64 3HD2 LEU 64 11.259 2.338 -0.461 552 HD22 LEU 64 1HD2 LEU 64 12.420 1.032 -0.681 553 HD23 LEU 64 2HD2 LEU 64 10.757 0.839 -1.238 554 H ASP 65 H ASP 65 15.475 2.178 -4.181 555 HA ASP 65 HA ASP 65 15.294 4.886 -3.488 556 HB2 ASP 65 2HB ASP 65 17.365 3.420 -3.429 557 HB3 ASP 65 1HB ASP 65 17.533 3.714 -5.159 558 H GLN 66 H GLN 66 15.128 3.387 -6.644 559 HA GLN 66 HA GLN 66 15.410 5.896 -8.119 560 HB2 GLN 66 2HB GLN 66 15.999 3.640 -9.065 561 HB3 GLN 66 1HB GLN 66 14.277 3.257 -9.087 562 HG2 GLN 66 2HG GLN 66 13.850 5.171 -10.566 563 HG3 GLN 66 1HG GLN 66 15.559 5.604 -10.519 564 HE21 GLN 66 1HE2 GLN 66 15.937 2.432 -10.448 565 HE22 GLN 66 2HE2 GLN 66 15.883 2.038 -12.098 566 H LYS 67 H LYS 67 12.697 3.792 -7.165 567 HA LYS 67 HA LYS 67 10.716 5.528 -8.434 568 HB2 LYS 67 2HB LYS 67 10.172 3.472 -6.278 569 HB3 LYS 67 1HB LYS 67 9.087 4.024 -7.552 570 HG2 LYS 67 2HG LYS 67 11.619 2.399 -7.931 571 HG3 LYS 67 1HG LYS 67 9.965 1.818 -8.122 572 HD2 LYS 67 2HD LYS 67 9.699 3.674 -9.897 573 HD3 LYS 67 1HD LYS 67 11.457 3.810 -9.846 574 HE2 LYS 67 2HE LYS 67 11.694 1.458 -10.456 575 HE3 LYS 67 1HE LYS 67 9.943 1.246 -10.421 576 HZ1 LYS 67 3HZ LYS 67 9.867 3.067 -12.139 577 HZ2 LYS 67 1HZ LYS 67 10.509 1.586 -12.658 578 HZ3 LYS 67 2HZ LYS 67 11.548 2.880 -12.297 579 H TYR 68 H TYR 68 11.530 4.802 -5.033 580 HA TYR 68 HA TYR 68 9.862 6.673 -3.772 581 HB2 TYR 68 2HB TYR 68 11.052 5.168 -2.367 582 HB3 TYR 68 1HB TYR 68 12.601 5.588 -3.088 583 HD1 TYR 68 2HD TYR 68 13.617 7.837 -2.644 584 HD2 TYR 68 1HD TYR 68 10.150 6.438 -0.530 585 HE1 TYR 68 2HE TYR 68 13.983 9.564 -0.908 586 HE2 TYR 68 1HE TYR 68 10.514 8.167 1.206 587 HH TYR 68 HH TYR 68 13.329 10.349 1.070 588 H ALA 69 H ALA 69 13.140 7.151 -5.073 589 HA ALA 69 HA ALA 69 13.558 9.828 -4.363 590 HB1 ALA 69 1HB ALA 69 15.341 8.666 -5.441 591 HB2 ALA 69 2HB ALA 69 14.867 9.922 -6.582 592 HB3 ALA 69 3HB ALA 69 14.336 8.258 -6.832 593 H GLU 70 H GLU 70 11.456 8.466 -6.811 594 HA GLU 70 HA GLU 70 10.802 11.128 -7.937 595 HB2 GLU 70 2HB GLU 70 10.003 8.288 -8.616 596 HB3 GLU 70 1HB GLU 70 9.275 9.689 -9.401 597 HG2 GLU 70 2HG GLU 70 12.268 9.228 -9.302 598 HG3 GLU 70 1HG GLU 70 11.254 8.666 -10.631 599 H TYR 71 H TYR 71 8.977 8.364 -6.550 600 HA TYR 71 HA TYR 71 6.661 10.090 -6.051 601 HB2 TYR 71 2HB TYR 71 7.035 7.245 -5.124 602 HB3 TYR 71 1HB TYR 71 5.526 8.106 -5.416 603 HD1 TYR 71 1HD TYR 71 5.003 8.904 -7.784 604 HD2 TYR 71 2HD TYR 71 8.101 6.067 -6.899 605 HE1 TYR 71 1HE TYR 71 5.009 8.173 -10.153 606 HE2 TYR 71 2HE TYR 71 8.109 5.336 -9.270 607 HH TYR 71 HH TYR 71 7.456 6.402 -11.522 608 H GLY 72 H GLY 72 9.067 8.397 -4.051 609 HA2 GLY 72 2HA GLY 72 9.893 9.304 -1.965 610 HA3 GLY 72 1HA GLY 72 8.437 10.283 -1.835 611 HA PRO 73 HA PRO 73 7.637 6.604 0.785 612 HB2 PRO 73 2HB PRO 73 6.215 7.779 2.773 613 HB3 PRO 73 1HB PRO 73 7.984 7.925 2.675 614 HG2 PRO 73 2HG PRO 73 5.881 9.893 1.870 615 HG3 PRO 73 1HG PRO 73 7.432 10.176 2.684 616 HD2 PRO 73 2HD PRO 73 7.010 10.547 -0.045 617 HD3 PRO 73 1HD PRO 73 8.606 10.253 0.681 618 H LYS 74 H LYS 74 5.997 7.635 -1.565 619 HA LYS 74 HA LYS 74 3.207 7.247 -0.680 620 HB2 LYS 74 2HB LYS 74 4.517 7.620 -3.377 621 HB3 LYS 74 1HB LYS 74 2.785 7.357 -3.184 622 HG2 LYS 74 2HG LYS 74 2.620 9.355 -1.764 623 HG3 LYS 74 1HG LYS 74 4.361 9.610 -1.902 624 HD2 LYS 74 2HD LYS 74 4.147 9.905 -4.331 625 HD3 LYS 74 1HD LYS 74 2.412 9.601 -4.227 626 HE2 LYS 74 2HE LYS 74 3.893 11.890 -2.896 627 HE3 LYS 74 1HE LYS 74 2.848 12.019 -4.311 628 HZ1 LYS 74 3HZ LYS 74 1.211 10.790 -2.639 629 HZ2 LYS 74 1HZ LYS 74 1.322 12.480 -2.736 630 HZ3 LYS 74 2HZ LYS 74 2.150 11.644 -1.509 631 H TRP 75 H TRP 75 4.007 5.055 0.230 632 HA TRP 75 HA TRP 75 4.765 2.909 -1.407 633 HB2 TRP 75 2HB TRP 75 2.896 2.519 0.924 634 HB3 TRP 75 1HB TRP 75 4.255 1.518 0.418 635 HD1 TRP 75 HD TRP 75 3.411 3.793 3.034 636 HE1 TRP 75 1HE TRP 75 5.486 4.886 4.096 637 HE3 TRP 75 3HE TRP 75 6.913 2.766 -0.553 638 HZ2 TRP 75 2HZ TRP 75 8.246 5.294 3.507 639 HZ3 TRP 75 3HZ TRP 75 9.243 3.530 -0.276 640 HH2 TRP 75 HH TRP 75 9.919 4.791 1.745 641 H ASN 76 H ASN 76 1.980 4.678 -1.668 642 HA ASN 76 HA ASN 76 0.109 2.555 -2.331 643 HB2 ASN 76 2HB ASN 76 -0.578 4.875 -1.620 644 HB3 ASN 76 1HB ASN 76 0.022 5.471 -3.169 645 HD21 ASN 76 1HD2 ASN 76 -2.251 6.106 -3.692 646 HD22 ASN 76 2HD2 ASN 76 -3.357 4.925 -4.204 647 H LYS 77 H LYS 77 2.405 4.586 -4.072 648 HA LYS 77 HA LYS 77 1.605 3.501 -6.697 649 HB2 LYS 77 2HB LYS 77 3.804 5.381 -5.794 650 HB3 LYS 77 1HB LYS 77 3.612 4.855 -7.467 651 HG2 LYS 77 2HG LYS 77 1.338 5.782 -7.519 652 HG3 LYS 77 1HG LYS 77 1.486 6.272 -5.832 653 HD2 LYS 77 2HD LYS 77 3.434 7.702 -6.460 654 HD3 LYS 77 1HD LYS 77 3.161 7.280 -8.151 655 HE2 LYS 77 2HE LYS 77 0.819 8.178 -7.918 656 HE3 LYS 77 1HE LYS 77 1.258 8.754 -6.310 657 HZ1 LYS 77 3HZ LYS 77 2.220 9.662 -8.934 658 HZ2 LYS 77 1HZ LYS 77 3.231 9.823 -7.582 659 HZ3 LYS 77 2HZ LYS 77 1.709 10.577 -7.597 660 H ILE 78 H ILE 78 4.209 3.176 -4.328 661 HA ILE 78 HA ILE 78 5.879 1.469 -5.922 662 HB ILE 78 HB ILE 78 5.699 1.392 -2.901 663 HG12 ILE 78 2HG1 ILE 78 5.700 3.742 -3.419 664 HG13 ILE 78 1HG1 ILE 78 7.345 3.314 -2.958 665 HG21 ILE 78 1HG2 ILE 78 8.107 1.280 -4.736 666 HG22 ILE 78 2HG2 ILE 78 7.239 -0.157 -4.195 667 HG23 ILE 78 3HG2 ILE 78 8.044 0.881 -3.019 668 HD11 ILE 78 3HD1 ILE 78 7.564 4.661 -4.911 669 HD12 ILE 78 1HD1 ILE 78 6.259 3.809 -5.736 670 HD13 ILE 78 2HD1 ILE 78 7.804 3.004 -5.462 671 H SER 79 H SER 79 3.578 0.711 -3.279 672 HA SER 79 HA SER 79 3.716 -2.089 -3.413 673 HB2 SER 79 2HB SER 79 1.550 -2.134 -2.374 674 HB3 SER 79 1HB SER 79 2.383 -0.708 -1.763 675 HG SER 79 HG SER 79 0.748 -0.591 -4.061 676 H LYS 80 H LYS 80 2.267 0.113 -5.694 677 HA LYS 80 HA LYS 80 0.682 -1.952 -7.035 678 HB2 LYS 80 2HB LYS 80 1.432 0.902 -7.712 679 HB3 LYS 80 1HB LYS 80 0.545 -0.119 -8.845 680 HG2 LYS 80 2HG LYS 80 -1.257 -0.425 -7.252 681 HG3 LYS 80 1HG LYS 80 -0.351 0.426 -6.001 682 HD2 LYS 80 2HD LYS 80 -0.489 2.506 -7.199 683 HD3 LYS 80 1HD LYS 80 -1.132 1.705 -8.632 684 HE2 LYS 80 2HE LYS 80 -3.184 1.147 -7.474 685 HE3 LYS 80 1HE LYS 80 -2.535 1.743 -5.947 686 HZ1 LYS 80 3HZ LYS 80 -3.881 3.183 -7.921 687 HZ2 LYS 80 1HZ LYS 80 -2.286 3.756 -7.883 688 HZ3 LYS 80 2HZ LYS 80 -3.224 3.763 -6.466 689 H PHE 81 H PHE 81 3.946 -0.835 -7.088 690 HA PHE 81 HA PHE 81 4.502 -1.905 -9.778 691 HB2 PHE 81 2HB PHE 81 6.065 -0.484 -7.636 692 HB3 PHE 81 1HB PHE 81 6.964 -1.432 -8.817 693 HD1 PHE 81 2HD PHE 81 3.885 0.715 -9.077 694 HD2 PHE 81 1HD PHE 81 7.910 0.021 -10.418 695 HE1 PHE 81 2HE PHE 81 3.665 2.568 -10.704 696 HE2 PHE 81 1HE PHE 81 7.685 1.875 -12.045 697 HZ PHE 81 HZ PHE 81 5.564 3.149 -12.189 698 H LEU 82 H LEU 82 4.261 -3.040 -6.583 699 HA LEU 82 HA LEU 82 6.015 -5.412 -7.091 700 HB2 LEU 82 2HB LEU 82 4.525 -4.728 -4.541 701 HB3 LEU 82 1HB LEU 82 5.891 -5.825 -4.736 702 HG LEU 82 HG LEU 82 6.015 -2.834 -5.231 703 HD11 LEU 82 1HD1 LEU 82 7.213 -2.710 -3.111 704 HD12 LEU 82 2HD1 LEU 82 7.016 -4.445 -2.877 705 HD13 LEU 82 3HD1 LEU 82 5.607 -3.390 -2.858 706 HD21 LEU 82 3HD2 LEU 82 8.523 -3.358 -5.037 707 HD22 LEU 82 1HD2 LEU 82 7.728 -3.917 -6.505 708 HD23 LEU 82 2HD2 LEU 82 8.076 -5.056 -5.206 709 H LYS 83 H LYS 83 2.738 -4.719 -5.835 710 HA LYS 83 HA LYS 83 0.741 -5.887 -6.064 711 HB2 LYS 83 2HB LYS 83 1.988 -7.559 -8.256 712 HB3 LYS 83 1HB LYS 83 0.317 -7.039 -8.074 713 HG2 LYS 83 2HG LYS 83 1.373 -4.598 -8.287 714 HG3 LYS 83 1HG LYS 83 2.696 -5.468 -9.056 715 HD2 LYS 83 2HD LYS 83 1.351 -4.985 -10.908 716 HD3 LYS 83 1HD LYS 83 0.761 -6.590 -10.481 717 HE2 LYS 83 2HE LYS 83 -1.108 -5.584 -9.230 718 HE3 LYS 83 1HE LYS 83 -0.497 -3.971 -9.594 719 HZ1 LYS 83 3HZ LYS 83 -2.132 -4.383 -11.189 720 HZ2 LYS 83 1HZ LYS 83 -1.611 -5.973 -11.462 721 HZ3 LYS 83 2HZ LYS 83 -0.670 -4.667 -12.006 722 H ASN 84 H ASN 84 3.438 -6.903 -4.828 723 HA ASN 84 HA ASN 84 2.387 -9.601 -4.078 724 HB2 ASN 84 2HB ASN 84 5.226 -8.744 -4.679 725 HB3 ASN 84 1HB ASN 84 4.850 -10.219 -3.788 726 HD21 ASN 84 1HD2 ASN 84 3.352 -8.689 -6.701 727 HD22 ASN 84 2HD2 ASN 84 3.462 -10.081 -7.665 728 H ARG 85 H ARG 85 3.277 -6.506 -3.092 729 HA ARG 85 HA ARG 85 3.359 -7.384 -0.216 730 HB2 ARG 85 2HB ARG 85 5.129 -5.322 -1.568 731 HB3 ARG 85 1HB ARG 85 4.955 -5.470 0.177 732 HG2 ARG 85 2HG ARG 85 6.815 -6.837 -0.114 733 HG3 ARG 85 1HG ARG 85 5.568 -8.047 -0.335 734 HD2 ARG 85 2HD ARG 85 5.722 -7.298 -2.879 735 HD3 ARG 85 1HD ARG 85 7.322 -6.741 -2.395 736 HE ARG 85 HE ARG 85 6.840 -9.446 -1.494 737 HH11 ARG 85 1HH2 ARG 85 7.620 -7.452 -4.198 738 HH12 ARG 85 2HH2 ARG 85 8.484 -8.696 -5.035 739 HH21 ARG 85 1HH1 ARG 85 7.964 -11.082 -2.574 740 HH22 ARG 85 2HH1 ARG 85 8.680 -10.751 -4.116 741 H SER 86 H SER 86 3.052 -5.292 1.170 742 HA SER 86 HA SER 86 0.862 -3.638 -0.037 743 HB2 SER 86 2HB SER 86 -0.368 -5.022 1.389 744 HB3 SER 86 1HB SER 86 0.974 -5.226 2.509 745 HG SER 86 HG SER 86 -0.324 -2.744 2.090 746 H ASP 87 H ASP 87 0.579 -1.616 1.065 747 HA ASP 87 HA ASP 87 2.983 -0.183 1.426 748 HB2 ASP 87 2HB ASP 87 1.452 1.564 2.522 749 HB3 ASP 87 1HB ASP 87 1.020 1.073 0.884 750 H ASN 88 H ASN 88 0.949 -1.900 3.686 751 HA ASN 88 HA ASN 88 2.175 -0.890 6.091 752 HB2 ASN 88 2HB ASN 88 0.650 -3.439 5.480 753 HB3 ASN 88 1HB ASN 88 1.235 -3.041 7.096 754 HD21 ASN 88 1HD2 ASN 88 -0.920 -2.739 7.978 755 HD22 ASN 88 2HD2 ASN 88 -1.891 -1.420 7.532 756 H ASN 89 H ASN 89 2.999 -3.381 3.761 757 HA ASN 89 HA ASN 89 5.079 -4.572 5.456 758 HB2 ASN 89 2HB ASN 89 3.700 -5.767 3.657 759 HB3 ASN 89 1HB ASN 89 4.674 -4.903 2.470 760 HD21 ASN 89 1HD2 ASN 89 5.877 -6.701 1.683 761 HD22 ASN 89 2HD2 ASN 89 6.948 -7.595 2.650 762 H ILE 90 H ILE 90 4.806 -2.290 2.799 763 HA ILE 90 HA ILE 90 7.686 -1.997 2.429 764 HB ILE 90 HB ILE 90 5.387 -0.261 1.492 765 HG12 ILE 90 2HG1 ILE 90 6.843 -2.461 0.005 766 HG13 ILE 90 1HG1 ILE 90 5.304 -2.705 0.808 767 HG21 ILE 90 1HG2 ILE 90 7.534 0.889 1.328 768 HG22 ILE 90 2HG2 ILE 90 7.012 0.405 -0.286 769 HG23 ILE 90 3HG2 ILE 90 8.260 -0.518 0.552 770 HD11 ILE 90 3HD1 ILE 90 4.446 -2.164 -1.214 771 HD12 ILE 90 1HD1 ILE 90 5.899 -1.319 -1.730 772 HD13 ILE 90 2HD1 ILE 90 4.718 -0.503 -0.711 773 H ARG 91 H ARG 91 5.090 0.111 3.641 774 HA ARG 91 HA ARG 91 6.653 2.264 4.561 775 HB2 ARG 91 2HB ARG 91 4.118 2.096 4.530 776 HB3 ARG 91 1HB ARG 91 4.234 1.125 5.990 777 HG2 ARG 91 2HG ARG 91 5.571 3.061 7.007 778 HG3 ARG 91 1HG ARG 91 5.052 4.014 5.618 779 HD2 ARG 91 2HD ARG 91 2.671 3.381 6.202 780 HD3 ARG 91 1HD ARG 91 3.299 2.699 7.703 781 HE ARG 91 HE ARG 91 4.291 5.335 7.543 782 HH11 ARG 91 1HH2 ARG 91 1.283 3.654 7.689 783 HH12 ARG 91 2HH2 ARG 91 0.458 4.932 8.517 784 HH21 ARG 91 1HH1 ARG 91 3.230 7.012 8.623 785 HH22 ARG 91 2HH1 ARG 91 1.560 6.833 9.046 786 H ASN 92 H ASN 92 6.049 -0.879 5.957 787 HA ASN 92 HA ASN 92 7.310 -0.244 8.525 788 HB2 ASN 92 2HB ASN 92 5.499 -1.924 8.343 789 HB3 ASN 92 1HB ASN 92 6.544 -2.923 7.332 790 HD21 ASN 92 1HD2 ASN 92 8.232 -4.129 8.368 791 HD22 ASN 92 2HD2 ASN 92 8.423 -4.178 10.055 792 H ARG 93 H ARG 93 8.248 -1.996 5.553 793 HA ARG 93 HA ARG 93 10.805 -2.815 6.692 794 HB2 ARG 93 2HB ARG 93 9.452 -3.008 4.030 795 HB3 ARG 93 1HB ARG 93 11.210 -3.062 4.000 796 HG2 ARG 93 2HG ARG 93 10.429 -5.331 4.162 797 HG3 ARG 93 1HG ARG 93 11.115 -4.905 5.722 798 HD2 ARG 93 2HD ARG 93 8.547 -4.196 6.206 799 HD3 ARG 93 1HD ARG 93 8.264 -5.440 4.995 800 HE ARG 93 HE ARG 93 10.085 -6.536 6.833 801 HH11 ARG 93 1HH2 ARG 93 6.905 -5.202 6.777 802 HH12 ARG 93 2HH2 ARG 93 6.328 -6.180 8.085 803 HH21 ARG 93 1HH1 ARG 93 9.350 -7.819 8.542 804 HH22 ARG 93 2HH1 ARG 93 7.713 -7.661 9.084 805 H TRP 94 H TRP 94 9.758 -0.200 4.519 806 HA TRP 94 HA TRP 94 12.344 0.884 4.018 807 HB2 TRP 94 2HB TRP 94 10.392 1.616 2.741 808 HB3 TRP 94 1HB TRP 94 9.648 2.269 4.198 809 HD1 TRP 94 HD TRP 94 10.279 4.659 4.893 810 HE1 TRP 94 1HE TRP 94 11.918 6.438 4.000 811 HE3 TRP 94 3HE TRP 94 12.864 1.853 1.500 812 HZ2 TRP 94 2HZ TRP 94 14.044 6.642 2.098 813 HZ3 TRP 94 3HZ TRP 94 14.689 2.863 0.162 814 HH2 TRP 94 HH TRP 94 15.282 5.252 0.456 815 H MET 95 H MET 95 10.030 1.439 6.659 816 HA MET 95 HA MET 95 11.581 3.510 7.932 817 HB2 MET 95 2HB MET 95 9.151 3.104 8.366 818 HB3 MET 95 1HB MET 95 9.584 1.611 9.199 819 HG2 MET 95 2HG MET 95 10.857 2.832 10.859 820 HG3 MET 95 1HG MET 95 10.647 4.342 9.972 821 HE1 MET 95 3HE MET 95 10.014 3.502 13.042 822 HE2 MET 95 1HE MET 95 8.556 4.452 13.365 823 HE3 MET 95 2HE MET 95 9.903 5.171 12.486 824 H MET 96 H MET 96 11.564 -0.015 8.146 825 HA MET 96 HA MET 96 13.375 -0.069 10.447 826 HB2 MET 96 2HB MET 96 11.709 -1.890 9.938 827 HB3 MET 96 1HB MET 96 12.677 -2.308 8.524 828 HG2 MET 96 2HG MET 96 14.622 -2.742 9.959 829 HG3 MET 96 1HG MET 96 13.689 -2.281 11.383 830 HE1 MET 96 3HE MET 96 14.322 -6.212 11.376 831 HE2 MET 96 1HE MET 96 14.923 -4.643 11.927 832 HE3 MET 96 2HE MET 96 15.249 -5.187 10.284 833 H ILE 97 H ILE 97 13.593 -0.280 6.938 834 HA ILE 97 HA ILE 97 16.456 -0.926 7.003 835 HB ILE 97 HB ILE 97 14.593 -0.205 4.720 836 HG12 ILE 97 2HG1 ILE 97 15.837 -2.878 5.434 837 HG13 ILE 97 1HG1 ILE 97 14.232 -2.395 5.983 838 HG21 ILE 97 1HG2 ILE 97 17.498 -1.069 4.775 839 HG22 ILE 97 2HG2 ILE 97 16.821 0.384 4.040 840 HG23 ILE 97 3HG2 ILE 97 16.490 -1.196 3.332 841 HD11 ILE 97 3HD1 ILE 97 13.419 -2.229 3.732 842 HD12 ILE 97 1HD1 ILE 97 14.267 -3.770 3.850 843 HD13 ILE 97 2HD1 ILE 97 15.043 -2.394 3.066 844 H ALA 98 H ALA 98 14.396 1.897 6.674 845 HA ALA 98 HA ALA 98 16.516 3.652 5.737 846 HB1 ALA 98 1HB ALA 98 14.914 5.471 6.304 847 HB2 ALA 98 2HB ALA 98 13.849 4.275 7.041 848 HB3 ALA 98 3HB ALA 98 14.171 4.220 5.307 849 H ARG 99 H ARG 99 15.600 2.324 8.752 850 HA ARG 99 HA ARG 99 16.634 4.429 10.442 851 HB2 ARG 99 2HB ARG 99 14.988 2.859 11.323 852 HB3 ARG 99 1HB ARG 99 16.053 1.500 10.979 853 HG2 ARG 99 2HG ARG 99 16.073 2.171 13.387 854 HG3 ARG 99 1HG ARG 99 17.663 2.278 12.640 855 HD2 ARG 99 2HD ARG 99 17.607 4.638 12.578 856 HD3 ARG 99 1HD ARG 99 15.850 4.693 12.735 857 HE ARG 99 HE ARG 99 16.717 3.507 15.096 858 HH11 ARG 99 1HH2 ARG 99 17.357 6.398 13.329 859 HH12 ARG 99 2HH2 ARG 99 17.706 7.341 14.740 860 HH21 ARG 99 1HH1 ARG 99 17.169 4.721 16.947 861 HH22 ARG 99 2HH1 ARG 99 17.600 6.391 16.788 862 H HIS 100 H HIS 100 18.031 1.875 8.601 863 HA HIS 100 HA HIS 100 20.438 1.598 10.200 864 HB2 HIS 100 2HB HIS 100 19.654 -0.231 8.741 865 HB3 HIS 100 1HB HIS 100 19.873 0.800 7.327 866 HD1 HIS 100 1HD HIS 100 22.500 1.473 9.722 867 HD2 HIS 100 2HD HIS 100 21.883 -1.388 6.749 868 HE1 HIS 100 1HE HIS 100 24.766 0.454 9.225 869 HE2 HIS 100 2HE HIS 100 24.402 -1.288 7.417 870 H ARG 101 H ARG 101 19.530 3.306 7.215 871 HA ARG 101 HA ARG 101 22.198 4.526 7.027 872 HB2 ARG 101 2HB ARG 101 21.142 5.755 5.072 873 HB3 ARG 101 1HB ARG 101 21.170 3.998 4.926 874 HG2 ARG 101 2HG ARG 101 18.861 3.831 5.597 875 HG3 ARG 101 1HG ARG 101 18.801 5.545 6.004 876 HD2 ARG 101 2HD ARG 101 19.329 6.052 3.586 877 HD3 ARG 101 1HD ARG 101 19.138 4.331 3.248 878 HE ARG 101 HE ARG 101 16.804 4.623 3.406 879 HH11 ARG 101 1HH2 ARG 101 18.535 7.217 4.878 880 HH12 ARG 101 2HH2 ARG 101 17.119 8.169 5.177 881 HH21 ARG 101 1HH1 ARG 101 14.946 5.852 3.787 882 HH22 ARG 101 2HH1 ARG 101 15.087 7.396 4.560 883 H ALA 102 H ALA 102 19.246 5.187 8.597 884 HA ALA 102 HA ALA 102 19.197 8.040 8.509 885 HB1 ALA 102 1HB ALA 102 18.290 6.116 10.671 886 HB2 ALA 102 2HB ALA 102 17.297 6.799 9.382 887 HB3 ALA 102 3HB ALA 102 17.921 7.841 10.662 888 H LYS 103 H LYS 103 21.153 5.776 10.336 889 HA LYS 103 HA LYS 103 22.105 7.715 12.273 890 HB2 LYS 103 2HB LYS 103 23.070 4.990 11.374 891 HB3 LYS 103 1HB LYS 103 23.914 5.929 12.606 892 HG2 LYS 103 2HG LYS 103 22.016 5.898 14.067 893 HG3 LYS 103 1HG LYS 103 20.962 5.286 12.793 894 HD2 LYS 103 2HD LYS 103 21.640 3.510 14.409 895 HD3 LYS 103 1HD LYS 103 22.157 3.161 12.760 896 HE2 LYS 103 2HE LYS 103 23.891 2.836 14.669 897 HE3 LYS 103 1HE LYS 103 24.412 3.701 13.224 898 HZ1 LYS 103 3HZ LYS 103 23.207 5.303 15.333 899 HZ2 LYS 103 1HZ LYS 103 24.520 5.654 14.318 900 HZ3 LYS 103 2HZ LYS 103 24.739 4.650 15.669 901 H HIS 104 H HIS 104 22.363 8.026 9.151 902 HA HIS 104 HA HIS 104 23.933 8.921 7.653 903 HB2 HIS 104 2HB HIS 104 24.887 10.032 10.305 904 HB3 HIS 104 1HB HIS 104 25.528 10.551 8.747 905 HD1 HIS 104 1HD HIS 104 24.453 12.942 9.497 906 HD2 HIS 104 2HD HIS 104 21.744 9.908 8.569 907 HE1 HIS 104 1HE HIS 104 22.216 14.070 9.109 908 HE2 HIS 104 2HE HIS 104 20.561 12.232 8.544 909 H GLN 105 H GLN 105 24.533 6.306 9.176 910 HA GLN 105 HA GLN 105 27.429 6.203 9.391 911 HB2 GLN 105 2HB GLN 105 25.908 4.679 10.646 912 HB3 GLN 105 1HB GLN 105 25.434 3.934 9.119 913 HG2 GLN 105 2HG GLN 105 27.673 3.148 8.716 914 HG3 GLN 105 1HG GLN 105 28.307 4.087 10.068 915 HE21 GLN 105 1HE2 GLN 105 29.072 1.762 10.701 916 HE22 GLN 105 2HE2 GLN 105 27.995 0.837 11.632 917 H LYS 106 H LYS 106 25.095 5.712 6.834 918 HA LYS 106 HA LYS 106 26.569 4.116 5.040 919 HB2 LYS 106 2HB LYS 106 24.206 4.921 4.711 920 HB3 LYS 106 1HB LYS 106 24.860 6.501 4.276 921 HG2 LYS 106 2HG LYS 106 26.049 5.561 2.389 922 HG3 LYS 106 1HG LYS 106 25.615 3.922 2.874 923 HD2 LYS 106 2HD LYS 106 23.197 4.549 2.592 924 HD3 LYS 106 1HD LYS 106 23.727 6.098 1.934 925 HE2 LYS 106 2HE LYS 106 24.455 3.377 0.809 926 HE3 LYS 106 1HE LYS 106 23.251 4.473 0.130 927 HZ1 LYS 106 3HZ LYS 106 25.997 4.460 -0.324 928 HZ2 LYS 106 1HZ LYS 106 25.652 5.875 0.546 929 HZ3 LYS 106 2HZ LYS 106 24.846 5.561 -0.918 930 H SER 107 H SER 107 27.246 7.282 6.183 931 HA SER 107 HA SER 107 28.703 8.315 3.942 932 HB2 SER 107 2HB SER 107 28.983 8.837 6.913 933 HB3 SER 107 1HB SER 107 29.834 9.751 5.673 934 HG SER 107 HG SER 107 27.192 9.517 5.119 Start of MODEL 4 1 H1 LYS 1 1HT LYS 1 -1.876 10.501 2.324 2 H2 LYS 1 2HT LYS 1 -0.732 9.782 3.354 3 H3 LYS 1 3HT LYS 1 -2.392 9.638 3.689 4 HA LYS 1 HA LYS 1 -0.824 8.345 1.547 5 HB2 LYS 1 2HB LYS 1 -1.251 7.389 3.940 6 HB3 LYS 1 1HB LYS 1 -2.899 7.117 3.377 7 HG2 LYS 1 2HG LYS 1 -1.797 5.925 1.351 8 HG3 LYS 1 1HG LYS 1 -0.329 5.917 2.324 9 HD2 LYS 1 2HD LYS 1 -2.995 4.680 3.074 10 HD3 LYS 1 1HD LYS 1 -1.517 3.814 2.657 11 HE2 LYS 1 2HE LYS 1 -1.548 3.784 5.024 12 HE3 LYS 1 1HE LYS 1 -0.439 5.099 4.638 13 HZ1 LYS 1 2HZ LYS 1 -1.811 6.595 5.517 14 HZ2 LYS 1 3HZ LYS 1 -2.623 5.287 6.234 15 HZ3 LYS 1 1HZ LYS 1 -3.184 5.930 4.767 16 H VAL 2 H VAL 2 -3.475 6.631 1.570 17 HA VAL 2 HA VAL 2 -4.565 7.803 -0.828 18 HB VAL 2 HB VAL 2 -5.789 5.723 1.016 19 HG11 VAL 2 1HG1 VAL 2 -6.425 6.655 -1.793 20 HG12 VAL 2 2HG1 VAL 2 -7.522 6.469 -0.425 21 HG13 VAL 2 3HG1 VAL 2 -6.880 5.045 -1.236 22 HG21 VAL 2 3HG2 VAL 2 -3.648 4.923 0.285 23 HG22 VAL 2 1HG2 VAL 2 -3.907 5.521 -1.353 24 HG23 VAL 2 2HG2 VAL 2 -4.841 4.149 -0.755 25 H LYS 3 H LYS 3 -6.958 8.429 -0.967 26 HA LYS 3 HA LYS 3 -7.522 10.692 0.586 27 HB2 LYS 3 2HB LYS 3 -9.687 8.882 -0.512 28 HB3 LYS 3 1HB LYS 3 -9.736 10.631 -0.309 29 HG2 LYS 3 2HG LYS 3 -8.040 9.073 -2.282 30 HG3 LYS 3 1HG LYS 3 -9.380 10.155 -2.654 31 HD2 LYS 3 2HD LYS 3 -7.998 11.993 -1.477 32 HD3 LYS 3 1HD LYS 3 -6.641 10.871 -1.588 33 HE2 LYS 3 2HE LYS 3 -8.272 11.955 -3.903 34 HE3 LYS 3 1HE LYS 3 -6.597 12.352 -3.519 35 HZ1 LYS 3 3HZ LYS 3 -6.934 10.624 -5.286 36 HZ2 LYS 3 1HZ LYS 3 -7.505 9.587 -4.070 37 HZ3 LYS 3 2HZ LYS 3 -5.910 10.170 -4.009 38 H PHE 4 H PHE 4 -8.787 7.372 1.096 39 HA PHE 4 HA PHE 4 -9.971 8.176 3.657 40 HB2 PHE 4 2HB PHE 4 -10.424 5.693 3.872 41 HB3 PHE 4 1HB PHE 4 -11.197 6.493 2.522 42 HD1 PHE 4 2HD PHE 4 -8.367 4.283 3.501 43 HD2 PHE 4 1HD PHE 4 -10.652 5.943 0.267 44 HE1 PHE 4 2HE PHE 4 -7.308 2.686 1.921 45 HE2 PHE 4 1HE PHE 4 -9.593 4.350 -1.311 46 HZ PHE 4 HZ PHE 4 -7.924 2.721 -0.485 47 H THR 5 H THR 5 -9.393 7.076 5.681 48 HA THR 5 HA THR 5 -6.450 6.983 5.994 49 HB THR 5 HB THR 5 -7.596 8.326 7.619 50 HG1 THR 5 1HG THR 5 -5.959 6.586 8.236 51 HG21 THR 5 3HG2 THR 5 -9.303 7.288 9.121 52 HG22 THR 5 1HG2 THR 5 -9.267 5.852 8.101 53 HG23 THR 5 2HG2 THR 5 -9.823 7.388 7.439 54 H GLU 6 H GLU 6 -5.498 5.304 7.309 55 HA GLU 6 HA GLU 6 -5.839 2.712 6.344 56 HB2 GLU 6 2HB GLU 6 -4.621 1.940 8.360 57 HB3 GLU 6 1HB GLU 6 -3.884 3.386 7.668 58 HG2 GLU 6 2HG GLU 6 -5.283 4.736 9.325 59 HG3 GLU 6 1HG GLU 6 -5.661 3.205 10.112 60 H GLU 7 H GLU 7 -7.424 4.176 9.194 61 HA GLU 7 HA GLU 7 -8.702 1.944 10.264 62 HB2 GLU 7 2HB GLU 7 -8.806 4.412 11.021 63 HB3 GLU 7 1HB GLU 7 -10.144 4.580 9.886 64 HG2 GLU 7 2HG GLU 7 -11.233 2.606 11.037 65 HG3 GLU 7 1HG GLU 7 -9.977 2.725 12.268 66 H GLU 8 H GLU 8 -9.573 3.812 7.380 67 HA GLU 8 HA GLU 8 -12.071 2.473 6.890 68 HB2 GLU 8 2HB GLU 8 -11.187 4.661 5.867 69 HB3 GLU 8 1HB GLU 8 -10.226 3.637 4.802 70 HG2 GLU 8 2HG GLU 8 -12.252 4.160 3.628 71 HG3 GLU 8 1HG GLU 8 -12.377 2.479 4.143 72 H ASP 9 H ASP 9 -8.761 2.035 5.632 73 HA ASP 9 HA ASP 9 -9.132 -0.099 3.874 74 HB2 ASP 9 2HB ASP 9 -6.919 0.890 4.282 75 HB3 ASP 9 1HB ASP 9 -6.887 0.177 5.893 76 H LEU 10 H LEU 10 -9.460 -0.111 7.335 77 HA LEU 10 HA LEU 10 -9.444 -3.028 7.585 78 HB2 LEU 10 2HB LEU 10 -10.769 -1.193 9.591 79 HB3 LEU 10 1HB LEU 10 -9.858 -2.677 9.876 80 HG LEU 10 HG LEU 10 -8.730 -0.017 8.991 81 HD11 LEU 10 1HD1 LEU 10 -7.615 -0.032 11.157 82 HD12 LEU 10 2HD1 LEU 10 -8.339 -1.595 11.536 83 HD13 LEU 10 3HD1 LEU 10 -9.360 -0.166 11.375 84 HD21 LEU 10 3HD2 LEU 10 -6.515 -1.231 9.343 85 HD22 LEU 10 1HD2 LEU 10 -7.424 -1.712 7.912 86 HD23 LEU 10 2HD2 LEU 10 -7.445 -2.729 9.352 87 H LYS 11 H LYS 11 -11.864 -0.429 7.343 88 HA LYS 11 HA LYS 11 -14.177 -2.111 7.576 89 HB2 LYS 11 2HB LYS 11 -13.626 0.588 6.345 90 HB3 LYS 11 1HB LYS 11 -15.156 -0.201 5.973 91 HG2 LYS 11 2HG LYS 11 -15.438 1.260 7.908 92 HG3 LYS 11 1HG LYS 11 -15.603 -0.420 8.413 93 HD2 LYS 11 2HD LYS 11 -13.306 -0.438 9.236 94 HD3 LYS 11 1HD LYS 11 -13.055 1.203 8.640 95 HE2 LYS 11 2HE LYS 11 -14.730 2.070 10.177 96 HE3 LYS 11 1HE LYS 11 -15.135 0.437 10.707 97 HZ1 LYS 11 3HZ LYS 11 -13.500 0.526 12.174 98 HZ2 LYS 11 1HZ LYS 11 -13.151 2.118 11.705 99 HZ3 LYS 11 2HZ LYS 11 -12.363 0.819 10.946 100 H LEU 12 H LEU 12 -12.100 -1.217 4.852 101 HA LEU 12 HA LEU 12 -13.567 -2.388 2.748 102 HB2 LEU 12 2HB LEU 12 -10.650 -1.874 3.263 103 HB3 LEU 12 1HB LEU 12 -11.069 -2.891 1.891 104 HG LEU 12 HG LEU 12 -12.558 -1.085 1.043 105 HD11 LEU 12 1HD1 LEU 12 -12.350 1.166 2.065 106 HD12 LEU 12 2HD1 LEU 12 -11.365 0.478 3.350 107 HD13 LEU 12 3HD1 LEU 12 -13.055 0.009 3.190 108 HD21 LEU 12 3HD2 LEU 12 -10.662 0.514 0.488 109 HD22 LEU 12 1HD2 LEU 12 -10.325 -1.183 0.151 110 HD23 LEU 12 2HD2 LEU 12 -9.652 -0.419 1.590 111 H GLN 13 H GLN 13 -11.182 -3.886 4.964 112 HA GLN 13 HA GLN 13 -11.191 -6.475 3.855 113 HB2 GLN 13 2HB GLN 13 -9.797 -5.682 5.814 114 HB3 GLN 13 1HB GLN 13 -11.227 -5.873 6.827 115 HG2 GLN 13 2HG GLN 13 -11.354 -8.267 6.138 116 HG3 GLN 13 1HG GLN 13 -9.858 -8.057 5.229 117 HE21 GLN 13 1HE2 GLN 13 -10.662 -6.655 8.430 118 HE22 GLN 13 2HE2 GLN 13 -9.408 -7.440 9.262 119 H GLN 14 H GLN 14 -13.568 -4.933 5.992 120 HA GLN 14 HA GLN 14 -15.170 -7.384 6.235 121 HB2 GLN 14 2HB GLN 14 -15.956 -4.536 6.854 122 HB3 GLN 14 1HB GLN 14 -16.748 -6.003 7.429 123 HG2 GLN 14 2HG GLN 14 -14.661 -6.655 8.603 124 HG3 GLN 14 1HG GLN 14 -13.905 -5.155 8.065 125 HE21 GLN 14 1HE2 GLN 14 -14.062 -5.506 10.805 126 HE22 GLN 14 2HE2 GLN 14 -15.259 -4.501 11.467 127 H LEU 15 H LEU 15 -15.792 -4.209 4.660 128 HA LEU 15 HA LEU 15 -18.201 -5.042 3.383 129 HB2 LEU 15 2HB LEU 15 -16.198 -2.841 2.882 130 HB3 LEU 15 1HB LEU 15 -17.486 -3.114 1.710 131 HG LEU 15 HG LEU 15 -19.178 -2.815 3.453 132 HD11 LEU 15 1HD1 LEU 15 -18.390 -2.003 5.723 133 HD12 LEU 15 2HD1 LEU 15 -16.766 -2.506 5.257 134 HD13 LEU 15 3HD1 LEU 15 -18.055 -3.701 5.389 135 HD21 LEU 15 3HD2 LEU 15 -17.059 -0.643 3.400 136 HD22 LEU 15 1HD2 LEU 15 -18.702 -0.415 4.001 137 HD23 LEU 15 2HD2 LEU 15 -18.430 -0.802 2.302 138 H VAL 16 H VAL 16 -14.901 -4.798 2.055 139 HA VAL 16 HA VAL 16 -15.453 -5.936 -0.469 140 HB VAL 16 HB VAL 16 -12.895 -6.282 1.123 141 HG11 VAL 16 1HG1 VAL 16 -13.446 -6.195 -1.853 142 HG12 VAL 16 2HG1 VAL 16 -13.070 -7.647 -0.926 143 HG13 VAL 16 3HG1 VAL 16 -11.861 -6.378 -1.104 144 HG21 VAL 16 3HG2 VAL 16 -13.604 -4.045 -0.795 145 HG22 VAL 16 1HG2 VAL 16 -12.173 -4.159 0.222 146 HG23 VAL 16 2HG2 VAL 16 -13.754 -3.876 0.942 147 H MET 17 H MET 17 -14.961 -7.460 2.699 148 HA MET 17 HA MET 17 -14.691 -10.133 1.626 149 HB2 MET 17 2HB MET 17 -13.925 -9.819 3.855 150 HB3 MET 17 1HB MET 17 -15.415 -9.021 4.345 151 HG2 MET 17 2HG MET 17 -16.637 -11.061 4.303 152 HG3 MET 17 1HG MET 17 -15.360 -11.895 3.419 153 HE1 MET 17 3HE MET 17 -15.001 -13.939 5.058 154 HE2 MET 17 1HE MET 17 -16.555 -13.289 5.599 155 HE3 MET 17 2HE MET 17 -15.328 -13.747 6.778 156 H ARG 18 H ARG 18 -17.385 -8.019 2.433 157 HA ARG 18 HA ARG 18 -19.404 -10.120 2.224 158 HB2 ARG 18 2HB ARG 18 -19.688 -7.972 3.529 159 HB3 ARG 18 1HB ARG 18 -19.794 -7.123 1.988 160 HG2 ARG 18 2HG ARG 18 -21.725 -8.504 1.344 161 HG3 ARG 18 1HG ARG 18 -21.614 -9.383 2.869 162 HD2 ARG 18 2HD ARG 18 -22.085 -7.361 4.130 163 HD3 ARG 18 1HD ARG 18 -22.044 -6.390 2.659 164 HE ARG 18 HE ARG 18 -24.003 -8.337 2.206 165 HH11 ARG 18 1HH2 ARG 18 -23.319 -5.845 4.490 166 HH12 ARG 18 2HH2 ARG 18 -24.985 -5.517 4.831 167 HH21 ARG 18 1HH1 ARG 18 -26.182 -7.923 2.639 168 HH22 ARG 18 2HH1 ARG 18 -26.606 -6.693 3.784 169 H TYR 19 H TYR 19 -17.969 -7.717 0.054 170 HA TYR 19 HA TYR 19 -19.778 -8.538 -2.164 171 HB2 TYR 19 2HB TYR 19 -17.546 -6.478 -2.114 172 HB3 TYR 19 1HB TYR 19 -18.729 -6.707 -3.400 173 HD1 TYR 19 2HD TYR 19 -21.254 -6.630 -2.657 174 HD2 TYR 19 1HD TYR 19 -18.023 -4.891 -0.422 175 HE1 TYR 19 2HE TYR 19 -22.861 -5.164 -1.472 176 HE2 TYR 19 1HE TYR 19 -19.634 -3.428 0.763 177 HH TYR 19 HH TYR 19 -21.929 -2.480 0.313 178 H GLY 20 H GLY 20 -16.836 -9.444 -0.812 179 HA2 GLY 20 2HA GLY 20 -15.409 -11.191 -1.561 180 HA3 GLY 20 1HA GLY 20 -16.176 -11.113 -3.149 181 H ALA 21 H ALA 21 -15.760 -8.973 -4.313 182 HA ALA 21 HA ALA 21 -13.855 -7.074 -4.013 183 HB1 ALA 21 1HB ALA 21 -11.781 -8.275 -5.183 184 HB2 ALA 21 2HB ALA 21 -12.498 -9.722 -4.475 185 HB3 ALA 21 3HB ALA 21 -11.999 -8.386 -3.441 186 H LYS 22 H LYS 22 -16.061 -7.340 -5.590 187 HA LYS 22 HA LYS 22 -14.931 -6.884 -8.292 188 HB2 LYS 22 2HB LYS 22 -16.463 -8.442 -9.381 189 HB3 LYS 22 1HB LYS 22 -15.445 -9.302 -8.227 190 HG2 LYS 22 2HG LYS 22 -17.320 -9.031 -6.534 191 HG3 LYS 22 1HG LYS 22 -18.330 -8.452 -7.859 192 HD2 LYS 22 2HD LYS 22 -17.913 -10.569 -9.083 193 HD3 LYS 22 1HD LYS 22 -16.953 -11.151 -7.723 194 HE2 LYS 22 2HE LYS 22 -19.316 -11.983 -7.682 195 HE3 LYS 22 1HE LYS 22 -18.885 -11.049 -6.250 196 HZ1 LYS 22 3HZ LYS 22 -21.056 -10.438 -7.230 197 HZ2 LYS 22 1HZ LYS 22 -20.252 -9.916 -8.628 198 HZ3 LYS 22 2HZ LYS 22 -19.966 -9.137 -7.145 199 H ASP 23 H ASP 23 -17.315 -6.209 -5.918 200 HA ASP 23 HA ASP 23 -18.983 -4.675 -7.882 201 HB2 ASP 23 2HB ASP 23 -19.660 -5.225 -4.983 202 HB3 ASP 23 1HB ASP 23 -20.744 -4.744 -6.287 203 H TRP 24 H TRP 24 -16.521 -3.626 -7.371 204 HA TRP 24 HA TRP 24 -16.331 -1.895 -5.119 205 HB2 TRP 24 2HB TRP 24 -15.118 -1.604 -7.879 206 HB3 TRP 24 1HB TRP 24 -14.600 -0.719 -6.437 207 HD1 TRP 24 HD TRP 24 -14.223 -4.018 -8.196 208 HE1 TRP 24 1HE TRP 24 -12.719 -5.565 -6.777 209 HE3 TRP 24 3HE TRP 24 -14.032 -1.304 -3.923 210 HZ2 TRP 24 2HZ TRP 24 -11.577 -5.613 -4.133 211 HZ3 TRP 24 3HZ TRP 24 -12.730 -2.078 -1.973 212 HH2 TRP 24 HH TRP 24 -11.514 -4.237 -2.061 213 H ILE 25 H ILE 25 -18.383 -1.738 -7.827 214 HA ILE 25 HA ILE 25 -18.624 1.152 -7.963 215 HB ILE 25 HB ILE 25 -20.856 0.512 -9.124 216 HG12 ILE 25 2HG1 ILE 25 -19.570 -2.235 -9.103 217 HG13 ILE 25 1HG1 ILE 25 -20.874 -1.782 -8.007 218 HG21 ILE 25 1HG2 ILE 25 -18.777 1.098 -10.338 219 HG22 ILE 25 2HG2 ILE 25 -19.680 -0.164 -11.176 220 HG23 ILE 25 3HG2 ILE 25 -18.250 -0.581 -10.231 221 HD11 ILE 25 3HD1 ILE 25 -21.734 -2.919 -10.036 222 HD12 ILE 25 1HD1 ILE 25 -21.022 -1.650 -11.032 223 HD13 ILE 25 2HD1 ILE 25 -22.329 -1.263 -9.913 224 H ARG 26 H ARG 26 -20.162 -1.459 -6.166 225 HA ARG 26 HA ARG 26 -22.210 0.267 -5.024 226 HB2 ARG 26 2HB ARG 26 -21.259 -2.538 -4.401 227 HB3 ARG 26 1HB ARG 26 -22.519 -1.738 -3.462 228 HG2 ARG 26 2HG ARG 26 -23.881 -1.459 -5.480 229 HG3 ARG 26 1HG ARG 26 -22.613 -2.199 -6.458 230 HD2 ARG 26 2HD ARG 26 -22.857 -4.305 -5.307 231 HD3 ARG 26 1HD ARG 26 -23.955 -3.590 -4.129 232 HE ARG 26 HE ARG 26 -25.121 -3.178 -6.662 233 HH11 ARG 26 1HH2 ARG 26 -24.121 -5.763 -4.610 234 HH12 ARG 26 2HH2 ARG 26 -25.325 -6.864 -5.189 235 HH21 ARG 26 1HH1 ARG 26 -26.699 -4.603 -7.429 236 HH22 ARG 26 2HH1 ARG 26 -26.785 -6.208 -6.784 237 H ILE 27 H ILE 27 -19.209 -1.260 -3.883 238 HA ILE 27 HA ILE 27 -19.242 -0.233 -1.265 239 HB ILE 27 HB ILE 27 -16.833 -0.685 -3.046 240 HG12 ILE 27 2HG1 ILE 27 -18.146 -2.521 -1.022 241 HG13 ILE 27 1HG1 ILE 27 -18.416 -2.628 -2.760 242 HG21 ILE 27 1HG2 ILE 27 -17.162 -0.400 -0.044 243 HG22 ILE 27 2HG2 ILE 27 -16.190 0.611 -1.113 244 HG23 ILE 27 3HG2 ILE 27 -15.709 -1.053 -0.799 245 HD11 ILE 27 3HD1 ILE 27 -15.877 -2.843 -3.001 246 HD12 ILE 27 1HD1 ILE 27 -16.700 -4.219 -2.272 247 HD13 ILE 27 2HD1 ILE 27 -15.830 -3.072 -1.255 248 H SER 28 H SER 28 -18.226 1.271 -4.296 249 HA SER 28 HA SER 28 -17.123 3.630 -3.001 250 HB2 SER 28 2HB SER 28 -17.987 3.080 -5.845 251 HB3 SER 28 1HB SER 28 -17.239 4.588 -5.326 252 HG SER 28 HG SER 28 -15.453 3.350 -4.613 253 H GLN 29 H GLN 29 -20.302 2.663 -4.153 254 HA GLN 29 HA GLN 29 -21.475 5.281 -4.232 255 HB2 GLN 29 2HB GLN 29 -22.603 2.506 -3.838 256 HB3 GLN 29 1HB GLN 29 -23.652 3.917 -3.742 257 HG2 GLN 29 2HG GLN 29 -21.804 3.547 -6.109 258 HG3 GLN 29 1HG GLN 29 -23.362 2.728 -6.059 259 HE21 GLN 29 1HE2 GLN 29 -22.163 5.249 -7.575 260 HE22 GLN 29 2HE2 GLN 29 -23.416 6.384 -7.431 261 H LEU 30 H LEU 30 -21.138 2.916 -1.589 262 HA LEU 30 HA LEU 30 -22.581 4.518 0.334 263 HB2 LEU 30 2HB LEU 30 -20.396 2.541 1.035 264 HB3 LEU 30 1HB LEU 30 -21.842 2.950 1.958 265 HG LEU 30 HG LEU 30 -21.751 1.455 -0.677 266 HD11 LEU 30 1HD1 LEU 30 -22.557 0.607 2.121 267 HD12 LEU 30 2HD1 LEU 30 -21.078 0.130 1.288 268 HD13 LEU 30 3HD1 LEU 30 -22.645 -0.405 0.679 269 HD21 LEU 30 3HD2 LEU 30 -24.055 2.489 1.000 270 HD22 LEU 30 1HD2 LEU 30 -24.252 1.171 -0.157 271 HD23 LEU 30 2HD2 LEU 30 -23.751 2.764 -0.717 272 H MET 31 H MET 31 -19.125 4.075 -0.386 273 HA MET 31 HA MET 31 -18.501 6.542 1.219 274 HB2 MET 31 2HB MET 31 -16.740 4.200 0.440 275 HB3 MET 31 1HB MET 31 -16.194 5.628 1.318 276 HG2 MET 31 2HG MET 31 -17.761 5.138 3.140 277 HG3 MET 31 1HG MET 31 -18.374 3.740 2.256 278 HE1 MET 31 3HE MET 31 -17.829 3.316 4.870 279 HE2 MET 31 1HE MET 31 -16.475 2.240 5.242 280 HE3 MET 31 2HE MET 31 -17.702 1.747 4.078 281 H ILE 32 H ILE 32 -19.387 7.452 -1.019 282 HA ILE 32 HA ILE 32 -17.897 7.321 -3.407 283 HB ILE 32 HB ILE 32 -18.707 9.727 -3.731 284 HG12 ILE 32 2HG1 ILE 32 -20.074 9.192 -1.076 285 HG13 ILE 32 1HG1 ILE 32 -18.637 10.202 -1.235 286 HG21 ILE 32 1HG2 ILE 32 -20.685 7.601 -2.846 287 HG22 ILE 32 2HG2 ILE 32 -20.052 7.825 -4.478 288 HG23 ILE 32 3HG2 ILE 32 -21.107 9.046 -3.766 289 HD11 ILE 32 3HD1 ILE 32 -20.690 11.567 -1.269 290 HD12 ILE 32 1HD1 ILE 32 -21.267 10.658 -2.666 291 HD13 ILE 32 2HD1 ILE 32 -19.829 11.670 -2.806 292 H THR 33 H THR 33 -16.890 8.403 -0.376 293 HA THR 33 HA THR 33 -15.203 10.568 -0.791 294 HB THR 33 HB THR 33 -13.725 9.497 0.982 295 HG1 THR 33 1HG THR 33 -15.733 7.533 1.089 296 HG21 THR 33 3HG2 THR 33 -16.723 9.639 1.387 297 HG22 THR 33 1HG2 THR 33 -15.549 10.928 1.659 298 HG23 THR 33 2HG2 THR 33 -15.559 9.509 2.706 299 H ARG 34 H ARG 34 -14.944 7.459 -2.263 300 HA ARG 34 HA ARG 34 -12.443 8.354 -3.592 301 HB2 ARG 34 2HB ARG 34 -11.096 6.512 -3.007 302 HB3 ARG 34 1HB ARG 34 -11.861 6.965 -1.494 303 HG2 ARG 34 2HG ARG 34 -12.630 4.660 -3.306 304 HG3 ARG 34 1HG ARG 34 -11.916 4.573 -1.701 305 HD2 ARG 34 2HD ARG 34 -14.669 5.626 -2.370 306 HD3 ARG 34 1HD ARG 34 -14.299 4.124 -1.539 307 HE ARG 34 HE ARG 34 -14.238 6.799 -0.350 308 HH11 ARG 34 1HH2 ARG 34 -13.103 3.544 -0.275 309 HH12 ARG 34 2HH2 ARG 34 -12.733 3.569 1.417 310 HH21 ARG 34 1HH1 ARG 34 -13.757 6.847 1.867 311 HH22 ARG 34 2HH1 ARG 34 -13.103 5.437 2.627 312 H ASN 35 H ASN 35 -11.839 6.691 -5.375 313 HA ASN 35 HA ASN 35 -14.356 6.066 -6.800 314 HB2 ASN 35 2HB ASN 35 -11.597 5.825 -7.992 315 HB3 ASN 35 1HB ASN 35 -13.116 6.202 -8.800 316 HD21 ASN 35 1HD2 ASN 35 -10.701 7.854 -8.941 317 HD22 ASN 35 2HD2 ASN 35 -11.088 9.353 -8.244 318 HA PRO 36 HA PRO 36 -14.344 1.643 -6.322 319 HB2 PRO 36 2HB PRO 36 -14.064 1.581 -9.328 320 HB3 PRO 36 1HB PRO 36 -15.146 0.642 -8.287 321 HG2 PRO 36 2HG PRO 36 -16.064 2.733 -9.628 322 HG3 PRO 36 1HG PRO 36 -16.608 2.408 -7.970 323 HD2 PRO 36 2HD PRO 36 -14.758 4.540 -8.947 324 HD3 PRO 36 1HD PRO 36 -15.830 4.531 -7.529 325 H ARG 37 H ARG 37 -12.060 2.907 -8.734 326 HA ARG 37 HA ARG 37 -10.232 0.693 -8.571 327 HB2 ARG 37 2HB ARG 37 -9.687 3.542 -9.449 328 HB3 ARG 37 1HB ARG 37 -8.707 2.126 -9.829 329 HG2 ARG 37 2HG ARG 37 -10.694 1.122 -10.974 330 HG3 ARG 37 1HG ARG 37 -11.567 2.629 -10.698 331 HD2 ARG 37 2HD ARG 37 -9.113 2.185 -12.404 332 HD3 ARG 37 1HD ARG 37 -10.681 2.823 -12.899 333 HE ARG 37 HE ARG 37 -8.524 4.365 -11.740 334 HH11 ARG 37 1HH2 ARG 37 -11.945 3.957 -11.910 335 HH12 ARG 37 2HH2 ARG 37 -12.293 5.621 -11.576 336 HH21 ARG 37 1HH1 ARG 37 -8.960 6.538 -11.303 337 HH22 ARG 37 2HH1 ARG 37 -10.603 7.082 -11.232 338 H GLN 38 H GLN 38 -10.624 3.641 -6.700 339 HA GLN 38 HA GLN 38 -7.992 3.662 -5.555 340 HB2 GLN 38 2HB GLN 38 -10.618 4.786 -4.562 341 HB3 GLN 38 1HB GLN 38 -9.081 5.047 -3.742 342 HG2 GLN 38 2HG GLN 38 -8.147 6.034 -5.808 343 HG3 GLN 38 1HG GLN 38 -9.694 5.798 -6.614 344 HE21 GLN 38 1HE2 GLN 38 -8.546 7.233 -3.497 345 HE22 GLN 38 2HE2 GLN 38 -9.541 8.604 -3.601 346 H CYS 39 H CYS 39 -11.063 2.140 -4.409 347 HA CYS 39 HA CYS 39 -9.739 1.128 -2.013 348 HB2 CYS 39 2HB CYS 39 -12.214 -0.064 -3.250 349 HB3 CYS 39 1HB CYS 39 -11.779 0.034 -1.549 350 HG CYS 39 HG CYS 39 -13.090 2.122 -1.506 351 H ARG 40 H ARG 40 -10.370 -0.010 -5.281 352 HA ARG 40 HA ARG 40 -9.797 -2.749 -4.932 353 HB2 ARG 40 2HB ARG 40 -10.678 -1.822 -7.033 354 HB3 ARG 40 1HB ARG 40 -9.155 -0.983 -7.310 355 HG2 ARG 40 2HG ARG 40 -9.275 -3.075 -8.624 356 HG3 ARG 40 1HG ARG 40 -7.966 -3.145 -7.453 357 HD2 ARG 40 2HD ARG 40 -9.112 -4.678 -6.084 358 HD3 ARG 40 1HD ARG 40 -10.691 -4.222 -6.726 359 HE ARG 40 HE ARG 40 -10.377 -5.831 -8.409 360 HH11 ARG 40 1HH2 ARG 40 -7.380 -4.833 -7.023 361 HH12 ARG 40 2HH2 ARG 40 -6.434 -5.971 -7.923 362 HH21 ARG 40 1HH1 ARG 40 -9.157 -7.322 -9.590 363 HH22 ARG 40 2HH1 ARG 40 -7.439 -7.380 -9.375 364 H GLU 41 H GLU 41 -7.516 -0.105 -5.724 365 HA GLU 41 HA GLU 41 -5.207 -1.767 -5.818 366 HB2 GLU 41 2HB GLU 41 -3.924 0.351 -5.357 367 HB3 GLU 41 1HB GLU 41 -5.055 0.467 -6.704 368 HG2 GLU 41 2HG GLU 41 -6.645 1.668 -5.389 369 HG3 GLU 41 1HG GLU 41 -5.789 1.315 -3.891 370 H ARG 42 H ARG 42 -7.038 -0.541 -3.137 371 HA ARG 42 HA ARG 42 -4.915 -0.884 -1.176 372 HB2 ARG 42 2HB ARG 42 -7.106 0.576 -1.072 373 HB3 ARG 42 1HB ARG 42 -7.858 -0.902 -0.500 374 HG2 ARG 42 2HG ARG 42 -7.197 0.176 1.494 375 HG3 ARG 42 1HG ARG 42 -5.926 -1.006 1.223 376 HD2 ARG 42 2HD ARG 42 -5.587 1.791 0.134 377 HD3 ARG 42 1HD ARG 42 -5.279 1.475 1.836 378 HE ARG 42 HE ARG 42 -3.867 -0.487 0.381 379 HH11 ARG 42 1HH2 ARG 42 -4.003 2.933 0.792 380 HH12 ARG 42 2HH2 ARG 42 -2.318 3.172 0.474 381 HH21 ARG 42 1HH1 ARG 42 -1.666 -0.195 -0.035 382 HH22 ARG 42 2HH1 ARG 42 -0.994 1.401 0.006 383 H TRP 43 H TRP 43 -7.729 -2.791 -2.190 384 HA TRP 43 HA TRP 43 -7.679 -4.912 -0.404 385 HB2 TRP 43 2HB TRP 43 -9.231 -4.504 -2.374 386 HB3 TRP 43 1HB TRP 43 -7.989 -5.192 -3.401 387 HD1 TRP 43 HD TRP 43 -9.292 -6.464 0.027 388 HE1 TRP 43 1HE TRP 43 -10.074 -8.894 -0.271 389 HE3 TRP 43 3HE TRP 43 -8.544 -7.009 -4.990 390 HZ2 TRP 43 2HZ TRP 43 -10.352 -10.821 -2.363 391 HZ3 TRP 43 3HZ TRP 43 -9.079 -9.153 -6.111 392 HH2 TRP 43 HH TRP 43 -9.981 -11.057 -4.806 393 H ASN 44 H ASN 44 -5.940 -4.881 -3.499 394 HA ASN 44 HA ASN 44 -4.407 -7.236 -2.872 395 HB2 ASN 44 2HB ASN 44 -3.013 -6.470 -4.874 396 HB3 ASN 44 1HB ASN 44 -4.728 -6.743 -5.174 397 HD21 ASN 44 1HD2 ASN 44 -5.499 -5.128 -6.527 398 HD22 ASN 44 2HD2 ASN 44 -5.093 -3.484 -6.414 399 H ASN 45 H ASN 45 -3.617 -3.762 -2.667 400 HA ASN 45 HA ASN 45 -0.885 -4.398 -1.746 401 HB2 ASN 45 2HB ASN 45 -2.348 -1.745 -1.948 402 HB3 ASN 45 1HB ASN 45 -0.629 -1.948 -1.611 403 HD21 ASN 45 1HD2 ASN 45 -2.708 -1.262 -4.114 404 HD22 ASN 45 2HD2 ASN 45 -1.785 -1.845 -5.414 405 H TYR 46 H TYR 46 -3.558 -4.927 -0.101 406 HA TYR 46 HA TYR 46 -2.265 -4.159 2.447 407 HB2 TYR 46 2HB TYR 46 -4.058 -2.387 1.433 408 HB3 TYR 46 1HB TYR 46 -5.159 -3.413 2.343 409 HD1 TYR 46 2HD TYR 46 -3.277 -4.224 4.593 410 HD2 TYR 46 1HD TYR 46 -4.031 -0.408 2.769 411 HE1 TYR 46 2HE TYR 46 -2.598 -3.090 6.685 412 HE2 TYR 46 1HE TYR 46 -3.351 0.724 4.865 413 HH TYR 46 HH TYR 46 -2.774 0.452 6.997 414 H ILE 47 H ILE 47 -5.391 -5.475 1.216 415 HA ILE 47 HA ILE 47 -4.826 -7.939 2.768 416 HB ILE 47 HB ILE 47 -6.755 -7.945 4.089 417 HG12 ILE 47 2HG1 ILE 47 -8.430 -7.258 2.341 418 HG13 ILE 47 1HG1 ILE 47 -8.679 -6.494 3.891 419 HG21 ILE 47 1HG2 ILE 47 -5.143 -6.325 4.920 420 HG22 ILE 47 2HG2 ILE 47 -6.781 -5.788 5.283 421 HG23 ILE 47 3HG2 ILE 47 -5.884 -5.044 3.964 422 HD11 ILE 47 3HD1 ILE 47 -8.821 -4.996 1.793 423 HD12 ILE 47 1HD1 ILE 47 -7.071 -5.099 1.776 424 HD13 ILE 47 2HD1 ILE 47 -7.885 -4.414 3.165 425 H ASN 48 H ASN 48 -5.118 -9.590 1.542 426 HA ASN 48 HA ASN 48 -7.400 -10.259 0.031 427 HB2 ASN 48 2HB ASN 48 -7.123 -9.218 -1.988 428 HB3 ASN 48 1HB ASN 48 -5.731 -8.396 -1.343 429 HD21 ASN 48 1HD2 ASN 48 -3.744 -8.855 -2.333 430 HD22 ASN 48 2HD2 ASN 48 -3.471 -10.176 -3.363 431 HA PRO 49 HA PRO 49 -3.981 -13.459 -0.527 432 HB2 PRO 49 2HB PRO 49 -1.373 -12.760 -0.547 433 HB3 PRO 49 1HB PRO 49 -2.450 -12.326 -1.889 434 HG2 PRO 49 2HG PRO 49 -1.272 -10.578 0.183 435 HG3 PRO 49 1HG PRO 49 -1.909 -10.152 -1.414 436 HD2 PRO 49 2HD PRO 49 -3.281 -10.019 1.186 437 HD3 PRO 49 1HD PRO 49 -3.826 -9.403 -0.384 438 H ALA 50 H ALA 50 -1.308 -12.193 1.225 439 HA ALA 50 HA ALA 50 -2.095 -12.713 3.921 440 HB1 ALA 50 1HB ALA 50 -2.284 -15.041 3.365 441 HB2 ALA 50 2HB ALA 50 -0.727 -14.869 4.175 442 HB3 ALA 50 3HB ALA 50 -0.797 -15.004 2.418 443 H LEU 51 H LEU 51 -0.513 -10.951 2.199 444 HA LEU 51 HA LEU 51 2.287 -11.337 2.634 445 HB2 LEU 51 2HB LEU 51 2.430 -8.856 2.111 446 HB3 LEU 51 1HB LEU 51 1.647 -9.853 0.894 447 HG LEU 51 HG LEU 51 -0.588 -9.207 1.961 448 HD11 LEU 51 1HD1 LEU 51 -0.336 -6.879 3.179 449 HD12 LEU 51 2HD1 LEU 51 1.268 -7.483 3.584 450 HD13 LEU 51 3HD1 LEU 51 -0.168 -8.374 4.089 451 HD21 LEU 51 3HD2 LEU 51 0.416 -8.165 -0.124 452 HD22 LEU 51 1HD2 LEU 51 1.009 -6.867 0.911 453 HD23 LEU 51 2HD2 LEU 51 -0.723 -7.143 0.745 454 H ARG 52 H ARG 52 0.327 -11.333 5.064 455 HA ARG 52 HA ARG 52 0.895 -9.157 6.761 456 HB2 ARG 52 2HB ARG 52 0.639 -12.083 7.530 457 HB3 ARG 52 1HB ARG 52 0.468 -10.714 8.628 458 HG2 ARG 52 2HG ARG 52 -1.415 -9.873 7.211 459 HG3 ARG 52 1HG ARG 52 -1.294 -11.344 6.243 460 HD2 ARG 52 2HD ARG 52 -1.846 -11.244 9.224 461 HD3 ARG 52 1HD ARG 52 -3.045 -11.563 7.971 462 HE ARG 52 HE ARG 52 -1.121 -13.475 9.002 463 HH11 ARG 52 1HH2 ARG 52 -2.907 -12.420 6.247 464 HH12 ARG 52 2HH2 ARG 52 -2.920 -13.981 5.494 465 HH21 ARG 52 1HH1 ARG 52 -1.129 -15.517 8.035 466 HH22 ARG 52 2HH1 ARG 52 -1.914 -15.733 6.505 467 H THR 53 H THR 53 3.035 -11.420 5.424 468 HA THR 53 HA THR 53 5.281 -10.304 6.948 469 HB THR 53 HB THR 53 4.815 -13.297 7.043 470 HG1 THR 53 1HG THR 53 4.105 -11.217 8.782 471 HG21 THR 53 3HG2 THR 53 6.761 -11.436 8.435 472 HG22 THR 53 1HG2 THR 53 7.155 -12.616 7.184 473 HG23 THR 53 2HG2 THR 53 6.606 -13.161 8.769 474 H ASP 54 H ASP 54 5.311 -9.717 4.508 475 HA ASP 54 HA ASP 54 6.972 -11.751 3.045 476 HB2 ASP 54 2HB ASP 54 4.601 -11.580 2.164 477 HB3 ASP 54 1HB ASP 54 4.954 -9.903 1.752 478 HA PRO 55 HA PRO 55 8.924 -7.503 3.356 479 HB2 PRO 55 2HB PRO 55 11.312 -8.244 4.443 480 HB3 PRO 55 1HB PRO 55 9.863 -7.976 5.438 481 HG2 PRO 55 2HG PRO 55 10.987 -10.552 4.404 482 HG3 PRO 55 1HG PRO 55 10.424 -10.154 6.040 483 HD2 PRO 55 2HD PRO 55 8.859 -11.506 4.281 484 HD3 PRO 55 1HD PRO 55 8.163 -10.371 5.459 485 H TRP 56 H TRP 56 10.095 -6.695 1.682 486 HA TRP 56 HA TRP 56 10.996 -8.488 -0.421 487 HB2 TRP 56 2HB TRP 56 11.941 -6.117 -1.295 488 HB3 TRP 56 1HB TRP 56 10.245 -6.552 -1.425 489 HD1 TRP 56 HD TRP 56 8.577 -5.535 0.443 490 HE1 TRP 56 1HE TRP 56 8.677 -3.304 1.726 491 HE3 TRP 56 3HE TRP 56 13.513 -4.419 -0.180 492 HZ2 TRP 56 2HZ TRP 56 10.614 -1.299 2.381 493 HZ3 TRP 56 3HZ TRP 56 14.450 -2.343 0.764 494 HH2 TRP 56 HH TRP 56 13.016 -0.782 2.052 495 H SER 57 H SER 57 13.327 -7.456 -1.392 496 HA SER 57 HA SER 57 15.328 -7.801 0.818 497 HB2 SER 57 2HB SER 57 16.088 -8.965 -1.802 498 HB3 SER 57 1HB SER 57 16.192 -9.677 -0.191 499 HG SER 57 HG SER 57 14.111 -9.696 -2.052 500 HA PRO 58 HA PRO 58 17.941 -4.589 -0.723 501 HB2 PRO 58 2HB PRO 58 19.694 -6.579 -2.153 502 HB3 PRO 58 1HB PRO 58 20.166 -5.212 -1.115 503 HG2 PRO 58 2HG PRO 58 20.210 -7.636 -0.118 504 HG3 PRO 58 1HG PRO 58 19.502 -6.318 0.840 505 HD2 PRO 58 2HD PRO 58 18.102 -8.481 -0.707 506 HD3 PRO 58 1HD PRO 58 17.677 -7.789 0.876 507 H GLU 59 H GLU 59 16.600 -6.751 -3.027 508 HA GLU 59 HA GLU 59 17.386 -5.415 -5.436 509 HB2 GLU 59 2HB GLU 59 14.947 -7.134 -4.874 510 HB3 GLU 59 1HB GLU 59 15.543 -6.689 -6.473 511 HG2 GLU 59 2HG GLU 59 17.210 -8.181 -4.432 512 HG3 GLU 59 1HG GLU 59 16.269 -8.982 -5.690 513 H GLU 60 H GLU 60 14.418 -5.283 -3.416 514 HA GLU 60 HA GLU 60 13.336 -3.097 -5.009 515 HB2 GLU 60 2HB GLU 60 12.571 -4.053 -2.244 516 HB3 GLU 60 1HB GLU 60 11.637 -2.942 -3.234 517 HG2 GLU 60 2HG GLU 60 12.373 -5.758 -4.077 518 HG3 GLU 60 1HG GLU 60 10.825 -5.315 -3.359 519 H ASP 61 H ASP 61 15.483 -3.425 -2.281 520 HA ASP 61 HA ASP 61 15.243 -0.758 -1.248 521 HB2 ASP 61 2HB ASP 61 16.514 -2.784 -0.229 522 HB3 ASP 61 1HB ASP 61 17.839 -2.318 -1.290 523 H MET 62 H MET 62 17.646 -2.180 -3.478 524 HA MET 62 HA MET 62 18.850 0.298 -4.206 525 HB2 MET 62 2HB MET 62 18.653 -2.301 -5.760 526 HB3 MET 62 1HB MET 62 19.732 -0.965 -6.162 527 HG2 MET 62 2HG MET 62 20.945 -1.213 -4.104 528 HG3 MET 62 1HG MET 62 19.752 -2.345 -3.467 529 HE1 MET 62 3HE MET 62 22.806 -2.945 -6.795 530 HE2 MET 62 1HE MET 62 22.102 -1.448 -6.167 531 HE3 MET 62 2HE MET 62 21.198 -2.440 -7.309 532 H LEU 63 H LEU 63 16.156 -1.564 -5.635 533 HA LEU 63 HA LEU 63 15.817 0.376 -7.807 534 HB2 LEU 63 2HB LEU 63 14.358 -2.056 -6.843 535 HB3 LEU 63 1HB LEU 63 13.420 -0.906 -7.784 536 HG LEU 63 HG LEU 63 15.135 -1.024 -9.587 537 HD11 LEU 63 1HD1 LEU 63 16.840 -2.795 -9.498 538 HD12 LEU 63 2HD1 LEU 63 16.310 -3.238 -7.877 539 HD13 LEU 63 3HD1 LEU 63 17.060 -1.668 -8.161 540 HD21 LEU 63 3HD2 LEU 63 13.132 -2.498 -9.600 541 HD22 LEU 63 1HD2 LEU 63 14.052 -3.727 -8.733 542 HD23 LEU 63 2HD2 LEU 63 14.521 -3.266 -10.369 543 H LEU 64 H LEU 64 14.727 0.113 -4.506 544 HA LEU 64 HA LEU 64 12.472 1.898 -4.728 545 HB2 LEU 64 2HB LEU 64 12.548 0.590 -2.753 546 HB3 LEU 64 1HB LEU 64 14.223 1.012 -2.425 547 HG LEU 64 HG LEU 64 12.306 3.318 -2.485 548 HD11 LEU 64 1HD1 LEU 64 10.879 1.772 -1.317 549 HD12 LEU 64 2HD1 LEU 64 11.598 2.837 -0.109 550 HD13 LEU 64 3HD1 LEU 64 12.218 1.200 -0.323 551 HD21 LEU 64 3HD2 LEU 64 13.623 3.977 -0.473 552 HD22 LEU 64 1HD2 LEU 64 14.669 3.650 -1.852 553 HD23 LEU 64 2HD2 LEU 64 14.506 2.455 -0.569 554 H ASP 65 H ASP 65 15.919 2.397 -3.920 555 HA ASP 65 HA ASP 65 15.874 5.151 -3.393 556 HB2 ASP 65 2HB ASP 65 17.919 3.492 -4.894 557 HB3 ASP 65 1HB ASP 65 18.192 5.173 -4.433 558 H GLN 66 H GLN 66 15.662 3.456 -6.473 559 HA GLN 66 HA GLN 66 15.793 5.906 -8.068 560 HB2 GLN 66 2HB GLN 66 14.932 3.094 -8.808 561 HB3 GLN 66 1HB GLN 66 15.206 4.409 -9.952 562 HG2 GLN 66 2HG GLN 66 17.545 4.552 -9.307 563 HG3 GLN 66 1HG GLN 66 17.303 3.354 -8.035 564 HE21 GLN 66 1HE2 GLN 66 18.502 1.577 -8.820 565 HE22 GLN 66 2HE2 GLN 66 18.244 0.855 -10.334 566 H LYS 67 H LYS 67 13.192 3.611 -7.169 567 HA LYS 67 HA LYS 67 11.116 5.120 -8.478 568 HB2 LYS 67 2HB LYS 67 10.989 3.107 -6.214 569 HB3 LYS 67 1HB LYS 67 9.578 3.737 -7.063 570 HG2 LYS 67 2HG LYS 67 10.483 2.876 -9.198 571 HG3 LYS 67 1HG LYS 67 11.877 2.223 -8.335 572 HD2 LYS 67 2HD LYS 67 10.423 0.765 -7.019 573 HD3 LYS 67 1HD LYS 67 8.994 1.461 -7.784 574 HE2 LYS 67 2HE LYS 67 9.633 0.582 -9.939 575 HE3 LYS 67 1HE LYS 67 11.202 0.067 -9.320 576 HZ1 LYS 67 3HZ LYS 67 10.330 -1.776 -8.457 577 HZ2 LYS 67 1HZ LYS 67 8.979 -1.472 -9.436 578 HZ3 LYS 67 2HZ LYS 67 8.983 -0.963 -7.815 579 H TYR 68 H TYR 68 11.927 4.832 -5.001 580 HA TYR 68 HA TYR 68 10.128 6.737 -4.000 581 HB2 TYR 68 2HB TYR 68 11.353 5.476 -2.402 582 HB3 TYR 68 1HB TYR 68 12.900 5.908 -3.121 583 HD1 TYR 68 2HD TYR 68 13.762 8.252 -2.919 584 HD2 TYR 68 1HD TYR 68 10.315 6.887 -0.751 585 HE1 TYR 68 2HE TYR 68 13.964 10.186 -1.388 586 HE2 TYR 68 1HE TYR 68 10.516 8.823 0.782 587 HH TYR 68 HH TYR 68 12.551 10.373 1.533 588 H ALA 69 H ALA 69 13.413 7.256 -5.268 589 HA ALA 69 HA ALA 69 13.675 10.010 -4.864 590 HB1 ALA 69 1HB ALA 69 15.515 8.786 -5.803 591 HB2 ALA 69 2HB ALA 69 15.027 9.952 -7.032 592 HB3 ALA 69 3HB ALA 69 14.547 8.261 -7.180 593 H GLU 70 H GLU 70 11.721 8.278 -7.207 594 HA GLU 70 HA GLU 70 10.896 10.779 -8.571 595 HB2 GLU 70 2HB GLU 70 10.372 7.834 -9.037 596 HB3 GLU 70 1HB GLU 70 9.539 9.095 -9.946 597 HG2 GLU 70 2HG GLU 70 11.718 9.996 -10.689 598 HG3 GLU 70 1HG GLU 70 12.545 8.724 -9.791 599 H TYR 71 H TYR 71 9.261 7.983 -7.037 600 HA TYR 71 HA TYR 71 6.784 9.507 -6.732 601 HB2 TYR 71 2HB TYR 71 7.519 6.766 -5.685 602 HB3 TYR 71 1HB TYR 71 5.897 7.447 -5.778 603 HD1 TYR 71 2HD TYR 71 4.889 7.996 -8.010 604 HD2 TYR 71 1HD TYR 71 8.565 5.807 -7.628 605 HE1 TYR 71 2HE TYR 71 4.669 7.216 -10.353 606 HE2 TYR 71 1HE TYR 71 8.345 5.028 -9.971 607 HH TYR 71 HH TYR 71 6.142 6.395 -12.162 608 H GLY 72 H GLY 72 9.276 8.243 -4.534 609 HA2 GLY 72 2HA GLY 72 9.938 9.368 -2.497 610 HA3 GLY 72 1HA GLY 72 8.406 10.237 -2.507 611 HA PRO 73 HA PRO 73 7.825 6.679 0.361 612 HB2 PRO 73 2HB PRO 73 6.430 7.940 2.325 613 HB3 PRO 73 1HB PRO 73 8.197 8.073 2.195 614 HG2 PRO 73 2HG PRO 73 6.090 10.019 1.350 615 HG3 PRO 73 1HG PRO 73 7.660 10.324 2.119 616 HD2 PRO 73 2HD PRO 73 7.183 10.597 -0.607 617 HD3 PRO 73 1HD PRO 73 8.794 10.308 0.089 618 H LYS 74 H LYS 74 6.164 7.589 -1.998 619 HA LYS 74 HA LYS 74 3.378 7.248 -1.079 620 HB2 LYS 74 2HB LYS 74 4.697 7.580 -3.778 621 HB3 LYS 74 1HB LYS 74 2.973 7.257 -3.612 622 HG2 LYS 74 2HG LYS 74 2.693 9.279 -2.262 623 HG3 LYS 74 1HG LYS 74 4.430 9.586 -2.327 624 HD2 LYS 74 2HD LYS 74 4.327 9.857 -4.755 625 HD3 LYS 74 1HD LYS 74 2.608 9.459 -4.747 626 HE2 LYS 74 2HE LYS 74 2.839 11.876 -4.839 627 HE3 LYS 74 1HE LYS 74 2.213 11.431 -3.252 628 HZ1 LYS 74 3HZ LYS 74 4.280 11.770 -2.261 629 HZ2 LYS 74 1HZ LYS 74 4.124 13.077 -3.330 630 HZ3 LYS 74 2HZ LYS 74 5.110 11.756 -3.744 631 H TRP 75 H TRP 75 4.123 5.103 -0.100 632 HA TRP 75 HA TRP 75 4.882 2.876 -1.637 633 HB2 TRP 75 2HB TRP 75 3.026 2.638 0.724 634 HB3 TRP 75 1HB TRP 75 4.357 1.581 0.264 635 HD1 TRP 75 HD TRP 75 3.591 3.994 2.767 636 HE1 TRP 75 1HE TRP 75 5.692 5.109 3.748 637 HE3 TRP 75 3HE TRP 75 7.036 2.754 -0.814 638 HZ2 TRP 75 2HZ TRP 75 8.447 5.456 3.104 639 HZ3 TRP 75 3HZ TRP 75 9.379 3.500 -0.601 640 HH2 TRP 75 HH TRP 75 10.093 4.849 1.351 641 H ASN 76 H ASN 76 2.137 4.674 -1.930 642 HA ASN 76 HA ASN 76 0.194 2.601 -2.476 643 HB2 ASN 76 2HB ASN 76 0.340 5.532 -3.237 644 HB3 ASN 76 1HB ASN 76 -1.050 4.502 -3.578 645 HD21 ASN 76 1HD2 ASN 76 0.829 5.984 -0.947 646 HD22 ASN 76 2HD2 ASN 76 -0.349 5.755 0.252 647 H LYS 77 H LYS 77 2.524 4.463 -4.374 648 HA LYS 77 HA LYS 77 1.664 3.210 -6.907 649 HB2 LYS 77 2HB LYS 77 3.783 5.222 -6.125 650 HB3 LYS 77 1HB LYS 77 3.789 4.484 -7.726 651 HG2 LYS 77 2HG LYS 77 2.573 6.672 -7.652 652 HG3 LYS 77 1HG LYS 77 1.559 5.332 -8.186 653 HD2 LYS 77 2HD LYS 77 0.462 5.183 -6.071 654 HD3 LYS 77 1HD LYS 77 1.659 6.220 -5.294 655 HE2 LYS 77 2HE LYS 77 -0.521 7.376 -5.817 656 HE3 LYS 77 1HE LYS 77 0.894 8.147 -6.536 657 HZ1 LYS 77 3HZ LYS 77 0.421 6.896 -8.590 658 HZ2 LYS 77 1HZ LYS 77 -0.821 7.974 -8.175 659 HZ3 LYS 77 2HZ LYS 77 -1.010 6.311 -7.884 660 H ILE 78 H ILE 78 4.348 3.050 -4.598 661 HA ILE 78 HA ILE 78 5.976 1.238 -6.085 662 HB ILE 78 HB ILE 78 5.777 1.275 -3.066 663 HG12 ILE 78 2HG1 ILE 78 5.824 3.600 -3.676 664 HG13 ILE 78 1HG1 ILE 78 7.457 3.163 -3.192 665 HG21 ILE 78 1HG2 ILE 78 8.150 0.994 -4.934 666 HG22 ILE 78 2HG2 ILE 78 7.294 -0.364 -4.203 667 HG23 ILE 78 3HG2 ILE 78 8.156 0.788 -3.182 668 HD11 ILE 78 3HD1 ILE 78 7.913 2.745 -5.684 669 HD12 ILE 78 1HD1 ILE 78 7.710 4.427 -5.193 670 HD13 ILE 78 2HD1 ILE 78 6.386 3.576 -5.988 671 H SER 79 H SER 79 3.667 0.581 -3.419 672 HA SER 79 HA SER 79 3.781 -2.214 -3.434 673 HB2 SER 79 2HB SER 79 1.229 -0.608 -3.175 674 HB3 SER 79 1HB SER 79 1.533 -2.218 -2.530 675 HG SER 79 HG SER 79 2.337 -1.258 -0.857 676 H LYS 80 H LYS 80 2.378 -0.134 -5.875 677 HA LYS 80 HA LYS 80 0.871 -2.319 -7.138 678 HB2 LYS 80 2HB LYS 80 1.514 0.527 -7.953 679 HB3 LYS 80 1HB LYS 80 0.681 -0.586 -9.034 680 HG2 LYS 80 2HG LYS 80 -1.000 -0.960 -7.132 681 HG3 LYS 80 1HG LYS 80 -0.252 0.417 -6.330 682 HD2 LYS 80 2HD LYS 80 -1.334 0.575 -9.158 683 HD3 LYS 80 1HD LYS 80 -2.325 0.916 -7.746 684 HE2 LYS 80 2HE LYS 80 -0.630 2.635 -7.046 685 HE3 LYS 80 1HE LYS 80 0.200 2.370 -8.580 686 HZ1 LYS 80 3HZ LYS 80 -1.364 3.473 -9.710 687 HZ2 LYS 80 1HZ LYS 80 -1.759 4.156 -8.209 688 HZ3 LYS 80 2HZ LYS 80 -2.644 2.831 -8.797 689 H PHE 81 H PHE 81 4.090 -1.077 -7.209 690 HA PHE 81 HA PHE 81 4.719 -2.265 -9.833 691 HB2 PHE 81 2HB PHE 81 6.208 -0.689 -7.742 692 HB3 PHE 81 1HB PHE 81 7.150 -1.657 -8.873 693 HD1 PHE 81 2HD PHE 81 6.521 -1.408 -11.410 694 HD2 PHE 81 1HD PHE 81 5.543 1.492 -8.395 695 HE1 PHE 81 2HE PHE 81 6.266 0.328 -13.160 696 HE2 PHE 81 1HE PHE 81 5.286 3.226 -10.147 697 HZ PHE 81 HZ PHE 81 5.649 2.644 -12.529 698 H LEU 82 H LEU 82 4.443 -3.261 -6.601 699 HA LEU 82 HA LEU 82 6.282 -5.597 -6.963 700 HB2 LEU 82 2HB LEU 82 4.748 -4.826 -4.467 701 HB3 LEU 82 1HB LEU 82 6.148 -5.890 -4.591 702 HG LEU 82 HG LEU 82 6.193 -2.930 -5.249 703 HD11 LEU 82 1HD1 LEU 82 5.778 -3.472 -2.827 704 HD12 LEU 82 2HD1 LEU 82 7.261 -2.575 -3.140 705 HD13 LEU 82 3HD1 LEU 82 7.330 -4.302 -2.819 706 HD21 LEU 82 3HD2 LEU 82 8.711 -3.364 -5.003 707 HD22 LEU 82 1HD2 LEU 82 7.948 -4.029 -6.445 708 HD23 LEU 82 2HD2 LEU 82 8.316 -5.081 -5.078 709 H LYS 83 H LYS 83 2.990 -4.986 -5.678 710 HA LYS 83 HA LYS 83 1.025 -6.212 -5.944 711 HB2 LYS 83 2HB LYS 83 2.270 -6.442 -8.391 712 HB3 LYS 83 1HB LYS 83 2.181 -8.133 -7.927 713 HG2 LYS 83 2HG LYS 83 0.138 -7.801 -9.059 714 HG3 LYS 83 1HG LYS 83 -0.320 -7.619 -7.368 715 HD2 LYS 83 2HD LYS 83 -1.334 -5.727 -8.311 716 HD3 LYS 83 1HD LYS 83 0.206 -5.052 -7.794 717 HE2 LYS 83 2HE LYS 83 -0.004 -4.275 -10.006 718 HE3 LYS 83 1HE LYS 83 1.024 -5.692 -10.196 719 HZ1 LYS 83 3HZ LYS 83 -0.552 -6.778 -11.314 720 HZ2 LYS 83 1HZ LYS 83 -1.280 -5.261 -11.526 721 HZ3 LYS 83 2HZ LYS 83 -1.791 -6.279 -10.265 722 H ASN 84 H ASN 84 3.708 -7.048 -4.551 723 HA ASN 84 HA ASN 84 2.736 -9.743 -3.679 724 HB2 ASN 84 2HB ASN 84 5.586 -8.802 -4.087 725 HB3 ASN 84 1HB ASN 84 5.142 -10.320 -3.309 726 HD21 ASN 84 1HD2 ASN 84 4.061 -8.607 -6.307 727 HD22 ASN 84 2HD2 ASN 84 4.206 -9.971 -7.307 728 H ARG 85 H ARG 85 3.602 -6.556 -2.836 729 HA ARG 85 HA ARG 85 3.510 -7.279 0.087 730 HB2 ARG 85 2HB ARG 85 5.402 -5.384 -1.334 731 HB3 ARG 85 1HB ARG 85 5.100 -5.294 0.398 732 HG2 ARG 85 2HG ARG 85 6.722 -6.878 0.691 733 HG3 ARG 85 1HG ARG 85 5.662 -8.048 -0.068 734 HD2 ARG 85 2HD ARG 85 6.604 -7.549 -2.263 735 HD3 ARG 85 1HD ARG 85 7.594 -6.266 -1.574 736 HE ARG 85 HE ARG 85 9.080 -7.906 -0.736 737 HH11 ARG 85 1HH2 ARG 85 6.089 -9.249 -1.802 738 HH12 ARG 85 2HH2 ARG 85 6.622 -10.891 -1.657 739 HH21 ARG 85 1HH1 ARG 85 9.793 -10.039 -0.540 740 HH22 ARG 85 2HH1 ARG 85 8.719 -11.338 -0.941 741 H SER 86 H SER 86 3.016 -5.288 1.401 742 HA SER 86 HA SER 86 0.939 -3.620 0.035 743 HB2 SER 86 2HB SER 86 -0.271 -4.964 1.534 744 HB3 SER 86 1HB SER 86 1.040 -5.002 2.707 745 HG SER 86 HG SER 86 0.575 -2.925 3.287 746 H ASP 87 H ASP 87 0.662 -1.512 1.065 747 HA ASP 87 HA ASP 87 3.106 -0.122 1.344 748 HB2 ASP 87 2HB ASP 87 1.615 1.711 2.364 749 HB3 ASP 87 1HB ASP 87 1.176 1.159 0.746 750 H ASN 88 H ASN 88 0.979 -1.597 3.709 751 HA ASN 88 HA ASN 88 2.214 -0.531 6.059 752 HB2 ASN 88 2HB ASN 88 0.033 -1.733 6.070 753 HB3 ASN 88 1HB ASN 88 0.880 -3.234 5.695 754 HD21 ASN 88 1HD2 ASN 88 1.320 -0.539 8.072 755 HD22 ASN 88 2HD2 ASN 88 1.589 -1.564 9.398 756 H ASN 89 H ASN 89 3.080 -3.130 3.863 757 HA ASN 89 HA ASN 89 5.151 -4.216 5.641 758 HB2 ASN 89 2HB ASN 89 3.820 -5.542 3.918 759 HB3 ASN 89 1HB ASN 89 4.757 -4.710 2.677 760 HD21 ASN 89 1HD2 ASN 89 5.380 -7.182 2.360 761 HD22 ASN 89 2HD2 ASN 89 6.757 -7.702 3.206 762 H ILE 90 H ILE 90 4.920 -2.174 2.779 763 HA ILE 90 HA ILE 90 7.776 -1.868 2.421 764 HB ILE 90 HB ILE 90 5.481 -0.150 1.441 765 HG12 ILE 90 2HG1 ILE 90 6.918 -2.415 0.031 766 HG13 ILE 90 1HG1 ILE 90 5.379 -2.614 0.847 767 HG21 ILE 90 1HG2 ILE 90 7.620 0.988 1.208 768 HG22 ILE 90 2HG2 ILE 90 7.099 0.426 -0.380 769 HG23 ILE 90 3HG2 ILE 90 8.348 -0.454 0.500 770 HD11 ILE 90 3HD1 ILE 90 5.996 -1.212 -1.705 771 HD12 ILE 90 1HD1 ILE 90 4.717 -0.523 -0.710 772 HD13 ILE 90 2HD1 ILE 90 4.599 -2.185 -1.259 773 H ARG 91 H ARG 91 5.226 0.339 3.556 774 HA ARG 91 HA ARG 91 6.862 2.476 4.406 775 HB2 ARG 91 2HB ARG 91 4.315 2.387 4.346 776 HB3 ARG 91 1HB ARG 91 4.386 1.493 5.856 777 HG2 ARG 91 2HG ARG 91 5.796 3.437 6.773 778 HG3 ARG 91 1HG ARG 91 5.298 4.330 5.338 779 HD2 ARG 91 2HD ARG 91 2.898 3.789 5.968 780 HD3 ARG 91 1HD ARG 91 3.523 3.190 7.505 781 HE ARG 91 HE ARG 91 4.518 5.841 7.022 782 HH11 ARG 91 1HH2 ARG 91 1.692 4.040 7.835 783 HH12 ARG 91 2HH2 ARG 91 0.967 5.330 8.735 784 HH21 ARG 91 1HH1 ARG 91 3.588 7.535 8.192 785 HH22 ARG 91 2HH1 ARG 91 2.041 7.309 8.938 786 H ASN 92 H ASN 92 6.102 -0.580 5.915 787 HA ASN 92 HA ASN 92 7.380 0.115 8.465 788 HB2 ASN 92 2HB ASN 92 5.457 -1.410 8.417 789 HB3 ASN 92 1HB ASN 92 6.366 -2.540 7.412 790 HD21 ASN 92 1HD2 ASN 92 6.162 -1.145 10.679 791 HD22 ASN 92 2HD2 ASN 92 7.162 -2.300 11.418 792 H ARG 93 H ARG 93 8.193 -1.971 5.651 793 HA ARG 93 HA ARG 93 10.671 -2.843 6.902 794 HB2 ARG 93 2HB ARG 93 9.448 -4.140 5.136 795 HB3 ARG 93 1HB ARG 93 9.971 -2.937 3.961 796 HG2 ARG 93 2HG ARG 93 12.276 -3.470 4.270 797 HG3 ARG 93 1HG ARG 93 11.953 -4.390 5.737 798 HD2 ARG 93 2HD ARG 93 10.597 -5.986 4.310 799 HD3 ARG 93 1HD ARG 93 11.234 -5.150 2.903 800 HE ARG 93 HE ARG 93 12.685 -7.047 4.529 801 HH11 ARG 93 1HH2 ARG 93 12.912 -4.142 2.686 802 HH12 ARG 93 2HH2 ARG 93 14.584 -4.364 2.294 803 HH21 ARG 93 1HH1 ARG 93 14.865 -7.353 4.028 804 HH22 ARG 93 2HH1 ARG 93 15.689 -6.182 3.053 805 H TRP 94 H TRP 94 9.812 -0.254 4.661 806 HA TRP 94 HA TRP 94 12.538 0.467 4.043 807 HB2 TRP 94 2HB TRP 94 10.595 1.139 2.630 808 HB3 TRP 94 1HB TRP 94 10.040 2.187 3.937 809 HD1 TRP 94 HD TRP 94 13.213 1.682 1.781 810 HE1 TRP 94 1HE TRP 94 14.306 3.987 1.411 811 HE3 TRP 94 3HE TRP 94 10.095 4.597 4.585 812 HZ2 TRP 94 2HZ TRP 94 13.911 6.708 2.201 813 HZ3 TRP 94 3HZ TRP 94 10.476 7.039 4.759 814 HH2 TRP 94 HH TRP 94 12.378 8.098 3.572 815 H MET 95 H MET 95 10.097 1.797 6.293 816 HA MET 95 HA MET 95 11.868 3.743 7.445 817 HB2 MET 95 2HB MET 95 9.349 2.419 8.483 818 HB3 MET 95 1HB MET 95 10.192 3.700 9.354 819 HG2 MET 95 2HG MET 95 9.968 5.156 7.328 820 HG3 MET 95 1HG MET 95 9.002 3.889 6.573 821 HE1 MET 95 3HE MET 95 9.360 5.832 9.980 822 HE2 MET 95 1HE MET 95 7.883 6.800 9.888 823 HE3 MET 95 2HE MET 95 9.114 6.945 8.637 824 H MET 96 H MET 96 11.701 0.335 7.751 825 HA MET 96 HA MET 96 12.845 0.210 10.445 826 HB2 MET 96 2HB MET 96 11.421 -1.624 9.639 827 HB3 MET 96 1HB MET 96 12.528 -1.914 8.299 828 HG2 MET 96 2HG MET 96 14.281 -2.607 9.783 829 HG3 MET 96 1HG MET 96 13.391 -2.046 11.199 830 HE1 MET 96 3HE MET 96 14.697 -4.927 10.864 831 HE2 MET 96 1HE MET 96 13.442 -5.889 11.657 832 HE3 MET 96 2HE MET 96 13.889 -4.312 12.303 833 H ILE 97 H ILE 97 13.991 -0.458 7.122 834 HA ILE 97 HA ILE 97 16.759 -0.637 8.077 835 HB ILE 97 HB ILE 97 17.332 -1.155 5.775 836 HG12 ILE 97 2HG1 ILE 97 14.471 -0.326 5.169 837 HG13 ILE 97 1HG1 ILE 97 15.935 0.470 4.598 838 HG21 ILE 97 1HG2 ILE 97 14.682 -2.496 6.367 839 HG22 ILE 97 2HG2 ILE 97 16.157 -2.868 7.259 840 HG23 ILE 97 3HG2 ILE 97 16.073 -3.179 5.526 841 HD11 ILE 97 3HD1 ILE 97 14.841 -2.224 3.796 842 HD12 ILE 97 1HD1 ILE 97 16.535 -1.810 3.531 843 HD13 ILE 97 2HD1 ILE 97 15.266 -0.857 2.766 844 H ALA 98 H ALA 98 14.665 1.721 6.547 845 HA ALA 98 HA ALA 98 16.795 3.477 5.683 846 HB1 ALA 98 1HB ALA 98 15.047 5.148 5.383 847 HB2 ALA 98 2HB ALA 98 13.930 4.203 6.364 848 HB3 ALA 98 3HB ALA 98 14.457 3.595 4.793 849 H ARG 99 H ARG 99 15.427 2.718 8.723 850 HA ARG 99 HA ARG 99 15.949 5.248 10.021 851 HB2 ARG 99 2HB ARG 99 14.337 3.655 10.972 852 HB3 ARG 99 1HB ARG 99 15.620 2.463 11.180 853 HG2 ARG 99 2HG ARG 99 16.745 3.837 12.803 854 HG3 ARG 99 1HG ARG 99 15.694 5.210 12.454 855 HD2 ARG 99 2HD ARG 99 13.764 4.011 13.343 856 HD3 ARG 99 1HD ARG 99 14.744 2.566 13.596 857 HE ARG 99 HE ARG 99 15.976 4.698 15.008 858 HH11 ARG 99 1HH2 ARG 99 13.082 2.823 14.957 859 HH12 ARG 99 2HH2 ARG 99 12.805 2.960 16.662 860 HH21 ARG 99 1HH1 ARG 99 15.630 4.887 17.233 861 HH22 ARG 99 2HH1 ARG 99 14.248 4.129 17.950 862 H HIS 100 H HIS 100 17.837 2.531 9.070 863 HA HIS 100 HA HIS 100 20.015 3.054 10.963 864 HB2 HIS 100 2HB HIS 100 19.441 0.759 10.030 865 HB3 HIS 100 1HB HIS 100 20.073 1.314 8.481 866 HD1 HIS 100 1HD HIS 100 22.289 0.141 8.292 867 HD2 HIS 100 2HD HIS 100 21.764 1.875 12.050 868 HE1 HIS 100 1HE HIS 100 24.482 -0.146 9.528 869 HE2 HIS 100 2HE HIS 100 24.175 0.906 11.815 870 H ARG 101 H ARG 101 19.202 3.719 7.599 871 HA ARG 101 HA ARG 101 21.814 4.917 7.015 872 HB2 ARG 101 2HB ARG 101 19.245 5.132 5.424 873 HB3 ARG 101 1HB ARG 101 20.881 5.417 4.838 874 HG2 ARG 101 2HG ARG 101 19.868 2.749 5.879 875 HG3 ARG 101 1HG ARG 101 19.976 3.178 4.175 876 HD2 ARG 101 2HD ARG 101 21.993 2.025 4.530 877 HD3 ARG 101 1HD ARG 101 22.495 3.702 4.728 878 HE ARG 101 HE ARG 101 21.665 2.492 7.241 879 HH11 ARG 101 1HH2 ARG 101 24.188 2.850 4.917 880 HH12 ARG 101 2HH2 ARG 101 25.460 2.564 6.059 881 HH21 ARG 101 1HH1 ARG 101 23.312 2.118 8.743 882 HH22 ARG 101 2HH1 ARG 101 24.964 2.150 8.223 883 H ALA 102 H ALA 102 18.860 5.900 8.441 884 HA ALA 102 HA ALA 102 18.855 8.674 7.717 885 HB1 ALA 102 1HB ALA 102 17.439 8.960 9.740 886 HB2 ALA 102 2HB ALA 102 17.826 7.308 10.224 887 HB3 ALA 102 3HB ALA 102 16.904 7.604 8.749 888 H LYS 103 H LYS 103 20.704 6.824 10.039 889 HA LYS 103 HA LYS 103 21.701 9.237 11.421 890 HB2 LYS 103 2HB LYS 103 22.216 6.265 11.690 891 HB3 LYS 103 1HB LYS 103 23.137 7.465 12.599 892 HG2 LYS 103 2HG LYS 103 21.131 8.294 13.665 893 HG3 LYS 103 1HG LYS 103 20.112 7.288 12.633 894 HD2 LYS 103 2HD LYS 103 21.072 5.260 13.619 895 HD3 LYS 103 1HD LYS 103 22.154 6.235 14.613 896 HE2 LYS 103 2HE LYS 103 20.114 7.325 15.619 897 HE3 LYS 103 1HE LYS 103 19.129 6.146 14.754 898 HZ1 LYS 103 3HZ LYS 103 21.255 4.874 16.135 899 HZ2 LYS 103 1HZ LYS 103 19.584 4.616 16.271 900 HZ3 LYS 103 2HZ LYS 103 20.335 5.819 17.207 901 H HIS 104 H HIS 104 22.901 6.683 9.245 902 HA HIS 104 HA HIS 104 25.556 7.862 9.056 903 HB2 HIS 104 2HB HIS 104 24.130 5.739 7.429 904 HB3 HIS 104 1HB HIS 104 25.799 6.226 7.137 905 HD1 HIS 104 1HD HIS 104 26.964 4.110 7.953 906 HD2 HIS 104 2HD HIS 104 24.338 5.691 10.782 907 HE1 HIS 104 1HE HIS 104 27.371 2.832 10.103 908 HE2 HIS 104 2HE HIS 104 25.777 3.785 11.830 909 H GLN 105 H GLN 105 22.703 9.028 8.044 910 HA GLN 105 HA GLN 105 22.948 9.628 5.302 911 HB2 GLN 105 2HB GLN 105 20.954 10.161 6.695 912 HB3 GLN 105 1HB GLN 105 21.870 11.453 7.473 913 HG2 GLN 105 2HG GLN 105 22.102 12.647 5.392 914 HG3 GLN 105 1HG GLN 105 21.433 11.293 4.481 915 HE21 GLN 105 1HE2 GLN 105 19.505 12.284 3.702 916 HE22 GLN 105 2HE2 GLN 105 18.287 12.882 4.724 917 H LYS 106 H LYS 106 24.872 10.707 7.945 918 HA LYS 106 HA LYS 106 25.747 13.244 7.077 919 HB2 LYS 106 2HB LYS 106 27.294 11.028 8.452 920 HB3 LYS 106 1HB LYS 106 27.890 12.678 8.265 921 HG2 LYS 106 2HG LYS 106 25.832 13.493 9.446 922 HG3 LYS 106 1HG LYS 106 25.393 11.812 9.748 923 HD2 LYS 106 2HD LYS 106 27.446 11.455 11.012 924 HD3 LYS 106 1HD LYS 106 27.997 13.087 10.632 925 HE2 LYS 106 2HE LYS 106 26.115 14.047 11.862 926 HE3 LYS 106 1HE LYS 106 25.473 12.436 12.182 927 HZ1 LYS 106 3HZ LYS 106 26.650 12.995 14.095 928 HZ2 LYS 106 1HZ LYS 106 27.943 13.673 13.231 929 HZ3 LYS 106 2HZ LYS 106 27.722 11.989 13.245 930 H SER 107 H SER 107 26.125 10.214 5.551 931 HA SER 107 HA SER 107 28.632 10.707 4.200 932 HB2 SER 107 2HB SER 107 27.907 8.441 4.262 933 HB3 SER 107 1HB SER 107 26.301 8.857 3.670 934 HG SER 107 HG SER 107 28.100 9.739 1.924 Start of MODEL 5 1 H1 LYS 1 1HT LYS 1 -0.004 9.899 2.166 2 H2 LYS 1 2HT LYS 1 0.631 8.941 0.914 3 H3 LYS 1 3HT LYS 1 1.191 8.745 2.506 4 HA LYS 1 HA LYS 1 -0.266 6.950 2.051 5 HB2 LYS 1 2HB LYS 1 -0.455 8.506 4.227 6 HB3 LYS 1 1HB LYS 1 -2.073 8.806 3.597 7 HG2 LYS 1 2HG LYS 1 -2.242 6.206 3.416 8 HG3 LYS 1 1HG LYS 1 -0.847 6.185 4.489 9 HD2 LYS 1 2HD LYS 1 -3.537 7.467 5.050 10 HD3 LYS 1 1HD LYS 1 -2.873 6.032 5.831 11 HE2 LYS 1 2HE LYS 1 -0.915 7.520 6.561 12 HE3 LYS 1 1HE LYS 1 -1.909 8.888 6.058 13 HZ1 LYS 1 2HZ LYS 1 -2.697 8.754 8.133 14 HZ2 LYS 1 3HZ LYS 1 -2.185 7.148 8.350 15 HZ3 LYS 1 1HZ LYS 1 -3.637 7.471 7.534 16 H VAL 2 H VAL 2 -2.790 6.507 1.764 17 HA VAL 2 HA VAL 2 -3.506 7.635 -0.824 18 HB VAL 2 HB VAL 2 -5.263 5.905 0.936 19 HG11 VAL 2 1HG1 VAL 2 -6.345 6.670 -1.090 20 HG12 VAL 2 2HG1 VAL 2 -5.908 4.980 -1.320 21 HG13 VAL 2 3HG1 VAL 2 -4.935 6.247 -2.063 22 HG21 VAL 2 3HG2 VAL 2 -2.893 5.115 -0.778 23 HG22 VAL 2 1HG2 VAL 2 -4.107 3.973 -0.208 24 HG23 VAL 2 2HG2 VAL 2 -3.100 4.835 0.951 25 H LYS 3 H LYS 3 -5.873 8.443 -1.093 26 HA LYS 3 HA LYS 3 -6.232 10.871 0.267 27 HB2 LYS 3 2HB LYS 3 -8.165 9.054 -1.184 28 HB3 LYS 3 1HB LYS 3 -8.723 10.555 -0.447 29 HG2 LYS 3 2HG LYS 3 -8.151 10.887 -2.825 30 HG3 LYS 3 1HG LYS 3 -7.095 11.833 -1.777 31 HD2 LYS 3 2HD LYS 3 -5.275 10.325 -2.065 32 HD3 LYS 3 1HD LYS 3 -6.313 9.077 -2.756 33 HE2 LYS 3 2HE LYS 3 -5.705 11.762 -4.034 34 HE3 LYS 3 1HE LYS 3 -4.990 10.220 -4.507 35 HZ1 LYS 3 3HZ LYS 3 -7.562 9.598 -4.604 36 HZ2 LYS 3 1HZ LYS 3 -6.714 10.219 -5.935 37 HZ3 LYS 3 2HZ LYS 3 -7.668 11.251 -4.980 38 H PHE 4 H PHE 4 -7.841 7.742 0.959 39 HA PHE 4 HA PHE 4 -9.000 8.833 3.426 40 HB2 PHE 4 2HB PHE 4 -9.703 6.397 3.755 41 HB3 PHE 4 1HB PHE 4 -10.404 7.247 2.397 42 HD1 PHE 4 2HD PHE 4 -7.898 4.687 3.397 43 HD2 PHE 4 1HD PHE 4 -9.870 6.662 0.134 44 HE1 PHE 4 2HE PHE 4 -7.070 2.943 1.824 45 HE2 PHE 4 1HE PHE 4 -9.051 4.922 -1.415 46 HZ PHE 4 HZ PHE 4 -7.661 3.077 -0.588 47 H THR 5 H THR 5 -8.617 7.787 5.531 48 HA THR 5 HA THR 5 -5.721 7.436 5.973 49 HB THR 5 HB THR 5 -6.812 8.893 7.528 50 HG1 THR 5 1HG THR 5 -6.377 6.339 8.671 51 HG21 THR 5 3HG2 THR 5 -8.745 6.601 7.893 52 HG22 THR 5 1HG2 THR 5 -9.102 8.216 7.285 53 HG23 THR 5 2HG2 THR 5 -8.667 7.987 8.978 54 H GLU 6 H GLU 6 -4.967 5.710 7.356 55 HA GLU 6 HA GLU 6 -5.468 3.139 6.412 56 HB2 GLU 6 2HB GLU 6 -4.416 2.306 8.496 57 HB3 GLU 6 1HB GLU 6 -3.534 3.679 7.826 58 HG2 GLU 6 2HG GLU 6 -4.889 5.164 9.388 59 HG3 GLU 6 1HG GLU 6 -5.453 3.686 10.167 60 H GLU 7 H GLU 7 -7.088 4.795 9.122 61 HA GLU 7 HA GLU 7 -8.583 2.689 10.193 62 HB2 GLU 7 2HB GLU 7 -9.769 5.423 9.664 63 HB3 GLU 7 1HB GLU 7 -10.137 4.317 10.988 64 HG2 GLU 7 2HG GLU 7 -7.720 4.551 11.720 65 HG3 GLU 7 1HG GLU 7 -7.564 5.848 10.536 66 H GLU 8 H GLU 8 -9.244 4.559 7.240 67 HA GLU 8 HA GLU 8 -11.780 3.316 6.703 68 HB2 GLU 8 2HB GLU 8 -10.712 5.447 5.647 69 HB3 GLU 8 1HB GLU 8 -9.911 4.313 4.561 70 HG2 GLU 8 2HG GLU 8 -12.913 4.469 4.978 71 HG3 GLU 8 1HG GLU 8 -12.049 5.188 3.619 72 H ASP 9 H ASP 9 -8.449 2.695 5.633 73 HA ASP 9 HA ASP 9 -8.792 0.586 3.857 74 HB2 ASP 9 2HB ASP 9 -6.594 1.576 4.657 75 HB3 ASP 9 1HB ASP 9 -6.721 0.518 6.061 76 H LEU 10 H LEU 10 -9.231 0.563 7.324 77 HA LEU 10 HA LEU 10 -9.460 -2.330 7.561 78 HB2 LEU 10 2HB LEU 10 -10.747 -0.449 9.544 79 HB3 LEU 10 1HB LEU 10 -9.877 -1.955 9.840 80 HG LEU 10 HG LEU 10 -8.660 0.679 8.993 81 HD11 LEU 10 1HD1 LEU 10 -7.586 0.586 11.206 82 HD12 LEU 10 2HD1 LEU 10 -8.483 -0.890 11.565 83 HD13 LEU 10 3HD1 LEU 10 -9.345 0.632 11.333 84 HD21 LEU 10 3HD2 LEU 10 -6.492 -0.581 9.427 85 HD22 LEU 10 1HD2 LEU 10 -7.360 -1.065 7.974 86 HD23 LEU 10 2HD2 LEU 10 -7.455 -2.059 9.426 87 H LYS 11 H LYS 11 -11.657 0.409 7.118 88 HA LYS 11 HA LYS 11 -14.110 -0.992 7.427 89 HB2 LYS 11 2HB LYS 11 -13.619 1.566 7.063 90 HB3 LYS 11 1HB LYS 11 -13.744 1.180 5.348 91 HG2 LYS 11 2HG LYS 11 -15.982 0.100 5.871 92 HG3 LYS 11 1HG LYS 11 -15.854 0.800 7.484 93 HD2 LYS 11 2HD LYS 11 -15.525 3.059 6.343 94 HD3 LYS 11 1HD LYS 11 -15.997 2.268 4.839 95 HE2 LYS 11 2HE LYS 11 -18.109 1.506 6.032 96 HE3 LYS 11 1HE LYS 11 -17.653 2.581 7.353 97 HZ1 LYS 11 3HZ LYS 11 -17.520 4.384 5.641 98 HZ2 LYS 11 1HZ LYS 11 -19.082 3.797 5.949 99 HZ3 LYS 11 2HZ LYS 11 -18.256 3.313 4.546 100 H LEU 12 H LEU 12 -11.746 -0.936 4.875 101 HA LEU 12 HA LEU 12 -13.402 -2.101 2.815 102 HB2 LEU 12 2HB LEU 12 -10.391 -2.319 3.063 103 HB3 LEU 12 1HB LEU 12 -11.361 -2.347 1.595 104 HG LEU 12 HG LEU 12 -10.999 0.014 3.441 105 HD11 LEU 12 1HD1 LEU 12 -9.687 0.973 1.685 106 HD12 LEU 12 2HD1 LEU 12 -10.166 -0.287 0.547 107 HD13 LEU 12 3HD1 LEU 12 -9.083 -0.672 1.884 108 HD21 LEU 12 3HD2 LEU 12 -12.221 1.180 1.478 109 HD22 LEU 12 1HD2 LEU 12 -13.196 0.221 2.587 110 HD23 LEU 12 2HD2 LEU 12 -12.744 -0.438 1.015 111 H GLN 13 H GLN 13 -11.038 -3.415 5.156 112 HA GLN 13 HA GLN 13 -11.122 -6.105 4.315 113 HB2 GLN 13 2HB GLN 13 -9.602 -5.419 6.076 114 HB3 GLN 13 1HB GLN 13 -10.941 -4.939 7.113 115 HG2 GLN 13 2HG GLN 13 -9.922 -7.156 7.727 116 HG3 GLN 13 1HG GLN 13 -11.646 -7.246 7.379 117 HE21 GLN 13 1HE2 GLN 13 -12.314 -8.465 5.529 118 HE22 GLN 13 2HE2 GLN 13 -11.230 -9.344 4.564 119 H GLN 14 H GLN 14 -13.466 -4.282 6.235 120 HA GLN 14 HA GLN 14 -15.149 -6.644 6.730 121 HB2 GLN 14 2HB GLN 14 -15.839 -3.725 7.070 122 HB3 GLN 14 1HB GLN 14 -16.672 -5.105 7.784 123 HG2 GLN 14 2HG GLN 14 -14.539 -5.703 8.968 124 HG3 GLN 14 1HG GLN 14 -13.835 -4.204 8.362 125 HE21 GLN 14 1HE2 GLN 14 -16.633 -5.395 10.293 126 HE22 GLN 14 2HE2 GLN 14 -16.754 -4.000 11.253 127 H LEU 15 H LEU 15 -15.671 -3.596 4.890 128 HA LEU 15 HA LEU 15 -18.091 -4.415 3.666 129 HB2 LEU 15 2HB LEU 15 -15.925 -2.601 2.562 130 HB3 LEU 15 1HB LEU 15 -17.562 -2.706 1.929 131 HG LEU 15 HG LEU 15 -16.963 -1.994 4.816 132 HD11 LEU 15 1HD1 LEU 15 -17.468 0.380 4.043 133 HD12 LEU 15 2HD1 LEU 15 -17.266 -0.204 2.392 134 HD13 LEU 15 3HD1 LEU 15 -15.914 -0.271 3.522 135 HD21 LEU 15 3HD2 LEU 15 -19.294 -0.891 4.500 136 HD22 LEU 15 1HD2 LEU 15 -19.244 -2.644 4.623 137 HD23 LEU 15 2HD2 LEU 15 -19.423 -1.877 3.047 138 H VAL 16 H VAL 16 -14.793 -4.542 2.363 139 HA VAL 16 HA VAL 16 -15.385 -5.913 -0.028 140 HB VAL 16 HB VAL 16 -12.884 -6.228 1.656 141 HG11 VAL 16 1HG1 VAL 16 -13.368 -6.453 -1.321 142 HG12 VAL 16 2HG1 VAL 16 -13.094 -7.809 -0.230 143 HG13 VAL 16 3HG1 VAL 16 -11.810 -6.634 -0.518 144 HG21 VAL 16 3HG2 VAL 16 -13.414 -4.192 -0.527 145 HG22 VAL 16 1HG2 VAL 16 -12.019 -4.282 0.539 146 HG23 VAL 16 2HG2 VAL 16 -13.591 -3.810 1.175 147 H MET 17 H MET 17 -14.938 -7.146 3.289 148 HA MET 17 HA MET 17 -14.829 -9.911 2.506 149 HB2 MET 17 2HB MET 17 -14.104 -9.325 4.719 150 HB3 MET 17 1HB MET 17 -15.633 -8.535 5.083 151 HG2 MET 17 2HG MET 17 -16.801 -10.609 5.146 152 HG3 MET 17 1HG MET 17 -15.452 -11.472 4.408 153 HE1 MET 17 3HE MET 17 -16.815 -12.612 6.566 154 HE2 MET 17 1HE MET 17 -15.842 -12.856 8.023 155 HE3 MET 17 2HE MET 17 -15.233 -13.381 6.455 156 H ARG 18 H ARG 18 -17.444 -7.608 3.016 157 HA ARG 18 HA ARG 18 -19.537 -9.659 2.943 158 HB2 ARG 18 2HB ARG 18 -19.746 -7.415 4.106 159 HB3 ARG 18 1HB ARG 18 -19.839 -6.675 2.508 160 HG2 ARG 18 2HG ARG 18 -21.785 -8.155 1.985 161 HG3 ARG 18 1HG ARG 18 -21.729 -8.757 3.642 162 HD2 ARG 18 2HD ARG 18 -22.200 -5.888 2.782 163 HD3 ARG 18 1HD ARG 18 -23.387 -6.976 3.504 164 HE ARG 18 HE ARG 18 -21.113 -6.731 5.241 165 HH11 ARG 18 1HH2 ARG 18 -23.868 -5.055 4.017 166 HH12 ARG 18 2HH2 ARG 18 -24.053 -4.061 5.423 167 HH21 ARG 18 1HH1 ARG 18 -21.341 -5.443 7.084 168 HH22 ARG 18 2HH1 ARG 18 -22.622 -4.281 7.159 169 H TYR 19 H TYR 19 -17.840 -7.645 0.624 170 HA TYR 19 HA TYR 19 -19.724 -8.442 -1.560 171 HB2 TYR 19 2HB TYR 19 -17.430 -6.453 -1.542 172 HB3 TYR 19 1HB TYR 19 -18.524 -6.749 -2.892 173 HD1 TYR 19 1HD TYR 19 -21.111 -6.651 -2.261 174 HD2 TYR 19 2HD TYR 19 -17.981 -4.678 -0.075 175 HE1 TYR 19 1HE TYR 19 -22.769 -5.089 -1.293 176 HE2 TYR 19 2HE TYR 19 -19.643 -3.118 0.892 177 HH TYR 19 HH TYR 19 -22.061 -2.255 0.047 178 H GLY 20 H GLY 20 -16.872 -9.460 -0.129 179 HA2 GLY 20 2HA GLY 20 -15.522 -11.297 -0.785 180 HA3 GLY 20 1HA GLY 20 -16.271 -11.249 -2.382 181 H ALA 21 H ALA 21 -15.715 -9.234 -3.664 182 HA ALA 21 HA ALA 21 -13.718 -7.415 -3.429 183 HB1 ALA 21 1HB ALA 21 -11.695 -8.786 -4.496 184 HB2 ALA 21 2HB ALA 21 -12.498 -10.151 -3.725 185 HB3 ALA 21 3HB ALA 21 -11.942 -8.790 -2.754 186 H LYS 22 H LYS 22 -15.905 -7.634 -5.032 187 HA LYS 22 HA LYS 22 -14.701 -7.345 -7.718 188 HB2 LYS 22 2HB LYS 22 -16.198 -8.920 -8.798 189 HB3 LYS 22 1HB LYS 22 -15.285 -9.755 -7.540 190 HG2 LYS 22 2HG LYS 22 -17.268 -9.300 -5.988 191 HG3 LYS 22 1HG LYS 22 -18.163 -8.817 -7.428 192 HD2 LYS 22 2HD LYS 22 -16.892 -11.524 -6.913 193 HD3 LYS 22 1HD LYS 22 -18.618 -11.165 -6.955 194 HE2 LYS 22 2HE LYS 22 -16.652 -11.199 -9.245 195 HE3 LYS 22 1HE LYS 22 -18.190 -12.049 -9.105 196 HZ1 LYS 22 3HZ LYS 22 -17.654 -9.288 -9.853 197 HZ2 LYS 22 1HZ LYS 22 -19.023 -9.550 -8.886 198 HZ3 LYS 22 2HZ LYS 22 -18.877 -10.343 -10.381 199 H ASP 23 H ASP 23 -17.059 -6.430 -5.436 200 HA ASP 23 HA ASP 23 -18.684 -5.002 -7.514 201 HB2 ASP 23 2HB ASP 23 -19.395 -5.364 -4.593 202 HB3 ASP 23 1HB ASP 23 -20.456 -4.912 -5.927 203 H TRP 24 H TRP 24 -16.193 -3.960 -7.031 204 HA TRP 24 HA TRP 24 -16.059 -2.072 -4.888 205 HB2 TRP 24 2HB TRP 24 -14.728 -1.960 -7.609 206 HB3 TRP 24 1HB TRP 24 -14.247 -1.030 -6.188 207 HD1 TRP 24 HD TRP 24 -13.980 -4.447 -7.755 208 HE1 TRP 24 1HE TRP 24 -12.515 -5.950 -6.256 209 HE3 TRP 24 3HE TRP 24 -13.602 -1.454 -3.667 210 HZ2 TRP 24 2HZ TRP 24 -11.343 -5.876 -3.628 211 HZ3 TRP 24 3HZ TRP 24 -12.311 -2.162 -1.685 212 HH2 TRP 24 HH TRP 24 -11.193 -4.375 -1.651 213 H ILE 25 H ILE 25 -17.955 -2.124 -7.714 214 HA ILE 25 HA ILE 25 -18.199 0.741 -8.085 215 HB ILE 25 HB ILE 25 -20.366 -0.005 -9.309 216 HG12 ILE 25 2HG1 ILE 25 -19.080 -2.733 -8.991 217 HG13 ILE 25 1HG1 ILE 25 -20.441 -2.198 -8.007 218 HG21 ILE 25 1HG2 ILE 25 -17.646 -1.068 -10.128 219 HG22 ILE 25 2HG2 ILE 25 -18.329 0.506 -10.536 220 HG23 ILE 25 3HG2 ILE 25 -19.038 -0.963 -11.206 221 HD11 ILE 25 3HD1 ILE 25 -21.131 -3.522 -10.023 222 HD12 ILE 25 1HD1 ILE 25 -20.454 -2.248 -11.036 223 HD13 ILE 25 2HD1 ILE 25 -21.823 -1.900 -9.979 224 H ARG 26 H ARG 26 -19.793 -1.730 -6.157 225 HA ARG 26 HA ARG 26 -21.913 0.046 -5.248 226 HB2 ARG 26 2HB ARG 26 -20.940 -2.673 -4.334 227 HB3 ARG 26 1HB ARG 26 -22.262 -1.819 -3.537 228 HG2 ARG 26 2HG ARG 26 -23.468 -1.713 -5.711 229 HG3 ARG 26 1HG ARG 26 -22.169 -2.649 -6.451 230 HD2 ARG 26 2HD ARG 26 -22.612 -4.535 -5.011 231 HD3 ARG 26 1HD ARG 26 -23.762 -3.597 -4.059 232 HE ARG 26 HE ARG 26 -24.543 -3.685 -6.841 233 HH11 ARG 26 1HH2 ARG 26 -24.416 -5.447 -3.881 234 HH12 ARG 26 2HH2 ARG 26 -25.784 -6.440 -4.258 235 HH21 ARG 26 1HH1 ARG 26 -26.331 -4.971 -7.352 236 HH22 ARG 26 2HH1 ARG 26 -26.868 -6.170 -6.224 237 H ILE 27 H ILE 27 -18.978 -1.375 -3.819 238 HA ILE 27 HA ILE 27 -19.105 -0.046 -1.340 239 HB ILE 27 HB ILE 27 -16.607 -0.692 -2.927 240 HG12 ILE 27 2HG1 ILE 27 -18.059 -2.375 -0.862 241 HG13 ILE 27 1HG1 ILE 27 -18.223 -2.610 -2.601 242 HG21 ILE 27 1HG2 ILE 27 -15.628 -0.880 -0.606 243 HG22 ILE 27 2HG2 ILE 27 -17.134 -0.208 0.019 244 HG23 ILE 27 3HG2 ILE 27 -16.115 0.755 -1.050 245 HD11 ILE 27 3HD1 ILE 27 -16.544 -4.156 -1.883 246 HD12 ILE 27 1HD1 ILE 27 -15.727 -2.927 -0.920 247 HD13 ILE 27 2HD1 ILE 27 -15.681 -2.844 -2.681 248 H SER 28 H SER 28 -18.032 1.072 -4.490 249 HA SER 28 HA SER 28 -16.853 3.537 -3.510 250 HB2 SER 28 2HB SER 28 -17.756 2.633 -6.253 251 HB3 SER 28 1HB SER 28 -17.012 4.202 -5.955 252 HG SER 28 HG SER 28 -15.188 3.135 -5.182 253 H GLN 29 H GLN 29 -20.075 2.517 -4.487 254 HA GLN 29 HA GLN 29 -21.182 5.150 -4.832 255 HB2 GLN 29 2HB GLN 29 -22.398 2.474 -4.115 256 HB3 GLN 29 1HB GLN 29 -23.387 3.929 -4.189 257 HG2 GLN 29 2HG GLN 29 -21.578 3.180 -6.497 258 HG3 GLN 29 1HG GLN 29 -23.180 2.464 -6.343 259 HE21 GLN 29 1HE2 GLN 29 -24.938 3.714 -7.068 260 HE22 GLN 29 2HE2 GLN 29 -24.827 5.347 -7.520 261 H LEU 30 H LEU 30 -20.642 3.109 -2.001 262 HA LEU 30 HA LEU 30 -22.089 4.786 -0.149 263 HB2 LEU 30 2HB LEU 30 -19.679 3.105 0.588 264 HB3 LEU 30 1HB LEU 30 -21.102 3.471 1.565 265 HG LEU 30 HG LEU 30 -21.013 1.711 -0.903 266 HD11 LEU 30 1HD1 LEU 30 -20.099 0.725 1.192 267 HD12 LEU 30 2HD1 LEU 30 -21.577 -0.079 0.664 268 HD13 LEU 30 3HD1 LEU 30 -21.628 1.074 1.998 269 HD21 LEU 30 3HD2 LEU 30 -23.132 2.823 -0.936 270 HD22 LEU 30 1HD2 LEU 30 -23.310 2.692 0.814 271 HD23 LEU 30 2HD2 LEU 30 -23.437 1.252 -0.197 272 H MET 31 H MET 31 -18.693 4.575 -1.153 273 HA MET 31 HA MET 31 -18.177 7.270 0.087 274 HB2 MET 31 2HB MET 31 -16.230 5.026 -0.545 275 HB3 MET 31 1HB MET 31 -15.808 6.586 0.163 276 HG2 MET 31 2HG MET 31 -17.421 6.058 2.045 277 HG3 MET 31 1HG MET 31 -17.549 4.429 1.383 278 HE1 MET 31 3HE MET 31 -14.862 7.169 2.262 279 HE2 MET 31 1HE MET 31 -14.117 6.371 3.655 280 HE3 MET 31 2HE MET 31 -15.836 6.757 3.673 281 H ILE 32 H ILE 32 -19.336 7.692 -2.186 282 HA ILE 32 HA ILE 32 -18.118 7.329 -4.662 283 HB ILE 32 HB ILE 32 -19.114 9.570 -5.274 284 HG12 ILE 32 2HG1 ILE 32 -19.890 9.551 -2.338 285 HG13 ILE 32 1HG1 ILE 32 -18.716 10.645 -3.071 286 HG21 ILE 32 1HG2 ILE 32 -20.944 7.799 -3.630 287 HG22 ILE 32 2HG2 ILE 32 -20.404 7.403 -5.261 288 HG23 ILE 32 3HG2 ILE 32 -21.404 8.829 -4.985 289 HD11 ILE 32 3HD1 ILE 32 -20.816 11.822 -2.946 290 HD12 ILE 32 1HD1 ILE 32 -21.677 10.467 -3.674 291 HD13 ILE 32 2HD1 ILE 32 -20.542 11.411 -4.639 292 H THR 33 H THR 33 -16.858 9.067 -1.989 293 HA THR 33 HA THR 33 -15.221 10.952 -3.430 294 HB THR 33 HB THR 33 -13.937 11.083 -1.289 295 HG1 THR 33 1HG THR 33 -15.789 9.344 -0.138 296 HG21 THR 33 3HG2 THR 33 -16.939 11.034 -0.884 297 HG22 THR 33 1HG2 THR 33 -16.063 12.351 -1.664 298 HG23 THR 33 2HG2 THR 33 -15.766 11.978 0.034 299 H ARG 34 H ARG 34 -15.117 7.594 -3.265 300 HA ARG 34 HA ARG 34 -12.209 7.538 -4.053 301 HB2 ARG 34 2HB ARG 34 -13.817 5.765 -2.229 302 HB3 ARG 34 1HB ARG 34 -12.587 4.992 -3.222 303 HG2 ARG 34 2HG ARG 34 -11.598 5.570 -1.101 304 HG3 ARG 34 1HG ARG 34 -10.907 6.611 -2.340 305 HD2 ARG 34 2HD ARG 34 -13.330 7.787 -1.109 306 HD3 ARG 34 1HD ARG 34 -12.035 7.520 0.050 307 HE ARG 34 HE ARG 34 -11.046 8.771 -2.367 308 HH11 ARG 34 1HH2 ARG 34 -12.726 9.238 0.608 309 HH12 ARG 34 2HH2 ARG 34 -12.273 10.903 0.755 310 HH21 ARG 34 1HH1 ARG 34 -10.447 10.942 -2.192 311 HH22 ARG 34 2HH1 ARG 34 -10.984 11.868 -0.830 312 H ASN 35 H ASN 35 -11.720 6.324 -5.871 313 HA ASN 35 HA ASN 35 -14.015 5.602 -7.577 314 HB2 ASN 35 2HB ASN 35 -11.100 5.344 -8.330 315 HB3 ASN 35 1HB ASN 35 -12.484 5.598 -9.391 316 HD21 ASN 35 1HD2 ASN 35 -13.652 7.675 -7.540 317 HD22 ASN 35 2HD2 ASN 35 -12.699 9.061 -7.769 318 HA PRO 36 HA PRO 36 -14.050 1.239 -6.767 319 HB2 PRO 36 2HB PRO 36 -13.334 0.921 -9.686 320 HB3 PRO 36 1HB PRO 36 -14.553 0.052 -8.736 321 HG2 PRO 36 2HG PRO 36 -15.268 2.017 -10.373 322 HG3 PRO 36 1HG PRO 36 -16.058 1.811 -8.797 323 HD2 PRO 36 2HD PRO 36 -14.106 3.908 -9.652 324 HD3 PRO 36 1HD PRO 36 -15.369 3.978 -8.402 325 H ARG 37 H ARG 37 -11.431 2.472 -8.795 326 HA ARG 37 HA ARG 37 -9.584 0.324 -8.209 327 HB2 ARG 37 2HB ARG 37 -9.054 3.113 -9.264 328 HB3 ARG 37 1HB ARG 37 -7.922 1.759 -9.310 329 HG2 ARG 37 2HG ARG 37 -9.567 0.473 -10.672 330 HG3 ARG 37 1HG ARG 37 -10.617 1.891 -10.695 331 HD2 ARG 37 2HD ARG 37 -8.884 3.198 -11.823 332 HD3 ARG 37 1HD ARG 37 -7.770 1.832 -11.737 333 HE ARG 37 HE ARG 37 -10.225 1.107 -13.090 334 HH11 ARG 37 1HH2 ARG 37 -7.201 2.741 -13.370 335 HH12 ARG 37 2HH2 ARG 37 -7.081 2.504 -15.082 336 HH21 ARG 37 1HH1 ARG 37 -10.084 0.789 -15.323 337 HH22 ARG 37 2HH1 ARG 37 -8.713 1.399 -16.187 338 H GLN 38 H GLN 38 -10.365 3.389 -6.653 339 HA GLN 38 HA GLN 38 -7.933 3.670 -5.184 340 HB2 GLN 38 2HB GLN 38 -10.750 4.639 -4.674 341 HB3 GLN 38 1HB GLN 38 -9.378 5.104 -3.678 342 HG2 GLN 38 2HG GLN 38 -9.415 5.480 -6.678 343 HG3 GLN 38 1HG GLN 38 -9.949 6.726 -5.551 344 HE21 GLN 38 1HE2 GLN 38 -7.641 7.034 -7.292 345 HE22 GLN 38 2HE2 GLN 38 -6.267 7.155 -6.301 346 H CYS 39 H CYS 39 -11.047 2.129 -4.221 347 HA CYS 39 HA CYS 39 -9.856 1.285 -1.675 348 HB2 CYS 39 2HB CYS 39 -12.453 0.485 -3.002 349 HB3 CYS 39 1HB CYS 39 -11.997 0.148 -1.334 350 HG CYS 39 HG CYS 39 -12.018 2.753 -0.886 351 H ARG 40 H ARG 40 -10.587 -0.129 -4.843 352 HA ARG 40 HA ARG 40 -10.052 -2.839 -4.089 353 HB2 ARG 40 2HB ARG 40 -11.136 -2.271 -6.234 354 HB3 ARG 40 1HB ARG 40 -9.634 -1.527 -6.780 355 HG2 ARG 40 2HG ARG 40 -8.463 -3.624 -6.731 356 HG3 ARG 40 1HG ARG 40 -9.790 -4.415 -5.880 357 HD2 ARG 40 2HD ARG 40 -11.209 -4.279 -7.793 358 HD3 ARG 40 1HD ARG 40 -10.091 -3.202 -8.628 359 HE ARG 40 HE ARG 40 -8.635 -5.537 -8.119 360 HH11 ARG 40 1HH2 ARG 40 -11.536 -4.604 -9.732 361 HH12 ARG 40 2HH2 ARG 40 -11.435 -5.858 -10.922 362 HH21 ARG 40 1HH1 ARG 40 -8.487 -7.181 -9.664 363 HH22 ARG 40 2HH1 ARG 40 -9.709 -7.317 -10.883 364 H GLU 41 H GLU 41 -7.981 -0.313 -5.484 365 HA GLU 41 HA GLU 41 -5.585 -1.696 -5.773 366 HB2 GLU 41 2HB GLU 41 -6.207 1.127 -4.915 367 HB3 GLU 41 1HB GLU 41 -4.531 0.581 -4.879 368 HG2 GLU 41 2HG GLU 41 -4.494 0.157 -7.216 369 HG3 GLU 41 1HG GLU 41 -6.250 0.222 -7.346 370 H ARG 42 H ARG 42 -7.194 -0.754 -2.758 371 HA ARG 42 HA ARG 42 -4.853 -1.438 -1.115 372 HB2 ARG 42 2HB ARG 42 -7.727 -1.387 -0.168 373 HB3 ARG 42 1HB ARG 42 -6.265 -1.117 0.777 374 HG2 ARG 42 2HG ARG 42 -7.531 0.708 -1.271 375 HG3 ARG 42 1HG ARG 42 -7.181 1.038 0.422 376 HD2 ARG 42 2HD ARG 42 -5.211 0.806 -1.864 377 HD3 ARG 42 1HD ARG 42 -5.504 2.194 -0.828 378 HE ARG 42 HE ARG 42 -4.643 0.000 0.789 379 HH11 ARG 42 1HH2 ARG 42 -3.586 2.241 -1.610 380 HH12 ARG 42 2HH2 ARG 42 -1.939 2.243 -1.077 381 HH21 ARG 42 1HH1 ARG 42 -2.488 -0.011 1.496 382 HH22 ARG 42 2HH1 ARG 42 -1.318 0.970 0.679 383 H TRP 43 H TRP 43 -7.739 -3.118 -2.273 384 HA TRP 43 HA TRP 43 -7.813 -5.434 -0.754 385 HB2 TRP 43 2HB TRP 43 -9.243 -4.873 -2.756 386 HB3 TRP 43 1HB TRP 43 -7.909 -5.355 -3.782 387 HD1 TRP 43 HD TRP 43 -9.399 -7.117 -0.663 388 HE1 TRP 43 1HE TRP 43 -9.974 -9.536 -1.325 389 HE3 TRP 43 3HE TRP 43 -8.153 -6.987 -5.609 390 HZ2 TRP 43 2HZ TRP 43 -9.918 -11.200 -3.651 391 HZ3 TRP 43 3HZ TRP 43 -8.426 -9.002 -7.026 392 HH2 TRP 43 HH TRP 43 -9.306 -11.106 -6.054 393 H ASN 44 H ASN 44 -5.851 -5.135 -3.715 394 HA ASN 44 HA ASN 44 -4.374 -7.562 -3.100 395 HB2 ASN 44 2HB ASN 44 -3.636 -5.420 -5.108 396 HB3 ASN 44 1HB ASN 44 -3.177 -7.123 -5.133 397 HD21 ASN 44 1HD2 ASN 44 -5.856 -4.872 -5.731 398 HD22 ASN 44 2HD2 ASN 44 -6.869 -6.005 -6.488 399 H ASN 45 H ASN 45 -3.696 -4.089 -2.772 400 HA ASN 45 HA ASN 45 -0.953 -4.676 -1.807 401 HB2 ASN 45 2HB ASN 45 -2.453 -2.054 -2.121 402 HB3 ASN 45 1HB ASN 45 -0.752 -2.210 -1.683 403 HD21 ASN 45 1HD2 ASN 45 -2.618 -1.512 -4.299 404 HD22 ASN 45 2HD2 ASN 45 -1.644 -2.139 -5.539 405 H TYR 46 H TYR 46 -3.635 -5.275 -0.257 406 HA TYR 46 HA TYR 46 -2.490 -4.426 2.326 407 HB2 TYR 46 2HB TYR 46 -4.295 -2.708 1.233 408 HB3 TYR 46 1HB TYR 46 -5.402 -3.774 2.091 409 HD1 TYR 46 1HD TYR 46 -4.168 -4.526 4.518 410 HD2 TYR 46 2HD TYR 46 -3.815 -0.763 2.473 411 HE1 TYR 46 1HE TYR 46 -3.605 -3.414 6.660 412 HE2 TYR 46 2HE TYR 46 -3.253 0.347 4.616 413 HH TYR 46 HH TYR 46 -2.680 0.006 6.766 414 H ILE 47 H ILE 47 -5.500 -5.897 0.956 415 HA ILE 47 HA ILE 47 -4.891 -8.313 2.558 416 HB ILE 47 HB ILE 47 -6.807 -8.372 3.876 417 HG12 ILE 47 2HG1 ILE 47 -8.517 -7.943 2.096 418 HG13 ILE 47 1HG1 ILE 47 -8.844 -7.087 3.581 419 HG21 ILE 47 1HG2 ILE 47 -6.207 -5.414 3.613 420 HG22 ILE 47 2HG2 ILE 47 -5.366 -6.568 4.644 421 HG23 ILE 47 3HG2 ILE 47 -7.053 -6.173 4.957 422 HD11 ILE 47 3HD1 ILE 47 -9.016 -5.826 1.272 423 HD12 ILE 47 1HD1 ILE 47 -7.279 -5.655 1.474 424 HD13 ILE 47 2HD1 ILE 47 -8.366 -5.013 2.692 425 H ASN 48 H ASN 48 -5.060 -9.978 1.313 426 HA ASN 48 HA ASN 48 -7.292 -10.768 -0.212 427 HB2 ASN 48 2HB ASN 48 -7.067 -9.627 -2.178 428 HB3 ASN 48 1HB ASN 48 -5.623 -8.862 -1.582 429 HD21 ASN 48 1HD2 ASN 48 -3.592 -9.561 -2.409 430 HD22 ASN 48 2HD2 ASN 48 -3.441 -10.797 -3.563 431 HA PRO 49 HA PRO 49 -3.711 -13.793 -0.776 432 HB2 PRO 49 2HB PRO 49 -1.164 -12.999 -0.771 433 HB3 PRO 49 1HB PRO 49 -2.255 -12.463 -2.066 434 HG2 PRO 49 2HG PRO 49 -1.204 -10.923 0.259 435 HG3 PRO 49 1HG PRO 49 -1.641 -10.353 -1.362 436 HD2 PRO 49 2HD PRO 49 -3.295 -10.315 1.030 437 HD3 PRO 49 1HD PRO 49 -3.732 -9.759 -0.595 438 H ALA 50 H ALA 50 -1.070 -12.599 0.992 439 HA ALA 50 HA ALA 50 -1.842 -13.096 3.692 440 HB1 ALA 50 1HB ALA 50 -0.635 -15.427 2.172 441 HB2 ALA 50 2HB ALA 50 -2.116 -15.418 3.129 442 HB3 ALA 50 3HB ALA 50 -0.550 -15.296 3.929 443 H LEU 51 H LEU 51 -0.249 -11.370 1.973 444 HA LEU 51 HA LEU 51 2.548 -11.810 2.300 445 HB2 LEU 51 2HB LEU 51 2.708 -9.302 1.909 446 HB3 LEU 51 1HB LEU 51 1.874 -10.225 0.668 447 HG LEU 51 HG LEU 51 -0.289 -9.587 2.187 448 HD11 LEU 51 1HD1 LEU 51 0.957 -8.361 3.898 449 HD12 LEU 51 2HD1 LEU 51 -0.069 -7.260 2.996 450 HD13 LEU 51 3HD1 LEU 51 1.662 -7.319 2.665 451 HD21 LEU 51 3HD2 LEU 51 0.971 -7.586 0.299 452 HD22 LEU 51 1HD2 LEU 51 -0.741 -7.758 0.668 453 HD23 LEU 51 2HD2 LEU 51 0.096 -9.017 -0.234 454 H ARG 52 H ARG 52 0.613 -11.821 4.804 455 HA ARG 52 HA ARG 52 1.299 -9.779 6.588 456 HB2 ARG 52 2HB ARG 52 1.027 -12.741 7.182 457 HB3 ARG 52 1HB ARG 52 0.988 -11.457 8.392 458 HG2 ARG 52 2HG ARG 52 -1.010 -10.508 7.431 459 HG3 ARG 52 1HG ARG 52 -0.913 -11.582 6.036 460 HD2 ARG 52 2HD ARG 52 -2.572 -12.508 7.496 461 HD3 ARG 52 1HD ARG 52 -1.147 -13.529 7.657 462 HE ARG 52 HE ARG 52 -2.221 -11.693 9.709 463 HH11 ARG 52 1HH2 ARG 52 0.370 -13.700 8.595 464 HH12 ARG 52 2HH2 ARG 52 1.078 -13.867 10.164 465 HH21 ARG 52 1HH1 ARG 52 -1.299 -11.910 11.750 466 HH22 ARG 52 2HH1 ARG 52 0.139 -12.856 11.945 467 H THR 53 H THR 53 3.359 -12.061 5.110 468 HA THR 53 HA THR 53 5.671 -11.016 6.632 469 HB THR 53 HB THR 53 5.246 -14.008 6.385 470 HG1 THR 53 1HG THR 53 4.258 -12.197 8.173 471 HG21 THR 53 3HG2 THR 53 7.580 -13.167 6.580 472 HG22 THR 53 1HG2 THR 53 7.088 -14.110 7.987 473 HG23 THR 53 2HG2 THR 53 7.136 -12.350 8.078 474 H ASP 54 H ASP 54 5.501 -10.184 4.223 475 HA ASP 54 HA ASP 54 7.248 -11.952 2.542 476 HB2 ASP 54 2HB ASP 54 4.917 -12.068 1.695 477 HB3 ASP 54 1HB ASP 54 4.897 -10.309 1.557 478 HA PRO 55 HA PRO 55 8.877 -7.636 2.860 479 HB2 PRO 55 2HB PRO 55 11.263 -8.118 3.987 480 HB3 PRO 55 1HB PRO 55 9.776 -8.178 4.959 481 HG2 PRO 55 2HG PRO 55 11.341 -10.438 3.774 482 HG3 PRO 55 1HG PRO 55 10.647 -10.290 5.401 483 HD2 PRO 55 2HD PRO 55 9.417 -11.655 3.311 484 HD3 PRO 55 1HD PRO 55 8.534 -10.970 4.696 485 H TRP 56 H TRP 56 10.012 -6.695 1.224 486 HA TRP 56 HA TRP 56 11.069 -8.324 -0.922 487 HB2 TRP 56 2HB TRP 56 11.924 -5.869 -1.632 488 HB3 TRP 56 1HB TRP 56 10.247 -6.355 -1.816 489 HD1 TRP 56 HD TRP 56 8.543 -5.575 0.162 490 HE1 TRP 56 1HE TRP 56 8.548 -3.435 1.596 491 HE3 TRP 56 3HE TRP 56 13.382 -4.151 -0.496 492 HZ2 TRP 56 2HZ TRP 56 10.403 -1.366 2.342 493 HZ3 TRP 56 3HZ TRP 56 14.243 -2.100 0.559 494 HH2 TRP 56 HH TRP 56 12.770 -0.703 1.987 495 H SER 57 H SER 57 13.433 -6.893 -1.660 496 HA SER 57 HA SER 57 15.308 -7.343 0.622 497 HB2 SER 57 2HB SER 57 16.246 -9.215 -0.321 498 HB3 SER 57 1HB SER 57 14.846 -9.257 -1.378 499 HG SER 57 HG SER 57 15.975 -8.151 -2.917 500 HA PRO 58 HA PRO 58 17.908 -4.038 -0.760 501 HB2 PRO 58 2HB PRO 58 19.850 -6.015 -1.946 502 HB3 PRO 58 1HB PRO 58 20.179 -4.599 -0.921 503 HG2 PRO 58 2HG PRO 58 20.206 -6.995 0.154 504 HG3 PRO 58 1HG PRO 58 19.398 -5.663 1.007 505 HD2 PRO 58 2HD PRO 58 18.169 -7.929 -0.535 506 HD3 PRO 58 1HD PRO 58 17.598 -7.150 0.958 507 H GLU 59 H GLU 59 16.861 -6.345 -3.067 508 HA GLU 59 HA GLU 59 17.794 -5.021 -5.450 509 HB2 GLU 59 2HB GLU 59 15.495 -6.969 -5.074 510 HB3 GLU 59 1HB GLU 59 16.221 -6.516 -6.616 511 HG2 GLU 59 2HG GLU 59 17.754 -7.799 -4.338 512 HG3 GLU 59 1HG GLU 59 17.086 -8.692 -5.705 513 H GLU 60 H GLU 60 14.725 -5.077 -3.603 514 HA GLU 60 HA GLU 60 13.544 -3.075 -5.400 515 HB2 GLU 60 2HB GLU 60 12.560 -3.861 -2.652 516 HB3 GLU 60 1HB GLU 60 11.631 -3.161 -3.969 517 HG2 GLU 60 2HG GLU 60 12.888 -5.920 -3.933 518 HG3 GLU 60 1HG GLU 60 11.165 -5.554 -3.848 519 H ASP 61 H ASP 61 15.540 -3.133 -2.562 520 HA ASP 61 HA ASP 61 14.917 -0.513 -1.554 521 HB2 ASP 61 2HB ASP 61 16.349 -2.321 -0.413 522 HB3 ASP 61 1HB ASP 61 17.659 -1.807 -1.471 523 H MET 62 H MET 62 17.593 -1.639 -3.639 524 HA MET 62 HA MET 62 18.492 0.971 -4.357 525 HB2 MET 62 2HB MET 62 18.728 -1.654 -5.859 526 HB3 MET 62 1HB MET 62 19.634 -0.190 -6.242 527 HG2 MET 62 2HG MET 62 19.706 -1.526 -3.525 528 HG3 MET 62 1HG MET 62 20.883 -1.851 -4.798 529 HE1 MET 62 3HE MET 62 21.858 -1.253 -2.309 530 HE2 MET 62 1HE MET 62 20.820 -0.026 -1.572 531 HE3 MET 62 2HE MET 62 22.499 0.349 -1.953 532 H LEU 63 H LEU 63 16.068 -1.217 -5.748 533 HA LEU 63 HA LEU 63 15.595 0.506 -8.068 534 HB2 LEU 63 2HB LEU 63 15.011 -2.080 -7.608 535 HB3 LEU 63 1HB LEU 63 13.475 -1.402 -7.088 536 HG LEU 63 HG LEU 63 14.799 -1.066 -9.800 537 HD11 LEU 63 1HD1 LEU 63 13.661 -3.237 -9.351 538 HD12 LEU 63 2HD1 LEU 63 12.854 -2.302 -10.611 539 HD13 LEU 63 3HD1 LEU 63 12.178 -2.356 -8.982 540 HD21 LEU 63 3HD2 LEU 63 12.519 0.082 -10.303 541 HD22 LEU 63 1HD2 LEU 63 13.731 1.016 -9.433 542 HD23 LEU 63 2HD2 LEU 63 12.389 0.281 -8.555 543 H LEU 64 H LEU 64 14.376 0.246 -4.805 544 HA LEU 64 HA LEU 64 12.066 1.954 -5.183 545 HB2 LEU 64 2HB LEU 64 12.069 0.455 -3.293 546 HB3 LEU 64 1HB LEU 64 13.614 1.078 -2.725 547 HG LEU 64 HG LEU 64 12.581 3.233 -2.189 548 HD11 LEU 64 1HD1 LEU 64 10.174 1.979 -3.532 549 HD12 LEU 64 2HD1 LEU 64 10.924 3.542 -3.858 550 HD13 LEU 64 3HD1 LEU 64 9.993 3.303 -2.381 551 HD21 LEU 64 3HD2 LEU 64 12.429 1.212 -0.613 552 HD22 LEU 64 1HD2 LEU 64 10.752 1.058 -1.142 553 HD23 LEU 64 2HD2 LEU 64 11.290 2.520 -0.316 554 H ASP 65 H ASP 65 15.433 2.441 -4.144 555 HA ASP 65 HA ASP 65 15.327 5.117 -3.315 556 HB2 ASP 65 2HB ASP 65 17.437 3.671 -4.939 557 HB3 ASP 65 1HB ASP 65 17.668 5.290 -4.278 558 H GLN 66 H GLN 66 15.105 3.771 -6.544 559 HA GLN 66 HA GLN 66 15.328 6.359 -7.890 560 HB2 GLN 66 2HB GLN 66 14.285 3.712 -8.942 561 HB3 GLN 66 1HB GLN 66 14.754 5.108 -9.913 562 HG2 GLN 66 2HG GLN 66 17.059 4.923 -9.153 563 HG3 GLN 66 1HG GLN 66 16.623 3.622 -8.045 564 HE21 GLN 66 1HE2 GLN 66 18.578 3.252 -10.127 565 HE22 GLN 66 2HE2 GLN 66 17.952 2.140 -11.246 566 H LYS 67 H LYS 67 12.651 4.108 -7.140 567 HA LYS 67 HA LYS 67 10.630 5.852 -8.268 568 HB2 LYS 67 2HB LYS 67 10.480 3.520 -6.339 569 HB3 LYS 67 1HB LYS 67 9.055 4.360 -6.949 570 HG2 LYS 67 2HG LYS 67 9.799 3.862 -9.276 571 HG3 LYS 67 1HG LYS 67 11.146 2.932 -8.616 572 HD2 LYS 67 2HD LYS 67 9.519 1.473 -7.425 573 HD3 LYS 67 1HD LYS 67 8.199 2.367 -8.180 574 HE2 LYS 67 2HE LYS 67 10.361 0.842 -9.664 575 HE3 LYS 67 1HE LYS 67 8.699 0.298 -9.435 576 HZ1 LYS 67 3HZ LYS 67 8.664 2.910 -10.454 577 HZ2 LYS 67 1HZ LYS 67 8.092 1.489 -11.180 578 HZ3 LYS 67 2HZ LYS 67 9.701 1.978 -11.424 579 H TYR 68 H TYR 68 11.471 5.064 -4.884 580 HA TYR 68 HA TYR 68 9.788 6.866 -3.562 581 HB2 TYR 68 2HB TYR 68 11.018 5.417 -2.161 582 HB3 TYR 68 1HB TYR 68 12.540 5.785 -2.961 583 HD1 TYR 68 1HD TYR 68 13.633 8.016 -2.602 584 HD2 TYR 68 2HD TYR 68 10.257 6.720 -0.286 585 HE1 TYR 68 1HE TYR 68 14.141 9.742 -0.900 586 HE2 TYR 68 2HE TYR 68 10.766 8.446 1.417 587 HH TYR 68 HH TYR 68 12.883 9.726 2.164 588 H ALA 69 H ALA 69 12.969 7.466 -5.014 589 HA ALA 69 HA ALA 69 13.374 10.129 -4.223 590 HB1 ALA 69 1HB ALA 69 15.113 9.007 -5.428 591 HB2 ALA 69 2HB ALA 69 14.585 10.324 -6.475 592 HB3 ALA 69 3HB ALA 69 14.048 8.673 -6.792 593 H GLU 70 H GLU 70 11.314 8.811 -6.764 594 HA GLU 70 HA GLU 70 10.452 11.517 -7.616 595 HB2 GLU 70 2HB GLU 70 9.911 8.709 -8.607 596 HB3 GLU 70 1HB GLU 70 9.061 10.116 -9.248 597 HG2 GLU 70 2HG GLU 70 11.180 11.131 -9.922 598 HG3 GLU 70 1HG GLU 70 12.076 9.794 -9.202 599 H TYR 71 H TYR 71 8.877 8.482 -6.543 600 HA TYR 71 HA TYR 71 6.379 9.861 -5.987 601 HB2 TYR 71 2HB TYR 71 7.275 7.047 -5.344 602 HB3 TYR 71 1HB TYR 71 5.625 7.649 -5.214 603 HD1 TYR 71 2HD TYR 71 4.376 8.374 -7.238 604 HD2 TYR 71 1HD TYR 71 8.240 6.518 -7.498 605 HE1 TYR 71 2HE TYR 71 4.000 7.927 -9.648 606 HE2 TYR 71 1HE TYR 71 7.865 6.071 -9.907 607 HH TYR 71 HH TYR 71 6.334 6.059 -11.556 608 H GLY 72 H GLY 72 8.949 8.455 -3.944 609 HA2 GLY 72 2HA GLY 72 9.555 9.277 -1.770 610 HA3 GLY 72 1HA GLY 72 8.083 10.250 -1.748 611 HA PRO 73 HA PRO 73 7.442 6.569 1.026 612 HB2 PRO 73 2HB PRO 73 5.786 8.552 2.523 613 HB3 PRO 73 1HB PRO 73 7.047 7.457 3.128 614 HG2 PRO 73 2HG PRO 73 7.480 10.095 2.892 615 HG3 PRO 73 1HG PRO 73 8.761 8.912 2.572 616 HD2 PRO 73 2HD PRO 73 7.086 10.449 0.594 617 HD3 PRO 73 1HD PRO 73 8.817 10.044 0.525 618 H LYS 74 H LYS 74 5.833 7.614 -1.416 619 HA LYS 74 HA LYS 74 3.046 7.146 -0.584 620 HB2 LYS 74 2HB LYS 74 4.403 7.630 -3.237 621 HB3 LYS 74 1HB LYS 74 2.685 7.267 -3.116 622 HG2 LYS 74 2HG LYS 74 2.343 9.220 -1.681 623 HG3 LYS 74 1HG LYS 74 4.074 9.564 -1.703 624 HD2 LYS 74 2HD LYS 74 4.021 9.994 -4.086 625 HD3 LYS 74 1HD LYS 74 2.340 9.471 -4.187 626 HE2 LYS 74 2HE LYS 74 3.280 11.809 -2.504 627 HE3 LYS 74 1HE LYS 74 2.617 11.971 -4.130 628 HZ1 LYS 74 3HZ LYS 74 0.926 12.285 -2.420 629 HZ2 LYS 74 1HZ LYS 74 1.221 10.725 -1.823 630 HZ3 LYS 74 2HZ LYS 74 0.583 10.929 -3.385 631 H TRP 75 H TRP 75 3.951 4.965 0.304 632 HA TRP 75 HA TRP 75 4.747 2.850 -1.334 633 HB2 TRP 75 2HB TRP 75 2.829 2.416 0.944 634 HB3 TRP 75 1HB TRP 75 4.211 1.432 0.472 635 HD1 TRP 75 HD TRP 75 3.264 3.677 3.076 636 HE1 TRP 75 1HE TRP 75 5.292 4.791 4.205 637 HE3 TRP 75 3HE TRP 75 6.879 2.744 -0.423 638 HZ2 TRP 75 2HZ TRP 75 8.059 5.241 3.703 639 HZ3 TRP 75 3HZ TRP 75 9.189 3.538 -0.069 640 HH2 TRP 75 HH TRP 75 9.789 4.784 1.984 641 H ASN 76 H ASN 76 1.877 4.550 -1.517 642 HA ASN 76 HA ASN 76 0.086 2.407 -2.289 643 HB2 ASN 76 2HB ASN 76 -0.675 4.674 -1.505 644 HB3 ASN 76 1HB ASN 76 -0.079 5.347 -3.023 645 HD21 ASN 76 1HD2 ASN 76 -2.448 5.930 -3.382 646 HD22 ASN 76 2HD2 ASN 76 -3.480 4.743 -4.019 647 H LYS 77 H LYS 77 2.322 4.561 -3.961 648 HA LYS 77 HA LYS 77 1.554 3.543 -6.619 649 HB2 LYS 77 2HB LYS 77 3.874 5.304 -5.770 650 HB3 LYS 77 1HB LYS 77 3.350 5.018 -7.426 651 HG2 LYS 77 2HG LYS 77 1.468 6.169 -5.347 652 HG3 LYS 77 1HG LYS 77 2.548 7.201 -6.279 653 HD2 LYS 77 2HD LYS 77 1.557 6.173 -8.383 654 HD3 LYS 77 1HD LYS 77 0.350 5.408 -7.349 655 HE2 LYS 77 2HE LYS 77 -0.370 7.600 -6.526 656 HE3 LYS 77 1HE LYS 77 0.869 8.390 -7.501 657 HZ1 LYS 77 3HZ LYS 77 -0.193 7.790 -9.469 658 HZ2 LYS 77 1HZ LYS 77 -1.465 8.266 -8.455 659 HZ3 LYS 77 2HZ LYS 77 -1.159 6.615 -8.714 660 H ILE 78 H ILE 78 4.145 3.190 -4.250 661 HA ILE 78 HA ILE 78 5.857 1.578 -5.898 662 HB ILE 78 HB ILE 78 5.676 1.405 -2.883 663 HG12 ILE 78 2HG1 ILE 78 5.632 3.766 -3.339 664 HG13 ILE 78 1HG1 ILE 78 7.283 3.357 -2.883 665 HG21 ILE 78 1HG2 ILE 78 8.077 1.375 -4.732 666 HG22 ILE 78 2HG2 ILE 78 7.243 -0.085 -4.197 667 HG23 ILE 78 3HG2 ILE 78 8.040 0.957 -3.018 668 HD11 ILE 78 3HD1 ILE 78 7.745 3.117 -5.403 669 HD12 ILE 78 1HD1 ILE 78 7.499 4.753 -4.796 670 HD13 ILE 78 2HD1 ILE 78 6.197 3.924 -5.646 671 H SER 79 H SER 79 3.578 0.684 -3.280 672 HA SER 79 HA SER 79 3.785 -2.100 -3.464 673 HB2 SER 79 2HB SER 79 2.362 -0.778 -1.836 674 HB3 SER 79 1HB SER 79 1.157 -0.645 -3.115 675 HG SER 79 HG SER 79 1.545 -3.086 -3.188 676 H LYS 80 H LYS 80 2.363 0.056 -5.797 677 HA LYS 80 HA LYS 80 0.810 -2.022 -7.139 678 HB2 LYS 80 2HB LYS 80 1.630 0.791 -7.909 679 HB3 LYS 80 1HB LYS 80 0.729 -0.262 -8.999 680 HG2 LYS 80 2HG LYS 80 -1.083 -0.466 -7.385 681 HG3 LYS 80 1HG LYS 80 -0.164 0.443 -6.190 682 HD2 LYS 80 2HD LYS 80 -1.740 1.972 -7.184 683 HD3 LYS 80 1HD LYS 80 -0.143 2.391 -7.798 684 HE2 LYS 80 2HE LYS 80 -0.584 1.454 -9.926 685 HE3 LYS 80 1HE LYS 80 -1.949 0.509 -9.329 686 HZ1 LYS 80 3HZ LYS 80 -2.081 3.415 -9.065 687 HZ2 LYS 80 1HZ LYS 80 -3.322 2.295 -9.352 688 HZ3 LYS 80 2HZ LYS 80 -2.285 2.755 -10.617 689 H PHE 81 H PHE 81 4.095 -0.996 -7.112 690 HA PHE 81 HA PHE 81 4.696 -2.171 -9.757 691 HB2 PHE 81 2HB PHE 81 6.234 -0.678 -7.636 692 HB3 PHE 81 1HB PHE 81 7.132 -1.649 -8.800 693 HD1 PHE 81 2HD PHE 81 6.654 -1.269 -11.306 694 HD2 PHE 81 1HD PHE 81 5.477 1.494 -8.235 695 HE1 PHE 81 2HE PHE 81 6.439 0.527 -13.002 696 HE2 PHE 81 1HE PHE 81 5.262 3.289 -9.931 697 HZ PHE 81 HZ PHE 81 5.743 2.806 -12.315 698 H LEU 82 H LEU 82 4.399 -3.096 -6.510 699 HA LEU 82 HA LEU 82 6.144 -5.503 -6.789 700 HB2 LEU 82 2HB LEU 82 4.699 -4.157 -4.501 701 HB3 LEU 82 1HB LEU 82 5.355 -5.782 -4.330 702 HG LEU 82 HG LEU 82 7.597 -5.047 -4.619 703 HD11 LEU 82 1HD1 LEU 82 7.432 -3.592 -6.535 704 HD12 LEU 82 2HD1 LEU 82 8.132 -2.647 -5.230 705 HD13 LEU 82 3HD1 LEU 82 6.435 -2.448 -5.644 706 HD21 LEU 82 3HD2 LEU 82 6.051 -2.973 -3.034 707 HD22 LEU 82 1HD2 LEU 82 7.808 -3.100 -3.012 708 HD23 LEU 82 2HD2 LEU 82 6.826 -4.433 -2.427 709 H LYS 83 H LYS 83 2.834 -4.830 -5.587 710 HA LYS 83 HA LYS 83 0.839 -5.968 -5.930 711 HB2 LYS 83 2HB LYS 83 1.987 -6.051 -8.351 712 HB3 LYS 83 1HB LYS 83 2.088 -7.770 -7.999 713 HG2 LYS 83 2HG LYS 83 -0.320 -7.898 -7.664 714 HG3 LYS 83 1HG LYS 83 -0.482 -6.153 -7.840 715 HD2 LYS 83 2HD LYS 83 0.565 -8.007 -10.003 716 HD3 LYS 83 1HD LYS 83 -1.087 -7.405 -9.920 717 HE2 LYS 83 2HE LYS 83 0.145 -5.027 -9.799 718 HE3 LYS 83 1HE LYS 83 1.431 -5.922 -10.612 719 HZ1 LYS 83 3HZ LYS 83 -0.525 -6.743 -12.087 720 HZ2 LYS 83 1HZ LYS 83 0.177 -5.226 -12.372 721 HZ3 LYS 83 2HZ LYS 83 -1.294 -5.334 -11.530 722 H ASN 84 H ASN 84 3.506 -7.033 -4.591 723 HA ASN 84 HA ASN 84 2.375 -9.711 -3.869 724 HB2 ASN 84 2HB ASN 84 5.248 -8.841 -4.254 725 HB3 ASN 84 1HB ASN 84 4.814 -10.311 -3.381 726 HD21 ASN 84 1HD2 ASN 84 3.498 -8.828 -6.402 727 HD22 ASN 84 2HD2 ASN 84 3.706 -10.222 -7.348 728 H ARG 85 H ARG 85 3.630 -6.650 -2.838 729 HA ARG 85 HA ARG 85 3.330 -7.490 0.053 730 HB2 ARG 85 2HB ARG 85 5.152 -5.414 -1.178 731 HB3 ARG 85 1HB ARG 85 4.928 -5.650 0.544 732 HG2 ARG 85 2HG ARG 85 6.773 -7.027 0.287 733 HG3 ARG 85 1HG ARG 85 5.546 -8.209 -0.123 734 HD2 ARG 85 2HD ARG 85 5.854 -7.300 -2.571 735 HD3 ARG 85 1HD ARG 85 7.390 -6.689 -1.958 736 HE ARG 85 HE ARG 85 7.006 -9.477 -1.270 737 HH11 ARG 85 1HH2 ARG 85 7.867 -7.248 -3.758 738 HH12 ARG 85 2HH2 ARG 85 8.867 -8.380 -4.608 739 HH21 ARG 85 1HH1 ARG 85 8.307 -10.965 -2.366 740 HH22 ARG 85 2HH1 ARG 85 9.116 -10.483 -3.820 741 H SER 86 H SER 86 2.819 -5.551 1.445 742 HA SER 86 HA SER 86 0.769 -3.824 0.111 743 HB2 SER 86 2HB SER 86 0.857 -5.100 2.852 744 HB3 SER 86 1HB SER 86 -0.230 -3.769 2.470 745 HG SER 86 HG SER 86 -1.139 -5.890 2.145 746 H ASP 87 H ASP 87 0.503 -1.754 1.229 747 HA ASP 87 HA ASP 87 2.954 -0.373 1.480 748 HB2 ASP 87 2HB ASP 87 1.493 1.433 2.576 749 HB3 ASP 87 1HB ASP 87 1.003 0.913 0.960 750 H ASN 88 H ASN 88 0.828 -1.805 3.897 751 HA ASN 88 HA ASN 88 2.138 -0.825 6.224 752 HB2 ASN 88 2HB ASN 88 0.619 -3.393 5.694 753 HB3 ASN 88 1HB ASN 88 1.225 -2.959 7.293 754 HD21 ASN 88 1HD2 ASN 88 -0.527 -2.176 8.476 755 HD22 ASN 88 2HD2 ASN 88 -1.671 -1.065 7.896 756 H ASN 89 H ASN 89 2.989 -3.390 3.966 757 HA ASN 89 HA ASN 89 5.081 -4.482 5.716 758 HB2 ASN 89 2HB ASN 89 3.678 -5.711 3.903 759 HB3 ASN 89 1HB ASN 89 4.766 -4.957 2.746 760 HD21 ASN 89 1HD2 ASN 89 5.922 -6.860 2.123 761 HD22 ASN 89 2HD2 ASN 89 6.881 -7.753 3.202 762 H ILE 90 H ILE 90 4.822 -2.459 2.824 763 HA ILE 90 HA ILE 90 7.646 -2.084 2.442 764 HB ILE 90 HB ILE 90 5.323 -0.325 1.607 765 HG12 ILE 90 2HG1 ILE 90 6.749 -2.489 0.040 766 HG13 ILE 90 1HG1 ILE 90 5.234 -2.755 0.886 767 HG21 ILE 90 1HG2 ILE 90 7.463 0.837 1.404 768 HG22 ILE 90 2HG2 ILE 90 6.899 0.379 -0.202 769 HG23 ILE 90 3HG2 ILE 90 8.171 -0.555 0.586 770 HD11 ILE 90 3HD1 ILE 90 5.761 -0.966 -1.481 771 HD12 ILE 90 1HD1 ILE 90 4.334 -0.745 -0.466 772 HD13 ILE 90 2HD1 ILE 90 4.582 -2.263 -1.314 773 H ARG 91 H ARG 91 5.150 0.111 3.739 774 HA ARG 91 HA ARG 91 6.818 2.177 4.660 775 HB2 ARG 91 2HB ARG 91 4.283 2.121 4.702 776 HB3 ARG 91 1HB ARG 91 4.392 1.104 6.128 777 HG2 ARG 91 2HG ARG 91 5.840 2.959 7.162 778 HG3 ARG 91 1HG ARG 91 5.312 3.969 5.819 779 HD2 ARG 91 2HD ARG 91 2.923 3.384 6.472 780 HD3 ARG 91 1HD ARG 91 3.592 2.674 7.941 781 HE ARG 91 HE ARG 91 3.279 5.505 7.428 782 HH11 ARG 91 1HH2 ARG 91 5.250 3.089 8.901 783 HH12 ARG 91 2HH2 ARG 91 5.885 4.156 10.109 784 HH21 ARG 91 1HH1 ARG 91 4.096 6.910 8.997 785 HH22 ARG 91 2HH1 ARG 91 5.231 6.318 10.163 786 H ASN 92 H ASN 92 6.129 -0.964 6.025 787 HA ASN 92 HA ASN 92 7.483 -0.423 8.566 788 HB2 ASN 92 2HB ASN 92 5.621 -2.022 8.453 789 HB3 ASN 92 1HB ASN 92 6.541 -3.027 7.334 790 HD21 ASN 92 1HD2 ASN 92 6.592 -4.828 8.876 791 HD22 ASN 92 2HD2 ASN 92 7.575 -4.769 10.259 792 H ARG 93 H ARG 93 8.272 -2.215 5.565 793 HA ARG 93 HA ARG 93 10.833 -3.108 6.623 794 HB2 ARG 93 2HB ARG 93 9.428 -3.218 3.977 795 HB3 ARG 93 1HB ARG 93 11.180 -3.374 3.941 796 HG2 ARG 93 2HG ARG 93 10.291 -5.594 4.093 797 HG3 ARG 93 1HG ARG 93 10.963 -5.216 5.673 798 HD2 ARG 93 2HD ARG 93 8.524 -4.420 6.237 799 HD3 ARG 93 1HD ARG 93 8.072 -5.398 4.846 800 HE ARG 93 HE ARG 93 9.686 -7.062 6.391 801 HH11 ARG 93 1HH2 ARG 93 6.838 -5.166 6.825 802 HH12 ARG 93 2HH2 ARG 93 6.162 -6.217 8.025 803 HH21 ARG 93 1HH1 ARG 93 8.820 -8.443 7.954 804 HH22 ARG 93 2HH1 ARG 93 7.284 -8.071 8.664 805 H TRP 94 H TRP 94 9.822 -0.458 4.472 806 HA TRP 94 HA TRP 94 12.463 0.537 3.986 807 HB2 TRP 94 2HB TRP 94 10.511 1.222 2.631 808 HB3 TRP 94 1HB TRP 94 9.829 2.045 4.034 809 HD1 TRP 94 HD TRP 94 12.733 2.254 1.552 810 HE1 TRP 94 1HE TRP 94 13.713 4.637 1.626 811 HE3 TRP 94 3HE TRP 94 10.094 4.171 5.482 812 HZ2 TRP 94 2HZ TRP 94 13.417 7.039 3.152 813 HZ3 TRP 94 3HZ TRP 94 10.464 6.506 6.224 814 HH2 TRP 94 HH TRP 94 12.120 7.941 5.066 815 H MET 95 H MET 95 10.102 1.120 6.559 816 HA MET 95 HA MET 95 11.593 3.275 7.787 817 HB2 MET 95 2HB MET 95 9.179 2.920 8.212 818 HB3 MET 95 1HB MET 95 9.551 1.393 9.011 819 HG2 MET 95 2HG MET 95 10.783 2.514 10.751 820 HG3 MET 95 1HG MET 95 10.704 4.052 9.890 821 HE1 MET 95 3HE MET 95 9.225 5.802 11.175 822 HE2 MET 95 1HE MET 95 10.133 4.750 12.270 823 HE3 MET 95 2HE MET 95 8.459 5.167 12.628 824 H MET 96 H MET 96 11.643 -0.235 8.048 825 HA MET 96 HA MET 96 13.376 -0.234 10.409 826 HB2 MET 96 2HB MET 96 11.781 -2.102 9.874 827 HB3 MET 96 1HB MET 96 12.765 -2.487 8.464 828 HG2 MET 96 2HG MET 96 14.014 -2.354 11.215 829 HG3 MET 96 1HG MET 96 13.201 -3.816 10.662 830 HE1 MET 96 3HE MET 96 13.668 -4.641 8.034 831 HE2 MET 96 1HE MET 96 14.220 -5.578 9.431 832 HE3 MET 96 2HE MET 96 15.277 -5.359 8.038 833 H ILE 97 H ILE 97 13.705 -0.446 6.909 834 HA ILE 97 HA ILE 97 16.586 -0.997 7.058 835 HB ILE 97 HB ILE 97 14.769 -0.327 4.721 836 HG12 ILE 97 2HG1 ILE 97 16.066 -2.967 5.465 837 HG13 ILE 97 1HG1 ILE 97 14.432 -2.531 5.966 838 HG21 ILE 97 1HG2 ILE 97 17.694 -1.110 4.861 839 HG22 ILE 97 2HG2 ILE 97 17.000 0.328 4.113 840 HG23 ILE 97 3HG2 ILE 97 16.735 -1.256 3.389 841 HD11 ILE 97 3HD1 ILE 97 13.685 -2.376 3.689 842 HD12 ILE 97 1HD1 ILE 97 14.568 -3.895 3.830 843 HD13 ILE 97 2HD1 ILE 97 15.334 -2.498 3.075 844 H ALA 98 H ALA 98 14.429 1.742 6.598 845 HA ALA 98 HA ALA 98 16.536 3.578 5.787 846 HB1 ALA 98 1HB ALA 98 14.184 4.020 5.201 847 HB2 ALA 98 2HB ALA 98 14.831 5.332 6.185 848 HB3 ALA 98 3HB ALA 98 13.771 4.126 6.913 849 H ARG 99 H ARG 99 15.493 2.226 8.751 850 HA ARG 99 HA ARG 99 16.297 4.396 10.482 851 HB2 ARG 99 2HB ARG 99 14.719 2.720 11.292 852 HB3 ARG 99 1HB ARG 99 15.885 1.434 11.003 853 HG2 ARG 99 2HG ARG 99 15.749 2.105 13.407 854 HG3 ARG 99 1HG ARG 99 17.361 2.315 12.736 855 HD2 ARG 99 2HD ARG 99 17.152 4.667 12.661 856 HD3 ARG 99 1HD ARG 99 15.391 4.607 12.738 857 HE ARG 99 HE ARG 99 16.328 3.469 15.137 858 HH11 ARG 99 1HH2 ARG 99 16.485 6.444 13.400 859 HH12 ARG 99 2HH2 ARG 99 16.607 7.422 14.824 860 HH21 ARG 99 1HH1 ARG 99 16.487 4.729 17.005 861 HH22 ARG 99 2HH1 ARG 99 16.609 6.451 16.864 862 H HIS 100 H HIS 100 17.926 1.920 8.738 863 HA HIS 100 HA HIS 100 20.303 1.861 10.418 864 HB2 HIS 100 2HB HIS 100 19.582 -0.025 8.894 865 HB3 HIS 100 1HB HIS 100 20.023 0.996 7.526 866 HD1 HIS 100 1HD HIS 100 21.623 -0.430 10.683 867 HD2 HIS 100 2HD HIS 100 22.712 0.861 6.868 868 HE1 HIS 100 1HE HIS 100 24.095 -0.932 10.434 869 HE2 HIS 100 2HE HIS 100 24.768 -0.151 8.115 870 H ARG 101 H ARG 101 19.205 3.526 7.514 871 HA ARG 101 HA ARG 101 21.786 4.886 7.148 872 HB2 ARG 101 2HB ARG 101 19.107 5.220 5.766 873 HB3 ARG 101 1HB ARG 101 20.588 6.056 5.298 874 HG2 ARG 101 2HG ARG 101 21.687 3.952 4.798 875 HG3 ARG 101 1HG ARG 101 20.313 3.040 5.426 876 HD2 ARG 101 2HD ARG 101 20.440 3.312 2.874 877 HD3 ARG 101 1HD ARG 101 18.905 3.726 3.637 878 HE ARG 101 HE ARG 101 20.584 6.056 3.462 879 HH11 ARG 101 1HH2 ARG 101 18.633 3.875 1.640 880 HH12 ARG 101 2HH2 ARG 101 18.219 5.045 0.432 881 HH21 ARG 101 1HH1 ARG 101 20.054 7.596 1.896 882 HH22 ARG 101 2HH1 ARG 101 19.023 7.152 0.578 883 H ALA 102 H ALA 102 18.838 5.376 8.859 884 HA ALA 102 HA ALA 102 19.076 8.299 9.005 885 HB1 ALA 102 1HB ALA 102 16.888 7.013 9.140 886 HB2 ALA 102 2HB ALA 102 17.139 8.200 10.420 887 HB3 ALA 102 3HB ALA 102 17.388 6.485 10.747 888 H LYS 103 H LYS 103 21.039 6.051 10.193 889 HA LYS 103 HA LYS 103 21.146 6.792 13.013 890 HB2 LYS 103 2HB LYS 103 22.944 5.210 11.163 891 HB3 LYS 103 1HB LYS 103 23.410 5.557 12.830 892 HG2 LYS 103 2HG LYS 103 21.294 4.502 13.611 893 HG3 LYS 103 1HG LYS 103 20.910 4.089 11.940 894 HD2 LYS 103 2HD LYS 103 22.806 2.635 11.763 895 HD3 LYS 103 1HD LYS 103 23.483 3.224 13.282 896 HE2 LYS 103 2HE LYS 103 22.379 1.005 13.537 897 HE3 LYS 103 1HE LYS 103 21.622 2.249 14.531 898 HZ1 LYS 103 3HZ LYS 103 20.643 1.042 12.023 899 HZ2 LYS 103 1HZ LYS 103 20.085 2.561 12.528 900 HZ3 LYS 103 2HZ LYS 103 19.844 1.199 13.514 901 H HIS 104 H HIS 104 23.260 7.409 10.191 902 HA HIS 104 HA HIS 104 23.816 10.120 11.155 903 HB2 HIS 104 2HB HIS 104 26.233 9.822 11.371 904 HB3 HIS 104 1HB HIS 104 25.411 8.724 12.479 905 HD1 HIS 104 1HD HIS 104 27.875 8.776 9.800 906 HD2 HIS 104 2HD HIS 104 25.192 5.967 11.319 907 HE1 HIS 104 1HE HIS 104 28.641 6.516 8.945 908 HE2 HIS 104 2HE HIS 104 27.015 4.800 9.865 909 H GLN 105 H GLN 105 23.637 7.732 8.781 910 HA GLN 105 HA GLN 105 25.310 8.954 6.756 911 HB2 GLN 105 2HB GLN 105 23.046 6.943 6.653 912 HB3 GLN 105 1HB GLN 105 23.900 7.482 5.206 913 HG2 GLN 105 2HG GLN 105 26.048 6.754 6.245 914 HG3 GLN 105 1HG GLN 105 25.140 6.131 7.622 915 HE21 GLN 105 1HE2 GLN 105 26.492 4.150 6.463 916 HE22 GLN 105 2HE2 GLN 105 25.534 3.213 5.421 917 H LYS 106 H LYS 106 22.420 9.914 8.173 918 HA LYS 106 HA LYS 106 20.990 10.953 5.911 919 HB2 LYS 106 2HB LYS 106 20.045 10.673 8.227 920 HB3 LYS 106 1HB LYS 106 21.015 12.056 8.735 921 HG2 LYS 106 2HG LYS 106 19.872 13.512 7.171 922 HG3 LYS 106 1HG LYS 106 19.008 12.145 6.466 923 HD2 LYS 106 2HD LYS 106 17.936 11.727 8.680 924 HD3 LYS 106 1HD LYS 106 18.732 13.172 9.306 925 HE2 LYS 106 2HE LYS 106 17.613 14.500 7.496 926 HE3 LYS 106 1HE LYS 106 16.721 13.048 7.042 927 HZ1 LYS 106 3HZ LYS 106 15.697 12.973 9.166 928 HZ2 LYS 106 1HZ LYS 106 15.523 14.559 8.590 929 HZ3 LYS 106 2HZ LYS 106 16.693 14.209 9.772 930 H SER 107 H SER 107 23.883 11.953 7.478 931 HA SER 107 HA SER 107 23.719 14.772 6.806 932 HB2 SER 107 2HB SER 107 25.978 14.903 7.548 933 HB3 SER 107 1HB SER 107 25.232 13.679 8.571 934 HG SER 107 HG SER 107 27.364 13.380 7.158 Start of MODEL 6 1 H1 LYS 1 1HT LYS 1 -0.943 10.486 0.224 2 H2 LYS 1 2HT LYS 1 -0.209 9.193 -0.597 3 H3 LYS 1 3HT LYS 1 0.202 9.519 1.019 4 HA LYS 1 HA LYS 1 -1.239 7.642 1.016 5 HB2 LYS 1 2HB LYS 1 -1.566 9.378 2.783 6 HB3 LYS 1 1HB LYS 1 -2.799 10.131 1.772 7 HG2 LYS 1 2HG LYS 1 -4.256 8.261 1.956 8 HG3 LYS 1 1HG LYS 1 -2.975 7.217 2.570 9 HD2 LYS 1 2HD LYS 1 -4.454 7.889 4.404 10 HD3 LYS 1 1HD LYS 1 -2.857 8.599 4.629 11 HE2 LYS 1 2HE LYS 1 -3.594 10.746 3.909 12 HE3 LYS 1 1HE LYS 1 -5.091 10.095 3.242 13 HZ1 LYS 1 2HZ LYS 1 -4.388 9.986 6.121 14 HZ2 LYS 1 3HZ LYS 1 -5.886 9.614 5.411 15 HZ3 LYS 1 1HZ LYS 1 -5.333 11.218 5.431 16 H VAL 2 H VAL 2 -3.494 6.858 0.529 17 HA VAL 2 HA VAL 2 -4.136 7.405 -2.261 18 HB VAL 2 HB VAL 2 -4.297 5.141 -1.176 19 HG11 VAL 2 1HG1 VAL 2 -6.066 4.628 0.337 20 HG12 VAL 2 2HG1 VAL 2 -6.844 6.188 0.076 21 HG13 VAL 2 3HG1 VAL 2 -5.319 6.099 0.957 22 HG21 VAL 2 3HG2 VAL 2 -6.217 4.457 -2.408 23 HG22 VAL 2 1HG2 VAL 2 -5.600 5.862 -3.272 24 HG23 VAL 2 2HG2 VAL 2 -7.001 6.021 -2.215 25 H LYS 3 H LYS 3 -6.569 7.800 -2.803 26 HA LYS 3 HA LYS 3 -7.343 10.360 -1.994 27 HB2 LYS 3 2HB LYS 3 -9.067 8.055 -2.943 28 HB3 LYS 3 1HB LYS 3 -9.642 9.715 -2.795 29 HG2 LYS 3 2HG LYS 3 -7.775 10.426 -4.324 30 HG3 LYS 3 1HG LYS 3 -7.400 8.721 -4.574 31 HD2 LYS 3 2HD LYS 3 -9.652 8.325 -5.453 32 HD3 LYS 3 1HD LYS 3 -10.085 10.008 -5.149 33 HE2 LYS 3 2HE LYS 3 -9.423 9.520 -7.539 34 HE3 LYS 3 1HE LYS 3 -8.476 10.791 -6.765 35 HZ1 LYS 3 3HZ LYS 3 -6.628 9.546 -6.787 36 HZ2 LYS 3 1HZ LYS 3 -7.412 8.692 -8.024 37 HZ3 LYS 3 2HZ LYS 3 -7.452 8.103 -6.430 38 H PHE 4 H PHE 4 -8.583 7.253 -0.686 39 HA PHE 4 HA PHE 4 -10.028 8.695 1.427 40 HB2 PHE 4 2HB PHE 4 -10.466 6.315 2.268 41 HB3 PHE 4 1HB PHE 4 -11.161 6.748 0.724 42 HD1 PHE 4 1HD PHE 4 -9.875 6.149 -1.379 43 HD2 PHE 4 2HD PHE 4 -9.005 4.432 2.457 44 HE1 PHE 4 1HE PHE 4 -8.754 4.245 -2.499 45 HE2 PHE 4 2HE PHE 4 -7.871 2.523 1.337 46 HZ PHE 4 HZ PHE 4 -7.759 2.428 -1.149 47 H THR 5 H THR 5 -9.639 8.222 3.734 48 HA THR 5 HA THR 5 -6.772 8.432 4.327 49 HB THR 5 HB THR 5 -8.233 9.882 5.566 50 HG1 THR 5 1HG THR 5 -7.741 7.968 7.511 51 HG21 THR 5 3HG2 THR 5 -9.958 8.923 7.093 52 HG22 THR 5 1HG2 THR 5 -9.644 7.336 6.396 53 HG23 THR 5 2HG2 THR 5 -10.305 8.624 5.391 54 H GLU 6 H GLU 6 -5.791 7.139 6.008 55 HA GLU 6 HA GLU 6 -5.796 4.382 5.508 56 HB2 GLU 6 2HB GLU 6 -5.176 5.623 8.201 57 HB3 GLU 6 1HB GLU 6 -4.519 4.126 7.537 58 HG2 GLU 6 2HG GLU 6 -3.541 5.500 5.652 59 HG3 GLU 6 1HG GLU 6 -4.022 6.944 6.544 60 H GLU 7 H GLU 7 -7.595 6.141 8.048 61 HA GLU 7 HA GLU 7 -8.756 3.992 9.401 62 HB2 GLU 7 2HB GLU 7 -9.954 6.670 8.646 63 HB3 GLU 7 1HB GLU 7 -10.745 5.536 9.741 64 HG2 GLU 7 2HG GLU 7 -9.479 7.138 11.060 65 HG3 GLU 7 1HG GLU 7 -8.690 5.565 11.173 66 H GLU 8 H GLU 8 -9.665 5.336 6.240 67 HA GLU 8 HA GLU 8 -12.046 3.704 6.002 68 HB2 GLU 8 2HB GLU 8 -10.590 5.685 4.418 69 HB3 GLU 8 1HB GLU 8 -11.192 4.381 3.394 70 HG2 GLU 8 2HG GLU 8 -13.465 4.726 4.293 71 HG3 GLU 8 1HG GLU 8 -12.864 6.013 5.339 72 H ASP 9 H ASP 9 -8.671 3.434 4.921 73 HA ASP 9 HA ASP 9 -8.744 1.117 3.355 74 HB2 ASP 9 2HB ASP 9 -6.690 2.463 3.988 75 HB3 ASP 9 1HB ASP 9 -6.700 1.626 5.538 76 H LEU 10 H LEU 10 -9.167 1.461 6.808 77 HA LEU 10 HA LEU 10 -9.066 -1.396 7.386 78 HB2 LEU 10 2HB LEU 10 -10.527 0.548 9.178 79 HB3 LEU 10 1HB LEU 10 -9.475 -0.797 9.617 80 HG LEU 10 HG LEU 10 -8.598 1.851 8.439 81 HD11 LEU 10 1HD1 LEU 10 -9.278 1.937 10.809 82 HD12 LEU 10 2HD1 LEU 10 -7.545 2.200 10.614 83 HD13 LEU 10 3HD1 LEU 10 -8.144 0.636 11.169 84 HD21 LEU 10 3HD2 LEU 10 -6.289 0.919 8.972 85 HD22 LEU 10 1HD2 LEU 10 -7.105 0.154 7.610 86 HD23 LEU 10 2HD2 LEU 10 -7.064 -0.652 9.177 87 H LYS 11 H LYS 11 -11.539 1.042 6.708 88 HA LYS 11 HA LYS 11 -13.807 -0.652 7.186 89 HB2 LYS 11 2HB LYS 11 -13.491 1.707 5.302 90 HB3 LYS 11 1HB LYS 11 -15.030 0.974 5.753 91 HG2 LYS 11 2HG LYS 11 -14.520 1.463 8.147 92 HG3 LYS 11 1HG LYS 11 -13.054 2.300 7.631 93 HD2 LYS 11 2HD LYS 11 -14.398 3.875 6.306 94 HD3 LYS 11 1HD LYS 11 -15.872 3.030 6.780 95 HE2 LYS 11 2HE LYS 11 -13.942 4.386 8.687 96 HE3 LYS 11 1HE LYS 11 -15.500 5.038 8.178 97 HZ1 LYS 11 3HZ LYS 11 -14.980 2.605 9.781 98 HZ2 LYS 11 1HZ LYS 11 -16.481 2.906 9.051 99 HZ3 LYS 11 2HZ LYS 11 -15.876 3.979 10.222 100 H LEU 12 H LEU 12 -11.468 -0.525 4.631 101 HA LEU 12 HA LEU 12 -13.141 -1.817 2.631 102 HB2 LEU 12 2HB LEU 12 -10.233 -1.091 2.872 103 HB3 LEU 12 1HB LEU 12 -10.674 -2.312 1.684 104 HG LEU 12 HG LEU 12 -12.341 -0.705 0.726 105 HD11 LEU 12 1HD1 LEU 12 -12.655 0.675 2.753 106 HD12 LEU 12 2HD1 LEU 12 -12.158 1.663 1.381 107 HD13 LEU 12 3HD1 LEU 12 -10.987 1.232 2.622 108 HD21 LEU 12 3HD2 LEU 12 -10.061 -0.949 -0.205 109 HD22 LEU 12 1HD2 LEU 12 -9.488 0.309 0.889 110 HD23 LEU 12 2HD2 LEU 12 -10.652 0.703 -0.375 111 H GLN 13 H GLN 13 -10.421 -2.988 4.722 112 HA GLN 13 HA GLN 13 -10.598 -5.665 3.859 113 HB2 GLN 13 2HB GLN 13 -9.263 -6.246 5.687 114 HB3 GLN 13 1HB GLN 13 -8.954 -4.516 5.578 115 HG2 GLN 13 2HG GLN 13 -10.847 -4.221 7.273 116 HG3 GLN 13 1HG GLN 13 -10.778 -5.961 7.515 117 HE21 GLN 13 1HE2 GLN 13 -10.117 -4.080 9.608 118 HE22 GLN 13 2HE2 GLN 13 -8.466 -4.252 9.959 119 H GLN 14 H GLN 14 -12.674 -3.960 6.179 120 HA GLN 14 HA GLN 14 -14.140 -6.424 6.860 121 HB2 GLN 14 2HB GLN 14 -14.890 -3.541 7.363 122 HB3 GLN 14 1HB GLN 14 -15.643 -4.961 8.090 123 HG2 GLN 14 2HG GLN 14 -13.314 -5.560 8.985 124 HG3 GLN 14 1HG GLN 14 -12.828 -3.932 8.512 125 HE21 GLN 14 1HE2 GLN 14 -15.800 -5.244 10.097 126 HE22 GLN 14 2HE2 GLN 14 -15.759 -4.153 11.397 127 H LEU 15 H LEU 15 -15.119 -3.375 5.217 128 HA LEU 15 HA LEU 15 -17.630 -4.291 4.318 129 HB2 LEU 15 2HB LEU 15 -15.698 -2.357 3.008 130 HB3 LEU 15 1HB LEU 15 -17.365 -2.573 2.489 131 HG LEU 15 HG LEU 15 -16.626 -1.837 5.337 132 HD11 LEU 15 1HD1 LEU 15 -17.122 0.498 4.737 133 HD12 LEU 15 2HD1 LEU 15 -17.374 0.022 3.059 134 HD13 LEU 15 3HD1 LEU 15 -15.771 -0.113 3.780 135 HD21 LEU 15 3HD2 LEU 15 -19.039 -0.859 5.159 136 HD22 LEU 15 1HD2 LEU 15 -18.873 -2.605 5.296 137 HD23 LEU 15 2HD2 LEU 15 -19.195 -1.871 3.726 138 H VAL 16 H VAL 16 -14.504 -4.391 2.648 139 HA VAL 16 HA VAL 16 -15.363 -5.711 0.304 140 HB VAL 16 HB VAL 16 -12.717 -6.067 1.744 141 HG11 VAL 16 1HG1 VAL 16 -13.007 -7.717 0.016 142 HG12 VAL 16 2HG1 VAL 16 -11.906 -6.484 -0.597 143 HG13 VAL 16 3HG1 VAL 16 -13.590 -6.499 -1.118 144 HG21 VAL 16 3HG2 VAL 16 -11.941 -4.086 0.725 145 HG22 VAL 16 1HG2 VAL 16 -13.601 -3.627 1.098 146 HG23 VAL 16 2HG2 VAL 16 -13.178 -4.127 -0.529 147 H MET 17 H MET 17 -14.493 -7.015 3.522 148 HA MET 17 HA MET 17 -14.513 -9.761 2.803 149 HB2 MET 17 2HB MET 17 -13.864 -8.748 5.056 150 HB3 MET 17 1HB MET 17 -15.586 -8.647 5.412 151 HG2 MET 17 2HG MET 17 -15.740 -11.111 4.901 152 HG3 MET 17 1HG MET 17 -13.979 -11.136 4.819 153 HE1 MET 17 3HE MET 17 -13.563 -12.841 6.816 154 HE2 MET 17 1HE MET 17 -15.294 -13.045 6.519 155 HE3 MET 17 2HE MET 17 -14.691 -12.899 8.167 156 H ARG 18 H ARG 18 -17.144 -7.499 3.537 157 HA ARG 18 HA ARG 18 -19.211 -9.533 3.515 158 HB2 ARG 18 2HB ARG 18 -19.512 -7.337 4.625 159 HB3 ARG 18 1HB ARG 18 -19.410 -6.537 3.059 160 HG2 ARG 18 2HG ARG 18 -21.756 -6.796 3.743 161 HG3 ARG 18 1HG ARG 18 -21.431 -7.756 2.305 162 HD2 ARG 18 2HD ARG 18 -21.123 -9.071 4.995 163 HD3 ARG 18 1HD ARG 18 -22.746 -8.817 4.357 164 HE ARG 18 HE ARG 18 -21.053 -10.018 2.355 165 HH11 ARG 18 1HH2 ARG 18 -22.807 -10.584 5.269 166 HH12 ARG 18 2HH2 ARG 18 -23.088 -12.260 4.932 167 HH21 ARG 18 1HH1 ARG 18 -21.409 -12.202 1.898 168 HH22 ARG 18 2HH1 ARG 18 -22.296 -13.175 3.023 169 H TYR 19 H TYR 19 -17.610 -7.593 1.072 170 HA TYR 19 HA TYR 19 -19.527 -8.500 -1.034 171 HB2 TYR 19 2HB TYR 19 -17.207 -6.545 -1.167 172 HB3 TYR 19 1HB TYR 19 -18.354 -6.879 -2.465 173 HD1 TYR 19 1HD TYR 19 -20.911 -6.707 -1.757 174 HD2 TYR 19 2HD TYR 19 -17.681 -4.714 0.257 175 HE1 TYR 19 1HE TYR 19 -22.513 -5.084 -0.791 176 HE2 TYR 19 2HE TYR 19 -19.286 -3.092 1.219 177 HH TYR 19 HH TYR 19 -21.573 -2.194 0.621 178 H GLY 20 H GLY 20 -16.729 -9.560 0.411 179 HA2 GLY 20 2HA GLY 20 -15.357 -11.385 -0.184 180 HA3 GLY 20 1HA GLY 20 -16.182 -11.451 -1.744 181 H ALA 21 H ALA 21 -15.704 -9.500 -3.171 182 HA ALA 21 HA ALA 21 -13.691 -7.686 -3.166 183 HB1 ALA 21 1HB ALA 21 -11.739 -9.139 -4.265 184 HB2 ALA 21 2HB ALA 21 -12.501 -10.447 -3.363 185 HB3 ALA 21 3HB ALA 21 -11.880 -9.032 -2.515 186 H LYS 22 H LYS 22 -15.979 -8.000 -4.620 187 HA LYS 22 HA LYS 22 -14.949 -7.913 -7.395 188 HB2 LYS 22 2HB LYS 22 -16.668 -9.508 -8.213 189 HB3 LYS 22 1HB LYS 22 -15.500 -10.273 -7.136 190 HG2 LYS 22 2HG LYS 22 -17.100 -9.952 -5.242 191 HG3 LYS 22 1HG LYS 22 -18.281 -9.324 -6.392 192 HD2 LYS 22 2HD LYS 22 -18.180 -11.458 -7.646 193 HD3 LYS 22 1HD LYS 22 -17.035 -12.088 -6.460 194 HE2 LYS 22 2HE LYS 22 -19.801 -11.081 -5.743 195 HE3 LYS 22 1HE LYS 22 -19.431 -12.778 -6.052 196 HZ1 LYS 22 3HZ LYS 22 -18.376 -11.045 -3.897 197 HZ2 LYS 22 1HZ LYS 22 -17.652 -12.523 -4.307 198 HZ3 LYS 22 2HZ LYS 22 -19.255 -12.491 -3.746 199 H ASP 23 H ASP 23 -17.190 -6.845 -5.039 200 HA ASP 23 HA ASP 23 -18.912 -5.542 -7.118 201 HB2 ASP 23 2HB ASP 23 -19.921 -7.023 -5.243 202 HB3 ASP 23 1HB ASP 23 -19.509 -5.707 -4.151 203 H TRP 24 H TRP 24 -16.424 -4.455 -6.821 204 HA TRP 24 HA TRP 24 -16.165 -2.458 -4.797 205 HB2 TRP 24 2HB TRP 24 -15.009 -2.486 -7.601 206 HB3 TRP 24 1HB TRP 24 -14.439 -1.486 -6.259 207 HD1 TRP 24 HD TRP 24 -14.366 -5.031 -7.600 208 HE1 TRP 24 1HE TRP 24 -12.796 -6.449 -6.122 209 HE3 TRP 24 3HE TRP 24 -13.524 -1.732 -3.834 210 HZ2 TRP 24 2HZ TRP 24 -11.372 -6.200 -3.641 211 HZ3 TRP 24 3HZ TRP 24 -12.058 -2.319 -1.940 212 HH2 TRP 24 HH TRP 24 -10.993 -4.549 -1.819 213 H ILE 25 H ILE 25 -18.313 -2.626 -7.400 214 HA ILE 25 HA ILE 25 -18.503 0.212 -7.964 215 HB ILE 25 HB ILE 25 -20.746 -0.475 -8.973 216 HG12 ILE 25 2HG1 ILE 25 -19.719 -3.253 -8.309 217 HG13 ILE 25 1HG1 ILE 25 -21.072 -2.466 -7.501 218 HG21 ILE 25 1HG2 ILE 25 -18.324 -2.056 -9.888 219 HG22 ILE 25 2HG2 ILE 25 -18.601 -0.353 -10.257 220 HG23 ILE 25 3HG2 ILE 25 -19.701 -1.580 -10.881 221 HD11 ILE 25 3HD1 ILE 25 -20.882 -3.278 -10.407 222 HD12 ILE 25 1HD1 ILE 25 -22.145 -2.212 -9.791 223 HD13 ILE 25 2HD1 ILE 25 -22.021 -3.867 -9.195 224 H ARG 26 H ARG 26 -20.047 -2.048 -5.746 225 HA ARG 26 HA ARG 26 -21.964 -0.073 -4.791 226 HB2 ARG 26 2HB ARG 26 -21.341 -2.926 -4.291 227 HB3 ARG 26 1HB ARG 26 -21.862 -2.074 -2.843 228 HG2 ARG 26 2HG ARG 26 -23.817 -3.019 -3.910 229 HG3 ARG 26 1HG ARG 26 -23.878 -1.272 -4.119 230 HD2 ARG 26 2HD ARG 26 -22.944 -1.511 -6.394 231 HD3 ARG 26 1HD ARG 26 -22.876 -3.260 -6.180 232 HE ARG 26 HE ARG 26 -25.529 -2.628 -5.675 233 HH11 ARG 26 1HH2 ARG 26 -23.251 -2.060 -8.200 234 HH12 ARG 26 2HH2 ARG 26 -24.446 -2.046 -9.455 235 HH21 ARG 26 1HH1 ARG 26 -27.101 -2.611 -7.298 236 HH22 ARG 26 2HH1 ARG 26 -26.625 -2.358 -8.944 237 H ILE 27 H ILE 27 -18.936 -1.517 -3.591 238 HA ILE 27 HA ILE 27 -18.845 -0.127 -1.138 239 HB ILE 27 HB ILE 27 -16.510 -0.880 -2.918 240 HG12 ILE 27 2HG1 ILE 27 -17.810 -2.417 -0.647 241 HG13 ILE 27 1HG1 ILE 27 -18.109 -2.743 -2.353 242 HG21 ILE 27 1HG2 ILE 27 -15.319 -0.972 -0.687 243 HG22 ILE 27 2HG2 ILE 27 -16.743 -0.226 0.034 244 HG23 ILE 27 3HG2 ILE 27 -15.807 0.647 -1.179 245 HD11 ILE 27 3HD1 ILE 27 -16.414 -4.288 -1.706 246 HD12 ILE 27 1HD1 ILE 27 -15.518 -3.051 -0.827 247 HD13 ILE 27 2HD1 ILE 27 -15.566 -3.019 -2.588 248 H SER 28 H SER 28 -17.975 0.878 -4.399 249 HA SER 28 HA SER 28 -16.749 3.377 -3.561 250 HB2 SER 28 2HB SER 28 -17.800 2.406 -6.227 251 HB3 SER 28 1HB SER 28 -17.013 3.966 -6.005 252 HG SER 28 HG SER 28 -15.141 2.986 -5.649 253 H GLN 29 H GLN 29 -20.012 2.329 -4.340 254 HA GLN 29 HA GLN 29 -21.149 4.932 -4.750 255 HB2 GLN 29 2HB GLN 29 -22.294 2.285 -3.843 256 HB3 GLN 29 1HB GLN 29 -23.306 3.724 -3.913 257 HG2 GLN 29 2HG GLN 29 -21.630 2.898 -6.294 258 HG3 GLN 29 1HG GLN 29 -23.215 2.180 -6.016 259 HE21 GLN 29 1HE2 GLN 29 -21.541 5.153 -6.920 260 HE22 GLN 29 2HE2 GLN 29 -22.935 6.026 -7.343 261 H LEU 30 H LEU 30 -20.664 2.990 -1.803 262 HA LEU 30 HA LEU 30 -21.957 4.838 -0.027 263 HB2 LEU 30 2HB LEU 30 -19.602 3.097 0.746 264 HB3 LEU 30 1HB LEU 30 -20.966 3.599 1.744 265 HG LEU 30 HG LEU 30 -21.058 1.684 -0.605 266 HD11 LEU 30 1HD1 LEU 30 -20.123 0.780 1.513 267 HD12 LEU 30 2HD1 LEU 30 -21.666 0.035 1.099 268 HD13 LEU 30 3HD1 LEU 30 -21.593 1.274 2.352 269 HD21 LEU 30 3HD2 LEU 30 -23.479 1.402 0.221 270 HD22 LEU 30 1HD2 LEU 30 -23.121 2.890 -0.654 271 HD23 LEU 30 2HD2 LEU 30 -23.240 2.909 1.105 272 H MET 31 H MET 31 -18.563 4.430 -1.004 273 HA MET 31 HA MET 31 -17.965 7.190 0.043 274 HB2 MET 31 2HB MET 31 -16.201 4.743 -0.247 275 HB3 MET 31 1HB MET 31 -15.582 6.357 0.109 276 HG2 MET 31 2HG MET 31 -16.811 6.461 2.174 277 HG3 MET 31 1HG MET 31 -17.711 4.996 1.781 278 HE1 MET 31 3HE MET 31 -16.830 4.645 4.426 279 HE2 MET 31 1HE MET 31 -15.875 3.156 4.405 280 HE3 MET 31 2HE MET 31 -17.316 3.297 3.402 281 H ILE 32 H ILE 32 -18.962 7.676 -2.209 282 HA ILE 32 HA ILE 32 -17.594 7.011 -4.606 283 HB ILE 32 HB ILE 32 -18.609 9.173 -5.494 284 HG12 ILE 32 2HG1 ILE 32 -20.333 10.210 -3.965 285 HG13 ILE 32 1HG1 ILE 32 -19.641 9.297 -2.633 286 HG21 ILE 32 1HG2 ILE 32 -19.772 7.014 -5.626 287 HG22 ILE 32 2HG2 ILE 32 -20.918 8.317 -5.314 288 HG23 ILE 32 3HG2 ILE 32 -20.416 7.252 -4.001 289 HD11 ILE 32 3HD1 ILE 32 -18.877 11.792 -3.133 290 HD12 ILE 32 1HD1 ILE 32 -17.796 11.005 -4.281 291 HD13 ILE 32 2HD1 ILE 32 -17.720 10.594 -2.567 292 H THR 33 H THR 33 -16.339 8.607 -1.995 293 HA THR 33 HA THR 33 -14.834 10.701 -3.288 294 HB THR 33 HB THR 33 -13.548 10.782 -1.224 295 HG1 THR 33 1HG THR 33 -13.166 8.663 -0.808 296 HG21 THR 33 3HG2 THR 33 -16.430 10.066 -0.618 297 HG22 THR 33 1HG2 THR 33 -15.880 11.643 -1.184 298 HG23 THR 33 2HG2 THR 33 -15.363 11.042 0.391 299 H ARG 34 H ARG 34 -14.735 7.473 -3.823 300 HA ARG 34 HA ARG 34 -11.975 7.619 -4.891 301 HB2 ARG 34 2HB ARG 34 -11.189 5.661 -3.741 302 HB3 ARG 34 1HB ARG 34 -11.855 6.737 -2.517 303 HG2 ARG 34 2HG ARG 34 -14.077 5.395 -2.878 304 HG3 ARG 34 1HG ARG 34 -13.038 4.188 -3.632 305 HD2 ARG 34 2HD ARG 34 -11.737 3.953 -1.596 306 HD3 ARG 34 1HD ARG 34 -12.601 5.293 -0.840 307 HE ARG 34 HE ARG 34 -14.318 3.072 -1.705 308 HH11 ARG 34 1HH2 ARG 34 -12.402 4.510 0.782 309 HH12 ARG 34 2HH2 ARG 34 -13.233 3.702 2.069 310 HH21 ARG 34 1HH1 ARG 34 -15.409 2.014 -0.034 311 HH22 ARG 34 2HH1 ARG 34 -14.931 2.289 1.608 312 H ASN 35 H ASN 35 -11.758 6.334 -6.739 313 HA ASN 35 HA ASN 35 -14.242 5.306 -7.855 314 HB2 ASN 35 2HB ASN 35 -11.471 5.055 -9.033 315 HB3 ASN 35 1HB ASN 35 -13.009 5.011 -9.892 316 HD21 ASN 35 1HD2 ASN 35 -14.276 7.232 -8.522 317 HD22 ASN 35 2HD2 ASN 35 -13.459 8.649 -8.977 318 HA PRO 36 HA PRO 36 -14.086 0.998 -6.704 319 HB2 PRO 36 2HB PRO 36 -14.089 0.488 -9.682 320 HB3 PRO 36 1HB PRO 36 -15.053 -0.292 -8.412 321 HG2 PRO 36 2HG PRO 36 -16.120 1.581 -9.969 322 HG3 PRO 36 1HG PRO 36 -16.521 1.489 -8.243 323 HD2 PRO 36 2HD PRO 36 -14.814 3.491 -9.660 324 HD3 PRO 36 1HD PRO 36 -15.754 3.658 -8.159 325 H ARG 37 H ARG 37 -12.034 2.052 -9.392 326 HA ARG 37 HA ARG 37 -10.125 -0.090 -9.200 327 HB2 ARG 37 2HB ARG 37 -9.910 2.698 -10.362 328 HB3 ARG 37 1HB ARG 37 -8.670 1.457 -10.542 329 HG2 ARG 37 2HG ARG 37 -10.326 -0.034 -11.619 330 HG3 ARG 37 1HG ARG 37 -11.552 1.225 -11.461 331 HD2 ARG 37 2HD ARG 37 -10.199 2.733 -12.860 332 HD3 ARG 37 1HD ARG 37 -8.956 1.490 -13.007 333 HE ARG 37 HE ARG 37 -11.385 0.339 -13.883 334 HH11 ARG 37 1HH2 ARG 37 -9.208 2.891 -14.684 335 HH12 ARG 37 2HH2 ARG 37 -9.550 2.829 -16.381 336 HH21 ARG 37 1HH1 ARG 37 -11.843 0.244 -16.094 337 HH22 ARG 37 2HH1 ARG 37 -11.041 1.330 -17.179 338 H GLN 38 H GLN 38 -10.519 2.948 -7.503 339 HA GLN 38 HA GLN 38 -7.811 3.084 -6.497 340 HB2 GLN 38 2HB GLN 38 -10.380 4.357 -5.535 341 HB3 GLN 38 1HB GLN 38 -8.790 4.732 -4.877 342 HG2 GLN 38 2HG GLN 38 -9.431 4.962 -7.828 343 HG3 GLN 38 1HG GLN 38 -9.630 6.305 -6.705 344 HE21 GLN 38 1HE2 GLN 38 -7.816 6.894 -8.585 345 HE22 GLN 38 2HE2 GLN 38 -6.222 6.714 -8.033 346 H CYS 39 H CYS 39 -10.852 1.723 -5.154 347 HA CYS 39 HA CYS 39 -9.446 0.976 -2.681 348 HB2 CYS 39 2HB CYS 39 -11.772 -0.133 -2.310 349 HB3 CYS 39 1HB CYS 39 -11.669 1.616 -2.316 350 HG CYS 39 HG CYS 39 -13.106 1.679 -4.321 351 H ARG 40 H ARG 40 -10.161 -0.396 -5.783 352 HA ARG 40 HA ARG 40 -9.945 -3.187 -4.988 353 HB2 ARG 40 2HB ARG 40 -11.036 -2.668 -7.085 354 HB3 ARG 40 1HB ARG 40 -9.637 -1.758 -7.639 355 HG2 ARG 40 2HG ARG 40 -9.773 -4.005 -8.696 356 HG3 ARG 40 1HG ARG 40 -8.298 -3.815 -7.758 357 HD2 ARG 40 2HD ARG 40 -9.148 -5.153 -5.979 358 HD3 ARG 40 1HD ARG 40 -10.794 -5.060 -6.595 359 HE ARG 40 HE ARG 40 -9.231 -6.279 -8.607 360 HH11 ARG 40 1HH2 ARG 40 -10.252 -6.797 -5.353 361 HH12 ARG 40 2HH2 ARG 40 -10.239 -8.524 -5.485 362 HH21 ARG 40 1HH1 ARG 40 -9.209 -8.530 -8.795 363 HH22 ARG 40 2HH1 ARG 40 -9.649 -9.505 -7.432 364 H GLU 41 H GLU 41 -7.746 -0.633 -5.988 365 HA GLU 41 HA GLU 41 -5.434 -2.314 -6.310 366 HB2 GLU 41 2HB GLU 41 -5.801 0.646 -5.796 367 HB3 GLU 41 1HB GLU 41 -4.196 -0.079 -5.899 368 HG2 GLU 41 2HG GLU 41 -6.290 -0.414 -8.062 369 HG3 GLU 41 1HG GLU 41 -5.095 0.882 -8.079 370 H ARG 42 H ARG 42 -7.130 -0.995 -3.601 371 HA ARG 42 HA ARG 42 -4.966 -1.134 -1.681 372 HB2 ARG 42 2HB ARG 42 -7.110 0.165 -1.417 373 HB3 ARG 42 1HB ARG 42 -7.955 -1.359 -1.197 374 HG2 ARG 42 2HG ARG 42 -5.581 -0.921 0.582 375 HG3 ARG 42 1HG ARG 42 -6.970 0.112 0.884 376 HD2 ARG 42 2HD ARG 42 -8.406 -1.755 1.287 377 HD3 ARG 42 1HD ARG 42 -7.227 -2.898 0.667 378 HE ARG 42 HE ARG 42 -5.967 -1.621 2.815 379 HH11 ARG 42 1HH2 ARG 42 -8.824 -3.454 2.203 380 HH12 ARG 42 2HH2 ARG 42 -8.865 -4.169 3.780 381 HH21 ARG 42 1HH1 ARG 42 -6.003 -2.552 4.881 382 HH22 ARG 42 2HH1 ARG 42 -7.271 -3.659 5.295 383 H TRP 43 H TRP 43 -7.777 -3.265 -2.214 384 HA TRP 43 HA TRP 43 -7.159 -5.310 -0.444 385 HB2 TRP 43 2HB TRP 43 -9.103 -6.048 -1.380 386 HB3 TRP 43 1HB TRP 43 -8.890 -4.919 -2.703 387 HD1 TRP 43 HD TRP 43 -7.278 -5.883 -4.766 388 HE1 TRP 43 1HE TRP 43 -7.326 -8.229 -5.822 389 HE3 TRP 43 3HE TRP 43 -9.534 -8.472 -1.003 390 HZ2 TRP 43 2HZ TRP 43 -8.217 -10.864 -5.156 391 HZ3 TRP 43 3HZ TRP 43 -9.978 -10.899 -1.239 392 HH2 TRP 43 HH TRP 43 -9.323 -12.098 -3.308 393 H ASN 44 H ASN 44 -5.921 -5.178 -3.822 394 HA ASN 44 HA ASN 44 -4.288 -7.533 -3.426 395 HB2 ASN 44 2HB ASN 44 -4.015 -5.249 -5.415 396 HB3 ASN 44 1HB ASN 44 -3.091 -6.749 -5.484 397 HD21 ASN 44 1HD2 ASN 44 -5.768 -5.306 -6.818 398 HD22 ASN 44 2HD2 ASN 44 -6.685 -6.687 -7.185 399 H ASN 45 H ASN 45 -3.886 -4.168 -2.618 400 HA ASN 45 HA ASN 45 -0.985 -4.593 -1.967 401 HB2 ASN 45 2HB ASN 45 -2.641 -2.070 -2.265 402 HB3 ASN 45 1HB ASN 45 -0.948 -2.100 -1.779 403 HD21 ASN 45 1HD2 ASN 45 -2.780 -1.539 -4.450 404 HD22 ASN 45 2HD2 ASN 45 -1.727 -2.093 -5.660 405 H TYR 46 H TYR 46 -3.591 -5.321 -0.351 406 HA TYR 46 HA TYR 46 -2.457 -4.396 2.222 407 HB2 TYR 46 2HB TYR 46 -4.471 -2.910 1.130 408 HB3 TYR 46 1HB TYR 46 -5.418 -4.062 2.052 409 HD1 TYR 46 1HD TYR 46 -4.319 -4.548 4.504 410 HD2 TYR 46 2HD TYR 46 -3.884 -0.922 2.247 411 HE1 TYR 46 1HE TYR 46 -3.824 -3.315 6.592 412 HE2 TYR 46 2HE TYR 46 -3.389 0.314 4.337 413 HH TYR 46 HH TYR 46 -3.903 -1.036 7.440 414 H ILE 47 H ILE 47 -5.347 -6.133 0.915 415 HA ILE 47 HA ILE 47 -4.445 -8.513 2.429 416 HB ILE 47 HB ILE 47 -6.271 -8.765 3.841 417 HG12 ILE 47 2HG1 ILE 47 -8.097 -8.617 2.173 418 HG13 ILE 47 1HG1 ILE 47 -8.463 -7.695 3.611 419 HG21 ILE 47 1HG2 ILE 47 -6.100 -5.760 3.528 420 HG22 ILE 47 2HG2 ILE 47 -5.056 -6.766 4.530 421 HG23 ILE 47 3HG2 ILE 47 -6.767 -6.611 4.918 422 HD11 ILE 47 3HD1 ILE 47 -8.392 -6.757 0.917 423 HD12 ILE 47 1HD1 ILE 47 -7.127 -5.914 1.808 424 HD13 ILE 47 2HD1 ILE 47 -8.786 -5.861 2.373 425 H ASN 48 H ASN 48 -4.424 -10.082 1.038 426 HA ASN 48 HA ASN 48 -6.696 -10.974 -0.419 427 HB2 ASN 48 2HB ASN 48 -6.557 -9.818 -2.371 428 HB3 ASN 48 1HB ASN 48 -5.221 -8.899 -1.720 429 HD21 ASN 48 1HD2 ASN 48 -3.252 -9.124 -2.810 430 HD22 ASN 48 2HD2 ASN 48 -2.884 -10.381 -3.890 431 HA PRO 49 HA PRO 49 -3.049 -13.866 -1.089 432 HB2 PRO 49 2HB PRO 49 -0.513 -12.948 -1.245 433 HB3 PRO 49 1HB PRO 49 -1.693 -12.623 -2.532 434 HG2 PRO 49 2HG PRO 49 -0.543 -10.756 -0.565 435 HG3 PRO 49 1HG PRO 49 -1.358 -10.405 -2.095 436 HD2 PRO 49 2HD PRO 49 -2.508 -10.430 0.628 437 HD3 PRO 49 1HD PRO 49 -3.216 -9.797 -0.865 438 H ALA 50 H ALA 50 -2.902 -11.843 1.661 439 HA ALA 50 HA ALA 50 -2.339 -12.331 3.886 440 HB1 ALA 50 1HB ALA 50 -3.020 -14.766 3.015 441 HB2 ALA 50 2HB ALA 50 -2.220 -14.562 4.572 442 HB3 ALA 50 3HB ALA 50 -1.289 -15.066 3.165 443 H LEU 51 H LEU 51 -0.692 -10.785 2.686 444 HA LEU 51 HA LEU 51 2.051 -11.877 2.579 445 HB2 LEU 51 2HB LEU 51 2.495 -9.309 2.048 446 HB3 LEU 51 1HB LEU 51 1.782 -10.356 0.827 447 HG LEU 51 HG LEU 51 -0.473 -9.575 1.450 448 HD11 LEU 51 1HD1 LEU 51 -0.568 -7.533 2.988 449 HD12 LEU 51 2HD1 LEU 51 1.065 -7.964 3.496 450 HD13 LEU 51 3HD1 LEU 51 -0.271 -9.080 3.778 451 HD21 LEU 51 3HD2 LEU 51 1.328 -7.192 1.063 452 HD22 LEU 51 1HD2 LEU 51 -0.314 -7.413 0.468 453 HD23 LEU 51 2HD2 LEU 51 1.006 -8.353 -0.224 454 H ARG 52 H ARG 52 0.586 -11.748 5.151 455 HA ARG 52 HA ARG 52 1.459 -9.589 6.774 456 HB2 ARG 52 2HB ARG 52 1.148 -12.492 7.602 457 HB3 ARG 52 1HB ARG 52 1.107 -11.089 8.671 458 HG2 ARG 52 2HG ARG 52 -0.868 -10.237 7.378 459 HG3 ARG 52 1HG ARG 52 -0.870 -11.749 6.469 460 HD2 ARG 52 2HD ARG 52 -2.462 -11.971 8.277 461 HD3 ARG 52 1HD ARG 52 -1.066 -12.978 8.659 462 HE ARG 52 HE ARG 52 -0.656 -11.587 10.514 463 HH11 ARG 52 1HH2 ARG 52 -2.672 -10.053 8.174 464 HH12 ARG 52 2HH2 ARG 52 -2.979 -8.661 9.157 465 HH21 ARG 52 1HH1 ARG 52 -1.047 -9.777 11.810 466 HH22 ARG 52 2HH1 ARG 52 -2.059 -8.504 11.215 467 H THR 53 H THR 53 3.320 -11.793 5.079 468 HA THR 53 HA THR 53 5.754 -10.979 6.530 469 HB THR 53 HB THR 53 5.320 -12.927 7.820 470 HG1 THR 53 1HG THR 53 6.865 -14.453 6.905 471 HG21 THR 53 3HG2 THR 53 4.539 -14.218 5.194 472 HG22 THR 53 1HG2 THR 53 3.479 -13.853 6.555 473 HG23 THR 53 2HG2 THR 53 4.714 -15.102 6.710 474 H ASP 54 H ASP 54 5.552 -9.992 4.216 475 HA ASP 54 HA ASP 54 7.001 -11.784 2.283 476 HB2 ASP 54 2HB ASP 54 4.801 -9.780 1.708 477 HB3 ASP 54 1HB ASP 54 5.798 -10.542 0.468 478 HA PRO 55 HA PRO 55 9.180 -7.728 3.097 479 HB2 PRO 55 2HB PRO 55 11.506 -8.653 4.115 480 HB3 PRO 55 1HB PRO 55 10.045 -8.530 5.119 481 HG2 PRO 55 2HG PRO 55 11.165 -10.932 3.725 482 HG3 PRO 55 1HG PRO 55 10.590 -10.778 5.397 483 HD2 PRO 55 2HD PRO 55 9.029 -11.818 3.399 484 HD3 PRO 55 1HD PRO 55 8.339 -10.932 4.778 485 H TRP 56 H TRP 56 10.366 -6.801 1.511 486 HA TRP 56 HA TRP 56 11.390 -8.463 -0.692 487 HB2 TRP 56 2HB TRP 56 12.071 -5.967 -1.463 488 HB3 TRP 56 1HB TRP 56 10.441 -6.592 -1.653 489 HD1 TRP 56 HD TRP 56 8.651 -5.898 0.289 490 HE1 TRP 56 1HE TRP 56 8.453 -3.702 1.632 491 HE3 TRP 56 3HE TRP 56 13.367 -4.108 -0.364 492 HZ2 TRP 56 2HZ TRP 56 10.131 -1.473 2.333 493 HZ3 TRP 56 3HZ TRP 56 14.047 -1.960 0.626 494 HH2 TRP 56 HH TRP 56 12.444 -0.635 1.984 495 H SER 57 H SER 57 13.641 -7.008 -1.515 496 HA SER 57 HA SER 57 15.551 -7.161 0.780 497 HB2 SER 57 2HB SER 57 15.213 -9.244 -1.043 498 HB3 SER 57 1HB SER 57 16.613 -8.396 -1.681 499 HG SER 57 HG SER 57 16.548 -8.731 1.067 500 HA PRO 58 HA PRO 58 17.909 -3.786 -0.818 501 HB2 PRO 58 2HB PRO 58 19.960 -5.674 -1.968 502 HB3 PRO 58 1HB PRO 58 20.211 -4.195 -1.011 503 HG2 PRO 58 2HG PRO 58 20.426 -6.531 0.167 504 HG3 PRO 58 1HG PRO 58 19.535 -5.227 0.978 505 HD2 PRO 58 2HD PRO 58 18.452 -7.632 -0.459 506 HD3 PRO 58 1HD PRO 58 17.853 -6.852 1.022 507 H GLU 59 H GLU 59 16.981 -6.251 -3.014 508 HA GLU 59 HA GLU 59 17.776 -4.974 -5.468 509 HB2 GLU 59 2HB GLU 59 15.622 -7.040 -4.911 510 HB3 GLU 59 1HB GLU 59 16.177 -6.569 -6.517 511 HG2 GLU 59 2HG GLU 59 18.014 -7.661 -4.372 512 HG3 GLU 59 1HG GLU 59 17.265 -8.663 -5.616 513 H GLU 60 H GLU 60 14.823 -5.005 -3.466 514 HA GLU 60 HA GLU 60 13.482 -3.158 -5.333 515 HB2 GLU 60 2HB GLU 60 12.598 -3.946 -2.553 516 HB3 GLU 60 1HB GLU 60 11.605 -3.303 -3.853 517 HG2 GLU 60 2HG GLU 60 13.005 -5.993 -3.842 518 HG3 GLU 60 1HG GLU 60 11.270 -5.722 -3.685 519 H ASP 61 H ASP 61 15.391 -3.077 -2.398 520 HA ASP 61 HA ASP 61 14.681 -0.428 -1.549 521 HB2 ASP 61 2HB ASP 61 16.139 -2.285 -0.353 522 HB3 ASP 61 1HB ASP 61 17.479 -1.524 -1.201 523 H MET 62 H MET 62 17.540 -1.561 -3.381 524 HA MET 62 HA MET 62 18.472 1.024 -4.097 525 HB2 MET 62 2HB MET 62 18.780 -1.611 -5.569 526 HB3 MET 62 1HB MET 62 19.727 -0.158 -5.889 527 HG2 MET 62 2HG MET 62 19.596 -1.498 -3.176 528 HG3 MET 62 1HG MET 62 20.858 -1.826 -4.361 529 HE1 MET 62 3HE MET 62 22.953 -1.050 -3.209 530 HE2 MET 62 1HE MET 62 21.893 -1.118 -1.794 531 HE3 MET 62 2HE MET 62 22.970 0.257 -2.028 532 H LEU 63 H LEU 63 16.089 -1.128 -5.591 533 HA LEU 63 HA LEU 63 15.786 0.610 -7.946 534 HB2 LEU 63 2HB LEU 63 15.343 -1.906 -7.913 535 HB3 LEU 63 1HB LEU 63 13.891 -1.547 -6.989 536 HG LEU 63 HG LEU 63 13.332 0.119 -8.942 537 HD11 LEU 63 1HD1 LEU 63 15.382 -1.708 -10.241 538 HD12 LEU 63 2HD1 LEU 63 15.419 0.052 -10.167 539 HD13 LEU 63 3HD1 LEU 63 14.207 -0.761 -11.148 540 HD21 LEU 63 3HD2 LEU 63 12.271 -1.739 -10.229 541 HD22 LEU 63 1HD2 LEU 63 12.018 -1.892 -8.491 542 HD23 LEU 63 2HD2 LEU 63 13.224 -2.895 -9.299 543 H LEU 64 H LEU 64 14.348 0.284 -4.787 544 HA LEU 64 HA LEU 64 12.011 1.932 -5.399 545 HB2 LEU 64 2HB LEU 64 11.823 0.300 -3.611 546 HB3 LEU 64 1HB LEU 64 13.231 0.971 -2.790 547 HG LEU 64 HG LEU 64 12.031 3.020 -2.295 548 HD11 LEU 64 1HD1 LEU 64 9.944 1.821 -4.126 549 HD12 LEU 64 2HD1 LEU 64 10.660 3.431 -4.177 550 HD13 LEU 64 3HD1 LEU 64 9.500 3.027 -2.917 551 HD21 LEU 64 3HD2 LEU 64 10.377 2.127 -0.777 552 HD22 LEU 64 1HD2 LEU 64 11.702 0.970 -0.860 553 HD23 LEU 64 2HD2 LEU 64 10.206 0.664 -1.742 554 H ASP 65 H ASP 65 15.192 2.381 -3.895 555 HA ASP 65 HA ASP 65 14.946 4.981 -2.892 556 HB2 ASP 65 2HB ASP 65 17.005 3.497 -2.837 557 HB3 ASP 65 1HB ASP 65 17.329 4.012 -4.492 558 H GLN 66 H GLN 66 15.042 3.893 -6.212 559 HA GLN 66 HA GLN 66 15.463 6.565 -7.328 560 HB2 GLN 66 2HB GLN 66 16.083 4.366 -8.469 561 HB3 GLN 66 1HB GLN 66 14.361 4.138 -8.762 562 HG2 GLN 66 2HG GLN 66 15.210 5.177 -10.735 563 HG3 GLN 66 1HG GLN 66 14.375 6.453 -9.852 564 HE21 GLN 66 1HE2 GLN 66 17.180 5.760 -8.128 565 HE22 GLN 66 2HE2 GLN 66 18.198 6.940 -8.800 566 H LYS 67 H LYS 67 12.673 4.395 -6.895 567 HA LYS 67 HA LYS 67 10.818 6.359 -8.042 568 HB2 LYS 67 2HB LYS 67 10.358 3.788 -6.499 569 HB3 LYS 67 1HB LYS 67 9.072 4.751 -7.226 570 HG2 LYS 67 2HG LYS 67 10.325 4.521 -9.439 571 HG3 LYS 67 1HG LYS 67 11.333 3.315 -8.640 572 HD2 LYS 67 2HD LYS 67 8.308 3.177 -8.835 573 HD3 LYS 67 1HD LYS 67 9.416 2.310 -9.895 574 HE2 LYS 67 2HE LYS 67 8.902 0.703 -8.252 575 HE3 LYS 67 1HE LYS 67 10.427 1.365 -7.669 576 HZ1 LYS 67 3HZ LYS 67 9.432 2.140 -5.861 577 HZ2 LYS 67 1HZ LYS 67 8.046 1.272 -6.310 578 HZ3 LYS 67 2HZ LYS 67 8.210 2.901 -6.763 579 H TYR 68 H TYR 68 11.328 5.015 -4.777 580 HA TYR 68 HA TYR 68 9.561 6.630 -3.323 581 HB2 TYR 68 2HB TYR 68 10.635 4.930 -2.081 582 HB3 TYR 68 1HB TYR 68 12.231 5.378 -2.673 583 HD1 TYR 68 2HD TYR 68 13.373 7.404 -1.810 584 HD2 TYR 68 1HD TYR 68 9.662 6.020 -0.150 585 HE1 TYR 68 2HE TYR 68 13.739 8.826 0.183 586 HE2 TYR 68 1HE TYR 68 10.026 7.443 1.845 587 HH TYR 68 HH TYR 68 11.396 9.660 2.299 588 H ALA 69 H ALA 69 12.853 7.363 -4.424 589 HA ALA 69 HA ALA 69 13.205 9.866 -3.171 590 HB1 ALA 69 1HB ALA 69 14.140 8.752 -5.823 591 HB2 ALA 69 2HB ALA 69 15.071 8.973 -4.343 592 HB3 ALA 69 3HB ALA 69 14.595 10.374 -5.301 593 H GLU 70 H GLU 70 11.265 8.928 -5.938 594 HA GLU 70 HA GLU 70 10.554 11.738 -6.568 595 HB2 GLU 70 2HB GLU 70 9.882 9.070 -7.837 596 HB3 GLU 70 1HB GLU 70 9.177 10.593 -8.377 597 HG2 GLU 70 2HG GLU 70 12.166 10.140 -8.177 598 HG3 GLU 70 1HG GLU 70 11.247 9.849 -9.653 599 H TYR 71 H TYR 71 8.824 8.689 -5.783 600 HA TYR 71 HA TYR 71 6.349 10.108 -5.230 601 HB2 TYR 71 2HB TYR 71 7.201 7.256 -4.703 602 HB3 TYR 71 1HB TYR 71 5.566 7.866 -4.462 603 HD1 TYR 71 1HD TYR 71 4.198 8.622 -6.374 604 HD2 TYR 71 2HD TYR 71 8.092 6.896 -6.934 605 HE1 TYR 71 1HE TYR 71 3.705 8.290 -8.782 606 HE2 TYR 71 2HE TYR 71 7.599 6.564 -9.342 607 HH TYR 71 HH TYR 71 6.182 7.185 -11.028 608 H GLY 72 H GLY 72 8.818 8.553 -3.203 609 HA2 GLY 72 2HA GLY 72 9.456 9.312 -1.015 610 HA3 GLY 72 1HA GLY 72 7.992 10.298 -0.949 611 HA PRO 73 HA PRO 73 7.312 6.509 1.654 612 HB2 PRO 73 2HB PRO 73 5.704 8.433 3.269 613 HB3 PRO 73 1HB PRO 73 6.959 7.297 3.801 614 HG2 PRO 73 2HG PRO 73 7.420 9.939 3.690 615 HG3 PRO 73 1HG PRO 73 8.685 8.759 3.293 616 HD2 PRO 73 2HD PRO 73 6.993 10.405 1.416 617 HD3 PRO 73 1HD PRO 73 8.723 9.999 1.306 618 H LYS 74 H LYS 74 5.703 7.714 -0.723 619 HA LYS 74 HA LYS 74 2.918 7.230 0.116 620 HB2 LYS 74 2HB LYS 74 4.252 7.849 -2.526 621 HB3 LYS 74 1HB LYS 74 2.533 7.478 -2.406 622 HG2 LYS 74 2HG LYS 74 2.131 9.376 -0.994 623 HG3 LYS 74 1HG LYS 74 3.858 9.653 -0.767 624 HD2 LYS 74 2HD LYS 74 2.996 11.260 -2.388 625 HD3 LYS 74 1HD LYS 74 4.071 10.129 -3.205 626 HE2 LYS 74 2HE LYS 74 2.270 8.967 -4.215 627 HE3 LYS 74 1HE LYS 74 1.086 9.654 -3.102 628 HZ1 LYS 74 3HZ LYS 74 1.090 11.654 -4.184 629 HZ2 LYS 74 1HZ LYS 74 1.340 10.601 -5.491 630 HZ3 LYS 74 2HZ LYS 74 2.652 11.448 -4.821 631 H TRP 75 H TRP 75 3.777 5.007 0.887 632 HA TRP 75 HA TRP 75 4.562 2.968 -0.861 633 HB2 TRP 75 2HB TRP 75 2.666 2.416 1.412 634 HB3 TRP 75 1HB TRP 75 4.048 1.468 0.873 635 HD1 TRP 75 HD TRP 75 3.110 3.558 3.608 636 HE1 TRP 75 1HE TRP 75 5.145 4.596 4.795 637 HE3 TRP 75 3HE TRP 75 6.714 2.825 0.051 638 HZ2 TRP 75 2HZ TRP 75 7.910 5.063 4.319 639 HZ3 TRP 75 3HZ TRP 75 9.032 3.587 0.453 640 HH2 TRP 75 HH TRP 75 9.637 4.703 2.576 641 H ASN 76 H ASN 76 1.718 4.704 -0.904 642 HA ASN 76 HA ASN 76 -0.143 2.660 -1.739 643 HB2 ASN 76 2HB ASN 76 -0.080 5.674 -2.037 644 HB3 ASN 76 1HB ASN 76 -1.409 4.693 -2.655 645 HD21 ASN 76 1HD2 ASN 76 0.179 5.815 0.307 646 HD22 ASN 76 2HD2 ASN 76 -1.048 5.311 1.365 647 H LYS 77 H LYS 77 2.118 4.810 -3.407 648 HA LYS 77 HA LYS 77 1.266 3.855 -6.068 649 HB2 LYS 77 2HB LYS 77 3.321 5.816 -5.037 650 HB3 LYS 77 1HB LYS 77 3.398 5.255 -6.707 651 HG2 LYS 77 2HG LYS 77 2.107 7.380 -6.453 652 HG3 LYS 77 1HG LYS 77 1.146 6.071 -7.139 653 HD2 LYS 77 2HD LYS 77 0.041 5.665 -5.047 654 HD3 LYS 77 1HD LYS 77 1.161 6.717 -4.181 655 HE2 LYS 77 2HE LYS 77 0.323 8.647 -5.533 656 HE3 LYS 77 1HE LYS 77 -0.863 7.571 -6.271 657 HZ1 LYS 77 3HZ LYS 77 -1.111 7.154 -3.575 658 HZ2 LYS 77 1HZ LYS 77 -2.165 8.048 -4.558 659 HZ3 LYS 77 2HZ LYS 77 -0.915 8.836 -3.719 660 H ILE 78 H ILE 78 3.927 3.434 -3.782 661 HA ILE 78 HA ILE 78 5.578 1.833 -5.490 662 HB ILE 78 HB ILE 78 5.414 1.548 -2.482 663 HG12 ILE 78 2HG1 ILE 78 5.424 3.927 -2.839 664 HG13 ILE 78 1HG1 ILE 78 7.067 3.462 -2.413 665 HG21 ILE 78 1HG2 ILE 78 7.662 1.353 -4.506 666 HG22 ILE 78 2HG2 ILE 78 6.956 0.031 -3.578 667 HG23 ILE 78 3HG2 ILE 78 7.892 1.281 -2.760 668 HD11 ILE 78 3HD1 ILE 78 5.971 4.176 -5.135 669 HD12 ILE 78 1HD1 ILE 78 7.500 3.318 -4.944 670 HD13 ILE 78 2HD1 ILE 78 7.303 4.931 -4.261 671 H SER 79 H SER 79 3.318 0.882 -2.879 672 HA SER 79 HA SER 79 3.473 -1.905 -3.233 673 HB2 SER 79 2HB SER 79 1.404 -2.056 -2.069 674 HB3 SER 79 1HB SER 79 2.179 -0.601 -1.448 675 HG SER 79 HG SER 79 -0.001 -0.224 -2.014 676 H LYS 80 H LYS 80 1.931 0.458 -5.279 677 HA LYS 80 HA LYS 80 0.315 -1.522 -6.711 678 HB2 LYS 80 2HB LYS 80 0.989 1.393 -7.179 679 HB3 LYS 80 1HB LYS 80 0.106 0.445 -8.377 680 HG2 LYS 80 2HG LYS 80 -1.682 0.000 -6.832 681 HG3 LYS 80 1HG LYS 80 -0.758 0.652 -5.481 682 HD2 LYS 80 2HD LYS 80 -2.489 2.242 -6.315 683 HD3 LYS 80 1HD LYS 80 -0.856 2.893 -6.436 684 HE2 LYS 80 2HE LYS 80 -2.425 3.152 -8.495 685 HE3 LYS 80 1HE LYS 80 -0.778 2.594 -8.779 686 HZ1 LYS 80 3HZ LYS 80 -2.913 1.333 -9.703 687 HZ2 LYS 80 1HZ LYS 80 -2.762 0.543 -8.210 688 HZ3 LYS 80 2HZ LYS 80 -1.467 0.530 -9.311 689 H PHE 81 H PHE 81 3.571 -0.388 -6.785 690 HA PHE 81 HA PHE 81 4.027 -1.256 -9.572 691 HB2 PHE 81 2HB PHE 81 5.664 0.032 -7.399 692 HB3 PHE 81 1HB PHE 81 6.522 -0.825 -8.675 693 HD1 PHE 81 1HD PHE 81 5.623 -0.310 -11.140 694 HD2 PHE 81 2HD PHE 81 5.191 2.321 -7.770 695 HE1 PHE 81 1HE PHE 81 5.335 1.615 -12.675 696 HE2 PHE 81 2HE PHE 81 4.903 4.242 -9.306 697 HZ PHE 81 HZ PHE 81 4.975 3.891 -11.760 698 H LEU 82 H LEU 82 3.885 -2.629 -6.471 699 HA LEU 82 HA LEU 82 5.655 -4.931 -7.199 700 HB2 LEU 82 2HB LEU 82 4.190 -4.464 -4.587 701 HB3 LEU 82 1HB LEU 82 5.546 -5.550 -4.881 702 HG LEU 82 HG LEU 82 5.684 -2.528 -5.136 703 HD11 LEU 82 1HD1 LEU 82 5.308 -3.331 -2.807 704 HD12 LEU 82 2HD1 LEU 82 6.873 -2.551 -3.030 705 HD13 LEU 82 3HD1 LEU 82 6.766 -4.308 -2.946 706 HD21 LEU 82 3HD2 LEU 82 7.376 -3.489 -6.520 707 HD22 LEU 82 1HD2 LEU 82 7.727 -4.755 -5.345 708 HD23 LEU 82 2HD2 LEU 82 8.196 -3.088 -5.015 709 H LYS 83 H LYS 83 2.409 -4.475 -5.748 710 HA LYS 83 HA LYS 83 0.404 -5.573 -6.175 711 HB2 LYS 83 2HB LYS 83 1.528 -5.499 -8.619 712 HB3 LYS 83 1HB LYS 83 1.600 -7.238 -8.381 713 HG2 LYS 83 2HG LYS 83 -0.801 -7.353 -8.039 714 HG3 LYS 83 1HG LYS 83 -0.941 -5.597 -8.064 715 HD2 LYS 83 2HD LYS 83 0.054 -7.272 -10.392 716 HD3 LYS 83 1HD LYS 83 -1.591 -6.665 -10.233 717 HE2 LYS 83 2HE LYS 83 -0.326 -4.317 -9.927 718 HE3 LYS 83 1HE LYS 83 0.929 -5.153 -10.843 719 HZ1 LYS 83 3HZ LYS 83 -1.905 -4.798 -11.647 720 HZ2 LYS 83 1HZ LYS 83 -0.771 -5.723 -12.503 721 HZ3 LYS 83 2HZ LYS 83 -0.549 -4.047 -12.342 722 H ASN 84 H ASN 84 3.095 -6.728 -4.948 723 HA ASN 84 HA ASN 84 1.928 -9.417 -4.331 724 HB2 ASN 84 2HB ASN 84 4.794 -8.657 -4.932 725 HB3 ASN 84 1HB ASN 84 4.374 -10.149 -4.091 726 HD21 ASN 84 1HD2 ASN 84 2.921 -8.437 -6.922 727 HD22 ASN 84 2HD2 ASN 84 2.947 -9.796 -7.939 728 H ARG 85 H ARG 85 3.184 -6.445 -3.199 729 HA ARG 85 HA ARG 85 3.193 -7.471 -0.366 730 HB2 ARG 85 2HB ARG 85 4.969 -5.388 -1.676 731 HB3 ARG 85 1HB ARG 85 4.787 -5.529 0.070 732 HG2 ARG 85 2HG ARG 85 6.645 -6.900 -0.225 733 HG3 ARG 85 1HG ARG 85 5.391 -8.107 -0.417 734 HD2 ARG 85 2HD ARG 85 5.490 -7.701 -2.900 735 HD3 ARG 85 1HD ARG 85 6.874 -6.652 -2.621 736 HE ARG 85 HE ARG 85 8.189 -8.580 -2.326 737 HH11 ARG 85 1HH2 ARG 85 4.829 -9.245 -1.920 738 HH12 ARG 85 2HH2 ARG 85 5.052 -10.956 -1.765 739 HH21 ARG 85 1HH1 ARG 85 8.496 -10.809 -2.125 740 HH22 ARG 85 2HH1 ARG 85 7.128 -11.840 -1.881 741 H SER 86 H SER 86 2.962 -5.380 1.104 742 HA SER 86 HA SER 86 0.782 -3.655 -0.005 743 HB2 SER 86 2HB SER 86 -0.187 -3.885 2.405 744 HB3 SER 86 1HB SER 86 -0.442 -5.214 1.282 745 HG SER 86 HG SER 86 1.809 -5.796 2.308 746 H ASP 87 H ASP 87 0.458 -1.756 1.350 747 HA ASP 87 HA ASP 87 2.866 -0.339 1.800 748 HB2 ASP 87 2HB ASP 87 1.364 1.306 3.028 749 HB3 ASP 87 1HB ASP 87 0.843 0.910 1.389 750 H ASN 88 H ASN 88 0.796 -2.208 3.914 751 HA ASN 88 HA ASN 88 1.989 -1.474 6.407 752 HB2 ASN 88 2HB ASN 88 0.728 -4.110 5.578 753 HB3 ASN 88 1HB ASN 88 1.054 -3.613 7.240 754 HD21 ASN 88 1HD2 ASN 88 -0.707 -2.655 8.257 755 HD22 ASN 88 2HD2 ASN 88 -1.969 -1.839 7.467 756 H ASN 89 H ASN 89 2.948 -3.670 3.837 757 HA ASN 89 HA ASN 89 5.068 -4.935 5.424 758 HB2 ASN 89 2HB ASN 89 3.969 -6.201 3.643 759 HB3 ASN 89 1HB ASN 89 4.384 -4.958 2.466 760 HD21 ASN 89 1HD2 ASN 89 5.421 -7.917 3.712 761 HD22 ASN 89 2HD2 ASN 89 7.039 -7.850 3.208 762 H ILE 90 H ILE 90 4.815 -2.663 2.725 763 HA ILE 90 HA ILE 90 7.616 -2.106 2.519 764 HB ILE 90 HB ILE 90 5.272 -0.360 1.746 765 HG12 ILE 90 2HG1 ILE 90 6.714 -2.427 0.065 766 HG13 ILE 90 1HG1 ILE 90 5.198 -2.753 0.879 767 HG21 ILE 90 1HG2 ILE 90 6.850 0.465 0.007 768 HG22 ILE 90 2HG2 ILE 90 8.118 -0.535 0.714 769 HG23 ILE 90 3HG2 ILE 90 7.428 0.797 1.639 770 HD11 ILE 90 3HD1 ILE 90 4.306 -2.076 -1.085 771 HD12 ILE 90 1HD1 ILE 90 5.722 -1.139 -1.539 772 HD13 ILE 90 2HD1 ILE 90 4.529 -0.459 -0.433 773 H ARG 91 H ARG 91 4.958 -0.160 3.876 774 HA ARG 91 HA ARG 91 6.460 1.938 4.989 775 HB2 ARG 91 2HB ARG 91 3.933 1.712 4.951 776 HB3 ARG 91 1HB ARG 91 4.076 0.607 6.308 777 HG2 ARG 91 2HG ARG 91 5.369 2.476 7.508 778 HG3 ARG 91 1HG ARG 91 4.805 3.541 6.223 779 HD2 ARG 91 2HD ARG 91 2.449 2.762 6.763 780 HD3 ARG 91 1HD ARG 91 3.124 1.982 8.194 781 HE ARG 91 HE ARG 91 3.949 4.730 8.114 782 HH11 ARG 91 1HH2 ARG 91 1.241 2.660 8.639 783 HH12 ARG 91 2HH2 ARG 91 0.444 3.757 9.717 784 HH21 ARG 91 1HH1 ARG 91 2.923 6.173 9.518 785 HH22 ARG 91 2HH1 ARG 91 1.395 5.745 10.214 786 H ASN 92 H ASN 92 5.954 -1.328 6.106 787 HA ASN 92 HA ASN 92 7.246 -0.873 8.708 788 HB2 ASN 92 2HB ASN 92 5.429 -2.516 8.490 789 HB3 ASN 92 1HB ASN 92 6.391 -3.437 7.335 790 HD21 ASN 92 1HD2 ASN 92 5.590 -3.300 10.593 791 HD22 ASN 92 2HD2 ASN 92 6.930 -4.124 11.230 792 H ARG 93 H ARG 93 8.102 -2.483 5.628 793 HA ARG 93 HA ARG 93 10.681 -3.361 6.652 794 HB2 ARG 93 2HB ARG 93 9.270 -3.397 4.007 795 HB3 ARG 93 1HB ARG 93 11.026 -3.492 3.951 796 HG2 ARG 93 2HG ARG 93 10.182 -5.749 4.014 797 HG3 ARG 93 1HG ARG 93 10.897 -5.421 5.587 798 HD2 ARG 93 2HD ARG 93 8.484 -4.731 6.297 799 HD3 ARG 93 1HD ARG 93 7.976 -5.592 4.848 800 HE ARG 93 HE ARG 93 9.745 -7.237 6.401 801 HH11 ARG 93 1HH2 ARG 93 6.569 -5.896 6.279 802 HH12 ARG 93 2HH2 ARG 93 5.847 -7.184 7.185 803 HH21 ARG 93 1HH1 ARG 93 8.820 -8.925 7.583 804 HH22 ARG 93 2HH1 ARG 93 7.121 -8.899 7.923 805 H TRP 94 H TRP 94 9.645 -0.672 4.535 806 HA TRP 94 HA TRP 94 12.245 0.406 4.110 807 HB2 TRP 94 2HB TRP 94 10.162 1.108 2.888 808 HB3 TRP 94 1HB TRP 94 9.654 1.967 4.342 809 HD1 TRP 94 HD TRP 94 12.001 2.186 1.402 810 HE1 TRP 94 1HE TRP 94 13.236 4.448 1.453 811 HE3 TRP 94 3HE TRP 94 10.620 3.842 6.031 812 HZ2 TRP 94 2HZ TRP 94 13.592 6.668 3.223 813 HZ3 TRP 94 3HZ TRP 94 11.420 6.031 6.873 814 HH2 TRP 94 HH TRP 94 12.903 7.445 5.476 815 H MET 95 H MET 95 9.929 0.814 6.755 816 HA MET 95 HA MET 95 11.386 2.922 8.084 817 HB2 MET 95 2HB MET 95 8.985 2.390 8.525 818 HB3 MET 95 1HB MET 95 9.491 0.883 9.291 819 HG2 MET 95 2HG MET 95 10.701 2.075 11.004 820 HG3 MET 95 1HG MET 95 10.467 3.612 10.171 821 HE1 MET 95 3HE MET 95 9.623 3.056 13.342 822 HE2 MET 95 1HE MET 95 8.314 4.241 13.224 823 HE3 MET 95 2HE MET 95 9.829 4.506 12.362 824 H MET 96 H MET 96 11.484 -0.616 8.251 825 HA MET 96 HA MET 96 13.375 -0.625 10.487 826 HB2 MET 96 2HB MET 96 11.709 -2.481 9.977 827 HB3 MET 96 1HB MET 96 12.720 -2.901 8.594 828 HG2 MET 96 2HG MET 96 13.423 -4.310 10.407 829 HG3 MET 96 1HG MET 96 14.671 -3.080 10.215 830 HE1 MET 96 3HE MET 96 12.372 -4.887 12.458 831 HE2 MET 96 1HE MET 96 11.196 -3.658 11.973 832 HE3 MET 96 2HE MET 96 11.753 -3.739 13.643 833 H ILE 97 H ILE 97 13.470 -0.797 6.978 834 HA ILE 97 HA ILE 97 16.343 -1.393 6.916 835 HB ILE 97 HB ILE 97 14.381 -0.661 4.722 836 HG12 ILE 97 2HG1 ILE 97 15.685 -3.329 5.344 837 HG13 ILE 97 1HG1 ILE 97 14.095 -2.875 5.957 838 HG21 ILE 97 1HG2 ILE 97 16.236 -1.604 3.245 839 HG22 ILE 97 2HG2 ILE 97 17.296 -1.487 4.648 840 HG23 ILE 97 3HG2 ILE 97 16.572 -0.030 3.965 841 HD11 ILE 97 3HD1 ILE 97 13.226 -2.633 3.712 842 HD12 ILE 97 1HD1 ILE 97 14.012 -4.208 3.827 843 HD13 ILE 97 2HD1 ILE 97 14.831 -2.871 3.018 844 H ALA 98 H ALA 98 14.244 1.406 6.771 845 HA ALA 98 HA ALA 98 16.130 3.251 5.654 846 HB1 ALA 98 1HB ALA 98 13.728 3.607 7.462 847 HB2 ALA 98 2HB ALA 98 13.847 3.955 5.736 848 HB3 ALA 98 3HB ALA 98 14.691 4.974 6.901 849 H ARG 99 H ARG 99 15.957 1.645 8.660 850 HA ARG 99 HA ARG 99 17.323 3.624 10.253 851 HB2 ARG 99 2HB ARG 99 16.899 0.643 10.578 852 HB3 ARG 99 1HB ARG 99 17.787 1.606 11.758 853 HG2 ARG 99 2HG ARG 99 15.847 3.011 12.155 854 HG3 ARG 99 1HG ARG 99 14.954 2.206 10.865 855 HD2 ARG 99 2HD ARG 99 14.352 1.373 13.152 856 HD3 ARG 99 1HD ARG 99 14.970 0.108 12.090 857 HE ARG 99 HE ARG 99 17.080 1.324 13.671 858 HH11 ARG 99 1HH2 ARG 99 14.482 -0.944 13.623 859 HH12 ARG 99 2HH2 ARG 99 15.156 -1.945 14.865 860 HH21 ARG 99 1HH1 ARG 99 17.975 0.029 15.292 861 HH22 ARG 99 2HH1 ARG 99 17.134 -1.394 15.810 862 H HIS 100 H HIS 100 18.263 1.328 7.873 863 HA HIS 100 HA HIS 100 21.039 1.111 8.729 864 HB2 HIS 100 2HB HIS 100 19.836 -0.627 7.342 865 HB3 HIS 100 1HB HIS 100 19.854 0.518 6.002 866 HD1 HIS 100 1HD HIS 100 22.590 1.647 5.968 867 HD2 HIS 100 2HD HIS 100 21.936 -2.365 6.907 868 HE1 HIS 100 1HE HIS 100 24.778 0.443 5.537 869 HE2 HIS 100 2HE HIS 100 24.391 -1.999 6.104 870 H ARG 101 H ARG 101 19.150 3.004 6.430 871 HA ARG 101 HA ARG 101 21.510 4.410 5.404 872 HB2 ARG 101 2HB ARG 101 18.549 4.948 5.022 873 HB3 ARG 101 1HB ARG 101 19.854 5.736 4.133 874 HG2 ARG 101 2HG ARG 101 20.536 3.650 3.136 875 HG3 ARG 101 1HG ARG 101 19.444 2.735 4.172 876 HD2 ARG 101 2HD ARG 101 18.373 2.910 2.036 877 HD3 ARG 101 1HD ARG 101 17.526 4.021 3.107 878 HE ARG 101 HE ARG 101 19.280 4.765 0.846 879 HH11 ARG 101 1HH2 ARG 101 17.555 5.712 3.695 880 HH12 ARG 101 2HH2 ARG 101 17.513 7.387 3.261 881 HH21 ARG 101 1HH1 ARG 101 19.225 6.944 0.284 882 HH22 ARG 101 2HH1 ARG 101 18.455 8.083 1.337 883 H ALA 102 H ALA 102 19.180 4.765 7.946 884 HA ALA 102 HA ALA 102 19.515 7.623 8.325 885 HB1 ALA 102 1HB ALA 102 17.563 6.238 9.171 886 HB2 ALA 102 2HB ALA 102 18.283 7.312 10.370 887 HB3 ALA 102 3HB ALA 102 18.652 5.588 10.397 888 H LYS 103 H LYS 103 21.749 5.285 8.524 889 HA LYS 103 HA LYS 103 22.990 5.966 11.091 890 HB2 LYS 103 2HB LYS 103 23.812 4.277 8.716 891 HB3 LYS 103 1HB LYS 103 24.886 4.554 10.087 892 HG2 LYS 103 2HG LYS 103 23.218 3.599 11.613 893 HG3 LYS 103 1HG LYS 103 22.102 3.365 10.268 894 HD2 LYS 103 2HD LYS 103 23.574 1.768 9.223 895 HD3 LYS 103 1HD LYS 103 24.862 2.125 10.376 896 HE2 LYS 103 2HE LYS 103 22.162 1.007 11.173 897 HE3 LYS 103 1HE LYS 103 23.585 0.008 10.880 898 HZ1 LYS 103 3HZ LYS 103 22.912 1.238 13.234 899 HZ2 LYS 103 1HZ LYS 103 24.169 2.192 12.612 900 HZ3 LYS 103 2HZ LYS 103 24.407 0.528 12.857 901 H HIS 104 H HIS 104 22.854 7.308 7.977 902 HA HIS 104 HA HIS 104 24.865 9.313 8.684 903 HB2 HIS 104 2HB HIS 104 26.239 8.953 6.668 904 HB3 HIS 104 1HB HIS 104 26.268 7.529 7.708 905 HD1 HIS 104 1HD HIS 104 24.159 8.797 4.776 906 HD2 HIS 104 2HD HIS 104 25.697 5.230 6.297 907 HE1 HIS 104 1HE HIS 104 23.497 6.976 3.143 908 HE2 HIS 104 2HE HIS 104 24.429 4.801 4.059 909 H GLN 105 H GLN 105 22.388 8.052 6.577 910 HA GLN 105 HA GLN 105 22.280 10.330 4.799 911 HB2 GLN 105 2HB GLN 105 21.285 8.014 4.377 912 HB3 GLN 105 1HB GLN 105 19.992 8.460 5.487 913 HG2 GLN 105 2HG GLN 105 20.713 10.149 3.076 914 HG3 GLN 105 1HG GLN 105 19.523 8.853 3.003 915 HE21 GLN 105 1HE2 GLN 105 18.188 9.141 5.452 916 HE22 GLN 105 2HE2 GLN 105 17.434 10.661 5.516 917 H LYS 106 H LYS 106 20.964 9.599 7.956 918 HA LYS 106 HA LYS 106 18.879 11.521 8.077 919 HB2 LYS 106 2HB LYS 106 19.336 9.778 9.817 920 HB3 LYS 106 1HB LYS 106 20.741 10.712 10.332 921 HG2 LYS 106 2HG LYS 106 19.365 12.582 10.969 922 HG3 LYS 106 1HG LYS 106 17.937 11.850 10.235 923 HD2 LYS 106 2HD LYS 106 18.028 10.005 11.857 924 HD3 LYS 106 1HD LYS 106 19.476 10.705 12.583 925 HE2 LYS 106 2HE LYS 106 16.839 12.181 12.382 926 HE3 LYS 106 1HE LYS 106 17.324 11.250 13.800 927 HZ1 LYS 106 3HZ LYS 106 18.819 12.786 14.405 928 HZ2 LYS 106 1HZ LYS 106 17.899 13.832 13.440 929 HZ3 LYS 106 2HZ LYS 106 19.304 13.116 12.811 930 H SER 107 H SER 107 22.276 11.950 7.858 931 HA SER 107 HA SER 107 22.544 14.449 9.241 932 HB2 SER 107 2HB SER 107 24.627 14.692 8.022 933 HB3 SER 107 1HB SER 107 24.450 13.000 8.477 934 HG SER 107 HG SER 107 23.449 12.773 6.319 Start of MODEL 7 1 H1 LYS 1 1HT LYS 1 -0.626 9.413 -3.036 2 H2 LYS 1 2HT LYS 1 -0.376 10.186 -1.543 3 H3 LYS 1 3HT LYS 1 -1.817 10.444 -2.406 4 HA LYS 1 HA LYS 1 -1.315 7.669 -1.859 5 HB2 LYS 1 2HB LYS 1 -1.847 7.831 0.541 6 HB3 LYS 1 1HB LYS 1 -0.334 8.664 0.183 7 HG2 LYS 1 2HG LYS 1 -1.722 10.803 -0.040 8 HG3 LYS 1 1HG LYS 1 -3.056 9.896 0.670 9 HD2 LYS 1 2HD LYS 1 -0.346 10.406 1.934 10 HD3 LYS 1 1HD LYS 1 -1.886 11.103 2.435 11 HE2 LYS 1 2HE LYS 1 -0.949 8.245 2.691 12 HE3 LYS 1 1HE LYS 1 -1.578 9.312 3.945 13 HZ1 LYS 1 2HZ LYS 1 -3.644 9.265 2.293 14 HZ2 LYS 1 3HZ LYS 1 -3.447 8.143 3.554 15 HZ3 LYS 1 1HZ LYS 1 -3.004 7.725 1.971 16 H VAL 2 H VAL 2 -3.504 7.025 -0.535 17 HA VAL 2 HA VAL 2 -5.663 7.819 -2.300 18 HB VAL 2 HB VAL 2 -7.057 6.355 -0.890 19 HG11 VAL 2 1HG1 VAL 2 -5.710 5.333 -2.646 20 HG12 VAL 2 2HG1 VAL 2 -5.745 4.269 -1.241 21 HG13 VAL 2 3HG1 VAL 2 -4.318 5.253 -1.567 22 HG21 VAL 2 3HG2 VAL 2 -6.191 6.833 1.301 23 HG22 VAL 2 1HG2 VAL 2 -4.571 6.317 0.837 24 HG23 VAL 2 2HG2 VAL 2 -5.867 5.130 0.984 25 H LYS 3 H LYS 3 -7.861 8.269 -1.025 26 HA LYS 3 HA LYS 3 -7.410 10.834 0.415 27 HB2 LYS 3 2HB LYS 3 -9.999 9.589 -0.561 28 HB3 LYS 3 1HB LYS 3 -9.789 11.238 0.018 29 HG2 LYS 3 2HG LYS 3 -8.238 10.163 -2.355 30 HG3 LYS 3 1HG LYS 3 -9.827 10.897 -2.535 31 HD2 LYS 3 2HD LYS 3 -8.901 12.936 -1.316 32 HD3 LYS 3 1HD LYS 3 -7.306 12.203 -1.476 33 HE2 LYS 3 2HE LYS 3 -7.529 12.166 -3.908 34 HE3 LYS 3 1HE LYS 3 -9.168 12.807 -3.789 35 HZ1 LYS 3 3HZ LYS 3 -8.416 14.866 -3.469 36 HZ2 LYS 3 1HZ LYS 3 -6.928 14.294 -4.050 37 HZ3 LYS 3 2HZ LYS 3 -7.212 14.370 -2.377 38 H PHE 4 H PHE 4 -9.315 7.829 0.832 39 HA PHE 4 HA PHE 4 -10.191 8.458 3.473 40 HB2 PHE 4 2HB PHE 4 -10.499 5.953 3.686 41 HB3 PHE 4 1HB PHE 4 -11.355 6.713 2.362 42 HD1 PHE 4 2HD PHE 4 -10.597 6.441 0.055 43 HD2 PHE 4 1HD PHE 4 -8.629 4.434 3.302 44 HE1 PHE 4 2HE PHE 4 -9.489 4.922 -1.557 45 HE2 PHE 4 1HE PHE 4 -7.520 2.910 1.684 46 HZ PHE 4 HZ PHE 4 -7.952 3.164 -0.752 47 H THR 5 H THR 5 -9.489 7.367 5.488 48 HA THR 5 HA THR 5 -6.528 7.408 5.671 49 HB THR 5 HB THR 5 -7.665 8.694 7.357 50 HG1 THR 5 1HG THR 5 -6.969 6.290 8.644 51 HG21 THR 5 3HG2 THR 5 -9.161 6.137 7.951 52 HG22 THR 5 1HG2 THR 5 -9.846 7.608 7.266 53 HG23 THR 5 2HG2 THR 5 -9.249 7.601 8.926 54 H GLU 6 H GLU 6 -5.461 5.746 6.921 55 HA GLU 6 HA GLU 6 -5.759 3.161 5.930 56 HB2 GLU 6 2HB GLU 6 -4.437 2.397 7.880 57 HB3 GLU 6 1HB GLU 6 -3.776 3.880 7.189 58 HG2 GLU 6 2HG GLU 6 -5.141 5.157 8.918 59 HG3 GLU 6 1HG GLU 6 -5.467 3.602 9.686 60 H GLU 7 H GLU 7 -7.309 4.547 8.822 61 HA GLU 7 HA GLU 7 -8.439 2.255 9.949 62 HB2 GLU 7 2HB GLU 7 -10.057 4.791 9.649 63 HB3 GLU 7 1HB GLU 7 -10.033 3.654 10.996 64 HG2 GLU 7 2HG GLU 7 -7.592 4.294 11.340 65 HG3 GLU 7 1HG GLU 7 -7.863 5.604 10.189 66 H GLU 8 H GLU 8 -9.615 4.083 7.114 67 HA GLU 8 HA GLU 8 -11.988 2.461 6.827 68 HB2 GLU 8 2HB GLU 8 -10.576 3.928 4.611 69 HB3 GLU 8 1HB GLU 8 -12.282 3.514 4.702 70 HG2 GLU 8 2HG GLU 8 -10.791 5.594 6.320 71 HG3 GLU 8 1HG GLU 8 -12.177 5.835 5.263 72 H ASP 9 H ASP 9 -8.722 2.387 5.423 73 HA ASP 9 HA ASP 9 -8.958 0.300 3.577 74 HB2 ASP 9 2HB ASP 9 -6.845 1.585 4.243 75 HB3 ASP 9 1HB ASP 9 -6.684 0.443 5.576 76 H LEU 10 H LEU 10 -9.148 0.163 7.057 77 HA LEU 10 HA LEU 10 -8.954 -2.749 7.228 78 HB2 LEU 10 2HB LEU 10 -10.314 -1.064 9.339 79 HB3 LEU 10 1HB LEU 10 -9.278 -2.477 9.542 80 HG LEU 10 HG LEU 10 -8.397 0.282 8.685 81 HD11 LEU 10 1HD1 LEU 10 -7.158 0.252 10.815 82 HD12 LEU 10 2HD1 LEU 10 -7.878 -1.314 11.193 83 HD13 LEU 10 3HD1 LEU 10 -8.899 0.120 11.065 84 HD21 LEU 10 3HD2 LEU 10 -6.086 -0.754 8.929 85 HD22 LEU 10 1HD2 LEU 10 -7.008 -1.293 7.526 86 HD23 LEU 10 2HD2 LEU 10 -6.892 -2.323 8.952 87 H LYS 11 H LYS 11 -11.509 -0.292 7.076 88 HA LYS 11 HA LYS 11 -13.732 -2.056 7.426 89 HB2 LYS 11 2HB LYS 11 -13.513 0.482 5.770 90 HB3 LYS 11 1HB LYS 11 -15.028 -0.330 6.164 91 HG2 LYS 11 2HG LYS 11 -14.530 -0.055 8.579 92 HG3 LYS 11 1HG LYS 11 -13.053 0.812 8.162 93 HD2 LYS 11 2HD LYS 11 -14.356 2.540 7.015 94 HD3 LYS 11 1HD LYS 11 -15.848 1.658 7.345 95 HE2 LYS 11 2HE LYS 11 -15.339 1.859 9.801 96 HE3 LYS 11 1HE LYS 11 -13.983 2.905 9.382 97 HZ1 LYS 11 3HZ LYS 11 -15.337 4.595 8.824 98 HZ2 LYS 11 1HZ LYS 11 -16.424 3.814 9.866 99 HZ3 LYS 11 2HZ LYS 11 -16.544 3.582 8.188 100 H LEU 12 H LEU 12 -11.800 -1.175 4.582 101 HA LEU 12 HA LEU 12 -13.323 -2.481 2.590 102 HB2 LEU 12 2HB LEU 12 -10.407 -1.835 2.938 103 HB3 LEU 12 1HB LEU 12 -10.868 -2.892 1.613 104 HG LEU 12 HG LEU 12 -12.456 -1.160 0.812 105 HD11 LEU 12 1HD1 LEU 12 -11.253 0.445 3.080 106 HD12 LEU 12 2HD1 LEU 12 -12.936 -0.046 2.924 107 HD13 LEU 12 3HD1 LEU 12 -12.251 1.127 1.801 108 HD21 LEU 12 3HD2 LEU 12 -10.341 -1.116 -0.254 109 HD22 LEU 12 1HD2 LEU 12 -9.528 -0.469 1.171 110 HD23 LEU 12 2HD2 LEU 12 -10.606 0.559 0.227 111 H GLN 13 H GLN 13 -10.776 -3.759 4.760 112 HA GLN 13 HA GLN 13 -10.688 -6.393 3.751 113 HB2 GLN 13 2HB GLN 13 -9.241 -5.505 5.590 114 HB3 GLN 13 1HB GLN 13 -10.622 -5.597 6.680 115 HG2 GLN 13 2HG GLN 13 -10.773 -8.038 6.269 116 HG3 GLN 13 1HG GLN 13 -9.366 -7.936 5.211 117 HE21 GLN 13 1HE2 GLN 13 -9.906 -6.233 8.323 118 HE22 GLN 13 2HE2 GLN 13 -8.572 -6.925 9.111 119 H GLN 14 H GLN 14 -13.063 -4.900 5.930 120 HA GLN 14 HA GLN 14 -14.535 -7.424 6.286 121 HB2 GLN 14 2HB GLN 14 -15.441 -4.613 6.912 122 HB3 GLN 14 1HB GLN 14 -16.104 -6.116 7.555 123 HG2 GLN 14 2HG GLN 14 -13.880 -6.611 8.581 124 HG3 GLN 14 1HG GLN 14 -13.309 -5.037 8.027 125 HE21 GLN 14 1HE2 GLN 14 -14.936 -3.153 8.726 126 HE22 GLN 14 2HE2 GLN 14 -15.486 -3.241 10.330 127 H LEU 15 H LEU 15 -15.375 -4.300 4.712 128 HA LEU 15 HA LEU 15 -17.807 -5.230 3.571 129 HB2 LEU 15 2HB LEU 15 -15.890 -2.992 2.927 130 HB3 LEU 15 1HB LEU 15 -17.206 -3.333 1.806 131 HG LEU 15 HG LEU 15 -18.846 -3.052 3.616 132 HD11 LEU 15 1HD1 LEU 15 -18.006 -2.119 5.810 133 HD12 LEU 15 2HD1 LEU 15 -16.375 -2.539 5.291 134 HD13 LEU 15 3HD1 LEU 15 -17.578 -3.806 5.526 135 HD21 LEU 15 3HD2 LEU 15 -18.477 -0.617 4.023 136 HD22 LEU 15 1HD2 LEU 15 -18.219 -1.064 2.337 137 HD23 LEU 15 2HD2 LEU 15 -16.837 -0.788 3.397 138 H VAL 16 H VAL 16 -14.558 -5.009 2.126 139 HA VAL 16 HA VAL 16 -15.219 -6.208 -0.355 140 HB VAL 16 HB VAL 16 -12.589 -6.455 1.134 141 HG11 VAL 16 1HG1 VAL 16 -13.336 -6.617 -1.791 142 HG12 VAL 16 2HG1 VAL 16 -12.747 -7.938 -0.784 143 HG13 VAL 16 3HG1 VAL 16 -11.682 -6.590 -1.183 144 HG21 VAL 16 3HG2 VAL 16 -13.380 -4.339 -0.887 145 HG22 VAL 16 1HG2 VAL 16 -11.945 -4.368 0.130 146 HG23 VAL 16 2HG2 VAL 16 -13.529 -4.070 0.840 147 H MET 17 H MET 17 -14.506 -7.651 2.822 148 HA MET 17 HA MET 17 -14.238 -10.336 1.821 149 HB2 MET 17 2HB MET 17 -13.451 -9.842 4.047 150 HB3 MET 17 1HB MET 17 -15.032 -9.241 4.536 151 HG2 MET 17 2HG MET 17 -15.992 -11.419 4.449 152 HG3 MET 17 1HG MET 17 -14.592 -12.079 3.603 153 HE1 MET 17 3HE MET 17 -15.065 -13.889 5.316 154 HE2 MET 17 1HE MET 17 -13.985 -14.027 6.710 155 HE3 MET 17 2HE MET 17 -13.319 -13.847 5.088 156 H ARG 18 H ARG 18 -16.969 -8.266 2.633 157 HA ARG 18 HA ARG 18 -18.928 -10.442 2.488 158 HB2 ARG 18 2HB ARG 18 -19.252 -8.344 3.846 159 HB3 ARG 18 1HB ARG 18 -19.404 -7.451 2.332 160 HG2 ARG 18 2HG ARG 18 -21.312 -8.867 1.680 161 HG3 ARG 18 1HG ARG 18 -21.160 -9.773 3.186 162 HD2 ARG 18 2HD ARG 18 -21.678 -7.808 4.498 163 HD3 ARG 18 1HD ARG 18 -21.634 -6.784 3.063 164 HE ARG 18 HE ARG 18 -23.585 -8.900 2.775 165 HH11 ARG 18 1HH2 ARG 18 -22.903 -5.853 4.239 166 HH12 ARG 18 2HH2 ARG 18 -24.565 -5.373 4.327 167 HH21 ARG 18 1HH1 ARG 18 -25.758 -8.291 2.882 168 HH22 ARG 18 2HH1 ARG 18 -26.182 -6.754 3.559 169 H TYR 19 H TYR 19 -17.569 -8.034 0.294 170 HA TYR 19 HA TYR 19 -19.470 -8.815 -1.863 171 HB2 TYR 19 2HB TYR 19 -17.255 -6.738 -1.828 172 HB3 TYR 19 1HB TYR 19 -18.427 -6.977 -3.122 173 HD1 TYR 19 1HD TYR 19 -20.975 -7.038 -2.287 174 HD2 TYR 19 2HD TYR 19 -17.756 -5.067 -0.232 175 HE1 TYR 19 1HE TYR 19 -22.607 -5.609 -1.094 176 HE2 TYR 19 2HE TYR 19 -19.392 -3.640 0.958 177 HH TYR 19 HH TYR 19 -21.764 -2.818 0.532 178 H GLY 20 H GLY 20 -16.500 -9.779 -0.640 179 HA2 GLY 20 2HA GLY 20 -15.080 -11.479 -1.476 180 HA3 GLY 20 1HA GLY 20 -15.946 -11.412 -3.014 181 H ALA 21 H ALA 21 -15.622 -9.260 -4.198 182 HA ALA 21 HA ALA 21 -13.671 -7.375 -3.996 183 HB1 ALA 21 1HB ALA 21 -11.790 -8.729 -3.624 184 HB2 ALA 21 2HB ALA 21 -11.727 -8.586 -5.373 185 HB3 ALA 21 3HB ALA 21 -12.410 -10.034 -4.633 186 H LYS 22 H LYS 22 -16.016 -7.570 -5.390 187 HA LYS 22 HA LYS 22 -15.102 -7.023 -8.153 188 HB2 LYS 22 2HB LYS 22 -16.653 -8.568 -9.197 189 HB3 LYS 22 1HB LYS 22 -15.591 -9.460 -8.108 190 HG2 LYS 22 2HG LYS 22 -17.414 -9.200 -6.334 191 HG3 LYS 22 1HG LYS 22 -18.469 -8.643 -7.632 192 HD2 LYS 22 2HD LYS 22 -17.071 -11.331 -7.470 193 HD3 LYS 22 1HD LYS 22 -18.802 -11.036 -7.305 194 HE2 LYS 22 2HE LYS 22 -17.088 -10.818 -9.781 195 HE3 LYS 22 1HE LYS 22 -18.575 -11.735 -9.551 196 HZ1 LYS 22 3HZ LYS 22 -19.450 -9.289 -9.044 197 HZ2 LYS 22 1HZ LYS 22 -19.455 -9.964 -10.600 198 HZ3 LYS 22 2HZ LYS 22 -18.205 -8.911 -10.137 199 H ASP 23 H ASP 23 -17.269 -6.395 -5.587 200 HA ASP 23 HA ASP 23 -19.122 -4.868 -7.388 201 HB2 ASP 23 2HB ASP 23 -19.578 -5.416 -4.447 202 HB3 ASP 23 1HB ASP 23 -20.762 -5.006 -5.687 203 H TRP 24 H TRP 24 -16.636 -3.786 -7.067 204 HA TRP 24 HA TRP 24 -16.321 -2.059 -4.815 205 HB2 TRP 24 2HB TRP 24 -15.294 -1.726 -7.647 206 HB3 TRP 24 1HB TRP 24 -14.689 -0.861 -6.227 207 HD1 TRP 24 HD TRP 24 -14.437 -4.143 -8.053 208 HE1 TRP 24 1HE TRP 24 -12.803 -5.693 -6.791 209 HE3 TRP 24 3HE TRP 24 -13.863 -1.468 -3.784 210 HZ2 TRP 24 2HZ TRP 24 -11.426 -5.763 -4.265 211 HZ3 TRP 24 3HZ TRP 24 -12.387 -2.258 -1.972 212 HH2 TRP 24 HH TRP 24 -11.176 -4.410 -2.192 213 H ILE 25 H ILE 25 -18.493 -1.935 -7.446 214 HA ILE 25 HA ILE 25 -18.828 0.946 -7.539 215 HB ILE 25 HB ILE 25 -21.077 0.260 -8.622 216 HG12 ILE 25 2HG1 ILE 25 -19.755 -2.469 -8.621 217 HG13 ILE 25 1HG1 ILE 25 -21.042 -2.023 -7.501 218 HG21 ILE 25 1HG2 ILE 25 -19.097 0.878 -9.942 219 HG22 ILE 25 2HG2 ILE 25 -19.950 -0.463 -10.707 220 HG23 ILE 25 3HG2 ILE 25 -18.473 -0.765 -9.794 221 HD11 ILE 25 3HD1 ILE 25 -21.903 -3.194 -9.525 222 HD12 ILE 25 1HD1 ILE 25 -21.264 -1.886 -10.521 223 HD13 ILE 25 2HD1 ILE 25 -22.554 -1.563 -9.362 224 H ARG 26 H ARG 26 -20.155 -1.717 -5.696 225 HA ARG 26 HA ARG 26 -22.248 -0.135 -4.454 226 HB2 ARG 26 2HB ARG 26 -22.408 -2.605 -4.736 227 HB3 ARG 26 1HB ARG 26 -21.046 -2.797 -3.637 228 HG2 ARG 26 2HG ARG 26 -23.169 -3.144 -2.444 229 HG3 ARG 26 1HG ARG 26 -22.345 -1.715 -1.830 230 HD2 ARG 26 2HD ARG 26 -23.906 -0.252 -2.771 231 HD3 ARG 26 1HD ARG 26 -24.340 -1.376 -4.061 232 HE ARG 26 HE ARG 26 -26.005 -2.224 -2.641 233 HH11 ARG 26 1HH2 ARG 26 -23.492 -0.673 -0.859 234 HH12 ARG 26 2HH2 ARG 26 -24.274 -0.876 0.673 235 HH21 ARG 26 1HH1 ARG 26 -27.038 -2.496 -0.651 236 HH22 ARG 26 2HH1 ARG 26 -26.280 -1.907 0.791 237 H ILE 27 H ILE 27 -19.116 -1.469 -3.444 238 HA ILE 27 HA ILE 27 -19.097 -0.398 -0.837 239 HB ILE 27 HB ILE 27 -16.716 -0.744 -2.677 240 HG12 ILE 27 2HG1 ILE 27 -17.920 -2.705 -0.696 241 HG13 ILE 27 1HG1 ILE 27 -18.188 -2.778 -2.437 242 HG21 ILE 27 1HG2 ILE 27 -17.015 -0.597 0.338 243 HG22 ILE 27 2HG2 ILE 27 -16.155 0.542 -0.698 244 HG23 ILE 27 3HG2 ILE 27 -15.532 -1.091 -0.478 245 HD11 ILE 27 3HD1 ILE 27 -16.387 -4.284 -2.000 246 HD12 ILE 27 1HD1 ILE 27 -15.579 -3.125 -0.947 247 HD13 ILE 27 2HD1 ILE 27 -15.641 -2.843 -2.687 248 H SER 28 H SER 28 -18.335 1.063 -3.947 249 HA SER 28 HA SER 28 -17.220 3.494 -2.799 250 HB2 SER 28 2HB SER 28 -18.279 2.851 -5.559 251 HB3 SER 28 1HB SER 28 -17.544 4.393 -5.129 252 HG SER 28 HG SER 28 -15.634 3.420 -4.852 253 H GLN 29 H GLN 29 -20.447 2.391 -3.651 254 HA GLN 29 HA GLN 29 -21.716 4.963 -3.715 255 HB2 GLN 29 2HB GLN 29 -22.714 2.182 -3.070 256 HB3 GLN 29 1HB GLN 29 -23.786 3.574 -2.949 257 HG2 GLN 29 2HG GLN 29 -22.167 3.094 -5.461 258 HG3 GLN 29 1HG GLN 29 -23.704 2.269 -5.213 259 HE21 GLN 29 1HE2 GLN 29 -25.581 3.864 -4.562 260 HE22 GLN 29 2HE2 GLN 29 -25.609 5.353 -5.376 261 H LEU 30 H LEU 30 -21.017 2.726 -1.036 262 HA LEU 30 HA LEU 30 -22.307 4.297 0.997 263 HB2 LEU 30 2HB LEU 30 -19.846 2.574 1.408 264 HB3 LEU 30 1HB LEU 30 -21.116 2.944 2.575 265 HG LEU 30 HG LEU 30 -21.460 1.310 0.042 266 HD11 LEU 30 1HD1 LEU 30 -20.184 0.201 1.881 267 HD12 LEU 30 2HD1 LEU 30 -21.730 -0.581 1.555 268 HD13 LEU 30 3HD1 LEU 30 -21.554 0.477 2.957 269 HD21 LEU 30 3HD2 LEU 30 -23.718 0.809 1.213 270 HD22 LEU 30 1HD2 LEU 30 -23.547 2.381 0.438 271 HD23 LEU 30 2HD2 LEU 30 -23.386 2.239 2.189 272 H MET 31 H MET 31 -18.922 4.130 -0.096 273 HA MET 31 HA MET 31 -18.396 6.785 1.220 274 HB2 MET 31 2HB MET 31 -16.519 4.523 0.475 275 HB3 MET 31 1HB MET 31 -15.995 6.090 1.091 276 HG2 MET 31 2HG MET 31 -17.343 5.721 3.138 277 HG3 MET 31 1HG MET 31 -17.817 4.137 2.527 278 HE1 MET 31 3HE MET 31 -15.522 2.535 4.943 279 HE2 MET 31 1HE MET 31 -16.969 2.418 3.934 280 HE3 MET 31 2HE MET 31 -16.832 3.697 5.139 281 H ILE 32 H ILE 32 -19.549 7.504 -0.901 282 HA ILE 32 HA ILE 32 -18.247 7.205 -3.420 283 HB ILE 32 HB ILE 32 -19.462 9.384 -4.003 284 HG12 ILE 32 2HG1 ILE 32 -21.213 10.067 -2.333 285 HG13 ILE 32 1HG1 ILE 32 -20.444 9.028 -1.144 286 HG21 ILE 32 1HG2 ILE 32 -20.961 7.046 -2.799 287 HG22 ILE 32 2HG2 ILE 32 -20.485 7.252 -4.484 288 HG23 ILE 32 3HG2 ILE 32 -21.721 8.297 -3.782 289 HD11 ILE 32 3HD1 ILE 32 -18.595 10.424 -0.923 290 HD12 ILE 32 1HD1 ILE 32 -19.856 11.604 -1.258 291 HD13 ILE 32 2HD1 ILE 32 -18.767 11.098 -2.545 292 H THR 33 H THR 33 -16.976 8.540 -0.698 293 HA THR 33 HA THR 33 -15.727 10.919 -1.766 294 HB THR 33 HB THR 33 -15.874 10.795 0.606 295 HG1 THR 33 1HG THR 33 -13.240 9.999 0.492 296 HG21 THR 33 3HG2 THR 33 -16.207 8.453 0.957 297 HG22 THR 33 1HG2 THR 33 -14.738 8.875 1.836 298 HG23 THR 33 2HG2 THR 33 -14.628 8.057 0.277 299 H ARG 34 H ARG 34 -15.327 7.777 -2.667 300 HA ARG 34 HA ARG 34 -12.629 8.344 -3.780 301 HB2 ARG 34 2HB ARG 34 -11.694 6.238 -2.968 302 HB3 ARG 34 1HB ARG 34 -12.233 7.208 -1.600 303 HG2 ARG 34 2HG ARG 34 -14.508 5.845 -1.965 304 HG3 ARG 34 1HG ARG 34 -13.428 4.687 -2.729 305 HD2 ARG 34 2HD ARG 34 -12.071 4.579 -0.678 306 HD3 ARG 34 1HD ARG 34 -13.096 5.794 0.080 307 HE ARG 34 HE ARG 34 -14.804 3.704 -0.730 308 HH11 ARG 34 1HH2 ARG 34 -12.111 4.259 1.353 309 HH12 ARG 34 2HH2 ARG 34 -12.573 3.039 2.492 310 HH21 ARG 34 1HH1 ARG 34 -15.421 2.108 0.746 311 HH22 ARG 34 2HH1 ARG 34 -14.446 1.822 2.149 312 H ASN 35 H ASN 35 -12.148 6.891 -5.599 313 HA ASN 35 HA ASN 35 -14.620 6.035 -6.927 314 HB2 ASN 35 2HB ASN 35 -11.839 5.849 -8.076 315 HB3 ASN 35 1HB ASN 35 -13.368 5.997 -8.941 316 HD21 ASN 35 1HD2 ASN 35 -10.828 7.815 -8.696 317 HD22 ASN 35 2HD2 ASN 35 -11.486 9.348 -8.382 318 HA PRO 36 HA PRO 36 -14.497 1.649 -6.158 319 HB2 PRO 36 2HB PRO 36 -14.409 1.406 -9.166 320 HB3 PRO 36 1HB PRO 36 -15.421 0.534 -8.001 321 HG2 PRO 36 2HG PRO 36 -16.413 2.545 -9.431 322 HG3 PRO 36 1HG PRO 36 -16.889 2.297 -7.740 323 HD2 PRO 36 2HD PRO 36 -15.126 4.412 -8.894 324 HD3 PRO 36 1HD PRO 36 -16.117 4.437 -7.415 325 H ARG 37 H ARG 37 -12.376 2.888 -8.713 326 HA ARG 37 HA ARG 37 -10.494 0.726 -8.638 327 HB2 ARG 37 2HB ARG 37 -9.919 3.579 -9.465 328 HB3 ARG 37 1HB ARG 37 -9.121 2.112 -10.030 329 HG2 ARG 37 2HG ARG 37 -12.000 2.917 -10.545 330 HG3 ARG 37 1HG ARG 37 -10.696 2.869 -11.730 331 HD2 ARG 37 2HD ARG 37 -12.092 0.561 -10.375 332 HD3 ARG 37 1HD ARG 37 -11.828 0.830 -12.097 333 HE ARG 37 HE ARG 37 -9.266 0.597 -11.041 334 HH11 ARG 37 1HH2 ARG 37 -12.182 -1.246 -11.033 335 HH12 ARG 37 2HH2 ARG 37 -11.372 -2.774 -10.939 336 HH21 ARG 37 1HH1 ARG 37 -8.194 -1.388 -10.917 337 HH22 ARG 37 2HH1 ARG 37 -9.114 -2.854 -10.873 338 H GLN 38 H GLN 38 -10.898 3.625 -6.702 339 HA GLN 38 HA GLN 38 -8.206 3.668 -5.670 340 HB2 GLN 38 2HB GLN 38 -10.788 4.816 -4.600 341 HB3 GLN 38 1HB GLN 38 -9.210 5.112 -3.879 342 HG2 GLN 38 2HG GLN 38 -8.398 6.127 -5.925 343 HG3 GLN 38 1HG GLN 38 -9.887 5.708 -6.768 344 HE21 GLN 38 1HE2 GLN 38 -9.341 7.166 -3.511 345 HE22 GLN 38 2HE2 GLN 38 -10.304 8.533 -3.801 346 H CYS 39 H CYS 39 -11.253 2.186 -4.420 347 HA CYS 39 HA CYS 39 -9.881 1.218 -2.028 348 HB2 CYS 39 2HB CYS 39 -12.471 0.289 -3.275 349 HB3 CYS 39 1HB CYS 39 -11.938 -0.021 -1.628 350 HG CYS 39 HG CYS 39 -12.931 2.712 -2.702 351 H ARG 40 H ARG 40 -10.559 0.055 -5.260 352 HA ARG 40 HA ARG 40 -10.015 -2.703 -4.881 353 HB2 ARG 40 2HB ARG 40 -10.936 -1.878 -6.973 354 HB3 ARG 40 1HB ARG 40 -9.509 -0.886 -7.248 355 HG2 ARG 40 2HG ARG 40 -9.546 -3.019 -8.589 356 HG3 ARG 40 1HG ARG 40 -8.119 -2.837 -7.576 357 HD2 ARG 40 2HD ARG 40 -8.889 -4.437 -6.011 358 HD3 ARG 40 1HD ARG 40 -10.551 -4.332 -6.589 359 HE ARG 40 HE ARG 40 -8.475 -6.019 -7.702 360 HH11 ARG 40 1HH2 ARG 40 -11.277 -4.123 -8.371 361 HH12 ARG 40 2HH2 ARG 40 -11.722 -5.035 -9.775 362 HH21 ARG 40 1HH1 ARG 40 -9.041 -7.221 -9.531 363 HH22 ARG 40 2HH1 ARG 40 -10.456 -6.788 -10.432 364 H GLU 41 H GLU 41 -7.837 -0.011 -5.732 365 HA GLU 41 HA GLU 41 -5.430 -1.432 -5.959 366 HB2 GLU 41 2HB GLU 41 -5.996 1.336 -4.870 367 HB3 GLU 41 1HB GLU 41 -4.357 0.723 -5.091 368 HG2 GLU 41 2HG GLU 41 -4.682 0.463 -7.457 369 HG3 GLU 41 1HG GLU 41 -6.413 0.767 -7.314 370 H ARG 42 H ARG 42 -7.209 -0.489 -3.045 371 HA ARG 42 HA ARG 42 -5.073 -1.091 -1.193 372 HB2 ARG 42 2HB ARG 42 -8.053 -1.317 -0.719 373 HB3 ARG 42 1HB ARG 42 -6.809 -1.176 0.517 374 HG2 ARG 42 2HG ARG 42 -7.500 0.914 -1.572 375 HG3 ARG 42 1HG ARG 42 -7.876 0.995 0.149 376 HD2 ARG 42 2HD ARG 42 -5.916 2.275 0.057 377 HD3 ARG 42 1HD ARG 42 -5.251 0.685 0.423 378 HE ARG 42 HE ARG 42 -5.303 0.792 -2.357 379 HH11 ARG 42 1HH2 ARG 42 -4.042 2.689 0.232 380 HH12 ARG 42 2HH2 ARG 42 -2.690 3.274 -0.678 381 HH21 ARG 42 1HH1 ARG 42 -3.545 1.549 -3.562 382 HH22 ARG 42 2HH1 ARG 42 -2.409 2.629 -2.826 383 H TRP 43 H TRP 43 -7.711 -3.030 -2.518 384 HA TRP 43 HA TRP 43 -7.524 -5.383 -1.086 385 HB2 TRP 43 2HB TRP 43 -9.058 -4.936 -3.007 386 HB3 TRP 43 1HB TRP 43 -7.708 -5.183 -4.100 387 HD1 TRP 43 HD TRP 43 -8.796 -7.305 -1.037 388 HE1 TRP 43 1HE TRP 43 -9.109 -9.732 -1.834 389 HE3 TRP 43 3HE TRP 43 -7.890 -6.718 -6.027 390 HZ2 TRP 43 2HZ TRP 43 -8.996 -11.231 -4.266 391 HZ3 TRP 43 3HZ TRP 43 -8.002 -8.660 -7.561 392 HH2 TRP 43 HH TRP 43 -8.553 -10.915 -6.688 393 H ASN 44 H ASN 44 -5.587 -4.780 -4.041 394 HA ASN 44 HA ASN 44 -3.929 -7.101 -3.528 395 HB2 ASN 44 2HB ASN 44 -2.519 -6.062 -5.413 396 HB3 ASN 44 1HB ASN 44 -4.184 -6.495 -5.802 397 HD21 ASN 44 1HD2 ASN 44 -5.643 -4.804 -6.351 398 HD22 ASN 44 2HD2 ASN 44 -5.185 -3.171 -6.430 399 H ASN 45 H ASN 45 -3.134 -3.578 -3.391 400 HA ASN 45 HA ASN 45 -0.535 -4.221 -2.204 401 HB2 ASN 45 2HB ASN 45 -0.164 -1.831 -2.141 402 HB3 ASN 45 1HB ASN 45 -0.887 -2.246 -3.693 403 HD21 ASN 45 1HD2 ASN 45 -2.177 -0.455 -4.194 404 HD22 ASN 45 2HD2 ASN 45 -3.334 0.218 -3.150 405 H TYR 46 H TYR 46 -3.262 -4.767 -0.713 406 HA TYR 46 HA TYR 46 -2.143 -3.883 1.891 407 HB2 TYR 46 2HB TYR 46 -4.087 -2.321 0.775 408 HB3 TYR 46 1HB TYR 46 -5.093 -3.456 1.670 409 HD1 TYR 46 1HD TYR 46 -3.738 -4.064 4.082 410 HD2 TYR 46 2HD TYR 46 -3.764 -0.319 1.977 411 HE1 TYR 46 1HE TYR 46 -3.223 -2.873 6.194 412 HE2 TYR 46 2HE TYR 46 -3.251 0.870 4.090 413 HH TYR 46 HH TYR 46 -1.982 -0.040 6.448 414 H ILE 47 H ILE 47 -5.057 -5.588 0.560 415 HA ILE 47 HA ILE 47 -4.199 -7.951 2.122 416 HB ILE 47 HB ILE 47 -6.006 -8.151 3.559 417 HG12 ILE 47 2HG1 ILE 47 -7.849 -7.991 1.889 418 HG13 ILE 47 1HG1 ILE 47 -8.187 -7.085 3.345 419 HG21 ILE 47 1HG2 ILE 47 -6.476 -5.959 4.589 420 HG22 ILE 47 2HG2 ILE 47 -5.761 -5.154 3.195 421 HG23 ILE 47 3HG2 ILE 47 -4.766 -6.179 4.231 422 HD11 ILE 47 3HD1 ILE 47 -6.877 -5.590 1.121 423 HD12 ILE 47 1HD1 ILE 47 -8.044 -5.043 2.316 424 HD13 ILE 47 2HD1 ILE 47 -8.573 -6.009 0.943 425 H ASN 48 H ASN 48 -4.272 -9.606 0.858 426 HA ASN 48 HA ASN 48 -6.542 -10.525 -0.566 427 HB2 ASN 48 2HB ASN 48 -6.401 -9.412 -2.555 428 HB3 ASN 48 1HB ASN 48 -4.942 -8.613 -2.033 429 HD21 ASN 48 1HD2 ASN 48 -2.934 -9.336 -2.892 430 HD22 ASN 48 2HD2 ASN 48 -2.812 -10.599 -4.018 431 HA PRO 49 HA PRO 49 -2.910 -13.490 -1.036 432 HB2 PRO 49 2HB PRO 49 -0.324 -12.576 -0.983 433 HB3 PRO 49 1HB PRO 49 -1.360 -12.442 -2.416 434 HG2 PRO 49 2HG PRO 49 -0.385 -10.311 -0.682 435 HG3 PRO 49 1HG PRO 49 -1.203 -10.179 -2.240 436 HD2 PRO 49 2HD PRO 49 -2.370 -9.962 0.484 437 HD3 PRO 49 1HD PRO 49 -3.041 -9.431 -1.063 438 H ALA 50 H ALA 50 -2.871 -11.319 1.597 439 HA ALA 50 HA ALA 50 -2.612 -11.746 3.891 440 HB1 ALA 50 1HB ALA 50 -1.434 -14.480 3.424 441 HB2 ALA 50 2HB ALA 50 -3.138 -14.227 3.051 442 HB3 ALA 50 3HB ALA 50 -2.542 -13.937 4.684 443 H LEU 51 H LEU 51 -0.811 -10.223 2.781 444 HA LEU 51 HA LEU 51 1.920 -11.290 3.331 445 HB2 LEU 51 2HB LEU 51 2.527 -8.927 2.350 446 HB3 LEU 51 1HB LEU 51 1.951 -10.183 1.260 447 HG LEU 51 HG LEU 51 -0.323 -9.250 1.361 448 HD11 LEU 51 1HD1 LEU 51 -0.514 -8.282 3.507 449 HD12 LEU 51 2HD1 LEU 51 -0.514 -6.906 2.411 450 HD13 LEU 51 3HD1 LEU 51 0.953 -7.326 3.299 451 HD21 LEU 51 3HD2 LEU 51 1.711 -7.099 0.789 452 HD22 LEU 51 1HD2 LEU 51 0.117 -7.260 0.058 453 HD23 LEU 51 2HD2 LEU 51 1.377 -8.442 -0.302 454 H ARG 52 H ARG 52 -0.023 -10.649 5.484 455 HA ARG 52 HA ARG 52 0.311 -8.220 6.777 456 HB2 ARG 52 2HB ARG 52 -1.097 -9.990 7.693 457 HB3 ARG 52 1HB ARG 52 0.314 -10.997 8.000 458 HG2 ARG 52 2HG ARG 52 -0.530 -9.847 10.052 459 HG3 ARG 52 1HG ARG 52 1.135 -9.424 9.676 460 HD2 ARG 52 2HD ARG 52 0.540 -7.266 8.921 461 HD3 ARG 52 1HD ARG 52 -1.146 -7.719 8.665 462 HE ARG 52 HE ARG 52 -0.409 -7.957 11.452 463 HH11 ARG 52 1HH2 ARG 52 -1.238 -5.776 8.912 464 HH12 ARG 52 2HH2 ARG 52 -1.895 -4.578 9.976 465 HH21 ARG 52 1HH1 ARG 52 -1.262 -6.404 12.855 466 HH22 ARG 52 2HH1 ARG 52 -1.908 -4.933 12.208 467 H THR 53 H THR 53 2.766 -10.502 6.049 468 HA THR 53 HA THR 53 4.824 -8.753 7.119 469 HB THR 53 HB THR 53 4.465 -11.477 8.409 470 HG1 THR 53 1HG THR 53 3.305 -10.411 9.769 471 HG21 THR 53 3HG2 THR 53 6.532 -9.290 8.735 472 HG22 THR 53 1HG2 THR 53 6.806 -10.947 8.197 473 HG23 THR 53 2HG2 THR 53 6.341 -10.628 9.868 474 H ASP 54 H ASP 54 5.428 -8.927 4.856 475 HA ASP 54 HA ASP 54 6.982 -11.412 4.257 476 HB2 ASP 54 2HB ASP 54 4.712 -11.450 3.112 477 HB3 ASP 54 1HB ASP 54 5.232 -10.025 2.212 478 HA PRO 55 HA PRO 55 9.353 -7.345 3.852 479 HB2 PRO 55 2HB PRO 55 11.351 -9.470 4.635 480 HB3 PRO 55 1HB PRO 55 11.306 -7.754 5.095 481 HG2 PRO 55 2HG PRO 55 10.468 -9.548 6.803 482 HG3 PRO 55 1HG PRO 55 9.516 -8.069 6.560 483 HD2 PRO 55 2HD PRO 55 8.957 -10.849 5.547 484 HD3 PRO 55 1HD PRO 55 7.815 -9.613 6.128 485 H TRP 56 H TRP 56 10.246 -6.784 1.931 486 HA TRP 56 HA TRP 56 10.610 -8.845 -0.135 487 HB2 TRP 56 2HB TRP 56 11.450 -6.621 -1.411 488 HB3 TRP 56 1HB TRP 56 9.752 -7.029 -1.238 489 HD1 TRP 56 HD TRP 56 8.337 -5.694 0.602 490 HE1 TRP 56 1HE TRP 56 8.653 -3.320 1.550 491 HE3 TRP 56 3HE TRP 56 13.249 -4.952 -0.560 492 HZ2 TRP 56 2HZ TRP 56 10.744 -1.372 1.796 493 HZ3 TRP 56 3HZ TRP 56 14.371 -2.841 0.051 494 HH2 TRP 56 HH TRP 56 13.135 -1.051 1.235 495 H SER 57 H SER 57 12.684 -8.289 -1.620 496 HA SER 57 HA SER 57 15.073 -8.508 0.195 497 HB2 SER 57 2HB SER 57 15.210 -9.747 -2.511 498 HB3 SER 57 1HB SER 57 15.700 -10.407 -0.948 499 HG SER 57 HG SER 57 13.939 -11.550 -1.519 500 HA PRO 58 HA PRO 58 17.499 -5.499 -1.952 501 HB2 PRO 58 2HB PRO 58 18.919 -7.567 -3.613 502 HB3 PRO 58 1HB PRO 58 19.603 -6.243 -2.641 503 HG2 PRO 58 2HG PRO 58 19.685 -8.684 -1.695 504 HG3 PRO 58 1HG PRO 58 19.187 -7.359 -0.621 505 HD2 PRO 58 2HD PRO 58 17.462 -9.388 -2.022 506 HD3 PRO 58 1HD PRO 58 17.346 -8.799 -0.346 507 H GLU 59 H GLU 59 15.685 -7.636 -3.928 508 HA GLU 59 HA GLU 59 16.127 -6.388 -6.476 509 HB2 GLU 59 2HB GLU 59 13.680 -7.918 -5.537 510 HB3 GLU 59 1HB GLU 59 14.173 -7.639 -7.208 511 HG2 GLU 59 2HG GLU 59 16.294 -8.886 -6.733 512 HG3 GLU 59 1HG GLU 59 15.665 -9.267 -5.131 513 H GLU 60 H GLU 60 13.679 -5.998 -3.901 514 HA GLU 60 HA GLU 60 12.404 -3.795 -5.379 515 HB2 GLU 60 2HB GLU 60 11.975 -4.618 -2.508 516 HB3 GLU 60 1HB GLU 60 10.885 -3.684 -3.521 517 HG2 GLU 60 2HG GLU 60 11.686 -6.574 -3.971 518 HG3 GLU 60 1HG GLU 60 10.127 -6.020 -3.364 519 H ASP 61 H ASP 61 14.893 -4.258 -2.972 520 HA ASP 61 HA ASP 61 14.874 -1.587 -1.892 521 HB2 ASP 61 2HB ASP 61 16.157 -3.774 -1.091 522 HB3 ASP 61 1HB ASP 61 17.430 -3.178 -2.147 523 H MET 62 H MET 62 17.051 -3.105 -4.290 524 HA MET 62 HA MET 62 18.296 -0.691 -5.121 525 HB2 MET 62 2HB MET 62 17.826 -3.306 -6.581 526 HB3 MET 62 1HB MET 62 18.813 -1.998 -7.232 527 HG2 MET 62 2HG MET 62 20.325 -2.119 -5.335 528 HG3 MET 62 1HG MET 62 19.289 -3.305 -4.539 529 HE1 MET 62 3HE MET 62 21.244 -5.161 -4.271 530 HE2 MET 62 1HE MET 62 22.152 -3.713 -4.730 531 HE3 MET 62 2HE MET 62 22.501 -5.258 -5.500 532 H LEU 63 H LEU 63 15.303 -2.288 -6.121 533 HA LEU 63 HA LEU 63 14.849 -0.402 -8.327 534 HB2 LEU 63 2HB LEU 63 13.939 -2.808 -8.158 535 HB3 LEU 63 1HB LEU 63 12.768 -2.161 -7.016 536 HG LEU 63 HG LEU 63 12.282 -0.381 -8.901 537 HD11 LEU 63 1HD1 LEU 63 12.545 -1.413 -11.187 538 HD12 LEU 63 2HD1 LEU 63 13.583 -2.638 -10.465 539 HD13 LEU 63 3HD1 LEU 63 14.070 -0.945 -10.445 540 HD21 LEU 63 3HD2 LEU 63 11.425 -3.285 -9.105 541 HD22 LEU 63 1HD2 LEU 63 10.628 -1.949 -9.938 542 HD23 LEU 63 2HD2 LEU 63 10.628 -2.016 -8.175 543 H LEU 64 H LEU 64 14.013 -0.625 -4.930 544 HA LEU 64 HA LEU 64 11.947 1.403 -4.987 545 HB2 LEU 64 2HB LEU 64 11.941 -0.097 -3.132 546 HB3 LEU 64 1HB LEU 64 13.637 0.203 -2.780 547 HG LEU 64 HG LEU 64 11.885 2.629 -2.686 548 HD11 LEU 64 1HD1 LEU 64 11.564 0.332 -0.741 549 HD12 LEU 64 2HD1 LEU 64 10.305 1.182 -1.635 550 HD13 LEU 64 3HD1 LEU 64 11.149 1.992 -0.317 551 HD21 LEU 64 3HD2 LEU 64 13.290 3.226 -0.838 552 HD22 LEU 64 1HD2 LEU 64 14.364 2.460 -2.004 553 HD23 LEU 64 2HD2 LEU 64 13.812 1.560 -0.597 554 H ASP 65 H ASP 65 15.428 1.443 -4.190 555 HA ASP 65 HA ASP 65 15.706 4.112 -3.411 556 HB2 ASP 65 2HB ASP 65 17.532 2.360 -3.545 557 HB3 ASP 65 1HB ASP 65 17.626 2.692 -5.275 558 H GLN 66 H GLN 66 15.306 2.808 -6.672 559 HA GLN 66 HA GLN 66 15.762 5.392 -7.958 560 HB2 GLN 66 2HB GLN 66 14.534 2.851 -9.061 561 HB3 GLN 66 1HB GLN 66 15.075 4.233 -10.013 562 HG2 GLN 66 2HG GLN 66 16.889 2.659 -8.167 563 HG3 GLN 66 1HG GLN 66 16.748 2.349 -9.898 564 HE21 GLN 66 1HE2 GLN 66 18.675 3.954 -7.731 565 HE22 GLN 66 2HE2 GLN 66 19.246 5.204 -8.728 566 H LYS 67 H LYS 67 12.887 3.420 -7.201 567 HA LYS 67 HA LYS 67 11.067 5.357 -8.389 568 HB2 LYS 67 2HB LYS 67 10.471 3.151 -6.396 569 HB3 LYS 67 1HB LYS 67 9.296 3.981 -7.411 570 HG2 LYS 67 2HG LYS 67 11.641 2.463 -8.587 571 HG3 LYS 67 1HG LYS 67 10.110 1.674 -8.220 572 HD2 LYS 67 2HD LYS 67 8.980 3.450 -9.661 573 HD3 LYS 67 1HD LYS 67 10.594 3.934 -10.180 574 HE2 LYS 67 2HE LYS 67 11.007 1.561 -10.892 575 HE3 LYS 67 1HE LYS 67 9.317 1.211 -10.530 576 HZ1 LYS 67 3HZ LYS 67 8.590 2.404 -12.294 577 HZ2 LYS 67 1HZ LYS 67 10.110 1.976 -12.913 578 HZ3 LYS 67 2HZ LYS 67 9.874 3.515 -12.232 579 H TYR 68 H TYR 68 11.723 4.438 -4.993 580 HA TYR 68 HA TYR 68 10.106 6.396 -3.766 581 HB2 TYR 68 2HB TYR 68 10.998 4.787 -2.291 582 HB3 TYR 68 1HB TYR 68 12.625 4.961 -2.935 583 HD1 TYR 68 2HD TYR 68 13.972 6.997 -2.409 584 HD2 TYR 68 1HD TYR 68 10.216 6.190 -0.490 585 HE1 TYR 68 2HE TYR 68 14.531 8.631 -0.637 586 HE2 TYR 68 1HE TYR 68 10.774 7.826 1.283 587 HH TYR 68 HH TYR 68 13.087 10.110 1.021 588 H ALA 69 H ALA 69 13.430 6.647 -4.970 589 HA ALA 69 HA ALA 69 14.098 9.203 -4.020 590 HB1 ALA 69 1HB ALA 69 14.784 7.752 -6.583 591 HB2 ALA 69 2HB ALA 69 15.790 7.971 -5.152 592 HB3 ALA 69 3HB ALA 69 15.458 9.339 -6.211 593 H GLU 70 H GLU 70 12.084 8.268 -6.768 594 HA GLU 70 HA GLU 70 11.623 11.099 -7.521 595 HB2 GLU 70 2HB GLU 70 10.824 8.428 -8.698 596 HB3 GLU 70 1HB GLU 70 10.190 9.954 -9.315 597 HG2 GLU 70 2HG GLU 70 13.154 9.394 -9.041 598 HG3 GLU 70 1HG GLU 70 12.249 9.071 -10.520 599 H TYR 71 H TYR 71 9.639 8.243 -6.682 600 HA TYR 71 HA TYR 71 7.253 9.832 -6.297 601 HB2 TYR 71 2HB TYR 71 7.918 6.970 -5.597 602 HB3 TYR 71 1HB TYR 71 6.319 7.683 -5.418 603 HD1 TYR 71 2HD TYR 71 5.144 8.638 -7.442 604 HD2 TYR 71 1HD TYR 71 8.702 6.251 -7.747 605 HE1 TYR 71 2HE TYR 71 4.668 8.232 -9.841 606 HE2 TYR 71 1HE TYR 71 8.224 5.845 -10.145 607 HH TYR 71 HH TYR 71 6.361 5.871 -11.676 608 H GLY 72 H GLY 72 9.557 8.304 -4.049 609 HA2 GLY 72 2HA GLY 72 10.105 9.192 -1.881 610 HA3 GLY 72 1HA GLY 72 8.678 10.226 -1.962 611 HA PRO 73 HA PRO 73 7.737 6.670 0.876 612 HB2 PRO 73 2HB PRO 73 6.077 8.756 2.219 613 HB3 PRO 73 1HB PRO 73 7.261 7.636 2.925 614 HG2 PRO 73 2HG PRO 73 7.808 10.246 2.635 615 HG3 PRO 73 1HG PRO 73 9.058 9.006 2.416 616 HD2 PRO 73 2HD PRO 73 7.540 10.540 0.310 617 HD3 PRO 73 1HD PRO 73 9.260 10.079 0.344 618 H LYS 74 H LYS 74 6.272 7.775 -1.669 619 HA LYS 74 HA LYS 74 3.443 7.349 -0.965 620 HB2 LYS 74 2HB LYS 74 4.947 7.799 -3.544 621 HB3 LYS 74 1HB LYS 74 3.232 7.406 -3.540 622 HG2 LYS 74 2HG LYS 74 2.810 9.365 -2.072 623 HG3 LYS 74 1HG LYS 74 4.524 9.774 -2.151 624 HD2 LYS 74 2HD LYS 74 4.403 10.165 -4.523 625 HD3 LYS 74 1HD LYS 74 2.769 9.505 -4.604 626 HE2 LYS 74 2HE LYS 74 2.971 12.065 -4.584 627 HE3 LYS 74 1HE LYS 74 1.848 11.353 -3.424 628 HZ1 LYS 74 3HZ LYS 74 3.449 11.561 -1.700 629 HZ2 LYS 74 1HZ LYS 74 3.351 13.066 -2.476 630 HZ3 LYS 74 2HZ LYS 74 4.665 12.034 -2.789 631 H TRP 75 H TRP 75 4.153 5.187 0.008 632 HA TRP 75 HA TRP 75 5.066 3.024 -1.530 633 HB2 TRP 75 2HB TRP 75 3.024 2.668 0.661 634 HB3 TRP 75 1HB TRP 75 4.408 1.651 0.266 635 HD1 TRP 75 HD TRP 75 3.389 3.959 2.789 636 HE1 TRP 75 1HE TRP 75 5.386 5.037 4.004 637 HE3 TRP 75 3HE TRP 75 7.150 2.886 -0.513 638 HZ2 TRP 75 2HZ TRP 75 8.188 5.402 3.639 639 HZ3 TRP 75 3HZ TRP 75 9.463 3.618 -0.049 640 HH2 TRP 75 HH TRP 75 9.990 4.875 2.018 641 H ASN 76 H ASN 76 2.271 4.776 -1.860 642 HA ASN 76 HA ASN 76 0.476 2.672 -2.733 643 HB2 ASN 76 2HB ASN 76 -0.745 4.695 -3.764 644 HB3 ASN 76 1HB ASN 76 -0.557 4.688 -2.011 645 HD21 ASN 76 1HD2 ASN 76 -0.254 6.714 -4.629 646 HD22 ASN 76 2HD2 ASN 76 0.922 7.778 -4.024 647 H LYS 77 H LYS 77 2.883 4.764 -4.217 648 HA LYS 77 HA LYS 77 2.239 3.843 -6.947 649 HB2 LYS 77 2HB LYS 77 4.556 5.504 -5.910 650 HB3 LYS 77 1HB LYS 77 4.135 5.267 -7.603 651 HG2 LYS 77 2HG LYS 77 2.158 6.444 -5.632 652 HG3 LYS 77 1HG LYS 77 3.333 7.455 -6.466 653 HD2 LYS 77 2HD LYS 77 2.452 6.502 -8.654 654 HD3 LYS 77 1HD LYS 77 1.152 5.764 -7.719 655 HE2 LYS 77 2HE LYS 77 0.363 7.889 -8.578 656 HE3 LYS 77 1HE LYS 77 0.576 8.037 -6.834 657 HZ1 LYS 77 3HZ LYS 77 2.666 9.114 -7.164 658 HZ2 LYS 77 1HZ LYS 77 1.510 9.915 -8.110 659 HZ3 LYS 77 2HZ LYS 77 2.609 8.845 -8.841 660 H ILE 78 H ILE 78 4.686 3.375 -4.443 661 HA ILE 78 HA ILE 78 6.446 1.741 -6.010 662 HB ILE 78 HB ILE 78 6.060 1.536 -3.015 663 HG12 ILE 78 2HG1 ILE 78 6.180 3.893 -3.433 664 HG13 ILE 78 1HG1 ILE 78 7.784 3.395 -2.909 665 HG21 ILE 78 1HG2 ILE 78 8.585 1.402 -4.684 666 HG22 ILE 78 2HG2 ILE 78 7.630 -0.023 -4.271 667 HG23 ILE 78 3HG2 ILE 78 8.382 0.934 -2.996 668 HD11 ILE 78 3HD1 ILE 78 8.201 4.768 -4.783 669 HD12 ILE 78 1HD1 ILE 78 6.846 4.096 -5.688 670 HD13 ILE 78 2HD1 ILE 78 8.303 3.136 -5.437 671 H SER 79 H SER 79 4.013 0.841 -3.541 672 HA SER 79 HA SER 79 4.205 -1.941 -3.794 673 HB2 SER 79 2HB SER 79 2.058 -2.090 -2.818 674 HB3 SER 79 1HB SER 79 2.704 -0.566 -2.222 675 HG SER 79 HG SER 79 0.734 -1.062 -4.160 676 H LYS 80 H LYS 80 2.905 0.302 -6.117 677 HA LYS 80 HA LYS 80 1.395 -1.718 -7.593 678 HB2 LYS 80 2HB LYS 80 2.281 1.104 -8.251 679 HB3 LYS 80 1HB LYS 80 1.406 0.091 -9.400 680 HG2 LYS 80 2HG LYS 80 -0.469 -0.122 -7.866 681 HG3 LYS 80 1HG LYS 80 0.416 0.735 -6.608 682 HD2 LYS 80 2HD LYS 80 -1.094 2.321 -7.616 683 HD3 LYS 80 1HD LYS 80 0.534 2.730 -8.151 684 HE2 LYS 80 2HE LYS 80 0.165 1.860 -10.323 685 HE3 LYS 80 1HE LYS 80 -1.242 0.928 -9.811 686 HZ1 LYS 80 3HZ LYS 80 -1.821 3.535 -9.175 687 HZ2 LYS 80 1HZ LYS 80 -2.460 2.638 -10.465 688 HZ3 LYS 80 2HZ LYS 80 -1.095 3.619 -10.709 689 H PHE 81 H PHE 81 4.676 -0.704 -7.383 690 HA PHE 81 HA PHE 81 5.412 -1.847 -10.009 691 HB2 PHE 81 2HB PHE 81 6.846 -0.376 -7.799 692 HB3 PHE 81 1HB PHE 81 7.794 -1.313 -8.953 693 HD1 PHE 81 1HD PHE 81 7.282 -0.915 -11.483 694 HD2 PHE 81 2HD PHE 81 6.209 1.838 -8.365 695 HE1 PHE 81 1HE PHE 81 7.109 0.911 -13.152 696 HE2 PHE 81 2HE PHE 81 6.037 3.662 -10.034 697 HZ PHE 81 HZ PHE 81 6.487 3.199 -12.428 698 H LEU 82 H LEU 82 4.900 -2.835 -6.828 699 HA LEU 82 HA LEU 82 6.678 -5.233 -7.028 700 HB2 LEU 82 2HB LEU 82 5.156 -3.872 -4.797 701 HB3 LEU 82 1HB LEU 82 5.762 -5.513 -4.606 702 HG LEU 82 HG LEU 82 8.028 -4.832 -4.734 703 HD11 LEU 82 1HD1 LEU 82 8.027 -3.409 -6.692 704 HD12 LEU 82 2HD1 LEU 82 8.677 -2.467 -5.358 705 HD13 LEU 82 3HD1 LEU 82 7.017 -2.219 -5.881 706 HD21 LEU 82 3HD2 LEU 82 8.229 -2.989 -3.100 707 HD22 LEU 82 1HD2 LEU 82 6.958 -4.112 -2.641 708 HD23 LEU 82 2HD2 LEU 82 6.539 -2.570 -3.372 709 H LYS 83 H LYS 83 3.340 -4.566 -5.913 710 HA LYS 83 HA LYS 83 1.344 -5.671 -6.353 711 HB2 LYS 83 2HB LYS 83 2.568 -5.740 -8.739 712 HB3 LYS 83 1HB LYS 83 2.640 -7.463 -8.402 713 HG2 LYS 83 2HG LYS 83 0.227 -7.579 -8.158 714 HG3 LYS 83 1HG LYS 83 0.078 -5.829 -8.293 715 HD2 LYS 83 2HD LYS 83 1.185 -7.629 -10.472 716 HD3 LYS 83 1HD LYS 83 -0.468 -7.026 -10.422 717 HE2 LYS 83 2HE LYS 83 0.770 -4.655 -10.199 718 HE3 LYS 83 1HE LYS 83 2.070 -5.534 -11.007 719 HZ1 LYS 83 3HZ LYS 83 0.849 -5.814 -12.880 720 HZ2 LYS 83 1HZ LYS 83 0.169 -4.354 -12.349 721 HZ3 LYS 83 2HZ LYS 83 -0.641 -5.819 -12.064 722 H ASN 84 H ASN 84 3.976 -6.784 -4.970 723 HA ASN 84 HA ASN 84 2.805 -9.458 -4.294 724 HB2 ASN 84 2HB ASN 84 5.709 -8.610 -4.467 725 HB3 ASN 84 1HB ASN 84 5.162 -10.159 -3.823 726 HD21 ASN 84 1HD2 ASN 84 2.959 -9.463 -6.188 727 HD22 ASN 84 2HD2 ASN 84 3.698 -10.229 -7.509 728 H ARG 85 H ARG 85 4.046 -6.424 -3.218 729 HA ARG 85 HA ARG 85 3.794 -7.277 -0.340 730 HB2 ARG 85 2HB ARG 85 5.282 -4.800 -1.200 731 HB3 ARG 85 1HB ARG 85 5.513 -5.791 0.236 732 HG2 ARG 85 2HG ARG 85 6.199 -6.681 -2.589 733 HG3 ARG 85 1HG ARG 85 7.355 -6.060 -1.432 734 HD2 ARG 85 2HD ARG 85 6.793 -7.891 0.128 735 HD3 ARG 85 1HD ARG 85 5.658 -8.539 -1.054 736 HE ARG 85 HE ARG 85 8.036 -8.372 -2.460 737 HH11 ARG 85 1HH2 ARG 85 7.001 -9.735 0.533 738 HH12 ARG 85 2HH2 ARG 85 8.142 -11.037 0.486 739 HH21 ARG 85 1HH1 ARG 85 9.531 -10.063 -2.537 740 HH22 ARG 85 2HH1 ARG 85 9.575 -11.223 -1.251 741 H SER 86 H SER 86 3.286 -5.182 1.005 742 HA SER 86 HA SER 86 1.093 -3.642 -0.341 743 HB2 SER 86 2HB SER 86 -0.196 -4.971 1.069 744 HB3 SER 86 1HB SER 86 1.133 -5.227 2.195 745 HG SER 86 HG SER 86 -0.509 -2.940 1.885 746 H ASP 87 H ASP 87 0.725 -1.568 0.671 747 HA ASP 87 HA ASP 87 3.098 -0.101 1.139 748 HB2 ASP 87 2HB ASP 87 1.473 1.649 2.116 749 HB3 ASP 87 1HB ASP 87 1.189 1.148 0.449 750 H ASN 88 H ASN 88 0.967 -1.834 3.277 751 HA ASN 88 HA ASN 88 2.010 -0.767 5.750 752 HB2 ASN 88 2HB ASN 88 -0.148 -1.950 5.678 753 HB3 ASN 88 1HB ASN 88 0.668 -3.429 5.168 754 HD21 ASN 88 1HD2 ASN 88 0.769 -1.023 7.858 755 HD22 ASN 88 2HD2 ASN 88 1.158 -2.161 9.056 756 H ASN 89 H ASN 89 3.005 -3.273 3.506 757 HA ASN 89 HA ASN 89 5.001 -4.414 5.337 758 HB2 ASN 89 2HB ASN 89 3.780 -5.694 3.503 759 HB3 ASN 89 1HB ASN 89 4.749 -4.790 2.338 760 HD21 ASN 89 1HD2 ASN 89 5.807 -6.856 1.699 761 HD22 ASN 89 2HD2 ASN 89 7.006 -7.539 2.687 762 H ILE 90 H ILE 90 4.857 -2.211 2.593 763 HA ILE 90 HA ILE 90 7.741 -1.854 2.419 764 HB ILE 90 HB ILE 90 5.501 -0.142 1.312 765 HG12 ILE 90 2HG1 ILE 90 7.031 -2.366 -0.060 766 HG13 ILE 90 1HG1 ILE 90 5.444 -2.594 0.656 767 HG21 ILE 90 1HG2 ILE 90 7.223 0.520 -0.352 768 HG22 ILE 90 2HG2 ILE 90 8.413 -0.446 0.519 769 HG23 ILE 90 3HG2 ILE 90 7.692 0.968 1.287 770 HD11 ILE 90 3HD1 ILE 90 4.673 -0.626 -0.816 771 HD12 ILE 90 1HD1 ILE 90 5.007 -2.157 -1.619 772 HD13 ILE 90 2HD1 ILE 90 6.189 -0.851 -1.690 773 H ARG 91 H ARG 91 5.035 0.224 3.447 774 HA ARG 91 HA ARG 91 6.498 2.408 4.450 775 HB2 ARG 91 2HB ARG 91 3.977 2.211 4.290 776 HB3 ARG 91 1HB ARG 91 4.025 1.218 5.739 777 HG2 ARG 91 2HG ARG 91 5.266 3.156 6.864 778 HG3 ARG 91 1HG ARG 91 4.827 4.122 5.458 779 HD2 ARG 91 2HD ARG 91 2.423 3.460 5.877 780 HD3 ARG 91 1HD ARG 91 2.959 2.757 7.403 781 HE ARG 91 HE ARG 91 3.120 4.941 8.274 782 HH11 ARG 91 1HH2 ARG 91 3.103 4.924 4.826 783 HH12 ARG 91 2HH2 ARG 91 3.038 6.650 4.686 784 HH21 ARG 91 1HH1 ARG 91 3.035 7.194 8.110 785 HH22 ARG 91 2HH1 ARG 91 3.000 7.934 6.545 786 H ASN 92 H ASN 92 5.897 -0.752 5.818 787 HA ASN 92 HA ASN 92 6.951 -0.111 8.461 788 HB2 ASN 92 2HB ASN 92 5.373 -1.971 8.154 789 HB3 ASN 92 1HB ASN 92 6.522 -2.785 7.091 790 HD21 ASN 92 1HD2 ASN 92 6.497 -1.339 10.408 791 HD22 ASN 92 2HD2 ASN 92 7.435 -2.570 11.104 792 H ARG 93 H ARG 93 8.214 -1.569 5.492 793 HA ARG 93 HA ARG 93 10.774 -2.330 6.539 794 HB2 ARG 93 2HB ARG 93 9.645 -1.691 3.825 795 HB3 ARG 93 1HB ARG 93 11.371 -1.989 3.986 796 HG2 ARG 93 2HG ARG 93 9.460 -3.969 5.231 797 HG3 ARG 93 1HG ARG 93 9.643 -3.989 3.485 798 HD2 ARG 93 2HD ARG 93 11.232 -5.538 4.326 799 HD3 ARG 93 1HD ARG 93 12.162 -4.121 3.865 800 HE ARG 93 HE ARG 93 12.720 -3.837 6.138 801 HH11 ARG 93 1HH2 ARG 93 9.940 -5.839 5.729 802 HH12 ARG 93 2HH2 ARG 93 9.820 -6.241 7.410 803 HH21 ARG 93 1HH1 ARG 93 12.575 -4.352 8.331 804 HH22 ARG 93 2HH1 ARG 93 11.311 -5.400 8.882 805 H TRP 94 H TRP 94 9.843 0.488 4.574 806 HA TRP 94 HA TRP 94 12.213 1.934 4.590 807 HB2 TRP 94 2HB TRP 94 10.181 2.674 3.404 808 HB3 TRP 94 1HB TRP 94 9.422 3.069 4.947 809 HD1 TRP 94 HD TRP 94 12.723 3.961 3.119 810 HE1 TRP 94 1HE TRP 94 13.228 6.451 3.556 811 HE3 TRP 94 3HE TRP 94 8.787 5.138 6.150 812 HZ2 TRP 94 2HZ TRP 94 12.109 8.651 5.002 813 HZ3 TRP 94 3HZ TRP 94 8.530 7.435 7.042 814 HH2 TRP 94 HH TRP 94 10.184 9.192 6.472 815 H MET 95 H MET 95 9.813 1.736 7.200 816 HA MET 95 HA MET 95 11.099 3.698 8.878 817 HB2 MET 95 2HB MET 95 9.187 1.426 9.487 818 HB3 MET 95 1HB MET 95 9.746 2.569 10.709 819 HG2 MET 95 2HG MET 95 8.427 3.440 8.127 820 HG3 MET 95 1HG MET 95 7.529 3.160 9.619 821 HE1 MET 95 3HE MET 95 7.325 6.847 10.032 822 HE2 MET 95 1HE MET 95 6.662 5.279 10.514 823 HE3 MET 95 2HE MET 95 6.833 5.681 8.807 824 H MET 96 H MET 96 11.492 0.214 8.434 825 HA MET 96 HA MET 96 13.302 -0.045 10.722 826 HB2 MET 96 2HB MET 96 11.885 -1.941 9.991 827 HB3 MET 96 1HB MET 96 12.730 -1.968 8.444 828 HG2 MET 96 2HG MET 96 14.766 -2.670 9.434 829 HG3 MET 96 1HG MET 96 14.247 -2.198 11.052 830 HE1 MET 96 3HE MET 96 15.195 -4.501 11.820 831 HE2 MET 96 1HE MET 96 15.560 -4.988 10.159 832 HE3 MET 96 2HE MET 96 14.656 -6.067 11.219 833 H ILE 97 H ILE 97 13.562 0.391 7.224 834 HA ILE 97 HA ILE 97 16.474 0.026 7.262 835 HB ILE 97 HB ILE 97 14.454 0.797 5.137 836 HG12 ILE 97 2HG1 ILE 97 15.628 -1.200 3.994 837 HG13 ILE 97 1HG1 ILE 97 16.380 -1.512 5.553 838 HG21 ILE 97 1HG2 ILE 97 16.486 0.818 3.548 839 HG22 ILE 97 2HG2 ILE 97 17.468 1.033 4.998 840 HG23 ILE 97 3HG2 ILE 97 16.259 2.242 4.564 841 HD11 ILE 97 3HD1 ILE 97 14.293 -2.832 5.183 842 HD12 ILE 97 1HD1 ILE 97 13.391 -1.322 5.094 843 HD13 ILE 97 2HD1 ILE 97 14.193 -1.784 6.595 844 H ALA 98 H ALA 98 14.140 2.656 7.269 845 HA ALA 98 HA ALA 98 16.123 4.743 6.915 846 HB1 ALA 98 1HB ALA 98 14.316 6.280 7.539 847 HB2 ALA 98 2HB ALA 98 13.336 4.926 8.101 848 HB3 ALA 98 3HB ALA 98 13.717 5.088 6.386 849 H ARG 99 H ARG 99 15.132 2.770 9.533 850 HA ARG 99 HA ARG 99 15.791 4.614 11.666 851 HB2 ARG 99 2HB ARG 99 14.301 2.687 12.053 852 HB3 ARG 99 1HB ARG 99 15.622 1.583 11.667 853 HG2 ARG 99 2HG ARG 99 16.890 2.302 13.582 854 HG3 ARG 99 1HG ARG 99 15.773 3.633 13.892 855 HD2 ARG 99 2HD ARG 99 14.002 2.103 14.480 856 HD3 ARG 99 1HD ARG 99 14.957 0.716 13.956 857 HE ARG 99 HE ARG 99 16.047 0.772 16.042 858 HH11 ARG 99 1HH2 ARG 99 14.539 3.784 15.300 859 HH12 ARG 99 2HH2 ARG 99 14.893 4.492 16.840 860 HH21 ARG 99 1HH1 ARG 99 16.517 1.680 18.057 861 HH22 ARG 99 2HH1 ARG 99 16.013 3.302 18.401 862 H HIS 100 H HIS 100 17.557 2.575 9.525 863 HA HIS 100 HA HIS 100 19.954 2.464 11.227 864 HB2 HIS 100 2HB HIS 100 19.373 0.575 9.719 865 HB3 HIS 100 1HB HIS 100 19.561 1.649 8.332 866 HD1 HIS 100 1HD HIS 100 21.754 1.164 7.254 867 HD2 HIS 100 2HD HIS 100 22.033 1.022 11.414 868 HE1 HIS 100 1HE HIS 100 24.191 0.724 7.796 869 HE2 HIS 100 2HE HIS 100 24.371 0.637 10.324 870 H ARG 101 H ARG 101 18.756 4.201 8.393 871 HA ARG 101 HA ARG 101 21.288 5.623 7.989 872 HB2 ARG 101 2HB ARG 101 18.522 5.962 6.796 873 HB3 ARG 101 1HB ARG 101 19.913 6.943 6.333 874 HG2 ARG 101 2HG ARG 101 21.128 4.952 5.613 875 HG3 ARG 101 1HG ARG 101 19.810 3.918 6.165 876 HD2 ARG 101 2HD ARG 101 19.784 4.372 3.686 877 HD3 ARG 101 1HD ARG 101 18.302 4.843 4.519 878 HE ARG 101 HE ARG 101 19.995 7.111 4.490 879 HH11 ARG 101 1HH2 ARG 101 18.335 4.999 2.326 880 HH12 ARG 101 2HH2 ARG 101 18.100 6.213 1.113 881 HH21 ARG 101 1HH1 ARG 101 19.698 8.706 2.916 882 HH22 ARG 101 2HH1 ARG 101 18.872 8.310 1.446 883 H ALA 102 H ALA 102 18.569 5.939 10.019 884 HA ALA 102 HA ALA 102 18.530 8.825 10.246 885 HB1 ALA 102 1HB ALA 102 17.158 8.426 12.244 886 HB2 ALA 102 2HB ALA 102 17.603 6.719 12.224 887 HB3 ALA 102 3HB ALA 102 16.620 7.389 10.923 888 H LYS 103 H LYS 103 20.503 6.296 11.594 889 HA LYS 103 HA LYS 103 21.460 7.809 13.874 890 HB2 LYS 103 2HB LYS 103 22.461 5.357 12.409 891 HB3 LYS 103 1HB LYS 103 23.309 6.036 13.800 892 HG2 LYS 103 2HG LYS 103 21.345 5.732 15.206 893 HG3 LYS 103 1HG LYS 103 20.398 5.190 13.820 894 HD2 LYS 103 2HD LYS 103 21.972 3.277 13.535 895 HD3 LYS 103 1HD LYS 103 22.820 3.793 14.993 896 HE2 LYS 103 2HE LYS 103 20.773 3.501 16.314 897 HE3 LYS 103 1HE LYS 103 19.884 3.041 14.861 898 HZ1 LYS 103 3HZ LYS 103 21.584 1.224 14.603 899 HZ2 LYS 103 1HZ LYS 103 20.510 1.047 15.904 900 HZ3 LYS 103 2HZ LYS 103 22.098 1.583 16.182 901 H HIS 104 H HIS 104 21.730 8.554 10.741 902 HA HIS 104 HA HIS 104 23.279 9.741 9.438 903 HB2 HIS 104 2HB HIS 104 24.013 10.625 12.241 904 HB3 HIS 104 1HB HIS 104 24.667 11.370 10.783 905 HD1 HIS 104 1HD HIS 104 23.208 13.418 12.135 906 HD2 HIS 104 2HD HIS 104 21.101 10.560 9.944 907 HE1 HIS 104 1HE HIS 104 20.930 14.419 11.654 908 HE2 HIS 104 2HE HIS 104 19.640 12.688 10.321 909 H GLN 105 H GLN 105 24.058 7.045 10.793 910 HA GLN 105 HA GLN 105 26.821 6.982 11.337 911 HB2 GLN 105 2HB GLN 105 25.156 5.072 11.547 912 HB3 GLN 105 1HB GLN 105 25.320 4.841 9.807 913 HG2 GLN 105 2HG GLN 105 26.871 3.329 10.840 914 HG3 GLN 105 1HG GLN 105 27.831 4.655 10.184 915 HE21 GLN 105 1HE2 GLN 105 28.810 6.162 11.705 916 HE22 GLN 105 2HE2 GLN 105 28.878 5.831 13.368 917 H LYS 106 H LYS 106 25.129 7.254 8.276 918 HA LYS 106 HA LYS 106 27.731 7.741 6.912 919 HB2 LYS 106 2HB LYS 106 25.630 5.904 5.727 920 HB3 LYS 106 1HB LYS 106 27.253 6.223 5.114 921 HG2 LYS 106 2HG LYS 106 28.170 5.241 7.246 922 HG3 LYS 106 1HG LYS 106 26.524 4.768 7.669 923 HD2 LYS 106 2HD LYS 106 26.352 3.379 5.688 924 HD3 LYS 106 1HD LYS 106 27.919 3.944 5.109 925 HE2 LYS 106 2HE LYS 106 29.019 2.942 7.069 926 HE3 LYS 106 1HE LYS 106 27.456 2.395 7.674 927 HZ1 LYS 106 3HZ LYS 106 29.059 1.368 5.472 928 HZ2 LYS 106 1HZ LYS 106 27.379 1.381 5.238 929 HZ3 LYS 106 2HZ LYS 106 28.046 0.543 6.557 930 H SER 107 H SER 107 24.173 7.720 6.650 931 HA SER 107 HA SER 107 24.091 9.550 4.423 932 HB2 SER 107 2HB SER 107 22.004 8.905 6.527 933 HB3 SER 107 1HB SER 107 21.697 9.830 5.060 934 HG SER 107 HG SER 107 21.482 7.984 4.101 Start of MODEL 8 1 H1 LYS 1 1HT LYS 1 1.568 5.867 0.626 2 H2 LYS 1 2HT LYS 1 1.000 7.463 0.757 3 H3 LYS 1 3HT LYS 1 0.758 6.586 -0.679 4 HA LYS 1 HA LYS 1 -0.490 4.937 0.869 5 HB2 LYS 1 2HB LYS 1 0.220 6.316 2.888 6 HB3 LYS 1 1HB LYS 1 -0.881 7.569 2.318 7 HG2 LYS 1 2HG LYS 1 -2.781 6.095 2.523 8 HG3 LYS 1 1HG LYS 1 -1.738 4.711 2.853 9 HD2 LYS 1 2HD LYS 1 -0.932 5.866 4.916 10 HD3 LYS 1 1HD LYS 1 -2.096 7.155 4.608 11 HE2 LYS 1 2HE LYS 1 -2.681 4.246 5.200 12 HE3 LYS 1 1HE LYS 1 -3.145 5.654 6.155 13 HZ1 LYS 1 2HZ LYS 1 -4.523 6.396 4.301 14 HZ2 LYS 1 3HZ LYS 1 -5.001 4.861 4.850 15 HZ3 LYS 1 1HZ LYS 1 -4.104 5.005 3.420 16 H VAL 2 H VAL 2 -2.894 5.178 0.712 17 HA VAL 2 HA VAL 2 -3.596 6.640 -1.724 18 HB VAL 2 HB VAL 2 -5.292 4.992 0.179 19 HG11 VAL 2 1HG1 VAL 2 -6.845 6.349 -0.980 20 HG12 VAL 2 2HG1 VAL 2 -6.770 4.899 -1.975 21 HG13 VAL 2 3HG1 VAL 2 -5.888 6.345 -2.462 22 HG21 VAL 2 3HG2 VAL 2 -5.126 3.345 -1.759 23 HG22 VAL 2 1HG2 VAL 2 -3.630 3.600 -0.860 24 HG23 VAL 2 2HG2 VAL 2 -3.864 4.379 -2.425 25 H LYS 3 H LYS 3 -5.669 7.995 -1.695 26 HA LYS 3 HA LYS 3 -5.314 10.286 -0.095 27 HB2 LYS 3 2HB LYS 3 -7.660 9.200 -1.647 28 HB3 LYS 3 1HB LYS 3 -7.835 10.683 -0.712 29 HG2 LYS 3 2HG LYS 3 -7.214 11.111 -3.089 30 HG3 LYS 3 1HG LYS 3 -6.013 11.727 -1.954 31 HD2 LYS 3 2HD LYS 3 -4.530 9.902 -2.378 32 HD3 LYS 3 1HD LYS 3 -5.777 8.991 -3.230 33 HE2 LYS 3 2HE LYS 3 -4.038 10.181 -4.692 34 HE3 LYS 3 1HE LYS 3 -5.730 10.475 -5.093 35 HZ1 LYS 3 3HZ LYS 3 -5.621 12.509 -3.750 36 HZ2 LYS 3 1HZ LYS 3 -4.533 12.543 -5.050 37 HZ3 LYS 3 2HZ LYS 3 -3.967 12.237 -3.478 38 H PHE 4 H PHE 4 -7.701 7.619 0.423 39 HA PHE 4 HA PHE 4 -8.624 8.789 2.884 40 HB2 PHE 4 2HB PHE 4 -9.481 6.417 3.366 41 HB3 PHE 4 1HB PHE 4 -10.165 7.263 2.004 42 HD1 PHE 4 2HD PHE 4 -7.288 4.941 2.788 43 HD2 PHE 4 1HD PHE 4 -10.339 6.103 -0.013 44 HE1 PHE 4 2HE PHE 4 -6.656 3.059 1.291 45 HE2 PHE 4 1HE PHE 4 -9.706 4.215 -1.495 46 HZ PHE 4 HZ PHE 4 -7.865 2.702 -0.838 47 H THR 5 H THR 5 -8.343 7.820 5.043 48 HA THR 5 HA THR 5 -5.474 7.428 5.563 49 HB THR 5 HB THR 5 -6.598 8.944 7.039 50 HG1 THR 5 1HG THR 5 -5.539 8.107 8.621 51 HG21 THR 5 3HG2 THR 5 -8.883 8.238 6.765 52 HG22 THR 5 1HG2 THR 5 -8.486 8.105 8.477 53 HG23 THR 5 2HG2 THR 5 -8.533 6.661 7.468 54 H GLU 6 H GLU 6 -4.755 5.759 7.025 55 HA GLU 6 HA GLU 6 -5.265 3.152 6.164 56 HB2 GLU 6 2HB GLU 6 -4.206 2.395 8.274 57 HB3 GLU 6 1HB GLU 6 -3.315 3.726 7.537 58 HG2 GLU 6 2HG GLU 6 -4.654 5.291 9.050 59 HG3 GLU 6 1HG GLU 6 -5.197 3.846 9.906 60 H GLU 7 H GLU 7 -6.830 4.890 8.868 61 HA GLU 7 HA GLU 7 -8.350 2.817 9.975 62 HB2 GLU 7 2HB GLU 7 -9.365 5.620 9.420 63 HB3 GLU 7 1HB GLU 7 -9.967 4.509 10.650 64 HG2 GLU 7 2HG GLU 7 -7.128 5.568 10.540 65 HG3 GLU 7 1HG GLU 7 -8.396 6.214 11.581 66 H GLU 8 H GLU 8 -8.945 4.642 6.993 67 HA GLU 8 HA GLU 8 -11.525 3.515 6.443 68 HB2 GLU 8 2HB GLU 8 -10.395 5.561 5.375 69 HB3 GLU 8 1HB GLU 8 -9.490 4.405 4.397 70 HG2 GLU 8 2HG GLU 8 -11.408 5.058 3.107 71 HG3 GLU 8 1HG GLU 8 -11.715 3.422 3.689 72 H ASP 9 H ASP 9 -8.236 2.724 5.336 73 HA ASP 9 HA ASP 9 -8.720 0.571 3.643 74 HB2 ASP 9 2HB ASP 9 -6.454 1.380 4.119 75 HB3 ASP 9 1HB ASP 9 -6.552 0.725 5.752 76 H LEU 10 H LEU 10 -9.088 0.669 7.118 77 HA LEU 10 HA LEU 10 -9.327 -2.216 7.443 78 HB2 LEU 10 2HB LEU 10 -10.581 -0.254 9.369 79 HB3 LEU 10 1HB LEU 10 -9.751 -1.772 9.711 80 HG LEU 10 HG LEU 10 -8.476 0.805 8.785 81 HD11 LEU 10 1HD1 LEU 10 -8.239 -0.722 11.379 82 HD12 LEU 10 2HD1 LEU 10 -9.158 0.766 11.151 83 HD13 LEU 10 3HD1 LEU 10 -7.403 0.777 10.980 84 HD21 LEU 10 3HD2 LEU 10 -7.229 -0.987 7.784 85 HD22 LEU 10 1HD2 LEU 10 -7.331 -1.953 9.255 86 HD23 LEU 10 2HD2 LEU 10 -6.331 -0.502 9.218 87 H LYS 11 H LYS 11 -11.585 0.516 7.098 88 HA LYS 11 HA LYS 11 -14.005 -0.929 7.403 89 HB2 LYS 11 2HB LYS 11 -13.330 1.428 5.619 90 HB3 LYS 11 1HB LYS 11 -14.970 0.820 5.842 91 HG2 LYS 11 2HG LYS 11 -14.738 1.166 8.295 92 HG3 LYS 11 1HG LYS 11 -13.136 1.854 8.025 93 HD2 LYS 11 2HD LYS 11 -14.049 3.683 6.754 94 HD3 LYS 11 1HD LYS 11 -15.647 2.936 6.724 95 HE2 LYS 11 2HE LYS 11 -14.212 3.846 9.236 96 HE3 LYS 11 1HE LYS 11 -15.486 4.753 8.421 97 HZ1 LYS 11 3HZ LYS 11 -15.745 2.027 9.570 98 HZ2 LYS 11 1HZ LYS 11 -16.970 2.863 8.748 99 HZ3 LYS 11 2HZ LYS 11 -16.388 3.454 10.230 100 H LEU 12 H LEU 12 -11.666 -0.927 4.822 101 HA LEU 12 HA LEU 12 -13.422 -2.113 2.835 102 HB2 LEU 12 2HB LEU 12 -10.402 -2.240 2.818 103 HB3 LEU 12 1HB LEU 12 -11.508 -2.200 1.445 104 HG LEU 12 HG LEU 12 -10.980 0.054 3.386 105 HD11 LEU 12 1HD1 LEU 12 -10.478 -0.058 0.409 106 HD12 LEU 12 2HD1 LEU 12 -9.248 -0.487 1.596 107 HD13 LEU 12 3HD1 LEU 12 -9.902 1.151 1.557 108 HD21 LEU 12 3HD2 LEU 12 -13.277 0.236 2.793 109 HD22 LEU 12 1HD2 LEU 12 -12.966 -0.254 1.126 110 HD23 LEU 12 2HD2 LEU 12 -12.438 1.330 1.695 111 H GLN 13 H GLN 13 -10.770 -3.425 4.908 112 HA GLN 13 HA GLN 13 -10.921 -6.054 3.936 113 HB2 GLN 13 2HB GLN 13 -9.654 -6.699 5.785 114 HB3 GLN 13 1HB GLN 13 -9.375 -4.959 5.792 115 HG2 GLN 13 2HG GLN 13 -11.389 -4.828 7.400 116 HG3 GLN 13 1HG GLN 13 -11.223 -6.571 7.565 117 HE21 GLN 13 1HE2 GLN 13 -10.722 -4.501 9.662 118 HE22 GLN 13 2HE2 GLN 13 -9.103 -4.700 10.131 119 H GLN 14 H GLN 14 -13.168 -4.402 6.107 120 HA GLN 14 HA GLN 14 -14.601 -6.899 6.751 121 HB2 GLN 14 2HB GLN 14 -15.548 -4.050 7.095 122 HB3 GLN 14 1HB GLN 14 -16.191 -5.491 7.882 123 HG2 GLN 14 2HG GLN 14 -13.856 -5.830 8.871 124 HG3 GLN 14 1HG GLN 14 -13.483 -4.203 8.300 125 HE21 GLN 14 1HE2 GLN 14 -16.396 -3.391 8.818 126 HE22 GLN 14 2HE2 GLN 14 -16.471 -3.162 10.498 127 H LEU 15 H LEU 15 -15.583 -3.926 4.982 128 HA LEU 15 HA LEU 15 -17.956 -5.026 3.883 129 HB2 LEU 15 2HB LEU 15 -16.135 -2.742 3.179 130 HB3 LEU 15 1HB LEU 15 -17.309 -3.233 1.962 131 HG LEU 15 HG LEU 15 -19.135 -2.951 3.596 132 HD11 LEU 15 1HD1 LEU 15 -18.593 -1.820 5.774 133 HD12 LEU 15 2HD1 LEU 15 -16.885 -2.095 5.437 134 HD13 LEU 15 3HD1 LEU 15 -17.969 -3.465 5.662 135 HD21 LEU 15 3HD2 LEU 15 -18.385 -1.035 2.187 136 HD22 LEU 15 1HD2 LEU 15 -17.311 -0.529 3.492 137 HD23 LEU 15 2HD2 LEU 15 -19.058 -0.511 3.730 138 H VAL 16 H VAL 16 -14.690 -4.840 2.494 139 HA VAL 16 HA VAL 16 -15.166 -6.162 0.063 140 HB VAL 16 HB VAL 16 -12.724 -6.398 1.850 141 HG11 VAL 16 1HG1 VAL 16 -11.583 -6.757 -0.385 142 HG12 VAL 16 2HG1 VAL 16 -13.188 -6.964 -1.081 143 HG13 VAL 16 3HG1 VAL 16 -12.614 -8.082 0.154 144 HG21 VAL 16 3HG2 VAL 16 -11.894 -4.429 0.822 145 HG22 VAL 16 1HG2 VAL 16 -13.589 -4.029 1.097 146 HG23 VAL 16 2HG2 VAL 16 -13.056 -4.519 -0.497 147 H MET 17 H MET 17 -14.689 -7.513 3.341 148 HA MET 17 HA MET 17 -14.555 -10.246 2.514 149 HB2 MET 17 2HB MET 17 -14.082 -9.241 4.831 150 HB3 MET 17 1HB MET 17 -15.822 -9.248 5.082 151 HG2 MET 17 2HG MET 17 -14.269 -11.717 4.283 152 HG3 MET 17 1HG MET 17 -14.564 -11.272 5.959 153 HE1 MET 17 3HE MET 17 -15.825 -13.888 3.699 154 HE2 MET 17 1HE MET 17 -16.850 -14.306 5.079 155 HE3 MET 17 2HE MET 17 -15.178 -13.814 5.337 156 H ARG 18 H ARG 18 -17.264 -8.045 3.145 157 HA ARG 18 HA ARG 18 -19.291 -10.119 2.926 158 HB2 ARG 18 2HB ARG 18 -19.601 -7.914 4.110 159 HB3 ARG 18 1HB ARG 18 -19.632 -7.136 2.528 160 HG2 ARG 18 2HG ARG 18 -21.575 -8.444 1.869 161 HG3 ARG 18 1HG ARG 18 -21.504 -9.367 3.370 162 HD2 ARG 18 2HD ARG 18 -21.867 -6.361 3.279 163 HD3 ARG 18 1HD ARG 18 -23.210 -7.501 3.373 164 HE ARG 18 HE ARG 18 -21.289 -8.033 5.455 165 HH11 ARG 18 1HH2 ARG 18 -23.786 -5.892 4.418 166 HH12 ARG 18 2HH2 ARG 18 -24.236 -5.427 6.025 167 HH21 ARG 18 1HH1 ARG 18 -21.864 -7.438 7.557 168 HH22 ARG 18 2HH1 ARG 18 -23.149 -6.303 7.802 169 H TYR 19 H TYR 19 -17.823 -7.801 0.675 170 HA TYR 19 HA TYR 19 -19.564 -8.763 -1.538 171 HB2 TYR 19 2HB TYR 19 -17.370 -6.670 -1.543 172 HB3 TYR 19 1HB TYR 19 -18.541 -6.964 -2.826 173 HD1 TYR 19 1HD TYR 19 -21.065 -6.872 -2.132 174 HD2 TYR 19 2HD TYR 19 -17.886 -5.057 0.117 175 HE1 TYR 19 1HE TYR 19 -22.705 -5.401 -1.000 176 HE2 TYR 19 2HE TYR 19 -19.531 -3.585 1.245 177 HH TYR 19 HH TYR 19 -21.658 -3.009 1.431 178 H GLY 20 H GLY 20 -16.727 -9.711 -0.092 179 HA2 GLY 20 2HA GLY 20 -15.220 -11.396 -0.778 180 HA3 GLY 20 1HA GLY 20 -15.979 -11.385 -2.373 181 H ALA 21 H ALA 21 -15.604 -9.269 -3.597 182 HA ALA 21 HA ALA 21 -13.735 -7.329 -3.350 183 HB1 ALA 21 1HB ALA 21 -12.330 -9.965 -3.737 184 HB2 ALA 21 2HB ALA 21 -11.850 -8.589 -2.744 185 HB3 ALA 21 3HB ALA 21 -11.637 -8.526 -4.487 186 H LYS 22 H LYS 22 -15.936 -7.673 -4.920 187 HA LYS 22 HA LYS 22 -14.809 -7.278 -7.635 188 HB2 LYS 22 2HB LYS 22 -16.338 -8.883 -8.673 189 HB3 LYS 22 1HB LYS 22 -15.288 -9.696 -7.513 190 HG2 LYS 22 2HG LYS 22 -17.139 -9.419 -5.800 191 HG3 LYS 22 1HG LYS 22 -18.179 -8.883 -7.120 192 HD2 LYS 22 2HD LYS 22 -17.684 -11.030 -8.312 193 HD3 LYS 22 1HD LYS 22 -16.792 -11.568 -6.889 194 HE2 LYS 22 2HE LYS 22 -18.822 -11.327 -5.514 195 HE3 LYS 22 1HE LYS 22 -19.718 -10.770 -6.927 196 HZ1 LYS 22 3HZ LYS 22 -19.266 -13.395 -6.111 197 HZ2 LYS 22 1HZ LYS 22 -18.411 -13.173 -7.559 198 HZ3 LYS 22 2HZ LYS 22 -20.080 -12.860 -7.502 199 H ASP 23 H ASP 23 -17.081 -6.421 -5.272 200 HA ASP 23 HA ASP 23 -18.856 -5.070 -7.281 201 HB2 ASP 23 2HB ASP 23 -19.431 -5.386 -4.326 202 HB3 ASP 23 1HB ASP 23 -20.563 -5.041 -5.634 203 H TRP 24 H TRP 24 -16.382 -3.944 -6.940 204 HA TRP 24 HA TRP 24 -16.212 -2.028 -4.823 205 HB2 TRP 24 2HB TRP 24 -14.979 -1.944 -7.589 206 HB3 TRP 24 1HB TRP 24 -14.483 -0.951 -6.212 207 HD1 TRP 24 HD TRP 24 -14.265 -4.476 -7.602 208 HE1 TRP 24 1HE TRP 24 -12.705 -5.869 -6.090 209 HE3 TRP 24 3HE TRP 24 -13.654 -1.202 -3.773 210 HZ2 TRP 24 2HZ TRP 24 -11.363 -5.599 -3.561 211 HZ3 TRP 24 3HZ TRP 24 -12.233 -1.764 -1.832 212 HH2 TRP 24 HH TRP 24 -11.098 -3.960 -1.710 213 H ILE 25 H ILE 25 -18.232 -2.165 -7.545 214 HA ILE 25 HA ILE 25 -18.536 0.693 -7.941 215 HB ILE 25 HB ILE 25 -20.742 -0.089 -9.064 216 HG12 ILE 25 2HG1 ILE 25 -19.409 -2.798 -8.756 217 HG13 ILE 25 1HG1 ILE 25 -20.777 -2.276 -7.776 218 HG21 ILE 25 1HG2 ILE 25 -18.671 0.423 -10.311 219 HG22 ILE 25 2HG2 ILE 25 -19.527 -0.940 -11.031 220 HG23 ILE 25 3HG2 ILE 25 -18.100 -1.222 -10.034 221 HD11 ILE 25 3HD1 ILE 25 -22.087 -1.894 -9.858 222 HD12 ILE 25 1HD1 ILE 25 -21.591 -3.577 -9.673 223 HD13 ILE 25 2HD1 ILE 25 -20.731 -2.523 -10.794 224 H ARG 26 H ARG 26 -20.124 -1.815 -6.013 225 HA ARG 26 HA ARG 26 -22.132 0.006 -4.970 226 HB2 ARG 26 2HB ARG 26 -22.435 -2.495 -5.170 227 HB3 ARG 26 1HB ARG 26 -21.274 -2.675 -3.853 228 HG2 ARG 26 2HG ARG 26 -22.699 -1.398 -2.353 229 HG3 ARG 26 1HG ARG 26 -23.822 -1.042 -3.667 230 HD2 ARG 26 2HD ARG 26 -24.418 -3.375 -3.876 231 HD3 ARG 26 1HD ARG 26 -23.162 -3.846 -2.733 232 HE ARG 26 HE ARG 26 -24.766 -2.073 -1.310 233 HH11 ARG 26 1HH2 ARG 26 -25.183 -4.983 -3.112 234 HH12 ARG 26 2HH2 ARG 26 -26.522 -5.536 -2.163 235 HH21 ARG 26 1HH1 ARG 26 -26.512 -2.779 -0.061 236 HH22 ARG 26 2HH1 ARG 26 -27.275 -4.288 -0.436 237 H ILE 27 H ILE 27 -19.213 -1.583 -3.656 238 HA ILE 27 HA ILE 27 -19.250 -0.386 -1.122 239 HB ILE 27 HB ILE 27 -16.800 -0.928 -2.817 240 HG12 ILE 27 2HG1 ILE 27 -18.173 -2.715 -0.793 241 HG13 ILE 27 1HG1 ILE 27 -18.405 -2.862 -2.533 242 HG21 ILE 27 1HG2 ILE 27 -15.752 -1.238 -0.534 243 HG22 ILE 27 2HG2 ILE 27 -17.234 -0.584 0.161 244 HG23 ILE 27 3HG2 ILE 27 -16.238 0.418 -0.893 245 HD11 ILE 27 3HD1 ILE 27 -15.827 -3.222 -0.988 246 HD12 ILE 27 1HD1 ILE 27 -15.890 -3.107 -2.746 247 HD13 ILE 27 2HD1 ILE 27 -16.695 -4.439 -1.921 248 H SER 28 H SER 28 -18.301 0.925 -4.234 249 HA SER 28 HA SER 28 -17.091 3.327 -3.141 250 HB2 SER 28 2HB SER 28 -18.108 2.614 -5.900 251 HB3 SER 28 1HB SER 28 -17.343 4.155 -5.520 252 HG SER 28 HG SER 28 -15.479 3.189 -5.488 253 H GLN 29 H GLN 29 -20.366 2.356 -4.060 254 HA GLN 29 HA GLN 29 -21.506 4.990 -4.174 255 HB2 GLN 29 2HB GLN 29 -22.720 2.326 -3.372 256 HB3 GLN 29 1HB GLN 29 -23.663 3.813 -3.433 257 HG2 GLN 29 2HG GLN 29 -22.825 4.064 -5.849 258 HG3 GLN 29 1HG GLN 29 -22.275 2.401 -5.710 259 HE21 GLN 29 1HE2 GLN 29 -23.813 1.352 -7.053 260 HE22 GLN 29 2HE2 GLN 29 -25.484 1.383 -6.758 261 H LEU 30 H LEU 30 -20.878 2.793 -1.465 262 HA LEU 30 HA LEU 30 -22.122 4.448 0.537 263 HB2 LEU 30 2HB LEU 30 -19.764 2.627 1.078 264 HB3 LEU 30 1HB LEU 30 -21.135 2.995 2.127 265 HG LEU 30 HG LEU 30 -21.195 1.358 -0.425 266 HD11 LEU 30 1HD1 LEU 30 -21.850 0.582 2.428 267 HD12 LEU 30 2HD1 LEU 30 -20.284 0.294 1.670 268 HD13 LEU 30 3HD1 LEU 30 -21.729 -0.489 1.032 269 HD21 LEU 30 3HD2 LEU 30 -23.407 2.353 1.393 270 HD22 LEU 30 1HD2 LEU 30 -23.620 0.980 0.307 271 HD23 LEU 30 2HD2 LEU 30 -23.260 2.575 -0.350 272 H MET 31 H MET 31 -18.841 4.204 -0.749 273 HA MET 31 HA MET 31 -18.136 6.793 0.620 274 HB2 MET 31 2HB MET 31 -16.308 4.477 -0.089 275 HB3 MET 31 1HB MET 31 -15.813 5.988 0.675 276 HG2 MET 31 2HG MET 31 -17.083 5.507 2.651 277 HG3 MET 31 1HG MET 31 -17.901 4.152 1.875 278 HE1 MET 31 3HE MET 31 -15.612 1.259 1.941 279 HE2 MET 31 1HE MET 31 -16.349 2.220 0.652 280 HE3 MET 31 2HE MET 31 -17.261 1.854 2.114 281 H ILE 32 H ILE 32 -19.329 7.205 -1.707 282 HA ILE 32 HA ILE 32 -17.936 6.901 -4.133 283 HB ILE 32 HB ILE 32 -19.073 9.071 -4.799 284 HG12 ILE 32 2HG1 ILE 32 -20.094 8.915 -1.944 285 HG13 ILE 32 1HG1 ILE 32 -18.938 10.109 -2.536 286 HG21 ILE 32 1HG2 ILE 32 -20.858 7.110 -3.333 287 HG22 ILE 32 2HG2 ILE 32 -20.166 6.804 -4.925 288 HG23 ILE 32 3HG2 ILE 32 -21.305 8.131 -4.698 289 HD11 ILE 32 3HD1 ILE 32 -21.801 9.739 -3.448 290 HD12 ILE 32 1HD1 ILE 32 -20.646 10.807 -4.247 291 HD13 ILE 32 2HD1 ILE 32 -21.132 11.121 -2.580 292 H THR 33 H THR 33 -17.017 8.646 -1.366 293 HA THR 33 HA THR 33 -15.590 10.845 -2.363 294 HB THR 33 HB THR 33 -14.252 10.726 -0.349 295 HG1 THR 33 1HG THR 33 -13.764 8.884 0.528 296 HG21 THR 33 3HG2 THR 33 -15.993 10.592 1.316 297 HG22 THR 33 1HG2 THR 33 -16.970 9.550 0.281 298 HG23 THR 33 2HG2 THR 33 -16.714 11.239 -0.158 299 H ARG 34 H ARG 34 -15.098 7.593 -3.151 300 HA ARG 34 HA ARG 34 -12.481 8.271 -4.406 301 HB2 ARG 34 2HB ARG 34 -12.771 6.572 -2.080 302 HB3 ARG 34 1HB ARG 34 -12.297 5.550 -3.429 303 HG2 ARG 34 2HG ARG 34 -10.283 6.334 -2.356 304 HG3 ARG 34 1HG ARG 34 -10.418 7.149 -3.905 305 HD2 ARG 34 2HD ARG 34 -11.657 8.569 -1.580 306 HD3 ARG 34 1HD ARG 34 -9.900 8.488 -1.603 307 HE ARG 34 HE ARG 34 -11.518 10.117 -3.344 308 HH11 ARG 34 1HH2 ARG 34 -8.698 8.141 -3.166 309 HH12 ARG 34 2HH2 ARG 34 -7.857 8.999 -4.415 310 HH21 ARG 34 1HH1 ARG 34 -10.437 11.248 -4.974 311 HH22 ARG 34 2HH1 ARG 34 -8.842 10.757 -5.438 312 H ASN 35 H ASN 35 -11.922 6.652 -6.117 313 HA ASN 35 HA ASN 35 -14.391 5.809 -7.491 314 HB2 ASN 35 2HB ASN 35 -11.570 5.640 -8.549 315 HB3 ASN 35 1HB ASN 35 -13.069 5.674 -9.475 316 HD21 ASN 35 1HD2 ASN 35 -14.167 7.812 -7.575 317 HD22 ASN 35 2HD2 ASN 35 -13.407 9.245 -8.073 318 HA PRO 36 HA PRO 36 -14.240 1.459 -6.561 319 HB2 PRO 36 2HB PRO 36 -14.065 1.099 -9.557 320 HB3 PRO 36 1HB PRO 36 -15.090 0.247 -8.385 321 HG2 PRO 36 2HG PRO 36 -16.089 2.188 -9.907 322 HG3 PRO 36 1HG PRO 36 -16.590 2.001 -8.216 323 HD2 PRO 36 2HD PRO 36 -14.832 4.093 -9.423 324 HD3 PRO 36 1HD PRO 36 -15.859 4.170 -7.972 325 H ARG 37 H ARG 37 -12.060 2.655 -9.090 326 HA ARG 37 HA ARG 37 -10.137 0.521 -8.869 327 HB2 ARG 37 2HB ARG 37 -9.750 3.333 -9.923 328 HB3 ARG 37 1HB ARG 37 -8.709 1.946 -10.245 329 HG2 ARG 37 2HG ARG 37 -10.626 0.780 -11.311 330 HG3 ARG 37 1HG ARG 37 -11.626 2.208 -11.037 331 HD2 ARG 37 2HD ARG 37 -9.945 3.540 -12.362 332 HD3 ARG 37 1HD ARG 37 -9.144 2.022 -12.765 333 HE ARG 37 HE ARG 37 -11.805 1.625 -13.485 334 HH11 ARG 37 1HH2 ARG 37 -9.294 3.887 -14.165 335 HH12 ARG 37 2HH2 ARG 37 -9.851 4.226 -15.770 336 HH21 ARG 37 1HH1 ARG 37 -12.550 2.056 -15.575 337 HH22 ARG 37 2HH1 ARG 37 -11.695 3.190 -16.567 338 H GLN 38 H GLN 38 -10.612 3.543 -7.162 339 HA GLN 38 HA GLN 38 -7.949 3.749 -6.089 340 HB2 GLN 38 2HB GLN 38 -10.599 4.863 -5.152 341 HB3 GLN 38 1HB GLN 38 -9.060 5.259 -4.390 342 HG2 GLN 38 2HG GLN 38 -9.525 5.620 -7.361 343 HG3 GLN 38 1HG GLN 38 -9.882 6.891 -6.195 344 HE21 GLN 38 1HE2 GLN 38 -8.007 7.777 -7.812 345 HE22 GLN 38 2HE2 GLN 38 -6.435 7.614 -7.192 346 H CYS 39 H CYS 39 -10.928 2.212 -4.793 347 HA CYS 39 HA CYS 39 -9.449 1.428 -2.359 348 HB2 CYS 39 2HB CYS 39 -12.170 0.530 -3.299 349 HB3 CYS 39 1HB CYS 39 -11.522 0.450 -1.663 350 HG CYS 39 HG CYS 39 -11.610 3.068 -1.556 351 H ARG 40 H ARG 40 -10.337 0.060 -5.460 352 HA ARG 40 HA ARG 40 -9.999 -2.706 -4.827 353 HB2 ARG 40 2HB ARG 40 -10.974 -2.080 -6.952 354 HB3 ARG 40 1HB ARG 40 -9.538 -1.167 -7.392 355 HG2 ARG 40 2HG ARG 40 -9.669 -3.393 -8.529 356 HG3 ARG 40 1HG ARG 40 -8.214 -3.210 -7.561 357 HD2 ARG 40 2HD ARG 40 -9.067 -4.606 -5.838 358 HD3 ARG 40 1HD ARG 40 -10.711 -4.501 -6.455 359 HE ARG 40 HE ARG 40 -8.677 -6.350 -7.367 360 HH11 ARG 40 1HH2 ARG 40 -11.400 -4.432 -8.264 361 HH12 ARG 40 2HH2 ARG 40 -11.850 -5.452 -9.588 362 HH21 ARG 40 1HH1 ARG 40 -9.251 -7.693 -9.092 363 HH22 ARG 40 2HH1 ARG 40 -10.635 -7.299 -10.057 364 H GLU 41 H GLU 41 -7.657 -0.367 -6.176 365 HA GLU 41 HA GLU 41 -5.445 -2.122 -6.212 366 HB2 GLU 41 2HB GLU 41 -4.022 -0.062 -6.065 367 HB3 GLU 41 1HB GLU 41 -5.274 0.030 -7.299 368 HG2 GLU 41 2HG GLU 41 -5.378 2.122 -6.186 369 HG3 GLU 41 1HG GLU 41 -6.718 1.199 -5.518 370 H ARG 42 H ARG 42 -7.012 -0.560 -3.525 371 HA ARG 42 HA ARG 42 -4.816 -0.770 -1.677 372 HB2 ARG 42 2HB ARG 42 -6.969 0.602 -1.430 373 HB3 ARG 42 1HB ARG 42 -7.749 -0.899 -0.950 374 HG2 ARG 42 2HG ARG 42 -7.061 0.239 1.062 375 HG3 ARG 42 1HG ARG 42 -6.015 -1.155 0.847 376 HD2 ARG 42 2HD ARG 42 -4.151 0.168 0.312 377 HD3 ARG 42 1HD ARG 42 -5.141 1.504 -0.273 378 HE ARG 42 HE ARG 42 -5.721 1.329 2.444 379 HH11 ARG 42 1HH2 ARG 42 -2.932 1.674 0.446 380 HH12 ARG 42 2HH2 ARG 42 -2.048 2.600 1.612 381 HH21 ARG 42 1HH1 ARG 42 -4.581 2.536 3.978 382 HH22 ARG 42 2HH1 ARG 42 -2.981 3.088 3.612 383 H TRP 43 H TRP 43 -7.715 -2.851 -2.048 384 HA TRP 43 HA TRP 43 -7.079 -4.829 -0.203 385 HB2 TRP 43 2HB TRP 43 -9.034 -5.651 -1.040 386 HB3 TRP 43 1HB TRP 43 -8.934 -4.463 -2.322 387 HD1 TRP 43 HD TRP 43 -7.301 -5.365 -4.492 388 HE1 TRP 43 1HE TRP 43 -7.461 -7.653 -5.650 389 HE3 TRP 43 3HE TRP 43 -9.627 -8.029 -0.821 390 HZ2 TRP 43 2HZ TRP 43 -8.454 -10.276 -5.095 391 HZ3 TRP 43 3HZ TRP 43 -10.174 -10.421 -1.162 392 HH2 TRP 43 HH TRP 43 -9.591 -11.547 -3.293 393 H ASN 44 H ASN 44 -5.886 -4.733 -3.588 394 HA ASN 44 HA ASN 44 -4.369 -7.176 -3.250 395 HB2 ASN 44 2HB ASN 44 -4.033 -4.879 -5.210 396 HB3 ASN 44 1HB ASN 44 -3.163 -6.410 -5.311 397 HD21 ASN 44 1HD2 ASN 44 -5.813 -4.862 -6.582 398 HD22 ASN 44 2HD2 ASN 44 -6.780 -6.207 -6.949 399 H ASN 45 H ASN 45 -3.743 -3.803 -2.530 400 HA ASN 45 HA ASN 45 -0.882 -4.403 -1.866 401 HB2 ASN 45 2HB ASN 45 -2.384 -1.768 -2.016 402 HB3 ASN 45 1HB ASN 45 -0.658 -1.951 -1.707 403 HD21 ASN 45 1HD2 ASN 45 -2.634 -1.078 -4.147 404 HD22 ASN 45 2HD2 ASN 45 -1.785 -1.703 -5.478 405 H TYR 46 H TYR 46 -3.518 -5.014 -0.238 406 HA TYR 46 HA TYR 46 -2.302 -4.195 2.337 407 HB2 TYR 46 2HB TYR 46 -4.238 -2.584 1.293 408 HB3 TYR 46 1HB TYR 46 -5.244 -3.695 2.211 409 HD1 TYR 46 1HD TYR 46 -4.027 -4.322 4.611 410 HD2 TYR 46 2HD TYR 46 -3.637 -0.625 2.465 411 HE1 TYR 46 1HE TYR 46 -3.426 -3.166 6.718 412 HE2 TYR 46 2HE TYR 46 -3.038 0.533 4.571 413 HH TYR 46 HH TYR 46 -3.012 0.344 6.830 414 H ILE 47 H ILE 47 -5.303 -5.775 1.054 415 HA ILE 47 HA ILE 47 -4.478 -8.207 2.526 416 HB ILE 47 HB ILE 47 -6.271 -8.396 3.987 417 HG12 ILE 47 2HG1 ILE 47 -8.136 -8.133 2.375 418 HG13 ILE 47 1HG1 ILE 47 -8.414 -7.225 3.840 419 HG21 ILE 47 1HG2 ILE 47 -5.944 -5.398 3.705 420 HG22 ILE 47 2HG2 ILE 47 -4.950 -6.478 4.683 421 HG23 ILE 47 3HG2 ILE 47 -6.643 -6.225 5.095 422 HD11 ILE 47 3HD1 ILE 47 -8.359 -6.240 1.156 423 HD12 ILE 47 1HD1 ILE 47 -7.058 -5.457 2.051 424 HD13 ILE 47 2HD1 ILE 47 -8.711 -5.365 2.639 425 H ASN 48 H ASN 48 -4.580 -9.777 1.151 426 HA ASN 48 HA ASN 48 -6.921 -10.577 -0.235 427 HB2 ASN 48 2HB ASN 48 -6.805 -9.454 -2.205 428 HB3 ASN 48 1HB ASN 48 -5.429 -8.561 -1.601 429 HD21 ASN 48 1HD2 ASN 48 -3.535 -8.812 -2.799 430 HD22 ASN 48 2HD2 ASN 48 -3.218 -10.101 -3.858 431 HA PRO 49 HA PRO 49 -3.415 -13.610 -1.016 432 HB2 PRO 49 2HB PRO 49 -0.834 -12.780 -1.212 433 HB3 PRO 49 1HB PRO 49 -2.019 -12.471 -2.498 434 HG2 PRO 49 2HG PRO 49 -0.776 -10.558 -0.656 435 HG3 PRO 49 1HG PRO 49 -1.675 -10.245 -2.145 436 HD2 PRO 49 2HD PRO 49 -2.666 -10.198 0.650 437 HD3 PRO 49 1HD PRO 49 -3.422 -9.535 -0.807 438 H ALA 50 H ALA 50 -3.136 -11.591 1.714 439 HA ALA 50 HA ALA 50 -2.561 -12.089 3.932 440 HB1 ALA 50 1HB ALA 50 -1.628 -14.865 3.205 441 HB2 ALA 50 2HB ALA 50 -3.347 -14.495 3.087 442 HB3 ALA 50 3HB ALA 50 -2.514 -14.318 4.629 443 H LEU 51 H LEU 51 -0.851 -10.610 2.712 444 HA LEU 51 HA LEU 51 1.847 -11.828 2.635 445 HB2 LEU 51 2HB LEU 51 2.392 -9.280 2.050 446 HB3 LEU 51 1HB LEU 51 1.679 -10.344 0.844 447 HG LEU 51 HG LEU 51 -0.564 -9.491 1.394 448 HD11 LEU 51 1HD1 LEU 51 0.958 -7.856 3.426 449 HD12 LEU 51 2HD1 LEU 51 -0.396 -8.950 3.711 450 HD13 LEU 51 3HD1 LEU 51 -0.661 -7.419 2.878 451 HD21 LEU 51 3HD2 LEU 51 1.141 -7.053 1.020 452 HD22 LEU 51 1HD2 LEU 51 -0.369 -7.482 0.226 453 HD23 LEU 51 2HD2 LEU 51 1.125 -8.298 -0.225 454 H ARG 52 H ARG 52 0.370 -11.566 5.190 455 HA ARG 52 HA ARG 52 1.304 -9.407 6.770 456 HB2 ARG 52 2HB ARG 52 0.720 -12.290 7.502 457 HB3 ARG 52 1HB ARG 52 1.080 -11.041 8.695 458 HG2 ARG 52 2HG ARG 52 -0.836 -9.723 7.945 459 HG3 ARG 52 1HG ARG 52 -1.171 -10.892 6.667 460 HD2 ARG 52 2HD ARG 52 -2.631 -11.228 8.657 461 HD3 ARG 52 1HD ARG 52 -1.614 -12.631 8.329 462 HE ARG 52 HE ARG 52 -0.137 -11.113 10.131 463 HH11 ARG 52 1HH2 ARG 52 -3.296 -12.488 9.967 464 HH12 ARG 52 2HH2 ARG 52 -3.420 -12.737 11.677 465 HH21 ARG 52 1HH1 ARG 52 -0.283 -11.430 12.364 466 HH22 ARG 52 2HH1 ARG 52 -1.715 -12.138 13.034 467 H THR 53 H THR 53 3.103 -11.724 5.146 468 HA THR 53 HA THR 53 5.560 -10.934 6.577 469 HB THR 53 HB THR 53 4.889 -13.872 6.254 470 HG1 THR 53 1HG THR 53 4.953 -13.416 8.740 471 HG21 THR 53 3HG2 THR 53 7.066 -12.368 7.731 472 HG22 THR 53 1HG2 THR 53 7.273 -13.368 6.293 473 HG23 THR 53 2HG2 THR 53 6.813 -14.111 7.825 474 H ASP 54 H ASP 54 5.382 -9.981 4.254 475 HA ASP 54 HA ASP 54 6.794 -11.830 2.351 476 HB2 ASP 54 2HB ASP 54 4.386 -11.465 1.712 477 HB3 ASP 54 1HB ASP 54 4.741 -9.742 1.578 478 HA PRO 55 HA PRO 55 8.925 -7.697 3.092 479 HB2 PRO 55 2HB PRO 55 11.300 -8.630 4.046 480 HB3 PRO 55 1HB PRO 55 9.883 -8.411 5.098 481 HG2 PRO 55 2HG PRO 55 10.869 -10.911 3.774 482 HG3 PRO 55 1HG PRO 55 10.386 -10.658 5.464 483 HD2 PRO 55 2HD PRO 55 8.690 -11.763 3.662 484 HD3 PRO 55 1HD PRO 55 8.093 -10.694 4.953 485 H TRP 56 H TRP 56 10.078 -6.794 1.439 486 HA TRP 56 HA TRP 56 10.909 -8.478 -0.794 487 HB2 TRP 56 2HB TRP 56 11.860 -6.090 -1.569 488 HB3 TRP 56 1HB TRP 56 10.155 -6.486 -1.683 489 HD1 TRP 56 HD TRP 56 8.498 -5.337 -0.014 490 HE1 TRP 56 1HE TRP 56 8.669 -3.239 1.470 491 HE3 TRP 56 3HE TRP 56 13.552 -4.727 -0.062 492 HZ2 TRP 56 2HZ TRP 56 10.747 -1.490 2.460 493 HZ3 TRP 56 3HZ TRP 56 14.604 -2.840 1.135 494 HH2 TRP 56 HH TRP 56 13.215 -1.227 2.399 495 H SER 57 H SER 57 13.180 -7.732 -1.789 496 HA SER 57 HA SER 57 15.237 -8.173 0.361 497 HB2 SER 57 2HB SER 57 14.573 -9.813 -1.796 498 HB3 SER 57 1HB SER 57 16.006 -8.973 -2.374 499 HG SER 57 HG SER 57 16.496 -9.594 0.116 500 HA PRO 58 HA PRO 58 17.768 -4.739 -0.777 501 HB2 PRO 58 2HB PRO 58 19.569 -6.509 -2.426 502 HB3 PRO 58 1HB PRO 58 20.008 -5.272 -1.224 503 HG2 PRO 58 2HG PRO 58 20.099 -7.814 -0.551 504 HG3 PRO 58 1HG PRO 58 19.399 -6.632 0.576 505 HD2 PRO 58 2HD PRO 58 17.989 -8.619 -1.182 506 HD3 PRO 58 1HD PRO 58 17.576 -8.091 0.465 507 H GLU 59 H GLU 59 16.537 -6.726 -3.311 508 HA GLU 59 HA GLU 59 17.230 -5.208 -5.605 509 HB2 GLU 59 2HB GLU 59 14.630 -6.696 -5.110 510 HB3 GLU 59 1HB GLU 59 15.317 -6.276 -6.679 511 HG2 GLU 59 2HG GLU 59 17.303 -7.678 -6.162 512 HG3 GLU 59 1HG GLU 59 16.555 -8.142 -4.633 513 H GLU 60 H GLU 60 14.407 -4.994 -3.416 514 HA GLU 60 HA GLU 60 13.380 -2.621 -4.752 515 HB2 GLU 60 2HB GLU 60 12.780 -4.004 -2.141 516 HB3 GLU 60 1HB GLU 60 12.015 -2.477 -2.546 517 HG2 GLU 60 2HG GLU 60 11.949 -4.894 -4.370 518 HG3 GLU 60 1HG GLU 60 10.691 -4.552 -3.182 519 H ASP 61 H ASP 61 15.438 -3.262 -1.920 520 HA ASP 61 HA ASP 61 15.549 -0.653 -0.854 521 HB2 ASP 61 2HB ASP 61 16.702 -2.777 0.023 522 HB3 ASP 61 1HB ASP 61 17.988 -2.430 -1.133 523 H MET 62 H MET 62 17.482 -2.061 -3.503 524 HA MET 62 HA MET 62 18.781 0.491 -4.065 525 HB2 MET 62 2HB MET 62 18.785 -2.164 -5.518 526 HB3 MET 62 1HB MET 62 19.735 -0.765 -6.019 527 HG2 MET 62 2HG MET 62 20.927 -0.757 -3.894 528 HG3 MET 62 1HG MET 62 19.910 -2.061 -3.284 529 HE1 MET 62 3HE MET 62 23.109 -2.155 -6.523 530 HE2 MET 62 1HE MET 62 23.400 -1.414 -4.943 531 HE3 MET 62 2HE MET 62 22.110 -0.809 -5.979 532 H LEU 63 H LEU 63 16.292 -1.539 -5.640 533 HA LEU 63 HA LEU 63 15.937 0.357 -7.825 534 HB2 LEU 63 2HB LEU 63 14.115 -1.863 -6.858 535 HB3 LEU 63 1HB LEU 63 13.950 -1.010 -8.387 536 HG LEU 63 HG LEU 63 16.518 -2.445 -7.657 537 HD11 LEU 63 1HD1 LEU 63 14.137 -3.608 -9.135 538 HD12 LEU 63 2HD1 LEU 63 14.664 -4.079 -7.519 539 HD13 LEU 63 3HD1 LEU 63 15.699 -4.396 -8.912 540 HD21 LEU 63 3HD2 LEU 63 16.636 -2.597 -10.199 541 HD22 LEU 63 1HD2 LEU 63 16.759 -0.967 -9.548 542 HD23 LEU 63 2HD2 LEU 63 15.243 -1.522 -10.255 543 H LEU 64 H LEU 64 13.921 -0.448 -4.970 544 HA LEU 64 HA LEU 64 11.912 1.489 -5.393 545 HB2 LEU 64 2HB LEU 64 12.184 -0.367 -3.550 546 HB3 LEU 64 1HB LEU 64 12.932 0.914 -2.604 547 HG LEU 64 HG LEU 64 10.146 0.917 -3.800 548 HD11 LEU 64 1HD1 LEU 64 9.541 1.048 -1.317 549 HD12 LEU 64 2HD1 LEU 64 11.223 0.639 -0.983 550 HD13 LEU 64 3HD1 LEU 64 10.200 -0.492 -1.870 551 HD21 LEU 64 3HD2 LEU 64 10.738 3.190 -3.849 552 HD22 LEU 64 1HD2 LEU 64 11.758 3.065 -2.415 553 HD23 LEU 64 2HD2 LEU 64 10.000 3.040 -2.261 554 H ASP 65 H ASP 65 15.077 1.848 -3.756 555 HA ASP 65 HA ASP 65 14.839 4.472 -2.808 556 HB2 ASP 65 2HB ASP 65 16.861 3.136 -2.445 557 HB3 ASP 65 1HB ASP 65 17.243 3.209 -4.166 558 H GLN 66 H GLN 66 15.179 3.358 -6.116 559 HA GLN 66 HA GLN 66 15.666 6.023 -7.213 560 HB2 GLN 66 2HB GLN 66 16.398 3.872 -8.318 561 HB3 GLN 66 1HB GLN 66 14.700 3.546 -8.668 562 HG2 GLN 66 2HG GLN 66 14.541 5.654 -9.929 563 HG3 GLN 66 1HG GLN 66 16.233 6.003 -9.568 564 HE21 GLN 66 1HE2 GLN 66 16.207 5.964 -12.120 565 HE22 GLN 66 2HE2 GLN 66 16.531 4.462 -12.842 566 H LYS 67 H LYS 67 12.860 3.897 -6.754 567 HA LYS 67 HA LYS 67 11.038 5.663 -8.194 568 HB2 LYS 67 2HB LYS 67 10.221 3.601 -6.132 569 HB3 LYS 67 1HB LYS 67 9.332 4.138 -7.558 570 HG2 LYS 67 2HG LYS 67 11.886 2.503 -7.540 571 HG3 LYS 67 1HG LYS 67 10.278 1.933 -7.985 572 HD2 LYS 67 2HD LYS 67 10.294 3.758 -9.792 573 HD3 LYS 67 1HD LYS 67 12.018 3.927 -9.454 574 HE2 LYS 67 2HE LYS 67 10.621 1.380 -10.324 575 HE3 LYS 67 1HE LYS 67 11.679 2.377 -11.324 576 HZ1 LYS 67 3HZ LYS 67 12.390 0.776 -8.941 577 HZ2 LYS 67 1HZ LYS 67 13.404 1.998 -9.535 578 HZ3 LYS 67 2HZ LYS 67 13.022 0.662 -10.513 579 H TYR 68 H TYR 68 11.455 4.873 -4.728 580 HA TYR 68 HA TYR 68 9.681 6.774 -3.654 581 HB2 TYR 68 2HB TYR 68 10.541 5.327 -2.029 582 HB3 TYR 68 1HB TYR 68 12.167 5.392 -2.691 583 HD1 TYR 68 2HD TYR 68 13.579 7.451 -2.321 584 HD2 TYR 68 1HD TYR 68 9.868 6.804 -0.257 585 HE1 TYR 68 2HE TYR 68 14.225 9.145 -0.632 586 HE2 TYR 68 1HE TYR 68 10.517 8.498 1.433 587 HH TYR 68 HH TYR 68 12.095 9.886 2.133 588 H ALA 69 H ALA 69 12.991 7.153 -4.823 589 HA ALA 69 HA ALA 69 13.535 9.763 -3.905 590 HB1 ALA 69 1HB ALA 69 14.965 9.925 -5.995 591 HB2 ALA 69 2HB ALA 69 14.301 8.367 -6.486 592 HB3 ALA 69 3HB ALA 69 15.263 8.490 -5.014 593 H GLU 70 H GLU 70 11.546 8.635 -6.580 594 HA GLU 70 HA GLU 70 10.978 11.404 -7.477 595 HB2 GLU 70 2HB GLU 70 10.218 8.658 -8.507 596 HB3 GLU 70 1HB GLU 70 9.573 10.148 -9.197 597 HG2 GLU 70 2HG GLU 70 12.542 9.619 -8.908 598 HG3 GLU 70 1HG GLU 70 11.632 9.218 -10.365 599 H TYR 71 H TYR 71 9.132 8.531 -6.374 600 HA TYR 71 HA TYR 71 6.722 10.157 -5.993 601 HB2 TYR 71 2HB TYR 71 7.138 7.290 -5.149 602 HB3 TYR 71 1HB TYR 71 5.619 8.110 -5.507 603 HD1 TYR 71 1HD TYR 71 5.291 9.060 -7.880 604 HD2 TYR 71 2HD TYR 71 8.295 6.156 -6.887 605 HE1 TYR 71 1HE TYR 71 5.478 8.436 -10.273 606 HE2 TYR 71 2HE TYR 71 8.483 5.532 -9.281 607 HH TYR 71 HH TYR 71 6.671 7.282 -11.781 608 H GLY 72 H GLY 72 9.069 8.523 -3.865 609 HA2 GLY 72 2HA GLY 72 9.633 9.280 -1.653 610 HA3 GLY 72 1HA GLY 72 8.214 10.329 -1.670 611 HA PRO 73 HA PRO 73 7.253 6.647 1.008 612 HB2 PRO 73 2HB PRO 73 5.564 8.692 2.385 613 HB3 PRO 73 1HB PRO 73 6.719 7.535 3.080 614 HG2 PRO 73 2HG PRO 73 7.299 10.144 2.906 615 HG3 PRO 73 1HG PRO 73 8.542 8.903 2.662 616 HD2 PRO 73 2HD PRO 73 7.088 10.542 0.593 617 HD3 PRO 73 1HD PRO 73 8.797 10.051 0.638 618 H LYS 74 H LYS 74 5.842 7.749 -1.542 619 HA LYS 74 HA LYS 74 2.996 7.377 -0.898 620 HB2 LYS 74 2HB LYS 74 4.513 7.710 -3.488 621 HB3 LYS 74 1HB LYS 74 2.765 7.501 -3.413 622 HG2 LYS 74 2HG LYS 74 2.569 9.509 -2.010 623 HG3 LYS 74 1HG LYS 74 4.321 9.711 -2.037 624 HD2 LYS 74 2HD LYS 74 4.257 9.968 -4.492 625 HD3 LYS 74 1HD LYS 74 2.504 9.775 -4.463 626 HE2 LYS 74 2HE LYS 74 2.405 11.760 -2.898 627 HE3 LYS 74 1HE LYS 74 4.123 12.009 -3.213 628 HZ1 LYS 74 3HZ LYS 74 3.710 12.398 -5.478 629 HZ2 LYS 74 1HZ LYS 74 2.536 13.299 -4.650 630 HZ3 LYS 74 2HZ LYS 74 2.112 11.825 -5.381 631 H TRP 75 H TRP 75 3.861 5.162 0.070 632 HA TRP 75 HA TRP 75 4.636 3.010 -1.510 633 HB2 TRP 75 2HB TRP 75 2.587 2.636 0.660 634 HB3 TRP 75 1HB TRP 75 3.976 1.623 0.269 635 HD1 TRP 75 HD TRP 75 2.916 3.885 2.810 636 HE1 TRP 75 1HE TRP 75 4.897 4.937 4.075 637 HE3 TRP 75 3HE TRP 75 6.720 2.886 -0.464 638 HZ2 TRP 75 2HZ TRP 75 7.700 5.324 3.748 639 HZ3 TRP 75 3HZ TRP 75 9.027 3.615 0.041 640 HH2 TRP 75 HH TRP 75 9.525 4.835 2.140 641 H ASN 76 H ASN 76 1.797 4.781 -1.778 642 HA ASN 76 HA ASN 76 -0.032 2.719 -2.622 643 HB2 ASN 76 2HB ASN 76 -0.841 4.937 -1.948 644 HB3 ASN 76 1HB ASN 76 0.038 5.681 -3.284 645 HD21 ASN 76 1HD2 ASN 76 -1.867 2.635 -3.332 646 HD22 ASN 76 2HD2 ASN 76 -2.977 3.169 -4.501 647 H LYS 77 H LYS 77 2.328 4.762 -4.279 648 HA LYS 77 HA LYS 77 1.631 3.664 -6.924 649 HB2 LYS 77 2HB LYS 77 3.792 5.544 -5.942 650 HB3 LYS 77 1HB LYS 77 3.654 5.027 -7.623 651 HG2 LYS 77 2HG LYS 77 1.388 5.957 -7.749 652 HG3 LYS 77 1HG LYS 77 1.470 6.427 -6.051 653 HD2 LYS 77 2HD LYS 77 3.323 7.947 -6.523 654 HD3 LYS 77 1HD LYS 77 3.351 7.428 -8.207 655 HE2 LYS 77 2HE LYS 77 1.049 8.272 -8.508 656 HE3 LYS 77 1HE LYS 77 1.028 8.805 -6.827 657 HZ1 LYS 77 3HZ LYS 77 3.033 10.162 -7.376 658 HZ2 LYS 77 1HZ LYS 77 1.606 10.666 -8.141 659 HZ3 LYS 77 2HZ LYS 77 2.772 9.790 -9.013 660 H ILE 78 H ILE 78 4.121 3.315 -4.448 661 HA ILE 78 HA ILE 78 5.881 1.665 -6.006 662 HB ILE 78 HB ILE 78 5.576 1.539 -3.001 663 HG12 ILE 78 2HG1 ILE 78 5.580 3.897 -3.495 664 HG13 ILE 78 1HG1 ILE 78 7.204 3.474 -2.963 665 HG21 ILE 78 1HG2 ILE 78 8.052 1.463 -4.737 666 HG22 ILE 78 2HG2 ILE 78 7.172 0.016 -4.248 667 HG23 ILE 78 3HG2 ILE 78 7.921 1.046 -3.030 668 HD11 ILE 78 3HD1 ILE 78 7.779 3.195 -5.450 669 HD12 ILE 78 1HD1 ILE 78 7.509 4.844 -4.886 670 HD13 ILE 78 2HD1 ILE 78 6.245 4.001 -5.781 671 H SER 79 H SER 79 3.524 0.808 -3.445 672 HA SER 79 HA SER 79 3.713 -1.978 -3.589 673 HB2 SER 79 2HB SER 79 1.081 -0.509 -3.356 674 HB3 SER 79 1HB SER 79 1.486 -2.092 -2.700 675 HG SER 79 HG SER 79 1.595 -0.100 -1.293 676 H LYS 80 H LYS 80 2.380 0.164 -5.983 677 HA LYS 80 HA LYS 80 0.871 -1.916 -7.375 678 HB2 LYS 80 2HB LYS 80 1.702 0.903 -8.105 679 HB3 LYS 80 1HB LYS 80 0.823 -0.141 -9.222 680 HG2 LYS 80 2HG LYS 80 -1.005 -0.377 -7.610 681 HG3 LYS 80 1HG LYS 80 -0.121 0.598 -6.436 682 HD2 LYS 80 2HD LYS 80 -0.232 2.543 -7.880 683 HD3 LYS 80 1HD LYS 80 -0.942 1.586 -9.181 684 HE2 LYS 80 2HE LYS 80 -2.652 2.899 -7.935 685 HE3 LYS 80 1HE LYS 80 -2.933 1.161 -7.826 686 HZ1 LYS 80 3HZ LYS 80 -1.205 1.985 -5.755 687 HZ2 LYS 80 1HZ LYS 80 -2.736 1.265 -5.638 688 HZ3 LYS 80 2HZ LYS 80 -2.599 2.956 -5.739 689 H PHE 81 H PHE 81 4.150 -0.860 -7.264 690 HA PHE 81 HA PHE 81 4.822 -2.018 -9.899 691 HB2 PHE 81 2HB PHE 81 6.289 -0.521 -7.732 692 HB3 PHE 81 1HB PHE 81 7.233 -1.494 -8.857 693 HD1 PHE 81 1HD PHE 81 6.767 -1.149 -11.395 694 HD2 PHE 81 2HD PHE 81 5.628 1.670 -8.361 695 HE1 PHE 81 1HE PHE 81 6.613 0.635 -13.109 696 HE2 PHE 81 2HE PHE 81 5.474 3.453 -10.075 697 HZ PHE 81 HZ PHE 81 5.967 2.936 -12.450 698 H LEU 82 H LEU 82 4.473 -2.950 -6.654 699 HA LEU 82 HA LEU 82 6.213 -5.362 -6.916 700 HB2 LEU 82 2HB LEU 82 4.749 -4.014 -4.639 701 HB3 LEU 82 1HB LEU 82 5.409 -5.637 -4.465 702 HG LEU 82 HG LEU 82 7.651 -4.895 -4.725 703 HD11 LEU 82 1HD1 LEU 82 8.190 -2.499 -5.339 704 HD12 LEU 82 2HD1 LEU 82 6.498 -2.300 -5.772 705 HD13 LEU 82 3HD1 LEU 82 7.503 -3.450 -6.649 706 HD21 LEU 82 3HD2 LEU 82 6.091 -2.805 -3.177 707 HD22 LEU 82 1HD2 LEU 82 7.846 -2.957 -3.119 708 HD23 LEU 82 2HD2 LEU 82 6.831 -4.272 -2.545 709 H LYS 83 H LYS 83 2.952 -4.765 -5.574 710 HA LYS 83 HA LYS 83 0.925 -5.853 -5.975 711 HB2 LYS 83 2HB LYS 83 2.057 -6.024 -8.421 712 HB3 LYS 83 1HB LYS 83 2.124 -7.728 -8.003 713 HG2 LYS 83 2HG LYS 83 0.019 -7.603 -9.023 714 HG3 LYS 83 1HG LYS 83 -0.411 -7.385 -7.331 715 HD2 LYS 83 2HD LYS 83 -1.583 -5.707 -8.622 716 HD3 LYS 83 1HD LYS 83 -0.336 -4.891 -7.689 717 HE2 LYS 83 2HE LYS 83 0.904 -4.350 -9.582 718 HE3 LYS 83 1HE LYS 83 0.395 -5.792 -10.462 719 HZ1 LYS 83 3HZ LYS 83 -0.884 -3.197 -10.252 720 HZ2 LYS 83 1HZ LYS 83 -1.926 -4.534 -10.202 721 HZ3 LYS 83 2HZ LYS 83 -0.889 -4.316 -11.530 722 H ASN 84 H ASN 84 3.754 -7.065 -4.867 723 HA ASN 84 HA ASN 84 2.563 -9.684 -4.035 724 HB2 ASN 84 2HB ASN 84 5.431 -8.765 -4.332 725 HB3 ASN 84 1HB ASN 84 4.989 -10.251 -3.492 726 HD21 ASN 84 1HD2 ASN 84 3.765 -8.738 -6.537 727 HD22 ASN 84 2HD2 ASN 84 4.013 -10.119 -7.492 728 H ARG 85 H ARG 85 3.791 -6.611 -2.955 729 HA ARG 85 HA ARG 85 3.449 -7.467 -0.080 730 HB2 ARG 85 2HB ARG 85 5.214 -5.328 -1.283 731 HB3 ARG 85 1HB ARG 85 4.972 -5.571 0.433 732 HG2 ARG 85 2HG ARG 85 6.858 -6.894 0.222 733 HG3 ARG 85 1HG ARG 85 5.683 -8.109 -0.236 734 HD2 ARG 85 2HD ARG 85 6.013 -7.200 -2.661 735 HD3 ARG 85 1HD ARG 85 7.492 -6.488 -2.018 736 HE ARG 85 HE ARG 85 7.522 -9.177 -1.210 737 HH11 ARG 85 1HH2 ARG 85 7.395 -7.330 -4.120 738 HH12 ARG 85 2HH2 ARG 85 8.236 -8.514 -5.065 739 HH21 ARG 85 1HH1 ARG 85 8.620 -10.733 -2.428 740 HH22 ARG 85 2HH1 ARG 85 8.930 -10.440 -4.106 741 H SER 86 H SER 86 3.037 -5.392 1.264 742 HA SER 86 HA SER 86 0.859 -3.801 -0.024 743 HB2 SER 86 2HB SER 86 1.004 -5.239 2.617 744 HB3 SER 86 1HB SER 86 0.004 -3.795 2.474 745 HG SER 86 HG SER 86 -1.173 -5.670 1.967 746 H ASP 87 H ASP 87 0.563 -1.728 1.030 747 HA ASP 87 HA ASP 87 2.957 -0.258 1.280 748 HB2 ASP 87 2HB ASP 87 1.438 1.502 2.363 749 HB3 ASP 87 1HB ASP 87 0.945 0.943 0.762 750 H ASN 88 H ASN 88 0.893 -1.765 3.692 751 HA ASN 88 HA ASN 88 2.157 -0.732 6.022 752 HB2 ASN 88 2HB ASN 88 0.017 -2.019 6.030 753 HB3 ASN 88 1HB ASN 88 0.928 -3.482 5.651 754 HD21 ASN 88 1HD2 ASN 88 -0.246 -1.601 8.234 755 HD22 ASN 88 2HD2 ASN 88 0.710 -2.265 9.469 756 H ASN 89 H ASN 89 3.087 -3.300 3.783 757 HA ASN 89 HA ASN 89 5.215 -4.302 5.543 758 HB2 ASN 89 2HB ASN 89 3.917 -5.677 3.846 759 HB3 ASN 89 1HB ASN 89 4.790 -4.802 2.593 760 HD21 ASN 89 1HD2 ASN 89 5.534 -7.220 2.224 761 HD22 ASN 89 2HD2 ASN 89 6.941 -7.693 3.048 762 H ILE 90 H ILE 90 4.881 -2.245 2.694 763 HA ILE 90 HA ILE 90 7.712 -1.897 2.264 764 HB ILE 90 HB ILE 90 5.377 -0.159 1.403 765 HG12 ILE 90 2HG1 ILE 90 6.806 -2.370 -0.098 766 HG13 ILE 90 1HG1 ILE 90 5.274 -2.590 0.730 767 HG21 ILE 90 1HG2 ILE 90 7.558 0.971 1.177 768 HG22 ILE 90 2HG2 ILE 90 6.927 0.536 -0.410 769 HG23 ILE 90 3HG2 ILE 90 8.205 -0.429 0.325 770 HD11 ILE 90 3HD1 ILE 90 4.474 -0.555 -0.709 771 HD12 ILE 90 1HD1 ILE 90 4.603 -2.143 -1.456 772 HD13 ILE 90 2HD1 ILE 90 5.870 -0.946 -1.713 773 H ARG 91 H ARG 91 5.202 0.219 3.648 774 HA ARG 91 HA ARG 91 6.938 2.306 4.508 775 HB2 ARG 91 2HB ARG 91 4.410 2.357 4.470 776 HB3 ARG 91 1HB ARG 91 4.423 1.352 5.908 777 HG2 ARG 91 2HG ARG 91 5.907 3.153 6.979 778 HG3 ARG 91 1HG ARG 91 5.483 4.171 5.606 779 HD2 ARG 91 2HD ARG 91 3.046 3.710 6.163 780 HD3 ARG 91 1HD ARG 91 3.614 2.976 7.662 781 HE ARG 91 HE ARG 91 4.762 5.586 7.404 782 HH11 ARG 91 1HH2 ARG 91 1.787 3.930 7.953 783 HH12 ARG 91 2HH2 ARG 91 1.100 5.204 8.903 784 HH21 ARG 91 1HH1 ARG 91 3.882 7.258 8.642 785 HH22 ARG 91 2HH1 ARG 91 2.286 7.089 9.294 786 H ASN 92 H ASN 92 6.083 -0.785 5.896 787 HA ASN 92 HA ASN 92 7.405 -0.228 8.464 788 HB2 ASN 92 2HB ASN 92 5.446 -1.706 8.387 789 HB3 ASN 92 1HB ASN 92 6.314 -2.815 7.324 790 HD21 ASN 92 1HD2 ASN 92 6.643 -1.271 10.569 791 HD22 ASN 92 2HD2 ASN 92 7.434 -2.594 11.278 792 H ARG 93 H ARG 93 8.116 -2.198 5.557 793 HA ARG 93 HA ARG 93 10.610 -3.174 6.706 794 HB2 ARG 93 2HB ARG 93 9.310 -4.397 4.956 795 HB3 ARG 93 1HB ARG 93 9.763 -3.146 3.801 796 HG2 ARG 93 2HG ARG 93 12.077 -3.708 3.932 797 HG3 ARG 93 1HG ARG 93 11.847 -4.663 5.394 798 HD2 ARG 93 2HD ARG 93 10.654 -6.354 4.199 799 HD3 ARG 93 1HD ARG 93 10.576 -5.373 2.745 800 HE ARG 93 HE ARG 93 12.753 -6.106 2.223 801 HH11 ARG 93 1HH2 ARG 93 12.036 -6.488 5.574 802 HH12 ARG 93 2HH2 ARG 93 13.518 -7.309 5.935 803 HH21 ARG 93 1HH1 ARG 93 14.691 -7.177 2.675 804 HH22 ARG 93 2HH1 ARG 93 15.021 -7.699 4.293 805 H TRP 94 H TRP 94 9.663 -0.495 4.648 806 HA TRP 94 HA TRP 94 12.397 0.280 4.000 807 HB2 TRP 94 2HB TRP 94 10.520 0.877 2.512 808 HB3 TRP 94 1HB TRP 94 9.803 1.842 3.803 809 HD1 TRP 94 HD TRP 94 10.896 4.160 4.377 810 HE1 TRP 94 1HE TRP 94 12.629 5.629 3.161 811 HE3 TRP 94 3HE TRP 94 12.682 0.790 0.982 812 HZ2 TRP 94 2HZ TRP 94 14.523 5.405 1.029 813 HZ3 TRP 94 3HZ TRP 94 14.449 1.442 -0.627 814 HH2 TRP 94 HH TRP 94 15.372 3.745 -0.608 815 H MET 95 H MET 95 9.926 1.344 6.332 816 HA MET 95 HA MET 95 11.535 3.484 7.413 817 HB2 MET 95 2HB MET 95 9.082 3.398 7.702 818 HB3 MET 95 1HB MET 95 9.251 1.946 8.689 819 HG2 MET 95 2HG MET 95 10.461 3.145 10.387 820 HG3 MET 95 1HG MET 95 10.605 4.571 9.360 821 HE1 MET 95 3HE MET 95 9.361 6.459 10.862 822 HE2 MET 95 1HE MET 95 9.933 5.155 11.911 823 HE3 MET 95 2HE MET 95 8.323 5.834 12.140 824 H MET 96 H MET 96 11.397 0.037 7.968 825 HA MET 96 HA MET 96 12.838 0.155 10.516 826 HB2 MET 96 2HB MET 96 11.239 -1.705 9.840 827 HB3 MET 96 1HB MET 96 12.468 -2.242 8.695 828 HG2 MET 96 2HG MET 96 12.789 -3.527 10.697 829 HG3 MET 96 1HG MET 96 14.089 -2.338 10.651 830 HE1 MET 96 3HE MET 96 12.783 -3.039 14.399 831 HE2 MET 96 1HE MET 96 14.138 -3.286 13.289 832 HE3 MET 96 2HE MET 96 12.612 -4.123 13.022 833 H ILE 97 H ILE 97 13.573 -0.483 7.108 834 HA ILE 97 HA ILE 97 16.410 -0.960 7.690 835 HB ILE 97 HB ILE 97 14.936 -0.652 5.057 836 HG12 ILE 97 2HG1 ILE 97 16.011 -3.151 6.400 837 HG13 ILE 97 1HG1 ILE 97 14.333 -2.627 6.538 838 HG21 ILE 97 1HG2 ILE 97 17.035 -1.790 4.173 839 HG22 ILE 97 2HG2 ILE 97 17.778 -1.457 5.736 840 HG23 ILE 97 3HG2 ILE 97 17.259 -0.125 4.705 841 HD11 ILE 97 3HD1 ILE 97 14.460 -4.239 4.738 842 HD12 ILE 97 1HD1 ILE 97 15.805 -3.372 3.997 843 HD13 ILE 97 2HD1 ILE 97 14.196 -2.650 4.023 844 H ALA 98 H ALA 98 14.340 1.672 6.648 845 HA ALA 98 HA ALA 98 16.522 3.378 5.763 846 HB1 ALA 98 1HB ALA 98 14.813 5.168 5.774 847 HB2 ALA 98 2HB ALA 98 13.686 4.080 6.584 848 HB3 ALA 98 3HB ALA 98 14.225 3.730 4.940 849 H ARG 99 H ARG 99 15.218 2.457 8.794 850 HA ARG 99 HA ARG 99 15.943 4.846 10.262 851 HB2 ARG 99 2HB ARG 99 14.248 3.199 11.076 852 HB3 ARG 99 1HB ARG 99 15.541 2.019 11.287 853 HG2 ARG 99 2HG ARG 99 16.655 3.466 12.905 854 HG3 ARG 99 1HG ARG 99 15.457 4.733 12.637 855 HD2 ARG 99 2HD ARG 99 13.685 3.091 13.387 856 HD3 ARG 99 1HD ARG 99 14.990 2.001 13.858 857 HE ARG 99 HE ARG 99 14.134 4.341 15.328 858 HH11 ARG 99 1HH2 ARG 99 16.833 2.405 14.402 859 HH12 ARG 99 2HH2 ARG 99 17.775 2.813 15.797 860 HH21 ARG 99 1HH1 ARG 99 15.349 4.885 17.155 861 HH22 ARG 99 2HH1 ARG 99 16.934 4.217 17.356 862 H HIS 100 H HIS 100 17.608 2.085 9.050 863 HA HIS 100 HA HIS 100 19.880 2.337 10.894 864 HB2 HIS 100 2HB HIS 100 19.143 0.134 9.916 865 HB3 HIS 100 1HB HIS 100 19.671 0.721 8.339 866 HD1 HIS 100 1HD HIS 100 21.816 -0.495 7.888 867 HD2 HIS 100 2HD HIS 100 21.666 0.991 11.783 868 HE1 HIS 100 1HE HIS 100 24.087 -0.951 8.919 869 HE2 HIS 100 2HE HIS 100 24.006 -0.050 11.288 870 H ARG 101 H ARG 101 19.035 3.182 7.569 871 HA ARG 101 HA ARG 101 21.708 4.240 6.991 872 HB2 ARG 101 2HB ARG 101 19.184 4.733 5.393 873 HB3 ARG 101 1HB ARG 101 20.854 4.745 4.823 874 HG2 ARG 101 2HG ARG 101 19.306 2.327 5.804 875 HG3 ARG 101 1HG ARG 101 19.774 2.662 4.137 876 HD2 ARG 101 2HD ARG 101 22.205 2.715 5.024 877 HD3 ARG 101 1HD ARG 101 21.553 1.942 6.470 878 HE ARG 101 HE ARG 101 20.723 0.562 4.063 879 HH11 ARG 101 1HH2 ARG 101 23.291 1.087 6.304 880 HH12 ARG 101 2HH2 ARG 101 24.022 -0.459 6.030 881 HH21 ARG 101 1HH1 ARG 101 21.664 -1.459 3.694 882 HH22 ARG 101 2HH1 ARG 101 23.101 -1.900 4.553 883 H ALA 102 H ALA 102 18.827 5.361 8.471 884 HA ALA 102 HA ALA 102 19.152 8.179 7.844 885 HB1 ALA 102 1HB ALA 102 17.593 6.742 10.011 886 HB2 ALA 102 2HB ALA 102 16.961 7.367 8.489 887 HB3 ALA 102 3HB ALA 102 17.518 8.482 9.735 888 H LYS 103 H LYS 103 20.795 6.025 9.894 889 HA LYS 103 HA LYS 103 21.539 8.031 11.920 890 HB2 LYS 103 2HB LYS 103 22.323 5.153 11.390 891 HB3 LYS 103 1HB LYS 103 23.082 6.122 12.654 892 HG2 LYS 103 2HG LYS 103 21.014 6.396 13.823 893 HG3 LYS 103 1HG LYS 103 20.079 5.784 12.459 894 HD2 LYS 103 2HD LYS 103 20.250 4.042 14.158 895 HD3 LYS 103 1HD LYS 103 21.182 3.565 12.740 896 HE2 LYS 103 2HE LYS 103 23.252 4.062 13.795 897 HE3 LYS 103 1HE LYS 103 22.473 5.003 15.069 898 HZ1 LYS 103 3HZ LYS 103 22.689 2.103 14.759 899 HZ2 LYS 103 1HZ LYS 103 21.277 2.713 15.474 900 HZ3 LYS 103 2HZ LYS 103 22.792 3.057 16.162 901 H HIS 104 H HIS 104 22.161 8.523 9.080 902 HA HIS 104 HA HIS 104 23.899 9.378 7.807 903 HB2 HIS 104 2HB HIS 104 25.612 9.274 10.290 904 HB3 HIS 104 1HB HIS 104 25.678 10.422 8.956 905 HD1 HIS 104 1HD HIS 104 25.308 11.393 11.892 906 HD2 HIS 104 2HD HIS 104 22.167 10.707 9.234 907 HE1 HIS 104 1HE HIS 104 23.349 12.768 12.727 908 HE2 HIS 104 2HE HIS 104 21.432 12.357 11.116 909 H GLN 105 H GLN 105 25.663 7.305 10.140 910 HA GLN 105 HA GLN 105 27.191 5.572 9.734 911 HB2 GLN 105 2HB GLN 105 25.095 4.415 9.154 912 HB3 GLN 105 1HB GLN 105 25.215 5.011 7.500 913 HG2 GLN 105 2HG GLN 105 27.230 3.756 7.107 914 HG3 GLN 105 1HG GLN 105 27.367 3.334 8.814 915 HE21 GLN 105 1HE2 GLN 105 24.122 3.307 7.633 916 HE22 GLN 105 2HE2 GLN 105 23.970 1.626 7.454 917 H LYS 106 H LYS 106 26.374 5.748 6.314 918 HA LYS 106 HA LYS 106 29.117 5.994 5.529 919 HB2 LYS 106 2HB LYS 106 27.241 5.082 4.102 920 HB3 LYS 106 1HB LYS 106 26.687 6.741 3.880 921 HG2 LYS 106 2HG LYS 106 28.888 7.347 2.929 922 HG3 LYS 106 1HG LYS 106 29.425 5.678 3.127 923 HD2 LYS 106 2HD LYS 106 27.533 4.945 1.660 924 HD3 LYS 106 1HD LYS 106 27.142 6.643 1.382 925 HE2 LYS 106 2HE LYS 106 28.519 5.908 -0.459 926 HE3 LYS 106 1HE LYS 106 29.505 6.964 0.553 927 HZ1 LYS 106 3HZ LYS 106 29.504 3.996 0.571 928 HZ2 LYS 106 1HZ LYS 106 30.379 4.964 1.654 929 HZ3 LYS 106 2HZ LYS 106 30.743 5.004 -0.005 930 H SER 107 H SER 107 26.464 8.400 5.347 931 HA SER 107 HA SER 107 28.062 10.594 4.548 932 HB2 SER 107 2HB SER 107 25.562 10.526 6.259 933 HB3 SER 107 1HB SER 107 26.267 12.003 5.609 934 HG SER 107 HG SER 107 24.557 10.910 4.336 Start of MODEL 9 1 H1 LYS 1 1HT LYS 1 -2.039 10.809 1.931 2 H2 LYS 1 2HT LYS 1 -0.653 10.302 2.775 3 H3 LYS 1 3HT LYS 1 -2.192 9.779 3.271 4 HA LYS 1 HA LYS 1 -0.570 8.909 0.984 5 HB2 LYS 1 2HB LYS 1 -0.818 7.711 3.258 6 HB3 LYS 1 1HB LYS 1 -2.464 7.338 2.752 7 HG2 LYS 1 2HG LYS 1 -1.401 6.386 0.596 8 HG3 LYS 1 1HG LYS 1 0.134 6.476 1.456 9 HD2 LYS 1 2HD LYS 1 -0.682 4.993 3.193 10 HD3 LYS 1 1HD LYS 1 -2.305 5.005 2.500 11 HE2 LYS 1 2HE LYS 1 -1.111 2.959 1.847 12 HE3 LYS 1 1HE LYS 1 -1.428 3.966 0.436 13 HZ1 LYS 1 2HZ LYS 1 0.781 4.727 0.409 14 HZ2 LYS 1 3HZ LYS 1 0.887 3.048 0.635 15 HZ3 LYS 1 1HZ LYS 1 1.114 4.093 1.950 16 H VAL 2 H VAL 2 -3.196 6.967 1.116 17 HA VAL 2 HA VAL 2 -4.275 7.929 -1.370 18 HB VAL 2 HB VAL 2 -5.689 6.074 0.568 19 HG11 VAL 2 1HG1 VAL 2 -5.671 6.390 -2.450 20 HG12 VAL 2 2HG1 VAL 2 -7.031 6.635 -1.355 21 HG13 VAL 2 3HG1 VAL 2 -6.396 5.013 -1.621 22 HG21 VAL 2 3HG2 VAL 2 -3.451 5.217 0.430 23 HG22 VAL 2 1HG2 VAL 2 -3.374 5.517 -1.306 24 HG23 VAL 2 2HG2 VAL 2 -4.425 4.248 -0.675 25 H LYS 3 H LYS 3 -6.676 8.506 -1.581 26 HA LYS 3 HA LYS 3 -7.278 10.891 -0.234 27 HB2 LYS 3 2HB LYS 3 -9.420 8.978 -1.193 28 HB3 LYS 3 1HB LYS 3 -9.474 10.739 -1.155 29 HG2 LYS 3 2HG LYS 3 -7.746 9.010 -2.950 30 HG3 LYS 3 1HG LYS 3 -9.089 10.037 -3.442 31 HD2 LYS 3 2HD LYS 3 -7.745 11.996 -2.438 32 HD3 LYS 3 1HD LYS 3 -6.374 10.884 -2.408 33 HE2 LYS 3 2HE LYS 3 -6.608 10.514 -4.832 34 HE3 LYS 3 1HE LYS 3 -7.988 11.613 -4.870 35 HZ1 LYS 3 3HZ LYS 3 -6.193 12.930 -5.482 36 HZ2 LYS 3 1HZ LYS 3 -5.151 12.235 -4.340 37 HZ3 LYS 3 2HZ LYS 3 -6.387 13.282 -3.831 38 H PHE 4 H PHE 4 -8.338 7.583 0.589 39 HA PHE 4 HA PHE 4 -9.612 8.579 3.069 40 HB2 PHE 4 2HB PHE 4 -10.126 6.128 3.404 41 HB3 PHE 4 1HB PHE 4 -10.865 6.868 2.002 42 HD1 PHE 4 1HD PHE 4 -8.082 4.661 3.131 43 HD2 PHE 4 2HD PHE 4 -10.308 6.185 -0.211 44 HE1 PHE 4 1HE PHE 4 -7.026 2.968 1.645 45 HE2 PHE 4 2HE PHE 4 -9.254 4.495 -1.690 46 HZ PHE 4 HZ PHE 4 -7.616 2.896 -0.766 47 H THR 5 H THR 5 -9.062 7.576 5.149 48 HA THR 5 HA THR 5 -6.129 7.433 5.490 49 HB THR 5 HB THR 5 -7.288 8.834 7.066 50 HG1 THR 5 1HG THR 5 -6.782 6.454 8.476 51 HG21 THR 5 3HG2 THR 5 -9.512 7.852 6.900 52 HG22 THR 5 1HG2 THR 5 -9.003 7.873 8.587 53 HG23 THR 5 2HG2 THR 5 -8.940 6.372 7.666 54 H GLU 6 H GLU 6 -5.209 5.778 6.860 55 HA GLU 6 HA GLU 6 -5.571 3.168 5.954 56 HB2 GLU 6 2HB GLU 6 -4.371 2.431 7.995 57 HB3 GLU 6 1HB GLU 6 -3.614 3.847 7.266 58 HG2 GLU 6 2HG GLU 6 -5.004 5.258 8.884 59 HG3 GLU 6 1HG GLU 6 -5.397 3.752 9.712 60 H GLU 7 H GLU 7 -7.147 4.692 8.778 61 HA GLU 7 HA GLU 7 -8.445 2.486 9.875 62 HB2 GLU 7 2HB GLU 7 -8.521 4.954 10.615 63 HB3 GLU 7 1HB GLU 7 -9.847 5.141 9.469 64 HG2 GLU 7 2HG GLU 7 -10.980 3.192 10.623 65 HG3 GLU 7 1HG GLU 7 -9.732 3.298 11.864 66 H GLU 8 H GLU 8 -9.318 4.339 6.985 67 HA GLU 8 HA GLU 8 -11.829 3.012 6.518 68 HB2 GLU 8 2HB GLU 8 -10.875 5.196 5.468 69 HB3 GLU 8 1HB GLU 8 -10.027 4.114 4.364 70 HG2 GLU 8 2HG GLU 8 -12.082 4.726 3.289 71 HG3 GLU 8 1HG GLU 8 -12.272 3.062 3.841 72 H ASP 9 H ASP 9 -8.513 2.528 5.352 73 HA ASP 9 HA ASP 9 -8.818 0.438 3.548 74 HB2 ASP 9 2HB ASP 9 -6.640 1.502 4.322 75 HB3 ASP 9 1HB ASP 9 -6.694 0.406 5.702 76 H LEU 10 H LEU 10 -9.100 0.336 7.029 77 HA LEU 10 HA LEU 10 -9.255 -2.558 7.232 78 HB2 LEU 10 2HB LEU 10 -10.520 -0.749 9.292 79 HB3 LEU 10 1HB LEU 10 -9.571 -2.215 9.530 80 HG LEU 10 HG LEU 10 -8.504 0.483 8.660 81 HD11 LEU 10 1HD1 LEU 10 -7.320 0.372 10.843 82 HD12 LEU 10 2HD1 LEU 10 -8.233 -1.090 11.223 83 HD13 LEU 10 3HD1 LEU 10 -9.075 0.446 11.011 84 HD21 LEU 10 3HD2 LEU 10 -7.168 -1.206 7.590 85 HD22 LEU 10 1HD2 LEU 10 -7.167 -2.203 9.043 86 HD23 LEU 10 2HD2 LEU 10 -6.270 -0.685 9.013 87 H LYS 11 H LYS 11 -11.520 0.123 6.871 88 HA LYS 11 HA LYS 11 -13.929 -1.358 7.256 89 HB2 LYS 11 2HB LYS 11 -13.466 1.241 6.947 90 HB3 LYS 11 1HB LYS 11 -13.766 0.896 5.246 91 HG2 LYS 11 2HG LYS 11 -15.931 -0.218 5.972 92 HG3 LYS 11 1HG LYS 11 -15.637 0.439 7.582 93 HD2 LYS 11 2HD LYS 11 -15.451 2.729 6.495 94 HD3 LYS 11 1HD LYS 11 -16.048 1.986 5.010 95 HE2 LYS 11 2HE LYS 11 -18.035 1.151 6.361 96 HE3 LYS 11 1HE LYS 11 -17.476 2.190 7.672 97 HZ1 LYS 11 3HZ LYS 11 -19.126 2.977 5.711 98 HZ2 LYS 11 1HZ LYS 11 -17.628 3.474 5.089 99 HZ3 LYS 11 2HZ LYS 11 -18.141 4.027 6.612 100 H LEU 12 H LEU 12 -11.647 -1.205 4.645 101 HA LEU 12 HA LEU 12 -13.376 -2.276 2.589 102 HB2 LEU 12 2HB LEU 12 -10.359 -2.468 2.749 103 HB3 LEU 12 1HB LEU 12 -11.363 -2.511 1.303 104 HG LEU 12 HG LEU 12 -11.019 -0.154 3.159 105 HD11 LEU 12 1HD1 LEU 12 -10.227 -0.402 0.249 106 HD12 LEU 12 2HD1 LEU 12 -9.114 -0.788 1.561 107 HD13 LEU 12 3HD1 LEU 12 -9.753 0.849 1.398 108 HD21 LEU 12 3HD2 LEU 12 -12.294 0.988 1.194 109 HD22 LEU 12 1HD2 LEU 12 -13.224 0.046 2.355 110 HD23 LEU 12 2HD2 LEU 12 -12.817 -0.645 0.783 111 H GLN 13 H GLN 13 -10.922 -3.671 4.782 112 HA GLN 13 HA GLN 13 -11.031 -6.331 3.844 113 HB2 GLN 13 2HB GLN 13 -9.489 -5.575 5.624 114 HB3 GLN 13 1HB GLN 13 -10.851 -5.391 6.727 115 HG2 GLN 13 2HG GLN 13 -11.322 -7.804 6.577 116 HG3 GLN 13 1HG GLN 13 -9.995 -8.000 5.431 117 HE21 GLN 13 1HE2 GLN 13 -10.126 -6.019 8.424 118 HE22 GLN 13 2HE2 GLN 13 -8.826 -6.802 9.183 119 H GLN 14 H GLN 14 -13.262 -4.610 6.000 120 HA GLN 14 HA GLN 14 -14.940 -6.999 6.401 121 HB2 GLN 14 2HB GLN 14 -15.592 -4.118 7.023 122 HB3 GLN 14 1HB GLN 14 -16.374 -5.557 7.678 123 HG2 GLN 14 2HG GLN 14 -14.182 -6.238 8.678 124 HG3 GLN 14 1HG GLN 14 -13.497 -4.709 8.125 125 HE21 GLN 14 1HE2 GLN 14 -16.230 -3.385 8.674 126 HE22 GLN 14 2HE2 GLN 14 -16.240 -3.153 10.355 127 H LEU 15 H LEU 15 -15.501 -3.820 4.809 128 HA LEU 15 HA LEU 15 -18.029 -4.490 3.718 129 HB2 LEU 15 2HB LEU 15 -15.874 -2.644 2.651 130 HB3 LEU 15 1HB LEU 15 -17.504 -2.718 1.999 131 HG LEU 15 HG LEU 15 -16.885 -2.115 4.908 132 HD11 LEU 15 1HD1 LEU 15 -17.477 0.257 4.234 133 HD12 LEU 15 2HD1 LEU 15 -17.354 -0.265 2.554 134 HD13 LEU 15 3HD1 LEU 15 -15.937 -0.328 3.603 135 HD21 LEU 15 3HD2 LEU 15 -19.285 -1.058 4.616 136 HD22 LEU 15 1HD2 LEU 15 -19.139 -2.797 4.837 137 HD23 LEU 15 2HD2 LEU 15 -19.402 -2.133 3.226 138 H VAL 16 H VAL 16 -14.817 -4.686 2.223 139 HA VAL 16 HA VAL 16 -15.662 -5.875 -0.204 140 HB VAL 16 HB VAL 16 -13.033 -6.346 1.226 141 HG11 VAL 16 1HG1 VAL 16 -12.235 -6.542 -1.170 142 HG12 VAL 16 2HG1 VAL 16 -13.927 -6.560 -1.654 143 HG13 VAL 16 3HG1 VAL 16 -13.291 -7.847 -0.629 144 HG21 VAL 16 3HG2 VAL 16 -13.737 -3.885 0.898 145 HG22 VAL 16 1HG2 VAL 16 -13.640 -4.203 -0.827 146 HG23 VAL 16 2HG2 VAL 16 -12.205 -4.362 0.178 147 H MET 17 H MET 17 -14.965 -7.312 2.987 148 HA MET 17 HA MET 17 -14.957 -10.025 2.078 149 HB2 MET 17 2HB MET 17 -14.176 -9.508 4.313 150 HB3 MET 17 1HB MET 17 -15.732 -8.807 4.747 151 HG2 MET 17 2HG MET 17 -16.815 -10.929 4.669 152 HG3 MET 17 1HG MET 17 -15.430 -11.684 3.881 153 HE1 MET 17 3HE MET 17 -16.061 -12.926 7.706 154 HE2 MET 17 1HE MET 17 -16.317 -13.361 6.011 155 HE3 MET 17 2HE MET 17 -17.263 -12.069 6.745 156 H ARG 18 H ARG 18 -17.515 -7.714 2.788 157 HA ARG 18 HA ARG 18 -19.650 -9.712 2.674 158 HB2 ARG 18 2HB ARG 18 -19.843 -7.549 3.930 159 HB3 ARG 18 1HB ARG 18 -19.841 -6.700 2.383 160 HG2 ARG 18 2HG ARG 18 -21.859 -7.892 1.688 161 HG3 ARG 18 1HG ARG 18 -21.843 -8.834 3.179 162 HD2 ARG 18 2HD ARG 18 -22.018 -5.811 3.115 163 HD3 ARG 18 1HD ARG 18 -23.427 -6.867 3.213 164 HE ARG 18 HE ARG 18 -21.616 -6.255 5.394 165 HH11 ARG 18 1HH2 ARG 18 -23.658 -8.635 3.959 166 HH12 ARG 18 2HH2 ARG 18 -23.975 -9.453 5.452 167 HH21 ARG 18 1HH1 ARG 18 -22.020 -7.311 7.350 168 HH22 ARG 18 2HH1 ARG 18 -23.048 -8.704 7.371 169 H TYR 19 H TYR 19 -17.944 -7.674 0.388 170 HA TYR 19 HA TYR 19 -19.893 -8.335 -1.784 171 HB2 TYR 19 2HB TYR 19 -17.507 -6.456 -1.759 172 HB3 TYR 19 1HB TYR 19 -18.637 -6.666 -3.095 173 HD1 TYR 19 1HD TYR 19 -21.216 -6.470 -2.389 174 HD2 TYR 19 2HD TYR 19 -17.937 -4.674 -0.266 175 HE1 TYR 19 1HE TYR 19 -22.772 -4.849 -1.350 176 HE2 TYR 19 2HE TYR 19 -19.498 -3.055 0.769 177 HH TYR 19 HH TYR 19 -22.795 -3.438 0.799 178 H GLY 20 H GLY 20 -17.080 -9.540 -0.432 179 HA2 GLY 20 2HA GLY 20 -15.805 -11.395 -1.163 180 HA3 GLY 20 1HA GLY 20 -16.605 -11.293 -2.733 181 H ALA 21 H ALA 21 -16.018 -9.258 -3.989 182 HA ALA 21 HA ALA 21 -13.915 -7.547 -3.781 183 HB1 ALA 21 1HB ALA 21 -12.873 -10.335 -4.238 184 HB2 ALA 21 2HB ALA 21 -12.186 -9.044 -3.253 185 HB3 ALA 21 3HB ALA 21 -12.029 -8.988 -5.001 186 H LYS 22 H LYS 22 -16.193 -7.584 -5.275 187 HA LYS 22 HA LYS 22 -15.118 -7.239 -8.004 188 HB2 LYS 22 2HB LYS 22 -16.716 -8.725 -9.068 189 HB3 LYS 22 1HB LYS 22 -15.760 -9.634 -7.900 190 HG2 LYS 22 2HG LYS 22 -17.638 -9.202 -6.222 191 HG3 LYS 22 1HG LYS 22 -18.599 -8.630 -7.585 192 HD2 LYS 22 2HD LYS 22 -17.379 -11.390 -7.267 193 HD3 LYS 22 1HD LYS 22 -19.093 -10.985 -7.192 194 HE2 LYS 22 2HE LYS 22 -17.262 -10.966 -9.592 195 HE3 LYS 22 1HE LYS 22 -18.816 -11.777 -9.400 196 HZ1 LYS 22 3HZ LYS 22 -19.522 -9.993 -10.556 197 HZ2 LYS 22 1HZ LYS 22 -18.238 -9.003 -10.058 198 HZ3 LYS 22 2HZ LYS 22 -19.556 -9.268 -9.020 199 H ASP 23 H ASP 23 -17.350 -6.348 -5.584 200 HA ASP 23 HA ASP 23 -19.019 -4.799 -7.542 201 HB2 ASP 23 2HB ASP 23 -19.659 -5.190 -4.610 202 HB3 ASP 23 1HB ASP 23 -20.749 -4.772 -5.932 203 H TRP 24 H TRP 24 -16.494 -3.849 -7.137 204 HA TRP 24 HA TRP 24 -16.191 -2.051 -4.937 205 HB2 TRP 24 2HB TRP 24 -14.988 -1.911 -7.714 206 HB3 TRP 24 1HB TRP 24 -14.410 -1.019 -6.302 207 HD1 TRP 24 HD TRP 24 -14.324 -4.419 -7.939 208 HE1 TRP 24 1HE TRP 24 -12.841 -5.996 -6.532 209 HE3 TRP 24 3HE TRP 24 -13.676 -1.524 -3.823 210 HZ2 TRP 24 2HZ TRP 24 -11.547 -6.004 -3.968 211 HZ3 TRP 24 3HZ TRP 24 -12.313 -2.309 -1.919 212 HH2 TRP 24 HH TRP 24 -11.255 -4.543 -1.976 213 H ILE 25 H ILE 25 -18.275 -1.921 -7.609 214 HA ILE 25 HA ILE 25 -18.368 0.963 -7.914 215 HB ILE 25 HB ILE 25 -20.655 0.375 -8.996 216 HG12 ILE 25 2HG1 ILE 25 -19.514 -2.431 -8.826 217 HG13 ILE 25 1HG1 ILE 25 -20.768 -1.843 -7.736 218 HG21 ILE 25 1HG2 ILE 25 -18.118 -0.902 -10.065 219 HG22 ILE 25 2HG2 ILE 25 -18.595 0.780 -10.294 220 HG23 ILE 25 3HG2 ILE 25 -19.551 -0.515 -11.017 221 HD11 ILE 25 3HD1 ILE 25 -22.254 -1.397 -9.615 222 HD12 ILE 25 1HD1 ILE 25 -21.695 -3.068 -9.707 223 HD13 ILE 25 2HD1 ILE 25 -20.989 -1.842 -10.759 224 H ARG 26 H ARG 26 -20.005 -1.448 -5.932 225 HA ARG 26 HA ARG 26 -21.938 0.446 -4.866 226 HB2 ARG 26 2HB ARG 26 -21.094 -2.347 -4.062 227 HB3 ARG 26 1HB ARG 26 -22.301 -1.428 -3.161 228 HG2 ARG 26 2HG ARG 26 -23.703 -1.248 -5.150 229 HG3 ARG 26 1HG ARG 26 -22.480 -2.071 -6.118 230 HD2 ARG 26 2HD ARG 26 -22.732 -4.101 -4.820 231 HD3 ARG 26 1HD ARG 26 -23.821 -3.293 -3.694 232 HE ARG 26 HE ARG 26 -25.034 -2.997 -6.188 233 HH11 ARG 26 1HH2 ARG 26 -23.867 -5.568 -4.208 234 HH12 ARG 26 2HH2 ARG 26 -25.028 -6.717 -4.785 235 HH21 ARG 26 1HH1 ARG 26 -26.556 -4.482 -6.952 236 HH22 ARG 26 2HH1 ARG 26 -26.550 -6.102 -6.337 237 H ILE 27 H ILE 27 -18.969 -1.118 -3.694 238 HA ILE 27 HA ILE 27 -18.902 0.080 -1.148 239 HB ILE 27 HB ILE 27 -16.531 -0.547 -2.929 240 HG12 ILE 27 2HG1 ILE 27 -17.928 -2.278 -0.863 241 HG13 ILE 27 1HG1 ILE 27 -18.159 -2.439 -2.601 242 HG21 ILE 27 1HG2 ILE 27 -16.844 -0.196 0.067 243 HG22 ILE 27 2HG2 ILE 27 -15.881 0.803 -1.021 244 HG23 ILE 27 3HG2 ILE 27 -15.399 -0.859 -0.696 245 HD11 ILE 27 3HD1 ILE 27 -15.601 -2.712 -2.749 246 HD12 ILE 27 1HD1 ILE 27 -16.506 -4.056 -2.055 247 HD13 ILE 27 2HD1 ILE 27 -15.645 -2.936 -1.002 248 H SER 28 H SER 28 -17.911 1.338 -4.297 249 HA SER 28 HA SER 28 -16.682 3.735 -3.209 250 HB2 SER 28 2HB SER 28 -17.653 2.996 -5.974 251 HB3 SER 28 1HB SER 28 -16.886 4.539 -5.607 252 HG SER 28 HG SER 28 -15.020 3.541 -5.239 253 H GLN 29 H GLN 29 -19.939 2.821 -4.168 254 HA GLN 29 HA GLN 29 -21.013 5.475 -4.386 255 HB2 GLN 29 2HB GLN 29 -22.242 2.789 -3.739 256 HB3 GLN 29 1HB GLN 29 -23.221 4.253 -3.732 257 HG2 GLN 29 2HG GLN 29 -21.474 3.575 -6.109 258 HG3 GLN 29 1HG GLN 29 -23.083 2.878 -5.945 259 HE21 GLN 29 1HE2 GLN 29 -21.547 5.384 -7.436 260 HE22 GLN 29 2HE2 GLN 29 -22.802 6.526 -7.467 261 H LEU 30 H LEU 30 -20.506 3.327 -1.611 262 HA LEU 30 HA LEU 30 -21.887 5.008 0.285 263 HB2 LEU 30 2HB LEU 30 -19.558 3.195 0.964 264 HB3 LEU 30 1HB LEU 30 -20.947 3.614 1.967 265 HG LEU 30 HG LEU 30 -20.988 1.918 -0.546 266 HD11 LEU 30 1HD1 LEU 30 -21.566 0.104 0.949 267 HD12 LEU 30 2HD1 LEU 30 -21.653 1.205 2.324 268 HD13 LEU 30 3HD1 LEU 30 -20.099 0.869 1.560 269 HD21 LEU 30 3HD2 LEU 30 -23.049 3.127 -0.527 270 HD22 LEU 30 1HD2 LEU 30 -23.202 2.989 1.226 271 HD23 LEU 30 2HD2 LEU 30 -23.425 1.569 0.203 272 H MET 31 H MET 31 -18.441 4.635 -0.561 273 HA MET 31 HA MET 31 -17.872 7.282 0.753 274 HB2 MET 31 2HB MET 31 -16.099 4.901 0.143 275 HB3 MET 31 1HB MET 31 -15.481 6.459 0.692 276 HG2 MET 31 2HG MET 31 -17.588 4.898 2.205 277 HG3 MET 31 1HG MET 31 -15.861 4.748 2.530 278 HE1 MET 31 3HE MET 31 -16.982 5.393 5.028 279 HE2 MET 31 1HE MET 31 -18.523 5.762 4.243 280 HE3 MET 31 2HE MET 31 -17.778 6.937 5.322 281 H ILE 32 H ILE 32 -18.960 7.860 -1.530 282 HA ILE 32 HA ILE 32 -17.655 7.579 -3.981 283 HB ILE 32 HB ILE 32 -18.575 9.892 -4.495 284 HG12 ILE 32 2HG1 ILE 32 -19.552 9.669 -1.629 285 HG13 ILE 32 1HG1 ILE 32 -18.267 10.753 -2.163 286 HG21 ILE 32 1HG2 ILE 32 -20.901 9.173 -4.330 287 HG22 ILE 32 2HG2 ILE 32 -20.477 7.989 -3.093 288 HG23 ILE 32 3HG2 ILE 32 -19.896 7.784 -4.745 289 HD11 ILE 32 3HD1 ILE 32 -20.313 12.027 -2.109 290 HD12 ILE 32 1HD1 ILE 32 -21.166 10.789 -3.032 291 HD13 ILE 32 2HD1 ILE 32 -19.903 11.750 -3.802 292 H THR 33 H THR 33 -16.434 9.085 -1.179 293 HA THR 33 HA THR 33 -14.785 11.123 -2.293 294 HB THR 33 HB THR 33 -15.032 11.104 0.073 295 HG1 THR 33 1HG THR 33 -12.623 10.212 0.497 296 HG21 THR 33 3HG2 THR 33 -14.204 9.116 1.414 297 HG22 THR 33 1HG2 THR 33 -14.092 8.233 -0.108 298 HG23 THR 33 2HG2 THR 33 -15.656 8.819 0.459 299 H ARG 34 H ARG 34 -14.717 7.928 -3.106 300 HA ARG 34 HA ARG 34 -11.920 8.155 -4.089 301 HB2 ARG 34 2HB ARG 34 -11.234 6.019 -3.172 302 HB3 ARG 34 1HB ARG 34 -11.809 7.033 -1.849 303 HG2 ARG 34 2HG ARG 34 -14.151 5.798 -2.510 304 HG3 ARG 34 1HG ARG 34 -13.021 4.547 -3.003 305 HD2 ARG 34 2HD ARG 34 -11.992 4.614 -0.740 306 HD3 ARG 34 1HD ARG 34 -13.162 5.840 -0.260 307 HE ARG 34 HE ARG 34 -14.756 3.776 -1.163 308 HH11 ARG 34 1HH2 ARG 34 -12.129 4.080 1.049 309 HH12 ARG 34 2HH2 ARG 34 -12.682 2.808 2.086 310 HH21 ARG 34 1HH1 ARG 34 -15.497 2.120 0.185 311 HH22 ARG 34 2HH1 ARG 34 -14.588 1.700 1.598 312 H ASN 35 H ASN 35 -11.471 6.456 -5.744 313 HA ASN 35 HA ASN 35 -13.951 5.816 -7.233 314 HB2 ASN 35 2HB ASN 35 -11.122 5.488 -8.227 315 HB3 ASN 35 1HB ASN 35 -12.595 5.665 -9.179 316 HD21 ASN 35 1HD2 ASN 35 -13.826 7.856 -7.923 317 HD22 ASN 35 2HD2 ASN 35 -12.837 9.227 -8.073 318 HA PRO 36 HA PRO 36 -14.058 1.445 -6.376 319 HB2 PRO 36 2HB PRO 36 -13.793 1.132 -9.368 320 HB3 PRO 36 1HB PRO 36 -14.903 0.317 -8.253 321 HG2 PRO 36 2HG PRO 36 -15.747 2.325 -9.769 322 HG3 PRO 36 1HG PRO 36 -16.315 2.141 -8.098 323 HD2 PRO 36 2HD PRO 36 -14.406 4.151 -9.212 324 HD3 PRO 36 1HD PRO 36 -15.479 4.265 -7.800 325 H ARG 37 H ARG 37 -11.779 2.440 -8.914 326 HA ARG 37 HA ARG 37 -9.979 0.255 -8.636 327 HB2 ARG 37 2HB ARG 37 -10.105 1.886 -10.561 328 HB3 ARG 37 1HB ARG 37 -9.302 3.067 -9.525 329 HG2 ARG 37 2HG ARG 37 -7.382 1.600 -9.266 330 HG3 ARG 37 1HG ARG 37 -8.191 0.332 -10.186 331 HD2 ARG 37 2HD ARG 37 -6.496 1.775 -11.470 332 HD3 ARG 37 1HD ARG 37 -8.085 1.579 -12.207 333 HE ARG 37 HE ARG 37 -7.967 3.931 -10.513 334 HH11 ARG 37 1HH2 ARG 37 -7.169 2.576 -13.582 335 HH12 ARG 37 2HH2 ARG 37 -7.198 4.098 -14.409 336 HH21 ARG 37 1HH1 ARG 37 -8.008 5.925 -11.576 337 HH22 ARG 37 2HH1 ARG 37 -7.672 5.993 -13.274 338 H GLN 38 H GLN 38 -10.351 3.237 -6.813 339 HA GLN 38 HA GLN 38 -7.711 3.200 -5.649 340 HB2 GLN 38 2HB GLN 38 -10.278 4.510 -4.731 341 HB3 GLN 38 1HB GLN 38 -8.714 4.761 -3.964 342 HG2 GLN 38 2HG GLN 38 -9.177 5.234 -6.916 343 HG3 GLN 38 1HG GLN 38 -9.355 6.504 -5.705 344 HE21 GLN 38 1HE2 GLN 38 -7.390 7.146 -4.493 345 HE22 GLN 38 2HE2 GLN 38 -5.849 6.809 -5.120 346 H CYS 39 H CYS 39 -10.878 1.915 -4.469 347 HA CYS 39 HA CYS 39 -9.598 0.968 -2.004 348 HB2 CYS 39 2HB CYS 39 -12.260 0.194 -3.210 349 HB3 CYS 39 1HB CYS 39 -11.738 -0.099 -1.554 350 HG CYS 39 HG CYS 39 -13.151 2.107 -1.588 351 H ARG 40 H ARG 40 -10.251 -0.267 -5.208 352 HA ARG 40 HA ARG 40 -9.943 -3.049 -4.670 353 HB2 ARG 40 2HB ARG 40 -10.760 -2.306 -6.827 354 HB3 ARG 40 1HB ARG 40 -9.283 -1.394 -7.116 355 HG2 ARG 40 2HG ARG 40 -9.390 -3.591 -8.349 356 HG3 ARG 40 1HG ARG 40 -7.978 -3.423 -7.313 357 HD2 ARG 40 2HD ARG 40 -8.868 -4.888 -5.675 358 HD3 ARG 40 1HD ARG 40 -10.503 -4.757 -6.324 359 HE ARG 40 HE ARG 40 -8.813 -5.858 -8.339 360 HH11 ARG 40 1HH2 ARG 40 -10.189 -6.550 -5.254 361 HH12 ARG 40 2HH2 ARG 40 -10.247 -8.262 -5.516 362 HH21 ARG 40 1HH1 ARG 40 -8.881 -8.087 -8.700 363 HH22 ARG 40 2HH1 ARG 40 -9.507 -9.131 -7.467 364 H GLU 41 H GLU 41 -7.569 -0.551 -5.581 365 HA GLU 41 HA GLU 41 -5.256 -2.139 -5.672 366 HB2 GLU 41 2HB GLU 41 -5.666 0.712 -4.735 367 HB3 GLU 41 1HB GLU 41 -4.066 -0.017 -4.870 368 HG2 GLU 41 2HG GLU 41 -4.325 -0.366 -7.230 369 HG3 GLU 41 1HG GLU 41 -6.040 0.042 -7.166 370 H ARG 42 H ARG 42 -7.079 -0.978 -2.877 371 HA ARG 42 HA ARG 42 -5.037 -1.633 -0.926 372 HB2 ARG 42 2HB ARG 42 -8.043 -1.597 -0.530 373 HB3 ARG 42 1HB ARG 42 -6.817 -1.467 0.728 374 HG2 ARG 42 2HG ARG 42 -7.298 0.525 -1.510 375 HG3 ARG 42 1HG ARG 42 -7.706 0.749 0.191 376 HD2 ARG 42 2HD ARG 42 -5.650 1.870 0.060 377 HD3 ARG 42 1HD ARG 42 -5.124 0.268 0.566 378 HE ARG 42 HE ARG 42 -5.145 0.278 -2.262 379 HH11 ARG 42 1HH2 ARG 42 -3.612 1.854 0.395 380 HH12 ARG 42 2HH2 ARG 42 -2.132 2.142 -0.457 381 HH21 ARG 42 1HH1 ARG 42 -3.220 0.647 -3.390 382 HH22 ARG 42 2HH1 ARG 42 -1.910 1.459 -2.599 383 H TRP 43 H TRP 43 -7.755 -3.465 -2.291 384 HA TRP 43 HA TRP 43 -7.800 -5.741 -0.710 385 HB2 TRP 43 2HB TRP 43 -9.203 -5.314 -2.737 386 HB3 TRP 43 1HB TRP 43 -7.818 -5.731 -3.733 387 HD1 TRP 43 HD TRP 43 -7.811 -8.134 -4.504 388 HE1 TRP 43 1HE TRP 43 -8.752 -10.371 -3.637 389 HE3 TRP 43 3HE TRP 43 -9.918 -6.575 -0.117 390 HZ2 TRP 43 2HZ TRP 43 -10.197 -11.370 -1.384 391 HZ3 TRP 43 3HZ TRP 43 -11.064 -8.190 1.369 392 HH2 TRP 43 HH TRP 43 -11.209 -10.584 0.741 393 H ASN 44 H ASN 44 -5.703 -5.443 -3.606 394 HA ASN 44 HA ASN 44 -4.196 -7.806 -2.808 395 HB2 ASN 44 2HB ASN 44 -2.731 -7.150 -4.756 396 HB3 ASN 44 1HB ASN 44 -4.435 -7.361 -5.158 397 HD21 ASN 44 1HD2 ASN 44 -5.712 -5.420 -5.603 398 HD22 ASN 44 2HD2 ASN 44 -4.964 -3.931 -5.924 399 H ASN 45 H ASN 45 -3.404 -4.315 -2.931 400 HA ASN 45 HA ASN 45 -0.771 -4.811 -1.757 401 HB2 ASN 45 2HB ASN 45 -2.292 -2.225 -2.224 402 HB3 ASN 45 1HB ASN 45 -0.599 -2.337 -1.746 403 HD21 ASN 45 1HD2 ASN 45 -1.801 -1.279 -4.322 404 HD22 ASN 45 2HD2 ASN 45 -1.055 -2.176 -5.554 405 H TYR 46 H TYR 46 -3.474 -5.350 -0.191 406 HA TYR 46 HA TYR 46 -2.323 -4.344 2.344 407 HB2 TYR 46 2HB TYR 46 -4.226 -2.768 1.160 408 HB3 TYR 46 1HB TYR 46 -5.255 -3.801 2.146 409 HD1 TYR 46 2HD TYR 46 -3.929 -4.309 4.577 410 HD2 TYR 46 1HD TYR 46 -3.737 -0.719 2.221 411 HE1 TYR 46 2HE TYR 46 -3.321 -3.014 6.600 412 HE2 TYR 46 1HE TYR 46 -3.125 0.573 4.245 413 HH TYR 46 HH TYR 46 -3.215 0.464 6.592 414 H ILE 47 H ILE 47 -5.352 -5.940 1.155 415 HA ILE 47 HA ILE 47 -4.618 -8.274 2.835 416 HB ILE 47 HB ILE 47 -6.516 -8.321 4.198 417 HG12 ILE 47 2HG1 ILE 47 -8.281 -7.921 2.506 418 HG13 ILE 47 1HG1 ILE 47 -8.520 -6.931 3.929 419 HG21 ILE 47 1HG2 ILE 47 -6.673 -6.114 5.259 420 HG22 ILE 47 2HG2 ILE 47 -5.907 -5.372 3.858 421 HG23 ILE 47 3HG2 ILE 47 -5.005 -6.508 4.858 422 HD11 ILE 47 3HD1 ILE 47 -7.144 -5.926 1.443 423 HD12 ILE 47 1HD1 ILE 47 -7.625 -4.980 2.839 424 HD13 ILE 47 2HD1 ILE 47 -8.847 -5.681 1.782 425 H ASN 48 H ASN 48 -4.800 -10.001 1.682 426 HA ASN 48 HA ASN 48 -7.087 -10.892 0.278 427 HB2 ASN 48 2HB ASN 48 -6.901 -9.891 -1.769 428 HB3 ASN 48 1HB ASN 48 -5.444 -9.088 -1.255 429 HD21 ASN 48 1HD2 ASN 48 -3.425 -9.852 -2.052 430 HD22 ASN 48 2HD2 ASN 48 -3.292 -11.160 -3.125 431 HA PRO 49 HA PRO 49 -3.530 -13.958 -0.149 432 HB2 PRO 49 2HB PRO 49 -0.960 -13.155 -0.234 433 HB3 PRO 49 1HB PRO 49 -2.068 -12.812 -1.577 434 HG2 PRO 49 2HG PRO 49 -0.954 -10.947 0.439 435 HG3 PRO 49 1HG PRO 49 -1.576 -10.606 -1.183 436 HD2 PRO 49 2HD PRO 49 -2.994 -10.393 1.377 437 HD3 PRO 49 1HD PRO 49 -3.549 -9.906 -0.232 438 H ALA 50 H ALA 50 -0.869 -12.586 1.492 439 HA ALA 50 HA ALA 50 -1.620 -12.932 4.227 440 HB1 ALA 50 1HB ALA 50 -0.321 -15.304 2.857 441 HB2 ALA 50 2HB ALA 50 -1.808 -15.293 3.803 442 HB3 ALA 50 3HB ALA 50 -0.254 -15.062 4.602 443 H LEU 51 H LEU 51 -0.043 -11.340 2.290 444 HA LEU 51 HA LEU 51 2.747 -11.652 2.704 445 HB2 LEU 51 2HB LEU 51 2.854 -9.194 2.079 446 HB3 LEU 51 1HB LEU 51 2.043 -10.243 0.927 447 HG LEU 51 HG LEU 51 -0.161 -9.561 2.166 448 HD11 LEU 51 1HD1 LEU 51 0.083 -7.136 3.038 449 HD12 LEU 51 2HD1 LEU 51 1.790 -7.518 3.233 450 HD13 LEU 51 3HD1 LEU 51 0.569 -8.439 4.106 451 HD21 LEU 51 3HD2 LEU 51 -0.405 -7.593 0.735 452 HD22 LEU 51 1HD2 LEU 51 0.481 -8.844 -0.135 453 HD23 LEU 51 2HD2 LEU 51 1.343 -7.477 0.564 454 H ARG 52 H ARG 52 0.620 -11.283 5.114 455 HA ARG 52 HA ARG 52 1.387 -9.131 6.715 456 HB2 ARG 52 2HB ARG 52 0.823 -11.986 7.572 457 HB3 ARG 52 1HB ARG 52 0.874 -10.605 8.668 458 HG2 ARG 52 2HG ARG 52 -0.904 -9.517 7.239 459 HG3 ARG 52 1HG ARG 52 -1.045 -11.044 6.367 460 HD2 ARG 52 2HD ARG 52 -2.733 -10.881 8.169 461 HD3 ARG 52 1HD ARG 52 -1.606 -12.205 8.463 462 HE ARG 52 HE ARG 52 -0.494 -10.034 9.804 463 HH11 ARG 52 1HH2 ARG 52 -3.509 -11.707 9.743 464 HH12 ARG 52 2HH2 ARG 52 -3.869 -11.392 11.407 465 HH21 ARG 52 1HH1 ARG 52 -0.948 -9.614 11.978 466 HH22 ARG 52 2HH1 ARG 52 -2.419 -10.207 12.673 467 H THR 53 H THR 53 3.337 -11.720 5.628 468 HA THR 53 HA THR 53 5.616 -10.716 7.260 469 HB THR 53 HB THR 53 4.957 -12.556 8.618 470 HG1 THR 53 1HG THR 53 7.140 -12.675 7.136 471 HG21 THR 53 3HG2 THR 53 4.477 -14.804 7.595 472 HG22 THR 53 1HG2 THR 53 4.533 -14.034 6.010 473 HG23 THR 53 2HG2 THR 53 3.298 -13.561 7.176 474 H ASP 54 H ASP 54 5.584 -9.960 4.772 475 HA ASP 54 HA ASP 54 7.436 -11.823 3.320 476 HB2 ASP 54 2HB ASP 54 5.007 -10.381 2.231 477 HB3 ASP 54 1HB ASP 54 6.297 -10.984 1.191 478 HA PRO 55 HA PRO 55 9.082 -7.512 3.507 479 HB2 PRO 55 2HB PRO 55 11.375 -7.942 4.828 480 HB3 PRO 55 1HB PRO 55 9.824 -7.946 5.698 481 HG2 PRO 55 2HG PRO 55 11.450 -10.270 4.742 482 HG3 PRO 55 1HG PRO 55 10.644 -10.035 6.305 483 HD2 PRO 55 2HD PRO 55 9.555 -11.501 4.204 484 HD3 PRO 55 1HD PRO 55 8.583 -10.747 5.490 485 H TRP 56 H TRP 56 10.341 -6.687 1.877 486 HA TRP 56 HA TRP 56 11.648 -8.559 0.033 487 HB2 TRP 56 2HB TRP 56 12.270 -6.166 -1.041 488 HB3 TRP 56 1HB TRP 56 10.701 -6.915 -1.266 489 HD1 TRP 56 HD TRP 56 8.704 -6.060 0.408 490 HE1 TRP 56 1HE TRP 56 8.276 -3.677 1.326 491 HE3 TRP 56 3HE TRP 56 13.370 -4.071 -0.138 492 HZ2 TRP 56 2HZ TRP 56 9.746 -1.266 1.780 493 HZ3 TRP 56 3HZ TRP 56 13.826 -1.745 0.540 494 HH2 TRP 56 HH TRP 56 12.029 -0.336 1.504 495 H SER 57 H SER 57 13.867 -7.222 -0.871 496 HA SER 57 HA SER 57 15.664 -6.985 1.521 497 HB2 SER 57 2HB SER 57 15.533 -9.193 -0.167 498 HB3 SER 57 1HB SER 57 16.891 -8.293 -0.827 499 HG SER 57 HG SER 57 17.519 -9.702 0.864 500 HA PRO 58 HA PRO 58 17.903 -3.578 -0.177 501 HB2 PRO 58 2HB PRO 58 20.083 -5.406 -1.167 502 HB3 PRO 58 1HB PRO 58 20.226 -3.867 -0.287 503 HG2 PRO 58 2HG PRO 58 20.525 -6.110 1.033 504 HG3 PRO 58 1HG PRO 58 19.521 -4.823 1.733 505 HD2 PRO 58 2HD PRO 58 18.651 -7.357 0.375 506 HD3 PRO 58 1HD PRO 58 17.949 -6.560 1.802 507 H GLU 59 H GLU 59 17.155 -6.163 -2.297 508 HA GLU 59 HA GLU 59 18.003 -4.990 -4.774 509 HB2 GLU 59 2HB GLU 59 15.815 -7.028 -4.248 510 HB3 GLU 59 1HB GLU 59 16.546 -6.677 -5.815 511 HG2 GLU 59 2HG GLU 59 18.771 -7.331 -4.859 512 HG3 GLU 59 1HG GLU 59 17.943 -7.826 -3.383 513 H GLU 60 H GLU 60 14.832 -5.175 -3.092 514 HA GLU 60 HA GLU 60 13.635 -3.349 -5.040 515 HB2 GLU 60 2HB GLU 60 12.641 -4.260 -2.330 516 HB3 GLU 60 1HB GLU 60 11.694 -3.373 -3.516 517 HG2 GLU 60 2HG GLU 60 12.174 -5.258 -5.150 518 HG3 GLU 60 1HG GLU 60 12.837 -6.163 -3.788 519 H ASP 61 H ASP 61 15.452 -3.077 -2.084 520 HA ASP 61 HA ASP 61 14.549 -0.463 -1.299 521 HB2 ASP 61 2HB ASP 61 16.078 -2.113 0.015 522 HB3 ASP 61 1HB ASP 61 17.396 -1.430 -0.934 523 H MET 62 H MET 62 17.471 -1.454 -3.110 524 HA MET 62 HA MET 62 18.187 1.176 -3.931 525 HB2 MET 62 2HB MET 62 18.731 -1.516 -5.218 526 HB3 MET 62 1HB MET 62 19.491 -0.007 -5.726 527 HG2 MET 62 2HG MET 62 20.408 0.293 -3.449 528 HG3 MET 62 1HG MET 62 19.668 -1.229 -2.955 529 HE1 MET 62 3HE MET 62 22.580 -0.974 -2.355 530 HE2 MET 62 1HE MET 62 23.215 -2.502 -2.980 531 HE3 MET 62 2HE MET 62 21.642 -2.456 -2.189 532 H LEU 63 H LEU 63 15.979 -1.242 -5.271 533 HA LEU 63 HA LEU 63 15.517 0.313 -7.729 534 HB2 LEU 63 2HB LEU 63 15.161 -2.300 -7.155 535 HB3 LEU 63 1HB LEU 63 13.530 -1.749 -6.799 536 HG LEU 63 HG LEU 63 15.035 -1.404 -9.414 537 HD11 LEU 63 1HD1 LEU 63 14.191 -3.657 -9.116 538 HD12 LEU 63 2HD1 LEU 63 13.145 -2.825 -10.266 539 HD13 LEU 63 3HD1 LEU 63 12.620 -3.046 -8.597 540 HD21 LEU 63 3HD2 LEU 63 12.690 -0.556 -10.156 541 HD22 LEU 63 1HD2 LEU 63 13.711 0.553 -9.244 542 HD23 LEU 63 2HD2 LEU 63 12.392 -0.297 -8.437 543 H LEU 64 H LEU 64 14.159 0.133 -4.525 544 HA LEU 64 HA LEU 64 11.715 1.601 -5.175 545 HB2 LEU 64 2HB LEU 64 11.695 0.055 -3.314 546 HB3 LEU 64 1HB LEU 64 13.055 0.865 -2.552 547 HG LEU 64 HG LEU 64 10.658 2.590 -3.107 548 HD11 LEU 64 1HD1 LEU 64 10.632 0.610 -0.808 549 HD12 LEU 64 2HD1 LEU 64 9.664 0.423 -2.268 550 HD13 LEU 64 3HD1 LEU 64 9.391 1.795 -1.201 551 HD21 LEU 64 3HD2 LEU 64 11.211 3.416 -0.806 552 HD22 LEU 64 1HD2 LEU 64 12.584 3.527 -1.899 553 HD23 LEU 64 2HD2 LEU 64 12.505 2.228 -0.715 554 H ASP 65 H ASP 65 14.849 2.344 -3.654 555 HA ASP 65 HA ASP 65 14.417 5.000 -2.897 556 HB2 ASP 65 2HB ASP 65 16.541 3.651 -2.603 557 HB3 ASP 65 1HB ASP 65 16.929 4.027 -4.283 558 H GLN 66 H GLN 66 14.810 3.671 -6.124 559 HA GLN 66 HA GLN 66 15.192 6.239 -7.421 560 HB2 GLN 66 2HB GLN 66 15.768 3.859 -8.311 561 HB3 GLN 66 1HB GLN 66 14.074 3.778 -8.784 562 HG2 GLN 66 2HG GLN 66 15.995 5.975 -9.625 563 HG3 GLN 66 1HG GLN 66 15.550 4.595 -10.625 564 HE21 GLN 66 1HE2 GLN 66 14.614 7.778 -9.717 565 HE22 GLN 66 2HE2 GLN 66 13.077 7.772 -10.436 566 H LYS 67 H LYS 67 12.382 4.123 -6.859 567 HA LYS 67 HA LYS 67 10.544 5.929 -8.233 568 HB2 LYS 67 2HB LYS 67 9.775 3.824 -6.194 569 HB3 LYS 67 1HB LYS 67 8.823 4.428 -7.550 570 HG2 LYS 67 2HG LYS 67 11.361 2.777 -7.746 571 HG3 LYS 67 1HG LYS 67 9.724 2.211 -8.075 572 HD2 LYS 67 2HD LYS 67 9.603 4.090 -9.834 573 HD3 LYS 67 1HD LYS 67 11.351 4.225 -9.639 574 HE2 LYS 67 2HE LYS 67 11.514 1.753 -10.129 575 HE3 LYS 67 1HE LYS 67 9.799 1.786 -10.538 576 HZ1 LYS 67 3HZ LYS 67 10.343 2.505 -12.543 577 HZ2 LYS 67 1HZ LYS 67 11.988 2.530 -12.130 578 HZ3 LYS 67 2HZ LYS 67 11.027 3.906 -11.865 579 H TYR 68 H TYR 68 11.034 5.071 -4.805 580 HA TYR 68 HA TYR 68 9.285 6.928 -3.637 581 HB2 TYR 68 2HB TYR 68 10.230 5.416 -2.109 582 HB3 TYR 68 1HB TYR 68 11.846 5.604 -2.778 583 HD1 TYR 68 1HD TYR 68 13.159 7.685 -2.311 584 HD2 TYR 68 2HD TYR 68 9.464 6.814 -0.302 585 HE1 TYR 68 1HE TYR 68 13.720 9.351 -0.566 586 HE2 TYR 68 2HE TYR 68 10.026 8.479 1.445 587 HH TYR 68 HH TYR 68 13.137 10.207 1.412 588 H ALA 69 H ALA 69 12.564 7.403 -4.870 589 HA ALA 69 HA ALA 69 13.096 9.980 -3.881 590 HB1 ALA 69 1HB ALA 69 14.847 8.879 -5.053 591 HB2 ALA 69 2HB ALA 69 14.406 10.229 -6.097 592 HB3 ALA 69 3HB ALA 69 13.834 8.601 -6.469 593 H GLU 70 H GLU 70 11.199 8.982 -6.702 594 HA GLU 70 HA GLU 70 10.478 11.793 -7.316 595 HB2 GLU 70 2HB GLU 70 9.977 9.124 -8.652 596 HB3 GLU 70 1HB GLU 70 9.202 10.610 -9.204 597 HG2 GLU 70 2HG GLU 70 11.346 11.641 -9.649 598 HG3 GLU 70 1HG GLU 70 12.200 10.285 -8.909 599 H TYR 71 H TYR 71 8.808 8.718 -6.590 600 HA TYR 71 HA TYR 71 6.238 10.004 -6.253 601 HB2 TYR 71 2HB TYR 71 7.246 7.242 -5.573 602 HB3 TYR 71 1HB TYR 71 5.569 7.741 -5.382 603 HD1 TYR 71 1HD TYR 71 4.258 8.519 -7.384 604 HD2 TYR 71 2HD TYR 71 8.130 6.693 -7.740 605 HE1 TYR 71 1HE TYR 71 3.832 8.082 -9.787 606 HE2 TYR 71 2HE TYR 71 7.704 6.255 -10.143 607 HH TYR 71 HH TYR 71 5.899 7.610 -11.964 608 H GLY 72 H GLY 72 8.656 8.741 -3.961 609 HA2 GLY 72 2HA GLY 72 9.034 9.658 -1.763 610 HA3 GLY 72 1HA GLY 72 7.491 10.507 -1.871 611 HA PRO 73 HA PRO 73 6.921 6.759 0.821 612 HB2 PRO 73 2HB PRO 73 5.079 8.595 2.278 613 HB3 PRO 73 1HB PRO 73 6.392 7.584 2.917 614 HG2 PRO 73 2HG PRO 73 6.629 10.257 2.742 615 HG3 PRO 73 1HG PRO 73 8.011 9.176 2.476 616 HD2 PRO 73 2HD PRO 73 6.327 10.613 0.430 617 HD3 PRO 73 1HD PRO 73 8.087 10.347 0.450 618 H LYS 74 H LYS 74 5.419 7.726 -1.703 619 HA LYS 74 HA LYS 74 2.607 7.113 -1.029 620 HB2 LYS 74 2HB LYS 74 4.100 7.753 -3.575 621 HB3 LYS 74 1HB LYS 74 2.416 7.241 -3.600 622 HG2 LYS 74 2HG LYS 74 1.768 9.127 -2.213 623 HG3 LYS 74 1HG LYS 74 3.455 9.592 -1.992 624 HD2 LYS 74 2HD LYS 74 3.623 9.898 -4.484 625 HD3 LYS 74 1HD LYS 74 1.884 9.624 -4.583 626 HE2 LYS 74 2HE LYS 74 1.478 11.539 -3.101 627 HE3 LYS 74 1HE LYS 74 3.215 11.803 -2.945 628 HZ1 LYS 74 3HZ LYS 74 3.135 11.906 -5.506 629 HZ2 LYS 74 1HZ LYS 74 2.636 13.257 -4.611 630 HZ3 LYS 74 2HZ LYS 74 1.478 12.213 -5.286 631 H TRP 75 H TRP 75 3.611 4.975 -0.119 632 HA TRP 75 HA TRP 75 4.614 2.942 -1.769 633 HB2 TRP 75 2HB TRP 75 2.654 2.303 0.430 634 HB3 TRP 75 1HB TRP 75 4.133 1.459 -0.015 635 HD1 TRP 75 HD TRP 75 2.891 3.544 2.601 636 HE1 TRP 75 1HE TRP 75 4.780 4.764 3.859 637 HE3 TRP 75 3HE TRP 75 6.725 2.960 -0.735 638 HZ2 TRP 75 2HZ TRP 75 7.528 5.421 3.505 639 HZ3 TRP 75 3HZ TRP 75 8.959 3.905 -0.246 640 HH2 TRP 75 HH TRP 75 9.367 5.132 1.867 641 H ASN 76 H ASN 76 1.630 4.447 -1.863 642 HA ASN 76 HA ASN 76 -0.009 2.261 -2.800 643 HB2 ASN 76 2HB ASN 76 -1.482 4.153 -3.623 644 HB3 ASN 76 1HB ASN 76 -1.094 4.217 -1.905 645 HD21 ASN 76 1HD2 ASN 76 -1.156 6.105 -4.699 646 HD22 ASN 76 2HD2 ASN 76 -0.076 7.320 -4.209 647 H LYS 77 H LYS 77 2.139 4.608 -4.285 648 HA LYS 77 HA LYS 77 1.437 3.776 -7.025 649 HB2 LYS 77 2HB LYS 77 3.529 5.641 -5.873 650 HB3 LYS 77 1HB LYS 77 3.392 5.308 -7.596 651 HG2 LYS 77 2HG LYS 77 0.965 6.241 -6.046 652 HG3 LYS 77 1HG LYS 77 2.161 7.413 -6.586 653 HD2 LYS 77 2HD LYS 77 1.892 6.534 -8.925 654 HD3 LYS 77 1HD LYS 77 0.582 5.507 -8.342 655 HE2 LYS 77 2HE LYS 77 0.638 8.520 -8.038 656 HE3 LYS 77 1HE LYS 77 -0.215 7.670 -9.327 657 HZ1 LYS 77 3HZ LYS 77 -0.692 6.938 -6.517 658 HZ2 LYS 77 1HZ LYS 77 -1.714 6.759 -7.860 659 HZ3 LYS 77 2HZ LYS 77 -1.469 8.297 -7.179 660 H ILE 78 H ILE 78 3.888 3.202 -4.585 661 HA ILE 78 HA ILE 78 5.697 1.774 -6.364 662 HB ILE 78 HB ILE 78 5.582 1.533 -3.349 663 HG12 ILE 78 2HG1 ILE 78 5.454 3.895 -3.762 664 HG13 ILE 78 1HG1 ILE 78 7.119 3.531 -3.330 665 HG21 ILE 78 1HG2 ILE 78 8.074 1.420 -3.667 666 HG22 ILE 78 2HG2 ILE 78 7.808 1.405 -5.408 667 HG23 ILE 78 3HG2 ILE 78 7.201 0.082 -4.411 668 HD11 ILE 78 3HD1 ILE 78 7.470 3.324 -5.923 669 HD12 ILE 78 1HD1 ILE 78 7.372 4.924 -5.191 670 HD13 ILE 78 2HD1 ILE 78 5.969 4.247 -6.015 671 H SER 79 H SER 79 3.495 0.765 -3.746 672 HA SER 79 HA SER 79 3.806 -1.981 -3.871 673 HB2 SER 79 2HB SER 79 2.293 -0.742 -2.299 674 HB3 SER 79 1HB SER 79 1.125 -0.614 -3.610 675 HG SER 79 HG SER 79 2.237 -3.103 -2.894 676 H LYS 80 H LYS 80 2.359 0.018 -6.320 677 HA LYS 80 HA LYS 80 0.934 -2.207 -7.583 678 HB2 LYS 80 2HB LYS 80 0.186 -0.657 -9.157 679 HB3 LYS 80 1HB LYS 80 0.454 0.359 -7.749 680 HG2 LYS 80 2HG LYS 80 1.604 1.669 -9.275 681 HG3 LYS 80 1HG LYS 80 2.917 0.570 -8.887 682 HD2 LYS 80 2HD LYS 80 2.930 0.478 -11.227 683 HD3 LYS 80 1HD LYS 80 1.900 -0.900 -10.845 684 HE2 LYS 80 2HE LYS 80 0.722 0.287 -12.532 685 HE3 LYS 80 1HE LYS 80 -0.077 0.751 -11.030 686 HZ1 LYS 80 3HZ LYS 80 0.342 2.704 -12.309 687 HZ2 LYS 80 1HZ LYS 80 1.977 2.299 -12.511 688 HZ3 LYS 80 2HZ LYS 80 1.390 2.722 -10.973 689 H PHE 81 H PHE 81 4.126 -0.905 -7.640 690 HA PHE 81 HA PHE 81 4.864 -2.243 -10.156 691 HB2 PHE 81 2HB PHE 81 6.293 -0.576 -8.080 692 HB3 PHE 81 1HB PHE 81 7.232 -1.514 -9.240 693 HD1 PHE 81 2HD PHE 81 6.683 -1.216 -11.747 694 HD2 PHE 81 1HD PHE 81 5.410 1.540 -8.707 695 HE1 PHE 81 2HE PHE 81 6.335 0.529 -13.473 696 HE2 PHE 81 1HE PHE 81 5.062 3.283 -10.433 697 HZ PHE 81 HZ PHE 81 5.525 2.779 -12.817 698 H LEU 82 H LEU 82 4.336 -3.044 -6.969 699 HA LEU 82 HA LEU 82 6.275 -5.348 -6.973 700 HB2 LEU 82 2HB LEU 82 4.728 -3.889 -4.832 701 HB3 LEU 82 1HB LEU 82 5.401 -5.481 -4.522 702 HG LEU 82 HG LEU 82 7.636 -4.725 -4.746 703 HD11 LEU 82 1HD1 LEU 82 7.582 -3.450 -6.784 704 HD12 LEU 82 2HD1 LEU 82 8.155 -2.361 -5.530 705 HD13 LEU 82 3HD1 LEU 82 6.487 -2.262 -6.081 706 HD21 LEU 82 3HD2 LEU 82 6.119 -2.398 -3.533 707 HD22 LEU 82 1HD2 LEU 82 7.797 -2.826 -3.210 708 HD23 LEU 82 2HD2 LEU 82 6.499 -3.898 -2.700 709 H LYS 83 H LYS 83 2.976 -4.847 -5.683 710 HA LYS 83 HA LYS 83 1.023 -6.074 -5.992 711 HB2 LYS 83 2HB LYS 83 2.153 -6.216 -8.432 712 HB3 LYS 83 1HB LYS 83 2.293 -7.913 -8.006 713 HG2 LYS 83 2HG LYS 83 -0.101 -8.093 -7.658 714 HG3 LYS 83 1HG LYS 83 -0.315 -6.355 -7.863 715 HD2 LYS 83 2HD LYS 83 0.757 -8.215 -10.008 716 HD3 LYS 83 1HD LYS 83 -0.913 -7.667 -9.910 717 HE2 LYS 83 2HE LYS 83 0.249 -5.248 -9.848 718 HE3 LYS 83 1HE LYS 83 1.539 -6.117 -10.678 719 HZ1 LYS 83 3HZ LYS 83 -0.844 -6.932 -11.831 720 HZ2 LYS 83 1HZ LYS 83 0.360 -5.956 -12.521 721 HZ3 LYS 83 2HZ LYS 83 -0.940 -5.241 -11.692 722 H ASN 84 H ASN 84 3.777 -6.963 -4.676 723 HA ASN 84 HA ASN 84 2.790 -9.662 -3.821 724 HB2 ASN 84 2HB ASN 84 5.619 -8.663 -4.233 725 HB3 ASN 84 1HB ASN 84 5.234 -10.155 -3.373 726 HD21 ASN 84 1HD2 ASN 84 3.822 -8.728 -6.372 727 HD22 ASN 84 2HD2 ASN 84 4.110 -10.096 -7.333 728 H ARG 85 H ARG 85 4.020 -6.531 -2.948 729 HA ARG 85 HA ARG 85 3.937 -7.250 -0.025 730 HB2 ARG 85 2HB ARG 85 5.048 -4.647 -1.061 731 HB3 ARG 85 1HB ARG 85 5.493 -5.549 0.382 732 HG2 ARG 85 2HG ARG 85 6.113 -6.410 -2.466 733 HG3 ARG 85 1HG ARG 85 7.253 -5.665 -1.358 734 HD2 ARG 85 2HD ARG 85 6.752 -7.579 0.254 735 HD3 ARG 85 1HD ARG 85 5.923 -8.364 -1.091 736 HE ARG 85 HE ARG 85 8.649 -7.495 -1.722 737 HH11 ARG 85 1HH2 ARG 85 6.582 -9.960 -0.475 738 HH12 ARG 85 2HH2 ARG 85 7.699 -11.243 -0.799 739 HH21 ARG 85 1HH1 ARG 85 10.117 -9.158 -2.149 740 HH22 ARG 85 2HH1 ARG 85 9.699 -10.790 -1.745 741 H SER 86 H SER 86 3.351 -5.020 1.190 742 HA SER 86 HA SER 86 0.892 -3.869 -0.074 743 HB2 SER 86 2HB SER 86 0.000 -3.868 2.366 744 HB3 SER 86 1HB SER 86 -0.016 -5.392 1.490 745 HG SER 86 HG SER 86 0.898 -5.496 3.637 746 H ASP 87 H ASP 87 0.388 -1.780 0.721 747 HA ASP 87 HA ASP 87 2.609 -0.042 1.009 748 HB2 ASP 87 2HB ASP 87 0.850 1.634 1.805 749 HB3 ASP 87 1HB ASP 87 0.549 0.903 0.228 750 H ASN 88 H ASN 88 0.787 -1.892 3.285 751 HA ASN 88 HA ASN 88 1.716 -0.466 5.658 752 HB2 ASN 88 2HB ASN 88 -0.412 -1.850 5.506 753 HB3 ASN 88 1HB ASN 88 0.614 -3.285 5.489 754 HD21 ASN 88 1HD2 ASN 88 -1.281 -2.571 7.635 755 HD22 ASN 88 2HD2 ASN 88 -0.360 -2.359 9.045 756 H ASN 89 H ASN 89 2.768 -3.159 3.662 757 HA ASN 89 HA ASN 89 4.815 -4.038 5.575 758 HB2 ASN 89 2HB ASN 89 3.618 -5.547 3.910 759 HB3 ASN 89 1HB ASN 89 4.525 -4.733 2.634 760 HD21 ASN 89 1HD2 ASN 89 5.879 -6.538 2.071 761 HD22 ASN 89 2HD2 ASN 89 7.029 -7.188 3.138 762 H ILE 90 H ILE 90 4.727 -2.489 2.375 763 HA ILE 90 HA ILE 90 7.466 -2.002 2.052 764 HB ILE 90 HB ILE 90 5.129 -0.257 1.246 765 HG12 ILE 90 2HG1 ILE 90 6.652 -2.369 -0.300 766 HG13 ILE 90 1HG1 ILE 90 5.121 -2.670 0.510 767 HG21 ILE 90 1HG2 ILE 90 8.006 -0.350 0.285 768 HG22 ILE 90 2HG2 ILE 90 7.196 1.013 1.055 769 HG23 ILE 90 3HG2 ILE 90 6.713 0.500 -0.560 770 HD11 ILE 90 3HD1 ILE 90 4.572 -2.211 -1.738 771 HD12 ILE 90 1HD1 ILE 90 5.655 -0.825 -1.814 772 HD13 ILE 90 2HD1 ILE 90 4.174 -0.741 -0.860 773 H ARG 91 H ARG 91 5.066 0.187 3.544 774 HA ARG 91 HA ARG 91 6.887 2.187 4.389 775 HB2 ARG 91 2HB ARG 91 4.479 2.535 4.524 776 HB3 ARG 91 1HB ARG 91 4.308 1.199 5.646 777 HG2 ARG 91 2HG ARG 91 4.251 3.447 6.756 778 HG3 ARG 91 1HG ARG 91 5.533 2.409 7.367 779 HD2 ARG 91 2HD ARG 91 7.215 3.627 6.232 780 HD3 ARG 91 1HD ARG 91 6.060 4.363 5.121 781 HE ARG 91 HE ARG 91 5.704 6.041 6.729 782 HH11 ARG 91 1HH2 ARG 91 7.041 3.189 8.131 783 HH12 ARG 91 2HH2 ARG 91 7.228 3.890 9.704 784 HH21 ARG 91 1HH1 ARG 91 5.941 6.973 8.775 785 HH22 ARG 91 2HH1 ARG 91 6.605 6.031 10.068 786 H ASN 92 H ASN 92 6.056 -0.941 5.711 787 HA ASN 92 HA ASN 92 7.425 -0.527 8.253 788 HB2 ASN 92 2HB ASN 92 5.533 -2.172 7.857 789 HB3 ASN 92 1HB ASN 92 6.690 -3.179 6.988 790 HD21 ASN 92 1HD2 ASN 92 6.276 -4.794 8.790 791 HD22 ASN 92 2HD2 ASN 92 7.124 -4.614 10.250 792 H ARG 93 H ARG 93 8.278 -2.090 5.153 793 HA ARG 93 HA ARG 93 10.847 -3.027 6.192 794 HB2 ARG 93 2HB ARG 93 9.489 -2.975 3.517 795 HB3 ARG 93 1HB ARG 93 11.242 -3.154 3.532 796 HG2 ARG 93 2HG ARG 93 9.996 -5.333 3.524 797 HG3 ARG 93 1HG ARG 93 11.107 -5.148 4.877 798 HD2 ARG 93 2HD ARG 93 8.272 -4.276 5.300 799 HD3 ARG 93 1HD ARG 93 8.593 -5.999 5.256 800 HE ARG 93 HE ARG 93 10.455 -4.638 6.998 801 HH11 ARG 93 1HH2 ARG 93 7.239 -5.835 6.658 802 HH12 ARG 93 2HH2 ARG 93 7.014 -6.093 8.356 803 HH21 ARG 93 1HH1 ARG 93 10.179 -4.967 9.216 804 HH22 ARG 93 2HH1 ARG 93 8.678 -5.602 9.803 805 H TRP 94 H TRP 94 9.805 -0.289 4.151 806 HA TRP 94 HA TRP 94 12.396 0.800 3.708 807 HB2 TRP 94 2HB TRP 94 10.437 1.601 2.474 808 HB3 TRP 94 1HB TRP 94 9.720 2.210 3.964 809 HD1 TRP 94 HD TRP 94 10.165 4.661 4.447 810 HE1 TRP 94 1HE TRP 94 11.917 6.404 3.715 811 HE3 TRP 94 3HE TRP 94 13.230 1.704 1.627 812 HZ2 TRP 94 2HZ TRP 94 14.303 6.528 2.143 813 HZ3 TRP 94 3HZ TRP 94 15.233 2.660 0.526 814 HH2 TRP 94 HH TRP 94 15.773 5.065 0.780 815 H MET 95 H MET 95 10.106 1.203 6.391 816 HA MET 95 HA MET 95 11.676 3.212 7.754 817 HB2 MET 95 2HB MET 95 9.206 2.720 8.123 818 HB3 MET 95 1HB MET 95 9.707 1.287 9.018 819 HG2 MET 95 2HG MET 95 9.394 3.029 10.639 820 HG3 MET 95 1HG MET 95 11.135 2.823 10.456 821 HE1 MET 95 3HE MET 95 9.833 5.425 11.748 822 HE2 MET 95 1HE MET 95 10.963 6.594 11.050 823 HE3 MET 95 2HE MET 95 11.537 5.014 11.575 824 H MET 96 H MET 96 11.614 -0.317 7.786 825 HA MET 96 HA MET 96 13.421 -0.516 10.083 826 HB2 MET 96 2HB MET 96 11.751 -2.295 9.510 827 HB3 MET 96 1HB MET 96 12.666 -2.627 8.038 828 HG2 MET 96 2HG MET 96 14.636 -3.220 9.342 829 HG3 MET 96 1HG MET 96 13.818 -2.771 10.839 830 HE1 MET 96 3HE MET 96 15.182 -5.549 9.341 831 HE2 MET 96 1HE MET 96 14.338 -6.786 10.285 832 HE3 MET 96 2HE MET 96 15.026 -5.376 11.088 833 H ILE 97 H ILE 97 13.643 -0.506 6.572 834 HA ILE 97 HA ILE 97 16.494 -1.207 6.592 835 HB ILE 97 HB ILE 97 14.645 -0.295 4.366 836 HG12 ILE 97 2HG1 ILE 97 15.845 -3.033 4.880 837 HG13 ILE 97 1HG1 ILE 97 14.250 -2.565 5.469 838 HG21 ILE 97 1HG2 ILE 97 16.882 0.306 3.727 839 HG22 ILE 97 2HG2 ILE 97 16.527 -1.215 2.909 840 HG23 ILE 97 3HG2 ILE 97 17.536 -1.208 4.356 841 HD11 ILE 97 3HD1 ILE 97 14.251 -3.778 3.241 842 HD12 ILE 97 1HD1 ILE 97 15.057 -2.367 2.558 843 HD13 ILE 97 2HD1 ILE 97 13.436 -2.214 3.236 844 H ALA 98 H ALA 98 14.470 1.665 6.362 845 HA ALA 98 HA ALA 98 16.656 3.437 5.624 846 HB1 ALA 98 1HB ALA 98 14.311 4.021 5.118 847 HB2 ALA 98 2HB ALA 98 15.054 5.246 6.145 848 HB3 ALA 98 3HB ALA 98 13.948 4.063 6.843 849 H ARG 99 H ARG 99 15.584 1.959 8.518 850 HA ARG 99 HA ARG 99 16.574 3.977 10.357 851 HB2 ARG 99 2HB ARG 99 14.886 2.433 11.147 852 HB3 ARG 99 1HB ARG 99 15.871 1.044 10.700 853 HG2 ARG 99 2HG ARG 99 17.189 2.963 12.582 854 HG3 ARG 99 1HG ARG 99 15.795 2.118 13.243 855 HD2 ARG 99 2HD ARG 99 17.968 0.590 11.806 856 HD3 ARG 99 1HD ARG 99 18.123 1.004 13.513 857 HE ARG 99 HE ARG 99 15.568 -0.192 13.106 858 HH11 ARG 99 1HH2 ARG 99 18.944 -0.891 13.029 859 HH12 ARG 99 2HH2 ARG 99 18.745 -2.555 13.465 860 HH21 ARG 99 1HH1 ARG 99 15.289 -2.361 13.675 861 HH22 ARG 99 2HH1 ARG 99 16.676 -3.388 13.831 862 H HIS 100 H HIS 100 17.897 1.466 8.450 863 HA HIS 100 HA HIS 100 20.362 1.170 10.009 864 HB2 HIS 100 2HB HIS 100 19.384 0.125 7.341 865 HB3 HIS 100 1HB HIS 100 21.024 -0.170 7.915 866 HD1 HIS 100 1HD HIS 100 17.498 -0.504 9.365 867 HD2 HIS 100 2HD HIS 100 21.150 -2.520 9.351 868 HE1 HIS 100 1HE HIS 100 17.159 -2.614 10.729 869 HE2 HIS 100 2HE HIS 100 19.375 -3.847 10.726 870 H ARG 101 H ARG 101 19.216 2.863 7.132 871 HA ARG 101 HA ARG 101 21.889 3.865 6.454 872 HB2 ARG 101 2HB ARG 101 20.078 3.416 4.748 873 HB3 ARG 101 1HB ARG 101 19.208 4.804 5.402 874 HG2 ARG 101 2HG ARG 101 21.099 6.272 4.882 875 HG3 ARG 101 1HG ARG 101 22.027 4.894 4.290 876 HD2 ARG 101 2HD ARG 101 20.203 4.490 2.597 877 HD3 ARG 101 1HD ARG 101 19.468 6.008 3.113 878 HE ARG 101 HE ARG 101 21.787 5.753 1.399 879 HH11 ARG 101 1HH2 ARG 101 20.280 7.611 3.883 880 HH12 ARG 101 2HH2 ARG 101 21.051 9.093 3.425 881 HH21 ARG 101 1HH1 ARG 101 22.803 7.678 0.789 882 HH22 ARG 101 2HH1 ARG 101 22.479 9.130 1.674 883 H ALA 102 H ALA 102 19.217 4.820 8.434 884 HA ALA 102 HA ALA 102 19.698 7.652 8.482 885 HB1 ALA 102 1HB ALA 102 18.437 7.563 10.651 886 HB2 ALA 102 2HB ALA 102 18.455 5.803 10.538 887 HB3 ALA 102 3HB ALA 102 17.602 6.756 9.324 888 H LYS 103 H LYS 103 21.442 4.997 9.770 889 HA LYS 103 HA LYS 103 22.614 6.319 12.054 890 HB2 LYS 103 2HB LYS 103 23.413 3.928 10.378 891 HB3 LYS 103 1HB LYS 103 24.366 4.470 11.761 892 HG2 LYS 103 2HG LYS 103 22.347 4.252 13.201 893 HG3 LYS 103 1HG LYS 103 21.454 3.626 11.814 894 HD2 LYS 103 2HD LYS 103 22.900 1.704 11.654 895 HD3 LYS 103 1HD LYS 103 24.007 2.371 12.855 896 HE2 LYS 103 2HE LYS 103 22.363 0.590 13.692 897 HE3 LYS 103 1HE LYS 103 22.428 2.091 14.616 898 HZ1 LYS 103 3HZ LYS 103 20.474 2.871 13.559 899 HZ2 LYS 103 1HZ LYS 103 20.147 1.289 14.074 900 HZ3 LYS 103 2HZ LYS 103 20.479 1.595 12.437 901 H HIS 104 H HIS 104 22.734 7.341 9.022 902 HA HIS 104 HA HIS 104 24.260 8.560 7.720 903 HB2 HIS 104 2HB HIS 104 25.259 9.085 10.531 904 HB3 HIS 104 1HB HIS 104 25.880 9.926 9.112 905 HD1 HIS 104 1HD HIS 104 24.721 11.970 10.681 906 HD2 HIS 104 2HD HIS 104 22.183 9.452 8.533 907 HE1 HIS 104 1HE HIS 104 22.504 13.182 10.486 908 HE2 HIS 104 2HE HIS 104 20.952 11.658 9.181 909 H GLN 105 H GLN 105 24.972 5.695 8.833 910 HA GLN 105 HA GLN 105 27.790 5.470 9.010 911 HB2 GLN 105 2HB GLN 105 26.093 3.648 9.454 912 HB3 GLN 105 1HB GLN 105 25.934 3.461 7.707 913 HG2 GLN 105 2HG GLN 105 28.368 3.010 7.549 914 HG3 GLN 105 1HG GLN 105 28.494 3.143 9.303 915 HE21 GLN 105 1HE2 GLN 105 27.540 1.423 10.611 916 HE22 GLN 105 2HE2 GLN 105 27.081 -0.059 9.923 917 H LYS 106 H LYS 106 25.657 5.389 6.155 918 HA LYS 106 HA LYS 106 27.905 5.086 4.309 919 HB2 LYS 106 2HB LYS 106 25.118 6.005 3.565 920 HB3 LYS 106 1HB LYS 106 26.273 5.104 2.583 921 HG2 LYS 106 2HG LYS 106 24.816 4.085 5.041 922 HG3 LYS 106 1HG LYS 106 24.533 3.590 3.372 923 HD2 LYS 106 2HD LYS 106 27.001 2.872 3.328 924 HD3 LYS 106 1HD LYS 106 26.976 3.064 5.081 925 HE2 LYS 106 2HE LYS 106 25.151 1.253 3.471 926 HE3 LYS 106 1HE LYS 106 26.506 0.730 4.472 927 HZ1 LYS 106 3HZ LYS 106 25.415 1.320 6.407 928 HZ2 LYS 106 1HZ LYS 106 24.154 0.691 5.463 929 HZ3 LYS 106 2HZ LYS 106 24.341 2.373 5.616 930 H SER 107 H SER 107 26.203 7.721 5.806 931 HA SER 107 HA SER 107 26.989 9.743 3.872 932 HB2 SER 107 2HB SER 107 26.034 9.928 6.742 933 HB3 SER 107 1HB SER 107 26.346 11.332 5.725 934 HG SER 107 HG SER 107 24.168 10.736 5.600 Start of MODEL 10 1 H1 LYS 1 1HT LYS 1 0.298 8.049 0.570 2 H2 LYS 1 2HT LYS 1 0.958 8.292 2.117 3 H3 LYS 1 3HT LYS 1 -0.031 9.482 1.415 4 HA LYS 1 HA LYS 1 -0.870 6.776 2.294 5 HB2 LYS 1 2HB LYS 1 -0.461 8.738 3.969 6 HB3 LYS 1 1HB LYS 1 -1.910 9.446 3.266 7 HG2 LYS 1 2HG LYS 1 -2.819 8.234 5.054 8 HG3 LYS 1 1HG LYS 1 -2.975 7.072 3.743 9 HD2 LYS 1 2HD LYS 1 -0.958 5.911 4.466 10 HD3 LYS 1 1HD LYS 1 -0.640 7.146 5.683 11 HE2 LYS 1 2HE LYS 1 -3.055 5.316 5.607 12 HE3 LYS 1 1HE LYS 1 -1.688 5.178 6.714 13 HZ1 LYS 1 2HZ LYS 1 -2.561 7.794 6.882 14 HZ2 LYS 1 3HZ LYS 1 -2.746 6.572 8.049 15 HZ3 LYS 1 1HZ LYS 1 -3.968 6.841 6.905 16 H VAL 2 H VAL 2 -3.231 6.473 2.045 17 HA VAL 2 HA VAL 2 -4.153 7.533 -0.554 18 HB VAL 2 HB VAL 2 -4.342 5.109 0.052 19 HG11 VAL 2 1HG1 VAL 2 -6.576 5.947 1.911 20 HG12 VAL 2 2HG1 VAL 2 -4.934 5.667 2.493 21 HG13 VAL 2 3HG1 VAL 2 -5.835 4.357 1.736 22 HG21 VAL 2 3HG2 VAL 2 -5.899 6.328 -1.585 23 HG22 VAL 2 1HG2 VAL 2 -7.090 6.337 -0.285 24 HG23 VAL 2 2HG2 VAL 2 -6.497 4.808 -0.926 25 H LYS 3 H LYS 3 -6.547 8.216 -0.640 26 HA LYS 3 HA LYS 3 -6.964 10.547 0.864 27 HB2 LYS 3 2HB LYS 3 -8.968 8.722 -0.486 28 HB3 LYS 3 1HB LYS 3 -9.379 10.308 0.167 29 HG2 LYS 3 2HG LYS 3 -7.694 11.354 -1.300 30 HG3 LYS 3 1HG LYS 3 -7.282 9.770 -1.957 31 HD2 LYS 3 2HD LYS 3 -9.630 9.510 -2.735 32 HD3 LYS 3 1HD LYS 3 -9.985 11.133 -2.143 33 HE2 LYS 3 2HE LYS 3 -9.470 11.081 -4.590 34 HE3 LYS 3 1HE LYS 3 -8.355 12.097 -3.675 35 HZ1 LYS 3 3HZ LYS 3 -7.269 10.579 -5.291 36 HZ2 LYS 3 1HZ LYS 3 -7.816 9.264 -4.371 37 HZ3 LYS 3 2HZ LYS 3 -6.730 10.381 -3.691 38 H PHE 4 H PHE 4 -8.432 7.316 1.455 39 HA PHE 4 HA PHE 4 -9.602 8.267 3.965 40 HB2 PHE 4 2HB PHE 4 -10.184 5.807 4.252 41 HB3 PHE 4 1HB PHE 4 -10.893 6.614 2.871 42 HD1 PHE 4 2HD PHE 4 -9.939 6.288 0.613 43 HD2 PHE 4 1HD PHE 4 -8.620 3.986 3.979 44 HE1 PHE 4 2HE PHE 4 -8.972 4.605 -0.934 45 HE2 PHE 4 1HE PHE 4 -7.658 2.303 2.440 46 HZ PHE 4 HZ PHE 4 -7.835 2.606 -0.017 47 H THR 5 H THR 5 -9.136 7.218 6.053 48 HA THR 5 HA THR 5 -6.219 7.033 6.463 49 HB THR 5 HB THR 5 -7.384 8.396 8.053 50 HG1 THR 5 1HG THR 5 -6.710 7.402 9.892 51 HG21 THR 5 3HG2 THR 5 -9.629 7.560 7.810 52 HG22 THR 5 1HG2 THR 5 -9.167 7.368 9.500 53 HG23 THR 5 2HG2 THR 5 -9.157 5.975 8.420 54 H GLU 6 H GLU 6 -5.348 5.332 7.810 55 HA GLU 6 HA GLU 6 -5.711 2.749 6.824 56 HB2 GLU 6 2HB GLU 6 -4.902 3.392 9.673 57 HB3 GLU 6 1HB GLU 6 -4.480 1.949 8.751 58 HG2 GLU 6 2HG GLU 6 -3.337 3.470 7.079 59 HG3 GLU 6 1HG GLU 6 -3.584 4.792 8.221 60 H GLU 7 H GLU 7 -7.315 4.216 9.661 61 HA GLU 7 HA GLU 7 -8.671 1.994 10.671 62 HB2 GLU 7 2HB GLU 7 -9.871 4.754 10.313 63 HB3 GLU 7 1HB GLU 7 -10.377 3.536 11.483 64 HG2 GLU 7 2HG GLU 7 -7.604 4.759 11.382 65 HG3 GLU 7 1HG GLU 7 -8.884 5.276 12.481 66 H GLU 8 H GLU 8 -9.500 3.938 7.811 67 HA GLU 8 HA GLU 8 -11.997 2.578 7.338 68 HB2 GLU 8 2HB GLU 8 -10.593 4.773 6.237 69 HB3 GLU 8 1HB GLU 8 -10.760 3.638 4.902 70 HG2 GLU 8 2HG GLU 8 -13.069 4.559 6.649 71 HG3 GLU 8 1HG GLU 8 -12.656 5.280 5.094 72 H ASP 9 H ASP 9 -8.678 2.178 6.095 73 HA ASP 9 HA ASP 9 -9.072 0.122 4.228 74 HB2 ASP 9 2HB ASP 9 -6.848 1.057 4.645 75 HB3 ASP 9 1HB ASP 9 -6.826 0.345 6.256 76 H LEU 10 H LEU 10 -9.398 0.007 7.696 77 HA LEU 10 HA LEU 10 -9.412 -2.915 7.853 78 HB2 LEU 10 2HB LEU 10 -10.742 -1.146 9.915 79 HB3 LEU 10 1HB LEU 10 -9.829 -2.636 10.152 80 HG LEU 10 HG LEU 10 -8.705 0.055 9.366 81 HD11 LEU 10 1HD1 LEU 10 -9.372 -0.214 11.747 82 HD12 LEU 10 2HD1 LEU 10 -7.634 0.005 11.540 83 HD13 LEU 10 3HD1 LEU 10 -8.289 -1.602 11.856 84 HD21 LEU 10 3HD2 LEU 10 -6.489 -1.161 9.696 85 HD22 LEU 10 1HD2 LEU 10 -7.386 -1.607 8.246 86 HD23 LEU 10 2HD2 LEU 10 -7.413 -2.663 9.656 87 H LYS 11 H LYS 11 -11.773 -0.287 7.606 88 HA LYS 11 HA LYS 11 -14.109 -1.960 7.806 89 HB2 LYS 11 2HB LYS 11 -13.625 0.751 6.539 90 HB3 LYS 11 1HB LYS 11 -15.211 -0.022 6.542 91 HG2 LYS 11 2HG LYS 11 -15.254 -0.077 8.962 92 HG3 LYS 11 1HG LYS 11 -13.587 0.486 9.048 93 HD2 LYS 11 2HD LYS 11 -15.047 2.373 9.483 94 HD3 LYS 11 1HD LYS 11 -14.296 2.605 7.908 95 HE2 LYS 11 2HE LYS 11 -16.286 2.059 6.747 96 HE3 LYS 11 1HE LYS 11 -17.003 1.282 8.159 97 HZ1 LYS 11 3HZ LYS 11 -18.016 3.387 7.919 98 HZ2 LYS 11 1HZ LYS 11 -16.524 4.175 7.740 99 HZ3 LYS 11 2HZ LYS 11 -16.957 3.510 9.242 100 H LEU 12 H LEU 12 -11.829 -1.301 5.256 101 HA LEU 12 HA LEU 12 -13.468 -2.169 3.050 102 HB2 LEU 12 2HB LEU 12 -10.549 -1.711 3.535 103 HB3 LEU 12 1HB LEU 12 -10.963 -2.739 2.170 104 HG LEU 12 HG LEU 12 -12.433 -0.942 1.292 105 HD11 LEU 12 1HD1 LEU 12 -12.264 1.311 2.305 106 HD12 LEU 12 2HD1 LEU 12 -11.291 0.643 3.611 107 HD13 LEU 12 3HD1 LEU 12 -12.974 0.154 3.430 108 HD21 LEU 12 3HD2 LEU 12 -10.549 0.653 0.744 109 HD22 LEU 12 1HD2 LEU 12 -10.165 -1.045 0.464 110 HD23 LEU 12 2HD2 LEU 12 -9.551 -0.226 1.901 111 H GLN 13 H GLN 13 -10.990 -3.853 5.036 112 HA GLN 13 HA GLN 13 -11.176 -6.373 3.816 113 HB2 GLN 13 2HB GLN 13 -9.570 -5.874 5.603 114 HB3 GLN 13 1HB GLN 13 -10.884 -5.727 6.766 115 HG2 GLN 13 2HG GLN 13 -11.445 -8.077 6.526 116 HG3 GLN 13 1HG GLN 13 -10.287 -8.262 5.208 117 HE21 GLN 13 1HE2 GLN 13 -9.971 -6.578 8.370 118 HE22 GLN 13 2HE2 GLN 13 -8.622 -7.471 8.883 119 H GLN 14 H GLN 14 -13.304 -4.974 6.317 120 HA GLN 14 HA GLN 14 -14.934 -7.406 6.464 121 HB2 GLN 14 2HB GLN 14 -15.658 -4.637 7.415 122 HB3 GLN 14 1HB GLN 14 -16.359 -6.168 7.939 123 HG2 GLN 14 2HG GLN 14 -13.455 -5.363 8.317 124 HG3 GLN 14 1HG GLN 14 -14.691 -5.314 9.574 125 HE21 GLN 14 1HE2 GLN 14 -15.754 -7.478 10.099 126 HE22 GLN 14 2HE2 GLN 14 -14.826 -8.889 9.931 127 H LEU 15 H LEU 15 -15.751 -4.085 5.328 128 HA LEU 15 HA LEU 15 -18.267 -4.765 4.244 129 HB2 LEU 15 2HB LEU 15 -16.309 -2.715 3.170 130 HB3 LEU 15 1HB LEU 15 -18.037 -2.753 2.838 131 HG LEU 15 HG LEU 15 -16.956 -2.576 5.666 132 HD11 LEU 15 1HD1 LEU 15 -17.348 -0.127 5.513 133 HD12 LEU 15 2HD1 LEU 15 -17.676 -0.303 3.788 134 HD13 LEU 15 3HD1 LEU 15 -16.069 -0.659 4.421 135 HD21 LEU 15 3HD2 LEU 15 -19.239 -1.465 5.983 136 HD22 LEU 15 1HD2 LEU 15 -19.281 -3.186 5.616 137 HD23 LEU 15 2HD2 LEU 15 -19.636 -2.007 4.355 138 H VAL 16 H VAL 16 -15.139 -4.565 2.573 139 HA VAL 16 HA VAL 16 -15.967 -5.463 0.050 140 HB VAL 16 HB VAL 16 -13.360 -6.174 1.413 141 HG11 VAL 16 1HG1 VAL 16 -12.537 -6.140 -0.951 142 HG12 VAL 16 2HG1 VAL 16 -14.202 -5.919 -1.479 143 HG13 VAL 16 3HG1 VAL 16 -13.731 -7.401 -0.647 144 HG21 VAL 16 3HG2 VAL 16 -13.760 -3.782 -0.397 145 HG22 VAL 16 1HG2 VAL 16 -12.503 -4.054 0.806 146 HG23 VAL 16 2HG2 VAL 16 -14.137 -3.629 1.307 147 H MET 17 H MET 17 -15.261 -7.344 3.008 148 HA MET 17 HA MET 17 -15.328 -9.919 1.806 149 HB2 MET 17 2HB MET 17 -14.794 -9.244 4.254 150 HB3 MET 17 1HB MET 17 -16.529 -9.302 4.521 151 HG2 MET 17 2HG MET 17 -14.924 -11.598 3.370 152 HG3 MET 17 1HG MET 17 -15.308 -11.430 5.079 153 HE1 MET 17 3HE MET 17 -15.906 -13.881 4.152 154 HE2 MET 17 1HE MET 17 -16.311 -13.678 2.441 155 HE3 MET 17 2HE MET 17 -17.511 -14.311 3.566 156 H ARG 18 H ARG 18 -17.915 -7.751 2.915 157 HA ARG 18 HA ARG 18 -20.062 -9.616 2.459 158 HB2 ARG 18 2HB ARG 18 -20.170 -7.457 3.815 159 HB3 ARG 18 1HB ARG 18 -20.222 -6.595 2.283 160 HG2 ARG 18 2HG ARG 18 -22.509 -6.820 2.766 161 HG3 ARG 18 1HG ARG 18 -22.230 -8.214 1.728 162 HD2 ARG 18 2HD ARG 18 -22.059 -9.684 3.667 163 HD3 ARG 18 1HD ARG 18 -22.143 -8.305 4.763 164 HE ARG 18 HE ARG 18 -24.468 -8.176 3.203 165 HH11 ARG 18 1HH2 ARG 18 -22.897 -10.372 5.349 166 HH12 ARG 18 2HH2 ARG 18 -24.372 -11.079 5.919 167 HH21 ARG 18 1HH1 ARG 18 -26.403 -9.088 3.936 168 HH22 ARG 18 2HH1 ARG 18 -26.357 -10.352 5.119 169 H TYR 19 H TYR 19 -18.227 -7.493 0.364 170 HA TYR 19 HA TYR 19 -20.102 -7.984 -1.911 171 HB2 TYR 19 2HB TYR 19 -17.682 -6.169 -1.681 172 HB3 TYR 19 1HB TYR 19 -18.781 -6.256 -3.058 173 HD1 TYR 19 1HD TYR 19 -21.308 -5.886 -2.582 174 HD2 TYR 19 2HD TYR 19 -18.183 -4.687 0.106 175 HE1 TYR 19 1HE TYR 19 -22.872 -4.332 -1.450 176 HE2 TYR 19 2HE TYR 19 -19.743 -3.135 1.234 177 HH TYR 19 HH TYR 19 -22.924 -2.470 -0.057 178 H GLY 20 H GLY 20 -17.354 -9.306 -0.517 179 HA2 GLY 20 2HA GLY 20 -16.239 -11.261 -1.319 180 HA3 GLY 20 1HA GLY 20 -16.783 -10.885 -2.955 181 H ALA 21 H ALA 21 -15.819 -8.875 -3.894 182 HA ALA 21 HA ALA 21 -13.728 -7.305 -3.294 183 HB1 ALA 21 1HB ALA 21 -11.662 -8.780 -4.058 184 HB2 ALA 21 2HB ALA 21 -12.682 -10.120 -3.540 185 HB3 ALA 21 3HB ALA 21 -12.219 -8.866 -2.391 186 H LYS 22 H LYS 22 -15.761 -7.800 -5.329 187 HA LYS 22 HA LYS 22 -14.092 -7.212 -7.730 188 HB2 LYS 22 2HB LYS 22 -15.571 -8.752 -9.086 189 HB3 LYS 22 1HB LYS 22 -14.468 -9.565 -7.977 190 HG2 LYS 22 2HG LYS 22 -16.211 -9.986 -6.393 191 HG3 LYS 22 1HG LYS 22 -17.321 -8.894 -7.217 192 HD2 LYS 22 2HD LYS 22 -17.914 -11.195 -7.764 193 HD3 LYS 22 1HD LYS 22 -17.279 -10.402 -9.204 194 HE2 LYS 22 2HE LYS 22 -15.200 -11.537 -9.048 195 HE3 LYS 22 1HE LYS 22 -15.491 -12.019 -7.376 196 HZ1 LYS 22 3HZ LYS 22 -15.873 -13.674 -9.345 197 HZ2 LYS 22 1HZ LYS 22 -17.379 -12.901 -9.435 198 HZ3 LYS 22 2HZ LYS 22 -16.906 -13.671 -7.996 199 H ASP 23 H ASP 23 -16.719 -6.417 -5.804 200 HA ASP 23 HA ASP 23 -18.141 -5.011 -8.047 201 HB2 ASP 23 2HB ASP 23 -19.170 -5.446 -5.233 202 HB3 ASP 23 1HB ASP 23 -20.087 -4.976 -6.664 203 H TRP 24 H TRP 24 -15.751 -3.919 -7.268 204 HA TRP 24 HA TRP 24 -15.915 -2.060 -5.101 205 HB2 TRP 24 2HB TRP 24 -14.252 -1.926 -7.633 206 HB3 TRP 24 1HB TRP 24 -13.977 -0.971 -6.173 207 HD1 TRP 24 HD TRP 24 -13.544 -4.452 -7.602 208 HE1 TRP 24 1HE TRP 24 -12.233 -5.891 -5.907 209 HE3 TRP 24 3HE TRP 24 -13.553 -1.294 -3.627 210 HZ2 TRP 24 2HZ TRP 24 -11.323 -5.707 -3.183 211 HZ3 TRP 24 3HZ TRP 24 -12.464 -1.922 -1.499 212 HH2 TRP 24 HH TRP 24 -11.354 -4.120 -1.263 213 H ILE 25 H ILE 25 -17.457 -2.101 -8.128 214 HA ILE 25 HA ILE 25 -17.680 0.766 -8.508 215 HB ILE 25 HB ILE 25 -19.690 0.023 -9.969 216 HG12 ILE 25 2HG1 ILE 25 -18.462 -2.710 -9.498 217 HG13 ILE 25 1HG1 ILE 25 -19.939 -2.168 -8.701 218 HG21 ILE 25 1HG2 ILE 25 -18.181 -0.888 -11.721 219 HG22 ILE 25 2HG2 ILE 25 -16.922 -1.100 -10.504 220 HG23 ILE 25 3HG2 ILE 25 -17.484 0.520 -10.918 221 HD11 ILE 25 3HD1 ILE 25 -20.498 -3.450 -10.714 222 HD12 ILE 25 1HD1 ILE 25 -19.506 -2.370 -11.693 223 HD13 ILE 25 2HD1 ILE 25 -20.970 -1.763 -10.921 224 H ARG 26 H ARG 26 -19.432 -1.734 -6.785 225 HA ARG 26 HA ARG 26 -21.660 0.005 -6.074 226 HB2 ARG 26 2HB ARG 26 -21.832 -2.504 -6.262 227 HB3 ARG 26 1HB ARG 26 -20.829 -2.623 -4.816 228 HG2 ARG 26 2HG ARG 26 -22.498 -1.275 -3.568 229 HG3 ARG 26 1HG ARG 26 -23.513 -1.223 -5.009 230 HD2 ARG 26 2HD ARG 26 -22.600 -3.819 -3.751 231 HD3 ARG 26 1HD ARG 26 -24.112 -3.027 -3.312 232 HE ARG 26 HE ARG 26 -24.173 -3.213 -6.100 233 HH11 ARG 26 1HH2 ARG 26 -23.824 -5.321 -3.392 234 HH12 ARG 26 2HH2 ARG 26 -24.575 -6.670 -4.178 235 HH21 ARG 26 1HH1 ARG 26 -25.155 -4.963 -7.139 236 HH22 ARG 26 2HH1 ARG 26 -25.328 -6.467 -6.299 237 H ILE 27 H ILE 27 -18.847 -1.402 -4.403 238 HA ILE 27 HA ILE 27 -19.276 -0.156 -1.905 239 HB ILE 27 HB ILE 27 -16.564 -0.654 -3.164 240 HG12 ILE 27 2HG1 ILE 27 -18.344 -2.586 -1.646 241 HG13 ILE 27 1HG1 ILE 27 -18.033 -2.655 -3.378 242 HG21 ILE 27 1HG2 ILE 27 -15.835 -0.925 -0.866 243 HG22 ILE 27 2HG2 ILE 27 -17.492 -0.788 -0.281 244 HG23 ILE 27 3HG2 ILE 27 -16.690 0.610 -0.995 245 HD11 ILE 27 3HD1 ILE 27 -16.036 -3.027 -1.136 246 HD12 ILE 27 1HD1 ILE 27 -15.562 -2.806 -2.820 247 HD13 ILE 27 2HD1 ILE 27 -16.521 -4.209 -2.350 248 H SER 28 H SER 28 -17.867 1.037 -4.895 249 HA SER 28 HA SER 28 -16.851 3.499 -3.733 250 HB2 SER 28 2HB SER 28 -17.418 2.692 -6.596 251 HB3 SER 28 1HB SER 28 -16.659 4.213 -6.135 252 HG SER 28 HG SER 28 -14.962 3.075 -5.264 253 H GLN 29 H GLN 29 -19.914 2.439 -5.072 254 HA GLN 29 HA GLN 29 -21.020 5.061 -5.529 255 HB2 GLN 29 2HB GLN 29 -22.252 2.350 -5.000 256 HB3 GLN 29 1HB GLN 29 -23.264 3.783 -5.134 257 HG2 GLN 29 2HG GLN 29 -21.212 3.174 -7.270 258 HG3 GLN 29 1HG GLN 29 -22.779 2.370 -7.294 259 HE21 GLN 29 1HE2 GLN 29 -24.736 3.852 -7.356 260 HE22 GLN 29 2HE2 GLN 29 -24.581 5.374 -8.093 261 H LEU 30 H LEU 30 -20.761 3.001 -2.672 262 HA LEU 30 HA LEU 30 -22.431 4.638 -0.979 263 HB2 LEU 30 2HB LEU 30 -20.076 3.006 0.009 264 HB3 LEU 30 1HB LEU 30 -21.603 3.336 0.828 265 HG LEU 30 HG LEU 30 -21.212 1.588 -1.618 266 HD11 LEU 30 1HD1 LEU 30 -20.497 0.570 0.509 267 HD12 LEU 30 2HD1 LEU 30 -21.962 -0.206 -0.096 268 HD13 LEU 30 3HD1 LEU 30 -22.061 0.959 1.225 269 HD21 LEU 30 3HD2 LEU 30 -23.701 2.512 -0.154 270 HD22 LEU 30 1HD2 LEU 30 -23.686 1.073 -1.176 271 HD23 LEU 30 2HD2 LEU 30 -23.342 2.654 -1.876 272 H MET 31 H MET 31 -18.964 4.514 -1.680 273 HA MET 31 HA MET 31 -18.622 7.215 -0.388 274 HB2 MET 31 2HB MET 31 -16.488 5.111 -0.851 275 HB3 MET 31 1HB MET 31 -16.334 6.603 0.080 276 HG2 MET 31 2HG MET 31 -18.022 5.783 1.682 277 HG3 MET 31 1HG MET 31 -18.179 4.291 0.754 278 HE1 MET 31 3HE MET 31 -17.415 2.510 2.634 279 HE2 MET 31 1HE MET 31 -17.868 3.988 3.494 280 HE3 MET 31 2HE MET 31 -16.405 3.117 3.943 281 H ILE 32 H ILE 32 -19.537 7.619 -2.769 282 HA ILE 32 HA ILE 32 -18.024 7.256 -5.092 283 HB ILE 32 HB ILE 32 -19.022 9.461 -5.845 284 HG12 ILE 32 2HG1 ILE 32 -20.178 9.407 -3.038 285 HG13 ILE 32 1HG1 ILE 32 -18.951 10.539 -3.603 286 HG21 ILE 32 1HG2 ILE 32 -20.964 7.603 -4.439 287 HG22 ILE 32 2HG2 ILE 32 -20.212 7.248 -5.993 288 HG23 ILE 32 3HG2 ILE 32 -21.301 8.624 -5.836 289 HD11 ILE 32 3HD1 ILE 32 -20.570 11.245 -5.413 290 HD12 ILE 32 1HD1 ILE 32 -21.079 11.654 -3.775 291 HD13 ILE 32 2HD1 ILE 32 -21.796 10.271 -4.601 292 H THR 33 H THR 33 -17.168 9.066 -2.311 293 HA THR 33 HA THR 33 -15.461 11.024 -3.539 294 HB THR 33 HB THR 33 -14.390 11.124 -1.266 295 HG1 THR 33 1HG THR 33 -16.350 9.328 -0.398 296 HG21 THR 33 3HG2 THR 33 -17.419 11.056 -1.222 297 HG22 THR 33 1HG2 THR 33 -16.458 12.398 -1.845 298 HG23 THR 33 2HG2 THR 33 -16.373 11.970 -0.135 299 H ARG 34 H ARG 34 -15.187 7.636 -3.220 300 HA ARG 34 HA ARG 34 -12.234 7.744 -3.810 301 HB2 ARG 34 2HB ARG 34 -13.847 6.082 -1.954 302 HB3 ARG 34 1HB ARG 34 -12.776 5.126 -2.970 303 HG2 ARG 34 2HG ARG 34 -11.587 5.677 -0.953 304 HG3 ARG 34 1HG ARG 34 -10.880 6.628 -2.257 305 HD2 ARG 34 2HD ARG 34 -11.233 8.038 -0.270 306 HD3 ARG 34 1HD ARG 34 -12.279 8.563 -1.584 307 HE ARG 34 HE ARG 34 -13.858 6.779 -0.180 308 HH11 ARG 34 1HH2 ARG 34 -11.966 9.559 0.582 309 HH12 ARG 34 2HH2 ARG 34 -12.977 10.051 1.899 310 HH21 ARG 34 1HH1 ARG 34 -15.189 7.405 1.536 311 HH22 ARG 34 2HH1 ARG 34 -14.802 8.832 2.440 312 H ASN 35 H ASN 35 -11.509 6.421 -5.518 313 HA ASN 35 HA ASN 35 -13.612 5.677 -7.456 314 HB2 ASN 35 2HB ASN 35 -10.622 5.538 -7.875 315 HB3 ASN 35 1HB ASN 35 -11.882 5.653 -9.102 316 HD21 ASN 35 1HD2 ASN 35 -11.998 7.722 -9.963 317 HD22 ASN 35 2HD2 ASN 35 -11.712 9.158 -9.104 318 HA PRO 36 HA PRO 36 -13.623 1.300 -6.695 319 HB2 PRO 36 2HB PRO 36 -12.714 1.040 -9.566 320 HB3 PRO 36 1HB PRO 36 -13.981 0.140 -8.709 321 HG2 PRO 36 2HG PRO 36 -14.609 2.124 -10.365 322 HG3 PRO 36 1HG PRO 36 -15.503 1.878 -8.852 323 HD2 PRO 36 2HD PRO 36 -13.531 4.019 -9.532 324 HD3 PRO 36 1HD PRO 36 -14.881 4.046 -8.375 325 H ARG 37 H ARG 37 -10.895 2.609 -8.538 326 HA ARG 37 HA ARG 37 -9.057 0.475 -7.858 327 HB2 ARG 37 2HB ARG 37 -8.567 3.279 -8.894 328 HB3 ARG 37 1HB ARG 37 -7.337 2.019 -8.780 329 HG2 ARG 37 2HG ARG 37 -8.619 0.591 -10.302 330 HG3 ARG 37 1HG ARG 37 -9.906 1.794 -10.376 331 HD2 ARG 37 2HD ARG 37 -8.460 3.385 -11.461 332 HD3 ARG 37 1HD ARG 37 -7.045 2.368 -11.189 333 HE ARG 37 HE ARG 37 -8.772 0.773 -12.679 334 HH11 ARG 37 1HH2 ARG 37 -7.329 3.893 -12.953 335 HH12 ARG 37 2HH2 ARG 37 -7.258 3.855 -14.683 336 HH21 ARG 37 1HH1 ARG 37 -8.688 0.706 -14.937 337 HH22 ARG 37 2HH1 ARG 37 -8.027 2.052 -15.806 338 H GLN 38 H GLN 38 -9.974 3.504 -6.327 339 HA GLN 38 HA GLN 38 -7.654 3.786 -4.665 340 HB2 GLN 38 2HB GLN 38 -10.504 4.753 -4.379 341 HB3 GLN 38 1HB GLN 38 -9.243 5.169 -3.221 342 HG2 GLN 38 2HG GLN 38 -8.961 5.667 -6.195 343 HG3 GLN 38 1HG GLN 38 -9.612 6.870 -5.082 344 HE21 GLN 38 1HE2 GLN 38 -8.136 7.745 -3.424 345 HE22 GLN 38 2HE2 GLN 38 -6.453 7.603 -3.603 346 H CYS 39 H CYS 39 -10.769 2.116 -4.089 347 HA CYS 39 HA CYS 39 -9.777 1.245 -1.427 348 HB2 CYS 39 2HB CYS 39 -12.348 0.546 -2.839 349 HB3 CYS 39 1HB CYS 39 -11.978 0.337 -1.128 350 HG CYS 39 HG CYS 39 -12.924 2.617 -0.875 351 H ARG 40 H ARG 40 -10.384 -0.057 -4.658 352 HA ARG 40 HA ARG 40 -10.120 -2.828 -3.927 353 HB2 ARG 40 2HB ARG 40 -11.040 -2.294 -6.100 354 HB3 ARG 40 1HB ARG 40 -9.588 -1.403 -6.547 355 HG2 ARG 40 2HG ARG 40 -8.273 -3.381 -6.687 356 HG3 ARG 40 1HG ARG 40 -9.470 -4.339 -5.817 357 HD2 ARG 40 2HD ARG 40 -10.915 -4.431 -7.671 358 HD3 ARG 40 1HD ARG 40 -10.152 -3.051 -8.457 359 HE ARG 40 HE ARG 40 -8.210 -5.114 -8.212 360 HH11 ARG 40 1HH2 ARG 40 -11.181 -4.364 -9.794 361 HH12 ARG 40 2HH2 ARG 40 -10.841 -5.341 -11.184 362 HH21 ARG 40 1HH1 ARG 40 -7.750 -6.393 -10.018 363 HH22 ARG 40 2HH1 ARG 40 -8.899 -6.489 -11.310 364 H GLU 41 H GLU 41 -7.764 -0.518 -5.278 365 HA GLU 41 HA GLU 41 -5.490 -2.135 -5.324 366 HB2 GLU 41 2HB GLU 41 -4.158 -0.124 -5.089 367 HB3 GLU 41 1HB GLU 41 -5.591 0.278 -6.035 368 HG2 GLU 41 2HG GLU 41 -6.667 0.995 -3.824 369 HG3 GLU 41 1HG GLU 41 -5.057 0.892 -3.120 370 H ARG 42 H ARG 42 -7.194 -0.839 -2.544 371 HA ARG 42 HA ARG 42 -5.090 -1.347 -0.631 372 HB2 ARG 42 2HB ARG 42 -7.628 -0.179 -0.560 373 HB3 ARG 42 1HB ARG 42 -7.866 -1.639 0.385 374 HG2 ARG 42 2HG ARG 42 -7.197 0.091 1.908 375 HG3 ARG 42 1HG ARG 42 -5.837 -1.001 1.744 376 HD2 ARG 42 2HD ARG 42 -5.867 1.302 -0.164 377 HD3 ARG 42 1HD ARG 42 -5.570 1.695 1.526 378 HE ARG 42 HE ARG 42 -3.914 -0.511 0.791 379 HH11 ARG 42 1HH2 ARG 42 -4.407 2.859 0.251 380 HH12 ARG 42 2HH2 ARG 42 -2.737 3.187 -0.071 381 HH21 ARG 42 1HH1 ARG 42 -1.731 -0.102 0.374 382 HH22 ARG 42 2HH1 ARG 42 -1.222 1.511 -0.002 383 H TRP 43 H TRP 43 -7.903 -3.253 -1.696 384 HA TRP 43 HA TRP 43 -7.719 -5.542 -0.128 385 HB2 TRP 43 2HB TRP 43 -9.365 -5.097 -1.970 386 HB3 TRP 43 1HB TRP 43 -8.112 -5.487 -3.134 387 HD1 TRP 43 HD TRP 43 -7.713 -7.958 -3.683 388 HE1 TRP 43 1HE TRP 43 -8.729 -10.181 -2.863 389 HE3 TRP 43 3HE TRP 43 -10.430 -6.278 0.302 390 HZ2 TRP 43 2HZ TRP 43 -10.447 -11.126 -0.786 391 HZ3 TRP 43 3HZ TRP 43 -11.737 -7.865 1.688 392 HH2 TRP 43 HH TRP 43 -11.754 -10.282 1.145 393 H ASN 44 H ASN 44 -5.991 -5.160 -3.246 394 HA ASN 44 HA ASN 44 -4.357 -7.503 -2.713 395 HB2 ASN 44 2HB ASN 44 -3.079 -6.537 -4.784 396 HB3 ASN 44 1HB ASN 44 -4.733 -7.106 -5.002 397 HD21 ASN 44 1HD2 ASN 44 -6.293 -5.591 -5.700 398 HD22 ASN 44 2HD2 ASN 44 -5.983 -3.932 -5.883 399 H ASN 45 H ASN 45 -3.803 -3.992 -2.439 400 HA ASN 45 HA ASN 45 -0.981 -4.467 -1.649 401 HB2 ASN 45 2HB ASN 45 -2.529 -1.861 -1.711 402 HB3 ASN 45 1HB ASN 45 -0.778 -2.060 -1.650 403 HD21 ASN 45 1HD2 ASN 45 -2.555 -0.796 -3.793 404 HD22 ASN 45 2HD2 ASN 45 -2.126 -1.598 -5.227 405 H TYR 46 H TYR 46 -3.542 -5.160 0.080 406 HA TYR 46 HA TYR 46 -2.257 -4.252 2.581 407 HB2 TYR 46 2HB TYR 46 -4.201 -2.646 1.595 408 HB3 TYR 46 1HB TYR 46 -5.201 -3.747 2.536 409 HD1 TYR 46 1HD TYR 46 -3.773 -4.406 4.882 410 HD2 TYR 46 2HD TYR 46 -3.732 -0.661 2.781 411 HE1 TYR 46 1HE TYR 46 -3.117 -3.243 6.970 412 HE2 TYR 46 2HE TYR 46 -3.078 0.502 4.869 413 HH TYR 46 HH TYR 46 -1.908 -1.083 7.565 414 H ILE 47 H ILE 47 -5.228 -5.929 1.386 415 HA ILE 47 HA ILE 47 -4.372 -8.269 2.976 416 HB ILE 47 HB ILE 47 -6.158 -8.430 4.447 417 HG12 ILE 47 2HG1 ILE 47 -8.019 -8.246 2.786 418 HG13 ILE 47 1HG1 ILE 47 -8.324 -7.364 4.261 419 HG21 ILE 47 1HG2 ILE 47 -5.871 -5.440 4.049 420 HG22 ILE 47 2HG2 ILE 47 -4.893 -6.468 5.093 421 HG23 ILE 47 3HG2 ILE 47 -6.597 -6.212 5.455 422 HD11 ILE 47 3HD1 ILE 47 -7.032 -5.839 2.051 423 HD12 ILE 47 1HD1 ILE 47 -8.181 -5.306 3.269 424 HD13 ILE 47 2HD1 ILE 47 -8.731 -6.241 1.887 425 H ASN 48 H ASN 48 -4.492 -9.932 1.740 426 HA ASN 48 HA ASN 48 -6.770 -10.886 0.379 427 HB2 ASN 48 2HB ASN 48 -6.716 -9.856 -1.655 428 HB3 ASN 48 1HB ASN 48 -5.366 -8.897 -1.113 429 HD21 ASN 48 1HD2 ASN 48 -3.449 -9.161 -2.269 430 HD22 ASN 48 2HD2 ASN 48 -3.101 -10.487 -3.270 431 HA PRO 49 HA PRO 49 -3.107 -13.770 -0.261 432 HB2 PRO 49 2HB PRO 49 -0.590 -12.826 -0.574 433 HB3 PRO 49 1HB PRO 49 -1.822 -12.613 -1.834 434 HG2 PRO 49 2HG PRO 49 -0.630 -10.590 -0.062 435 HG3 PRO 49 1HG PRO 49 -1.531 -10.363 -1.566 436 HD2 PRO 49 2HD PRO 49 -2.538 -10.233 1.213 437 HD3 PRO 49 1HD PRO 49 -3.327 -9.697 -0.277 438 H ALA 50 H ALA 50 -2.891 -11.585 2.349 439 HA ALA 50 HA ALA 50 -2.236 -11.920 4.576 440 HB1 ALA 50 1HB ALA 50 -2.052 -14.102 5.395 441 HB2 ALA 50 2HB ALA 50 -1.173 -14.682 3.982 442 HB3 ALA 50 3HB ALA 50 -2.912 -14.411 3.890 443 H LEU 51 H LEU 51 -0.645 -10.431 3.221 444 HA LEU 51 HA LEU 51 2.106 -11.501 3.093 445 HB2 LEU 51 2HB LEU 51 2.491 -8.946 2.416 446 HB3 LEU 51 1HB LEU 51 1.786 -10.080 1.271 447 HG LEU 51 HG LEU 51 -0.473 -9.323 1.876 448 HD11 LEU 51 1HD1 LEU 51 -0.250 -8.731 4.180 449 HD12 LEU 51 2HD1 LEU 51 -0.632 -7.237 3.327 450 HD13 LEU 51 3HD1 LEU 51 1.028 -7.569 3.823 451 HD21 LEU 51 3HD2 LEU 51 1.215 -6.883 1.383 452 HD22 LEU 51 1HD2 LEU 51 -0.398 -7.231 0.768 453 HD23 LEU 51 2HD2 LEU 51 0.991 -8.118 0.146 454 H ARG 52 H ARG 52 0.721 -11.243 5.699 455 HA ARG 52 HA ARG 52 1.589 -8.994 7.182 456 HB2 ARG 52 2HB ARG 52 1.233 -11.884 8.024 457 HB3 ARG 52 1HB ARG 52 1.530 -10.568 9.159 458 HG2 ARG 52 2HG ARG 52 -0.501 -9.423 8.406 459 HG3 ARG 52 1HG ARG 52 -0.786 -10.683 7.204 460 HD2 ARG 52 2HD ARG 52 -2.139 -10.985 9.295 461 HD3 ARG 52 1HD ARG 52 -1.082 -12.352 8.943 462 HE ARG 52 HE ARG 52 0.389 -10.642 10.622 463 HH11 ARG 52 1HH2 ARG 52 -2.557 -12.433 10.648 464 HH12 ARG 52 2HH2 ARG 52 -2.527 -12.712 12.357 465 HH21 ARG 52 1HH1 ARG 52 0.445 -10.996 12.853 466 HH22 ARG 52 2HH1 ARG 52 -0.828 -11.899 13.605 467 H THR 53 H THR 53 3.466 -11.250 5.550 468 HA THR 53 HA THR 53 5.923 -10.230 6.797 469 HB THR 53 HB THR 53 5.415 -13.218 6.816 470 HG1 THR 53 1HG THR 53 4.571 -12.981 8.713 471 HG21 THR 53 3HG2 THR 53 7.764 -12.587 6.674 472 HG22 THR 53 1HG2 THR 53 7.422 -13.181 8.298 473 HG23 THR 53 2HG2 THR 53 7.568 -11.449 8.006 474 H ASP 54 H ASP 54 5.636 -9.529 4.406 475 HA ASP 54 HA ASP 54 6.984 -11.539 2.615 476 HB2 ASP 54 2HB ASP 54 4.579 -11.157 2.010 477 HB3 ASP 54 1HB ASP 54 4.955 -9.448 1.782 478 HA PRO 55 HA PRO 55 9.202 -7.368 3.102 479 HB2 PRO 55 2HB PRO 55 11.603 -8.383 4.007 480 HB3 PRO 55 1HB PRO 55 10.270 -7.921 5.089 481 HG2 PRO 55 2HG PRO 55 10.978 -10.629 4.023 482 HG3 PRO 55 1HG PRO 55 10.586 -10.149 5.687 483 HD2 PRO 55 2HD PRO 55 8.728 -11.310 4.130 484 HD3 PRO 55 1HD PRO 55 8.277 -9.989 5.235 485 H TRP 56 H TRP 56 10.312 -6.592 1.391 486 HA TRP 56 HA TRP 56 11.059 -8.408 -0.782 487 HB2 TRP 56 2HB TRP 56 11.880 -5.999 -1.714 488 HB3 TRP 56 1HB TRP 56 10.207 -6.521 -1.781 489 HD1 TRP 56 HD TRP 56 8.566 -5.597 0.161 490 HE1 TRP 56 1HE TRP 56 8.584 -3.353 1.423 491 HE3 TRP 56 3HE TRP 56 13.385 -4.198 -0.706 492 HZ2 TRP 56 2HZ TRP 56 10.439 -1.221 1.970 493 HZ3 TRP 56 3HZ TRP 56 14.248 -2.064 0.176 494 HH2 TRP 56 HH TRP 56 12.792 -0.575 1.522 495 H SER 57 H SER 57 13.337 -7.110 -1.843 496 HA SER 57 HA SER 57 15.430 -7.459 0.270 497 HB2 SER 57 2HB SER 57 16.256 -9.365 -0.709 498 HB3 SER 57 1HB SER 57 14.748 -9.427 -1.607 499 HG SER 57 HG SER 57 16.245 -9.382 -3.162 500 HA PRO 58 HA PRO 58 17.912 -4.238 -1.482 501 HB2 PRO 58 2HB PRO 58 19.690 -6.278 -2.812 502 HB3 PRO 58 1HB PRO 58 20.146 -4.836 -1.874 503 HG2 PRO 58 2HG PRO 58 20.263 -7.197 -0.730 504 HG3 PRO 58 1HG PRO 58 19.561 -5.830 0.162 505 HD2 PRO 58 2HD PRO 58 18.156 -8.122 -1.177 506 HD3 PRO 58 1HD PRO 58 17.753 -7.299 0.347 507 H GLU 59 H GLU 59 16.586 -6.593 -3.577 508 HA GLU 59 HA GLU 59 17.260 -5.380 -6.099 509 HB2 GLU 59 2HB GLU 59 15.041 -7.296 -5.310 510 HB3 GLU 59 1HB GLU 59 15.405 -6.826 -6.972 511 HG2 GLU 59 2HG GLU 59 17.671 -7.736 -6.760 512 HG3 GLU 59 1HG GLU 59 17.361 -8.159 -5.075 513 H GLU 60 H GLU 60 14.481 -5.219 -3.858 514 HA GLU 60 HA GLU 60 13.173 -3.216 -5.600 515 HB2 GLU 60 2HB GLU 60 12.381 -3.987 -2.789 516 HB3 GLU 60 1HB GLU 60 11.373 -3.275 -4.040 517 HG2 GLU 60 2HG GLU 60 12.591 -6.050 -4.093 518 HG3 GLU 60 1HG GLU 60 10.886 -5.663 -3.867 519 H ASP 61 H ASP 61 15.257 -3.360 -2.784 520 HA ASP 61 HA ASP 61 14.798 -0.708 -1.810 521 HB2 ASP 61 2HB ASP 61 16.249 -2.708 -0.824 522 HB3 ASP 61 1HB ASP 61 17.554 -1.945 -1.724 523 H MET 62 H MET 62 17.417 -1.933 -3.917 524 HA MET 62 HA MET 62 18.451 0.614 -4.623 525 HB2 MET 62 2HB MET 62 18.477 -2.019 -6.125 526 HB3 MET 62 1HB MET 62 19.404 -0.601 -6.614 527 HG2 MET 62 2HG MET 62 20.638 -0.610 -4.529 528 HG3 MET 62 1HG MET 62 19.620 -1.899 -3.886 529 HE1 MET 62 3HE MET 62 21.945 -3.152 -3.299 530 HE2 MET 62 1HE MET 62 22.759 -1.758 -4.022 531 HE3 MET 62 2HE MET 62 23.220 -3.392 -4.490 532 H LEU 63 H LEU 63 15.896 -1.383 -6.107 533 HA LEU 63 HA LEU 63 15.499 0.545 -8.294 534 HB2 LEU 63 2HB LEU 63 14.116 -1.960 -7.360 535 HB3 LEU 63 1HB LEU 63 13.264 -0.894 -8.469 536 HG LEU 63 HG LEU 63 14.978 -1.112 -10.138 537 HD11 LEU 63 1HD1 LEU 63 16.961 -2.727 -9.593 538 HD12 LEU 63 2HD1 LEU 63 16.575 -2.379 -7.909 539 HD13 LEU 63 3HD1 LEU 63 17.039 -1.073 -8.993 540 HD21 LEU 63 3HD2 LEU 63 13.387 -2.968 -10.042 541 HD22 LEU 63 1HD2 LEU 63 14.390 -3.798 -8.853 542 HD23 LEU 63 2HD2 LEU 63 14.976 -3.580 -10.501 543 H LEU 64 H LEU 64 14.307 0.144 -5.046 544 HA LEU 64 HA LEU 64 11.966 1.842 -5.392 545 HB2 LEU 64 2HB LEU 64 11.938 0.298 -3.541 546 HB3 LEU 64 1HB LEU 64 13.487 0.887 -2.947 547 HG LEU 64 HG LEU 64 12.481 3.030 -2.341 548 HD11 LEU 64 1HD1 LEU 64 10.052 1.863 -3.725 549 HD12 LEU 64 2HD1 LEU 64 10.845 3.408 -4.031 550 HD13 LEU 64 3HD1 LEU 64 9.911 3.177 -2.557 551 HD21 LEU 64 3HD2 LEU 64 10.607 0.847 -1.396 552 HD22 LEU 64 1HD2 LEU 64 11.150 2.272 -0.512 553 HD23 LEU 64 2HD2 LEU 64 12.277 0.959 -0.840 554 H ASP 65 H ASP 65 15.315 2.288 -4.272 555 HA ASP 65 HA ASP 65 15.203 4.949 -3.398 556 HB2 ASP 65 2HB ASP 65 17.239 3.434 -3.438 557 HB3 ASP 65 1HB ASP 65 17.410 3.832 -5.148 558 H GLN 66 H GLN 66 15.046 3.658 -6.652 559 HA GLN 66 HA GLN 66 15.337 6.262 -7.952 560 HB2 GLN 66 2HB GLN 66 14.417 3.560 -8.971 561 HB3 GLN 66 1HB GLN 66 14.607 4.985 -9.994 562 HG2 GLN 66 2HG GLN 66 16.989 5.138 -9.303 563 HG3 GLN 66 1HG GLN 66 16.788 3.667 -8.350 564 HE21 GLN 66 1HE2 GLN 66 18.413 4.274 -10.915 565 HE22 GLN 66 2HE2 GLN 66 17.955 3.038 -11.983 566 H LYS 67 H LYS 67 12.620 4.076 -7.188 567 HA LYS 67 HA LYS 67 10.642 5.850 -8.376 568 HB2 LYS 67 2HB LYS 67 10.373 3.547 -6.420 569 HB3 LYS 67 1HB LYS 67 9.008 4.379 -7.168 570 HG2 LYS 67 2HG LYS 67 9.734 3.717 -9.381 571 HG3 LYS 67 1HG LYS 67 11.232 3.045 -8.734 572 HD2 LYS 67 2HD LYS 67 9.872 1.428 -7.394 573 HD3 LYS 67 1HD LYS 67 8.424 2.040 -8.194 574 HE2 LYS 67 2HE LYS 67 9.383 1.412 -10.389 575 HE3 LYS 67 1HE LYS 67 10.806 0.766 -9.572 576 HZ1 LYS 67 3HZ LYS 67 9.483 -0.859 -8.484 577 HZ2 LYS 67 1HZ LYS 67 9.087 -0.917 -10.131 578 HZ3 LYS 67 2HZ LYS 67 8.038 -0.155 -9.033 579 H TYR 68 H TYR 68 11.422 5.018 -4.991 580 HA TYR 68 HA TYR 68 9.748 6.849 -3.688 581 HB2 TYR 68 2HB TYR 68 10.904 5.318 -2.298 582 HB3 TYR 68 1HB TYR 68 12.463 5.704 -3.019 583 HD1 TYR 68 1HD TYR 68 13.578 7.873 -2.515 584 HD2 TYR 68 2HD TYR 68 10.017 6.620 -0.466 585 HE1 TYR 68 1HE TYR 68 14.001 9.561 -0.754 586 HE2 TYR 68 2HE TYR 68 10.440 8.308 1.297 587 HH TYR 68 HH TYR 68 11.659 10.444 1.545 588 H ALA 69 H ALA 69 12.999 7.371 -5.025 589 HA ALA 69 HA ALA 69 13.457 10.008 -4.193 590 HB1 ALA 69 1HB ALA 69 14.709 10.208 -6.428 591 HB2 ALA 69 2HB ALA 69 14.148 8.570 -6.767 592 HB3 ALA 69 3HB ALA 69 15.195 8.875 -5.381 593 H GLU 70 H GLU 70 11.362 8.778 -6.737 594 HA GLU 70 HA GLU 70 10.608 11.511 -7.608 595 HB2 GLU 70 2HB GLU 70 9.949 8.720 -8.578 596 HB3 GLU 70 1HB GLU 70 9.157 10.156 -9.225 597 HG2 GLU 70 2HG GLU 70 11.350 11.086 -9.865 598 HG3 GLU 70 1HG GLU 70 12.148 9.655 -9.213 599 H TYR 71 H TYR 71 8.912 8.545 -6.526 600 HA TYR 71 HA TYR 71 6.464 9.999 -5.975 601 HB2 TYR 71 2HB TYR 71 7.331 7.193 -5.272 602 HB3 TYR 71 1HB TYR 71 5.701 7.821 -5.053 603 HD1 TYR 71 1HD TYR 71 4.347 8.538 -7.022 604 HD2 TYR 71 2HD TYR 71 8.141 6.571 -7.461 605 HE1 TYR 71 1HE TYR 71 3.813 8.036 -9.390 606 HE2 TYR 71 2HE TYR 71 7.606 6.070 -9.830 607 HH TYR 71 HH TYR 71 5.767 5.891 -11.299 608 H GLY 72 H GLY 72 9.010 8.596 -3.925 609 HA2 GLY 72 2HA GLY 72 9.708 9.573 -1.824 610 HA3 GLY 72 1HA GLY 72 8.176 10.438 -1.745 611 HA PRO 73 HA PRO 73 7.657 6.691 0.880 612 HB2 PRO 73 2HB PRO 73 6.308 7.808 2.958 613 HB3 PRO 73 1HB PRO 73 8.070 7.952 2.797 614 HG2 PRO 73 2HG PRO 73 5.945 9.948 2.137 615 HG3 PRO 73 1HG PRO 73 7.531 10.202 2.890 616 HD2 PRO 73 2HD PRO 73 6.994 10.662 0.200 617 HD3 PRO 73 1HD PRO 73 8.620 10.328 0.839 618 H LYS 74 H LYS 74 5.936 7.752 -1.371 619 HA LYS 74 HA LYS 74 3.176 7.334 -0.407 620 HB2 LYS 74 2HB LYS 74 4.438 7.874 -3.096 621 HB3 LYS 74 1HB LYS 74 2.725 7.490 -2.942 622 HG2 LYS 74 2HG LYS 74 2.363 9.413 -1.512 623 HG3 LYS 74 1HG LYS 74 4.095 9.743 -1.446 624 HD2 LYS 74 2HD LYS 74 4.125 10.193 -3.857 625 HD3 LYS 74 1HD LYS 74 2.406 9.809 -3.964 626 HE2 LYS 74 2HE LYS 74 2.773 12.253 -3.849 627 HE3 LYS 74 1HE LYS 74 1.883 11.671 -2.442 628 HZ1 LYS 74 3HZ LYS 74 4.672 11.519 -1.984 629 HZ2 LYS 74 1HZ LYS 74 3.492 12.370 -1.113 630 HZ3 LYS 74 2HZ LYS 74 4.247 13.095 -2.451 631 H TRP 75 H TRP 75 4.046 5.121 0.403 632 HA TRP 75 HA TRP 75 4.736 3.025 -1.318 633 HB2 TRP 75 2HB TRP 75 2.955 2.565 1.065 634 HB3 TRP 75 1HB TRP 75 4.297 1.583 0.487 635 HD1 TRP 75 HD TRP 75 3.535 3.786 3.188 636 HE1 TRP 75 1HE TRP 75 5.637 4.868 4.205 637 HE3 TRP 75 3HE TRP 75 6.919 2.873 -0.541 638 HZ2 TRP 75 2HZ TRP 75 8.372 5.308 3.535 639 HZ3 TRP 75 3HZ TRP 75 9.253 3.647 -0.322 640 HH2 TRP 75 HH TRP 75 9.990 4.861 1.708 641 H ASN 76 H ASN 76 1.919 4.785 -1.368 642 HA ASN 76 HA ASN 76 0.036 2.682 -2.041 643 HB2 ASN 76 2HB ASN 76 -0.729 4.884 -1.217 644 HB3 ASN 76 1HB ASN 76 -0.044 5.657 -2.648 645 HD21 ASN 76 1HD2 ASN 76 -0.887 4.519 -4.815 646 HD22 ASN 76 2HD2 ASN 76 -2.554 4.195 -4.850 647 H LYS 77 H LYS 77 2.244 4.786 -3.808 648 HA LYS 77 HA LYS 77 1.328 3.800 -6.433 649 HB2 LYS 77 2HB LYS 77 3.736 5.494 -5.707 650 HB3 LYS 77 1HB LYS 77 3.091 5.248 -7.325 651 HG2 LYS 77 2HG LYS 77 1.413 6.438 -5.098 652 HG3 LYS 77 1HG LYS 77 2.437 7.436 -6.125 653 HD2 LYS 77 2HD LYS 77 1.236 6.419 -8.129 654 HD3 LYS 77 1HD LYS 77 0.098 5.711 -6.983 655 HE2 LYS 77 2HE LYS 77 -0.371 7.993 -6.094 656 HE3 LYS 77 1HE LYS 77 0.686 8.662 -7.337 657 HZ1 LYS 77 3HZ LYS 77 -1.994 8.060 -7.580 658 HZ2 LYS 77 1HZ LYS 77 -1.188 6.865 -8.474 659 HZ3 LYS 77 2HZ LYS 77 -0.928 8.507 -8.824 660 H ILE 78 H ILE 78 4.022 3.380 -4.192 661 HA ILE 78 HA ILE 78 5.630 1.755 -5.928 662 HB ILE 78 HB ILE 78 5.571 1.556 -2.910 663 HG12 ILE 78 2HG1 ILE 78 5.560 3.921 -3.347 664 HG13 ILE 78 1HG1 ILE 78 7.219 3.474 -2.963 665 HG21 ILE 78 1HG2 ILE 78 7.905 1.502 -4.838 666 HG22 ILE 78 2HG2 ILE 78 7.049 0.050 -4.324 667 HG23 ILE 78 3HG2 ILE 78 7.903 1.035 -3.138 668 HD11 ILE 78 3HD1 ILE 78 6.026 4.109 -5.663 669 HD12 ILE 78 1HD1 ILE 78 7.551 3.234 -5.515 670 HD13 ILE 78 2HD1 ILE 78 7.405 4.867 -4.869 671 H SER 79 H SER 79 3.464 0.868 -3.220 672 HA SER 79 HA SER 79 3.620 -1.914 -3.429 673 HB2 SER 79 2HB SER 79 1.491 -2.018 -2.336 674 HB3 SER 79 1HB SER 79 2.297 -0.574 -1.734 675 HG SER 79 HG SER 79 0.713 -0.357 -4.027 676 H LYS 80 H LYS 80 2.128 0.269 -5.691 677 HA LYS 80 HA LYS 80 0.472 -1.772 -6.963 678 HB2 LYS 80 2HB LYS 80 1.334 1.016 -7.767 679 HB3 LYS 80 1HB LYS 80 0.357 -0.007 -8.820 680 HG2 LYS 80 2HG LYS 80 -1.373 -0.182 -7.098 681 HG3 LYS 80 1HG LYS 80 -0.388 0.767 -5.984 682 HD2 LYS 80 2HD LYS 80 -0.507 2.703 -7.467 683 HD3 LYS 80 1HD LYS 80 -1.392 1.761 -8.666 684 HE2 LYS 80 2HE LYS 80 -3.233 1.433 -7.058 685 HE3 LYS 80 1HE LYS 80 -2.350 2.371 -5.854 686 HZ1 LYS 80 3HZ LYS 80 -2.311 4.165 -7.670 687 HZ2 LYS 80 1HZ LYS 80 -3.751 3.920 -6.809 688 HZ3 LYS 80 2HZ LYS 80 -3.581 3.281 -8.374 689 H PHE 81 H PHE 81 3.780 -0.830 -7.079 690 HA PHE 81 HA PHE 81 4.232 -2.020 -9.747 691 HB2 PHE 81 2HB PHE 81 5.899 -0.552 -7.707 692 HB3 PHE 81 1HB PHE 81 6.715 -1.521 -8.932 693 HD1 PHE 81 1HD PHE 81 6.097 -1.110 -11.401 694 HD2 PHE 81 2HD PHE 81 5.124 1.633 -8.240 695 HE1 PHE 81 1HE PHE 81 5.800 0.704 -13.065 696 HE2 PHE 81 2HE PHE 81 4.827 3.446 -9.905 697 HZ PHE 81 HZ PHE 81 5.166 2.981 -12.317 698 H LEU 82 H LEU 82 4.072 -2.937 -6.488 699 HA LEU 82 HA LEU 82 5.796 -5.351 -6.839 700 HB2 LEU 82 2HB LEU 82 4.460 -3.995 -4.493 701 HB3 LEU 82 1HB LEU 82 5.110 -5.623 -4.348 702 HG LEU 82 HG LEU 82 7.342 -4.906 -4.750 703 HD11 LEU 82 1HD1 LEU 82 6.138 -2.300 -5.704 704 HD12 LEU 82 2HD1 LEU 82 7.096 -3.439 -6.643 705 HD13 LEU 82 3HD1 LEU 82 7.852 -2.498 -5.366 706 HD21 LEU 82 3HD2 LEU 82 6.694 -4.307 -2.518 707 HD22 LEU 82 1HD2 LEU 82 5.881 -2.847 -3.071 708 HD23 LEU 82 2HD2 LEU 82 7.636 -2.963 -3.144 709 H LYS 83 H LYS 83 2.511 -4.594 -5.645 710 HA LYS 83 HA LYS 83 0.514 -5.780 -5.778 711 HB2 LYS 83 2HB LYS 83 1.784 -7.358 -8.029 712 HB3 LYS 83 1HB LYS 83 0.076 -7.053 -7.748 713 HG2 LYS 83 2HG LYS 83 0.410 -4.657 -8.150 714 HG3 LYS 83 1HG LYS 83 2.129 -4.921 -8.410 715 HD2 LYS 83 2HD LYS 83 0.095 -6.422 -10.074 716 HD3 LYS 83 1HD LYS 83 0.541 -4.771 -10.497 717 HE2 LYS 83 2HE LYS 83 2.945 -5.476 -10.540 718 HE3 LYS 83 1HE LYS 83 2.427 -7.137 -10.262 719 HZ1 LYS 83 3HZ LYS 83 2.642 -6.924 -12.567 720 HZ2 LYS 83 1HZ LYS 83 1.870 -5.415 -12.599 721 HZ3 LYS 83 2HZ LYS 83 0.970 -6.822 -12.282 722 H ASN 84 H ASN 84 3.256 -6.812 -4.645 723 HA ASN 84 HA ASN 84 2.246 -9.534 -3.934 724 HB2 ASN 84 2HB ASN 84 5.070 -8.591 -4.468 725 HB3 ASN 84 1HB ASN 84 4.696 -10.130 -3.692 726 HD21 ASN 84 1HD2 ASN 84 3.204 -8.398 -6.492 727 HD22 ASN 84 2HD2 ASN 84 3.339 -9.708 -7.563 728 H ARG 85 H ARG 85 3.292 -6.448 -2.884 729 HA ARG 85 HA ARG 85 3.243 -7.388 -0.018 730 HB2 ARG 85 2HB ARG 85 5.029 -5.296 -1.274 731 HB3 ARG 85 1HB ARG 85 4.847 -5.528 0.453 732 HG2 ARG 85 2HG ARG 85 6.688 -6.901 0.146 733 HG3 ARG 85 1HG ARG 85 5.449 -8.086 -0.211 734 HD2 ARG 85 2HD ARG 85 5.673 -7.206 -2.674 735 HD3 ARG 85 1HD ARG 85 7.226 -6.584 -2.122 736 HE ARG 85 HE ARG 85 6.922 -9.349 -1.365 737 HH11 ARG 85 1HH2 ARG 85 7.518 -7.209 -4.004 738 HH12 ARG 85 2HH2 ARG 85 8.443 -8.365 -4.904 739 HH21 ARG 85 1HH1 ARG 85 8.125 -10.868 -2.526 740 HH22 ARG 85 2HH1 ARG 85 8.786 -10.436 -4.068 741 H SER 86 H SER 86 3.073 -5.189 1.334 742 HA SER 86 HA SER 86 0.846 -3.566 0.166 743 HB2 SER 86 2HB SER 86 -0.020 -3.595 2.609 744 HB3 SER 86 1HB SER 86 -0.263 -5.047 1.642 745 HG SER 86 HG SER 86 0.630 -5.435 3.753 746 H ASP 87 H ASP 87 0.582 -1.539 1.317 747 HA ASP 87 HA ASP 87 3.015 -0.101 1.551 748 HB2 ASP 87 2HB ASP 87 1.513 1.657 2.683 749 HB3 ASP 87 1HB ASP 87 1.046 1.159 1.055 750 H ASN 88 H ASN 88 1.037 -1.792 3.878 751 HA ASN 88 HA ASN 88 2.305 -0.773 6.251 752 HB2 ASN 88 2HB ASN 88 0.125 -2.007 6.238 753 HB3 ASN 88 1HB ASN 88 1.002 -3.484 5.836 754 HD21 ASN 88 1HD2 ASN 88 1.030 -0.861 8.318 755 HD22 ASN 88 2HD2 ASN 88 1.490 -1.878 9.597 756 H ASN 89 H ASN 89 3.112 -3.291 3.926 757 HA ASN 89 HA ASN 89 5.248 -4.423 5.594 758 HB2 ASN 89 2HB ASN 89 3.925 -5.739 3.912 759 HB3 ASN 89 1HB ASN 89 4.662 -4.763 2.644 760 HD21 ASN 89 1HD2 ASN 89 5.619 -6.869 1.864 761 HD22 ASN 89 2HD2 ASN 89 7.026 -7.454 2.613 762 H ILE 90 H ILE 90 4.924 -2.357 2.740 763 HA ILE 90 HA ILE 90 7.740 -1.967 2.314 764 HB ILE 90 HB ILE 90 5.400 -0.206 1.543 765 HG12 ILE 90 2HG1 ILE 90 6.779 -2.345 -0.099 766 HG13 ILE 90 1HG1 ILE 90 5.307 -2.645 0.804 767 HG21 ILE 90 1HG2 ILE 90 6.932 0.511 -0.298 768 HG22 ILE 90 2HG2 ILE 90 8.221 -0.429 0.454 769 HG23 ILE 90 3HG2 ILE 90 7.532 0.955 1.300 770 HD11 ILE 90 3HD1 ILE 90 5.715 -0.901 -1.605 771 HD12 ILE 90 1HD1 ILE 90 4.377 -0.568 -0.503 772 HD13 ILE 90 2HD1 ILE 90 4.487 -2.128 -1.304 773 H ARG 91 H ARG 91 5.240 0.169 3.702 774 HA ARG 91 HA ARG 91 6.905 2.250 4.609 775 HB2 ARG 91 2HB ARG 91 4.366 2.151 4.697 776 HB3 ARG 91 1HB ARG 91 4.525 1.134 6.121 777 HG2 ARG 91 2HG ARG 91 5.982 3.018 7.109 778 HG3 ARG 91 1HG ARG 91 5.378 4.017 5.790 779 HD2 ARG 91 2HD ARG 91 3.031 3.374 6.531 780 HD3 ARG 91 1HD ARG 91 3.772 2.677 7.973 781 HE ARG 91 HE ARG 91 3.370 5.500 7.482 782 HH11 ARG 91 1HH2 ARG 91 5.461 3.133 8.865 783 HH12 ARG 91 2HH2 ARG 91 6.116 4.211 10.052 784 HH21 ARG 91 1HH1 ARG 91 4.213 6.921 9.024 785 HH22 ARG 91 2HH1 ARG 91 5.408 6.355 10.142 786 H ASN 92 H ASN 92 6.282 -0.923 5.939 787 HA ASN 92 HA ASN 92 7.698 -0.393 8.455 788 HB2 ASN 92 2HB ASN 92 5.828 -1.988 8.391 789 HB3 ASN 92 1HB ASN 92 6.711 -2.989 7.238 790 HD21 ASN 92 1HD2 ASN 92 7.318 -1.473 10.467 791 HD22 ASN 92 2HD2 ASN 92 8.128 -2.821 11.105 792 H ARG 93 H ARG 93 8.391 -2.192 5.430 793 HA ARG 93 HA ARG 93 10.975 -3.091 6.403 794 HB2 ARG 93 2HB ARG 93 9.741 -4.277 4.624 795 HB3 ARG 93 1HB ARG 93 9.953 -2.891 3.557 796 HG2 ARG 93 2HG ARG 93 12.260 -3.257 3.305 797 HG3 ARG 93 1HG ARG 93 12.396 -4.134 4.827 798 HD2 ARG 93 2HD ARG 93 11.255 -6.053 3.887 799 HD3 ARG 93 1HD ARG 93 10.931 -5.186 2.393 800 HE ARG 93 HE ARG 93 13.162 -5.601 1.720 801 HH11 ARG 93 1HH2 ARG 93 12.675 -6.172 5.086 802 HH12 ARG 93 2HH2 ARG 93 14.238 -6.878 5.328 803 HH21 ARG 93 1HH1 ARG 93 15.205 -6.519 2.017 804 HH22 ARG 93 2HH1 ARG 93 15.670 -7.075 3.590 805 H TRP 94 H TRP 94 9.899 -0.372 4.387 806 HA TRP 94 HA TRP 94 12.533 0.597 3.772 807 HB2 TRP 94 2HB TRP 94 10.655 1.388 2.462 808 HB3 TRP 94 1HB TRP 94 9.835 1.984 3.902 809 HD1 TRP 94 HD TRP 94 10.428 4.348 4.743 810 HE1 TRP 94 1HE TRP 94 12.028 6.202 3.938 811 HE3 TRP 94 3HE TRP 94 13.094 1.758 1.241 812 HZ2 TRP 94 2HZ TRP 94 14.156 6.541 2.059 813 HZ3 TRP 94 3HZ TRP 94 14.900 2.869 -0.040 814 HH2 TRP 94 HH TRP 94 15.435 5.256 0.363 815 H MET 95 H MET 95 10.241 1.227 6.411 816 HA MET 95 HA MET 95 11.891 3.245 7.675 817 HB2 MET 95 2HB MET 95 9.432 3.008 8.075 818 HB3 MET 95 1HB MET 95 9.749 1.492 8.919 819 HG2 MET 95 2HG MET 95 11.085 2.633 10.590 820 HG3 MET 95 1HG MET 95 10.974 4.152 9.700 821 HE1 MET 95 3HE MET 95 10.013 3.635 12.932 822 HE2 MET 95 1HE MET 95 8.901 5.000 12.763 823 HE3 MET 95 2HE MET 95 10.468 5.031 11.959 824 H MET 96 H MET 96 11.809 -0.238 7.689 825 HA MET 96 HA MET 96 13.417 -0.514 10.123 826 HB2 MET 96 2HB MET 96 11.782 -2.263 9.252 827 HB3 MET 96 1HB MET 96 12.937 -2.586 7.959 828 HG2 MET 96 2HG MET 96 13.395 -4.177 9.698 829 HG3 MET 96 1HG MET 96 14.683 -2.974 9.766 830 HE1 MET 96 3HE MET 96 13.079 -5.122 12.098 831 HE2 MET 96 1HE MET 96 13.827 -4.224 13.426 832 HE3 MET 96 2HE MET 96 14.746 -4.564 11.962 833 H ILE 97 H ILE 97 13.914 -0.545 6.617 834 HA ILE 97 HA ILE 97 16.789 -1.078 6.903 835 HB ILE 97 HB ILE 97 15.146 -0.297 4.475 836 HG12 ILE 97 2HG1 ILE 97 16.257 -3.012 5.249 837 HG13 ILE 97 1HG1 ILE 97 14.603 -2.513 5.601 838 HG21 ILE 97 1HG2 ILE 97 18.008 -1.235 4.813 839 HG22 ILE 97 2HG2 ILE 97 17.453 0.271 4.085 840 HG23 ILE 97 3HG2 ILE 97 17.165 -1.261 3.266 841 HD11 ILE 97 3HD1 ILE 97 15.885 -2.761 2.867 842 HD12 ILE 97 1HD1 ILE 97 14.295 -2.052 3.144 843 HD13 ILE 97 2HD1 ILE 97 14.580 -3.749 3.521 844 H ALA 98 H ALA 98 14.634 1.659 6.432 845 HA ALA 98 HA ALA 98 16.757 3.529 5.760 846 HB1 ALA 98 1HB ALA 98 14.412 3.958 5.111 847 HB2 ALA 98 2HB ALA 98 15.032 5.259 6.127 848 HB3 ALA 98 3HB ALA 98 13.957 4.041 6.812 849 H ARG 99 H ARG 99 15.603 2.094 8.650 850 HA ARG 99 HA ARG 99 16.366 4.223 10.459 851 HB2 ARG 99 2HB ARG 99 14.734 2.516 11.143 852 HB3 ARG 99 1HB ARG 99 15.954 1.256 10.951 853 HG2 ARG 99 2HG ARG 99 17.277 2.146 12.750 854 HG3 ARG 99 1HG ARG 99 16.296 3.611 12.825 855 HD2 ARG 99 2HD ARG 99 14.342 2.267 13.513 856 HD3 ARG 99 1HD ARG 99 15.325 0.804 13.442 857 HE ARG 99 HE ARG 99 15.329 2.742 15.598 858 HH11 ARG 99 1HH2 ARG 99 17.214 0.515 13.760 859 HH12 ARG 99 2HH2 ARG 99 18.350 0.221 15.034 860 HH21 ARG 99 1HH1 ARG 99 16.802 2.372 17.270 861 HH22 ARG 99 2HH1 ARG 99 18.117 1.272 17.021 862 H HIS 100 H HIS 100 18.007 1.730 8.737 863 HA HIS 100 HA HIS 100 20.361 1.734 10.501 864 HB2 HIS 100 2HB HIS 100 19.623 -0.321 9.273 865 HB3 HIS 100 1HB HIS 100 20.010 0.495 7.758 866 HD1 HIS 100 1HD HIS 100 22.649 1.744 8.164 867 HD2 HIS 100 2HD HIS 100 21.760 -1.963 9.857 868 HE1 HIS 100 1HE HIS 100 24.871 0.617 8.630 869 HE2 HIS 100 2HE HIS 100 24.341 -1.640 9.661 870 H ARG 101 H ARG 101 19.356 3.052 7.378 871 HA ARG 101 HA ARG 101 21.997 4.203 6.835 872 HB2 ARG 101 2HB ARG 101 19.400 4.928 5.458 873 HB3 ARG 101 1HB ARG 101 21.038 5.021 4.813 874 HG2 ARG 101 2HG ARG 101 19.517 2.488 5.498 875 HG3 ARG 101 1HG ARG 101 19.907 3.066 3.880 876 HD2 ARG 101 2HD ARG 101 22.377 2.977 4.638 877 HD3 ARG 101 1HD ARG 101 21.791 2.007 5.989 878 HE ARG 101 HE ARG 101 21.505 0.214 4.492 879 HH11 ARG 101 1HH2 ARG 101 21.693 3.243 2.854 880 HH12 ARG 101 2HH2 ARG 101 21.699 2.538 1.273 881 HH21 ARG 101 1HH1 ARG 101 21.511 -0.723 2.435 882 HH22 ARG 101 2HH1 ARG 101 21.595 0.293 1.035 883 H ALA 102 H ALA 102 19.248 5.057 8.667 884 HA ALA 102 HA ALA 102 19.482 7.940 8.427 885 HB1 ALA 102 1HB ALA 102 18.155 6.157 10.486 886 HB2 ALA 102 2HB ALA 102 17.374 7.013 9.157 887 HB3 ALA 102 3HB ALA 102 18.052 7.917 10.511 888 H LYS 103 H LYS 103 21.097 5.483 10.290 889 HA LYS 103 HA LYS 103 22.074 7.252 12.371 890 HB2 LYS 103 2HB LYS 103 22.876 4.499 11.402 891 HB3 LYS 103 1HB LYS 103 23.712 5.313 12.723 892 HG2 LYS 103 2HG LYS 103 21.737 5.366 14.072 893 HG3 LYS 103 1HG LYS 103 20.713 4.911 12.712 894 HD2 LYS 103 2HD LYS 103 21.137 3.005 14.258 895 HD3 LYS 103 1HD LYS 103 21.731 2.696 12.627 896 HE2 LYS 103 2HE LYS 103 23.305 2.120 14.607 897 HE3 LYS 103 1HE LYS 103 23.988 3.028 13.259 898 HZ1 LYS 103 3HZ LYS 103 23.038 4.117 15.851 899 HZ2 LYS 103 1HZ LYS 103 23.492 5.080 14.530 900 HZ3 LYS 103 2HZ LYS 103 24.637 4.075 15.281 901 H HIS 104 H HIS 104 22.606 7.447 9.197 902 HA HIS 104 HA HIS 104 24.352 8.237 7.842 903 HB2 HIS 104 2HB HIS 104 25.048 9.473 10.516 904 HB3 HIS 104 1HB HIS 104 25.828 9.913 8.998 905 HD1 HIS 104 1HD HIS 104 24.679 12.335 9.612 906 HD2 HIS 104 2HD HIS 104 22.097 9.277 8.434 907 HE1 HIS 104 1HE HIS 104 22.500 13.449 8.951 908 HE2 HIS 104 2HE HIS 104 20.923 11.597 8.232 909 H GLN 105 H GLN 105 24.748 5.736 9.674 910 HA GLN 105 HA GLN 105 27.412 5.428 10.462 911 HB2 GLN 105 2HB GLN 105 25.515 3.744 10.651 912 HB3 GLN 105 1HB GLN 105 25.842 3.309 8.974 913 HG2 GLN 105 2HG GLN 105 27.080 1.761 10.328 914 HG3 GLN 105 1HG GLN 105 28.257 2.899 9.673 915 HE21 GLN 105 1HE2 GLN 105 29.280 4.393 11.154 916 HE22 GLN 105 2HE2 GLN 105 29.102 4.260 12.837 917 H LYS 106 H LYS 106 26.054 4.819 7.215 918 HA LYS 106 HA LYS 106 28.464 4.091 5.922 919 HB2 LYS 106 2HB LYS 106 27.355 4.825 3.845 920 HB3 LYS 106 1HB LYS 106 26.239 3.912 4.860 921 HG2 LYS 106 2HG LYS 106 25.469 6.165 5.799 922 HG3 LYS 106 1HG LYS 106 26.371 6.912 4.481 923 HD2 LYS 106 2HD LYS 106 24.091 4.929 4.209 924 HD3 LYS 106 1HD LYS 106 24.040 6.645 3.812 925 HE2 LYS 106 2HE LYS 106 25.533 4.437 2.394 926 HE3 LYS 106 1HE LYS 106 24.391 5.599 1.720 927 HZ1 LYS 106 3HZ LYS 106 27.026 6.340 2.866 928 HZ2 LYS 106 1HZ LYS 106 25.958 7.349 2.019 929 HZ3 LYS 106 2HZ LYS 106 26.750 6.084 1.209 930 H SER 107 H SER 107 27.092 7.247 6.654 931 HA SER 107 HA SER 107 28.842 8.880 5.144 932 HB2 SER 107 2HB SER 107 28.081 10.668 6.456 933 HB3 SER 107 1HB SER 107 26.790 9.491 6.684 934 HG SER 107 HG SER 107 27.981 10.594 8.583 Start of MODEL 11 1 H1 LYS 1 1HT LYS 1 0.711 7.172 1.208 2 H2 LYS 1 2HT LYS 1 0.742 5.483 1.021 3 H3 LYS 1 3HT LYS 1 1.380 6.196 2.425 4 HA LYS 1 HA LYS 1 -0.850 5.158 2.725 5 HB2 LYS 1 2HB LYS 1 -1.734 7.068 4.007 6 HB3 LYS 1 1HB LYS 1 0.007 6.910 4.244 7 HG2 LYS 1 2HG LYS 1 0.286 8.602 2.350 8 HG3 LYS 1 1HG LYS 1 -1.448 8.893 2.477 9 HD2 LYS 1 2HD LYS 1 0.520 9.170 4.770 10 HD3 LYS 1 1HD LYS 1 -0.102 10.515 3.814 11 HE2 LYS 1 2HE LYS 1 -2.452 9.659 4.479 12 HE3 LYS 1 1HE LYS 1 -1.613 8.706 5.703 13 HZ1 LYS 1 2HZ LYS 1 -1.815 10.554 6.919 14 HZ2 LYS 1 3HZ LYS 1 -2.064 11.556 5.570 15 HZ3 LYS 1 1HZ LYS 1 -0.489 11.116 6.018 16 H VAL 2 H VAL 2 -3.149 6.746 2.777 17 HA VAL 2 HA VAL 2 -3.719 7.516 -0.042 18 HB VAL 2 HB VAL 2 -5.493 5.574 1.472 19 HG11 VAL 2 1HG1 VAL 2 -6.716 6.701 -0.245 20 HG12 VAL 2 2HG1 VAL 2 -6.282 5.136 -0.925 21 HG13 VAL 2 3HG1 VAL 2 -5.378 6.577 -1.386 22 HG21 VAL 2 3HG2 VAL 2 -4.534 3.859 -0.125 23 HG22 VAL 2 1HG2 VAL 2 -3.406 4.419 1.109 24 HG23 VAL 2 2HG2 VAL 2 -3.290 5.036 -0.540 25 H LYS 3 H LYS 3 -6.053 8.452 -0.107 26 HA LYS 3 HA LYS 3 -6.259 10.652 1.613 27 HB2 LYS 3 2HB LYS 3 -8.682 9.268 0.436 28 HB3 LYS 3 1HB LYS 3 -8.462 10.988 0.754 29 HG2 LYS 3 2HG LYS 3 -7.039 9.327 -1.347 30 HG3 LYS 3 1HG LYS 3 -8.204 10.619 -1.625 31 HD2 LYS 3 2HD LYS 3 -6.554 12.149 -0.360 32 HD3 LYS 3 1HD LYS 3 -5.380 10.847 -0.563 33 HE2 LYS 3 2HE LYS 3 -6.850 12.297 -2.782 34 HE3 LYS 3 1HE LYS 3 -5.136 12.438 -2.395 35 HZ1 LYS 3 3HZ LYS 3 -4.852 10.788 -3.838 36 HZ2 LYS 3 1HZ LYS 3 -6.506 10.416 -3.888 37 HZ3 LYS 3 2HZ LYS 3 -5.526 9.761 -2.664 38 H PHE 4 H PHE 4 -8.004 7.532 1.915 39 HA PHE 4 HA PHE 4 -9.102 8.309 4.503 40 HB2 PHE 4 2HB PHE 4 -9.755 5.837 4.585 41 HB3 PHE 4 1HB PHE 4 -10.465 6.799 3.305 42 HD1 PHE 4 2HD PHE 4 -9.587 6.659 1.004 43 HD2 PHE 4 1HD PHE 4 -8.220 4.021 4.098 44 HE1 PHE 4 2HE PHE 4 -8.697 5.119 -0.716 45 HE2 PHE 4 1HE PHE 4 -7.328 2.474 2.374 46 HZ PHE 4 HZ PHE 4 -7.569 3.035 -0.042 47 H THR 5 H THR 5 -8.663 7.073 6.498 48 HA THR 5 HA THR 5 -5.751 6.742 6.857 49 HB THR 5 HB THR 5 -6.837 7.998 8.580 50 HG1 THR 5 1HG THR 5 -6.584 5.422 9.686 51 HG21 THR 5 3HG2 THR 5 -9.120 7.344 8.313 52 HG22 THR 5 1HG2 THR 5 -8.657 6.882 9.950 53 HG23 THR 5 2HG2 THR 5 -8.748 5.661 8.682 54 H GLU 6 H GLU 6 -4.939 4.892 8.034 55 HA GLU 6 HA GLU 6 -5.417 2.426 6.824 56 HB2 GLU 6 2HB GLU 6 -4.552 2.801 9.706 57 HB3 GLU 6 1HB GLU 6 -4.223 1.404 8.681 58 HG2 GLU 6 2HG GLU 6 -2.998 2.943 7.105 59 HG3 GLU 6 1HG GLU 6 -3.188 4.225 8.301 60 H GLU 7 H GLU 7 -6.964 3.733 9.759 61 HA GLU 7 HA GLU 7 -8.404 1.504 10.630 62 HB2 GLU 7 2HB GLU 7 -9.520 4.314 10.455 63 HB3 GLU 7 1HB GLU 7 -10.030 3.044 11.564 64 HG2 GLU 7 2HG GLU 7 -7.245 4.244 11.478 65 HG3 GLU 7 1HG GLU 7 -8.492 4.674 12.647 66 H GLU 8 H GLU 8 -9.205 3.695 7.934 67 HA GLU 8 HA GLU 8 -11.736 2.449 7.385 68 HB2 GLU 8 2HB GLU 8 -10.392 4.697 6.475 69 HB3 GLU 8 1HB GLU 8 -10.343 3.648 5.060 70 HG2 GLU 8 2HG GLU 8 -12.815 4.534 6.583 71 HG3 GLU 8 1HG GLU 8 -12.351 5.015 4.951 72 H ASP 9 H ASP 9 -8.445 2.034 6.102 73 HA ASP 9 HA ASP 9 -8.853 0.122 4.110 74 HB2 ASP 9 2HB ASP 9 -6.637 1.108 4.928 75 HB3 ASP 9 1HB ASP 9 -6.654 -0.133 6.180 76 H LEU 10 H LEU 10 -9.176 -0.252 7.568 77 HA LEU 10 HA LEU 10 -9.276 -3.167 7.515 78 HB2 LEU 10 2HB LEU 10 -10.568 -1.511 9.692 79 HB3 LEU 10 1HB LEU 10 -9.693 -3.038 9.828 80 HG LEU 10 HG LEU 10 -8.494 -0.333 9.218 81 HD11 LEU 10 1HD1 LEU 10 -7.374 -0.631 11.383 82 HD12 LEU 10 2HD1 LEU 10 -8.232 -2.156 11.610 83 HD13 LEU 10 3HD1 LEU 10 -9.129 -0.637 11.561 84 HD21 LEU 10 3HD2 LEU 10 -7.281 -3.098 9.330 85 HD22 LEU 10 1HD2 LEU 10 -6.315 -1.628 9.468 86 HD23 LEU 10 2HD2 LEU 10 -7.222 -1.951 7.992 87 H LYS 11 H LYS 11 -11.578 -0.481 7.420 88 HA LYS 11 HA LYS 11 -13.969 -2.047 7.568 89 HB2 LYS 11 2HB LYS 11 -13.469 0.550 6.075 90 HB3 LYS 11 1HB LYS 11 -15.058 -0.125 6.436 91 HG2 LYS 11 2HG LYS 11 -14.511 -0.039 8.865 92 HG3 LYS 11 1HG LYS 11 -12.976 0.735 8.466 93 HD2 LYS 11 2HD LYS 11 -14.102 2.646 7.515 94 HD3 LYS 11 1HD LYS 11 -15.669 1.847 7.640 95 HE2 LYS 11 2HE LYS 11 -13.922 2.457 10.037 96 HE3 LYS 11 1HE LYS 11 -15.197 3.534 9.468 97 HZ1 LYS 11 3HZ LYS 11 -15.652 1.683 11.260 98 HZ2 LYS 11 1HZ LYS 11 -15.872 0.721 9.882 99 HZ3 LYS 11 2HZ LYS 11 -16.824 2.110 10.107 100 H LEU 12 H LEU 12 -11.692 -1.441 4.969 101 HA LEU 12 HA LEU 12 -13.367 -2.349 2.817 102 HB2 LEU 12 2HB LEU 12 -10.418 -1.948 3.219 103 HB3 LEU 12 1HB LEU 12 -10.935 -2.882 1.825 104 HG LEU 12 HG LEU 12 -12.392 -0.996 1.130 105 HD11 LEU 12 1HD1 LEU 12 -12.019 1.203 2.286 106 HD12 LEU 12 2HD1 LEU 12 -11.123 0.339 3.532 107 HD13 LEU 12 3HD1 LEU 12 -12.836 0.006 3.291 108 HD21 LEU 12 3HD2 LEU 12 -9.426 -0.553 1.546 109 HD22 LEU 12 1HD2 LEU 12 -10.412 0.638 0.697 110 HD23 LEU 12 2HD2 LEU 12 -10.279 -1.002 0.070 111 H GLN 13 H GLN 13 -10.902 -3.999 4.837 112 HA GLN 13 HA GLN 13 -11.041 -6.535 3.620 113 HB2 GLN 13 2HB GLN 13 -9.473 -5.984 5.444 114 HB3 GLN 13 1HB GLN 13 -10.815 -5.901 6.582 115 HG2 GLN 13 2HG GLN 13 -11.308 -8.280 6.218 116 HG3 GLN 13 1HG GLN 13 -10.022 -8.378 5.014 117 HE21 GLN 13 1HE2 GLN 13 -10.047 -6.712 8.197 118 HE22 GLN 13 2HE2 GLN 13 -8.727 -7.573 8.830 119 H GLN 14 H GLN 14 -13.250 -5.081 5.997 120 HA GLN 14 HA GLN 14 -14.877 -7.519 6.186 121 HB2 GLN 14 2HB GLN 14 -15.560 -4.716 7.071 122 HB3 GLN 14 1HB GLN 14 -16.330 -6.214 7.597 123 HG2 GLN 14 2HG GLN 14 -14.206 -6.972 8.589 124 HG3 GLN 14 1HG GLN 14 -13.419 -5.489 8.050 125 HE21 GLN 14 1HE2 GLN 14 -16.731 -5.183 9.089 126 HE22 GLN 14 2HE2 GLN 14 -16.406 -4.475 10.597 127 H LEU 15 H LEU 15 -15.538 -4.231 4.878 128 HA LEU 15 HA LEU 15 -18.067 -4.917 3.767 129 HB2 LEU 15 2HB LEU 15 -16.073 -2.869 2.753 130 HB3 LEU 15 1HB LEU 15 -17.789 -2.908 2.363 131 HG LEU 15 HG LEU 15 -16.826 -2.739 5.233 132 HD11 LEU 15 1HD1 LEU 15 -17.434 -0.431 3.361 133 HD12 LEU 15 2HD1 LEU 15 -15.843 -0.844 4.002 134 HD13 LEU 15 3HD1 LEU 15 -17.116 -0.294 5.092 135 HD21 LEU 15 3HD2 LEU 15 -19.088 -1.599 5.467 136 HD22 LEU 15 1HD2 LEU 15 -19.165 -3.305 5.039 137 HD23 LEU 15 2HD2 LEU 15 -19.423 -2.075 3.804 138 H VAL 16 H VAL 16 -14.894 -4.693 2.179 139 HA VAL 16 HA VAL 16 -15.693 -5.678 -0.343 140 HB VAL 16 HB VAL 16 -13.015 -6.193 0.980 141 HG11 VAL 16 1HG1 VAL 16 -13.479 -7.375 -1.163 142 HG12 VAL 16 2HG1 VAL 16 -12.189 -6.186 -1.320 143 HG13 VAL 16 3HG1 VAL 16 -13.803 -5.815 -1.919 144 HG21 VAL 16 3HG2 VAL 16 -12.296 -4.032 0.305 145 HG22 VAL 16 1HG2 VAL 16 -13.881 -3.728 0.998 146 HG23 VAL 16 2HG2 VAL 16 -13.688 -3.792 -0.744 147 H MET 17 H MET 17 -14.917 -7.388 2.680 148 HA MET 17 HA MET 17 -14.791 -9.997 1.467 149 HB2 MET 17 2HB MET 17 -13.896 -9.818 3.662 150 HB3 MET 17 1HB MET 17 -15.337 -9.018 4.277 151 HG2 MET 17 2HG MET 17 -16.606 -11.027 4.206 152 HG3 MET 17 1HG MET 17 -15.400 -11.841 3.208 153 HE1 MET 17 3HE MET 17 -16.883 -12.238 6.379 154 HE2 MET 17 1HE MET 17 -15.668 -13.405 6.919 155 HE3 MET 17 2HE MET 17 -16.315 -13.494 5.281 156 H ARG 18 H ARG 18 -17.401 -7.896 2.537 157 HA ARG 18 HA ARG 18 -19.463 -9.940 2.360 158 HB2 ARG 18 2HB ARG 18 -19.618 -7.769 3.689 159 HB3 ARG 18 1HB ARG 18 -19.814 -6.936 2.151 160 HG2 ARG 18 2HG ARG 18 -22.049 -7.285 2.778 161 HG3 ARG 18 1HG ARG 18 -21.754 -8.677 1.742 162 HD2 ARG 18 2HD ARG 18 -21.384 -10.104 3.682 163 HD3 ARG 18 1HD ARG 18 -21.474 -8.717 4.767 164 HE ARG 18 HE ARG 18 -23.819 -8.857 4.635 165 HH11 ARG 18 1HH2 ARG 18 -22.283 -10.493 2.015 166 HH12 ARG 18 2HH2 ARG 18 -23.758 -11.148 1.387 167 HH21 ARG 18 1HH1 ARG 18 -25.753 -9.703 3.828 168 HH22 ARG 18 2HH1 ARG 18 -25.722 -10.701 2.412 169 H TYR 19 H TYR 19 -17.899 -7.746 0.128 170 HA TYR 19 HA TYR 19 -19.871 -8.382 -2.025 171 HB2 TYR 19 2HB TYR 19 -17.535 -6.443 -1.977 172 HB3 TYR 19 1HB TYR 19 -18.695 -6.627 -3.290 173 HD1 TYR 19 1HD TYR 19 -21.231 -6.445 -2.618 174 HD2 TYR 19 2HD TYR 19 -17.996 -4.838 -0.292 175 HE1 TYR 19 1HE TYR 19 -22.812 -4.931 -1.460 176 HE2 TYR 19 2HE TYR 19 -19.581 -3.328 0.866 177 HH TYR 19 HH TYR 19 -23.071 -3.431 0.158 178 H GLY 20 H GLY 20 -16.929 -9.461 -0.780 179 HA2 GLY 20 2HA GLY 20 -15.759 -11.387 -1.605 180 HA3 GLY 20 1HA GLY 20 -16.418 -11.082 -3.214 181 H ALA 21 H ALA 21 -15.651 -9.003 -4.227 182 HA ALA 21 HA ALA 21 -13.585 -7.339 -3.684 183 HB1 ALA 21 1HB ALA 21 -12.486 -10.098 -4.177 184 HB2 ALA 21 2HB ALA 21 -11.934 -8.873 -3.035 185 HB3 ALA 21 3HB ALA 21 -11.560 -8.708 -4.742 186 H LYS 22 H LYS 22 -15.725 -7.459 -5.469 187 HA LYS 22 HA LYS 22 -14.324 -6.868 -8.015 188 HB2 LYS 22 2HB LYS 22 -15.811 -8.308 -9.336 189 HB3 LYS 22 1HB LYS 22 -14.880 -9.263 -8.183 190 HG2 LYS 22 2HG LYS 22 -16.853 -9.097 -6.602 191 HG3 LYS 22 1HG LYS 22 -17.770 -8.393 -7.935 192 HD2 LYS 22 2HD LYS 22 -17.417 -10.395 -9.287 193 HD3 LYS 22 1HD LYS 22 -16.396 -11.094 -8.031 194 HE2 LYS 22 2HE LYS 22 -18.271 -11.174 -6.482 195 HE3 LYS 22 1HE LYS 22 -19.305 -10.335 -7.639 196 HZ1 LYS 22 3HZ LYS 22 -18.721 -12.265 -9.186 197 HZ2 LYS 22 1HZ LYS 22 -19.831 -12.558 -7.937 198 HZ3 LYS 22 2HZ LYS 22 -18.220 -13.075 -7.780 199 H ASP 23 H ASP 23 -16.771 -6.127 -5.801 200 HA ASP 23 HA ASP 23 -18.316 -4.550 -7.835 201 HB2 ASP 23 2HB ASP 23 -19.186 -5.082 -4.989 202 HB3 ASP 23 1HB ASP 23 -20.174 -4.625 -6.374 203 H TRP 24 H TRP 24 -15.849 -3.538 -7.151 204 HA TRP 24 HA TRP 24 -15.876 -1.793 -4.876 205 HB2 TRP 24 2HB TRP 24 -14.359 -1.485 -7.487 206 HB3 TRP 24 1HB TRP 24 -13.979 -0.675 -5.964 207 HD1 TRP 24 HD TRP 24 -13.778 -4.068 -7.690 208 HE1 TRP 24 1HE TRP 24 -12.354 -5.648 -6.223 209 HE3 TRP 24 3HE TRP 24 -13.282 -1.176 -3.555 210 HZ2 TRP 24 2HZ TRP 24 -11.160 -5.660 -3.615 211 HZ3 TRP 24 3HZ TRP 24 -11.993 -1.962 -1.594 212 HH2 TRP 24 HH TRP 24 -10.936 -4.202 -1.611 213 H ILE 25 H ILE 25 -17.547 -1.723 -7.819 214 HA ILE 25 HA ILE 25 -17.846 1.152 -8.065 215 HB ILE 25 HB ILE 25 -19.879 0.416 -9.501 216 HG12 ILE 25 2HG1 ILE 25 -18.540 -2.291 -9.220 217 HG13 ILE 25 1HG1 ILE 25 -19.994 -1.846 -8.329 218 HG21 ILE 25 1HG2 ILE 25 -17.080 -0.552 -10.160 219 HG22 ILE 25 2HG2 ILE 25 -17.744 1.044 -10.506 220 HG23 ILE 25 3HG2 ILE 25 -18.383 -0.374 -11.336 221 HD11 ILE 25 3HD1 ILE 25 -19.706 -1.848 -11.347 222 HD12 ILE 25 1HD1 ILE 25 -21.158 -1.385 -10.460 223 HD13 ILE 25 2HD1 ILE 25 -20.578 -3.050 -10.397 224 H ARG 26 H ARG 26 -19.515 -1.465 -6.411 225 HA ARG 26 HA ARG 26 -21.752 0.212 -5.588 226 HB2 ARG 26 2HB ARG 26 -20.793 -2.538 -4.754 227 HB3 ARG 26 1HB ARG 26 -22.199 -1.760 -4.027 228 HG2 ARG 26 2HG ARG 26 -23.197 -1.534 -6.307 229 HG3 ARG 26 1HG ARG 26 -21.833 -2.444 -6.956 230 HD2 ARG 26 2HD ARG 26 -22.409 -4.380 -5.628 231 HD3 ARG 26 1HD ARG 26 -23.658 -3.477 -4.773 232 HE ARG 26 HE ARG 26 -24.296 -3.346 -7.522 233 HH11 ARG 26 1HH2 ARG 26 -23.903 -5.665 -5.000 234 HH12 ARG 26 2HH2 ARG 26 -25.062 -6.772 -5.658 235 HH21 ARG 26 1HH1 ARG 26 -25.810 -4.779 -8.394 236 HH22 ARG 26 2HH1 ARG 26 -26.140 -6.271 -7.579 237 H ILE 27 H ILE 27 -18.924 -1.250 -3.998 238 HA ILE 27 HA ILE 27 -19.275 -0.098 -1.461 239 HB ILE 27 HB ILE 27 -16.653 -0.584 -2.897 240 HG12 ILE 27 2HG1 ILE 27 -18.210 -2.411 -1.050 241 HG13 ILE 27 1HG1 ILE 27 -18.247 -2.544 -2.805 242 HG21 ILE 27 1HG2 ILE 27 -16.312 0.747 -0.909 243 HG22 ILE 27 2HG2 ILE 27 -15.844 -0.907 -0.520 244 HG23 ILE 27 3HG2 ILE 27 -17.398 -0.279 0.025 245 HD11 ILE 27 3HD1 ILE 27 -16.598 -4.108 -2.065 246 HD12 ILE 27 1HD1 ILE 27 -15.879 -2.932 -0.965 247 HD13 ILE 27 2HD1 ILE 27 -15.699 -2.734 -2.708 248 H SER 28 H SER 28 -17.907 1.271 -4.410 249 HA SER 28 HA SER 28 -16.937 3.681 -3.117 250 HB2 SER 28 2HB SER 28 -17.452 2.954 -6.006 251 HB3 SER 28 1HB SER 28 -16.805 4.516 -5.509 252 HG SER 28 HG SER 28 -14.994 3.556 -4.810 253 H GLN 29 H GLN 29 -19.977 2.671 -4.574 254 HA GLN 29 HA GLN 29 -21.114 5.286 -4.895 255 HB2 GLN 29 2HB GLN 29 -22.313 2.543 -4.478 256 HB3 GLN 29 1HB GLN 29 -23.345 3.967 -4.554 257 HG2 GLN 29 2HG GLN 29 -21.281 3.495 -6.713 258 HG3 GLN 29 1HG GLN 29 -22.819 2.639 -6.771 259 HE21 GLN 29 1HE2 GLN 29 -21.669 4.956 -8.463 260 HE22 GLN 29 2HE2 GLN 29 -22.895 6.129 -8.431 261 H LEU 30 H LEU 30 -20.998 3.058 -2.133 262 HA LEU 30 HA LEU 30 -22.621 4.669 -0.389 263 HB2 LEU 30 2HB LEU 30 -20.327 2.938 0.570 264 HB3 LEU 30 1HB LEU 30 -21.870 3.255 1.363 265 HG LEU 30 HG LEU 30 -21.430 1.612 -1.146 266 HD11 LEU 30 1HD1 LEU 30 -22.300 -0.219 0.273 267 HD12 LEU 30 2HD1 LEU 30 -22.392 0.895 1.638 268 HD13 LEU 30 3HD1 LEU 30 -20.824 0.477 0.944 269 HD21 LEU 30 3HD2 LEU 30 -23.928 1.143 -0.837 270 HD22 LEU 30 1HD2 LEU 30 -23.521 2.749 -1.436 271 HD23 LEU 30 2HD2 LEU 30 -23.957 2.524 0.259 272 H MET 31 H MET 31 -19.181 4.544 -1.138 273 HA MET 31 HA MET 31 -18.780 7.158 0.306 274 HB2 MET 31 2HB MET 31 -16.936 4.772 0.004 275 HB3 MET 31 1HB MET 31 -16.370 6.361 0.517 276 HG2 MET 31 2HG MET 31 -18.625 4.894 1.905 277 HG3 MET 31 1HG MET 31 -16.940 4.759 2.406 278 HE1 MET 31 3HE MET 31 -19.558 5.726 3.953 279 HE2 MET 31 1HE MET 31 -18.988 7.083 4.933 280 HE3 MET 31 2HE MET 31 -18.032 5.608 4.824 281 H ILE 32 H ILE 32 -19.586 7.710 -2.069 282 HA ILE 32 HA ILE 32 -17.963 7.359 -4.343 283 HB ILE 32 HB ILE 32 -18.912 9.590 -5.085 284 HG12 ILE 32 2HG1 ILE 32 -20.265 9.444 -2.371 285 HG13 ILE 32 1HG1 ILE 32 -18.978 10.576 -2.788 286 HG21 ILE 32 1HG2 ILE 32 -20.912 7.662 -3.866 287 HG22 ILE 32 2HG2 ILE 32 -20.087 7.401 -5.401 288 HG23 ILE 32 3HG2 ILE 32 -21.198 8.757 -5.217 289 HD11 ILE 32 3HD1 ILE 32 -21.734 10.401 -4.035 290 HD12 ILE 32 1HD1 ILE 32 -20.430 11.395 -4.686 291 HD13 ILE 32 2HD1 ILE 32 -21.077 11.731 -3.079 292 H THR 33 H THR 33 -17.266 9.083 -1.468 293 HA THR 33 HA THR 33 -15.572 11.146 -2.402 294 HB THR 33 HB THR 33 -14.376 10.819 -0.179 295 HG1 THR 33 1HG THR 33 -15.608 9.307 1.189 296 HG21 THR 33 3HG2 THR 33 -16.358 12.280 -0.437 297 HG22 THR 33 1HG2 THR 33 -16.324 11.504 1.146 298 HG23 THR 33 2HG2 THR 33 -17.405 10.899 -0.110 299 H ARG 34 H ARG 34 -15.125 7.697 -2.386 300 HA ARG 34 HA ARG 34 -12.274 8.039 -3.305 301 HB2 ARG 34 2HB ARG 34 -13.588 6.100 -1.454 302 HB3 ARG 34 1HB ARG 34 -12.462 5.378 -2.596 303 HG2 ARG 34 2HG ARG 34 -11.280 5.962 -0.547 304 HG3 ARG 34 1HG ARG 34 -10.717 6.989 -1.864 305 HD2 ARG 34 2HD ARG 34 -11.186 8.220 0.306 306 HD3 ARG 34 1HD ARG 34 -12.048 8.844 -1.094 307 HE ARG 34 HE ARG 34 -14.056 8.238 -0.030 308 HH11 ARG 34 1HH2 ARG 34 -11.373 6.464 1.210 309 HH12 ARG 34 2HH2 ARG 34 -12.283 5.719 2.480 310 HH21 ARG 34 1HH1 ARG 34 -15.255 7.282 1.630 311 HH22 ARG 34 2HH1 ARG 34 -14.479 6.180 2.717 312 H ASN 35 H ASN 35 -11.653 6.818 -5.133 313 HA ASN 35 HA ASN 35 -13.903 6.106 -6.907 314 HB2 ASN 35 2HB ASN 35 -10.957 6.128 -7.583 315 HB3 ASN 35 1HB ASN 35 -12.316 6.212 -8.702 316 HD21 ASN 35 1HD2 ASN 35 -10.051 8.204 -8.118 317 HD22 ASN 35 2HD2 ASN 35 -10.857 9.662 -7.794 318 HA PRO 36 HA PRO 36 -13.699 1.682 -6.428 319 HB2 PRO 36 2HB PRO 36 -13.086 1.656 -9.389 320 HB3 PRO 36 1HB PRO 36 -14.226 0.647 -8.474 321 HG2 PRO 36 2HG PRO 36 -15.091 2.712 -9.910 322 HG3 PRO 36 1HG PRO 36 -15.811 2.328 -8.335 323 HD2 PRO 36 2HD PRO 36 -13.997 4.590 -9.058 324 HD3 PRO 36 1HD PRO 36 -15.216 4.481 -7.767 325 H ARG 37 H ARG 37 -11.223 3.289 -8.362 326 HA ARG 37 HA ARG 37 -9.250 1.187 -8.142 327 HB2 ARG 37 2HB ARG 37 -9.033 4.117 -8.863 328 HB3 ARG 37 1HB ARG 37 -7.683 2.984 -8.947 329 HG2 ARG 37 2HG ARG 37 -8.931 1.584 -10.532 330 HG3 ARG 37 1HG ARG 37 -10.313 2.676 -10.426 331 HD2 ARG 37 2HD ARG 37 -7.550 3.520 -11.345 332 HD3 ARG 37 1HD ARG 37 -8.866 3.089 -12.438 333 HE ARG 37 HE ARG 37 -8.609 5.597 -11.001 334 HH11 ARG 37 1HH2 ARG 37 -10.783 3.233 -12.260 335 HH12 ARG 37 2HH2 ARG 37 -12.090 4.351 -12.462 336 HH21 ARG 37 1HH1 ARG 37 -10.304 7.069 -11.258 337 HH22 ARG 37 2HH1 ARG 37 -11.820 6.523 -11.895 338 H GLN 38 H GLN 38 -10.139 3.931 -6.126 339 HA GLN 38 HA GLN 38 -7.650 4.031 -4.668 340 HB2 GLN 38 2HB GLN 38 -10.432 5.001 -3.967 341 HB3 GLN 38 1HB GLN 38 -8.990 5.363 -3.023 342 HG2 GLN 38 2HG GLN 38 -9.224 5.995 -5.973 343 HG3 GLN 38 1HG GLN 38 -9.641 7.150 -4.706 344 HE21 GLN 38 1HE2 GLN 38 -7.577 7.940 -6.334 345 HE22 GLN 38 2HE2 GLN 38 -6.082 7.785 -5.544 346 H CYS 39 H CYS 39 -10.801 2.473 -3.877 347 HA CYS 39 HA CYS 39 -9.635 1.345 -1.431 348 HB2 CYS 39 2HB CYS 39 -12.263 0.767 -2.804 349 HB3 CYS 39 1HB CYS 39 -11.825 0.309 -1.162 350 HG CYS 39 HG CYS 39 -11.474 3.234 -1.287 351 H ARG 40 H ARG 40 -10.174 0.354 -4.750 352 HA ARG 40 HA ARG 40 -9.895 -2.477 -4.356 353 HB2 ARG 40 2HB ARG 40 -10.750 -1.718 -6.462 354 HB3 ARG 40 1HB ARG 40 -9.380 -0.647 -6.703 355 HG2 ARG 40 2HG ARG 40 -9.283 -2.704 -8.122 356 HG3 ARG 40 1HG ARG 40 -7.888 -2.538 -7.065 357 HD2 ARG 40 2HD ARG 40 -8.769 -4.174 -5.531 358 HD3 ARG 40 1HD ARG 40 -10.321 -4.191 -6.362 359 HE ARG 40 HE ARG 40 -7.956 -5.662 -7.162 360 HH11 ARG 40 1HH2 ARG 40 -10.793 -4.012 -8.219 361 HH12 ARG 40 2HH2 ARG 40 -10.937 -4.924 -9.686 362 HH21 ARG 40 1HH1 ARG 40 -8.128 -6.861 -9.070 363 HH22 ARG 40 2HH1 ARG 40 -9.428 -6.536 -10.167 364 H GLU 41 H GLU 41 -7.558 0.088 -5.178 365 HA GLU 41 HA GLU 41 -5.224 -1.446 -5.386 366 HB2 GLU 41 2HB GLU 41 -5.729 1.334 -4.305 367 HB3 GLU 41 1HB GLU 41 -4.099 0.661 -4.322 368 HG2 GLU 41 2HG GLU 41 -4.101 0.440 -6.698 369 HG3 GLU 41 1HG GLU 41 -5.837 0.722 -6.800 370 H ARG 42 H ARG 42 -7.063 -0.572 -2.498 371 HA ARG 42 HA ARG 42 -4.993 -1.356 -0.618 372 HB2 ARG 42 2HB ARG 42 -7.993 -1.413 -0.232 373 HB3 ARG 42 1HB ARG 42 -6.781 -1.416 1.042 374 HG2 ARG 42 2HG ARG 42 -7.251 0.808 -0.965 375 HG3 ARG 42 1HG ARG 42 -7.689 0.836 0.739 376 HD2 ARG 42 2HD ARG 42 -5.641 1.973 0.799 377 HD3 ARG 42 1HD ARG 42 -5.095 0.323 1.086 378 HE ARG 42 HE ARG 42 -5.120 0.752 -1.723 379 HH11 ARG 42 1HH2 ARG 42 -3.568 1.846 1.156 380 HH12 ARG 42 2HH2 ARG 42 -2.077 2.231 0.364 381 HH21 ARG 42 1HH1 ARG 42 -3.182 1.249 -2.773 382 HH22 ARG 42 2HH1 ARG 42 -1.858 1.893 -1.859 383 H TRP 43 H TRP 43 -7.692 -3.115 -2.114 384 HA TRP 43 HA TRP 43 -7.682 -5.535 -0.761 385 HB2 TRP 43 2HB TRP 43 -9.055 -4.917 -2.792 386 HB3 TRP 43 1HB TRP 43 -7.649 -5.287 -3.777 387 HD1 TRP 43 HD TRP 43 -7.635 -7.640 -4.693 388 HE1 TRP 43 1HE TRP 43 -8.629 -9.913 -3.996 389 HE3 TRP 43 3HE TRP 43 -9.868 -6.318 -0.296 390 HZ2 TRP 43 2HZ TRP 43 -10.158 -11.026 -1.852 391 HZ3 TRP 43 3HZ TRP 43 -11.082 -8.002 1.054 392 HH2 TRP 43 HH TRP 43 -11.233 -10.353 0.281 393 H ASN 44 H ASN 44 -5.571 -4.909 -3.592 394 HA ASN 44 HA ASN 44 -3.959 -7.268 -2.944 395 HB2 ASN 44 2HB ASN 44 -3.331 -5.073 -4.934 396 HB3 ASN 44 1HB ASN 44 -2.700 -6.721 -4.920 397 HD21 ASN 44 1HD2 ASN 44 -5.766 -4.883 -5.282 398 HD22 ASN 44 2HD2 ASN 44 -6.539 -6.062 -6.228 399 H ASN 45 H ASN 45 -3.512 -3.737 -2.711 400 HA ASN 45 HA ASN 45 -0.783 -4.067 -1.683 401 HB2 ASN 45 2HB ASN 45 -2.492 -1.565 -1.635 402 HB3 ASN 45 1HB ASN 45 -0.734 -1.667 -1.563 403 HD21 ASN 45 1HD2 ASN 45 -1.549 -0.088 -3.588 404 HD22 ASN 45 2HD2 ASN 45 -1.484 -0.881 -5.088 405 H TYR 46 H TYR 46 -3.399 -5.039 -0.163 406 HA TYR 46 HA TYR 46 -2.286 -4.269 2.456 407 HB2 TYR 46 2HB TYR 46 -4.268 -2.646 1.469 408 HB3 TYR 46 1HB TYR 46 -5.234 -3.813 2.362 409 HD1 TYR 46 1HD TYR 46 -3.967 -4.503 4.730 410 HD2 TYR 46 2HD TYR 46 -3.693 -0.722 2.704 411 HE1 TYR 46 1HE TYR 46 -3.350 -3.406 6.860 412 HE2 TYR 46 2HE TYR 46 -3.076 0.372 4.838 413 HH TYR 46 HH TYR 46 -2.712 0.103 7.004 414 H ILE 47 H ILE 47 -5.264 -5.843 1.104 415 HA ILE 47 HA ILE 47 -4.437 -8.303 2.546 416 HB ILE 47 HB ILE 47 -6.326 -8.551 3.897 417 HG12 ILE 47 2HG1 ILE 47 -8.107 -8.080 2.236 418 HG13 ILE 47 1HG1 ILE 47 -8.391 -7.238 3.743 419 HG21 ILE 47 1HG2 ILE 47 -5.857 -5.559 3.826 420 HG22 ILE 47 2HG2 ILE 47 -4.902 -6.734 4.724 421 HG23 ILE 47 3HG2 ILE 47 -6.589 -6.458 5.152 422 HD11 ILE 47 3HD1 ILE 47 -7.058 -5.945 1.370 423 HD12 ILE 47 1HD1 ILE 47 -7.590 -5.155 2.843 424 HD13 ILE 47 2HD1 ILE 47 -8.772 -5.812 1.716 425 H ASN 48 H ASN 48 -4.586 -9.941 1.278 426 HA ASN 48 HA ASN 48 -6.795 -10.870 -0.151 427 HB2 ASN 48 2HB ASN 48 -6.847 -9.676 -2.094 428 HB3 ASN 48 1HB ASN 48 -5.452 -8.767 -1.591 429 HD21 ASN 48 1HD2 ASN 48 -3.426 -9.231 -2.571 430 HD22 ASN 48 2HD2 ASN 48 -3.231 -10.417 -3.770 431 HA PRO 49 HA PRO 49 -3.022 -13.531 -1.070 432 HB2 PRO 49 2HB PRO 49 -0.502 -12.457 -1.095 433 HB3 PRO 49 1HB PRO 49 -1.637 -12.269 -2.445 434 HG2 PRO 49 2HG PRO 49 -0.684 -10.237 -0.578 435 HG3 PRO 49 1HG PRO 49 -1.588 -10.023 -2.077 436 HD2 PRO 49 2HD PRO 49 -2.620 -10.099 0.704 437 HD3 PRO 49 1HD PRO 49 -3.413 -9.502 -0.762 438 H ALA 50 H ALA 50 -3.034 -11.649 1.753 439 HA ALA 50 HA ALA 50 -2.501 -12.197 3.969 440 HB1 ALA 50 1HB ALA 50 -3.118 -14.596 3.002 441 HB2 ALA 50 2HB ALA 50 -2.329 -14.452 4.571 442 HB3 ALA 50 3HB ALA 50 -1.384 -14.879 3.146 443 H LEU 51 H LEU 51 -0.831 -10.565 2.914 444 HA LEU 51 HA LEU 51 1.940 -11.637 2.958 445 HB2 LEU 51 2HB LEU 51 2.366 -9.069 2.372 446 HB3 LEU 51 1HB LEU 51 1.778 -10.180 1.141 447 HG LEU 51 HG LEU 51 -0.538 -9.451 1.572 448 HD11 LEU 51 1HD1 LEU 51 -0.813 -7.363 3.005 449 HD12 LEU 51 2HD1 LEU 51 0.794 -7.711 3.644 450 HD13 LEU 51 3HD1 LEU 51 -0.519 -8.866 3.878 451 HD21 LEU 51 3HD2 LEU 51 1.246 -7.050 1.199 452 HD22 LEU 51 1HD2 LEU 51 -0.368 -7.298 0.536 453 HD23 LEU 51 2HD2 LEU 51 0.986 -8.259 -0.059 454 H ARG 52 H ARG 52 0.288 -11.439 5.415 455 HA ARG 52 HA ARG 52 0.990 -9.210 7.018 456 HB2 ARG 52 2HB ARG 52 0.599 -12.112 7.816 457 HB3 ARG 52 1HB ARG 52 0.670 -10.763 8.951 458 HG2 ARG 52 2HG ARG 52 -1.259 -9.713 7.766 459 HG3 ARG 52 1HG ARG 52 -1.366 -11.140 6.735 460 HD2 ARG 52 2HD ARG 52 -1.829 -12.558 8.645 461 HD3 ARG 52 1HD ARG 52 -1.545 -11.222 9.759 462 HE ARG 52 HE ARG 52 -3.612 -10.464 7.944 463 HH11 ARG 52 1HH2 ARG 52 -2.909 -12.643 10.523 464 HH12 ARG 52 2HH2 ARG 52 -4.547 -12.722 11.079 465 HH21 ARG 52 1HH1 ARG 52 -5.754 -10.555 8.657 466 HH22 ARG 52 2HH1 ARG 52 -6.157 -11.540 10.023 467 H THR 53 H THR 53 3.019 -11.442 5.553 468 HA THR 53 HA THR 53 5.336 -10.464 7.080 469 HB THR 53 HB THR 53 4.880 -12.307 8.507 470 HG1 THR 53 1HG THR 53 6.968 -12.290 7.034 471 HG21 THR 53 3HG2 THR 53 3.128 -13.396 7.273 472 HG22 THR 53 1HG2 THR 53 4.398 -14.591 7.528 473 HG23 THR 53 2HG2 THR 53 4.230 -13.805 5.959 474 H ASP 54 H ASP 54 5.278 -9.671 4.697 475 HA ASP 54 HA ASP 54 6.850 -11.591 3.000 476 HB2 ASP 54 2HB ASP 54 4.489 -11.306 2.184 477 HB3 ASP 54 1HB ASP 54 4.818 -9.583 1.993 478 HA PRO 55 HA PRO 55 8.941 -7.446 3.563 479 HB2 PRO 55 2HB PRO 55 11.214 -8.242 4.788 480 HB3 PRO 55 1HB PRO 55 9.701 -8.054 5.699 481 HG2 PRO 55 2HG PRO 55 10.917 -10.552 4.583 482 HG3 PRO 55 1HG PRO 55 10.256 -10.260 6.205 483 HD2 PRO 55 2HD PRO 55 8.809 -11.495 4.235 484 HD3 PRO 55 1HD PRO 55 8.040 -10.495 5.490 485 H TRP 56 H TRP 56 10.219 -6.670 1.938 486 HA TRP 56 HA TRP 56 11.328 -8.569 -0.018 487 HB2 TRP 56 2HB TRP 56 12.089 -6.180 -1.024 488 HB3 TRP 56 1HB TRP 56 10.471 -6.823 -1.245 489 HD1 TRP 56 HD TRP 56 8.578 -5.924 0.555 490 HE1 TRP 56 1HE TRP 56 8.310 -3.547 1.537 491 HE3 TRP 56 3HE TRP 56 13.315 -4.173 -0.149 492 HZ2 TRP 56 2HZ TRP 56 9.930 -1.217 1.969 493 HZ3 TRP 56 3HZ TRP 56 13.927 -1.890 0.540 494 HH2 TRP 56 HH TRP 56 12.250 -0.404 1.609 495 H SER 57 H SER 57 13.609 -7.393 -0.935 496 HA SER 57 HA SER 57 15.465 -7.287 1.419 497 HB2 SER 57 2HB SER 57 16.526 -8.710 -0.954 498 HB3 SER 57 1HB SER 57 16.557 -9.192 0.742 499 HG SER 57 HG SER 57 15.191 -10.394 -0.895 500 HA PRO 58 HA PRO 58 17.893 -4.068 -0.377 501 HB2 PRO 58 2HB PRO 58 19.930 -6.047 -1.385 502 HB3 PRO 58 1HB PRO 58 20.189 -4.514 -0.518 503 HG2 PRO 58 2HG PRO 58 20.362 -6.768 0.810 504 HG3 PRO 58 1HG PRO 58 19.465 -5.410 1.522 505 HD2 PRO 58 2HD PRO 58 18.392 -7.887 0.200 506 HD3 PRO 58 1HD PRO 58 17.780 -7.034 1.635 507 H GLU 59 H GLU 59 16.930 -6.622 -2.454 508 HA GLU 59 HA GLU 59 17.813 -5.502 -4.957 509 HB2 GLU 59 2HB GLU 59 15.661 -7.530 -4.283 510 HB3 GLU 59 1HB GLU 59 16.128 -7.105 -5.929 511 HG2 GLU 59 2HG GLU 59 18.441 -7.810 -5.468 512 HG3 GLU 59 1HG GLU 59 17.991 -8.221 -3.813 513 H GLU 60 H GLU 60 14.771 -5.411 -3.083 514 HA GLU 60 HA GLU 60 13.544 -3.626 -5.076 515 HB2 GLU 60 2HB GLU 60 12.524 -4.250 -2.303 516 HB3 GLU 60 1HB GLU 60 11.602 -3.693 -3.691 517 HG2 GLU 60 2HG GLU 60 12.999 -6.373 -3.443 518 HG3 GLU 60 1HG GLU 60 11.258 -6.100 -3.366 519 H ASP 61 H ASP 61 15.414 -3.423 -2.146 520 HA ASP 61 HA ASP 61 14.689 -0.745 -1.391 521 HB2 ASP 61 2HB ASP 61 16.097 -2.547 -0.083 522 HB3 ASP 61 1HB ASP 61 17.465 -1.862 -0.956 523 H MET 62 H MET 62 17.582 -1.956 -3.119 524 HA MET 62 HA MET 62 18.522 0.602 -3.922 525 HB2 MET 62 2HB MET 62 19.915 -0.593 -5.519 526 HB3 MET 62 1HB MET 62 19.855 -1.524 -4.025 527 HG2 MET 62 2HG MET 62 17.902 -2.812 -5.097 528 HG3 MET 62 1HG MET 62 18.389 -2.059 -6.614 529 HE1 MET 62 3HE MET 62 21.116 -1.918 -7.132 530 HE2 MET 62 1HE MET 62 20.052 -2.921 -8.127 531 HE3 MET 62 2HE MET 62 21.626 -3.532 -7.624 532 H LEU 63 H LEU 63 16.185 -1.630 -5.358 533 HA LEU 63 HA LEU 63 15.903 -0.027 -7.798 534 HB2 LEU 63 2HB LEU 63 15.386 -2.549 -7.526 535 HB3 LEU 63 1HB LEU 63 13.895 -2.031 -6.751 536 HG LEU 63 HG LEU 63 13.587 -0.536 -8.905 537 HD11 LEU 63 1HD1 LEU 63 14.533 -1.693 -10.934 538 HD12 LEU 63 2HD1 LEU 63 15.552 -2.648 -9.860 539 HD13 LEU 63 3HD1 LEU 63 15.753 -0.900 -9.944 540 HD21 LEU 63 3HD2 LEU 63 13.277 -3.556 -8.964 541 HD22 LEU 63 1HD2 LEU 63 12.459 -2.434 -10.052 542 HD23 LEU 63 2HD2 LEU 63 12.107 -2.402 -8.325 543 H LEU 64 H LEU 64 14.407 -0.173 -4.639 544 HA LEU 64 HA LEU 64 12.126 1.492 -5.330 545 HB2 LEU 64 2HB LEU 64 11.923 0.047 -3.422 546 HB3 LEU 64 1HB LEU 64 13.389 0.688 -2.698 547 HG LEU 64 HG LEU 64 11.277 2.734 -3.254 548 HD11 LEU 64 1HD1 LEU 64 9.932 0.773 -2.464 549 HD12 LEU 64 2HD1 LEU 64 9.883 2.142 -1.364 550 HD13 LEU 64 3HD1 LEU 64 10.898 0.752 -0.992 551 HD21 LEU 64 3HD2 LEU 64 13.319 3.332 -2.018 552 HD22 LEU 64 1HD2 LEU 64 12.992 2.073 -0.830 553 HD23 LEU 64 2HD2 LEU 64 11.924 3.467 -0.954 554 H ASP 65 H ASP 65 15.359 2.034 -3.971 555 HA ASP 65 HA ASP 65 15.149 4.715 -3.188 556 HB2 ASP 65 2HB ASP 65 17.208 3.233 -3.058 557 HB3 ASP 65 1HB ASP 65 17.484 3.594 -4.761 558 H GLN 66 H GLN 66 15.212 3.332 -6.405 559 HA GLN 66 HA GLN 66 15.551 5.906 -7.755 560 HB2 GLN 66 2HB GLN 66 14.539 3.306 -8.930 561 HB3 GLN 66 1HB GLN 66 15.257 4.663 -9.799 562 HG2 GLN 66 2HG GLN 66 17.385 4.300 -8.578 563 HG3 GLN 66 1HG GLN 66 16.665 2.913 -7.761 564 HE21 GLN 66 1HE2 GLN 66 16.478 3.958 -11.209 565 HE22 GLN 66 2HE2 GLN 66 17.068 2.496 -11.835 566 H LYS 67 H LYS 67 12.820 3.712 -7.099 567 HA LYS 67 HA LYS 67 10.908 5.454 -8.458 568 HB2 LYS 67 2HB LYS 67 10.473 3.161 -6.518 569 HB3 LYS 67 1HB LYS 67 9.213 3.932 -7.483 570 HG2 LYS 67 2HG LYS 67 10.439 3.300 -9.550 571 HG3 LYS 67 1HG LYS 67 11.641 2.469 -8.561 572 HD2 LYS 67 2HD LYS 67 9.961 0.932 -7.714 573 HD3 LYS 67 1HD LYS 67 8.680 1.819 -8.542 574 HE2 LYS 67 2HE LYS 67 9.232 -0.116 -9.887 575 HE3 LYS 67 1HE LYS 67 9.842 1.314 -10.720 576 HZ1 LYS 67 3HZ LYS 67 11.276 -0.914 -9.701 577 HZ2 LYS 67 1HZ LYS 67 11.857 0.526 -9.019 578 HZ3 LYS 67 2HZ LYS 67 11.817 0.343 -10.708 579 H TYR 68 H TYR 68 11.441 4.600 -5.033 580 HA TYR 68 HA TYR 68 9.613 6.385 -3.865 581 HB2 TYR 68 2HB TYR 68 10.633 4.848 -2.387 582 HB3 TYR 68 1HB TYR 68 12.253 5.234 -2.958 583 HD1 TYR 68 1HD TYR 68 13.340 7.373 -2.314 584 HD2 TYR 68 2HD TYR 68 9.577 6.153 -0.643 585 HE1 TYR 68 1HE TYR 68 13.610 9.036 -0.501 586 HE2 TYR 68 2HE TYR 68 9.846 7.816 1.173 587 HH TYR 68 HH TYR 68 11.044 9.570 1.899 588 H ALA 69 H ALA 69 12.959 6.969 -4.906 589 HA ALA 69 HA ALA 69 13.288 9.597 -3.966 590 HB1 ALA 69 1HB ALA 69 15.174 8.557 -4.976 591 HB2 ALA 69 2HB ALA 69 14.745 9.854 -6.089 592 HB3 ALA 69 3HB ALA 69 14.283 8.191 -6.452 593 H GLU 70 H GLU 70 11.454 8.377 -6.704 594 HA GLU 70 HA GLU 70 10.774 11.111 -7.630 595 HB2 GLU 70 2HB GLU 70 10.191 8.325 -8.664 596 HB3 GLU 70 1HB GLU 70 9.479 9.772 -9.379 597 HG2 GLU 70 2HG GLU 70 12.465 9.414 -9.016 598 HG3 GLU 70 1HG GLU 70 11.615 8.957 -10.492 599 H TYR 71 H TYR 71 9.005 8.142 -6.672 600 HA TYR 71 HA TYR 71 6.508 9.583 -6.367 601 HB2 TYR 71 2HB TYR 71 7.343 6.796 -5.551 602 HB3 TYR 71 1HB TYR 71 5.696 7.410 -5.448 603 HD1 TYR 71 2HD TYR 71 4.497 8.152 -7.526 604 HD2 TYR 71 1HD TYR 71 8.269 6.101 -7.660 605 HE1 TYR 71 2HE TYR 71 4.125 7.621 -9.920 606 HE2 TYR 71 1HE TYR 71 7.897 5.571 -10.053 607 HH TYR 71 HH TYR 71 5.164 5.532 -11.522 608 H GLY 72 H GLY 72 8.874 8.243 -4.074 609 HA2 GLY 72 2HA GLY 72 9.392 9.253 -1.945 610 HA3 GLY 72 1HA GLY 72 7.878 10.149 -2.027 611 HA PRO 73 HA PRO 73 7.061 6.512 0.677 612 HB2 PRO 73 2HB PRO 73 5.510 7.722 2.561 613 HB3 PRO 73 1HB PRO 73 7.283 7.830 2.584 614 HG2 PRO 73 2HG PRO 73 5.281 9.838 1.641 615 HG3 PRO 73 1HG PRO 73 6.794 10.091 2.531 616 HD2 PRO 73 2HD PRO 73 6.521 10.458 -0.213 617 HD3 PRO 73 1HD PRO 73 8.072 10.126 0.590 618 H LYS 74 H LYS 74 5.562 7.530 -1.764 619 HA LYS 74 HA LYS 74 2.729 7.121 -1.059 620 HB2 LYS 74 2HB LYS 74 4.248 7.566 -3.630 621 HB3 LYS 74 1HB LYS 74 2.535 7.160 -3.636 622 HG2 LYS 74 2HG LYS 74 2.083 9.124 -2.189 623 HG3 LYS 74 1HG LYS 74 3.796 9.541 -2.242 624 HD2 LYS 74 2HD LYS 74 3.694 9.850 -4.656 625 HD3 LYS 74 1HD LYS 74 2.017 9.301 -4.685 626 HE2 LYS 74 2HE LYS 74 3.033 11.758 -3.224 627 HE3 LYS 74 1HE LYS 74 2.149 11.769 -4.751 628 HZ1 LYS 74 3HZ LYS 74 0.339 11.886 -3.480 629 HZ2 LYS 74 1HZ LYS 74 1.171 11.433 -2.073 630 HZ3 LYS 74 2HZ LYS 74 0.596 10.243 -3.139 631 H TRP 75 H TRP 75 3.730 4.967 -0.083 632 HA TRP 75 HA TRP 75 4.563 2.803 -1.579 633 HB2 TRP 75 2HB TRP 75 2.481 2.384 0.553 634 HB3 TRP 75 1HB TRP 75 3.940 1.459 0.227 635 HD1 TRP 75 HD TRP 75 2.666 3.740 2.664 636 HE1 TRP 75 1HE TRP 75 4.554 4.916 3.966 637 HE3 TRP 75 3HE TRP 75 6.627 2.790 -0.429 638 HZ2 TRP 75 2HZ TRP 75 7.347 5.415 3.727 639 HZ3 TRP 75 3HZ TRP 75 8.884 3.638 0.140 640 HH2 TRP 75 HH TRP 75 9.251 4.947 2.208 641 H ASN 76 H ASN 76 1.608 4.432 -1.883 642 HA ASN 76 HA ASN 76 -0.045 2.235 -2.785 643 HB2 ASN 76 2HB ASN 76 -0.928 4.461 -2.005 644 HB3 ASN 76 1HB ASN 76 -0.299 5.175 -3.491 645 HD21 ASN 76 1HD2 ASN 76 -3.158 4.966 -2.713 646 HD22 ASN 76 2HD2 ASN 76 -3.909 4.038 -3.919 647 H LYS 77 H LYS 77 2.205 4.469 -4.315 648 HA LYS 77 HA LYS 77 1.573 3.523 -7.030 649 HB2 LYS 77 2HB LYS 77 3.861 5.230 -6.004 650 HB3 LYS 77 1HB LYS 77 3.428 4.999 -7.695 651 HG2 LYS 77 2HG LYS 77 1.444 6.110 -5.692 652 HG3 LYS 77 1HG LYS 77 2.584 7.156 -6.529 653 HD2 LYS 77 2HD LYS 77 1.704 6.201 -8.716 654 HD3 LYS 77 1HD LYS 77 0.431 5.423 -7.774 655 HE2 LYS 77 2HE LYS 77 0.986 8.397 -7.932 656 HE3 LYS 77 1HE LYS 77 -0.397 7.548 -8.623 657 HZ1 LYS 77 3HZ LYS 77 -0.449 6.772 -6.041 658 HZ2 LYS 77 1HZ LYS 77 -1.383 8.026 -6.696 659 HZ3 LYS 77 2HZ LYS 77 0.081 8.381 -5.910 660 H ILE 78 H ILE 78 3.869 2.926 -4.472 661 HA ILE 78 HA ILE 78 5.711 1.370 -6.101 662 HB ILE 78 HB ILE 78 5.384 1.242 -3.097 663 HG12 ILE 78 2HG1 ILE 78 5.409 3.594 -3.623 664 HG13 ILE 78 1HG1 ILE 78 7.015 3.165 -3.042 665 HG21 ILE 78 1HG2 ILE 78 7.679 0.646 -3.077 666 HG22 ILE 78 2HG2 ILE 78 7.919 1.156 -4.748 667 HG23 ILE 78 3HG2 ILE 78 6.982 -0.295 -4.392 668 HD11 ILE 78 3HD1 ILE 78 7.402 4.503 -4.962 669 HD12 ILE 78 1HD1 ILE 78 6.128 3.701 -5.879 670 HD13 ILE 78 2HD1 ILE 78 7.632 2.850 -5.527 671 H SER 79 H SER 79 3.342 0.560 -3.575 672 HA SER 79 HA SER 79 3.506 -2.221 -3.636 673 HB2 SER 79 2HB SER 79 2.044 -0.803 -2.127 674 HB3 SER 79 1HB SER 79 0.886 -0.724 -3.452 675 HG SER 79 HG SER 79 1.146 -3.135 -3.420 676 H LYS 80 H LYS 80 2.163 -0.153 -6.118 677 HA LYS 80 HA LYS 80 0.690 -2.351 -7.386 678 HB2 LYS 80 2HB LYS 80 -0.103 -0.772 -8.892 679 HB3 LYS 80 1HB LYS 80 0.282 0.262 -7.525 680 HG2 LYS 80 2HG LYS 80 1.350 1.483 -9.187 681 HG3 LYS 80 1HG LYS 80 2.667 0.401 -8.771 682 HD2 LYS 80 2HD LYS 80 2.659 0.079 -11.075 683 HD3 LYS 80 1HD LYS 80 1.493 -1.162 -10.629 684 HE2 LYS 80 2HE LYS 80 0.973 1.581 -11.778 685 HE3 LYS 80 1HE LYS 80 0.417 0.017 -12.371 686 HZ1 LYS 80 3HZ LYS 80 -1.286 1.397 -11.191 687 HZ2 LYS 80 1HZ LYS 80 -0.413 1.142 -9.759 688 HZ3 LYS 80 2HZ LYS 80 -1.090 -0.179 -10.586 689 H PHE 81 H PHE 81 3.896 -1.045 -7.467 690 HA PHE 81 HA PHE 81 4.621 -2.350 -9.988 691 HB2 PHE 81 2HB PHE 81 6.073 -0.808 -7.837 692 HB3 PHE 81 1HB PHE 81 7.015 -1.786 -8.960 693 HD1 PHE 81 2HD PHE 81 6.258 -1.525 -11.521 694 HD2 PHE 81 1HD PHE 81 5.670 1.436 -8.463 695 HE1 PHE 81 2HE PHE 81 6.084 0.236 -13.256 696 HE2 PHE 81 1HE PHE 81 5.496 3.195 -10.199 697 HZ PHE 81 HZ PHE 81 5.702 2.596 -12.595 698 H LEU 82 H LEU 82 3.976 -3.291 -6.862 699 HA LEU 82 HA LEU 82 5.717 -5.749 -7.048 700 HB2 LEU 82 2HB LEU 82 4.348 -4.674 -4.567 701 HB3 LEU 82 1HB LEU 82 5.634 -5.876 -4.657 702 HG LEU 82 HG LEU 82 5.937 -2.976 -5.509 703 HD11 LEU 82 1HD1 LEU 82 5.600 -3.176 -3.090 704 HD12 LEU 82 2HD1 LEU 82 7.252 -2.700 -3.464 705 HD13 LEU 82 3HD1 LEU 82 6.897 -4.363 -3.002 706 HD21 LEU 82 3HD2 LEU 82 7.848 -5.315 -5.288 707 HD22 LEU 82 1HD2 LEU 82 8.414 -3.645 -5.324 708 HD23 LEU 82 2HD2 LEU 82 7.530 -4.304 -6.697 709 H LYS 83 H LYS 83 2.578 -4.838 -5.577 710 HA LYS 83 HA LYS 83 0.478 -5.813 -5.785 711 HB2 LYS 83 2HB LYS 83 1.476 -6.174 -8.257 712 HB3 LYS 83 1HB LYS 83 1.439 -7.863 -7.773 713 HG2 LYS 83 2HG LYS 83 -0.938 -7.763 -7.342 714 HG3 LYS 83 1HG LYS 83 -0.969 -6.018 -7.574 715 HD2 LYS 83 2HD LYS 83 -0.193 -8.017 -9.723 716 HD3 LYS 83 1HD LYS 83 -1.791 -7.295 -9.567 717 HE2 LYS 83 2HE LYS 83 -0.374 -5.010 -9.600 718 HE3 LYS 83 1HE LYS 83 0.774 -6.027 -10.473 719 HZ1 LYS 83 3HZ LYS 83 -0.939 -6.612 -12.035 720 HZ2 LYS 83 1HZ LYS 83 -0.816 -4.923 -11.944 721 HZ3 LYS 83 2HZ LYS 83 -2.097 -5.721 -11.166 722 H ASN 84 H ASN 84 3.228 -7.121 -4.683 723 HA ASN 84 HA ASN 84 1.871 -9.557 -3.577 724 HB2 ASN 84 2HB ASN 84 4.777 -9.057 -4.269 725 HB3 ASN 84 1HB ASN 84 4.229 -10.435 -3.313 726 HD21 ASN 84 1HD2 ASN 84 1.785 -9.695 -5.500 727 HD22 ASN 84 2HD2 ASN 84 2.197 -10.785 -6.733 728 H ARG 85 H ARG 85 3.411 -6.574 -2.990 729 HA ARG 85 HA ARG 85 3.764 -7.139 -0.062 730 HB2 ARG 85 2HB ARG 85 4.903 -5.119 -1.992 731 HB3 ARG 85 1HB ARG 85 4.918 -4.795 -0.264 732 HG2 ARG 85 2HG ARG 85 7.023 -5.855 -1.168 733 HG3 ARG 85 1HG ARG 85 6.281 -6.719 0.176 734 HD2 ARG 85 2HD ARG 85 5.446 -8.422 -1.245 735 HD3 ARG 85 1HD ARG 85 5.675 -7.444 -2.697 736 HE ARG 85 HE ARG 85 8.237 -7.696 -1.752 737 HH11 ARG 85 1HH2 ARG 85 5.646 -9.900 -2.308 738 HH12 ARG 85 2HH2 ARG 85 6.684 -11.227 -2.710 739 HH21 ARG 85 1HH1 ARG 85 9.608 -9.417 -2.269 740 HH22 ARG 85 2HH1 ARG 85 8.926 -10.953 -2.687 741 H SER 86 H SER 86 3.140 -5.163 1.297 742 HA SER 86 HA SER 86 0.630 -3.889 0.251 743 HB2 SER 86 2HB SER 86 -0.249 -5.331 1.863 744 HB3 SER 86 1HB SER 86 1.207 -5.274 2.849 745 HG SER 86 HG SER 86 0.572 -3.406 3.704 746 H ASP 87 H ASP 87 0.282 -1.804 0.962 747 HA ASP 87 HA ASP 87 2.540 -0.131 1.197 748 HB2 ASP 87 2HB ASP 87 0.825 1.597 2.037 749 HB3 ASP 87 1HB ASP 87 0.515 0.886 0.452 750 H ASN 88 H ASN 88 0.744 -1.905 3.547 751 HA ASN 88 HA ASN 88 1.775 -0.462 5.867 752 HB2 ASN 88 2HB ASN 88 -0.376 -1.808 5.825 753 HB3 ASN 88 1HB ASN 88 0.619 -3.264 5.771 754 HD21 ASN 88 1HD2 ASN 88 1.289 -4.079 7.769 755 HD22 ASN 88 2HD2 ASN 88 1.245 -3.216 9.230 756 H ASN 89 H ASN 89 2.751 -3.169 3.851 757 HA ASN 89 HA ASN 89 4.828 -4.067 5.723 758 HB2 ASN 89 2HB ASN 89 3.535 -5.532 4.058 759 HB3 ASN 89 1HB ASN 89 4.509 -4.786 2.793 760 HD21 ASN 89 1HD2 ASN 89 5.098 -7.322 2.754 761 HD22 ASN 89 2HD2 ASN 89 6.471 -7.740 3.658 762 H ILE 90 H ILE 90 4.639 -2.419 2.586 763 HA ILE 90 HA ILE 90 7.415 -2.030 2.196 764 HB ILE 90 HB ILE 90 5.105 -0.254 1.361 765 HG12 ILE 90 2HG1 ILE 90 6.493 -2.521 -0.092 766 HG13 ILE 90 1HG1 ILE 90 4.949 -2.674 0.730 767 HG21 ILE 90 1HG2 ILE 90 7.917 -0.560 0.244 768 HG22 ILE 90 2HG2 ILE 90 7.300 0.854 1.094 769 HG23 ILE 90 3HG2 ILE 90 6.639 0.414 -0.479 770 HD11 ILE 90 3HD1 ILE 90 4.273 -0.620 -0.799 771 HD12 ILE 90 1HD1 ILE 90 4.243 -2.260 -1.426 772 HD13 ILE 90 2HD1 ILE 90 5.605 -1.204 -1.792 773 H ARG 91 H ARG 91 5.039 0.277 3.542 774 HA ARG 91 HA ARG 91 6.874 2.272 4.350 775 HB2 ARG 91 2HB ARG 91 4.336 2.378 4.426 776 HB3 ARG 91 1HB ARG 91 4.409 1.431 5.902 777 HG2 ARG 91 2HG ARG 91 6.019 3.240 6.789 778 HG3 ARG 91 1HG ARG 91 5.497 4.213 5.413 779 HD2 ARG 91 2HD ARG 91 3.108 3.815 6.183 780 HD3 ARG 91 1HD ARG 91 3.786 3.127 7.660 781 HE ARG 91 HE ARG 91 4.289 5.317 8.371 782 HH11 ARG 91 1HH2 ARG 91 3.755 5.156 4.967 783 HH12 ARG 91 2HH2 ARG 91 3.835 6.871 4.740 784 HH21 ARG 91 1HH1 ARG 91 4.396 7.557 8.093 785 HH22 ARG 91 2HH1 ARG 91 4.198 8.230 6.509 786 H ASN 92 H ASN 92 5.966 -0.769 5.814 787 HA ASN 92 HA ASN 92 7.306 -0.288 8.343 788 HB2 ASN 92 2HB ASN 92 5.484 -1.935 8.141 789 HB3 ASN 92 1HB ASN 92 6.483 -2.910 7.064 790 HD21 ASN 92 1HD2 ASN 92 6.154 -4.591 8.876 791 HD22 ASN 92 2HD2 ASN 92 7.233 -4.549 10.186 792 H ARG 93 H ARG 93 8.238 -2.044 5.343 793 HA ARG 93 HA ARG 93 10.781 -2.880 6.460 794 HB2 ARG 93 2HB ARG 93 9.552 -2.833 3.729 795 HB3 ARG 93 1HB ARG 93 11.309 -2.905 3.800 796 HG2 ARG 93 2HG ARG 93 10.162 -5.154 3.699 797 HG3 ARG 93 1HG ARG 93 11.276 -4.945 5.047 798 HD2 ARG 93 2HD ARG 93 8.428 -4.215 5.575 799 HD3 ARG 93 1HD ARG 93 8.774 -5.923 5.381 800 HE ARG 93 HE ARG 93 10.659 -4.675 7.183 801 HH11 ARG 93 1HH2 ARG 93 7.458 -5.907 6.821 802 HH12 ARG 93 2HH2 ARG 93 7.281 -6.309 8.496 803 HH21 ARG 93 1HH1 ARG 93 10.444 -5.194 9.373 804 HH22 ARG 93 2HH1 ARG 93 8.972 -5.905 9.941 805 H TRP 94 H TRP 94 9.948 -0.246 4.173 806 HA TRP 94 HA TRP 94 12.461 0.963 3.975 807 HB2 TRP 94 2HB TRP 94 10.478 1.719 2.702 808 HB3 TRP 94 1HB TRP 94 9.776 2.363 4.186 809 HD1 TRP 94 HD TRP 94 10.415 4.750 4.831 810 HE1 TRP 94 1HE TRP 94 12.148 6.468 4.000 811 HE3 TRP 94 3HE TRP 94 13.064 1.833 1.582 812 HZ2 TRP 94 2HZ TRP 94 14.365 6.590 2.196 813 HZ3 TRP 94 3HZ TRP 94 14.979 2.775 0.321 814 HH2 TRP 94 HH TRP 94 15.632 5.147 0.624 815 H MET 95 H MET 95 10.089 1.159 6.586 816 HA MET 95 HA MET 95 11.432 3.230 8.068 817 HB2 MET 95 2HB MET 95 9.055 2.510 8.445 818 HB3 MET 95 1HB MET 95 9.668 1.013 9.146 819 HG2 MET 95 2HG MET 95 10.840 2.258 10.886 820 HG3 MET 95 1HG MET 95 10.362 3.787 10.151 821 HE1 MET 95 3HE MET 95 9.329 1.304 12.999 822 HE2 MET 95 1HE MET 95 9.331 0.478 11.435 823 HE3 MET 95 2HE MET 95 7.823 0.694 12.320 824 H MET 96 H MET 96 11.891 -0.221 7.745 825 HA MET 96 HA MET 96 13.630 -0.449 10.092 826 HB2 MET 96 2HB MET 96 12.205 -2.332 9.145 827 HB3 MET 96 1HB MET 96 13.334 -2.402 7.793 828 HG2 MET 96 2HG MET 96 14.076 -4.038 9.386 829 HG3 MET 96 1HG MET 96 15.194 -2.678 9.507 830 HE1 MET 96 3HE MET 96 15.445 -4.531 11.465 831 HE2 MET 96 1HE MET 96 13.837 -5.186 11.809 832 HE3 MET 96 2HE MET 96 14.718 -4.303 13.053 833 H ILE 97 H ILE 97 14.008 -0.315 6.556 834 HA ILE 97 HA ILE 97 16.922 -0.423 6.735 835 HB ILE 97 HB ILE 97 14.944 -0.002 4.482 836 HG12 ILE 97 2HG1 ILE 97 15.877 -2.101 3.669 837 HG13 ILE 97 1HG1 ILE 97 17.101 -2.085 4.937 838 HG21 ILE 97 1HG2 ILE 97 17.029 -0.085 2.974 839 HG22 ILE 97 2HG2 ILE 97 17.954 0.324 4.418 840 HG23 ILE 97 3HG2 ILE 97 16.728 1.437 3.811 841 HD11 ILE 97 3HD1 ILE 97 15.031 -3.570 5.320 842 HD12 ILE 97 1HD1 ILE 97 14.153 -2.068 5.587 843 HD13 ILE 97 2HD1 ILE 97 15.502 -2.499 6.637 844 H ALA 98 H ALA 98 14.434 2.019 6.554 845 HA ALA 98 HA ALA 98 16.013 4.241 5.762 846 HB1 ALA 98 1HB ALA 98 13.594 4.052 7.571 847 HB2 ALA 98 2HB ALA 98 13.642 4.569 5.886 848 HB3 ALA 98 3HB ALA 98 14.335 5.593 7.141 849 H ARG 99 H ARG 99 16.105 2.312 8.566 850 HA ARG 99 HA ARG 99 17.097 4.277 10.406 851 HB2 ARG 99 2HB ARG 99 17.255 1.255 10.335 852 HB3 ARG 99 1HB ARG 99 17.962 2.205 11.643 853 HG2 ARG 99 2HG ARG 99 15.746 3.224 12.084 854 HG3 ARG 99 1HG ARG 99 15.048 2.228 10.809 855 HD2 ARG 99 2HD ARG 99 16.315 1.277 13.389 856 HD3 ARG 99 1HD ARG 99 14.630 1.101 12.897 857 HE ARG 99 HE ARG 99 16.060 -0.192 10.897 858 HH11 ARG 99 1HH2 ARG 99 15.851 -0.330 14.337 859 HH12 ARG 99 2HH2 ARG 99 16.220 -2.019 14.424 860 HH21 ARG 99 1HH1 ARG 99 16.543 -2.398 10.992 861 HH22 ARG 99 2HH1 ARG 99 16.611 -3.190 12.531 862 H HIS 100 H HIS 100 18.438 2.529 7.770 863 HA HIS 100 HA HIS 100 21.220 2.821 8.646 864 HB2 HIS 100 2HB HIS 100 20.492 0.899 7.237 865 HB3 HIS 100 1HB HIS 100 20.098 2.029 5.941 866 HD1 HIS 100 1HD HIS 100 21.925 2.173 4.263 867 HD2 HIS 100 2HD HIS 100 23.432 1.493 8.093 868 HE1 HIS 100 1HE HIS 100 24.446 2.062 4.032 869 HE2 HIS 100 2HE HIS 100 25.373 1.648 6.358 870 H ARG 101 H ARG 101 18.973 4.346 6.378 871 HA ARG 101 HA ARG 101 21.003 6.252 5.439 872 HB2 ARG 101 2HB ARG 101 18.018 6.044 4.949 873 HB3 ARG 101 1HB ARG 101 19.067 7.242 4.190 874 HG2 ARG 101 2HG ARG 101 20.471 5.329 3.317 875 HG3 ARG 101 1HG ARG 101 19.221 4.231 3.903 876 HD2 ARG 101 2HD ARG 101 18.780 4.678 1.566 877 HD3 ARG 101 1HD ARG 101 17.550 5.507 2.519 878 HE ARG 101 HE ARG 101 19.572 7.395 2.170 879 HH11 ARG 101 1HH2 ARG 101 17.584 5.390 0.191 880 HH12 ARG 101 2HH2 ARG 101 17.553 6.502 -1.136 881 HH21 ARG 101 1HH1 ARG 101 19.544 8.858 0.449 882 HH22 ARG 101 2HH1 ARG 101 18.663 8.466 -0.990 883 H ALA 102 H ALA 102 18.762 6.010 8.022 884 HA ALA 102 HA ALA 102 18.073 8.737 8.437 885 HB1 ALA 102 1HB ALA 102 17.836 8.049 10.854 886 HB2 ALA 102 2HB ALA 102 18.507 6.480 10.411 887 HB3 ALA 102 3HB ALA 102 16.974 7.009 9.720 888 H LYS 103 H LYS 103 21.049 6.989 9.032 889 HA LYS 103 HA LYS 103 22.193 9.154 10.676 890 HB2 LYS 103 2HB LYS 103 23.237 6.520 9.604 891 HB3 LYS 103 1HB LYS 103 24.268 7.667 10.461 892 HG2 LYS 103 2HG LYS 103 22.970 7.492 12.463 893 HG3 LYS 103 1HG LYS 103 21.668 6.647 11.627 894 HD2 LYS 103 2HD LYS 103 22.971 5.032 12.907 895 HD3 LYS 103 1HD LYS 103 23.228 4.748 11.187 896 HE2 LYS 103 2HE LYS 103 25.388 5.737 11.234 897 HE3 LYS 103 1HE LYS 103 25.096 6.501 12.798 898 HZ1 LYS 103 3HZ LYS 103 26.499 4.387 12.733 899 HZ2 LYS 103 1HZ LYS 103 25.034 3.565 12.496 900 HZ3 LYS 103 2HZ LYS 103 25.272 4.486 13.903 901 H HIS 104 H HIS 104 22.524 7.794 7.406 902 HA HIS 104 HA HIS 104 24.648 9.585 6.623 903 HB2 HIS 104 2HB HIS 104 22.648 8.082 4.906 904 HB3 HIS 104 1HB HIS 104 24.138 8.830 4.331 905 HD1 HIS 104 1HD HIS 104 24.367 6.063 3.698 906 HD2 HIS 104 2HD HIS 104 25.023 7.280 7.634 907 HE1 HIS 104 1HE HIS 104 25.693 4.211 4.811 908 HE2 HIS 104 2HE HIS 104 26.097 4.942 7.207 909 H GLN 105 H GLN 105 21.497 10.214 7.406 910 HA GLN 105 HA GLN 105 20.749 12.060 5.317 911 HB2 GLN 105 2HB GLN 105 19.189 10.969 7.009 912 HB3 GLN 105 1HB GLN 105 19.819 12.098 8.205 913 HG2 GLN 105 2HG GLN 105 18.634 13.027 5.574 914 HG3 GLN 105 1HG GLN 105 17.656 12.794 7.019 915 HE21 GLN 105 1HE2 GLN 105 19.097 15.222 5.363 916 HE22 GLN 105 2HE2 GLN 105 19.515 16.259 6.640 917 H LYS 106 H LYS 106 22.692 12.297 8.224 918 HA LYS 106 HA LYS 106 23.745 14.866 7.372 919 HB2 LYS 106 2HB LYS 106 21.706 15.724 8.352 920 HB3 LYS 106 1HB LYS 106 21.910 14.719 9.784 921 HG2 LYS 106 2HG LYS 106 22.541 17.133 10.122 922 HG3 LYS 106 1HG LYS 106 23.834 16.000 10.498 923 HD2 LYS 106 2HD LYS 106 25.011 16.498 8.493 924 HD3 LYS 106 1HD LYS 106 23.602 17.266 7.757 925 HE2 LYS 106 2HE LYS 106 23.744 19.127 9.315 926 HE3 LYS 106 1HE LYS 106 25.043 18.332 10.205 927 HZ1 LYS 106 3HZ LYS 106 25.560 20.106 8.379 928 HZ2 LYS 106 1HZ LYS 106 25.384 18.786 7.329 929 HZ3 LYS 106 2HZ LYS 106 26.551 18.738 8.564 930 H SER 107 H SER 107 23.303 12.772 10.241 931 HA SER 107 HA SER 107 24.853 12.093 11.871 932 HB2 SER 107 2HB SER 107 25.585 10.583 10.207 933 HB3 SER 107 1HB SER 107 26.307 11.867 9.242 934 HG SER 107 HG SER 107 27.203 10.706 11.654 Start of MODEL 12 1 H1 LYS 1 1HT LYS 1 -1.905 10.107 1.199 2 H2 LYS 1 2HT LYS 1 -0.526 9.374 0.529 3 H3 LYS 1 3HT LYS 1 -0.696 9.486 2.216 4 HA LYS 1 HA LYS 1 -1.178 7.246 1.138 5 HB2 LYS 1 2HB LYS 1 -3.057 6.864 2.718 6 HB3 LYS 1 1HB LYS 1 -1.754 7.788 3.464 7 HG2 LYS 1 2HG LYS 1 -3.002 9.891 2.891 8 HG3 LYS 1 1HG LYS 1 -4.344 8.887 2.342 9 HD2 LYS 1 2HD LYS 1 -4.350 7.808 4.630 10 HD3 LYS 1 1HD LYS 1 -3.193 9.038 5.139 11 HE2 LYS 1 2HE LYS 1 -5.916 9.641 3.951 12 HE3 LYS 1 1HE LYS 1 -5.558 9.647 5.677 13 HZ1 LYS 1 2HZ LYS 1 -3.593 11.180 4.545 14 HZ2 LYS 1 3HZ LYS 1 -4.943 11.747 5.406 15 HZ3 LYS 1 1HZ LYS 1 -5.005 11.635 3.715 16 H VAL 2 H VAL 2 -4.023 6.606 1.204 17 HA VAL 2 HA VAL 2 -4.654 7.261 -1.594 18 HB VAL 2 HB VAL 2 -4.951 4.970 -0.542 19 HG11 VAL 2 1HG1 VAL 2 -7.437 6.165 0.701 20 HG12 VAL 2 2HG1 VAL 2 -5.933 5.965 1.600 21 HG13 VAL 2 3HG1 VAL 2 -6.764 4.557 0.948 22 HG21 VAL 2 3HG2 VAL 2 -6.161 5.805 -2.639 23 HG22 VAL 2 1HG2 VAL 2 -7.557 6.092 -1.602 24 HG23 VAL 2 2HG2 VAL 2 -6.922 4.461 -1.793 25 H LYS 3 H LYS 3 -7.065 7.856 -2.025 26 HA LYS 3 HA LYS 3 -7.615 10.424 -1.008 27 HB2 LYS 3 2HB LYS 3 -9.768 8.503 -1.928 28 HB3 LYS 3 1HB LYS 3 -9.748 10.260 -2.071 29 HG2 LYS 3 2HG LYS 3 -7.959 8.298 -3.538 30 HG3 LYS 3 1HG LYS 3 -9.223 9.308 -4.239 31 HD2 LYS 3 2HD LYS 3 -7.879 11.318 -3.325 32 HD3 LYS 3 1HD LYS 3 -6.559 10.172 -3.092 33 HE2 LYS 3 2HE LYS 3 -6.692 9.559 -5.495 34 HE3 LYS 3 1HE LYS 3 -7.960 10.765 -5.715 35 HZ1 LYS 3 3HZ LYS 3 -6.001 11.847 -6.313 36 HZ2 LYS 3 1HZ LYS 3 -5.118 11.188 -5.023 37 HZ3 LYS 3 2HZ LYS 3 -6.289 12.383 -4.727 38 H PHE 4 H PHE 4 -9.079 7.308 0.017 39 HA PHE 4 HA PHE 4 -10.432 8.636 2.254 40 HB2 PHE 4 2HB PHE 4 -11.027 6.242 2.888 41 HB3 PHE 4 1HB PHE 4 -11.653 6.820 1.366 42 HD1 PHE 4 1HD PHE 4 -10.363 6.283 -0.757 43 HD2 PHE 4 2HD PHE 4 -9.675 4.271 2.973 44 HE1 PHE 4 1HE PHE 4 -9.334 4.388 -1.979 45 HE2 PHE 4 2HE PHE 4 -8.639 2.376 1.752 46 HZ PHE 4 HZ PHE 4 -8.479 2.431 -0.725 47 H THR 5 H THR 5 -10.072 7.941 4.517 48 HA THR 5 HA THR 5 -7.212 8.032 5.126 49 HB THR 5 HB THR 5 -8.674 9.376 6.485 50 HG1 THR 5 1HG THR 5 -7.662 7.098 7.817 51 HG21 THR 5 3HG2 THR 5 -10.044 6.766 7.169 52 HG22 THR 5 1HG2 THR 5 -10.732 8.077 6.214 53 HG23 THR 5 2HG2 THR 5 -10.390 8.320 7.926 54 H GLU 6 H GLU 6 -6.235 6.598 6.693 55 HA GLU 6 HA GLU 6 -6.243 3.897 5.958 56 HB2 GLU 6 2HB GLU 6 -5.613 5.023 8.704 57 HB3 GLU 6 1HB GLU 6 -5.094 3.453 8.091 58 HG2 GLU 6 2HG GLU 6 -4.406 6.088 6.762 59 HG3 GLU 6 1HG GLU 6 -3.341 5.252 7.893 60 H GLU 7 H GLU 7 -8.090 5.434 8.610 61 HA GLU 7 HA GLU 7 -9.271 3.178 9.757 62 HB2 GLU 7 2HB GLU 7 -10.791 5.727 9.162 63 HB3 GLU 7 1HB GLU 7 -11.048 4.608 10.500 64 HG2 GLU 7 2HG GLU 7 -8.694 5.129 11.269 65 HG3 GLU 7 1HG GLU 7 -8.656 6.409 10.055 66 H GLU 8 H GLU 8 -10.186 4.827 6.742 67 HA GLU 8 HA GLU 8 -12.544 3.220 6.308 68 HB2 GLU 8 2HB GLU 8 -10.912 5.171 4.787 69 HB3 GLU 8 1HB GLU 8 -11.885 4.079 3.806 70 HG2 GLU 8 2HG GLU 8 -13.118 6.155 4.314 71 HG3 GLU 8 1HG GLU 8 -13.897 4.766 5.071 72 H ASP 9 H ASP 9 -9.154 3.024 5.203 73 HA ASP 9 HA ASP 9 -9.334 0.829 3.455 74 HB2 ASP 9 2HB ASP 9 -7.196 1.946 3.836 75 HB3 ASP 9 1HB ASP 9 -7.169 1.392 5.508 76 H LEU 10 H LEU 10 -9.695 0.919 6.927 77 HA LEU 10 HA LEU 10 -9.517 -1.974 7.289 78 HB2 LEU 10 2HB LEU 10 -11.061 -0.179 9.174 79 HB3 LEU 10 1HB LEU 10 -10.036 -1.566 9.549 80 HG LEU 10 HG LEU 10 -9.107 1.150 8.604 81 HD11 LEU 10 1HD1 LEU 10 -9.844 1.006 10.972 82 HD12 LEU 10 2HD1 LEU 10 -8.120 1.343 10.812 83 HD13 LEU 10 3HD1 LEU 10 -8.666 -0.282 11.226 84 HD21 LEU 10 3HD2 LEU 10 -7.608 -1.420 9.145 85 HD22 LEU 10 1HD2 LEU 10 -6.815 0.154 9.099 86 HD23 LEU 10 2HD2 LEU 10 -7.613 -0.473 7.658 87 H LYS 11 H LYS 11 -12.012 0.450 6.725 88 HA LYS 11 HA LYS 11 -14.297 -1.218 7.012 89 HB2 LYS 11 2HB LYS 11 -14.054 1.382 6.578 90 HB3 LYS 11 1HB LYS 11 -14.148 0.925 4.879 91 HG2 LYS 11 2HG LYS 11 -16.267 -0.339 5.437 92 HG3 LYS 11 1HG LYS 11 -16.196 0.385 7.044 93 HD2 LYS 11 2HD LYS 11 -16.101 2.653 5.893 94 HD3 LYS 11 1HD LYS 11 -16.487 1.814 4.389 95 HE2 LYS 11 2HE LYS 11 -18.516 0.852 5.570 96 HE3 LYS 11 1HE LYS 11 -18.172 1.957 6.900 97 HZ1 LYS 11 3HZ LYS 11 -18.522 2.841 4.092 98 HZ2 LYS 11 1HZ LYS 11 -18.447 3.815 5.479 99 HZ3 LYS 11 2HZ LYS 11 -19.788 2.803 5.224 100 H LEU 12 H LEU 12 -12.061 -0.693 4.304 101 HA LEU 12 HA LEU 12 -13.463 -2.163 2.322 102 HB2 LEU 12 2HB LEU 12 -10.576 -1.473 2.808 103 HB3 LEU 12 1HB LEU 12 -10.943 -2.655 1.563 104 HG LEU 12 HG LEU 12 -12.415 -1.037 0.445 105 HD11 LEU 12 1HD1 LEU 12 -11.590 0.736 2.756 106 HD12 LEU 12 2HD1 LEU 12 -13.225 0.235 2.329 107 HD13 LEU 12 3HD1 LEU 12 -12.341 1.348 1.285 108 HD21 LEU 12 3HD2 LEU 12 -10.007 -1.094 -0.120 109 HD22 LEU 12 1HD2 LEU 12 -9.685 0.098 1.140 110 HD23 LEU 12 2HD2 LEU 12 -10.651 0.542 -0.267 111 H GLN 13 H GLN 13 -11.088 -3.225 4.783 112 HA GLN 13 HA GLN 13 -10.914 -5.925 4.009 113 HB2 GLN 13 2HB GLN 13 -9.628 -4.822 5.881 114 HB3 GLN 13 1HB GLN 13 -11.076 -4.940 6.878 115 HG2 GLN 13 2HG GLN 13 -9.866 -7.375 5.537 116 HG3 GLN 13 1HG GLN 13 -9.328 -6.824 7.121 117 HE21 GLN 13 1HE2 GLN 13 -11.504 -6.213 8.552 118 HE22 GLN 13 2HE2 GLN 13 -12.638 -7.476 8.591 119 H GLN 14 H GLN 14 -13.463 -4.284 5.852 120 HA GLN 14 HA GLN 14 -14.933 -6.790 6.323 121 HB2 GLN 14 2HB GLN 14 -15.900 -3.943 6.600 122 HB3 GLN 14 1HB GLN 14 -16.632 -5.385 7.303 123 HG2 GLN 14 2HG GLN 14 -14.618 -5.774 8.655 124 HG3 GLN 14 1HG GLN 14 -13.846 -4.363 7.931 125 HE21 GLN 14 1HE2 GLN 14 -17.288 -4.221 8.596 126 HE22 GLN 14 2HE2 GLN 14 -17.182 -3.176 9.931 127 H LEU 15 H LEU 15 -15.614 -3.850 4.374 128 HA LEU 15 HA LEU 15 -17.938 -4.900 3.110 129 HB2 LEU 15 2HB LEU 15 -15.943 -2.913 1.977 130 HB3 LEU 15 1HB LEU 15 -17.610 -3.120 1.452 131 HG LEU 15 HG LEU 15 -16.802 -2.332 4.267 132 HD11 LEU 15 1HD1 LEU 15 -17.658 -0.660 1.891 133 HD12 LEU 15 2HD1 LEU 15 -16.151 -0.540 2.799 134 HD13 LEU 15 3HD1 LEU 15 -17.674 -0.064 3.550 135 HD21 LEU 15 3HD2 LEU 15 -19.289 -1.536 4.210 136 HD22 LEU 15 1HD2 LEU 15 -18.980 -3.259 4.389 137 HD23 LEU 15 2HD2 LEU 15 -19.450 -2.606 2.820 138 H VAL 16 H VAL 16 -14.605 -4.699 1.880 139 HA VAL 16 HA VAL 16 -15.028 -6.166 -0.497 140 HB VAL 16 HB VAL 16 -12.512 -6.174 1.196 141 HG11 VAL 16 1HG1 VAL 16 -12.533 -7.800 -0.653 142 HG12 VAL 16 2HG1 VAL 16 -11.404 -6.486 -0.983 143 HG13 VAL 16 3HG1 VAL 16 -12.977 -6.515 -1.776 144 HG21 VAL 16 3HG2 VAL 16 -13.290 -4.244 -1.006 145 HG22 VAL 16 1HG2 VAL 16 -11.862 -4.162 0.017 146 HG23 VAL 16 2HG2 VAL 16 -13.457 -3.862 0.697 147 H MET 17 H MET 17 -14.590 -7.253 2.854 148 HA MET 17 HA MET 17 -14.125 -10.015 2.145 149 HB2 MET 17 2HB MET 17 -13.488 -9.395 4.344 150 HB3 MET 17 1HB MET 17 -15.031 -8.613 4.666 151 HG2 MET 17 2HG MET 17 -16.161 -10.697 4.846 152 HG3 MET 17 1HG MET 17 -14.814 -11.577 4.125 153 HE1 MET 17 3HE MET 17 -14.709 -13.036 7.649 154 HE2 MET 17 1HE MET 17 -14.482 -13.355 5.924 155 HE3 MET 17 2HE MET 17 -16.026 -12.744 6.515 156 H ARG 18 H ARG 18 -17.007 -8.008 2.556 157 HA ARG 18 HA ARG 18 -18.820 -10.319 2.476 158 HB2 ARG 18 2HB ARG 18 -19.291 -8.060 3.614 159 HB3 ARG 18 1HB ARG 18 -19.572 -7.422 1.994 160 HG2 ARG 18 2HG ARG 18 -21.324 -9.102 1.613 161 HG3 ARG 18 1HG ARG 18 -21.019 -9.803 3.202 162 HD2 ARG 18 2HD ARG 18 -22.886 -8.393 3.554 163 HD3 ARG 18 1HD ARG 18 -21.524 -7.428 4.125 164 HE ARG 18 HE ARG 18 -21.950 -5.921 2.363 165 HH11 ARG 18 1HH2 ARG 18 -23.357 -9.017 1.781 166 HH12 ARG 18 2HH2 ARG 18 -24.190 -8.517 0.348 167 HH21 ARG 18 1HH1 ARG 18 -23.035 -5.251 0.497 168 HH22 ARG 18 2HH1 ARG 18 -24.008 -6.386 -0.380 169 H TYR 19 H TYR 19 -17.422 -8.028 0.203 170 HA TYR 19 HA TYR 19 -19.116 -9.065 -2.022 171 HB2 TYR 19 2HB TYR 19 -17.019 -6.868 -1.967 172 HB3 TYR 19 1HB TYR 19 -18.042 -7.278 -3.342 173 HD1 TYR 19 2HD TYR 19 -20.645 -7.418 -2.776 174 HD2 TYR 19 1HD TYR 19 -17.770 -5.130 -0.549 175 HE1 TYR 19 2HE TYR 19 -22.466 -6.003 -1.875 176 HE2 TYR 19 1HE TYR 19 -19.595 -3.718 0.349 177 HH TYR 19 HH TYR 19 -22.531 -3.472 -0.937 178 H GLY 20 H GLY 20 -16.191 -9.734 -0.505 179 HA2 GLY 20 2HA GLY 20 -14.604 -11.392 -1.080 180 HA3 GLY 20 1HA GLY 20 -15.375 -11.544 -2.661 181 H ALA 21 H ALA 21 -15.133 -9.493 -4.036 182 HA ALA 21 HA ALA 21 -13.323 -7.464 -3.917 183 HB1 ALA 21 1HB ALA 21 -11.242 -8.662 -5.092 184 HB2 ALA 21 2HB ALA 21 -11.866 -10.079 -4.250 185 HB3 ALA 21 3HB ALA 21 -11.383 -8.651 -3.338 186 H LYS 22 H LYS 22 -15.569 -7.911 -5.373 187 HA LYS 22 HA LYS 22 -14.571 -7.633 -8.155 188 HB2 LYS 22 2HB LYS 22 -16.324 -9.260 -8.967 189 HB3 LYS 22 1HB LYS 22 -14.984 -9.991 -8.082 190 HG2 LYS 22 2HG LYS 22 -16.299 -10.217 -6.092 191 HG3 LYS 22 1HG LYS 22 -17.583 -9.203 -6.745 192 HD2 LYS 22 2HD LYS 22 -18.274 -11.529 -6.907 193 HD3 LYS 22 1HD LYS 22 -17.971 -10.911 -8.530 194 HE2 LYS 22 2HE LYS 22 -15.908 -12.070 -8.707 195 HE3 LYS 22 1HE LYS 22 -15.821 -12.360 -6.969 196 HZ1 LYS 22 3HZ LYS 22 -17.960 -13.469 -8.695 197 HZ2 LYS 22 1HZ LYS 22 -17.596 -13.892 -7.093 198 HZ3 LYS 22 2HZ LYS 22 -16.522 -14.304 -8.343 199 H ASP 23 H ASP 23 -16.905 -6.869 -5.733 200 HA ASP 23 HA ASP 23 -18.658 -5.484 -7.733 201 HB2 ASP 23 2HB ASP 23 -19.247 -5.861 -4.788 202 HB3 ASP 23 1HB ASP 23 -20.375 -5.506 -6.096 203 H TRP 24 H TRP 24 -16.207 -4.337 -7.352 204 HA TRP 24 HA TRP 24 -16.061 -2.443 -5.215 205 HB2 TRP 24 2HB TRP 24 -14.838 -2.309 -7.983 206 HB3 TRP 24 1HB TRP 24 -14.344 -1.333 -6.593 207 HD1 TRP 24 HD TRP 24 -14.051 -4.796 -8.084 208 HE1 TRP 24 1HE TRP 24 -12.478 -6.214 -6.611 209 HE3 TRP 24 3HE TRP 24 -13.531 -1.661 -4.120 210 HZ2 TRP 24 2HZ TRP 24 -11.179 -6.030 -4.061 211 HZ3 TRP 24 3HZ TRP 24 -12.121 -2.281 -2.193 212 HH2 TRP 24 HH TRP 24 -10.957 -4.463 -2.144 213 H ILE 25 H ILE 25 -18.152 -2.585 -7.853 214 HA ILE 25 HA ILE 25 -18.451 0.266 -8.299 215 HB ILE 25 HB ILE 25 -20.712 -0.548 -9.318 216 HG12 ILE 25 2HG1 ILE 25 -19.315 -3.232 -9.076 217 HG13 ILE 25 1HG1 ILE 25 -20.616 -2.730 -7.999 218 HG21 ILE 25 1HG2 ILE 25 -19.532 -1.463 -11.316 219 HG22 ILE 25 2HG2 ILE 25 -18.051 -1.565 -10.364 220 HG23 ILE 25 3HG2 ILE 25 -18.777 0.006 -10.700 221 HD11 ILE 25 3HD1 ILE 25 -21.535 -4.054 -9.840 222 HD12 ILE 25 1HD1 ILE 25 -20.790 -2.970 -11.015 223 HD13 ILE 25 2HD1 ILE 25 -22.087 -2.384 -9.973 224 H ARG 26 H ARG 26 -20.033 -2.188 -6.284 225 HA ARG 26 HA ARG 26 -21.987 -0.321 -5.235 226 HB2 ARG 26 2HB ARG 26 -21.094 -3.082 -4.374 227 HB3 ARG 26 1HB ARG 26 -22.349 -2.175 -3.528 228 HG2 ARG 26 2HG ARG 26 -23.743 -2.121 -5.490 229 HG3 ARG 26 1HG ARG 26 -22.450 -2.776 -6.495 230 HD2 ARG 26 2HD ARG 26 -22.507 -4.882 -5.257 231 HD3 ARG 26 1HD ARG 26 -23.730 -4.233 -4.166 232 HE ARG 26 HE ARG 26 -24.217 -5.285 -6.825 233 HH11 ARG 26 1HH2 ARG 26 -25.162 -2.963 -4.457 234 HH12 ARG 26 2HH2 ARG 26 -26.795 -2.855 -5.021 235 HH21 ARG 26 1HH1 ARG 26 -26.346 -5.157 -7.574 236 HH22 ARG 26 2HH1 ARG 26 -27.466 -4.097 -6.786 237 H ILE 27 H ILE 27 -18.975 -1.786 -4.048 238 HA ILE 27 HA ILE 27 -18.944 -0.592 -1.506 239 HB ILE 27 HB ILE 27 -16.576 -1.117 -3.318 240 HG12 ILE 27 2HG1 ILE 27 -17.872 -2.860 -1.199 241 HG13 ILE 27 1HG1 ILE 27 -18.106 -3.064 -2.933 242 HG21 ILE 27 1HG2 ILE 27 -15.391 -1.347 -1.091 243 HG22 ILE 27 2HG2 ILE 27 -16.841 -0.700 -0.328 244 HG23 ILE 27 3HG2 ILE 27 -15.925 0.291 -1.460 245 HD11 ILE 27 3HD1 ILE 27 -15.587 -3.467 -1.323 246 HD12 ILE 27 1HD1 ILE 27 -15.520 -3.218 -3.066 247 HD13 ILE 27 2HD1 ILE 27 -16.390 -4.601 -2.408 248 H SER 28 H SER 28 -18.075 0.731 -4.654 249 HA SER 28 HA SER 28 -16.913 3.162 -3.590 250 HB2 SER 28 2HB SER 28 -17.972 2.391 -6.312 251 HB3 SER 28 1HB SER 28 -17.330 3.996 -5.974 252 HG SER 28 HG SER 28 -15.414 3.175 -6.101 253 H GLN 29 H GLN 29 -20.186 2.138 -4.457 254 HA GLN 29 HA GLN 29 -21.372 4.755 -4.468 255 HB2 GLN 29 2HB GLN 29 -22.521 2.035 -3.778 256 HB3 GLN 29 1HB GLN 29 -23.499 3.500 -3.799 257 HG2 GLN 29 2HG GLN 29 -22.714 3.879 -6.175 258 HG3 GLN 29 1HG GLN 29 -21.987 2.280 -6.114 259 HE21 GLN 29 1HE2 GLN 29 -23.703 0.548 -5.155 260 HE22 GLN 29 2HE2 GLN 29 -25.243 0.635 -5.864 261 H LEU 30 H LEU 30 -20.765 2.441 -1.841 262 HA LEU 30 HA LEU 30 -22.037 3.916 0.238 263 HB2 LEU 30 2HB LEU 30 -19.498 2.312 0.629 264 HB3 LEU 30 1HB LEU 30 -20.830 2.542 1.761 265 HG LEU 30 HG LEU 30 -20.900 0.956 -0.823 266 HD11 LEU 30 1HD1 LEU 30 -19.813 -0.239 0.982 267 HD12 LEU 30 2HD1 LEU 30 -21.431 -0.909 0.773 268 HD13 LEU 30 3HD1 LEU 30 -21.101 0.200 2.105 269 HD21 LEU 30 3HD2 LEU 30 -23.055 1.978 -0.634 270 HD22 LEU 30 1HD2 LEU 30 -23.087 1.760 1.117 271 HD23 LEU 30 2HD2 LEU 30 -23.248 0.366 0.050 272 H MET 31 H MET 31 -18.673 3.965 -0.922 273 HA MET 31 HA MET 31 -18.295 6.633 0.424 274 HB2 MET 31 2HB MET 31 -16.321 4.390 -0.084 275 HB3 MET 31 1HB MET 31 -15.852 6.008 0.438 276 HG2 MET 31 2HG MET 31 -17.851 4.307 1.947 277 HG3 MET 31 1HG MET 31 -16.125 4.313 2.310 278 HE1 MET 31 3HE MET 31 -18.598 5.363 4.500 279 HE2 MET 31 1HE MET 31 -17.281 6.250 5.280 280 HE3 MET 31 2HE MET 31 -16.976 4.675 4.549 281 H ILE 32 H ILE 32 -19.346 7.174 -1.828 282 HA ILE 32 HA ILE 32 -18.039 6.880 -4.286 283 HB ILE 32 HB ILE 32 -19.031 9.153 -4.839 284 HG12 ILE 32 2HG1 ILE 32 -20.005 8.947 -1.970 285 HG13 ILE 32 1HG1 ILE 32 -18.759 10.066 -2.525 286 HG21 ILE 32 1HG2 ILE 32 -20.883 7.222 -3.407 287 HG22 ILE 32 2HG2 ILE 32 -20.284 6.995 -5.051 288 HG23 ILE 32 3HG2 ILE 32 -21.332 8.362 -4.674 289 HD11 ILE 32 3HD1 ILE 32 -21.660 9.987 -3.380 290 HD12 ILE 32 1HD1 ILE 32 -20.435 10.965 -4.186 291 HD13 ILE 32 2HD1 ILE 32 -20.840 11.275 -2.497 292 H THR 33 H THR 33 -16.889 8.466 -1.501 293 HA THR 33 HA THR 33 -15.270 10.511 -2.674 294 HB THR 33 HB THR 33 -14.064 10.516 -0.558 295 HG1 THR 33 1HG THR 33 -14.330 8.839 0.892 296 HG21 THR 33 3HG2 THR 33 -16.971 9.819 -0.062 297 HG22 THR 33 1HG2 THR 33 -16.407 11.391 -0.627 298 HG23 THR 33 2HG2 THR 33 -15.932 10.805 0.967 299 H ARG 34 H ARG 34 -15.137 7.329 -3.395 300 HA ARG 34 HA ARG 34 -12.315 7.534 -4.261 301 HB2 ARG 34 2HB ARG 34 -11.545 5.578 -3.151 302 HB3 ARG 34 1HB ARG 34 -12.403 6.495 -1.915 303 HG2 ARG 34 2HG ARG 34 -14.476 5.056 -2.622 304 HG3 ARG 34 1HG ARG 34 -13.281 3.986 -3.353 305 HD2 ARG 34 2HD ARG 34 -13.774 3.237 -1.076 306 HD3 ARG 34 1HD ARG 34 -12.116 3.835 -1.157 307 HE ARG 34 HE ARG 34 -13.533 6.065 -0.380 308 HH11 ARG 34 1HH2 ARG 34 -13.345 2.790 0.680 309 HH12 ARG 34 2HH2 ARG 34 -13.674 3.169 2.339 310 HH21 ARG 34 1HH1 ARG 34 -13.965 6.577 1.777 311 HH22 ARG 34 2HH1 ARG 34 -14.025 5.313 2.959 312 H ASN 35 H ASN 35 -12.101 6.609 -6.257 313 HA ASN 35 HA ASN 35 -14.450 5.510 -7.523 314 HB2 ASN 35 2HB ASN 35 -11.638 5.409 -8.621 315 HB3 ASN 35 1HB ASN 35 -13.150 5.451 -9.526 316 HD21 ASN 35 1HD2 ASN 35 -14.020 7.523 -7.278 317 HD22 ASN 35 2HD2 ASN 35 -13.376 8.979 -7.867 318 HA PRO 36 HA PRO 36 -14.178 1.149 -6.656 319 HB2 PRO 36 2HB PRO 36 -13.969 0.829 -9.652 320 HB3 PRO 36 1HB PRO 36 -14.975 -0.065 -8.498 321 HG2 PRO 36 2HG PRO 36 -16.028 1.854 -10.003 322 HG3 PRO 36 1HG PRO 36 -16.528 1.640 -8.314 323 HD2 PRO 36 2HD PRO 36 -14.825 3.788 -9.503 324 HD3 PRO 36 1HD PRO 36 -15.863 3.831 -8.058 325 H ARG 37 H ARG 37 -12.070 2.308 -9.264 326 HA ARG 37 HA ARG 37 -10.061 0.287 -8.974 327 HB2 ARG 37 2HB ARG 37 -9.776 3.090 -10.085 328 HB3 ARG 37 1HB ARG 37 -8.688 1.733 -10.382 329 HG2 ARG 37 2HG ARG 37 -10.665 0.480 -11.343 330 HG3 ARG 37 1HG ARG 37 -11.585 1.979 -11.234 331 HD2 ARG 37 2HD ARG 37 -8.955 1.756 -12.727 332 HD3 ARG 37 1HD ARG 37 -10.524 1.534 -13.493 333 HE ARG 37 HE ARG 37 -10.958 3.867 -13.255 334 HH11 ARG 37 1HH2 ARG 37 -8.053 2.874 -11.657 335 HH12 ARG 37 2HH2 ARG 37 -7.486 4.491 -11.416 336 HH21 ARG 37 1HH1 ARG 37 -10.222 5.972 -12.940 337 HH22 ARG 37 2HH1 ARG 37 -8.710 6.240 -12.139 338 H GLN 38 H GLN 38 -10.657 3.319 -7.310 339 HA GLN 38 HA GLN 38 -7.981 3.586 -6.234 340 HB2 GLN 38 2HB GLN 38 -10.633 4.780 -5.406 341 HB3 GLN 38 1HB GLN 38 -9.108 5.181 -4.622 342 HG2 GLN 38 2HG GLN 38 -9.501 5.430 -7.616 343 HG3 GLN 38 1HG GLN 38 -9.847 6.754 -6.503 344 HE21 GLN 38 1HE2 GLN 38 -8.036 7.782 -5.420 345 HE22 GLN 38 2HE2 GLN 38 -6.432 7.497 -5.897 346 H CYS 39 H CYS 39 -10.902 1.887 -5.109 347 HA CYS 39 HA CYS 39 -9.577 1.322 -2.512 348 HB2 CYS 39 2HB CYS 39 -11.808 -0.029 -2.282 349 HB3 CYS 39 1HB CYS 39 -11.854 1.723 -2.206 350 HG CYS 39 HG CYS 39 -13.353 1.664 -4.161 351 H ARG 40 H ARG 40 -10.085 -0.071 -5.646 352 HA ARG 40 HA ARG 40 -9.668 -2.840 -4.878 353 HB2 ARG 40 2HB ARG 40 -10.677 -2.369 -7.027 354 HB3 ARG 40 1HB ARG 40 -9.317 -1.358 -7.495 355 HG2 ARG 40 2HG ARG 40 -9.252 -3.617 -8.563 356 HG3 ARG 40 1HG ARG 40 -7.832 -3.304 -7.577 357 HD2 ARG 40 2HD ARG 40 -8.613 -4.721 -5.830 358 HD3 ARG 40 1HD ARG 40 -10.247 -4.750 -6.485 359 HE ARG 40 HE ARG 40 -9.572 -6.508 -7.886 360 HH11 ARG 40 1HH2 ARG 40 -6.885 -4.652 -6.778 361 HH12 ARG 40 2HH2 ARG 40 -5.702 -5.680 -7.515 362 HH21 ARG 40 1HH1 ARG 40 -8.042 -7.860 -8.853 363 HH22 ARG 40 2HH1 ARG 40 -6.356 -7.495 -8.690 364 H GLU 41 H GLU 41 -7.567 -0.144 -5.804 365 HA GLU 41 HA GLU 41 -5.174 -1.716 -6.010 366 HB2 GLU 41 2HB GLU 41 -3.986 0.486 -5.633 367 HB3 GLU 41 1HB GLU 41 -5.137 0.493 -6.968 368 HG2 GLU 41 2HG GLU 41 -6.784 1.622 -5.653 369 HG3 GLU 41 1HG GLU 41 -5.855 1.406 -4.173 370 H ARG 42 H ARG 42 -7.024 -0.477 -3.359 371 HA ARG 42 HA ARG 42 -4.856 -0.690 -1.408 372 HB2 ARG 42 2HB ARG 42 -7.447 0.421 -1.439 373 HB3 ARG 42 1HB ARG 42 -7.583 -0.903 -0.289 374 HG2 ARG 42 2HG ARG 42 -6.901 0.962 1.013 375 HG3 ARG 42 1HG ARG 42 -5.434 0.026 0.780 376 HD2 ARG 42 2HD ARG 42 -5.205 1.622 -1.382 377 HD3 ARG 42 1HD ARG 42 -6.167 2.690 -0.367 378 HE ARG 42 HE ARG 42 -3.384 2.083 0.017 379 HH11 ARG 42 1HH2 ARG 42 -6.383 2.592 1.645 380 HH12 ARG 42 2HH2 ARG 42 -5.646 3.174 3.099 381 HH21 ARG 42 1HH1 ARG 42 -2.408 2.842 1.907 382 HH22 ARG 42 2HH1 ARG 42 -3.396 3.317 3.247 383 H TRP 43 H TRP 43 -7.494 -2.768 -2.517 384 HA TRP 43 HA TRP 43 -7.445 -4.890 -0.733 385 HB2 TRP 43 2HB TRP 43 -8.788 -4.619 -2.886 386 HB3 TRP 43 1HB TRP 43 -7.381 -5.213 -3.743 387 HD1 TRP 43 HD TRP 43 -9.037 -6.515 -0.485 388 HE1 TRP 43 1HE TRP 43 -9.537 -9.019 -0.796 389 HE3 TRP 43 3HE TRP 43 -7.483 -7.121 -5.305 390 HZ2 TRP 43 2HZ TRP 43 -9.311 -11.021 -2.826 391 HZ3 TRP 43 3HZ TRP 43 -7.638 -9.336 -6.406 392 HH2 TRP 43 HH TRP 43 -8.550 -11.285 -5.174 393 H ASN 44 H ASN 44 -5.402 -4.713 -3.624 394 HA ASN 44 HA ASN 44 -3.710 -6.896 -2.732 395 HB2 ASN 44 2HB ASN 44 -2.251 -6.093 -4.692 396 HB3 ASN 44 1HB ASN 44 -3.887 -6.624 -5.082 397 HD21 ASN 44 1HD2 ASN 44 -5.254 -5.122 -6.095 398 HD22 ASN 44 2HD2 ASN 44 -4.875 -3.482 -6.312 399 H ASN 45 H ASN 45 -3.529 -3.386 -2.458 400 HA ASN 45 HA ASN 45 -0.736 -3.544 -1.451 401 HB2 ASN 45 2HB ASN 45 -2.597 -1.188 -1.866 402 HB3 ASN 45 1HB ASN 45 -0.918 -1.072 -1.344 403 HD21 ASN 45 1HD2 ASN 45 -2.188 -0.101 -3.915 404 HD22 ASN 45 2HD2 ASN 45 -1.295 -0.843 -5.155 405 H TYR 46 H TYR 46 -3.426 -4.436 0.032 406 HA TYR 46 HA TYR 46 -2.429 -3.468 2.640 407 HB2 TYR 46 2HB TYR 46 -4.383 -1.965 1.473 408 HB3 TYR 46 1HB TYR 46 -5.383 -3.115 2.348 409 HD1 TYR 46 1HD TYR 46 -4.222 -3.667 4.824 410 HD2 TYR 46 2HD TYR 46 -4.001 0.041 2.659 411 HE1 TYR 46 1HE TYR 46 -3.794 -2.453 6.941 412 HE2 TYR 46 2HE TYR 46 -3.576 1.250 4.778 413 HH TYR 46 HH TYR 46 -2.738 0.807 7.009 414 H ILE 47 H ILE 47 -5.259 -5.213 1.230 415 HA ILE 47 HA ILE 47 -4.469 -7.558 2.864 416 HB ILE 47 HB ILE 47 -6.432 -7.792 4.101 417 HG12 ILE 47 2HG1 ILE 47 -8.107 -7.501 2.292 418 HG13 ILE 47 1HG1 ILE 47 -8.538 -6.595 3.728 419 HG21 ILE 47 1HG2 ILE 47 -6.853 -5.640 5.201 420 HG22 ILE 47 2HG2 ILE 47 -6.064 -4.795 3.873 421 HG23 ILE 47 3HG2 ILE 47 -5.134 -5.879 4.902 422 HD11 ILE 47 3HD1 ILE 47 -7.061 -5.337 1.426 423 HD12 ILE 47 1HD1 ILE 47 -7.837 -4.524 2.770 424 HD13 ILE 47 2HD1 ILE 47 -8.810 -5.333 1.545 425 H ASN 48 H ASN 48 -4.460 -9.230 1.649 426 HA ASN 48 HA ASN 48 -6.526 -10.261 0.053 427 HB2 ASN 48 2HB ASN 48 -6.366 -9.112 -1.915 428 HB3 ASN 48 1HB ASN 48 -5.028 -8.192 -1.287 429 HD21 ASN 48 1HD2 ASN 48 -2.899 -8.716 -2.023 430 HD22 ASN 48 2HD2 ASN 48 -2.597 -9.930 -3.168 431 HA PRO 49 HA PRO 49 -2.594 -12.853 -0.341 432 HB2 PRO 49 2HB PRO 49 -0.131 -11.762 0.069 433 HB3 PRO 49 1HB PRO 49 -1.035 -11.511 -1.434 434 HG2 PRO 49 2HG PRO 49 -0.476 -9.596 0.728 435 HG3 PRO 49 1HG PRO 49 -0.953 -9.286 -0.947 436 HD2 PRO 49 2HD PRO 49 -2.660 -9.340 1.439 437 HD3 PRO 49 1HD PRO 49 -3.090 -8.865 -0.214 438 H ALA 50 H ALA 50 -0.404 -11.313 1.834 439 HA ALA 50 HA ALA 50 -1.526 -12.170 4.331 440 HB1 ALA 50 1HB ALA 50 0.456 -14.026 2.986 441 HB2 ALA 50 2HB ALA 50 -1.154 -14.426 3.582 442 HB3 ALA 50 3HB ALA 50 0.139 -14.054 4.720 443 H LEU 51 H LEU 51 -0.559 -9.820 4.100 444 HA LEU 51 HA LEU 51 2.179 -9.237 4.072 445 HB2 LEU 51 2HB LEU 51 0.046 -8.033 5.871 446 HB3 LEU 51 1HB LEU 51 1.656 -7.361 5.681 447 HG LEU 51 HG LEU 51 0.218 -6.104 4.264 448 HD11 LEU 51 1HD1 LEU 51 2.448 -7.012 3.284 449 HD12 LEU 51 2HD1 LEU 51 1.289 -6.269 2.197 450 HD13 LEU 51 3HD1 LEU 51 1.416 -8.013 2.264 451 HD21 LEU 51 3HD2 LEU 51 -0.704 -8.585 2.830 452 HD22 LEU 51 1HD2 LEU 51 -1.367 -6.958 2.743 453 HD23 LEU 51 2HD2 LEU 51 -1.585 -7.921 4.201 454 H ARG 52 H ARG 52 0.545 -11.213 6.295 455 HA ARG 52 HA ARG 52 1.857 -10.860 8.731 456 HB2 ARG 52 2HB ARG 52 1.461 -13.598 7.495 457 HB3 ARG 52 1HB ARG 52 1.421 -13.165 9.203 458 HG2 ARG 52 2HG ARG 52 -0.596 -12.377 7.080 459 HG3 ARG 52 1HG ARG 52 -0.861 -13.462 8.442 460 HD2 ARG 52 2HD ARG 52 -0.225 -11.450 9.937 461 HD3 ARG 52 1HD ARG 52 -0.459 -10.470 8.489 462 HE ARG 52 HE ARG 52 -2.565 -11.636 10.089 463 HH11 ARG 52 1HH2 ARG 52 -1.553 -10.820 6.895 464 HH12 ARG 52 2HH2 ARG 52 -3.165 -10.621 6.292 465 HH21 ARG 52 1HH1 ARG 52 -4.674 -11.381 9.320 466 HH22 ARG 52 2HH1 ARG 52 -4.931 -10.939 7.665 467 H THR 53 H THR 53 3.165 -12.129 5.729 468 HA THR 53 HA THR 53 5.882 -11.764 6.711 469 HB THR 53 HB THR 53 5.635 -13.890 7.731 470 HG1 THR 53 1HG THR 53 7.474 -13.816 6.441 471 HG21 THR 53 3HG2 THR 53 4.174 -14.665 5.198 472 HG22 THR 53 1HG2 THR 53 3.522 -14.581 6.834 473 HG23 THR 53 2HG2 THR 53 4.687 -15.835 6.413 474 H ASP 54 H ASP 54 5.317 -10.373 4.677 475 HA ASP 54 HA ASP 54 6.251 -11.870 2.251 476 HB2 ASP 54 2HB ASP 54 3.930 -9.928 2.422 477 HB3 ASP 54 1HB ASP 54 4.669 -10.445 0.905 478 HA PRO 55 HA PRO 55 8.522 -7.867 2.928 479 HB2 PRO 55 2HB PRO 55 10.954 -8.785 3.592 480 HB3 PRO 55 1HB PRO 55 9.634 -8.787 4.784 481 HG2 PRO 55 2HG PRO 55 10.662 -11.045 3.102 482 HG3 PRO 55 1HG PRO 55 10.261 -11.031 4.831 483 HD2 PRO 55 2HD PRO 55 8.531 -11.954 2.861 484 HD3 PRO 55 1HD PRO 55 7.986 -11.330 4.434 485 H TRP 56 H TRP 56 9.551 -6.869 1.216 486 HA TRP 56 HA TRP 56 10.082 -8.407 -1.200 487 HB2 TRP 56 2HB TRP 56 11.101 -6.014 -1.872 488 HB3 TRP 56 1HB TRP 56 9.366 -6.299 -1.829 489 HD1 TRP 56 HD TRP 56 7.988 -5.246 0.169 490 HE1 TRP 56 1HE TRP 56 8.491 -3.324 1.803 491 HE3 TRP 56 3HE TRP 56 13.009 -4.862 -0.548 492 HZ2 TRP 56 2HZ TRP 56 10.781 -1.789 2.659 493 HZ3 TRP 56 3HZ TRP 56 14.327 -3.167 0.667 494 HH2 TRP 56 HH TRP 56 13.228 -1.631 2.272 495 H SER 57 H SER 57 12.411 -7.344 -2.251 496 HA SER 57 HA SER 57 14.549 -8.202 -0.318 497 HB2 SER 57 2HB SER 57 15.140 -9.927 -1.708 498 HB3 SER 57 1HB SER 57 13.635 -9.634 -2.565 499 HG SER 57 HG SER 57 15.012 -9.290 -4.143 500 HA PRO 58 HA PRO 58 17.218 -4.865 -1.455 501 HB2 PRO 58 2HB PRO 58 18.835 -6.716 -3.206 502 HB3 PRO 58 1HB PRO 58 19.399 -5.537 -1.999 503 HG2 PRO 58 2HG PRO 58 19.345 -8.101 -1.389 504 HG3 PRO 58 1HG PRO 58 18.794 -6.899 -0.204 505 HD2 PRO 58 2HD PRO 58 17.153 -8.755 -1.899 506 HD3 PRO 58 1HD PRO 58 16.860 -8.196 -0.237 507 H GLU 59 H GLU 59 15.755 -6.729 -3.944 508 HA GLU 59 HA GLU 59 16.449 -5.155 -6.225 509 HB2 GLU 59 2HB GLU 59 14.015 -6.879 -5.652 510 HB3 GLU 59 1HB GLU 59 14.388 -6.180 -7.228 511 HG2 GLU 59 2HG GLU 59 16.625 -7.353 -7.120 512 HG3 GLU 59 1HG GLU 59 16.043 -8.190 -5.680 513 H GLU 60 H GLU 60 13.643 -5.112 -3.981 514 HA GLU 60 HA GLU 60 12.545 -2.734 -5.242 515 HB2 GLU 60 2HB GLU 60 12.052 -3.936 -2.500 516 HB3 GLU 60 1HB GLU 60 11.126 -2.604 -3.187 517 HG2 GLU 60 2HG GLU 60 11.370 -5.374 -4.406 518 HG3 GLU 60 1HG GLU 60 9.974 -4.773 -3.516 519 H ASP 61 H ASP 61 14.914 -3.384 -2.746 520 HA ASP 61 HA ASP 61 14.986 -0.772 -1.573 521 HB2 ASP 61 2HB ASP 61 16.184 -2.870 -0.731 522 HB3 ASP 61 1HB ASP 61 17.393 -2.573 -1.978 523 H MET 62 H MET 62 17.043 -2.198 -4.132 524 HA MET 62 HA MET 62 18.339 0.255 -4.808 525 HB2 MET 62 2HB MET 62 17.875 -2.282 -6.397 526 HB3 MET 62 1HB MET 62 18.873 -0.946 -6.972 527 HG2 MET 62 2HG MET 62 20.257 -1.149 -4.898 528 HG3 MET 62 1HG MET 62 19.310 -2.568 -4.447 529 HE1 MET 62 3HE MET 62 19.811 -4.816 -5.041 530 HE2 MET 62 1HE MET 62 20.330 -5.356 -6.643 531 HE3 MET 62 2HE MET 62 18.826 -4.459 -6.457 532 H LEU 63 H LEU 63 15.426 -1.351 -6.096 533 HA LEU 63 HA LEU 63 15.007 0.740 -8.103 534 HB2 LEU 63 2HB LEU 63 13.438 -1.621 -7.108 535 HB3 LEU 63 1HB LEU 63 12.586 -0.394 -8.028 536 HG LEU 63 HG LEU 63 13.516 -2.370 -9.358 537 HD11 LEU 63 1HD1 LEU 63 14.679 0.239 -10.343 538 HD12 LEU 63 2HD1 LEU 63 12.936 -0.018 -10.279 539 HD13 LEU 63 3HD1 LEU 63 13.945 -1.066 -11.267 540 HD21 LEU 63 3HD2 LEU 63 15.824 -2.583 -9.768 541 HD22 LEU 63 1HD2 LEU 63 15.758 -2.252 -8.040 542 HD23 LEU 63 2HD2 LEU 63 16.188 -0.968 -9.166 543 H LEU 64 H LEU 64 14.263 0.350 -4.739 544 HA LEU 64 HA LEU 64 12.063 2.221 -4.638 545 HB2 LEU 64 2HB LEU 64 12.266 0.799 -2.754 546 HB3 LEU 64 1HB LEU 64 13.985 1.125 -2.573 547 HG LEU 64 HG LEU 64 12.172 3.506 -2.307 548 HD11 LEU 64 1HD1 LEU 64 11.662 2.924 0.075 549 HD12 LEU 64 2HD1 LEU 64 12.262 1.295 -0.236 550 HD13 LEU 64 3HD1 LEU 64 10.838 1.886 -1.089 551 HD21 LEU 64 3HD2 LEU 64 13.709 3.971 -0.383 552 HD22 LEU 64 1HD2 LEU 64 14.581 3.757 -1.896 553 HD23 LEU 64 2HD2 LEU 64 14.541 2.454 -0.712 554 H ASP 65 H ASP 65 15.585 2.538 -4.103 555 HA ASP 65 HA ASP 65 15.702 5.259 -3.442 556 HB2 ASP 65 2HB ASP 65 17.653 3.644 -3.645 557 HB3 ASP 65 1HB ASP 65 17.599 3.915 -5.388 558 H GLN 66 H GLN 66 15.165 3.746 -6.577 559 HA GLN 66 HA GLN 66 15.273 6.278 -8.043 560 HB2 GLN 66 2HB GLN 66 14.273 3.532 -8.848 561 HB3 GLN 66 1HB GLN 66 14.447 4.902 -9.946 562 HG2 GLN 66 2HG GLN 66 16.867 5.014 -9.381 563 HG3 GLN 66 1HG GLN 66 16.674 3.586 -8.364 564 HE21 GLN 66 1HE2 GLN 66 18.369 3.715 -10.759 565 HE22 GLN 66 2HE2 GLN 66 17.739 2.595 -11.868 566 H LYS 67 H LYS 67 12.674 4.080 -6.951 567 HA LYS 67 HA LYS 67 10.569 5.741 -8.051 568 HB2 LYS 67 2HB LYS 67 10.520 3.570 -5.937 569 HB3 LYS 67 1HB LYS 67 9.079 4.325 -6.618 570 HG2 LYS 67 2HG LYS 67 9.854 3.621 -8.896 571 HG3 LYS 67 1HG LYS 67 11.178 2.744 -8.127 572 HD2 LYS 67 2HD LYS 67 9.444 1.492 -6.777 573 HD3 LYS 67 1HD LYS 67 8.211 2.242 -7.791 574 HE2 LYS 67 2HE LYS 67 10.403 0.338 -8.631 575 HE3 LYS 67 1HE LYS 67 8.659 0.132 -8.804 576 HZ1 LYS 67 3HZ LYS 67 8.607 1.932 -10.377 577 HZ2 LYS 67 1HZ LYS 67 9.743 0.781 -10.888 578 HZ3 LYS 67 2HZ LYS 67 10.266 2.227 -10.164 579 H TYR 68 H TYR 68 11.624 5.172 -4.680 580 HA TYR 68 HA TYR 68 9.984 7.054 -3.401 581 HB2 TYR 68 2HB TYR 68 11.257 5.699 -1.947 582 HB3 TYR 68 1HB TYR 68 12.749 5.996 -2.827 583 HD1 TYR 68 1HD TYR 68 13.885 8.219 -2.666 584 HD2 TYR 68 2HD TYR 68 10.569 7.157 -0.151 585 HE1 TYR 68 1HE TYR 68 14.472 10.061 -1.121 586 HE2 TYR 68 2HE TYR 68 11.160 9.000 1.395 587 HH TYR 68 HH TYR 68 14.137 10.720 1.163 588 H ALA 69 H ALA 69 13.092 7.545 -5.028 589 HA ALA 69 HA ALA 69 13.547 10.247 -4.413 590 HB1 ALA 69 1HB ALA 69 14.672 10.296 -6.709 591 HB2 ALA 69 2HB ALA 69 14.102 8.641 -6.919 592 HB3 ALA 69 3HB ALA 69 15.225 9.027 -5.616 593 H GLU 70 H GLU 70 11.352 8.792 -6.756 594 HA GLU 70 HA GLU 70 10.500 11.446 -7.767 595 HB2 GLU 70 2HB GLU 70 9.853 8.585 -8.517 596 HB3 GLU 70 1HB GLU 70 9.009 9.962 -9.225 597 HG2 GLU 70 2HG GLU 70 11.173 10.882 -10.000 598 HG3 GLU 70 1HG GLU 70 12.003 9.484 -9.315 599 H TYR 71 H TYR 71 8.928 8.540 -6.372 600 HA TYR 71 HA TYR 71 6.498 10.057 -5.789 601 HB2 TYR 71 2HB TYR 71 7.253 7.232 -5.032 602 HB3 TYR 71 1HB TYR 71 5.640 7.932 -4.967 603 HD1 TYR 71 1HD TYR 71 4.495 8.667 -7.068 604 HD2 TYR 71 2HD TYR 71 8.181 6.461 -7.119 605 HE1 TYR 71 1HE TYR 71 4.125 8.101 -9.454 606 HE2 TYR 71 2HE TYR 71 7.810 5.895 -9.504 607 HH TYR 71 HH TYR 71 5.357 5.768 -11.001 608 H GLY 72 H GLY 72 9.094 8.585 -3.830 609 HA2 GLY 72 2HA GLY 72 9.845 9.432 -1.713 610 HA3 GLY 72 1HA GLY 72 8.422 10.474 -1.647 611 HA PRO 73 HA PRO 73 7.728 6.896 1.245 612 HB2 PRO 73 2HB PRO 73 6.221 8.977 2.761 613 HB3 PRO 73 1HB PRO 73 7.470 7.853 3.336 614 HG2 PRO 73 2HG PRO 73 7.975 10.471 3.010 615 HG3 PRO 73 1HG PRO 73 9.203 9.236 2.680 616 HD2 PRO 73 2HD PRO 73 7.512 10.777 0.719 617 HD3 PRO 73 1HD PRO 73 9.223 10.303 0.596 618 H LYS 74 H LYS 74 6.093 7.824 -1.182 619 HA LYS 74 HA LYS 74 3.311 7.530 -0.192 620 HB2 LYS 74 2HB LYS 74 4.554 7.955 -2.911 621 HB3 LYS 74 1HB LYS 74 2.832 7.652 -2.705 622 HG2 LYS 74 2HG LYS 74 2.612 9.624 -1.289 623 HG3 LYS 74 1HG LYS 74 4.354 9.897 -1.347 624 HD2 LYS 74 2HD LYS 74 4.143 10.093 -3.863 625 HD3 LYS 74 1HD LYS 74 2.392 10.079 -3.647 626 HE2 LYS 74 2HE LYS 74 4.363 12.118 -2.588 627 HE3 LYS 74 1HE LYS 74 3.044 12.385 -3.729 628 HZ1 LYS 74 3HZ LYS 74 1.455 11.919 -2.024 629 HZ2 LYS 74 1HZ LYS 74 2.526 13.097 -1.440 630 HZ3 LYS 74 2HZ LYS 74 2.675 11.485 -0.924 631 H TRP 75 H TRP 75 4.259 5.315 0.650 632 HA TRP 75 HA TRP 75 4.836 3.185 -1.071 633 HB2 TRP 75 2HB TRP 75 3.184 2.775 1.413 634 HB3 TRP 75 1HB TRP 75 4.478 1.769 0.768 635 HD1 TRP 75 HD TRP 75 3.894 4.057 3.460 636 HE1 TRP 75 1HE TRP 75 6.083 5.072 4.362 637 HE3 TRP 75 3HE TRP 75 7.059 2.932 -0.393 638 HZ2 TRP 75 2HZ TRP 75 8.800 5.385 3.558 639 HZ3 TRP 75 3HZ TRP 75 9.433 3.613 -0.300 640 HH2 TRP 75 HH TRP 75 10.311 4.835 1.668 641 H ASN 76 H ASN 76 2.024 4.959 -0.994 642 HA ASN 76 HA ASN 76 0.090 2.864 -1.502 643 HB2 ASN 76 2HB ASN 76 -0.574 5.124 -0.714 644 HB3 ASN 76 1HB ASN 76 -0.008 5.808 -2.238 645 HD21 ASN 76 1HD2 ASN 76 -2.518 3.755 -0.785 646 HD22 ASN 76 2HD2 ASN 76 -3.560 3.786 -2.124 647 H LYS 77 H LYS 77 2.190 4.896 -3.481 648 HA LYS 77 HA LYS 77 1.109 3.800 -6.000 649 HB2 LYS 77 2HB LYS 77 3.292 5.769 -5.282 650 HB3 LYS 77 1HB LYS 77 3.145 5.143 -6.924 651 HG2 LYS 77 2HG LYS 77 1.943 7.314 -6.582 652 HG3 LYS 77 1HG LYS 77 0.885 6.008 -7.112 653 HD2 LYS 77 2HD LYS 77 -0.015 5.705 -4.923 654 HD3 LYS 77 1HD LYS 77 1.252 6.687 -4.185 655 HE2 LYS 77 2HE LYS 77 0.378 8.698 -5.188 656 HE3 LYS 77 1HE LYS 77 -0.753 7.776 -6.178 657 HZ1 LYS 77 3HZ LYS 77 -0.840 8.350 -3.302 658 HZ2 LYS 77 1HZ LYS 77 -1.538 6.911 -3.866 659 HZ3 LYS 77 2HZ LYS 77 -2.087 8.408 -4.453 660 H ILE 78 H ILE 78 3.947 3.475 -3.918 661 HA ILE 78 HA ILE 78 5.438 1.764 -5.677 662 HB ILE 78 HB ILE 78 5.561 1.666 -2.656 663 HG12 ILE 78 2HG1 ILE 78 5.522 4.019 -3.163 664 HG13 ILE 78 1HG1 ILE 78 7.199 3.579 -2.861 665 HG21 ILE 78 1HG2 ILE 78 7.933 1.241 -3.062 666 HG22 ILE 78 2HG2 ILE 78 7.705 1.476 -4.794 667 HG23 ILE 78 3HG2 ILE 78 6.964 0.093 -3.988 668 HD11 ILE 78 3HD1 ILE 78 7.343 4.883 -4.805 669 HD12 ILE 78 1HD1 ILE 78 5.854 4.222 -5.475 670 HD13 ILE 78 2HD1 ILE 78 7.323 3.246 -5.452 671 H SER 79 H SER 79 3.421 1.008 -2.824 672 HA SER 79 HA SER 79 3.516 -1.766 -2.868 673 HB2 SER 79 2HB SER 79 1.314 -1.741 -1.814 674 HB3 SER 79 1HB SER 79 2.271 -0.398 -1.198 675 HG SER 79 HG SER 79 0.421 -0.244 -3.348 676 H LYS 80 H LYS 80 1.938 0.320 -5.194 677 HA LYS 80 HA LYS 80 0.298 -1.839 -6.304 678 HB2 LYS 80 2HB LYS 80 -0.761 -0.143 -7.417 679 HB3 LYS 80 1HB LYS 80 0.204 0.934 -6.419 680 HG2 LYS 80 2HG LYS 80 1.971 0.890 -8.234 681 HG3 LYS 80 1HG LYS 80 0.826 -0.000 -9.235 682 HD2 LYS 80 2HD LYS 80 -0.818 1.884 -8.875 683 HD3 LYS 80 1HD LYS 80 0.486 2.789 -8.105 684 HE2 LYS 80 2HE LYS 80 1.842 2.534 -10.183 685 HE3 LYS 80 1HE LYS 80 0.468 1.735 -10.948 686 HZ1 LYS 80 3HZ LYS 80 -0.843 3.771 -10.402 687 HZ2 LYS 80 1HZ LYS 80 0.382 4.005 -11.552 688 HZ3 LYS 80 2HZ LYS 80 0.612 4.523 -9.950 689 H PHE 81 H PHE 81 3.503 -0.595 -6.725 690 HA PHE 81 HA PHE 81 3.907 -1.859 -9.336 691 HB2 PHE 81 2HB PHE 81 5.613 -0.369 -7.349 692 HB3 PHE 81 1HB PHE 81 6.426 -1.384 -8.537 693 HD1 PHE 81 1HD PHE 81 5.849 -1.048 -11.016 694 HD2 PHE 81 2HD PHE 81 4.828 1.796 -7.964 695 HE1 PHE 81 1HE PHE 81 5.576 0.709 -12.744 696 HE2 PHE 81 2HE PHE 81 4.553 3.553 -9.690 697 HZ PHE 81 HZ PHE 81 4.928 3.009 -12.081 698 H LEU 82 H LEU 82 3.609 -2.886 -6.169 699 HA LEU 82 HA LEU 82 5.374 -5.295 -6.573 700 HB2 LEU 82 2HB LEU 82 3.954 -4.522 -4.016 701 HB3 LEU 82 1HB LEU 82 5.356 -5.571 -4.218 702 HG LEU 82 HG LEU 82 5.300 -2.590 -4.747 703 HD11 LEU 82 1HD1 LEU 82 6.589 -2.350 -2.753 704 HD12 LEU 82 2HD1 LEU 82 6.764 -4.097 -2.584 705 HD13 LEU 82 3HD1 LEU 82 5.192 -3.342 -2.341 706 HD21 LEU 82 3HD2 LEU 82 7.834 -2.975 -4.846 707 HD22 LEU 82 1HD2 LEU 82 6.907 -3.552 -6.228 708 HD23 LEU 82 2HD2 LEU 82 7.461 -4.692 -5.001 709 H LYS 83 H LYS 83 2.188 -4.636 -5.066 710 HA LYS 83 HA LYS 83 0.172 -5.780 -5.260 711 HB2 LYS 83 2HB LYS 83 1.117 -5.884 -7.777 712 HB3 LYS 83 1HB LYS 83 1.239 -7.598 -7.413 713 HG2 LYS 83 2HG LYS 83 -1.128 -7.725 -6.896 714 HG3 LYS 83 1HG LYS 83 -1.306 -5.977 -7.036 715 HD2 LYS 83 2HD LYS 83 -0.441 -7.798 -9.305 716 HD3 LYS 83 1HD LYS 83 -2.084 -7.214 -9.071 717 HE2 LYS 83 2HE LYS 83 -0.858 -4.826 -9.025 718 HE3 LYS 83 1HE LYS 83 0.349 -5.702 -9.968 719 HZ1 LYS 83 3HZ LYS 83 -2.339 -4.918 -10.679 720 HZ2 LYS 83 1HZ LYS 83 -1.929 -6.502 -11.124 721 HZ3 LYS 83 2HZ LYS 83 -0.987 -5.198 -11.669 722 H ASN 84 H ASN 84 2.937 -6.781 -4.112 723 HA ASN 84 HA ASN 84 1.913 -9.463 -3.255 724 HB2 ASN 84 2HB ASN 84 4.741 -8.601 -3.911 725 HB3 ASN 84 1HB ASN 84 4.370 -10.075 -3.016 726 HD21 ASN 84 1HD2 ASN 84 2.815 -8.552 -5.901 727 HD22 ASN 84 2HD2 ASN 84 2.925 -9.941 -6.870 728 H ARG 85 H ARG 85 2.943 -6.346 -2.375 729 HA ARG 85 HA ARG 85 2.998 -7.134 0.525 730 HB2 ARG 85 2HB ARG 85 4.809 -5.124 -0.848 731 HB3 ARG 85 1HB ARG 85 4.711 -5.382 0.887 732 HG2 ARG 85 2HG ARG 85 6.438 -6.869 0.529 733 HG3 ARG 85 1HG ARG 85 5.155 -7.962 0.049 734 HD2 ARG 85 2HD ARG 85 5.439 -6.990 -2.319 735 HD3 ARG 85 1HD ARG 85 6.954 -6.313 -1.725 736 HE ARG 85 HE ARG 85 7.027 -9.019 -1.017 737 HH11 ARG 85 1HH2 ARG 85 6.674 -7.109 -3.867 738 HH12 ARG 85 2HH2 ARG 85 7.431 -8.274 -4.901 739 HH21 ARG 85 1HH1 ARG 85 8.016 -10.550 -2.352 740 HH22 ARG 85 2HH1 ARG 85 8.190 -10.222 -4.043 741 H SER 86 H SER 86 3.098 -4.674 1.636 742 HA SER 86 HA SER 86 0.865 -3.099 0.422 743 HB2 SER 86 2HB SER 86 -0.245 -4.493 2.051 744 HB3 SER 86 1HB SER 86 1.022 -4.187 3.239 745 HG SER 86 HG SER 86 -0.360 -2.030 2.110 746 H ASP 87 H ASP 87 0.561 -1.176 1.949 747 HA ASP 87 HA ASP 87 3.014 0.339 1.925 748 HB2 ASP 87 2HB ASP 87 1.567 2.123 3.013 749 HB3 ASP 87 1HB ASP 87 0.986 1.540 1.451 750 H ASN 88 H ASN 88 1.183 -1.429 4.285 751 HA ASN 88 HA ASN 88 2.521 -0.314 6.611 752 HB2 ASN 88 2HB ASN 88 0.295 -1.398 6.762 753 HB3 ASN 88 1HB ASN 88 1.024 -2.935 6.297 754 HD21 ASN 88 1HD2 ASN 88 1.541 -4.231 8.057 755 HD22 ASN 88 2HD2 ASN 88 1.944 -3.664 9.605 756 H ASN 89 H ASN 89 3.105 -2.990 4.387 757 HA ASN 89 HA ASN 89 5.238 -4.139 6.049 758 HB2 ASN 89 2HB ASN 89 3.727 -5.409 4.437 759 HB3 ASN 89 1HB ASN 89 4.637 -4.663 3.127 760 HD21 ASN 89 1HD2 ASN 89 5.668 -6.633 2.422 761 HD22 ASN 89 2HD2 ASN 89 6.810 -7.451 3.374 762 H ILE 90 H ILE 90 4.899 -2.022 3.267 763 HA ILE 90 HA ILE 90 7.734 -1.909 2.654 764 HB ILE 90 HB ILE 90 5.440 -0.076 1.917 765 HG12 ILE 90 2HG1 ILE 90 6.744 -2.149 0.142 766 HG13 ILE 90 1HG1 ILE 90 5.444 -2.608 1.212 767 HG21 ILE 90 1HG2 ILE 90 7.537 1.091 1.607 768 HG22 ILE 90 2HG2 ILE 90 6.961 0.581 0.021 769 HG23 ILE 90 3HG2 ILE 90 8.254 -0.314 0.819 770 HD11 ILE 90 3HD1 ILE 90 4.280 -0.463 0.028 771 HD12 ILE 90 1HD1 ILE 90 4.188 -2.091 -0.628 772 HD13 ILE 90 2HD1 ILE 90 5.376 -0.956 -1.258 773 H ARG 91 H ARG 91 5.422 0.350 4.142 774 HA ARG 91 HA ARG 91 7.298 2.345 4.908 775 HB2 ARG 91 2HB ARG 91 4.755 2.485 5.011 776 HB3 ARG 91 1HB ARG 91 4.835 1.521 6.477 777 HG2 ARG 91 2HG ARG 91 6.473 3.294 7.369 778 HG3 ARG 91 1HG ARG 91 5.959 4.290 6.009 779 HD2 ARG 91 2HD ARG 91 3.566 3.914 6.792 780 HD3 ARG 91 1HD ARG 91 4.249 3.213 8.260 781 HE ARG 91 HE ARG 91 5.435 5.779 7.806 782 HH11 ARG 91 1HH2 ARG 91 2.483 4.228 8.684 783 HH12 ARG 91 2HH2 ARG 91 1.918 5.552 9.646 784 HH21 ARG 91 1HH1 ARG 91 4.713 7.517 9.056 785 HH22 ARG 91 2HH1 ARG 91 3.181 7.414 9.857 786 H ASN 92 H ASN 92 6.358 -0.700 6.346 787 HA ASN 92 HA ASN 92 7.880 -0.232 8.822 788 HB2 ASN 92 2HB ASN 92 5.805 -1.559 8.870 789 HB3 ASN 92 1HB ASN 92 6.534 -2.741 7.781 790 HD21 ASN 92 1HD2 ASN 92 8.743 -3.651 8.651 791 HD22 ASN 92 2HD2 ASN 92 8.812 -3.977 10.316 792 H ARG 93 H ARG 93 8.236 -2.259 5.889 793 HA ARG 93 HA ARG 93 10.705 -3.452 6.865 794 HB2 ARG 93 2HB ARG 93 9.214 -4.557 5.209 795 HB3 ARG 93 1HB ARG 93 9.639 -3.316 4.033 796 HG2 ARG 93 2HG ARG 93 11.932 -4.003 3.992 797 HG3 ARG 93 1HG ARG 93 11.726 -5.018 5.419 798 HD2 ARG 93 2HD ARG 93 10.372 -6.582 4.224 799 HD3 ARG 93 1HD ARG 93 10.221 -5.503 2.841 800 HE ARG 93 HE ARG 93 12.298 -6.312 2.082 801 HH11 ARG 93 1HH2 ARG 93 11.876 -6.844 5.463 802 HH12 ARG 93 2HH2 ARG 93 13.352 -7.733 5.641 803 HH21 ARG 93 1HH1 ARG 93 14.225 -7.470 2.296 804 HH22 ARG 93 2HH1 ARG 93 14.680 -8.088 3.849 805 H TRP 94 H TRP 94 9.890 -0.660 4.887 806 HA TRP 94 HA TRP 94 12.625 -0.166 4.030 807 HB2 TRP 94 2HB TRP 94 10.696 0.691 2.744 808 HB3 TRP 94 1HB TRP 94 10.235 1.702 4.114 809 HD1 TRP 94 HD TRP 94 13.344 1.151 1.871 810 HE1 TRP 94 1HE TRP 94 14.503 3.429 1.539 811 HE3 TRP 94 3HE TRP 94 10.362 4.090 4.795 812 HZ2 TRP 94 2HZ TRP 94 14.206 6.141 2.402 813 HZ3 TRP 94 3HZ TRP 94 10.823 6.514 5.023 814 HH2 TRP 94 HH TRP 94 12.739 7.543 3.831 815 H MET 95 H MET 95 10.503 1.127 6.590 816 HA MET 95 HA MET 95 12.465 3.006 7.575 817 HB2 MET 95 2HB MET 95 9.983 1.776 8.799 818 HB3 MET 95 1HB MET 95 10.992 2.927 9.675 819 HG2 MET 95 2HG MET 95 10.660 4.597 7.908 820 HG3 MET 95 1HG MET 95 9.694 3.449 6.983 821 HE1 MET 95 3HE MET 95 8.626 5.952 7.219 822 HE2 MET 95 1HE MET 95 9.106 6.571 8.805 823 HE3 MET 95 2HE MET 95 7.402 6.325 8.430 824 H MET 96 H MET 96 11.975 -0.410 7.979 825 HA MET 96 HA MET 96 13.576 -0.611 10.425 826 HB2 MET 96 2HB MET 96 11.754 -2.244 9.802 827 HB3 MET 96 1HB MET 96 12.787 -2.807 8.488 828 HG2 MET 96 2HG MET 96 14.537 -3.422 10.095 829 HG3 MET 96 1HG MET 96 13.551 -2.808 11.423 830 HE1 MET 96 3HE MET 96 14.556 -5.143 12.025 831 HE2 MET 96 1HE MET 96 13.483 -6.548 12.067 832 HE3 MET 96 2HE MET 96 13.039 -5.072 12.919 833 H ILE 97 H ILE 97 14.009 -1.181 6.947 834 HA ILE 97 HA ILE 97 16.818 -1.951 7.312 835 HB ILE 97 HB ILE 97 15.237 -1.392 4.786 836 HG12 ILE 97 2HG1 ILE 97 16.024 -4.055 6.009 837 HG13 ILE 97 1HG1 ILE 97 14.444 -3.310 6.256 838 HG21 ILE 97 1HG2 ILE 97 17.108 -2.768 3.760 839 HG22 ILE 97 2HG2 ILE 97 17.967 -2.608 5.292 840 HG23 ILE 97 3HG2 ILE 97 17.595 -1.174 4.336 841 HD11 ILE 97 3HD1 ILE 97 14.262 -4.869 4.410 842 HD12 ILE 97 1HD1 ILE 97 15.662 -4.152 3.611 843 HD13 ILE 97 2HD1 ILE 97 14.164 -3.234 3.758 844 H ALA 98 H ALA 98 14.963 0.905 6.480 845 HA ALA 98 HA ALA 98 17.213 2.403 5.435 846 HB1 ALA 98 1HB ALA 98 15.720 4.363 5.673 847 HB2 ALA 98 2HB ALA 98 14.575 3.372 6.574 848 HB3 ALA 98 3HB ALA 98 14.895 3.023 4.876 849 H ARG 99 H ARG 99 16.179 1.515 8.582 850 HA ARG 99 HA ARG 99 17.208 3.759 10.030 851 HB2 ARG 99 2HB ARG 99 15.591 1.877 10.788 852 HB3 ARG 99 1HB ARG 99 17.043 0.926 11.083 853 HG2 ARG 99 2HG ARG 99 17.882 2.635 12.624 854 HG3 ARG 99 1HG ARG 99 16.486 3.658 12.282 855 HD2 ARG 99 2HD ARG 99 15.912 2.558 14.294 856 HD3 ARG 99 1HD ARG 99 15.055 1.641 13.057 857 HE ARG 99 HE ARG 99 17.645 0.484 13.483 858 HH11 ARG 99 1HH2 ARG 99 14.545 0.934 14.926 859 HH12 ARG 99 2HH2 ARG 99 14.620 -0.523 15.859 860 HH21 ARG 99 1HH1 ARG 99 17.760 -1.422 14.693 861 HH22 ARG 99 2HH1 ARG 99 16.439 -1.858 15.726 862 H HIS 100 H HIS 100 18.627 1.046 8.453 863 HA HIS 100 HA HIS 100 21.115 1.106 9.992 864 HB2 HIS 100 2HB HIS 100 20.198 -0.977 8.904 865 HB3 HIS 100 1HB HIS 100 20.561 -0.249 7.339 866 HD1 HIS 100 1HD HIS 100 22.782 -0.927 6.450 867 HD2 HIS 100 2HD HIS 100 22.764 -0.885 10.621 868 HE1 HIS 100 1HE HIS 100 25.092 -1.664 7.186 869 HE2 HIS 100 2HE HIS 100 25.092 -1.642 9.722 870 H ARG 101 H ARG 101 19.887 2.285 6.900 871 HA ARG 101 HA ARG 101 22.494 3.351 6.087 872 HB2 ARG 101 2HB ARG 101 19.758 3.918 4.911 873 HB3 ARG 101 1HB ARG 101 21.321 4.183 4.136 874 HG2 ARG 101 2HG ARG 101 21.772 1.752 4.225 875 HG3 ARG 101 1HG ARG 101 20.192 1.494 4.968 876 HD2 ARG 101 2HD ARG 101 19.161 2.609 2.946 877 HD3 ARG 101 1HD ARG 101 20.757 2.577 2.197 878 HE ARG 101 HE ARG 101 18.978 0.305 2.490 879 HH11 ARG 101 1HH2 ARG 101 22.256 1.375 2.426 880 HH12 ARG 101 2HH2 ARG 101 22.880 -0.144 1.875 881 HH21 ARG 101 1HH1 ARG 101 19.775 -1.683 1.771 882 HH22 ARG 101 2HH1 ARG 101 21.476 -1.875 1.504 883 H ALA 102 H ALA 102 19.841 4.371 8.007 884 HA ALA 102 HA ALA 102 20.180 7.233 7.606 885 HB1 ALA 102 1HB ALA 102 18.694 7.444 9.560 886 HB2 ALA 102 2HB ALA 102 18.863 5.719 9.882 887 HB3 ALA 102 3HB ALA 102 18.050 6.267 8.416 888 H LYS 103 H LYS 103 22.008 4.881 9.203 889 HA LYS 103 HA LYS 103 22.889 6.420 11.481 890 HB2 LYS 103 2HB LYS 103 24.018 4.033 10.004 891 HB3 LYS 103 1HB LYS 103 24.818 4.733 11.411 892 HG2 LYS 103 2HG LYS 103 22.848 4.328 12.787 893 HG3 LYS 103 1HG LYS 103 21.949 3.751 11.384 894 HD2 LYS 103 2HD LYS 103 23.438 1.854 11.135 895 HD3 LYS 103 1HD LYS 103 24.498 2.468 12.406 896 HE2 LYS 103 2HE LYS 103 21.589 1.736 12.838 897 HE3 LYS 103 1HE LYS 103 22.940 0.657 13.186 898 HZ1 LYS 103 3HZ LYS 103 23.472 3.154 14.336 899 HZ2 LYS 103 1HZ LYS 103 23.216 1.671 15.117 900 HZ3 LYS 103 2HZ LYS 103 21.900 2.695 14.789 901 H HIS 104 H HIS 104 23.133 7.279 8.402 902 HA HIS 104 HA HIS 104 24.631 8.563 7.133 903 HB2 HIS 104 2HB HIS 104 25.365 9.349 9.965 904 HB3 HIS 104 1HB HIS 104 26.000 10.166 8.537 905 HD1 HIS 104 1HD HIS 104 24.552 12.186 9.852 906 HD2 HIS 104 2HD HIS 104 22.403 9.261 7.795 907 HE1 HIS 104 1HE HIS 104 22.241 13.145 9.448 908 HE2 HIS 104 2HE HIS 104 20.926 11.373 8.197 909 H GLN 105 H GLN 105 25.478 5.819 8.199 910 HA GLN 105 HA GLN 105 28.227 5.749 8.811 911 HB2 GLN 105 2HB GLN 105 26.651 3.784 8.782 912 HB3 GLN 105 1HB GLN 105 26.771 3.785 7.022 913 HG2 GLN 105 2HG GLN 105 29.197 3.450 7.161 914 HG3 GLN 105 1HG GLN 105 29.118 3.508 8.923 915 HE21 GLN 105 1HE2 GLN 105 29.287 1.418 9.736 916 HE22 GLN 105 2HE2 GLN 105 28.538 0.048 9.070 917 H LYS 106 H LYS 106 26.608 6.142 5.693 918 HA LYS 106 HA LYS 106 28.905 5.796 4.029 919 HB2 LYS 106 2HB LYS 106 26.646 7.729 3.450 920 HB3 LYS 106 1HB LYS 106 27.622 6.818 2.297 921 HG2 LYS 106 2HG LYS 106 25.597 5.680 4.249 922 HG3 LYS 106 1HG LYS 106 25.438 5.762 2.495 923 HD2 LYS 106 2HD LYS 106 27.597 4.350 2.405 924 HD3 LYS 106 1HD LYS 106 27.330 4.050 4.122 925 HE2 LYS 106 2HE LYS 106 26.310 2.232 2.918 926 HE3 LYS 106 1HE LYS 106 25.005 3.250 3.528 927 HZ1 LYS 106 3HZ LYS 106 24.304 3.441 1.451 928 HZ2 LYS 106 1HZ LYS 106 25.656 2.610 0.852 929 HZ3 LYS 106 2HZ LYS 106 25.725 4.293 1.072 930 H SER 107 H SER 107 28.029 8.308 6.209 931 HA SER 107 HA SER 107 29.302 10.551 5.018 932 HB2 SER 107 2HB SER 107 29.425 11.466 7.278 933 HB3 SER 107 1HB SER 107 27.882 10.643 7.070 934 HG SER 107 HG SER 107 29.649 8.852 7.883 Start of MODEL 13 1 H1 LYS 1 1HT LYS 1 0.812 8.199 0.825 2 H2 LYS 1 2HT LYS 1 0.067 9.699 1.107 3 H3 LYS 1 3HT LYS 1 -0.199 8.879 -0.356 4 HA LYS 1 HA LYS 1 -0.983 7.025 1.409 5 HB2 LYS 1 2HB LYS 1 -0.649 8.757 3.223 6 HB3 LYS 1 1HB LYS 1 -1.924 9.707 2.461 7 HG2 LYS 1 2HG LYS 1 -3.566 8.015 2.875 8 HG3 LYS 1 1HG LYS 1 -2.337 6.832 3.321 9 HD2 LYS 1 2HD LYS 1 -3.504 7.788 5.305 10 HD3 LYS 1 1HD LYS 1 -1.771 8.114 5.319 11 HE2 LYS 1 2HE LYS 1 -3.683 10.119 4.115 12 HE3 LYS 1 1HE LYS 1 -3.409 10.077 5.856 13 HZ1 LYS 1 2HZ LYS 1 -0.910 9.925 4.746 14 HZ2 LYS 1 3HZ LYS 1 -1.613 11.290 5.475 15 HZ3 LYS 1 1HZ LYS 1 -1.722 11.077 3.796 16 H VAL 2 H VAL 2 -3.393 6.738 1.260 17 HA VAL 2 HA VAL 2 -4.353 7.743 -1.344 18 HB VAL 2 HB VAL 2 -5.784 5.916 0.606 19 HG11 VAL 2 1HG1 VAL 2 -7.252 6.689 -1.132 20 HG12 VAL 2 2HG1 VAL 2 -6.759 5.059 -1.582 21 HG13 VAL 2 3HG1 VAL 2 -6.019 6.450 -2.370 22 HG21 VAL 2 3HG2 VAL 2 -3.625 4.922 0.192 23 HG22 VAL 2 1HG2 VAL 2 -3.726 5.293 -1.529 24 HG23 VAL 2 2HG2 VAL 2 -4.793 4.080 -0.825 25 H LYS 3 H LYS 3 -6.652 8.581 -1.462 26 HA LYS 3 HA LYS 3 -6.966 10.884 0.138 27 HB2 LYS 3 2HB LYS 3 -8.437 9.547 -1.971 28 HB3 LYS 3 1HB LYS 3 -9.587 10.060 -0.747 29 HG2 LYS 3 2HG LYS 3 -9.389 11.877 -2.294 30 HG3 LYS 3 1HG LYS 3 -8.507 12.359 -0.850 31 HD2 LYS 3 2HD LYS 3 -6.933 12.907 -2.487 32 HD3 LYS 3 1HD LYS 3 -6.435 11.257 -2.128 33 HE2 LYS 3 2HE LYS 3 -6.581 11.636 -4.563 34 HE3 LYS 3 1HE LYS 3 -7.763 10.438 -4.044 35 HZ1 LYS 3 3HZ LYS 3 -9.466 11.780 -4.547 36 HZ2 LYS 3 1HZ LYS 3 -8.343 12.590 -5.526 37 HZ3 LYS 3 2HZ LYS 3 -8.688 13.176 -3.969 38 H PHE 4 H PHE 4 -8.649 7.713 0.490 39 HA PHE 4 HA PHE 4 -9.916 8.607 2.949 40 HB2 PHE 4 2HB PHE 4 -10.420 6.148 3.285 41 HB3 PHE 4 1HB PHE 4 -11.106 6.882 1.861 42 HD1 PHE 4 2HD PHE 4 -8.096 4.933 3.001 43 HD2 PHE 4 1HD PHE 4 -10.780 5.860 -0.230 44 HE1 PHE 4 2HE PHE 4 -7.040 3.171 1.596 45 HE2 PHE 4 1HE PHE 4 -9.728 4.094 -1.617 46 HZ PHE 4 HZ PHE 4 -7.864 2.755 -0.712 47 H THR 5 H THR 5 -9.528 7.611 5.062 48 HA THR 5 HA THR 5 -6.623 7.548 5.629 49 HB THR 5 HB THR 5 -7.888 9.003 7.050 50 HG1 THR 5 1HG THR 5 -7.690 7.669 9.097 51 HG21 THR 5 3HG2 THR 5 -9.724 8.045 8.484 52 HG22 THR 5 1HG2 THR 5 -9.638 6.582 7.506 53 HG23 THR 5 2HG2 THR 5 -10.105 8.110 6.763 54 H GLU 6 H GLU 6 -5.794 5.979 7.141 55 HA GLU 6 HA GLU 6 -6.044 3.318 6.358 56 HB2 GLU 6 2HB GLU 6 -5.271 4.488 9.043 57 HB3 GLU 6 1HB GLU 6 -5.145 2.764 8.688 58 HG2 GLU 6 2HG GLU 6 -2.995 3.873 8.269 59 HG3 GLU 6 1HG GLU 6 -3.681 3.282 6.755 60 H GLU 7 H GLU 7 -7.883 4.988 8.930 61 HA GLU 7 HA GLU 7 -9.268 2.818 10.030 62 HB2 GLU 7 2HB GLU 7 -10.596 5.453 9.345 63 HB3 GLU 7 1HB GLU 7 -11.002 4.357 10.664 64 HG2 GLU 7 2HG GLU 7 -8.420 5.925 10.378 65 HG3 GLU 7 1HG GLU 7 -9.714 6.249 11.531 66 H GLU 8 H GLU 8 -9.858 4.489 6.962 67 HA GLU 8 HA GLU 8 -12.303 3.116 6.326 68 HB2 GLU 8 2HB GLU 8 -11.368 5.220 5.238 69 HB3 GLU 8 1HB GLU 8 -10.237 4.166 4.387 70 HG2 GLU 8 2HG GLU 8 -12.108 4.513 2.921 71 HG3 GLU 8 1HG GLU 8 -12.242 2.869 3.543 72 H ASP 9 H ASP 9 -8.898 2.597 5.411 73 HA ASP 9 HA ASP 9 -9.091 0.357 3.774 74 HB2 ASP 9 2HB ASP 9 -6.931 1.357 4.336 75 HB3 ASP 9 1HB ASP 9 -7.075 0.779 5.994 76 H LEU 10 H LEU 10 -9.681 0.533 7.214 77 HA LEU 10 HA LEU 10 -9.729 -2.360 7.616 78 HB2 LEU 10 2HB LEU 10 -11.200 -0.453 9.440 79 HB3 LEU 10 1HB LEU 10 -10.259 -1.887 9.853 80 HG LEU 10 HG LEU 10 -9.166 0.766 8.904 81 HD11 LEU 10 1HD1 LEU 10 -9.009 -0.664 11.559 82 HD12 LEU 10 2HD1 LEU 10 -9.915 0.810 11.217 83 HD13 LEU 10 3HD1 LEU 10 -8.153 0.825 11.159 84 HD21 LEU 10 3HD2 LEU 10 -7.820 -1.873 9.513 85 HD22 LEU 10 1HD2 LEU 10 -6.942 -0.345 9.478 86 HD23 LEU 10 2HD2 LEU 10 -7.727 -0.944 8.019 87 H LYS 11 H LYS 11 -12.081 0.213 6.975 88 HA LYS 11 HA LYS 11 -14.447 -1.367 7.246 89 HB2 LYS 11 2HB LYS 11 -13.986 0.883 5.263 90 HB3 LYS 11 1HB LYS 11 -15.538 0.331 5.880 91 HG2 LYS 11 2HG LYS 11 -13.345 1.449 7.654 92 HG3 LYS 11 1HG LYS 11 -14.636 2.436 6.974 93 HD2 LYS 11 2HD LYS 11 -16.269 0.763 8.061 94 HD3 LYS 11 1HD LYS 11 -14.876 0.166 8.961 95 HE2 LYS 11 2HE LYS 11 -15.987 1.833 10.318 96 HE3 LYS 11 1HE LYS 11 -14.461 2.513 9.752 97 HZ1 LYS 11 3HZ LYS 11 -15.756 4.200 9.096 98 HZ2 LYS 11 1HZ LYS 11 -17.176 3.271 9.105 99 HZ3 LYS 11 2HZ LYS 11 -16.124 3.200 7.773 100 H LEU 12 H LEU 12 -12.087 -1.045 4.662 101 HA LEU 12 HA LEU 12 -13.602 -2.396 2.637 102 HB2 LEU 12 2HB LEU 12 -10.587 -2.435 2.895 103 HB3 LEU 12 1HB LEU 12 -11.556 -2.501 1.425 104 HG LEU 12 HG LEU 12 -11.302 -0.142 3.293 105 HD11 LEU 12 1HD1 LEU 12 -10.513 -0.343 0.385 106 HD12 LEU 12 2HD1 LEU 12 -9.386 -0.703 1.691 107 HD13 LEU 12 3HD1 LEU 12 -10.076 0.912 1.544 108 HD21 LEU 12 3HD2 LEU 12 -12.628 0.988 1.388 109 HD22 LEU 12 1HD2 LEU 12 -13.527 -0.055 2.487 110 HD23 LEU 12 2HD2 LEU 12 -13.064 -0.648 0.891 111 H GLN 13 H GLN 13 -11.162 -3.564 4.995 112 HA GLN 13 HA GLN 13 -11.115 -6.255 4.165 113 HB2 GLN 13 2HB GLN 13 -9.626 -5.485 5.918 114 HB3 GLN 13 1HB GLN 13 -10.984 -5.076 6.960 115 HG2 GLN 13 2HG GLN 13 -9.846 -7.233 7.571 116 HG3 GLN 13 1HG GLN 13 -11.564 -7.417 7.233 117 HE21 GLN 13 1HE2 GLN 13 -12.176 -8.677 5.394 118 HE22 GLN 13 2HE2 GLN 13 -11.053 -9.497 4.422 119 H GLN 14 H GLN 14 -13.554 -4.540 6.058 120 HA GLN 14 HA GLN 14 -15.099 -6.980 6.607 121 HB2 GLN 14 2HB GLN 14 -15.946 -4.094 6.860 122 HB3 GLN 14 1HB GLN 14 -16.732 -5.496 7.587 123 HG2 GLN 14 2HG GLN 14 -13.881 -4.634 8.166 124 HG3 GLN 14 1HG GLN 14 -15.262 -4.277 9.203 125 HE21 GLN 14 1HE2 GLN 14 -13.225 -6.925 7.972 126 HE22 GLN 14 2HE2 GLN 14 -13.719 -8.066 9.126 127 H LEU 15 H LEU 15 -15.833 -4.013 4.697 128 HA LEU 15 HA LEU 15 -18.167 -5.102 3.489 129 HB2 LEU 15 2HB LEU 15 -16.287 -2.845 2.824 130 HB3 LEU 15 1HB LEU 15 -17.452 -3.336 1.597 131 HG LEU 15 HG LEU 15 -19.289 -3.034 3.251 132 HD11 LEU 15 1HD1 LEU 15 -18.029 -3.426 5.309 133 HD12 LEU 15 2HD1 LEU 15 -18.763 -1.824 5.363 134 HD13 LEU 15 3HD1 LEU 15 -17.045 -1.994 5.005 135 HD21 LEU 15 3HD2 LEU 15 -18.851 -1.176 1.797 136 HD22 LEU 15 1HD2 LEU 15 -17.437 -0.693 2.734 137 HD23 LEU 15 2HD2 LEU 15 -19.053 -0.504 3.415 138 H VAL 16 H VAL 16 -14.828 -4.939 2.248 139 HA VAL 16 HA VAL 16 -15.250 -6.327 -0.172 140 HB VAL 16 HB VAL 16 -12.813 -6.504 1.623 141 HG11 VAL 16 1HG1 VAL 16 -13.263 -7.020 -1.313 142 HG12 VAL 16 2HG1 VAL 16 -12.723 -8.175 -0.099 143 HG13 VAL 16 3HG1 VAL 16 -11.666 -6.852 -0.589 144 HG21 VAL 16 3HG2 VAL 16 -13.339 -4.603 -0.673 145 HG22 VAL 16 1HG2 VAL 16 -11.988 -4.566 0.453 146 HG23 VAL 16 2HG2 VAL 16 -13.612 -4.150 0.998 147 H MET 17 H MET 17 -14.850 -7.559 3.153 148 HA MET 17 HA MET 17 -14.619 -10.314 2.356 149 HB2 MET 17 2HB MET 17 -13.975 -9.620 4.598 150 HB3 MET 17 1HB MET 17 -15.605 -9.045 4.929 151 HG2 MET 17 2HG MET 17 -16.498 -11.257 4.866 152 HG3 MET 17 1HG MET 17 -15.003 -11.911 4.198 153 HE1 MET 17 3HE MET 17 -14.857 -13.627 7.551 154 HE2 MET 17 1HE MET 17 -14.126 -13.675 5.940 155 HE3 MET 17 2HE MET 17 -15.875 -13.551 6.116 156 H ARG 18 H ARG 18 -17.318 -8.105 2.835 157 HA ARG 18 HA ARG 18 -19.337 -10.232 2.705 158 HB2 ARG 18 2HB ARG 18 -19.665 -8.056 3.932 159 HB3 ARG 18 1HB ARG 18 -19.712 -7.244 2.367 160 HG2 ARG 18 2HG ARG 18 -21.649 -8.545 1.690 161 HG3 ARG 18 1HG ARG 18 -21.557 -9.514 3.161 162 HD2 ARG 18 2HD ARG 18 -22.069 -6.527 3.052 163 HD3 ARG 18 1HD ARG 18 -23.284 -7.764 3.369 164 HE ARG 18 HE ARG 18 -21.226 -8.145 5.263 165 HH11 ARG 18 1HH2 ARG 18 -23.521 -5.759 4.297 166 HH12 ARG 18 2HH2 ARG 18 -23.685 -5.084 5.883 167 HH21 ARG 18 1HH1 ARG 18 -21.429 -7.276 7.339 168 HH22 ARG 18 2HH1 ARG 18 -22.501 -5.943 7.605 169 H TYR 19 H TYR 19 -17.869 -7.906 0.458 170 HA TYR 19 HA TYR 19 -19.654 -8.828 -1.743 171 HB2 TYR 19 2HB TYR 19 -17.477 -6.713 -1.733 172 HB3 TYR 19 1HB TYR 19 -18.623 -7.023 -3.035 173 HD1 TYR 19 1HD TYR 19 -21.167 -7.003 -2.347 174 HD2 TYR 19 2HD TYR 19 -18.041 -5.080 -0.112 175 HE1 TYR 19 1HE TYR 19 -22.845 -5.563 -1.232 176 HE2 TYR 19 2HE TYR 19 -19.722 -3.642 0.998 177 HH TYR 19 HH TYR 19 -22.936 -4.272 1.052 178 H GLY 20 H GLY 20 -16.744 -9.712 -0.354 179 HA2 GLY 20 2HA GLY 20 -15.283 -11.437 -1.071 180 HA3 GLY 20 1HA GLY 20 -16.041 -11.387 -2.665 181 H ALA 21 H ALA 21 -15.630 -9.267 -3.864 182 HA ALA 21 HA ALA 21 -13.732 -7.355 -3.573 183 HB1 ALA 21 1HB ALA 21 -12.369 -10.007 -3.997 184 HB2 ALA 21 2HB ALA 21 -11.871 -8.656 -2.979 185 HB3 ALA 21 3HB ALA 21 -11.648 -8.567 -4.718 186 H LYS 22 H LYS 22 -15.929 -7.635 -5.161 187 HA LYS 22 HA LYS 22 -14.774 -7.152 -7.841 188 HB2 LYS 22 2HB LYS 22 -16.198 -8.756 -8.978 189 HB3 LYS 22 1HB LYS 22 -15.220 -9.592 -7.772 190 HG2 LYS 22 2HG LYS 22 -17.188 -9.354 -6.175 191 HG3 LYS 22 1HG LYS 22 -18.140 -8.816 -7.560 192 HD2 LYS 22 2HD LYS 22 -17.678 -10.920 -8.729 193 HD3 LYS 22 1HD LYS 22 -16.665 -11.460 -7.389 194 HE2 LYS 22 2HE LYS 22 -18.887 -12.458 -7.180 195 HE3 LYS 22 1HE LYS 22 -18.639 -11.299 -5.875 196 HZ1 LYS 22 3HZ LYS 22 -19.795 -9.635 -7.278 197 HZ2 LYS 22 1HZ LYS 22 -20.784 -10.929 -6.801 198 HZ3 LYS 22 2HZ LYS 22 -20.166 -10.872 -8.383 199 H ASP 23 H ASP 23 -17.076 -6.391 -5.490 200 HA ASP 23 HA ASP 23 -18.855 -5.013 -7.478 201 HB2 ASP 23 2HB ASP 23 -19.437 -5.403 -4.532 202 HB3 ASP 23 1HB ASP 23 -20.567 -5.025 -5.830 203 H TRP 24 H TRP 24 -16.395 -3.897 -7.113 204 HA TRP 24 HA TRP 24 -16.188 -2.044 -4.952 205 HB2 TRP 24 2HB TRP 24 -15.004 -1.941 -7.739 206 HB3 TRP 24 1HB TRP 24 -14.495 -0.918 -6.390 207 HD1 TRP 24 HD TRP 24 -14.102 -4.374 -7.819 208 HE1 TRP 24 1HE TRP 24 -12.576 -5.771 -6.279 209 HE3 TRP 24 3HE TRP 24 -13.826 -1.231 -3.834 210 HZ2 TRP 24 2HZ TRP 24 -11.391 -5.555 -3.661 211 HZ3 TRP 24 3HZ TRP 24 -12.499 -1.823 -1.837 212 HH2 TRP 24 HH TRP 24 -11.292 -3.979 -1.736 213 H ILE 25 H ILE 25 -17.899 -1.908 -8.003 214 HA ILE 25 HA ILE 25 -18.343 0.919 -8.043 215 HB ILE 25 HB ILE 25 -20.414 0.214 -9.415 216 HG12 ILE 25 2HG1 ILE 25 -19.089 -2.506 -9.225 217 HG13 ILE 25 1HG1 ILE 25 -20.526 -2.064 -8.304 218 HG21 ILE 25 1HG2 ILE 25 -17.702 -0.848 -10.263 219 HG22 ILE 25 2HG2 ILE 25 -18.229 0.827 -10.422 220 HG23 ILE 25 3HG2 ILE 25 -19.038 -0.442 -11.340 221 HD11 ILE 25 3HD1 ILE 25 -21.162 -3.225 -10.374 222 HD12 ILE 25 1HD1 ILE 25 -20.281 -2.030 -11.325 223 HD13 ILE 25 2HD1 ILE 25 -21.712 -1.549 -10.413 224 H ARG 26 H ARG 26 -19.808 -1.783 -6.376 225 HA ARG 26 HA ARG 26 -22.067 -0.233 -5.394 226 HB2 ARG 26 2HB ARG 26 -22.057 -2.762 -5.739 227 HB3 ARG 26 1HB ARG 26 -21.035 -2.866 -4.307 228 HG2 ARG 26 2HG ARG 26 -22.751 -1.817 -2.940 229 HG3 ARG 26 1HG ARG 26 -23.756 -1.528 -4.360 230 HD2 ARG 26 2HD ARG 26 -23.795 -4.026 -4.734 231 HD3 ARG 26 1HD ARG 26 -23.001 -4.209 -3.172 232 HE ARG 26 HE ARG 26 -25.802 -3.614 -3.579 233 HH11 ARG 26 1HH2 ARG 26 -23.043 -3.047 -1.591 234 HH12 ARG 26 2HH2 ARG 26 -23.971 -2.742 -0.161 235 HH21 ARG 26 1HH1 ARG 26 -27.030 -3.218 -1.724 236 HH22 ARG 26 2HH1 ARG 26 -26.228 -2.838 -0.236 237 H ILE 27 H ILE 27 -19.145 -1.675 -3.922 238 HA ILE 27 HA ILE 27 -19.412 -0.532 -1.375 239 HB ILE 27 HB ILE 27 -16.859 -0.989 -2.939 240 HG12 ILE 27 2HG1 ILE 27 -18.235 -2.785 -0.932 241 HG13 ILE 27 1HG1 ILE 27 -18.439 -2.956 -2.676 242 HG21 ILE 27 1HG2 ILE 27 -16.376 0.388 -1.028 243 HG22 ILE 27 2HG2 ILE 27 -15.911 -1.255 -0.595 244 HG23 ILE 27 3HG2 ILE 27 -17.423 -0.580 0.008 245 HD11 ILE 27 3HD1 ILE 27 -15.941 -3.171 -2.878 246 HD12 ILE 27 1HD1 ILE 27 -16.691 -4.482 -1.970 247 HD13 ILE 27 2HD1 ILE 27 -15.848 -3.189 -1.118 248 H SER 28 H SER 28 -18.297 0.879 -4.383 249 HA SER 28 HA SER 28 -17.245 3.300 -3.177 250 HB2 SER 28 2HB SER 28 -18.015 2.551 -6.004 251 HB3 SER 28 1HB SER 28 -17.388 4.142 -5.583 252 HG SER 28 HG SER 28 -15.469 3.304 -5.256 253 H GLN 29 H GLN 29 -20.390 2.245 -4.366 254 HA GLN 29 HA GLN 29 -21.591 4.854 -4.529 255 HB2 GLN 29 2HB GLN 29 -22.717 2.084 -4.075 256 HB3 GLN 29 1HB GLN 29 -23.765 3.499 -4.054 257 HG2 GLN 29 2HG GLN 29 -21.865 3.056 -6.364 258 HG3 GLN 29 1HG GLN 29 -23.414 2.220 -6.321 259 HE21 GLN 29 1HE2 GLN 29 -22.111 4.810 -7.762 260 HE22 GLN 29 2HE2 GLN 29 -23.421 5.888 -7.745 261 H LEU 30 H LEU 30 -21.034 2.623 -1.858 262 HA LEU 30 HA LEU 30 -22.579 4.167 0.064 263 HB2 LEU 30 2HB LEU 30 -20.303 2.309 0.793 264 HB3 LEU 30 1HB LEU 30 -21.796 2.625 1.680 265 HG LEU 30 HG LEU 30 -21.535 1.123 -0.942 266 HD11 LEU 30 1HD1 LEU 30 -22.485 0.200 1.783 267 HD12 LEU 30 2HD1 LEU 30 -20.854 -0.065 1.163 268 HD13 LEU 30 3HD1 LEU 30 -22.237 -0.800 0.352 269 HD21 LEU 30 3HD2 LEU 30 -24.021 0.698 -0.525 270 HD22 LEU 30 1HD2 LEU 30 -23.607 2.334 -1.032 271 HD23 LEU 30 2HD2 LEU 30 -23.953 1.998 0.664 272 H MET 31 H MET 31 -19.212 3.976 -0.953 273 HA MET 31 HA MET 31 -18.603 6.475 0.614 274 HB2 MET 31 2HB MET 31 -16.725 4.193 -0.075 275 HB3 MET 31 1HB MET 31 -16.300 5.652 0.820 276 HG2 MET 31 2HG MET 31 -17.866 5.058 2.599 277 HG3 MET 31 1HG MET 31 -18.395 3.641 1.692 278 HE1 MET 31 3HE MET 31 -17.642 1.643 3.520 279 HE2 MET 31 1HE MET 31 -17.910 3.211 4.293 280 HE3 MET 31 2HE MET 31 -16.506 2.239 4.727 281 H ILE 32 H ILE 32 -19.597 7.071 -1.730 282 HA ILE 32 HA ILE 32 -18.072 6.868 -4.087 283 HB ILE 32 HB ILE 32 -19.116 9.134 -4.646 284 HG12 ILE 32 2HG1 ILE 32 -20.448 8.728 -1.951 285 HG13 ILE 32 1HG1 ILE 32 -19.125 9.862 -2.215 286 HG21 ILE 32 1HG2 ILE 32 -20.223 6.957 -5.126 287 HG22 ILE 32 2HG2 ILE 32 -21.390 8.218 -4.727 288 HG23 ILE 32 3HG2 ILE 32 -20.962 7.001 -3.525 289 HD11 ILE 32 3HD1 ILE 32 -21.313 10.989 -2.382 290 HD12 ILE 32 1HD1 ILE 32 -21.775 9.891 -3.683 291 HD13 ILE 32 2HD1 ILE 32 -20.451 11.032 -3.920 292 H THR 33 H THR 33 -17.226 8.355 -1.168 293 HA THR 33 HA THR 33 -15.732 10.609 -1.866 294 HB THR 33 HB THR 33 -14.877 8.492 0.131 295 HG1 THR 33 1HG THR 33 -16.977 10.250 0.052 296 HG21 THR 33 3HG2 THR 33 -13.130 10.098 -0.133 297 HG22 THR 33 1HG2 THR 33 -14.007 10.577 1.317 298 HG23 THR 33 2HG2 THR 33 -14.273 11.439 -0.198 299 H ARG 34 H ARG 34 -15.250 7.438 -2.989 300 HA ARG 34 HA ARG 34 -12.726 8.268 -4.288 301 HB2 ARG 34 2HB ARG 34 -12.319 7.057 -1.961 302 HB3 ARG 34 1HB ARG 34 -12.697 5.598 -2.870 303 HG2 ARG 34 2HG ARG 34 -10.385 5.700 -3.200 304 HG3 ARG 34 1HG ARG 34 -10.938 6.598 -4.606 305 HD2 ARG 34 2HD ARG 34 -10.568 8.719 -3.434 306 HD3 ARG 34 1HD ARG 34 -10.092 7.846 -1.977 307 HE ARG 34 HE ARG 34 -7.982 7.458 -2.960 308 HH11 ARG 34 1HH2 ARG 34 -10.338 8.438 -5.278 309 HH12 ARG 34 2HH2 ARG 34 -9.198 8.582 -6.573 310 HH21 ARG 34 1HH1 ARG 34 -6.479 7.641 -4.636 311 HH22 ARG 34 2HH1 ARG 34 -7.012 8.131 -6.210 312 H ASN 35 H ASN 35 -12.093 6.699 -6.009 313 HA ASN 35 HA ASN 35 -14.496 5.633 -7.324 314 HB2 ASN 35 2HB ASN 35 -11.778 6.436 -8.113 315 HB3 ASN 35 1HB ASN 35 -12.250 4.934 -8.895 316 HD21 ASN 35 1HD2 ASN 35 -12.558 5.876 -11.004 317 HD22 ASN 35 2HD2 ASN 35 -13.798 6.986 -11.333 318 HA PRO 36 HA PRO 36 -14.179 1.417 -6.184 319 HB2 PRO 36 2HB PRO 36 -14.331 0.085 -8.644 320 HB3 PRO 36 1HB PRO 36 -15.718 0.739 -7.758 321 HG2 PRO 36 2HG PRO 36 -14.215 1.917 -10.046 322 HG3 PRO 36 1HG PRO 36 -15.960 1.923 -9.720 323 HD2 PRO 36 2HD PRO 36 -14.434 4.110 -9.243 324 HD3 PRO 36 1HD PRO 36 -15.802 3.692 -8.189 325 H ARG 37 H ARG 37 -12.263 1.756 -9.203 326 HA ARG 37 HA ARG 37 -10.410 -0.296 -8.676 327 HB2 ARG 37 2HB ARG 37 -9.944 2.339 -10.104 328 HB3 ARG 37 1HB ARG 37 -8.885 0.932 -10.204 329 HG2 ARG 37 2HG ARG 37 -10.750 -0.406 -11.119 330 HG3 ARG 37 1HG ARG 37 -11.802 1.009 -11.034 331 HD2 ARG 37 2HD ARG 37 -10.139 2.211 -12.520 332 HD3 ARG 37 1HD ARG 37 -9.325 0.662 -12.743 333 HE ARG 37 HE ARG 37 -11.796 1.468 -14.018 334 HH11 ARG 37 1HH2 ARG 37 -10.031 -1.161 -12.652 335 HH12 ARG 37 2HH2 ARG 37 -10.810 -2.362 -13.626 336 HH21 ARG 37 1HH1 ARG 37 -12.822 -0.086 -15.297 337 HH22 ARG 37 2HH1 ARG 37 -12.390 -1.754 -15.123 338 H GLN 38 H GLN 38 -10.606 2.928 -7.332 339 HA GLN 38 HA GLN 38 -7.913 3.063 -6.335 340 HB2 GLN 38 2HB GLN 38 -10.368 4.392 -5.174 341 HB3 GLN 38 1HB GLN 38 -8.694 4.907 -4.978 342 HG2 GLN 38 2HG GLN 38 -10.153 4.772 -7.636 343 HG3 GLN 38 1HG GLN 38 -9.906 6.243 -6.699 344 HE21 GLN 38 1HE2 GLN 38 -7.910 7.306 -6.909 345 HE22 GLN 38 2HE2 GLN 38 -6.600 6.696 -7.799 346 H CYS 39 H CYS 39 -10.984 2.095 -4.697 347 HA CYS 39 HA CYS 39 -9.588 1.399 -2.262 348 HB2 CYS 39 2HB CYS 39 -12.293 0.460 -3.245 349 HB3 CYS 39 1HB CYS 39 -11.703 0.394 -1.586 350 HG CYS 39 HG CYS 39 -12.562 2.984 -3.074 351 H ARG 40 H ARG 40 -10.421 -0.266 -5.239 352 HA ARG 40 HA ARG 40 -10.003 -2.921 -4.295 353 HB2 ARG 40 2HB ARG 40 -11.037 -2.482 -6.485 354 HB3 ARG 40 1HB ARG 40 -9.516 -1.803 -7.067 355 HG2 ARG 40 2HG ARG 40 -8.396 -3.919 -6.883 356 HG3 ARG 40 1HG ARG 40 -9.743 -4.627 -5.990 357 HD2 ARG 40 2HD ARG 40 -11.186 -4.379 -7.967 358 HD3 ARG 40 1HD ARG 40 -9.840 -3.674 -8.862 359 HE ARG 40 HE ARG 40 -10.239 -6.501 -8.352 360 HH11 ARG 40 1HH2 ARG 40 -7.933 -3.968 -8.754 361 HH12 ARG 40 2HH2 ARG 40 -6.680 -5.019 -9.325 362 HH21 ARG 40 1HH1 ARG 40 -8.617 -7.887 -9.095 363 HH22 ARG 40 2HH1 ARG 40 -7.068 -7.237 -9.518 364 H GLU 41 H GLU 41 -7.786 -0.616 -5.857 365 HA GLU 41 HA GLU 41 -5.449 -2.165 -5.888 366 HB2 GLU 41 2HB GLU 41 -5.863 0.788 -5.351 367 HB3 GLU 41 1HB GLU 41 -4.251 0.079 -5.459 368 HG2 GLU 41 2HG GLU 41 -4.616 -0.625 -7.723 369 HG3 GLU 41 1HG GLU 41 -6.336 -0.248 -7.631 370 H ARG 42 H ARG 42 -7.150 -0.762 -3.177 371 HA ARG 42 HA ARG 42 -4.986 -1.080 -1.273 372 HB2 ARG 42 2HB ARG 42 -7.520 0.139 -1.276 373 HB3 ARG 42 1HB ARG 42 -7.736 -1.198 -0.165 374 HG2 ARG 42 2HG ARG 42 -7.028 0.816 1.038 375 HG3 ARG 42 1HG ARG 42 -5.801 -0.436 1.154 376 HD2 ARG 42 2HD ARG 42 -5.226 2.144 0.467 377 HD3 ARG 42 1HD ARG 42 -4.255 0.776 -0.064 378 HE ARG 42 HE ARG 42 -6.498 1.476 -1.844 379 HH11 ARG 42 1HH2 ARG 42 -3.169 1.863 -1.009 380 HH12 ARG 42 2HH2 ARG 42 -2.699 2.365 -2.597 381 HH21 ARG 42 1HH1 ARG 42 -5.895 2.135 -3.913 382 HH22 ARG 42 2HH1 ARG 42 -4.238 2.521 -4.238 383 H TRP 43 H TRP 43 -7.795 -3.038 -2.218 384 HA TRP 43 HA TRP 43 -7.714 -5.144 -0.412 385 HB2 TRP 43 2HB TRP 43 -9.266 -4.869 -2.369 386 HB3 TRP 43 1HB TRP 43 -7.970 -5.402 -3.420 387 HD1 TRP 43 HD TRP 43 -9.110 -6.942 -0.040 388 HE1 TRP 43 1HE TRP 43 -9.689 -9.412 -0.458 389 HE3 TRP 43 3HE TRP 43 -8.421 -7.163 -5.093 390 HZ2 TRP 43 2HZ TRP 43 -9.845 -11.245 -2.645 391 HZ3 TRP 43 3HZ TRP 43 -8.795 -9.283 -6.319 392 HH2 TRP 43 HH TRP 43 -9.506 -11.324 -5.102 393 H ASN 44 H ASN 44 -5.903 -5.102 -3.478 394 HA ASN 44 HA ASN 44 -4.300 -7.386 -2.723 395 HB2 ASN 44 2HB ASN 44 -3.693 -5.373 -4.896 396 HB3 ASN 44 1HB ASN 44 -3.174 -7.056 -4.812 397 HD21 ASN 44 1HD2 ASN 44 -5.835 -4.941 -5.692 398 HD22 ASN 44 2HD2 ASN 44 -6.873 -6.163 -6.252 399 H ASN 45 H ASN 45 -3.689 -3.872 -2.730 400 HA ASN 45 HA ASN 45 -0.921 -4.322 -1.782 401 HB2 ASN 45 2HB ASN 45 -2.449 -1.729 -2.168 402 HB3 ASN 45 1HB ASN 45 -0.709 -1.895 -1.921 403 HD21 ASN 45 1HD2 ASN 45 -1.740 -0.661 -4.287 404 HD22 ASN 45 2HD2 ASN 45 -1.396 -1.664 -5.611 405 H TYR 46 H TYR 46 -3.554 -4.833 -0.101 406 HA TYR 46 HA TYR 46 -2.340 -3.759 2.370 407 HB2 TYR 46 2HB TYR 46 -4.239 -2.198 1.214 408 HB3 TYR 46 1HB TYR 46 -5.276 -3.226 2.198 409 HD1 TYR 46 2HD TYR 46 -3.970 -3.730 4.635 410 HD2 TYR 46 1HD TYR 46 -3.736 -0.148 2.271 411 HE1 TYR 46 2HE TYR 46 -3.367 -2.431 6.658 412 HE2 TYR 46 1HE TYR 46 -3.132 1.145 4.295 413 HH TYR 46 HH TYR 46 -2.038 0.603 6.563 414 H ILE 47 H ILE 47 -5.338 -5.427 1.233 415 HA ILE 47 HA ILE 47 -4.583 -7.695 2.980 416 HB ILE 47 HB ILE 47 -6.447 -7.722 4.374 417 HG12 ILE 47 2HG1 ILE 47 -8.238 -7.466 2.641 418 HG13 ILE 47 1HG1 ILE 47 -8.532 -6.516 4.077 419 HG21 ILE 47 1HG2 ILE 47 -5.036 -5.826 4.958 420 HG22 ILE 47 2HG2 ILE 47 -6.722 -5.463 5.312 421 HG23 ILE 47 3HG2 ILE 47 -5.955 -4.773 3.886 422 HD11 ILE 47 3HD1 ILE 47 -8.110 -4.494 3.030 423 HD12 ILE 47 1HD1 ILE 47 -8.848 -5.408 1.720 424 HD13 ILE 47 2HD1 ILE 47 -7.105 -5.216 1.789 425 H ASN 48 H ASN 48 -4.744 -9.455 1.866 426 HA ASN 48 HA ASN 48 -7.019 -10.406 0.508 427 HB2 ASN 48 2HB ASN 48 -6.911 -9.482 -1.574 428 HB3 ASN 48 1HB ASN 48 -5.519 -8.561 -1.082 429 HD21 ASN 48 1HD2 ASN 48 -3.598 -8.990 -2.176 430 HD22 ASN 48 2HD2 ASN 48 -3.312 -10.379 -3.107 431 HA PRO 49 HA PRO 49 -3.476 -13.458 0.054 432 HB2 PRO 49 2HB PRO 49 -0.920 -12.644 -0.301 433 HB3 PRO 49 1HB PRO 49 -2.140 -12.447 -1.575 434 HG2 PRO 49 2HG PRO 49 -0.862 -10.382 0.084 435 HG3 PRO 49 1HG PRO 49 -1.750 -10.199 -1.432 436 HD2 PRO 49 2HD PRO 49 -2.751 -9.872 1.334 437 HD3 PRO 49 1HD PRO 49 -3.521 -9.386 -0.184 438 H ALA 50 H ALA 50 -3.167 -11.146 2.544 439 HA ALA 50 HA ALA 50 -2.511 -11.382 4.784 440 HB1 ALA 50 1HB ALA 50 -2.469 -13.520 5.732 441 HB2 ALA 50 2HB ALA 50 -1.652 -14.243 4.348 442 HB3 ALA 50 3HB ALA 50 -3.367 -13.851 4.252 443 H LEU 51 H LEU 51 -0.835 -10.088 3.349 444 HA LEU 51 HA LEU 51 1.834 -11.350 3.259 445 HB2 LEU 51 2HB LEU 51 2.382 -8.871 2.445 446 HB3 LEU 51 1HB LEU 51 1.575 -10.007 1.370 447 HG LEU 51 HG LEU 51 -0.610 -9.054 1.950 448 HD11 LEU 51 1HD1 LEU 51 -0.335 -8.400 4.230 449 HD12 LEU 51 2HD1 LEU 51 -0.601 -6.909 3.328 450 HD13 LEU 51 3HD1 LEU 51 1.029 -7.355 3.834 451 HD21 LEU 51 3HD2 LEU 51 1.272 -6.779 1.372 452 HD22 LEU 51 1HD2 LEU 51 -0.375 -6.989 0.789 453 HD23 LEU 51 2HD2 LEU 51 0.917 -8.018 0.172 454 H ARG 52 H ARG 52 0.498 -10.863 5.859 455 HA ARG 52 HA ARG 52 1.572 -8.603 7.196 456 HB2 ARG 52 2HB ARG 52 -0.144 -10.378 8.030 457 HB3 ARG 52 1HB ARG 52 1.268 -11.308 8.521 458 HG2 ARG 52 2HG ARG 52 0.854 -10.102 10.482 459 HG3 ARG 52 1HG ARG 52 1.997 -9.026 9.684 460 HD2 ARG 52 2HD ARG 52 0.047 -7.780 10.546 461 HD3 ARG 52 1HD ARG 52 0.114 -7.692 8.788 462 HE ARG 52 HE ARG 52 -1.508 -9.919 9.496 463 HH11 ARG 52 1HH2 ARG 52 -1.407 -6.477 9.682 464 HH12 ARG 52 2HH2 ARG 52 -3.129 -6.292 9.635 465 HH21 ARG 52 1HH1 ARG 52 -3.756 -9.696 9.433 466 HH22 ARG 52 2HH1 ARG 52 -4.458 -8.114 9.494 467 H THR 53 H THR 53 3.218 -11.091 5.686 468 HA THR 53 HA THR 53 5.754 -10.291 6.963 469 HB THR 53 HB THR 53 4.978 -13.221 6.913 470 HG1 THR 53 1HG THR 53 4.932 -11.344 9.037 471 HG21 THR 53 3HG2 THR 53 7.379 -12.787 6.854 472 HG22 THR 53 1HG2 THR 53 6.934 -13.389 8.451 473 HG23 THR 53 2HG2 THR 53 7.237 -11.669 8.210 474 H ASP 54 H ASP 54 5.516 -9.539 4.554 475 HA ASP 54 HA ASP 54 6.879 -11.575 2.821 476 HB2 ASP 54 2HB ASP 54 4.582 -9.747 2.072 477 HB3 ASP 54 1HB ASP 54 5.579 -10.602 0.894 478 HA PRO 55 HA PRO 55 9.005 -7.438 2.947 479 HB2 PRO 55 2HB PRO 55 11.429 -8.201 3.867 480 HB3 PRO 55 1HB PRO 55 10.049 -7.989 4.964 481 HG2 PRO 55 2HG PRO 55 11.137 -10.515 3.781 482 HG3 PRO 55 1HG PRO 55 10.656 -10.181 5.457 483 HD2 PRO 55 2HD PRO 55 9.018 -11.473 3.664 484 HD3 PRO 55 1HD PRO 55 8.385 -10.492 5.006 485 H TRP 56 H TRP 56 10.106 -6.645 1.233 486 HA TRP 56 HA TRP 56 10.819 -8.413 -0.966 487 HB2 TRP 56 2HB TRP 56 11.788 -6.004 -1.777 488 HB3 TRP 56 1HB TRP 56 10.097 -6.454 -1.913 489 HD1 TRP 56 HD TRP 56 8.425 -5.532 -0.013 490 HE1 TRP 56 1HE TRP 56 8.502 -3.377 1.396 491 HE3 TRP 56 3HE TRP 56 13.347 -4.352 -0.577 492 HZ2 TRP 56 2HZ TRP 56 10.438 -1.392 2.156 493 HZ3 TRP 56 3HZ TRP 56 14.278 -2.326 0.476 494 HH2 TRP 56 HH TRP 56 12.840 -0.846 1.848 495 H SER 57 H SER 57 13.128 -7.396 -2.036 496 HA SER 57 HA SER 57 15.216 -8.001 0.044 497 HB2 SER 57 2HB SER 57 15.937 -9.750 -1.248 498 HB3 SER 57 1HB SER 57 14.480 -9.539 -2.206 499 HG SER 57 HG SER 57 16.434 -9.432 -3.437 500 HA PRO 58 HA PRO 58 17.789 -4.586 -1.089 501 HB2 PRO 58 2HB PRO 58 19.582 -6.439 -2.654 502 HB3 PRO 58 1HB PRO 58 20.024 -5.183 -1.476 503 HG2 PRO 58 2HG PRO 58 20.040 -7.717 -0.750 504 HG3 PRO 58 1HG PRO 58 19.374 -6.486 0.345 505 HD2 PRO 58 2HD PRO 58 17.909 -8.490 -1.345 506 HD3 PRO 58 1HD PRO 58 17.499 -7.864 0.267 507 H GLU 59 H GLU 59 16.534 -6.603 -3.564 508 HA GLU 59 HA GLU 59 17.334 -5.116 -5.873 509 HB2 GLU 59 2HB GLU 59 14.906 -6.884 -5.427 510 HB3 GLU 59 1HB GLU 59 15.476 -6.316 -6.996 511 HG2 GLU 59 2HG GLU 59 17.180 -7.937 -5.087 512 HG3 GLU 59 1HG GLU 59 16.241 -8.649 -6.400 513 H GLU 60 H GLU 60 14.383 -5.072 -3.820 514 HA GLU 60 HA GLU 60 13.328 -2.786 -5.328 515 HB2 GLU 60 2HB GLU 60 12.476 -3.985 -2.692 516 HB3 GLU 60 1HB GLU 60 11.591 -2.745 -3.568 517 HG2 GLU 60 2HG GLU 60 11.554 -4.344 -5.553 518 HG3 GLU 60 1HG GLU 60 12.149 -5.586 -4.452 519 H ASP 61 H ASP 61 15.447 -3.298 -2.625 520 HA ASP 61 HA ASP 61 15.139 -0.713 -1.387 521 HB2 ASP 61 2HB ASP 61 16.369 -2.811 -0.462 522 HB3 ASP 61 1HB ASP 61 17.736 -2.274 -1.436 523 H MET 62 H MET 62 17.665 -1.973 -3.586 524 HA MET 62 HA MET 62 18.845 0.571 -4.107 525 HB2 MET 62 2HB MET 62 18.798 -1.984 -5.737 526 HB3 MET 62 1HB MET 62 19.777 -0.577 -6.155 527 HG2 MET 62 2HG MET 62 20.986 -0.724 -4.055 528 HG3 MET 62 1HG MET 62 19.926 -2.016 -3.492 529 HE1 MET 62 3HE MET 62 22.065 -1.010 -6.635 530 HE2 MET 62 1HE MET 62 23.379 -2.181 -6.459 531 HE3 MET 62 2HE MET 62 23.059 -1.011 -5.182 532 H LEU 63 H LEU 63 16.215 -1.233 -5.677 533 HA LEU 63 HA LEU 63 15.922 0.732 -7.813 534 HB2 LEU 63 2HB LEU 63 15.079 -1.748 -7.748 535 HB3 LEU 63 1HB LEU 63 13.702 -1.091 -6.874 536 HG LEU 63 HG LEU 63 13.587 0.639 -8.869 537 HD11 LEU 63 1HD1 LEU 63 15.152 -1.661 -10.090 538 HD12 LEU 63 2HD1 LEU 63 15.647 0.029 -10.012 539 HD13 LEU 63 3HD1 LEU 63 14.289 -0.444 -11.027 540 HD21 LEU 63 3HD2 LEU 63 11.812 -0.957 -8.448 541 HD22 LEU 63 1HD2 LEU 63 12.778 -2.276 -9.107 542 HD23 LEU 63 2HD2 LEU 63 12.185 -1.000 -10.171 543 H LEU 64 H LEU 64 14.646 0.323 -4.568 544 HA LEU 64 HA LEU 64 12.512 2.226 -4.748 545 HB2 LEU 64 2HB LEU 64 12.485 0.825 -2.838 546 HB3 LEU 64 1HB LEU 64 14.167 1.154 -2.454 547 HG LEU 64 HG LEU 64 12.350 3.542 -2.429 548 HD11 LEU 64 1HD1 LEU 64 12.111 1.285 -0.427 549 HD12 LEU 64 2HD1 LEU 64 10.823 2.051 -1.356 550 HD13 LEU 64 3HD1 LEU 64 11.621 2.940 -0.060 551 HD21 LEU 64 3HD2 LEU 64 14.826 3.492 -1.740 552 HD22 LEU 64 1HD2 LEU 64 14.319 2.568 -0.331 553 HD23 LEU 64 2HD2 LEU 64 13.724 4.208 -0.571 554 H ASP 65 H ASP 65 15.969 2.555 -3.927 555 HA ASP 65 HA ASP 65 16.032 5.261 -3.196 556 HB2 ASP 65 2HB ASP 65 18.005 3.672 -3.306 557 HB3 ASP 65 1HB ASP 65 18.049 3.959 -5.045 558 H GLN 66 H GLN 66 15.716 3.813 -6.390 559 HA GLN 66 HA GLN 66 15.876 6.379 -7.791 560 HB2 GLN 66 2HB GLN 66 16.539 4.180 -8.817 561 HB3 GLN 66 1HB GLN 66 14.833 3.730 -8.823 562 HG2 GLN 66 2HG GLN 66 14.293 5.633 -10.251 563 HG3 GLN 66 1HG GLN 66 15.963 6.196 -10.177 564 HE21 GLN 66 1HE2 GLN 66 14.411 5.306 -12.594 565 HE22 GLN 66 2HE2 GLN 66 15.308 4.029 -13.262 566 H LYS 67 H LYS 67 13.251 4.119 -6.910 567 HA LYS 67 HA LYS 67 11.186 5.752 -8.119 568 HB2 LYS 67 2HB LYS 67 10.892 3.687 -5.917 569 HB3 LYS 67 1HB LYS 67 9.620 4.268 -6.983 570 HG2 LYS 67 2HG LYS 67 12.110 2.911 -8.052 571 HG3 LYS 67 1HG LYS 67 10.681 2.001 -7.577 572 HD2 LYS 67 2HD LYS 67 9.342 3.469 -9.164 573 HD3 LYS 67 1HD LYS 67 10.879 4.104 -9.750 574 HE2 LYS 67 2HE LYS 67 10.123 1.169 -9.733 575 HE3 LYS 67 1HE LYS 67 10.037 2.222 -11.145 576 HZ1 LYS 67 3HZ LYS 67 12.565 2.487 -9.945 577 HZ2 LYS 67 1HZ LYS 67 12.185 1.912 -11.495 578 HZ3 LYS 67 2HZ LYS 67 12.247 0.835 -10.183 579 H TYR 68 H TYR 68 12.040 5.185 -4.691 580 HA TYR 68 HA TYR 68 10.290 7.048 -3.521 581 HB2 TYR 68 2HB TYR 68 11.462 5.691 -1.984 582 HB3 TYR 68 1HB TYR 68 13.011 5.987 -2.760 583 HD1 TYR 68 2HD TYR 68 14.111 8.243 -2.527 584 HD2 TYR 68 1HD TYR 68 10.686 7.102 -0.199 585 HE1 TYR 68 2HE TYR 68 14.595 10.066 -0.925 586 HE2 TYR 68 1HE TYR 68 11.176 8.925 1.405 587 HH TYR 68 HH TYR 68 14.136 10.779 1.241 588 H ALA 69 H ALA 69 13.521 7.561 -4.893 589 HA ALA 69 HA ALA 69 13.859 10.284 -4.253 590 HB1 ALA 69 1HB ALA 69 15.682 9.077 -5.253 591 HB2 ALA 69 2HB ALA 69 15.233 10.337 -6.402 592 HB3 ALA 69 3HB ALA 69 14.716 8.672 -6.672 593 H GLU 70 H GLU 70 11.859 8.739 -6.685 594 HA GLU 70 HA GLU 70 11.149 11.330 -7.935 595 HB2 GLU 70 2HB GLU 70 10.437 8.448 -8.530 596 HB3 GLU 70 1HB GLU 70 9.739 9.812 -9.406 597 HG2 GLU 70 2HG GLU 70 12.011 10.557 -10.043 598 HG3 GLU 70 1HG GLU 70 12.696 9.175 -9.188 599 H TYR 71 H TYR 71 9.407 8.577 -6.419 600 HA TYR 71 HA TYR 71 7.037 10.310 -6.051 601 HB2 TYR 71 2HB TYR 71 7.293 7.411 -5.259 602 HB3 TYR 71 1HB TYR 71 5.830 8.319 -5.638 603 HD1 TYR 71 2HD TYR 71 5.434 9.132 -7.987 604 HD2 TYR 71 1HD TYR 71 8.590 6.394 -7.001 605 HE1 TYR 71 2HE TYR 71 5.637 8.508 -10.377 606 HE2 TYR 71 1HE TYR 71 8.797 5.771 -9.392 607 HH TYR 71 HH TYR 71 6.602 6.187 -11.593 608 H GLY 72 H GLY 72 9.486 8.712 -4.048 609 HA2 GLY 72 2HA GLY 72 10.069 9.366 -1.824 610 HA3 GLY 72 1HA GLY 72 8.653 10.419 -1.787 611 HA PRO 73 HA PRO 73 7.742 6.686 0.848 612 HB2 PRO 73 2HB PRO 73 6.116 8.717 2.320 613 HB3 PRO 73 1HB PRO 73 7.283 7.538 2.953 614 HG2 PRO 73 2HG PRO 73 7.875 10.147 2.815 615 HG3 PRO 73 1HG PRO 73 9.099 8.902 2.509 616 HD2 PRO 73 2HD PRO 73 7.599 10.593 0.516 617 HD3 PRO 73 1HD PRO 73 9.306 10.089 0.501 618 H LYS 74 H LYS 74 6.284 7.811 -1.640 619 HA LYS 74 HA LYS 74 3.446 7.512 -0.931 620 HB2 LYS 74 2HB LYS 74 4.933 7.826 -3.542 621 HB3 LYS 74 1HB LYS 74 3.183 7.631 -3.457 622 HG2 LYS 74 2HG LYS 74 3.040 9.630 -2.004 623 HG3 LYS 74 1HG LYS 74 4.787 9.834 -2.124 624 HD2 LYS 74 2HD LYS 74 4.561 10.038 -4.598 625 HD3 LYS 74 1HD LYS 74 2.809 9.941 -4.419 626 HE2 LYS 74 2HE LYS 74 3.422 12.282 -4.553 627 HE3 LYS 74 1HE LYS 74 2.922 11.939 -2.897 628 HZ1 LYS 74 3HZ LYS 74 5.138 13.205 -3.402 629 HZ2 LYS 74 1HZ LYS 74 5.751 11.636 -3.593 630 HZ3 LYS 74 2HZ LYS 74 5.041 12.095 -2.120 631 H TRP 75 H TRP 75 4.236 5.272 0.021 632 HA TRP 75 HA TRP 75 4.919 3.106 -1.608 633 HB2 TRP 75 2HB TRP 75 2.945 2.750 0.635 634 HB3 TRP 75 1HB TRP 75 4.298 1.720 0.180 635 HD1 TRP 75 HD TRP 75 3.383 3.961 2.788 636 HE1 TRP 75 1HE TRP 75 5.433 4.965 3.979 637 HE3 TRP 75 3HE TRP 75 7.028 2.916 -0.645 638 HZ2 TRP 75 2HZ TRP 75 8.230 5.302 3.540 639 HZ3 TRP 75 3HZ TRP 75 9.365 3.599 -0.234 640 HH2 TRP 75 HH TRP 75 9.976 4.790 1.852 641 H ASN 76 H ASN 76 2.159 4.972 -1.827 642 HA ASN 76 HA ASN 76 0.247 2.945 -2.615 643 HB2 ASN 76 2HB ASN 76 -0.464 5.197 -1.874 644 HB3 ASN 76 1HB ASN 76 0.333 5.908 -3.278 645 HD21 ASN 76 1HD2 ASN 76 -2.326 6.453 -3.191 646 HD22 ASN 76 2HD2 ASN 76 -3.204 5.485 -4.274 647 H LYS 77 H LYS 77 2.633 4.943 -4.275 648 HA LYS 77 HA LYS 77 1.848 3.939 -6.933 649 HB2 LYS 77 2HB LYS 77 4.096 5.713 -5.946 650 HB3 LYS 77 1HB LYS 77 3.912 5.237 -7.636 651 HG2 LYS 77 2HG LYS 77 1.615 6.208 -7.624 652 HG3 LYS 77 1HG LYS 77 1.886 6.761 -5.971 653 HD2 LYS 77 2HD LYS 77 3.690 8.201 -6.668 654 HD3 LYS 77 1HD LYS 77 3.671 7.522 -8.297 655 HE2 LYS 77 2HE LYS 77 2.510 9.672 -8.303 656 HE3 LYS 77 1HE LYS 77 1.347 8.377 -8.589 657 HZ1 LYS 77 3HZ LYS 77 1.859 9.259 -5.835 658 HZ2 LYS 77 1HZ LYS 77 0.452 8.592 -6.509 659 HZ3 LYS 77 2HZ LYS 77 0.863 10.209 -6.831 660 H ILE 78 H ILE 78 4.381 3.457 -4.518 661 HA ILE 78 HA ILE 78 6.016 1.731 -6.137 662 HB ILE 78 HB ILE 78 5.819 1.610 -3.121 663 HG12 ILE 78 2HG1 ILE 78 5.883 3.968 -3.596 664 HG13 ILE 78 1HG1 ILE 78 7.511 3.488 -3.129 665 HG21 ILE 78 1HG2 ILE 78 8.193 1.108 -3.264 666 HG22 ILE 78 2HG2 ILE 78 8.192 1.418 -5.000 667 HG23 ILE 78 3HG2 ILE 78 7.323 0.027 -4.353 668 HD11 ILE 78 3HD1 ILE 78 7.983 3.212 -5.635 669 HD12 ILE 78 1HD1 ILE 78 7.788 4.865 -5.052 670 HD13 ILE 78 2HD1 ILE 78 6.466 4.068 -5.905 671 H SER 79 H SER 79 3.714 1.001 -3.496 672 HA SER 79 HA SER 79 3.749 -1.788 -3.631 673 HB2 SER 79 2HB SER 79 1.556 -1.757 -2.631 674 HB3 SER 79 1HB SER 79 2.444 -0.373 -2.000 675 HG SER 79 HG SER 79 0.858 -0.160 -4.321 676 H LYS 80 H LYS 80 2.422 0.413 -5.980 677 HA LYS 80 HA LYS 80 0.719 -1.581 -7.262 678 HB2 LYS 80 2HB LYS 80 1.692 1.174 -8.056 679 HB3 LYS 80 1HB LYS 80 0.765 0.165 -9.168 680 HG2 LYS 80 2HG LYS 80 -1.090 0.049 -7.604 681 HG3 LYS 80 1HG LYS 80 -0.159 0.907 -6.378 682 HD2 LYS 80 2HD LYS 80 -1.706 2.454 -7.477 683 HD3 LYS 80 1HD LYS 80 -0.046 2.886 -7.871 684 HE2 LYS 80 2HE LYS 80 -1.543 1.033 -9.717 685 HE3 LYS 80 1HE LYS 80 -1.853 2.767 -9.794 686 HZ1 LYS 80 3HZ LYS 80 0.151 1.510 -11.071 687 HZ2 LYS 80 1HZ LYS 80 0.942 2.073 -9.679 688 HZ3 LYS 80 2HZ LYS 80 0.130 3.167 -10.695 689 H PHE 81 H PHE 81 4.062 -0.770 -7.304 690 HA PHE 81 HA PHE 81 4.545 -2.054 -9.923 691 HB2 PHE 81 2HB PHE 81 6.216 -0.614 -7.865 692 HB3 PHE 81 1HB PHE 81 7.021 -1.655 -9.034 693 HD1 PHE 81 2HD PHE 81 6.416 -1.304 -11.542 694 HD2 PHE 81 1HD PHE 81 5.665 1.612 -8.478 695 HE1 PHE 81 2HE PHE 81 6.269 0.473 -13.265 696 HE2 PHE 81 1HE PHE 81 5.518 3.387 -10.202 697 HZ PHE 81 HZ PHE 81 5.820 2.817 -12.596 698 H LEU 82 H LEU 82 4.195 -2.881 -6.667 699 HA LEU 82 HA LEU 82 5.799 -5.394 -6.878 700 HB2 LEU 82 2HB LEU 82 4.480 -3.872 -4.625 701 HB3 LEU 82 1HB LEU 82 5.016 -5.533 -4.401 702 HG LEU 82 HG LEU 82 7.301 -4.975 -4.722 703 HD11 LEU 82 1HD1 LEU 82 8.007 -2.646 -5.432 704 HD12 LEU 82 2HD1 LEU 82 6.328 -2.344 -5.855 705 HD13 LEU 82 3HD1 LEU 82 7.235 -3.595 -6.696 706 HD21 LEU 82 3HD2 LEU 82 6.557 -4.209 -2.556 707 HD22 LEU 82 1HD2 LEU 82 5.942 -2.708 -3.239 708 HD23 LEU 82 2HD2 LEU 82 7.675 -3.010 -3.189 709 H LYS 83 H LYS 83 2.637 -4.615 -5.412 710 HA LYS 83 HA LYS 83 0.537 -5.592 -5.720 711 HB2 LYS 83 2HB LYS 83 1.546 -5.853 -8.215 712 HB3 LYS 83 1HB LYS 83 1.540 -7.553 -7.773 713 HG2 LYS 83 2HG LYS 83 -0.600 -7.325 -8.700 714 HG3 LYS 83 1HG LYS 83 -0.937 -7.066 -6.993 715 HD2 LYS 83 2HD LYS 83 -2.078 -5.343 -8.255 716 HD3 LYS 83 1HD LYS 83 -0.752 -4.585 -7.385 717 HE2 LYS 83 2HE LYS 83 0.432 -4.125 -9.333 718 HE3 LYS 83 1HE LYS 83 -0.184 -5.548 -10.174 719 HZ1 LYS 83 3HZ LYS 83 -2.175 -4.503 -10.654 720 HZ2 LYS 83 1HZ LYS 83 -1.037 -3.264 -10.874 721 HZ3 LYS 83 2HZ LYS 83 -1.972 -3.316 -9.456 722 H ASN 84 H ASN 84 3.375 -6.973 -4.783 723 HA ASN 84 HA ASN 84 2.094 -9.512 -3.856 724 HB2 ASN 84 2HB ASN 84 4.988 -8.704 -4.223 725 HB3 ASN 84 1HB ASN 84 4.505 -10.172 -3.374 726 HD21 ASN 84 1HD2 ASN 84 3.134 -8.663 -6.348 727 HD22 ASN 84 2HD2 ASN 84 3.368 -10.031 -7.326 728 H ARG 85 H ARG 85 3.505 -6.492 -2.837 729 HA ARG 85 HA ARG 85 3.180 -7.291 0.050 730 HB2 ARG 85 2HB ARG 85 5.002 -5.216 -1.178 731 HB3 ARG 85 1HB ARG 85 4.830 -5.538 0.536 732 HG2 ARG 85 2HG ARG 85 6.633 -6.939 0.168 733 HG3 ARG 85 1HG ARG 85 5.380 -8.070 -0.300 734 HD2 ARG 85 2HD ARG 85 5.660 -7.038 -2.685 735 HD3 ARG 85 1HD ARG 85 7.198 -6.440 -2.068 736 HE ARG 85 HE ARG 85 6.925 -9.244 -1.489 737 HH11 ARG 85 1HH2 ARG 85 7.489 -6.952 -4.004 738 HH12 ARG 85 2HH2 ARG 85 8.425 -8.042 -4.969 739 HH21 ARG 85 1HH1 ARG 85 8.144 -10.681 -2.737 740 HH22 ARG 85 2HH1 ARG 85 8.796 -10.153 -4.253 741 H SER 86 H SER 86 3.013 -5.028 1.307 742 HA SER 86 HA SER 86 0.823 -3.442 0.017 743 HB2 SER 86 2HB SER 86 -0.383 -4.746 1.546 744 HB3 SER 86 1HB SER 86 0.956 -4.823 2.685 745 HG SER 86 HG SER 86 0.387 -2.946 3.493 746 H ASP 87 H ASP 87 0.561 -1.358 1.009 747 HA ASP 87 HA ASP 87 2.988 0.078 1.245 748 HB2 ASP 87 2HB ASP 87 1.457 1.901 2.243 749 HB3 ASP 87 1HB ASP 87 1.051 1.325 0.624 750 H ASN 88 H ASN 88 0.931 -1.456 3.611 751 HA ASN 88 HA ASN 88 2.178 -0.303 5.942 752 HB2 ASN 88 2HB ASN 88 -0.058 -1.448 5.942 753 HB3 ASN 88 1HB ASN 88 0.776 -2.984 5.703 754 HD21 ASN 88 1HD2 ASN 88 0.098 -0.438 8.049 755 HD22 ASN 88 2HD2 ASN 88 0.780 -1.234 9.384 756 H ASN 89 H ASN 89 2.960 -2.981 3.800 757 HA ASN 89 HA ASN 89 4.974 -4.097 5.625 758 HB2 ASN 89 2HB ASN 89 3.553 -5.353 3.863 759 HB3 ASN 89 1HB ASN 89 4.650 -4.667 2.673 760 HD21 ASN 89 1HD2 ASN 89 5.865 -6.514 2.098 761 HD22 ASN 89 2HD2 ASN 89 6.764 -7.434 3.206 762 H ILE 90 H ILE 90 4.849 -2.206 2.637 763 HA ILE 90 HA ILE 90 7.661 -1.991 2.217 764 HB ILE 90 HB ILE 90 5.418 -0.103 1.436 765 HG12 ILE 90 2HG1 ILE 90 6.760 -2.284 -0.185 766 HG13 ILE 90 1HG1 ILE 90 5.267 -2.540 0.701 767 HG21 ILE 90 1HG2 ILE 90 7.002 0.558 -0.387 768 HG22 ILE 90 2HG2 ILE 90 8.251 -0.412 0.392 769 HG23 ILE 90 3HG2 ILE 90 7.586 0.997 1.217 770 HD11 ILE 90 3HD1 ILE 90 4.551 -2.013 -1.468 771 HD12 ILE 90 1HD1 ILE 90 5.751 -0.739 -1.664 772 HD13 ILE 90 2HD1 ILE 90 4.363 -0.496 -0.603 773 H ARG 91 H ARG 91 5.380 0.349 3.665 774 HA ARG 91 HA ARG 91 7.306 2.239 4.536 775 HB2 ARG 91 2HB ARG 91 4.921 2.728 4.630 776 HB3 ARG 91 1HB ARG 91 4.652 1.410 5.754 777 HG2 ARG 91 2HG ARG 91 4.712 3.672 6.848 778 HG3 ARG 91 1HG ARG 91 5.907 2.554 7.494 779 HD2 ARG 91 2HD ARG 91 7.693 3.653 6.398 780 HD3 ARG 91 1HD ARG 91 6.620 4.451 5.252 781 HE ARG 91 HE ARG 91 5.951 5.331 7.879 782 HH11 ARG 91 1HH2 ARG 91 8.454 5.469 5.511 783 HH12 ARG 91 2HH2 ARG 91 9.031 7.021 6.019 784 HH21 ARG 91 1HH1 ARG 91 6.689 7.357 8.554 785 HH22 ARG 91 2HH1 ARG 91 8.031 8.090 7.741 786 H ASN 92 H ASN 92 6.251 -0.813 5.866 787 HA ASN 92 HA ASN 92 7.612 -0.479 8.423 788 HB2 ASN 92 2HB ASN 92 5.671 -1.962 8.225 789 HB3 ASN 92 1HB ASN 92 6.536 -2.964 7.058 790 HD21 ASN 92 1HD2 ASN 92 6.648 -1.857 10.471 791 HD22 ASN 92 2HD2 ASN 92 7.540 -3.187 11.035 792 H ARG 93 H ARG 93 8.365 -2.149 5.353 793 HA ARG 93 HA ARG 93 10.864 -3.217 6.435 794 HB2 ARG 93 2HB ARG 93 9.470 -3.245 3.784 795 HB3 ARG 93 1HB ARG 93 11.217 -3.457 3.748 796 HG2 ARG 93 2HG ARG 93 10.255 -5.648 3.874 797 HG3 ARG 93 1HG ARG 93 10.952 -5.311 5.451 798 HD2 ARG 93 2HD ARG 93 8.459 -4.397 5.928 799 HD3 ARG 93 1HD ARG 93 8.073 -5.565 4.670 800 HE ARG 93 HE ARG 93 9.720 -6.962 6.414 801 HH11 ARG 93 1HH2 ARG 93 6.836 -5.087 6.646 802 HH12 ARG 93 2HH2 ARG 93 6.199 -5.991 7.979 803 HH21 ARG 93 1HH1 ARG 93 8.904 -8.152 8.151 804 HH22 ARG 93 2HH1 ARG 93 7.368 -7.726 8.830 805 H TRP 94 H TRP 94 10.000 -0.497 4.305 806 HA TRP 94 HA TRP 94 12.694 0.377 3.867 807 HB2 TRP 94 2HB TRP 94 10.728 1.155 2.532 808 HB3 TRP 94 1HB TRP 94 10.182 2.075 3.935 809 HD1 TRP 94 HD TRP 94 13.293 1.794 1.663 810 HE1 TRP 94 1HE TRP 94 14.399 4.118 1.521 811 HE3 TRP 94 3HE TRP 94 10.303 4.390 4.887 812 HZ2 TRP 94 2HZ TRP 94 14.060 6.734 2.631 813 HZ3 TRP 94 3HZ TRP 94 10.716 6.793 5.326 814 HH2 TRP 94 HH TRP 94 12.589 7.968 4.204 815 H MET 95 H MET 95 10.292 1.165 6.365 816 HA MET 95 HA MET 95 11.938 3.160 7.656 817 HB2 MET 95 2HB MET 95 9.482 3.036 7.973 818 HB3 MET 95 1HB MET 95 9.677 1.490 8.801 819 HG2 MET 95 2HG MET 95 10.939 2.516 10.580 820 HG3 MET 95 1HG MET 95 11.029 4.045 9.705 821 HE1 MET 95 3HE MET 95 10.156 3.712 12.654 822 HE2 MET 95 1HE MET 95 8.740 4.764 12.785 823 HE3 MET 95 2HE MET 95 10.150 5.290 11.870 824 H MET 96 H MET 96 11.641 -0.338 7.923 825 HA MET 96 HA MET 96 13.257 -0.490 10.361 826 HB2 MET 96 2HB MET 96 11.518 -2.198 9.768 827 HB3 MET 96 1HB MET 96 12.520 -2.687 8.401 828 HG2 MET 96 2HG MET 96 14.340 -3.308 9.897 829 HG3 MET 96 1HG MET 96 13.442 -2.703 11.290 830 HE1 MET 96 3HE MET 96 12.959 -5.008 8.140 831 HE2 MET 96 1HE MET 96 12.908 -6.576 8.956 832 HE3 MET 96 2HE MET 96 14.331 -5.549 9.104 833 H ILE 97 H ILE 97 13.732 -0.789 6.878 834 HA ILE 97 HA ILE 97 16.530 -1.622 7.186 835 HB ILE 97 HB ILE 97 14.896 -0.842 4.752 836 HG12 ILE 97 2HG1 ILE 97 15.933 -3.565 5.596 837 HG13 ILE 97 1HG1 ILE 97 14.323 -2.985 6.019 838 HG21 ILE 97 1HG2 ILE 97 16.834 -1.967 3.527 839 HG22 ILE 97 2HG2 ILE 97 17.738 -1.856 5.038 840 HG23 ILE 97 3HG2 ILE 97 17.194 -0.389 4.225 841 HD11 ILE 97 3HD1 ILE 97 14.389 -4.389 3.927 842 HD12 ILE 97 1HD1 ILE 97 15.363 -3.124 3.176 843 HD13 ILE 97 2HD1 ILE 97 13.711 -2.778 3.690 844 H ALA 98 H ALA 98 14.699 1.319 6.552 845 HA ALA 98 HA ALA 98 17.031 2.895 5.823 846 HB1 ALA 98 1HB ALA 98 14.294 3.787 6.785 847 HB2 ALA 98 2HB ALA 98 14.752 3.539 5.099 848 HB3 ALA 98 3HB ALA 98 15.510 4.823 6.040 849 H ARG 99 H ARG 99 15.664 1.765 8.753 850 HA ARG 99 HA ARG 99 16.657 3.890 10.466 851 HB2 ARG 99 2HB ARG 99 14.786 2.414 11.165 852 HB3 ARG 99 1HB ARG 99 15.885 1.033 11.145 853 HG2 ARG 99 2HG ARG 99 17.223 1.980 12.915 854 HG3 ARG 99 1HG ARG 99 16.339 3.504 12.837 855 HD2 ARG 99 2HD ARG 99 14.298 2.410 13.594 856 HD3 ARG 99 1HD ARG 99 15.092 0.836 13.558 857 HE ARG 99 HE ARG 99 16.658 2.404 15.263 858 HH11 ARG 99 1HH2 ARG 99 13.377 1.374 15.004 859 HH12 ARG 99 2HH2 ARG 99 13.104 1.368 16.715 860 HH21 ARG 99 1HH1 ARG 99 16.321 2.401 17.497 861 HH22 ARG 99 2HH1 ARG 99 14.771 1.949 18.125 862 H HIS 100 H HIS 100 17.941 1.127 8.914 863 HA HIS 100 HA HIS 100 20.242 0.810 10.696 864 HB2 HIS 100 2HB HIS 100 19.422 -0.359 8.025 865 HB3 HIS 100 1HB HIS 100 20.994 -0.704 8.746 866 HD1 HIS 100 1HD HIS 100 19.987 -0.835 11.736 867 HD2 HIS 100 2HD HIS 100 18.250 -2.868 8.535 868 HE1 HIS 100 1HE HIS 100 18.737 -2.804 12.729 869 HE2 HIS 100 2HE HIS 100 17.676 -4.047 10.789 870 H ARG 101 H ARG 101 19.468 2.333 7.605 871 HA ARG 101 HA ARG 101 22.257 3.202 7.200 872 HB2 ARG 101 2HB ARG 101 19.775 3.954 5.631 873 HB3 ARG 101 1HB ARG 101 21.452 4.147 5.118 874 HG2 ARG 101 2HG ARG 101 21.734 1.666 5.261 875 HG3 ARG 101 1HG ARG 101 20.015 1.527 5.632 876 HD2 ARG 101 2HD ARG 101 19.522 2.728 3.478 877 HD3 ARG 101 1HD ARG 101 21.241 2.645 3.096 878 HE ARG 101 HE ARG 101 19.354 0.454 2.888 879 HH11 ARG 101 1HH2 ARG 101 22.603 1.363 3.599 880 HH12 ARG 101 2HH2 ARG 101 23.273 -0.166 3.136 881 HH21 ARG 101 1HH1 ARG 101 20.209 -1.547 2.279 882 HH22 ARG 101 2HH1 ARG 101 21.918 -1.813 2.388 883 H ALA 102 H ALA 102 19.306 4.400 8.574 884 HA ALA 102 HA ALA 102 20.034 7.226 8.401 885 HB1 ALA 102 1HB ALA 102 18.094 7.576 9.871 886 HB2 ALA 102 2HB ALA 102 17.979 5.838 10.148 887 HB3 ALA 102 3HB ALA 102 17.671 6.496 8.542 888 H LYS 103 H LYS 103 21.574 4.891 9.972 889 HA LYS 103 HA LYS 103 21.770 6.145 12.637 890 HB2 LYS 103 2HB LYS 103 22.938 3.688 11.322 891 HB3 LYS 103 1HB LYS 103 23.577 4.264 12.860 892 HG2 LYS 103 2HG LYS 103 20.594 3.876 12.550 893 HG3 LYS 103 1HG LYS 103 21.621 2.475 12.834 894 HD2 LYS 103 2HD LYS 103 22.535 3.589 14.870 895 HD3 LYS 103 1HD LYS 103 21.420 4.929 14.610 896 HE2 LYS 103 2HE LYS 103 20.490 3.331 16.234 897 HE3 LYS 103 1HE LYS 103 19.510 3.372 14.769 898 HZ1 LYS 103 3HZ LYS 103 19.996 1.264 14.312 899 HZ2 LYS 103 1HZ LYS 103 20.569 1.146 15.903 900 HZ3 LYS 103 2HZ LYS 103 21.652 1.471 14.634 901 H HIS 104 H HIS 104 23.912 5.489 9.843 902 HA HIS 104 HA HIS 104 26.040 7.137 10.983 903 HB2 HIS 104 2HB HIS 104 27.124 6.770 8.737 904 HB3 HIS 104 1HB HIS 104 26.716 5.288 9.598 905 HD1 HIS 104 1HD HIS 104 25.779 3.617 8.023 906 HD2 HIS 104 2HD HIS 104 24.574 7.483 7.016 907 HE1 HIS 104 1HE HIS 104 24.285 3.398 5.988 908 HE2 HIS 104 2HE HIS 104 23.538 5.743 5.374 909 H GLN 105 H GLN 105 23.154 7.873 9.499 910 HA GLN 105 HA GLN 105 23.758 9.893 7.631 911 HB2 GLN 105 2HB GLN 105 21.462 9.096 8.089 912 HB3 GLN 105 1HB GLN 105 21.509 9.881 9.668 913 HG2 GLN 105 2HG GLN 105 21.687 12.063 8.665 914 HG3 GLN 105 1HG GLN 105 21.931 11.368 7.063 915 HE21 GLN 105 1HE2 GLN 105 19.857 13.072 7.065 916 HE22 GLN 105 2HE2 GLN 105 18.361 12.274 7.142 917 H LYS 106 H LYS 106 24.280 9.843 11.043 918 HA LYS 106 HA LYS 106 24.180 12.587 11.700 919 HB2 LYS 106 2HB LYS 106 26.189 10.527 12.662 920 HB3 LYS 106 1HB LYS 106 25.818 12.054 13.463 921 HG2 LYS 106 2HG LYS 106 23.388 11.258 13.560 922 HG3 LYS 106 1HG LYS 106 23.990 9.671 13.081 923 HD2 LYS 106 2HD LYS 106 24.941 11.220 15.511 924 HD3 LYS 106 1HD LYS 106 23.774 9.901 15.555 925 HE2 LYS 106 2HE LYS 106 25.595 8.495 14.370 926 HE3 LYS 106 1HE LYS 106 26.707 9.780 14.841 927 HZ1 LYS 106 3HZ LYS 106 26.455 9.320 17.050 928 HZ2 LYS 106 1HZ LYS 106 26.291 7.761 16.402 929 HZ3 LYS 106 2HZ LYS 106 24.910 8.639 16.860 930 H SER 107 H SER 107 26.218 10.982 9.481 931 HA SER 107 HA SER 107 28.598 12.540 9.668 932 HB2 SER 107 2HB SER 107 28.344 10.481 8.269 933 HB3 SER 107 1HB SER 107 27.332 11.398 7.157 934 HG SER 107 HG SER 107 29.048 12.601 6.575 Start of MODEL 14 1 H1 LYS 1 1HT LYS 1 -3.660 10.542 2.354 2 H2 LYS 1 2HT LYS 1 -2.330 11.441 1.796 3 H3 LYS 1 3HT LYS 1 -2.115 10.255 2.993 4 HA LYS 1 HA LYS 1 -1.514 9.762 0.517 5 HB2 LYS 1 2HB LYS 1 -2.299 7.334 1.002 6 HB3 LYS 1 1HB LYS 1 -1.174 8.074 2.141 7 HG2 LYS 1 2HG LYS 1 -2.910 8.548 3.712 8 HG3 LYS 1 1HG LYS 1 -4.172 8.200 2.535 9 HD2 LYS 1 2HD LYS 1 -3.854 6.344 4.169 10 HD3 LYS 1 1HD LYS 1 -3.559 5.840 2.507 11 HE2 LYS 1 2HE LYS 1 -1.836 5.118 4.308 12 HE3 LYS 1 1HE LYS 1 -1.212 5.803 2.808 13 HZ1 LYS 1 2HZ LYS 1 -0.546 7.682 3.831 14 HZ2 LYS 1 3HZ LYS 1 -0.493 6.675 5.197 15 HZ3 LYS 1 1HZ LYS 1 -1.831 7.684 4.942 16 H VAL 2 H VAL 2 -4.085 7.595 0.696 17 HA VAL 2 HA VAL 2 -5.209 8.531 -1.790 18 HB VAL 2 HB VAL 2 -6.524 6.596 0.139 19 HG11 VAL 2 1HG1 VAL 2 -7.906 7.111 -1.768 20 HG12 VAL 2 2HG1 VAL 2 -7.195 5.527 -2.061 21 HG13 VAL 2 3HG1 VAL 2 -6.544 6.946 -2.876 22 HG21 VAL 2 3HG2 VAL 2 -4.220 5.887 -0.048 23 HG22 VAL 2 1HG2 VAL 2 -4.233 6.139 -1.794 24 HG23 VAL 2 2HG2 VAL 2 -5.189 4.838 -1.084 25 H LYS 3 H LYS 3 -7.643 8.991 -1.969 26 HA LYS 3 HA LYS 3 -8.318 11.342 -0.577 27 HB2 LYS 3 2HB LYS 3 -10.386 9.387 -1.614 28 HB3 LYS 3 1HB LYS 3 -10.500 11.143 -1.527 29 HG2 LYS 3 2HG LYS 3 -8.689 9.528 -3.346 30 HG3 LYS 3 1HG LYS 3 -10.066 10.516 -3.828 31 HD2 LYS 3 2HD LYS 3 -8.808 12.495 -2.751 32 HD3 LYS 3 1HD LYS 3 -7.397 11.437 -2.740 33 HE2 LYS 3 2HE LYS 3 -7.386 12.800 -4.772 34 HE3 LYS 3 1HE LYS 3 -7.654 11.108 -5.192 35 HZ1 LYS 3 3HZ LYS 3 -9.966 12.849 -4.689 36 HZ2 LYS 3 1HZ LYS 3 -9.847 11.479 -5.681 37 HZ3 LYS 3 2HZ LYS 3 -9.165 12.951 -6.184 38 H PHE 4 H PHE 4 -9.468 8.010 0.091 39 HA PHE 4 HA PHE 4 -10.778 8.893 2.556 40 HB2 PHE 4 2HB PHE 4 -11.078 6.400 2.913 41 HB3 PHE 4 1HB PHE 4 -11.854 7.069 1.492 42 HD1 PHE 4 2HD PHE 4 -10.934 6.681 -0.746 43 HD2 PHE 4 1HD PHE 4 -9.196 4.858 2.733 44 HE1 PHE 4 2HE PHE 4 -9.734 5.070 -2.191 45 HE2 PHE 4 1HE PHE 4 -7.999 3.239 1.282 46 HZ PHE 4 HZ PHE 4 -8.270 3.354 -1.189 47 H THR 5 H THR 5 -10.220 7.946 4.678 48 HA THR 5 HA THR 5 -7.287 8.050 5.086 49 HB THR 5 HB THR 5 -8.544 9.397 6.617 50 HG1 THR 5 1HG THR 5 -7.990 8.352 8.583 51 HG21 THR 5 3HG2 THR 5 -10.728 8.420 6.432 52 HG22 THR 5 1HG2 THR 5 -10.246 8.293 8.122 53 HG23 THR 5 2HG2 THR 5 -10.154 6.882 7.070 54 H GLU 6 H GLU 6 -6.292 6.482 6.505 55 HA GLU 6 HA GLU 6 -6.472 3.836 5.643 56 HB2 GLU 6 2HB GLU 6 -5.661 4.806 8.401 57 HB3 GLU 6 1HB GLU 6 -5.288 3.218 7.732 58 HG2 GLU 6 2HG GLU 6 -4.089 4.335 5.848 59 HG3 GLU 6 1HG GLU 6 -4.379 5.891 6.627 60 H GLU 7 H GLU 7 -8.247 5.378 8.314 61 HA GLU 7 HA GLU 7 -9.425 3.166 9.523 62 HB2 GLU 7 2HB GLU 7 -9.702 5.682 10.055 63 HB3 GLU 7 1HB GLU 7 -11.022 5.657 8.887 64 HG2 GLU 7 2HG GLU 7 -11.999 3.717 10.190 65 HG3 GLU 7 1HG GLU 7 -10.786 4.037 11.430 66 H GLU 8 H GLU 8 -10.430 4.763 6.486 67 HA GLU 8 HA GLU 8 -12.752 3.092 6.147 68 HB2 GLU 8 2HB GLU 8 -11.165 4.425 3.963 69 HB3 GLU 8 1HB GLU 8 -12.852 3.924 3.897 70 HG2 GLU 8 2HG GLU 8 -13.061 5.551 6.025 71 HG3 GLU 8 1HG GLU 8 -11.633 6.293 5.307 72 H ASP 9 H ASP 9 -9.403 2.974 4.976 73 HA ASP 9 HA ASP 9 -9.469 0.752 3.288 74 HB2 ASP 9 2HB ASP 9 -7.439 2.153 4.015 75 HB3 ASP 9 1HB ASP 9 -7.332 1.083 5.411 76 H LEU 10 H LEU 10 -9.886 0.850 6.752 77 HA LEU 10 HA LEU 10 -9.623 -2.038 7.131 78 HB2 LEU 10 2HB LEU 10 -11.159 -0.266 9.040 79 HB3 LEU 10 1HB LEU 10 -10.093 -1.625 9.397 80 HG LEU 10 HG LEU 10 -9.250 1.105 8.413 81 HD11 LEU 10 1HD1 LEU 10 -8.870 -0.314 11.049 82 HD12 LEU 10 2HD1 LEU 10 -9.873 1.107 10.757 83 HD13 LEU 10 3HD1 LEU 10 -8.118 1.221 10.615 84 HD21 LEU 10 3HD2 LEU 10 -6.925 0.168 8.859 85 HD22 LEU 10 1HD2 LEU 10 -7.741 -0.488 7.442 86 HD23 LEU 10 2HD2 LEU 10 -7.680 -1.424 8.935 87 H LYS 11 H LYS 11 -12.216 0.323 6.651 88 HA LYS 11 HA LYS 11 -14.417 -1.479 6.979 89 HB2 LYS 11 2HB LYS 11 -14.175 0.972 5.201 90 HB3 LYS 11 1HB LYS 11 -15.688 0.162 5.610 91 HG2 LYS 11 2HG LYS 11 -15.222 0.582 8.024 92 HG3 LYS 11 1HG LYS 11 -13.778 1.482 7.561 93 HD2 LYS 11 2HD LYS 11 -15.123 3.095 6.326 94 HD3 LYS 11 1HD LYS 11 -16.585 2.159 6.637 95 HE2 LYS 11 2HE LYS 11 -16.469 4.021 8.213 96 HE3 LYS 11 1HE LYS 11 -16.245 2.503 9.083 97 HZ1 LYS 11 3HZ LYS 11 -13.812 2.870 8.854 98 HZ2 LYS 11 1HZ LYS 11 -14.595 4.021 9.823 99 HZ3 LYS 11 2HZ LYS 11 -14.143 4.416 8.234 100 H LEU 12 H LEU 12 -12.134 -0.973 4.379 101 HA LEU 12 HA LEU 12 -13.663 -2.296 2.322 102 HB2 LEU 12 2HB LEU 12 -10.790 -1.504 2.704 103 HB3 LEU 12 1HB LEU 12 -11.161 -2.661 1.432 104 HG LEU 12 HG LEU 12 -12.801 -1.058 0.481 105 HD11 LEU 12 1HD1 LEU 12 -13.378 0.155 2.529 106 HD12 LEU 12 2HD1 LEU 12 -12.763 1.283 1.322 107 HD13 LEU 12 3HD1 LEU 12 -11.730 0.766 2.648 108 HD21 LEU 12 3HD2 LEU 12 -11.005 0.715 -0.149 109 HD22 LEU 12 1HD2 LEU 12 -10.666 -0.970 -0.538 110 HD23 LEU 12 2HD2 LEU 12 -9.916 -0.222 0.873 111 H GLN 13 H GLN 13 -11.110 -3.369 4.593 112 HA GLN 13 HA GLN 13 -10.878 -6.031 3.703 113 HB2 GLN 13 2HB GLN 13 -9.480 -5.077 5.498 114 HB3 GLN 13 1HB GLN 13 -10.879 -5.020 6.567 115 HG2 GLN 13 2HG GLN 13 -11.071 -7.460 6.509 116 HG3 GLN 13 1HG GLN 13 -9.748 -7.559 5.347 117 HE21 GLN 13 1HE2 GLN 13 -10.036 -5.512 8.284 118 HE22 GLN 13 2HE2 GLN 13 -8.652 -6.137 9.043 119 H GLN 14 H GLN 14 -13.337 -4.600 5.837 120 HA GLN 14 HA GLN 14 -14.701 -7.184 6.203 121 HB2 GLN 14 2HB GLN 14 -15.720 -4.414 6.833 122 HB3 GLN 14 1HB GLN 14 -16.325 -5.943 7.469 123 HG2 GLN 14 2HG GLN 14 -14.097 -6.357 8.510 124 HG3 GLN 14 1HG GLN 14 -13.568 -4.771 7.947 125 HE21 GLN 14 1HE2 GLN 14 -14.424 -6.116 10.741 126 HE22 GLN 14 2HE2 GLN 14 -15.326 -4.867 11.454 127 H LEU 15 H LEU 15 -15.623 -4.107 4.592 128 HA LEU 15 HA LEU 15 -18.048 -5.077 3.488 129 HB2 LEU 15 2HB LEU 15 -16.135 -3.009 2.364 130 HB3 LEU 15 1HB LEU 15 -17.798 -3.229 1.835 131 HG LEU 15 HG LEU 15 -17.148 -2.697 4.747 132 HD11 LEU 15 1HD1 LEU 15 -17.611 -0.290 4.281 133 HD12 LEU 15 2HD1 LEU 15 -17.601 -0.651 2.555 134 HD13 LEU 15 3HD1 LEU 15 -16.131 -0.859 3.507 135 HD21 LEU 15 3HD2 LEU 15 -19.424 -3.420 4.364 136 HD22 LEU 15 1HD2 LEU 15 -19.605 -2.320 2.999 137 HD23 LEU 15 2HD2 LEU 15 -19.474 -1.683 4.635 138 H VAL 16 H VAL 16 -14.818 -4.887 2.023 139 HA VAL 16 HA VAL 16 -15.495 -6.174 -0.411 140 HB VAL 16 HB VAL 16 -12.833 -6.314 1.034 141 HG11 VAL 16 1HG1 VAL 16 -13.678 -6.636 -1.850 142 HG12 VAL 16 2HG1 VAL 16 -12.906 -7.839 -0.818 143 HG13 VAL 16 3HG1 VAL 16 -12.003 -6.422 -1.352 144 HG21 VAL 16 3HG2 VAL 16 -12.249 -4.230 0.030 145 HG22 VAL 16 1HG2 VAL 16 -13.867 -3.954 0.667 146 HG23 VAL 16 2HG2 VAL 16 -13.645 -4.265 -1.042 147 H MET 17 H MET 17 -14.668 -7.497 2.795 148 HA MET 17 HA MET 17 -14.305 -10.194 1.902 149 HB2 MET 17 2HB MET 17 -13.610 -9.568 4.138 150 HB3 MET 17 1HB MET 17 -15.245 -9.069 4.560 151 HG2 MET 17 2HG MET 17 -16.049 -11.310 4.488 152 HG3 MET 17 1HG MET 17 -14.575 -11.888 3.713 153 HE1 MET 17 3HE MET 17 -14.872 -13.399 7.363 154 HE2 MET 17 1HE MET 17 -14.390 -13.862 5.725 155 HE3 MET 17 2HE MET 17 -15.975 -13.148 6.013 156 H ARG 18 H ARG 18 -17.137 -8.219 2.586 157 HA ARG 18 HA ARG 18 -19.006 -10.464 2.484 158 HB2 ARG 18 2HB ARG 18 -19.438 -8.272 3.677 159 HB3 ARG 18 1HB ARG 18 -19.607 -7.519 2.091 160 HG2 ARG 18 2HG ARG 18 -21.436 -9.061 1.534 161 HG3 ARG 18 1HG ARG 18 -21.255 -9.859 3.097 162 HD2 ARG 18 2HD ARG 18 -21.751 -7.688 4.222 163 HD3 ARG 18 1HD ARG 18 -22.036 -6.965 2.639 164 HE ARG 18 HE ARG 18 -24.141 -8.024 2.611 165 HH11 ARG 18 1HH2 ARG 18 -21.990 -9.492 4.872 166 HH12 ARG 18 2HH2 ARG 18 -23.190 -10.557 5.524 167 HH21 ARG 18 1HH1 ARG 18 -25.719 -9.406 3.450 168 HH22 ARG 18 2HH1 ARG 18 -25.301 -10.508 4.720 169 H TYR 19 H TYR 19 -17.564 -8.243 0.180 170 HA TYR 19 HA TYR 19 -19.378 -9.187 -1.997 171 HB2 TYR 19 2HB TYR 19 -17.228 -7.042 -1.990 172 HB3 TYR 19 1HB TYR 19 -18.314 -7.407 -3.329 173 HD1 TYR 19 2HD TYR 19 -20.902 -7.499 -2.641 174 HD2 TYR 19 1HD TYR 19 -17.873 -5.293 -0.535 175 HE1 TYR 19 2HE TYR 19 -22.646 -6.056 -1.641 176 HE2 TYR 19 1HE TYR 19 -19.623 -3.854 0.465 177 HH TYR 19 HH TYR 19 -22.792 -4.609 0.569 178 H GLY 20 H GLY 20 -16.449 -10.002 -0.589 179 HA2 GLY 20 2HA GLY 20 -14.965 -11.723 -1.258 180 HA3 GLY 20 1HA GLY 20 -15.742 -11.745 -2.843 181 H ALA 21 H ALA 21 -15.371 -9.674 -4.130 182 HA ALA 21 HA ALA 21 -13.477 -7.732 -3.918 183 HB1 ALA 21 1HB ALA 21 -11.424 -8.974 -5.088 184 HB2 ALA 21 2HB ALA 21 -12.122 -10.392 -4.309 185 HB3 ALA 21 3HB ALA 21 -11.601 -9.016 -3.339 186 H LYS 22 H LYS 22 -15.716 -8.057 -5.448 187 HA LYS 22 HA LYS 22 -14.640 -7.629 -8.164 188 HB2 LYS 22 2HB LYS 22 -16.089 -9.302 -9.217 189 HB3 LYS 22 1HB LYS 22 -14.979 -10.067 -8.079 190 HG2 LYS 22 2HG LYS 22 -16.821 -9.930 -6.343 191 HG3 LYS 22 1HG LYS 22 -17.907 -9.430 -7.640 192 HD2 LYS 22 2HD LYS 22 -17.391 -11.513 -8.870 193 HD3 LYS 22 1HD LYS 22 -16.332 -12.019 -7.553 194 HE2 LYS 22 2HE LYS 22 -18.305 -11.842 -5.998 195 HE3 LYS 22 1HE LYS 22 -19.322 -11.556 -7.409 196 HZ1 LYS 22 3HZ LYS 22 -18.536 -13.679 -8.318 197 HZ2 LYS 22 1HZ LYS 22 -19.354 -13.876 -6.846 198 HZ3 LYS 22 2HZ LYS 22 -17.657 -13.960 -6.892 199 H ASP 23 H ASP 23 -17.006 -6.972 -5.797 200 HA ASP 23 HA ASP 23 -18.811 -5.664 -7.811 201 HB2 ASP 23 2HB ASP 23 -19.470 -6.087 -4.890 202 HB3 ASP 23 1HB ASP 23 -20.570 -5.836 -6.244 203 H TRP 24 H TRP 24 -16.432 -4.405 -7.373 204 HA TRP 24 HA TRP 24 -16.403 -2.564 -5.189 205 HB2 TRP 24 2HB TRP 24 -15.150 -2.290 -7.934 206 HB3 TRP 24 1HB TRP 24 -14.719 -1.345 -6.502 207 HD1 TRP 24 HD TRP 24 -14.249 -4.755 -8.096 208 HE1 TRP 24 1HE TRP 24 -12.594 -6.117 -6.650 209 HE3 TRP 24 3HE TRP 24 -13.937 -1.701 -4.071 210 HZ2 TRP 24 2HZ TRP 24 -11.304 -5.902 -4.089 211 HZ3 TRP 24 3HZ TRP 24 -12.488 -2.253 -2.153 212 HH2 TRP 24 HH TRP 24 -11.179 -4.355 -2.141 213 H ILE 25 H ILE 25 -18.426 -2.696 -7.908 214 HA ILE 25 HA ILE 25 -18.832 0.157 -8.244 215 HB ILE 25 HB ILE 25 -21.018 -0.687 -9.363 216 HG12 ILE 25 2HG1 ILE 25 -19.581 -3.350 -9.137 217 HG13 ILE 25 1HG1 ILE 25 -20.917 -2.892 -8.084 218 HG21 ILE 25 1HG2 ILE 25 -19.742 -1.558 -11.335 219 HG22 ILE 25 2HG2 ILE 25 -18.294 -1.607 -10.330 220 HG23 ILE 25 3HG2 ILE 25 -19.072 -0.063 -10.682 221 HD11 ILE 25 3HD1 ILE 25 -22.355 -2.549 -10.071 222 HD12 ILE 25 1HD1 ILE 25 -21.749 -4.202 -9.986 223 HD13 ILE 25 2HD1 ILE 25 -21.021 -3.052 -11.109 224 H ARG 26 H ARG 26 -20.230 -2.402 -6.271 225 HA ARG 26 HA ARG 26 -22.382 -0.730 -5.259 226 HB2 ARG 26 2HB ARG 26 -21.247 -3.406 -4.420 227 HB3 ARG 26 1HB ARG 26 -22.559 -2.621 -3.539 228 HG2 ARG 26 2HG ARG 26 -23.955 -2.615 -5.536 229 HG3 ARG 26 1HG ARG 26 -22.633 -3.279 -6.498 230 HD2 ARG 26 2HD ARG 26 -22.663 -5.341 -5.251 231 HD3 ARG 26 1HD ARG 26 -23.800 -4.675 -4.079 232 HE ARG 26 HE ARG 26 -25.036 -4.500 -6.615 233 HH11 ARG 26 1HH2 ARG 26 -23.812 -6.856 -4.415 234 HH12 ARG 26 2HH2 ARG 26 -24.936 -8.082 -4.895 235 HH21 ARG 26 1HH1 ARG 26 -26.511 -6.088 -7.254 236 HH22 ARG 26 2HH1 ARG 26 -26.465 -7.647 -6.501 237 H ILE 27 H ILE 27 -19.274 -1.930 -4.023 238 HA ILE 27 HA ILE 27 -19.393 -0.730 -1.484 239 HB ILE 27 HB ILE 27 -16.939 -1.062 -3.229 240 HG12 ILE 27 2HG1 ILE 27 -18.146 -2.928 -1.162 241 HG13 ILE 27 1HG1 ILE 27 -18.321 -3.134 -2.903 242 HG21 ILE 27 1HG2 ILE 27 -15.804 -1.210 -0.979 243 HG22 ILE 27 2HG2 ILE 27 -17.328 -0.723 -0.240 244 HG23 ILE 27 3HG2 ILE 27 -16.484 0.377 -1.328 245 HD11 ILE 27 3HD1 ILE 27 -16.495 -4.532 -2.317 246 HD12 ILE 27 1HD1 ILE 27 -15.806 -3.316 -1.243 247 HD13 ILE 27 2HD1 ILE 27 -15.741 -3.089 -2.990 248 H SER 28 H SER 28 -18.513 0.648 -4.616 249 HA SER 28 HA SER 28 -17.626 3.180 -3.495 250 HB2 SER 28 2HB SER 28 -18.420 2.329 -6.283 251 HB3 SER 28 1HB SER 28 -17.885 3.963 -5.899 252 HG SER 28 HG SER 28 -15.908 3.253 -5.608 253 H GLN 29 H GLN 29 -20.718 1.861 -4.538 254 HA GLN 29 HA GLN 29 -22.123 4.348 -4.781 255 HB2 GLN 29 2HB GLN 29 -23.014 1.535 -4.116 256 HB3 GLN 29 1HB GLN 29 -24.166 2.866 -4.146 257 HG2 GLN 29 2HG GLN 29 -22.307 2.372 -6.485 258 HG3 GLN 29 1HG GLN 29 -23.827 1.493 -6.336 259 HE21 GLN 29 1HE2 GLN 29 -25.679 3.296 -5.535 260 HE22 GLN 29 2HE2 GLN 29 -25.751 4.638 -6.572 261 H LEU 30 H LEU 30 -21.439 2.276 -1.982 262 HA LEU 30 HA LEU 30 -23.005 3.846 -0.124 263 HB2 LEU 30 2HB LEU 30 -20.560 2.236 0.655 264 HB3 LEU 30 1HB LEU 30 -22.041 2.505 1.575 265 HG LEU 30 HG LEU 30 -21.753 0.830 -0.935 266 HD11 LEU 30 1HD1 LEU 30 -20.902 -0.295 1.034 267 HD12 LEU 30 2HD1 LEU 30 -22.474 -0.989 0.637 268 HD13 LEU 30 3HD1 LEU 30 -22.329 0.165 1.964 269 HD21 LEU 30 3HD2 LEU 30 -24.178 1.646 0.690 270 HD22 LEU 30 1HD2 LEU 30 -24.183 0.249 -0.387 271 HD23 LEU 30 2HD2 LEU 30 -23.914 1.864 -1.040 272 H MET 31 H MET 31 -19.651 3.858 -1.202 273 HA MET 31 HA MET 31 -19.265 6.552 0.081 274 HB2 MET 31 2HB MET 31 -17.344 4.214 -0.078 275 HB3 MET 31 1HB MET 31 -16.839 5.856 0.322 276 HG2 MET 31 2HG MET 31 -18.471 5.855 2.211 277 HG3 MET 31 1HG MET 31 -18.850 4.172 1.844 278 HE1 MET 31 3HE MET 31 -17.483 5.948 4.406 279 HE2 MET 31 1HE MET 31 -16.559 4.642 5.159 280 HE3 MET 31 2HE MET 31 -18.205 4.353 4.604 281 H ILE 32 H ILE 32 -20.077 7.079 -2.200 282 HA ILE 32 HA ILE 32 -18.485 6.538 -4.511 283 HB ILE 32 HB ILE 32 -19.609 8.653 -5.399 284 HG12 ILE 32 2HG1 ILE 32 -21.058 8.538 -2.737 285 HG13 ILE 32 1HG1 ILE 32 -19.755 9.679 -3.070 286 HG21 ILE 32 1HG2 ILE 32 -21.853 7.625 -5.401 287 HG22 ILE 32 2HG2 ILE 32 -21.368 6.560 -4.082 288 HG23 ILE 32 3HG2 ILE 32 -20.603 6.408 -5.665 289 HD11 ILE 32 3HD1 ILE 32 -22.286 9.431 -4.715 290 HD12 ILE 32 1HD1 ILE 32 -21.006 10.623 -4.937 291 HD13 ILE 32 2HD1 ILE 32 -22.004 10.661 -3.482 292 H THR 33 H THR 33 -17.834 8.404 -1.771 293 HA THR 33 HA THR 33 -16.440 10.651 -2.640 294 HB THR 33 HB THR 33 -15.510 8.775 -0.448 295 HG1 THR 33 1HG THR 33 -17.760 9.466 -0.390 296 HG21 THR 33 3HG2 THR 33 -13.851 10.450 -0.846 297 HG22 THR 33 1HG2 THR 33 -14.769 10.995 0.557 298 HG23 THR 33 2HG2 THR 33 -15.070 11.713 -1.025 299 H ARG 34 H ARG 34 -15.731 7.410 -3.411 300 HA ARG 34 HA ARG 34 -13.205 8.270 -4.723 301 HB2 ARG 34 2HB ARG 34 -12.006 6.253 -3.894 302 HB3 ARG 34 1HB ARG 34 -12.377 7.395 -2.613 303 HG2 ARG 34 2HG ARG 34 -14.280 5.115 -3.183 304 HG3 ARG 34 1HG ARG 34 -12.823 4.834 -2.241 305 HD2 ARG 34 2HD ARG 34 -13.549 6.726 -0.712 306 HD3 ARG 34 1HD ARG 34 -15.092 6.717 -1.559 307 HE ARG 34 HE ARG 34 -15.638 4.686 -0.487 308 HH11 ARG 34 1HH2 ARG 34 -12.312 5.501 -0.155 309 HH12 ARG 34 2HH2 ARG 34 -11.980 4.249 0.996 310 HH21 ARG 34 1HH1 ARG 34 -15.231 3.047 1.013 311 HH22 ARG 34 2HH1 ARG 34 -13.634 2.860 1.659 312 H ASN 35 H ASN 35 -12.526 6.673 -6.393 313 HA ASN 35 HA ASN 35 -14.910 5.566 -7.672 314 HB2 ASN 35 2HB ASN 35 -12.114 5.350 -8.770 315 HB3 ASN 35 1HB ASN 35 -13.634 5.457 -9.654 316 HD21 ASN 35 1HD2 ASN 35 -11.562 7.286 -10.246 317 HD22 ASN 35 2HD2 ASN 35 -12.014 8.832 -9.709 318 HA PRO 36 HA PRO 36 -14.644 1.263 -6.543 319 HB2 PRO 36 2HB PRO 36 -14.456 0.760 -9.514 320 HB3 PRO 36 1HB PRO 36 -15.481 -0.037 -8.306 321 HG2 PRO 36 2HG PRO 36 -16.488 1.800 -9.934 322 HG3 PRO 36 1HG PRO 36 -16.998 1.703 -8.236 323 HD2 PRO 36 2HD PRO 36 -15.239 3.732 -9.550 324 HD3 PRO 36 1HD PRO 36 -16.296 3.892 -8.130 325 H ARG 37 H ARG 37 -12.516 2.236 -9.219 326 HA ARG 37 HA ARG 37 -10.576 0.187 -8.899 327 HB2 ARG 37 2HB ARG 37 -9.061 1.868 -10.083 328 HB3 ARG 37 1HB ARG 37 -10.554 1.443 -10.916 329 HG2 ARG 37 2HG ARG 37 -11.625 3.484 -10.154 330 HG3 ARG 37 1HG ARG 37 -10.226 3.888 -9.162 331 HD2 ARG 37 2HD ARG 37 -10.096 3.540 -12.165 332 HD3 ARG 37 1HD ARG 37 -10.311 5.101 -11.372 333 HE ARG 37 HE ARG 37 -8.031 3.833 -10.232 334 HH11 ARG 37 1HH2 ARG 37 -9.184 5.197 -13.183 335 HH12 ARG 37 2HH2 ARG 37 -7.615 5.692 -13.721 336 HH21 ARG 37 1HH1 ARG 37 -5.975 4.474 -10.919 337 HH22 ARG 37 2HH1 ARG 37 -5.799 5.283 -12.440 338 H GLN 38 H GLN 38 -10.960 3.314 -7.329 339 HA GLN 38 HA GLN 38 -8.363 3.407 -6.125 340 HB2 GLN 38 2HB GLN 38 -10.981 4.638 -5.251 341 HB3 GLN 38 1HB GLN 38 -9.424 5.005 -4.516 342 HG2 GLN 38 2HG GLN 38 -8.579 5.671 -6.784 343 HG3 GLN 38 1HG GLN 38 -10.215 5.466 -7.398 344 HE21 GLN 38 1HE2 GLN 38 -10.673 7.698 -7.816 345 HE22 GLN 38 2HE2 GLN 38 -10.749 8.866 -6.586 346 H CYS 39 H CYS 39 -11.460 2.046 -4.877 347 HA CYS 39 HA CYS 39 -10.248 1.305 -2.347 348 HB2 CYS 39 2HB CYS 39 -12.680 0.142 -3.707 349 HB3 CYS 39 1HB CYS 39 -12.293 0.039 -1.996 350 HG CYS 39 HG CYS 39 -13.379 2.225 -1.692 351 H ARG 40 H ARG 40 -10.643 -0.147 -5.508 352 HA ARG 40 HA ARG 40 -10.008 -2.835 -4.848 353 HB2 ARG 40 2HB ARG 40 -10.877 -2.270 -7.043 354 HB3 ARG 40 1HB ARG 40 -9.500 -1.222 -7.358 355 HG2 ARG 40 2HG ARG 40 -9.351 -3.461 -8.495 356 HG3 ARG 40 1HG ARG 40 -7.987 -3.113 -7.440 357 HD2 ARG 40 2HD ARG 40 -8.761 -4.604 -5.768 358 HD3 ARG 40 1HD ARG 40 -10.388 -4.654 -6.445 359 HE ARG 40 HE ARG 40 -8.586 -5.656 -8.403 360 HH11 ARG 40 1HH2 ARG 40 -9.868 -6.369 -5.281 361 HH12 ARG 40 2HH2 ARG 40 -9.736 -8.085 -5.473 362 HH21 ARG 40 1HH1 ARG 40 -8.407 -7.892 -8.671 363 HH22 ARG 40 2HH1 ARG 40 -8.909 -8.948 -7.392 364 H GLU 41 H GLU 41 -7.933 -0.108 -5.818 365 HA GLU 41 HA GLU 41 -5.447 -1.407 -5.851 366 HB2 GLU 41 2HB GLU 41 -6.192 1.392 -4.966 367 HB3 GLU 41 1HB GLU 41 -4.519 0.851 -5.117 368 HG2 GLU 41 2HG GLU 41 -6.526 0.645 -7.377 369 HG3 GLU 41 1HG GLU 41 -5.460 2.033 -7.162 370 H ARG 42 H ARG 42 -7.457 -0.515 -3.103 371 HA ARG 42 HA ARG 42 -5.332 -0.841 -1.131 372 HB2 ARG 42 2HB ARG 42 -8.324 -1.089 -0.746 373 HB3 ARG 42 1HB ARG 42 -7.129 -0.831 0.520 374 HG2 ARG 42 2HG ARG 42 -7.774 1.076 -1.750 375 HG3 ARG 42 1HG ARG 42 -8.209 1.289 -0.055 376 HD2 ARG 42 2HD ARG 42 -6.266 2.592 -0.188 377 HD3 ARG 42 1HD ARG 42 -5.591 1.049 0.331 378 HE ARG 42 HE ARG 42 -5.630 1.070 -2.510 379 HH11 ARG 42 1HH2 ARG 42 -4.190 2.677 0.180 380 HH12 ARG 42 2HH2 ARG 42 -2.726 3.060 -0.663 381 HH21 ARG 42 1HH1 ARG 42 -3.725 1.561 -3.625 382 HH22 ARG 42 2HH1 ARG 42 -2.463 2.429 -2.817 383 H TRP 43 H TRP 43 -7.838 -2.981 -2.442 384 HA TRP 43 HA TRP 43 -7.668 -5.209 -0.805 385 HB2 TRP 43 2HB TRP 43 -9.058 -4.975 -2.882 386 HB3 TRP 43 1HB TRP 43 -7.612 -5.297 -3.826 387 HD1 TRP 43 HD TRP 43 -7.359 -7.714 -4.503 388 HE1 TRP 43 1HE TRP 43 -8.114 -9.996 -3.575 389 HE3 TRP 43 3HE TRP 43 -9.726 -6.200 -0.234 390 HZ2 TRP 43 2HZ TRP 43 -9.524 -11.043 -1.320 391 HZ3 TRP 43 3HZ TRP 43 -10.760 -7.861 1.284 392 HH2 TRP 43 HH TRP 43 -10.665 -10.278 0.746 393 H ASN 44 H ASN 44 -5.554 -4.752 -3.663 394 HA ASN 44 HA ASN 44 -3.807 -6.913 -2.786 395 HB2 ASN 44 2HB ASN 44 -2.388 -6.128 -4.723 396 HB3 ASN 44 1HB ASN 44 -4.048 -6.542 -5.149 397 HD21 ASN 44 1HD2 ASN 44 -5.545 -4.758 -5.619 398 HD22 ASN 44 2HD2 ASN 44 -4.963 -3.202 -5.970 399 H ASN 45 H ASN 45 -3.424 -3.356 -2.971 400 HA ASN 45 HA ASN 45 -0.772 -3.501 -1.750 401 HB2 ASN 45 2HB ASN 45 -2.575 -1.103 -2.201 402 HB3 ASN 45 1HB ASN 45 -0.854 -1.056 -1.826 403 HD21 ASN 45 1HD2 ASN 45 -2.705 -0.483 -4.378 404 HD22 ASN 45 2HD2 ASN 45 -1.785 -1.166 -5.630 405 H TYR 46 H TYR 46 -3.444 -4.325 -0.218 406 HA TYR 46 HA TYR 46 -2.450 -3.175 2.320 407 HB2 TYR 46 2HB TYR 46 -4.490 -1.826 1.081 408 HB3 TYR 46 1HB TYR 46 -5.415 -2.942 2.079 409 HD1 TYR 46 2HD TYR 46 -4.087 -3.269 4.531 410 HD2 TYR 46 1HD TYR 46 -4.202 0.281 2.109 411 HE1 TYR 46 2HE TYR 46 -3.641 -1.886 6.536 412 HE2 TYR 46 1HE TYR 46 -3.750 1.660 4.117 413 HH TYR 46 HH TYR 46 -4.235 0.836 7.063 414 H ILE 47 H ILE 47 -5.266 -5.104 1.107 415 HA ILE 47 HA ILE 47 -4.322 -7.307 2.854 416 HB ILE 47 HB ILE 47 -6.236 -7.534 4.178 417 HG12 ILE 47 2HG1 ILE 47 -7.994 -7.351 2.444 418 HG13 ILE 47 1HG1 ILE 47 -8.367 -6.368 3.842 419 HG21 ILE 47 1HG2 ILE 47 -4.935 -5.563 4.834 420 HG22 ILE 47 2HG2 ILE 47 -6.645 -5.339 5.195 421 HG23 ILE 47 3HG2 ILE 47 -5.930 -4.544 3.797 422 HD11 ILE 47 3HD1 ILE 47 -7.647 -4.353 2.730 423 HD12 ILE 47 1HD1 ILE 47 -8.778 -5.191 1.672 424 HD13 ILE 47 2HD1 ILE 47 -7.053 -5.274 1.361 425 H ASN 48 H ASN 48 -4.285 -9.060 1.743 426 HA ASN 48 HA ASN 48 -6.411 -10.259 0.334 427 HB2 ASN 48 2HB ASN 48 -6.359 -9.201 -1.694 428 HB3 ASN 48 1HB ASN 48 -4.923 -8.323 -1.252 429 HD21 ASN 48 1HD2 ASN 48 -2.837 -9.175 -1.921 430 HD22 ASN 48 2HD2 ASN 48 -2.717 -10.440 -3.044 431 HA PRO 49 HA PRO 49 -2.460 -12.824 -0.019 432 HB2 PRO 49 2HB PRO 49 0.008 -11.645 0.306 433 HB3 PRO 49 1HB PRO 49 -0.887 -11.620 -1.223 434 HG2 PRO 49 2HG PRO 49 -0.339 -9.406 0.599 435 HG3 PRO 49 1HG PRO 49 -0.967 -9.357 -1.053 436 HD2 PRO 49 2HD PRO 49 -2.472 -9.200 1.484 437 HD3 PRO 49 1HD PRO 49 -3.018 -8.845 -0.160 438 H ALA 50 H ALA 50 -0.309 -11.034 2.045 439 HA ALA 50 HA ALA 50 -1.376 -11.849 4.586 440 HB1 ALA 50 1HB ALA 50 0.761 -13.598 3.338 441 HB2 ALA 50 2HB ALA 50 -0.822 -14.100 3.930 442 HB3 ALA 50 3HB ALA 50 0.420 -13.578 5.068 443 H LEU 51 H LEU 51 -0.562 -9.434 4.145 444 HA LEU 51 HA LEU 51 2.138 -8.687 4.155 445 HB2 LEU 51 2HB LEU 51 -0.118 -7.457 5.775 446 HB3 LEU 51 1HB LEU 51 1.448 -6.702 5.529 447 HG LEU 51 HG LEU 51 -0.130 -5.733 3.986 448 HD11 LEU 51 1HD1 LEU 51 1.050 -5.945 1.975 449 HD12 LEU 51 2HD1 LEU 51 1.455 -7.624 2.249 450 HD13 LEU 51 3HD1 LEU 51 2.246 -6.359 3.189 451 HD21 LEU 51 3HD2 LEU 51 -1.522 -6.906 2.514 452 HD22 LEU 51 1HD2 LEU 51 -1.633 -7.835 4.006 453 HD23 LEU 51 2HD2 LEU 51 -0.613 -8.400 2.686 454 H ARG 52 H ARG 52 0.521 -10.551 6.484 455 HA ARG 52 HA ARG 52 1.705 -9.899 8.925 456 HB2 ARG 52 2HB ARG 52 1.484 -12.755 7.942 457 HB3 ARG 52 1HB ARG 52 1.355 -12.167 9.599 458 HG2 ARG 52 2HG ARG 52 -0.607 -11.681 7.336 459 HG3 ARG 52 1HG ARG 52 -0.879 -12.644 8.787 460 HD2 ARG 52 2HD ARG 52 -0.394 -10.470 10.101 461 HD3 ARG 52 1HD ARG 52 -0.615 -9.644 8.557 462 HE ARG 52 HE ARG 52 -2.856 -11.295 8.839 463 HH11 ARG 52 1HH2 ARG 52 -1.284 -8.760 10.570 464 HH12 ARG 52 2HH2 ARG 52 -2.747 -8.150 11.268 465 HH21 ARG 52 1HH1 ARG 52 -4.774 -10.512 9.739 466 HH22 ARG 52 2HH1 ARG 52 -4.723 -9.142 10.797 467 H THR 53 H THR 53 3.192 -11.465 6.130 468 HA THR 53 HA THR 53 5.842 -10.813 7.148 469 HB THR 53 HB THR 53 5.205 -13.758 6.842 470 HG1 THR 53 1HG THR 53 5.443 -12.175 9.182 471 HG21 THR 53 3HG2 THR 53 7.384 -14.053 7.892 472 HG22 THR 53 1HG2 THR 53 7.554 -12.309 8.094 473 HG23 THR 53 2HG2 THR 53 7.558 -13.013 6.477 474 H ASP 54 H ASP 54 5.312 -9.770 4.902 475 HA ASP 54 HA ASP 54 6.371 -11.597 2.756 476 HB2 ASP 54 2HB ASP 54 3.873 -11.063 2.554 477 HB3 ASP 54 1HB ASP 54 4.353 -9.388 2.275 478 HA PRO 55 HA PRO 55 8.732 -7.546 3.296 479 HB2 PRO 55 2HB PRO 55 11.127 -8.552 4.101 480 HB3 PRO 55 1HB PRO 55 9.797 -8.267 5.247 481 HG2 PRO 55 2HG PRO 55 10.589 -10.821 3.890 482 HG3 PRO 55 1HG PRO 55 10.255 -10.529 5.610 483 HD2 PRO 55 2HD PRO 55 8.371 -11.587 3.972 484 HD3 PRO 55 1HD PRO 55 7.932 -10.469 5.286 485 H TRP 56 H TRP 56 9.843 -6.723 1.585 486 HA TRP 56 HA TRP 56 10.469 -8.464 -0.689 487 HB2 TRP 56 2HB TRP 56 11.336 -6.091 -1.577 488 HB3 TRP 56 1HB TRP 56 9.618 -6.467 -1.503 489 HD1 TRP 56 HD TRP 56 8.182 -5.342 0.410 490 HE1 TRP 56 1HE TRP 56 8.564 -3.252 1.867 491 HE3 TRP 56 3HE TRP 56 13.175 -4.700 -0.350 492 HZ2 TRP 56 2HZ TRP 56 10.742 -1.509 2.579 493 HZ3 TRP 56 3HZ TRP 56 14.375 -2.825 0.714 494 HH2 TRP 56 HH TRP 56 13.175 -1.233 2.180 495 H SER 57 H SER 57 12.683 -7.601 -1.849 496 HA SER 57 HA SER 57 14.887 -7.986 0.162 497 HB2 SER 57 2HB SER 57 15.398 -8.958 -2.596 498 HB3 SER 57 1HB SER 57 15.666 -9.775 -1.055 499 HG SER 57 HG SER 57 13.937 -10.844 -1.530 500 HA PRO 58 HA PRO 58 17.320 -4.647 -1.406 501 HB2 PRO 58 2HB PRO 58 18.993 -6.499 -3.096 502 HB3 PRO 58 1HB PRO 58 19.518 -5.211 -1.986 503 HG2 PRO 58 2HG PRO 58 19.667 -7.714 -1.203 504 HG3 PRO 58 1HG PRO 58 19.033 -6.487 -0.085 505 HD2 PRO 58 2HD PRO 58 17.520 -8.535 -1.685 506 HD3 PRO 58 1HD PRO 58 17.229 -7.983 -0.019 507 H GLU 59 H GLU 59 15.874 -6.735 -3.728 508 HA GLU 59 HA GLU 59 16.408 -5.295 -6.128 509 HB2 GLU 59 2HB GLU 59 14.000 -6.979 -5.358 510 HB3 GLU 59 1HB GLU 59 14.376 -6.440 -6.995 511 HG2 GLU 59 2HG GLU 59 16.270 -8.092 -5.307 512 HG3 GLU 59 1HG GLU 59 15.147 -8.788 -6.475 513 H GLU 60 H GLU 60 13.732 -5.122 -3.754 514 HA GLU 60 HA GLU 60 12.499 -2.878 -5.123 515 HB2 GLU 60 2HB GLU 60 12.163 -4.001 -2.334 516 HB3 GLU 60 1HB GLU 60 11.235 -2.632 -2.936 517 HG2 GLU 60 2HG GLU 60 11.344 -5.313 -4.341 518 HG3 GLU 60 1HG GLU 60 10.088 -4.875 -3.185 519 H ASP 61 H ASP 61 14.960 -3.306 -2.649 520 HA ASP 61 HA ASP 61 15.013 -0.588 -1.709 521 HB2 ASP 61 2HB ASP 61 16.208 -2.679 -0.714 522 HB3 ASP 61 1HB ASP 61 17.471 -2.353 -1.894 523 H MET 62 H MET 62 17.166 -2.269 -4.038 524 HA MET 62 HA MET 62 18.507 0.038 -4.973 525 HB2 MET 62 2HB MET 62 17.755 -2.511 -6.442 526 HB3 MET 62 1HB MET 62 18.860 -1.294 -7.085 527 HG2 MET 62 2HG MET 62 20.346 -1.594 -5.150 528 HG3 MET 62 1HG MET 62 19.233 -2.780 -4.468 529 HE1 MET 62 3HE MET 62 22.464 -2.684 -5.617 530 HE2 MET 62 1HE MET 62 22.640 -4.415 -5.934 531 HE3 MET 62 2HE MET 62 21.849 -3.862 -4.460 532 H LEU 63 H LEU 63 15.359 -1.321 -5.754 533 HA LEU 63 HA LEU 63 14.883 0.625 -7.919 534 HB2 LEU 63 2HB LEU 63 13.859 -1.760 -7.699 535 HB3 LEU 63 1HB LEU 63 12.763 -1.028 -6.534 536 HG LEU 63 HG LEU 63 12.351 0.764 -8.434 537 HD11 LEU 63 1HD1 LEU 63 13.422 -1.610 -9.997 538 HD12 LEU 63 2HD1 LEU 63 14.055 0.035 -10.010 539 HD13 LEU 63 3HD1 LEU 63 12.474 -0.305 -10.706 540 HD21 LEU 63 3HD2 LEU 63 10.565 -0.709 -9.403 541 HD22 LEU 63 1HD2 LEU 63 10.598 -0.721 -7.640 542 HD23 LEU 63 2HD2 LEU 63 11.280 -2.073 -8.545 543 H LEU 64 H LEU 64 14.527 0.488 -4.480 544 HA LEU 64 HA LEU 64 12.402 2.416 -4.209 545 HB2 LEU 64 2HB LEU 64 13.156 0.889 -2.373 546 HB3 LEU 64 1HB LEU 64 14.651 1.804 -2.255 547 HG LEU 64 HG LEU 64 12.128 3.424 -2.092 548 HD11 LEU 64 1HD1 LEU 64 11.880 2.866 0.349 549 HD12 LEU 64 2HD1 LEU 64 12.965 1.500 0.093 550 HD13 LEU 64 3HD1 LEU 64 11.410 1.558 -0.738 551 HD21 LEU 64 3HD2 LEU 64 14.329 4.486 -1.777 552 HD22 LEU 64 1HD2 LEU 64 14.704 3.360 -0.476 553 HD23 LEU 64 2HD2 LEU 64 13.415 4.544 -0.275 554 H ASP 65 H ASP 65 15.963 2.762 -3.902 555 HA ASP 65 HA ASP 65 16.088 5.533 -3.535 556 HB2 ASP 65 2HB ASP 65 17.886 3.718 -5.162 557 HB3 ASP 65 1HB ASP 65 18.280 5.399 -4.800 558 H GLN 66 H GLN 66 15.428 3.729 -6.484 559 HA GLN 66 HA GLN 66 15.557 6.090 -8.202 560 HB2 GLN 66 2HB GLN 66 16.018 3.761 -9.015 561 HB3 GLN 66 1HB GLN 66 14.309 3.392 -8.781 562 HG2 GLN 66 2HG GLN 66 13.668 5.111 -10.380 563 HG3 GLN 66 1HG GLN 66 15.346 5.631 -10.543 564 HE21 GLN 66 1HE2 GLN 66 16.893 3.949 -11.458 565 HE22 GLN 66 2HE2 GLN 66 16.286 2.808 -12.556 566 H LYS 67 H LYS 67 12.910 4.063 -6.907 567 HA LYS 67 HA LYS 67 10.859 5.780 -8.044 568 HB2 LYS 67 2HB LYS 67 10.654 3.740 -5.808 569 HB3 LYS 67 1HB LYS 67 9.300 4.439 -6.688 570 HG2 LYS 67 2HG LYS 67 11.514 2.969 -8.141 571 HG3 LYS 67 1HG LYS 67 10.156 2.099 -7.437 572 HD2 LYS 67 2HD LYS 67 8.615 3.623 -8.764 573 HD3 LYS 67 1HD LYS 67 10.049 4.225 -9.595 574 HE2 LYS 67 2HE LYS 67 9.192 1.321 -9.486 575 HE3 LYS 67 1HE LYS 67 8.958 2.399 -10.863 576 HZ1 LYS 67 3HZ LYS 67 10.988 1.865 -11.523 577 HZ2 LYS 67 1HZ LYS 67 11.260 0.942 -10.127 578 HZ3 LYS 67 2HZ LYS 67 11.622 2.602 -10.130 579 H TYR 68 H TYR 68 11.949 5.244 -4.680 580 HA TYR 68 HA TYR 68 10.401 7.191 -3.395 581 HB2 TYR 68 2HB TYR 68 11.781 5.761 -2.052 582 HB3 TYR 68 1HB TYR 68 13.243 6.279 -2.883 583 HD1 TYR 68 2HD TYR 68 14.111 8.595 -2.578 584 HD2 TYR 68 1HD TYR 68 10.874 7.042 -0.221 585 HE1 TYR 68 2HE TYR 68 14.442 10.414 -0.935 586 HE2 TYR 68 1HE TYR 68 11.203 8.863 1.426 587 HH TYR 68 HH TYR 68 12.173 10.981 1.658 588 H ALA 69 H ALA 69 13.584 7.626 -4.921 589 HA ALA 69 HA ALA 69 13.995 10.348 -4.475 590 HB1 ALA 69 1HB ALA 69 14.601 8.619 -6.887 591 HB2 ALA 69 2HB ALA 69 15.699 9.082 -5.588 592 HB3 ALA 69 3HB ALA 69 15.160 10.287 -6.756 593 H GLU 70 H GLU 70 11.761 8.777 -6.673 594 HA GLU 70 HA GLU 70 10.966 11.346 -7.924 595 HB2 GLU 70 2HB GLU 70 10.251 8.442 -8.390 596 HB3 GLU 70 1HB GLU 70 9.402 9.759 -9.200 597 HG2 GLU 70 2HG GLU 70 11.520 10.563 -10.153 598 HG3 GLU 70 1HG GLU 70 12.396 9.285 -9.310 599 H TYR 71 H TYR 71 9.293 8.616 -6.305 600 HA TYR 71 HA TYR 71 6.979 10.331 -5.730 601 HB2 TYR 71 2HB TYR 71 7.481 7.465 -4.912 602 HB3 TYR 71 1HB TYR 71 5.935 8.311 -4.918 603 HD1 TYR 71 2HD TYR 71 4.854 8.976 -7.043 604 HD2 TYR 71 1HD TYR 71 8.449 6.630 -6.972 605 HE1 TYR 71 2HE TYR 71 4.498 8.356 -9.418 606 HE2 TYR 71 1HE TYR 71 8.095 6.010 -9.345 607 HH TYR 71 HH TYR 71 5.816 7.590 -11.333 608 H GLY 72 H GLY 72 9.531 8.712 -3.871 609 HA2 GLY 72 2HA GLY 72 10.440 9.620 -1.822 610 HA3 GLY 72 1HA GLY 72 8.977 10.578 -1.622 611 HA PRO 73 HA PRO 73 8.390 6.854 1.020 612 HB2 PRO 73 2HB PRO 73 7.220 8.036 3.169 613 HB3 PRO 73 1HB PRO 73 8.976 8.098 2.905 614 HG2 PRO 73 2HG PRO 73 6.910 10.191 2.366 615 HG3 PRO 73 1HG PRO 73 8.548 10.371 3.022 616 HD2 PRO 73 2HD PRO 73 7.868 10.850 0.365 617 HD3 PRO 73 1HD PRO 73 9.513 10.456 0.910 618 H LYS 74 H LYS 74 6.603 8.010 -1.134 619 HA LYS 74 HA LYS 74 3.882 7.740 -0.017 620 HB2 LYS 74 2HB LYS 74 5.006 8.183 -2.786 621 HB3 LYS 74 1HB LYS 74 3.286 7.924 -2.509 622 HG2 LYS 74 2HG LYS 74 3.146 9.882 -1.104 623 HG3 LYS 74 1HG LYS 74 4.899 10.077 -1.114 624 HD2 LYS 74 2HD LYS 74 4.824 10.451 -3.568 625 HD3 LYS 74 1HD LYS 74 3.066 10.320 -3.518 626 HE2 LYS 74 2HE LYS 74 3.699 12.678 -3.471 627 HE3 LYS 74 1HE LYS 74 3.005 12.229 -1.915 628 HZ1 LYS 74 3HZ LYS 74 5.003 12.364 -0.874 629 HZ2 LYS 74 1HZ LYS 74 5.272 13.518 -2.088 630 HZ3 LYS 74 2HZ LYS 74 5.896 11.947 -2.258 631 H TRP 75 H TRP 75 4.569 5.506 0.773 632 HA TRP 75 HA TRP 75 5.118 3.365 -0.963 633 HB2 TRP 75 2HB TRP 75 3.424 3.003 1.499 634 HB3 TRP 75 1HB TRP 75 4.691 1.954 0.864 635 HD1 TRP 75 HD TRP 75 4.159 4.247 3.561 636 HE1 TRP 75 1HE TRP 75 6.368 5.203 4.478 637 HE3 TRP 75 3HE TRP 75 7.323 3.060 -0.282 638 HZ2 TRP 75 2HZ TRP 75 9.098 5.459 3.686 639 HZ3 TRP 75 3HZ TRP 75 9.713 3.682 -0.173 640 HH2 TRP 75 HH TRP 75 10.606 4.880 1.803 641 H ASN 76 H ASN 76 2.441 5.281 -0.948 642 HA ASN 76 HA ASN 76 0.390 3.309 -1.516 643 HB2 ASN 76 2HB ASN 76 0.603 6.299 -1.964 644 HB3 ASN 76 1HB ASN 76 -0.816 5.370 -2.449 645 HD21 ASN 76 1HD2 ASN 76 -2.315 4.781 -0.814 646 HD22 ASN 76 2HD2 ASN 76 -2.096 5.136 0.831 647 H LYS 77 H LYS 77 2.698 5.218 -3.372 648 HA LYS 77 HA LYS 77 1.660 4.250 -5.961 649 HB2 LYS 77 2HB LYS 77 4.230 5.753 -5.385 650 HB3 LYS 77 1HB LYS 77 3.399 5.612 -6.933 651 HG2 LYS 77 2HG LYS 77 2.255 6.974 -4.473 652 HG3 LYS 77 1HG LYS 77 2.999 7.812 -5.832 653 HD2 LYS 77 2HD LYS 77 1.258 6.570 -7.303 654 HD3 LYS 77 1HD LYS 77 0.421 6.229 -5.787 655 HE2 LYS 77 2HE LYS 77 0.405 8.681 -5.296 656 HE3 LYS 77 1HE LYS 77 1.109 8.968 -6.888 657 HZ1 LYS 77 3HZ LYS 77 -1.545 8.781 -6.333 658 HZ2 LYS 77 1HZ LYS 77 -1.184 7.253 -6.975 659 HZ3 LYS 77 2HZ LYS 77 -0.843 8.654 -7.874 660 H ILE 78 H ILE 78 4.385 3.704 -3.777 661 HA ILE 78 HA ILE 78 5.828 1.939 -5.518 662 HB ILE 78 HB ILE 78 5.859 1.807 -2.497 663 HG12 ILE 78 2HG1 ILE 78 5.982 4.161 -2.994 664 HG13 ILE 78 1HG1 ILE 78 7.620 3.617 -2.651 665 HG21 ILE 78 1HG2 ILE 78 7.189 0.172 -3.885 666 HG22 ILE 78 2HG2 ILE 78 8.165 1.167 -2.804 667 HG23 ILE 78 3HG2 ILE 78 8.094 1.543 -4.525 668 HD11 ILE 78 3HD1 ILE 78 6.378 4.244 -5.331 669 HD12 ILE 78 1HD1 ILE 78 7.865 3.306 -5.193 670 HD13 ILE 78 2HD1 ILE 78 7.809 4.965 -4.598 671 H SER 79 H SER 79 3.668 1.253 -2.744 672 HA SER 79 HA SER 79 3.636 -1.535 -2.877 673 HB2 SER 79 2HB SER 79 1.483 -1.460 -1.796 674 HB3 SER 79 1HB SER 79 2.420 -0.094 -1.201 675 HG SER 79 HG SER 79 0.995 0.407 -3.498 676 H LYS 80 H LYS 80 2.255 0.699 -5.163 677 HA LYS 80 HA LYS 80 0.480 -1.266 -6.398 678 HB2 LYS 80 2HB LYS 80 1.449 1.474 -7.244 679 HB3 LYS 80 1HB LYS 80 0.385 0.491 -8.247 680 HG2 LYS 80 2HG LYS 80 -1.290 0.424 -6.468 681 HG3 LYS 80 1HG LYS 80 -0.218 1.324 -5.395 682 HD2 LYS 80 2HD LYS 80 -0.269 3.248 -6.915 683 HD3 LYS 80 1HD LYS 80 -1.287 2.351 -8.041 684 HE2 LYS 80 2HE LYS 80 -2.579 3.913 -6.561 685 HE3 LYS 80 1HE LYS 80 -3.081 2.229 -6.413 686 HZ1 LYS 80 3HZ LYS 80 -1.811 2.001 -4.426 687 HZ2 LYS 80 1HZ LYS 80 -2.778 3.384 -4.260 688 HZ3 LYS 80 2HZ LYS 80 -1.123 3.543 -4.611 689 H PHE 81 H PHE 81 3.827 -0.495 -6.563 690 HA PHE 81 HA PHE 81 4.167 -1.674 -9.253 691 HB2 PHE 81 2HB PHE 81 5.931 -0.303 -7.233 692 HB3 PHE 81 1HB PHE 81 6.697 -1.344 -8.430 693 HD1 PHE 81 2HD PHE 81 6.149 -0.944 -10.910 694 HD2 PHE 81 1HD PHE 81 5.278 1.911 -7.822 695 HE1 PHE 81 2HE PHE 81 5.984 0.851 -12.613 696 HE2 PHE 81 1HE PHE 81 5.113 3.704 -9.525 697 HZ PHE 81 HZ PHE 81 5.466 3.174 -11.921 698 H LEU 82 H LEU 82 3.971 -2.653 -6.012 699 HA LEU 82 HA LEU 82 5.583 -5.135 -6.431 700 HB2 LEU 82 2HB LEU 82 4.319 -3.782 -4.045 701 HB3 LEU 82 1HB LEU 82 4.892 -5.443 -3.944 702 HG LEU 82 HG LEU 82 7.154 -4.820 -4.355 703 HD11 LEU 82 1HD1 LEU 82 7.761 -2.407 -4.894 704 HD12 LEU 82 2HD1 LEU 82 6.057 -2.140 -5.222 705 HD13 LEU 82 3HD1 LEU 82 6.970 -3.287 -6.195 706 HD21 LEU 82 3HD2 LEU 82 5.796 -2.769 -2.584 707 HD22 LEU 82 1HD2 LEU 82 7.546 -2.926 -2.696 708 HD23 LEU 82 2HD2 LEU 82 6.582 -4.268 -2.099 709 H LYS 83 H LYS 83 2.319 -4.302 -5.202 710 HA LYS 83 HA LYS 83 0.275 -5.405 -5.403 711 HB2 LYS 83 2HB LYS 83 1.536 -7.094 -7.579 712 HB3 LYS 83 1HB LYS 83 -0.162 -6.760 -7.333 713 HG2 LYS 83 2HG LYS 83 1.948 -4.719 -8.108 714 HG3 LYS 83 1HG LYS 83 0.759 -5.416 -9.198 715 HD2 LYS 83 2HD LYS 83 0.224 -3.586 -6.836 716 HD3 LYS 83 1HD LYS 83 -0.024 -3.232 -8.538 717 HE2 LYS 83 2HE LYS 83 -1.636 -5.046 -6.752 718 HE3 LYS 83 1HE LYS 83 -2.194 -3.753 -7.810 719 HZ1 LYS 83 3HZ LYS 83 -2.536 -6.136 -8.581 720 HZ2 LYS 83 1HZ LYS 83 -0.870 -6.162 -8.894 721 HZ3 LYS 83 2HZ LYS 83 -1.865 -5.045 -9.697 722 H ASN 84 H ASN 84 2.970 -6.538 -4.203 723 HA ASN 84 HA ASN 84 1.791 -9.177 -3.420 724 HB2 ASN 84 2HB ASN 84 4.679 -8.399 -3.880 725 HB3 ASN 84 1HB ASN 84 4.190 -9.887 -3.066 726 HD21 ASN 84 1HD2 ASN 84 2.919 -8.197 -5.995 727 HD22 ASN 84 2HD2 ASN 84 3.026 -9.559 -7.002 728 H ARG 85 H ARG 85 3.062 -6.133 -2.461 729 HA ARG 85 HA ARG 85 2.807 -6.913 0.440 730 HB2 ARG 85 2HB ARG 85 4.828 -5.043 -0.821 731 HB3 ARG 85 1HB ARG 85 4.559 -5.194 0.905 732 HG2 ARG 85 2HG ARG 85 6.327 -6.685 0.663 733 HG3 ARG 85 1HG ARG 85 4.984 -7.784 0.430 734 HD2 ARG 85 2HD ARG 85 5.337 -6.935 -2.148 735 HD3 ARG 85 1HD ARG 85 6.990 -6.820 -1.549 736 HE ARG 85 HE ARG 85 5.485 -9.280 -1.987 737 HH11 ARG 85 1HH2 ARG 85 7.992 -7.699 -0.235 738 HH12 ARG 85 2HH2 ARG 85 8.860 -9.161 0.095 739 HH21 ARG 85 1HH1 ARG 85 6.598 -11.196 -1.559 740 HH22 ARG 85 2HH1 ARG 85 8.071 -11.140 -0.649 741 H SER 86 H SER 86 2.994 -4.473 1.539 742 HA SER 86 HA SER 86 0.987 -2.731 0.189 743 HB2 SER 86 2HB SER 86 -0.345 -4.077 1.701 744 HB3 SER 86 1HB SER 86 0.822 -3.844 3.001 745 HG SER 86 HG SER 86 -0.356 -1.626 1.747 746 H ASP 87 H ASP 87 0.706 -0.890 1.961 747 HA ASP 87 HA ASP 87 3.235 0.505 2.009 748 HB2 ASP 87 2HB ASP 87 1.899 2.304 3.160 749 HB3 ASP 87 1HB ASP 87 1.241 1.800 1.602 750 H ASN 88 H ASN 88 1.183 -1.104 4.354 751 HA ASN 88 HA ASN 88 2.562 -0.249 6.712 752 HB2 ASN 88 2HB ASN 88 0.953 -2.750 6.125 753 HB3 ASN 88 1HB ASN 88 1.550 -2.327 7.729 754 HD21 ASN 88 1HD2 ASN 88 -0.388 -0.889 5.045 755 HD22 ASN 88 2HD2 ASN 88 -1.417 -0.007 6.066 756 H ASN 89 H ASN 89 3.186 -2.840 4.381 757 HA ASN 89 HA ASN 89 5.288 -4.047 6.039 758 HB2 ASN 89 2HB ASN 89 3.922 -5.376 4.477 759 HB3 ASN 89 1HB ASN 89 4.545 -4.427 3.130 760 HD21 ASN 89 1HD2 ASN 89 5.067 -7.114 2.951 761 HD22 ASN 89 2HD2 ASN 89 6.688 -7.449 3.326 762 H ILE 90 H ILE 90 5.027 -1.919 3.247 763 HA ILE 90 HA ILE 90 7.870 -1.790 2.731 764 HB ILE 90 HB ILE 90 5.615 0.074 1.952 765 HG12 ILE 90 2HG1 ILE 90 6.907 -2.017 0.192 766 HG13 ILE 90 1HG1 ILE 90 5.588 -2.462 1.248 767 HG21 ILE 90 1HG2 ILE 90 8.439 -0.226 0.891 768 HG22 ILE 90 2HG2 ILE 90 7.755 1.189 1.691 769 HG23 ILE 90 3HG2 ILE 90 7.180 0.715 0.093 770 HD11 ILE 90 3HD1 ILE 90 4.325 -0.465 0.149 771 HD12 ILE 90 1HD1 ILE 90 4.523 -1.950 -0.770 772 HD13 ILE 90 2HD1 ILE 90 5.568 -0.570 -1.094 773 H ARG 91 H ARG 91 5.536 0.481 4.162 774 HA ARG 91 HA ARG 91 7.382 2.469 4.991 775 HB2 ARG 91 2HB ARG 91 4.833 2.574 5.062 776 HB3 ARG 91 1HB ARG 91 4.911 1.611 6.527 777 HG2 ARG 91 2HG ARG 91 6.518 3.400 7.437 778 HG3 ARG 91 1HG ARG 91 6.013 4.392 6.070 779 HD2 ARG 91 2HD ARG 91 3.619 4.013 6.815 780 HD3 ARG 91 1HD ARG 91 4.272 3.286 8.283 781 HE ARG 91 HE ARG 91 4.163 6.122 7.709 782 HH11 ARG 91 1HH2 ARG 91 5.974 3.593 9.199 783 HH12 ARG 91 2HH2 ARG 91 6.713 4.633 10.371 784 HH21 ARG 91 1HH1 ARG 91 5.118 7.493 9.230 785 HH22 ARG 91 2HH1 ARG 91 6.227 6.840 10.389 786 H ASN 92 H ASN 92 6.449 -0.595 6.378 787 HA ASN 92 HA ASN 92 7.906 -0.146 8.892 788 HB2 ASN 92 2HB ASN 92 5.869 -1.510 8.889 789 HB3 ASN 92 1HB ASN 92 6.612 -2.643 7.759 790 HD21 ASN 92 1HD2 ASN 92 6.109 -2.054 11.062 791 HD22 ASN 92 2HD2 ASN 92 7.309 -3.081 11.683 792 H ARG 93 H ARG 93 8.389 -2.136 5.934 793 HA ARG 93 HA ARG 93 10.850 -3.260 6.985 794 HB2 ARG 93 2HB ARG 93 9.482 -4.375 5.227 795 HB3 ARG 93 1HB ARG 93 9.964 -3.116 4.095 796 HG2 ARG 93 2HG ARG 93 12.248 -3.768 4.145 797 HG3 ARG 93 1HG ARG 93 12.042 -4.720 5.611 798 HD2 ARG 93 2HD ARG 93 10.472 -6.215 4.243 799 HD3 ARG 93 1HD ARG 93 11.093 -5.385 2.823 800 HE ARG 93 HE ARG 93 12.502 -7.392 4.352 801 HH11 ARG 93 1HH2 ARG 93 12.817 -4.470 2.551 802 HH12 ARG 93 2HH2 ARG 93 14.455 -4.782 2.081 803 HH21 ARG 93 1HH1 ARG 93 14.636 -7.814 3.750 804 HH22 ARG 93 2HH1 ARG 93 15.484 -6.674 2.759 805 H TRP 94 H TRP 94 10.087 -0.511 4.885 806 HA TRP 94 HA TRP 94 12.699 0.137 4.042 807 HB2 TRP 94 2HB TRP 94 10.684 1.312 3.221 808 HB3 TRP 94 1HB TRP 94 10.467 2.045 4.811 809 HD1 TRP 94 HD TRP 94 13.487 1.702 2.401 810 HE1 TRP 94 1HE TRP 94 14.646 3.999 2.246 811 HE3 TRP 94 3HE TRP 94 10.472 4.422 5.498 812 HZ2 TRP 94 2HZ TRP 94 14.336 6.642 3.297 813 HZ3 TRP 94 3HZ TRP 94 10.927 6.824 5.903 814 HH2 TRP 94 HH TRP 94 12.853 7.937 4.807 815 H MET 95 H MET 95 11.004 0.943 7.062 816 HA MET 95 HA MET 95 13.180 2.511 8.136 817 HB2 MET 95 2HB MET 95 10.780 2.609 8.920 818 HB3 MET 95 1HB MET 95 11.031 1.038 9.683 819 HG2 MET 95 2HG MET 95 12.862 1.971 11.036 820 HG3 MET 95 1HG MET 95 12.644 3.540 10.261 821 HE1 MET 95 3HE MET 95 12.807 3.754 12.978 822 HE2 MET 95 1HE MET 95 11.326 4.378 13.718 823 HE3 MET 95 2HE MET 95 11.965 5.121 12.254 824 H MET 96 H MET 96 12.552 -0.896 7.895 825 HA MET 96 HA MET 96 14.384 -1.651 10.053 826 HB2 MET 96 2HB MET 96 12.450 -3.085 9.379 827 HB3 MET 96 1HB MET 96 13.224 -3.342 7.815 828 HG2 MET 96 2HG MET 96 15.137 -4.399 8.875 829 HG3 MET 96 1HG MET 96 14.506 -4.019 10.477 830 HE1 MET 96 3HE MET 96 14.289 -7.931 9.927 831 HE2 MET 96 1HE MET 96 15.236 -6.595 10.598 832 HE3 MET 96 2HE MET 96 15.311 -6.954 8.876 833 H ILE 97 H ILE 97 14.428 -1.522 6.503 834 HA ILE 97 HA ILE 97 17.228 -2.408 6.407 835 HB ILE 97 HB ILE 97 15.156 -1.613 4.351 836 HG12 ILE 97 2HG1 ILE 97 15.529 -3.866 3.530 837 HG13 ILE 97 1HG1 ILE 97 16.900 -4.079 4.616 838 HG21 ILE 97 1HG2 ILE 97 16.980 -2.133 2.616 839 HG22 ILE 97 2HG2 ILE 97 18.141 -1.908 3.925 840 HG23 ILE 97 3HG2 ILE 97 17.103 -0.573 3.427 841 HD11 ILE 97 3HD1 ILE 97 15.493 -4.072 6.548 842 HD12 ILE 97 1HD1 ILE 97 14.707 -5.134 5.381 843 HD13 ILE 97 2HD1 ILE 97 14.110 -3.495 5.619 844 H ALA 98 H ALA 98 15.381 0.586 6.183 845 HA ALA 98 HA ALA 98 17.608 2.213 5.327 846 HB1 ALA 98 1HB ALA 98 15.131 3.056 6.864 847 HB2 ALA 98 2HB ALA 98 15.245 2.958 5.106 848 HB3 ALA 98 3HB ALA 98 16.224 4.126 5.990 849 H ARG 99 H ARG 99 16.746 0.754 8.300 850 HA ARG 99 HA ARG 99 18.049 2.658 10.041 851 HB2 ARG 99 2HB ARG 99 16.362 1.162 10.961 852 HB3 ARG 99 1HB ARG 99 17.275 -0.249 10.437 853 HG2 ARG 99 2HG ARG 99 17.546 0.237 12.872 854 HG3 ARG 99 1HG ARG 99 19.075 0.280 12.003 855 HD2 ARG 99 2HD ARG 99 19.196 2.640 12.098 856 HD3 ARG 99 1HD ARG 99 17.470 2.808 12.422 857 HE ARG 99 HE ARG 99 18.739 1.347 14.550 858 HH11 ARG 99 1HH2 ARG 99 18.380 4.469 13.131 859 HH12 ARG 99 2HH2 ARG 99 18.638 5.320 14.617 860 HH21 ARG 99 1HH1 ARG 99 19.078 2.441 16.498 861 HH22 ARG 99 2HH1 ARG 99 19.034 4.172 16.523 862 H HIS 100 H HIS 100 19.074 0.116 7.962 863 HA HIS 100 HA HIS 100 21.630 -0.339 9.310 864 HB2 HIS 100 2HB HIS 100 20.434 -2.084 7.925 865 HB3 HIS 100 1HB HIS 100 20.813 -1.121 6.497 866 HD1 HIS 100 1HD HIS 100 22.797 -2.442 9.496 867 HD2 HIS 100 2HD HIS 100 23.169 -1.986 5.366 868 HE1 HIS 100 1HE HIS 100 25.066 -3.382 8.871 869 HE2 HIS 100 2HE HIS 100 25.302 -3.110 6.360 870 H ARG 101 H ARG 101 20.391 1.476 6.542 871 HA ARG 101 HA ARG 101 23.061 2.446 5.803 872 HB2 ARG 101 2HB ARG 101 20.274 3.120 4.827 873 HB3 ARG 101 1HB ARG 101 21.735 3.875 4.190 874 HG2 ARG 101 2HG ARG 101 22.608 1.676 3.530 875 HG3 ARG 101 1HG ARG 101 21.177 0.894 4.203 876 HD2 ARG 101 2HD ARG 101 21.096 1.257 1.699 877 HD3 ARG 101 1HD ARG 101 19.741 1.955 2.587 878 HE ARG 101 HE ARG 101 21.880 3.875 2.269 879 HH11 ARG 101 1HH2 ARG 101 19.259 2.270 0.708 880 HH12 ARG 101 2HH2 ARG 101 18.969 3.554 -0.418 881 HH21 ARG 101 1HH1 ARG 101 21.516 5.561 0.809 882 HH22 ARG 101 2HH1 ARG 101 20.247 5.416 -0.360 883 H ALA 102 H ALA 102 20.521 3.358 7.935 884 HA ALA 102 HA ALA 102 21.158 6.208 8.002 885 HB1 ALA 102 1HB ALA 102 19.646 6.248 9.955 886 HB2 ALA 102 2HB ALA 102 19.597 4.485 9.953 887 HB3 ALA 102 3HB ALA 102 18.911 5.389 8.602 888 H LYS 103 H LYS 103 22.870 3.564 9.005 889 HA LYS 103 HA LYS 103 23.815 4.663 11.576 890 HB2 LYS 103 2HB LYS 103 24.476 2.201 9.942 891 HB3 LYS 103 1HB LYS 103 25.383 2.638 11.391 892 HG2 LYS 103 2HG LYS 103 23.442 2.445 12.780 893 HG3 LYS 103 1HG LYS 103 22.369 2.357 11.384 894 HD2 LYS 103 2HD LYS 103 22.661 0.117 12.299 895 HD3 LYS 103 1HD LYS 103 23.456 0.206 10.729 896 HE2 LYS 103 2HE LYS 103 25.618 0.311 11.704 897 HE3 LYS 103 1HE LYS 103 24.974 0.713 13.297 898 HZ1 LYS 103 3HZ LYS 103 24.575 -1.865 11.880 899 HZ2 LYS 103 1HZ LYS 103 23.988 -1.477 13.423 900 HZ3 LYS 103 2HZ LYS 103 25.661 -1.601 13.159 901 H HIS 104 H HIS 104 25.002 4.180 8.255 902 HA HIS 104 HA HIS 104 27.624 5.288 8.844 903 HB2 HIS 104 2HB HIS 104 27.956 5.227 6.409 904 HB3 HIS 104 1HB HIS 104 27.261 3.707 6.971 905 HD1 HIS 104 1HD HIS 104 25.714 7.065 5.970 906 HD2 HIS 104 2HD HIS 104 25.289 2.989 5.190 907 HE1 HIS 104 1HE HIS 104 23.771 6.841 4.358 908 HE2 HIS 104 2HE HIS 104 23.503 4.364 3.879 909 H GLN 105 H GLN 105 24.571 6.664 8.493 910 HA GLN 105 HA GLN 105 25.147 9.047 7.039 911 HB2 GLN 105 2HB GLN 105 22.859 8.156 7.825 912 HB3 GLN 105 1HB GLN 105 23.230 8.891 9.382 913 HG2 GLN 105 2HG GLN 105 23.277 10.426 6.764 914 HG3 GLN 105 1HG GLN 105 21.870 10.349 7.823 915 HE21 GLN 105 1HE2 GLN 105 22.542 10.871 10.281 916 HE22 GLN 105 2HE2 GLN 105 23.543 12.230 10.463 917 H LYS 106 H LYS 106 25.775 8.107 10.366 918 HA LYS 106 HA LYS 106 27.633 10.350 10.673 919 HB2 LYS 106 2HB LYS 106 26.541 11.325 12.628 920 HB3 LYS 106 1HB LYS 106 25.439 11.380 11.253 921 HG2 LYS 106 2HG LYS 106 24.512 9.133 12.136 922 HG3 LYS 106 1HG LYS 106 25.382 9.503 13.625 923 HD2 LYS 106 2HD LYS 106 23.239 11.211 12.325 924 HD3 LYS 106 1HD LYS 106 23.080 10.291 13.819 925 HE2 LYS 106 2HE LYS 106 25.064 11.687 14.691 926 HE3 LYS 106 1HE LYS 106 24.774 12.742 13.307 927 HZ1 LYS 106 3HZ LYS 106 22.654 13.280 14.068 928 HZ2 LYS 106 1HZ LYS 106 23.607 13.308 15.471 929 HZ3 LYS 106 2HZ LYS 106 22.601 11.976 15.158 930 H SER 107 H SER 107 25.855 7.733 12.306 931 HA SER 107 HA SER 107 27.907 7.338 14.321 932 HB2 SER 107 2HB SER 107 25.570 6.642 14.699 933 HB3 SER 107 1HB SER 107 25.698 5.481 13.380 934 HG SER 107 HG SER 107 27.569 5.449 15.478 Start of MODEL 15 1 H1 LYS 1 1HT LYS 1 -3.553 10.451 -4.292 2 H2 LYS 1 2HT LYS 1 -4.065 9.862 -5.801 3 H3 LYS 1 3HT LYS 1 -2.407 9.994 -5.455 4 HA LYS 1 HA LYS 1 -3.496 7.691 -5.323 5 HB2 LYS 1 2HB LYS 1 -2.000 7.093 -3.458 6 HB3 LYS 1 1HB LYS 1 -1.206 8.228 -4.551 7 HG2 LYS 1 2HG LYS 1 -1.982 10.092 -3.017 8 HG3 LYS 1 1HG LYS 1 -2.487 8.845 -1.876 9 HD2 LYS 1 2HD LYS 1 -0.141 7.936 -1.942 10 HD3 LYS 1 1HD LYS 1 0.319 9.339 -2.908 11 HE2 LYS 1 2HE LYS 1 -0.973 9.512 -0.171 12 HE3 LYS 1 1HE LYS 1 0.764 9.630 -0.455 13 HZ1 LYS 1 2HZ LYS 1 -0.562 11.781 -0.339 14 HZ2 LYS 1 3HZ LYS 1 -1.151 11.370 -1.879 15 HZ3 LYS 1 1HZ LYS 1 0.512 11.599 -1.643 16 H VAL 2 H VAL 2 -3.563 6.744 -2.574 17 HA VAL 2 HA VAL 2 -6.309 6.724 -2.049 18 HB VAL 2 HB VAL 2 -3.942 6.405 -0.184 19 HG11 VAL 2 1HG1 VAL 2 -5.692 5.235 1.305 20 HG12 VAL 2 2HG1 VAL 2 -6.903 6.100 0.358 21 HG13 VAL 2 3HG1 VAL 2 -5.712 6.997 1.293 22 HG21 VAL 2 3HG2 VAL 2 -4.445 4.028 -0.421 23 HG22 VAL 2 1HG2 VAL 2 -4.276 4.744 -2.024 24 HG23 VAL 2 2HG2 VAL 2 -5.880 4.397 -1.378 25 H LYS 3 H LYS 3 -7.702 8.040 -0.991 26 HA LYS 3 HA LYS 3 -6.671 10.662 0.059 27 HB2 LYS 3 2HB LYS 3 -9.431 9.930 -0.975 28 HB3 LYS 3 1HB LYS 3 -8.923 11.527 -0.424 29 HG2 LYS 3 2HG LYS 3 -7.282 11.676 -2.216 30 HG3 LYS 3 1HG LYS 3 -7.643 10.027 -2.727 31 HD2 LYS 3 2HD LYS 3 -9.945 10.679 -3.277 32 HD3 LYS 3 1HD LYS 3 -9.625 12.322 -2.722 33 HE2 LYS 3 2HE LYS 3 -8.057 10.981 -4.937 34 HE3 LYS 3 1HE LYS 3 -9.457 12.012 -5.228 35 HZ1 LYS 3 3HZ LYS 3 -8.311 13.789 -4.009 36 HZ2 LYS 3 1HZ LYS 3 -7.452 13.301 -5.387 37 HZ3 LYS 3 2HZ LYS 3 -6.946 12.793 -3.848 38 H PHE 4 H PHE 4 -8.489 7.773 0.738 39 HA PHE 4 HA PHE 4 -9.653 8.784 3.222 40 HB2 PHE 4 2HB PHE 4 -10.180 6.302 3.554 41 HB3 PHE 4 1HB PHE 4 -10.946 7.097 2.198 42 HD1 PHE 4 2HD PHE 4 -8.233 4.758 3.190 43 HD2 PHE 4 1HD PHE 4 -10.390 6.540 -0.068 44 HE1 PHE 4 2HE PHE 4 -7.250 3.099 1.622 45 HE2 PHE 4 1HE PHE 4 -9.407 4.883 -1.630 46 HZ PHE 4 HZ PHE 4 -7.838 3.171 -0.788 47 H THR 5 H THR 5 -9.159 7.773 5.332 48 HA THR 5 HA THR 5 -6.240 7.634 5.724 49 HB THR 5 HB THR 5 -7.416 8.993 7.307 50 HG1 THR 5 1HG THR 5 -7.193 7.257 9.187 51 HG21 THR 5 3HG2 THR 5 -9.170 7.942 8.780 52 HG22 THR 5 1HG2 THR 5 -9.149 6.549 7.701 53 HG23 THR 5 2HG2 THR 5 -9.648 8.125 7.093 54 H GLU 6 H GLU 6 -5.331 5.965 7.083 55 HA GLU 6 HA GLU 6 -5.631 3.367 6.130 56 HB2 GLU 6 2HB GLU 6 -4.862 4.072 8.978 57 HB3 GLU 6 1HB GLU 6 -4.409 2.616 8.089 58 HG2 GLU 6 2HG GLU 6 -3.227 4.055 6.420 59 HG3 GLU 6 1HG GLU 6 -3.587 5.458 7.427 60 H GLU 7 H GLU 7 -7.334 4.857 8.890 61 HA GLU 7 HA GLU 7 -8.642 2.626 9.949 62 HB2 GLU 7 2HB GLU 7 -10.038 5.270 9.477 63 HB3 GLU 7 1HB GLU 7 -10.314 4.118 10.783 64 HG2 GLU 7 2HG GLU 7 -7.917 4.513 11.506 65 HG3 GLU 7 1HG GLU 7 -7.860 5.837 10.341 66 H GLU 8 H GLU 8 -9.499 4.478 7.036 67 HA GLU 8 HA GLU 8 -11.938 3.050 6.520 68 HB2 GLU 8 2HB GLU 8 -11.050 5.271 5.482 69 HB3 GLU 8 1HB GLU 8 -10.188 4.214 4.365 70 HG2 GLU 8 2HG GLU 8 -13.184 4.134 4.833 71 HG3 GLU 8 1HG GLU 8 -12.401 4.948 3.480 72 H ASP 9 H ASP 9 -8.587 2.699 5.400 73 HA ASP 9 HA ASP 9 -8.797 0.594 3.594 74 HB2 ASP 9 2HB ASP 9 -6.664 1.727 4.362 75 HB3 ASP 9 1HB ASP 9 -6.693 0.659 5.765 76 H LEU 10 H LEU 10 -9.161 0.488 7.068 77 HA LEU 10 HA LEU 10 -9.173 -2.414 7.267 78 HB2 LEU 10 2HB LEU 10 -10.564 -0.660 9.296 79 HB3 LEU 10 1HB LEU 10 -9.577 -2.098 9.558 80 HG LEU 10 HG LEU 10 -8.579 0.632 8.724 81 HD11 LEU 10 1HD1 LEU 10 -7.498 0.640 10.913 82 HD12 LEU 10 2HD1 LEU 10 -8.189 -0.943 11.268 83 HD13 LEU 10 3HD1 LEU 10 -9.243 0.459 11.084 84 HD21 LEU 10 3HD2 LEU 10 -7.163 -2.012 9.103 85 HD22 LEU 10 1HD2 LEU 10 -6.314 -0.466 9.110 86 HD23 LEU 10 2HD2 LEU 10 -7.168 -0.995 7.663 87 H LYS 11 H LYS 11 -11.565 0.156 6.860 88 HA LYS 11 HA LYS 11 -13.914 -1.411 7.198 89 HB2 LYS 11 2HB LYS 11 -13.721 1.135 6.908 90 HB3 LYS 11 1HB LYS 11 -13.588 0.828 5.176 91 HG2 LYS 11 2HG LYS 11 -15.741 -0.438 5.293 92 HG3 LYS 11 1HG LYS 11 -15.887 0.046 6.982 93 HD2 LYS 11 2HD LYS 11 -15.701 2.451 6.207 94 HD3 LYS 11 1HD LYS 11 -15.841 1.854 4.553 95 HE2 LYS 11 2HE LYS 11 -17.873 1.336 6.743 96 HE3 LYS 11 1HE LYS 11 -18.035 2.576 5.500 97 HZ1 LYS 11 3HZ LYS 11 -18.106 0.949 3.816 98 HZ2 LYS 11 1HZ LYS 11 -19.166 0.408 5.023 99 HZ3 LYS 11 2HZ LYS 11 -17.625 -0.290 4.873 100 H LEU 12 H LEU 12 -11.722 -0.951 4.486 101 HA LEU 12 HA LEU 12 -13.234 -2.281 2.481 102 HB2 LEU 12 2HB LEU 12 -10.219 -2.336 2.759 103 HB3 LEU 12 1HB LEU 12 -11.165 -2.421 1.278 104 HG LEU 12 HG LEU 12 -10.969 -0.041 3.129 105 HD11 LEU 12 1HD1 LEU 12 -9.000 -0.619 1.587 106 HD12 LEU 12 2HD1 LEU 12 -9.687 0.994 1.405 107 HD13 LEU 12 3HD1 LEU 12 -10.088 -0.271 0.244 108 HD21 LEU 12 3HD2 LEU 12 -13.163 0.040 2.252 109 HD22 LEU 12 1HD2 LEU 12 -12.660 -0.599 0.686 110 HD23 LEU 12 2HD2 LEU 12 -12.235 1.050 1.149 111 H GLN 13 H GLN 13 -10.800 -3.502 4.797 112 HA GLN 13 HA GLN 13 -10.750 -6.180 3.930 113 HB2 GLN 13 2HB GLN 13 -9.271 -5.376 5.701 114 HB3 GLN 13 1HB GLN 13 -10.645 -5.079 6.760 115 HG2 GLN 13 2HG GLN 13 -9.452 -7.193 7.317 116 HG3 GLN 13 1HG GLN 13 -11.129 -7.481 6.865 117 HE21 GLN 13 1HE2 GLN 13 -11.507 -8.279 4.597 118 HE22 GLN 13 2HE2 GLN 13 -10.279 -9.134 3.803 119 H GLN 14 H GLN 14 -13.177 -4.520 5.900 120 HA GLN 14 HA GLN 14 -14.694 -6.994 6.390 121 HB2 GLN 14 2HB GLN 14 -15.568 -4.134 6.776 122 HB3 GLN 14 1HB GLN 14 -16.309 -5.574 7.472 123 HG2 GLN 14 2HG GLN 14 -14.167 -6.059 8.658 124 HG3 GLN 14 1HG GLN 14 -13.509 -4.547 8.032 125 HE21 GLN 14 1HE2 GLN 14 -14.223 -5.412 10.894 126 HE22 GLN 14 2HE2 GLN 14 -15.234 -4.172 11.462 127 H LEU 15 H LEU 15 -15.483 -3.975 4.594 128 HA LEU 15 HA LEU 15 -17.849 -5.020 3.413 129 HB2 LEU 15 2HB LEU 15 -15.937 -2.822 2.587 130 HB3 LEU 15 1HB LEU 15 -17.334 -3.219 1.596 131 HG LEU 15 HG LEU 15 -17.555 -1.295 3.339 132 HD11 LEU 15 1HD1 LEU 15 -19.562 -3.530 3.028 133 HD12 LEU 15 2HD1 LEU 15 -19.509 -1.975 2.207 134 HD13 LEU 15 3HD1 LEU 15 -19.933 -2.053 3.913 135 HD21 LEU 15 3HD2 LEU 15 -16.585 -2.659 5.230 136 HD22 LEU 15 1HD2 LEU 15 -18.060 -3.619 5.225 137 HD23 LEU 15 2HD2 LEU 15 -18.127 -1.901 5.595 138 H VAL 16 H VAL 16 -14.550 -4.815 2.087 139 HA VAL 16 HA VAL 16 -15.082 -6.162 -0.345 140 HB VAL 16 HB VAL 16 -12.523 -6.300 1.274 141 HG11 VAL 16 1HG1 VAL 16 -13.164 -6.690 -1.645 142 HG12 VAL 16 2HG1 VAL 16 -12.539 -7.898 -0.526 143 HG13 VAL 16 3HG1 VAL 16 -11.527 -6.539 -1.013 144 HG21 VAL 16 3HG2 VAL 16 -13.414 -3.951 0.818 145 HG22 VAL 16 1HG2 VAL 16 -13.280 -4.321 -0.896 146 HG23 VAL 16 2HG2 VAL 16 -11.838 -4.299 0.113 147 H MET 17 H MET 17 -14.488 -7.426 2.934 148 HA MET 17 HA MET 17 -14.136 -10.151 2.090 149 HB2 MET 17 2HB MET 17 -13.471 -9.586 4.318 150 HB3 MET 17 1HB MET 17 -15.047 -8.900 4.694 151 HG2 MET 17 2HG MET 17 -16.083 -11.042 4.721 152 HG3 MET 17 1HG MET 17 -14.686 -11.806 3.962 153 HE1 MET 17 3HE MET 17 -15.714 -13.274 5.992 154 HE2 MET 17 1HE MET 17 -16.411 -12.112 7.130 155 HE3 MET 17 2HE MET 17 -15.099 -13.172 7.640 156 H ARG 18 H ARG 18 -16.941 -8.096 2.654 157 HA ARG 18 HA ARG 18 -18.851 -10.315 2.503 158 HB2 ARG 18 2HB ARG 18 -19.275 -8.151 3.732 159 HB3 ARG 18 1HB ARG 18 -19.383 -7.352 2.163 160 HG2 ARG 18 2HG ARG 18 -21.221 -8.867 1.515 161 HG3 ARG 18 1HG ARG 18 -21.117 -9.662 3.086 162 HD2 ARG 18 2HD ARG 18 -21.560 -7.426 4.162 163 HD3 ARG 18 1HD ARG 18 -21.862 -6.774 2.551 164 HE ARG 18 HE ARG 18 -23.685 -8.439 4.075 165 HH11 ARG 18 1HH2 ARG 18 -22.526 -7.600 0.936 166 HH12 ARG 18 2HH2 ARG 18 -23.999 -8.031 0.132 167 HH21 ARG 18 1HH1 ARG 18 -25.613 -9.007 3.042 168 HH22 ARG 18 2HH1 ARG 18 -25.746 -8.827 1.324 169 H TYR 19 H TYR 19 -17.351 -8.066 0.252 170 HA TYR 19 HA TYR 19 -19.137 -8.989 -1.965 171 HB2 TYR 19 2HB TYR 19 -17.058 -6.782 -1.894 172 HB3 TYR 19 1HB TYR 19 -18.137 -7.142 -3.238 173 HD1 TYR 19 2HD TYR 19 -20.711 -7.318 -2.570 174 HD2 TYR 19 1HD TYR 19 -17.753 -5.116 -0.366 175 HE1 TYR 19 2HE TYR 19 -22.498 -5.953 -1.531 176 HE2 TYR 19 1HE TYR 19 -19.540 -3.757 0.668 177 HH TYR 19 HH TYR 19 -22.434 -4.461 1.001 178 H GLY 20 H GLY 20 -16.207 -9.792 -0.572 179 HA2 GLY 20 2HA GLY 20 -14.627 -11.387 -1.307 180 HA3 GLY 20 1HA GLY 20 -15.438 -11.420 -2.875 181 H ALA 21 H ALA 21 -15.209 -9.293 -4.119 182 HA ALA 21 HA ALA 21 -13.372 -7.285 -3.880 183 HB1 ALA 21 1HB ALA 21 -11.436 -8.536 -3.456 184 HB2 ALA 21 2HB ALA 21 -11.344 -8.411 -5.206 185 HB3 ALA 21 3HB ALA 21 -11.968 -9.883 -4.461 186 H LYS 22 H LYS 22 -15.659 -7.562 -5.291 187 HA LYS 22 HA LYS 22 -14.740 -7.064 -8.070 188 HB2 LYS 22 2HB LYS 22 -16.822 -9.148 -7.369 189 HB3 LYS 22 1HB LYS 22 -16.494 -8.564 -9.000 190 HG2 LYS 22 2HG LYS 22 -14.063 -9.268 -8.615 191 HG3 LYS 22 1HG LYS 22 -14.638 -10.110 -7.175 192 HD2 LYS 22 2HD LYS 22 -16.183 -11.439 -8.540 193 HD3 LYS 22 1HD LYS 22 -15.669 -10.574 -9.990 194 HE2 LYS 22 2HE LYS 22 -13.323 -11.371 -9.545 195 HE3 LYS 22 1HE LYS 22 -13.965 -12.369 -8.240 196 HZ1 LYS 22 3HZ LYS 22 -13.848 -13.716 -10.165 197 HZ2 LYS 22 1HZ LYS 22 -14.606 -12.543 -11.129 198 HZ3 LYS 22 2HZ LYS 22 -15.492 -13.356 -9.928 199 H ASP 23 H ASP 23 -17.105 -6.610 -5.542 200 HA ASP 23 HA ASP 23 -18.844 -4.990 -7.349 201 HB2 ASP 23 2HB ASP 23 -19.348 -5.508 -4.412 202 HB3 ASP 23 1HB ASP 23 -20.512 -5.127 -5.681 203 H TRP 24 H TRP 24 -16.350 -3.924 -6.975 204 HA TRP 24 HA TRP 24 -16.126 -2.137 -4.743 205 HB2 TRP 24 2HB TRP 24 -14.942 -1.879 -7.524 206 HB3 TRP 24 1HB TRP 24 -14.384 -1.033 -6.075 207 HD1 TRP 24 HD TRP 24 -14.397 -4.456 -7.740 208 HE1 TRP 24 1HE TRP 24 -12.822 -6.021 -6.426 209 HE3 TRP 24 3HE TRP 24 -13.382 -1.482 -3.754 210 HZ2 TRP 24 2HZ TRP 24 -11.323 -5.995 -3.970 211 HZ3 TRP 24 3HZ TRP 24 -11.875 -2.244 -1.945 212 HH2 TRP 24 HH TRP 24 -10.855 -4.502 -2.037 213 H ILE 25 H ILE 25 -18.090 -2.105 -7.525 214 HA ILE 25 HA ILE 25 -18.456 0.765 -7.723 215 HB ILE 25 HB ILE 25 -20.605 0.016 -8.955 216 HG12 ILE 25 2HG1 ILE 25 -19.243 -2.686 -8.789 217 HG13 ILE 25 1HG1 ILE 25 -20.618 -2.240 -7.780 218 HG21 ILE 25 1HG2 ILE 25 -19.301 -0.764 -10.928 219 HG22 ILE 25 2HG2 ILE 25 -17.890 -0.960 -9.889 220 HG23 ILE 25 3HG2 ILE 25 -18.569 0.645 -10.158 221 HD11 ILE 25 3HD1 ILE 25 -20.593 -2.225 -10.812 222 HD12 ILE 25 1HD1 ILE 25 -21.969 -1.811 -9.790 223 HD13 ILE 25 2HD1 ILE 25 -21.346 -3.461 -9.804 224 H ARG 26 H ARG 26 -19.874 -1.875 -5.921 225 HA ARG 26 HA ARG 26 -22.063 -0.271 -4.864 226 HB2 ARG 26 2HB ARG 26 -21.864 -2.890 -5.168 227 HB3 ARG 26 1HB ARG 26 -21.080 -2.833 -3.594 228 HG2 ARG 26 2HG ARG 26 -23.836 -1.712 -4.218 229 HG3 ARG 26 1HG ARG 26 -23.524 -3.244 -3.405 230 HD2 ARG 26 2HD ARG 26 -22.128 -1.801 -1.726 231 HD3 ARG 26 1HD ARG 26 -23.042 -0.447 -2.394 232 HE ARG 26 HE ARG 26 -24.085 -2.472 -0.605 233 HH11 ARG 26 1HH2 ARG 26 -24.776 -0.371 -3.250 234 HH12 ARG 26 2HH2 ARG 26 -26.467 -0.256 -2.889 235 HH21 ARG 26 1HH1 ARG 26 -26.288 -2.333 -0.119 236 HH22 ARG 26 2HH1 ARG 26 -27.322 -1.367 -1.116 237 H ILE 27 H ILE 27 -19.007 -1.610 -3.608 238 HA ILE 27 HA ILE 27 -19.143 -0.497 -1.027 239 HB ILE 27 HB ILE 27 -16.649 -0.820 -2.717 240 HG12 ILE 27 2HG1 ILE 27 -17.963 -2.801 -0.829 241 HG13 ILE 27 1HG1 ILE 27 -18.094 -2.880 -2.583 242 HG21 ILE 27 1HG2 ILE 27 -16.246 0.470 -0.696 243 HG22 ILE 27 2HG2 ILE 27 -15.596 -1.149 -0.457 244 HG23 ILE 27 3HG2 ILE 27 -17.136 -0.702 0.274 245 HD11 ILE 27 3HD1 ILE 27 -15.638 -3.260 -0.869 246 HD12 ILE 27 1HD1 ILE 27 -15.499 -2.873 -2.584 247 HD13 ILE 27 2HD1 ILE 27 -16.310 -4.352 -2.078 248 H SER 28 H SER 28 -18.153 0.934 -4.095 249 HA SER 28 HA SER 28 -17.163 3.387 -2.892 250 HB2 SER 28 2HB SER 28 -17.942 2.658 -5.721 251 HB3 SER 28 1HB SER 28 -17.293 4.233 -5.272 252 HG SER 28 HG SER 28 -15.390 3.330 -4.807 253 H GLN 29 H GLN 29 -20.288 2.239 -4.005 254 HA GLN 29 HA GLN 29 -21.557 4.812 -4.211 255 HB2 GLN 29 2HB GLN 29 -22.577 2.004 -3.758 256 HB3 GLN 29 1HB GLN 29 -23.687 3.370 -3.707 257 HG2 GLN 29 2HG GLN 29 -21.795 3.048 -6.046 258 HG3 GLN 29 1HG GLN 29 -23.298 2.129 -5.994 259 HE21 GLN 29 1HE2 GLN 29 -21.996 5.461 -6.011 260 HE22 GLN 29 2HE2 GLN 29 -23.426 6.189 -6.561 261 H LEU 30 H LEU 30 -21.072 2.587 -1.484 262 HA LEU 30 HA LEU 30 -22.672 4.106 0.377 263 HB2 LEU 30 2HB LEU 30 -20.282 2.414 1.153 264 HB3 LEU 30 1HB LEU 30 -21.764 2.701 2.064 265 HG LEU 30 HG LEU 30 -21.507 1.111 -0.502 266 HD11 LEU 30 1HD1 LEU 30 -22.113 -0.789 0.899 267 HD12 LEU 30 2HD1 LEU 30 -22.291 0.266 2.301 268 HD13 LEU 30 3HD1 LEU 30 -20.698 0.010 1.586 269 HD21 LEU 30 3HD2 LEU 30 -23.913 1.959 1.135 270 HD22 LEU 30 1HD2 LEU 30 -23.962 0.577 0.039 271 HD23 LEU 30 2HD2 LEU 30 -23.640 2.189 -0.593 272 H MET 31 H MET 31 -19.206 4.041 -0.393 273 HA MET 31 HA MET 31 -18.878 6.678 1.027 274 HB2 MET 31 2HB MET 31 -16.940 4.372 0.707 275 HB3 MET 31 1HB MET 31 -16.480 5.967 1.304 276 HG2 MET 31 2HG MET 31 -18.689 4.316 2.554 277 HG3 MET 31 1HG MET 31 -17.016 4.261 3.108 278 HE1 MET 31 3HE MET 31 -19.039 4.656 4.941 279 HE2 MET 31 1HE MET 31 -20.252 5.760 4.281 280 HE3 MET 31 2HE MET 31 -19.266 6.249 5.656 281 H ILE 32 H ILE 32 -19.654 7.303 -1.300 282 HA ILE 32 HA ILE 32 -18.032 6.986 -3.577 283 HB ILE 32 HB ILE 32 -19.319 9.665 -3.001 284 HG12 ILE 32 2HG1 ILE 32 -21.460 8.372 -3.972 285 HG13 ILE 32 1HG1 ILE 32 -20.696 6.980 -3.216 286 HG21 ILE 32 1HG2 ILE 32 -18.177 9.287 -5.153 287 HG22 ILE 32 2HG2 ILE 32 -19.913 9.494 -5.385 288 HG23 ILE 32 3HG2 ILE 32 -19.201 7.883 -5.454 289 HD11 ILE 32 3HD1 ILE 32 -20.536 8.824 -1.176 290 HD12 ILE 32 1HD1 ILE 32 -21.859 7.676 -1.378 291 HD13 ILE 32 2HD1 ILE 32 -22.022 9.322 -1.980 292 H THR 33 H THR 33 -17.152 8.381 -0.656 293 HA THR 33 HA THR 33 -15.587 10.606 -1.277 294 HB THR 33 HB THR 33 -14.814 8.385 0.634 295 HG1 THR 33 1HG THR 33 -16.978 9.771 0.622 296 HG21 THR 33 3HG2 THR 33 -14.072 11.310 0.410 297 HG22 THR 33 1HG2 THR 33 -12.991 9.917 0.368 298 HG23 THR 33 2HG2 THR 33 -13.799 10.359 1.871 299 H ARG 34 H ARG 34 -15.169 7.383 -2.407 300 HA ARG 34 HA ARG 34 -12.574 8.201 -3.659 301 HB2 ARG 34 2HB ARG 34 -11.376 6.295 -2.970 302 HB3 ARG 34 1HB ARG 34 -12.241 6.775 -1.517 303 HG2 ARG 34 2HG ARG 34 -13.009 4.534 -3.420 304 HG3 ARG 34 1HG ARG 34 -12.405 4.366 -1.777 305 HD2 ARG 34 2HD ARG 34 -15.045 5.572 -2.619 306 HD3 ARG 34 1HD ARG 34 -14.800 4.088 -1.710 307 HE ARG 34 HE ARG 34 -14.691 6.802 -0.625 308 HH11 ARG 34 1HH2 ARG 34 -13.679 3.517 -0.355 309 HH12 ARG 34 2HH2 ARG 34 -13.406 3.601 1.353 310 HH21 ARG 34 1HH1 ARG 34 -14.340 6.929 1.608 311 HH22 ARG 34 2HH1 ARG 34 -13.785 5.531 2.463 312 H ASN 35 H ASN 35 -11.943 6.448 -5.359 313 HA ASN 35 HA ASN 35 -14.407 5.857 -6.929 314 HB2 ASN 35 2HB ASN 35 -11.543 5.807 -7.897 315 HB3 ASN 35 1HB ASN 35 -13.007 5.863 -8.877 316 HD21 ASN 35 1HD2 ASN 35 -11.825 7.783 -6.047 317 HD22 ASN 35 2HD2 ASN 35 -12.102 9.291 -6.777 318 HA PRO 36 HA PRO 36 -14.197 1.443 -6.312 319 HB2 PRO 36 2HB PRO 36 -13.949 1.292 -9.321 320 HB3 PRO 36 1HB PRO 36 -14.991 0.351 -8.235 321 HG2 PRO 36 2HG PRO 36 -15.977 2.378 -9.650 322 HG3 PRO 36 1HG PRO 36 -16.516 2.074 -7.988 323 HD2 PRO 36 2HD PRO 36 -14.753 4.260 -9.008 324 HD3 PRO 36 1HD PRO 36 -15.823 4.232 -7.587 325 H ARG 37 H ARG 37 -12.006 2.766 -8.777 326 HA ARG 37 HA ARG 37 -10.040 0.680 -8.604 327 HB2 ARG 37 2HB ARG 37 -9.776 3.549 -9.538 328 HB3 ARG 37 1HB ARG 37 -8.584 2.278 -9.812 329 HG2 ARG 37 2HG ARG 37 -10.207 0.977 -11.092 330 HG3 ARG 37 1HG ARG 37 -11.466 2.164 -10.749 331 HD2 ARG 37 2HD ARG 37 -10.427 2.440 -13.017 332 HD3 ARG 37 1HD ARG 37 -10.277 3.871 -11.998 333 HE ARG 37 HE ARG 37 -7.943 3.571 -12.043 334 HH11 ARG 37 1HH2 ARG 37 -9.628 0.673 -12.856 335 HH12 ARG 37 2HH2 ARG 37 -8.191 -0.210 -13.247 336 HH21 ARG 37 1HH1 ARG 37 -6.058 2.433 -12.551 337 HH22 ARG 37 2HH1 ARG 37 -6.169 0.786 -13.075 338 H GLN 38 H GLN 38 -10.607 3.598 -6.749 339 HA GLN 38 HA GLN 38 -7.955 3.725 -5.591 340 HB2 GLN 38 2HB GLN 38 -10.602 4.937 -4.772 341 HB3 GLN 38 1HB GLN 38 -9.088 5.262 -3.932 342 HG2 GLN 38 2HG GLN 38 -9.398 5.672 -6.915 343 HG3 GLN 38 1HG GLN 38 -9.743 6.945 -5.746 344 HE21 GLN 38 1HE2 GLN 38 -7.947 7.944 -4.656 345 HE22 GLN 38 2HE2 GLN 38 -6.333 7.616 -5.069 346 H CYS 39 H CYS 39 -10.995 2.156 -4.552 347 HA CYS 39 HA CYS 39 -9.727 1.356 -2.001 348 HB2 CYS 39 2HB CYS 39 -12.017 0.065 -1.891 349 HB3 CYS 39 1HB CYS 39 -11.996 1.812 -1.698 350 HG CYS 39 HG CYS 39 -13.782 0.937 -3.562 351 H ARG 40 H ARG 40 -10.340 0.118 -5.190 352 HA ARG 40 HA ARG 40 -9.962 -2.685 -4.542 353 HB2 ARG 40 2HB ARG 40 -11.080 -2.185 -6.597 354 HB3 ARG 40 1HB ARG 40 -9.824 -1.061 -7.082 355 HG2 ARG 40 2HG ARG 40 -9.705 -3.187 -8.354 356 HG3 ARG 40 1HG ARG 40 -8.243 -2.921 -7.419 357 HD2 ARG 40 2HD ARG 40 -9.019 -4.476 -5.708 358 HD3 ARG 40 1HD ARG 40 -10.564 -4.649 -6.531 359 HE ARG 40 HE ARG 40 -8.094 -5.988 -7.259 360 HH11 ARG 40 1HH2 ARG 40 -11.067 -4.642 -8.374 361 HH12 ARG 40 2HH2 ARG 40 -11.153 -5.656 -9.775 362 HH21 ARG 40 1HH1 ARG 40 -8.190 -7.319 -9.083 363 HH22 ARG 40 2HH1 ARG 40 -9.525 -7.172 -10.176 364 H GLU 41 H GLU 41 -7.889 0.020 -5.445 365 HA GLU 41 HA GLU 41 -5.524 -1.482 -5.929 366 HB2 GLU 41 2HB GLU 41 -4.404 0.566 -5.987 367 HB3 GLU 41 1HB GLU 41 -6.061 1.104 -6.239 368 HG2 GLU 41 2HG GLU 41 -6.128 1.319 -3.626 369 HG3 GLU 41 1HG GLU 41 -4.374 1.282 -3.740 370 H ARG 42 H ARG 42 -7.198 -0.577 -2.992 371 HA ARG 42 HA ARG 42 -4.941 -1.141 -1.223 372 HB2 ARG 42 2HB ARG 42 -7.926 -1.117 -0.683 373 HB3 ARG 42 1HB ARG 42 -6.683 -1.229 0.561 374 HG2 ARG 42 2HG ARG 42 -6.957 1.060 -1.413 375 HG3 ARG 42 1HG ARG 42 -7.522 1.094 0.256 376 HD2 ARG 42 2HD ARG 42 -5.430 2.084 0.529 377 HD3 ARG 42 1HD ARG 42 -4.976 0.399 0.752 378 HE ARG 42 HE ARG 42 -4.758 0.889 -2.001 379 HH11 ARG 42 1HH2 ARG 42 -3.492 2.103 0.967 380 HH12 ARG 42 2HH2 ARG 42 -1.964 2.552 0.288 381 HH21 ARG 42 1HH1 ARG 42 -2.763 1.468 -2.906 382 HH22 ARG 42 2HH1 ARG 42 -1.553 2.194 -1.904 383 H TRP 43 H TRP 43 -7.573 -3.029 -2.597 384 HA TRP 43 HA TRP 43 -7.543 -5.376 -1.116 385 HB2 TRP 43 2HB TRP 43 -8.877 -4.823 -3.222 386 HB3 TRP 43 1HB TRP 43 -7.461 -5.296 -4.142 387 HD1 TRP 43 HD TRP 43 -9.196 -6.981 -1.117 388 HE1 TRP 43 1HE TRP 43 -9.659 -9.438 -1.731 389 HE3 TRP 43 3HE TRP 43 -7.445 -7.023 -5.904 390 HZ2 TRP 43 2HZ TRP 43 -9.332 -11.192 -3.967 391 HZ3 TRP 43 3HZ TRP 43 -7.534 -9.098 -7.257 392 HH2 TRP 43 HH TRP 43 -8.473 -11.181 -6.296 393 H ASN 44 H ASN 44 -5.477 -4.832 -3.958 394 HA ASN 44 HA ASN 44 -3.803 -7.123 -3.321 395 HB2 ASN 44 2HB ASN 44 -3.150 -4.861 -5.224 396 HB3 ASN 44 1HB ASN 44 -2.538 -6.515 -5.264 397 HD21 ASN 44 1HD2 ASN 44 -5.533 -4.591 -5.674 398 HD22 ASN 44 2HD2 ASN 44 -6.325 -5.740 -6.641 399 H ASN 45 H ASN 45 -3.391 -3.596 -3.002 400 HA ASN 45 HA ASN 45 -0.686 -3.930 -1.895 401 HB2 ASN 45 2HB ASN 45 -2.460 -1.469 -2.034 402 HB3 ASN 45 1HB ASN 45 -0.733 -1.488 -1.677 403 HD21 ASN 45 1HD2 ASN 45 -2.326 -0.339 -4.057 404 HD22 ASN 45 2HD2 ASN 45 -1.547 -0.985 -5.420 405 H TYR 46 H TYR 46 -3.345 -4.902 -0.458 406 HA TYR 46 HA TYR 46 -2.321 -4.126 2.192 407 HB2 TYR 46 2HB TYR 46 -4.246 -2.491 1.141 408 HB3 TYR 46 1HB TYR 46 -5.263 -3.657 1.974 409 HD1 TYR 46 1HD TYR 46 -4.229 -4.345 4.411 410 HD2 TYR 46 2HD TYR 46 -3.608 -0.601 2.399 411 HE1 TYR 46 1HE TYR 46 -3.737 -3.264 6.580 412 HE2 TYR 46 2HE TYR 46 -3.116 0.479 4.570 413 HH TYR 46 HH TYR 46 -2.611 -1.333 7.456 414 H ILE 47 H ILE 47 -5.215 -5.720 0.695 415 HA ILE 47 HA ILE 47 -4.447 -8.172 2.175 416 HB ILE 47 HB ILE 47 -6.361 -8.436 3.465 417 HG12 ILE 47 2HG1 ILE 47 -8.084 -8.080 1.694 418 HG13 ILE 47 1HG1 ILE 47 -8.489 -7.281 3.195 419 HG21 ILE 47 1HG2 ILE 47 -6.009 -5.432 3.336 420 HG22 ILE 47 2HG2 ILE 47 -5.074 -6.551 4.323 421 HG23 ILE 47 3HG2 ILE 47 -6.790 -6.317 4.642 422 HD11 ILE 47 3HD1 ILE 47 -8.766 -5.959 0.966 423 HD12 ILE 47 1HD1 ILE 47 -7.027 -5.740 1.080 424 HD13 ILE 47 2HD1 ILE 47 -8.065 -5.150 2.364 425 H ASN 48 H ASN 48 -4.490 -9.782 0.868 426 HA ASN 48 HA ASN 48 -6.627 -10.679 -0.717 427 HB2 ASN 48 2HB ASN 48 -6.481 -9.518 -2.679 428 HB3 ASN 48 1HB ASN 48 -5.180 -8.571 -2.013 429 HD21 ASN 48 1HD2 ASN 48 -3.147 -8.801 -2.976 430 HD22 ASN 48 2HD2 ASN 48 -2.741 -10.038 -4.064 431 HA PRO 49 HA PRO 49 -2.821 -13.395 -1.298 432 HB2 PRO 49 2HB PRO 49 -0.299 -12.340 -1.157 433 HB3 PRO 49 1HB PRO 49 -1.333 -12.155 -2.588 434 HG2 PRO 49 2HG PRO 49 -0.496 -10.111 -0.675 435 HG3 PRO 49 1HG PRO 49 -1.291 -9.905 -2.238 436 HD2 PRO 49 2HD PRO 49 -2.517 -9.953 0.465 437 HD3 PRO 49 1HD PRO 49 -3.194 -9.354 -1.056 438 H ALA 50 H ALA 50 -2.977 -11.419 1.472 439 HA ALA 50 HA ALA 50 -2.641 -11.931 3.736 440 HB1 ALA 50 1HB ALA 50 -3.173 -14.360 2.772 441 HB2 ALA 50 2HB ALA 50 -2.532 -14.169 4.402 442 HB3 ALA 50 3HB ALA 50 -1.459 -14.630 3.083 443 H LEU 51 H LEU 51 -0.900 -10.320 2.768 444 HA LEU 51 HA LEU 51 1.861 -11.384 3.042 445 HB2 LEU 51 2HB LEU 51 2.339 -8.841 2.424 446 HB3 LEU 51 1HB LEU 51 1.817 -9.973 1.183 447 HG LEU 51 HG LEU 51 -0.513 -9.209 1.446 448 HD11 LEU 51 1HD1 LEU 51 -0.854 -7.086 2.816 449 HD12 LEU 51 2HD1 LEU 51 0.703 -7.439 3.567 450 HD13 LEU 51 3HD1 LEU 51 -0.638 -8.571 3.739 451 HD21 LEU 51 3HD2 LEU 51 1.146 -8.061 -0.097 452 HD22 LEU 51 1HD2 LEU 51 1.315 -6.834 1.157 453 HD23 LEU 51 2HD2 LEU 51 -0.244 -7.083 0.376 454 H ARG 52 H ARG 52 0.045 -11.126 5.384 455 HA ARG 52 HA ARG 52 0.645 -8.860 6.974 456 HB2 ARG 52 2HB ARG 52 0.212 -10.357 8.922 457 HB3 ARG 52 1HB ARG 52 -1.021 -10.513 7.671 458 HG2 ARG 52 2HG ARG 52 0.223 -12.492 6.766 459 HG3 ARG 52 1HG ARG 52 1.326 -12.376 8.139 460 HD2 ARG 52 2HD ARG 52 -0.592 -12.640 9.687 461 HD3 ARG 52 1HD ARG 52 -1.673 -12.805 8.302 462 HE ARG 52 HE ARG 52 0.464 -14.722 8.120 463 HH11 ARG 52 1HH2 ARG 52 -2.441 -13.929 9.800 464 HH12 ARG 52 2HH2 ARG 52 -2.836 -15.575 10.167 465 HH21 ARG 52 1HH1 ARG 52 -0.035 -16.877 8.591 466 HH22 ARG 52 2HH1 ARG 52 -1.474 -17.244 9.482 467 H THR 53 H THR 53 2.739 -11.157 5.706 468 HA THR 53 HA THR 53 5.001 -10.090 7.226 469 HB THR 53 HB THR 53 4.444 -13.068 7.372 470 HG1 THR 53 1HG THR 53 3.905 -10.948 9.146 471 HG21 THR 53 3HG2 THR 53 6.457 -11.270 8.751 472 HG22 THR 53 1HG2 THR 53 6.812 -12.425 7.467 473 HG23 THR 53 2HG2 THR 53 6.267 -12.998 9.044 474 H ASP 54 H ASP 54 5.111 -9.521 4.820 475 HA ASP 54 HA ASP 54 6.649 -11.640 3.349 476 HB2 ASP 54 2HB ASP 54 4.279 -11.378 2.496 477 HB3 ASP 54 1HB ASP 54 4.696 -9.720 2.061 478 HA PRO 55 HA PRO 55 8.747 -7.421 3.594 479 HB2 PRO 55 2HB PRO 55 11.105 -8.267 4.719 480 HB3 PRO 55 1HB PRO 55 9.683 -7.822 5.689 481 HG2 PRO 55 2HG PRO 55 10.605 -10.537 4.824 482 HG3 PRO 55 1HG PRO 55 10.072 -9.994 6.428 483 HD2 PRO 55 2HD PRO 55 8.406 -11.340 4.783 484 HD3 PRO 55 1HD PRO 55 7.798 -10.041 5.834 485 H TRP 56 H TRP 56 9.949 -6.750 1.872 486 HA TRP 56 HA TRP 56 10.834 -8.731 -0.090 487 HB2 TRP 56 2HB TRP 56 11.728 -6.436 -1.185 488 HB3 TRP 56 1HB TRP 56 10.045 -6.925 -1.278 489 HD1 TRP 56 HD TRP 56 8.344 -5.781 0.527 490 HE1 TRP 56 1HE TRP 56 8.387 -3.393 1.517 491 HE3 TRP 56 3HE TRP 56 13.238 -4.591 -0.300 492 HZ2 TRP 56 2HZ TRP 56 10.274 -1.276 1.916 493 HZ3 TRP 56 3HZ TRP 56 14.126 -2.396 0.389 494 HH2 TRP 56 HH TRP 56 12.660 -0.735 1.501 495 H SER 57 H SER 57 13.143 -7.765 -1.164 496 HA SER 57 HA SER 57 15.152 -7.839 1.066 497 HB2 SER 57 2HB SER 57 15.921 -9.307 -1.392 498 HB3 SER 57 1HB SER 57 16.024 -9.820 0.294 499 HG SER 57 HG SER 57 14.511 -11.031 -0.943 500 HA PRO 58 HA PRO 58 17.762 -4.824 -0.846 501 HB2 PRO 58 2HB PRO 58 19.519 -6.972 -2.020 502 HB3 PRO 58 1HB PRO 58 19.986 -5.488 -1.157 503 HG2 PRO 58 2HG PRO 58 20.031 -7.766 0.132 504 HG3 PRO 58 1HG PRO 58 19.312 -6.344 0.918 505 HD2 PRO 58 2HD PRO 58 17.928 -8.684 -0.364 506 HD3 PRO 58 1HD PRO 58 17.495 -7.811 1.125 507 H GLU 59 H GLU 59 16.405 -7.218 -2.885 508 HA GLU 59 HA GLU 59 17.219 -6.136 -5.425 509 HB2 GLU 59 2HB GLU 59 14.875 -7.917 -4.684 510 HB3 GLU 59 1HB GLU 59 15.403 -7.574 -6.331 511 HG2 GLU 59 2HG GLU 59 17.636 -8.525 -5.786 512 HG3 GLU 59 1HG GLU 59 17.044 -8.936 -4.177 513 H GLU 60 H GLU 60 14.312 -5.837 -3.366 514 HA GLU 60 HA GLU 60 13.142 -3.870 -5.216 515 HB2 GLU 60 2HB GLU 60 12.254 -4.484 -2.392 516 HB3 GLU 60 1HB GLU 60 11.298 -3.796 -3.698 517 HG2 GLU 60 2HG GLU 60 12.441 -6.603 -3.619 518 HG3 GLU 60 1HG GLU 60 10.745 -6.168 -3.416 519 H ASP 61 H ASP 61 15.259 -3.914 -2.458 520 HA ASP 61 HA ASP 61 14.805 -1.227 -1.546 521 HB2 ASP 61 2HB ASP 61 16.197 -3.122 -0.419 522 HB3 ASP 61 1HB ASP 61 17.510 -2.586 -1.464 523 H MET 62 H MET 62 17.405 -2.540 -3.632 524 HA MET 62 HA MET 62 18.383 0.009 -4.443 525 HB2 MET 62 2HB MET 62 19.474 -1.219 -6.296 526 HB3 MET 62 1HB MET 62 19.690 -2.053 -4.758 527 HG2 MET 62 2HG MET 62 19.058 -3.807 -6.187 528 HG3 MET 62 1HG MET 62 17.515 -3.358 -5.466 529 HE1 MET 62 3HE MET 62 17.220 -4.360 -9.370 530 HE2 MET 62 1HE MET 62 17.157 -4.990 -7.718 531 HE3 MET 62 2HE MET 62 18.711 -4.676 -8.485 532 H LEU 63 H LEU 63 15.789 -2.067 -5.659 533 HA LEU 63 HA LEU 63 15.348 -0.389 -8.035 534 HB2 LEU 63 2HB LEU 63 14.665 -2.934 -7.496 535 HB3 LEU 63 1HB LEU 63 13.174 -2.178 -6.955 536 HG LEU 63 HG LEU 63 14.442 -1.963 -9.706 537 HD11 LEU 63 1HD1 LEU 63 11.770 -3.099 -8.835 538 HD12 LEU 63 2HD1 LEU 63 13.210 -4.074 -9.127 539 HD13 LEU 63 3HD1 LEU 63 12.475 -3.169 -10.450 540 HD21 LEU 63 3HD2 LEU 63 12.119 -0.492 -8.438 541 HD22 LEU 63 1HD2 LEU 63 12.198 -0.736 -10.184 542 HD23 LEU 63 2HD2 LEU 63 13.466 0.169 -9.366 543 H LEU 64 H LEU 64 14.211 -0.506 -4.732 544 HA LEU 64 HA LEU 64 11.975 1.315 -5.121 545 HB2 LEU 64 2HB LEU 64 11.905 -0.204 -3.257 546 HB3 LEU 64 1HB LEU 64 13.464 0.349 -2.665 547 HG LEU 64 HG LEU 64 11.357 2.470 -2.937 548 HD11 LEU 64 1HD1 LEU 64 10.057 0.563 -2.019 549 HD12 LEU 64 2HD1 LEU 64 10.252 1.852 -0.838 550 HD13 LEU 64 3HD1 LEU 64 11.238 0.398 -0.722 551 HD21 LEU 64 3HD2 LEU 64 12.291 3.138 -0.710 552 HD22 LEU 64 1HD2 LEU 64 13.537 3.038 -1.948 553 HD23 LEU 64 2HD2 LEU 64 13.365 1.744 -0.768 554 H ASP 65 H ASP 65 15.320 1.620 -3.932 555 HA ASP 65 HA ASP 65 15.318 4.300 -3.139 556 HB2 ASP 65 2HB ASP 65 17.268 2.681 -3.074 557 HB3 ASP 65 1HB ASP 65 17.523 3.034 -4.783 558 H GLN 66 H GLN 66 15.264 2.974 -6.400 559 HA GLN 66 HA GLN 66 15.738 5.558 -7.679 560 HB2 GLN 66 2HB GLN 66 14.731 2.923 -8.785 561 HB3 GLN 66 1HB GLN 66 15.139 4.331 -9.766 562 HG2 GLN 66 2HG GLN 66 17.447 4.275 -8.910 563 HG3 GLN 66 1HG GLN 66 17.046 2.879 -7.908 564 HE21 GLN 66 1HE2 GLN 66 18.047 3.855 -11.070 565 HE22 GLN 66 2HE2 GLN 66 17.939 2.332 -11.811 566 H LYS 67 H LYS 67 12.880 3.518 -7.081 567 HA LYS 67 HA LYS 67 11.084 5.405 -8.403 568 HB2 LYS 67 2HB LYS 67 10.609 3.006 -6.614 569 HB3 LYS 67 1HB LYS 67 9.303 3.952 -7.330 570 HG2 LYS 67 2HG LYS 67 10.219 3.501 -9.584 571 HG3 LYS 67 1HG LYS 67 11.498 2.525 -8.859 572 HD2 LYS 67 2HD LYS 67 9.916 0.917 -8.029 573 HD3 LYS 67 1HD LYS 67 8.553 1.956 -8.448 574 HE2 LYS 67 2HE LYS 67 10.498 0.891 -10.510 575 HE3 LYS 67 1HE LYS 67 9.004 0.059 -10.079 576 HZ1 LYS 67 3HZ LYS 67 8.461 1.388 -11.904 577 HZ2 LYS 67 1HZ LYS 67 9.324 2.725 -11.318 578 HZ3 LYS 67 2HZ LYS 67 7.874 2.255 -10.567 579 H TYR 68 H TYR 68 11.548 4.442 -4.997 580 HA TYR 68 HA TYR 68 9.810 6.305 -3.803 581 HB2 TYR 68 2HB TYR 68 10.713 4.676 -2.349 582 HB3 TYR 68 1HB TYR 68 12.359 4.965 -2.902 583 HD1 TYR 68 2HD TYR 68 13.558 7.053 -2.234 584 HD2 TYR 68 1HD TYR 68 9.762 5.964 -0.545 585 HE1 TYR 68 2HE TYR 68 13.928 8.649 -0.378 586 HE2 TYR 68 1HE TYR 68 10.132 7.561 1.311 587 HH TYR 68 HH TYR 68 11.609 9.801 1.545 588 H ALA 69 H ALA 69 13.189 6.707 -4.803 589 HA ALA 69 HA ALA 69 13.687 9.277 -3.784 590 HB1 ALA 69 1HB ALA 69 15.510 8.143 -4.799 591 HB2 ALA 69 2HB ALA 69 15.183 9.489 -5.888 592 HB3 ALA 69 3HB ALA 69 14.615 7.868 -6.293 593 H GLU 70 H GLU 70 11.732 8.281 -6.520 594 HA GLU 70 HA GLU 70 11.354 11.069 -7.443 595 HB2 GLU 70 2HB GLU 70 10.419 8.367 -8.439 596 HB3 GLU 70 1HB GLU 70 9.871 9.885 -9.152 597 HG2 GLU 70 2HG GLU 70 12.129 10.498 -9.754 598 HG3 GLU 70 1HG GLU 70 12.790 9.130 -8.856 599 H TYR 71 H TYR 71 9.223 8.348 -6.477 600 HA TYR 71 HA TYR 71 6.975 10.147 -6.074 601 HB2 TYR 71 2HB TYR 71 7.165 7.289 -5.130 602 HB3 TYR 71 1HB TYR 71 5.717 8.205 -5.548 603 HD1 TYR 71 2HD TYR 71 5.498 9.080 -7.965 604 HD2 TYR 71 1HD TYR 71 8.258 6.003 -6.800 605 HE1 TYR 71 2HE TYR 71 5.675 8.344 -10.325 606 HE2 TYR 71 1HE TYR 71 8.435 5.266 -9.160 607 HH TYR 71 HH TYR 71 7.770 5.605 -11.245 608 H GLY 72 H GLY 72 9.160 8.367 -3.912 609 HA2 GLY 72 2HA GLY 72 9.840 9.183 -1.745 610 HA3 GLY 72 1HA GLY 72 8.459 10.284 -1.745 611 HA PRO 73 HA PRO 73 7.395 6.692 0.985 612 HB2 PRO 73 2HB PRO 73 5.746 8.772 2.348 613 HB3 PRO 73 1HB PRO 73 6.899 7.617 3.048 614 HG2 PRO 73 2HG PRO 73 7.493 10.226 2.821 615 HG3 PRO 73 1HG PRO 73 8.727 8.970 2.605 616 HD2 PRO 73 2HD PRO 73 7.289 10.576 0.499 617 HD3 PRO 73 1HD PRO 73 8.993 10.068 0.556 618 H LYS 74 H LYS 74 5.991 7.844 -1.569 619 HA LYS 74 HA LYS 74 3.148 7.475 -0.912 620 HB2 LYS 74 2HB LYS 74 4.573 7.666 -3.577 621 HB3 LYS 74 1HB LYS 74 2.827 7.702 -3.351 622 HG2 LYS 74 2HG LYS 74 3.058 9.734 -1.953 623 HG3 LYS 74 1HG LYS 74 4.801 9.709 -2.222 624 HD2 LYS 74 2HD LYS 74 4.522 10.073 -4.585 625 HD3 LYS 74 1HD LYS 74 2.777 9.837 -4.470 626 HE2 LYS 74 2HE LYS 74 4.253 12.044 -3.015 627 HE3 LYS 74 1HE LYS 74 3.504 12.258 -4.597 628 HZ1 LYS 74 3HZ LYS 74 2.014 12.936 -2.829 629 HZ2 LYS 74 1HZ LYS 74 2.113 11.401 -2.116 630 HZ3 LYS 74 2HZ LYS 74 1.388 11.583 -3.642 631 H TRP 75 H TRP 75 3.919 5.270 0.068 632 HA TRP 75 HA TRP 75 4.745 3.120 -1.516 633 HB2 TRP 75 2HB TRP 75 2.694 2.706 0.646 634 HB3 TRP 75 1HB TRP 75 4.099 1.719 0.245 635 HD1 TRP 75 HD TRP 75 3.011 3.959 2.803 636 HE1 TRP 75 1HE TRP 75 4.987 5.010 4.078 637 HE3 TRP 75 3HE TRP 75 6.829 2.981 -0.460 638 HZ2 TRP 75 2HZ TRP 75 7.789 5.395 3.771 639 HZ3 TRP 75 3HZ TRP 75 9.134 3.710 0.064 640 HH2 TRP 75 HH TRP 75 9.621 4.915 2.169 641 H ASN 76 H ASN 76 1.935 4.904 -1.779 642 HA ASN 76 HA ASN 76 0.104 2.860 -2.689 643 HB2 ASN 76 2HB ASN 76 0.221 5.866 -3.053 644 HB3 ASN 76 1HB ASN 76 -1.076 4.882 -3.730 645 HD21 ASN 76 1HD2 ASN 76 0.291 3.779 -0.718 646 HD22 ASN 76 2HD2 ASN 76 -0.990 4.275 0.278 647 H LYS 77 H LYS 77 2.544 4.900 -4.200 648 HA LYS 77 HA LYS 77 1.868 3.975 -6.916 649 HB2 LYS 77 2HB LYS 77 2.799 6.294 -6.293 650 HB3 LYS 77 1HB LYS 77 4.344 5.489 -6.041 651 HG2 LYS 77 2HG LYS 77 4.563 6.110 -8.286 652 HG3 LYS 77 1HG LYS 77 3.887 4.495 -8.465 653 HD2 LYS 77 2HD LYS 77 2.487 5.718 -9.889 654 HD3 LYS 77 1HD LYS 77 1.558 5.775 -8.395 655 HE2 LYS 77 2HE LYS 77 2.486 7.997 -7.882 656 HE3 LYS 77 1HE LYS 77 3.476 7.932 -9.340 657 HZ1 LYS 77 3HZ LYS 77 0.516 7.985 -9.177 658 HZ2 LYS 77 1HZ LYS 77 1.369 7.671 -10.608 659 HZ3 LYS 77 2HZ LYS 77 1.536 9.175 -9.834 660 H ILE 78 H ILE 78 4.299 3.448 -4.416 661 HA ILE 78 HA ILE 78 5.994 1.731 -5.977 662 HB ILE 78 HB ILE 78 5.649 1.592 -2.977 663 HG12 ILE 78 2HG1 ILE 78 5.777 3.953 -3.448 664 HG13 ILE 78 1HG1 ILE 78 7.371 3.446 -2.902 665 HG21 ILE 78 1HG2 ILE 78 7.950 0.958 -2.973 666 HG22 ILE 78 2HG2 ILE 78 8.157 1.423 -4.661 667 HG23 ILE 78 3HG2 ILE 78 7.188 0.008 -4.247 668 HD11 ILE 78 3HD1 ILE 78 7.951 3.160 -5.386 669 HD12 ILE 78 1HD1 ILE 78 7.761 4.814 -4.806 670 HD13 ILE 78 2HD1 ILE 78 6.464 4.046 -5.721 671 H SER 79 H SER 79 3.533 0.988 -3.470 672 HA SER 79 HA SER 79 3.573 -1.806 -3.640 673 HB2 SER 79 2HB SER 79 1.046 -0.152 -3.442 674 HB3 SER 79 1HB SER 79 1.281 -1.802 -2.872 675 HG SER 79 HG SER 79 1.867 0.537 -1.665 676 H LYS 80 H LYS 80 2.413 0.451 -6.028 677 HA LYS 80 HA LYS 80 0.882 -1.558 -7.519 678 HB2 LYS 80 2HB LYS 80 1.767 1.273 -8.151 679 HB3 LYS 80 1HB LYS 80 0.883 0.268 -9.301 680 HG2 LYS 80 2HG LYS 80 -0.987 0.058 -7.772 681 HG3 LYS 80 1HG LYS 80 -0.090 0.877 -6.497 682 HD2 LYS 80 2HD LYS 80 -1.606 2.483 -7.487 683 HD3 LYS 80 1HD LYS 80 0.033 2.911 -7.966 684 HE2 LYS 80 2HE LYS 80 -0.278 2.117 -10.174 685 HE3 LYS 80 1HE LYS 80 -1.689 1.158 -9.728 686 HZ1 LYS 80 3HZ LYS 80 -3.028 2.898 -9.976 687 HZ2 LYS 80 1HZ LYS 80 -1.745 3.647 -10.795 688 HZ3 LYS 80 2HZ LYS 80 -1.987 3.949 -9.141 689 H PHE 81 H PHE 81 4.163 -0.515 -7.303 690 HA PHE 81 HA PHE 81 4.902 -1.671 -9.929 691 HB2 PHE 81 2HB PHE 81 6.333 -0.147 -7.750 692 HB3 PHE 81 1HB PHE 81 7.279 -1.076 -8.909 693 HD1 PHE 81 2HD PHE 81 6.546 -0.751 -11.451 694 HD2 PHE 81 1HD PHE 81 5.825 2.094 -8.312 695 HE1 PHE 81 2HE PHE 81 6.319 1.054 -13.136 696 HE2 PHE 81 1HE PHE 81 5.600 3.897 -9.998 697 HZ PHE 81 HZ PHE 81 5.846 3.377 -12.409 698 H LEU 82 H LEU 82 4.304 -2.676 -6.812 699 HA LEU 82 HA LEU 82 6.150 -5.037 -6.949 700 HB2 LEU 82 2HB LEU 82 4.697 -3.585 -4.738 701 HB3 LEU 82 1HB LEU 82 5.236 -5.242 -4.500 702 HG LEU 82 HG LEU 82 7.527 -4.661 -4.683 703 HD11 LEU 82 1HD1 LEU 82 6.583 -2.062 -5.911 704 HD12 LEU 82 2HD1 LEU 82 7.596 -3.290 -6.658 705 HD13 LEU 82 3HD1 LEU 82 8.233 -2.303 -5.351 706 HD21 LEU 82 3HD2 LEU 82 6.309 -2.207 -3.389 707 HD22 LEU 82 1HD2 LEU 82 7.839 -2.986 -2.989 708 HD23 LEU 82 2HD2 LEU 82 6.319 -3.789 -2.629 709 H LYS 83 H LYS 83 2.899 -4.463 -5.588 710 HA LYS 83 HA LYS 83 0.867 -5.543 -6.001 711 HB2 LYS 83 2HB LYS 83 1.979 -5.704 -8.450 712 HB3 LYS 83 1HB LYS 83 2.074 -7.408 -8.034 713 HG2 LYS 83 2HG LYS 83 -0.066 -7.512 -8.869 714 HG3 LYS 83 1HG LYS 83 -0.539 -6.863 -7.307 715 HD2 LYS 83 2HD LYS 83 0.078 -5.200 -9.775 716 HD3 LYS 83 1HD LYS 83 -1.539 -5.602 -9.204 717 HE2 LYS 83 2HE LYS 83 0.537 -3.972 -7.711 718 HE3 LYS 83 1HE LYS 83 -0.946 -3.364 -8.441 719 HZ1 LYS 83 3HZ LYS 83 -2.019 -3.859 -6.590 720 HZ2 LYS 83 1HZ LYS 83 -0.600 -4.466 -5.890 721 HZ3 LYS 83 2HZ LYS 83 -1.620 -5.499 -6.772 722 H ASN 84 H ASN 84 3.551 -6.638 -4.672 723 HA ASN 84 HA ASN 84 2.362 -9.277 -3.879 724 HB2 ASN 84 2HB ASN 84 5.265 -8.501 -4.266 725 HB3 ASN 84 1HB ASN 84 4.750 -9.985 -3.465 726 HD21 ASN 84 1HD2 ASN 84 3.876 -8.230 -6.510 727 HD22 ASN 84 2HD2 ASN 84 3.884 -9.624 -7.480 728 H ARG 85 H ARG 85 3.710 -6.236 -2.928 729 HA ARG 85 HA ARG 85 3.635 -7.054 -0.029 730 HB2 ARG 85 2HB ARG 85 4.920 -4.494 -0.953 731 HB3 ARG 85 1HB ARG 85 5.325 -5.508 0.424 732 HG2 ARG 85 2HG ARG 85 5.832 -6.269 -2.475 733 HG3 ARG 85 1HG ARG 85 7.039 -5.621 -1.382 734 HD2 ARG 85 2HD ARG 85 6.736 -7.529 0.127 735 HD3 ARG 85 1HD ARG 85 5.497 -8.189 -0.939 736 HE ARG 85 HE ARG 85 7.678 -7.902 -2.606 737 HH11 ARG 85 1HH2 ARG 85 7.089 -9.348 0.468 738 HH12 ARG 85 2HH2 ARG 85 8.275 -10.592 0.258 739 HH21 ARG 85 1HH1 ARG 85 9.231 -9.517 -2.896 740 HH22 ARG 85 2HH1 ARG 85 9.489 -10.688 -1.647 741 H SER 86 H SER 86 3.116 -4.976 1.329 742 HA SER 86 HA SER 86 0.742 -3.586 0.144 743 HB2 SER 86 2HB SER 86 -0.055 -3.633 2.632 744 HB3 SER 86 1HB SER 86 -0.219 -5.104 1.680 745 HG SER 86 HG SER 86 1.923 -5.650 2.550 746 H ASP 87 H ASP 87 0.424 -1.463 0.964 747 HA ASP 87 HA ASP 87 2.743 0.096 1.233 748 HB2 ASP 87 2HB ASP 87 1.142 1.853 2.206 749 HB3 ASP 87 1HB ASP 87 0.731 1.221 0.611 750 H ASN 88 H ASN 88 0.884 -1.617 3.618 751 HA ASN 88 HA ASN 88 2.141 -0.338 5.919 752 HB2 ASN 88 2HB ASN 88 0.484 -2.852 5.568 753 HB3 ASN 88 1HB ASN 88 1.163 -2.384 7.128 754 HD21 ASN 88 1HD2 ASN 88 -0.344 -1.273 8.362 755 HD22 ASN 88 2HD2 ASN 88 -1.513 -0.202 7.753 756 H ASN 89 H ASN 89 2.846 -3.022 3.783 757 HA ASN 89 HA ASN 89 4.910 -4.155 5.543 758 HB2 ASN 89 2HB ASN 89 3.527 -5.480 3.868 759 HB3 ASN 89 1HB ASN 89 4.447 -4.683 2.592 760 HD21 ASN 89 1HD2 ASN 89 5.631 -6.555 1.894 761 HD22 ASN 89 2HD2 ASN 89 6.762 -7.343 2.883 762 H ILE 90 H ILE 90 4.674 -2.042 2.741 763 HA ILE 90 HA ILE 90 7.530 -1.881 2.280 764 HB ILE 90 HB ILE 90 5.277 -0.034 1.420 765 HG12 ILE 90 2HG1 ILE 90 6.643 -2.294 -0.068 766 HG13 ILE 90 1HG1 ILE 90 5.082 -2.445 0.730 767 HG21 ILE 90 1HG2 ILE 90 8.108 -0.388 0.375 768 HG22 ILE 90 2HG2 ILE 90 7.495 1.027 1.224 769 HG23 ILE 90 3HG2 ILE 90 6.873 0.623 -0.373 770 HD11 ILE 90 3HD1 ILE 90 4.583 -1.976 -1.543 771 HD12 ILE 90 1HD1 ILE 90 5.797 -0.701 -1.628 772 HD13 ILE 90 2HD1 ILE 90 4.324 -0.456 -0.691 773 H ARG 91 H ARG 91 5.134 0.306 3.767 774 HA ARG 91 HA ARG 91 6.986 2.307 4.615 775 HB2 ARG 91 2HB ARG 91 4.587 2.721 4.678 776 HB3 ARG 91 1HB ARG 91 4.341 1.391 5.790 777 HG2 ARG 91 2HG ARG 91 4.308 3.644 6.897 778 HG3 ARG 91 1HG ARG 91 5.528 2.563 7.557 779 HD2 ARG 91 2HD ARG 91 7.296 3.724 6.488 780 HD3 ARG 91 1HD ARG 91 6.211 4.505 5.343 781 HE ARG 91 HE ARG 91 5.433 5.369 7.913 782 HH11 ARG 91 1HH2 ARG 91 8.154 5.463 5.796 783 HH12 ARG 91 2HH2 ARG 91 8.734 6.982 6.394 784 HH21 ARG 91 1HH1 ARG 91 6.174 7.352 8.704 785 HH22 ARG 91 2HH1 ARG 91 7.613 8.051 8.039 786 H ASN 92 H ASN 92 6.012 -0.776 5.930 787 HA ASN 92 HA ASN 92 7.324 -0.397 8.508 788 HB2 ASN 92 2HB ASN 92 5.454 -1.951 8.317 789 HB3 ASN 92 1HB ASN 92 6.332 -2.905 7.121 790 HD21 ASN 92 1HD2 ASN 92 8.307 -4.064 7.897 791 HD22 ASN 92 2HD2 ASN 92 8.462 -4.451 9.543 792 H ARG 93 H ARG 93 8.173 -2.044 5.454 793 HA ARG 93 HA ARG 93 10.702 -3.006 6.556 794 HB2 ARG 93 2HB ARG 93 9.544 -4.188 4.730 795 HB3 ARG 93 1HB ARG 93 9.795 -2.800 3.675 796 HG2 ARG 93 2HG ARG 93 12.092 -3.190 3.465 797 HG3 ARG 93 1HG ARG 93 12.214 -3.982 5.033 798 HD2 ARG 93 2HD ARG 93 11.294 -6.001 4.209 799 HD3 ARG 93 1HD ARG 93 10.702 -5.238 2.739 800 HE ARG 93 HE ARG 93 12.857 -5.500 1.803 801 HH11 ARG 93 1HH2 ARG 93 12.871 -5.844 5.234 802 HH12 ARG 93 2HH2 ARG 93 14.528 -6.342 5.311 803 HH21 ARG 93 1HH1 ARG 93 15.023 -6.145 1.886 804 HH22 ARG 93 2HH1 ARG 93 15.746 -6.512 3.417 805 H TRP 94 H TRP 94 9.740 -0.313 4.440 806 HA TRP 94 HA TRP 94 12.411 0.629 3.966 807 HB2 TRP 94 2HB TRP 94 10.458 1.323 2.591 808 HB3 TRP 94 1HB TRP 94 9.817 2.205 3.978 809 HD1 TRP 94 HD TRP 94 12.686 2.252 1.455 810 HE1 TRP 94 1HE TRP 94 13.767 4.592 1.472 811 HE3 TRP 94 3HE TRP 94 10.210 4.338 5.404 812 HZ2 TRP 94 2HZ TRP 94 13.604 7.027 2.966 813 HZ3 TRP 94 3HZ TRP 94 10.693 6.665 6.102 814 HH2 TRP 94 HH TRP 94 12.385 8.012 4.889 815 H MET 95 H MET 95 10.077 1.123 6.554 816 HA MET 95 HA MET 95 11.504 3.328 7.783 817 HB2 MET 95 2HB MET 95 9.128 2.957 8.266 818 HB3 MET 95 1HB MET 95 9.494 1.369 8.942 819 HG2 MET 95 2HG MET 95 10.713 2.332 10.770 820 HG3 MET 95 1HG MET 95 10.701 3.928 10.021 821 HE1 MET 95 3HE MET 95 8.451 4.638 13.017 822 HE2 MET 95 1HE MET 95 9.780 5.192 11.989 823 HE3 MET 95 2HE MET 95 9.941 3.703 12.918 824 H MET 96 H MET 96 11.707 -0.165 7.912 825 HA MET 96 HA MET 96 13.439 -0.205 10.275 826 HB2 MET 96 2HB MET 96 11.924 -2.116 9.594 827 HB3 MET 96 1HB MET 96 12.995 -2.391 8.219 828 HG2 MET 96 2HG MET 96 14.876 -2.809 9.699 829 HG3 MET 96 1HG MET 96 13.907 -2.381 11.109 830 HE1 MET 96 3HE MET 96 14.089 -6.012 11.947 831 HE2 MET 96 1HE MET 96 13.573 -4.459 12.618 832 HE3 MET 96 2HE MET 96 15.122 -4.594 11.790 833 H ILE 97 H ILE 97 13.762 -0.239 6.767 834 HA ILE 97 HA ILE 97 16.673 -0.627 6.881 835 HB ILE 97 HB ILE 97 14.844 0.086 4.567 836 HG12 ILE 97 2HG1 ILE 97 16.154 -2.569 5.224 837 HG13 ILE 97 1HG1 ILE 97 14.503 -2.169 5.700 838 HG21 ILE 97 1HG2 ILE 97 16.834 -0.752 3.222 839 HG22 ILE 97 2HG2 ILE 97 17.771 -0.683 4.714 840 HG23 ILE 97 3HG2 ILE 97 17.081 0.792 4.038 841 HD11 ILE 97 3HD1 ILE 97 14.456 -3.392 3.590 842 HD12 ILE 97 1HD1 ILE 97 15.585 -2.246 2.869 843 HD13 ILE 97 2HD1 ILE 97 13.958 -1.726 3.307 844 H ALA 98 H ALA 98 14.348 1.989 6.512 845 HA ALA 98 HA ALA 98 16.338 3.982 5.785 846 HB1 ALA 98 1HB ALA 98 13.540 4.319 6.912 847 HB2 ALA 98 2HB ALA 98 13.961 4.278 5.199 848 HB3 ALA 98 3HB ALA 98 14.524 5.605 6.214 849 H ARG 99 H ARG 99 15.355 2.478 8.704 850 HA ARG 99 HA ARG 99 16.031 4.650 10.495 851 HB2 ARG 99 2HB ARG 99 14.535 2.812 11.196 852 HB3 ARG 99 1HB ARG 99 15.860 1.663 11.011 853 HG2 ARG 99 2HG ARG 99 17.120 2.711 12.774 854 HG3 ARG 99 1HG ARG 99 15.992 4.064 12.851 855 HD2 ARG 99 2HD ARG 99 14.189 2.471 13.523 856 HD3 ARG 99 1HD ARG 99 15.389 1.178 13.556 857 HE ARG 99 HE ARG 99 15.026 3.203 15.599 858 HH11 ARG 99 1HH2 ARG 99 17.297 1.219 13.924 859 HH12 ARG 99 2HH2 ARG 99 18.430 1.181 15.233 860 HH21 ARG 99 1HH1 ARG 99 16.494 3.163 17.318 861 HH22 ARG 99 2HH1 ARG 99 17.976 2.281 17.154 862 H HIS 100 H HIS 100 17.783 2.273 8.721 863 HA HIS 100 HA HIS 100 20.179 2.430 10.417 864 HB2 HIS 100 2HB HIS 100 19.500 0.344 9.161 865 HB3 HIS 100 1HB HIS 100 19.888 1.194 7.666 866 HD1 HIS 100 1HD HIS 100 21.837 1.331 10.928 867 HD2 HIS 100 2HD HIS 100 22.312 -0.026 7.012 868 HE1 HIS 100 1HE HIS 100 24.254 0.596 10.711 869 HE2 HIS 100 2HE HIS 100 24.553 -0.230 8.332 870 H ARG 101 H ARG 101 18.998 3.683 7.330 871 HA ARG 101 HA ARG 101 21.538 5.015 6.717 872 HB2 ARG 101 2HB ARG 101 18.786 5.121 5.454 873 HB3 ARG 101 1HB ARG 101 20.160 6.054 4.859 874 HG2 ARG 101 2HG ARG 101 21.422 4.036 4.418 875 HG3 ARG 101 1HG ARG 101 20.186 3.042 5.192 876 HD2 ARG 101 2HD ARG 101 18.587 3.544 3.466 877 HD3 ARG 101 1HD ARG 101 19.638 4.779 2.773 878 HE ARG 101 HE ARG 101 20.771 3.062 1.630 879 HH11 ARG 101 1HH2 ARG 101 19.045 1.860 4.363 880 HH12 ARG 101 2HH2 ARG 101 19.400 0.200 4.024 881 HH21 ARG 101 1HH1 ARG 101 21.243 0.900 1.172 882 HH22 ARG 101 2HH1 ARG 101 20.645 -0.344 2.218 883 H ALA 102 H ALA 102 18.734 5.684 8.570 884 HA ALA 102 HA ALA 102 18.829 8.583 8.352 885 HB1 ALA 102 1HB ALA 102 17.300 8.513 10.319 886 HB2 ALA 102 2HB ALA 102 17.554 6.771 10.425 887 HB3 ALA 102 3HB ALA 102 16.756 7.462 9.012 888 H LYS 103 H LYS 103 20.734 6.265 9.962 889 HA LYS 103 HA LYS 103 21.523 8.034 12.187 890 HB2 LYS 103 2HB LYS 103 22.375 5.281 11.257 891 HB3 LYS 103 1HB LYS 103 23.176 6.118 12.586 892 HG2 LYS 103 2HG LYS 103 21.011 6.300 13.771 893 HG3 LYS 103 1HG LYS 103 20.223 5.439 12.447 894 HD2 LYS 103 2HD LYS 103 21.519 3.448 12.874 895 HD3 LYS 103 1HD LYS 103 22.530 4.296 14.044 896 HE2 LYS 103 2HE LYS 103 19.538 3.953 14.362 897 HE3 LYS 103 1HE LYS 103 20.725 2.864 15.079 898 HZ1 LYS 103 3HZ LYS 103 21.404 4.421 16.558 899 HZ2 LYS 103 1HZ LYS 103 19.812 4.969 16.352 900 HZ3 LYS 103 2HZ LYS 103 21.084 5.727 15.521 901 H HIS 104 H HIS 104 22.829 6.817 9.119 902 HA HIS 104 HA HIS 104 25.405 8.104 9.454 903 HB2 HIS 104 2HB HIS 104 23.986 6.997 7.015 904 HB3 HIS 104 1HB HIS 104 25.638 7.617 6.991 905 HD1 HIS 104 1HD HIS 104 27.303 5.786 7.205 906 HD2 HIS 104 2HD HIS 104 23.830 4.938 9.355 907 HE1 HIS 104 1HE HIS 104 27.669 3.529 8.300 908 HE2 HIS 104 2HE HIS 104 25.561 3.004 9.609 909 H GLN 105 H GLN 105 22.275 9.141 8.427 910 HA GLN 105 HA GLN 105 22.922 11.272 6.681 911 HB2 GLN 105 2HB GLN 105 20.603 10.470 7.206 912 HB3 GLN 105 1HB GLN 105 20.729 11.265 8.776 913 HG2 GLN 105 2HG GLN 105 21.059 13.432 7.686 914 HG3 GLN 105 1HG GLN 105 21.025 12.662 6.100 915 HE21 GLN 105 1HE2 GLN 105 19.111 14.333 5.929 916 HE22 GLN 105 2HE2 GLN 105 17.581 13.763 6.395 917 H LYS 106 H LYS 106 23.291 10.977 10.145 918 HA LYS 106 HA LYS 106 23.452 13.708 10.876 919 HB2 LYS 106 2HB LYS 106 24.942 11.290 11.935 920 HB3 LYS 106 1HB LYS 106 24.998 12.880 12.699 921 HG2 LYS 106 2HG LYS 106 22.576 12.855 13.016 922 HG3 LYS 106 1HG LYS 106 22.457 11.315 12.164 923 HD2 LYS 106 2HD LYS 106 23.753 10.196 13.883 924 HD3 LYS 106 1HD LYS 106 24.070 11.730 14.695 925 HE2 LYS 106 2HE LYS 106 21.645 12.011 15.101 926 HE3 LYS 106 1HE LYS 106 21.342 10.460 14.317 927 HZ1 LYS 106 3HZ LYS 106 21.600 10.585 16.879 928 HZ2 LYS 106 1HZ LYS 106 23.261 10.609 16.539 929 HZ3 LYS 106 2HZ LYS 106 22.309 9.299 16.023 930 H SER 107 H SER 107 25.439 11.931 8.763 931 HA SER 107 HA SER 107 27.950 13.272 9.238 932 HB2 SER 107 2HB SER 107 28.659 12.300 7.159 933 HB3 SER 107 1HB SER 107 27.614 11.115 7.937 934 HG SER 107 HG SER 107 26.948 11.322 5.828 Start of MODEL 16 1 H1 LYS 1 1HT LYS 1 0.438 5.784 1.770 2 H2 LYS 1 2HT LYS 1 0.801 7.444 1.751 3 H3 LYS 1 3HT LYS 1 0.055 6.719 0.408 4 HA LYS 1 HA LYS 1 -1.527 6.200 2.658 5 HB2 LYS 1 2HB LYS 1 -0.287 8.243 3.524 6 HB3 LYS 1 1HB LYS 1 -1.011 9.150 2.198 7 HG2 LYS 1 2HG LYS 1 -3.235 8.731 3.018 8 HG3 LYS 1 1HG LYS 1 -2.641 7.575 4.210 9 HD2 LYS 1 2HD LYS 1 -1.445 9.352 5.386 10 HD3 LYS 1 1HD LYS 1 -1.933 10.522 4.160 11 HE2 LYS 1 2HE LYS 1 -3.884 8.941 5.856 12 HE3 LYS 1 1HE LYS 1 -3.356 10.582 6.232 13 HZ1 LYS 1 2HZ LYS 1 -4.082 10.707 3.612 14 HZ2 LYS 1 3HZ LYS 1 -5.017 11.235 4.929 15 HZ3 LYS 1 1HZ LYS 1 -5.256 9.683 4.291 16 H VAL 2 H VAL 2 -3.762 6.966 2.141 17 HA VAL 2 HA VAL 2 -4.154 7.713 -0.735 18 HB VAL 2 HB VAL 2 -4.393 5.272 -0.520 19 HG11 VAL 2 1HG1 VAL 2 -5.898 4.237 0.990 20 HG12 VAL 2 2HG1 VAL 2 -6.687 5.761 1.390 21 HG13 VAL 2 3HG1 VAL 2 -5.052 5.435 1.962 22 HG21 VAL 2 3HG2 VAL 2 -6.455 5.081 -1.658 23 HG22 VAL 2 1HG2 VAL 2 -5.990 6.755 -1.954 24 HG23 VAL 2 2HG2 VAL 2 -7.203 6.377 -0.729 25 H LYS 3 H LYS 3 -6.594 8.286 -1.032 26 HA LYS 3 HA LYS 3 -7.241 10.542 0.458 27 HB2 LYS 3 2HB LYS 3 -9.369 8.701 -0.658 28 HB3 LYS 3 1HB LYS 3 -9.414 10.457 -0.517 29 HG2 LYS 3 2HG LYS 3 -7.668 8.821 -2.379 30 HG3 LYS 3 1HG LYS 3 -8.982 9.904 -2.831 31 HD2 LYS 3 2HD LYS 3 -7.626 11.768 -1.678 32 HD3 LYS 3 1HD LYS 3 -6.277 10.633 -1.687 33 HE2 LYS 3 2HE LYS 3 -7.822 11.509 -4.145 34 HE3 LYS 3 1HE LYS 3 -6.240 12.125 -3.670 35 HZ1 LYS 3 3HZ LYS 3 -5.255 10.048 -4.005 36 HZ2 LYS 3 1HZ LYS 3 -6.281 10.244 -5.341 37 HZ3 LYS 3 2HZ LYS 3 -6.747 9.236 -4.054 38 H PHE 4 H PHE 4 -8.528 7.236 1.027 39 HA PHE 4 HA PHE 4 -9.800 8.143 3.510 40 HB2 PHE 4 2HB PHE 4 -10.325 5.678 3.767 41 HB3 PHE 4 1HB PHE 4 -11.018 6.464 2.371 42 HD1 PHE 4 2HD PHE 4 -9.997 6.179 0.142 43 HD2 PHE 4 1HD PHE 4 -8.704 3.884 3.531 44 HE1 PHE 4 2HE PHE 4 -8.942 4.533 -1.378 45 HE2 PHE 4 1HE PHE 4 -7.659 2.229 2.008 46 HZ PHE 4 HZ PHE 4 -7.783 2.554 -0.453 47 H THR 5 H THR 5 -9.329 7.088 5.603 48 HA THR 5 HA THR 5 -6.409 6.989 6.039 49 HB THR 5 HB THR 5 -7.637 8.325 7.611 50 HG1 THR 5 1HG THR 5 -6.674 7.502 9.303 51 HG21 THR 5 3HG2 THR 5 -9.845 7.359 7.343 52 HG22 THR 5 1HG2 THR 5 -9.393 7.276 9.045 53 HG23 THR 5 2HG2 THR 5 -9.298 5.834 8.037 54 H GLU 6 H GLU 6 -5.500 5.319 7.396 55 HA GLU 6 HA GLU 6 -5.808 2.724 6.411 56 HB2 GLU 6 2HB GLU 6 -4.627 1.958 8.451 57 HB3 GLU 6 1HB GLU 6 -3.880 3.404 7.773 58 HG2 GLU 6 2HG GLU 6 -5.313 4.752 9.400 59 HG3 GLU 6 1HG GLU 6 -5.709 3.220 10.180 60 H GLU 7 H GLU 7 -7.454 4.187 9.222 61 HA GLU 7 HA GLU 7 -8.741 1.942 10.276 62 HB2 GLU 7 2HB GLU 7 -10.138 4.595 9.867 63 HB3 GLU 7 1HB GLU 7 -10.403 3.423 11.157 64 HG2 GLU 7 2HG GLU 7 -7.998 3.791 11.857 65 HG3 GLU 7 1HG GLU 7 -7.944 5.131 10.712 66 H GLU 8 H GLU 8 -9.645 3.812 7.383 67 HA GLU 8 HA GLU 8 -12.096 2.371 6.929 68 HB2 GLU 8 2HB GLU 8 -10.290 4.050 5.236 69 HB3 GLU 8 1HB GLU 8 -11.709 3.282 4.536 70 HG2 GLU 8 2HG GLU 8 -11.821 5.066 6.987 71 HG3 GLU 8 1HG GLU 8 -12.073 5.668 5.349 72 H ASP 9 H ASP 9 -8.771 2.063 5.660 73 HA ASP 9 HA ASP 9 -9.097 -0.039 3.844 74 HB2 ASP 9 2HB ASP 9 -6.905 0.959 4.222 75 HB3 ASP 9 1HB ASP 9 -6.859 0.313 5.860 76 H LEU 10 H LEU 10 -9.398 -0.117 7.318 77 HA LEU 10 HA LEU 10 -9.325 -3.031 7.522 78 HB2 LEU 10 2HB LEU 10 -10.720 -1.270 9.547 79 HB3 LEU 10 1HB LEU 10 -9.766 -2.729 9.815 80 HG LEU 10 HG LEU 10 -8.716 -0.021 8.990 81 HD11 LEU 10 1HD1 LEU 10 -9.306 -0.125 11.339 82 HD12 LEU 10 2HD1 LEU 10 -7.551 -0.146 11.177 83 HD13 LEU 10 3HD1 LEU 10 -8.423 -1.641 11.519 84 HD21 LEU 10 3HD2 LEU 10 -7.346 -1.651 7.890 85 HD22 LEU 10 1HD2 LEU 10 -7.346 -2.695 9.311 86 HD23 LEU 10 2HD2 LEU 10 -6.466 -1.168 9.339 87 H LYS 11 H LYS 11 -11.807 -0.494 7.274 88 HA LYS 11 HA LYS 11 -14.073 -2.242 7.488 89 HB2 LYS 11 2HB LYS 11 -13.596 0.480 6.282 90 HB3 LYS 11 1HB LYS 11 -15.095 -0.353 5.880 91 HG2 LYS 11 2HG LYS 11 -15.421 1.094 7.833 92 HG3 LYS 11 1HG LYS 11 -15.594 -0.600 8.292 93 HD2 LYS 11 2HD LYS 11 -13.329 -0.640 9.186 94 HD3 LYS 11 1HD LYS 11 -13.045 1.005 8.616 95 HE2 LYS 11 2HE LYS 11 -13.589 1.018 11.012 96 HE3 LYS 11 1HE LYS 11 -14.859 1.822 10.090 97 HZ1 LYS 11 3HZ LYS 11 -15.564 0.130 11.831 98 HZ2 LYS 11 1HZ LYS 11 -15.011 -1.054 10.750 99 HZ3 LYS 11 2HZ LYS 11 -16.265 -0.005 10.289 100 H LEU 12 H LEU 12 -12.039 -1.271 4.745 101 HA LEU 12 HA LEU 12 -13.467 -2.491 2.645 102 HB2 LEU 12 2HB LEU 12 -10.558 -1.942 3.166 103 HB3 LEU 12 1HB LEU 12 -10.970 -2.960 1.789 104 HG LEU 12 HG LEU 12 -12.468 -1.172 0.940 105 HD11 LEU 12 1HD1 LEU 12 -13.031 -0.096 3.064 106 HD12 LEU 12 2HD1 LEU 12 -12.292 1.082 1.982 107 HD13 LEU 12 3HD1 LEU 12 -11.350 0.378 3.290 108 HD21 LEU 12 3HD2 LEU 12 -9.577 -0.473 1.520 109 HD22 LEU 12 1HD2 LEU 12 -10.590 0.481 0.436 110 HD23 LEU 12 2HD2 LEU 12 -10.238 -1.205 0.058 111 H GLN 13 H GLN 13 -11.008 -3.967 4.815 112 HA GLN 13 HA GLN 13 -11.028 -6.541 3.693 113 HB2 GLN 13 2HB GLN 13 -9.593 -5.727 5.621 114 HB3 GLN 13 1HB GLN 13 -10.985 -5.961 6.672 115 HG2 GLN 13 2HG GLN 13 -9.918 -8.198 4.927 116 HG3 GLN 13 1HG GLN 13 -9.285 -7.896 6.541 117 HE21 GLN 13 1HE2 GLN 13 -11.606 -9.684 4.901 118 HE22 GLN 13 2HE2 GLN 13 -12.672 -9.978 6.189 119 H GLN 14 H GLN 14 -13.360 -5.082 5.954 120 HA GLN 14 HA GLN 14 -14.904 -7.578 6.161 121 HB2 GLN 14 2HB GLN 14 -15.744 -4.789 6.951 122 HB3 GLN 14 1HB GLN 14 -16.438 -6.313 7.505 123 HG2 GLN 14 2HG GLN 14 -14.262 -6.916 8.532 124 HG3 GLN 14 1HG GLN 14 -13.601 -5.364 8.015 125 HE21 GLN 14 1HE2 GLN 14 -14.704 -6.785 10.739 126 HE22 GLN 14 2HE2 GLN 14 -15.431 -5.460 11.510 127 H LEU 15 H LEU 15 -15.739 -4.337 4.836 128 HA LEU 15 HA LEU 15 -18.177 -5.118 3.646 129 HB2 LEU 15 2HB LEU 15 -16.171 -2.944 3.044 130 HB3 LEU 15 1HB LEU 15 -17.534 -3.182 1.953 131 HG LEU 15 HG LEU 15 -19.110 -2.877 3.802 132 HD11 LEU 15 1HD1 LEU 15 -17.878 -3.805 5.654 133 HD12 LEU 15 2HD1 LEU 15 -18.174 -2.108 6.028 134 HD13 LEU 15 3HD1 LEU 15 -16.587 -2.621 5.458 135 HD21 LEU 15 3HD2 LEU 15 -18.738 -0.514 4.186 136 HD22 LEU 15 1HD2 LEU 15 -18.174 -0.891 2.559 137 HD23 LEU 15 2HD2 LEU 15 -17.012 -0.687 3.871 138 H VAL 16 H VAL 16 -14.945 -4.957 2.163 139 HA VAL 16 HA VAL 16 -15.621 -5.996 -0.359 140 HB VAL 16 HB VAL 16 -13.077 -6.568 1.188 141 HG11 VAL 16 1HG1 VAL 16 -13.804 -6.629 -1.745 142 HG12 VAL 16 2HG1 VAL 16 -13.174 -7.946 -0.756 143 HG13 VAL 16 3HG1 VAL 16 -12.137 -6.586 -1.176 144 HG21 VAL 16 3HG2 VAL 16 -13.874 -4.061 0.891 145 HG22 VAL 16 1HG2 VAL 16 -13.436 -4.308 -0.793 146 HG23 VAL 16 2HG2 VAL 16 -12.218 -4.482 0.465 147 H MET 17 H MET 17 -14.994 -7.717 2.725 148 HA MET 17 HA MET 17 -14.974 -10.343 1.637 149 HB2 MET 17 2HB MET 17 -14.488 -9.588 4.047 150 HB3 MET 17 1HB MET 17 -16.228 -9.589 4.293 151 HG2 MET 17 2HG MET 17 -14.717 -11.992 3.245 152 HG3 MET 17 1HG MET 17 -15.011 -11.716 4.958 153 HE1 MET 17 3HE MET 17 -17.460 -14.571 4.019 154 HE2 MET 17 1HE MET 17 -16.411 -13.967 5.309 155 HE3 MET 17 2HE MET 17 -15.760 -14.245 3.695 156 H ARG 18 H ARG 18 -17.643 -8.179 2.528 157 HA ARG 18 HA ARG 18 -19.710 -10.167 2.088 158 HB2 ARG 18 2HB ARG 18 -20.042 -8.134 3.489 159 HB3 ARG 18 1HB ARG 18 -19.923 -7.140 2.036 160 HG2 ARG 18 2HG ARG 18 -21.891 -8.166 1.086 161 HG3 ARG 18 1HG ARG 18 -21.950 -9.365 2.378 162 HD2 ARG 18 2HD ARG 18 -22.476 -7.684 4.020 163 HD3 ARG 18 1HD ARG 18 -22.171 -6.384 2.867 164 HE ARG 18 HE ARG 18 -24.199 -7.974 1.737 165 HH11 ARG 18 1HH2 ARG 18 -23.615 -6.090 4.567 166 HH12 ARG 18 2HH2 ARG 18 -25.277 -5.649 4.777 167 HH21 ARG 18 1HH1 ARG 18 -26.372 -7.409 1.997 168 HH22 ARG 18 2HH1 ARG 18 -26.838 -6.396 3.323 169 H TYR 19 H TYR 19 -18.168 -7.689 0.076 170 HA TYR 19 HA TYR 19 -19.919 -8.374 -2.227 171 HB2 TYR 19 2HB TYR 19 -17.644 -6.375 -2.025 172 HB3 TYR 19 1HB TYR 19 -18.817 -6.502 -3.334 173 HD1 TYR 19 1HD TYR 19 -21.343 -6.383 -2.640 174 HD2 TYR 19 2HD TYR 19 -18.113 -4.912 -0.220 175 HE1 TYR 19 1HE TYR 19 -22.932 -4.959 -1.381 176 HE2 TYR 19 2HE TYR 19 -19.705 -3.490 1.038 177 HH TYR 19 HH TYR 19 -22.069 -3.375 1.538 178 H GLY 20 H GLY 20 -17.210 -9.642 -0.850 179 HA2 GLY 20 2HA GLY 20 -15.717 -11.270 -1.653 180 HA3 GLY 20 1HA GLY 20 -16.507 -11.146 -3.228 181 H ALA 21 H ALA 21 -16.093 -8.969 -4.327 182 HA ALA 21 HA ALA 21 -14.157 -7.109 -4.045 183 HB1 ALA 21 1HB ALA 21 -12.121 -8.307 -5.281 184 HB2 ALA 21 2HB ALA 21 -12.838 -9.763 -4.592 185 HB3 ALA 21 3HB ALA 21 -12.301 -8.458 -3.537 186 H LYS 22 H LYS 22 -16.398 -7.311 -5.571 187 HA LYS 22 HA LYS 22 -15.331 -6.879 -8.311 188 HB2 LYS 22 2HB LYS 22 -17.181 -8.314 -9.265 189 HB3 LYS 22 1HB LYS 22 -15.906 -9.202 -8.431 190 HG2 LYS 22 2HG LYS 22 -17.258 -9.505 -6.479 191 HG3 LYS 22 1HG LYS 22 -18.457 -8.344 -7.044 192 HD2 LYS 22 2HD LYS 22 -19.199 -10.704 -7.350 193 HD3 LYS 22 1HD LYS 22 -19.096 -9.824 -8.874 194 HE2 LYS 22 2HE LYS 22 -18.066 -12.208 -8.781 195 HE3 LYS 22 1HE LYS 22 -17.105 -10.926 -9.517 196 HZ1 LYS 22 3HZ LYS 22 -15.645 -10.915 -7.815 197 HZ2 LYS 22 1HZ LYS 22 -16.174 -12.515 -7.622 198 HZ3 LYS 22 2HZ LYS 22 -16.818 -11.285 -6.642 199 H ASP 23 H ASP 23 -17.626 -6.125 -5.859 200 HA ASP 23 HA ASP 23 -19.248 -4.467 -7.762 201 HB2 ASP 23 2HB ASP 23 -19.930 -5.106 -4.882 202 HB3 ASP 23 1HB ASP 23 -20.999 -4.509 -6.152 203 H TRP 24 H TRP 24 -16.746 -3.517 -7.227 204 HA TRP 24 HA TRP 24 -16.491 -1.875 -4.914 205 HB2 TRP 24 2HB TRP 24 -15.299 -1.447 -7.670 206 HB3 TRP 24 1HB TRP 24 -14.727 -0.719 -6.167 207 HD1 TRP 24 HD TRP 24 -14.641 -3.947 -8.138 208 HE1 TRP 24 1HE TRP 24 -13.130 -5.635 -6.895 209 HE3 TRP 24 3HE TRP 24 -13.947 -1.420 -3.792 210 HZ2 TRP 24 2HZ TRP 24 -11.800 -5.860 -4.357 211 HZ3 TRP 24 3HZ TRP 24 -12.559 -2.361 -1.982 212 HH2 TRP 24 HH TRP 24 -11.496 -4.579 -2.248 213 H ILE 25 H ILE 25 -18.309 -1.437 -7.844 214 HA ILE 25 HA ILE 25 -18.562 1.412 -7.746 215 HB ILE 25 HB ILE 25 -20.760 0.892 -9.017 216 HG12 ILE 25 2HG1 ILE 25 -19.571 -1.896 -9.055 217 HG13 ILE 25 1HG1 ILE 25 -20.902 -1.436 -7.996 218 HG21 ILE 25 1HG2 ILE 25 -19.523 0.221 -11.051 219 HG22 ILE 25 2HG2 ILE 25 -18.136 -0.224 -10.056 220 HG23 ILE 25 3HG2 ILE 25 -18.647 1.461 -10.153 221 HD11 ILE 25 3HD1 ILE 25 -20.899 -1.256 -11.023 222 HD12 ILE 25 1HD1 ILE 25 -22.225 -0.748 -9.976 223 HD13 ILE 25 2HD1 ILE 25 -21.768 -2.449 -10.059 224 H ARG 26 H ARG 26 -20.123 -1.245 -6.088 225 HA ARG 26 HA ARG 26 -22.237 0.394 -4.960 226 HB2 ARG 26 2HB ARG 26 -21.199 -2.373 -4.303 227 HB3 ARG 26 1HB ARG 26 -22.537 -1.621 -3.436 228 HG2 ARG 26 2HG ARG 26 -23.707 -1.329 -5.650 229 HG3 ARG 26 1HG ARG 26 -22.422 -2.286 -6.389 230 HD2 ARG 26 2HD ARG 26 -22.934 -4.146 -4.833 231 HD3 ARG 26 1HD ARG 26 -24.254 -3.195 -4.154 232 HE ARG 26 HE ARG 26 -24.528 -3.443 -7.020 233 HH11 ARG 26 1HH2 ARG 26 -24.881 -5.065 -3.997 234 HH12 ARG 26 2HH2 ARG 26 -26.135 -6.120 -4.559 235 HH21 ARG 26 1HH1 ARG 26 -26.162 -4.812 -7.770 236 HH22 ARG 26 2HH1 ARG 26 -26.860 -5.978 -6.694 237 H ILE 27 H ILE 27 -19.287 -1.142 -3.705 238 HA ILE 27 HA ILE 27 -19.379 -0.034 -1.121 239 HB ILE 27 HB ILE 27 -16.880 -0.554 -2.753 240 HG12 ILE 27 2HG1 ILE 27 -18.388 -2.450 -0.929 241 HG13 ILE 27 1HG1 ILE 27 -18.517 -2.481 -2.686 242 HG21 ILE 27 1HG2 ILE 27 -16.463 0.665 -0.672 243 HG22 ILE 27 2HG2 ILE 27 -15.900 -0.995 -0.502 244 HG23 ILE 27 3HG2 ILE 27 -17.426 -0.503 0.231 245 HD11 ILE 27 3HD1 ILE 27 -16.868 -4.122 -2.081 246 HD12 ILE 27 1HD1 ILE 27 -16.042 -2.984 -1.017 247 HD13 ILE 27 2HD1 ILE 27 -15.996 -2.750 -2.764 248 H SER 28 H SER 28 -18.278 1.352 -4.162 249 HA SER 28 HA SER 28 -17.068 3.696 -2.950 250 HB2 SER 28 2HB SER 28 -17.913 3.006 -5.769 251 HB3 SER 28 1HB SER 28 -17.216 4.569 -5.353 252 HG SER 28 HG SER 28 -15.387 3.479 -4.586 253 H GLN 29 H GLN 29 -20.297 2.821 -3.999 254 HA GLN 29 HA GLN 29 -21.344 5.502 -4.148 255 HB2 GLN 29 2HB GLN 29 -22.600 2.786 -3.719 256 HB3 GLN 29 1HB GLN 29 -23.580 4.246 -3.631 257 HG2 GLN 29 2HG GLN 29 -21.767 3.788 -6.009 258 HG3 GLN 29 1HG GLN 29 -23.345 3.008 -5.940 259 HE21 GLN 29 1HE2 GLN 29 -23.257 6.031 -4.281 260 HE22 GLN 29 2HE2 GLN 29 -23.993 6.968 -5.491 261 H LEU 30 H LEU 30 -20.916 3.199 -1.500 262 HA LEU 30 HA LEU 30 -22.354 4.749 0.465 263 HB2 LEU 30 2HB LEU 30 -20.015 2.933 1.103 264 HB3 LEU 30 1HB LEU 30 -21.453 3.253 2.073 265 HG LEU 30 HG LEU 30 -21.346 1.719 -0.540 266 HD11 LEU 30 1HD1 LEU 30 -20.526 0.553 1.524 267 HD12 LEU 30 2HD1 LEU 30 -21.963 -0.191 0.823 268 HD13 LEU 30 3HD1 LEU 30 -22.107 0.827 2.255 269 HD21 LEU 30 3HD2 LEU 30 -23.430 2.899 -0.528 270 HD22 LEU 30 1HD2 LEU 30 -23.663 2.617 1.197 271 HD23 LEU 30 2HD2 LEU 30 -23.802 1.279 0.056 272 H MET 31 H MET 31 -18.947 4.532 -0.493 273 HA MET 31 HA MET 31 -18.390 7.097 0.986 274 HB2 MET 31 2HB MET 31 -16.464 4.866 0.266 275 HB3 MET 31 1HB MET 31 -16.072 6.330 1.168 276 HG2 MET 31 2HG MET 31 -18.133 4.296 2.059 277 HG3 MET 31 1HG MET 31 -16.466 4.325 2.632 278 HE1 MET 31 3HE MET 31 -15.696 5.494 4.553 279 HE2 MET 31 1HE MET 31 -16.119 7.161 4.967 280 HE3 MET 31 2HE MET 31 -15.405 6.792 3.400 281 H ILE 32 H ILE 32 -19.379 7.831 -1.238 282 HA ILE 32 HA ILE 32 -17.970 7.549 -3.664 283 HB ILE 32 HB ILE 32 -18.960 9.830 -4.238 284 HG12 ILE 32 2HG1 ILE 32 -20.697 10.638 -2.592 285 HG13 ILE 32 1HG1 ILE 32 -20.027 9.532 -1.403 286 HG21 ILE 32 1HG2 ILE 32 -20.150 7.772 -4.746 287 HG22 ILE 32 2HG2 ILE 32 -21.300 8.968 -4.146 288 HG23 ILE 32 3HG2 ILE 32 -20.747 7.670 -3.089 289 HD11 ILE 32 3HD1 ILE 32 -18.100 10.789 -1.122 290 HD12 ILE 32 1HD1 ILE 32 -19.241 12.068 -1.516 291 HD13 ILE 32 2HD1 ILE 32 -18.151 11.454 -2.755 292 H THR 33 H THR 33 -16.725 8.788 -0.839 293 HA THR 33 HA THR 33 -15.153 10.976 -1.929 294 HB THR 33 HB THR 33 -15.536 10.993 0.440 295 HG1 THR 33 1HG THR 33 -13.021 10.120 0.787 296 HG21 THR 33 3HG2 THR 33 -14.429 8.178 0.358 297 HG22 THR 33 1HG2 THR 33 -16.043 8.686 0.860 298 HG23 THR 33 2HG2 THR 33 -14.643 9.086 1.855 299 H ARG 34 H ARG 34 -15.106 7.867 -2.769 300 HA ARG 34 HA ARG 34 -12.235 7.947 -3.528 301 HB2 ARG 34 2HB ARG 34 -11.707 5.808 -2.579 302 HB3 ARG 34 1HB ARG 34 -12.461 6.747 -1.292 303 HG2 ARG 34 2HG ARG 34 -14.686 5.554 -2.378 304 HG3 ARG 34 1HG ARG 34 -13.481 4.320 -2.713 305 HD2 ARG 34 2HD ARG 34 -14.186 5.493 -0.007 306 HD3 ARG 34 1HD ARG 34 -14.487 3.847 -0.561 307 HE ARG 34 HE ARG 34 -11.662 4.548 -0.632 308 HH11 ARG 34 1HH2 ARG 34 -14.322 3.510 1.301 309 HH12 ARG 34 2HH2 ARG 34 -13.337 2.656 2.440 310 HH21 ARG 34 1HH1 ARG 34 -10.358 3.427 0.845 311 HH22 ARG 34 2HH1 ARG 34 -11.094 2.611 2.183 312 H ASN 35 H ASN 35 -11.787 6.486 -5.319 313 HA ASN 35 HA ASN 35 -14.210 5.880 -6.912 314 HB2 ASN 35 2HB ASN 35 -11.371 5.487 -7.867 315 HB3 ASN 35 1HB ASN 35 -12.797 5.905 -8.810 316 HD21 ASN 35 1HD2 ASN 35 -13.681 8.152 -8.498 317 HD22 ASN 35 2HD2 ASN 35 -12.625 9.390 -8.016 318 HA PRO 36 HA PRO 36 -14.205 1.564 -5.998 319 HB2 PRO 36 2HB PRO 36 -14.378 0.489 -8.637 320 HB3 PRO 36 1HB PRO 36 -15.732 0.886 -7.571 321 HG2 PRO 36 2HG PRO 36 -14.588 2.448 -9.814 322 HG3 PRO 36 1HG PRO 36 -16.257 2.380 -9.221 323 HD2 PRO 36 2HD PRO 36 -14.652 4.513 -8.734 324 HD3 PRO 36 1HD PRO 36 -15.873 3.983 -7.558 325 H ARG 37 H ARG 37 -12.065 2.736 -8.523 326 HA ARG 37 HA ARG 37 -10.287 0.457 -8.495 327 HB2 ARG 37 2HB ARG 37 -9.747 3.304 -9.391 328 HB3 ARG 37 1HB ARG 37 -8.794 1.879 -9.812 329 HG2 ARG 37 2HG ARG 37 -10.685 0.905 -10.998 330 HG3 ARG 37 1HG ARG 37 -11.727 2.237 -10.493 331 HD2 ARG 37 2HD ARG 37 -10.136 3.807 -11.681 332 HD3 ARG 37 1HD ARG 37 -9.333 2.383 -12.341 333 HE ARG 37 HE ARG 37 -12.181 2.298 -12.840 334 HH11 ARG 37 1HH2 ARG 37 -9.178 3.704 -13.790 335 HH12 ARG 37 2HH2 ARG 37 -9.674 3.983 -15.426 336 HH21 ARG 37 1HH1 ARG 37 -12.844 2.654 -14.970 337 HH22 ARG 37 2HH1 ARG 37 -11.750 3.389 -16.094 338 H GLN 38 H GLN 38 -10.604 3.388 -6.599 339 HA GLN 38 HA GLN 38 -7.925 3.382 -5.538 340 HB2 GLN 38 2HB GLN 38 -10.506 4.588 -4.522 341 HB3 GLN 38 1HB GLN 38 -8.961 4.808 -3.711 342 HG2 GLN 38 2HG GLN 38 -9.362 5.461 -6.638 343 HG3 GLN 38 1HG GLN 38 -9.611 6.648 -5.357 344 HE21 GLN 38 1HE2 GLN 38 -7.710 7.338 -4.114 345 HE22 GLN 38 2HE2 GLN 38 -6.138 7.049 -4.686 346 H CYS 39 H CYS 39 -11.013 1.971 -4.302 347 HA CYS 39 HA CYS 39 -9.658 0.936 -1.926 348 HB2 CYS 39 2HB CYS 39 -12.298 0.098 -3.143 349 HB3 CYS 39 1HB CYS 39 -11.745 -0.236 -1.504 350 HG CYS 39 HG CYS 39 -13.298 1.926 -1.545 351 H ARG 40 H ARG 40 -10.411 -0.205 -5.162 352 HA ARG 40 HA ARG 40 -9.968 -2.974 -4.770 353 HB2 ARG 40 2HB ARG 40 -10.839 -2.098 -6.885 354 HB3 ARG 40 1HB ARG 40 -9.332 -1.234 -7.171 355 HG2 ARG 40 2HG ARG 40 -9.481 -3.361 -8.470 356 HG3 ARG 40 1HG ARG 40 -8.103 -3.337 -7.378 357 HD2 ARG 40 2HD ARG 40 -9.115 -4.860 -5.881 358 HD3 ARG 40 1HD ARG 40 -10.734 -4.537 -6.503 359 HE ARG 40 HE ARG 40 -8.856 -6.463 -7.582 360 HH11 ARG 40 1HH2 ARG 40 -11.376 -4.221 -8.302 361 HH12 ARG 40 2HH2 ARG 40 -11.893 -5.057 -9.728 362 HH21 ARG 40 1HH1 ARG 40 -9.517 -7.566 -9.441 363 HH22 ARG 40 2HH1 ARG 40 -10.840 -6.950 -10.372 364 H GLU 41 H GLU 41 -7.656 -0.420 -5.697 365 HA GLU 41 HA GLU 41 -5.331 -2.014 -5.807 366 HB2 GLU 41 2HB GLU 41 -5.693 0.874 -4.966 367 HB3 GLU 41 1HB GLU 41 -4.116 0.126 -5.223 368 HG2 GLU 41 2HG GLU 41 -4.630 -0.328 -7.538 369 HG3 GLU 41 1HG GLU 41 -6.306 0.175 -7.316 370 H ARG 42 H ARG 42 -7.121 -0.811 -3.053 371 HA ARG 42 HA ARG 42 -5.027 -1.255 -1.113 372 HB2 ARG 42 2HB ARG 42 -7.384 0.068 -1.024 373 HB3 ARG 42 1HB ARG 42 -7.917 -1.442 -0.310 374 HG2 ARG 42 2HG ARG 42 -7.243 -0.056 1.516 375 HG3 ARG 42 1HG ARG 42 -5.965 -1.241 1.312 376 HD2 ARG 42 2HD ARG 42 -4.455 0.344 0.450 377 HD3 ARG 42 1HD ARG 42 -5.739 1.416 -0.100 378 HE ARG 42 HE ARG 42 -5.987 1.371 2.675 379 HH11 ARG 42 1HH2 ARG 42 -3.552 2.064 0.333 380 HH12 ARG 42 2HH2 ARG 42 -2.753 3.242 1.319 381 HH21 ARG 42 1HH1 ARG 42 -4.956 2.904 3.975 382 HH22 ARG 42 2HH1 ARG 42 -3.548 3.718 3.381 383 H TRP 43 H TRP 43 -7.797 -3.178 -2.216 384 HA TRP 43 HA TRP 43 -7.723 -5.410 -0.582 385 HB2 TRP 43 2HB TRP 43 -9.245 -5.001 -2.520 386 HB3 TRP 43 1HB TRP 43 -7.934 -5.438 -3.598 387 HD1 TRP 43 HD TRP 43 -8.057 -7.827 -4.383 388 HE1 TRP 43 1HE TRP 43 -8.966 -10.052 -3.459 389 HE3 TRP 43 3HE TRP 43 -9.764 -6.271 0.180 390 HZ2 TRP 43 2HZ TRP 43 -10.231 -11.046 -1.100 391 HZ3 TRP 43 3HZ TRP 43 -10.808 -7.881 1.741 392 HH2 TRP 43 HH TRP 43 -11.049 -10.265 1.107 393 H ASN 44 H ASN 44 -5.817 -5.160 -3.611 394 HA ASN 44 HA ASN 44 -4.257 -7.505 -2.903 395 HB2 ASN 44 2HB ASN 44 -2.851 -6.762 -4.898 396 HB3 ASN 44 1HB ASN 44 -4.557 -7.068 -5.230 397 HD21 ASN 44 1HD2 ASN 44 -5.728 -5.372 -6.164 398 HD22 ASN 44 2HD2 ASN 44 -5.176 -3.771 -6.279 399 H ASN 45 H ASN 45 -3.543 -3.998 -2.873 400 HA ASN 45 HA ASN 45 -0.830 -4.491 -1.872 401 HB2 ASN 45 2HB ASN 45 -2.415 -1.916 -2.111 402 HB3 ASN 45 1HB ASN 45 -0.693 -2.029 -1.751 403 HD21 ASN 45 1HD2 ASN 45 -2.664 -1.333 -4.274 404 HD22 ASN 45 2HD2 ASN 45 -1.739 -1.941 -5.561 405 H TYR 46 H TYR 46 -3.492 -5.129 -0.228 406 HA TYR 46 HA TYR 46 -2.243 -4.277 2.312 407 HB2 TYR 46 2HB TYR 46 -4.066 -2.577 1.262 408 HB3 TYR 46 1HB TYR 46 -5.153 -3.619 2.172 409 HD1 TYR 46 2HD TYR 46 -3.670 -4.358 4.549 410 HD2 TYR 46 1HD TYR 46 -3.711 -0.587 2.488 411 HE1 TYR 46 2HE TYR 46 -3.039 -3.208 6.645 412 HE2 TYR 46 1HE TYR 46 -3.077 0.561 4.589 413 HH TYR 46 HH TYR 46 -2.848 0.329 6.815 414 H ILE 47 H ILE 47 -5.271 -5.782 1.052 415 HA ILE 47 HA ILE 47 -4.627 -8.139 2.728 416 HB ILE 47 HB ILE 47 -6.645 -8.226 3.952 417 HG12 ILE 47 2HG1 ILE 47 -8.254 -7.447 2.207 418 HG13 ILE 47 1HG1 ILE 47 -8.514 -6.691 3.757 419 HG21 ILE 47 1HG2 ILE 47 -5.753 -5.330 3.985 420 HG22 ILE 47 2HG2 ILE 47 -4.987 -6.656 4.854 421 HG23 ILE 47 3HG2 ILE 47 -6.629 -6.166 5.264 422 HD11 ILE 47 3HD1 ILE 47 -8.642 -5.080 1.861 423 HD12 ILE 47 1HD1 ILE 47 -6.954 -5.399 1.524 424 HD13 ILE 47 2HD1 ILE 47 -7.411 -4.661 3.044 425 H ASN 48 H ASN 48 -4.780 -9.818 1.545 426 HA ASN 48 HA ASN 48 -7.016 -10.741 0.129 427 HB2 ASN 48 2HB ASN 48 -6.924 -9.731 -1.913 428 HB3 ASN 48 1HB ASN 48 -5.541 -8.809 -1.393 429 HD21 ASN 48 1HD2 ASN 48 -3.621 -9.180 -2.514 430 HD22 ASN 48 2HD2 ASN 48 -3.326 -10.534 -3.496 431 HA PRO 49 HA PRO 49 -3.418 -13.712 -0.428 432 HB2 PRO 49 2HB PRO 49 -0.869 -12.836 -0.721 433 HB3 PRO 49 1HB PRO 49 -2.077 -12.634 -2.005 434 HG2 PRO 49 2HG PRO 49 -0.862 -10.585 -0.287 435 HG3 PRO 49 1HG PRO 49 -1.753 -10.383 -1.798 436 HD2 PRO 49 2HD PRO 49 -2.763 -10.158 0.976 437 HD3 PRO 49 1HD PRO 49 -3.536 -9.639 -0.528 438 H ALA 50 H ALA 50 -3.152 -11.478 2.141 439 HA ALA 50 HA ALA 50 -2.545 -11.800 4.384 440 HB1 ALA 50 1HB ALA 50 -3.297 -14.277 3.729 441 HB2 ALA 50 2HB ALA 50 -2.452 -13.970 5.245 442 HB3 ALA 50 3HB ALA 50 -1.569 -14.606 3.859 443 H LEU 51 H LEU 51 -0.882 -10.392 3.023 444 HA LEU 51 HA LEU 51 1.840 -11.561 3.008 445 HB2 LEU 51 2HB LEU 51 2.335 -9.087 2.185 446 HB3 LEU 51 1HB LEU 51 1.572 -10.239 1.096 447 HG LEU 51 HG LEU 51 -0.644 -9.330 1.641 448 HD11 LEU 51 1HD1 LEU 51 -0.455 -8.643 3.905 449 HD12 LEU 51 2HD1 LEU 51 -0.673 -7.152 2.994 450 HD13 LEU 51 3HD1 LEU 51 0.934 -7.613 3.557 451 HD21 LEU 51 3HD2 LEU 51 0.900 -8.280 -0.124 452 HD22 LEU 51 1HD2 LEU 51 1.180 -7.006 1.062 453 HD23 LEU 51 2HD2 LEU 51 -0.443 -7.290 0.445 454 H ARG 52 H ARG 52 0.380 -11.108 5.546 455 HA ARG 52 HA ARG 52 1.279 -8.795 6.914 456 HB2 ARG 52 2HB ARG 52 0.965 -10.124 8.979 457 HB3 ARG 52 1HB ARG 52 -0.385 -10.339 7.863 458 HG2 ARG 52 2HG ARG 52 0.784 -12.411 6.996 459 HG3 ARG 52 1HG ARG 52 1.935 -12.235 8.320 460 HD2 ARG 52 2HD ARG 52 -1.061 -12.419 8.748 461 HD3 ARG 52 1HD ARG 52 0.008 -13.817 8.776 462 HE ARG 52 HE ARG 52 0.930 -13.058 10.841 463 HH11 ARG 52 1HH2 ARG 52 -1.243 -10.769 9.418 464 HH12 ARG 52 2HH2 ARG 52 -1.352 -9.799 10.847 465 HH21 ARG 52 1HH1 ARG 52 0.788 -11.795 12.699 466 HH22 ARG 52 2HH1 ARG 52 -0.206 -10.377 12.699 467 H THR 53 H THR 53 3.157 -11.159 5.482 468 HA THR 53 HA THR 53 5.561 -10.210 6.887 469 HB THR 53 HB THR 53 4.964 -13.180 6.863 470 HG1 THR 53 1HG THR 53 4.023 -12.942 8.722 471 HG21 THR 53 3HG2 THR 53 7.353 -12.413 6.906 472 HG22 THR 53 1HG2 THR 53 6.875 -13.312 8.347 473 HG23 THR 53 2HG2 THR 53 7.001 -11.554 8.406 474 H ASP 54 H ASP 54 5.439 -9.511 4.463 475 HA ASP 54 HA ASP 54 6.939 -11.537 2.822 476 HB2 ASP 54 2HB ASP 54 4.568 -11.265 2.033 477 HB3 ASP 54 1HB ASP 54 4.902 -9.553 1.770 478 HA PRO 55 HA PRO 55 8.936 -7.255 3.305 479 HB2 PRO 55 2HB PRO 55 11.225 -8.081 4.592 480 HB3 PRO 55 1HB PRO 55 9.740 -7.623 5.455 481 HG2 PRO 55 2HG PRO 55 10.708 -10.353 4.688 482 HG3 PRO 55 1HG PRO 55 10.074 -9.788 6.247 483 HD2 PRO 55 2HD PRO 55 8.499 -11.146 4.533 484 HD3 PRO 55 1HD PRO 55 7.843 -9.798 5.492 485 H TRP 56 H TRP 56 10.278 -6.542 1.738 486 HA TRP 56 HA TRP 56 11.348 -8.452 -0.212 487 HB2 TRP 56 2HB TRP 56 12.244 -6.082 -1.159 488 HB3 TRP 56 1HB TRP 56 10.593 -6.629 -1.405 489 HD1 TRP 56 HD TRP 56 8.751 -5.696 0.401 490 HE1 TRP 56 1HE TRP 56 8.589 -3.373 1.504 491 HE3 TRP 56 3HE TRP 56 13.560 -4.131 -0.221 492 HZ2 TRP 56 2HZ TRP 56 10.300 -1.134 2.032 493 HZ3 TRP 56 3HZ TRP 56 14.262 -1.906 0.565 494 HH2 TRP 56 HH TRP 56 12.648 -0.402 1.704 495 H SER 57 H SER 57 13.703 -7.325 -1.066 496 HA SER 57 HA SER 57 15.524 -7.419 1.316 497 HB2 SER 57 2HB SER 57 16.611 -8.693 -1.122 498 HB3 SER 57 1HB SER 57 16.554 -9.313 0.528 499 HG SER 57 HG SER 57 14.177 -9.526 -0.007 500 HA PRO 58 HA PRO 58 18.059 -4.130 -0.204 501 HB2 PRO 58 2HB PRO 58 20.085 -6.096 -1.260 502 HB3 PRO 58 1HB PRO 58 20.346 -4.626 -0.293 503 HG2 PRO 58 2HG PRO 58 20.425 -6.967 0.893 504 HG3 PRO 58 1HG PRO 58 19.547 -5.628 1.664 505 HD2 PRO 58 2HD PRO 58 18.440 -7.994 0.180 506 HD3 PRO 58 1HD PRO 58 17.810 -7.192 1.637 507 H GLU 59 H GLU 59 17.117 -6.543 -2.476 508 HA GLU 59 HA GLU 59 18.127 -5.234 -4.844 509 HB2 GLU 59 2HB GLU 59 16.885 -6.879 -6.079 510 HB3 GLU 59 1HB GLU 59 17.557 -7.698 -4.671 511 HG2 GLU 59 2HG GLU 59 15.313 -7.199 -3.512 512 HG3 GLU 59 1HG GLU 59 14.713 -6.786 -5.119 513 H GLU 60 H GLU 60 14.932 -5.362 -3.193 514 HA GLU 60 HA GLU 60 13.799 -3.473 -5.121 515 HB2 GLU 60 2HB GLU 60 12.747 -4.126 -2.360 516 HB3 GLU 60 1HB GLU 60 11.849 -3.451 -3.707 517 HG2 GLU 60 2HG GLU 60 13.049 -6.228 -3.565 518 HG3 GLU 60 1HG GLU 60 11.337 -5.825 -3.501 519 H ASP 61 H ASP 61 15.700 -3.355 -2.235 520 HA ASP 61 HA ASP 61 15.040 -0.685 -1.389 521 HB2 ASP 61 2HB ASP 61 16.415 -2.457 -0.107 522 HB3 ASP 61 1HB ASP 61 17.775 -1.971 -1.114 523 H MET 62 H MET 62 17.830 -1.911 -3.262 524 HA MET 62 HA MET 62 18.766 0.655 -4.071 525 HB2 MET 62 2HB MET 62 19.061 -2.038 -5.440 526 HB3 MET 62 1HB MET 62 19.998 -0.595 -5.835 527 HG2 MET 62 2HG MET 62 19.916 -1.823 -3.067 528 HG3 MET 62 1HG MET 62 21.160 -2.196 -4.260 529 HE1 MET 62 3HE MET 62 22.202 -1.447 -1.783 530 HE2 MET 62 1HE MET 62 23.219 -0.008 -1.942 531 HE3 MET 62 2HE MET 62 23.317 -1.296 -3.139 532 H LEU 63 H LEU 63 16.393 -1.585 -5.452 533 HA LEU 63 HA LEU 63 16.037 -0.010 -7.888 534 HB2 LEU 63 2HB LEU 63 15.408 -2.548 -7.309 535 HB3 LEU 63 1HB LEU 63 13.869 -1.836 -6.845 536 HG LEU 63 HG LEU 63 15.227 -1.672 -9.554 537 HD11 LEU 63 1HD1 LEU 63 13.132 -2.820 -10.280 538 HD12 LEU 63 2HD1 LEU 63 12.635 -2.917 -8.590 539 HD13 LEU 63 3HD1 LEU 63 14.074 -3.778 -9.136 540 HD21 LEU 63 3HD2 LEU 63 12.979 -0.493 -10.143 541 HD22 LEU 63 1HD2 LEU 63 14.219 0.456 -9.332 542 HD23 LEU 63 2HD2 LEU 63 12.855 -0.179 -8.413 543 H LEU 64 H LEU 64 14.576 -0.140 -4.698 544 HA LEU 64 HA LEU 64 12.357 1.617 -5.261 545 HB2 LEU 64 2HB LEU 64 12.249 0.208 -3.306 546 HB3 LEU 64 1HB LEU 64 13.776 0.837 -2.695 547 HG LEU 64 HG LEU 64 12.748 3.033 -2.320 548 HD11 LEU 64 1HD1 LEU 64 10.167 3.104 -2.614 549 HD12 LEU 64 2HD1 LEU 64 10.384 1.724 -3.687 550 HD13 LEU 64 3HD1 LEU 64 11.157 3.264 -4.064 551 HD21 LEU 64 3HD2 LEU 64 12.519 1.084 -0.653 552 HD22 LEU 64 1HD2 LEU 64 10.855 0.942 -1.223 553 HD23 LEU 64 2HD2 LEU 64 11.404 2.430 -0.454 554 H ASP 65 H ASP 65 15.683 2.090 -4.128 555 HA ASP 65 HA ASP 65 15.614 4.788 -3.389 556 HB2 ASP 65 2HB ASP 65 17.624 3.252 -3.352 557 HB3 ASP 65 1HB ASP 65 17.793 3.542 -5.084 558 H GLN 66 H GLN 66 15.492 3.368 -6.605 559 HA GLN 66 HA GLN 66 15.791 5.937 -7.979 560 HB2 GLN 66 2HB GLN 66 15.132 3.116 -8.831 561 HB3 GLN 66 1HB GLN 66 14.901 4.448 -9.962 562 HG2 GLN 66 2HG GLN 66 17.147 3.361 -10.170 563 HG3 GLN 66 1HG GLN 66 17.241 5.078 -9.783 564 HE21 GLN 66 1HE2 GLN 66 17.611 5.620 -7.418 565 HE22 GLN 66 2HE2 GLN 66 18.482 4.521 -6.462 566 H LYS 67 H LYS 67 13.054 3.756 -7.237 567 HA LYS 67 HA LYS 67 11.115 5.526 -8.498 568 HB2 LYS 67 2HB LYS 67 10.949 3.101 -6.705 569 HB3 LYS 67 1HB LYS 67 9.498 4.052 -7.021 570 HG2 LYS 67 2HG LYS 67 9.767 2.149 -8.612 571 HG3 LYS 67 1HG LYS 67 9.742 3.715 -9.422 572 HD2 LYS 67 2HD LYS 67 12.130 3.709 -9.692 573 HD3 LYS 67 1HD LYS 67 12.306 2.310 -8.632 574 HE2 LYS 67 2HE LYS 67 12.476 1.659 -11.012 575 HE3 LYS 67 1HE LYS 67 11.072 0.918 -10.245 576 HZ1 LYS 67 3HZ LYS 67 9.643 2.175 -11.430 577 HZ2 LYS 67 1HZ LYS 67 10.928 2.223 -12.534 578 HZ3 LYS 67 2HZ LYS 67 10.671 3.527 -11.475 579 H TYR 68 H TYR 68 11.813 4.769 -5.070 580 HA TYR 68 HA TYR 68 10.123 6.632 -3.843 581 HB2 TYR 68 2HB TYR 68 11.302 5.161 -2.401 582 HB3 TYR 68 1HB TYR 68 12.859 5.573 -3.109 583 HD1 TYR 68 1HD TYR 68 13.979 7.687 -2.555 584 HD2 TYR 68 2HD TYR 68 10.258 6.583 -0.717 585 HE1 TYR 68 1HE TYR 68 14.315 9.434 -0.833 586 HE2 TYR 68 2HE TYR 68 10.594 8.330 1.008 587 HH TYR 68 HH TYR 68 13.471 10.443 0.951 588 H ALA 69 H ALA 69 13.401 7.143 -5.115 589 HA ALA 69 HA ALA 69 13.801 9.821 -4.401 590 HB1 ALA 69 1HB ALA 69 15.135 9.930 -6.583 591 HB2 ALA 69 2HB ALA 69 14.579 8.285 -6.894 592 HB3 ALA 69 3HB ALA 69 15.578 8.627 -5.481 593 H GLU 70 H GLU 70 11.796 8.446 -6.943 594 HA GLU 70 HA GLU 70 11.056 11.125 -7.979 595 HB2 GLU 70 2HB GLU 70 10.450 8.281 -8.821 596 HB3 GLU 70 1HB GLU 70 9.661 9.671 -9.566 597 HG2 GLU 70 2HG GLU 70 12.672 9.390 -9.380 598 HG3 GLU 70 1HG GLU 70 11.740 8.831 -10.769 599 H TYR 71 H TYR 71 9.328 8.206 -6.821 600 HA TYR 71 HA TYR 71 6.872 9.696 -6.402 601 HB2 TYR 71 2HB TYR 71 7.659 6.902 -5.555 602 HB3 TYR 71 1HB TYR 71 6.028 7.563 -5.500 603 HD1 TYR 71 1HD TYR 71 4.856 8.216 -7.602 604 HD2 TYR 71 2HD TYR 71 8.635 6.174 -7.640 605 HE1 TYR 71 1HE TYR 71 4.513 7.620 -9.985 606 HE2 TYR 71 2HE TYR 71 8.292 5.579 -10.021 607 HH TYR 71 HH TYR 71 5.242 6.180 -11.642 608 H GLY 72 H GLY 72 9.339 8.331 -4.225 609 HA2 GLY 72 2HA GLY 72 9.962 9.344 -2.122 610 HA3 GLY 72 1HA GLY 72 8.448 10.243 -2.132 611 HA PRO 73 HA PRO 73 7.729 6.602 0.589 612 HB2 PRO 73 2HB PRO 73 6.293 7.809 2.555 613 HB3 PRO 73 1HB PRO 73 8.064 7.931 2.475 614 HG2 PRO 73 2HG PRO 73 5.995 9.921 1.640 615 HG3 PRO 73 1HG PRO 73 7.548 10.188 2.455 616 HD2 PRO 73 2HD PRO 73 7.137 10.546 -0.275 617 HD3 PRO 73 1HD PRO 73 8.728 10.233 0.453 618 H LYS 74 H LYS 74 6.128 7.605 -1.777 619 HA LYS 74 HA LYS 74 3.321 7.242 -0.935 620 HB2 LYS 74 2HB LYS 74 4.722 7.690 -3.571 621 HB3 LYS 74 1HB LYS 74 3.004 7.308 -3.501 622 HG2 LYS 74 2HG LYS 74 2.560 9.275 -2.159 623 HG3 LYS 74 1HG LYS 74 4.285 9.609 -2.000 624 HD2 LYS 74 2HD LYS 74 4.409 9.865 -4.490 625 HD3 LYS 74 1HD LYS 74 2.655 9.689 -4.555 626 HE2 LYS 74 2HE LYS 74 2.409 11.650 -3.066 627 HE3 LYS 74 1HE LYS 74 4.162 11.836 -3.033 628 HZ1 LYS 74 3HZ LYS 74 4.027 11.976 -5.525 629 HZ2 LYS 74 1HZ LYS 74 3.379 13.296 -4.679 630 HZ3 LYS 74 2HZ LYS 74 2.344 12.128 -5.351 631 H TRP 75 H TRP 75 4.090 5.055 -0.006 632 HA TRP 75 HA TRP 75 4.858 2.890 -1.614 633 HB2 TRP 75 2HB TRP 75 2.951 2.538 0.690 634 HB3 TRP 75 1HB TRP 75 4.307 1.516 0.216 635 HD1 TRP 75 HD TRP 75 3.447 3.823 2.798 636 HE1 TRP 75 1HE TRP 75 5.513 4.920 3.875 637 HE3 TRP 75 3HE TRP 75 6.991 2.744 -0.732 638 HZ2 TRP 75 2HZ TRP 75 8.282 5.303 3.321 639 HZ3 TRP 75 3HZ TRP 75 9.319 3.497 -0.430 640 HH2 TRP 75 HH TRP 75 9.977 4.774 1.587 641 H ASN 76 H ASN 76 2.088 4.679 -1.918 642 HA ASN 76 HA ASN 76 0.216 2.564 -2.612 643 HB2 ASN 76 2HB ASN 76 -0.571 4.804 -1.911 644 HB3 ASN 76 1HB ASN 76 0.200 5.517 -3.328 645 HD21 ASN 76 1HD2 ASN 76 -1.086 2.389 -3.951 646 HD22 ASN 76 2HD2 ASN 76 -2.516 2.884 -4.720 647 H LYS 77 H LYS 77 2.556 4.582 -4.300 648 HA LYS 77 HA LYS 77 1.799 3.530 -6.949 649 HB2 LYS 77 2HB LYS 77 4.178 5.213 -6.111 650 HB3 LYS 77 1HB LYS 77 3.646 4.923 -7.763 651 HG2 LYS 77 2HG LYS 77 1.827 6.201 -5.704 652 HG3 LYS 77 1HG LYS 77 2.939 7.157 -6.677 653 HD2 LYS 77 2HD LYS 77 1.880 6.101 -8.738 654 HD3 LYS 77 1HD LYS 77 0.649 5.435 -7.665 655 HE2 LYS 77 2HE LYS 77 -0.145 7.542 -8.607 656 HE3 LYS 77 1HE LYS 77 0.131 7.737 -6.876 657 HZ1 LYS 77 3HZ LYS 77 1.073 9.450 -8.596 658 HZ2 LYS 77 1HZ LYS 77 2.335 8.323 -8.714 659 HZ3 LYS 77 2HZ LYS 77 1.961 9.025 -7.212 660 H ILE 78 H ILE 78 4.353 3.163 -4.538 661 HA ILE 78 HA ILE 78 6.028 1.443 -6.109 662 HB ILE 78 HB ILE 78 5.792 1.360 -3.092 663 HG12 ILE 78 2HG1 ILE 78 5.837 3.708 -3.611 664 HG13 ILE 78 1HG1 ILE 78 7.467 3.256 -3.122 665 HG21 ILE 78 1HG2 ILE 78 7.329 -0.217 -4.339 666 HG22 ILE 78 2HG2 ILE 78 8.142 0.830 -3.175 667 HG23 ILE 78 3HG2 ILE 78 8.220 1.199 -4.899 668 HD11 ILE 78 3HD1 ILE 78 7.763 4.586 -5.066 669 HD12 ILE 78 1HD1 ILE 78 6.431 3.794 -5.908 670 HD13 ILE 78 2HD1 ILE 78 7.941 2.927 -5.633 671 H SER 79 H SER 79 3.689 0.689 -3.501 672 HA SER 79 HA SER 79 3.813 -2.102 -3.614 673 HB2 SER 79 2HB SER 79 2.408 -0.704 -2.037 674 HB3 SER 79 1HB SER 79 1.225 -0.564 -3.334 675 HG SER 79 HG SER 79 1.977 -2.768 -1.798 676 H LYS 80 H LYS 80 2.475 0.037 -6.014 677 HA LYS 80 HA LYS 80 0.905 -2.048 -7.334 678 HB2 LYS 80 2HB LYS 80 1.743 0.754 -8.114 679 HB3 LYS 80 1HB LYS 80 0.881 -0.307 -9.228 680 HG2 LYS 80 2HG LYS 80 -0.994 -0.491 -7.706 681 HG3 LYS 80 1HG LYS 80 -0.113 0.366 -6.445 682 HD2 LYS 80 2HD LYS 80 -1.749 1.838 -7.596 683 HD3 LYS 80 1HD LYS 80 -0.094 2.407 -7.795 684 HE2 LYS 80 2HE LYS 80 -1.637 2.329 -9.899 685 HE3 LYS 80 1HE LYS 80 0.008 1.717 -10.048 686 HZ1 LYS 80 3HZ LYS 80 -0.911 -0.523 -9.537 687 HZ2 LYS 80 1HZ LYS 80 -1.452 0.130 -11.005 688 HZ3 LYS 80 2HZ LYS 80 -2.471 0.138 -9.646 689 H PHE 81 H PHE 81 4.199 -1.057 -7.282 690 HA PHE 81 HA PHE 81 4.822 -2.282 -9.901 691 HB2 PHE 81 2HB PHE 81 6.343 -0.760 -7.791 692 HB3 PHE 81 1HB PHE 81 7.250 -1.755 -8.926 693 HD1 PHE 81 1HD PHE 81 4.273 0.540 -9.140 694 HD2 PHE 81 2HD PHE 81 8.125 -0.516 -10.730 695 HE1 PHE 81 1HE PHE 81 4.067 2.333 -10.836 696 HE2 PHE 81 2HE PHE 81 7.914 1.278 -12.425 697 HZ PHE 81 HZ PHE 81 5.886 2.703 -12.478 698 H LEU 82 H LEU 82 4.466 -3.148 -6.650 699 HA LEU 82 HA LEU 82 6.199 -5.576 -6.864 700 HB2 LEU 82 2HB LEU 82 4.798 -4.136 -4.606 701 HB3 LEU 82 1HB LEU 82 5.412 -5.770 -4.390 702 HG LEU 82 HG LEU 82 7.670 -5.103 -4.706 703 HD11 LEU 82 1HD1 LEU 82 8.254 -2.727 -5.381 704 HD12 LEU 82 2HD1 LEU 82 6.564 -2.512 -5.808 705 HD13 LEU 82 3HD1 LEU 82 7.541 -3.702 -6.659 706 HD21 LEU 82 3HD2 LEU 82 6.187 -2.938 -3.185 707 HD22 LEU 82 1HD2 LEU 82 7.938 -3.130 -3.149 708 HD23 LEU 82 2HD2 LEU 82 6.904 -4.407 -2.530 709 H LYS 83 H LYS 83 2.907 -4.785 -5.703 710 HA LYS 83 HA LYS 83 0.899 -5.939 -5.896 711 HB2 LYS 83 2HB LYS 83 2.127 -7.677 -8.048 712 HB3 LYS 83 1HB LYS 83 0.462 -7.134 -7.878 713 HG2 LYS 83 2HG LYS 83 1.540 -4.713 -8.155 714 HG3 LYS 83 1HG LYS 83 2.859 -5.614 -8.895 715 HD2 LYS 83 2HD LYS 83 1.525 -5.171 -10.766 716 HD3 LYS 83 1HD LYS 83 0.920 -6.757 -10.298 717 HE2 LYS 83 2HE LYS 83 -0.945 -5.699 -9.079 718 HE3 LYS 83 1HE LYS 83 -0.319 -4.103 -9.490 719 HZ1 LYS 83 3HZ LYS 83 -1.052 -4.259 -11.592 720 HZ2 LYS 83 1HZ LYS 83 -2.129 -5.398 -10.946 721 HZ3 LYS 83 2HZ LYS 83 -0.708 -5.917 -11.719 722 H ASN 84 H ASN 84 3.697 -7.036 -4.801 723 HA ASN 84 HA ASN 84 2.633 -9.718 -4.008 724 HB2 ASN 84 2HB ASN 84 5.459 -8.730 -4.437 725 HB3 ASN 84 1HB ASN 84 5.103 -10.222 -3.567 726 HD21 ASN 84 1HD2 ASN 84 3.883 -8.696 -6.614 727 HD22 ASN 84 2HD2 ASN 84 4.039 -10.103 -7.550 728 H ARG 85 H ARG 85 3.605 -6.594 -2.965 729 HA ARG 85 HA ARG 85 3.400 -7.470 -0.086 730 HB2 ARG 85 2HB ARG 85 5.220 -5.376 -1.289 731 HB3 ARG 85 1HB ARG 85 4.967 -5.601 0.431 732 HG2 ARG 85 2HG ARG 85 6.835 -6.952 0.207 733 HG3 ARG 85 1HG ARG 85 5.625 -8.155 -0.190 734 HD2 ARG 85 2HD ARG 85 5.947 -7.284 -2.650 735 HD3 ARG 85 1HD ARG 85 7.472 -6.654 -2.034 736 HE ARG 85 HE ARG 85 7.125 -9.422 -1.287 737 HH11 ARG 85 1HH2 ARG 85 7.896 -7.268 -3.868 738 HH12 ARG 85 2HH2 ARG 85 8.879 -8.418 -4.710 739 HH21 ARG 85 1HH1 ARG 85 8.405 -10.934 -2.372 740 HH22 ARG 85 2HH1 ARG 85 9.169 -10.494 -3.863 741 H SER 86 H SER 86 3.092 -5.306 1.236 742 HA SER 86 HA SER 86 0.915 -3.717 -0.069 743 HB2 SER 86 2HB SER 86 0.007 -3.694 2.385 744 HB3 SER 86 1HB SER 86 -0.247 -5.141 1.411 745 HG SER 86 HG SER 86 2.133 -4.960 2.839 746 H ASP 87 H ASP 87 0.619 -1.631 0.946 747 HA ASP 87 HA ASP 87 3.035 -0.189 1.258 748 HB2 ASP 87 2HB ASP 87 1.481 1.604 2.271 749 HB3 ASP 87 1HB ASP 87 1.099 1.062 0.634 750 H ASN 88 H ASN 88 0.931 -1.779 3.548 751 HA ASN 88 HA ASN 88 2.087 -0.699 5.945 752 HB2 ASN 88 2HB ASN 88 -0.083 -1.949 5.861 753 HB3 ASN 88 1HB ASN 88 0.823 -3.430 5.547 754 HD21 ASN 88 1HD2 ASN 88 0.796 -4.598 7.484 755 HD22 ASN 88 2HD2 ASN 88 1.162 -3.947 9.008 756 H ASN 89 H ASN 89 3.015 -3.266 3.727 757 HA ASN 89 HA ASN 89 5.079 -4.347 5.519 758 HB2 ASN 89 2HB ASN 89 3.892 -5.756 3.855 759 HB3 ASN 89 1HB ASN 89 4.551 -4.756 2.564 760 HD21 ASN 89 1HD2 ASN 89 5.485 -7.014 1.944 761 HD22 ASN 89 2HD2 ASN 89 6.990 -7.420 2.614 762 H ILE 90 H ILE 90 4.888 -2.377 2.582 763 HA ILE 90 HA ILE 90 7.718 -1.968 2.303 764 HB ILE 90 HB ILE 90 5.425 -0.239 1.339 765 HG12 ILE 90 2HG1 ILE 90 6.865 -2.469 -0.119 766 HG13 ILE 90 1HG1 ILE 90 5.327 -2.693 0.693 767 HG21 ILE 90 1HG2 ILE 90 8.291 -0.540 0.395 768 HG22 ILE 90 2HG2 ILE 90 7.588 0.883 1.164 769 HG23 ILE 90 3HG2 ILE 90 7.051 0.394 -0.442 770 HD11 ILE 90 3HD1 ILE 90 5.940 -1.058 -1.751 771 HD12 ILE 90 1HD1 ILE 90 4.528 -0.670 -0.761 772 HD13 ILE 90 2HD1 ILE 90 4.678 -2.259 -1.495 773 H ARG 91 H ARG 91 5.126 0.184 3.471 774 HA ARG 91 HA ARG 91 6.707 2.320 4.394 775 HB2 ARG 91 2HB ARG 91 4.169 2.177 4.352 776 HB3 ARG 91 1HB ARG 91 4.270 1.212 5.817 777 HG2 ARG 91 2HG ARG 91 5.627 3.142 6.827 778 HG3 ARG 91 1HG ARG 91 5.112 4.092 5.434 779 HD2 ARG 91 2HD ARG 91 2.725 3.465 6.030 780 HD3 ARG 91 1HD ARG 91 3.360 2.809 7.539 781 HE ARG 91 HE ARG 91 4.369 5.415 7.385 782 HH11 ARG 91 1HH2 ARG 91 1.305 3.833 7.367 783 HH12 ARG 91 2HH2 ARG 91 0.470 5.151 8.118 784 HH21 ARG 91 1HH1 ARG 91 3.295 7.146 8.366 785 HH22 ARG 91 2HH1 ARG 91 1.598 7.027 8.683 786 H ASN 92 H ASN 92 6.054 -0.813 5.803 787 HA ASN 92 HA ASN 92 7.323 -0.182 8.368 788 HB2 ASN 92 2HB ASN 92 5.507 -1.822 8.271 789 HB3 ASN 92 1HB ASN 92 6.448 -2.826 7.168 790 HD21 ASN 92 1HD2 ASN 92 5.638 -2.545 10.395 791 HD22 ASN 92 2HD2 ASN 92 6.980 -3.324 11.084 792 H ARG 93 H ARG 93 8.229 -2.077 5.449 793 HA ARG 93 HA ARG 93 10.778 -2.855 6.595 794 HB2 ARG 93 2HB ARG 93 9.764 -4.167 4.800 795 HB3 ARG 93 1HB ARG 93 9.882 -2.791 3.703 796 HG2 ARG 93 2HG ARG 93 12.233 -2.917 3.578 797 HG3 ARG 93 1HG ARG 93 12.370 -3.807 5.093 798 HD2 ARG 93 2HD ARG 93 11.742 -5.839 4.104 799 HD3 ARG 93 1HD ARG 93 10.952 -5.056 2.740 800 HE ARG 93 HE ARG 93 13.032 -5.051 1.646 801 HH11 ARG 93 1HH2 ARG 93 13.388 -5.324 5.066 802 HH12 ARG 93 2HH2 ARG 93 15.111 -5.486 5.007 803 HH21 ARG 93 1HH1 ARG 93 15.281 -5.257 1.553 804 HH22 ARG 93 2HH1 ARG 93 16.183 -5.448 3.019 805 H TRP 94 H TRP 94 9.767 -0.251 4.403 806 HA TRP 94 HA TRP 94 12.362 0.762 3.838 807 HB2 TRP 94 2HB TRP 94 10.354 1.486 2.602 808 HB3 TRP 94 1HB TRP 94 9.734 2.264 4.058 809 HD1 TRP 94 HD TRP 94 12.652 2.506 1.565 810 HE1 TRP 94 1HE TRP 94 13.570 4.915 1.617 811 HE3 TRP 94 3HE TRP 94 9.867 4.429 5.390 812 HZ2 TRP 94 2HZ TRP 94 13.175 7.337 3.087 813 HZ3 TRP 94 3HZ TRP 94 10.158 6.787 6.095 814 HH2 TRP 94 HH TRP 94 11.807 8.242 4.950 815 H MET 95 H MET 95 9.987 1.808 6.308 816 HA MET 95 HA MET 95 11.770 3.653 7.584 817 HB2 MET 95 2HB MET 95 9.290 3.638 7.891 818 HB3 MET 95 1HB MET 95 9.447 2.147 8.822 819 HG2 MET 95 2HG MET 95 10.759 3.248 10.513 820 HG3 MET 95 1HG MET 95 10.903 4.706 9.532 821 HE1 MET 95 3HE MET 95 10.279 5.761 11.835 822 HE2 MET 95 1HE MET 95 9.743 4.293 12.665 823 HE3 MET 95 2HE MET 95 8.687 5.702 12.588 824 H MET 96 H MET 96 11.648 0.213 7.614 825 HA MET 96 HA MET 96 12.928 -0.098 10.231 826 HB2 MET 96 2HB MET 96 11.473 -1.879 9.331 827 HB3 MET 96 1HB MET 96 12.562 -2.080 7.960 828 HG2 MET 96 2HG MET 96 14.351 -2.821 9.385 829 HG3 MET 96 1HG MET 96 13.453 -2.379 10.838 830 HE1 MET 96 3HE MET 96 13.237 -6.064 11.462 831 HE2 MET 96 1HE MET 96 13.598 -4.432 12.042 832 HE3 MET 96 2HE MET 96 14.641 -5.197 10.845 833 H ILE 97 H ILE 97 13.910 -0.455 6.813 834 HA ILE 97 HA ILE 97 16.727 -0.701 7.607 835 HB ILE 97 HB ILE 97 17.179 -1.042 5.254 836 HG12 ILE 97 2HG1 ILE 97 14.318 -0.103 4.857 837 HG13 ILE 97 1HG1 ILE 97 15.776 0.682 4.260 838 HG21 ILE 97 1HG2 ILE 97 16.037 -2.858 6.644 839 HG22 ILE 97 2HG2 ILE 97 15.886 -3.026 4.896 840 HG23 ILE 97 3HG2 ILE 97 14.536 -2.399 5.840 841 HD11 ILE 97 3HD1 ILE 97 16.239 -1.498 2.980 842 HD12 ILE 97 1HD1 ILE 97 14.915 -0.495 2.389 843 HD13 ILE 97 2HD1 ILE 97 14.569 -1.933 3.349 844 H ALA 98 H ALA 98 14.555 1.764 6.410 845 HA ALA 98 HA ALA 98 16.612 3.593 5.539 846 HB1 ALA 98 1HB ALA 98 14.834 5.256 5.446 847 HB2 ALA 98 2HB ALA 98 13.781 4.227 6.415 848 HB3 ALA 98 3HB ALA 98 14.239 3.734 4.784 849 H ARG 99 H ARG 99 15.490 2.663 8.645 850 HA ARG 99 HA ARG 99 16.035 5.181 9.967 851 HB2 ARG 99 2HB ARG 99 15.582 4.052 11.997 852 HB3 ARG 99 1HB ARG 99 14.571 3.212 10.825 853 HG2 ARG 99 2HG ARG 99 16.578 1.584 10.562 854 HG3 ARG 99 1HG ARG 99 17.180 2.298 12.053 855 HD2 ARG 99 2HD ARG 99 14.499 0.928 11.682 856 HD3 ARG 99 1HD ARG 99 15.879 0.297 12.582 857 HE ARG 99 HE ARG 99 15.353 2.752 13.773 858 HH11 ARG 99 1HH2 ARG 99 13.595 -0.119 13.022 859 HH12 ARG 99 2HH2 ARG 99 12.521 0.026 14.373 860 HH21 ARG 99 1HH1 ARG 99 13.959 2.958 15.541 861 HH22 ARG 99 2HH1 ARG 99 12.727 1.768 15.798 862 H HIS 100 H HIS 100 17.864 2.554 8.793 863 HA HIS 100 HA HIS 100 20.226 3.057 10.458 864 HB2 HIS 100 2HB HIS 100 19.603 1.241 8.118 865 HB3 HIS 100 1HB HIS 100 21.230 1.374 8.783 866 HD1 HIS 100 1HD HIS 100 20.186 1.698 11.807 867 HD2 HIS 100 2HD HIS 100 19.170 -1.367 9.165 868 HE1 HIS 100 1HE HIS 100 19.452 -0.264 13.233 869 HE2 HIS 100 2HE HIS 100 18.832 -2.135 11.635 870 H ARG 101 H ARG 101 18.999 3.873 7.267 871 HA ARG 101 HA ARG 101 21.545 5.025 6.371 872 HB2 ARG 101 2HB ARG 101 18.751 5.226 5.201 873 HB3 ARG 101 1HB ARG 101 20.235 5.751 4.405 874 HG2 ARG 101 2HG ARG 101 21.094 3.384 4.651 875 HG3 ARG 101 1HG ARG 101 19.478 2.927 5.191 876 HD2 ARG 101 2HD ARG 101 20.239 4.109 2.507 877 HD3 ARG 101 1HD ARG 101 19.607 2.492 2.817 878 HE ARG 101 HE ARG 101 17.671 4.238 3.824 879 HH11 ARG 101 1HH2 ARG 101 19.290 3.641 0.839 880 HH12 ARG 101 2HH2 ARG 101 17.953 4.145 -0.140 881 HH21 ARG 101 1HH1 ARG 101 15.916 4.900 2.563 882 HH22 ARG 101 2HH1 ARG 101 16.043 4.858 0.836 883 H ALA 102 H ALA 102 18.803 6.040 8.188 884 HA ALA 102 HA ALA 102 18.945 8.866 7.593 885 HB1 ALA 102 1HB ALA 102 16.924 7.921 8.574 886 HB2 ALA 102 2HB ALA 102 17.605 9.099 9.696 887 HB3 ALA 102 3HB ALA 102 17.827 7.373 9.985 888 H LYS 103 H LYS 103 20.784 6.724 9.605 889 HA LYS 103 HA LYS 103 21.811 8.774 11.396 890 HB2 LYS 103 2HB LYS 103 22.646 5.940 10.739 891 HB3 LYS 103 1HB LYS 103 23.527 6.940 11.894 892 HG2 LYS 103 2HG LYS 103 21.460 7.235 13.215 893 HG3 LYS 103 1HG LYS 103 20.584 6.225 12.063 894 HD2 LYS 103 2HD LYS 103 22.076 4.332 12.574 895 HD3 LYS 103 1HD LYS 103 22.966 5.338 13.720 896 HE2 LYS 103 2HE LYS 103 20.894 5.651 15.040 897 HE3 LYS 103 1HE LYS 103 20.027 4.611 13.909 898 HZ1 LYS 103 3HZ LYS 103 21.804 2.902 14.443 899 HZ2 LYS 103 1HZ LYS 103 20.656 3.216 15.652 900 HZ3 LYS 103 2HZ LYS 103 22.211 3.888 15.766 901 H HIS 104 H HIS 104 22.033 9.024 8.348 902 HA HIS 104 HA HIS 104 23.616 9.743 6.776 903 HB2 HIS 104 2HB HIS 104 24.829 10.715 9.376 904 HB3 HIS 104 1HB HIS 104 25.446 11.167 7.788 905 HD1 HIS 104 1HD HIS 104 24.595 13.598 8.991 906 HD2 HIS 104 2HD HIS 104 21.708 11.034 7.412 907 HE1 HIS 104 1HE HIS 104 22.516 15.000 8.618 908 HE2 HIS 104 2HE HIS 104 20.754 13.449 7.658 909 H GLN 105 H GLN 105 23.926 7.021 7.966 910 HA GLN 105 HA GLN 105 26.779 6.538 8.251 911 HB2 GLN 105 2HB GLN 105 25.068 5.068 9.284 912 HB3 GLN 105 1HB GLN 105 24.523 4.593 7.675 913 HG2 GLN 105 2HG GLN 105 26.651 3.581 7.169 914 HG3 GLN 105 1HG GLN 105 27.372 4.238 8.640 915 HE21 GLN 105 1HE2 GLN 105 27.591 2.620 10.185 916 HE22 GLN 105 2HE2 GLN 105 26.474 1.373 10.460 917 H LYS 106 H LYS 106 27.679 7.443 6.319 918 HA LYS 106 HA LYS 106 28.478 7.380 4.137 919 HB2 LYS 106 2HB LYS 106 27.412 4.560 4.024 920 HB3 LYS 106 1HB LYS 106 28.783 5.243 3.156 921 HG2 LYS 106 2HG LYS 106 28.596 4.759 6.143 922 HG3 LYS 106 1HG LYS 106 29.613 3.889 4.997 923 HD2 LYS 106 2HD LYS 106 30.658 6.192 4.451 924 HD3 LYS 106 1HD LYS 106 29.869 6.756 5.925 925 HE2 LYS 106 2HE LYS 106 32.121 6.081 6.497 926 HE3 LYS 106 1HE LYS 106 31.007 4.890 7.169 927 HZ1 LYS 106 3HZ LYS 106 33.072 4.517 5.276 928 HZ2 LYS 106 1HZ LYS 106 31.587 4.068 4.590 929 HZ3 LYS 106 2HZ LYS 106 32.102 3.351 6.042 930 H SER 107 H SER 107 25.142 6.687 4.743 931 HA SER 107 HA SER 107 24.239 6.524 2.026 932 HB2 SER 107 2HB SER 107 22.703 5.825 3.707 933 HB3 SER 107 1HB SER 107 22.891 7.325 4.610 934 HG SER 107 HG SER 107 22.064 7.561 1.973 Start of MODEL 17 1 H1 LYS 1 1HT LYS 1 0.009 6.937 -0.760 2 H2 LYS 1 2HT LYS 1 0.791 6.526 0.691 3 H3 LYS 1 3HT LYS 1 0.720 8.148 0.190 4 HA LYS 1 HA LYS 1 -1.226 6.568 1.605 5 HB2 LYS 1 2HB LYS 1 -0.109 8.699 2.377 6 HB3 LYS 1 1HB LYS 1 -1.005 9.554 1.122 7 HG2 LYS 1 2HG LYS 1 -3.112 9.015 2.125 8 HG3 LYS 1 1HG LYS 1 -2.371 7.847 3.219 9 HD2 LYS 1 2HD LYS 1 -1.199 9.621 4.399 10 HD3 LYS 1 1HD LYS 1 -1.775 10.819 3.239 11 HE2 LYS 1 2HE LYS 1 -4.113 10.317 3.908 12 HE3 LYS 1 1HE LYS 1 -3.507 9.173 5.107 13 HZ1 LYS 1 2HZ LYS 1 -2.325 10.961 6.191 14 HZ2 LYS 1 3HZ LYS 1 -3.974 11.351 6.071 15 HZ3 LYS 1 1HZ LYS 1 -2.855 12.070 5.018 16 H VAL 2 H VAL 2 -3.568 7.145 1.373 17 HA VAL 2 HA VAL 2 -4.352 7.701 -1.478 18 HB VAL 2 HB VAL 2 -5.682 5.742 0.423 19 HG11 VAL 2 1HG1 VAL 2 -7.291 6.500 -1.162 20 HG12 VAL 2 2HG1 VAL 2 -6.702 4.975 -1.815 21 HG13 VAL 2 3HG1 VAL 2 -6.117 6.500 -2.477 22 HG21 VAL 2 3HG2 VAL 2 -3.525 4.841 -0.149 23 HG22 VAL 2 1HG2 VAL 2 -3.706 5.324 -1.837 24 HG23 VAL 2 2HG2 VAL 2 -4.706 4.029 -1.177 25 H LYS 3 H LYS 3 -6.712 8.407 -1.581 26 HA LYS 3 HA LYS 3 -7.166 10.732 -0.100 27 HB2 LYS 3 2HB LYS 3 -9.207 8.849 -1.318 28 HB3 LYS 3 1HB LYS 3 -9.563 10.486 -0.768 29 HG2 LYS 3 2HG LYS 3 -8.002 11.426 -2.372 30 HG3 LYS 3 1HG LYS 3 -7.463 9.815 -2.847 31 HD2 LYS 3 2HD LYS 3 -9.667 9.288 -3.735 32 HD3 LYS 3 1HD LYS 3 -10.305 10.825 -3.152 33 HE2 LYS 3 2HE LYS 3 -9.816 11.068 -5.512 34 HE3 LYS 3 1HE LYS 3 -8.621 11.997 -4.608 35 HZ1 LYS 3 3HZ LYS 3 -8.277 9.636 -6.233 36 HZ2 LYS 3 1HZ LYS 3 -7.463 9.581 -4.745 37 HZ3 LYS 3 2HZ LYS 3 -7.162 10.853 -5.831 38 H PHE 4 H PHE 4 -8.540 7.485 0.561 39 HA PHE 4 HA PHE 4 -9.674 8.417 3.092 40 HB2 PHE 4 2HB PHE 4 -10.156 5.950 3.422 41 HB3 PHE 4 1HB PHE 4 -10.928 6.700 2.044 42 HD1 PHE 4 1HD PHE 4 -8.078 4.543 3.092 43 HD2 PHE 4 2HD PHE 4 -10.438 6.018 -0.180 44 HE1 PHE 4 1HE PHE 4 -7.032 2.874 1.575 45 HE2 PHE 4 2HE PHE 4 -9.394 4.351 -1.694 46 HZ PHE 4 HZ PHE 4 -7.698 2.784 -0.815 47 H THR 5 H THR 5 -9.111 7.398 5.162 48 HA THR 5 HA THR 5 -6.175 7.302 5.493 49 HB THR 5 HB THR 5 -7.321 8.697 7.068 50 HG1 THR 5 1HG THR 5 -6.061 7.918 8.526 51 HG21 THR 5 3HG2 THR 5 -9.556 7.828 6.929 52 HG22 THR 5 1HG2 THR 5 -9.037 7.670 8.605 53 HG23 THR 5 2HG2 THR 5 -9.043 6.261 7.549 54 H GLU 6 H GLU 6 -5.231 5.673 6.873 55 HA GLU 6 HA GLU 6 -5.542 3.055 6.005 56 HB2 GLU 6 2HB GLU 6 -3.680 4.051 7.455 57 HB3 GLU 6 1HB GLU 6 -4.727 3.746 8.839 58 HG2 GLU 6 2HG GLU 6 -4.882 1.343 8.066 59 HG3 GLU 6 1HG GLU 6 -3.621 1.716 6.890 60 H GLU 7 H GLU 7 -7.146 4.600 8.802 61 HA GLU 7 HA GLU 7 -8.428 2.386 9.931 62 HB2 GLU 7 2HB GLU 7 -9.733 5.084 9.474 63 HB3 GLU 7 1HB GLU 7 -10.146 3.910 10.722 64 HG2 GLU 7 2HG GLU 7 -7.453 5.282 10.460 65 HG3 GLU 7 1HG GLU 7 -8.714 5.745 11.602 66 H GLU 8 H GLU 8 -9.290 4.177 6.998 67 HA GLU 8 HA GLU 8 -11.791 2.832 6.542 68 HB2 GLU 8 2HB GLU 8 -10.902 4.988 5.458 69 HB3 GLU 8 1HB GLU 8 -9.941 3.932 4.424 70 HG2 GLU 8 2HG GLU 8 -11.966 4.422 3.232 71 HG3 GLU 8 1HG GLU 8 -12.093 2.757 3.797 72 H ASP 9 H ASP 9 -8.484 2.340 5.302 73 HA ASP 9 HA ASP 9 -8.877 0.161 3.595 74 HB2 ASP 9 2HB ASP 9 -6.656 1.127 3.942 75 HB3 ASP 9 1HB ASP 9 -6.623 0.515 5.594 76 H LEU 10 H LEU 10 -9.098 0.219 7.082 77 HA LEU 10 HA LEU 10 -9.120 -2.677 7.402 78 HB2 LEU 10 2HB LEU 10 -10.475 -0.803 9.352 79 HB3 LEU 10 1HB LEU 10 -9.540 -2.263 9.681 80 HG LEU 10 HG LEU 10 -8.449 0.390 8.728 81 HD11 LEU 10 1HD1 LEU 10 -9.096 0.298 11.111 82 HD12 LEU 10 2HD1 LEU 10 -7.352 0.458 10.901 83 HD13 LEU 10 3HD1 LEU 10 -8.049 -1.106 11.320 84 HD21 LEU 10 3HD2 LEU 10 -6.218 -0.776 9.129 85 HD22 LEU 10 1HD2 LEU 10 -7.109 -1.318 7.708 86 HD23 LEU 10 2HD2 LEU 10 -7.123 -2.288 9.180 87 H LYS 11 H LYS 11 -11.501 -0.091 7.022 88 HA LYS 11 HA LYS 11 -13.861 -1.665 7.317 89 HB2 LYS 11 2HB LYS 11 -13.466 0.656 5.401 90 HB3 LYS 11 1HB LYS 11 -14.996 0.084 6.054 91 HG2 LYS 11 2HG LYS 11 -12.754 1.085 7.830 92 HG3 LYS 11 1HG LYS 11 -13.983 2.159 7.171 93 HD2 LYS 11 2HD LYS 11 -15.728 0.615 8.208 94 HD3 LYS 11 1HD LYS 11 -14.399 -0.184 9.049 95 HE2 LYS 11 2HE LYS 11 -13.759 1.933 10.102 96 HE3 LYS 11 1HE LYS 11 -15.036 2.774 9.224 97 HZ1 LYS 11 3HZ LYS 11 -16.355 2.276 10.919 98 HZ2 LYS 11 1HZ LYS 11 -15.205 1.243 11.616 99 HZ3 LYS 11 2HZ LYS 11 -16.274 0.648 10.437 100 H LEU 12 H LEU 12 -11.770 -1.050 4.497 101 HA LEU 12 HA LEU 12 -13.293 -2.360 2.525 102 HB2 LEU 12 2HB LEU 12 -10.342 -1.950 2.948 103 HB3 LEU 12 1HB LEU 12 -10.868 -2.999 1.638 104 HG LEU 12 HG LEU 12 -12.209 -1.179 0.688 105 HD11 LEU 12 1HD1 LEU 12 -11.949 1.119 1.683 106 HD12 LEU 12 2HD1 LEU 12 -11.175 0.370 3.074 107 HD13 LEU 12 3HD1 LEU 12 -12.858 0.004 2.702 108 HD21 LEU 12 3HD2 LEU 12 -9.332 -0.501 1.360 109 HD22 LEU 12 1HD2 LEU 12 -10.287 0.409 0.190 110 HD23 LEU 12 2HD2 LEU 12 -9.935 -1.296 -0.095 111 H GLN 13 H GLN 13 -10.900 -3.759 4.811 112 HA GLN 13 HA GLN 13 -11.009 -6.419 3.893 113 HB2 GLN 13 2HB GLN 13 -9.519 -5.607 5.718 114 HB3 GLN 13 1HB GLN 13 -10.916 -5.508 6.788 115 HG2 GLN 13 2HG GLN 13 -11.296 -7.930 6.539 116 HG3 GLN 13 1HG GLN 13 -9.919 -8.040 5.442 117 HE21 GLN 13 1HE2 GLN 13 -10.212 -6.143 8.477 118 HE22 GLN 13 2HE2 GLN 13 -8.923 -6.916 9.266 119 H GLN 14 H GLN 14 -13.281 -4.694 6.017 120 HA GLN 14 HA GLN 14 -14.941 -7.094 6.409 121 HB2 GLN 14 2HB GLN 14 -15.639 -4.211 6.969 122 HB3 GLN 14 1HB GLN 14 -16.422 -5.646 7.631 123 HG2 GLN 14 2HG GLN 14 -14.243 -6.291 8.683 124 HG3 GLN 14 1HG GLN 14 -13.564 -4.763 8.123 125 HE21 GLN 14 1HE2 GLN 14 -13.883 -2.958 9.461 126 HE22 GLN 14 2HE2 GLN 14 -14.956 -2.917 10.776 127 H LEU 15 H LEU 15 -15.521 -3.960 4.747 128 HA LEU 15 HA LEU 15 -18.018 -4.700 3.622 129 HB2 LEU 15 2HB LEU 15 -15.948 -2.866 2.375 130 HB3 LEU 15 1HB LEU 15 -17.680 -2.852 2.066 131 HG LEU 15 HG LEU 15 -16.455 -2.339 4.794 132 HD11 LEU 15 1HD1 LEU 15 -17.457 -0.362 2.724 133 HD12 LEU 15 2HD1 LEU 15 -15.771 -0.602 3.184 134 HD13 LEU 15 3HD1 LEU 15 -16.922 0.043 4.355 135 HD21 LEU 15 3HD2 LEU 15 -18.783 -1.254 5.103 136 HD22 LEU 15 1HD2 LEU 15 -18.724 -3.014 5.075 137 HD23 LEU 15 2HD2 LEU 15 -19.254 -2.127 3.647 138 H VAL 16 H VAL 16 -14.784 -4.769 2.147 139 HA VAL 16 HA VAL 16 -15.535 -6.010 -0.274 140 HB VAL 16 HB VAL 16 -12.926 -6.420 1.215 141 HG11 VAL 16 1HG1 VAL 16 -13.129 -7.925 -0.645 142 HG12 VAL 16 2HG1 VAL 16 -12.070 -6.612 -1.153 143 HG13 VAL 16 3HG1 VAL 16 -13.746 -6.643 -1.684 144 HG21 VAL 16 3HG2 VAL 16 -13.689 -3.971 0.860 145 HG22 VAL 16 1HG2 VAL 16 -13.519 -4.291 -0.858 146 HG23 VAL 16 2HG2 VAL 16 -12.117 -4.407 0.201 147 H MET 17 H MET 17 -14.913 -7.402 2.945 148 HA MET 17 HA MET 17 -14.827 -10.126 2.031 149 HB2 MET 17 2HB MET 17 -14.018 -9.634 4.241 150 HB3 MET 17 1HB MET 17 -15.543 -8.884 4.701 151 HG2 MET 17 2HG MET 17 -16.684 -10.973 4.701 152 HG3 MET 17 1HG MET 17 -15.352 -11.780 3.874 153 HE1 MET 17 3HE MET 17 -15.939 -13.489 5.619 154 HE2 MET 17 1HE MET 17 -16.815 -12.629 6.892 155 HE3 MET 17 2HE MET 17 -15.339 -13.512 7.276 156 H ARG 18 H ARG 18 -17.424 -7.860 2.758 157 HA ARG 18 HA ARG 18 -19.518 -9.909 2.669 158 HB2 ARG 18 2HB ARG 18 -19.753 -7.775 3.951 159 HB3 ARG 18 1HB ARG 18 -19.762 -6.895 2.422 160 HG2 ARG 18 2HG ARG 18 -21.780 -8.014 1.708 161 HG3 ARG 18 1HG ARG 18 -21.722 -9.105 3.093 162 HD2 ARG 18 2HD ARG 18 -21.957 -6.097 3.352 163 HD3 ARG 18 1HD ARG 18 -23.346 -7.184 3.348 164 HE ARG 18 HE ARG 18 -21.637 -8.200 5.311 165 HH11 ARG 18 1HH2 ARG 18 -23.224 -5.226 4.580 166 HH12 ARG 18 2HH2 ARG 18 -23.392 -4.755 6.239 167 HH21 ARG 18 1HH1 ARG 18 -21.848 -7.601 7.480 168 HH22 ARG 18 2HH1 ARG 18 -22.613 -6.099 7.880 169 H TYR 19 H TYR 19 -17.898 -7.801 0.381 170 HA TYR 19 HA TYR 19 -19.854 -8.505 -1.772 171 HB2 TYR 19 2HB TYR 19 -17.548 -6.529 -1.745 172 HB3 TYR 19 1HB TYR 19 -18.679 -6.769 -3.075 173 HD1 TYR 19 2HD TYR 19 -21.246 -6.680 -2.377 174 HD2 TYR 19 1HD TYR 19 -18.052 -4.818 -0.188 175 HE1 TYR 19 2HE TYR 19 -22.872 -5.162 -1.291 176 HE2 TYR 19 1HE TYR 19 -19.682 -3.305 0.898 177 HH TYR 19 HH TYR 19 -21.796 -2.628 0.970 178 H GLY 20 H GLY 20 -16.972 -9.599 -0.467 179 HA2 GLY 20 2HA GLY 20 -15.638 -11.402 -1.222 180 HA3 GLY 20 1HA GLY 20 -16.467 -11.329 -2.778 181 H ALA 21 H ALA 21 -15.978 -9.275 -4.043 182 HA ALA 21 HA ALA 21 -13.933 -7.488 -3.865 183 HB1 ALA 21 1HB ALA 21 -12.804 -10.239 -4.341 184 HB2 ALA 21 2HB ALA 21 -12.142 -8.923 -3.371 185 HB3 ALA 21 3HB ALA 21 -12.020 -8.865 -5.123 186 H LYS 22 H LYS 22 -16.236 -7.606 -5.317 187 HA LYS 22 HA LYS 22 -15.219 -7.249 -8.074 188 HB2 LYS 22 2HB LYS 22 -16.837 -8.745 -9.089 189 HB3 LYS 22 1HB LYS 22 -15.854 -9.646 -7.934 190 HG2 LYS 22 2HG LYS 22 -17.697 -9.199 -6.219 191 HG3 LYS 22 1HG LYS 22 -18.688 -8.642 -7.567 192 HD2 LYS 22 2HD LYS 22 -17.456 -11.397 -7.249 193 HD3 LYS 22 1HD LYS 22 -19.169 -10.994 -7.141 194 HE2 LYS 22 2HE LYS 22 -17.390 -10.993 -9.580 195 HE3 LYS 22 1HE LYS 22 -18.936 -11.807 -9.348 196 HZ1 LYS 22 3HZ LYS 22 -18.381 -9.036 -10.040 197 HZ2 LYS 22 1HZ LYS 22 -19.677 -9.297 -8.976 198 HZ3 LYS 22 2HZ LYS 22 -19.673 -10.037 -10.505 199 H ASP 23 H ASP 23 -17.400 -6.365 -5.603 200 HA ASP 23 HA ASP 23 -19.115 -4.816 -7.519 201 HB2 ASP 23 2HB ASP 23 -19.660 -5.237 -4.570 202 HB3 ASP 23 1HB ASP 23 -20.790 -4.760 -5.837 203 H TRP 24 H TRP 24 -16.577 -3.867 -7.175 204 HA TRP 24 HA TRP 24 -16.214 -2.071 -4.983 205 HB2 TRP 24 2HB TRP 24 -15.094 -1.887 -7.794 206 HB3 TRP 24 1HB TRP 24 -14.477 -1.033 -6.377 207 HD1 TRP 24 HD TRP 24 -14.376 -4.382 -8.103 208 HE1 TRP 24 1HE TRP 24 -12.867 -5.981 -6.743 209 HE3 TRP 24 3HE TRP 24 -13.767 -1.600 -3.912 210 HZ2 TRP 24 2HZ TRP 24 -11.561 -6.036 -4.177 211 HZ3 TRP 24 3HZ TRP 24 -12.386 -2.408 -2.029 212 HH2 TRP 24 HH TRP 24 -11.291 -4.624 -2.147 213 H ILE 25 H ILE 25 -17.989 -1.780 -7.981 214 HA ILE 25 HA ILE 25 -18.204 1.068 -8.004 215 HB ILE 25 HB ILE 25 -20.371 0.540 -9.320 216 HG12 ILE 25 2HG1 ILE 25 -19.250 -2.274 -9.180 217 HG13 ILE 25 1HG1 ILE 25 -20.624 -1.733 -8.219 218 HG21 ILE 25 1HG2 ILE 25 -18.212 1.008 -10.414 219 HG22 ILE 25 2HG2 ILE 25 -19.090 -0.252 -11.281 220 HG23 ILE 25 3HG2 ILE 25 -17.745 -0.683 -10.225 221 HD11 ILE 25 3HD1 ILE 25 -21.358 -2.842 -10.308 222 HD12 ILE 25 1HD1 ILE 25 -20.469 -1.641 -11.244 223 HD13 ILE 25 2HD1 ILE 25 -21.851 -1.150 -10.264 224 H ARG 26 H ARG 26 -19.903 -1.501 -6.320 225 HA ARG 26 HA ARG 26 -21.986 0.236 -5.314 226 HB2 ARG 26 2HB ARG 26 -21.921 -2.407 -5.578 227 HB3 ARG 26 1HB ARG 26 -21.221 -2.355 -3.963 228 HG2 ARG 26 2HG ARG 26 -23.900 -1.203 -4.812 229 HG3 ARG 26 1HG ARG 26 -23.642 -2.613 -3.787 230 HD2 ARG 26 2HD ARG 26 -22.358 -1.037 -2.213 231 HD3 ARG 26 1HD ARG 26 -23.052 0.282 -3.156 232 HE ARG 26 HE ARG 26 -25.104 -0.124 -2.079 233 HH11 ARG 26 1HH2 ARG 26 -22.997 -2.847 -1.891 234 HH12 ARG 26 2HH2 ARG 26 -24.046 -3.754 -0.853 235 HH21 ARG 26 1HH1 ARG 26 -26.484 -1.292 -0.724 236 HH22 ARG 26 2HH1 ARG 26 -26.019 -2.873 -0.192 237 H ILE 27 H ILE 27 -19.143 -1.358 -3.855 238 HA ILE 27 HA ILE 27 -19.253 -0.123 -1.346 239 HB ILE 27 HB ILE 27 -16.756 -0.732 -2.946 240 HG12 ILE 27 2HG1 ILE 27 -18.227 -2.477 -0.954 241 HG13 ILE 27 1HG1 ILE 27 -18.412 -2.633 -2.699 242 HG21 ILE 27 1HG2 ILE 27 -15.795 -1.045 -0.627 243 HG22 ILE 27 2HG2 ILE 27 -17.286 -0.357 0.014 244 HG23 ILE 27 3HG2 ILE 27 -16.233 0.617 -1.012 245 HD11 ILE 27 3HD1 ILE 27 -15.919 -3.085 -1.051 246 HD12 ILE 27 1HD1 ILE 27 -15.867 -2.901 -2.802 247 HD13 ILE 27 2HD1 ILE 27 -16.758 -4.239 -2.085 248 H SER 28 H SER 28 -18.178 1.134 -4.432 249 HA SER 28 HA SER 28 -16.934 3.515 -3.341 250 HB2 SER 28 2HB SER 28 -17.837 2.709 -6.109 251 HB3 SER 28 1HB SER 28 -17.159 4.300 -5.775 252 HG SER 28 HG SER 28 -15.292 3.290 -5.026 253 H GLN 29 H GLN 29 -20.219 2.622 -4.271 254 HA GLN 29 HA GLN 29 -21.264 5.300 -4.457 255 HB2 GLN 29 2HB GLN 29 -22.582 2.684 -3.654 256 HB3 GLN 29 1HB GLN 29 -23.472 4.201 -3.748 257 HG2 GLN 29 2HG GLN 29 -22.552 4.381 -6.160 258 HG3 GLN 29 1HG GLN 29 -22.122 2.688 -5.982 259 HE21 GLN 29 1HE2 GLN 29 -24.045 1.244 -5.177 260 HE22 GLN 29 2HE2 GLN 29 -25.571 1.598 -5.830 261 H LEU 30 H LEU 30 -20.897 3.050 -1.729 262 HA LEU 30 HA LEU 30 -22.076 4.698 0.268 263 HB2 LEU 30 2HB LEU 30 -19.658 2.945 0.775 264 HB3 LEU 30 1HB LEU 30 -20.996 3.304 1.865 265 HG LEU 30 HG LEU 30 -21.110 1.620 -0.654 266 HD11 LEU 30 1HD1 LEU 30 -21.627 0.927 2.252 267 HD12 LEU 30 2HD1 LEU 30 -20.129 0.571 1.390 268 HD13 LEU 30 3HD1 LEU 30 -21.639 -0.191 0.887 269 HD21 LEU 30 3HD2 LEU 30 -23.194 2.795 -0.563 270 HD22 LEU 30 1HD2 LEU 30 -23.288 2.640 1.191 271 HD23 LEU 30 2HD2 LEU 30 -23.512 1.223 0.165 272 H MET 31 H MET 31 -18.720 4.478 -0.881 273 HA MET 31 HA MET 31 -18.147 7.148 0.393 274 HB2 MET 31 2HB MET 31 -16.227 4.873 -0.194 275 HB3 MET 31 1HB MET 31 -15.808 6.418 0.547 276 HG2 MET 31 2HG MET 31 -17.830 4.483 1.710 277 HG3 MET 31 1HG MET 31 -16.140 4.558 2.209 278 HE1 MET 31 3HE MET 31 -17.921 4.685 4.385 279 HE2 MET 31 1HE MET 31 -17.635 6.183 5.281 280 HE3 MET 31 2HE MET 31 -16.276 5.251 4.660 281 H ILE 32 H ILE 32 -19.179 7.750 -1.838 282 HA ILE 32 HA ILE 32 -17.797 7.276 -4.269 283 HB ILE 32 HB ILE 32 -18.831 9.500 -5.004 284 HG12 ILE 32 2HG1 ILE 32 -20.585 10.385 -3.427 285 HG13 ILE 32 1HG1 ILE 32 -19.916 9.366 -2.163 286 HG21 ILE 32 1HG2 ILE 32 -20.653 7.466 -3.691 287 HG22 ILE 32 2HG2 ILE 32 -19.939 7.309 -5.297 288 HG23 ILE 32 3HG2 ILE 32 -21.107 8.590 -4.971 289 HD11 ILE 32 3HD1 ILE 32 -18.062 11.236 -3.619 290 HD12 ILE 32 1HD1 ILE 32 -17.995 10.655 -1.954 291 HD13 ILE 32 2HD1 ILE 32 -19.159 11.893 -2.408 292 H THR 33 H THR 33 -16.543 8.705 -1.562 293 HA THR 33 HA THR 33 -15.061 10.887 -2.761 294 HB THR 33 HB THR 33 -13.830 10.937 -0.663 295 HG1 THR 33 1HG THR 33 -14.354 9.211 0.866 296 HG21 THR 33 3HG2 THR 33 -16.242 11.698 -0.733 297 HG22 THR 33 1HG2 THR 33 -15.657 11.245 0.868 298 HG23 THR 33 2HG2 THR 33 -16.680 10.135 -0.042 299 H ARG 34 H ARG 34 -14.886 7.686 -3.408 300 HA ARG 34 HA ARG 34 -12.085 7.916 -4.355 301 HB2 ARG 34 2HB ARG 34 -11.349 5.868 -3.293 302 HB3 ARG 34 1HB ARG 34 -11.986 6.932 -2.040 303 HG2 ARG 34 2HG ARG 34 -14.265 5.628 -2.578 304 HG3 ARG 34 1HG ARG 34 -13.156 4.390 -3.149 305 HD2 ARG 34 2HD ARG 34 -12.010 4.427 -0.946 306 HD3 ARG 34 1HD ARG 34 -13.153 5.645 -0.385 307 HE ARG 34 HE ARG 34 -14.733 3.520 -1.285 308 HH11 ARG 34 1HH2 ARG 34 -12.200 4.061 0.990 309 HH12 ARG 34 2HH2 ARG 34 -12.741 2.833 2.085 310 HH21 ARG 34 1HH1 ARG 34 -15.454 1.915 0.133 311 HH22 ARG 34 2HH1 ARG 34 -14.583 1.619 1.600 312 H ASN 35 H ASN 35 -11.639 6.409 -6.068 313 HA ASN 35 HA ASN 35 -14.066 5.520 -7.466 314 HB2 ASN 35 2HB ASN 35 -11.142 5.738 -8.172 315 HB3 ASN 35 1HB ASN 35 -12.224 4.824 -9.215 316 HD21 ASN 35 1HD2 ASN 35 -13.080 6.078 -10.872 317 HD22 ASN 35 2HD2 ASN 35 -13.381 7.746 -10.784 318 HA PRO 36 HA PRO 36 -14.037 1.292 -6.263 319 HB2 PRO 36 2HB PRO 36 -14.123 0.012 -8.805 320 HB3 PRO 36 1HB PRO 36 -15.516 0.524 -7.845 321 HG2 PRO 36 2HG PRO 36 -14.204 1.896 -10.133 322 HG3 PRO 36 1HG PRO 36 -15.917 1.852 -9.675 323 HD2 PRO 36 2HD PRO 36 -14.410 4.041 -9.220 324 HD3 PRO 36 1HD PRO 36 -15.668 3.544 -8.067 325 H ARG 37 H ARG 37 -11.834 2.305 -8.808 326 HA ARG 37 HA ARG 37 -10.039 0.055 -8.605 327 HB2 ARG 37 2HB ARG 37 -9.483 2.854 -9.625 328 HB3 ARG 37 1HB ARG 37 -8.522 1.412 -9.956 329 HG2 ARG 37 2HG ARG 37 -10.431 0.378 -11.103 330 HG3 ARG 37 1HG ARG 37 -11.429 1.786 -10.738 331 HD2 ARG 37 2HD ARG 37 -8.879 1.855 -12.377 332 HD3 ARG 37 1HD ARG 37 -10.509 1.861 -13.050 333 HE ARG 37 HE ARG 37 -9.155 4.139 -11.869 334 HH11 ARG 37 1HH2 ARG 37 -12.178 2.555 -12.370 335 HH12 ARG 37 2HH2 ARG 37 -13.109 4.012 -12.269 336 HH21 ARG 37 1HH1 ARG 37 -10.355 6.050 -11.734 337 HH22 ARG 37 2HH1 ARG 37 -12.077 5.989 -11.908 338 H GLN 38 H GLN 38 -10.407 3.083 -6.876 339 HA GLN 38 HA GLN 38 -7.758 3.138 -5.740 340 HB2 GLN 38 2HB GLN 38 -10.370 4.382 -4.860 341 HB3 GLN 38 1HB GLN 38 -8.848 4.658 -4.020 342 HG2 GLN 38 2HG GLN 38 -9.181 5.148 -6.990 343 HG3 GLN 38 1HG GLN 38 -9.467 6.400 -5.781 344 HE21 GLN 38 1HE2 GLN 38 -7.620 7.310 -4.691 345 HE22 GLN 38 2HE2 GLN 38 -6.026 6.942 -5.143 346 H CYS 39 H CYS 39 -10.876 1.780 -4.546 347 HA CYS 39 HA CYS 39 -9.591 0.883 -2.066 348 HB2 CYS 39 2HB CYS 39 -12.184 -0.059 -3.293 349 HB3 CYS 39 1HB CYS 39 -11.691 -0.219 -1.611 350 HG CYS 39 HG CYS 39 -11.638 2.566 -1.755 351 H ARG 40 H ARG 40 -10.244 -0.427 -5.253 352 HA ARG 40 HA ARG 40 -9.825 -3.176 -4.710 353 HB2 ARG 40 2HB ARG 40 -10.631 -2.410 -6.885 354 HB3 ARG 40 1HB ARG 40 -9.125 -1.542 -7.161 355 HG2 ARG 40 2HG ARG 40 -9.239 -3.732 -8.374 356 HG3 ARG 40 1HG ARG 40 -7.872 -3.624 -7.275 357 HD2 ARG 40 2HD ARG 40 -8.872 -5.080 -5.703 358 HD3 ARG 40 1HD ARG 40 -10.484 -4.845 -6.378 359 HE ARG 40 HE ARG 40 -8.969 -5.994 -8.435 360 HH11 ARG 40 1HH2 ARG 40 -9.907 -6.710 -5.194 361 HH12 ARG 40 2HH2 ARG 40 -9.911 -8.426 -5.435 362 HH21 ARG 40 1HH1 ARG 40 -8.970 -8.229 -8.766 363 HH22 ARG 40 2HH1 ARG 40 -9.380 -9.285 -7.456 364 H GLU 41 H GLU 41 -7.495 -0.659 -5.684 365 HA GLU 41 HA GLU 41 -5.155 -2.204 -5.718 366 HB2 GLU 41 2HB GLU 41 -5.596 0.665 -4.850 367 HB3 GLU 41 1HB GLU 41 -3.992 -0.048 -5.030 368 HG2 GLU 41 2HG GLU 41 -6.056 -0.059 -7.247 369 HG3 GLU 41 1HG GLU 41 -4.846 1.211 -7.067 370 H ARG 42 H ARG 42 -6.987 -0.988 -2.956 371 HA ARG 42 HA ARG 42 -4.900 -1.560 -1.019 372 HB2 ARG 42 2HB ARG 42 -7.675 -0.603 -0.994 373 HB3 ARG 42 1HB ARG 42 -7.377 -1.707 0.345 374 HG2 ARG 42 2HG ARG 42 -6.891 0.578 1.045 375 HG3 ARG 42 1HG ARG 42 -5.398 -0.351 0.994 376 HD2 ARG 42 2HD ARG 42 -6.144 1.144 -1.496 377 HD3 ARG 42 1HD ARG 42 -5.564 2.087 -0.123 378 HE ARG 42 HE ARG 42 -3.707 0.047 -0.344 379 HH11 ARG 42 1HH2 ARG 42 -5.089 2.417 -2.433 380 HH12 ARG 42 2HH2 ARG 42 -3.669 2.576 -3.412 381 HH21 ARG 42 1HH1 ARG 42 -1.845 0.241 -1.610 382 HH22 ARG 42 2HH1 ARG 42 -1.833 1.343 -2.946 383 H TRP 43 H TRP 43 -7.650 -3.427 -2.274 384 HA TRP 43 HA TRP 43 -7.673 -5.644 -0.592 385 HB2 TRP 43 2HB TRP 43 -9.108 -5.298 -2.612 386 HB3 TRP 43 1HB TRP 43 -7.735 -5.737 -3.617 387 HD1 TRP 43 HD TRP 43 -7.729 -8.161 -4.317 388 HE1 TRP 43 1HE TRP 43 -8.644 -10.375 -3.369 389 HE3 TRP 43 3HE TRP 43 -9.766 -6.485 0.061 390 HZ2 TRP 43 2HZ TRP 43 -10.041 -11.315 -1.061 391 HZ3 TRP 43 3HZ TRP 43 -10.876 -8.061 1.613 392 HH2 TRP 43 HH TRP 43 -11.020 -10.473 1.057 393 H ASN 44 H ASN 44 -5.599 -5.426 -3.509 394 HA ASN 44 HA ASN 44 -4.029 -7.721 -2.599 395 HB2 ASN 44 2HB ASN 44 -3.384 -5.797 -4.845 396 HB3 ASN 44 1HB ASN 44 -2.789 -7.446 -4.642 397 HD21 ASN 44 1HD2 ASN 44 -5.591 -5.517 -5.603 398 HD22 ASN 44 2HD2 ASN 44 -6.500 -6.813 -6.213 399 H ASN 45 H ASN 45 -3.632 -4.203 -2.557 400 HA ASN 45 HA ASN 45 -0.827 -4.460 -1.646 401 HB2 ASN 45 2HB ASN 45 -2.511 -1.946 -1.816 402 HB3 ASN 45 1HB ASN 45 -0.751 -2.066 -1.781 403 HD21 ASN 45 1HD2 ASN 45 -2.413 -0.855 -3.936 404 HD22 ASN 45 2HD2 ASN 45 -2.061 -1.731 -5.347 405 H TYR 46 H TYR 46 -3.474 -5.179 0.008 406 HA TYR 46 HA TYR 46 -2.273 -4.210 2.523 407 HB2 TYR 46 2HB TYR 46 -4.206 -2.611 1.449 408 HB3 TYR 46 1HB TYR 46 -5.211 -3.686 2.415 409 HD1 TYR 46 2HD TYR 46 -3.846 -4.286 4.794 410 HD2 TYR 46 1HD TYR 46 -3.681 -0.604 2.585 411 HE1 TYR 46 2HE TYR 46 -3.204 -3.078 6.857 412 HE2 TYR 46 1HE TYR 46 -3.036 0.601 4.651 413 HH TYR 46 HH TYR 46 -3.515 -0.322 7.546 414 H ILE 47 H ILE 47 -5.256 -5.858 1.318 415 HA ILE 47 HA ILE 47 -4.486 -8.168 3.011 416 HB ILE 47 HB ILE 47 -6.436 -8.292 4.310 417 HG12 ILE 47 2HG1 ILE 47 -8.159 -7.847 2.603 418 HG13 ILE 47 1HG1 ILE 47 -8.426 -6.869 4.030 419 HG21 ILE 47 1HG2 ILE 47 -6.606 -6.134 5.450 420 HG22 ILE 47 2HG2 ILE 47 -5.836 -5.331 4.086 421 HG23 ILE 47 3HG2 ILE 47 -4.929 -6.495 5.050 422 HD11 ILE 47 3HD1 ILE 47 -7.041 -5.885 1.539 423 HD12 ILE 47 1HD1 ILE 47 -7.415 -4.926 2.958 424 HD13 ILE 47 2HD1 ILE 47 -8.713 -5.556 1.949 425 H ASN 48 H ASN 48 -4.615 -9.900 1.883 426 HA ASN 48 HA ASN 48 -6.819 -10.927 0.497 427 HB2 ASN 48 2HB ASN 48 -6.780 -9.902 -1.542 428 HB3 ASN 48 1HB ASN 48 -5.357 -9.007 -1.089 429 HD21 ASN 48 1HD2 ASN 48 -3.329 -9.655 -1.974 430 HD22 ASN 48 2HD2 ASN 48 -3.167 -10.955 -3.052 431 HA PRO 49 HA PRO 49 -3.092 -13.750 -0.034 432 HB2 PRO 49 2HB PRO 49 -0.561 -12.760 -0.189 433 HB3 PRO 49 1HB PRO 49 -1.709 -12.630 -1.535 434 HG2 PRO 49 2HG PRO 49 -0.678 -10.507 0.208 435 HG3 PRO 49 1HG PRO 49 -1.525 -10.365 -1.338 436 HD2 PRO 49 2HD PRO 49 -2.642 -10.161 1.394 437 HD3 PRO 49 1HD PRO 49 -3.381 -9.700 -0.145 438 H ALA 50 H ALA 50 -2.930 -11.501 2.561 439 HA ALA 50 HA ALA 50 -2.465 -11.877 4.836 440 HB1 ALA 50 1HB ALA 50 -3.000 -14.400 4.076 441 HB2 ALA 50 2HB ALA 50 -2.302 -14.053 5.657 442 HB3 ALA 50 3HB ALA 50 -1.267 -14.596 4.339 443 H LEU 51 H LEU 51 -0.754 -10.746 2.882 444 HA LEU 51 HA LEU 51 1.967 -11.585 3.151 445 HB2 LEU 51 2HB LEU 51 2.426 -9.163 2.348 446 HB3 LEU 51 1HB LEU 51 1.523 -10.226 1.277 447 HG LEU 51 HG LEU 51 -0.610 -9.212 2.144 448 HD11 LEU 51 1HD1 LEU 51 -0.124 -8.381 4.284 449 HD12 LEU 51 2HD1 LEU 51 -0.237 -6.922 3.308 450 HD13 LEU 51 3HD1 LEU 51 1.345 -7.571 3.740 451 HD21 LEU 51 3HD2 LEU 51 -0.458 -7.243 0.819 452 HD22 LEU 51 1HD2 LEU 51 0.670 -8.387 0.095 453 HD23 LEU 51 2HD2 LEU 51 1.268 -7.091 1.127 454 H ARG 52 H ARG 52 0.476 -11.182 5.740 455 HA ARG 52 HA ARG 52 1.419 -8.873 7.098 456 HB2 ARG 52 2HB ARG 52 0.939 -11.648 8.228 457 HB3 ARG 52 1HB ARG 52 1.029 -10.155 9.163 458 HG2 ARG 52 2HG ARG 52 -0.949 -9.280 8.104 459 HG3 ARG 52 1HG ARG 52 -0.972 -10.601 6.934 460 HD2 ARG 52 2HD ARG 52 -2.621 -10.990 8.727 461 HD3 ARG 52 1HD ARG 52 -1.352 -12.215 8.763 462 HE ARG 52 HE ARG 52 -0.661 -10.025 10.495 463 HH11 ARG 52 1HH2 ARG 52 -2.741 -12.752 10.134 464 HH12 ARG 52 2HH2 ARG 52 -2.901 -13.023 11.838 465 HH21 ARG 52 1HH1 ARG 52 -0.858 -10.364 12.721 466 HH22 ARG 52 2HH1 ARG 52 -1.834 -11.671 13.302 467 H THR 53 H THR 53 3.228 -11.275 5.664 468 HA THR 53 HA THR 53 5.659 -10.406 7.074 469 HB THR 53 HB THR 53 4.972 -13.357 7.035 470 HG1 THR 53 1HG THR 53 4.431 -11.333 8.869 471 HG21 THR 53 3HG2 THR 53 7.384 -12.676 7.069 472 HG22 THR 53 1HG2 THR 53 6.885 -13.552 8.517 473 HG23 THR 53 2HG2 THR 53 7.070 -11.800 8.567 474 H ASP 54 H ASP 54 5.557 -9.692 4.652 475 HA ASP 54 HA ASP 54 7.168 -11.651 3.085 476 HB2 ASP 54 2HB ASP 54 4.646 -10.284 2.113 477 HB3 ASP 54 1HB ASP 54 5.807 -11.074 1.047 478 HA PRO 55 HA PRO 55 8.684 -7.291 2.829 479 HB2 PRO 55 2HB PRO 55 11.176 -7.617 3.792 480 HB3 PRO 55 1HB PRO 55 9.773 -7.574 4.883 481 HG2 PRO 55 2HG PRO 55 11.286 -9.942 3.846 482 HG3 PRO 55 1HG PRO 55 10.701 -9.617 5.490 483 HD2 PRO 55 2HD PRO 55 9.364 -11.228 3.662 484 HD3 PRO 55 1HD PRO 55 8.561 -10.399 5.016 485 H TRP 56 H TRP 56 9.692 -6.460 1.066 486 HA TRP 56 HA TRP 56 10.478 -8.138 -1.113 487 HB2 TRP 56 2HB TRP 56 11.550 -5.757 -1.865 488 HB3 TRP 56 1HB TRP 56 9.831 -6.089 -1.958 489 HD1 TRP 56 HD TRP 56 8.338 -5.218 0.165 490 HE1 TRP 56 1HE TRP 56 8.599 -3.116 1.606 491 HE3 TRP 56 3HE TRP 56 13.196 -4.119 -0.872 492 HZ2 TRP 56 2HZ TRP 56 10.637 -1.158 2.189 493 HZ3 TRP 56 3HZ TRP 56 14.264 -2.129 0.105 494 HH2 TRP 56 HH TRP 56 13.004 -0.648 1.647 495 H SER 57 H SER 57 12.898 -6.954 -2.055 496 HA SER 57 HA SER 57 14.920 -7.653 0.026 497 HB2 SER 57 2HB SER 57 15.543 -8.775 -2.642 498 HB3 SER 57 1HB SER 57 15.607 -9.557 -1.062 499 HG SER 57 HG SER 57 13.996 -10.474 -2.352 500 HA PRO 58 HA PRO 58 17.686 -4.547 -1.487 501 HB2 PRO 58 2HB PRO 58 19.276 -6.610 -3.005 502 HB3 PRO 58 1HB PRO 58 19.857 -5.302 -1.948 503 HG2 PRO 58 2HG PRO 58 19.767 -7.752 -1.014 504 HG3 PRO 58 1HG PRO 58 19.180 -6.414 -0.004 505 HD2 PRO 58 2HD PRO 58 17.590 -8.448 -1.541 506 HD3 PRO 58 1HD PRO 58 17.258 -7.746 0.059 507 H GLU 59 H GLU 59 16.140 -6.553 -3.799 508 HA GLU 59 HA GLU 59 16.968 -5.165 -6.184 509 HB2 GLU 59 2HB GLU 59 14.515 -6.879 -5.674 510 HB3 GLU 59 1HB GLU 59 15.119 -6.391 -7.258 511 HG2 GLU 59 2HG GLU 59 17.160 -7.639 -6.947 512 HG3 GLU 59 1HG GLU 59 16.758 -7.972 -5.262 513 H GLU 60 H GLU 60 14.034 -5.066 -4.117 514 HA GLU 60 HA GLU 60 12.962 -2.810 -5.632 515 HB2 GLU 60 2HB GLU 60 12.126 -3.709 -2.871 516 HB3 GLU 60 1HB GLU 60 11.172 -2.817 -4.046 517 HG2 GLU 60 2HG GLU 60 12.154 -5.669 -4.349 518 HG3 GLU 60 1HG GLU 60 10.491 -5.173 -4.036 519 H ASP 61 H ASP 61 15.166 -3.289 -3.007 520 HA ASP 61 HA ASP 61 14.920 -0.711 -1.756 521 HB2 ASP 61 2HB ASP 61 16.241 -2.784 -0.922 522 HB3 ASP 61 1HB ASP 61 17.520 -2.254 -2.008 523 H MET 62 H MET 62 17.301 -1.928 -4.132 524 HA MET 62 HA MET 62 18.399 0.636 -4.734 525 HB2 MET 62 2HB MET 62 18.276 -1.872 -6.439 526 HB3 MET 62 1HB MET 62 19.307 -0.477 -6.761 527 HG2 MET 62 2HG MET 62 19.391 -2.054 -4.177 528 HG3 MET 62 1HG MET 62 20.465 -2.364 -5.542 529 HE1 MET 62 3HE MET 62 21.660 -0.153 -6.772 530 HE2 MET 62 1HE MET 62 22.591 -1.354 -5.866 531 HE3 MET 62 2HE MET 62 22.941 0.363 -5.679 532 H LEU 63 H LEU 63 15.687 -1.213 -6.085 533 HA LEU 63 HA LEU 63 15.225 0.706 -8.245 534 HB2 LEU 63 2HB LEU 63 14.427 -1.842 -7.904 535 HB3 LEU 63 1HB LEU 63 13.001 -1.062 -7.235 536 HG LEU 63 HG LEU 63 14.174 -0.659 -10.006 537 HD11 LEU 63 1HD1 LEU 63 11.992 -1.609 -10.718 538 HD12 LEU 63 2HD1 LEU 63 11.561 -1.849 -9.025 539 HD13 LEU 63 3HD1 LEU 63 12.911 -2.741 -9.726 540 HD21 LEU 63 3HD2 LEU 63 11.974 0.708 -10.268 541 HD22 LEU 63 1HD2 LEU 63 13.324 1.475 -9.437 542 HD23 LEU 63 2HD2 LEU 63 11.984 0.798 -8.508 543 H LEU 64 H LEU 64 14.213 0.341 -4.917 544 HA LEU 64 HA LEU 64 12.012 2.190 -4.973 545 HB2 LEU 64 2HB LEU 64 12.132 0.750 -3.091 546 HB3 LEU 64 1HB LEU 64 13.820 1.138 -2.782 547 HG LEU 64 HG LEU 64 11.926 3.460 -2.647 548 HD11 LEU 64 1HD1 LEU 64 11.302 2.815 -0.267 549 HD12 LEU 64 2HD1 LEU 64 11.845 1.183 -0.655 550 HD13 LEU 64 3HD1 LEU 64 10.494 1.896 -1.536 551 HD21 LEU 64 3HD2 LEU 64 13.345 4.134 -0.817 552 HD22 LEU 64 1HD2 LEU 64 14.417 3.501 -2.063 553 HD23 LEU 64 2HD2 LEU 64 14.019 2.513 -0.663 554 H ASP 65 H ASP 65 15.492 2.573 -4.303 555 HA ASP 65 HA ASP 65 15.529 5.275 -3.557 556 HB2 ASP 65 2HB ASP 65 17.514 3.703 -3.723 557 HB3 ASP 65 1HB ASP 65 17.520 4.011 -5.459 558 H GLN 66 H GLN 66 15.144 3.846 -6.761 559 HA GLN 66 HA GLN 66 15.297 6.418 -8.142 560 HB2 GLN 66 2HB GLN 66 14.384 3.676 -9.050 561 HB3 GLN 66 1HB GLN 66 14.518 5.077 -10.113 562 HG2 GLN 66 2HG GLN 66 16.915 5.271 -9.562 563 HG3 GLN 66 1HG GLN 66 16.785 3.867 -8.502 564 HE21 GLN 66 1HE2 GLN 66 17.008 4.895 -11.850 565 HE22 GLN 66 2HE2 GLN 66 17.060 3.338 -12.525 566 H LYS 67 H LYS 67 12.657 4.193 -7.229 567 HA LYS 67 HA LYS 67 10.609 5.898 -8.385 568 HB2 LYS 67 2HB LYS 67 10.354 3.711 -6.298 569 HB3 LYS 67 1HB LYS 67 9.026 4.409 -7.221 570 HG2 LYS 67 2HG LYS 67 11.383 3.166 -8.657 571 HG3 LYS 67 1HG LYS 67 10.086 2.150 -8.039 572 HD2 LYS 67 2HD LYS 67 8.439 3.509 -9.330 573 HD3 LYS 67 1HD LYS 67 9.771 4.443 -10.004 574 HE2 LYS 67 2HE LYS 67 9.668 1.434 -10.256 575 HE3 LYS 67 1HE LYS 67 8.889 2.495 -11.429 576 HZ1 LYS 67 3HZ LYS 67 11.192 1.853 -12.018 577 HZ2 LYS 67 1HZ LYS 67 11.746 2.699 -10.658 578 HZ3 LYS 67 2HZ LYS 67 10.959 3.532 -11.912 579 H TYR 68 H TYR 68 11.507 5.209 -4.990 580 HA TYR 68 HA TYR 68 9.782 7.060 -3.750 581 HB2 TYR 68 2HB TYR 68 10.966 5.589 -2.311 582 HB3 TYR 68 1HB TYR 68 12.522 6.007 -3.020 583 HD1 TYR 68 2HD TYR 68 13.514 8.277 -2.604 584 HD2 TYR 68 1HD TYR 68 10.053 6.864 -0.488 585 HE1 TYR 68 2HE TYR 68 13.854 10.026 -0.884 586 HE2 TYR 68 1HE TYR 68 10.393 8.613 1.232 587 HH TYR 68 HH TYR 68 11.500 10.543 1.700 588 H ALA 69 H ALA 69 13.063 7.568 -5.025 589 HA ALA 69 HA ALA 69 13.446 10.256 -4.340 590 HB1 ALA 69 1HB ALA 69 14.245 8.696 -6.808 591 HB2 ALA 69 2HB ALA 69 15.240 9.085 -5.405 592 HB3 ALA 69 3HB ALA 69 14.772 10.356 -6.534 593 H GLU 70 H GLU 70 11.360 8.847 -6.773 594 HA GLU 70 HA GLU 70 10.690 11.486 -7.939 595 HB2 GLU 70 2HB GLU 70 9.904 8.631 -8.571 596 HB3 GLU 70 1HB GLU 70 9.172 10.017 -9.380 597 HG2 GLU 70 2HG GLU 70 11.423 10.767 -10.102 598 HG3 GLU 70 1HG GLU 70 12.130 9.349 -9.328 599 H TYR 71 H TYR 71 8.866 8.735 -6.513 600 HA TYR 71 HA TYR 71 6.577 10.512 -6.002 601 HB2 TYR 71 2HB TYR 71 6.846 7.627 -5.165 602 HB3 TYR 71 1HB TYR 71 5.371 8.548 -5.460 603 HD1 TYR 71 1HD TYR 71 4.877 9.387 -7.798 604 HD2 TYR 71 2HD TYR 71 7.951 6.505 -6.964 605 HE1 TYR 71 1HE TYR 71 4.902 8.721 -10.187 606 HE2 TYR 71 2HE TYR 71 7.974 5.840 -9.353 607 HH TYR 71 HH TYR 71 5.554 6.650 -11.510 608 H GLY 72 H GLY 72 8.941 8.699 -4.055 609 HA2 GLY 72 2HA GLY 72 9.774 9.529 -1.937 610 HA3 GLY 72 1HA GLY 72 8.330 10.518 -1.777 611 HA PRO 73 HA PRO 73 7.473 6.784 0.743 612 HB2 PRO 73 2HB PRO 73 5.983 7.911 2.707 613 HB3 PRO 73 1HB PRO 73 7.752 8.079 2.661 614 HG2 PRO 73 2HG PRO 73 5.647 10.033 1.825 615 HG3 PRO 73 1HG PRO 73 7.169 10.322 2.689 616 HD2 PRO 73 2HD PRO 73 6.824 10.734 -0.043 617 HD3 PRO 73 1HD PRO 73 8.403 10.442 0.723 618 H LYS 74 H LYS 74 5.860 7.877 -1.625 619 HA LYS 74 HA LYS 74 3.065 7.429 -0.817 620 HB2 LYS 74 2HB LYS 74 4.411 7.763 -3.501 621 HB3 LYS 74 1HB LYS 74 2.673 7.558 -3.300 622 HG2 LYS 74 2HG LYS 74 2.670 9.565 -1.793 623 HG3 LYS 74 1HG LYS 74 4.372 9.808 -2.186 624 HD2 LYS 74 2HD LYS 74 3.855 10.126 -4.527 625 HD3 LYS 74 1HD LYS 74 2.170 9.676 -4.264 626 HE2 LYS 74 2HE LYS 74 2.321 12.102 -4.381 627 HE3 LYS 74 1HE LYS 74 1.939 11.635 -2.724 628 HZ1 LYS 74 3HZ LYS 74 4.724 12.053 -3.622 629 HZ2 LYS 74 1HZ LYS 74 4.121 12.023 -2.037 630 HZ3 LYS 74 2HZ LYS 74 3.768 13.337 -3.054 631 H TRP 75 H TRP 75 3.947 5.242 0.109 632 HA TRP 75 HA TRP 75 4.734 3.104 -1.501 633 HB2 TRP 75 2HB TRP 75 2.787 2.701 0.755 634 HB3 TRP 75 1HB TRP 75 4.165 1.703 0.304 635 HD1 TRP 75 HD TRP 75 3.210 3.927 2.899 636 HE1 TRP 75 1HE TRP 75 5.229 5.032 4.053 637 HE3 TRP 75 3HE TRP 75 6.856 3.027 -0.583 638 HZ2 TRP 75 2HZ TRP 75 8.001 5.492 3.571 639 HZ3 TRP 75 3HZ TRP 75 9.164 3.815 -0.204 640 HH2 TRP 75 HH TRP 75 9.746 5.047 1.865 641 H ASN 76 H ASN 76 1.886 4.825 -1.749 642 HA ASN 76 HA ASN 76 0.080 2.695 -2.510 643 HB2 ASN 76 2HB ASN 76 -0.712 4.947 -1.800 644 HB3 ASN 76 1HB ASN 76 0.005 5.637 -3.256 645 HD21 ASN 76 1HD2 ASN 76 -2.216 6.287 -3.941 646 HD22 ASN 76 2HD2 ASN 76 -3.266 5.130 -4.605 647 H LYS 77 H LYS 77 2.365 4.784 -4.200 648 HA LYS 77 HA LYS 77 1.636 3.701 -6.841 649 HB2 LYS 77 2HB LYS 77 3.791 5.601 -5.885 650 HB3 LYS 77 1HB LYS 77 3.629 5.093 -7.566 651 HG2 LYS 77 2HG LYS 77 1.292 5.950 -7.572 652 HG3 LYS 77 1HG LYS 77 1.525 6.529 -5.922 653 HD2 LYS 77 2HD LYS 77 3.315 8.014 -6.647 654 HD3 LYS 77 1HD LYS 77 3.219 7.375 -8.289 655 HE2 LYS 77 2HE LYS 77 0.813 8.147 -8.352 656 HE3 LYS 77 1HE LYS 77 1.103 8.965 -6.816 657 HZ1 LYS 77 3HZ LYS 77 2.397 9.483 -9.428 658 HZ2 LYS 77 1HZ LYS 77 3.025 10.078 -7.969 659 HZ3 LYS 77 2HZ LYS 77 1.476 10.554 -8.484 660 H ILE 78 H ILE 78 4.179 3.378 -4.418 661 HA ILE 78 HA ILE 78 5.916 1.727 -6.009 662 HB ILE 78 HB ILE 78 5.705 1.632 -2.993 663 HG12 ILE 78 2HG1 ILE 78 5.640 3.984 -3.510 664 HG13 ILE 78 1HG1 ILE 78 7.285 3.601 -3.013 665 HG21 ILE 78 1HG2 ILE 78 8.063 1.496 -4.897 666 HG22 ILE 78 2HG2 ILE 78 7.301 0.107 -4.123 667 HG23 ILE 78 3HG2 ILE 78 8.135 1.314 -3.144 668 HD11 ILE 78 3HD1 ILE 78 7.813 3.314 -5.505 669 HD12 ILE 78 1HD1 ILE 78 7.508 4.962 -4.958 670 HD13 ILE 78 2HD1 ILE 78 6.251 4.072 -5.815 671 H SER 79 H SER 79 3.628 0.900 -3.383 672 HA SER 79 HA SER 79 3.834 -1.882 -3.477 673 HB2 SER 79 2HB SER 79 2.403 -0.507 -1.900 674 HB3 SER 79 1HB SER 79 1.204 -0.418 -3.189 675 HG SER 79 HG SER 79 2.249 -2.924 -2.558 676 H LYS 80 H LYS 80 2.402 0.191 -5.889 677 HA LYS 80 HA LYS 80 0.887 -1.965 -7.160 678 HB2 LYS 80 2HB LYS 80 1.611 0.862 -7.963 679 HB3 LYS 80 1HB LYS 80 0.829 -0.234 -9.102 680 HG2 LYS 80 2HG LYS 80 -0.967 -0.605 -7.312 681 HG3 LYS 80 1HG LYS 80 -0.251 0.747 -6.443 682 HD2 LYS 80 2HD LYS 80 -1.143 0.976 -9.330 683 HD3 LYS 80 1HD LYS 80 -2.233 1.286 -7.983 684 HE2 LYS 80 2HE LYS 80 -0.595 2.982 -7.121 685 HE3 LYS 80 1HE LYS 80 0.352 2.746 -8.591 686 HZ1 LYS 80 3HZ LYS 80 -1.790 3.254 -9.810 687 HZ2 LYS 80 1HZ LYS 80 -1.025 4.556 -9.039 688 HZ3 LYS 80 2HZ LYS 80 -2.385 3.829 -8.326 689 H PHE 81 H PHE 81 4.148 -0.871 -7.169 690 HA PHE 81 HA PHE 81 4.775 -2.129 -9.767 691 HB2 PHE 81 2HB PHE 81 6.293 -0.569 -7.681 692 HB3 PHE 81 1HB PHE 81 7.204 -1.574 -8.803 693 HD1 PHE 81 1HD PHE 81 6.701 -1.290 -11.332 694 HD2 PHE 81 2HD PHE 81 5.588 1.598 -8.352 695 HE1 PHE 81 1HE PHE 81 6.502 0.449 -13.088 696 HE2 PHE 81 2HE PHE 81 5.390 3.335 -10.109 697 HZ PHE 81 HZ PHE 81 5.847 2.761 -12.478 698 H LEU 82 H LEU 82 4.439 -2.961 -6.505 699 HA LEU 82 HA LEU 82 6.180 -5.383 -6.692 700 HB2 LEU 82 2HB LEU 82 4.743 -3.943 -4.455 701 HB3 LEU 82 1HB LEU 82 5.385 -5.565 -4.226 702 HG LEU 82 HG LEU 82 7.632 -4.860 -4.513 703 HD11 LEU 82 1HD1 LEU 82 7.496 -3.488 -6.496 704 HD12 LEU 82 2HD1 LEU 82 8.198 -2.497 -5.226 705 HD13 LEU 82 3HD1 LEU 82 6.507 -2.294 -5.662 706 HD21 LEU 82 3HD2 LEU 82 6.756 -4.130 -2.367 707 HD22 LEU 82 1HD2 LEU 82 6.131 -2.647 -3.083 708 HD23 LEU 82 2HD2 LEU 82 7.869 -2.910 -2.969 709 H LYS 83 H LYS 83 2.948 -4.744 -5.307 710 HA LYS 83 HA LYS 83 0.910 -5.832 -5.643 711 HB2 LYS 83 2HB LYS 83 1.993 -6.084 -8.105 712 HB3 LYS 83 1HB LYS 83 2.062 -7.774 -7.636 713 HG2 LYS 83 2HG LYS 83 -0.062 -7.673 -8.618 714 HG3 LYS 83 1HG LYS 83 -0.457 -7.402 -6.926 715 HD2 LYS 83 2HD LYS 83 -1.649 -5.761 -8.246 716 HD3 LYS 83 1HD LYS 83 -0.385 -4.921 -7.359 717 HE2 LYS 83 2HE LYS 83 0.822 -4.436 -9.288 718 HE3 LYS 83 1HE LYS 83 0.300 -5.905 -10.115 719 HZ1 LYS 83 3HZ LYS 83 -0.658 -3.510 -10.680 720 HZ2 LYS 83 1HZ LYS 83 -1.771 -3.964 -9.483 721 HZ3 LYS 83 2HZ LYS 83 -1.568 -4.933 -10.864 722 H ASN 84 H ASN 84 3.774 -7.039 -4.586 723 HA ASN 84 HA ASN 84 2.598 -9.628 -3.656 724 HB2 ASN 84 2HB ASN 84 5.458 -8.695 -3.989 725 HB3 ASN 84 1HB ASN 84 5.030 -10.165 -3.113 726 HD21 ASN 84 1HD2 ASN 84 3.883 -8.696 -6.215 727 HD22 ASN 84 2HD2 ASN 84 4.094 -10.112 -7.127 728 H ARG 85 H ARG 85 3.828 -6.523 -2.652 729 HA ARG 85 HA ARG 85 3.463 -7.312 0.239 730 HB2 ARG 85 2HB ARG 85 5.269 -5.191 -0.936 731 HB3 ARG 85 1HB ARG 85 5.064 -5.537 0.770 732 HG2 ARG 85 2HG ARG 85 6.899 -6.901 0.442 733 HG3 ARG 85 1HG ARG 85 5.687 -8.045 -0.096 734 HD2 ARG 85 2HD ARG 85 6.015 -7.001 -2.443 735 HD3 ARG 85 1HD ARG 85 7.488 -6.305 -1.775 736 HE ARG 85 HE ARG 85 7.486 -9.080 -1.167 737 HH11 ARG 85 1HH2 ARG 85 7.611 -6.906 -3.841 738 HH12 ARG 85 2HH2 ARG 85 8.547 -7.972 -4.835 739 HH21 ARG 85 1HH1 ARG 85 8.708 -10.484 -2.449 740 HH22 ARG 85 2HH1 ARG 85 9.168 -9.997 -4.047 741 H SER 86 H SER 86 2.980 -5.303 1.575 742 HA SER 86 HA SER 86 0.860 -3.689 0.216 743 HB2 SER 86 2HB SER 86 -0.038 -3.572 2.642 744 HB3 SER 86 1HB SER 86 -0.225 -5.099 1.785 745 HG SER 86 HG SER 86 1.605 -5.865 2.850 746 H ASP 87 H ASP 87 0.576 -1.567 1.182 747 HA ASP 87 HA ASP 87 2.990 -0.114 1.365 748 HB2 ASP 87 2HB ASP 87 1.449 1.699 2.392 749 HB3 ASP 87 1HB ASP 87 1.036 1.121 0.776 750 H ASN 88 H ASN 88 0.891 -1.493 3.822 751 HA ASN 88 HA ASN 88 2.159 -0.370 6.114 752 HB2 ASN 88 2HB ASN 88 -0.017 -1.641 6.117 753 HB3 ASN 88 1HB ASN 88 0.909 -3.126 5.902 754 HD21 ASN 88 1HD2 ASN 88 2.891 -3.189 7.622 755 HD22 ASN 88 2HD2 ASN 88 2.433 -2.829 9.216 756 H ASN 89 H ASN 89 3.057 -3.020 3.975 757 HA ASN 89 HA ASN 89 5.148 -4.015 5.788 758 HB2 ASN 89 2HB ASN 89 3.872 -5.445 4.138 759 HB3 ASN 89 1HB ASN 89 4.726 -4.599 2.852 760 HD21 ASN 89 1HD2 ASN 89 5.457 -7.055 2.584 761 HD22 ASN 89 2HD2 ASN 89 6.889 -7.475 3.394 762 H ILE 90 H ILE 90 4.885 -2.095 2.833 763 HA ILE 90 HA ILE 90 7.696 -1.781 2.392 764 HB ILE 90 HB ILE 90 5.368 -0.019 1.565 765 HG12 ILE 90 2HG1 ILE 90 6.823 -2.190 0.031 766 HG13 ILE 90 1HG1 ILE 90 5.310 -2.456 0.879 767 HG21 ILE 90 1HG2 ILE 90 8.214 -0.227 0.526 768 HG22 ILE 90 2HG2 ILE 90 7.498 1.166 1.335 769 HG23 ILE 90 3HG2 ILE 90 6.926 0.683 -0.261 770 HD11 ILE 90 3HD1 ILE 90 4.664 -2.018 -1.337 771 HD12 ILE 90 1HD1 ILE 90 5.818 -0.702 -1.518 772 HD13 ILE 90 2HD1 ILE 90 4.385 -0.492 -0.513 773 H ARG 91 H ARG 91 5.294 0.396 3.873 774 HA ARG 91 HA ARG 91 7.143 2.404 4.696 775 HB2 ARG 91 2HB ARG 91 4.740 2.799 4.752 776 HB3 ARG 91 1HB ARG 91 4.509 1.489 5.893 777 HG2 ARG 91 2HG ARG 91 4.467 3.769 6.952 778 HG3 ARG 91 1HG ARG 91 5.694 2.707 7.631 779 HD2 ARG 91 2HD ARG 91 7.454 3.855 6.546 780 HD3 ARG 91 1HD ARG 91 6.372 4.592 5.368 781 HE ARG 91 HE ARG 91 5.580 5.526 7.916 782 HH11 ARG 91 1HH2 ARG 91 8.281 5.598 5.772 783 HH12 ARG 91 2HH2 ARG 91 8.835 7.147 6.311 784 HH21 ARG 91 1HH1 ARG 91 6.290 7.549 8.631 785 HH22 ARG 91 2HH1 ARG 91 7.709 8.251 7.930 786 H ASN 92 H ASN 92 6.182 -0.669 6.054 787 HA ASN 92 HA ASN 92 7.511 -0.245 8.618 788 HB2 ASN 92 2HB ASN 92 5.619 -1.778 8.466 789 HB3 ASN 92 1HB ASN 92 6.485 -2.770 7.294 790 HD21 ASN 92 1HD2 ASN 92 5.775 -4.233 9.419 791 HD22 ASN 92 2HD2 ASN 92 7.050 -4.456 10.517 792 H ARG 93 H ARG 93 8.331 -2.001 5.596 793 HA ARG 93 HA ARG 93 10.855 -2.912 6.752 794 HB2 ARG 93 2HB ARG 93 9.471 -3.995 4.806 795 HB3 ARG 93 1HB ARG 93 10.339 -2.854 3.785 796 HG2 ARG 93 2HG ARG 93 12.477 -3.750 5.034 797 HG3 ARG 93 1HG ARG 93 11.445 -5.113 5.458 798 HD2 ARG 93 2HD ARG 93 10.942 -5.393 3.008 799 HD3 ARG 93 1HD ARG 93 12.156 -4.153 2.681 800 HE ARG 93 HE ARG 93 13.084 -6.406 4.337 801 HH11 ARG 93 1HH2 ARG 93 12.740 -5.012 1.199 802 HH12 ARG 93 2HH2 ARG 93 14.057 -5.904 0.518 803 HH21 ARG 93 1HH1 ARG 93 14.798 -7.575 3.463 804 HH22 ARG 93 2HH1 ARG 93 15.223 -7.354 1.799 805 H TRP 94 H TRP 94 9.782 -0.076 5.068 806 HA TRP 94 HA TRP 94 12.442 0.766 4.216 807 HB2 TRP 94 2HB TRP 94 10.529 1.594 2.978 808 HB3 TRP 94 1HB TRP 94 9.797 2.237 4.446 809 HD1 TRP 94 HD TRP 94 10.160 4.721 4.771 810 HE1 TRP 94 1HE TRP 94 11.923 6.453 4.041 811 HE3 TRP 94 3HE TRP 94 13.415 1.677 2.266 812 HZ2 TRP 94 2HZ TRP 94 14.385 6.539 2.593 813 HZ3 TRP 94 3HZ TRP 94 15.459 2.613 1.226 814 HH2 TRP 94 HH TRP 94 15.948 5.037 1.384 815 H MET 95 H MET 95 10.204 1.731 6.842 816 HA MET 95 HA MET 95 12.093 3.559 8.031 817 HB2 MET 95 2HB MET 95 10.556 3.670 9.891 818 HB3 MET 95 1HB MET 95 9.600 3.593 8.414 819 HG2 MET 95 2HG MET 95 8.514 2.003 9.750 820 HG3 MET 95 1HG MET 95 9.647 0.983 8.866 821 HE1 MET 95 3HE MET 95 9.648 -1.023 11.001 822 HE2 MET 95 1HE MET 95 8.248 0.055 11.089 823 HE3 MET 95 2HE MET 95 9.174 -0.313 12.541 824 H MET 96 H MET 96 11.711 0.122 8.112 825 HA MET 96 HA MET 96 13.208 -0.263 10.601 826 HB2 MET 96 2HB MET 96 11.507 -1.909 9.813 827 HB3 MET 96 1HB MET 96 12.520 -2.248 8.409 828 HG2 MET 96 2HG MET 96 14.297 -3.094 9.798 829 HG3 MET 96 1HG MET 96 13.485 -2.546 11.264 830 HE1 MET 96 3HE MET 96 14.489 -5.598 9.743 831 HE2 MET 96 1HE MET 96 13.557 -6.569 10.891 832 HE3 MET 96 2HE MET 96 14.476 -5.175 11.453 833 H ILE 97 H ILE 97 13.816 -0.470 7.108 834 HA ILE 97 HA ILE 97 16.636 -1.165 7.533 835 HB ILE 97 HB ILE 97 15.111 -0.454 5.009 836 HG12 ILE 97 2HG1 ILE 97 16.102 -3.154 5.970 837 HG13 ILE 97 1HG1 ILE 97 14.459 -2.576 6.252 838 HG21 ILE 97 1HG2 ILE 97 17.441 0.009 4.636 839 HG22 ILE 97 2HG2 ILE 97 17.127 -1.568 3.918 840 HG23 ILE 97 3HG2 ILE 97 17.931 -1.458 5.483 841 HD11 ILE 97 3HD1 ILE 97 14.683 -4.017 4.202 842 HD12 ILE 97 1HD1 ILE 97 15.731 -2.781 3.508 843 HD13 ILE 97 2HD1 ILE 97 14.046 -2.405 3.869 844 H ALA 98 H ALA 98 14.695 1.685 6.896 845 HA ALA 98 HA ALA 98 16.951 3.364 6.152 846 HB1 ALA 98 1HB ALA 98 14.216 4.181 7.178 847 HB2 ALA 98 2HB ALA 98 14.594 3.870 5.484 848 HB3 ALA 98 3HB ALA 98 15.365 5.213 6.329 849 H ARG 99 H ARG 99 15.300 2.472 9.116 850 HA ARG 99 HA ARG 99 16.589 4.502 10.739 851 HB2 ARG 99 2HB ARG 99 15.064 1.966 11.371 852 HB3 ARG 99 1HB ARG 99 15.802 2.937 12.642 853 HG2 ARG 99 2HG ARG 99 13.984 4.262 10.617 854 HG3 ARG 99 1HG ARG 99 13.282 3.373 11.965 855 HD2 ARG 99 2HD ARG 99 14.637 4.774 13.540 856 HD3 ARG 99 1HD ARG 99 15.194 5.723 12.163 857 HE ARG 99 HE ARG 99 12.308 5.588 12.231 858 HH11 ARG 99 1HH2 ARG 99 15.111 7.036 13.626 859 HH12 ARG 99 2HH2 ARG 99 14.292 8.489 14.092 860 HH21 ARG 99 1HH1 ARG 99 11.224 7.478 12.832 861 HH22 ARG 99 2HH1 ARG 99 12.090 8.739 13.643 862 H HIS 100 H HIS 100 17.387 1.438 9.451 863 HA HIS 100 HA HIS 100 19.573 0.908 11.354 864 HB2 HIS 100 2HB HIS 100 18.511 -0.486 8.884 865 HB3 HIS 100 1HB HIS 100 19.976 -1.022 9.706 866 HD1 HIS 100 1HD HIS 100 17.914 0.263 12.291 867 HD2 HIS 100 2HD HIS 100 17.882 -3.285 10.099 868 HE1 HIS 100 1HE HIS 100 16.551 -1.398 13.635 869 HE2 HIS 100 2HE HIS 100 16.526 -3.561 12.310 870 H ARG 101 H ARG 101 19.100 2.053 8.040 871 HA ARG 101 HA ARG 101 21.978 2.168 7.498 872 HB2 ARG 101 2HB ARG 101 20.311 1.756 5.691 873 HB3 ARG 101 1HB ARG 101 19.642 3.361 5.968 874 HG2 ARG 101 2HG ARG 101 21.182 3.422 4.068 875 HG3 ARG 101 1HG ARG 101 21.848 4.364 5.396 876 HD2 ARG 101 2HD ARG 101 23.523 2.784 5.845 877 HD3 ARG 101 1HD ARG 101 22.602 1.454 5.139 878 HE ARG 101 HE ARG 101 23.284 3.419 3.135 879 HH11 ARG 101 1HH2 ARG 101 24.469 0.828 5.079 880 HH12 ARG 101 2HH2 ARG 101 25.699 0.368 3.950 881 HH21 ARG 101 1HH1 ARG 101 24.885 2.832 1.651 882 HH22 ARG 101 2HH1 ARG 101 25.935 1.503 2.010 883 H ALA 102 H ALA 102 19.534 4.221 8.844 884 HA ALA 102 HA ALA 102 20.809 6.754 8.354 885 HB1 ALA 102 1HB ALA 102 18.862 5.853 10.494 886 HB2 ALA 102 2HB ALA 102 18.479 6.707 8.999 887 HB3 ALA 102 3HB ALA 102 19.374 7.527 10.279 888 H LYS 103 H LYS 103 21.465 4.162 10.547 889 HA LYS 103 HA LYS 103 23.014 5.842 12.415 890 HB2 LYS 103 2HB LYS 103 22.439 2.878 12.196 891 HB3 LYS 103 1HB LYS 103 23.555 3.528 13.393 892 HG2 LYS 103 2HG LYS 103 20.763 4.673 13.167 893 HG3 LYS 103 1HG LYS 103 21.021 3.167 14.042 894 HD2 LYS 103 2HD LYS 103 22.747 4.338 15.445 895 HD3 LYS 103 1HD LYS 103 22.313 5.847 14.643 896 HE2 LYS 103 2HE LYS 103 20.024 5.672 15.447 897 HE3 LYS 103 1HE LYS 103 20.357 4.087 16.143 898 HZ1 LYS 103 3HZ LYS 103 22.223 6.058 17.022 899 HZ2 LYS 103 1HZ LYS 103 21.250 5.012 17.936 900 HZ3 LYS 103 2HZ LYS 103 20.626 6.499 17.400 901 H HIS 104 H HIS 104 23.562 3.403 9.888 902 HA HIS 104 HA HIS 104 26.456 3.475 10.194 903 HB2 HIS 104 2HB HIS 104 24.647 2.368 8.030 904 HB3 HIS 104 1HB HIS 104 26.402 2.211 8.001 905 HD1 HIS 104 1HD HIS 104 27.136 0.017 8.908 906 HD2 HIS 104 2HD HIS 104 23.704 1.389 10.842 907 HE1 HIS 104 1HE HIS 104 26.542 -1.732 10.645 908 HE2 HIS 104 2HE HIS 104 24.455 -0.907 11.826 909 H GLN 105 H GLN 105 24.449 5.823 9.222 910 HA GLN 105 HA GLN 105 25.631 6.655 6.714 911 HB2 GLN 105 2HB GLN 105 23.361 7.371 7.621 912 HB3 GLN 105 1HB GLN 105 24.230 8.426 8.735 913 HG2 GLN 105 2HG GLN 105 23.666 9.771 6.830 914 HG3 GLN 105 1HG GLN 105 25.392 9.426 6.702 915 HE21 GLN 105 1HE2 GLN 105 25.693 9.289 4.444 916 HE22 GLN 105 2HE2 GLN 105 24.822 8.240 3.432 917 H LYS 106 H LYS 106 27.876 6.160 7.827 918 HA LYS 106 HA LYS 106 29.925 6.975 8.592 919 HB2 LYS 106 2HB LYS 106 28.617 9.504 7.579 920 HB3 LYS 106 1HB LYS 106 30.287 9.444 8.133 921 HG2 LYS 106 2HG LYS 106 30.875 7.841 6.434 922 HG3 LYS 106 1HG LYS 106 29.184 7.623 5.981 923 HD2 LYS 106 2HD LYS 106 29.058 9.930 5.192 924 HD3 LYS 106 1HD LYS 106 30.709 10.232 5.733 925 HE2 LYS 106 2HE LYS 106 30.537 9.752 3.273 926 HE3 LYS 106 1HE LYS 106 31.586 8.628 4.138 927 HZ1 LYS 106 3HZ LYS 106 29.698 7.091 4.288 928 HZ2 LYS 106 1HZ LYS 106 30.129 7.420 2.681 929 HZ3 LYS 106 2HZ LYS 106 28.759 8.161 3.360 930 H SER 107 H SER 107 27.090 7.752 10.181 931 HA SER 107 HA SER 107 27.990 9.656 12.116 932 HB2 SER 107 2HB SER 107 25.604 9.124 11.807 933 HB3 SER 107 1HB SER 107 25.888 7.482 12.375 934 HG SER 107 HG SER 107 26.356 8.265 14.382 Start of MODEL 18 1 H1 LYS 1 1HT LYS 1 0.431 7.537 -1.051 2 H2 LYS 1 2HT LYS 1 1.309 6.226 -0.421 3 H3 LYS 1 3HT LYS 1 1.164 7.662 0.474 4 HA LYS 1 HA LYS 1 -0.574 5.418 0.385 5 HB2 LYS 1 2HB LYS 1 0.277 6.507 2.429 6 HB3 LYS 1 1HB LYS 1 -0.576 7.988 1.997 7 HG2 LYS 1 2HG LYS 1 -2.713 6.957 2.265 8 HG3 LYS 1 1HG LYS 1 -2.006 5.342 2.330 9 HD2 LYS 1 2HD LYS 1 -1.011 5.777 4.476 10 HD3 LYS 1 1HD LYS 1 -1.409 7.493 4.377 11 HE2 LYS 1 2HE LYS 1 -3.014 6.373 5.838 12 HE3 LYS 1 1HE LYS 1 -3.829 6.898 4.364 13 HZ1 LYS 1 2HZ LYS 1 -4.498 4.688 4.756 14 HZ2 LYS 1 3HZ LYS 1 -2.909 4.167 5.056 15 HZ3 LYS 1 1HZ LYS 1 -3.373 4.610 3.485 16 H VAL 2 H VAL 2 -2.957 5.651 0.476 17 HA VAL 2 HA VAL 2 -3.914 7.326 -1.743 18 HB VAL 2 HB VAL 2 -5.535 5.528 0.091 19 HG11 VAL 2 1HG1 VAL 2 -7.040 6.804 -1.221 20 HG12 VAL 2 2HG1 VAL 2 -6.861 5.316 -2.140 21 HG13 VAL 2 3HG1 VAL 2 -5.991 6.764 -2.637 22 HG21 VAL 2 3HG2 VAL 2 -3.663 4.254 -0.840 23 HG22 VAL 2 1HG2 VAL 2 -4.029 4.855 -2.457 24 HG23 VAL 2 2HG2 VAL 2 -5.160 3.777 -1.641 25 H LYS 3 H LYS 3 -6.185 8.434 -1.247 26 HA LYS 3 HA LYS 3 -5.649 10.526 0.648 27 HB2 LYS 3 2HB LYS 3 -8.376 9.892 -0.491 28 HB3 LYS 3 1HB LYS 3 -7.728 11.461 -0.019 29 HG2 LYS 3 2HG LYS 3 -6.783 9.762 -2.349 30 HG3 LYS 3 1HG LYS 3 -7.695 11.267 -2.454 31 HD2 LYS 3 2HD LYS 3 -5.740 12.339 -1.147 32 HD3 LYS 3 1HD LYS 3 -4.842 10.870 -1.533 33 HE2 LYS 3 2HE LYS 3 -5.267 11.252 -3.942 34 HE3 LYS 3 1HE LYS 3 -6.121 12.743 -3.545 35 HZ1 LYS 3 3HZ LYS 3 -3.379 12.376 -3.886 36 HZ2 LYS 3 1HZ LYS 3 -3.632 12.744 -2.249 37 HZ3 LYS 3 2HZ LYS 3 -4.198 13.801 -3.452 38 H PHE 4 H PHE 4 -8.056 7.835 0.753 39 HA PHE 4 HA PHE 4 -9.040 8.549 3.322 40 HB2 PHE 4 2HB PHE 4 -9.666 6.094 3.536 41 HB3 PHE 4 1HB PHE 4 -10.349 6.950 2.171 42 HD1 PHE 4 2HD PHE 4 -7.455 4.774 3.149 43 HD2 PHE 4 1HD PHE 4 -10.065 6.086 -0.004 44 HE1 PHE 4 2HE PHE 4 -6.487 3.069 1.625 45 HE2 PHE 4 1HE PHE 4 -9.103 4.376 -1.516 46 HZ PHE 4 HZ PHE 4 -7.313 2.877 -0.710 47 H THR 5 H THR 5 -8.655 7.402 5.376 48 HA THR 5 HA THR 5 -5.738 7.118 5.827 49 HB THR 5 HB THR 5 -6.829 8.565 7.388 50 HG1 THR 5 1HG THR 5 -6.560 7.286 9.339 51 HG21 THR 5 3HG2 THR 5 -8.795 6.289 7.678 52 HG22 THR 5 1HG2 THR 5 -9.120 7.940 7.154 53 HG23 THR 5 2HG2 THR 5 -8.693 7.614 8.834 54 H GLU 6 H GLU 6 -4.984 5.393 7.204 55 HA GLU 6 HA GLU 6 -5.493 2.817 6.263 56 HB2 GLU 6 2HB GLU 6 -4.543 3.700 9.002 57 HB3 GLU 6 1HB GLU 6 -4.519 2.021 8.460 58 HG2 GLU 6 2HG GLU 6 -3.183 4.270 6.932 59 HG3 GLU 6 1HG GLU 6 -2.342 3.286 8.130 60 H GLU 7 H GLU 7 -7.104 4.523 8.936 61 HA GLU 7 HA GLU 7 -8.595 2.440 10.056 62 HB2 GLU 7 2HB GLU 7 -9.789 5.160 9.481 63 HB3 GLU 7 1HB GLU 7 -10.162 4.073 10.815 64 HG2 GLU 7 2HG GLU 7 -7.540 5.529 10.366 65 HG3 GLU 7 1HG GLU 7 -8.725 5.867 11.625 66 H GLU 8 H GLU 8 -9.277 4.231 7.038 67 HA GLU 8 HA GLU 8 -11.804 2.910 6.599 68 HB2 GLU 8 2HB GLU 8 -9.969 4.076 4.508 69 HB3 GLU 8 1HB GLU 8 -11.699 3.783 4.356 70 HG2 GLU 8 2HG GLU 8 -11.770 5.373 6.550 71 HG3 GLU 8 1HG GLU 8 -10.273 5.976 5.842 72 H ASP 9 H ASP 9 -8.477 2.355 5.432 73 HA ASP 9 HA ASP 9 -8.881 0.181 3.717 74 HB2 ASP 9 2HB ASP 9 -6.645 1.092 4.148 75 HB3 ASP 9 1HB ASP 9 -6.685 0.454 5.791 76 H LEU 10 H LEU 10 -9.284 0.279 7.185 77 HA LEU 10 HA LEU 10 -9.401 -2.630 7.500 78 HB2 LEU 10 2HB LEU 10 -10.722 -0.730 9.447 79 HB3 LEU 10 1HB LEU 10 -9.832 -2.218 9.773 80 HG LEU 10 HG LEU 10 -8.663 0.414 8.874 81 HD11 LEU 10 1HD1 LEU 10 -9.379 0.265 11.253 82 HD12 LEU 10 2HD1 LEU 10 -7.639 0.479 11.061 83 HD13 LEU 10 3HD1 LEU 10 -8.294 -1.112 11.450 84 HD21 LEU 10 3HD2 LEU 10 -7.336 -1.310 7.862 85 HD22 LEU 10 1HD2 LEU 10 -7.409 -2.300 9.318 86 HD23 LEU 10 2HD2 LEU 10 -6.466 -0.811 9.308 87 H LYS 11 H LYS 11 -11.664 0.064 7.087 88 HA LYS 11 HA LYS 11 -14.081 -1.451 7.332 89 HB2 LYS 11 2HB LYS 11 -13.498 0.996 5.628 90 HB3 LYS 11 1HB LYS 11 -15.109 0.384 6.006 91 HG2 LYS 11 2HG LYS 11 -14.569 0.654 8.446 92 HG3 LYS 11 1HG LYS 11 -13.058 1.433 7.975 93 HD2 LYS 11 2HD LYS 11 -14.312 3.164 6.759 94 HD3 LYS 11 1HD LYS 11 -15.831 2.378 7.189 95 HE2 LYS 11 2HE LYS 11 -15.196 4.329 8.674 96 HE3 LYS 11 1HE LYS 11 -15.489 2.815 9.529 97 HZ1 LYS 11 3HZ LYS 11 -13.419 4.083 10.160 98 HZ2 LYS 11 1HZ LYS 11 -12.786 3.640 8.650 99 HZ3 LYS 11 2HZ LYS 11 -13.204 2.441 9.779 100 H LEU 12 H LEU 12 -11.839 -0.900 4.659 101 HA LEU 12 HA LEU 12 -13.380 -2.008 2.554 102 HB2 LEU 12 2HB LEU 12 -10.446 -1.693 3.106 103 HB3 LEU 12 1HB LEU 12 -10.911 -2.745 1.777 104 HG LEU 12 HG LEU 12 -12.208 -0.895 0.773 105 HD11 LEU 12 1HD1 LEU 12 -11.953 1.388 1.704 106 HD12 LEU 12 2HD1 LEU 12 -11.078 0.720 3.075 107 HD13 LEU 12 3HD1 LEU 12 -12.776 0.320 2.839 108 HD21 LEU 12 3HD2 LEU 12 -10.176 0.606 0.310 109 HD22 LEU 12 1HD2 LEU 12 -9.964 -1.114 -0.016 110 HD23 LEU 12 2HD2 LEU 12 -9.296 -0.405 1.454 111 H GLN 13 H GLN 13 -11.076 -3.606 4.795 112 HA GLN 13 HA GLN 13 -11.319 -6.225 3.802 113 HB2 GLN 13 2HB GLN 13 -9.787 -5.516 5.646 114 HB3 GLN 13 1HB GLN 13 -11.176 -5.421 6.724 115 HG2 GLN 13 2HG GLN 13 -11.632 -7.818 6.377 116 HG3 GLN 13 1HG GLN 13 -10.263 -7.925 5.271 117 HE21 GLN 13 1HE2 GLN 13 -10.493 -6.154 8.387 118 HE22 GLN 13 2HE2 GLN 13 -9.224 -6.995 9.136 119 H GLN 14 H GLN 14 -13.503 -4.476 6.000 120 HA GLN 14 HA GLN 14 -15.223 -6.810 6.397 121 HB2 GLN 14 2HB GLN 14 -15.844 -3.902 6.904 122 HB3 GLN 14 1HB GLN 14 -16.682 -5.298 7.580 123 HG2 GLN 14 2HG GLN 14 -14.497 -6.002 8.627 124 HG3 GLN 14 1HG GLN 14 -13.817 -4.461 8.103 125 HE21 GLN 14 1HE2 GLN 14 -15.706 -5.995 10.562 126 HE22 GLN 14 2HE2 GLN 14 -16.141 -4.588 11.407 127 H LEU 15 H LEU 15 -15.801 -3.680 4.728 128 HA LEU 15 HA LEU 15 -18.288 -4.470 3.592 129 HB2 LEU 15 2HB LEU 15 -16.289 -2.536 2.384 130 HB3 LEU 15 1HB LEU 15 -18.025 -2.572 2.094 131 HG LEU 15 HG LEU 15 -16.780 -2.084 4.818 132 HD11 LEU 15 1HD1 LEU 15 -16.161 -0.258 3.344 133 HD12 LEU 15 2HD1 LEU 15 -17.449 0.296 4.414 134 HD13 LEU 15 3HD1 LEU 15 -17.814 -0.132 2.742 135 HD21 LEU 15 3HD2 LEU 15 -19.144 -1.100 5.188 136 HD22 LEU 15 1HD2 LEU 15 -19.017 -2.855 5.114 137 HD23 LEU 15 2HD2 LEU 15 -19.603 -1.954 3.716 138 H VAL 16 H VAL 16 -15.063 -4.385 2.101 139 HA VAL 16 HA VAL 16 -15.773 -5.578 -0.352 140 HB VAL 16 HB VAL 16 -13.151 -5.998 1.111 141 HG11 VAL 16 1HG1 VAL 16 -13.965 -6.021 -1.799 142 HG12 VAL 16 2HG1 VAL 16 -13.330 -7.370 -0.857 143 HG13 VAL 16 3HG1 VAL 16 -12.290 -6.006 -1.261 144 HG21 VAL 16 3HG2 VAL 16 -12.384 -3.898 0.323 145 HG22 VAL 16 1HG2 VAL 16 -14.010 -3.529 0.877 146 HG23 VAL 16 2HG2 VAL 16 -13.701 -3.745 -0.836 147 H MET 17 H MET 17 -15.187 -7.020 2.833 148 HA MET 17 HA MET 17 -15.029 -9.734 1.834 149 HB2 MET 17 2HB MET 17 -14.144 -9.398 4.007 150 HB3 MET 17 1HB MET 17 -15.562 -8.504 4.545 151 HG2 MET 17 2HG MET 17 -16.883 -10.480 4.660 152 HG3 MET 17 1HG MET 17 -15.706 -11.412 3.734 153 HE1 MET 17 3HE MET 17 -15.689 -13.023 7.279 154 HE2 MET 17 1HE MET 17 -16.206 -13.141 5.591 155 HE3 MET 17 2HE MET 17 -17.073 -12.092 6.709 156 H ARG 18 H ARG 18 -17.634 -7.534 2.715 157 HA ARG 18 HA ARG 18 -19.704 -9.582 2.694 158 HB2 ARG 18 2HB ARG 18 -19.879 -7.336 3.858 159 HB3 ARG 18 1HB ARG 18 -20.047 -6.600 2.264 160 HG2 ARG 18 2HG ARG 18 -22.010 -8.074 1.828 161 HG3 ARG 18 1HG ARG 18 -21.869 -8.704 3.470 162 HD2 ARG 18 2HD ARG 18 -22.292 -6.519 4.416 163 HD3 ARG 18 1HD ARG 18 -22.225 -5.766 2.823 164 HE ARG 18 HE ARG 18 -24.266 -7.821 2.950 165 HH11 ARG 18 1HH2 ARG 18 -23.432 -4.573 3.757 166 HH12 ARG 18 2HH2 ARG 18 -25.070 -4.009 3.743 167 HH21 ARG 18 1HH1 ARG 18 -26.409 -7.102 2.926 168 HH22 ARG 18 2HH1 ARG 18 -26.755 -5.440 3.273 169 H TYR 19 H TYR 19 -18.102 -7.597 0.311 170 HA TYR 19 HA TYR 19 -20.075 -8.361 -1.800 171 HB2 TYR 19 2HB TYR 19 -17.724 -6.440 -1.855 172 HB3 TYR 19 1HB TYR 19 -18.851 -6.720 -3.182 173 HD1 TYR 19 1HD TYR 19 -21.414 -6.538 -2.524 174 HD2 TYR 19 2HD TYR 19 -18.210 -4.656 -0.369 175 HE1 TYR 19 1HE TYR 19 -23.024 -4.950 -1.517 176 HE2 TYR 19 2HE TYR 19 -19.824 -3.071 0.637 177 HH TYR 19 HH TYR 19 -23.104 -2.833 -0.469 178 H GLY 20 H GLY 20 -17.087 -9.306 -0.488 179 HA2 GLY 20 2HA GLY 20 -15.919 -11.298 -1.146 180 HA3 GLY 20 1HA GLY 20 -16.634 -11.172 -2.754 181 H ALA 21 H ALA 21 -15.930 -9.156 -3.984 182 HA ALA 21 HA ALA 21 -13.769 -7.516 -3.591 183 HB1 ALA 21 1HB ALA 21 -12.134 -9.113 -3.065 184 HB2 ALA 21 2HB ALA 21 -11.910 -9.005 -4.804 185 HB3 ALA 21 3HB ALA 21 -12.849 -10.332 -4.118 186 H LYS 22 H LYS 22 -16.006 -7.417 -5.183 187 HA LYS 22 HA LYS 22 -14.798 -6.939 -7.827 188 HB2 LYS 22 2HB LYS 22 -16.364 -8.367 -9.051 189 HB3 LYS 22 1HB LYS 22 -15.399 -9.327 -7.931 190 HG2 LYS 22 2HG LYS 22 -17.294 -9.107 -6.263 191 HG3 LYS 22 1HG LYS 22 -18.259 -8.402 -7.561 192 HD2 LYS 22 2HD LYS 22 -17.941 -10.437 -8.914 193 HD3 LYS 22 1HD LYS 22 -16.962 -11.144 -7.627 194 HE2 LYS 22 2HE LYS 22 -19.365 -11.904 -7.617 195 HE3 LYS 22 1HE LYS 22 -18.844 -11.151 -6.109 196 HZ1 LYS 22 3HZ LYS 22 -21.034 -10.375 -6.996 197 HZ2 LYS 22 1HZ LYS 22 -20.194 -9.657 -8.282 198 HZ3 LYS 22 2HZ LYS 22 -19.906 -9.141 -6.690 199 H ASP 23 H ASP 23 -17.081 -6.102 -5.477 200 HA ASP 23 HA ASP 23 -18.731 -4.548 -7.450 201 HB2 ASP 23 2HB ASP 23 -19.450 -4.915 -4.539 202 HB3 ASP 23 1HB ASP 23 -20.508 -4.587 -5.909 203 H TRP 24 H TRP 24 -16.206 -3.578 -6.971 204 HA TRP 24 HA TRP 24 -16.027 -1.776 -4.756 205 HB2 TRP 24 2HB TRP 24 -14.667 -1.655 -7.466 206 HB3 TRP 24 1HB TRP 24 -14.177 -0.746 -6.030 207 HD1 TRP 24 HD TRP 24 -14.199 -4.271 -7.489 208 HE1 TRP 24 1HE TRP 24 -12.757 -5.792 -5.979 209 HE3 TRP 24 3HE TRP 24 -13.335 -1.075 -3.650 210 HZ2 TRP 24 2HZ TRP 24 -11.410 -5.643 -3.445 211 HZ3 TRP 24 3HZ TRP 24 -11.967 -1.752 -1.705 212 HH2 TRP 24 HH TRP 24 -11.009 -4.033 -1.587 213 H ILE 25 H ILE 25 -17.546 -1.546 -7.895 214 HA ILE 25 HA ILE 25 -17.863 1.304 -7.947 215 HB ILE 25 HB ILE 25 -19.894 0.679 -9.429 216 HG12 ILE 25 2HG1 ILE 25 -18.656 -2.080 -9.219 217 HG13 ILE 25 1HG1 ILE 25 -20.106 -1.609 -8.333 218 HG21 ILE 25 1HG2 ILE 25 -18.442 -0.009 -11.291 219 HG22 ILE 25 2HG2 ILE 25 -17.168 -0.440 -10.149 220 HG23 ILE 25 3HG2 ILE 25 -17.657 1.245 -10.330 221 HD11 ILE 25 3HD1 ILE 25 -20.736 -2.718 -10.424 222 HD12 ILE 25 1HD1 ILE 25 -19.764 -1.571 -11.346 223 HD13 ILE 25 2HD1 ILE 25 -21.201 -1.019 -10.485 224 H ARG 26 H ARG 26 -19.490 -1.337 -6.362 225 HA ARG 26 HA ARG 26 -21.772 0.252 -5.509 226 HB2 ARG 26 2HB ARG 26 -21.871 -2.235 -5.806 227 HB3 ARG 26 1HB ARG 26 -20.771 -2.400 -4.437 228 HG2 ARG 26 2HG ARG 26 -22.369 -1.357 -2.946 229 HG3 ARG 26 1HG ARG 26 -23.439 -0.971 -4.295 230 HD2 ARG 26 2HD ARG 26 -22.642 -3.804 -3.585 231 HD3 ARG 26 1HD ARG 26 -24.095 -3.028 -2.957 232 HE ARG 26 HE ARG 26 -23.985 -2.824 -5.835 233 HH11 ARG 26 1HH2 ARG 26 -24.606 -4.932 -3.177 234 HH12 ARG 26 2HH2 ARG 26 -25.705 -5.938 -4.061 235 HH21 ARG 26 1HH1 ARG 26 -25.417 -4.124 -7.002 236 HH22 ARG 26 2HH1 ARG 26 -26.165 -5.480 -6.225 237 H ILE 27 H ILE 27 -18.923 -1.179 -3.908 238 HA ILE 27 HA ILE 27 -19.311 -0.029 -1.374 239 HB ILE 27 HB ILE 27 -16.668 -0.484 -2.784 240 HG12 ILE 27 2HG1 ILE 27 -18.215 -2.325 -0.942 241 HG13 ILE 27 1HG1 ILE 27 -18.236 -2.465 -2.698 242 HG21 ILE 27 1HG2 ILE 27 -16.356 0.856 -0.800 243 HG22 ILE 27 2HG2 ILE 27 -15.878 -0.790 -0.395 244 HG23 ILE 27 3HG2 ILE 27 -17.443 -0.174 0.130 245 HD11 ILE 27 3HD1 ILE 27 -15.680 -2.611 -2.571 246 HD12 ILE 27 1HD1 ILE 27 -16.567 -4.002 -1.950 247 HD13 ILE 27 2HD1 ILE 27 -15.883 -2.823 -0.833 248 H SER 28 H SER 28 -17.982 1.349 -4.322 249 HA SER 28 HA SER 28 -16.997 3.764 -3.049 250 HB2 SER 28 2HB SER 28 -17.558 3.040 -5.929 251 HB3 SER 28 1HB SER 28 -16.902 4.600 -5.439 252 HG SER 28 HG SER 28 -15.041 3.664 -5.258 253 H GLN 29 H GLN 29 -20.061 2.741 -4.441 254 HA GLN 29 HA GLN 29 -21.205 5.362 -4.740 255 HB2 GLN 29 2HB GLN 29 -22.391 2.612 -4.324 256 HB3 GLN 29 1HB GLN 29 -23.428 4.034 -4.378 257 HG2 GLN 29 2HG GLN 29 -21.392 3.578 -6.568 258 HG3 GLN 29 1HG GLN 29 -22.932 2.722 -6.610 259 HE21 GLN 29 1HE2 GLN 29 -24.842 3.947 -7.112 260 HE22 GLN 29 2HE2 GLN 29 -24.790 5.583 -7.556 261 H LEU 30 H LEU 30 -20.931 3.147 -2.003 262 HA LEU 30 HA LEU 30 -22.483 4.892 -0.223 263 HB2 LEU 30 2HB LEU 30 -20.606 2.694 0.681 264 HB3 LEU 30 1HB LEU 30 -22.093 3.256 1.446 265 HG LEU 30 HG LEU 30 -21.872 1.721 -1.162 266 HD11 LEU 30 1HD1 LEU 30 -23.138 0.004 0.114 267 HD12 LEU 30 2HD1 LEU 30 -23.023 1.017 1.554 268 HD13 LEU 30 3HD1 LEU 30 -21.563 0.338 0.834 269 HD21 LEU 30 3HD2 LEU 30 -24.421 1.709 -0.942 270 HD22 LEU 30 1HD2 LEU 30 -23.704 3.250 -1.406 271 HD23 LEU 30 2HD2 LEU 30 -24.233 2.989 0.255 272 H MET 31 H MET 31 -19.087 4.091 -0.822 273 HA MET 31 HA MET 31 -18.223 6.365 0.939 274 HB2 MET 31 2HB MET 31 -16.758 3.916 -0.085 275 HB3 MET 31 1HB MET 31 -15.967 5.244 0.767 276 HG2 MET 31 2HG MET 31 -17.394 4.885 2.721 277 HG3 MET 31 1HG MET 31 -18.273 3.614 1.870 278 HE1 MET 31 3HE MET 31 -15.713 2.354 4.816 279 HE2 MET 31 1HE MET 31 -17.416 2.702 4.491 280 HE3 MET 31 2HE MET 31 -16.252 4.018 4.618 281 H ILE 32 H ILE 32 -19.186 7.378 -1.316 282 HA ILE 32 HA ILE 32 -17.599 7.372 -3.647 283 HB ILE 32 HB ILE 32 -18.832 9.970 -2.717 284 HG12 ILE 32 2HG1 ILE 32 -21.053 8.847 -3.684 285 HG13 ILE 32 1HG1 ILE 32 -20.289 7.354 -3.152 286 HG21 ILE 32 1HG2 ILE 32 -19.428 10.185 -5.032 287 HG22 ILE 32 2HG2 ILE 32 -19.061 8.490 -5.351 288 HG23 ILE 32 3HG2 ILE 32 -17.758 9.622 -4.987 289 HD11 ILE 32 3HD1 ILE 32 -21.463 9.559 -1.559 290 HD12 ILE 32 1HD1 ILE 32 -19.945 8.927 -0.919 291 HD13 ILE 32 2HD1 ILE 32 -21.315 7.848 -1.171 292 H THR 33 H THR 33 -16.672 8.295 -0.571 293 HA THR 33 HA THR 33 -15.107 10.591 -0.869 294 HB THR 33 HB THR 33 -13.727 9.720 0.961 295 HG1 THR 33 1HG THR 33 -13.928 7.582 1.575 296 HG21 THR 33 3HG2 THR 33 -16.602 8.826 1.296 297 HG22 THR 33 1HG2 THR 33 -16.069 10.504 1.400 298 HG23 THR 33 2HG2 THR 33 -15.492 9.321 2.574 299 H ARG 34 H ARG 34 -14.677 7.542 -2.431 300 HA ARG 34 HA ARG 34 -12.264 8.583 -3.747 301 HB2 ARG 34 2HB ARG 34 -11.794 7.119 -1.511 302 HB3 ARG 34 1HB ARG 34 -11.939 5.796 -2.659 303 HG2 ARG 34 2HG ARG 34 -9.608 6.448 -2.534 304 HG3 ARG 34 1HG ARG 34 -10.235 6.931 -4.106 305 HD2 ARG 34 2HD ARG 34 -10.525 9.026 -2.021 306 HD3 ARG 34 1HD ARG 34 -8.857 8.617 -2.417 307 HE ARG 34 HE ARG 34 -9.966 8.897 -4.901 308 HH11 ARG 34 1HH2 ARG 34 -10.033 10.783 -2.011 309 HH12 ARG 34 2HH2 ARG 34 -10.179 12.294 -2.844 310 HH21 ARG 34 1HH1 ARG 34 -10.155 10.859 -6.001 311 HH22 ARG 34 2HH1 ARG 34 -10.247 12.338 -5.102 312 H ASN 35 H ASN 35 -11.494 6.976 -5.450 313 HA ASN 35 HA ASN 35 -13.832 6.096 -6.983 314 HB2 ASN 35 2HB ASN 35 -10.866 6.324 -7.499 315 HB3 ASN 35 1HB ASN 35 -11.878 5.428 -8.625 316 HD21 ASN 35 1HD2 ASN 35 -11.760 6.979 -10.356 317 HD22 ASN 35 2HD2 ASN 35 -12.434 8.533 -10.237 318 HA PRO 36 HA PRO 36 -13.703 1.839 -5.788 319 HB2 PRO 36 2HB PRO 36 -14.242 0.547 -8.182 320 HB3 PRO 36 1HB PRO 36 -15.466 1.383 -7.212 321 HG2 PRO 36 2HG PRO 36 -13.971 2.377 -9.601 322 HG3 PRO 36 1HG PRO 36 -15.701 2.513 -9.222 323 HD2 PRO 36 2HD PRO 36 -14.038 4.590 -8.807 324 HD3 PRO 36 1HD PRO 36 -15.358 4.247 -7.669 325 H ARG 37 H ARG 37 -11.765 2.747 -8.608 326 HA ARG 37 HA ARG 37 -10.129 0.373 -8.620 327 HB2 ARG 37 2HB ARG 37 -9.619 3.165 -9.688 328 HB3 ARG 37 1HB ARG 37 -8.579 1.775 -10.004 329 HG2 ARG 37 2HG ARG 37 -10.555 0.580 -10.971 330 HG3 ARG 37 1HG ARG 37 -11.498 2.057 -10.772 331 HD2 ARG 37 2HD ARG 37 -10.626 1.917 -13.063 332 HD3 ARG 37 1HD ARG 37 -9.879 3.267 -12.210 333 HE ARG 37 HE ARG 37 -8.294 0.857 -11.963 334 HH11 ARG 37 1HH2 ARG 37 -9.182 3.478 -14.022 335 HH12 ARG 37 2HH2 ARG 37 -7.699 3.451 -14.915 336 HH21 ARG 37 1HH1 ARG 37 -6.353 0.809 -13.119 337 HH22 ARG 37 2HH1 ARG 37 -6.098 1.940 -14.406 338 H GLN 38 H GLN 38 -10.045 3.402 -6.857 339 HA GLN 38 HA GLN 38 -7.315 3.097 -5.917 340 HB2 GLN 38 2HB GLN 38 -9.629 4.812 -4.984 341 HB3 GLN 38 1HB GLN 38 -8.020 4.883 -4.264 342 HG2 GLN 38 2HG GLN 38 -7.070 5.382 -6.515 343 HG3 GLN 38 1HG GLN 38 -8.707 5.410 -7.171 344 HE21 GLN 38 1HE2 GLN 38 -9.476 7.514 -7.351 345 HE22 GLN 38 2HE2 GLN 38 -9.117 8.783 -6.282 346 H CYS 39 H CYS 39 -10.527 2.274 -4.550 347 HA CYS 39 HA CYS 39 -9.338 1.355 -2.046 348 HB2 CYS 39 2HB CYS 39 -12.071 0.833 -3.237 349 HB3 CYS 39 1HB CYS 39 -11.599 0.540 -1.567 350 HG CYS 39 HG CYS 39 -11.427 3.080 -1.172 351 H ARG 40 H ARG 40 -9.994 0.063 -5.195 352 HA ARG 40 HA ARG 40 -9.955 -2.737 -4.511 353 HB2 ARG 40 2HB ARG 40 -10.804 -2.097 -6.671 354 HB3 ARG 40 1HB ARG 40 -9.343 -1.193 -7.044 355 HG2 ARG 40 2HG ARG 40 -9.476 -3.395 -8.233 356 HG3 ARG 40 1HG ARG 40 -8.046 -3.251 -7.219 357 HD2 ARG 40 2HD ARG 40 -9.007 -4.640 -5.521 358 HD3 ARG 40 1HD ARG 40 -10.603 -4.552 -6.263 359 HE ARG 40 HE ARG 40 -8.815 -5.680 -8.161 360 HH11 ARG 40 1HH2 ARG 40 -10.258 -6.316 -5.093 361 HH12 ARG 40 2HH2 ARG 40 -10.248 -8.037 -5.297 362 HH21 ARG 40 1HH1 ARG 40 -8.795 -7.922 -8.443 363 HH22 ARG 40 2HH1 ARG 40 -9.421 -8.945 -7.194 364 H GLU 41 H GLU 41 -7.479 -0.416 -5.573 365 HA GLU 41 HA GLU 41 -5.257 -2.125 -5.691 366 HB2 GLU 41 2HB GLU 41 -5.500 0.772 -4.841 367 HB3 GLU 41 1HB GLU 41 -3.939 -0.039 -4.976 368 HG2 GLU 41 2HG GLU 41 -4.259 -0.458 -7.318 369 HG3 GLU 41 1HG GLU 41 -5.950 0.034 -7.239 370 H ARG 42 H ARG 42 -6.994 -0.913 -2.869 371 HA ARG 42 HA ARG 42 -4.854 -1.606 -1.005 372 HB2 ARG 42 2HB ARG 42 -7.737 -0.816 -0.760 373 HB3 ARG 42 1HB ARG 42 -7.003 -1.607 0.626 374 HG2 ARG 42 2HG ARG 42 -5.739 0.791 -0.737 375 HG3 ARG 42 1HG ARG 42 -6.898 0.957 0.577 376 HD2 ARG 42 2HD ARG 42 -5.314 -0.666 1.879 377 HD3 ARG 42 1HD ARG 42 -4.120 -0.219 0.666 378 HE ARG 42 HE ARG 42 -5.186 1.525 2.773 379 HH11 ARG 42 1HH2 ARG 42 -3.581 1.233 -0.270 380 HH12 ARG 42 2HH2 ARG 42 -2.810 2.779 -0.159 381 HH21 ARG 42 1HH1 ARG 42 -4.188 3.545 2.928 382 HH22 ARG 42 2HH1 ARG 42 -3.156 4.088 1.648 383 H TRP 43 H TRP 43 -7.710 -3.287 -2.251 384 HA TRP 43 HA TRP 43 -7.871 -5.542 -0.638 385 HB2 TRP 43 2HB TRP 43 -9.244 -5.050 -2.687 386 HB3 TRP 43 1HB TRP 43 -7.883 -5.572 -3.664 387 HD1 TRP 43 HD TRP 43 -8.021 -7.984 -4.394 388 HE1 TRP 43 1HE TRP 43 -9.112 -10.139 -3.500 389 HE3 TRP 43 3HE TRP 43 -10.061 -6.214 -0.058 390 HZ2 TRP 43 2HZ TRP 43 -10.637 -11.004 -1.242 391 HZ3 TRP 43 3HZ TRP 43 -11.322 -7.724 1.445 392 HH2 TRP 43 HH TRP 43 -11.615 -10.115 0.858 393 H ASN 44 H ASN 44 -5.787 -5.385 -3.555 394 HA ASN 44 HA ASN 44 -4.363 -7.794 -2.692 395 HB2 ASN 44 2HB ASN 44 -3.602 -5.879 -4.909 396 HB3 ASN 44 1HB ASN 44 -3.119 -7.568 -4.736 397 HD21 ASN 44 1HD2 ASN 44 -5.980 -5.484 -5.305 398 HD22 ASN 44 2HD2 ASN 44 -6.897 -6.687 -6.075 399 H ASN 45 H ASN 45 -3.749 -4.317 -2.561 400 HA ASN 45 HA ASN 45 -0.953 -4.774 -1.700 401 HB2 ASN 45 2HB ASN 45 -2.490 -2.163 -1.802 402 HB3 ASN 45 1HB ASN 45 -0.741 -2.376 -1.750 403 HD21 ASN 45 1HD2 ASN 45 -2.274 -1.013 -3.894 404 HD22 ASN 45 2HD2 ASN 45 -1.966 -1.877 -5.321 405 H TYR 46 H TYR 46 -3.609 -5.379 -0.012 406 HA TYR 46 HA TYR 46 -2.278 -4.588 2.491 407 HB2 TYR 46 2HB TYR 46 -4.045 -2.756 1.520 408 HB3 TYR 46 1HB TYR 46 -5.146 -3.746 2.470 409 HD1 TYR 46 1HD TYR 46 -4.004 -4.517 4.843 410 HD2 TYR 46 2HD TYR 46 -3.097 -0.922 2.673 411 HE1 TYR 46 1HE TYR 46 -3.203 -3.461 6.932 412 HE2 TYR 46 2HE TYR 46 -2.298 0.133 4.764 413 HH TYR 46 HH TYR 46 -1.949 -1.702 7.735 414 H ILE 47 H ILE 47 -5.411 -5.928 1.268 415 HA ILE 47 HA ILE 47 -4.869 -8.314 2.946 416 HB ILE 47 HB ILE 47 -6.812 -8.266 4.248 417 HG12 ILE 47 2HG1 ILE 47 -8.492 -7.729 2.510 418 HG13 ILE 47 1HG1 ILE 47 -8.712 -6.745 3.937 419 HG21 ILE 47 1HG2 ILE 47 -6.860 -6.073 5.345 420 HG22 ILE 47 2HG2 ILE 47 -6.012 -5.358 3.978 421 HG23 ILE 47 3HG2 ILE 47 -5.207 -6.561 4.981 422 HD11 ILE 47 3HD1 ILE 47 -8.893 -5.437 1.820 423 HD12 ILE 47 1HD1 ILE 47 -7.208 -5.809 1.499 424 HD13 ILE 47 2HD1 ILE 47 -7.636 -4.846 2.900 425 H ASN 48 H ASN 48 -5.109 -10.009 1.770 426 HA ASN 48 HA ASN 48 -7.376 -10.837 0.344 427 HB2 ASN 48 2HB ASN 48 -7.239 -9.755 -1.663 428 HB3 ASN 48 1HB ASN 48 -5.758 -8.989 -1.171 429 HD21 ASN 48 1HD2 ASN 48 -3.767 -9.771 -2.034 430 HD22 ASN 48 2HD2 ASN 48 -3.691 -11.039 -3.160 431 HA PRO 49 HA PRO 49 -3.814 -13.869 -0.286 432 HB2 PRO 49 2HB PRO 49 -1.258 -13.072 -0.358 433 HB3 PRO 49 1HB PRO 49 -2.381 -12.598 -1.646 434 HG2 PRO 49 2HG PRO 49 -1.271 -10.947 0.568 435 HG3 PRO 49 1HG PRO 49 -1.785 -10.454 -1.056 436 HD2 PRO 49 2HD PRO 49 -3.338 -10.338 1.404 437 HD3 PRO 49 1HD PRO 49 -3.839 -9.838 -0.220 438 H ALA 50 H ALA 50 -1.115 -12.677 1.386 439 HA ALA 50 HA ALA 50 -1.833 -13.122 4.116 440 HB1 ALA 50 1HB ALA 50 -2.118 -15.452 3.566 441 HB2 ALA 50 2HB ALA 50 -0.552 -15.316 4.366 442 HB3 ALA 50 3HB ALA 50 -0.636 -15.469 2.611 443 H LEU 51 H LEU 51 -0.271 -11.470 2.270 444 HA LEU 51 HA LEU 51 2.530 -11.879 2.570 445 HB2 LEU 51 2HB LEU 51 2.668 -9.403 2.034 446 HB3 LEU 51 1HB LEU 51 1.797 -10.390 0.872 447 HG LEU 51 HG LEU 51 -0.334 -9.691 2.352 448 HD11 LEU 51 1HD1 LEU 51 -0.058 -7.288 3.091 449 HD12 LEU 51 2HD1 LEU 51 1.683 -7.518 2.955 450 HD13 LEU 51 3HD1 LEU 51 0.752 -8.471 4.106 451 HD21 LEU 51 3HD2 LEU 51 0.934 -7.669 0.492 452 HD22 LEU 51 1HD2 LEU 51 -0.783 -7.885 0.820 453 HD23 LEU 51 2HD2 LEU 51 0.103 -9.118 -0.070 454 H ARG 52 H ARG 52 0.736 -11.850 5.123 455 HA ARG 52 HA ARG 52 1.349 -9.694 6.790 456 HB2 ARG 52 2HB ARG 52 1.262 -12.641 7.501 457 HB3 ARG 52 1HB ARG 52 1.217 -11.324 8.672 458 HG2 ARG 52 2HG ARG 52 -0.816 -10.435 7.455 459 HG3 ARG 52 1HG ARG 52 -0.823 -11.930 6.517 460 HD2 ARG 52 2HD ARG 52 -1.016 -11.738 9.537 461 HD3 ARG 52 1HD ARG 52 -2.346 -12.114 8.442 462 HE ARG 52 HE ARG 52 -0.384 -14.012 7.865 463 HH11 ARG 52 1HH2 ARG 52 -2.153 -12.918 10.615 464 HH12 ARG 52 2HH2 ARG 52 -2.142 -14.461 11.402 465 HH21 ARG 52 1HH1 ARG 52 -0.359 -16.033 8.878 466 HH22 ARG 52 2HH1 ARG 52 -1.127 -16.223 10.419 467 H THR 53 H THR 53 3.571 -11.768 5.276 468 HA THR 53 HA THR 53 5.798 -10.536 6.752 469 HB THR 53 HB THR 53 5.579 -13.559 6.697 470 HG1 THR 53 1HG THR 53 5.042 -11.717 8.784 471 HG21 THR 53 3HG2 THR 53 7.375 -11.691 8.269 472 HG22 THR 53 1HG2 THR 53 7.854 -12.524 6.791 473 HG23 THR 53 2HG2 THR 53 7.459 -13.452 8.238 474 H ASP 54 H ASP 54 5.658 -9.830 4.339 475 HA ASP 54 HA ASP 54 7.365 -11.678 2.683 476 HB2 ASP 54 2HB ASP 54 5.027 -9.940 1.857 477 HB3 ASP 54 1HB ASP 54 6.198 -10.575 0.700 478 HA PRO 55 HA PRO 55 9.188 -7.366 3.331 479 HB2 PRO 55 2HB PRO 55 11.571 -8.152 4.448 480 HB3 PRO 55 1HB PRO 55 10.107 -7.860 5.414 481 HG2 PRO 55 2HG PRO 55 11.199 -10.451 4.379 482 HG3 PRO 55 1HG PRO 55 10.607 -10.056 6.006 483 HD2 PRO 55 2HD PRO 55 9.043 -11.370 4.240 484 HD3 PRO 55 1HD PRO 55 8.348 -10.174 5.357 485 H TRP 56 H TRP 56 10.378 -6.504 1.700 486 HA TRP 56 HA TRP 56 11.419 -8.271 -0.386 487 HB2 TRP 56 2HB TRP 56 12.167 -5.848 -1.288 488 HB3 TRP 56 1HB TRP 56 10.515 -6.427 -1.432 489 HD1 TRP 56 HD TRP 56 8.741 -5.528 0.417 490 HE1 TRP 56 1HE TRP 56 8.639 -3.264 1.648 491 HE3 TRP 56 3HE TRP 56 13.562 -4.004 -0.220 492 HZ2 TRP 56 2HZ TRP 56 10.404 -1.087 2.271 493 HZ3 TRP 56 3HZ TRP 56 14.320 -1.840 0.681 494 HH2 TRP 56 HH TRP 56 12.760 -0.379 1.933 495 H SER 57 H SER 57 13.687 -7.010 -1.315 496 HA SER 57 HA SER 57 15.642 -7.099 0.956 497 HB2 SER 57 2HB SER 57 16.539 -8.461 -1.526 498 HB3 SER 57 1HB SER 57 16.659 -8.999 0.150 499 HG SER 57 HG SER 57 14.495 -9.622 0.042 500 HA PRO 58 HA PRO 58 18.124 -3.901 -0.821 501 HB2 PRO 58 2HB PRO 58 20.010 -5.910 -2.041 502 HB3 PRO 58 1HB PRO 58 20.387 -4.432 -1.123 503 HG2 PRO 58 2HG PRO 58 20.539 -6.743 0.096 504 HG3 PRO 58 1HG PRO 58 19.726 -5.391 0.913 505 HD2 PRO 58 2HD PRO 58 18.501 -7.759 -0.475 506 HD3 PRO 58 1HD PRO 58 17.995 -6.971 1.039 507 H GLU 59 H GLU 59 16.939 -6.305 -2.956 508 HA GLU 59 HA GLU 59 17.698 -5.077 -5.449 509 HB2 GLU 59 2HB GLU 59 15.503 -7.054 -4.747 510 HB3 GLU 59 1HB GLU 59 15.899 -6.561 -6.395 511 HG2 GLU 59 2HG GLU 59 18.234 -7.355 -6.037 512 HG3 GLU 59 1HG GLU 59 17.766 -7.931 -4.437 513 H GLU 60 H GLU 60 14.826 -4.978 -3.334 514 HA GLU 60 HA GLU 60 13.539 -3.008 -5.117 515 HB2 GLU 60 2HB GLU 60 12.656 -3.818 -2.345 516 HB3 GLU 60 1HB GLU 60 11.681 -3.118 -3.629 517 HG2 GLU 60 2HG GLU 60 12.972 -5.861 -3.667 518 HG3 GLU 60 1HG GLU 60 11.251 -5.524 -3.484 519 H ASP 61 H ASP 61 15.426 -3.120 -2.138 520 HA ASP 61 HA ASP 61 14.887 -0.488 -1.201 521 HB2 ASP 61 2HB ASP 61 16.387 -2.440 -0.187 522 HB3 ASP 61 1HB ASP 61 17.686 -1.622 -1.046 523 H MET 62 H MET 62 17.610 -1.595 -3.239 524 HA MET 62 HA MET 62 18.561 1.001 -3.888 525 HB2 MET 62 2HB MET 62 18.757 -1.600 -5.435 526 HB3 MET 62 1HB MET 62 19.679 -0.144 -5.811 527 HG2 MET 62 2HG MET 62 20.594 -0.195 -3.473 528 HG3 MET 62 1HG MET 62 19.787 -1.746 -3.241 529 HE1 MET 62 3HE MET 62 23.274 -3.113 -3.489 530 HE2 MET 62 1HE MET 62 21.631 -3.568 -3.017 531 HE3 MET 62 2HE MET 62 22.317 -2.038 -2.473 532 H LEU 63 H LEU 63 16.165 -1.099 -5.496 533 HA LEU 63 HA LEU 63 15.782 0.839 -7.679 534 HB2 LEU 63 2HB LEU 63 14.487 -1.747 -6.855 535 HB3 LEU 63 1HB LEU 63 13.651 -0.721 -8.007 536 HG LEU 63 HG LEU 63 15.156 -2.530 -8.996 537 HD11 LEU 63 1HD1 LEU 63 16.086 0.202 -9.886 538 HD12 LEU 63 2HD1 LEU 63 14.421 -0.314 -10.147 539 HD13 LEU 63 3HD1 LEU 63 15.747 -1.228 -10.854 540 HD21 LEU 63 3HD2 LEU 63 17.009 -2.025 -7.258 541 HD22 LEU 63 1HD2 LEU 63 17.448 -0.679 -8.308 542 HD23 LEU 63 2HD2 LEU 63 17.509 -2.330 -8.917 543 H LEU 64 H LEU 64 14.541 0.421 -4.489 544 HA LEU 64 HA LEU 64 12.083 1.950 -4.941 545 HB2 LEU 64 2HB LEU 64 12.088 0.304 -3.161 546 HB3 LEU 64 1HB LEU 64 13.512 1.019 -2.421 547 HG LEU 64 HG LEU 64 11.273 1.515 -1.306 548 HD11 LEU 64 1HD1 LEU 64 12.046 3.482 -0.467 549 HD12 LEU 64 2HD1 LEU 64 12.333 4.196 -2.044 550 HD13 LEU 64 3HD1 LEU 64 13.499 3.067 -1.366 551 HD21 LEU 64 3HD2 LEU 64 10.846 3.476 -3.559 552 HD22 LEU 64 1HD2 LEU 64 9.715 2.984 -2.304 553 HD23 LEU 64 2HD2 LEU 64 10.140 1.863 -3.593 554 H ASP 65 H ASP 65 15.321 2.547 -3.570 555 HA ASP 65 HA ASP 65 14.985 5.196 -2.700 556 HB2 ASP 65 2HB ASP 65 17.369 4.010 -4.158 557 HB3 ASP 65 1HB ASP 65 17.392 5.507 -3.224 558 H GLN 66 H GLN 66 15.245 3.933 -5.970 559 HA GLN 66 HA GLN 66 15.477 6.564 -7.220 560 HB2 GLN 66 2HB GLN 66 16.328 4.380 -8.214 561 HB3 GLN 66 1HB GLN 66 14.645 3.961 -8.530 562 HG2 GLN 66 2HG GLN 66 15.481 4.965 -10.542 563 HG3 GLN 66 1HG GLN 66 14.447 6.172 -9.777 564 HE21 GLN 66 1HE2 GLN 66 17.808 5.345 -10.522 565 HE22 GLN 66 2HE2 GLN 66 18.459 6.853 -10.098 566 H LYS 67 H LYS 67 12.863 4.194 -6.680 567 HA LYS 67 HA LYS 67 10.868 5.697 -8.118 568 HB2 LYS 67 2HB LYS 67 10.587 3.649 -5.900 569 HB3 LYS 67 1HB LYS 67 9.249 4.273 -6.861 570 HG2 LYS 67 2HG LYS 67 10.163 3.356 -8.885 571 HG3 LYS 67 1HG LYS 67 11.678 2.944 -8.081 572 HD2 LYS 67 2HD LYS 67 10.415 1.383 -6.594 573 HD3 LYS 67 1HD LYS 67 8.956 1.732 -7.521 574 HE2 LYS 67 2HE LYS 67 11.509 0.478 -8.569 575 HE3 LYS 67 1HE LYS 67 9.944 -0.313 -8.384 576 HZ1 LYS 67 3HZ LYS 67 9.293 1.804 -9.875 577 HZ2 LYS 67 1HZ LYS 67 9.688 0.284 -10.514 578 HZ3 LYS 67 2HZ LYS 67 10.867 1.505 -10.439 579 H TYR 68 H TYR 68 11.491 5.371 -4.603 580 HA TYR 68 HA TYR 68 9.634 7.226 -3.620 581 HB2 TYR 68 2HB TYR 68 10.873 6.046 -1.983 582 HB3 TYR 68 1HB TYR 68 12.411 6.415 -2.757 583 HD1 TYR 68 1HD TYR 68 13.332 8.752 -2.648 584 HD2 TYR 68 2HD TYR 68 9.954 7.506 -0.306 585 HE1 TYR 68 1HE TYR 68 13.643 10.708 -1.167 586 HE2 TYR 68 2HE TYR 68 10.272 9.464 1.177 587 HH TYR 68 HH TYR 68 11.340 11.817 0.920 588 H ALA 69 H ALA 69 12.866 7.792 -4.949 589 HA ALA 69 HA ALA 69 13.051 10.577 -4.557 590 HB1 ALA 69 1HB ALA 69 14.828 8.995 -5.480 591 HB2 ALA 69 2HB ALA 69 14.702 10.544 -6.310 592 HB3 ALA 69 3HB ALA 69 13.996 9.099 -7.031 593 H GLU 70 H GLU 70 11.212 8.690 -6.866 594 HA GLU 70 HA GLU 70 10.378 11.100 -8.377 595 HB2 GLU 70 2HB GLU 70 9.865 8.136 -8.726 596 HB3 GLU 70 1HB GLU 70 9.127 9.373 -9.745 597 HG2 GLU 70 2HG GLU 70 11.328 10.166 -10.444 598 HG3 GLU 70 1HG GLU 70 12.113 9.024 -9.353 599 H TYR 71 H TYR 71 8.746 8.357 -6.715 600 HA TYR 71 HA TYR 71 6.286 9.996 -6.511 601 HB2 TYR 71 2HB TYR 71 6.638 7.140 -5.613 602 HB3 TYR 71 1HB TYR 71 5.150 7.970 -6.075 603 HD1 TYR 71 2HD TYR 71 4.643 8.465 -8.425 604 HD2 TYR 71 1HD TYR 71 8.204 6.346 -7.303 605 HE1 TYR 71 2HE TYR 71 4.967 7.764 -10.781 606 HE2 TYR 71 1HE TYR 71 8.531 5.643 -9.658 607 HH TYR 71 HH TYR 71 7.118 5.322 -11.691 608 H GLY 72 H GLY 72 8.807 8.752 -4.382 609 HA2 GLY 72 2HA GLY 72 9.218 9.516 -2.162 610 HA3 GLY 72 1HA GLY 72 7.691 10.397 -2.207 611 HA PRO 73 HA PRO 73 7.105 6.665 0.532 612 HB2 PRO 73 2HB PRO 73 5.227 8.559 1.886 613 HB3 PRO 73 1HB PRO 73 6.495 7.535 2.593 614 HG2 PRO 73 2HG PRO 73 6.805 10.186 2.380 615 HG3 PRO 73 1HG PRO 73 8.167 9.073 2.145 616 HD2 PRO 73 2HD PRO 73 6.542 10.521 0.060 617 HD3 PRO 73 1HD PRO 73 8.295 10.221 0.106 618 H LYS 74 H LYS 74 5.629 7.555 -2.039 619 HA LYS 74 HA LYS 74 2.811 7.019 -1.417 620 HB2 LYS 74 2HB LYS 74 4.375 7.345 -3.979 621 HB3 LYS 74 1HB LYS 74 2.653 6.970 -3.962 622 HG2 LYS 74 2HG LYS 74 2.269 9.016 -2.573 623 HG3 LYS 74 1HG LYS 74 3.979 9.413 -2.749 624 HD2 LYS 74 2HD LYS 74 3.763 9.651 -5.133 625 HD3 LYS 74 1HD LYS 74 2.132 8.983 -5.110 626 HE2 LYS 74 2HE LYS 74 2.139 11.470 -5.295 627 HE3 LYS 74 1HE LYS 74 1.321 10.904 -3.838 628 HZ1 LYS 74 3HZ LYS 74 2.812 12.716 -3.326 629 HZ2 LYS 74 1HZ LYS 74 4.121 11.879 -4.004 630 HZ3 LYS 74 2HZ LYS 74 3.371 11.287 -2.599 631 H TRP 75 H TRP 75 3.740 4.924 -0.311 632 HA TRP 75 HA TRP 75 4.700 2.738 -1.755 633 HB2 TRP 75 2HB TRP 75 2.619 2.361 0.380 634 HB3 TRP 75 1HB TRP 75 4.066 1.412 0.074 635 HD1 TRP 75 HD TRP 75 2.834 3.681 2.496 636 HE1 TRP 75 1HE TRP 75 4.715 4.912 3.746 637 HE3 TRP 75 3HE TRP 75 6.756 2.818 -0.681 638 HZ2 TRP 75 2HZ TRP 75 7.489 5.488 3.440 639 HZ3 TRP 75 3HZ TRP 75 8.998 3.728 -0.171 640 HH2 TRP 75 HH TRP 75 9.372 5.062 1.883 641 H ASN 76 H ASN 76 1.788 4.333 -2.220 642 HA ASN 76 HA ASN 76 0.126 2.101 -3.017 643 HB2 ASN 76 2HB ASN 76 -0.865 4.273 -2.422 644 HB3 ASN 76 1HB ASN 76 -0.024 5.039 -3.769 645 HD21 ASN 76 1HD2 ASN 76 -2.838 3.199 -2.885 646 HD22 ASN 76 2HD2 ASN 76 -3.476 3.033 -4.449 647 H LYS 77 H LYS 77 2.403 4.251 -4.647 648 HA LYS 77 HA LYS 77 1.855 3.082 -7.293 649 HB2 LYS 77 2HB LYS 77 4.106 4.904 -6.385 650 HB3 LYS 77 1HB LYS 77 3.667 4.549 -8.053 651 HG2 LYS 77 2HG LYS 77 1.694 5.784 -6.112 652 HG3 LYS 77 1HG LYS 77 2.804 6.771 -7.059 653 HD2 LYS 77 2HD LYS 77 1.892 5.612 -9.136 654 HD3 LYS 77 1HD LYS 77 0.645 4.917 -8.101 655 HE2 LYS 77 2HE LYS 77 0.045 7.250 -7.379 656 HE3 LYS 77 1HE LYS 77 1.168 7.857 -8.596 657 HZ1 LYS 77 3HZ LYS 77 -0.174 7.223 -10.288 658 HZ2 LYS 77 1HZ LYS 77 -1.374 7.455 -9.112 659 HZ3 LYS 77 2HZ LYS 77 -0.811 5.889 -9.451 660 H ILE 78 H ILE 78 4.252 2.873 -4.717 661 HA ILE 78 HA ILE 78 6.092 1.185 -6.154 662 HB ILE 78 HB ILE 78 5.719 1.197 -3.151 663 HG12 ILE 78 2HG1 ILE 78 5.661 3.534 -3.747 664 HG13 ILE 78 1HG1 ILE 78 7.281 3.186 -3.154 665 HG21 ILE 78 1HG2 ILE 78 7.398 -0.323 -4.296 666 HG22 ILE 78 2HG2 ILE 78 8.083 0.779 -3.102 667 HG23 ILE 78 3HG2 ILE 78 8.243 1.131 -4.823 668 HD11 ILE 78 3HD1 ILE 78 7.879 2.797 -5.652 669 HD12 ILE 78 1HD1 ILE 78 7.656 4.458 -5.103 670 HD13 ILE 78 2HD1 ILE 78 6.369 3.643 -5.992 671 H SER 79 H SER 79 3.645 0.465 -3.652 672 HA SER 79 HA SER 79 3.835 -2.321 -3.612 673 HB2 SER 79 2HB SER 79 2.336 -0.952 -2.152 674 HB3 SER 79 1HB SER 79 1.251 -0.741 -3.524 675 HG SER 79 HG SER 79 1.468 -2.810 -1.835 676 H LYS 80 H LYS 80 2.589 -0.302 -6.177 677 HA LYS 80 HA LYS 80 1.127 -2.467 -7.478 678 HB2 LYS 80 2HB LYS 80 0.284 -0.777 -8.771 679 HB3 LYS 80 1HB LYS 80 1.142 0.316 -7.696 680 HG2 LYS 80 2HG LYS 80 3.134 0.155 -9.238 681 HG3 LYS 80 1HG LYS 80 2.130 -0.779 -10.347 682 HD2 LYS 80 2HD LYS 80 0.485 1.142 -10.328 683 HD3 LYS 80 1HD LYS 80 1.689 2.075 -9.439 684 HE2 LYS 80 2HE LYS 80 1.887 0.970 -12.243 685 HE3 LYS 80 1HE LYS 80 2.045 2.646 -11.717 686 HZ1 LYS 80 3HZ LYS 80 3.909 0.456 -10.981 687 HZ2 LYS 80 1HZ LYS 80 4.078 2.096 -10.587 688 HZ3 LYS 80 2HZ LYS 80 4.192 1.597 -12.206 689 H PHE 81 H PHE 81 4.386 -1.268 -7.421 690 HA PHE 81 HA PHE 81 5.182 -2.640 -9.879 691 HB2 PHE 81 2HB PHE 81 6.579 -1.124 -7.681 692 HB3 PHE 81 1HB PHE 81 7.546 -2.207 -8.678 693 HD1 PHE 81 1HD PHE 81 7.476 -1.932 -11.210 694 HD2 PHE 81 2HD PHE 81 5.914 1.018 -8.508 695 HE1 PHE 81 1HE PHE 81 7.557 -0.235 -13.015 696 HE2 PHE 81 2HE PHE 81 5.995 2.715 -10.312 697 HZ PHE 81 HZ PHE 81 6.817 2.089 -12.567 698 H LEU 82 H LEU 82 4.338 -3.500 -6.774 699 HA LEU 82 HA LEU 82 5.934 -6.057 -6.844 700 HB2 LEU 82 2HB LEU 82 4.436 -4.911 -4.473 701 HB3 LEU 82 1HB LEU 82 5.674 -6.166 -4.472 702 HG LEU 82 HG LEU 82 6.155 -3.276 -5.273 703 HD11 LEU 82 1HD1 LEU 82 7.046 -4.692 -2.760 704 HD12 LEU 82 2HD1 LEU 82 5.616 -3.668 -2.838 705 HD13 LEU 82 3HD1 LEU 82 7.209 -2.980 -3.147 706 HD21 LEU 82 3HD2 LEU 82 7.947 -5.702 -4.967 707 HD22 LEU 82 1HD2 LEU 82 8.584 -4.056 -4.941 708 HD23 LEU 82 2HD2 LEU 82 7.764 -4.658 -6.378 709 H LYS 83 H LYS 83 2.776 -5.000 -5.539 710 HA LYS 83 HA LYS 83 0.636 -5.850 -5.873 711 HB2 LYS 83 2HB LYS 83 1.755 -6.278 -8.288 712 HB3 LYS 83 1HB LYS 83 1.584 -7.958 -7.803 713 HG2 LYS 83 2HG LYS 83 -0.804 -7.712 -7.519 714 HG3 LYS 83 1HG LYS 83 -0.714 -5.967 -7.743 715 HD2 LYS 83 2HD LYS 83 0.064 -8.005 -9.853 716 HD3 LYS 83 1HD LYS 83 -1.495 -7.190 -9.787 717 HE2 LYS 83 2HE LYS 83 0.057 -4.994 -9.724 718 HE3 LYS 83 1HE LYS 83 1.187 -6.076 -10.539 719 HZ1 LYS 83 3HZ LYS 83 -1.432 -6.342 -11.602 720 HZ2 LYS 83 1HZ LYS 83 0.015 -5.950 -12.395 721 HZ3 LYS 83 2HZ LYS 83 -0.916 -4.725 -11.674 722 H ASN 84 H ASN 84 3.350 -7.453 -4.849 723 HA ASN 84 HA ASN 84 1.823 -9.805 -3.814 724 HB2 ASN 84 2HB ASN 84 4.777 -9.278 -4.197 725 HB3 ASN 84 1HB ASN 84 4.166 -10.656 -3.282 726 HD21 ASN 84 1HD2 ASN 84 2.507 -9.369 -6.149 727 HD22 ASN 84 2HD2 ASN 84 2.803 -10.717 -7.137 728 H ARG 85 H ARG 85 3.806 -7.040 -2.921 729 HA ARG 85 HA ARG 85 3.471 -7.653 -0.012 730 HB2 ARG 85 2HB ARG 85 5.169 -5.684 -1.564 731 HB3 ARG 85 1HB ARG 85 4.980 -5.580 0.185 732 HG2 ARG 85 2HG ARG 85 6.980 -6.864 -0.274 733 HG3 ARG 85 1HG ARG 85 5.765 -7.963 0.356 734 HD2 ARG 85 2HD ARG 85 5.361 -8.915 -1.773 735 HD3 ARG 85 1HD ARG 85 6.120 -7.565 -2.618 736 HE ARG 85 HE ARG 85 7.941 -9.037 -0.858 737 HH11 ARG 85 1HH2 ARG 85 6.504 -8.729 -3.979 738 HH12 ARG 85 2HH2 ARG 85 7.769 -9.588 -4.791 739 HH21 ARG 85 1HH1 ARG 85 9.601 -10.157 -1.903 740 HH22 ARG 85 2HH1 ARG 85 9.523 -10.395 -3.617 741 H SER 86 H SER 86 3.104 -5.479 1.266 742 HA SER 86 HA SER 86 0.817 -4.002 0.016 743 HB2 SER 86 2HB SER 86 1.094 -5.258 2.741 744 HB3 SER 86 1HB SER 86 -0.010 -3.914 2.483 745 HG SER 86 HG SER 86 -1.046 -5.907 2.142 746 H ASP 87 H ASP 87 0.537 -1.898 0.855 747 HA ASP 87 HA ASP 87 2.880 -0.361 1.048 748 HB2 ASP 87 2HB ASP 87 1.282 1.411 2.040 749 HB3 ASP 87 1HB ASP 87 0.874 0.780 0.443 750 H ASN 88 H ASN 88 0.966 -1.943 3.500 751 HA ASN 88 HA ASN 88 2.212 -0.669 5.771 752 HB2 ASN 88 2HB ASN 88 1.316 -2.679 7.015 753 HB3 ASN 88 1HB ASN 88 0.099 -1.796 6.091 754 HD21 ASN 88 1HD2 ASN 88 -1.279 -3.261 5.086 755 HD22 ASN 88 2HD2 ASN 88 -0.795 -4.715 4.356 756 H ASN 89 H ASN 89 3.054 -3.332 3.656 757 HA ASN 89 HA ASN 89 5.164 -4.351 5.432 758 HB2 ASN 89 2HB ASN 89 3.837 -5.739 3.758 759 HB3 ASN 89 1HB ASN 89 4.737 -4.918 2.483 760 HD21 ASN 89 1HD2 ASN 89 5.770 -6.995 1.905 761 HD22 ASN 89 2HD2 ASN 89 7.015 -7.632 2.866 762 H ILE 90 H ILE 90 4.785 -2.117 2.797 763 HA ILE 90 HA ILE 90 7.664 -1.863 2.276 764 HB ILE 90 HB ILE 90 5.300 -0.224 1.304 765 HG12 ILE 90 2HG1 ILE 90 6.827 -2.468 -0.048 766 HG13 ILE 90 1HG1 ILE 90 5.272 -2.678 0.735 767 HG21 ILE 90 1HG2 ILE 90 6.875 0.452 -0.499 768 HG22 ILE 90 2HG2 ILE 90 8.163 -0.441 0.307 769 HG23 ILE 90 3HG2 ILE 90 7.448 0.969 1.086 770 HD11 ILE 90 3HD1 ILE 90 5.916 -1.457 -1.875 771 HD12 ILE 90 1HD1 ILE 90 4.707 -0.584 -0.937 772 HD13 ILE 90 2HD1 ILE 90 4.450 -2.273 -1.340 773 H ARG 91 H ARG 91 5.087 0.132 3.702 774 HA ARG 91 HA ARG 91 6.789 2.317 4.473 775 HB2 ARG 91 2HB ARG 91 4.376 2.597 4.424 776 HB3 ARG 91 1HB ARG 91 4.151 1.292 5.574 777 HG2 ARG 91 2HG ARG 91 3.943 3.580 6.593 778 HG3 ARG 91 1HG ARG 91 5.191 2.595 7.346 779 HD2 ARG 91 2HD ARG 91 6.937 3.815 6.307 780 HD3 ARG 91 1HD ARG 91 5.861 4.493 5.092 781 HE ARG 91 HE ARG 91 4.976 5.365 7.653 782 HH11 ARG 91 1HH2 ARG 91 7.594 5.666 5.429 783 HH12 ARG 91 2HH2 ARG 91 8.012 7.269 5.932 784 HH21 ARG 91 1HH1 ARG 91 5.507 7.457 8.323 785 HH22 ARG 91 2HH1 ARG 91 6.830 8.284 7.570 786 H ASN 92 H ASN 92 5.929 -0.751 5.894 787 HA ASN 92 HA ASN 92 7.165 -0.189 8.483 788 HB2 ASN 92 2HB ASN 92 5.334 -1.809 8.323 789 HB3 ASN 92 1HB ASN 92 6.293 -2.810 7.231 790 HD21 ASN 92 1HD2 ASN 92 5.493 -2.366 10.499 791 HD22 ASN 92 2HD2 ASN 92 6.771 -3.246 11.189 792 H ARG 93 H ARG 93 8.109 -1.996 5.543 793 HA ARG 93 HA ARG 93 10.652 -2.811 6.731 794 HB2 ARG 93 2HB ARG 93 9.552 -4.121 4.941 795 HB3 ARG 93 1HB ARG 93 9.795 -2.781 3.820 796 HG2 ARG 93 2HG ARG 93 12.128 -3.076 3.752 797 HG3 ARG 93 1HG ARG 93 12.174 -3.915 5.303 798 HD2 ARG 93 2HD ARG 93 11.067 -5.861 4.306 799 HD3 ARG 93 1HD ARG 93 10.978 -5.037 2.755 800 HE ARG 93 HE ARG 93 13.245 -5.579 2.412 801 HH11 ARG 93 1HH2 ARG 93 12.358 -5.775 5.738 802 HH12 ARG 93 2HH2 ARG 93 13.881 -6.427 6.243 803 HH21 ARG 93 1HH1 ARG 93 15.240 -6.429 3.053 804 HH22 ARG 93 2HH1 ARG 93 15.512 -6.796 4.723 805 H TRP 94 H TRP 94 9.563 -0.209 4.609 806 HA TRP 94 HA TRP 94 12.107 0.813 3.870 807 HB2 TRP 94 2HB TRP 94 9.934 1.527 2.860 808 HB3 TRP 94 1HB TRP 94 9.565 2.390 4.354 809 HD1 TRP 94 HD TRP 94 12.258 2.320 1.589 810 HE1 TRP 94 1HE TRP 94 13.249 4.690 1.369 811 HE3 TRP 94 3HE TRP 94 9.803 4.660 5.407 812 HZ2 TRP 94 2HZ TRP 94 13.031 7.241 2.646 813 HZ3 TRP 94 3HZ TRP 94 10.215 7.057 5.884 814 HH2 TRP 94 HH TRP 94 11.823 8.350 4.509 815 H MET 95 H MET 95 9.931 1.859 6.513 816 HA MET 95 HA MET 95 11.842 3.657 7.674 817 HB2 MET 95 2HB MET 95 9.392 3.747 8.115 818 HB3 MET 95 1HB MET 95 9.526 2.242 9.027 819 HG2 MET 95 2HG MET 95 10.989 3.273 10.648 820 HG3 MET 95 1HG MET 95 11.111 4.741 9.677 821 HE1 MET 95 3HE MET 95 10.132 6.538 11.587 822 HE2 MET 95 1HE MET 95 10.735 5.065 12.359 823 HE3 MET 95 2HE MET 95 9.199 5.763 12.864 824 H MET 96 H MET 96 11.539 0.211 7.792 825 HA MET 96 HA MET 96 12.994 -0.098 10.316 826 HB2 MET 96 2HB MET 96 11.352 -1.800 9.506 827 HB3 MET 96 1HB MET 96 12.427 -2.147 8.152 828 HG2 MET 96 2HG MET 96 14.181 -2.879 9.648 829 HG3 MET 96 1HG MET 96 13.258 -2.358 11.057 830 HE1 MET 96 3HE MET 96 13.068 -6.113 11.613 831 HE2 MET 96 1HE MET 96 13.148 -4.520 12.380 832 HE3 MET 96 2HE MET 96 14.391 -5.013 11.233 833 H ILE 97 H ILE 97 13.698 -0.593 6.845 834 HA ILE 97 HA ILE 97 16.513 -1.076 7.393 835 HB ILE 97 HB ILE 97 15.158 -2.116 5.517 836 HG12 ILE 97 2HG1 ILE 97 17.606 -0.577 4.610 837 HG13 ILE 97 1HG1 ILE 97 17.672 -2.049 5.581 838 HG21 ILE 97 1HG2 ILE 97 14.639 -0.853 3.569 839 HG22 ILE 97 2HG2 ILE 97 15.606 0.522 4.103 840 HG23 ILE 97 3HG2 ILE 97 14.093 0.140 4.919 841 HD11 ILE 97 3HD1 ILE 97 16.433 -1.771 2.832 842 HD12 ILE 97 1HD1 ILE 97 16.373 -3.232 3.819 843 HD13 ILE 97 2HD1 ILE 97 17.921 -2.629 3.227 844 H ALA 98 H ALA 98 14.475 1.626 6.467 845 HA ALA 98 HA ALA 98 16.662 3.327 5.606 846 HB1 ALA 98 1HB ALA 98 13.902 4.113 6.587 847 HB2 ALA 98 2HB ALA 98 14.302 3.721 4.915 848 HB3 ALA 98 3HB ALA 98 15.015 5.139 5.684 849 H ARG 99 H ARG 99 15.460 2.302 8.642 850 HA ARG 99 HA ARG 99 16.278 4.615 10.177 851 HB2 ARG 99 2HB ARG 99 14.605 3.063 11.073 852 HB3 ARG 99 1HB ARG 99 15.774 1.744 11.022 853 HG2 ARG 99 2HG ARG 99 17.142 2.777 12.705 854 HG3 ARG 99 1HG ARG 99 16.227 4.282 12.611 855 HD2 ARG 99 2HD ARG 99 14.275 3.247 13.567 856 HD3 ARG 99 1HD ARG 99 14.997 1.643 13.443 857 HE ARG 99 HE ARG 99 16.129 2.081 15.461 858 HH11 ARG 99 1HH2 ARG 99 15.093 4.983 13.913 859 HH12 ARG 99 2HH2 ARG 99 15.595 6.013 15.212 860 HH21 ARG 99 1HH1 ARG 99 16.791 3.409 17.166 861 HH22 ARG 99 2HH1 ARG 99 16.556 5.122 17.053 862 H HIS 100 H HIS 100 17.869 1.899 8.780 863 HA HIS 100 HA HIS 100 20.188 1.993 10.561 864 HB2 HIS 100 2HB HIS 100 19.457 -0.109 9.421 865 HB3 HIS 100 1HB HIS 100 19.871 0.627 7.873 866 HD1 HIS 100 1HD HIS 100 22.131 1.594 10.601 867 HD2 HIS 100 2HD HIS 100 21.954 -1.473 7.777 868 HE1 HIS 100 1HE HIS 100 24.435 0.539 10.540 869 HE2 HIS 100 2HE HIS 100 24.338 -1.327 8.826 870 H ARG 101 H ARG 101 19.280 3.158 7.352 871 HA ARG 101 HA ARG 101 21.943 4.263 6.828 872 HB2 ARG 101 2HB ARG 101 19.288 4.513 5.390 873 HB3 ARG 101 1HB ARG 101 20.776 5.278 4.829 874 HG2 ARG 101 2HG ARG 101 21.864 3.020 4.806 875 HG3 ARG 101 1HG ARG 101 20.301 2.307 5.205 876 HD2 ARG 101 2HD ARG 101 20.732 2.250 2.764 877 HD3 ARG 101 1HD ARG 101 19.327 3.241 3.154 878 HE ARG 101 HE ARG 101 21.645 4.912 3.084 879 HH11 ARG 101 1HH2 ARG 101 19.565 3.024 1.085 880 HH12 ARG 101 2HH2 ARG 101 19.809 4.003 -0.323 881 HH21 ARG 101 1HH1 ARG 101 21.977 6.200 1.257 882 HH22 ARG 101 2HH1 ARG 101 21.175 5.801 -0.226 883 H ALA 102 H ALA 102 19.083 5.236 8.451 884 HA ALA 102 HA ALA 102 19.477 8.114 8.112 885 HB1 ALA 102 1HB ALA 102 17.241 7.076 8.560 886 HB2 ALA 102 2HB ALA 102 17.663 8.337 9.718 887 HB3 ALA 102 3HB ALA 102 17.809 6.639 10.172 888 H LYS 103 H LYS 103 21.126 5.781 9.838 889 HA LYS 103 HA LYS 103 21.575 7.242 12.311 890 HB2 LYS 103 2HB LYS 103 22.942 4.897 10.971 891 HB3 LYS 103 1HB LYS 103 23.502 5.562 12.506 892 HG2 LYS 103 2HG LYS 103 21.235 5.189 13.463 893 HG3 LYS 103 1HG LYS 103 20.740 4.446 11.942 894 HD2 LYS 103 2HD LYS 103 22.352 2.669 12.199 895 HD3 LYS 103 1HD LYS 103 23.082 3.467 13.593 896 HE2 LYS 103 2HE LYS 103 21.589 1.658 14.331 897 HE3 LYS 103 1HE LYS 103 20.953 3.224 14.835 898 HZ1 LYS 103 3HZ LYS 103 19.110 2.795 13.718 899 HZ2 LYS 103 1HZ LYS 103 19.723 1.292 13.227 900 HZ3 LYS 103 2HZ LYS 103 19.990 2.671 12.270 901 H HIS 104 H HIS 104 24.205 6.212 10.177 902 HA HIS 104 HA HIS 104 24.992 8.938 9.501 903 HB2 HIS 104 2HB HIS 104 27.075 8.964 10.771 904 HB3 HIS 104 1HB HIS 104 25.721 8.765 11.879 905 HD1 HIS 104 1HD HIS 104 28.500 7.801 12.748 906 HD2 HIS 104 2HD HIS 104 25.735 5.337 10.827 907 HE1 HIS 104 1HE HIS 104 29.131 5.418 13.334 908 HE2 HIS 104 2HE HIS 104 27.456 3.912 12.169 909 H GLN 105 H GLN 105 24.927 5.687 8.954 910 HA GLN 105 HA GLN 105 27.403 5.025 7.789 911 HB2 GLN 105 2HB GLN 105 25.388 3.505 8.111 912 HB3 GLN 105 1HB GLN 105 24.710 4.228 6.653 913 HG2 GLN 105 2HG GLN 105 25.846 2.232 5.955 914 HG3 GLN 105 1HG GLN 105 26.867 3.584 5.466 915 HE21 GLN 105 1HE2 GLN 105 26.445 1.908 8.640 916 HE22 GLN 105 2HE2 GLN 105 28.097 1.574 8.845 917 H LYS 106 H LYS 106 24.717 6.915 6.474 918 HA LYS 106 HA LYS 106 26.521 7.893 4.306 919 HB2 LYS 106 2HB LYS 106 23.757 6.703 3.918 920 HB3 LYS 106 1HB LYS 106 24.568 7.693 2.702 921 HG2 LYS 106 2HG LYS 106 26.454 6.104 2.660 922 HG3 LYS 106 1HG LYS 106 25.648 5.113 3.876 923 HD2 LYS 106 2HD LYS 106 23.827 4.619 2.383 924 HD3 LYS 106 1HD LYS 106 24.402 5.799 1.204 925 HE2 LYS 106 2HE LYS 106 25.866 3.280 2.045 926 HE3 LYS 106 1HE LYS 106 25.025 3.520 0.513 927 HZ1 LYS 106 3HZ LYS 106 27.096 4.125 -0.121 928 HZ2 LYS 106 1HZ LYS 106 27.566 4.617 1.433 929 HZ3 LYS 106 2HZ LYS 106 26.593 5.632 0.481 930 H SER 107 H SER 107 23.704 8.286 6.359 931 HA SER 107 HA SER 107 22.872 10.840 5.315 932 HB2 SER 107 2HB SER 107 21.499 10.998 7.274 933 HB3 SER 107 1HB SER 107 21.520 9.295 6.823 934 HG SER 107 HG SER 107 21.923 9.753 9.091 Start of MODEL 19 1 H1 LYS 1 1HT LYS 1 -1.806 11.073 2.201 2 H2 LYS 1 2HT LYS 1 -1.403 10.111 3.542 3 H3 LYS 1 3HT LYS 1 -3.014 10.198 3.009 4 HA LYS 1 HA LYS 1 -0.839 9.159 1.299 5 HB2 LYS 1 2HB LYS 1 -1.078 7.877 3.478 6 HB3 LYS 1 1HB LYS 1 -2.740 7.536 3.016 7 HG2 LYS 1 2HG LYS 1 -1.644 5.624 2.209 8 HG3 LYS 1 1HG LYS 1 -1.651 6.641 0.773 9 HD2 LYS 1 2HD LYS 1 0.646 7.353 1.220 10 HD3 LYS 1 1HD LYS 1 0.656 6.460 2.741 11 HE2 LYS 1 2HE LYS 1 0.485 4.354 1.599 12 HE3 LYS 1 1HE LYS 1 0.168 5.150 0.056 13 HZ1 LYS 1 2HZ LYS 1 2.489 4.374 0.343 14 HZ2 LYS 1 3HZ LYS 1 2.673 5.490 1.610 15 HZ3 LYS 1 1HZ LYS 1 2.360 6.040 0.036 16 H VAL 2 H VAL 2 -3.587 7.227 1.467 17 HA VAL 2 HA VAL 2 -4.436 8.024 -1.182 18 HB VAL 2 HB VAL 2 -6.017 6.283 0.732 19 HG11 VAL 2 1HG1 VAL 2 -5.623 6.306 -2.278 20 HG12 VAL 2 2HG1 VAL 2 -7.095 6.731 -1.406 21 HG13 VAL 2 3HG1 VAL 2 -6.517 5.067 -1.401 22 HG21 VAL 2 3HG2 VAL 2 -3.531 5.586 -0.856 23 HG22 VAL 2 1HG2 VAL 2 -4.615 4.389 -0.151 24 HG23 VAL 2 2HG2 VAL 2 -3.732 5.497 0.893 25 H LYS 3 H LYS 3 -6.847 8.558 -1.567 26 HA LYS 3 HA LYS 3 -7.525 11.027 -0.414 27 HB2 LYS 3 2HB LYS 3 -9.190 8.885 -1.750 28 HB3 LYS 3 1HB LYS 3 -9.947 10.355 -1.139 29 HG2 LYS 3 2HG LYS 3 -9.347 10.559 -3.535 30 HG3 LYS 3 1HG LYS 3 -8.479 11.728 -2.541 31 HD2 LYS 3 2HD LYS 3 -6.456 10.467 -2.638 32 HD3 LYS 3 1HD LYS 3 -7.283 9.045 -3.276 33 HE2 LYS 3 2HE LYS 3 -5.989 10.376 -4.998 34 HE3 LYS 3 1HE LYS 3 -7.694 10.137 -5.382 35 HZ1 LYS 3 3HZ LYS 3 -7.151 12.413 -5.754 36 HZ2 LYS 3 1HZ LYS 3 -6.443 12.565 -4.219 37 HZ3 LYS 3 2HZ LYS 3 -8.122 12.338 -4.361 38 H PHE 4 H PHE 4 -8.728 7.787 0.510 39 HA PHE 4 HA PHE 4 -10.068 8.910 2.880 40 HB2 PHE 4 2HB PHE 4 -10.531 6.456 3.356 41 HB3 PHE 4 1HB PHE 4 -11.275 7.123 1.923 42 HD1 PHE 4 2HD PHE 4 -8.245 5.230 3.073 43 HD2 PHE 4 1HD PHE 4 -10.910 6.125 -0.180 44 HE1 PHE 4 2HE PHE 4 -7.142 3.489 1.677 45 HE2 PHE 4 1HE PHE 4 -9.811 4.386 -1.561 46 HZ PHE 4 HZ PHE 4 -7.940 3.072 -0.638 47 H THR 5 H THR 5 -9.600 8.032 5.047 48 HA THR 5 HA THR 5 -6.701 8.075 5.545 49 HB THR 5 HB THR 5 -8.055 9.399 7.028 50 HG1 THR 5 1HG THR 5 -7.619 8.130 9.040 51 HG21 THR 5 3HG2 THR 5 -10.179 8.230 6.770 52 HG22 THR 5 1HG2 THR 5 -9.761 8.321 8.480 53 HG23 THR 5 2HG2 THR 5 -9.525 6.815 7.595 54 H GLU 6 H GLU 6 -5.723 6.529 6.994 55 HA GLU 6 HA GLU 6 -5.822 3.877 6.130 56 HB2 GLU 6 2HB GLU 6 -5.022 5.003 8.825 57 HB3 GLU 6 1HB GLU 6 -4.768 3.316 8.377 58 HG2 GLU 6 2HG GLU 6 -2.734 4.571 7.909 59 HG3 GLU 6 1HG GLU 6 -3.472 4.088 6.382 60 H GLU 7 H GLU 7 -7.621 5.323 8.864 61 HA GLU 7 HA GLU 7 -8.802 3.049 9.950 62 HB2 GLU 7 2HB GLU 7 -9.088 5.510 10.640 63 HB3 GLU 7 1HB GLU 7 -10.369 5.588 9.431 64 HG2 GLU 7 2HG GLU 7 -11.418 3.582 10.567 65 HG3 GLU 7 1HG GLU 7 -10.238 3.792 11.861 66 H GLU 8 H GLU 8 -9.701 4.789 6.998 67 HA GLU 8 HA GLU 8 -12.088 3.289 6.448 68 HB2 GLU 8 2HB GLU 8 -11.303 5.489 5.385 69 HB3 GLU 8 1HB GLU 8 -10.224 4.497 4.403 70 HG2 GLU 8 2HG GLU 8 -12.223 4.838 3.116 71 HG3 GLU 8 1HG GLU 8 -12.260 3.172 3.689 72 H ASP 9 H ASP 9 -8.712 3.005 5.398 73 HA ASP 9 HA ASP 9 -8.824 0.844 3.653 74 HB2 ASP 9 2HB ASP 9 -6.747 2.082 4.421 75 HB3 ASP 9 1HB ASP 9 -6.755 1.048 5.849 76 H LEU 10 H LEU 10 -9.226 0.834 7.120 77 HA LEU 10 HA LEU 10 -9.140 -2.058 7.421 78 HB2 LEU 10 2HB LEU 10 -10.606 -0.269 9.366 79 HB3 LEU 10 1HB LEU 10 -9.591 -1.674 9.693 80 HG LEU 10 HG LEU 10 -8.642 1.045 8.766 81 HD11 LEU 10 1HD1 LEU 10 -8.172 -0.420 11.363 82 HD12 LEU 10 2HD1 LEU 10 -9.348 0.877 11.143 83 HD13 LEU 10 3HD1 LEU 10 -7.625 1.207 10.956 84 HD21 LEU 10 3HD2 LEU 10 -7.192 -0.596 7.779 85 HD22 LEU 10 1HD2 LEU 10 -7.173 -1.552 9.260 86 HD23 LEU 10 2HD2 LEU 10 -6.359 0.011 9.207 87 H LYS 11 H LYS 11 -11.622 0.405 6.904 88 HA LYS 11 HA LYS 11 -13.909 -1.274 7.276 89 HB2 LYS 11 2HB LYS 11 -13.597 1.009 5.296 90 HB3 LYS 11 1HB LYS 11 -15.118 0.364 5.906 91 HG2 LYS 11 2HG LYS 11 -13.001 1.518 7.742 92 HG3 LYS 11 1HG LYS 11 -14.258 2.515 7.016 93 HD2 LYS 11 2HD LYS 11 -15.955 0.883 8.019 94 HD3 LYS 11 1HD LYS 11 -14.614 0.204 8.941 95 HE2 LYS 11 2HE LYS 11 -15.608 3.063 9.026 96 HE3 LYS 11 1HE LYS 11 -15.706 1.867 10.318 97 HZ1 LYS 11 3HZ LYS 11 -13.091 1.845 9.774 98 HZ2 LYS 11 1HZ LYS 11 -13.798 2.811 10.975 99 HZ3 LYS 11 2HZ LYS 11 -13.460 3.471 9.446 100 H LEU 12 H LEU 12 -11.711 -0.787 4.575 101 HA LEU 12 HA LEU 12 -13.174 -2.210 2.595 102 HB2 LEU 12 2HB LEU 12 -10.158 -2.178 2.865 103 HB3 LEU 12 1HB LEU 12 -11.109 -2.314 1.390 104 HG LEU 12 HG LEU 12 -10.971 0.107 3.198 105 HD11 LEU 12 1HD1 LEU 12 -10.056 -0.168 0.328 106 HD12 LEU 12 2HD1 LEU 12 -8.974 -0.447 1.690 107 HD13 LEU 12 3HD1 LEU 12 -9.705 1.141 1.455 108 HD21 LEU 12 3HD2 LEU 12 -13.160 0.114 2.299 109 HD22 LEU 12 1HD2 LEU 12 -12.623 -0.534 0.748 110 HD23 LEU 12 2HD2 LEU 12 -12.246 1.132 1.190 111 H GLN 13 H GLN 13 -10.693 -3.297 4.933 112 HA GLN 13 HA GLN 13 -10.583 -6.000 4.139 113 HB2 GLN 13 2HB GLN 13 -9.197 -4.908 5.950 114 HB3 GLN 13 1HB GLN 13 -10.594 -5.046 7.018 115 HG2 GLN 13 2HG GLN 13 -10.600 -7.525 6.579 116 HG3 GLN 13 1HG GLN 13 -9.091 -7.320 5.690 117 HE21 GLN 13 1HE2 GLN 13 -10.079 -5.621 8.690 118 HE22 GLN 13 2HE2 GLN 13 -8.807 -6.227 9.636 119 H GLN 14 H GLN 14 -13.038 -4.329 6.066 120 HA GLN 14 HA GLN 14 -14.482 -6.813 6.681 121 HB2 GLN 14 2HB GLN 14 -15.436 -3.959 6.915 122 HB3 GLN 14 1HB GLN 14 -16.127 -5.379 7.701 123 HG2 GLN 14 2HG GLN 14 -13.889 -5.729 8.831 124 HG3 GLN 14 1HG GLN 14 -13.397 -4.159 8.195 125 HE21 GLN 14 1HE2 GLN 14 -15.294 -2.395 8.655 126 HE22 GLN 14 2HE2 GLN 14 -15.858 -2.396 10.256 127 H LEU 15 H LEU 15 -15.342 -3.914 4.724 128 HA LEU 15 HA LEU 15 -17.678 -5.117 3.610 129 HB2 LEU 15 2HB LEU 15 -15.927 -2.785 2.840 130 HB3 LEU 15 1HB LEU 15 -17.163 -3.329 1.707 131 HG LEU 15 HG LEU 15 -18.880 -3.082 3.489 132 HD11 LEU 15 1HD1 LEU 15 -17.536 -3.418 5.471 133 HD12 LEU 15 2HD1 LEU 15 -18.199 -1.786 5.541 134 HD13 LEU 15 3HD1 LEU 15 -16.519 -2.034 5.072 135 HD21 LEU 15 3HD2 LEU 15 -18.602 -1.214 2.004 136 HD22 LEU 15 1HD2 LEU 15 -17.152 -0.676 2.851 137 HD23 LEU 15 2HD2 LEU 15 -18.729 -0.549 3.632 138 H VAL 16 H VAL 16 -14.389 -4.792 2.255 139 HA VAL 16 HA VAL 16 -14.876 -6.229 -0.134 140 HB VAL 16 HB VAL 16 -12.309 -6.230 1.481 141 HG11 VAL 16 1HG1 VAL 16 -11.319 -6.463 -0.832 142 HG12 VAL 16 2HG1 VAL 16 -12.953 -6.753 -1.424 143 HG13 VAL 16 3HG1 VAL 16 -12.223 -7.869 -0.271 144 HG21 VAL 16 3HG2 VAL 16 -13.194 -4.336 -0.712 145 HG22 VAL 16 1HG2 VAL 16 -11.705 -4.240 0.219 146 HG23 VAL 16 2HG2 VAL 16 -13.258 -3.932 0.992 147 H MET 17 H MET 17 -14.296 -7.361 3.186 148 HA MET 17 HA MET 17 -13.890 -10.119 2.413 149 HB2 MET 17 2HB MET 17 -13.160 -9.462 4.598 150 HB3 MET 17 1HB MET 17 -14.737 -8.791 5.002 151 HG2 MET 17 2HG MET 17 -15.730 -10.950 5.131 152 HG3 MET 17 1HG MET 17 -14.345 -11.714 4.352 153 HE1 MET 17 3HE MET 17 -14.946 -13.312 6.287 154 HE2 MET 17 1HE MET 17 -13.837 -13.360 7.665 155 HE3 MET 17 2HE MET 17 -13.207 -13.402 6.020 156 H ARG 18 H ARG 18 -16.697 -8.070 2.995 157 HA ARG 18 HA ARG 18 -18.586 -10.321 2.962 158 HB2 ARG 18 2HB ARG 18 -19.050 -8.228 4.228 159 HB3 ARG 18 1HB ARG 18 -19.099 -7.341 2.705 160 HG2 ARG 18 2HG ARG 18 -20.996 -8.633 1.939 161 HG3 ARG 18 1HG ARG 18 -20.881 -9.712 3.330 162 HD2 ARG 18 2HD ARG 18 -21.301 -7.740 4.822 163 HD3 ARG 18 1HD ARG 18 -21.573 -6.760 3.380 164 HE ARG 18 HE ARG 18 -23.455 -8.639 4.524 165 HH11 ARG 18 1HH2 ARG 18 -22.228 -7.263 1.610 166 HH12 ARG 18 2HH2 ARG 18 -23.697 -7.497 0.724 167 HH21 ARG 18 1HH1 ARG 18 -25.381 -8.952 3.383 168 HH22 ARG 18 2HH1 ARG 18 -25.482 -8.454 1.728 169 H TYR 19 H TYR 19 -17.390 -7.883 0.674 170 HA TYR 19 HA TYR 19 -19.185 -8.931 -1.461 171 HB2 TYR 19 2HB TYR 19 -17.161 -6.669 -1.538 172 HB3 TYR 19 1HB TYR 19 -18.349 -7.050 -2.784 173 HD1 TYR 19 2HD TYR 19 -20.850 -7.234 -1.933 174 HD2 TYR 19 1HD TYR 19 -17.750 -5.050 0.087 175 HE1 TYR 19 2HE TYR 19 -22.563 -5.899 -0.741 176 HE2 TYR 19 1HE TYR 19 -19.463 -3.719 1.278 177 HH TYR 19 HH TYR 19 -21.829 -3.930 1.932 178 H GLY 20 H GLY 20 -16.176 -9.603 -0.176 179 HA2 GLY 20 2HA GLY 20 -14.590 -11.184 -0.929 180 HA3 GLY 20 1HA GLY 20 -15.443 -11.264 -2.473 181 H ALA 21 H ALA 21 -15.308 -9.151 -3.749 182 HA ALA 21 HA ALA 21 -13.593 -7.067 -3.674 183 HB1 ALA 21 1HB ALA 21 -11.994 -9.590 -4.068 184 HB2 ALA 21 2HB ALA 21 -11.580 -8.152 -3.135 185 HB3 ALA 21 3HB ALA 21 -11.466 -8.120 -4.888 186 H LYS 22 H LYS 22 -15.829 -7.623 -5.090 187 HA LYS 22 HA LYS 22 -14.899 -7.313 -7.900 188 HB2 LYS 22 2HB LYS 22 -16.489 -8.980 -8.732 189 HB3 LYS 22 1HB LYS 22 -15.343 -9.725 -7.618 190 HG2 LYS 22 2HG LYS 22 -17.056 -9.373 -5.780 191 HG3 LYS 22 1HG LYS 22 -18.203 -8.911 -7.038 192 HD2 LYS 22 2HD LYS 22 -17.794 -11.110 -8.155 193 HD3 LYS 22 1HD LYS 22 -16.770 -11.572 -6.795 194 HE2 LYS 22 2HE LYS 22 -18.657 -11.310 -5.253 195 HE3 LYS 22 1HE LYS 22 -19.689 -10.779 -6.581 196 HZ1 LYS 22 3HZ LYS 22 -18.332 -13.416 -6.467 197 HZ2 LYS 22 1HZ LYS 22 -19.459 -12.903 -7.625 198 HZ3 LYS 22 2HZ LYS 22 -19.949 -13.152 -6.018 199 H ASP 23 H ASP 23 -17.161 -6.572 -5.410 200 HA ASP 23 HA ASP 23 -18.966 -5.161 -7.345 201 HB2 ASP 23 2HB ASP 23 -19.460 -5.727 -4.407 202 HB3 ASP 23 1HB ASP 23 -20.631 -5.184 -5.609 203 H TRP 24 H TRP 24 -16.518 -3.992 -6.955 204 HA TRP 24 HA TRP 24 -16.341 -2.197 -4.747 205 HB2 TRP 24 2HB TRP 24 -15.244 -1.818 -7.551 206 HB3 TRP 24 1HB TRP 24 -14.698 -0.984 -6.095 207 HD1 TRP 24 HD TRP 24 -14.374 -4.263 -7.944 208 HE1 TRP 24 1HE TRP 24 -12.709 -5.771 -6.672 209 HE3 TRP 24 3HE TRP 24 -13.840 -1.541 -3.695 210 HZ2 TRP 24 2HZ TRP 24 -11.327 -5.798 -4.149 211 HZ3 TRP 24 3HZ TRP 24 -12.349 -2.296 -1.876 212 HH2 TRP 24 HH TRP 24 -11.102 -4.426 -2.085 213 H ILE 25 H ILE 25 -18.164 -2.043 -7.725 214 HA ILE 25 HA ILE 25 -18.697 0.764 -7.734 215 HB ILE 25 HB ILE 25 -20.832 -0.007 -8.966 216 HG12 ILE 25 2HG1 ILE 25 -19.418 -2.686 -8.862 217 HG13 ILE 25 1HG1 ILE 25 -20.790 -2.280 -7.830 218 HG21 ILE 25 1HG2 ILE 25 -18.793 0.679 -10.155 219 HG22 ILE 25 2HG2 ILE 25 -19.540 -0.696 -10.969 220 HG23 ILE 25 3HG2 ILE 25 -18.119 -0.939 -9.953 221 HD11 ILE 25 3HD1 ILE 25 -20.789 -2.250 -10.863 222 HD12 ILE 25 1HD1 ILE 25 -22.157 -1.818 -9.839 223 HD13 ILE 25 2HD1 ILE 25 -21.549 -3.474 -9.845 224 H ARG 26 H ARG 26 -19.915 -1.942 -5.934 225 HA ARG 26 HA ARG 26 -22.198 -0.501 -4.839 226 HB2 ARG 26 2HB ARG 26 -22.135 -3.010 -5.131 227 HB3 ARG 26 1HB ARG 26 -20.931 -3.068 -3.841 228 HG2 ARG 26 2HG ARG 26 -22.493 -2.094 -2.261 229 HG3 ARG 26 1HG ARG 26 -23.682 -1.830 -3.539 230 HD2 ARG 26 2HD ARG 26 -23.899 -4.238 -3.887 231 HD3 ARG 26 1HD ARG 26 -22.635 -4.549 -2.697 232 HE ARG 26 HE ARG 26 -24.556 -3.059 -1.326 233 HH11 ARG 26 1HH2 ARG 26 -24.412 -5.980 -3.154 234 HH12 ARG 26 2HH2 ARG 26 -25.679 -6.755 -2.264 235 HH21 ARG 26 1HH1 ARG 26 -26.211 -4.055 -0.154 236 HH22 ARG 26 2HH1 ARG 26 -26.697 -5.666 -0.565 237 H ILE 27 H ILE 27 -19.126 -1.775 -3.530 238 HA ILE 27 HA ILE 27 -19.292 -0.600 -0.988 239 HB ILE 27 HB ILE 27 -16.834 -0.959 -2.720 240 HG12 ILE 27 2HG1 ILE 27 -17.979 -2.778 -0.584 241 HG13 ILE 27 1HG1 ILE 27 -18.275 -2.998 -2.308 242 HG21 ILE 27 1HG2 ILE 27 -15.712 -1.127 -0.436 243 HG22 ILE 27 2HG2 ILE 27 -17.203 -0.480 0.246 244 HG23 ILE 27 3HG2 ILE 27 -16.265 0.481 -0.896 245 HD11 ILE 27 3HD1 ILE 27 -15.739 -3.034 -2.609 246 HD12 ILE 27 1HD1 ILE 27 -16.424 -4.421 -1.768 247 HD13 ILE 27 2HD1 ILE 27 -15.623 -3.145 -0.854 248 H SER 28 H SER 28 -18.396 0.798 -4.069 249 HA SER 28 HA SER 28 -17.447 3.313 -2.956 250 HB2 SER 28 2HB SER 28 -18.186 2.452 -5.759 251 HB3 SER 28 1HB SER 28 -17.568 4.055 -5.368 252 HG SER 28 HG SER 28 -15.674 3.150 -4.696 253 H GLN 29 H GLN 29 -20.537 2.042 -4.035 254 HA GLN 29 HA GLN 29 -21.799 4.617 -4.341 255 HB2 GLN 29 2HB GLN 29 -23.753 3.439 -4.789 256 HB3 GLN 29 1HB GLN 29 -22.560 2.189 -5.099 257 HG2 GLN 29 2HG GLN 29 -23.975 0.984 -3.714 258 HG3 GLN 29 1HG GLN 29 -22.944 1.683 -2.482 259 HE21 GLN 29 1HE2 GLN 29 -25.662 0.935 -1.934 260 HE22 GLN 29 2HE2 GLN 29 -26.546 2.347 -1.608 261 H LEU 30 H LEU 30 -21.081 2.587 -1.597 262 HA LEU 30 HA LEU 30 -22.846 3.990 0.255 263 HB2 LEU 30 2HB LEU 30 -20.339 2.442 0.984 264 HB3 LEU 30 1HB LEU 30 -21.760 2.729 1.984 265 HG LEU 30 HG LEU 30 -21.732 1.078 -0.559 266 HD11 LEU 30 1HD1 LEU 30 -20.507 -0.093 1.148 267 HD12 LEU 30 2HD1 LEU 30 -22.115 -0.814 1.076 268 HD13 LEU 30 3HD1 LEU 30 -21.710 0.315 2.371 269 HD21 LEU 30 3HD2 LEU 30 -23.867 1.740 1.490 270 HD22 LEU 30 1HD2 LEU 30 -23.999 0.347 0.415 271 HD23 LEU 30 2HD2 LEU 30 -23.931 1.973 -0.256 272 H MET 31 H MET 31 -19.342 4.018 -0.405 273 HA MET 31 HA MET 31 -19.160 6.735 0.883 274 HB2 MET 31 2HB MET 31 -17.090 4.547 0.527 275 HB3 MET 31 1HB MET 31 -16.714 6.173 1.098 276 HG2 MET 31 2HG MET 31 -18.117 5.900 3.037 277 HG3 MET 31 1HG MET 31 -18.770 4.383 2.419 278 HE1 MET 31 3HE MET 31 -18.314 2.747 4.123 279 HE2 MET 31 1HE MET 31 -17.950 4.105 5.197 280 HE3 MET 31 2HE MET 31 -16.893 2.696 5.162 281 H ILE 32 H ILE 32 -20.046 7.267 -1.427 282 HA ILE 32 HA ILE 32 -18.566 6.983 -3.790 283 HB ILE 32 HB ILE 32 -19.574 9.229 -4.427 284 HG12 ILE 32 2HG1 ILE 32 -20.750 9.010 -1.637 285 HG13 ILE 32 1HG1 ILE 32 -19.489 10.152 -2.100 286 HG21 ILE 32 1HG2 ILE 32 -21.863 8.380 -4.411 287 HG22 ILE 32 2HG2 ILE 32 -21.463 7.246 -3.119 288 HG23 ILE 32 3HG2 ILE 32 -20.753 7.044 -4.722 289 HD11 ILE 32 3HD1 ILE 32 -22.296 10.002 -3.230 290 HD12 ILE 32 1HD1 ILE 32 -21.028 11.059 -3.854 291 HD13 ILE 32 2HD1 ILE 32 -21.635 11.284 -2.213 292 H THR 33 H THR 33 -17.656 8.618 -0.944 293 HA THR 33 HA THR 33 -16.068 10.746 -1.902 294 HB THR 33 HB THR 33 -15.405 8.928 0.436 295 HG1 THR 33 1HG THR 33 -16.607 10.833 1.456 296 HG21 THR 33 3HG2 THR 33 -13.584 10.413 0.093 297 HG22 THR 33 1HG2 THR 33 -14.557 11.180 1.345 298 HG23 THR 33 2HG2 THR 33 -14.648 11.758 -0.316 299 H ARG 34 H ARG 34 -15.751 7.505 -2.687 300 HA ARG 34 HA ARG 34 -13.011 7.972 -3.738 301 HB2 ARG 34 2HB ARG 34 -12.106 5.950 -2.772 302 HB3 ARG 34 1HB ARG 34 -12.786 6.913 -1.462 303 HG2 ARG 34 2HG ARG 34 -14.980 5.463 -2.005 304 HG3 ARG 34 1HG ARG 34 -13.791 4.334 -2.648 305 HD2 ARG 34 2HD ARG 34 -12.580 4.461 -0.446 306 HD3 ARG 34 1HD ARG 34 -13.898 5.454 0.170 307 HE ARG 34 HE ARG 34 -14.811 2.922 -0.964 308 HH11 ARG 34 1HH2 ARG 34 -13.556 4.585 1.783 309 HH12 ARG 34 2HH2 ARG 34 -14.215 3.465 2.928 310 HH21 ARG 34 1HH1 ARG 34 -15.677 1.450 0.520 311 HH22 ARG 34 2HH1 ARG 34 -15.413 1.691 2.214 312 H ASN 35 H ASN 35 -12.572 6.682 -5.578 313 HA ASN 35 HA ASN 35 -14.968 5.583 -6.876 314 HB2 ASN 35 2HB ASN 35 -12.155 6.231 -7.739 315 HB3 ASN 35 1HB ASN 35 -13.149 5.205 -8.767 316 HD21 ASN 35 1HD2 ASN 35 -15.082 6.178 -9.745 317 HD22 ASN 35 2HD2 ASN 35 -15.278 7.863 -9.806 318 HA PRO 36 HA PRO 36 -14.356 1.332 -5.960 319 HB2 PRO 36 2HB PRO 36 -14.486 0.182 -8.552 320 HB3 PRO 36 1HB PRO 36 -15.864 0.510 -7.493 321 HG2 PRO 36 2HG PRO 36 -14.813 2.124 -9.760 322 HG3 PRO 36 1HG PRO 36 -16.490 1.862 -9.243 323 HD2 PRO 36 2HD PRO 36 -15.230 4.181 -8.713 324 HD3 PRO 36 1HD PRO 36 -16.353 3.470 -7.533 325 H ARG 37 H ARG 37 -12.448 2.753 -8.536 326 HA ARG 37 HA ARG 37 -10.408 0.725 -8.595 327 HB2 ARG 37 2HB ARG 37 -10.909 2.442 -10.406 328 HB3 ARG 37 1HB ARG 37 -10.125 3.640 -9.373 329 HG2 ARG 37 2HG ARG 37 -8.104 2.144 -9.315 330 HG3 ARG 37 1HG ARG 37 -8.889 1.133 -10.526 331 HD2 ARG 37 2HD ARG 37 -8.208 4.072 -10.836 332 HD3 ARG 37 1HD ARG 37 -7.372 2.729 -11.617 333 HE ARG 37 HE ARG 37 -10.041 2.434 -12.367 334 HH11 ARG 37 1HH2 ARG 37 -7.606 4.873 -12.513 335 HH12 ARG 37 2HH2 ARG 37 -8.212 5.577 -13.974 336 HH21 ARG 37 1HH1 ARG 37 -10.846 3.341 -14.273 337 HH22 ARG 37 2HH1 ARG 37 -10.046 4.710 -14.971 338 H GLN 38 H GLN 38 -11.049 3.532 -6.594 339 HA GLN 38 HA GLN 38 -8.354 3.809 -5.589 340 HB2 GLN 38 2HB GLN 38 -11.019 4.727 -4.493 341 HB3 GLN 38 1HB GLN 38 -9.469 5.144 -3.770 342 HG2 GLN 38 2HG GLN 38 -10.117 5.690 -6.676 343 HG3 GLN 38 1HG GLN 38 -10.407 6.867 -5.394 344 HE21 GLN 38 1HE2 GLN 38 -8.557 7.903 -4.420 345 HE22 GLN 38 2HE2 GLN 38 -6.986 7.720 -5.037 346 H CYS 39 H CYS 39 -11.253 2.071 -4.318 347 HA CYS 39 HA CYS 39 -9.711 1.186 -1.974 348 HB2 CYS 39 2HB CYS 39 -12.315 0.080 -3.038 349 HB3 CYS 39 1HB CYS 39 -11.670 -0.099 -1.409 350 HG CYS 39 HG CYS 39 -13.230 2.287 -2.410 351 H ARG 40 H ARG 40 -10.450 0.007 -5.179 352 HA ARG 40 HA ARG 40 -9.788 -2.737 -4.802 353 HB2 ARG 40 2HB ARG 40 -10.858 -1.948 -6.847 354 HB3 ARG 40 1HB ARG 40 -9.464 -0.939 -7.218 355 HG2 ARG 40 2HG ARG 40 -9.501 -3.062 -8.533 356 HG3 ARG 40 1HG ARG 40 -8.059 -2.907 -7.539 357 HD2 ARG 40 2HD ARG 40 -8.816 -4.520 -5.988 358 HD3 ARG 40 1HD ARG 40 -10.494 -4.366 -6.505 359 HE ARG 40 HE ARG 40 -8.507 -6.094 -7.707 360 HH11 ARG 40 1HH2 ARG 40 -11.262 -4.100 -8.272 361 HH12 ARG 40 2HH2 ARG 40 -11.774 -4.976 -9.676 362 HH21 ARG 40 1HH1 ARG 40 -9.158 -7.248 -9.537 363 HH22 ARG 40 2HH1 ARG 40 -10.582 -6.757 -10.393 364 H GLU 41 H GLU 41 -7.780 0.048 -5.763 365 HA GLU 41 HA GLU 41 -5.328 -1.279 -6.110 366 HB2 GLU 41 2HB GLU 41 -5.966 1.481 -5.039 367 HB3 GLU 41 1HB GLU 41 -4.310 0.938 -5.310 368 HG2 GLU 41 2HG GLU 41 -4.698 0.631 -7.656 369 HG3 GLU 41 1HG GLU 41 -6.438 0.836 -7.462 370 H ARG 42 H ARG 42 -7.019 -0.413 -3.125 371 HA ARG 42 HA ARG 42 -4.692 -1.044 -1.438 372 HB2 ARG 42 2HB ARG 42 -7.593 -0.402 -0.939 373 HB3 ARG 42 1HB ARG 42 -6.641 -1.110 0.365 374 HG2 ARG 42 2HG ARG 42 -6.644 1.393 0.402 375 HG3 ARG 42 1HG ARG 42 -5.030 0.704 0.256 376 HD2 ARG 42 2HD ARG 42 -6.549 1.427 -2.243 377 HD3 ARG 42 1HD ARG 42 -5.729 2.687 -1.332 378 HE ARG 42 HE ARG 42 -4.438 0.696 -2.977 379 HH11 ARG 42 1HH2 ARG 42 -4.215 2.579 -0.096 380 HH12 ARG 42 2HH2 ARG 42 -2.483 2.591 -0.081 381 HH21 ARG 42 1HH1 ARG 42 -2.178 0.703 -2.973 382 HH22 ARG 42 2HH1 ARG 42 -1.330 1.530 -1.709 383 H TRP 43 H TRP 43 -7.536 -2.813 -2.591 384 HA TRP 43 HA TRP 43 -7.542 -5.085 -1.000 385 HB2 TRP 43 2HB TRP 43 -8.987 -4.618 -3.014 386 HB3 TRP 43 1HB TRP 43 -7.636 -5.097 -4.024 387 HD1 TRP 43 HD TRP 43 -8.984 -6.847 -0.829 388 HE1 TRP 43 1HE TRP 43 -9.549 -9.278 -1.443 389 HE3 TRP 43 3HE TRP 43 -7.996 -6.744 -5.838 390 HZ2 TRP 43 2HZ TRP 43 -9.584 -10.963 -3.751 391 HZ3 TRP 43 3HZ TRP 43 -8.308 -8.777 -7.220 392 HH2 TRP 43 HH TRP 43 -9.099 -10.885 -6.184 393 H ASN 44 H ASN 44 -5.561 -4.786 -3.946 394 HA ASN 44 HA ASN 44 -3.989 -7.133 -3.254 395 HB2 ASN 44 2HB ASN 44 -2.598 -6.431 -5.220 396 HB3 ASN 44 1HB ASN 44 -4.316 -6.592 -5.589 397 HD21 ASN 44 1HD2 ASN 44 -5.519 -4.651 -6.077 398 HD22 ASN 44 2HD2 ASN 44 -4.763 -3.148 -6.295 399 H ASN 45 H ASN 45 -3.488 -3.628 -2.981 400 HA ASN 45 HA ASN 45 -0.721 -4.041 -2.007 401 HB2 ASN 45 2HB ASN 45 -2.377 -1.508 -2.261 402 HB3 ASN 45 1HB ASN 45 -0.651 -1.584 -1.908 403 HD21 ASN 45 1HD2 ASN 45 -2.246 -0.536 -4.356 404 HD22 ASN 45 2HD2 ASN 45 -1.484 -1.281 -5.676 405 H TYR 46 H TYR 46 -3.397 -4.769 -0.463 406 HA TYR 46 HA TYR 46 -2.289 -3.881 2.131 407 HB2 TYR 46 2HB TYR 46 -4.241 -2.304 1.044 408 HB3 TYR 46 1HB TYR 46 -5.242 -3.445 1.933 409 HD1 TYR 46 2HD TYR 46 -3.986 -4.066 4.357 410 HD2 TYR 46 1HD TYR 46 -3.801 -0.328 2.242 411 HE1 TYR 46 2HE TYR 46 -3.442 -2.894 6.470 412 HE2 TYR 46 1HE TYR 46 -3.253 0.839 4.356 413 HH TYR 46 HH TYR 46 -3.181 -0.904 7.454 414 H ILE 47 H ILE 47 -5.226 -5.513 0.793 415 HA ILE 47 HA ILE 47 -4.424 -7.931 2.306 416 HB ILE 47 HB ILE 47 -6.291 -8.129 3.681 417 HG12 ILE 47 2HG1 ILE 47 -8.082 -7.805 1.993 418 HG13 ILE 47 1HG1 ILE 47 -8.405 -6.909 3.461 419 HG21 ILE 47 1HG2 ILE 47 -5.901 -5.134 3.458 420 HG22 ILE 47 2HG2 ILE 47 -4.934 -6.242 4.429 421 HG23 ILE 47 3HG2 ILE 47 -6.630 -5.980 4.820 422 HD11 ILE 47 3HD1 ILE 47 -7.880 -4.836 2.486 423 HD12 ILE 47 1HD1 ILE 47 -8.772 -5.679 1.223 424 HD13 ILE 47 2HD1 ILE 47 -7.023 -5.579 1.149 425 H ASN 48 H ASN 48 -4.590 -9.593 1.063 426 HA ASN 48 HA ASN 48 -6.822 -10.451 -0.406 427 HB2 ASN 48 2HB ASN 48 -6.707 -9.349 -2.403 428 HB3 ASN 48 1HB ASN 48 -5.329 -8.456 -1.822 429 HD21 ASN 48 1HD2 ASN 48 -3.361 -8.816 -2.869 430 HD22 ASN 48 2HD2 ASN 48 -3.065 -10.106 -3.933 431 HA PRO 49 HA PRO 49 -3.182 -13.363 -1.043 432 HB2 PRO 49 2HB PRO 49 -0.600 -12.429 -1.020 433 HB3 PRO 49 1HB PRO 49 -1.671 -12.263 -2.425 434 HG2 PRO 49 2HG PRO 49 -0.671 -10.172 -0.657 435 HG3 PRO 49 1HG PRO 49 -1.538 -10.003 -2.183 436 HD2 PRO 49 2HD PRO 49 -2.618 -9.887 0.582 437 HD3 PRO 49 1HD PRO 49 -3.343 -9.302 -0.924 438 H ALA 50 H ALA 50 -3.107 -11.285 1.663 439 HA ALA 50 HA ALA 50 -2.695 -11.735 3.928 440 HB1 ALA 50 1HB ALA 50 -3.477 -14.140 3.091 441 HB2 ALA 50 2HB ALA 50 -2.729 -13.951 4.677 442 HB3 ALA 50 3HB ALA 50 -1.776 -14.547 3.320 443 H LEU 51 H LEU 51 -0.889 -10.303 2.851 444 HA LEU 51 HA LEU 51 1.795 -11.579 3.042 445 HB2 LEU 51 2HB LEU 51 2.449 -9.155 2.214 446 HB3 LEU 51 1HB LEU 51 1.731 -10.297 1.084 447 HG LEU 51 HG LEU 51 -0.494 -9.280 1.460 448 HD11 LEU 51 1HD1 LEU 51 -0.479 -7.024 2.682 449 HD12 LEU 51 2HD1 LEU 51 1.062 -7.536 3.372 450 HD13 LEU 51 3HD1 LEU 51 -0.403 -8.467 3.689 451 HD21 LEU 51 3HD2 LEU 51 -0.037 -7.160 0.318 452 HD22 LEU 51 1HD2 LEU 51 1.000 -8.434 -0.326 453 HD23 LEU 51 2HD2 LEU 51 1.652 -7.258 0.811 454 H ARG 52 H ARG 52 0.116 -11.010 5.439 455 HA ARG 52 HA ARG 52 1.055 -8.681 6.792 456 HB2 ARG 52 2HB ARG 52 0.330 -9.780 8.845 457 HB3 ARG 52 1HB ARG 52 -0.847 -10.111 7.573 458 HG2 ARG 52 2HG ARG 52 0.433 -12.281 7.139 459 HG3 ARG 52 1HG ARG 52 1.296 -11.961 8.644 460 HD2 ARG 52 2HD ARG 52 -1.658 -12.463 8.263 461 HD3 ARG 52 1HD ARG 52 -0.521 -13.360 9.269 462 HE ARG 52 HE ARG 52 -1.912 -10.934 10.037 463 HH11 ARG 52 1HH2 ARG 52 0.988 -12.775 10.330 464 HH12 ARG 52 2HH2 ARG 52 1.392 -12.138 11.890 465 HH21 ARG 52 1HH1 ARG 52 -1.402 -10.092 12.071 466 HH22 ARG 52 2HH1 ARG 52 0.039 -10.620 12.875 467 H THR 53 H THR 53 2.791 -11.267 5.636 468 HA THR 53 HA THR 53 5.149 -10.532 7.266 469 HB THR 53 HB THR 53 4.364 -12.327 8.625 470 HG1 THR 53 1HG THR 53 6.164 -13.388 8.517 471 HG21 THR 53 3HG2 THR 53 2.632 -13.186 7.124 472 HG22 THR 53 1HG2 THR 53 3.672 -14.508 7.652 473 HG23 THR 53 2HG2 THR 53 3.861 -13.827 6.037 474 H ASP 54 H ASP 54 5.220 -9.728 4.838 475 HA ASP 54 HA ASP 54 6.835 -11.730 3.306 476 HB2 ASP 54 2HB ASP 54 4.433 -11.569 2.454 477 HB3 ASP 54 1HB ASP 54 4.799 -9.904 2.006 478 HA PRO 55 HA PRO 55 8.837 -7.571 3.465 479 HB2 PRO 55 2HB PRO 55 11.117 -8.189 4.725 480 HB3 PRO 55 1HB PRO 55 9.591 -8.096 5.632 481 HG2 PRO 55 2HG PRO 55 11.018 -10.517 4.597 482 HG3 PRO 55 1HG PRO 55 10.276 -10.250 6.186 483 HD2 PRO 55 2HD PRO 55 9.021 -11.592 4.092 484 HD3 PRO 55 1HD PRO 55 8.146 -10.796 5.421 485 H TRP 56 H TRP 56 10.102 -6.825 1.814 486 HA TRP 56 HA TRP 56 11.264 -8.750 -0.080 487 HB2 TRP 56 2HB TRP 56 12.009 -6.359 -1.100 488 HB3 TRP 56 1HB TRP 56 10.420 -7.048 -1.368 489 HD1 TRP 56 HD TRP 56 8.468 -6.195 0.427 490 HE1 TRP 56 1HE TRP 56 8.107 -3.798 1.334 491 HE3 TRP 56 3HE TRP 56 13.123 -4.271 -0.347 492 HZ2 TRP 56 2HZ TRP 56 9.631 -1.403 1.717 493 HZ3 TRP 56 3HZ TRP 56 13.648 -1.945 0.298 494 HH2 TRP 56 HH TRP 56 11.914 -0.504 1.332 495 H SER 57 H SER 57 13.548 -7.516 -0.991 496 HA SER 57 HA SER 57 15.367 -7.415 1.392 497 HB2 SER 57 2HB SER 57 16.513 -8.728 -1.000 498 HB3 SER 57 1HB SER 57 16.514 -9.272 0.679 499 HG SER 57 HG SER 57 15.076 -10.627 -0.016 500 HA PRO 58 HA PRO 58 17.726 -4.077 -0.261 501 HB2 PRO 58 2HB PRO 58 19.874 -5.950 -1.234 502 HB3 PRO 58 1HB PRO 58 20.039 -4.440 -0.309 503 HG2 PRO 58 2HG PRO 58 20.249 -6.740 0.943 504 HG3 PRO 58 1HG PRO 58 19.290 -5.434 1.672 505 HD2 PRO 58 2HD PRO 58 18.331 -7.897 0.240 506 HD3 PRO 58 1HD PRO 58 17.653 -7.105 1.682 507 H GLU 59 H GLU 59 16.981 -6.659 -2.385 508 HA GLU 59 HA GLU 59 17.895 -5.567 -4.857 509 HB2 GLU 59 2HB GLU 59 15.624 -7.494 -4.274 510 HB3 GLU 59 1HB GLU 59 16.276 -7.161 -5.878 511 HG2 GLU 59 2HG GLU 59 18.517 -7.914 -5.092 512 HG3 GLU 59 1HG GLU 59 17.803 -8.328 -3.533 513 H GLU 60 H GLU 60 14.677 -5.455 -3.206 514 HA GLU 60 HA GLU 60 13.670 -3.642 -5.260 515 HB2 GLU 60 2HB GLU 60 11.943 -4.934 -4.409 516 HB3 GLU 60 1HB GLU 60 12.700 -5.074 -2.839 517 HG2 GLU 60 2HG GLU 60 10.664 -3.815 -2.649 518 HG3 GLU 60 1HG GLU 60 12.019 -2.749 -2.325 519 H ASP 61 H ASP 61 15.305 -3.463 -2.169 520 HA ASP 61 HA ASP 61 14.606 -0.752 -1.519 521 HB2 ASP 61 2HB ASP 61 15.861 -2.624 -0.097 522 HB3 ASP 61 1HB ASP 61 17.302 -1.876 -0.777 523 H MET 62 H MET 62 17.580 -2.091 -2.989 524 HA MET 62 HA MET 62 18.738 0.413 -3.658 525 HB2 MET 62 2HB MET 62 19.028 -2.291 -5.004 526 HB3 MET 62 1HB MET 62 20.068 -0.902 -5.320 527 HG2 MET 62 2HG MET 62 19.664 -2.078 -2.559 528 HG3 MET 62 1HG MET 62 20.989 -2.543 -3.625 529 HE1 MET 62 3HE MET 62 22.210 -1.813 -1.252 530 HE2 MET 62 1HE MET 62 23.297 -0.464 -1.613 531 HE3 MET 62 2HE MET 62 23.116 -1.787 -2.763 532 H LEU 63 H LEU 63 16.389 -1.630 -5.317 533 HA LEU 63 HA LEU 63 16.405 0.065 -7.731 534 HB2 LEU 63 2HB LEU 63 14.548 -2.146 -6.825 535 HB3 LEU 63 1HB LEU 63 14.446 -1.350 -8.388 536 HG LEU 63 HG LEU 63 16.935 -2.769 -7.391 537 HD11 LEU 63 1HD1 LEU 63 15.004 -4.328 -7.629 538 HD12 LEU 63 2HD1 LEU 63 16.276 -4.649 -8.806 539 HD13 LEU 63 3HD1 LEU 63 14.813 -3.799 -9.300 540 HD21 LEU 63 3HD2 LEU 63 17.286 -2.811 -10.001 541 HD22 LEU 63 1HD2 LEU 63 17.626 -1.325 -9.123 542 HD23 LEU 63 2HD2 LEU 63 16.114 -1.496 -10.012 543 H LEU 64 H LEU 64 14.605 -0.165 -4.737 544 HA LEU 64 HA LEU 64 12.437 1.581 -5.619 545 HB2 LEU 64 2HB LEU 64 11.995 0.021 -3.818 546 HB3 LEU 64 1HB LEU 64 13.342 0.649 -2.880 547 HG LEU 64 HG LEU 64 12.202 2.766 -2.556 548 HD11 LEU 64 1HD1 LEU 64 9.742 2.856 -3.429 549 HD12 LEU 64 2HD1 LEU 64 10.261 1.609 -4.561 550 HD13 LEU 64 3HD1 LEU 64 11.044 3.184 -4.566 551 HD21 LEU 64 3HD2 LEU 64 10.337 1.991 -1.206 552 HD22 LEU 64 1HD2 LEU 64 11.638 0.808 -1.091 553 HD23 LEU 64 2HD2 LEU 64 10.245 0.490 -2.125 554 H ASP 65 H ASP 65 15.472 1.946 -3.819 555 HA ASP 65 HA ASP 65 15.244 4.577 -2.905 556 HB2 ASP 65 2HB ASP 65 17.224 3.010 -2.629 557 HB3 ASP 65 1HB ASP 65 17.724 3.481 -4.253 558 H GLN 66 H GLN 66 15.624 3.410 -6.180 559 HA GLN 66 HA GLN 66 16.248 6.043 -7.295 560 HB2 GLN 66 2HB GLN 66 16.910 3.810 -8.328 561 HB3 GLN 66 1HB GLN 66 15.218 3.619 -8.788 562 HG2 GLN 66 2HG GLN 66 16.328 4.592 -10.679 563 HG3 GLN 66 1HG GLN 66 15.391 5.886 -9.932 564 HE21 GLN 66 1HE2 GLN 66 18.715 4.510 -10.008 565 HE22 GLN 66 2HE2 GLN 66 19.491 5.977 -9.654 566 H LYS 67 H LYS 67 13.347 3.978 -7.118 567 HA LYS 67 HA LYS 67 11.703 5.984 -8.490 568 HB2 LYS 67 2HB LYS 67 10.717 3.637 -6.850 569 HB3 LYS 67 1HB LYS 67 9.881 4.467 -8.162 570 HG2 LYS 67 2HG LYS 67 11.734 3.726 -9.703 571 HG3 LYS 67 1HG LYS 67 12.364 2.744 -8.379 572 HD2 LYS 67 2HD LYS 67 10.245 1.510 -8.257 573 HD3 LYS 67 1HD LYS 67 9.572 2.514 -9.543 574 HE2 LYS 67 2HE LYS 67 10.349 0.422 -10.512 575 HE3 LYS 67 1HE LYS 67 11.408 1.725 -11.051 576 HZ1 LYS 67 3HZ LYS 67 12.630 -0.251 -10.299 577 HZ2 LYS 67 1HZ LYS 67 11.966 -0.066 -8.749 578 HZ3 LYS 67 2HZ LYS 67 13.001 1.127 -9.376 579 H TYR 68 H TYR 68 11.826 4.709 -5.158 580 HA TYR 68 HA TYR 68 9.981 6.421 -3.927 581 HB2 TYR 68 2HB TYR 68 10.871 4.732 -2.535 582 HB3 TYR 68 1HB TYR 68 12.530 5.108 -2.981 583 HD1 TYR 68 2HD TYR 68 13.642 7.143 -2.085 584 HD2 TYR 68 1HD TYR 68 9.763 5.897 -0.728 585 HE1 TYR 68 2HE TYR 68 13.865 8.617 -0.110 586 HE2 TYR 68 1HE TYR 68 9.984 7.373 1.248 587 HH TYR 68 HH TYR 68 12.789 9.516 1.643 588 H ALA 69 H ALA 69 13.383 7.014 -4.727 589 HA ALA 69 HA ALA 69 13.709 9.542 -3.522 590 HB1 ALA 69 1HB ALA 69 15.299 9.939 -5.528 591 HB2 ALA 69 2HB ALA 69 14.828 8.323 -6.056 592 HB3 ALA 69 3HB ALA 69 15.637 8.544 -4.505 593 H GLU 70 H GLU 70 11.990 8.569 -6.417 594 HA GLU 70 HA GLU 70 11.416 11.374 -7.194 595 HB2 GLU 70 2HB GLU 70 10.771 8.688 -8.435 596 HB3 GLU 70 1HB GLU 70 10.179 10.218 -9.084 597 HG2 GLU 70 2HG GLU 70 12.450 11.015 -9.421 598 HG3 GLU 70 1HG GLU 70 13.108 9.583 -8.627 599 H TYR 71 H TYR 71 9.536 8.397 -6.470 600 HA TYR 71 HA TYR 71 7.066 9.900 -6.184 601 HB2 TYR 71 2HB TYR 71 7.766 7.048 -5.470 602 HB3 TYR 71 1HB TYR 71 6.138 7.718 -5.444 603 HD1 TYR 71 2HD TYR 71 5.040 8.467 -7.537 604 HD2 TYR 71 1HD TYR 71 8.870 6.526 -7.562 605 HE1 TYR 71 2HE TYR 71 4.810 8.045 -9.970 606 HE2 TYR 71 1HE TYR 71 8.642 6.104 -9.995 607 HH TYR 71 HH TYR 71 6.251 7.613 -11.903 608 H GLY 72 H GLY 72 9.299 8.356 -3.896 609 HA2 GLY 72 2HA GLY 72 9.761 9.172 -1.685 610 HA3 GLY 72 1HA GLY 72 8.329 10.200 -1.783 611 HA PRO 73 HA PRO 73 7.314 6.532 0.890 612 HB2 PRO 73 2HB PRO 73 5.629 8.574 2.269 613 HB3 PRO 73 1HB PRO 73 6.784 7.417 2.963 614 HG2 PRO 73 2HG PRO 73 7.359 10.031 2.800 615 HG3 PRO 73 1HG PRO 73 8.607 8.791 2.560 616 HD2 PRO 73 2HD PRO 73 7.155 10.424 0.482 617 HD3 PRO 73 1HD PRO 73 8.869 9.953 0.542 618 H LYS 74 H LYS 74 5.968 7.654 -1.673 619 HA LYS 74 HA LYS 74 3.102 7.299 -1.075 620 HB2 LYS 74 2HB LYS 74 4.686 7.720 -3.614 621 HB3 LYS 74 1HB LYS 74 2.945 7.450 -3.617 622 HG2 LYS 74 2HG LYS 74 2.642 9.411 -2.142 623 HG3 LYS 74 1HG LYS 74 4.385 9.686 -2.159 624 HD2 LYS 74 2HD LYS 74 4.313 9.982 -4.612 625 HD3 LYS 74 1HD LYS 74 2.567 9.726 -4.586 626 HE2 LYS 74 2HE LYS 74 4.083 11.975 -3.230 627 HE3 LYS 74 1HE LYS 74 3.003 12.120 -4.617 628 HZ1 LYS 74 3HZ LYS 74 2.271 11.312 -1.858 629 HZ2 LYS 74 1HZ LYS 74 1.212 11.225 -3.181 630 HZ3 LYS 74 2HZ LYS 74 1.807 12.731 -2.668 631 H TRP 75 H TRP 75 3.903 5.075 -0.128 632 HA TRP 75 HA TRP 75 4.742 2.951 -1.725 633 HB2 TRP 75 2HB TRP 75 2.632 2.493 0.375 634 HB3 TRP 75 1HB TRP 75 4.071 1.538 0.013 635 HD1 TRP 75 HD TRP 75 2.839 3.783 2.528 636 HE1 TRP 75 1HE TRP 75 4.755 4.848 3.886 637 HE3 TRP 75 3HE TRP 75 6.792 2.785 -0.554 638 HZ2 TRP 75 2HZ TRP 75 7.571 5.235 3.696 639 HZ3 TRP 75 3HZ TRP 75 9.076 3.520 0.062 640 HH2 TRP 75 HH TRP 75 9.471 4.743 2.178 641 H ASN 76 H ASN 76 1.913 4.732 -2.037 642 HA ASN 76 HA ASN 76 0.121 2.677 -2.996 643 HB2 ASN 76 2HB ASN 76 -0.718 4.867 -2.236 644 HB3 ASN 76 1HB ASN 76 0.154 5.662 -3.546 645 HD21 ASN 76 1HD2 ASN 76 -2.146 6.389 -4.162 646 HD22 ASN 76 2HD2 ASN 76 -3.071 5.339 -5.122 647 H LYS 77 H LYS 77 2.527 4.788 -4.485 648 HA LYS 77 HA LYS 77 1.893 3.846 -7.203 649 HB2 LYS 77 2HB LYS 77 4.246 5.466 -6.183 650 HB3 LYS 77 1HB LYS 77 3.795 5.248 -7.870 651 HG2 LYS 77 2HG LYS 77 1.883 6.459 -5.855 652 HG3 LYS 77 1HG LYS 77 3.054 7.444 -6.725 653 HD2 LYS 77 2HD LYS 77 2.096 6.492 -8.883 654 HD3 LYS 77 1HD LYS 77 0.804 5.792 -7.907 655 HE2 LYS 77 2HE LYS 77 0.186 8.019 -7.088 656 HE3 LYS 77 1HE LYS 77 1.505 8.738 -8.012 657 HZ1 LYS 77 3HZ LYS 77 -1.085 7.883 -8.892 658 HZ2 LYS 77 1HZ LYS 77 0.165 7.251 -9.848 659 HZ3 LYS 77 2HZ LYS 77 0.023 8.932 -9.640 660 H ILE 78 H ILE 78 4.283 3.317 -4.670 661 HA ILE 78 HA ILE 78 6.019 1.642 -6.237 662 HB ILE 78 HB ILE 78 5.654 1.460 -3.239 663 HG12 ILE 78 2HG1 ILE 78 5.749 3.828 -3.674 664 HG13 ILE 78 1HG1 ILE 78 7.346 3.335 -3.118 665 HG21 ILE 78 1HG2 ILE 78 8.021 1.144 -5.107 666 HG22 ILE 78 2HG2 ILE 78 7.216 -0.131 -4.195 667 HG23 ILE 78 3HG2 ILE 78 8.134 1.113 -3.348 668 HD11 ILE 78 3HD1 ILE 78 6.464 3.988 -5.933 669 HD12 ILE 78 1HD1 ILE 78 7.948 3.091 -5.612 670 HD13 ILE 78 2HD1 ILE 78 7.758 4.730 -4.993 671 H SER 79 H SER 79 3.545 0.859 -3.769 672 HA SER 79 HA SER 79 3.609 -1.927 -3.943 673 HB2 SER 79 2HB SER 79 1.350 -1.936 -3.127 674 HB3 SER 79 1HB SER 79 2.160 -0.550 -2.406 675 HG SER 79 HG SER 79 0.441 -0.575 -4.669 676 H LYS 80 H LYS 80 2.470 0.304 -6.354 677 HA LYS 80 HA LYS 80 0.933 -1.707 -7.830 678 HB2 LYS 80 2HB LYS 80 1.874 1.098 -8.496 679 HB3 LYS 80 1HB LYS 80 1.000 0.089 -9.649 680 HG2 LYS 80 2HG LYS 80 -0.904 -0.075 -8.153 681 HG3 LYS 80 1HG LYS 80 -0.023 0.761 -6.878 682 HD2 LYS 80 2HD LYS 80 -1.504 2.360 -7.936 683 HD3 LYS 80 1HD LYS 80 0.151 2.762 -8.383 684 HE2 LYS 80 2HE LYS 80 -0.115 1.936 -10.582 685 HE3 LYS 80 1HE LYS 80 -1.538 0.986 -10.154 686 HZ1 LYS 80 3HZ LYS 80 -1.723 3.852 -9.714 687 HZ2 LYS 80 1HZ LYS 80 -2.884 2.764 -10.300 688 HZ3 LYS 80 2HZ LYS 80 -1.671 3.350 -11.336 689 H PHE 81 H PHE 81 4.225 -0.731 -7.579 690 HA PHE 81 HA PHE 81 4.976 -1.961 -10.171 691 HB2 PHE 81 2HB PHE 81 6.415 -0.379 -8.038 692 HB3 PHE 81 1HB PHE 81 7.339 -1.300 -9.222 693 HD1 PHE 81 1HD PHE 81 6.511 -0.998 -11.743 694 HD2 PHE 81 2HD PHE 81 5.873 1.856 -8.593 695 HE1 PHE 81 1HE PHE 81 6.206 0.795 -13.426 696 HE2 PHE 81 2HE PHE 81 5.569 3.646 -10.279 697 HZ PHE 81 HZ PHE 81 5.735 3.116 -12.695 698 H LEU 82 H LEU 82 4.407 -2.864 -7.003 699 HA LEU 82 HA LEU 82 6.294 -5.197 -7.075 700 HB2 LEU 82 2HB LEU 82 4.812 -3.718 -4.901 701 HB3 LEU 82 1HB LEU 82 5.401 -5.352 -4.617 702 HG LEU 82 HG LEU 82 7.673 -4.709 -4.833 703 HD11 LEU 82 1HD1 LEU 82 6.646 -2.169 -6.119 704 HD12 LEU 82 2HD1 LEU 82 7.688 -3.389 -6.843 705 HD13 LEU 82 3HD1 LEU 82 8.305 -2.351 -5.566 706 HD21 LEU 82 3HD2 LEU 82 6.460 -3.827 -2.791 707 HD22 LEU 82 1HD2 LEU 82 6.376 -2.267 -3.595 708 HD23 LEU 82 2HD2 LEU 82 7.942 -2.971 -3.190 709 H LYS 83 H LYS 83 3.009 -4.617 -5.786 710 HA LYS 83 HA LYS 83 1.021 -5.782 -6.115 711 HB2 LYS 83 2HB LYS 83 2.161 -5.941 -8.553 712 HB3 LYS 83 1HB LYS 83 2.247 -7.645 -8.136 713 HG2 LYS 83 2HG LYS 83 -0.151 -7.756 -7.808 714 HG3 LYS 83 1HG LYS 83 -0.314 -6.012 -7.993 715 HD2 LYS 83 2HD LYS 83 0.719 -7.874 -10.155 716 HD3 LYS 83 1HD LYS 83 -0.937 -7.285 -10.059 717 HE2 LYS 83 2HE LYS 83 0.288 -4.896 -9.962 718 HE3 LYS 83 1HE LYS 83 1.559 -5.791 -10.799 719 HZ1 LYS 83 3HZ LYS 83 0.013 -6.440 -12.481 720 HZ2 LYS 83 1HZ LYS 83 -0.073 -4.755 -12.301 721 HZ3 LYS 83 2HZ LYS 83 -1.287 -5.743 -11.639 722 H ASN 84 H ASN 84 3.766 -6.767 -4.828 723 HA ASN 84 HA ASN 84 2.717 -9.451 -3.995 724 HB2 ASN 84 2HB ASN 84 5.577 -8.476 -4.246 725 HB3 ASN 84 1HB ASN 84 5.107 -10.025 -3.546 726 HD21 ASN 84 1HD2 ASN 84 2.857 -9.475 -5.920 727 HD22 ASN 84 2HD2 ASN 84 3.611 -10.266 -7.218 728 H ARG 85 H ARG 85 3.956 -6.343 -3.065 729 HA ARG 85 HA ARG 85 3.809 -7.088 -0.155 730 HB2 ARG 85 2HB ARG 85 4.967 -4.487 -1.146 731 HB3 ARG 85 1HB ARG 85 5.365 -5.400 0.305 732 HG2 ARG 85 2HG ARG 85 6.055 -6.237 -2.533 733 HG3 ARG 85 1HG ARG 85 7.172 -5.535 -1.376 734 HD2 ARG 85 2HD ARG 85 6.502 -7.500 0.178 735 HD3 ARG 85 1HD ARG 85 5.850 -8.241 -1.285 736 HE ARG 85 HE ARG 85 8.611 -7.284 -1.548 737 HH11 ARG 85 1HH2 ARG 85 6.471 -9.858 -0.714 738 HH12 ARG 85 2HH2 ARG 85 7.651 -11.098 -0.984 739 HH21 ARG 85 1HH1 ARG 85 10.157 -8.889 -1.903 740 HH22 ARG 85 2HH1 ARG 85 9.734 -10.550 -1.655 741 H SER 86 H SER 86 3.160 -4.974 1.126 742 HA SER 86 HA SER 86 0.748 -3.743 -0.163 743 HB2 SER 86 2HB SER 86 -0.369 -5.044 1.386 744 HB3 SER 86 1HB SER 86 1.059 -5.233 2.396 745 HG SER 86 HG SER 86 0.157 -3.769 3.596 746 H ASP 87 H ASP 87 0.284 -1.648 0.623 747 HA ASP 87 HA ASP 87 2.531 0.039 0.942 748 HB2 ASP 87 2HB ASP 87 0.813 1.765 1.708 749 HB3 ASP 87 1HB ASP 87 0.498 1.026 0.137 750 H ASN 88 H ASN 88 0.674 -1.782 3.202 751 HA ASN 88 HA ASN 88 1.634 -0.362 5.578 752 HB2 ASN 88 2HB ASN 88 -0.548 -1.662 5.429 753 HB3 ASN 88 1HB ASN 88 0.421 -3.137 5.417 754 HD21 ASN 88 1HD2 ASN 88 -1.122 -3.162 7.565 755 HD22 ASN 88 2HD2 ASN 88 -0.332 -2.638 8.973 756 H ASN 89 H ASN 89 2.586 -3.089 3.587 757 HA ASN 89 HA ASN 89 4.591 -4.056 5.502 758 HB2 ASN 89 2HB ASN 89 3.334 -5.516 3.842 759 HB3 ASN 89 1HB ASN 89 4.271 -4.742 2.564 760 HD21 ASN 89 1HD2 ASN 89 5.845 -6.249 1.960 761 HD22 ASN 89 2HD2 ASN 89 6.844 -7.092 3.044 762 H ILE 90 H ILE 90 4.566 -2.468 2.318 763 HA ILE 90 HA ILE 90 7.343 -2.135 2.025 764 HB ILE 90 HB ILE 90 5.122 -0.272 1.131 765 HG12 ILE 90 2HG1 ILE 90 6.523 -2.517 -0.340 766 HG13 ILE 90 1HG1 ILE 90 4.958 -2.691 0.445 767 HG21 ILE 90 1HG2 ILE 90 7.350 0.790 0.981 768 HG22 ILE 90 2HG2 ILE 90 6.753 0.392 -0.627 769 HG23 ILE 90 3HG2 ILE 90 7.973 -0.625 0.137 770 HD11 ILE 90 3HD1 ILE 90 4.125 -0.782 -0.962 771 HD12 ILE 90 1HD1 ILE 90 4.563 -2.225 -1.872 772 HD13 ILE 90 2HD1 ILE 90 5.653 -0.841 -1.841 773 H ARG 91 H ARG 91 5.025 0.246 3.353 774 HA ARG 91 HA ARG 91 6.888 2.176 4.214 775 HB2 ARG 91 2HB ARG 91 4.358 2.333 4.310 776 HB3 ARG 91 1HB ARG 91 4.416 1.338 5.755 777 HG2 ARG 91 2HG ARG 91 6.057 3.085 6.701 778 HG3 ARG 91 1HG ARG 91 5.558 4.110 5.356 779 HD2 ARG 91 2HD ARG 91 3.158 3.730 6.110 780 HD3 ARG 91 1HD ARG 91 3.824 2.993 7.568 781 HE ARG 91 HE ARG 91 5.022 5.568 7.174 782 HH11 ARG 91 1HH2 ARG 91 2.072 3.995 8.022 783 HH12 ARG 91 2HH2 ARG 91 1.511 5.296 9.019 784 HH21 ARG 91 1HH1 ARG 91 4.306 7.273 8.471 785 HH22 ARG 91 2HH1 ARG 91 2.776 7.152 9.273 786 H ASN 92 H ASN 92 5.956 -0.886 5.628 787 HA ASN 92 HA ASN 92 7.340 -0.455 8.149 788 HB2 ASN 92 2HB ASN 92 5.417 -2.080 7.756 789 HB3 ASN 92 1HB ASN 92 6.579 -3.126 6.942 790 HD21 ASN 92 1HD2 ASN 92 7.120 -1.093 9.855 791 HD22 ASN 92 2HD2 ASN 92 7.511 -2.392 10.875 792 H ARG 93 H ARG 93 8.149 -2.188 5.114 793 HA ARG 93 HA ARG 93 10.709 -3.102 6.152 794 HB2 ARG 93 2HB ARG 93 9.349 -3.066 3.476 795 HB3 ARG 93 1HB ARG 93 11.101 -3.245 3.481 796 HG2 ARG 93 2HG ARG 93 9.833 -5.423 3.497 797 HG3 ARG 93 1HG ARG 93 10.982 -5.237 4.818 798 HD2 ARG 93 2HD ARG 93 8.170 -4.343 5.335 799 HD3 ARG 93 1HD ARG 93 8.462 -6.071 5.255 800 HE ARG 93 HE ARG 93 10.389 -4.734 6.961 801 HH11 ARG 93 1HH2 ARG 93 7.191 -5.995 6.692 802 HH12 ARG 93 2HH2 ARG 93 7.030 -6.310 8.387 803 HH21 ARG 93 1HH1 ARG 93 10.196 -5.138 9.176 804 HH22 ARG 93 2HH1 ARG 93 8.730 -5.825 9.793 805 H TRP 94 H TRP 94 9.699 -0.373 4.089 806 HA TRP 94 HA TRP 94 12.314 0.682 3.657 807 HB2 TRP 94 2HB TRP 94 10.337 1.451 2.393 808 HB3 TRP 94 1HB TRP 94 9.672 2.163 3.863 809 HD1 TRP 94 HD TRP 94 12.224 2.737 1.146 810 HE1 TRP 94 1HE TRP 94 13.295 5.062 1.453 811 HE3 TRP 94 3HE TRP 94 10.361 3.968 5.739 812 HZ2 TRP 94 2HZ TRP 94 13.353 7.166 3.390 813 HZ3 TRP 94 3HZ TRP 94 10.940 6.135 6.791 814 HH2 TRP 94 HH TRP 94 12.432 7.735 5.624 815 H MET 95 H MET 95 9.968 1.162 6.278 816 HA MET 95 HA MET 95 11.548 3.172 7.639 817 HB2 MET 95 2HB MET 95 9.110 2.921 8.006 818 HB3 MET 95 1HB MET 95 9.393 1.338 8.733 819 HG2 MET 95 2HG MET 95 10.657 2.312 10.540 820 HG3 MET 95 1HG MET 95 10.655 3.893 9.759 821 HE1 MET 95 3HE MET 95 9.089 1.551 12.162 822 HE2 MET 95 1HE MET 95 8.173 1.014 10.748 823 HE3 MET 95 2HE MET 95 7.347 1.801 12.090 824 H MET 96 H MET 96 11.380 -0.350 7.735 825 HA MET 96 HA MET 96 13.092 -0.560 10.104 826 HB2 MET 96 2HB MET 96 11.400 -2.306 9.492 827 HB3 MET 96 1HB MET 96 12.359 -2.681 8.060 828 HG2 MET 96 2HG MET 96 14.268 -3.297 9.452 829 HG3 MET 96 1HG MET 96 13.393 -2.822 10.908 830 HE1 MET 96 3HE MET 96 14.418 -5.308 11.448 831 HE2 MET 96 1HE MET 96 14.786 -5.714 9.766 832 HE3 MET 96 2HE MET 96 13.792 -6.793 10.740 833 H ILE 97 H ILE 97 13.440 -0.587 6.609 834 HA ILE 97 HA ILE 97 16.271 -1.363 6.728 835 HB ILE 97 HB ILE 97 14.489 -0.442 4.451 836 HG12 ILE 97 2HG1 ILE 97 15.707 -3.168 4.982 837 HG13 ILE 97 1HG1 ILE 97 14.096 -2.720 5.539 838 HG21 ILE 97 1HG2 ILE 97 17.390 -1.312 4.499 839 HG22 ILE 97 2HG2 ILE 97 16.723 0.185 3.847 840 HG23 ILE 97 3HG2 ILE 97 16.412 -1.347 3.032 841 HD11 ILE 97 3HD1 ILE 97 14.130 -3.923 3.318 842 HD12 ILE 97 1HD1 ILE 97 14.972 -2.526 2.646 843 HD13 ILE 97 2HD1 ILE 97 13.336 -2.349 3.280 844 H ALA 98 H ALA 98 14.320 1.551 6.410 845 HA ALA 98 HA ALA 98 16.570 3.280 5.767 846 HB1 ALA 98 1HB ALA 98 14.271 3.915 5.149 847 HB2 ALA 98 2HB ALA 98 14.975 5.119 6.228 848 HB3 ALA 98 3HB ALA 98 13.816 3.947 6.854 849 H ARG 99 H ARG 99 15.347 1.826 8.611 850 HA ARG 99 HA ARG 99 16.247 3.822 10.501 851 HB2 ARG 99 2HB ARG 99 14.519 2.115 11.055 852 HB3 ARG 99 1HB ARG 99 15.751 0.859 10.923 853 HG2 ARG 99 2HG ARG 99 17.018 1.831 12.751 854 HG3 ARG 99 1HG ARG 99 15.924 3.213 12.825 855 HD2 ARG 99 2HD ARG 99 14.089 1.810 13.532 856 HD3 ARG 99 1HD ARG 99 15.037 0.348 13.257 857 HE ARG 99 HE ARG 99 16.310 2.129 15.168 858 HH11 ARG 99 1HH2 ARG 99 13.882 -0.267 14.659 859 HH12 ARG 99 2HH2 ARG 99 13.894 -0.818 16.301 860 HH21 ARG 99 1HH1 ARG 99 16.337 1.424 17.315 861 HH22 ARG 99 2HH1 ARG 99 15.283 0.138 17.805 862 H HIS 100 H HIS 100 17.757 1.346 8.649 863 HA HIS 100 HA HIS 100 20.062 1.014 10.399 864 HB2 HIS 100 2HB HIS 100 19.254 -0.732 8.762 865 HB3 HIS 100 1HB HIS 100 19.811 0.319 7.460 866 HD1 HIS 100 1HD HIS 100 22.314 0.403 6.992 867 HD2 HIS 100 2HD HIS 100 21.398 -1.761 10.439 868 HE1 HIS 100 1HE HIS 100 24.459 -0.737 7.716 869 HE2 HIS 100 2HE HIS 100 23.912 -2.056 9.812 870 H ARG 101 H ARG 101 19.199 2.908 7.552 871 HA ARG 101 HA ARG 101 21.895 4.070 7.350 872 HB2 ARG 101 2HB ARG 101 20.459 3.612 5.334 873 HB3 ARG 101 1HB ARG 101 19.361 4.874 5.896 874 HG2 ARG 101 2HG ARG 101 21.128 6.541 5.759 875 HG3 ARG 101 1HG ARG 101 22.312 5.300 5.344 876 HD2 ARG 101 2HD ARG 101 20.983 4.778 3.293 877 HD3 ARG 101 1HD ARG 101 19.908 6.119 3.688 878 HE ARG 101 HE ARG 101 21.561 7.590 2.879 879 HH11 ARG 101 1HH2 ARG 101 22.859 4.488 3.645 880 HH12 ARG 101 2HH2 ARG 101 24.435 4.848 3.022 881 HH21 ARG 101 1HH1 ARG 101 23.611 8.075 2.062 882 HH22 ARG 101 2HH1 ARG 101 24.861 6.877 2.127 883 H ALA 102 H ALA 102 18.907 4.717 8.940 884 HA ALA 102 HA ALA 102 19.473 7.599 9.306 885 HB1 ALA 102 1HB ALA 102 17.301 5.941 10.612 886 HB2 ALA 102 2HB ALA 102 17.139 6.637 9.000 887 HB3 ALA 102 3HB ALA 102 17.341 7.692 10.399 888 H LYS 103 H LYS 103 21.075 5.174 10.508 889 HA LYS 103 HA LYS 103 20.753 5.524 13.375 890 HB2 LYS 103 2HB LYS 103 22.668 4.022 13.515 891 HB3 LYS 103 1HB LYS 103 21.519 3.405 12.331 892 HG2 LYS 103 2HG LYS 103 22.886 4.534 10.538 893 HG3 LYS 103 1HG LYS 103 24.098 4.895 11.767 894 HD2 LYS 103 2HD LYS 103 24.437 2.540 12.221 895 HD3 LYS 103 1HD LYS 103 23.100 2.096 11.162 896 HE2 LYS 103 2HE LYS 103 25.115 1.745 9.906 897 HE3 LYS 103 1HE LYS 103 24.375 3.212 9.266 898 HZ1 LYS 103 3HZ LYS 103 26.857 2.872 10.687 899 HZ2 LYS 103 1HZ LYS 103 25.908 4.149 11.275 900 HZ3 LYS 103 2HZ LYS 103 26.365 4.115 9.639 901 H HIS 104 H HIS 104 21.321 7.890 11.704 902 HA HIS 104 HA HIS 104 22.558 9.836 11.816 903 HB2 HIS 104 2HB HIS 104 23.799 8.670 14.311 904 HB3 HIS 104 1HB HIS 104 23.608 10.368 13.892 905 HD1 HIS 104 1HD HIS 104 21.362 11.472 14.360 906 HD2 HIS 104 2HD HIS 104 21.302 7.354 15.034 907 HE1 HIS 104 1HE HIS 104 19.158 10.962 15.503 908 HE2 HIS 104 2HE HIS 104 19.112 8.460 15.917 909 H GLN 105 H GLN 105 24.838 7.360 13.069 910 HA GLN 105 HA GLN 105 27.029 6.887 12.398 911 HB2 GLN 105 2HB GLN 105 25.794 5.955 10.470 912 HB3 GLN 105 1HB GLN 105 25.826 7.528 9.682 913 HG2 GLN 105 2HG GLN 105 27.598 6.081 8.784 914 HG3 GLN 105 1HG GLN 105 28.309 7.447 9.637 915 HE21 GLN 105 1HE2 GLN 105 27.984 3.965 9.622 916 HE22 GLN 105 2HE2 GLN 105 28.955 3.670 10.983 917 H LYS 106 H LYS 106 26.642 9.155 9.733 918 HA LYS 106 HA LYS 106 28.995 10.619 10.513 919 HB2 LYS 106 2HB LYS 106 28.365 12.164 8.676 920 HB3 LYS 106 1HB LYS 106 28.296 10.476 8.167 921 HG2 LYS 106 2HG LYS 106 25.795 10.562 8.772 922 HG3 LYS 106 1HG LYS 106 25.991 12.314 8.854 923 HD2 LYS 106 2HD LYS 106 26.810 12.344 6.532 924 HD3 LYS 106 1HD LYS 106 26.632 10.591 6.443 925 HE2 LYS 106 2HE LYS 106 24.408 12.603 6.886 926 HE3 LYS 106 1HE LYS 106 24.678 11.644 5.431 927 HZ1 LYS 106 3HZ LYS 106 24.620 9.858 7.538 928 HZ2 LYS 106 1HZ LYS 106 23.435 10.075 6.344 929 HZ3 LYS 106 2HZ LYS 106 23.327 10.926 7.810 930 H SER 107 H SER 107 25.513 11.354 10.719 931 HA SER 107 HA SER 107 25.965 13.931 11.995 932 HB2 SER 107 2HB SER 107 23.604 14.088 12.133 933 HB3 SER 107 1HB SER 107 23.890 13.173 10.656 934 HG SER 107 HG SER 107 22.725 12.414 13.023 Start of MODEL 20 1 H1 LYS 1 1HT LYS 1 -0.646 10.470 -1.252 2 H2 LYS 1 2HT LYS 1 0.230 10.480 0.204 3 H3 LYS 1 3HT LYS 1 -1.200 11.387 0.063 4 HA LYS 1 HA LYS 1 -0.937 8.435 0.118 5 HB2 LYS 1 2HB LYS 1 -0.914 9.806 2.277 6 HB3 LYS 1 1HB LYS 1 -2.564 10.283 1.886 7 HG2 LYS 1 2HG LYS 1 -3.315 7.985 1.946 8 HG3 LYS 1 1HG LYS 1 -1.660 7.396 2.103 9 HD2 LYS 1 2HD LYS 1 -1.478 8.639 4.268 10 HD3 LYS 1 1HD LYS 1 -3.184 9.061 4.125 11 HE2 LYS 1 2HE LYS 1 -3.821 6.716 4.160 12 HE3 LYS 1 1HE LYS 1 -2.129 6.220 4.138 13 HZ1 LYS 1 2HZ LYS 1 -3.698 7.397 6.317 14 HZ2 LYS 1 3HZ LYS 1 -2.033 7.734 6.248 15 HZ3 LYS 1 1HZ LYS 1 -2.568 6.128 6.360 16 H VAL 2 H VAL 2 -3.131 7.378 0.060 17 HA VAL 2 HA VAL 2 -4.596 8.244 -2.256 18 HB VAL 2 HB VAL 2 -5.449 6.271 -0.115 19 HG11 VAL 2 1HG1 VAL 2 -7.338 6.729 -1.486 20 HG12 VAL 2 2HG1 VAL 2 -6.642 5.264 -2.171 21 HG13 VAL 2 3HG1 VAL 2 -6.360 6.821 -2.950 22 HG21 VAL 2 3HG2 VAL 2 -4.445 4.584 -1.658 23 HG22 VAL 2 1HG2 VAL 2 -3.243 5.698 -1.007 24 HG23 VAL 2 2HG2 VAL 2 -3.833 5.901 -2.657 25 H LYS 3 H LYS 3 -7.022 8.665 -2.168 26 HA LYS 3 HA LYS 3 -7.596 11.022 -0.761 27 HB2 LYS 3 2HB LYS 3 -9.467 8.895 -1.833 28 HB3 LYS 3 1HB LYS 3 -10.016 10.458 -1.227 29 HG2 LYS 3 2HG LYS 3 -8.525 11.583 -2.881 30 HG3 LYS 3 1HG LYS 3 -8.096 10.000 -3.530 31 HD2 LYS 3 2HD LYS 3 -10.364 9.575 -4.212 32 HD3 LYS 3 1HD LYS 3 -10.949 10.998 -3.349 33 HE2 LYS 3 2HE LYS 3 -9.556 12.430 -4.849 34 HE3 LYS 3 1HE LYS 3 -9.108 10.986 -5.758 35 HZ1 LYS 3 3HZ LYS 3 -11.940 11.671 -5.296 36 HZ2 LYS 3 1HZ LYS 3 -11.268 10.686 -6.502 37 HZ3 LYS 3 2HZ LYS 3 -11.074 12.372 -6.578 38 H PHE 4 H PHE 4 -8.605 7.688 0.121 39 HA PHE 4 HA PHE 4 -9.645 8.649 2.694 40 HB2 PHE 4 2HB PHE 4 -9.998 6.184 3.117 41 HB3 PHE 4 1HB PHE 4 -10.847 6.823 1.724 42 HD1 PHE 4 1HD PHE 4 -7.952 4.789 2.844 43 HD2 PHE 4 2HD PHE 4 -10.257 6.178 -0.498 44 HE1 PHE 4 1HE PHE 4 -6.815 3.142 1.364 45 HE2 PHE 4 2HE PHE 4 -9.130 4.542 -1.974 46 HZ PHE 4 HZ PHE 4 -7.410 3.032 -1.051 47 H THR 5 H THR 5 -8.881 7.766 4.742 48 HA THR 5 HA THR 5 -5.951 7.803 4.908 49 HB THR 5 HB THR 5 -8.189 7.790 6.926 50 HG1 THR 5 1HG THR 5 -7.772 9.741 5.873 51 HG21 THR 5 3HG2 THR 5 -6.529 6.621 8.082 52 HG22 THR 5 1HG2 THR 5 -6.245 8.291 8.547 53 HG23 THR 5 2HG2 THR 5 -5.222 7.529 7.331 54 H GLU 6 H GLU 6 -4.835 6.160 6.192 55 HA GLU 6 HA GLU 6 -5.194 3.526 5.286 56 HB2 GLU 6 2HB GLU 6 -3.659 2.839 7.055 57 HB3 GLU 6 1HB GLU 6 -3.124 4.380 6.383 58 HG2 GLU 6 2HG GLU 6 -4.451 5.491 8.286 59 HG3 GLU 6 1HG GLU 6 -4.545 3.885 9.008 60 H GLU 7 H GLU 7 -6.377 4.983 8.325 61 HA GLU 7 HA GLU 7 -7.513 2.787 9.575 62 HB2 GLU 7 2HB GLU 7 -7.508 5.217 10.347 63 HB3 GLU 7 1HB GLU 7 -8.921 5.456 9.319 64 HG2 GLU 7 2HG GLU 7 -10.010 3.526 10.537 65 HG3 GLU 7 1HG GLU 7 -8.655 3.567 11.666 66 H GLU 8 H GLU 8 -8.766 4.638 6.811 67 HA GLU 8 HA GLU 8 -11.269 3.178 6.696 68 HB2 GLU 8 2HB GLU 8 -9.913 5.311 5.209 69 HB3 GLU 8 1HB GLU 8 -10.724 4.195 4.113 70 HG2 GLU 8 2HG GLU 8 -12.258 5.986 4.714 71 HG3 GLU 8 1HG GLU 8 -12.816 4.486 5.455 72 H ASP 9 H ASP 9 -8.060 2.924 5.189 73 HA ASP 9 HA ASP 9 -8.547 0.864 3.321 74 HB2 ASP 9 2HB ASP 9 -6.308 2.008 3.835 75 HB3 ASP 9 1HB ASP 9 -6.132 0.853 5.154 76 H LEU 10 H LEU 10 -8.496 0.739 6.803 77 HA LEU 10 HA LEU 10 -8.453 -2.166 6.993 78 HB2 LEU 10 2HB LEU 10 -9.671 -0.373 9.106 79 HB3 LEU 10 1HB LEU 10 -8.731 -1.852 9.315 80 HG LEU 10 HG LEU 10 -7.677 0.824 8.379 81 HD11 LEU 10 1HD1 LEU 10 -8.150 0.695 10.791 82 HD12 LEU 10 2HD1 LEU 10 -6.416 0.780 10.481 83 HD13 LEU 10 3HD1 LEU 10 -7.162 -0.762 10.900 84 HD21 LEU 10 3HD2 LEU 10 -6.436 -0.864 7.221 85 HD22 LEU 10 1HD2 LEU 10 -6.359 -1.881 8.659 86 HD23 LEU 10 2HD2 LEU 10 -5.441 -0.376 8.593 87 H LYS 11 H LYS 11 -10.876 0.405 6.860 88 HA LYS 11 HA LYS 11 -13.202 -1.139 7.311 89 HB2 LYS 11 2HB LYS 11 -12.866 1.446 6.867 90 HB3 LYS 11 1HB LYS 11 -13.163 1.013 5.185 91 HG2 LYS 11 2HG LYS 11 -15.282 -0.113 5.920 92 HG3 LYS 11 1HG LYS 11 -14.995 0.505 7.545 93 HD2 LYS 11 2HD LYS 11 -14.878 2.833 6.504 94 HD3 LYS 11 1HD LYS 11 -15.498 2.102 5.024 95 HE2 LYS 11 2HE LYS 11 -16.855 2.317 7.714 96 HE3 LYS 11 1HE LYS 11 -17.434 2.887 6.150 97 HZ1 LYS 11 3HZ LYS 11 -18.426 0.749 7.052 98 HZ2 LYS 11 1HZ LYS 11 -16.944 0.020 6.673 99 HZ3 LYS 11 2HZ LYS 11 -17.880 0.726 5.443 100 H LEU 12 H LEU 12 -11.293 -0.657 4.339 101 HA LEU 12 HA LEU 12 -12.949 -2.076 2.532 102 HB2 LEU 12 2HB LEU 12 -9.980 -1.610 2.715 103 HB3 LEU 12 1HB LEU 12 -10.604 -2.678 1.476 104 HG LEU 12 HG LEU 12 -12.009 -0.886 0.590 105 HD11 LEU 12 1HD1 LEU 12 -11.666 1.438 1.545 106 HD12 LEU 12 2HD1 LEU 12 -10.860 0.675 2.911 107 HD13 LEU 12 3HD1 LEU 12 -12.558 0.333 2.589 108 HD21 LEU 12 3HD2 LEU 12 -10.124 0.731 -0.032 109 HD22 LEU 12 1HD2 LEU 12 -9.813 -0.972 -0.368 110 HD23 LEU 12 2HD2 LEU 12 -9.087 -0.203 1.044 111 H GLN 13 H GLN 13 -10.446 -3.214 4.817 112 HA GLN 13 HA GLN 13 -10.393 -5.921 4.040 113 HB2 GLN 13 2HB GLN 13 -9.011 -4.790 5.869 114 HB3 GLN 13 1HB GLN 13 -10.399 -5.002 6.931 115 HG2 GLN 13 2HG GLN 13 -9.124 -7.310 5.435 116 HG3 GLN 13 1HG GLN 13 -8.622 -6.830 7.052 117 HE21 GLN 13 1HE2 GLN 13 -10.544 -6.677 8.691 118 HE22 GLN 13 2HE2 GLN 13 -11.741 -7.875 8.563 119 H GLN 14 H GLN 14 -12.765 -4.222 6.073 120 HA GLN 14 HA GLN 14 -14.308 -6.698 6.535 121 HB2 GLN 14 2HB GLN 14 -14.890 -3.793 7.134 122 HB3 GLN 14 1HB GLN 14 -15.996 -5.108 7.526 123 HG2 GLN 14 2HG GLN 14 -14.754 -4.748 9.522 124 HG3 GLN 14 1HG GLN 14 -14.032 -6.182 8.797 125 HE21 GLN 14 1HE2 GLN 14 -11.815 -6.022 9.219 126 HE22 GLN 14 2HE2 GLN 14 -10.877 -4.636 8.937 127 H LEU 15 H LEU 15 -14.945 -3.647 4.740 128 HA LEU 15 HA LEU 15 -17.420 -4.501 3.634 129 HB2 LEU 15 2HB LEU 15 -15.382 -2.663 2.341 130 HB3 LEU 15 1HB LEU 15 -17.105 -2.725 1.984 131 HG LEU 15 HG LEU 15 -15.959 -2.040 4.707 132 HD11 LEU 15 1HD1 LEU 15 -15.319 -0.282 3.197 133 HD12 LEU 15 2HD1 LEU 15 -16.725 0.298 4.090 134 HD13 LEU 15 3HD1 LEU 15 -16.910 -0.280 2.436 135 HD21 LEU 15 3HD2 LEU 15 -18.364 -1.057 4.915 136 HD22 LEU 15 1HD2 LEU 15 -18.180 -2.804 5.037 137 HD23 LEU 15 2HD2 LEU 15 -18.751 -2.081 3.534 138 H VAL 16 H VAL 16 -14.190 -4.524 2.143 139 HA VAL 16 HA VAL 16 -14.900 -5.939 -0.192 140 HB VAL 16 HB VAL 16 -12.273 -6.131 1.307 141 HG11 VAL 16 1HG1 VAL 16 -12.445 -7.770 -0.460 142 HG12 VAL 16 2HG1 VAL 16 -11.400 -6.465 -1.020 143 HG13 VAL 16 3HG1 VAL 16 -13.070 -6.557 -1.576 144 HG21 VAL 16 3HG2 VAL 16 -13.132 -4.160 -0.831 145 HG22 VAL 16 1HG2 VAL 16 -11.582 -4.192 -0.000 146 HG23 VAL 16 2HG2 VAL 16 -13.048 -3.766 0.878 147 H MET 17 H MET 17 -14.233 -7.105 3.104 148 HA MET 17 HA MET 17 -14.034 -9.874 2.350 149 HB2 MET 17 2HB MET 17 -13.241 -9.264 4.522 150 HB3 MET 17 1HB MET 17 -14.758 -8.480 4.939 151 HG2 MET 17 2HG MET 17 -15.902 -10.561 5.103 152 HG3 MET 17 1HG MET 17 -14.585 -11.430 4.313 153 HE1 MET 17 3HE MET 17 -15.086 -13.030 6.107 154 HE2 MET 17 1HE MET 17 -15.934 -12.177 7.405 155 HE3 MET 17 2HE MET 17 -14.411 -13.000 7.734 156 H ARG 18 H ARG 18 -16.715 -7.669 2.941 157 HA ARG 18 HA ARG 18 -18.725 -9.810 2.944 158 HB2 ARG 18 2HB ARG 18 -19.009 -7.625 4.165 159 HB3 ARG 18 1HB ARG 18 -19.133 -6.826 2.596 160 HG2 ARG 18 2HG ARG 18 -21.087 -8.164 2.020 161 HG3 ARG 18 1HG ARG 18 -20.933 -9.087 3.516 162 HD2 ARG 18 2HD ARG 18 -21.247 -6.971 4.805 163 HD3 ARG 18 1HD ARG 18 -21.521 -6.120 3.285 164 HE ARG 18 HE ARG 18 -23.304 -8.344 3.411 165 HH11 ARG 18 1HH2 ARG 18 -22.627 -5.305 4.894 166 HH12 ARG 18 2HH2 ARG 18 -24.274 -5.002 5.333 167 HH21 ARG 18 1HH1 ARG 18 -25.459 -7.964 3.977 168 HH22 ARG 18 2HH1 ARG 18 -25.877 -6.508 4.816 169 H TYR 19 H TYR 19 -17.333 -7.554 0.601 170 HA TYR 19 HA TYR 19 -19.235 -8.469 -1.506 171 HB2 TYR 19 2HB TYR 19 -17.050 -6.363 -1.587 172 HB3 TYR 19 1HB TYR 19 -18.222 -6.686 -2.864 173 HD1 TYR 19 1HD TYR 19 -20.749 -6.683 -2.108 174 HD2 TYR 19 2HD TYR 19 -17.585 -4.699 0.012 175 HE1 TYR 19 1HE TYR 19 -22.411 -5.239 -0.975 176 HE2 TYR 19 2HE TYR 19 -19.248 -3.255 1.142 177 HH TYR 19 HH TYR 19 -22.594 -3.899 1.071 178 H GLY 20 H GLY 20 -16.302 -9.397 -0.227 179 HA2 GLY 20 2HA GLY 20 -14.837 -11.089 -0.977 180 HA3 GLY 20 1HA GLY 20 -15.725 -11.135 -2.502 181 H ALA 21 H ALA 21 -15.451 -9.068 -3.829 182 HA ALA 21 HA ALA 21 -13.545 -7.137 -3.807 183 HB1 ALA 21 1HB ALA 21 -11.580 -8.404 -5.097 184 HB2 ALA 21 2HB ALA 21 -12.217 -9.806 -4.240 185 HB3 ALA 21 3HB ALA 21 -11.629 -8.411 -3.338 186 H LYS 22 H LYS 22 -15.877 -7.463 -5.148 187 HA LYS 22 HA LYS 22 -15.010 -7.206 -7.977 188 HB2 LYS 22 2HB LYS 22 -16.693 -8.778 -8.797 189 HB3 LYS 22 1HB LYS 22 -15.577 -9.596 -7.703 190 HG2 LYS 22 2HG LYS 22 -17.248 -9.166 -5.843 191 HG3 LYS 22 1HG LYS 22 -18.381 -8.633 -7.085 192 HD2 LYS 22 2HD LYS 22 -18.243 -10.813 -8.191 193 HD3 LYS 22 1HD LYS 22 -17.042 -11.353 -7.017 194 HE2 LYS 22 2HE LYS 22 -19.845 -10.461 -6.286 195 HE3 LYS 22 1HE LYS 22 -19.367 -12.146 -6.498 196 HZ1 LYS 22 3HZ LYS 22 -18.261 -10.224 -4.524 197 HZ2 LYS 22 1HZ LYS 22 -17.662 -11.790 -4.777 198 HZ3 LYS 22 2HZ LYS 22 -19.242 -11.570 -4.191 199 H ASP 23 H ASP 23 -17.174 -6.353 -5.433 200 HA ASP 23 HA ASP 23 -18.953 -4.860 -7.329 201 HB2 ASP 23 2HB ASP 23 -19.405 -5.299 -4.366 202 HB3 ASP 23 1HB ASP 23 -20.579 -4.800 -5.584 203 H TRP 24 H TRP 24 -16.434 -3.826 -7.043 204 HA TRP 24 HA TRP 24 -16.087 -1.993 -4.881 205 HB2 TRP 24 2HB TRP 24 -15.053 -1.754 -7.723 206 HB3 TRP 24 1HB TRP 24 -14.417 -0.909 -6.308 207 HD1 TRP 24 HD TRP 24 -14.286 -4.224 -8.097 208 HE1 TRP 24 1HE TRP 24 -12.684 -5.799 -6.824 209 HE3 TRP 24 3HE TRP 24 -13.587 -1.492 -3.883 210 HZ2 TRP 24 2HZ TRP 24 -11.284 -5.867 -4.312 211 HZ3 TRP 24 3HZ TRP 24 -12.116 -2.294 -2.072 212 HH2 TRP 24 HH TRP 24 -10.973 -4.486 -2.268 213 H ILE 25 H ILE 25 -17.908 -1.775 -7.871 214 HA ILE 25 HA ILE 25 -18.284 1.047 -7.905 215 HB ILE 25 HB ILE 25 -20.456 0.392 -9.142 216 HG12 ILE 25 2HG1 ILE 25 -19.206 -2.365 -8.989 217 HG13 ILE 25 1HG1 ILE 25 -20.565 -1.864 -7.984 218 HG21 ILE 25 1HG2 ILE 25 -17.794 -0.709 -10.094 219 HG22 ILE 25 2HG2 ILE 25 -18.378 0.938 -10.331 220 HG23 ILE 25 3HG2 ILE 25 -19.193 -0.409 -11.125 221 HD11 ILE 25 3HD1 ILE 25 -21.897 -1.379 -9.989 222 HD12 ILE 25 1HD1 ILE 25 -21.331 -3.049 -10.019 223 HD13 ILE 25 2HD1 ILE 25 -20.535 -1.831 -11.015 224 H ARG 26 H ARG 26 -19.734 -1.561 -6.092 225 HA ARG 26 HA ARG 26 -21.898 0.079 -5.061 226 HB2 ARG 26 2HB ARG 26 -21.707 -2.562 -5.311 227 HB3 ARG 26 1HB ARG 26 -20.986 -2.462 -3.709 228 HG2 ARG 26 2HG ARG 26 -23.740 -1.483 -4.534 229 HG3 ARG 26 1HG ARG 26 -23.375 -2.829 -3.457 230 HD2 ARG 26 2HD ARG 26 -22.161 -1.104 -1.980 231 HD3 ARG 26 1HD ARG 26 -22.973 0.122 -2.954 232 HE ARG 26 HE ARG 26 -24.964 -0.387 -1.813 233 HH11 ARG 26 1HH2 ARG 26 -22.657 -2.936 -1.567 234 HH12 ARG 26 2HH2 ARG 26 -23.610 -3.872 -0.466 235 HH21 ARG 26 1HH1 ARG 26 -26.222 -1.595 -0.376 236 HH22 ARG 26 2HH1 ARG 26 -25.628 -3.113 0.208 237 H ILE 27 H ILE 27 -18.897 -1.317 -3.733 238 HA ILE 27 HA ILE 27 -19.013 -0.119 -1.194 239 HB ILE 27 HB ILE 27 -16.554 -0.634 -2.884 240 HG12 ILE 27 2HG1 ILE 27 -17.878 -2.384 -0.795 241 HG13 ILE 27 1HG1 ILE 27 -18.113 -2.589 -2.530 242 HG21 ILE 27 1HG2 ILE 27 -15.489 -0.868 -0.586 243 HG22 ILE 27 2HG2 ILE 27 -16.968 -0.183 0.082 244 HG23 ILE 27 3HG2 ILE 27 -15.974 0.771 -1.015 245 HD11 ILE 27 3HD1 ILE 27 -15.557 -2.758 -2.705 246 HD12 ILE 27 1HD1 ILE 27 -16.378 -4.118 -1.942 247 HD13 ILE 27 2HD1 ILE 27 -15.554 -2.917 -0.950 248 H SER 28 H SER 28 -17.963 1.198 -4.289 249 HA SER 28 HA SER 28 -16.880 3.641 -3.151 250 HB2 SER 28 2HB SER 28 -17.667 2.846 -5.959 251 HB3 SER 28 1HB SER 28 -16.982 4.420 -5.563 252 HG SER 28 HG SER 28 -15.100 3.501 -5.115 253 H GLN 29 H GLN 29 -20.042 2.584 -4.252 254 HA GLN 29 HA GLN 29 -21.210 5.202 -4.521 255 HB2 GLN 29 2HB GLN 29 -22.334 2.442 -4.015 256 HB3 GLN 29 1HB GLN 29 -23.394 3.849 -3.989 257 HG2 GLN 29 2HG GLN 29 -21.519 3.439 -6.326 258 HG3 GLN 29 1HG GLN 29 -23.034 2.542 -6.256 259 HE21 GLN 29 1HE2 GLN 29 -21.707 5.872 -6.264 260 HE22 GLN 29 2HE2 GLN 29 -23.122 6.603 -6.854 261 H LEU 30 H LEU 30 -20.966 2.946 -1.776 262 HA LEU 30 HA LEU 30 -22.357 4.723 0.051 263 HB2 LEU 30 2HB LEU 30 -20.361 2.608 0.900 264 HB3 LEU 30 1HB LEU 30 -21.819 3.143 1.736 265 HG LEU 30 HG LEU 30 -21.699 1.552 -0.844 266 HD11 LEU 30 1HD1 LEU 30 -22.749 0.854 1.915 267 HD12 LEU 30 2HD1 LEU 30 -21.223 0.286 1.236 268 HD13 LEU 30 3HD1 LEU 30 -22.751 -0.205 0.504 269 HD21 LEU 30 3HD2 LEU 30 -23.594 3.014 -1.014 270 HD22 LEU 30 1HD2 LEU 30 -24.014 2.780 0.683 271 HD23 LEU 30 2HD2 LEU 30 -24.230 1.464 -0.471 272 H MET 31 H MET 31 -18.970 4.014 -0.702 273 HA MET 31 HA MET 31 -18.101 6.368 0.947 274 HB2 MET 31 2HB MET 31 -16.615 3.929 -0.066 275 HB3 MET 31 1HB MET 31 -15.818 5.308 0.693 276 HG2 MET 31 2HG MET 31 -17.015 4.965 2.753 277 HG3 MET 31 1HG MET 31 -18.066 3.762 2.006 278 HE1 MET 31 3HE MET 31 -13.756 3.350 3.439 279 HE2 MET 31 1HE MET 31 -15.010 4.454 4.018 280 HE3 MET 31 2HE MET 31 -14.302 4.679 2.420 281 H ILE 32 H ILE 32 -19.091 7.488 -1.124 282 HA ILE 32 HA ILE 32 -17.772 7.407 -3.635 283 HB ILE 32 HB ILE 32 -18.574 9.834 -3.806 284 HG12 ILE 32 2HG1 ILE 32 -19.810 9.195 -1.110 285 HG13 ILE 32 1HG1 ILE 32 -18.362 10.185 -1.292 286 HG21 ILE 32 1HG2 ILE 32 -20.603 7.791 -2.852 287 HG22 ILE 32 2HG2 ILE 32 -19.945 7.860 -4.486 288 HG23 ILE 32 3HG2 ILE 32 -20.929 9.190 -3.875 289 HD11 ILE 32 3HD1 ILE 32 -21.018 10.768 -2.624 290 HD12 ILE 32 1HD1 ILE 32 -19.575 11.780 -2.678 291 HD13 ILE 32 2HD1 ILE 32 -20.436 11.553 -1.156 292 H THR 33 H THR 33 -16.585 8.339 -0.621 293 HA THR 33 HA THR 33 -14.907 10.515 -1.066 294 HB THR 33 HB THR 33 -14.325 8.005 0.533 295 HG1 THR 33 1HG THR 33 -15.908 10.191 0.858 296 HG21 THR 33 3HG2 THR 33 -12.976 10.713 0.459 297 HG22 THR 33 1HG2 THR 33 -12.233 9.131 0.222 298 HG23 THR 33 2HG2 THR 33 -12.814 9.601 1.819 299 H ARG 34 H ARG 34 -14.745 7.442 -2.623 300 HA ARG 34 HA ARG 34 -12.412 8.357 -4.151 301 HB2 ARG 34 2HB ARG 34 -11.102 6.282 -3.719 302 HB3 ARG 34 1HB ARG 34 -11.223 7.332 -2.320 303 HG2 ARG 34 2HG ARG 34 -13.115 5.006 -2.772 304 HG3 ARG 34 1HG ARG 34 -11.588 4.819 -1.924 305 HD2 ARG 34 2HD ARG 34 -12.524 6.881 -0.488 306 HD3 ARG 34 1HD ARG 34 -14.072 6.237 -1.032 307 HE ARG 34 HE ARG 34 -12.367 5.038 0.948 308 HH11 ARG 34 1HH2 ARG 34 -14.463 4.391 -1.714 309 HH12 ARG 34 2HH2 ARG 34 -14.912 2.818 -1.147 310 HH21 ARG 34 1HH1 ARG 34 -12.948 2.989 1.703 311 HH22 ARG 34 2HH1 ARG 34 -14.057 2.025 0.786 312 H ASN 35 H ASN 35 -11.828 6.648 -5.848 313 HA ASN 35 HA ASN 35 -14.353 5.686 -7.038 314 HB2 ASN 35 2HB ASN 35 -11.590 6.323 -7.989 315 HB3 ASN 35 1HB ASN 35 -12.447 5.095 -8.909 316 HD21 ASN 35 1HD2 ASN 35 -13.407 6.069 -10.696 317 HD22 ASN 35 2HD2 ASN 35 -14.179 7.580 -10.690 318 HA PRO 36 HA PRO 36 -13.959 1.412 -6.086 319 HB2 PRO 36 2HB PRO 36 -14.181 0.228 -8.643 320 HB3 PRO 36 1HB PRO 36 -15.534 0.710 -7.610 321 HG2 PRO 36 2HG PRO 36 -14.302 2.171 -9.894 322 HG3 PRO 36 1HG PRO 36 -16.010 2.041 -9.427 323 HD2 PRO 36 2HD PRO 36 -14.614 4.276 -8.898 324 HD3 PRO 36 1HD PRO 36 -15.805 3.659 -7.733 325 H ARG 37 H ARG 37 -12.096 2.293 -9.005 326 HA ARG 37 HA ARG 37 -10.193 0.189 -8.850 327 HB2 ARG 37 2HB ARG 37 -9.801 3.011 -9.891 328 HB3 ARG 37 1HB ARG 37 -8.775 1.624 -10.261 329 HG2 ARG 37 2HG ARG 37 -10.655 0.475 -11.326 330 HG3 ARG 37 1HG ARG 37 -11.736 1.801 -10.895 331 HD2 ARG 37 2HD ARG 37 -10.222 3.338 -12.221 332 HD3 ARG 37 1HD ARG 37 -9.382 1.899 -12.797 333 HE ARG 37 HE ARG 37 -11.959 2.831 -13.726 334 HH11 ARG 37 1HH2 ARG 37 -10.032 0.061 -13.014 335 HH12 ARG 37 2HH2 ARG 37 -10.845 -0.962 -14.151 336 HH21 ARG 37 1HH1 ARG 37 -13.030 1.510 -15.215 337 HH22 ARG 37 2HH1 ARG 37 -12.542 -0.141 -15.397 338 H GLN 38 H GLN 38 -10.460 3.197 -7.070 339 HA GLN 38 HA GLN 38 -7.735 3.242 -6.115 340 HB2 GLN 38 2HB GLN 38 -10.213 4.460 -4.878 341 HB3 GLN 38 1HB GLN 38 -8.549 4.884 -4.484 342 HG2 GLN 38 2HG GLN 38 -9.681 5.109 -7.285 343 HG3 GLN 38 1HG GLN 38 -9.707 6.443 -6.133 344 HE21 GLN 38 1HE2 GLN 38 -8.247 7.010 -8.341 345 HE22 GLN 38 2HE2 GLN 38 -6.580 6.882 -8.049 346 H CYS 39 H CYS 39 -10.790 1.993 -4.656 347 HA CYS 39 HA CYS 39 -9.412 1.108 -2.263 348 HB2 CYS 39 2HB CYS 39 -12.026 0.144 -3.437 349 HB3 CYS 39 1HB CYS 39 -11.491 -0.071 -1.776 350 HG CYS 39 HG CYS 39 -11.467 2.708 -1.786 351 H ARG 40 H ARG 40 -10.077 -0.195 -5.430 352 HA ARG 40 HA ARG 40 -9.545 -2.943 -4.917 353 HB2 ARG 40 2HB ARG 40 -10.513 -2.160 -7.030 354 HB3 ARG 40 1HB ARG 40 -9.040 -1.270 -7.392 355 HG2 ARG 40 2HG ARG 40 -9.130 -3.406 -8.633 356 HG3 ARG 40 1HG ARG 40 -7.771 -3.379 -7.518 357 HD2 ARG 40 2HD ARG 40 -8.820 -4.877 -6.025 358 HD3 ARG 40 1HD ARG 40 -10.422 -4.559 -6.685 359 HE ARG 40 HE ARG 40 -8.533 -6.505 -7.696 360 HH11 ARG 40 1HH2 ARG 40 -11.008 -4.246 -8.511 361 HH12 ARG 40 2HH2 ARG 40 -11.490 -5.090 -9.945 362 HH21 ARG 40 1HH1 ARG 40 -9.150 -7.619 -9.564 363 HH22 ARG 40 2HH1 ARG 40 -10.438 -6.998 -10.541 364 H GLU 41 H GLU 41 -7.426 -0.242 -5.836 365 HA GLU 41 HA GLU 41 -4.993 -1.626 -6.094 366 HB2 GLU 41 2HB GLU 41 -5.620 1.153 -5.066 367 HB3 GLU 41 1HB GLU 41 -3.962 0.577 -5.238 368 HG2 GLU 41 2HG GLU 41 -4.220 0.262 -7.601 369 HG3 GLU 41 1HG GLU 41 -5.964 0.500 -7.508 370 H ARG 42 H ARG 42 -6.785 -0.748 -3.175 371 HA ARG 42 HA ARG 42 -4.542 -1.388 -1.390 372 HB2 ARG 42 2HB ARG 42 -7.500 -1.297 -0.738 373 HB3 ARG 42 1HB ARG 42 -6.173 -1.237 0.416 374 HG2 ARG 42 2HG ARG 42 -6.821 0.839 -1.695 375 HG3 ARG 42 1HG ARG 42 -7.024 1.010 0.047 376 HD2 ARG 42 2HD ARG 42 -4.428 0.447 0.100 377 HD3 ARG 42 1HD ARG 42 -4.487 1.023 -1.567 378 HE ARG 42 HE ARG 42 -5.808 3.003 -0.167 379 HH11 ARG 42 1HH2 ARG 42 -2.790 1.360 0.120 380 HH12 ARG 42 2HH2 ARG 42 -1.974 2.708 0.839 381 HH21 ARG 42 1HH1 ARG 42 -4.761 4.771 0.773 382 HH22 ARG 42 2HH1 ARG 42 -3.089 4.640 1.208 383 H TRP 43 H TRP 43 -7.375 -3.095 -2.613 384 HA TRP 43 HA TRP 43 -7.451 -5.413 -1.109 385 HB2 TRP 43 2HB TRP 43 -8.843 -4.820 -3.139 386 HB3 TRP 43 1HB TRP 43 -7.498 -5.347 -4.133 387 HD1 TRP 43 HD TRP 43 -9.090 -7.030 -1.024 388 HE1 TRP 43 1HE TRP 43 -9.725 -9.439 -1.665 389 HE3 TRP 43 3HE TRP 43 -7.757 -7.002 -5.948 390 HZ2 TRP 43 2HZ TRP 43 -9.677 -11.135 -3.966 391 HZ3 TRP 43 3HZ TRP 43 -8.065 -9.026 -7.344 392 HH2 TRP 43 HH TRP 43 -9.023 -11.092 -6.361 393 H ASN 44 H ASN 44 -5.443 -5.090 -4.029 394 HA ASN 44 HA ASN 44 -3.949 -7.501 -3.423 395 HB2 ASN 44 2HB ASN 44 -2.490 -6.729 -5.322 396 HB3 ASN 44 1HB ASN 44 -4.202 -6.844 -5.732 397 HD21 ASN 44 1HD2 ASN 44 -5.291 -4.910 -6.334 398 HD22 ASN 44 2HD2 ASN 44 -4.537 -3.390 -6.385 399 H ASN 45 H ASN 45 -3.304 -4.027 -3.016 400 HA ASN 45 HA ASN 45 -0.600 -4.607 -1.969 401 HB2 ASN 45 2HB ASN 45 -2.142 -2.009 -2.267 402 HB3 ASN 45 1HB ASN 45 -0.471 -2.130 -1.715 403 HD21 ASN 45 1HD2 ASN 45 -2.047 -1.262 -4.400 404 HD22 ASN 45 2HD2 ASN 45 -1.020 -1.885 -5.600 405 H TYR 46 H TYR 46 -3.312 -5.308 -0.518 406 HA TYR 46 HA TYR 46 -2.241 -4.559 2.126 407 HB2 TYR 46 2HB TYR 46 -4.050 -2.815 1.064 408 HB3 TYR 46 1HB TYR 46 -5.157 -3.928 1.861 409 HD1 TYR 46 1HD TYR 46 -3.963 -4.758 4.280 410 HD2 TYR 46 2HD TYR 46 -3.603 -0.915 2.386 411 HE1 TYR 46 1HE TYR 46 -3.443 -3.724 6.471 412 HE2 TYR 46 2HE TYR 46 -3.085 0.114 4.579 413 HH TYR 46 HH TYR 46 -2.021 -0.891 6.874 414 H ILE 47 H ILE 47 -5.223 -5.968 0.640 415 HA ILE 47 HA ILE 47 -4.632 -8.464 2.123 416 HB ILE 47 HB ILE 47 -6.587 -8.599 3.381 417 HG12 ILE 47 2HG1 ILE 47 -8.249 -8.020 1.595 418 HG13 ILE 47 1HG1 ILE 47 -8.598 -7.261 3.128 419 HG21 ILE 47 1HG2 ILE 47 -5.119 -6.873 4.283 420 HG22 ILE 47 2HG2 ILE 47 -6.805 -6.485 4.613 421 HG23 ILE 47 3HG2 ILE 47 -5.943 -5.640 3.333 422 HD11 ILE 47 3HD1 ILE 47 -7.985 -5.137 2.400 423 HD12 ILE 47 1HD1 ILE 47 -8.732 -5.816 0.960 424 HD13 ILE 47 2HD1 ILE 47 -6.985 -5.755 1.099 425 H ASN 48 H ASN 48 -4.800 -10.075 0.821 426 HA ASN 48 HA ASN 48 -6.992 -10.778 -0.801 427 HB2 ASN 48 2HB ASN 48 -6.677 -9.672 -2.778 428 HB3 ASN 48 1HB ASN 48 -5.345 -8.815 -2.053 429 HD21 ASN 48 1HD2 ASN 48 -3.305 -9.157 -2.965 430 HD22 ASN 48 2HD2 ASN 48 -2.929 -10.436 -4.016 431 HA PRO 49 HA PRO 49 -3.452 -13.849 -1.276 432 HB2 PRO 49 2HB PRO 49 -0.857 -13.046 -1.179 433 HB3 PRO 49 1HB PRO 49 -1.891 -12.700 -2.579 434 HG2 PRO 49 2HG PRO 49 -0.845 -10.835 -0.564 435 HG3 PRO 49 1HG PRO 49 -1.546 -10.483 -2.148 436 HD2 PRO 49 2HD PRO 49 -2.870 -10.447 0.499 437 HD3 PRO 49 1HD PRO 49 -3.443 -9.782 -1.040 438 H ALA 50 H ALA 50 -0.867 -12.543 0.599 439 HA ALA 50 HA ALA 50 -1.785 -13.104 3.249 440 HB1 ALA 50 1HB ALA 50 -1.911 -15.423 2.673 441 HB2 ALA 50 2HB ALA 50 -0.391 -15.243 3.547 442 HB3 ALA 50 3HB ALA 50 -0.388 -15.359 1.787 443 H LEU 51 H LEU 51 -0.363 -11.008 2.362 444 HA LEU 51 HA LEU 51 2.527 -11.517 2.897 445 HB2 LEU 51 2HB LEU 51 2.688 -9.015 2.250 446 HB3 LEU 51 1HB LEU 51 2.297 -10.165 0.978 447 HG LEU 51 HG LEU 51 -0.122 -9.621 1.271 448 HD11 LEU 51 1HD1 LEU 51 -0.379 -8.853 3.480 449 HD12 LEU 51 2HD1 LEU 51 -0.511 -7.376 2.538 450 HD13 LEU 51 3HD1 LEU 51 0.999 -7.761 3.362 451 HD21 LEU 51 3HD2 LEU 51 -0.018 -7.520 0.108 452 HD22 LEU 51 1HD2 LEU 51 1.415 -8.434 -0.362 453 HD23 LEU 51 2HD2 LEU 51 1.544 -7.145 0.832 454 H ARG 52 H ARG 52 0.328 -11.507 4.984 455 HA ARG 52 HA ARG 52 0.300 -9.223 6.590 456 HB2 ARG 52 2HB ARG 52 0.571 -12.080 7.579 457 HB3 ARG 52 1HB ARG 52 -0.067 -10.716 8.497 458 HG2 ARG 52 2HG ARG 52 -1.825 -10.447 6.698 459 HG3 ARG 52 1HG ARG 52 -1.262 -11.973 6.015 460 HD2 ARG 52 2HD ARG 52 -3.136 -12.462 7.465 461 HD3 ARG 52 1HD ARG 52 -1.672 -13.040 8.261 462 HE ARG 52 HE ARG 52 -2.269 -10.338 9.073 463 HH11 ARG 52 1HH2 ARG 52 -3.182 -13.645 9.420 464 HH12 ARG 52 2HH2 ARG 52 -3.811 -13.441 11.022 465 HH21 ARG 52 1HH1 ARG 52 -3.085 -10.054 11.162 466 HH22 ARG 52 2HH1 ARG 52 -3.756 -11.408 12.007 467 H THR 53 H THR 53 2.976 -11.252 5.828 468 HA THR 53 HA THR 53 4.821 -9.479 7.194 469 HB THR 53 HB THR 53 4.600 -12.322 8.233 470 HG1 THR 53 1HG THR 53 3.477 -11.528 9.833 471 HG21 THR 53 3HG2 THR 53 6.223 -11.402 9.944 472 HG22 THR 53 1HG2 THR 53 6.380 -9.974 8.922 473 HG23 THR 53 2HG2 THR 53 6.877 -11.553 8.314 474 H ASP 54 H ASP 54 5.395 -9.535 4.835 475 HA ASP 54 HA ASP 54 7.345 -11.743 4.292 476 HB2 ASP 54 2HB ASP 54 5.219 -10.734 2.381 477 HB3 ASP 54 1HB ASP 54 6.566 -11.774 1.914 478 HA PRO 55 HA PRO 55 9.027 -7.396 3.758 479 HB2 PRO 55 2HB PRO 55 11.377 -8.939 4.837 480 HB3 PRO 55 1HB PRO 55 10.845 -7.286 5.221 481 HG2 PRO 55 2HG PRO 55 10.376 -9.235 6.924 482 HG3 PRO 55 1HG PRO 55 9.114 -8.031 6.590 483 HD2 PRO 55 2HD PRO 55 9.333 -10.858 5.558 484 HD3 PRO 55 1HD PRO 55 7.894 -9.975 6.120 485 H TRP 56 H TRP 56 10.079 -6.772 1.964 486 HA TRP 56 HA TRP 56 10.870 -8.792 -0.007 487 HB2 TRP 56 2HB TRP 56 11.606 -6.464 -1.192 488 HB3 TRP 56 1HB TRP 56 9.957 -7.062 -1.207 489 HD1 TRP 56 HD TRP 56 8.274 -6.029 0.686 490 HE1 TRP 56 1HE TRP 56 8.210 -3.649 1.682 491 HE3 TRP 56 3HE TRP 56 13.012 -4.492 -0.421 492 HZ2 TRP 56 2HZ TRP 56 9.946 -1.398 1.965 493 HZ3 TRP 56 3HZ TRP 56 13.772 -2.236 0.217 494 HH2 TRP 56 HH TRP 56 12.256 -0.682 1.413 495 H SER 57 H SER 57 13.058 -7.800 -1.277 496 HA SER 57 HA SER 57 15.225 -7.786 0.804 497 HB2 SER 57 2HB SER 57 14.592 -9.891 -0.911 498 HB3 SER 57 1HB SER 57 15.936 -9.112 -1.733 499 HG SER 57 HG SER 57 16.412 -9.220 0.906 500 HA PRO 58 HA PRO 58 17.502 -4.546 -1.157 501 HB2 PRO 58 2HB PRO 58 19.328 -6.543 -2.483 502 HB3 PRO 58 1HB PRO 58 19.745 -5.053 -1.604 503 HG2 PRO 58 2HG PRO 58 20.009 -7.367 -0.393 504 HG3 PRO 58 1HG PRO 58 19.266 -6.008 0.478 505 HD2 PRO 58 2HD PRO 58 17.936 -8.400 -0.760 506 HD3 PRO 58 1HD PRO 58 17.545 -7.566 0.761 507 H GLU 59 H GLU 59 16.214 -7.003 -3.171 508 HA GLU 59 HA GLU 59 16.804 -5.863 -5.737 509 HB2 GLU 59 2HB GLU 59 14.589 -7.736 -4.844 510 HB3 GLU 59 1HB GLU 59 14.943 -7.337 -6.526 511 HG2 GLU 59 2HG GLU 59 17.153 -8.303 -6.361 512 HG3 GLU 59 1HG GLU 59 16.973 -8.533 -4.621 513 H GLU 60 H GLU 60 13.973 -5.691 -3.542 514 HA GLU 60 HA GLU 60 12.681 -3.733 -5.312 515 HB2 GLU 60 2HB GLU 60 11.975 -4.576 -2.497 516 HB3 GLU 60 1HB GLU 60 10.960 -3.632 -3.576 517 HG2 GLU 60 2HG GLU 60 11.119 -5.585 -5.219 518 HG3 GLU 60 1HG GLU 60 11.824 -6.516 -3.896 519 H ASP 61 H ASP 61 14.894 -3.739 -2.622 520 HA ASP 61 HA ASP 61 14.371 -1.045 -1.724 521 HB2 ASP 61 2HB ASP 61 15.805 -2.994 -0.614 522 HB3 ASP 61 1HB ASP 61 17.122 -2.281 -1.537 523 H MET 62 H MET 62 17.043 -2.355 -3.721 524 HA MET 62 HA MET 62 18.038 0.181 -4.523 525 HB2 MET 62 2HB MET 62 19.200 -1.018 -6.302 526 HB3 MET 62 1HB MET 62 19.257 -1.983 -4.827 527 HG2 MET 62 2HG MET 62 18.627 -3.590 -6.413 528 HG3 MET 62 1HG MET 62 17.053 -3.079 -5.804 529 HE1 MET 62 3HE MET 62 16.843 -3.857 -9.661 530 HE2 MET 62 1HE MET 62 17.053 -4.596 -8.068 531 HE3 MET 62 2HE MET 62 18.461 -4.162 -9.035 532 H LEU 63 H LEU 63 15.408 -1.828 -5.720 533 HA LEU 63 HA LEU 63 14.984 -0.128 -8.091 534 HB2 LEU 63 2HB LEU 63 14.413 -2.652 -7.848 535 HB3 LEU 63 1HB LEU 63 12.997 -2.105 -6.961 536 HG LEU 63 HG LEU 63 12.606 -0.536 -9.048 537 HD11 LEU 63 1HD1 LEU 63 14.683 -0.948 -10.241 538 HD12 LEU 63 2HD1 LEU 63 13.371 -1.669 -11.167 539 HD13 LEU 63 3HD1 LEU 63 14.420 -2.691 -10.189 540 HD21 LEU 63 3HD2 LEU 63 11.384 -2.417 -10.201 541 HD22 LEU 63 1HD2 LEU 63 11.057 -2.308 -8.470 542 HD23 LEU 63 2HD2 LEU 63 12.163 -3.538 -9.083 543 H LEU 64 H LEU 64 13.751 -0.362 -4.811 544 HA LEU 64 HA LEU 64 11.503 1.450 -5.286 545 HB2 LEU 64 2HB LEU 64 11.300 -0.166 -3.498 546 HB3 LEU 64 1HB LEU 64 12.787 0.402 -2.743 547 HG LEU 64 HG LEU 64 10.728 2.532 -3.148 548 HD11 LEU 64 1HD1 LEU 64 9.278 0.605 -2.545 549 HD12 LEU 64 2HD1 LEU 64 9.321 1.825 -1.276 550 HD13 LEU 64 3HD1 LEU 64 10.255 0.341 -1.101 551 HD21 LEU 64 3HD2 LEU 64 12.795 2.931 -1.855 552 HD22 LEU 64 1HD2 LEU 64 12.371 1.622 -0.754 553 HD23 LEU 64 2HD2 LEU 64 11.384 3.080 -0.811 554 H ASP 65 H ASP 65 14.806 1.708 -4.018 555 HA ASP 65 HA ASP 65 14.757 4.310 -2.982 556 HB2 ASP 65 2HB ASP 65 16.747 2.740 -3.066 557 HB3 ASP 65 1HB ASP 65 16.973 3.232 -4.745 558 H GLN 66 H GLN 66 14.716 3.241 -6.330 559 HA GLN 66 HA GLN 66 15.068 5.938 -7.415 560 HB2 GLN 66 2HB GLN 66 14.123 3.387 -8.753 561 HB3 GLN 66 1HB GLN 66 14.586 4.872 -9.584 562 HG2 GLN 66 2HG GLN 66 16.860 4.692 -8.780 563 HG3 GLN 66 1HG GLN 66 16.433 3.333 -7.740 564 HE21 GLN 66 1HE2 GLN 66 18.206 2.200 -9.064 565 HE22 GLN 66 2HE2 GLN 66 17.759 1.500 -10.544 566 H LYS 67 H LYS 67 12.320 3.709 -6.979 567 HA LYS 67 HA LYS 67 10.413 5.566 -8.152 568 HB2 LYS 67 2HB LYS 67 10.074 3.078 -6.457 569 HB3 LYS 67 1HB LYS 67 8.724 3.974 -7.152 570 HG2 LYS 67 2HG LYS 67 9.486 3.550 -9.392 571 HG3 LYS 67 1HG LYS 67 11.022 2.908 -8.812 572 HD2 LYS 67 2HD LYS 67 9.778 1.062 -7.679 573 HD3 LYS 67 1HD LYS 67 8.285 1.672 -8.392 574 HE2 LYS 67 2HE LYS 67 9.073 1.242 -10.620 575 HE3 LYS 67 1HE LYS 67 10.705 0.907 -10.045 576 HZ1 LYS 67 3HZ LYS 67 8.781 -0.730 -8.736 577 HZ2 LYS 67 1HZ LYS 67 10.162 -1.183 -9.610 578 HZ3 LYS 67 2HZ LYS 67 8.694 -0.919 -10.423 579 H TYR 68 H TYR 68 10.962 4.472 -4.795 580 HA TYR 68 HA TYR 68 9.147 6.205 -3.519 581 HB2 TYR 68 2HB TYR 68 10.081 4.578 -2.102 582 HB3 TYR 68 1HB TYR 68 11.715 4.872 -2.683 583 HD1 TYR 68 1HD TYR 68 8.983 6.235 -0.566 584 HD2 TYR 68 2HD TYR 68 13.124 6.523 -1.659 585 HE1 TYR 68 1HE TYR 68 9.377 7.778 1.329 586 HE2 TYR 68 2HE TYR 68 13.521 8.066 0.236 587 HH TYR 68 HH TYR 68 12.314 8.463 2.565 588 H ALA 69 H ALA 69 12.476 6.786 -4.560 589 HA ALA 69 HA ALA 69 12.836 9.341 -3.398 590 HB1 ALA 69 1HB ALA 69 13.913 8.077 -5.928 591 HB2 ALA 69 2HB ALA 69 14.738 8.294 -4.385 592 HB3 ALA 69 3HB ALA 69 14.405 9.690 -5.409 593 H GLU 70 H GLU 70 11.020 8.323 -6.222 594 HA GLU 70 HA GLU 70 10.569 11.110 -7.106 595 HB2 GLU 70 2HB GLU 70 9.723 8.416 -8.194 596 HB3 GLU 70 1HB GLU 70 9.233 9.950 -8.915 597 HG2 GLU 70 2HG GLU 70 12.130 9.208 -8.430 598 HG3 GLU 70 1HG GLU 70 11.295 8.883 -9.950 599 H TYR 71 H TYR 71 8.578 8.327 -5.984 600 HA TYR 71 HA TYR 71 6.234 10.113 -5.783 601 HB2 TYR 71 2HB TYR 71 6.353 7.208 -4.970 602 HB3 TYR 71 1HB TYR 71 4.951 8.147 -5.488 603 HD1 TYR 71 2HD TYR 71 5.009 9.158 -7.872 604 HD2 TYR 71 1HD TYR 71 7.577 5.966 -6.579 605 HE1 TYR 71 2HE TYR 71 5.425 8.534 -10.235 606 HE2 TYR 71 1HE TYR 71 7.993 5.344 -8.945 607 HH TYR 71 HH TYR 71 7.124 5.606 -11.092 608 H GLY 72 H GLY 72 8.792 9.467 -3.796 609 HA2 GLY 72 2HA GLY 72 9.150 9.891 -1.513 610 HA3 GLY 72 1HA GLY 72 7.590 10.718 -1.525 611 HA PRO 73 HA PRO 73 7.177 6.900 1.127 612 HB2 PRO 73 2HB PRO 73 5.328 8.719 2.615 613 HB3 PRO 73 1HB PRO 73 6.645 7.703 3.238 614 HG2 PRO 73 2HG PRO 73 6.892 10.366 3.090 615 HG3 PRO 73 1HG PRO 73 8.267 9.292 2.767 616 HD2 PRO 73 2HD PRO 73 6.519 10.756 0.793 617 HD3 PRO 73 1HD PRO 73 8.281 10.503 0.762 618 H LYS 74 H LYS 74 5.640 7.785 -1.350 619 HA LYS 74 HA LYS 74 2.832 7.245 -0.714 620 HB2 LYS 74 2HB LYS 74 4.414 7.735 -3.237 621 HB3 LYS 74 1HB LYS 74 2.725 7.237 -3.309 622 HG2 LYS 74 2HG LYS 74 2.105 9.183 -1.900 623 HG3 LYS 74 1HG LYS 74 3.793 9.693 -1.882 624 HD2 LYS 74 2HD LYS 74 3.752 9.872 -4.355 625 HD3 LYS 74 1HD LYS 74 2.049 9.410 -4.347 626 HE2 LYS 74 2HE LYS 74 3.143 11.806 -2.850 627 HE3 LYS 74 1HE LYS 74 2.438 11.900 -4.463 628 HZ1 LYS 74 3HZ LYS 74 0.565 10.520 -3.158 629 HZ2 LYS 74 1HZ LYS 74 0.548 12.209 -3.321 630 HZ3 LYS 74 2HZ LYS 74 1.151 11.500 -1.899 631 H TRP 75 H TRP 75 3.672 5.097 0.312 632 HA TRP 75 HA TRP 75 4.570 2.951 -1.319 633 HB2 TRP 75 2HB TRP 75 2.724 2.512 1.020 634 HB3 TRP 75 1HB TRP 75 4.126 1.578 0.523 635 HD1 TRP 75 HD TRP 75 3.153 3.772 3.141 636 HE1 TRP 75 1HE TRP 75 5.160 4.934 4.255 637 HE3 TRP 75 3HE TRP 75 6.743 2.979 -0.415 638 HZ2 TRP 75 2HZ TRP 75 7.903 5.487 3.711 639 HZ3 TRP 75 3HZ TRP 75 9.037 3.847 -0.088 640 HH2 TRP 75 HH TRP 75 9.623 5.097 1.968 641 H ASN 76 H ASN 76 1.692 4.631 -1.437 642 HA ASN 76 HA ASN 76 -0.087 2.401 -2.074 643 HB2 ASN 76 2HB ASN 76 -1.694 4.155 -2.682 644 HB3 ASN 76 1HB ASN 76 -0.936 4.530 -1.133 645 HD21 ASN 76 1HD2 ASN 76 0.349 6.437 -0.996 646 HD22 ASN 76 2HD2 ASN 76 0.585 7.496 -2.302 647 H LYS 77 H LYS 77 1.880 4.701 -3.887 648 HA LYS 77 HA LYS 77 0.838 3.705 -6.478 649 HB2 LYS 77 2HB LYS 77 1.449 6.125 -6.044 650 HB3 LYS 77 1HB LYS 77 3.133 5.613 -5.957 651 HG2 LYS 77 2HG LYS 77 3.106 4.844 -8.235 652 HG3 LYS 77 1HG LYS 77 1.356 5.031 -8.343 653 HD2 LYS 77 2HD LYS 77 1.517 7.424 -8.220 654 HD3 LYS 77 1HD LYS 77 3.228 7.347 -7.805 655 HE2 LYS 77 2HE LYS 77 3.767 6.441 -10.001 656 HE3 LYS 77 1HE LYS 77 2.057 6.362 -10.422 657 HZ1 LYS 77 3HZ LYS 77 1.963 8.554 -10.814 658 HZ2 LYS 77 1HZ LYS 77 3.644 8.427 -11.005 659 HZ3 LYS 77 2HZ LYS 77 2.996 8.951 -9.524 660 H ILE 78 H ILE 78 3.615 3.438 -4.406 661 HA ILE 78 HA ILE 78 5.296 2.076 -6.334 662 HB ILE 78 HB ILE 78 5.549 2.199 -3.317 663 HG12 ILE 78 2HG1 ILE 78 6.838 4.112 -5.288 664 HG13 ILE 78 1HG1 ILE 78 5.254 4.462 -4.617 665 HG21 ILE 78 1HG2 ILE 78 7.075 0.599 -4.274 666 HG22 ILE 78 2HG2 ILE 78 8.003 2.056 -3.919 667 HG23 ILE 78 3HG2 ILE 78 7.508 1.709 -5.575 668 HD11 ILE 78 3HD1 ILE 78 7.811 4.073 -3.066 669 HD12 ILE 78 1HD1 ILE 78 6.219 4.248 -2.336 670 HD13 ILE 78 2HD1 ILE 78 6.899 5.568 -3.272 671 H SER 79 H SER 79 3.442 0.984 -3.460 672 HA SER 79 HA SER 79 4.023 -1.735 -3.555 673 HB2 SER 79 2HB SER 79 1.816 -2.141 -2.572 674 HB3 SER 79 1HB SER 79 2.522 -0.696 -1.866 675 HG SER 79 HG SER 79 0.768 0.245 -2.524 676 H LYS 80 H LYS 80 2.179 0.081 -5.902 677 HA LYS 80 HA LYS 80 0.900 -2.283 -7.034 678 HB2 LYS 80 2HB LYS 80 -0.145 -0.832 -8.516 679 HB3 LYS 80 1HB LYS 80 0.215 0.263 -7.191 680 HG2 LYS 80 2HG LYS 80 1.059 1.565 -8.914 681 HG3 LYS 80 1HG LYS 80 2.497 0.605 -8.613 682 HD2 LYS 80 2HD LYS 80 2.281 0.359 -10.931 683 HD3 LYS 80 1HD LYS 80 1.409 -1.064 -10.368 684 HE2 LYS 80 2HE LYS 80 -0.703 0.425 -10.432 685 HE3 LYS 80 1HE LYS 80 0.273 1.550 -11.375 686 HZ1 LYS 80 3HZ LYS 80 0.566 -1.110 -12.328 687 HZ2 LYS 80 1HZ LYS 80 0.065 0.279 -13.162 688 HZ3 LYS 80 2HZ LYS 80 -1.071 -0.656 -12.313 689 H PHE 81 H PHE 81 3.956 -0.699 -7.348 690 HA PHE 81 HA PHE 81 4.612 -1.919 -9.920 691 HB2 PHE 81 2HB PHE 81 6.079 -0.314 -7.835 692 HB3 PHE 81 1HB PHE 81 7.034 -1.245 -8.983 693 HD1 PHE 81 2HD PHE 81 4.691 1.566 -8.571 694 HD2 PHE 81 1HD PHE 81 7.027 -0.703 -11.370 695 HE1 PHE 81 2HE PHE 81 4.362 3.334 -10.277 696 HE2 PHE 81 1HE PHE 81 6.698 1.065 -13.077 697 HZ PHE 81 HZ PHE 81 5.365 3.084 -12.530 698 H LEU 82 H LEU 82 4.323 -2.886 -6.715 699 HA LEU 82 HA LEU 82 6.209 -5.210 -7.041 700 HB2 LEU 82 2HB LEU 82 4.684 -4.394 -4.555 701 HB3 LEU 82 1HB LEU 82 6.078 -5.468 -4.663 702 HG LEU 82 HG LEU 82 6.118 -2.509 -5.358 703 HD11 LEU 82 1HD1 LEU 82 7.227 -2.142 -3.281 704 HD12 LEU 82 2HD1 LEU 82 7.377 -3.872 -2.974 705 HD13 LEU 82 3HD1 LEU 82 5.797 -3.100 -2.911 706 HD21 LEU 82 3HD2 LEU 82 8.658 -2.980 -5.177 707 HD22 LEU 82 1HD2 LEU 82 7.835 -3.572 -6.617 708 HD23 LEU 82 2HD2 LEU 82 8.225 -4.685 -5.307 709 H LYS 83 H LYS 83 2.882 -4.558 -5.899 710 HA LYS 83 HA LYS 83 0.942 -5.834 -6.019 711 HB2 LYS 83 2HB LYS 83 2.283 -7.407 -8.230 712 HB3 LYS 83 1HB LYS 83 0.566 -7.078 -8.003 713 HG2 LYS 83 2HG LYS 83 1.130 -4.606 -8.282 714 HG3 LYS 83 1HG LYS 83 2.728 -5.125 -8.813 715 HD2 LYS 83 2HD LYS 83 1.711 -6.450 -10.619 716 HD3 LYS 83 1HD LYS 83 0.105 -5.945 -10.087 717 HE2 LYS 83 2HE LYS 83 0.717 -3.587 -10.479 718 HE3 LYS 83 1HE LYS 83 2.314 -4.097 -11.029 719 HZ1 LYS 83 3HZ LYS 83 0.258 -3.735 -12.666 720 HZ2 LYS 83 1HZ LYS 83 0.042 -5.379 -12.312 721 HZ3 LYS 83 2HZ LYS 83 1.509 -4.841 -12.981 722 H ASN 84 H ASN 84 3.757 -6.791 -4.917 723 HA ASN 84 HA ASN 84 2.824 -9.531 -4.162 724 HB2 ASN 84 2HB ASN 84 5.609 -8.457 -4.652 725 HB3 ASN 84 1HB ASN 84 5.297 -10.003 -3.859 726 HD21 ASN 84 1HD2 ASN 84 3.759 -8.412 -6.713 727 HD22 ASN 84 2HD2 ASN 84 3.998 -9.728 -7.759 728 H ARG 85 H ARG 85 3.885 -6.425 -3.172 729 HA ARG 85 HA ARG 85 3.938 -7.274 -0.282 730 HB2 ARG 85 2HB ARG 85 5.200 -4.747 -1.365 731 HB3 ARG 85 1HB ARG 85 5.519 -5.567 0.160 732 HG2 ARG 85 2HG ARG 85 6.204 -6.670 -2.587 733 HG3 ARG 85 1HG ARG 85 7.347 -5.925 -1.477 734 HD2 ARG 85 2HD ARG 85 6.650 -7.681 0.235 735 HD3 ARG 85 1HD ARG 85 5.808 -8.496 -1.078 736 HE ARG 85 HE ARG 85 8.510 -7.963 -1.867 737 HH11 ARG 85 1HH2 ARG 85 6.561 -9.902 0.215 738 HH12 ARG 85 2HH2 ARG 85 7.659 -11.242 0.214 739 HH21 ARG 85 1HH1 ARG 85 9.953 -9.703 -1.882 740 HH22 ARG 85 2HH1 ARG 85 9.578 -11.129 -0.973 741 H SER 86 H SER 86 3.333 -5.243 1.107 742 HA SER 86 HA SER 86 0.991 -3.843 -0.138 743 HB2 SER 86 2HB SER 86 0.048 -4.029 2.297 744 HB3 SER 86 1HB SER 86 -0.051 -5.442 1.251 745 HG SER 86 HG SER 86 2.332 -5.379 2.477 746 H ASP 87 H ASP 87 0.516 -1.807 0.863 747 HA ASP 87 HA ASP 87 2.789 -0.190 1.334 748 HB2 ASP 87 2HB ASP 87 1.062 1.451 2.309 749 HB3 ASP 87 1HB ASP 87 0.786 0.918 0.650 750 H ASN 88 H ASN 88 0.808 -2.098 3.450 751 HA ASN 88 HA ASN 88 1.757 -0.970 5.939 752 HB2 ASN 88 2HB ASN 88 -0.333 -2.384 5.646 753 HB3 ASN 88 1HB ASN 88 0.726 -3.784 5.474 754 HD21 ASN 88 1HD2 ASN 88 -0.037 -1.108 7.756 755 HD22 ASN 88 2HD2 ASN 88 0.402 -1.971 9.150 756 H ASN 89 H ASN 89 2.899 -3.415 3.690 757 HA ASN 89 HA ASN 89 4.967 -4.422 5.518 758 HB2 ASN 89 2HB ASN 89 3.819 -5.778 3.689 759 HB3 ASN 89 1HB ASN 89 4.723 -4.818 2.518 760 HD21 ASN 89 1HD2 ASN 89 5.387 -7.410 2.336 761 HD22 ASN 89 2HD2 ASN 89 6.848 -7.768 3.121 762 H ILE 90 H ILE 90 4.800 -2.509 2.537 763 HA ILE 90 HA ILE 90 7.563 -1.887 2.335 764 HB ILE 90 HB ILE 90 5.168 -0.245 1.507 765 HG12 ILE 90 2HG1 ILE 90 6.769 -2.247 -0.098 766 HG13 ILE 90 1HG1 ILE 90 5.241 -2.629 0.677 767 HG21 ILE 90 1HG2 ILE 90 6.731 0.628 -0.239 768 HG22 ILE 90 2HG2 ILE 90 8.045 -0.238 0.554 769 HG23 ILE 90 3HG2 ILE 90 7.218 1.070 1.397 770 HD11 ILE 90 3HD1 ILE 90 4.387 -2.039 -1.325 771 HD12 ILE 90 1HD1 ILE 90 5.776 -1.051 -1.760 772 HD13 ILE 90 2HD1 ILE 90 4.524 -0.397 -0.709 773 H ARG 91 H ARG 91 4.918 0.165 3.593 774 HA ARG 91 HA ARG 91 6.452 2.269 4.640 775 HB2 ARG 91 2HB ARG 91 3.916 2.071 4.595 776 HB3 ARG 91 1HB ARG 91 4.043 1.050 6.018 777 HG2 ARG 91 2HG ARG 91 5.365 2.963 7.102 778 HG3 ARG 91 1HG ARG 91 4.827 3.959 5.751 779 HD2 ARG 91 2HD ARG 91 2.453 3.266 6.330 780 HD3 ARG 91 1HD ARG 91 3.106 2.558 7.807 781 HE ARG 91 HE ARG 91 4.035 5.237 7.651 782 HH11 ARG 91 1HH2 ARG 91 1.126 3.413 7.978 783 HH12 ARG 91 2HH2 ARG 91 0.310 4.631 8.899 784 HH21 ARG 91 1HH1 ARG 91 2.984 6.836 8.853 785 HH22 ARG 91 2HH1 ARG 91 1.362 6.569 9.396 786 H ASN 92 H ASN 92 5.851 -0.927 5.908 787 HA ASN 92 HA ASN 92 7.082 -0.430 8.501 788 HB2 ASN 92 2HB ASN 92 5.376 -2.175 8.232 789 HB3 ASN 92 1HB ASN 92 6.414 -3.030 7.092 790 HD21 ASN 92 1HD2 ASN 92 8.151 -1.490 9.645 791 HD22 ASN 92 2HD2 ASN 92 8.415 -2.873 10.595 792 H ARG 93 H ARG 93 8.148 -2.026 5.463 793 HA ARG 93 HA ARG 93 10.735 -2.728 6.569 794 HB2 ARG 93 2HB ARG 93 9.465 -2.770 3.863 795 HB3 ARG 93 1HB ARG 93 11.226 -2.718 3.895 796 HG2 ARG 93 2HG ARG 93 10.217 -5.044 3.829 797 HG3 ARG 93 1HG ARG 93 11.370 -4.758 5.127 798 HD2 ARG 93 2HD ARG 93 8.506 -4.216 5.783 799 HD3 ARG 93 1HD ARG 93 8.951 -5.899 5.565 800 HE ARG 93 HE ARG 93 10.839 -4.561 7.287 801 HH11 ARG 93 1HH2 ARG 93 7.678 -5.921 7.070 802 HH12 ARG 93 2HH2 ARG 93 7.589 -6.322 8.752 803 HH21 ARG 93 1HH1 ARG 93 10.742 -5.077 9.485 804 HH22 ARG 93 2HH1 ARG 93 9.325 -5.844 10.119 805 H TRP 94 H TRP 94 9.600 -0.038 4.520 806 HA TRP 94 HA TRP 94 12.090 1.256 4.174 807 HB2 TRP 94 2HB TRP 94 9.990 1.935 3.024 808 HB3 TRP 94 1HB TRP 94 9.378 2.564 4.554 809 HD1 TRP 94 HD TRP 94 9.962 4.984 5.103 810 HE1 TRP 94 1HE TRP 94 11.616 6.731 4.175 811 HE3 TRP 94 3HE TRP 94 12.555 2.079 1.799 812 HZ2 TRP 94 2HZ TRP 94 13.754 6.877 2.282 813 HZ3 TRP 94 3HZ TRP 94 14.394 3.047 0.448 814 HH2 TRP 94 HH TRP 94 14.996 5.440 0.684 815 H MET 95 H MET 95 9.832 1.293 6.895 816 HA MET 95 HA MET 95 11.208 3.380 8.350 817 HB2 MET 95 2HB MET 95 8.830 2.686 8.767 818 HB3 MET 95 1HB MET 95 9.438 1.181 9.457 819 HG2 MET 95 2HG MET 95 10.647 2.403 11.180 820 HG3 MET 95 1HG MET 95 10.195 3.943 10.450 821 HE1 MET 95 3HE MET 95 8.819 5.233 11.975 822 HE2 MET 95 1HE MET 95 9.616 4.185 13.157 823 HE3 MET 95 2HE MET 95 7.893 4.524 13.296 824 H MET 96 H MET 96 11.477 -0.141 8.201 825 HA MET 96 HA MET 96 13.382 -0.272 10.424 826 HB2 MET 96 2HB MET 96 11.861 -2.172 9.826 827 HB3 MET 96 1HB MET 96 12.740 -2.351 8.308 828 HG2 MET 96 2HG MET 96 14.810 -2.813 9.511 829 HG3 MET 96 1HG MET 96 14.011 -2.518 11.056 830 HE1 MET 96 3HE MET 96 14.817 -6.315 10.901 831 HE2 MET 96 1HE MET 96 15.499 -4.699 11.128 832 HE3 MET 96 2HE MET 96 15.510 -5.448 9.534 833 H ILE 97 H ILE 97 13.459 -0.033 6.924 834 HA ILE 97 HA ILE 97 16.355 -0.499 6.781 835 HB ILE 97 HB ILE 97 14.358 0.435 4.695 836 HG12 ILE 97 2HG1 ILE 97 15.729 -2.256 4.982 837 HG13 ILE 97 1HG1 ILE 97 14.128 -1.923 5.641 838 HG21 ILE 97 1HG2 ILE 97 16.537 1.210 4.038 839 HG22 ILE 97 2HG2 ILE 97 16.232 -0.261 3.115 840 HG23 ILE 97 3HG2 ILE 97 17.292 -0.307 4.524 841 HD11 ILE 97 3HD1 ILE 97 14.088 -2.979 3.355 842 HD12 ILE 97 1HD1 ILE 97 14.863 -1.524 2.729 843 HD13 ILE 97 2HD1 ILE 97 13.252 -1.429 3.440 844 H ALA 98 H ALA 98 14.094 2.198 6.840 845 HA ALA 98 HA ALA 98 16.092 4.200 6.157 846 HB1 ALA 98 1HB ALA 98 13.700 4.634 5.780 847 HB2 ALA 98 2HB ALA 98 14.365 5.818 6.903 848 HB3 ALA 98 3HB ALA 98 13.388 4.481 7.509 849 H ARG 99 H ARG 99 15.276 2.429 8.969 850 HA ARG 99 HA ARG 99 16.179 4.380 10.918 851 HB2 ARG 99 2HB ARG 99 14.631 2.395 11.381 852 HB3 ARG 99 1HB ARG 99 16.051 1.366 11.247 853 HG2 ARG 99 2HG ARG 99 15.976 1.753 13.560 854 HG3 ARG 99 1HG ARG 99 17.093 3.006 13.034 855 HD2 ARG 99 2HD ARG 99 15.308 4.672 13.067 856 HD3 ARG 99 1HD ARG 99 14.111 3.429 13.428 857 HE ARG 99 HE ARG 99 16.196 3.433 15.418 858 HH11 ARG 99 1HH2 ARG 99 13.415 5.110 14.257 859 HH12 ARG 99 2HH2 ARG 99 13.006 5.773 15.804 860 HH21 ARG 99 1HH1 ARG 99 15.676 4.289 17.443 861 HH22 ARG 99 2HH1 ARG 99 14.286 5.308 17.607 862 H HIS 100 H HIS 100 17.609 2.128 8.776 863 HA HIS 100 HA HIS 100 20.167 1.937 10.199 864 HB2 HIS 100 2HB HIS 100 19.143 0.999 7.509 865 HB3 HIS 100 1HB HIS 100 20.831 0.809 7.982 866 HD1 HIS 100 1HD HIS 100 17.513 -0.714 8.373 867 HD2 HIS 100 2HD HIS 100 21.143 -0.837 10.424 868 HE1 HIS 100 1HE HIS 100 17.405 -2.731 9.905 869 HE2 HIS 100 2HE HIS 100 19.609 -2.814 11.157 870 H ARG 101 H ARG 101 18.720 3.780 7.572 871 HA ARG 101 HA ARG 101 21.267 5.004 6.785 872 HB2 ARG 101 2HB ARG 101 19.461 4.657 5.127 873 HB3 ARG 101 1HB ARG 101 18.413 5.733 6.052 874 HG2 ARG 101 2HG ARG 101 19.861 7.615 5.655 875 HG3 ARG 101 1HG ARG 101 21.106 6.580 4.957 876 HD2 ARG 101 2HD ARG 101 19.729 6.075 3.049 877 HD3 ARG 101 1HD ARG 101 18.326 6.845 3.786 878 HE ARG 101 HE ARG 101 20.455 8.208 2.363 879 HH11 ARG 101 1HH2 ARG 101 18.162 8.389 4.934 880 HH12 ARG 101 2HH2 ARG 101 18.047 10.116 4.887 881 HH21 ARG 101 1HH1 ARG 101 20.317 10.463 2.288 882 HH22 ARG 101 2HH1 ARG 101 19.266 11.290 3.389 883 H ALA 102 H ALA 102 18.759 5.576 9.086 884 HA ALA 102 HA ALA 102 19.226 8.434 9.385 885 HB1 ALA 102 1HB ALA 102 17.890 8.131 11.493 886 HB2 ALA 102 2HB ALA 102 17.858 6.398 11.168 887 HB3 ALA 102 3HB ALA 102 17.078 7.520 10.052 888 H LYS 103 H LYS 103 20.490 5.487 10.856 889 HA LYS 103 HA LYS 103 21.875 6.854 13.009 890 HB2 LYS 103 2HB LYS 103 22.082 4.088 11.797 891 HB3 LYS 103 1HB LYS 103 23.107 4.612 13.132 892 HG2 LYS 103 2HG LYS 103 21.062 5.148 14.452 893 HG3 LYS 103 1HG LYS 103 20.077 4.523 13.130 894 HD2 LYS 103 2HD LYS 103 21.027 2.312 13.379 895 HD3 LYS 103 1HD LYS 103 22.202 2.901 14.556 896 HE2 LYS 103 2HE LYS 103 19.206 3.065 14.971 897 HE3 LYS 103 1HE LYS 103 20.198 1.735 15.570 898 HZ1 LYS 103 3HZ LYS 103 21.395 4.191 16.254 899 HZ2 LYS 103 1HZ LYS 103 20.818 2.971 17.280 900 HZ3 LYS 103 2HZ LYS 103 19.773 4.206 16.762 901 H HIS 104 H HIS 104 22.306 7.524 9.998 902 HA HIS 104 HA HIS 104 24.102 8.127 8.615 903 HB2 HIS 104 2HB HIS 104 25.304 8.462 11.376 904 HB3 HIS 104 1HB HIS 104 26.090 9.013 9.896 905 HD1 HIS 104 1HD HIS 104 25.761 11.455 11.078 906 HD2 HIS 104 2HD HIS 104 22.295 9.562 9.736 907 HE1 HIS 104 1HE HIS 104 23.970 13.244 10.950 908 HE2 HIS 104 2HE HIS 104 21.857 12.103 10.136 909 H GLN 105 H GLN 105 23.815 5.253 9.501 910 HA GLN 105 HA GLN 105 26.294 4.011 9.985 911 HB2 GLN 105 2HB GLN 105 24.133 2.809 9.961 912 HB3 GLN 105 1HB GLN 105 24.043 3.018 8.211 913 HG2 GLN 105 2HG GLN 105 26.008 1.666 7.870 914 HG3 GLN 105 1HG GLN 105 26.343 1.623 9.601 915 HE21 GLN 105 1HE2 GLN 105 23.604 0.812 7.381 916 HE22 GLN 105 2HE2 GLN 105 23.173 -0.610 8.203 917 H LYS 106 H LYS 106 25.223 5.712 7.187 918 HA LYS 106 HA LYS 106 26.681 4.465 5.119 919 HB2 LYS 106 2HB LYS 106 26.078 7.394 5.606 920 HB3 LYS 106 1HB LYS 106 26.794 6.785 4.113 921 HG2 LYS 106 2HG LYS 106 24.863 5.465 3.610 922 HG3 LYS 106 1HG LYS 106 24.197 5.699 5.225 923 HD2 LYS 106 2HD LYS 106 23.020 7.152 3.661 924 HD3 LYS 106 1HD LYS 106 23.989 8.139 4.752 925 HE2 LYS 106 2HE LYS 106 25.629 8.566 3.091 926 HE3 LYS 106 1HE LYS 106 25.054 7.251 2.063 927 HZ1 LYS 106 3HZ LYS 106 24.118 9.956 2.271 928 HZ2 LYS 106 1HZ LYS 106 22.865 8.817 2.365 929 HZ3 LYS 106 2HZ LYS 106 23.904 8.825 1.022 930 H SER 107 H SER 107 27.847 5.993 7.938 931 HA SER 107 HA SER 107 30.307 7.095 7.044 932 HB2 SER 107 2HB SER 107 29.363 7.330 9.359 933 HB3 SER 107 1HB SER 107 29.811 5.656 9.667 934 HG SER 107 HG SER 107 31.800 7.244 8.595
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