NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21928 | 2ihx | 15113 | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* C 160 1H5* C 160 27.736 23.623 -10.751 2 2H5* C 160 2H5* C 160 26.185 23.130 -10.073 3 H4* C 160 H4* C 160 27.718 22.526 -8.439 4 H3* C 160 H3* C 160 26.432 25.150 -7.744 5 H2* C 160 H2* C 160 27.631 25.200 -5.687 6 2HO* C 160 2HO* C 160 28.857 23.247 -5.167 7 H1* C 160 H1* C 160 30.088 24.671 -6.888 8 1H4 C 160 1H4 C 160 29.608 31.053 -6.633 9 2H4 C 160 2H4 C 160 28.921 31.023 -8.242 10 H5 C 160 H5 C 160 28.363 29.040 -9.397 11 H6 C 160 H6 C 160 28.324 26.573 -9.292 12 1H5* U 161 1H5* U 161 23.993 22.480 -4.919 13 2H5* U 161 2H5* U 161 22.390 23.215 -4.899 14 H4* U 161 H4* U 161 23.672 23.424 -2.768 15 H3* U 161 H3* U 161 22.634 25.859 -4.199 16 H2* U 161 H2* U 161 23.345 27.213 -2.379 17 2HO* U 161 2HO* U 161 24.521 25.354 -0.803 18 H1* U 161 H1* U 161 25.891 26.035 -2.283 19 H3 U 161 H3 U 161 26.182 30.393 -3.799 20 H5 U 161 H5 U 161 25.650 28.010 -7.201 21 H6 U 161 H6 U 161 25.165 26.138 -5.693 22 1H5* G 162 1H5* G 162 21.277 25.994 -0.184 23 2H5* G 162 2H5* G 162 19.514 26.047 -0.168 24 H4* G 162 H4* G 162 20.141 27.678 1.365 25 H3* G 162 H3* G 162 19.392 28.879 -1.269 26 H2* G 162 H2* G 162 19.837 31.075 -0.459 27 2HO* G 162 2HO* G 162 20.824 30.509 1.994 28 H1* G 162 H1* G 162 22.366 30.393 0.505 29 H8 G 162 H8 G 162 21.838 28.511 -2.644 30 H1 G 162 H1 G 162 23.525 34.679 -3.641 31 1H2 G 162 1H2 G 162 23.416 35.719 -1.864 32 2H2 G 162 2H2 G 162 22.939 35.023 -0.331 33 1H5* C 163 1H5* C 163 17.460 31.006 1.680 34 2H5* C 163 2H5* C 163 15.745 31.315 1.405 35 H4* C 163 H4* C 163 16.745 33.412 1.795 36 H3* C 163 H3* C 163 16.101 32.940 -1.099 37 H2* C 163 H2* C 163 16.843 35.132 -1.638 38 2HO* C 163 2HO* C 163 17.709 36.039 0.729 39 H1* C 163 H1* C 163 19.229 34.851 -0.169 40 1H4 C 163 1H4 C 163 20.881 33.496 -6.187 41 2H4 C 163 2H4 C 163 20.272 31.869 -5.975 42 H5 C 163 H5 C 163 19.144 31.128 -4.037 43 H6 C 163 H6 C 163 18.316 31.772 -1.802 44 1H5* C 164 1H5* C 164 14.366 36.563 0.009 45 2H5* C 164 2H5* C 164 12.730 36.815 -0.599 46 H4* C 164 H4* C 164 14.051 38.652 -1.315 47 H3* C 164 H3* C 164 13.320 36.724 -3.492 48 H2* C 164 H2* C 164 14.424 38.065 -5.105 49 2HO* C 164 2HO* C 164 15.009 40.203 -4.471 50 H1* C 164 H1* C 164 16.707 38.405 -3.449 51 1H4 C 164 1H4 C 164 18.326 33.896 -7.684 52 2H4 C 164 2H4 C 164 17.566 32.697 -6.661 53 H5 C 164 H5 C 164 16.335 33.219 -4.714 54 H6 C 164 H6 C 164 15.521 35.038 -3.255 55 1H5* C 165 1H5* C 165 11.650 40.652 -4.830 56 2H5* C 165 2H5* C 165 10.226 40.316 -5.815 57 H4* C 165 H4* C 165 12.000 41.543 -7.022 58 H3* C 165 H3* C 165 11.107 38.850 -8.030 59 H2* C 165 H2* C 165 12.469 39.139 -9.952 60 2HO* C 165 2HO* C 165 13.615 41.397 -9.856 61 H1* C 165 H1* C 165 14.690 39.999 -8.446 62 1H4 C 165 1H4 C 165 15.653 33.770 -9.544 63 2H4 C 165 2H4 C 165 14.746 33.407 -8.093 64 H5 C 165 H5 C 165 13.607 35.032 -6.812 65 H6 C 165 H6 C 165 13.053 37.429 -6.606 66 1H5* U 166 1H5* U 166 10.390 41.633 -11.273 67 2H5* U 166 2H5* U 166 8.816 41.297 -11.993 68 H4* U 166 H4* U 166 10.492 41.285 -13.710 69 H3* U 166 H3* U 166 9.286 38.609 -13.058 70 H2* U 166 H2* U 166 10.499 37.634 -14.859 71 2HO* U 166 2HO* U 166 11.220 39.012 -16.439 72 H1* U 166 H1* U 166 12.924 38.788 -14.074 73 H3 U 166 H3 U 166 13.117 34.272 -13.237 74 H5 U 166 H5 U 166 11.353 35.965 -9.837 75 H6 U 166 H6 U 166 11.207 38.072 -11.084 76 1H5* C 167 1H5* C 167 8.667 38.973 -17.352 77 2H5* C 167 2H5* C 167 6.914 38.946 -17.541 78 H4* C 167 H4* C 167 7.661 37.433 -19.133 79 H3* C 167 H3* C 167 6.702 36.025 -16.675 80 H2* C 167 H2* C 167 7.234 33.904 -17.604 81 2HO* C 167 2HO* C 167 6.699 34.216 -19.728 82 H1* C 167 H1* C 167 9.807 34.718 -18.398 83 1H4 C 167 1H4 C 167 10.594 31.775 -12.772 84 2H4 C 167 2H4 C 167 10.304 33.302 -11.969 85 H5 C 167 H5 C 167 9.642 35.273 -13.089 86 H6 C 167 H6 C 167 9.091 36.275 -15.277 87 1H5* A 168 1H5* A 168 2.841 34.688 -16.104 88 2H5* A 168 2H5* A 168 1.520 35.345 -17.071 89 H4* A 168 H4* A 168 1.327 37.225 -15.799 90 H3* A 168 H3* A 168 4.256 37.216 -15.682 91 H2* A 168 H2* A 168 4.459 37.900 -13.442 92 2HO* A 168 2HO* A 168 1.654 38.116 -13.140 93 H1* A 168 H1* A 168 2.714 36.144 -12.332 94 H8 A 168 H8 A 168 5.688 36.486 -14.437 95 1H6 A 168 1H6 A 168 7.189 30.606 -12.978 96 2H6 A 168 2H6 A 168 7.781 32.080 -13.712 97 H2 A 168 H2 A 168 3.015 31.347 -11.646 98 1H5* U 169 1H5* U 169 2.505 37.240 -19.598 99 2H5* U 169 2H5* U 169 3.424 38.718 -19.879 100 H4* U 169 H4* U 169 1.594 39.881 -20.662 101 H3* U 169 H3* U 169 -0.140 38.012 -19.043 102 H2* U 169 H2* U 169 -1.965 38.577 -20.436 103 2HO* U 169 2HO* U 169 -1.876 40.651 -21.063 104 H1* U 169 H1* U 169 -0.324 38.451 -22.787 105 H3 U 169 H3 U 169 -2.013 34.548 -24.175 106 H5 U 169 H5 U 169 -2.521 34.323 -20.025 107 H6 U 169 H6 U 169 -1.361 36.477 -19.865 108 1H5* C 170 1H5* C 170 0.768 42.945 -17.010 109 2H5* C 170 2H5* C 170 1.421 41.324 -17.244 110 H4* C 170 H4* C 170 0.301 41.451 -14.622 111 H3* C 170 H3* C 170 1.936 43.874 -15.351 112 H2* C 170 H2* C 170 2.963 43.812 -13.235 113 2HO* C 170 2HO* C 170 1.704 43.052 -11.613 114 H1* C 170 H1* C 170 3.083 40.918 -13.303 115 1H4 C 170 1H4 C 170 9.169 42.732 -13.887 116 2H4 C 170 2H4 C 170 8.851 43.283 -15.516 117 H5 C 170 H5 C 170 6.707 43.291 -16.507 118 H6 C 170 H6 C 170 4.317 42.768 -16.174 119 1H5* C 171 1H5* C 171 -0.080 47.771 -15.406 120 2H5* C 171 2H5* C 171 1.658 47.811 -15.704 121 H4* C 171 H4* C 171 0.184 47.651 -13.191 122 H3* C 171 H3* C 171 2.962 48.489 -14.028 123 H2* C 171 H2* C 171 3.582 48.528 -11.750 124 2HO* C 171 2HO* C 171 1.731 49.518 -10.959 125 H1* C 171 H1* C 171 2.128 46.109 -11.216 126 1H4 C 171 1H4 C 171 8.273 44.374 -11.149 127 2H4 C 171 2H4 C 171 8.284 44.387 -12.899 128 H5 C 171 H5 C 171 6.464 45.108 -14.221 129 H6 C 171 H6 C 171 4.162 46.001 -14.189 130 1H5* G 172 1H5* G 172 1.408 52.949 -13.060 131 2H5* G 172 2H5* G 172 2.516 53.804 -14.134 132 H4* G 172 H4* G 172 2.886 54.226 -11.708 133 H3* G 172 H3* G 172 5.089 53.151 -13.448 134 H2* G 172 H2* G 172 6.609 53.329 -11.622 135 2HO* G 172 2HO* G 172 5.502 54.248 -9.597 136 H1* G 172 H1* G 172 4.903 52.001 -9.854 137 H8 G 172 H8 G 172 4.646 50.483 -13.256 138 H1 G 172 H1 G 172 9.684 48.303 -9.829 139 1H2 G 172 1H2 G 172 9.915 49.456 -8.135 140 2H2 G 172 2H2 G 172 8.896 50.811 -7.706 141 1H5* U 173 1H5* U 173 6.817 56.251 -11.571 142 2H5* U 173 2H5* U 173 7.378 57.503 -12.680 143 H4* U 173 H4* U 173 9.235 57.114 -11.363 144 H3* U 173 H3* U 173 9.478 55.489 -13.886 145 H2* U 173 H2* U 173 11.642 54.788 -13.205 146 2HO* U 173 2HO* U 173 12.219 55.866 -10.980 147 H1* U 173 H1* U 173 10.805 54.147 -10.602 148 H3 U 173 H3 U 173 11.631 50.080 -12.423 149 H5 U 173 H5 U 173 8.014 51.252 -14.180 150 H6 U 173 H6 U 173 8.317 53.438 -13.111 151 1H5* C 174 1H5* C 174 12.953 57.719 -13.706 152 2H5* C 174 2H5* C 174 13.425 58.435 -15.247 153 H4* C 174 H4* C 174 15.233 57.092 -14.505 154 H3* C 174 H3* C 174 13.690 55.830 -16.768 155 H2* C 174 H2* C 174 15.350 54.137 -16.897 156 2HO* C 174 2HO* C 174 17.274 54.502 -15.515 157 H1* C 174 H1* C 174 15.380 53.807 -14.071 158 1H4 C 174 1H4 C 174 11.896 48.970 -16.411 159 2H4 C 174 2H4 C 174 10.478 49.989 -16.293 160 H5 C 174 H5 C 174 10.546 52.275 -15.704 161 H6 C 174 H6 C 174 12.006 54.165 -15.077 162 1H5* U 175 1H5* U 175 17.425 57.382 -19.086 163 2H5* U 175 2H5* U 175 17.229 58.619 -17.844 164 H4* U 175 H4* U 175 16.877 59.684 -20.540 165 H3* U 175 H3* U 175 19.306 58.042 -20.020 166 H2* U 175 H2* U 175 20.763 59.719 -20.845 167 2HO* U 175 2HO* U 175 19.864 61.318 -22.138 168 H1* U 175 H1* U 175 19.708 61.765 -19.338 169 H3 U 175 H3 U 175 23.543 60.633 -17.170 170 H5 U 175 H5 U 175 20.756 57.776 -15.902 171 H6 U 175 H6 U 175 19.209 58.689 -17.571 172 1H5* C 176 1H5* C 176 17.510 54.886 -20.244 173 2H5* C 176 2H5* C 176 18.565 55.739 -19.116 174 H4* C 176 H4* C 176 20.462 54.297 -19.999 175 H3* C 176 H3* C 176 18.226 53.075 -21.537 176 H2* C 176 H2* C 176 18.974 50.862 -21.079 177 2HO* C 176 2HO* C 176 21.043 50.699 -19.933 178 H1* C 176 H1* C 176 19.150 51.265 -18.340 179 1H4 C 176 1H4 C 176 13.213 49.113 -19.449 180 2H4 C 176 2H4 C 176 12.669 50.775 -19.453 181 H5 C 176 H5 C 176 14.121 52.635 -19.354 182 H6 C 176 H6 C 176 16.476 53.365 -19.224 183 1H5* G 177 1H5* G 177 21.834 50.745 -23.419 184 2H5* G 177 2H5* G 177 21.418 51.123 -25.091 185 H4* G 177 H4* G 177 21.719 48.713 -24.697 186 H3* G 177 H3* G 177 19.064 49.739 -25.653 187 H2* G 177 H2* G 177 18.261 47.504 -25.840 188 2HO* G 177 2HO* G 177 19.876 45.806 -25.445 189 H1* G 177 H1* G 177 19.085 46.810 -23.267 190 H8 G 177 H8 G 177 17.923 50.291 -23.003 191 H1 G 177 H1 G 177 13.027 46.072 -23.341 192 1H2 G 177 1H2 G 177 13.748 44.222 -23.898 193 2H2 G 177 2H2 G 177 15.430 43.867 -24.225 194 1H5* C 178 1H5* C 178 20.357 46.701 -28.301 195 2H5* C 178 2H5* C 178 19.975 47.032 -29.990 196 H4* C 178 H4* C 178 19.033 44.911 -29.309 197 H3* C 178 H3* C 178 17.096 47.111 -29.970 198 H2* C 178 H2* C 178 15.278 45.612 -29.674 199 2HO* C 178 2HO* C 178 15.736 43.412 -29.727 200 H1* C 178 H1* C 178 16.304 44.617 -27.238 201 1H4 C 178 1H4 C 178 11.951 48.995 -25.576 202 2H4 C 178 2H4 C 178 13.173 50.237 -25.738 203 H5 C 178 H5 C 178 15.351 49.840 -26.562 204 H6 C 178 H6 C 178 16.907 48.136 -27.441 205 1H5* U 179 1H5* U 179 15.948 43.802 -32.580 206 2H5* U 179 2H5* U 179 15.624 44.477 -34.177 207 H4* U 179 H4* U 179 13.722 43.206 -33.404 208 H3* U 179 H3* U 179 13.355 46.172 -33.681 209 H2* U 179 H2* U 179 11.068 45.970 -33.084 210 2HO* U 179 2HO* U 179 10.892 43.318 -32.601 211 H1* U 179 H1* U 179 11.637 44.293 -30.883 212 H3 U 179 H3 U 179 9.977 48.300 -29.334 213 H5 U 179 H5 U 179 14.098 48.881 -29.796 214 H6 U 179 H6 U 179 14.175 46.716 -30.943 215 1H5* U 180 1H5* U 180 10.442 44.193 -35.567 216 2H5* U 180 2H5* U 180 9.879 44.706 -37.157 217 H4* U 180 H4* U 180 7.993 44.670 -35.725 218 H3* U 180 H3* U 180 8.959 47.419 -36.419 219 H2* U 180 H2* U 180 7.211 48.405 -35.155 220 2HO* U 180 2HO* U 180 5.424 47.147 -34.764 221 H1* U 180 H1* U 180 7.653 46.684 -32.947 222 H3 U 180 H3 U 180 8.785 50.746 -31.287 223 H5 U 180 H5 U 180 11.956 49.789 -33.849 224 H6 U 180 H6 U 180 10.654 47.841 -34.572 225 1H5* A 181 1H5* A 181 5.618 47.144 -39.985 226 2H5* A 181 2H5* A 181 6.357 48.402 -40.974 227 H4* A 181 H4* A 181 4.106 48.930 -39.939 228 H3* A 181 H3* A 181 6.498 50.736 -39.688 229 H2* A 181 H2* A 181 5.157 52.351 -38.578 230 2HO* A 181 2HO* A 181 3.258 52.172 -39.702 231 H1* A 181 H1* A 181 4.033 50.493 -36.819 232 H8 A 181 H8 A 181 7.638 49.716 -37.477 233 1H6 A 181 1H6 A 181 8.987 53.604 -32.785 234 2H6 A 181 2H6 A 181 9.661 52.421 -33.884 235 H2 A 181 H2 A 181 4.653 53.971 -33.691 236 1H5* U 182 1H5* U 182 6.604 51.086 -44.355 237 2H5* U 182 2H5* U 182 5.251 51.640 -45.341 238 H4* U 182 H4* U 182 4.996 49.445 -43.280 239 H3* U 182 H3* U 182 5.941 49.260 -46.118 240 H2* U 182 H2* U 182 4.700 47.260 -46.440 241 2HO* U 182 2HO* U 182 3.444 46.937 -44.117 242 H1* U 182 H1* U 182 2.373 48.366 -45.268 243 H3 U 182 H3 U 182 1.436 47.611 -49.689 244 H5 U 182 H5 U 182 3.454 51.280 -49.609 245 H6 U 182 H6 U 182 3.940 50.849 -47.245 246 1H5* U 183 1H5* U 183 11.165 47.645 -44.298 247 2H5* U 183 2H5* U 183 10.291 46.514 -45.332 248 H4* U 183 H4* U 183 9.238 46.046 -42.800 249 H3* U 183 H3* U 183 12.164 46.727 -42.556 250 H2* U 183 H2* U 183 12.442 44.974 -41.026 251 2HO* U 183 2HO* U 183 10.346 44.046 -40.186 252 H1* U 183 H1* U 183 10.519 43.337 -42.495 253 H3 U 183 H3 U 183 14.270 40.761 -41.811 254 H5 U 183 H5 U 183 15.178 43.231 -45.068 255 H6 U 183 H6 U 183 13.113 44.462 -44.584 256 1H5* C 184 1H5* C 184 10.548 51.373 -39.411 257 2H5* C 184 2H5* C 184 12.019 51.088 -40.341 258 H4* C 184 H4* C 184 11.527 50.296 -37.462 259 H3* C 184 H3* C 184 13.043 52.564 -38.721 260 H2* C 184 H2* C 184 14.661 52.457 -36.982 261 2HO* C 184 2HO* C 184 13.616 51.905 -35.155 262 H1* C 184 H1* C 184 14.909 49.653 -37.206 263 1H4 C 184 1H4 C 184 19.798 52.097 -40.532 264 2H4 C 184 2H4 C 184 18.758 52.183 -41.936 265 H5 C 184 H5 C 184 16.447 51.699 -41.894 266 H6 C 184 H6 C 184 14.546 51.006 -40.479 267 1H5* G 185 1H5* G 185 11.700 55.750 -34.290 268 2H5* G 185 2H5* G 185 13.120 56.313 -35.171 269 H4* G 185 H4* G 185 13.036 54.643 -32.657 270 H3* G 185 H3* G 185 13.773 57.470 -33.259 271 H2* G 185 H2* G 185 15.590 57.413 -31.719 272 2HO* G 185 2HO* G 185 14.742 56.109 -30.136 273 H1* G 185 H1* G 185 16.657 55.073 -32.795 274 H8 G 185 H8 G 185 17.370 58.164 -32.555 275 H1 G 185 H1 G 185 17.424 57.227 -38.959 276 1H2 G 185 1H2 G 185 16.383 55.506 -39.412 277 2H2 G 185 2H2 G 185 15.611 54.470 -38.232 278 1H5* G 186 1H5* G 186 11.324 59.188 -28.478 279 2H5* G 186 2H5* G 186 12.600 60.243 -29.085 280 H4* G 186 H4* G 186 12.832 58.228 -26.841 281 H3* G 186 H3* G 186 12.517 61.206 -26.887 282 H2* G 186 H2* G 186 13.973 61.425 -25.013 283 2HO* G 186 2HO* G 186 14.587 59.464 -23.935 284 H1* G 186 H1* G 186 15.964 59.841 -26.157 285 H8 G 186 H8 G 186 14.465 61.800 -28.909 286 H1 G 186 H1 G 186 18.614 65.259 -25.344 287 1H2 G 186 1H2 G 186 19.083 64.216 -23.628 288 2H2 G 186 2H2 G 186 18.447 62.639 -23.216 289 1H5* G 187 1H5* G 187 8.277 59.955 -23.721 290 2H5* G 187 2H5* G 187 9.080 58.947 -24.925 291 H4* G 187 H4* G 187 6.646 60.684 -25.233 292 H3* G 187 H3* G 187 7.239 57.761 -25.527 293 H2* G 187 H2* G 187 5.577 57.566 -27.224 294 2HO* G 187 2HO* G 187 5.027 60.323 -27.201 295 H1* G 187 H1* G 187 6.566 59.727 -28.684 296 H8 G 187 H8 G 187 9.547 58.049 -27.337 297 H1 G 187 H1 G 187 6.984 54.864 -32.354 298 1H2 G 187 1H2 G 187 5.114 55.627 -32.771 299 2H2 G 187 2H2 G 187 4.354 56.935 -31.893 300 1H5* G 188 1H5* G 188 3.091 57.870 -26.067 301 2H5* G 188 2H5* G 188 2.465 57.093 -24.613 302 H4* G 188 H4* G 188 1.282 56.059 -26.310 303 H3* G 188 H3* G 188 3.624 54.340 -25.536 304 H2* G 188 H2* G 188 2.882 52.663 -27.056 305 2HO* G 188 2HO* G 188 0.750 52.718 -27.592 306 H1* G 188 H1* G 188 2.586 54.476 -29.165 307 H8 G 188 H8 G 188 5.601 55.572 -27.373 308 H1 G 188 H1 G 188 6.679 50.338 -31.024 309 1H2 G 188 1H2 G 188 4.878 49.550 -31.648 310 2H2 G 188 2H2 G 188 3.309 50.210 -31.243 311 1H5* A 189 1H5* A 189 0.381 51.503 -25.092 312 2H5* A 189 2H5* A 189 0.814 50.472 -23.729 313 H4* A 189 H4* A 189 0.607 49.276 -25.899 314 H3* A 189 H3* A 189 3.193 49.190 -24.358 315 H2* A 189 H2* A 189 4.032 47.592 -25.908 316 2HO* A 189 2HO* A 189 2.535 46.482 -27.124 317 H1* A 189 H1* A 189 3.212 49.109 -28.134 318 H8 A 189 H8 A 189 4.586 51.324 -25.465 319 1H6 A 189 1H6 A 189 10.231 50.241 -27.897 320 2H6 A 189 2H6 A 189 9.348 51.216 -26.743 321 H2 A 189 H2 A 189 7.332 47.484 -29.830 322 1H5* G 190 1H5* G 190 2.003 45.080 -25.078 323 2H5* G 190 2H5* G 190 2.043 44.252 -23.522 324 H4* G 190 H4* G 190 3.227 42.886 -25.034 325 H3* G 190 H3* G 190 5.033 44.390 -23.162 326 H2* G 190 H2* G 190 6.916 43.242 -24.064 327 2HO* G 190 2HO* G 190 6.491 41.441 -25.421 328 H1* G 190 H1* G 190 6.206 43.800 -26.705 329 H8 G 190 H8 G 190 5.331 46.757 -24.637 330 H1 G 190 H1 G 190 11.619 46.486 -26.146 331 1H2 G 190 1H2 G 190 12.054 44.640 -26.958 332 2H2 G 190 2H2 G 190 10.888 43.357 -27.194 333 1H5* C 191 1H5* C 191 6.079 40.111 -22.680 334 2H5* C 191 2H5* C 191 6.858 39.926 -21.109 335 H4* C 191 H4* C 191 8.281 39.434 -23.135 336 H3* C 191 H3* C 191 9.145 41.364 -20.991 337 H2* C 191 H2* C 191 11.260 41.559 -22.052 338 2HO* C 191 2HO* C 191 11.649 40.047 -23.845 339 H1* C 191 H1* C 191 10.134 41.909 -24.605 340 1H4 C 191 1H4 C 191 11.369 47.780 -22.356 341 2H4 C 191 2H4 C 191 9.736 47.832 -21.729 342 H5 C 191 H5 C 191 8.256 45.992 -21.761 343 H6 C 191 H6 C 191 7.975 43.626 -22.409 344 1H5* G 192 1H5* G 192 12.579 38.854 -21.737 345 2H5* G 192 2H5* G 192 12.736 37.985 -20.211 346 H4* G 192 H4* G 192 14.909 38.634 -20.698 347 H3* G 192 H3* G 192 13.663 40.500 -18.713 348 H2* G 192 H2* G 192 15.678 41.767 -18.588 349 2HO* G 192 2HO* G 192 17.320 40.711 -20.300 350 H1* G 192 H1* G 192 15.895 42.018 -21.358 351 H8 G 192 H8 G 192 12.294 42.195 -20.460 352 H1 G 192 H1 G 192 15.427 47.779 -19.519 353 1H2 G 192 1H2 G 192 17.459 47.466 -19.688 354 2H2 G 192 2H2 G 192 18.202 45.921 -20.033 355 1H5* G 193 1H5* G 193 17.695 40.128 -17.467 356 2H5* G 193 2H5* G 193 17.585 39.338 -15.894 357 H4* G 193 H4* G 193 19.038 41.115 -15.530 358 H3* G 193 H3* G 193 16.269 41.817 -14.600 359 H2* G 193 H2* G 193 17.076 43.904 -13.781 360 2HO* G 193 2HO* G 193 19.676 43.363 -14.754 361 H1* G 193 H1* G 193 18.377 44.532 -16.168 362 H8 G 193 H8 G 193 15.153 42.727 -16.808 363 H1 G 193 H1 G 193 14.454 49.104 -15.953 364 1H2 G 193 1H2 G 193 16.235 49.910 -15.296 365 2H2 G 193 2H2 G 193 17.699 48.995 -15.018 366 1H5* A 194 1H5* A 194 19.023 42.712 -11.770 367 2H5* A 194 2H5* A 194 18.807 41.921 -10.208 368 H4* A 194 H4* A 194 19.254 44.119 -9.634 369 H3* A 194 H3* A 194 16.288 43.643 -9.605 370 H2* A 194 H2* A 194 15.926 45.870 -8.862 371 2HO* A 194 2HO* A 194 17.606 46.821 -7.808 372 H1* A 194 H1* A 194 17.582 47.006 -10.793 373 H8 A 194 H8 A 194 15.782 44.063 -12.232 374 1H6 A 194 1H6 A 194 11.095 47.972 -13.539 375 2H6 A 194 2H6 A 194 11.701 46.351 -13.792 376 H2 A 194 H2 A 194 14.028 50.122 -10.985 377 1H5* C 195 1H5* C 195 17.003 45.442 -6.014 378 2H5* C 195 2H5* C 195 16.514 44.430 -4.655 379 H4* C 195 H4* C 195 15.506 46.477 -4.218 380 H3* C 195 H3* C 195 13.551 44.551 -5.420 381 H2* C 195 H2* C 195 11.815 46.166 -5.297 382 2HO* C 195 2HO* C 195 13.636 48.056 -4.204 383 H1* C 195 H1* C 195 13.462 48.193 -6.407 384 1H4 C 195 1H4 C 195 9.947 46.246 -11.356 385 2H4 C 195 2H4 C 195 10.874 44.765 -11.440 386 H5 C 195 H5 C 195 12.554 44.174 -9.890 387 H6 C 195 H6 C 195 13.771 44.865 -7.855 388 1H5* G 196 1H5* G 196 12.275 44.001 -0.881 389 2H5* G 196 2H5* G 196 11.557 42.392 -0.955 390 H4* G 196 H4* G 196 9.943 44.278 -0.621 391 H3* G 196 H3* G 196 9.646 42.315 -2.877 392 H2* G 196 H2* G 196 7.577 43.329 -3.482 393 2HO* G 196 2HO* G 196 7.065 43.700 -1.231 394 H1* G 196 H1* G 196 8.642 45.909 -3.476 395 H8 G 196 H8 G 196 11.273 43.678 -4.807 396 H1 G 196 H1 G 196 6.722 45.076 -9.190 397 1H2 G 196 1H2 G 196 5.121 45.980 -8.256 398 2H2 G 196 2H2 G 196 5.026 46.311 -6.541 399 1H5* A 197 1H5* A 197 5.621 40.755 -2.256 400 2H5* A 197 2H5* A 197 5.301 42.005 -1.054 401 H4* A 197 H4* A 197 4.270 40.433 0.427 402 H3* A 197 H3* A 197 5.421 38.320 -1.371 403 H2* A 197 H2* A 197 3.520 37.033 -1.201 404 2HO* A 197 2HO* A 197 2.223 37.769 0.920 405 H1* A 197 H1* A 197 1.943 39.473 -0.484 406 H8 A 197 H8 A 197 3.189 38.266 -3.889 407 1H6 A 197 1H6 A 197 -2.785 36.889 -5.056 408 2H6 A 197 2H6 A 197 -1.180 36.937 -5.750 409 H2 A 197 H2 A 197 -2.477 38.287 -0.850 410 1H5* U 198 1H5* U 198 7.482 36.234 3.850 411 2H5* U 198 2H5* U 198 8.511 36.573 2.459 412 H4* U 198 H4* U 198 7.537 34.300 1.561 413 H3* U 198 H3* U 198 6.864 34.166 4.485 414 H2* U 198 H2* U 198 7.749 32.049 4.668 415 2HO* U 198 2HO* U 198 6.710 30.872 3.168 416 H1* U 198 H1* U 198 9.439 32.558 2.250 417 H3 U 198 H3 U 198 13.223 31.122 4.132 418 H5 U 198 H5 U 198 10.949 32.241 7.466 419 H6 U 198 H6 U 198 9.205 32.973 5.906 420 1H5* G 199 1H5* G 199 3.558 36.210 2.621 421 2H5* G 199 2H5* G 199 4.638 37.375 3.387 422 H4* G 199 H4* G 199 2.595 37.936 4.288 423 H3* G 199 H3* G 199 3.973 36.053 6.193 424 H2* G 199 H2* G 199 2.190 36.362 7.739 425 2HO* G 199 2HO* G 199 1.915 38.577 7.299 426 H1* G 199 H1* G 199 0.225 35.947 5.761 427 H8 G 199 H8 G 199 3.265 34.368 7.376 428 H1 G 199 H1 G 199 -1.594 30.260 6.195 429 1H2 G 199 1H2 G 199 -3.051 31.215 5.092 430 2H2 G 199 2H2 G 199 -2.968 32.881 4.565 431 1H5* A 200 1H5* A 200 6.574 35.618 6.679 432 2H5* A 200 2H5* A 200 5.186 35.243 7.701 433 H4* A 200 H4* A 200 7.259 36.241 9.383 434 H3* A 200 H3* A 200 8.304 34.530 7.204 435 H2* A 200 H2* A 200 9.379 33.010 8.669 436 2HO* A 200 2HO* A 200 8.415 34.595 10.850 437 H1* A 200 H1* A 200 7.212 32.518 10.250 438 H8 A 200 H8 A 200 5.755 33.364 6.948 439 1H6 A 200 1H6 A 200 6.802 27.447 5.260 440 2H6 A 200 2H6 A 200 6.004 28.934 4.796 441 H2 A 200 H2 A 200 8.873 28.178 9.123 442 1H5* C 201 1H5* C 201 12.822 36.176 8.312 443 2H5* C 201 2H5* C 201 13.336 34.512 8.031 444 H4* C 201 H4* C 201 11.386 35.591 10.034 445 H3* C 201 H3* C 201 13.858 33.893 10.123 446 H2* C 201 H2* C 201 13.064 32.781 12.060 447 2HO* C 201 2HO* C 201 10.702 33.868 12.528 448 H1* C 201 H1* C 201 10.449 32.500 10.927 449 1H4 C 201 1H4 C 201 12.934 26.664 10.339 450 2H4 C 201 2H4 C 201 14.052 27.248 9.126 451 H5 C 201 H5 C 201 14.234 29.515 8.487 452 H6 C 201 H6 C 201 13.379 31.801 8.858 453 1H5* C 202 1H5* C 202 13.662 35.956 14.022 454 2H5* C 202 2H5* C 202 15.222 35.878 14.841 455 H4* C 202 H4* C 202 13.365 34.567 15.905 456 H3* C 202 H3* C 202 15.952 33.221 15.121 457 H2* C 202 H2* C 202 15.227 31.280 16.262 458 2HO* C 202 2HO* C 202 13.583 31.528 17.801 459 H1* C 202 H1* C 202 12.581 31.517 15.206 460 1H4 C 202 1H4 C 202 15.365 26.818 11.877 461 2H4 C 202 2H4 C 202 16.061 28.022 10.815 462 H5 C 202 H5 C 202 15.893 30.350 11.176 463 H6 C 202 H6 C 202 15.005 32.114 12.658 464 1H5* C 203 1H5* C 203 15.262 33.099 19.256 465 2H5* C 203 2H5* C 203 16.632 32.890 20.347 466 H4* C 203 H4* C 203 15.053 31.042 20.525 467 H3* C 203 H3* C 203 17.797 30.397 19.450 468 H2* C 203 H2* C 203 17.249 28.089 19.568 469 2HO* C 203 2HO* C 203 14.659 28.589 20.539 470 H1* C 203 H1* C 203 14.690 28.533 18.403 471 1H4 C 203 1H4 C 203 18.407 26.201 13.740 472 2H4 C 203 2H4 C 203 18.892 27.839 13.362 473 H5 C 203 H5 C 203 18.283 29.721 14.652 474 H6 C 203 H6 C 203 17.047 30.503 16.641 475 1H5* U 204 1H5* U 204 16.794 28.382 22.953 476 2H5* U 204 2H5* U 204 18.049 27.981 24.126 477 H4* U 204 H4* U 204 16.822 25.998 23.466 478 H3* U 204 H3* U 204 19.716 26.145 22.663 479 H2* U 204 H2* U 204 19.588 23.919 21.829 480 2HO* U 204 2HO* U 204 17.762 22.687 22.417 481 H1* U 204 H1* U 204 17.264 24.420 20.360 482 H3 U 204 H3 U 204 20.848 23.919 17.497 483 H5 U 204 H5 U 204 20.707 27.992 18.461 484 H6 U 204 H6 U 204 19.038 27.429 20.167 485 1H5* A 205 1H5* A 205 20.360 23.823 26.814 486 2H5* A 205 2H5* A 205 22.113 23.969 26.935 487 H4* A 205 H4* A 205 21.086 21.715 26.218 488 H3* A 205 H3* A 205 23.443 23.047 24.902 489 H2* A 205 H2* A 205 23.713 21.151 23.500 490 2HO* A 205 2HO* A 205 21.498 19.979 24.891 491 H1* A 205 H1* A 205 21.001 21.026 22.822 492 H8 A 205 H8 A 205 21.840 24.608 22.957 493 1H6 A 205 1H6 A 205 24.188 24.057 17.201 494 2H6 A 205 2H6 A 205 23.717 25.203 18.435 495 H2 A 205 H2 A 205 23.412 19.978 18.782 496 1H5* G 206 1H5* G 206 27.326 22.577 25.428 497 2H5* G 206 2H5* G 206 26.731 23.208 23.893 498 H4* G 206 H4* G 206 28.692 21.634 23.759 499 H3* G 206 H3* G 206 26.170 21.216 22.181 500 H2* G 206 H2* G 206 27.167 19.352 21.082 501 2HO* G 206 2HO* G 206 29.349 19.389 21.001 502 H1* G 206 H1* G 206 28.000 18.167 23.462 503 H8 G 206 H8 G 206 24.939 19.681 21.822 504 H1 G 206 H1 G 206 23.814 14.212 25.094 505 1H2 G 206 1H2 G 206 25.513 13.664 26.126 506 2H2 G 206 2H2 G 206 27.019 14.555 26.107 507 1H5* U 207 1H5* U 207 26.736 21.964 17.626 508 2H5* U 207 2H5* U 207 28.396 21.678 17.105 509 H4* U 207 H4* U 207 27.056 23.734 16.214 510 H3* U 207 H3* U 207 29.955 23.671 17.011 511 H2* U 207 H2* U 207 30.185 25.939 16.350 512 2HO* U 207 2HO* U 207 28.684 26.726 14.911 513 H1* U 207 H1* U 207 27.903 26.790 17.704 514 H3 U 207 H3 U 207 30.978 28.470 20.514 515 H5 U 207 H5 U 207 31.488 24.335 20.938 516 H6 U 207 H6 U 207 29.840 24.047 19.145 517 1H5* A 208 1H5* A 208 31.967 24.174 12.085 518 2H5* A 208 2H5* A 208 30.614 24.217 10.955 519 H4* A 208 H4* A 208 32.128 22.547 10.206 520 H3* A 208 H3* A 208 29.557 21.539 11.338 521 H2* A 208 H2* A 208 30.201 19.273 10.993 522 2HO* A 208 2HO* A 208 32.283 18.974 9.862 523 H1* A 208 H1* A 208 32.679 19.610 12.247 524 H8 A 208 H8 A 208 29.450 21.269 13.481 525 1H6 A 208 1H6 A 208 29.365 16.753 17.788 526 2H6 A 208 2H6 A 208 28.550 18.199 17.233 527 H2 A 208 H2 A 208 32.817 16.031 15.086 528 1H5* G 209 1H5* G 209 28.819 20.117 7.980 529 2H5* G 209 2H5* G 209 27.124 20.098 7.494 530 H4* G 209 H4* G 209 27.831 18.200 8.959 531 H3* G 209 H3* G 209 25.541 19.998 9.704 532 H2* G 209 H2* G 209 25.081 18.624 11.596 533 2HO* G 209 2HO* G 209 27.305 16.971 11.042 534 H1* G 209 H1* G 209 27.732 18.646 12.469 535 H8 G 209 H8 G 209 27.049 22.009 11.099 536 H1 G 209 H1 G 209 24.599 21.179 17.032 537 1H2 G 209 1H2 G 209 24.681 19.181 17.538 538 2H2 G 209 2H2 G 209 25.319 17.919 16.508 539 1H5* A 210 1H5* A 210 24.269 16.088 10.862 540 2H5* A 210 2H5* A 210 22.728 15.889 10.027 541 H4* A 210 H4* A 210 22.438 15.437 12.369 542 H3* A 210 H3* A 210 21.138 17.971 11.385 543 H2* A 210 H2* A 210 20.102 18.226 13.504 544 2HO* A 210 2HO* A 210 19.626 16.292 14.362 545 H1* A 210 H1* A 210 22.485 17.674 14.909 546 H8 A 210 H8 A 210 23.115 19.854 11.940 547 1H6 A 210 1H6 A 210 21.809 24.715 15.630 548 2H6 A 210 2H6 A 210 22.428 24.253 14.060 549 H2 A 210 H2 A 210 20.775 20.990 17.820 550 1H5* G 211 1H5* G 211 18.080 15.272 13.095 551 2H5* G 211 2H5* G 211 16.537 15.526 12.280 552 H4* G 211 H4* G 211 16.419 15.805 14.733 553 H3* G 211 H3* G 211 15.679 18.086 12.922 554 H2* G 211 H2* G 211 14.996 19.363 14.814 555 2HO* G 211 2HO* G 211 15.298 18.077 16.928 556 H1* G 211 H1* G 211 17.363 18.879 16.211 557 H8 G 211 H8 G 211 18.389 19.238 12.699 558 H1 G 211 H1 G 211 17.032 24.931 15.461 559 1H2 G 211 1H2 G 211 16.078 24.613 17.262 560 2H2 G 211 2H2 G 211 15.701 23.039 17.924 561 1H5* G 212 1H5* G 212 12.735 17.350 15.732 562 2H5* G 212 2H5* G 212 11.160 16.981 15.031 563 H4* G 212 H4* G 212 10.668 18.454 16.757 564 H3* G 212 H3* G 212 10.693 19.846 14.111 565 H2* G 212 H2* G 212 10.173 21.933 15.138 566 2HO* G 212 2HO* G 212 10.295 21.005 17.749 567 H1* G 212 H1* G 212 12.215 21.699 17.031 568 H8 G 212 H8 G 212 13.393 20.307 13.783 569 H1 G 212 H1 G 212 13.803 26.758 14.106 570 1H2 G 212 1H2 G 212 12.800 27.429 15.779 571 2H2 G 212 2H2 G 212 11.972 26.397 16.924 572 1H5* G 213 1H5* G 213 5.915 19.289 14.497 573 2H5* G 213 2H5* G 213 5.536 19.286 12.775 574 H4* G 213 H4* G 213 4.697 21.264 14.070 575 H3* G 213 H3* G 213 6.405 21.571 11.616 576 H2* G 213 H2* G 213 6.126 23.935 11.725 577 2HO* G 213 2HO* G 213 4.685 23.958 14.091 578 H1* G 213 H1* G 213 6.822 24.063 14.426 579 H8 G 213 H8 G 213 8.934 21.467 12.816 580 H1 G 213 H1 G 213 11.066 27.486 11.764 581 1H2 G 213 1H2 G 213 9.634 28.840 12.372 582 2H2 G 213 2H2 G 213 8.086 28.409 13.063 583 1H5* G 214 1H5* G 214 4.996 24.777 9.997 584 2H5* G 214 2H5* G 214 4.735 24.159 8.366 585 H4* G 214 H4* G 214 6.694 25.710 8.661 586 H3* G 214 H3* G 214 6.973 22.985 7.419 587 H2* G 214 H2* G 214 9.252 23.461 6.917 588 2HO* G 214 2HO* G 214 9.955 25.677 7.338 589 H1* G 214 H1* G 214 9.812 24.348 9.510 590 H8 G 214 H8 G 214 7.526 21.515 9.967 591 H1 G 214 H1 G 214 13.516 19.602 8.435 592 1H2 G 214 1H2 G 214 14.612 21.223 7.785 593 2H2 G 214 2H2 G 214 13.999 22.858 7.671 594 1H5* G 215 1H5* G 215 8.379 25.555 3.170 595 2H5* G 215 2H5* G 215 6.911 24.779 2.575 596 H4* G 215 H4* G 215 8.958 24.397 1.189 597 H3* G 215 H3* G 215 7.341 22.110 2.279 598 H2* G 215 H2* G 215 8.712 20.575 1.079 599 2HO* G 215 2HO* G 215 8.919 21.980 -0.733 600 H1* G 215 H1* G 215 11.089 21.698 2.012 601 H8 G 215 H8 G 215 8.683 21.867 4.812 602 H1 G 215 H1 G 215 11.207 15.959 4.036 603 1H2 G 215 1H2 G 215 12.210 15.869 2.237 604 2H2 G 215 2H2 G 215 12.348 17.197 1.106 605 1H5* C 216 1H5* C 216 5.506 22.295 -1.993 606 2H5* C 216 2H5* C 216 4.031 21.342 -1.835 607 H4* C 216 H4* C 216 6.044 20.222 -2.916 608 H3* C 216 H3* C 216 4.471 18.976 -0.668 609 H2* C 216 H2* C 216 5.742 16.987 -0.922 610 2HO* C 216 2HO* C 216 7.215 18.172 -3.042 611 H1* C 216 H1* C 216 8.191 18.372 -1.034 612 1H4 C 216 1H4 C 216 7.590 16.442 5.035 613 2H4 C 216 2H4 C 216 6.698 17.907 5.382 614 H5 C 216 H5 C 216 6.047 19.470 3.736 615 H6 C 216 H6 C 216 6.091 20.019 1.329 616 1H5* U 217 1H5* U 217 3.654 15.853 -3.955 617 2H5* U 217 2H5* U 217 2.124 15.197 -3.371 618 H4* U 217 H4* U 217 4.097 13.607 -3.477 619 H3* U 217 H3* U 217 2.400 13.958 -1.016 620 H2* U 217 H2* U 217 3.586 12.186 0.033 621 2HO* U 217 2HO* U 217 4.925 10.881 -1.313 622 H1* U 217 H1* U 217 6.096 13.205 -0.684 623 H3 U 217 H3 U 217 5.438 13.630 3.870 624 H5 U 217 H5 U 217 3.946 17.145 2.149 625 H6 U 217 H6 U 217 4.201 16.065 -0.038 626 1H5* G 218 1H5* G 218 -1.055 10.136 -1.899 627 2H5* G 218 2H5* G 218 -0.570 9.619 -0.285 628 H4* G 218 H4* G 218 -0.674 7.673 -1.617 629 H3* G 218 H3* G 218 2.110 8.575 -0.995 630 H2* G 218 H2* G 218 3.038 6.770 -2.218 631 2HO* G 218 2HO* G 218 0.769 5.597 -3.142 632 H1* G 218 H1* G 218 1.285 7.181 -4.413 633 H8 G 218 H8 G 218 2.492 10.496 -3.444 634 H1 G 218 H1 G 218 6.980 7.128 -6.670 635 1H2 G 218 1H2 G 218 6.401 5.153 -6.795 636 2H2 G 218 2H2 G 218 4.920 4.505 -6.126 637 1H5* C 219 1H5* C 219 3.306 4.722 2.609 638 2H5* C 219 2H5* C 219 1.843 4.333 3.514 639 H4* C 219 H4* C 219 3.612 6.021 4.458 640 H3* C 219 H3* C 219 0.736 5.821 4.844 641 H2* C 219 H2* C 219 0.363 8.062 4.486 642 2HO* C 219 2HO* C 219 2.113 8.047 6.776 643 H1* C 219 H1* C 219 3.347 8.562 4.944 644 1H4 C 219 1H4 C 219 1.375 14.158 2.479 645 2H4 C 219 2H4 C 219 1.502 13.421 0.898 646 H5 C 219 H5 C 219 1.945 11.128 0.547 647 H6 C 219 H6 C 219 2.380 8.956 1.639 648 1H5* G 220 1H5* G 220 5.278 4.224 7.134 649 2H5* G 220 2H5* G 220 4.903 5.753 6.341 650 H4* G 220 H4* G 220 6.423 3.392 5.314 651 H3* G 220 H3* G 220 6.859 6.383 5.356 652 H2* G 220 H2* G 220 8.280 6.170 3.532 653 2HO* G 220 2HO* G 220 8.929 3.701 3.246 654 H1* G 220 H1* G 220 6.775 3.766 2.657 655 H8 G 220 H8 G 220 6.467 4.216 0.215 656 H1 G 220 H1 G 220 5.965 10.609 1.084 657 1H2 G 220 1H2 G 220 6.107 11.045 3.094 658 2H2 G 220 2H2 G 220 6.329 9.855 4.357 659 1H5* G 221 1H5* G 221 10.340 5.322 5.978 660 2H5* G 221 2H5* G 221 11.502 6.453 6.672 661 H4* G 221 H4* G 221 10.776 6.420 4.074 662 H3* G 221 H3* G 221 11.758 8.716 5.772 663 H2* G 221 H2* G 221 11.724 10.087 3.838 664 2HO* G 221 2HO* G 221 10.808 8.080 2.129 665 H1* G 221 H1* G 221 9.186 9.131 3.026 666 H8 G 221 H8 G 221 9.315 9.786 6.700 667 H1 G 221 H1 G 221 8.118 15.079 3.174 668 1H2 G 221 1H2 G 221 8.415 14.658 1.177 669 2H2 G 221 2H2 G 221 8.914 13.103 0.551 670 1H5* C 222 1H5* C 222 15.458 7.876 3.479 671 2H5* C 222 2H5* C 222 16.764 8.803 4.218 672 H4* C 222 H4* C 222 15.485 9.836 2.247 673 H3* C 222 H3* C 222 16.038 11.321 4.822 674 H2* C 222 H2* C 222 15.233 13.278 3.793 675 2HO* C 222 2HO* C 222 14.760 12.706 1.304 676 H1* C 222 H1* C 222 13.152 11.802 2.430 677 1H4 C 222 1H4 C 222 10.198 15.347 6.865 678 2H4 C 222 2H4 C 222 10.534 14.096 8.040 679 H5 C 222 H5 C 222 11.869 12.198 7.596 680 H6 C 222 H6 C 222 13.222 11.023 5.897 681 1H5* U 223 1H5* U 223 16.622 14.406 2.411 682 2H5* U 223 2H5* U 223 18.318 14.828 2.651 683 H4* U 223 H4* U 223 17.046 16.771 3.105 684 H3* U 223 H3* U 223 18.128 15.450 5.579 685 H2* U 223 H2* U 223 17.178 17.102 6.928 686 2HO* U 223 2HO* U 223 17.530 19.037 6.012 687 H1* U 223 H1* U 223 14.887 17.342 5.118 688 H3 U 223 H3 U 223 12.982 16.980 9.245 689 H5 U 223 H5 U 223 14.406 13.133 8.400 690 H6 U 223 H6 U 223 15.516 14.084 6.431 691 1H5* U 224 1H5* U 224 20.211 18.031 1.637 692 2H5* U 224 2H5* U 224 18.707 17.695 2.493 693 H4* U 224 H4* U 224 19.518 15.948 0.196 694 H3* U 224 H3* U 224 18.736 18.795 -0.056 695 H2* U 224 H2* U 224 17.032 18.371 -1.638 696 2HO* U 224 2HO* U 224 17.076 16.374 -2.707 697 H1* U 224 H1* U 224 15.817 16.341 -0.228 698 H3 U 224 H3 U 224 12.897 19.480 1.041 699 H5 U 224 H5 U 224 16.505 20.932 2.594 700 H6 U 224 H6 U 224 17.618 19.026 1.524 701 1H5* A 225 1H5* A 225 20.720 18.389 -4.242 702 2H5* A 225 2H5* A 225 20.603 20.057 -4.804 703 H4* A 225 H4* A 225 18.875 18.269 -5.590 704 H3* A 225 H3* A 225 18.238 21.108 -4.786 705 H2* A 225 H2* A 225 16.006 20.755 -5.497 706 2HO* A 225 2HO* A 225 16.666 18.110 -6.306 707 H1* A 225 H1* A 225 15.850 18.221 -4.240 708 H8 A 225 H8 A 225 17.508 20.969 -2.250 709 1H6 A 225 1H6 A 225 11.852 22.128 0.121 710 2H6 A 225 2H6 A 225 13.551 22.530 0.244 711 H2 A 225 H2 A 225 11.409 19.131 -3.129 712 1H5* G 226 1H5* G 226 17.394 20.200 -8.915 713 2H5* G 226 2H5* G 226 17.097 21.534 -10.031 714 H4* G 226 H4* G 226 15.154 20.028 -9.724 715 H3* G 226 H3* G 226 14.925 22.955 -9.086 716 H2* G 226 H2* G 226 12.598 22.678 -8.656 717 2HO* G 226 2HO* G 226 11.655 20.665 -9.267 718 H1* G 226 H1* G 226 13.008 20.486 -6.966 719 H8 G 226 H8 G 226 15.780 22.776 -6.230 720 H1 G 226 H1 G 226 10.200 24.768 -3.626 721 1H2 G 226 1H2 G 226 8.640 23.683 -4.426 722 2H2 G 226 2H2 G 226 8.817 22.422 -5.625 723 1H5* G 227 1H5* G 227 13.593 21.671 -14.046 724 2H5* G 227 2H5* G 227 15.348 21.841 -14.085 725 H4* G 227 H4* G 227 14.627 22.513 -16.204 726 H3* G 227 H3* G 227 15.300 24.846 -14.450 727 H2* G 227 H2* G 227 14.799 26.364 -16.217 728 2HO* G 227 2HO* G 227 13.996 24.230 -17.896 729 H1* G 227 H1* G 227 12.317 25.200 -16.743 730 H8 G 227 H8 G 227 12.984 25.151 -13.070 731 H1 G 227 H1 G 227 10.661 30.805 -15.196 732 1H2 G 227 1H2 G 227 10.666 30.820 -17.258 733 2H2 G 227 2H2 G 227 11.218 29.498 -18.261 734 1H5* A 228 1H5* A 228 17.929 25.647 -18.034 735 2H5* A 228 2H5* A 228 19.364 26.382 -17.319 736 H4* A 228 H4* A 228 18.125 27.797 -18.983 737 H3* A 228 H3* A 228 18.730 28.779 -16.203 738 H2* A 228 H2* A 228 17.872 30.915 -16.788 739 2HO* A 228 2HO* A 228 17.109 30.296 -19.364 740 H1* A 228 H1* A 228 15.556 29.852 -17.968 741 H8 A 228 H8 A 228 16.314 27.894 -14.913 742 1H6 A 228 1H6 A 228 13.332 32.306 -11.659 743 2H6 A 228 2H6 A 228 14.035 30.707 -11.565 744 H2 A 228 H2 A 228 13.890 33.781 -15.813 745 1H5* G 229 1H5* G 229 20.585 31.886 -19.159 746 2H5* G 229 2H5* G 229 22.053 32.303 -18.277 747 H4* G 229 H4* G 229 20.687 34.262 -18.925 748 H3* G 229 H3* G 229 21.304 33.734 -16.033 749 H2* G 229 H2* G 229 20.246 35.783 -15.432 750 2HO* G 229 2HO* G 229 19.294 36.733 -17.693 751 H1* G 229 H1* G 229 17.941 35.222 -16.902 752 H8 G 229 H8 G 229 18.981 31.988 -15.499 753 H1 G 229 H1 G 229 16.162 35.791 -11.086 754 1H2 G 229 1H2 G 229 15.996 37.706 -11.833 755 2H2 G 229 2H2 G 229 16.539 38.207 -13.418 756 1H5* G 230 1H5* G 230 22.693 38.127 -16.846 757 2H5* G 230 2H5* G 230 24.147 38.149 -15.849 758 H4* G 230 H4* G 230 22.525 39.974 -15.360 759 H3* G 230 H3* G 230 23.416 38.071 -13.214 760 H2* G 230 H2* G 230 22.193 39.321 -11.596 761 2HO* G 230 2HO* G 230 21.052 41.115 -13.356 762 H1* G 230 H1* G 230 19.855 39.333 -13.119 763 H8 G 230 H8 G 230 21.347 36.022 -13.691 764 H1 G 230 H1 G 230 18.477 36.463 -7.907 765 1H2 G 230 1H2 G 230 18.046 38.438 -7.501 766 2H2 G 230 2H2 G 230 18.408 39.776 -8.569 767 1H5* G 231 1H5* G 231 23.818 42.091 -11.720 768 2H5* G 231 2H5* G 231 25.486 42.283 -11.179 769 H4* G 231 H4* G 231 24.131 43.137 -9.453 770 H3* G 231 H3* G 231 25.298 40.449 -8.825 771 H2* G 231 H2* G 231 24.295 40.483 -6.664 772 2HO* G 231 2HO* G 231 23.023 42.948 -7.224 773 H1* G 231 H1* G 231 21.769 41.127 -7.658 774 H8 G 231 H8 G 231 23.388 38.818 -10.071 775 H1 G 231 H1 G 231 20.853 35.772 -4.955 776 1H2 G 231 1H2 G 231 20.326 37.157 -3.520 777 2H2 G 231 2H2 G 231 20.539 38.886 -3.680 778 1H5* C 232 1H5* C 232 26.052 42.943 -5.658 779 2H5* C 232 2H5* C 232 27.679 42.885 -4.979 780 H4* C 232 H4* C 232 26.172 42.454 -3.206 781 H3* C 232 H3* C 232 27.631 40.005 -4.157 782 H2* C 232 H2* C 232 26.619 38.724 -2.433 783 2HO* C 232 2HO* C 232 25.195 41.002 -1.520 784 H1* C 232 H1* C 232 24.048 39.747 -2.962 785 1H4 C 232 1H4 C 232 24.251 34.173 -6.076 786 2H4 C 232 2H4 C 232 25.075 34.961 -7.402 787 H5 C 232 H5 C 232 25.794 37.210 -7.355 788 H6 C 232 H6 C 232 25.900 39.278 -6.010 789 1H5* A 233 1H5* A 233 27.911 40.077 0.042 790 2H5* A 233 2H5* A 233 29.612 40.034 0.504 791 H4* A 233 H4* A 233 28.578 38.403 1.824 792 H3* A 233 H3* A 233 30.042 37.182 -0.499 793 H2* A 233 H2* A 233 29.508 35.007 0.303 794 2HO* A 233 2HO* A 233 28.055 35.344 2.433 795 H1* A 233 H1* A 233 26.800 35.597 0.644 796 H8 A 233 H8 A 233 28.220 37.280 -2.396 797 1H6 A 233 1H6 A 233 26.770 32.079 -5.525 798 2H6 A 233 2H6 A 233 27.330 33.727 -5.697 799 H2 A 233 H2 A 233 26.140 31.316 -1.193 800 1H5* G 234 1H5* G 234 31.538 35.190 3.062 801 2H5* G 234 2H5* G 234 33.300 35.213 2.994 802 H4* G 234 H4* G 234 32.620 32.976 3.420 803 H3* G 234 H3* G 234 33.667 33.446 0.646 804 H2* G 234 H2* G 234 33.464 31.121 0.167 805 2HO* G 234 2HO* G 234 32.453 29.978 2.234 806 H1* G 234 H1* G 234 30.831 30.987 1.082 807 H8 G 234 H8 G 234 31.364 34.263 -0.610 808 H1 G 234 H1 G 234 30.205 29.408 -4.729 809 1H2 G 234 1H2 G 234 30.286 27.612 -3.718 810 2H2 G 234 2H2 G 234 30.619 27.447 -2.008 811 1H GLY 15 1H GLY 15 1.811 -0.001 0.854 812 1HA GLY 15 1HA GLY 15 2.133 -1.011 -1.618 813 2HA GLY 15 2HA GLY 15 1.541 0.606 -1.968 814 H ARG 16 H ARG 16 4.181 -1.271 -0.666 815 HA ARG 16 HA ARG 16 5.815 0.995 -0.022 816 1HB ARG 16 2HB ARG 16 6.370 -1.958 -0.255 817 2HB ARG 16 3HB ARG 16 7.635 -0.790 0.106 818 1HG ARG 16 2HG ARG 16 7.004 -1.561 2.195 819 2HG ARG 16 3HG ARG 16 6.106 -0.050 2.037 820 1HD ARG 16 2HD ARG 16 4.089 -1.117 1.788 821 2HD ARG 16 3HD ARG 16 4.823 -2.577 1.126 822 HE ARG 16 HE ARG 16 4.895 -3.413 3.241 823 1HH1 ARG 16 2HH1 ARG 16 4.744 0.060 3.436 824 2HH1 ARG 16 1HH1 ARG 16 4.640 0.089 5.165 825 1HH2 ARG 16 2HH2 ARG 16 4.759 -3.388 5.518 826 2HH2 ARG 16 1HH2 ARG 16 4.649 -1.873 6.349 827 H ALA 17 H ALA 17 5.426 2.006 -2.188 828 HA ALA 17 HA ALA 17 6.973 0.865 -4.377 829 1HB ALA 17 1HB ALA 17 5.227 3.316 -4.215 830 2HB ALA 17 2HB ALA 17 6.090 2.803 -5.665 831 3HB ALA 17 3HB ALA 17 4.837 1.773 -4.974 832 H ARG 18 H ARG 18 7.946 2.296 -1.751 833 HA ARG 18 HA ARG 18 9.259 4.640 -2.293 834 1HB ARG 18 2HB ARG 18 9.326 2.703 -0.263 835 2HB ARG 18 3HB ARG 18 10.995 2.891 -0.785 836 1HG ARG 18 2HG ARG 18 9.278 5.257 -0.121 837 2HG ARG 18 3HG ARG 18 10.170 4.371 1.118 838 1HD ARG 18 2HD ARG 18 12.172 5.158 0.428 839 2HD ARG 18 3HD ARG 18 11.712 5.137 -1.274 840 HE ARG 18 HE ARG 18 10.318 7.175 0.113 841 1HH1 ARG 18 2HH1 ARG 18 13.450 6.375 -1.177 842 2HH1 ARG 18 1HH1 ARG 18 13.912 8.025 -1.430 843 1HH2 ARG 18 2HH2 ARG 18 10.914 9.352 -0.215 844 2HH2 ARG 18 1HH2 ARG 18 12.469 9.718 -0.881 845 H GLY 19 H GLY 19 10.902 5.265 -3.551 846 1HA GLY 19 1HA GLY 19 13.129 4.861 -4.433 847 2HA GLY 19 2HA GLY 19 12.669 3.180 -4.665 848 H LEU 20 H LEU 20 9.995 4.074 -5.702 849 HA LEU 20 HA LEU 20 10.910 4.832 -8.397 850 1HB LEU 20 2HB LEU 20 9.247 2.697 -7.457 851 2HB LEU 20 3HB LEU 20 8.321 3.736 -8.538 852 HG LEU 20 HG LEU 20 10.872 3.171 -9.713 853 1HD1 LEU 20 1HD1 LEU 20 10.891 0.835 -9.872 854 2HD1 LEU 20 2HD1 LEU 20 9.276 0.686 -9.180 855 3HD1 LEU 20 3HD1 LEU 20 10.632 1.165 -8.158 856 1HD2 LEU 20 1HD2 LEU 20 7.993 2.925 -10.350 857 2HD2 LEU 20 2HD2 LEU 20 9.109 1.934 -11.290 858 3HD2 LEU 20 3HD2 LEU 20 9.297 3.688 -11.259 859 H CYS 21 H CYS 21 10.403 6.911 -8.980 860 HA CYS 21 HA CYS 21 8.539 8.389 -7.484 861 1HB CYS 21 2HB CYS 21 10.511 9.361 -8.664 862 2HB CYS 21 3HB CYS 21 9.728 9.045 -10.200 863 H TYR 22 H TYR 22 6.492 9.112 -8.140 864 HA TYR 22 HA TYR 22 5.180 7.463 -10.197 865 1HB TYR 22 2HB TYR 22 4.045 6.893 -8.275 866 2HB TYR 22 3HB TYR 22 4.289 8.470 -7.533 867 HD1 TYR 22 HD1 TYR 22 2.522 6.982 -10.476 868 HD2 TYR 22 HD2 TYR 22 2.442 9.831 -7.317 869 HE1 TYR 22 HE1 TYR 22 0.242 7.633 -11.130 870 HE2 TYR 22 HE2 TYR 22 0.161 10.489 -7.961 871 HH TYR 22 HH TYR 22 -1.300 10.422 -9.885 872 H THR 23 H THR 23 5.871 10.672 -9.134 873 HA THR 23 HA THR 23 3.857 12.066 -10.541 874 HB THR 23 HB THR 23 6.619 12.998 -9.731 875 HG1 THR 23 HG1 THR 23 4.093 13.419 -8.478 876 1HG2 THR 23 1HG2 THR 23 4.414 14.315 -11.157 877 2HG2 THR 23 2HG2 THR 23 6.123 14.739 -11.073 878 3HG2 THR 23 3HG2 THR 23 5.032 15.212 -9.771 879 H CYS 24 H CYS 24 7.201 11.036 -11.460 880 HA CYS 24 HA CYS 24 6.541 11.946 -14.166 881 1HB CYS 24 2HB CYS 24 8.950 12.098 -14.582 882 2HB CYS 24 3HB CYS 24 8.473 13.122 -13.242 883 H GLY 25 H GLY 25 7.846 9.412 -12.094 884 1HA GLY 25 1HA GLY 25 7.333 7.100 -12.469 885 2HA GLY 25 2HA GLY 25 7.266 7.433 -14.193 886 H SER 26 H SER 26 9.800 8.501 -11.991 887 HA SER 26 HA SER 26 11.658 6.651 -13.334 888 1HB SER 26 2HB SER 26 11.736 9.572 -13.141 889 2HB SER 26 3HB SER 26 13.229 8.802 -12.607 890 HG SER 26 HG SER 26 12.817 7.530 -14.716 891 HA PRO 27 HA PRO 27 12.535 5.372 -9.184 892 1HB PRO 27 2HB PRO 27 14.667 3.799 -9.773 893 2HB PRO 27 3HB PRO 27 12.998 3.313 -10.092 894 1HG PRO 27 2HG PRO 27 15.031 4.453 -11.971 895 2HG PRO 27 3HG PRO 27 13.893 3.118 -12.230 896 1HD PRO 27 2HD PRO 27 13.447 5.617 -13.173 897 2HD PRO 27 3HD PRO 27 12.131 4.539 -12.665 898 H GLY 28 H GLY 28 14.387 5.372 -7.669 899 1HA GLY 28 1HA GLY 28 16.547 6.133 -7.021 900 2HA GLY 28 2HA GLY 28 16.560 7.196 -8.420 901 H HIS 29 H HIS 29 13.784 8.097 -7.808 902 HA HIS 29 HA HIS 29 14.144 9.548 -5.303 903 1HB HIS 29 2HB HIS 29 13.894 11.714 -6.255 904 2HB HIS 29 3HB HIS 29 15.149 10.907 -7.191 905 HD1 HIS 29 HD1 HIS 29 14.776 10.701 -9.664 906 HD2 HIS 29 HD2 HIS 29 11.354 11.885 -7.627 907 HE1 HIS 29 HE1 HIS 29 13.109 11.308 -11.447 908 H TYR 30 H TYR 30 12.126 11.040 -4.984 909 HA TYR 30 HA TYR 30 9.734 9.608 -5.935 910 1HB TYR 30 2HB TYR 30 10.707 9.774 -3.265 911 2HB TYR 30 3HB TYR 30 9.232 10.730 -3.358 912 HD1 TYR 30 HD1 TYR 30 10.400 7.460 -4.762 913 HD2 TYR 30 HD2 TYR 30 7.355 9.587 -2.687 914 HE1 TYR 30 HE1 TYR 30 9.064 5.400 -4.622 915 HE2 TYR 30 HE2 TYR 30 6.011 7.533 -2.541 916 HH TYR 30 HH TYR 30 5.827 5.404 -3.173 917 H GLN 31 H GLN 31 7.707 11.011 -5.201 918 HA GLN 31 HA GLN 31 7.590 13.237 -6.804 919 1HB GLN 31 2HB GLN 31 5.629 12.064 -5.833 920 2HB GLN 31 3HB GLN 31 5.988 12.802 -4.278 921 1HG GLN 31 2HG GLN 31 5.264 14.864 -4.927 922 2HG GLN 31 3HG GLN 31 5.638 14.583 -6.626 923 1HE2 GLN 31 1HE2 GLN 31 3.285 15.727 -6.005 924 2HE2 GLN 31 2HE2 GLN 31 1.981 14.625 -6.269 925 H ALA 32 H ALA 32 8.344 13.096 -3.347 926 HA ALA 32 HA ALA 32 8.448 15.825 -2.811 927 1HB ALA 32 1HB ALA 32 8.521 14.142 -1.060 928 2HB ALA 32 2HB ALA 32 10.118 13.623 -1.604 929 3HB ALA 32 3HB ALA 32 9.898 15.236 -0.925 930 H GLN 33 H GLN 33 10.746 13.746 -4.420 931 HA GLN 33 HA GLN 33 12.529 16.065 -4.774 932 1HB GLN 33 2HB GLN 33 13.280 13.877 -3.465 933 2HB GLN 33 3HB GLN 33 13.576 13.295 -5.098 934 1HG GLN 33 2HG GLN 33 15.040 15.216 -5.507 935 2HG GLN 33 3HG GLN 33 14.762 15.767 -3.856 936 1HE2 GLN 33 1HE2 GLN 33 17.175 14.798 -5.395 937 2HE2 GLN 33 2HE2 GLN 33 17.880 13.603 -4.365 938 H CYS 34 H CYS 34 10.183 15.306 -6.461 939 HA CYS 34 HA CYS 34 11.294 14.062 -8.772 940 1HB CYS 34 2HB CYS 34 8.889 13.867 -8.099 941 2HB CYS 34 3HB CYS 34 8.669 15.560 -8.494 942 HA PRO 35 HA PRO 35 13.170 17.831 -10.247 943 1HB PRO 35 2HB PRO 35 13.875 16.869 -12.686 944 2HB PRO 35 3HB PRO 35 14.746 16.460 -11.203 945 1HG PRO 35 2HG PRO 35 12.671 14.884 -12.677 946 2HG PRO 35 3HG PRO 35 14.189 14.328 -11.947 947 1HD PRO 35 2HD PRO 35 11.787 14.005 -10.739 948 2HD PRO 35 3HD PRO 35 13.289 14.257 -9.826 949 H LYS 36 H LYS 36 10.403 16.274 -11.522 950 HA LYS 36 HA LYS 36 9.945 18.370 -13.513 951 1HB LYS 36 2HB LYS 36 9.590 15.912 -14.035 952 2HB LYS 36 3HB LYS 36 8.207 15.968 -12.950 953 1HG LYS 36 2HG LYS 36 6.915 16.853 -14.519 954 2HG LYS 36 3HG LYS 36 8.099 18.112 -14.875 955 1HD LYS 36 2HD LYS 36 9.304 15.986 -16.016 956 2HD LYS 36 3HD LYS 36 7.611 15.528 -16.214 957 1HE LYS 36 2HE LYS 36 8.435 18.301 -16.920 958 2HE LYS 36 3HE LYS 36 8.861 16.990 -18.019 959 1HZ LYS 36 1HZ LYS 36 6.171 16.713 -17.248 960 2HZ LYS 36 2HZ LYS 36 6.802 16.992 -18.792 961 3HZ LYS 36 3HZ LYS 36 6.415 18.297 -17.788 962 H LYS 37 H LYS 37 9.462 18.008 -10.314 963 HA LYS 37 HA LYS 37 6.788 18.627 -9.839 964 1HB LYS 37 2HB LYS 37 9.335 18.981 -8.348 965 2HB LYS 37 3HB LYS 37 7.949 19.913 -7.795 966 1HG LYS 37 2HG LYS 37 7.150 17.207 -8.257 967 2HG LYS 37 3HG LYS 37 8.579 17.238 -7.221 968 1HD LYS 37 2HD LYS 37 7.008 17.499 -5.604 969 2HD LYS 37 3HD LYS 37 7.171 19.196 -6.062 970 1HE LYS 37 2HE LYS 37 5.237 17.595 -7.619 971 2HE LYS 37 3HE LYS 37 4.815 17.908 -5.937 972 1HZ LYS 37 1HZ LYS 37 4.041 19.839 -6.693 973 2HZ LYS 37 2HZ LYS 37 4.842 19.701 -8.177 974 3HZ LYS 37 3HZ LYS 37 5.656 20.324 -6.831 975 H ARG 38 H ARG 38 5.736 20.210 -10.868 976 HA ARG 38 HA ARG 38 6.409 22.936 -10.350 977 1HB ARG 38 2HB ARG 38 7.519 21.770 -12.688 978 2HB ARG 38 3HB ARG 38 6.234 22.854 -13.204 979 1HG ARG 38 2HG ARG 38 7.376 24.531 -11.566 980 2HG ARG 38 3HG ARG 38 8.772 23.471 -11.771 981 1HD ARG 38 2HD ARG 38 8.850 25.302 -13.366 982 2HD ARG 38 3HD ARG 38 8.629 23.765 -14.200 983 HE ARG 38 HE ARG 38 6.103 24.831 -13.761 984 1HH1 ARG 38 2HH1 ARG 38 8.990 25.637 -15.530 985 2HH1 ARG 38 1HH1 ARG 38 8.145 26.497 -16.774 986 1HH2 ARG 38 2HH2 ARG 38 4.978 25.961 -15.393 987 2HH2 ARG 38 1HH2 ARG 38 5.863 26.681 -16.694 988 H LYS 39 H LYS 39 4.736 21.218 -12.992 989 HA LYS 39 HA LYS 39 2.197 22.322 -12.004 990 1HB LYS 39 2HB LYS 39 3.528 23.054 -14.413 991 2HB LYS 39 3HB LYS 39 2.092 22.138 -14.850 992 1HG LYS 39 2HG LYS 39 1.147 23.844 -12.923 993 2HG LYS 39 3HG LYS 39 2.340 24.831 -13.771 994 1HD LYS 39 2HD LYS 39 0.389 23.217 -15.352 995 2HD LYS 39 3HD LYS 39 -0.143 24.726 -14.607 996 1HE LYS 39 2HE LYS 39 1.954 25.745 -15.711 997 2HE LYS 39 3HE LYS 39 1.952 24.291 -16.708 998 1HZ LYS 39 1HZ LYS 39 0.273 25.063 -17.918 999 2HZ LYS 39 2HZ LYS 39 0.539 26.568 -17.193 1000 3HZ LYS 39 3HZ LYS 39 -0.627 25.519 -16.559 1001 H SER 40 H SER 40 0.424 21.274 -13.698 1002 HA SER 40 HA SER 40 -0.758 19.392 -14.183 1003 1HB SER 40 2HB SER 40 1.281 19.056 -15.684 1004 2HB SER 40 3HB SER 40 1.882 17.952 -14.447 1005 HG SER 40 HG SER 40 -0.134 17.613 -16.287 1006 H GLY 41 H GLY 41 -0.593 19.908 -11.535 1007 1HA GLY 41 1HA GLY 41 -0.357 17.202 -10.378 1008 2HA GLY 41 2HA GLY 41 0.235 18.616 -9.518 1009 H ASN 42 H ASN 42 -1.242 20.076 -8.610 1010 HA ASN 42 HA ASN 42 -4.079 19.546 -8.815 1011 1HB ASN 42 2HB ASN 42 -2.486 18.916 -6.350 1012 2HB ASN 42 3HB ASN 42 -4.161 19.441 -6.207 1013 1HD2 ASN 42 1HD2 ASN 42 -2.247 16.816 -6.333 1014 2HD2 ASN 42 2HD2 ASN 42 -3.368 15.651 -6.942 1015 H SER 43 H SER 43 -1.792 21.151 -6.592 1016 HA SER 43 HA SER 43 -1.649 23.295 -5.844 1017 1HB SER 43 2HB SER 43 -3.100 24.067 -8.382 1018 2HB SER 43 3HB SER 43 -2.008 25.067 -7.423 1019 HG SER 43 HG SER 43 -1.344 23.638 -9.461 1020 H ARG 44 H ARG 44 -2.945 23.281 -4.065 1021 HA ARG 44 HA ARG 44 -5.813 23.468 -4.283 1022 1HB ARG 44 2HB ARG 44 -3.843 23.221 -2.061 1023 2HB ARG 44 3HB ARG 44 -5.428 23.883 -1.683 1024 1HG ARG 44 2HG ARG 44 -6.517 21.895 -2.428 1025 2HG ARG 44 3HG ARG 44 -5.007 21.250 -3.075 1026 1HD ARG 44 2HD ARG 44 -4.810 21.965 -0.263 1027 2HD ARG 44 3HD ARG 44 -6.058 20.758 -0.570 1028 HE ARG 44 HE ARG 44 -3.243 20.363 -0.670 1029 1HH1 ARG 44 2HH1 ARG 44 -6.247 19.369 -2.123 1030 2HH1 ARG 44 1HH1 ARG 44 -5.651 17.814 -2.601 1031 1HH2 ARG 44 2HH2 ARG 44 -2.448 18.318 -1.294 1032 2HH2 ARG 44 1HH2 ARG 44 -3.490 17.217 -2.129 1033 H GLU 45 H GLU 45 -3.495 25.505 -2.493 1034 HA GLU 45 HA GLU 45 -4.437 27.918 -3.704 1035 1HB GLU 45 2HB GLU 45 -5.322 28.909 -1.581 1036 2HB GLU 45 3HB GLU 45 -6.327 27.638 -2.263 1037 1HG GLU 45 2HG GLU 45 -5.829 26.151 -0.584 1038 2HG GLU 45 3HG GLU 45 -4.306 26.945 -0.187 1039 H ARG 46 H ARG 46 -1.937 26.511 -3.131 1040 HA ARG 46 HA ARG 46 -0.620 28.362 -1.275 1041 1HB ARG 46 2HB ARG 46 -0.405 25.733 -1.256 1042 2HB ARG 46 3HB ARG 46 0.786 26.035 -2.515 1043 1HG ARG 46 2HG ARG 46 2.250 27.050 -1.083 1044 2HG ARG 46 3HG ARG 46 0.977 27.580 0.018 1045 1HD ARG 46 2HD ARG 46 2.482 25.742 0.872 1046 2HD ARG 46 3HD ARG 46 0.750 25.419 0.947 1047 HE ARG 46 HE ARG 46 2.030 24.439 -1.439 1048 1HH1 ARG 46 2HH1 ARG 46 1.179 23.744 1.864 1049 2HH1 ARG 46 1HH1 ARG 46 1.225 22.025 1.651 1050 1HH2 ARG 46 2HH2 ARG 46 2.094 22.178 -1.732 1051 2HH2 ARG 46 1HH2 ARG 46 1.746 21.135 -0.394 1052 H CYS 47 H CYS 47 1.818 28.879 -1.974 1053 HA CYS 47 HA CYS 47 1.714 29.556 -4.823 1054 1HB CYS 47 2HB CYS 47 1.328 31.564 -3.443 1055 2HB CYS 47 3HB CYS 47 2.828 31.277 -2.583 1056 H GLN 48 H GLN 48 3.281 28.506 -5.840 1057 HA GLN 48 HA GLN 48 5.563 27.443 -4.358 1058 1HB GLN 48 2HB GLN 48 3.960 26.393 -6.371 1059 2HB GLN 48 3HB GLN 48 5.465 26.786 -7.191 1060 1HG GLN 48 2HG GLN 48 6.526 25.558 -5.122 1061 2HG GLN 48 3HG GLN 48 4.934 24.805 -5.044 1062 1HE2 GLN 48 1HE2 GLN 48 7.455 25.593 -7.413 1063 2HE2 GLN 48 2HE2 GLN 48 7.326 24.115 -8.298 1064 H LEU 49 H LEU 49 5.347 30.290 -5.011 1065 HA LEU 49 HA LEU 49 7.800 30.536 -6.621 1066 1HB LEU 49 2HB LEU 49 5.246 31.604 -7.186 1067 2HB LEU 49 3HB LEU 49 6.277 32.951 -6.708 1068 HG LEU 49 HG LEU 49 7.380 31.076 -8.718 1069 1HD1 LEU 49 1HD1 LEU 49 6.042 32.847 -10.308 1070 2HD1 LEU 49 2HD1 LEU 49 4.842 32.479 -9.070 1071 3HD1 LEU 49 3HD1 LEU 49 5.562 31.176 -10.014 1072 1HD2 LEU 49 1HD2 LEU 49 7.516 33.973 -8.032 1073 2HD2 LEU 49 2HD2 LEU 49 7.900 33.463 -9.676 1074 3HD2 LEU 49 3HD2 LEU 49 8.818 32.817 -8.315 1075 H CYS 50 H CYS 50 5.812 31.792 -3.906 1076 HA CYS 50 HA CYS 50 8.279 33.008 -2.910 1077 1HB CYS 50 2HB CYS 50 7.200 34.974 -2.209 1078 2HB CYS 50 3HB CYS 50 6.615 34.711 -3.840 1079 H ASN 51 H ASN 51 6.512 30.492 -2.632 1080 HA ASN 51 HA ASN 51 5.888 29.028 -1.007 1081 1HB ASN 51 2HB ASN 51 7.906 30.755 0.338 1082 2HB ASN 51 3HB ASN 51 6.933 29.701 1.360 1083 1HD2 ASN 51 1HD2 ASN 51 9.824 29.830 0.200 1084 2HD2 ASN 51 2HD2 ASN 51 10.120 28.185 -0.239 1085 H GLY 52 H GLY 52 4.410 31.645 -1.469 1086 1HA GLY 52 1HA GLY 52 3.272 32.484 0.979 1087 2HA GLY 52 2HA GLY 52 2.582 32.742 -0.616 1088 H MET 53 H MET 53 1.095 32.170 1.732 1089 HA MET 53 HA MET 53 -0.021 29.544 1.000 1090 1HB MET 53 2HB MET 53 0.212 30.776 3.748 1091 2HB MET 53 3HB MET 53 -0.739 29.340 3.392 1092 1HG MET 53 2HG MET 53 1.454 28.379 2.457 1093 2HG MET 53 3HG MET 53 2.230 29.689 3.344 1094 1HE MET 53 1HE MET 53 1.220 25.708 4.502 1095 2HE MET 53 2HE MET 53 -0.399 26.405 4.569 1096 3HE MET 53 3HE MET 53 0.572 26.568 3.105 1097 H GLY 54 H GLY 54 -1.676 30.237 -0.286 1098 1HA GLY 54 1HA GLY 54 -4.140 30.756 0.492 1099 2HA GLY 54 2HA GLY 54 -3.440 32.355 0.693 1100 H HIS 55 H HIS 55 -1.970 32.860 -1.406 1101 HA HIS 55 HA HIS 55 -3.891 32.899 -3.581 1102 1HB HIS 55 2HB HIS 55 -2.307 34.473 -4.642 1103 2HB HIS 55 3HB HIS 55 -2.759 34.979 -3.017 1104 HD1 HIS 55 HD1 HIS 55 -0.913 34.420 -1.116 1105 HD2 HIS 55 HD2 HIS 55 0.376 34.283 -5.063 1106 HE1 HIS 55 HE1 HIS 55 1.597 34.539 -1.008 1107 H ASN 56 H ASN 56 -2.462 32.948 -5.840 1108 HA ASN 56 HA ASN 56 -1.140 30.315 -5.915 1109 1HB ASN 56 2HB ASN 56 -3.485 30.846 -7.115 1110 2HB ASN 56 3HB ASN 56 -2.392 31.384 -8.387 1111 1HD2 ASN 56 1HD2 ASN 56 -1.660 29.911 -9.743 1112 2HD2 ASN 56 2HD2 ASN 56 -1.699 28.201 -9.498 1113 H ALA 57 H ALA 57 0.579 30.041 -7.413 1114 HA ALA 57 HA ALA 57 2.425 32.120 -7.514 1115 1HB ALA 57 1HB ALA 57 3.185 29.873 -7.701 1116 2HB ALA 57 2HB ALA 57 2.227 29.605 -9.158 1117 3HB ALA 57 3HB ALA 57 3.611 30.697 -9.202 1118 H LYS 58 H LYS 58 0.079 31.044 -9.927 1119 HA LYS 58 HA LYS 58 0.954 32.655 -12.055 1120 1HB LYS 58 2HB LYS 58 -1.470 31.119 -11.387 1121 2HB LYS 58 3HB LYS 58 -1.730 32.460 -12.494 1122 1HG LYS 58 2HG LYS 58 0.485 30.521 -12.994 1123 2HG LYS 58 3HG LYS 58 -1.176 30.108 -13.426 1124 1HD LYS 58 2HD LYS 58 -0.668 31.127 -15.369 1125 2HD LYS 58 3HD LYS 58 -0.984 32.607 -14.460 1126 1HE LYS 58 2HE LYS 58 1.082 33.216 -15.063 1127 2HE LYS 58 3HE LYS 58 1.633 32.071 -13.841 1128 1HZ LYS 58 1HZ LYS 58 1.161 30.552 -16.072 1129 2HZ LYS 58 2HZ LYS 58 2.673 31.030 -15.483 1130 3HZ LYS 58 3HZ LYS 58 1.900 31.950 -16.674 1131 H GLN 59 H GLN 59 -0.750 33.421 -9.169 1132 HA GLN 59 HA GLN 59 -1.308 36.121 -10.209 1133 1HB GLN 59 2HB GLN 59 -3.195 34.456 -9.305 1134 2HB GLN 59 3HB GLN 59 -2.699 35.150 -7.767 1135 1HG GLN 59 2HG GLN 59 -4.429 36.527 -8.403 1136 2HG GLN 59 3HG GLN 59 -3.011 37.419 -8.953 1137 1HE2 GLN 59 1HE2 GLN 59 -5.532 35.194 -10.011 1138 2HE2 GLN 59 2HE2 GLN 59 -5.578 35.738 -11.650 1139 H CYS 60 H CYS 60 1.166 34.822 -8.791 1140 HA CYS 60 HA CYS 60 1.173 36.287 -6.315 1141 1HB CYS 60 2HB CYS 60 2.218 34.074 -6.404 1142 2HB CYS 60 3HB CYS 60 3.323 34.612 -7.654 1143 H ARG 61 H ARG 61 1.912 38.304 -6.147 1144 HA ARG 61 HA ARG 61 4.063 39.422 -7.563 1145 1HB ARG 61 2HB ARG 61 2.828 41.069 -8.952 1146 2HB ARG 61 3HB ARG 61 2.612 39.410 -9.493 1147 1HG ARG 61 2HG ARG 61 0.461 40.113 -9.613 1148 2HG ARG 61 3HG ARG 61 0.479 39.569 -7.935 1149 1HD ARG 61 2HD ARG 61 -0.205 41.608 -7.366 1150 2HD ARG 61 3HD ARG 61 1.393 42.191 -7.831 1151 HE ARG 61 HE ARG 61 0.436 43.196 -9.640 1152 1HH1 ARG 61 2HH1 ARG 61 -1.706 40.704 -8.491 1153 2HH1 ARG 61 1HH1 ARG 61 -2.980 41.110 -9.593 1154 1HH2 ARG 61 2HH2 ARG 61 -1.234 43.740 -11.095 1155 2HH2 ARG 61 1HH2 ARG 61 -2.710 42.837 -11.074 1156 H LYS 62 H LYS 62 4.198 41.836 -7.216 1157 HA LYS 62 HA LYS 62 2.852 42.555 -4.693 1158 1HB LYS 62 2HB LYS 62 5.511 42.157 -4.963 1159 2HB LYS 62 3HB LYS 62 5.421 43.866 -5.364 1160 1HG LYS 62 2HG LYS 62 3.948 43.043 -2.952 1161 2HG LYS 62 3HG LYS 62 5.707 42.921 -2.865 1162 1HD LYS 62 2HD LYS 62 5.960 45.239 -3.410 1163 2HD LYS 62 3HD LYS 62 4.237 45.397 -3.761 1164 1HE LYS 62 2HE LYS 62 5.158 44.512 -1.055 1165 2HE LYS 62 3HE LYS 62 5.161 46.223 -1.479 1166 1HZ LYS 62 1HZ LYS 62 3.094 45.903 -0.525 1167 2HZ LYS 62 2HZ LYS 62 2.867 44.386 -1.237 1168 3HZ LYS 62 3HZ LYS 62 2.748 45.787 -2.177 1169 H ARG 63 H ARG 63 2.260 44.734 -4.387 1170 HA ARG 63 HA ARG 63 2.079 46.285 -6.887 1171 1HB ARG 63 2HB ARG 63 0.129 45.772 -4.699 1172 2HB ARG 63 3HB ARG 63 0.105 47.363 -5.448 1173 1HG ARG 63 2HG ARG 63 0.169 45.713 -7.622 1174 2HG ARG 63 3HG ARG 63 -0.804 44.789 -6.475 1175 1HD ARG 63 2HD ARG 63 -1.756 47.383 -6.246 1176 2HD ARG 63 3HD ARG 63 -1.469 47.180 -7.974 1177 HE ARG 63 HE ARG 63 -2.859 44.951 -6.897 1178 1HH1 ARG 63 2HH1 ARG 63 -3.281 48.258 -7.899 1179 2HH1 ARG 63 1HH1 ARG 63 -4.959 48.064 -8.284 1180 1HH2 ARG 63 2HH2 ARG 63 -5.068 44.683 -7.400 1181 2HH2 ARG 63 1HH2 ARG 63 -5.975 46.031 -7.999 1182 H ASP 64 H ASP 64 1.560 47.092 -3.463 1183 HA ASP 64 HA ASP 64 3.402 49.362 -3.816 1184 1HB ASP 64 2HB ASP 64 0.992 49.852 -3.249 1185 2HB ASP 64 3HB ASP 64 1.269 49.067 -1.696 Start of MODEL 2 1 1H5* C 160 1H5* C 160 20.605 27.584 -21.676 2 2H5* C 160 2H5* C 160 19.924 26.806 -20.247 3 H4* C 160 H4* C 160 22.328 26.582 -20.255 4 H3* C 160 H3* C 160 21.161 28.334 -18.105 5 H2* C 160 H2* C 160 23.317 28.554 -17.133 6 2HO* C 160 2HO* C 160 24.747 26.941 -17.573 7 H1* C 160 H1* C 160 24.548 29.122 -19.598 8 1H4 C 160 1H4 C 160 23.372 34.776 -16.821 9 2H4 C 160 2H4 C 160 21.845 34.824 -17.675 10 H5 C 160 H5 C 160 20.998 33.031 -18.958 11 H6 C 160 H6 C 160 21.412 30.727 -19.746 12 1H5* U 161 1H5* U 161 23.176 25.014 -15.676 13 2H5* U 161 2H5* U 161 22.150 24.916 -14.245 14 H4* U 161 H4* U 161 24.538 25.442 -13.777 15 H3* U 161 H3* U 161 22.349 27.296 -12.867 16 H2* U 161 H2* U 161 23.957 28.602 -11.706 17 2HO* U 161 2HO* U 161 25.550 27.340 -10.951 18 H1* U 161 H1* U 161 25.723 28.668 -13.894 19 H3 U 161 H3 U 161 24.013 32.888 -13.215 20 H5 U 161 H5 U 161 21.262 30.938 -15.698 21 H6 U 161 H6 U 161 22.501 28.864 -15.276 22 1H5* G 162 1H5* G 162 24.600 26.229 -9.332 23 2H5* G 162 2H5* G 162 23.464 25.665 -8.108 24 H4* G 162 H4* G 162 24.846 27.262 -7.058 25 H3* G 162 H3* G 162 22.091 28.285 -7.662 26 H2* G 162 H2* G 162 22.607 30.354 -6.598 27 2HO* G 162 2HO* G 162 25.093 30.216 -5.871 28 H1* G 162 H1* G 162 24.982 30.693 -8.022 29 H8 G 162 H8 G 162 22.537 29.151 -10.336 30 H1 G 162 H1 G 162 21.631 35.516 -9.594 31 1H2 G 162 1H2 G 162 22.772 36.195 -8.016 32 2H2 G 162 2H2 G 162 23.818 35.189 -7.038 33 1H5* C 163 1H5* C 163 22.833 28.926 -3.527 34 2H5* C 163 2H5* C 163 21.431 28.588 -2.513 35 H4* C 163 H4* C 163 22.197 30.834 -2.117 36 H3* C 163 H3* C 163 19.535 30.558 -3.481 37 H2* C 163 H2* C 163 19.248 32.913 -3.433 38 2HO* C 163 2HO* C 163 20.348 33.984 -1.861 39 H1* C 163 H1* C 163 21.865 33.401 -4.380 40 1H4 C 163 1H4 C 163 18.141 33.868 -9.549 41 2H4 C 163 2H4 C 163 18.168 32.125 -9.707 42 H5 C 163 H5 C 163 19.170 30.677 -8.133 43 H6 C 163 H6 C 163 20.404 30.542 -5.999 44 1H5* C 164 1H5* C 164 18.159 32.882 0.501 45 2H5* C 164 2H5* C 164 16.700 31.912 0.703 46 H4* C 164 H4* C 164 16.260 34.338 0.645 47 H3* C 164 H3* C 164 15.015 32.560 -1.439 48 H2* C 164 H2* C 164 13.776 34.414 -2.260 49 2HO* C 164 2HO* C 164 14.079 36.444 -0.943 50 H1* C 164 H1* C 164 16.016 36.100 -2.328 51 1H4 C 164 1H4 C 164 15.434 33.668 -8.226 52 2H4 C 164 2H4 C 164 16.523 32.382 -7.753 53 H5 C 164 H5 C 164 17.309 32.066 -5.549 54 H6 C 164 H6 C 164 17.242 32.915 -3.231 55 1H5* C 165 1H5* C 165 12.204 34.809 0.375 56 2H5* C 165 2H5* C 165 10.756 34.006 0.982 57 H4* C 165 H4* C 165 9.956 35.778 -0.310 58 H3* C 165 H3* C 165 9.793 33.171 -1.782 59 H2* C 165 H2* C 165 8.801 34.248 -3.651 60 2HO* C 165 2HO* C 165 8.976 36.761 -2.348 61 H1* C 165 H1* C 165 10.713 36.316 -3.671 62 1H4 C 165 1H4 C 165 12.817 32.160 -8.037 63 2H4 C 165 2H4 C 165 13.497 31.177 -6.760 64 H5 C 165 H5 C 165 13.204 31.623 -4.459 65 H6 C 165 H6 C 165 12.174 33.135 -2.800 66 1H5* U 166 1H5* U 166 5.798 34.890 -1.636 67 2H5* U 166 2H5* U 166 4.522 33.701 -1.903 68 H4* U 166 H4* U 166 4.761 35.460 -3.678 69 H3* U 166 H3* U 166 4.836 32.524 -4.331 70 H2* U 166 H2* U 166 4.895 33.054 -6.648 71 2HO* U 166 2HO* U 166 3.549 34.804 -6.740 72 H1* U 166 H1* U 166 6.941 34.943 -6.343 73 H3 U 166 H3 U 166 8.476 31.155 -8.523 74 H5 U 166 H5 U 166 9.173 30.533 -4.440 75 H6 U 166 H6 U 166 7.807 32.522 -4.005 76 1H5* C 167 1H5* C 167 0.398 33.278 -5.412 77 2H5* C 167 2H5* C 167 -0.398 31.792 -4.897 78 H4* C 167 H4* C 167 -0.392 32.144 -7.353 79 H3* C 167 H3* C 167 0.846 29.676 -6.165 80 H2* C 167 H2* C 167 1.229 28.820 -8.346 81 2HO* C 167 2HO* C 167 -0.201 29.510 -9.838 82 H1* C 167 H1* C 167 2.308 31.244 -9.287 83 1H4 C 167 1H4 C 167 7.307 27.587 -7.659 84 2H4 C 167 2H4 C 167 7.238 28.280 -6.054 85 H5 C 167 H5 C 167 5.527 29.731 -5.319 86 H6 C 167 H6 C 167 3.438 30.888 -5.951 87 1H5* A 168 1H5* A 168 -4.334 27.599 -7.057 88 2H5* A 168 2H5* A 168 -4.044 29.339 -7.060 89 H4* A 168 H4* A 168 -4.419 28.571 -4.356 90 H3* A 168 H3* A 168 -6.369 27.220 -6.220 91 H2* A 168 H2* A 168 -8.081 27.574 -4.612 92 2HO* A 168 2HO* A 168 -6.821 27.127 -2.792 93 H1* A 168 H1* A 168 -7.266 30.265 -4.184 94 H8 A 168 H8 A 168 -7.943 28.242 -7.384 95 1H6 A 168 1H6 A 168 -12.813 32.070 -8.150 96 2H6 A 168 2H6 A 168 -11.956 30.710 -8.841 97 H2 A 168 H2 A 168 -10.701 33.235 -4.418 98 1H5* U 169 1H5* U 169 -8.883 23.682 -5.247 99 2H5* U 169 2H5* U 169 -7.642 23.271 -6.431 100 H4* U 169 H4* U 169 -9.561 25.532 -6.936 101 H3* U 169 H3* U 169 -10.169 22.603 -7.126 102 H2* U 169 H2* U 169 -11.349 22.945 -9.163 103 2HO* U 169 2HO* U 169 -12.121 24.976 -9.501 104 H1* U 169 H1* U 169 -9.308 24.401 -10.348 105 H3 U 169 H3 U 169 -9.368 20.209 -12.227 106 H5 U 169 H5 U 169 -6.922 19.881 -8.844 107 H6 U 169 H6 U 169 -7.657 22.134 -8.216 108 1H5* C 170 1H5* C 170 -13.257 23.090 -2.933 109 2H5* C 170 2H5* C 170 -13.208 24.435 -4.073 110 H4* C 170 H4* C 170 -10.555 23.421 -3.791 111 H3* C 170 H3* C 170 -12.017 23.723 -1.169 112 H2* C 170 H2* C 170 -10.030 24.586 -0.208 113 2HO* C 170 2HO* C 170 -8.763 23.016 -1.393 114 H1* C 170 H1* C 170 -9.521 26.257 -2.452 115 1H4 C 170 1H4 C 170 -12.465 30.587 1.158 116 2H4 C 170 2H4 C 170 -13.343 29.331 2.000 117 H5 C 170 H5 C 170 -13.188 27.034 1.470 118 H6 C 170 H6 C 170 -12.140 25.363 -0.014 119 1H5* C 171 1H5* C 171 -9.730 19.690 -1.989 120 2H5* C 171 2H5* C 171 -10.156 18.282 -1.017 121 H4* C 171 H4* C 171 -7.884 18.777 -0.571 122 H3* C 171 H3* C 171 -9.714 19.600 1.679 123 H2* C 171 H2* C 171 -7.800 20.101 2.996 124 2HO* C 171 2HO* C 171 -5.880 19.526 1.121 125 H1* C 171 H1* C 171 -6.558 21.495 0.861 126 1H4 C 171 1H4 C 171 -9.062 26.049 4.578 127 2H4 C 171 2H4 C 171 -10.613 25.800 3.808 128 H5 C 171 H5 C 171 -11.043 24.089 2.237 129 H6 C 171 H6 C 171 -10.080 22.178 1.005 130 1H5* G 172 1H5* G 172 -7.060 16.342 3.810 131 2H5* G 172 2H5* G 172 -8.391 15.473 4.574 132 H4* G 172 H4* G 172 -6.812 15.984 6.268 133 H3* G 172 H3* G 172 -9.302 17.662 6.384 134 H2* G 172 H2* G 172 -8.529 18.665 8.403 135 2HO* G 172 2HO* G 172 -6.181 17.675 8.875 136 H1* G 172 H1* G 172 -6.016 19.259 7.346 137 H8 G 172 H8 G 172 -8.800 19.625 4.834 138 H1 G 172 H1 G 172 -7.764 24.905 8.429 139 1H2 G 172 1H2 G 172 -6.431 24.461 9.939 140 2H2 G 172 2H2 G 172 -5.703 22.890 10.192 141 1H5* U 173 1H5* U 173 -8.463 16.137 10.023 142 2H5* U 173 2H5* U 173 -9.770 15.299 10.858 143 H4* U 173 H4* U 173 -8.901 16.832 12.411 144 H3* U 173 H3* U 173 -11.490 17.779 11.215 145 H2* U 173 H2* U 173 -11.462 19.673 12.647 146 2HO* U 173 2HO* U 173 -10.123 19.582 14.453 147 H1* U 173 H1* U 173 -8.776 20.274 12.075 148 H3 U 173 H3 U 173 -11.218 23.625 10.171 149 H5 U 173 H5 U 173 -11.488 20.445 7.459 150 H6 U 173 H6 U 173 -10.394 19.042 9.146 151 1H5* C 174 1H5* C 174 -11.985 18.082 15.227 152 2H5* C 174 2H5* C 174 -13.385 17.211 15.853 153 H4* C 174 H4* C 174 -13.610 19.363 16.715 154 H3* C 174 H3* C 174 -15.384 18.952 14.333 155 H2* C 174 H2* C 174 -16.245 21.155 14.549 156 2HO* C 174 2HO* C 174 -16.328 21.678 16.654 157 H1* C 174 H1* C 174 -13.643 22.255 14.883 158 1H4 C 174 1H4 C 174 -15.065 23.489 8.790 159 2H4 C 174 2H4 C 174 -14.776 21.812 8.382 160 H5 C 174 H5 C 174 -14.282 20.137 9.971 161 H6 C 174 H6 C 174 -13.940 19.652 12.368 162 1H5* U 175 1H5* U 175 -17.824 15.876 18.299 163 2H5* U 175 2H5* U 175 -18.019 15.161 16.698 164 H4* U 175 H4* U 175 -20.180 16.566 16.554 165 H3* U 175 H3* U 175 -19.481 16.973 19.431 166 H2* U 175 H2* U 175 -21.738 16.645 20.100 167 2HO* U 175 2HO* U 175 -22.914 17.547 18.485 168 H1* U 175 H1* U 175 -22.022 14.296 18.591 169 H3 U 175 H3 U 175 -22.039 12.818 22.884 170 H5 U 175 H5 U 175 -18.009 13.651 22.109 171 H6 U 175 H6 U 175 -18.724 14.628 19.977 172 1H5* C 176 1H5* C 176 -18.464 21.336 17.154 173 2H5* C 176 2H5* C 176 -18.364 21.639 18.888 174 H4* C 176 H4* C 176 -19.683 23.542 18.774 175 H3* C 176 H3* C 176 -20.910 22.345 16.324 176 H2* C 176 H2* C 176 -21.380 24.500 15.434 177 2HO* C 176 2HO* C 176 -21.609 26.066 16.934 178 H1* C 176 H1* C 176 -18.787 25.443 15.850 179 1H4 C 176 1H4 C 176 -18.735 23.209 9.865 180 2H4 C 176 2H4 C 176 -18.422 21.604 10.484 181 H5 C 176 H5 C 176 -18.396 21.061 12.782 182 H6 C 176 H6 C 176 -18.667 21.935 15.076 183 1H5* G 177 1H5* G 177 -24.033 25.293 17.804 184 2H5* G 177 2H5* G 177 -25.522 24.357 17.686 185 H4* G 177 H4* G 177 -25.728 26.492 16.542 186 H3* G 177 H3* G 177 -25.878 23.993 14.886 187 H2* G 177 H2* G 177 -26.363 25.294 12.951 188 2HO* G 177 2HO* G 177 -26.484 27.707 13.455 189 H1* G 177 H1* G 177 -24.219 27.032 13.370 190 H8 G 177 H8 G 177 -23.034 23.693 14.395 191 H1 G 177 H1 G 177 -23.130 24.434 7.967 192 1H2 G 177 1H2 G 177 -24.172 26.147 7.486 193 2H2 G 177 2H2 G 177 -24.910 27.222 8.652 194 1H5* C 178 1H5* C 178 -29.422 26.170 13.950 195 2H5* C 178 2H5* C 178 -30.809 25.084 13.863 196 H4* C 178 H4* C 178 -30.574 26.310 11.796 197 H3* C 178 H3* C 178 -30.073 23.349 11.668 198 H2* C 178 H2* C 178 -29.825 23.490 9.311 199 2HO* C 178 2HO* C 178 -30.116 26.138 8.901 200 H1* C 178 H1* C 178 -28.117 25.729 9.469 201 1H4 C 178 1H4 C 178 -24.182 20.736 8.859 202 2H4 C 178 2H4 C 178 -24.334 20.423 10.574 203 H5 C 178 H5 C 178 -25.797 21.605 12.003 204 H6 C 178 H6 C 178 -27.491 23.395 12.140 205 1H5* U 179 1H5* U 179 -33.312 24.096 8.835 206 2H5* U 179 2H5* U 179 -34.504 22.805 8.987 207 H4* U 179 H4* U 179 -33.763 22.978 6.700 208 H3* U 179 H3* U 179 -32.949 20.488 8.176 209 H2* U 179 H2* U 179 -32.011 19.613 6.178 210 2HO* U 179 2HO* U 179 -32.508 21.785 4.560 211 H1* U 179 H1* U 179 -30.642 21.989 5.575 212 H3 U 179 H3 U 179 -27.522 18.820 6.707 213 H5 U 179 H5 U 179 -28.807 20.453 10.343 214 H6 U 179 H6 U 179 -30.562 21.617 9.087 215 1H5* U 180 1H5* U 180 -34.738 19.350 4.820 216 2H5* U 180 2H5* U 180 -35.908 18.031 4.863 217 H4* U 180 H4* U 180 -34.193 17.419 3.340 218 H3* U 180 H3* U 180 -34.154 15.917 5.934 219 H2* U 180 H2* U 180 -32.301 14.626 5.211 220 2HO* U 180 2HO* U 180 -31.645 15.159 2.881 221 H1* U 180 H1* U 180 -30.919 16.909 4.248 222 H3 U 180 H3 U 180 -28.243 15.627 7.655 223 H5 U 180 H5 U 180 -31.662 17.082 9.587 224 H6 U 180 H6 U 180 -32.700 17.296 7.376 225 1H5* A 181 1H5* A 181 -36.736 12.636 3.447 226 2H5* A 181 2H5* A 181 -37.435 11.838 4.857 227 H4* A 181 H4* A 181 -35.752 10.507 3.525 228 H3* A 181 H3* A 181 -35.518 10.903 6.499 229 H2* A 181 H2* A 181 -33.664 9.420 6.537 230 2HO* A 181 2HO* A 181 -33.692 7.913 4.965 231 H1* A 181 H1* A 181 -32.401 10.661 4.362 232 H8 A 181 H8 A 181 -34.055 13.145 6.634 233 1H6 A 181 1H6 A 181 -28.723 13.211 9.878 234 2H6 A 181 2H6 A 181 -30.281 13.986 9.695 235 H2 A 181 H2 A 181 -28.483 9.943 6.876 236 1H5* U 182 1H5* U 182 -35.520 5.816 7.986 237 2H5* U 182 2H5* U 182 -36.969 6.046 7.006 238 H4* U 182 H4* U 182 -37.684 7.388 9.254 239 H3* U 182 H3* U 182 -35.717 5.278 10.138 240 H2* U 182 H2* U 182 -37.071 4.802 11.981 241 2HO* U 182 2HO* U 182 -37.469 6.840 12.730 242 H1* U 182 H1* U 182 -39.475 5.391 10.399 243 H3 U 182 H3 U 182 -40.645 1.427 12.245 244 H5 U 182 H5 U 182 -37.468 0.440 9.701 245 H6 U 182 H6 U 182 -37.154 2.843 9.325 246 1H5* U 183 1H5* U 183 -35.912 8.422 13.354 247 2H5* U 183 2H5* U 183 -35.835 9.679 12.120 248 H4* U 183 H4* U 183 -33.934 10.704 13.444 249 H3* U 183 H3* U 183 -34.769 8.600 15.447 250 H2* U 183 H2* U 183 -34.271 10.096 17.168 251 2HO* U 183 2HO* U 183 -33.068 12.124 15.882 252 H1* U 183 H1* U 183 -35.082 12.356 15.474 253 H3 U 183 H3 U 183 -37.387 13.412 19.207 254 H5 U 183 H5 U 183 -39.056 9.752 18.038 255 H6 U 183 H6 U 183 -37.326 9.629 16.305 256 1H5* C 184 1H5* C 184 -31.716 6.107 17.820 257 2H5* C 184 2H5* C 184 -33.224 6.882 18.304 258 H4* C 184 H4* C 184 -31.859 8.580 19.556 259 H3* C 184 H3* C 184 -29.613 7.136 18.378 260 H2* C 184 H2* C 184 -29.195 5.949 20.305 261 2HO* C 184 2HO* C 184 -27.809 7.290 21.436 262 H1* C 184 H1* C 184 -30.891 8.039 21.778 263 1H4 C 184 1H4 C 184 -29.947 3.704 26.425 264 2H4 C 184 2H4 C 184 -31.232 2.761 25.704 265 H5 C 184 H5 C 184 -32.254 3.290 23.642 266 H6 C 184 H6 C 184 -32.294 4.869 21.743 267 1H5* G 185 1H5* G 185 -28.279 12.785 18.932 268 2H5* G 185 2H5* G 185 -29.821 12.269 18.247 269 H4* G 185 H4* G 185 -28.116 12.097 16.086 270 H3* G 185 H3* G 185 -27.125 14.290 17.877 271 H2* G 185 H2* G 185 -26.789 15.703 15.987 272 2HO* G 185 2HO* G 185 -27.003 14.715 13.897 273 H1* G 185 H1* G 185 -29.351 15.250 14.978 274 H8 G 185 H8 G 185 -29.338 17.829 15.368 275 H1 G 185 H1 G 185 -29.747 16.928 21.763 276 1H2 G 185 1H2 G 185 -29.426 14.938 22.200 277 2H2 G 185 2H2 G 185 -29.095 13.698 21.011 278 1H5* G 186 1H5* G 186 -22.522 11.610 15.290 279 2H5* G 186 2H5* G 186 -23.561 11.199 16.654 280 H4* G 186 H4* G 186 -21.256 13.064 17.086 281 H3* G 186 H3* G 186 -21.003 10.124 16.543 282 H2* G 186 H2* G 186 -19.341 9.941 18.242 283 2HO* G 186 2HO* G 186 -18.267 11.790 18.709 284 H1* G 186 H1* G 186 -20.888 11.270 20.143 285 H8 G 186 H8 G 186 -19.734 8.360 19.576 286 H1 G 186 H1 G 186 -26.100 7.266 19.967 287 1H2 G 186 1H2 G 186 -27.122 9.036 19.690 288 2H2 G 186 2H2 G 186 -26.365 10.586 19.396 289 1H5* G 187 1H5* G 187 -18.730 12.660 12.493 290 2H5* G 187 2H5* G 187 -19.964 12.295 13.699 291 H4* G 187 H4* G 187 -18.898 9.967 12.214 292 H3* G 187 H3* G 187 -20.282 12.216 10.791 293 H2* G 187 H2* G 187 -21.539 10.652 9.506 294 2HO* G 187 2HO* G 187 -20.753 8.323 10.608 295 H1* G 187 H1* G 187 -22.350 9.202 11.746 296 H8 G 187 H8 G 187 -22.342 12.711 12.840 297 H1 G 187 H1 G 187 -27.458 11.299 9.138 298 1H2 G 187 1H2 G 187 -27.172 9.466 8.237 299 2H2 G 187 2H2 G 187 -25.756 8.461 8.454 300 1H5* G 188 1H5* G 188 -19.828 9.373 7.805 301 2H5* G 188 2H5* G 188 -18.625 10.060 6.714 302 H4* G 188 H4* G 188 -20.274 9.316 5.274 303 H3* G 188 H3* G 188 -20.650 12.253 5.793 304 H2* G 188 H2* G 188 -22.453 12.288 4.236 305 2HO* G 188 2HO* G 188 -22.499 10.657 2.752 306 H1* G 188 H1* G 188 -23.710 10.076 5.392 307 H8 G 188 H8 G 188 -22.334 11.976 8.219 308 H1 G 188 H1 G 188 -27.677 14.705 5.792 309 1H2 G 188 1H2 G 188 -28.135 13.832 3.980 310 2H2 G 188 2H2 G 188 -27.208 12.550 3.231 311 1H5* A 189 1H5* A 189 -20.488 12.490 1.216 312 2H5* A 189 2H5* A 189 -19.474 13.929 1.105 313 H4* A 189 H4* A 189 -21.697 14.130 -0.004 314 H3* A 189 H3* A 189 -20.872 16.062 2.152 315 H2* A 189 H2* A 189 -22.835 17.338 1.732 316 2HO* A 189 2HO* A 189 -23.207 17.226 -0.412 317 H1* A 189 H1* A 189 -24.505 15.083 1.775 318 H8 A 189 H8 A 189 -21.818 14.876 4.379 319 1H6 A 189 1H6 A 189 -25.699 17.984 8.151 320 2H6 A 189 2H6 A 189 -24.184 17.110 8.083 321 H2 A 189 H2 A 189 -27.439 17.982 4.062 322 1H5* G 190 1H5* G 190 -21.927 18.495 -1.540 323 2H5* G 190 2H5* G 190 -20.690 19.751 -1.565 324 H4* G 190 H4* G 190 -22.914 20.712 -1.723 325 H3* G 190 H3* G 190 -21.304 21.335 0.735 326 H2* G 190 H2* G 190 -23.005 22.833 1.466 327 2HO* G 190 2HO* G 190 -24.805 23.141 -0.090 328 H1* G 190 H1* G 190 -25.048 20.970 1.087 329 H8 G 190 H8 G 190 -22.098 19.109 2.325 330 H1 G 190 H1 G 190 -25.276 22.209 7.035 331 1H2 G 190 1H2 G 190 -26.643 23.510 6.202 332 2H2 G 190 2H2 G 190 -26.892 23.727 4.484 333 1H5* C 191 1H5* C 191 -22.750 24.750 -0.800 334 2H5* C 191 2H5* C 191 -21.597 26.056 -1.076 335 H4* C 191 H4* C 191 -23.321 27.035 0.156 336 H3* C 191 H3* C 191 -20.976 26.378 1.922 337 H2* C 191 H2* C 191 -22.075 27.422 3.753 338 2HO* C 191 2HO* C 191 -24.385 28.013 2.286 339 H1* C 191 H1* C 191 -24.489 26.079 3.299 340 1H4 C 191 1H4 C 191 -21.488 22.474 7.629 341 2H4 C 191 2H4 C 191 -20.541 21.743 6.352 342 H5 C 191 H5 C 191 -20.627 22.427 4.093 343 H6 C 191 H6 C 191 -21.651 23.999 2.488 344 1H5* G 192 1H5* G 192 -22.113 30.256 2.732 345 2H5* G 192 2H5* G 192 -20.784 31.383 2.463 346 H4* G 192 H4* G 192 -21.620 31.989 4.545 347 H3* G 192 H3* G 192 -19.183 30.261 4.856 348 H2* G 192 H2* G 192 -19.289 30.533 7.220 349 2HO* G 192 2HO* G 192 -21.629 31.975 7.316 350 H1* G 192 H1* G 192 -21.992 29.851 7.350 351 H8 G 192 H8 G 192 -20.365 27.761 4.737 352 H1 G 192 H1 G 192 -19.412 25.544 10.742 353 1H2 G 192 1H2 G 192 -20.035 26.960 12.106 354 2H2 G 192 2H2 G 192 -20.714 28.516 11.685 355 1H5* G 193 1H5* G 193 -18.949 33.560 7.514 356 2H5* G 193 2H5* G 193 -17.310 34.210 7.536 357 H4* G 193 H4* G 193 -18.057 33.663 9.778 358 H3* G 193 H3* G 193 -15.772 32.069 8.653 359 H2* G 193 H2* G 193 -15.516 30.962 10.748 360 2HO* G 193 2HO* G 193 -17.712 32.181 11.947 361 H1* G 193 H1* G 193 -18.226 30.321 10.934 362 H8 G 193 H8 G 193 -17.367 29.995 7.366 363 H1 G 193 H1 G 193 -15.295 24.974 10.884 364 1H2 G 193 1H2 G 193 -15.451 25.428 12.890 365 2H2 G 193 2H2 G 193 -16.054 26.943 13.524 366 1H5* A 194 1H5* A 194 -14.172 33.502 12.603 367 2H5* A 194 2H5* A 194 -12.735 34.368 12.063 368 H4* A 194 H4* A 194 -12.059 32.953 13.830 369 H3* A 194 H3* A 194 -11.204 31.967 11.124 370 H2* A 194 H2* A 194 -10.026 30.173 12.141 371 2HO* A 194 2HO* A 194 -9.418 30.465 14.241 372 H1* A 194 H1* A 194 -12.155 29.428 13.777 373 H8 A 194 H8 A 194 -13.549 30.544 10.519 374 1H6 A 194 1H6 A 194 -12.461 24.780 8.390 375 2H6 A 194 2H6 A 194 -13.245 26.302 8.027 376 H2 A 194 H2 A 194 -10.491 25.194 12.351 377 1H5* C 195 1H5* C 195 -7.959 31.929 13.565 378 2H5* C 195 2H5* C 195 -6.605 32.907 13.000 379 H4* C 195 H4* C 195 -5.638 30.874 13.587 380 H3* C 195 H3* C 195 -6.066 31.010 10.612 381 H2* C 195 H2* C 195 -4.969 28.917 10.367 382 2HO* C 195 2HO* C 195 -3.370 29.247 11.913 383 H1* C 195 H1* C 195 -6.435 27.698 12.416 384 1H4 C 195 1H4 C 195 -9.602 26.276 7.048 385 2H4 C 195 2H4 C 195 -10.468 27.790 7.185 386 H5 C 195 H5 C 195 -9.996 29.432 8.816 387 H6 C 195 H6 C 195 -8.563 30.033 10.734 388 1H5* G 196 1H5* G 196 -1.016 30.890 10.296 389 2H5* G 196 2H5* G 196 -1.243 32.190 9.125 390 H4* G 196 H4* G 196 0.046 30.239 8.273 391 H3* G 196 H3* G 196 -2.456 31.168 6.895 392 H2* G 196 H2* G 196 -2.102 29.565 5.167 393 2HO* G 196 2HO* G 196 0.176 28.515 6.453 394 H1* G 196 H1* G 196 -1.720 27.462 6.963 395 H8 G 196 H8 G 196 -4.324 30.001 8.005 396 H1 G 196 H1 G 196 -6.609 25.142 4.392 397 1H2 G 196 1H2 G 196 -5.038 24.005 3.693 398 2H2 G 196 2H2 G 196 -3.351 24.321 4.035 399 1H5* A 197 1H5* A 197 0.650 35.496 4.257 400 2H5* A 197 2H5* A 197 -0.666 34.577 3.527 401 H4* A 197 H4* A 197 2.201 33.636 3.453 402 H3* A 197 H3* A 197 0.842 35.614 1.647 403 H2* A 197 H2* A 197 1.637 34.555 -0.233 404 2HO* A 197 2HO* A 197 3.788 34.268 -0.102 405 H1* A 197 H1* A 197 1.988 32.036 1.348 406 H8 A 197 H8 A 197 -1.198 33.529 -0.130 407 1H6 A 197 1H6 A 197 -0.827 28.951 -4.357 408 2H6 A 197 2H6 A 197 -1.812 30.282 -3.791 409 H2 A 197 H2 A 197 2.797 28.772 -1.793 410 1H5* U 198 1H5* U 198 5.128 37.170 3.321 411 2H5* U 198 2H5* U 198 6.564 37.225 2.298 412 H4* U 198 H4* U 198 5.173 34.643 2.218 413 H3* U 198 H3* U 198 6.173 35.691 4.872 414 H2* U 198 H2* U 198 6.923 33.548 5.394 415 2HO* U 198 2HO* U 198 5.838 32.041 3.446 416 H1* U 198 H1* U 198 7.411 33.016 2.530 417 H3 U 198 H3 U 198 11.758 32.160 3.091 418 H5 U 198 H5 U 198 10.921 34.665 6.342 419 H6 U 198 H6 U 198 8.636 34.863 5.473 420 1H5* G 199 1H5* G 199 0.413 35.833 6.212 421 2H5* G 199 2H5* G 199 1.658 36.912 6.841 422 H4* G 199 H4* G 199 0.530 35.917 8.690 423 H3* G 199 H3* G 199 3.323 34.892 8.244 424 H2* G 199 H2* G 199 3.163 33.626 10.255 425 2HO* G 199 2HO* G 199 0.556 34.219 10.875 426 H1* G 199 H1* G 199 0.676 32.538 9.559 427 H8 G 199 H8 G 199 2.895 32.816 6.562 428 H1 G 199 H1 G 199 3.956 27.494 10.089 429 1H2 G 199 1H2 G 199 2.923 27.630 11.868 430 2H2 G 199 2H2 G 199 1.920 28.985 12.336 431 1H5* A 200 1H5* A 200 6.112 38.410 9.841 432 2H5* A 200 2H5* A 200 6.644 37.947 8.225 433 H4* A 200 H4* A 200 8.000 37.446 10.534 434 H3* A 200 H3* A 200 8.124 36.188 7.811 435 H2* A 200 H2* A 200 9.712 34.608 8.588 436 2HO* A 200 2HO* A 200 9.655 35.663 11.204 437 H1* A 200 H1* A 200 8.271 33.903 10.846 438 H8 A 200 H8 A 200 5.717 34.599 8.280 439 1H6 A 200 1H6 A 200 6.712 28.857 6.048 440 2H6 A 200 2H6 A 200 5.654 30.248 5.962 441 H2 A 200 H2 A 200 9.918 29.781 8.982 442 1H5* C 201 1H5* C 201 12.630 37.946 7.214 443 2H5* C 201 2H5* C 201 12.902 36.354 6.505 444 H4* C 201 H4* C 201 11.686 36.985 9.198 445 H3* C 201 H3* C 201 14.301 35.740 8.341 446 H2* C 201 H2* C 201 14.344 34.556 10.390 447 2HO* C 201 2HO* C 201 13.278 35.490 12.073 448 H1* C 201 H1* C 201 11.543 33.953 10.182 449 1H4 C 201 1H4 C 201 14.352 28.413 8.766 450 2H4 C 201 2H4 C 201 14.937 29.081 7.258 451 H5 C 201 H5 C 201 14.640 31.334 6.615 452 H6 C 201 H6 C 201 13.699 33.521 7.266 453 1H5* C 202 1H5* C 202 15.169 37.927 12.110 454 2H5* C 202 2H5* C 202 16.909 37.993 12.395 455 H4* C 202 H4* C 202 15.541 36.519 13.940 456 H3* C 202 H3* C 202 17.969 35.475 12.475 457 H2* C 202 H2* C 202 17.825 33.503 13.769 458 2HO* C 202 2HO* C 202 15.668 34.175 15.322 459 H1* C 202 H1* C 202 14.966 33.434 13.524 460 1H4 C 202 1H4 C 202 17.227 28.835 9.683 461 2H4 C 202 2H4 C 202 17.362 30.024 8.408 462 H5 C 202 H5 C 202 16.980 32.334 8.717 463 H6 C 202 H6 C 202 16.372 34.089 10.343 464 1H5* C 203 1H5* C 203 18.765 35.558 16.732 465 2H5* C 203 2H5* C 203 20.462 35.381 17.174 466 H4* C 203 H4* C 203 19.002 33.481 17.857 467 H3* C 203 H3* C 203 21.373 32.979 16.055 468 H2* C 203 H2* C 203 21.021 30.654 16.329 469 2HO* C 203 2HO* C 203 18.950 30.469 17.951 470 H1* C 203 H1* C 203 18.190 30.954 16.028 471 1H4 C 203 1H4 C 203 20.370 28.486 10.531 472 2H4 C 203 2H4 C 203 20.611 30.118 9.947 473 H5 C 203 H5 C 203 20.336 32.046 11.282 474 H6 C 203 H6 C 203 19.756 32.893 13.528 475 1H5* U 204 1H5* U 204 21.372 31.113 19.663 476 2H5* U 204 2H5* U 204 22.823 30.785 20.611 477 H4* U 204 H4* U 204 21.599 28.745 20.302 478 H3* U 204 H3* U 204 24.213 28.929 18.827 479 H2* U 204 H2* U 204 23.964 26.672 18.113 480 2HO* U 204 2HO* U 204 21.449 26.509 19.418 481 H1* U 204 H1* U 204 21.347 27.059 17.217 482 H3 U 204 H3 U 204 24.163 26.579 13.597 483 H5 U 204 H5 U 204 24.134 30.671 14.489 484 H6 U 204 H6 U 204 22.932 30.112 16.552 485 1H5* A 205 1H5* A 205 25.876 26.744 22.749 486 2H5* A 205 2H5* A 205 27.601 27.030 22.520 487 H4* A 205 H4* A 205 26.703 24.674 22.092 488 H3* A 205 H3* A 205 28.519 26.162 20.210 489 H2* A 205 H2* A 205 28.647 24.236 18.827 490 2HO* A 205 2HO* A 205 28.712 22.638 20.365 491 H1* A 205 H1* A 205 25.882 23.819 18.824 492 H8 A 205 H8 A 205 26.366 27.471 18.688 493 1H6 A 205 1H6 A 205 27.286 26.898 12.542 494 2H6 A 205 2H6 A 205 27.019 28.046 13.835 495 H2 A 205 H2 A 205 27.316 22.833 14.337 496 1H5* G 206 1H5* G 206 30.489 24.266 18.049 497 2H5* G 206 2H5* G 206 32.052 24.112 18.851 498 H4* G 206 H4* G 206 31.019 26.516 17.333 499 H3* G 206 H3* G 206 32.896 24.312 16.623 500 H2* G 206 H2* G 206 34.387 25.812 15.526 501 2HO* G 206 2HO* G 206 33.375 28.200 15.947 502 H1* G 206 H1* G 206 34.506 27.557 17.698 503 H8 G 206 H8 G 206 34.294 24.049 18.946 504 H1 G 206 H1 G 206 40.282 25.813 17.239 505 1H2 G 206 1H2 G 206 40.211 27.620 16.247 506 2H2 G 206 2H2 G 206 38.747 28.523 15.926 507 1H5* U 207 1H5* U 207 30.010 25.081 12.264 508 2H5* U 207 2H5* U 207 31.276 24.851 11.057 509 H4* U 207 H4* U 207 29.708 26.840 10.769 510 H3* U 207 H3* U 207 32.707 27.030 10.619 511 H2* U 207 H2* U 207 32.521 29.318 10.009 512 2HO* U 207 2HO* U 207 30.159 30.029 9.773 513 H1* U 207 H1* U 207 30.706 29.915 12.051 514 H3 U 207 H3 U 207 34.319 31.951 13.778 515 H5 U 207 H5 U 207 35.392 27.903 13.874 516 H6 U 207 H6 U 207 33.296 27.422 12.695 517 1H5* A 208 1H5* A 208 33.037 27.654 5.300 518 2H5* A 208 2H5* A 208 31.418 27.491 4.622 519 H4* A 208 H4* A 208 32.837 25.928 3.524 520 H3* A 208 H3* A 208 30.809 24.764 5.377 521 H2* A 208 H2* A 208 31.565 22.549 4.944 522 2HO* A 208 2HO* A 208 33.572 22.695 3.348 523 H1* A 208 H1* A 208 34.246 23.187 5.414 524 H8 A 208 H8 A 208 31.344 24.624 7.466 525 1H6 A 208 1H6 A 208 32.966 20.416 11.780 526 2H6 A 208 2H6 A 208 31.877 21.741 11.430 527 H2 A 208 H2 A 208 35.568 19.835 8.225 528 1H5* G 209 1H5* G 209 29.322 23.089 2.387 529 2H5* G 209 2H5* G 209 27.571 22.888 2.378 530 H4* G 209 H4* G 209 28.813 21.134 3.638 531 H3* G 209 H3* G 209 26.677 22.781 4.962 532 H2* G 209 H2* G 209 26.893 21.468 6.940 533 2HO* G 209 2HO* G 209 28.962 19.869 6.239 534 H1* G 209 H1* G 209 29.673 21.737 7.014 535 H8 G 209 H8 G 209 28.270 24.956 5.827 536 H1 G 209 H1 G 209 27.860 24.236 12.245 537 1H2 G 209 1H2 G 209 28.304 22.287 12.750 538 2H2 G 209 2H2 G 209 28.726 21.033 11.604 539 1H5* A 210 1H5* A 210 25.611 18.422 6.388 540 2H5* A 210 2H5* A 210 23.879 18.621 6.124 541 H4* A 210 H4* A 210 24.549 18.001 8.457 542 H3* A 210 H3* A 210 22.900 20.464 7.912 543 H2* A 210 H2* A 210 22.619 20.754 10.251 544 2HO* A 210 2HO* A 210 24.169 18.531 10.938 545 H1* A 210 H1* A 210 25.353 20.321 10.791 546 H8 A 210 H8 A 210 24.927 22.416 7.738 547 1H6 A 210 1H6 A 210 24.631 27.360 11.537 548 2H6 A 210 2H6 A 210 24.752 26.863 9.864 549 H2 A 210 H2 A 210 24.473 23.682 14.025 550 1H5* G 211 1H5* G 211 21.184 17.873 10.552 551 2H5* G 211 2H5* G 211 19.477 17.467 10.379 552 H4* G 211 H4* G 211 19.849 18.054 12.649 553 H3* G 211 H3* G 211 18.338 20.116 11.073 554 H2* G 211 H2* G 211 18.051 21.424 13.045 555 2HO* G 211 2HO* G 211 19.369 20.132 14.914 556 H1* G 211 H1* G 211 20.748 21.340 13.719 557 H8 G 211 H8 G 211 20.576 21.488 10.022 558 H1 G 211 H1 G 211 19.651 27.250 12.820 559 1H2 G 211 1H2 G 211 19.381 26.995 14.849 560 2H2 G 211 2H2 G 211 19.402 25.450 15.669 561 1H5* G 212 1H5* G 212 16.134 19.395 14.534 562 2H5* G 212 2H5* G 212 14.519 18.804 14.146 563 H4* G 212 H4* G 212 14.129 20.459 15.723 564 H3* G 212 H3* G 212 13.659 21.491 12.954 565 H2* G 212 H2* G 212 13.071 23.638 13.800 566 2HO* G 212 2HO* G 212 12.512 23.759 15.951 567 H1* G 212 H1* G 212 15.356 23.766 15.440 568 H8 G 212 H8 G 212 16.034 22.276 12.058 569 H1 G 212 H1 G 212 16.338 28.740 12.194 570 1H2 G 212 1H2 G 212 15.646 29.424 14.012 571 2H2 G 212 2H2 G 212 15.068 28.398 15.306 572 1H5* G 213 1H5* G 213 9.028 20.353 14.043 573 2H5* G 213 2H5* G 213 8.415 20.367 12.389 574 H4* G 213 H4* G 213 7.635 22.227 13.930 575 H3* G 213 H3* G 213 8.780 22.712 11.193 576 H2* G 213 H2* G 213 8.303 25.035 11.414 577 2HO* G 213 2HO* G 213 7.344 25.225 13.887 578 H1* G 213 H1* G 213 9.505 25.221 13.925 579 H8 G 213 H8 G 213 11.438 22.842 11.802 580 H1 G 213 H1 G 213 12.891 29.049 10.688 581 1H2 G 213 1H2 G 213 11.526 30.259 11.648 582 2H2 G 213 2H2 G 213 10.186 29.678 12.612 583 1H5* G 214 1H5* G 214 7.066 25.813 9.675 584 2H5* G 214 2H5* G 214 5.903 24.957 8.663 585 H4* G 214 H4* G 214 7.381 26.270 7.285 586 H3* G 214 H3* G 214 7.586 23.292 7.057 587 H2* G 214 H2* G 214 9.262 23.484 5.384 588 2HO* G 214 2HO* G 214 9.589 25.566 4.463 589 H1* G 214 H1* G 214 10.770 25.329 6.865 590 H8 G 214 H8 G 214 9.495 22.851 9.275 591 H1 G 214 H1 G 214 14.523 20.630 5.860 592 1H2 G 214 1H2 G 214 14.900 21.904 4.282 593 2H2 G 214 2H2 G 214 13.990 23.356 3.936 594 1H5* G 215 1H5* G 215 7.600 24.556 3.371 595 2H5* G 215 2H5* G 215 6.098 24.295 2.486 596 H4* G 215 H4* G 215 7.742 23.747 0.945 597 H3* G 215 H3* G 215 6.608 21.283 2.215 598 H2* G 215 H2* G 215 8.034 19.900 0.899 599 2HO* G 215 2HO* G 215 9.499 21.829 -0.346 600 H1* G 215 H1* G 215 10.334 21.317 1.573 601 H8 G 215 H8 G 215 8.045 21.222 4.518 602 H1 G 215 H1 G 215 11.591 15.851 3.839 603 1H2 G 215 1H2 G 215 12.539 15.878 2.007 604 2H2 G 215 2H2 G 215 12.393 17.164 0.831 605 1H5* C 216 1H5* C 216 4.269 21.117 -1.838 606 2H5* C 216 2H5* C 216 2.932 20.035 -1.449 607 H4* C 216 H4* C 216 4.840 19.073 -2.819 608 H3* C 216 H3* C 216 3.777 17.755 -0.328 609 H2* C 216 H2* C 216 5.190 15.891 -0.741 610 2HO* C 216 2HO* C 216 6.057 17.234 -3.117 611 H1* C 216 H1* C 216 7.443 17.492 -1.246 612 1H4 C 216 1H4 C 216 7.913 15.790 4.901 613 2H4 C 216 2H4 C 216 6.935 17.176 5.331 614 H5 C 216 H5 C 216 5.901 18.596 3.751 615 H6 C 216 H6 C 216 5.546 19.039 1.348 616 1H5* U 217 1H5* U 217 3.772 15.176 -3.230 617 2H5* U 217 2H5* U 217 2.303 14.323 -3.707 618 H4* U 217 H4* U 217 3.706 12.554 -3.428 619 H3* U 217 H3* U 217 2.384 13.021 -0.773 620 H2* U 217 H2* U 217 3.564 11.158 0.144 621 2HO* U 217 2HO* U 217 4.985 10.024 -1.474 622 H1* U 217 H1* U 217 6.037 12.077 -0.731 623 H3 U 217 H3 U 217 6.518 13.228 3.575 624 H5 U 217 H5 U 217 3.343 15.657 2.323 625 H6 U 217 H6 U 217 3.441 14.502 0.163 626 1H5* G 218 1H5* G 218 -1.393 9.437 -1.506 627 2H5* G 218 2H5* G 218 0.095 10.082 -0.813 628 H4* G 218 H4* G 218 -0.174 7.694 -2.152 629 H3* G 218 H3* G 218 2.247 9.372 -1.494 630 H2* G 218 H2* G 218 3.605 7.770 -2.567 631 2HO* G 218 2HO* G 218 1.918 5.868 -3.316 632 H1* G 218 H1* G 218 1.684 7.446 -4.692 633 H8 G 218 H8 G 218 2.412 11.019 -4.240 634 H1 G 218 H1 G 218 7.064 7.960 -7.539 635 1H2 G 218 1H2 G 218 6.792 5.922 -7.383 636 2H2 G 218 2H2 G 218 5.496 5.156 -6.492 637 1H5* C 219 1H5* C 219 4.251 6.025 2.305 638 2H5* C 219 2H5* C 219 2.885 5.381 3.217 639 H4* C 219 H4* C 219 4.297 7.085 4.409 640 H3* C 219 H3* C 219 1.320 7.358 4.134 641 H2* C 219 H2* C 219 1.333 9.395 5.251 642 2HO* C 219 2HO* C 219 2.531 8.609 7.002 643 H1* C 219 H1* C 219 4.001 10.059 4.244 644 1H4 C 219 1H4 C 219 -0.225 14.403 2.046 645 2H4 C 219 2H4 C 219 -0.183 13.517 0.538 646 H5 C 219 H5 C 219 0.910 11.442 0.260 647 H6 C 219 H6 C 219 2.244 9.688 1.373 648 1H5* G 220 1H5* G 220 4.495 4.363 6.863 649 2H5* G 220 2H5* G 220 4.487 5.865 5.940 650 H4* G 220 H4* G 220 5.932 3.335 5.453 651 H3* G 220 H3* G 220 6.468 6.269 4.942 652 H2* G 220 H2* G 220 8.224 5.629 3.519 653 2HO* G 220 2HO* G 220 8.415 3.015 3.755 654 H1* G 220 H1* G 220 6.683 3.344 2.578 655 H8 G 220 H8 G 220 6.270 3.781 0.126 656 H1 G 220 H1 G 220 6.840 10.184 0.868 657 1H2 G 220 1H2 G 220 7.039 10.631 2.870 658 2H2 G 220 2H2 G 220 7.050 9.447 4.158 659 1H5* G 221 1H5* G 221 9.717 5.098 5.655 660 2H5* G 221 2H5* G 221 10.891 5.822 6.754 661 H4* G 221 H4* G 221 11.371 5.809 4.216 662 H3* G 221 H3* G 221 11.812 8.104 6.095 663 H2* G 221 H2* G 221 12.694 9.420 4.320 664 2HO* G 221 2HO* G 221 12.257 7.574 2.307 665 H1* G 221 H1* G 221 10.567 8.942 2.616 666 H8 G 221 H8 G 221 10.125 9.240 6.414 667 H1 G 221 H1 G 221 8.581 14.520 3.005 668 1H2 G 221 1H2 G 221 8.995 14.198 1.012 669 2H2 G 221 2H2 G 221 9.661 12.717 0.359 670 1H5* C 222 1H5* C 222 16.328 8.089 4.241 671 2H5* C 222 2H5* C 222 16.766 9.361 5.382 672 H4* C 222 H4* C 222 16.398 9.709 2.707 673 H3* C 222 H3* C 222 16.285 11.648 5.005 674 H2* C 222 H2* C 222 15.755 13.395 3.495 675 2HO* C 222 2HO* C 222 15.810 12.668 1.140 676 H1* C 222 H1* C 222 13.790 11.947 2.152 677 1H4 C 222 1H4 C 222 10.726 15.185 6.751 678 2H4 C 222 2H4 C 222 10.922 13.799 7.800 679 H5 C 222 H5 C 222 12.191 11.889 7.234 680 H6 C 222 H6 C 222 13.600 10.830 5.506 681 1H5* U 223 1H5* U 223 18.253 13.501 2.081 682 2H5* U 223 2H5* U 223 19.565 14.562 2.594 683 H4* U 223 H4* U 223 17.510 15.584 1.421 684 H3* U 223 H3* U 223 18.812 16.686 3.902 685 H2* U 223 H2* U 223 17.347 18.543 3.832 686 2HO* U 223 2HO* U 223 15.876 17.936 1.637 687 H1* U 223 H1* U 223 15.058 17.004 3.382 688 H3 U 223 H3 U 223 15.122 18.796 7.664 689 H5 U 223 H5 U 223 16.820 14.978 7.937 690 H6 U 223 H6 U 223 16.861 14.929 5.486 691 1H5* U 224 1H5* U 224 20.408 19.345 -0.342 692 2H5* U 224 2H5* U 224 19.559 20.886 -0.452 693 H4* U 224 H4* U 224 19.037 18.658 -1.957 694 H3* U 224 H3* U 224 17.435 21.127 -1.357 695 H2* U 224 H2* U 224 15.590 20.249 -2.548 696 2HO* U 224 2HO* U 224 16.819 17.847 -3.233 697 H1* U 224 H1* U 224 15.657 17.756 -1.351 698 H3 U 224 H3 U 224 12.260 19.296 1.117 699 H5 U 224 H5 U 224 15.362 21.927 2.114 700 H6 U 224 H6 U 224 16.751 20.756 0.467 701 1H5* A 225 1H5* A 225 18.554 20.352 -5.380 702 2H5* A 225 2H5* A 225 18.608 21.489 -6.728 703 H4* A 225 H4* A 225 16.988 19.789 -7.203 704 H3* A 225 H3* A 225 15.887 22.526 -6.660 705 H2* A 225 H2* A 225 13.685 21.760 -7.089 706 2HO* A 225 2HO* A 225 13.574 19.465 -7.875 707 H1* A 225 H1* A 225 14.043 19.437 -5.500 708 H8 A 225 H8 A 225 15.454 22.374 -3.739 709 1H6 A 225 1H6 A 225 9.698 23.563 -1.642 710 2H6 A 225 2H6 A 225 11.385 23.993 -1.473 711 H2 A 225 H2 A 225 9.416 20.414 -4.765 712 1H5* G 226 1H5* G 226 14.736 20.740 -10.114 713 2H5* G 226 2H5* G 226 14.564 21.583 -11.654 714 H4* G 226 H4* G 226 12.547 20.399 -11.269 715 H3* G 226 H3* G 226 12.348 23.364 -10.956 716 H2* G 226 H2* G 226 10.032 23.219 -10.412 717 2HO* G 226 2HO* G 226 9.338 20.776 -10.367 718 H1* G 226 H1* G 226 10.459 21.249 -8.464 719 H8 G 226 H8 G 226 13.290 23.550 -8.106 720 H1 G 226 H1 G 226 7.827 25.997 -5.643 721 1H2 G 226 1H2 G 226 6.224 24.857 -6.257 722 2H2 G 226 2H2 G 226 6.341 23.446 -7.286 723 1H5* G 227 1H5* G 227 11.138 21.946 -15.533 724 2H5* G 227 2H5* G 227 12.096 22.967 -16.604 725 H4* G 227 H4* G 227 9.915 23.514 -17.156 726 H3* G 227 H3* G 227 11.036 25.540 -15.249 727 H2* G 227 H2* G 227 9.011 26.791 -15.358 728 2HO* G 227 2HO* G 227 7.368 25.813 -16.890 729 H1* G 227 H1* G 227 7.400 24.587 -14.832 730 H8 G 227 H8 G 227 10.667 24.414 -12.976 731 H1 G 227 H1 G 227 6.077 27.810 -9.930 732 1H2 G 227 1H2 G 227 4.464 28.075 -11.189 733 2H2 G 227 2H2 G 227 4.371 27.467 -12.827 734 1H5* A 228 1H5* A 228 9.661 27.884 -18.587 735 2H5* A 228 2H5* A 228 10.864 29.106 -18.993 736 H4* A 228 H4* A 228 8.794 30.209 -18.572 737 H3* A 228 H3* A 228 10.924 30.617 -16.512 738 H2* A 228 H2* A 228 9.502 32.018 -15.226 739 2HO* A 228 2HO* A 228 7.224 32.135 -16.426 740 H1* A 228 H1* A 228 7.347 30.215 -15.340 741 H8 A 228 H8 A 228 10.488 28.295 -14.878 742 1H6 A 228 1H6 A 228 9.944 29.391 -8.758 743 2H6 A 228 2H6 A 228 10.820 28.471 -9.962 744 H2 A 228 H2 A 228 6.968 31.907 -10.891 745 1H5* G 229 1H5* G 229 9.059 34.076 -17.725 746 2H5* G 229 2H5* G 229 10.076 35.405 -18.282 747 H4* G 229 H4* G 229 8.509 36.393 -16.854 748 H3* G 229 H3* G 229 11.186 36.060 -15.559 749 H2* G 229 H2* G 229 10.393 37.065 -13.548 750 2HO* G 229 2HO* G 229 7.758 37.295 -14.450 751 H1* G 229 H1* G 229 8.151 35.410 -13.404 752 H8 G 229 H8 G 229 10.922 33.341 -14.717 753 H1 G 229 H1 G 229 11.238 34.189 -8.308 754 1H2 G 229 1H2 G 229 9.903 35.655 -7.741 755 2H2 G 229 2H2 G 229 8.853 36.524 -8.837 756 1H5* G 230 1H5* G 230 9.879 40.048 -14.599 757 2H5* G 230 2H5* G 230 11.100 41.137 -15.256 758 H4* G 230 H4* G 230 10.753 41.910 -13.090 759 H3* G 230 H3* G 230 13.230 40.226 -13.245 760 H2* G 230 H2* G 230 13.673 40.630 -10.939 761 2HO* G 230 2HO* G 230 11.342 42.060 -10.457 762 H1* G 230 H1* G 230 11.094 39.925 -10.142 763 H8 G 230 H8 G 230 12.225 37.761 -12.977 764 H1 G 230 H1 G 230 14.311 35.757 -7.188 765 1H2 G 230 1H2 G 230 13.911 37.202 -5.773 766 2H2 G 230 2H2 G 230 13.126 38.730 -6.105 767 1H5* G 231 1H5* G 231 14.141 43.568 -10.961 768 2H5* G 231 2H5* G 231 15.441 44.479 -11.728 769 H4* G 231 H4* G 231 16.051 44.330 -9.476 770 H3* G 231 H3* G 231 17.559 42.365 -11.169 771 H2* G 231 H2* G 231 18.802 41.655 -9.264 772 2HO* G 231 2HO* G 231 18.389 42.890 -7.267 773 H1* G 231 H1* G 231 16.521 41.274 -7.703 774 H8 G 231 H8 G 231 15.783 40.288 -11.222 775 H1 G 231 H1 G 231 18.834 35.684 -7.850 776 1H2 G 231 1H2 G 231 19.496 36.465 -6.060 777 2H2 G 231 2H2 G 231 19.259 38.122 -5.549 778 1H5* C 232 1H5* C 232 20.512 44.579 -9.070 779 2H5* C 232 2H5* C 232 22.017 44.734 -9.977 780 H4* C 232 H4* C 232 22.289 43.487 -7.876 781 H3* C 232 H3* C 232 22.864 42.072 -10.475 782 H2* C 232 H2* C 232 23.711 40.226 -9.242 783 2HO* C 232 2HO* C 232 23.402 40.896 -6.717 784 H1* C 232 H1* C 232 21.504 40.231 -7.471 785 1H4 C 232 1H4 C 232 20.249 35.655 -11.758 786 2H4 C 232 2H4 C 232 19.556 36.869 -12.811 787 H5 C 232 H5 C 232 19.618 39.187 -12.365 788 H6 C 232 H6 C 232 20.365 40.929 -10.782 789 1H5* A 233 1H5* A 233 27.064 42.045 -8.343 790 2H5* A 233 2H5* A 233 28.052 42.394 -9.761 791 H4* A 233 H4* A 233 28.819 40.396 -8.587 792 H3* A 233 H3* A 233 27.794 40.093 -11.395 793 H2* A 233 H2* A 233 28.406 37.794 -11.371 794 2HO* A 233 2HO* A 233 30.325 38.176 -10.166 795 H1* A 233 H1* A 233 27.165 37.300 -8.919 796 H8 A 233 H8 A 233 25.016 39.703 -10.728 797 1H6 A 233 1H6 A 233 22.562 34.845 -13.781 798 2H6 A 233 2H6 A 233 22.383 36.555 -13.462 799 H2 A 233 H2 A 233 26.140 33.427 -11.561 800 1H5* G 234 1H5* G 234 32.059 38.504 -11.555 801 2H5* G 234 2H5* G 234 32.694 39.266 -13.013 802 H4* G 234 H4* G 234 33.104 36.907 -13.117 803 H3* G 234 H3* G 234 31.052 37.952 -15.047 804 H2* G 234 H2* G 234 30.883 35.790 -16.035 805 2HO* G 234 2HO* G 234 32.414 34.167 -14.922 806 H1* G 234 H1* G 234 30.544 34.507 -13.580 807 H8 G 234 H8 G 234 28.775 37.766 -13.420 808 H1 G 234 H1 G 234 25.404 33.199 -16.528 809 1H2 G 234 1H2 G 234 26.618 31.570 -16.884 810 2H2 G 234 2H2 G 234 28.298 31.458 -16.412 811 1H GLY 15 1H GLY 15 3.892 -1.957 -1.596 812 1HA GLY 15 1HA GLY 15 6.423 -2.513 -0.535 813 2HA GLY 15 2HA GLY 15 6.631 -2.127 -2.237 814 H ARG 16 H ARG 16 7.817 -0.257 -1.715 815 HA ARG 16 HA ARG 16 6.200 1.928 -0.575 816 1HB ARG 16 2HB ARG 16 9.212 1.656 -0.586 817 2HB ARG 16 3HB ARG 16 8.296 2.982 0.120 818 1HG ARG 16 2HG ARG 16 8.101 1.877 2.025 819 2HG ARG 16 3HG ARG 16 7.346 0.514 1.194 820 1HD ARG 16 2HD ARG 16 9.928 0.138 0.506 821 2HD ARG 16 3HD ARG 16 10.129 0.893 2.087 822 HE ARG 16 HE ARG 16 8.296 -1.012 2.581 823 1HH1 ARG 16 2HH1 ARG 16 11.383 -1.080 0.974 824 2HH1 ARG 16 1HH1 ARG 16 11.725 -2.719 1.415 825 1HH2 ARG 16 2HH2 ARG 16 8.734 -3.172 3.169 826 2HH2 ARG 16 1HH2 ARG 16 10.215 -3.909 2.664 827 H ALA 17 H ALA 17 8.332 0.918 -3.157 828 HA ALA 17 HA ALA 17 8.677 1.747 -5.251 829 1HB ALA 17 1HB ALA 17 6.088 2.294 -4.803 830 2HB ALA 17 2HB ALA 17 6.709 3.932 -5.012 831 3HB ALA 17 3HB ALA 17 6.931 2.737 -6.288 832 H ARG 18 H ARG 18 9.573 3.137 -2.567 833 HA ARG 18 HA ARG 18 10.072 5.823 -3.026 834 1HB ARG 18 2HB ARG 18 10.735 3.989 -1.067 835 2HB ARG 18 3HB ARG 18 12.300 4.456 -1.718 836 1HG ARG 18 2HG ARG 18 10.242 6.460 -0.838 837 2HG ARG 18 3HG ARG 18 11.462 5.791 0.248 838 1HD ARG 18 2HD ARG 18 12.122 7.156 -2.354 839 2HD ARG 18 3HD ARG 18 12.040 8.002 -0.809 840 HE ARG 18 HE ARG 18 13.750 5.884 -0.409 841 1HH1 ARG 18 2HH1 ARG 18 13.609 8.653 -2.515 842 2HH1 ARG 18 1HH1 ARG 18 15.329 8.804 -2.645 843 1HH2 ARG 18 2HH2 ARG 18 16.017 6.073 -0.574 844 2HH2 ARG 18 1HH2 ARG 18 16.698 7.335 -1.541 845 H GLY 19 H GLY 19 11.360 6.925 -4.362 846 1HA GLY 19 1HA GLY 19 13.509 7.242 -5.419 847 2HA GLY 19 2HA GLY 19 13.607 5.500 -5.633 848 H LEU 20 H LEU 20 10.770 5.387 -6.515 849 HA LEU 20 HA LEU 20 11.255 6.227 -9.282 850 1HB LEU 20 2HB LEU 20 9.794 4.020 -7.992 851 2HB LEU 20 3HB LEU 20 9.015 4.717 -9.411 852 HG LEU 20 HG LEU 20 11.843 4.098 -9.817 853 1HD1 LEU 20 1HD1 LEU 20 11.127 1.600 -10.103 854 2HD1 LEU 20 2HD1 LEU 20 9.952 2.006 -8.854 855 3HD1 LEU 20 3HD1 LEU 20 11.675 2.200 -8.538 856 1HD2 LEU 20 1HD2 LEU 20 10.977 3.147 -11.876 857 2HD2 LEU 20 2HD2 LEU 20 10.277 4.742 -11.596 858 3HD2 LEU 20 3HD2 LEU 20 9.327 3.291 -11.271 859 H CYS 21 H CYS 21 10.186 7.969 -10.154 860 HA CYS 21 HA CYS 21 8.263 9.292 -8.539 861 1HB CYS 21 2HB CYS 21 9.907 10.475 -9.999 862 2HB CYS 21 3HB CYS 21 9.068 9.865 -11.411 863 H TYR 22 H TYR 22 6.072 9.641 -9.137 864 HA TYR 22 HA TYR 22 4.929 7.550 -10.871 865 1HB TYR 22 2HB TYR 22 4.061 6.970 -8.824 866 2HB TYR 22 3HB TYR 22 4.102 8.621 -8.216 867 HD1 TYR 22 HD1 TYR 22 2.347 6.617 -10.843 868 HD2 TYR 22 HD2 TYR 22 2.085 9.697 -7.920 869 HE1 TYR 22 HE1 TYR 22 -0.059 6.838 -11.300 870 HE2 TYR 22 HE2 TYR 22 -0.323 9.926 -8.368 871 HH TYR 22 HH TYR 22 -2.149 8.694 -9.294 872 H THR 23 H THR 23 5.074 10.922 -10.133 873 HA THR 23 HA THR 23 2.732 11.792 -11.440 874 HB THR 23 HB THR 23 5.338 13.264 -11.009 875 HG1 THR 23 HG1 THR 23 2.892 13.358 -9.545 876 1HG2 THR 23 1HG2 THR 23 2.674 14.125 -12.066 877 2HG2 THR 23 2HG2 THR 23 4.292 14.550 -12.626 878 3HG2 THR 23 3HG2 THR 23 3.659 15.257 -11.141 879 H CYS 24 H CYS 24 6.126 11.334 -12.623 880 HA CYS 24 HA CYS 24 5.049 11.781 -15.311 881 1HB CYS 24 2HB CYS 24 7.289 12.412 -16.012 882 2HB CYS 24 3HB CYS 24 6.779 13.411 -14.665 883 H GLY 25 H GLY 25 7.007 9.801 -13.159 884 1HA GLY 25 1HA GLY 25 6.969 7.408 -13.270 885 2HA GLY 25 2HA GLY 25 6.697 7.530 -15.002 886 H SER 26 H SER 26 9.116 9.333 -13.189 887 HA SER 26 HA SER 26 11.184 8.064 -14.835 888 1HB SER 26 2HB SER 26 10.862 10.620 -14.690 889 2HB SER 26 3HB SER 26 11.592 10.485 -13.090 890 HG SER 26 HG SER 26 13.473 10.202 -13.986 891 HA PRO 27 HA PRO 27 12.327 5.733 -11.206 892 1HB PRO 27 2HB PRO 27 14.377 4.401 -12.386 893 2HB PRO 27 3HB PRO 27 12.682 3.970 -12.636 894 1HG PRO 27 2HG PRO 27 14.505 5.581 -14.380 895 2HG PRO 27 3HG PRO 27 13.340 4.325 -14.838 896 1HD PRO 27 2HD PRO 27 12.804 6.968 -15.084 897 2HD PRO 27 3HD PRO 27 11.547 5.769 -14.722 898 H GLY 28 H GLY 28 13.093 7.536 -9.993 899 1HA GLY 28 1HA GLY 28 15.743 7.503 -9.254 900 2HA GLY 28 2HA GLY 28 15.639 8.727 -10.509 901 H HIS 29 H HIS 29 13.603 10.219 -10.134 902 HA HIS 29 HA HIS 29 13.905 11.250 -7.410 903 1HB HIS 29 2HB HIS 29 13.102 13.356 -8.262 904 2HB HIS 29 3HB HIS 29 14.349 12.758 -9.352 905 HD1 HIS 29 HD1 HIS 29 13.745 12.732 -11.756 906 HD2 HIS 29 HD2 HIS 29 10.387 12.800 -9.311 907 HE1 HIS 29 HE1 HIS 29 11.785 12.954 -13.314 908 H TYR 30 H TYR 30 11.671 12.694 -7.020 909 HA TYR 30 HA TYR 30 9.422 10.826 -7.302 910 1HB TYR 30 2HB TYR 30 10.812 11.323 -4.898 911 2HB TYR 30 3HB TYR 30 9.279 12.178 -4.766 912 HD1 TYR 30 HD1 TYR 30 10.607 8.841 -5.806 913 HD2 TYR 30 HD2 TYR 30 7.451 11.019 -3.962 914 HE1 TYR 30 HE1 TYR 30 9.485 6.726 -5.243 915 HE2 TYR 30 HE2 TYR 30 6.320 8.909 -3.393 916 HH TYR 30 HH TYR 30 7.664 5.778 -4.387 917 H GLN 31 H GLN 31 7.365 12.016 -6.336 918 HA GLN 31 HA GLN 31 6.680 14.054 -8.059 919 1HB GLN 31 2HB GLN 31 5.002 12.792 -6.854 920 2HB GLN 31 3HB GLN 31 5.564 13.441 -5.319 921 1HG GLN 31 2HG GLN 31 4.380 15.314 -5.542 922 2HG GLN 31 3HG GLN 31 4.814 15.499 -7.241 923 1HE2 GLN 31 1HE2 GLN 31 2.754 16.056 -7.876 924 2HE2 GLN 31 2HE2 GLN 31 1.448 14.925 -7.910 925 H ALA 32 H ALA 32 7.949 14.303 -4.764 926 HA ALA 32 HA ALA 32 7.711 17.062 -4.428 927 1HB ALA 32 1HB ALA 32 9.288 16.860 -2.655 928 2HB ALA 32 2HB ALA 32 8.317 15.388 -2.665 929 3HB ALA 32 3HB ALA 32 9.950 15.371 -3.332 930 H GLN 33 H GLN 33 9.936 15.205 -6.326 931 HA GLN 33 HA GLN 33 11.361 17.687 -7.028 932 1HB GLN 33 2HB GLN 33 12.416 14.905 -6.611 933 2HB GLN 33 3HB GLN 33 13.272 16.049 -7.638 934 1HG GLN 33 2HG GLN 33 13.963 17.312 -5.900 935 2HG GLN 33 3HG GLN 33 12.504 17.011 -4.958 936 1HE2 GLN 33 1HE2 GLN 33 15.360 15.315 -6.197 937 2HE2 GLN 33 2HE2 GLN 33 15.603 14.339 -4.792 938 H CYS 34 H CYS 34 8.904 16.422 -8.266 939 HA CYS 34 HA CYS 34 9.913 15.331 -10.722 940 1HB CYS 34 2HB CYS 34 7.802 14.525 -9.629 941 2HB CYS 34 3HB CYS 34 7.061 16.070 -9.997 942 HA PRO 35 HA PRO 35 10.395 19.403 -12.484 943 1HB PRO 35 2HB PRO 35 10.958 18.559 -15.002 944 2HB PRO 35 3HB PRO 35 12.128 18.485 -13.680 945 1HG PRO 35 2HG PRO 35 10.386 16.319 -14.792 946 2HG PRO 35 3HG PRO 35 12.093 16.249 -14.318 947 1HD PRO 35 2HD PRO 35 10.101 15.323 -12.734 948 2HD PRO 35 3HD PRO 35 11.592 16.030 -12.078 949 H LYS 36 H LYS 36 8.015 17.081 -13.268 950 HA LYS 36 HA LYS 36 6.677 18.863 -15.168 951 1HB LYS 36 2HB LYS 36 6.923 16.080 -15.016 952 2HB LYS 36 3HB LYS 36 5.254 16.410 -14.573 953 1HG LYS 36 2HG LYS 36 4.788 17.422 -16.632 954 2HG LYS 36 3HG LYS 36 6.500 17.600 -17.027 955 1HD LYS 36 2HD LYS 36 6.460 14.967 -16.828 956 2HD LYS 36 3HD LYS 36 4.747 15.198 -17.184 957 1HE LYS 36 2HE LYS 36 5.807 14.869 -19.268 958 2HE LYS 36 3HE LYS 36 5.480 16.598 -19.158 959 1HZ LYS 36 1HZ LYS 36 8.093 15.372 -18.469 960 2HZ LYS 36 2HZ LYS 36 7.743 17.020 -18.619 961 3HZ LYS 36 3HZ LYS 36 7.734 16.027 -19.988 962 H LYS 37 H LYS 37 6.822 18.527 -11.932 963 HA LYS 37 HA LYS 37 4.243 18.349 -10.968 964 1HB LYS 37 2HB LYS 37 6.756 19.590 -10.039 965 2HB LYS 37 3HB LYS 37 5.290 20.228 -9.307 966 1HG LYS 37 2HG LYS 37 4.997 17.453 -9.247 967 2HG LYS 37 3HG LYS 37 6.674 17.763 -8.790 968 1HD LYS 37 2HD LYS 37 5.573 17.877 -6.754 969 2HD LYS 37 3HD LYS 37 5.647 19.572 -7.237 970 1HE LYS 37 2HE LYS 37 3.297 18.527 -8.371 971 2HE LYS 37 3HE LYS 37 3.354 17.925 -6.715 972 1HZ LYS 37 1HZ LYS 37 4.055 20.533 -6.463 973 2HZ LYS 37 2HZ LYS 37 2.515 19.900 -6.171 974 3HZ LYS 37 3HZ LYS 37 2.876 20.586 -7.674 975 H ARG 38 H ARG 38 5.925 21.463 -11.416 976 HA ARG 38 HA ARG 38 3.315 22.726 -11.856 977 1HB ARG 38 2HB ARG 38 5.411 23.475 -10.254 978 2HB ARG 38 3HB ARG 38 5.676 24.464 -11.685 979 1HG ARG 38 2HG ARG 38 4.359 25.807 -10.335 980 2HG ARG 38 3HG ARG 38 3.194 25.093 -11.452 981 1HD ARG 38 2HD ARG 38 3.172 23.252 -9.477 982 2HD ARG 38 3HD ARG 38 3.528 24.708 -8.548 983 HE ARG 38 HE ARG 38 1.359 25.135 -10.330 984 1HH1 ARG 38 2HH1 ARG 38 2.201 23.634 -7.304 985 2HH1 ARG 38 1HH1 ARG 38 0.601 23.757 -6.650 986 1HH2 ARG 38 2HH2 ARG 38 -0.750 25.302 -9.479 987 2HH2 ARG 38 1HH2 ARG 38 -1.076 24.705 -7.887 988 H LYS 39 H LYS 39 3.879 24.923 -13.269 989 HA LYS 39 HA LYS 39 5.288 24.098 -15.697 990 1HB LYS 39 2HB LYS 39 2.392 24.457 -15.413 991 2HB LYS 39 3HB LYS 39 3.091 25.386 -16.733 992 1HG LYS 39 2HG LYS 39 3.903 23.445 -17.800 993 2HG LYS 39 3HG LYS 39 3.599 22.447 -16.377 994 1HD LYS 39 2HD LYS 39 1.257 23.855 -17.488 995 2HD LYS 39 3HD LYS 39 1.940 22.581 -18.501 996 1HE LYS 39 2HE LYS 39 1.661 21.859 -15.676 997 2HE LYS 39 3HE LYS 39 0.134 22.200 -16.486 998 1HZ LYS 39 1HZ LYS 39 2.161 20.347 -17.600 999 2HZ LYS 39 2HZ LYS 39 0.549 20.530 -18.077 1000 3HZ LYS 39 3HZ LYS 39 0.913 19.833 -16.579 1001 H SER 40 H SER 40 3.098 26.791 -14.927 1002 HA SER 40 HA SER 40 5.324 28.652 -14.819 1003 1HB SER 40 2HB SER 40 3.804 30.059 -16.556 1004 2HB SER 40 3HB SER 40 5.150 29.035 -17.057 1005 HG SER 40 HG SER 40 2.625 28.813 -17.755 1006 H GLY 41 H GLY 41 4.548 30.902 -14.336 1007 1HA GLY 41 1HA GLY 41 2.119 31.808 -13.657 1008 2HA GLY 41 2HA GLY 41 2.472 30.732 -12.313 1009 H ASN 42 H ASN 42 2.065 33.581 -12.206 1010 HA ASN 42 HA ASN 42 4.428 34.272 -10.704 1011 1HB ASN 42 2HB ASN 42 5.281 35.071 -12.750 1012 2HB ASN 42 3HB ASN 42 3.715 35.695 -13.260 1013 1HD2 ASN 42 1HD2 ASN 42 3.450 37.794 -13.098 1014 2HD2 ASN 42 2HD2 ASN 42 4.322 38.854 -12.049 1015 H SER 43 H SER 43 1.930 36.268 -12.261 1016 HA SER 43 HA SER 43 0.287 37.594 -11.414 1017 1HB SER 43 2HB SER 43 0.344 36.052 -8.836 1018 2HB SER 43 3HB SER 43 -1.034 36.762 -9.675 1019 HG SER 43 HG SER 43 -0.586 35.146 -11.354 1020 H ARG 44 H ARG 44 1.113 39.573 -11.106 1021 HA ARG 44 HA ARG 44 2.600 40.081 -8.615 1022 1HB ARG 44 2HB ARG 44 3.481 40.541 -11.136 1023 2HB ARG 44 3HB ARG 44 2.720 42.086 -10.782 1024 1HG ARG 44 2HG ARG 44 4.298 42.675 -9.293 1025 2HG ARG 44 3HG ARG 44 4.478 41.032 -8.673 1026 1HD ARG 44 2HD ARG 44 5.587 40.554 -10.965 1027 2HD ARG 44 3HD ARG 44 5.758 42.306 -11.062 1028 HE ARG 44 HE ARG 44 7.255 40.512 -9.398 1029 1HH1 ARG 44 2HH1 ARG 44 6.101 43.778 -9.751 1030 2HH1 ARG 44 1HH1 ARG 44 7.350 44.464 -8.766 1031 1HH2 ARG 44 2HH2 ARG 44 8.904 41.403 -8.099 1032 2HH2 ARG 44 1HH2 ARG 44 8.945 43.113 -7.827 1033 H GLU 45 H GLU 45 1.077 40.728 -7.189 1034 HA GLU 45 HA GLU 45 0.020 43.312 -7.314 1035 1HB GLU 45 2HB GLU 45 -1.471 41.581 -8.882 1036 2HB GLU 45 3HB GLU 45 -2.369 41.640 -7.372 1037 1HG GLU 45 2HG GLU 45 -1.900 44.260 -7.732 1038 2HG GLU 45 3HG GLU 45 -1.944 43.721 -9.410 1039 H ARG 46 H ARG 46 -2.176 43.206 -5.723 1040 HA ARG 46 HA ARG 46 -1.050 42.137 -3.251 1041 1HB ARG 46 2HB ARG 46 -1.944 44.545 -3.580 1042 2HB ARG 46 3HB ARG 46 -3.537 43.813 -3.439 1043 1HG ARG 46 2HG ARG 46 -3.134 43.120 -1.223 1044 2HG ARG 46 3HG ARG 46 -1.404 43.440 -1.360 1045 1HD ARG 46 2HD ARG 46 -3.516 45.577 -1.573 1046 2HD ARG 46 3HD ARG 46 -2.717 45.145 -0.060 1047 HE ARG 46 HE ARG 46 -0.770 45.702 -2.010 1048 1HH1 ARG 46 2HH1 ARG 46 -3.187 47.308 -0.087 1049 2HH1 ARG 46 1HH1 ARG 46 -2.344 48.822 -0.056 1050 1HH2 ARG 46 2HH2 ARG 46 0.349 47.690 -1.977 1051 2HH2 ARG 46 1HH2 ARG 46 -0.334 49.038 -1.132 1052 H CYS 47 H CYS 47 -2.702 41.222 -1.569 1053 HA CYS 47 HA CYS 47 -4.568 39.517 -3.053 1054 1HB CYS 47 2HB CYS 47 -2.663 38.220 -2.197 1055 2HB CYS 47 3HB CYS 47 -2.964 38.808 -0.574 1056 H GLN 48 H GLN 48 -6.589 40.032 -2.558 1057 HA GLN 48 HA GLN 48 -7.185 41.546 -0.133 1058 1HB GLN 48 2HB GLN 48 -8.100 41.724 -2.754 1059 2HB GLN 48 3HB GLN 48 -9.447 41.007 -1.880 1060 1HG GLN 48 2HG GLN 48 -9.998 43.121 -1.431 1061 2HG GLN 48 3HG GLN 48 -8.745 43.011 -0.197 1062 1HE2 GLN 48 1HE2 GLN 48 -7.145 44.427 -0.270 1063 2HE2 GLN 48 2HE2 GLN 48 -6.763 45.449 -1.609 1064 H LEU 49 H LEU 49 -6.561 38.707 0.007 1065 HA LEU 49 HA LEU 49 -9.095 37.769 1.174 1066 1HB LEU 49 2HB LEU 49 -7.715 36.630 -0.992 1067 2HB LEU 49 3HB LEU 49 -7.415 35.577 0.389 1068 HG LEU 49 HG LEU 49 -10.213 36.402 -0.261 1069 1HD1 LEU 49 1HD1 LEU 49 -9.009 33.952 -1.481 1070 2HD1 LEU 49 2HD1 LEU 49 -8.934 35.501 -2.319 1071 3HD1 LEU 49 3HD1 LEU 49 -10.498 34.799 -1.904 1072 1HD2 LEU 49 1HD2 LEU 49 -10.475 35.126 1.554 1073 2HD2 LEU 49 2HD2 LEU 49 -8.843 34.467 1.437 1074 3HD2 LEU 49 3HD2 LEU 49 -10.149 33.762 0.484 1075 H CYS 50 H CYS 50 -5.507 37.781 1.293 1076 HA CYS 50 HA CYS 50 -5.785 37.024 4.104 1077 1HB CYS 50 2HB CYS 50 -3.976 35.522 4.038 1078 2HB CYS 50 3HB CYS 50 -4.945 35.108 2.639 1079 H ASN 51 H ASN 51 -5.405 39.462 2.259 1080 HA ASN 51 HA ASN 51 -4.334 41.469 2.302 1081 1HB ASN 51 2HB ASN 51 -4.486 40.608 4.959 1082 2HB ASN 51 3HB ASN 51 -2.824 41.152 4.756 1083 1HD2 ASN 51 1HD2 ASN 51 -6.163 42.071 4.769 1084 2HD2 ASN 51 2HD2 ASN 51 -5.907 43.779 4.787 1085 H GLY 52 H GLY 52 -2.951 38.895 1.414 1086 1HA GLY 52 1HA GLY 52 -0.191 39.099 1.924 1087 2HA GLY 52 2HA GLY 52 -0.916 38.293 0.541 1088 H MET 53 H MET 53 1.500 39.663 0.368 1089 HA MET 53 HA MET 53 0.733 41.886 -1.399 1090 1HB MET 53 2HB MET 53 1.709 42.721 0.739 1091 2HB MET 53 3HB MET 53 3.184 41.840 0.367 1092 1HG MET 53 2HG MET 53 3.128 43.208 -1.841 1093 2HG MET 53 3HG MET 53 2.052 44.271 -0.936 1094 1HE MET 53 1HE MET 53 5.098 43.778 -2.246 1095 2HE MET 53 2HE MET 53 6.222 44.809 -1.362 1096 3HE MET 53 3HE MET 53 6.104 43.093 -0.968 1097 H GLY 54 H GLY 54 0.910 40.626 -3.248 1098 1HA GLY 54 1HA GLY 54 3.089 40.587 -4.772 1099 2HA GLY 54 2HA GLY 54 3.398 39.192 -3.748 1100 H HIS 55 H HIS 55 1.121 37.881 -3.532 1101 HA HIS 55 HA HIS 55 0.631 36.982 -6.252 1102 1HB HIS 55 2HB HIS 55 -0.542 35.092 -5.164 1103 2HB HIS 55 3HB HIS 55 1.107 35.287 -4.575 1104 HD1 HIS 55 HD1 HIS 55 1.306 36.514 -2.176 1105 HD2 HIS 55 HD2 HIS 55 -2.452 35.086 -3.222 1106 HE1 HIS 55 HE1 HIS 55 0.002 36.419 -0.028 1107 H ASN 56 H ASN 56 -1.852 36.006 -6.278 1108 HA ASN 56 HA ASN 56 -3.560 38.364 -5.824 1109 1HB ASN 56 2HB ASN 56 -2.962 37.063 -8.241 1110 2HB ASN 56 3HB ASN 56 -4.606 36.578 -7.839 1111 1HD2 ASN 56 1HD2 ASN 56 -3.185 38.543 -9.770 1112 2HD2 ASN 56 2HD2 ASN 56 -4.167 39.961 -9.658 1113 H ALA 57 H ALA 57 -5.745 37.998 -5.243 1114 HA ALA 57 HA ALA 57 -6.181 36.062 -3.304 1115 1HB ALA 57 1HB ALA 57 -7.577 38.238 -4.299 1116 2HB ALA 57 2HB ALA 57 -8.651 36.867 -4.584 1117 3HB ALA 57 3HB ALA 57 -8.061 37.201 -2.956 1118 H LYS 58 H LYS 58 -7.081 36.046 -6.731 1119 HA LYS 58 HA LYS 58 -8.564 33.673 -6.734 1120 1HB LYS 58 2HB LYS 58 -8.088 35.507 -8.596 1121 2HB LYS 58 3HB LYS 58 -6.867 34.342 -9.093 1122 1HG LYS 58 2HG LYS 58 -8.921 32.676 -8.887 1123 2HG LYS 58 3HG LYS 58 -9.821 34.162 -9.197 1124 1HD LYS 58 2HD LYS 58 -9.469 33.553 -11.353 1125 2HD LYS 58 3HD LYS 58 -7.941 34.395 -11.088 1126 1HE LYS 58 2HE LYS 58 -6.730 32.467 -11.040 1127 2HE LYS 58 3HE LYS 58 -8.057 31.523 -10.364 1128 1HZ LYS 58 1HZ LYS 58 -7.571 30.874 -12.640 1129 2HZ LYS 58 2HZ LYS 58 -7.859 32.451 -13.178 1130 3HZ LYS 58 3HZ LYS 58 -9.125 31.535 -12.528 1131 H GLN 59 H GLN 59 -5.166 34.217 -6.523 1132 HA GLN 59 HA GLN 59 -4.673 31.335 -6.885 1133 1HB GLN 59 2HB GLN 59 -3.378 33.575 -8.034 1134 2HB GLN 59 3HB GLN 59 -2.245 32.859 -6.896 1135 1HG GLN 59 2HG GLN 59 -1.754 31.736 -8.839 1136 2HG GLN 59 3HG GLN 59 -2.876 30.630 -8.049 1137 1HE2 GLN 59 1HE2 GLN 59 -4.312 29.794 -9.364 1138 2HE2 GLN 59 2HE2 GLN 59 -4.987 30.553 -10.762 1139 H CYS 60 H CYS 60 -5.506 33.063 -4.403 1140 HA CYS 60 HA CYS 60 -3.171 32.757 -2.752 1141 1HB CYS 60 2HB CYS 60 -4.615 34.712 -2.445 1142 2HB CYS 60 3HB CYS 60 -5.985 33.681 -2.083 1143 H ARG 61 H ARG 61 -2.940 31.190 -1.201 1144 HA ARG 61 HA ARG 61 -3.973 28.655 -1.588 1145 1HB ARG 61 2HB ARG 61 -2.334 29.986 0.414 1146 2HB ARG 61 3HB ARG 61 -3.337 28.725 1.118 1147 1HG ARG 61 2HG ARG 61 -2.453 27.185 -0.672 1148 2HG ARG 61 3HG ARG 61 -1.288 28.452 -1.060 1149 1HD ARG 61 2HD ARG 61 -0.010 27.938 0.695 1150 2HD ARG 61 3HD ARG 61 -1.396 27.909 1.785 1151 HE ARG 61 HE ARG 61 -0.089 25.663 0.627 1152 1HH1 ARG 61 2HH1 ARG 61 -3.195 26.849 1.659 1153 2HH1 ARG 61 1HH1 ARG 61 -3.839 25.271 1.973 1154 1HH2 ARG 61 2HH2 ARG 61 -0.926 23.581 1.036 1155 2HH2 ARG 61 1HH2 ARG 61 -2.547 23.413 1.618 1156 H LYS 62 H LYS 62 -4.686 30.548 1.343 1157 HA LYS 62 HA LYS 62 -7.477 30.476 1.121 1158 1HB LYS 62 2HB LYS 62 -7.367 28.096 1.346 1159 2HB LYS 62 3HB LYS 62 -6.252 28.215 2.700 1160 1HG LYS 62 2HG LYS 62 -8.441 27.633 3.504 1161 2HG LYS 62 3HG LYS 62 -8.036 29.264 4.039 1162 1HD LYS 62 2HD LYS 62 -9.301 30.047 1.943 1163 2HD LYS 62 3HD LYS 62 -9.955 28.409 1.897 1164 1HE LYS 62 2HE LYS 62 -11.408 28.874 3.517 1165 2HE LYS 62 3HE LYS 62 -10.129 29.502 4.556 1166 1HZ LYS 62 1HZ LYS 62 -10.911 31.528 4.210 1167 2HZ LYS 62 2HZ LYS 62 -12.112 30.928 3.180 1168 3HZ LYS 62 3HZ LYS 62 -10.609 31.385 2.552 1169 H ARG 63 H ARG 63 -8.444 31.667 2.721 1170 HA ARG 63 HA ARG 63 -7.457 32.071 5.309 1171 1HB ARG 63 2HB ARG 63 -5.888 33.398 3.455 1172 2HB ARG 63 3HB ARG 63 -6.996 34.646 4.011 1173 1HG ARG 63 2HG ARG 63 -5.771 32.997 6.119 1174 2HG ARG 63 3HG ARG 63 -4.673 34.046 5.222 1175 1HD ARG 63 2HD ARG 63 -5.822 35.983 5.860 1176 2HD ARG 63 3HD ARG 63 -7.256 35.079 6.344 1177 HE ARG 63 HE ARG 63 -6.289 34.692 8.392 1178 1HH1 ARG 63 2HH1 ARG 63 -3.901 35.942 6.190 1179 2HH1 ARG 63 1HH1 ARG 63 -2.703 36.180 7.418 1180 1HH2 ARG 63 2HH2 ARG 63 -4.721 35.002 10.019 1181 2HH2 ARG 63 1HH2 ARG 63 -3.170 35.644 9.596 1182 H ASP 64 H ASP 64 -8.652 33.700 6.491 1183 HA ASP 64 HA ASP 64 -11.331 33.994 5.457 1184 1HB ASP 64 2HB ASP 64 -11.971 34.551 7.637 1185 2HB ASP 64 3HB ASP 64 -10.639 33.426 7.883 Start of MODEL 3 1 1H5* C 160 1H5* C 160 25.966 16.792 -14.063 2 2H5* C 160 2H5* C 160 24.614 17.505 -13.183 3 H4* C 160 H4* C 160 25.730 16.174 -11.616 4 H3* C 160 H3* C 160 26.384 19.083 -11.274 5 H2* C 160 H2* C 160 27.714 18.577 -9.369 6 2HO* C 160 2HO* C 160 27.665 16.006 -9.072 7 H1* C 160 H1* C 160 29.117 16.535 -10.655 8 1H4 C 160 1H4 C 160 32.580 21.881 -11.401 9 2H4 C 160 2H4 C 160 31.833 22.078 -12.971 10 H5 C 160 H5 C 160 30.070 20.724 -13.768 11 H6 C 160 H6 C 160 28.575 18.829 -13.250 12 1H5* U 161 1H5* U 161 25.010 18.030 -7.288 13 2H5* U 161 2H5* U 161 24.045 19.389 -6.712 14 H4* U 161 H4* U 161 25.959 18.917 -5.256 15 H3* U 161 H3* U 161 25.845 21.584 -6.648 16 H2* U 161 H2* U 161 27.748 22.287 -5.407 17 2HO* U 161 2HO* U 161 27.274 21.327 -3.449 18 H1* U 161 H1* U 161 29.170 19.923 -5.959 19 H3 U 161 H3 U 161 31.114 23.513 -8.125 20 H5 U 161 H5 U 161 28.253 21.973 -10.765 21 H6 U 161 H6 U 161 27.443 20.578 -8.919 22 1H5* G 162 1H5* G 162 25.773 22.549 -2.105 23 2H5* G 162 2H5* G 162 24.709 23.955 -2.059 24 H4* G 162 H4* G 162 26.869 24.359 -0.960 25 H3* G 162 H3* G 162 26.094 26.020 -3.338 26 H2* G 162 H2* G 162 28.054 27.347 -3.055 27 2HO* G 162 2HO* G 162 28.816 25.695 -0.864 28 H1* G 162 H1* G 162 29.740 25.128 -2.897 29 H8 G 162 H8 G 162 27.170 24.257 -5.393 30 H1 G 162 H1 G 162 31.660 28.276 -7.753 31 1H2 G 162 1H2 G 162 32.801 29.020 -6.205 32 2H2 G 162 2H2 G 162 32.574 28.616 -4.518 33 1H5* C 163 1H5* C 163 27.256 28.525 -0.448 34 2H5* C 163 2H5* C 163 26.088 29.751 0.045 35 H4* C 163 H4* C 163 28.026 30.968 -0.329 36 H3* C 163 H3* C 163 26.210 31.138 -2.710 37 H2* C 163 H2* C 163 27.746 32.568 -3.818 38 2HO* C 163 2HO* C 163 29.161 33.676 -2.536 39 H1* C 163 H1* C 163 29.953 30.919 -3.234 40 1H4 C 163 1H4 C 163 28.255 29.206 -9.142 41 2H4 C 163 2H4 C 163 26.950 28.246 -8.484 42 H5 C 163 H5 C 163 26.383 28.189 -6.191 43 H6 C 163 H6 C 163 26.937 29.048 -3.944 44 1H5* C 164 1H5* C 164 27.386 35.069 -1.658 45 2H5* C 164 2H5* C 164 26.029 36.196 -1.666 46 H4* C 164 H4* C 164 27.736 37.114 -3.038 47 H3* C 164 H3* C 164 25.361 36.064 -4.537 48 H2* C 164 H2* C 164 26.304 36.786 -6.597 49 2HO* C 164 2HO* C 164 28.667 37.771 -5.876 50 H1* C 164 H1* C 164 28.820 35.650 -5.996 51 1H4 C 164 1H4 C 164 25.953 31.346 -9.742 52 2H4 C 164 2H4 C 164 25.072 30.744 -8.356 53 H5 C 164 H5 C 164 25.154 31.735 -6.213 54 H6 C 164 H6 C 164 26.112 33.567 -4.861 55 1H5* C 165 1H5* C 165 26.022 40.143 -5.694 56 2H5* C 165 2H5* C 165 24.524 41.033 -5.964 57 H4* C 165 H4* C 165 25.921 41.123 -7.934 58 H3* C 165 H3* C 165 23.350 39.584 -8.173 59 H2* C 165 H2* C 165 23.761 39.255 -10.490 60 2HO* C 165 2HO* C 165 26.231 40.606 -10.377 61 H1* C 165 H1* C 165 26.428 38.454 -10.056 62 1H4 C 165 1H4 C 165 23.121 33.009 -10.574 63 2H4 C 165 2H4 C 165 22.708 33.123 -8.878 64 H5 C 165 H5 C 165 23.249 34.972 -7.512 65 H6 C 165 H6 C 165 24.330 37.191 -7.438 66 1H5* U 166 1H5* U 166 23.194 42.527 -11.276 67 2H5* U 166 2H5* U 166 21.604 43.287 -11.317 68 H4* U 166 H4* U 166 22.102 42.424 -13.491 69 H3* U 166 H3* U 166 19.956 40.942 -11.994 70 H2* U 166 H2* U 166 19.557 39.594 -13.912 71 2HO* U 166 2HO* U 166 21.588 40.766 -15.431 72 H1* U 166 H1* U 166 22.296 39.072 -14.300 73 H3 U 166 H3 U 166 20.218 35.173 -13.019 74 H5 U 166 H5 U 166 21.195 37.149 -9.458 75 H6 U 166 H6 U 166 21.789 39.100 -10.819 76 1H5* C 167 1H5* C 167 17.935 42.214 -15.701 77 2H5* C 167 2H5* C 167 16.410 42.935 -15.186 78 H4* C 167 H4* C 167 15.939 41.276 -16.834 79 H3* C 167 H3* C 167 15.137 40.506 -14.037 80 H2* C 167 H2* C 167 14.110 38.541 -14.892 81 2HO* C 167 2HO* C 167 14.481 38.536 -17.452 82 H1* C 167 H1* C 167 16.342 37.887 -16.481 83 1H4 C 167 1H4 C 167 16.961 34.432 -11.132 84 2H4 C 167 2H4 C 167 17.805 35.776 -10.398 85 H5 C 167 H5 C 167 18.048 37.893 -11.420 86 H6 C 167 H6 C 167 17.537 39.252 -13.417 87 1H5* A 168 1H5* A 168 13.312 44.210 -13.841 88 2H5* A 168 2H5* A 168 11.817 43.821 -12.990 89 H4* A 168 H4* A 168 11.028 44.931 -15.456 90 H3* A 168 H3* A 168 13.399 46.398 -14.296 91 H2* A 168 H2* A 168 12.361 48.413 -14.734 92 2HO* A 168 2HO* A 168 10.911 48.458 -16.579 93 H1* A 168 H1* A 168 9.708 47.051 -14.634 94 H8 A 168 H8 A 168 10.850 50.050 -14.175 95 1H6 A 168 1H6 A 168 9.056 50.560 -8.219 96 2H6 A 168 2H6 A 168 9.552 51.464 -9.632 97 H2 A 168 H2 A 168 9.091 46.250 -9.295 98 1H5* U 169 1H5* U 169 16.055 47.402 -16.995 99 2H5* U 169 2H5* U 169 16.288 47.121 -18.720 100 H4* U 169 H4* U 169 17.306 45.054 -16.824 101 H3* U 169 H3* U 169 18.520 47.805 -17.101 102 H2* U 169 H2* U 169 20.648 46.855 -16.993 103 2HO* U 169 2HO* U 169 20.829 45.202 -15.573 104 H1* U 169 H1* U 169 19.641 44.422 -18.318 105 H3 U 169 H3 U 169 23.373 45.038 -20.775 106 H5 U 169 H5 U 169 21.127 48.486 -21.548 107 H6 U 169 H6 U 169 19.534 47.709 -19.853 108 1H5* C 170 1H5* C 170 16.319 48.447 -15.188 109 2H5* C 170 2H5* C 170 16.451 49.990 -14.344 110 H4* C 170 H4* C 170 14.325 48.981 -13.850 111 H3* C 170 H3* C 170 16.273 49.080 -11.555 112 H2* C 170 H2* C 170 14.573 48.274 -10.107 113 2HO* C 170 2HO* C 170 12.664 48.061 -12.147 114 H1* C 170 H1* C 170 13.798 46.241 -11.902 115 1H4 C 170 1H4 C 170 17.690 43.365 -7.729 116 2H4 C 170 2H4 C 170 19.065 43.919 -8.658 117 H5 C 170 H5 C 170 18.901 45.372 -10.512 118 H6 C 170 H6 C 170 17.361 46.665 -11.946 119 1H5* C 171 1H5* C 171 13.288 52.193 -11.843 120 2H5* C 171 2H5* C 171 13.446 53.913 -11.489 121 H4* C 171 H4* C 171 12.080 53.128 -9.787 122 H3* C 171 H3* C 171 14.924 53.254 -8.786 123 H2* C 171 H2* C 171 14.144 52.694 -6.621 124 2HO* C 171 2HO* C 171 12.286 53.875 -6.487 125 H1* C 171 H1* C 171 12.396 50.685 -7.648 126 1H4 C 171 1H4 C 171 17.447 47.607 -5.191 127 2H4 C 171 2H4 C 171 18.235 47.747 -6.746 128 H5 C 171 H5 C 171 17.360 48.983 -8.558 129 H6 C 171 H6 C 171 15.494 50.403 -9.332 130 1H5* G 172 1H5* G 172 12.519 55.882 -6.074 131 2H5* G 172 2H5* G 172 13.415 57.400 -6.067 132 H4* G 172 H4* G 172 12.995 56.936 -3.815 133 H3* G 172 H3* G 172 15.809 56.259 -4.594 134 H2* G 172 H2* G 172 16.302 55.609 -2.354 135 2HO* G 172 2HO* G 172 14.678 56.079 -0.755 136 H1* G 172 H1* G 172 14.067 53.949 -2.163 137 H8 G 172 H8 G 172 15.550 53.829 -5.604 138 H1 G 172 H1 G 172 18.426 49.856 -1.382 139 1H2 G 172 1H2 G 172 17.739 50.259 0.521 140 2H2 G 172 2H2 G 172 16.559 51.489 0.914 141 1H5* U 173 1H5* U 173 15.987 58.333 -1.183 142 2H5* U 173 2H5* U 173 16.977 59.793 -1.190 143 H4* U 173 H4* U 173 17.735 58.637 0.670 144 H3* U 173 H3* U 173 19.564 58.112 -1.659 145 H2* U 173 H2* U 173 20.991 56.845 -0.244 146 2HO* U 173 2HO* U 173 19.198 57.416 1.911 147 H1* U 173 H1* U 173 18.861 55.378 0.858 148 H3 U 173 H3 U 173 21.065 52.296 -1.636 149 H5 U 173 H5 U 173 19.015 54.609 -4.463 150 H6 U 173 H6 U 173 18.392 56.116 -2.631 151 1H5* C 174 1H5* C 174 21.877 59.377 1.513 152 2H5* C 174 2H5* C 174 23.067 60.617 1.119 153 H4* C 174 H4* C 174 24.246 58.872 2.177 154 H3* C 174 H3* C 174 24.674 58.961 -0.791 155 H2* C 174 H2* C 174 26.191 57.144 -0.660 156 2HO* C 174 2HO* C 174 27.267 57.053 1.225 157 H1* C 174 H1* C 174 24.469 55.663 1.043 158 1H4 C 174 1H4 C 174 23.564 53.108 -4.735 159 2H4 C 174 2H4 C 174 22.545 54.463 -5.168 160 H5 C 174 H5 C 174 22.201 56.346 -3.784 161 H6 C 174 H6 C 174 22.755 57.404 -1.622 162 1H5* U 175 1H5* U 175 28.108 61.782 2.295 163 2H5* U 175 2H5* U 175 26.783 62.498 1.376 164 H4* U 175 H4* U 175 28.228 63.902 0.159 165 H3* U 175 H3* U 175 30.496 62.135 1.095 166 H2* U 175 H2* U 175 31.954 63.947 0.834 167 2HO* U 175 2HO* U 175 31.512 65.184 -0.905 168 H1* U 175 H1* U 175 29.854 65.810 1.662 169 H3 U 175 H3 U 175 33.067 67.163 4.509 170 H5 U 175 H5 U 175 32.464 63.162 5.591 171 H6 U 175 H6 U 175 30.943 62.977 3.676 172 1H5* C 176 1H5* C 176 29.614 59.487 -1.096 173 2H5* C 176 2H5* C 176 29.715 59.486 0.664 174 H4* C 176 H4* C 176 31.681 57.978 0.518 175 H3* C 176 H3* C 176 31.260 58.292 -2.425 176 H2* C 176 H2* C 176 31.759 56.002 -2.811 177 2HO* C 176 2HO* C 176 32.834 54.895 -1.182 178 H1* C 176 H1* C 176 30.036 55.101 -0.791 179 1H4 C 176 1H4 C 176 26.722 54.868 -6.277 180 2H4 C 176 2H4 C 176 26.071 56.443 -5.885 181 H5 C 176 H5 C 176 26.793 57.747 -4.053 182 H6 C 176 H6 C 176 28.334 57.862 -2.127 183 1H5* G 177 1H5* G 177 35.086 56.238 -2.210 184 2H5* G 177 2H5* G 177 36.237 57.371 -2.919 185 H4* G 177 H4* G 177 36.696 55.325 -3.949 186 H3* G 177 H3* G 177 35.126 57.160 -5.715 187 H2* G 177 H2* G 177 35.107 55.544 -7.466 188 2HO* G 177 2HO* G 177 36.278 53.426 -6.552 189 H1* G 177 H1* G 177 34.195 53.498 -5.803 190 H8 G 177 H8 G 177 32.511 56.601 -4.699 191 H1 G 177 H1 G 177 29.846 54.053 -10.019 192 1H2 G 177 1H2 G 177 31.078 52.578 -10.767 193 2H2 G 177 2H2 G 177 32.604 52.103 -10.060 194 1H5* C 178 1H5* C 178 38.352 55.850 -8.118 195 2H5* C 178 2H5* C 178 39.073 57.187 -9.014 196 H4* C 178 H4* C 178 38.374 55.466 -10.544 197 H3* C 178 H3* C 178 36.828 58.040 -10.655 198 H2* C 178 H2* C 178 35.589 57.226 -12.508 199 2HO* C 178 2HO* C 178 36.577 54.750 -12.806 200 H1* C 178 H1* C 178 35.132 54.719 -11.266 201 1H4 C 178 1H4 C 178 29.734 57.994 -10.318 202 2H4 C 178 2H4 C 178 30.493 58.843 -8.991 203 H5 C 178 H5 C 178 32.770 58.605 -8.408 204 H6 C 178 H6 C 178 34.899 57.482 -8.960 205 1H5* U 179 1H5* U 179 38.651 57.671 -14.797 206 2H5* U 179 2H5* U 179 38.901 59.332 -15.335 207 H4* U 179 H4* U 179 37.430 57.988 -16.817 208 H3* U 179 H3* U 179 36.425 60.534 -15.571 209 H2* U 179 H2* U 179 34.412 60.344 -16.816 210 2HO* U 179 2HO* U 179 34.616 58.146 -18.201 211 H1* U 179 H1* U 179 34.067 57.630 -16.157 212 H3 U 179 H3 U 179 30.787 60.121 -14.092 213 H5 U 179 H5 U 179 34.055 60.152 -11.473 214 H6 U 179 H6 U 179 35.378 59.131 -13.269 215 1H5* U 180 1H5* U 180 35.805 60.791 -19.457 216 2H5* U 180 2H5* U 180 36.206 62.276 -20.318 217 H4* U 180 H4* U 180 33.903 61.841 -20.682 218 H3* U 180 H3* U 180 34.453 64.127 -18.823 219 H2* U 180 H2* U 180 32.133 64.553 -18.592 220 2HO* U 180 2HO* U 180 31.096 64.103 -20.443 221 H1* U 180 H1* U 180 31.533 61.801 -18.219 222 H3 U 180 H3 U 180 30.412 63.533 -14.196 223 H5 U 180 H5 U 180 34.594 63.761 -14.236 224 H6 U 180 H6 U 180 34.512 63.027 -16.575 225 1H5* A 181 1H5* A 181 34.025 66.816 -22.854 226 2H5* A 181 2H5* A 181 34.905 68.213 -22.235 227 H4* A 181 H4* A 181 32.427 68.517 -22.615 228 H3* A 181 H3* A 181 33.756 69.171 -19.994 229 H2* A 181 H2* A 181 31.705 70.061 -19.193 230 2HO* A 181 2HO* A 181 30.200 70.664 -20.718 231 H1* A 181 H1* A 181 30.204 67.854 -20.054 232 H8 A 181 H8 A 181 33.550 66.849 -18.685 233 1H6 A 181 1H6 A 181 30.804 66.616 -13.086 234 2H6 A 181 2H6 A 181 32.273 66.245 -13.960 235 H2 A 181 H2 A 181 27.936 68.412 -15.966 236 1H5* U 182 1H5* U 182 33.872 73.728 -18.935 237 2H5* U 182 2H5* U 182 32.214 73.541 -18.366 238 H4* U 182 H4* U 182 33.317 75.292 -20.502 239 H3* U 182 H3* U 182 31.321 75.568 -18.266 240 H2* U 182 H2* U 182 30.261 77.329 -19.405 241 2HO* U 182 2HO* U 182 31.715 77.783 -21.544 242 H1* U 182 H1* U 182 30.646 75.993 -21.955 243 H3 U 182 H3 U 182 26.174 76.669 -22.005 244 H5 U 182 H5 U 182 26.717 73.878 -18.931 245 H6 U 182 H6 U 182 29.134 74.181 -19.218 246 1H5* U 183 1H5* U 183 33.546 75.371 -15.883 247 2H5* U 183 2H5* U 183 34.311 76.303 -14.597 248 H4* U 183 H4* U 183 35.551 74.870 -16.912 249 H3* U 183 H3* U 183 35.991 74.958 -13.935 250 H2* U 183 H2* U 183 38.242 74.474 -14.221 251 2HO* U 183 2HO* U 183 38.634 72.946 -15.734 252 H1* U 183 H1* U 183 38.195 75.812 -16.866 253 H3 U 183 H3 U 183 42.172 77.053 -14.928 254 H5 U 183 H5 U 183 39.236 79.349 -13.018 255 H6 U 183 H6 U 183 37.558 77.963 -14.150 256 1H5* C 184 1H5* C 184 34.995 69.745 -13.039 257 2H5* C 184 2H5* C 184 33.277 69.811 -13.431 258 H4* C 184 H4* C 184 34.729 71.030 -11.093 259 H3* C 184 H3* C 184 32.524 69.010 -11.418 260 H2* C 184 H2* C 184 31.467 69.774 -9.514 261 2HO* C 184 2HO* C 184 33.329 69.446 -8.252 262 H1* C 184 H1* C 184 32.769 72.436 -9.878 263 1H4 C 184 1H4 C 184 26.128 72.599 -10.696 264 2H4 C 184 2H4 C 184 26.536 73.978 -9.700 265 H5 C 184 H5 C 184 28.734 74.492 -9.002 266 H6 C 184 H6 C 184 31.103 73.801 -9.088 267 1H5* G 185 1H5* G 185 32.917 66.052 -9.544 268 2H5* G 185 2H5* G 185 33.825 67.150 -8.506 269 H4* G 185 H4* G 185 33.939 64.159 -8.673 270 H3* G 185 H3* G 185 33.432 66.181 -6.520 271 H2* G 185 H2* G 185 34.342 64.710 -4.881 272 2HO* G 185 2HO* G 185 33.797 62.698 -5.534 273 H1* G 185 H1* G 185 36.666 64.233 -6.349 274 H8 G 185 H8 G 185 34.772 67.557 -5.962 275 H1 G 185 H1 G 185 40.400 67.146 -2.793 276 1H2 G 185 1H2 G 185 41.230 65.284 -3.103 277 2H2 G 185 2H2 G 185 40.508 64.022 -4.076 278 1H5* G 186 1H5* G 186 28.355 65.584 -5.943 279 2H5* G 186 2H5* G 186 29.125 67.169 -6.026 280 H4* G 186 H4* G 186 28.386 65.524 -3.650 281 H3* G 186 H3* G 186 28.001 68.351 -4.545 282 H2* G 186 H2* G 186 27.960 69.118 -2.289 283 2HO* G 186 2HO* G 186 27.804 67.526 -0.649 284 H1* G 186 H1* G 186 30.322 67.792 -1.617 285 H8 G 186 H8 G 186 28.883 70.129 -4.232 286 H1 G 186 H1 G 186 34.808 71.712 -2.167 287 1H2 G 186 1H2 G 186 35.534 70.217 -0.947 288 2H2 G 186 2H2 G 186 34.667 68.752 -0.544 289 1H5* G 187 1H5* G 187 23.665 65.660 -5.328 290 2H5* G 187 2H5* G 187 25.264 66.343 -5.620 291 H4* G 187 H4* G 187 22.707 67.815 -6.271 292 H3* G 187 H3* G 187 24.100 65.710 -7.861 293 H2* G 187 H2* G 187 23.887 66.970 -9.872 294 2HO* G 187 2HO* G 187 22.740 69.138 -9.472 295 H1* G 187 H1* G 187 24.956 69.284 -8.740 296 H8 G 187 H8 G 187 26.863 66.524 -7.237 297 H1 G 187 H1 G 187 28.692 67.752 -13.321 298 1H2 G 187 1H2 G 187 27.316 69.001 -14.215 299 2H2 G 187 2H2 G 187 25.881 69.624 -13.432 300 1H5* G 188 1H5* G 188 21.238 67.069 -10.547 301 2H5* G 188 2H5* G 188 20.072 65.751 -10.653 302 H4* G 188 H4* G 188 20.433 66.310 -12.868 303 H3* G 188 H3* G 188 22.161 63.962 -12.134 304 H2* G 188 H2* G 188 22.910 63.821 -14.392 305 2HO* G 188 2HO* G 188 21.584 66.056 -15.322 306 H1* G 188 H1* G 188 23.527 66.544 -14.531 307 H8 G 188 H8 G 188 24.477 65.526 -11.132 308 H1 G 188 H1 G 188 28.745 63.540 -15.573 309 1H2 G 188 1H2 G 188 27.939 63.775 -17.457 310 2H2 G 188 2H2 G 188 26.344 64.415 -17.785 311 1H5* A 189 1H5* A 189 20.188 62.213 -15.987 312 2H5* A 189 2H5* A 189 19.931 60.606 -15.306 313 H4* A 189 H4* A 189 21.331 60.700 -17.389 314 H3* A 189 H3* A 189 22.321 59.383 -14.870 315 H2* A 189 H2* A 189 24.244 58.628 -16.041 316 2HO* A 189 2HO* A 189 23.815 59.714 -18.480 317 H1* A 189 H1* A 189 24.731 61.143 -17.201 318 H8 A 189 H8 A 189 23.608 61.430 -13.637 319 1H6 A 189 1H6 A 189 29.618 60.869 -12.051 320 2H6 A 189 2H6 A 189 28.019 61.229 -11.441 321 H2 A 189 H2 A 189 29.245 60.040 -16.401 322 1H5* G 190 1H5* G 190 22.451 56.308 -18.200 323 2H5* G 190 2H5* G 190 21.930 54.809 -17.430 324 H4* G 190 H4* G 190 24.027 54.497 -18.612 325 H3* G 190 H3* G 190 24.066 54.221 -15.621 326 H2* G 190 H2* G 190 26.351 53.550 -15.713 327 2HO* G 190 2HO* G 190 27.080 52.782 -17.655 328 H1* G 190 H1* G 190 27.098 55.705 -17.321 329 H8 G 190 H8 G 190 24.537 56.965 -14.967 330 H1 G 190 H1 G 190 30.386 56.410 -12.253 331 1H2 G 190 1H2 G 190 31.630 55.347 -13.508 332 2H2 G 190 2H2 G 190 31.158 54.701 -15.064 333 1H5* C 191 1H5* C 191 25.455 50.272 -17.053 334 2H5* C 191 2H5* C 191 24.951 49.071 -15.863 335 H4* C 191 H4* C 191 27.404 49.213 -16.160 336 H3* C 191 H3* C 191 26.188 49.732 -13.457 337 H2* C 191 H2* C 191 28.365 49.872 -12.518 338 2HO* C 191 2HO* C 191 29.589 49.460 -15.028 339 H1* C 191 H1* C 191 29.296 51.586 -14.550 340 1H4 C 191 1H4 C 191 27.664 55.396 -9.673 341 2H4 C 191 2H4 C 191 26.040 55.467 -10.318 342 H5 C 191 H5 C 191 25.296 54.184 -12.156 343 H6 C 191 H6 C 191 25.935 52.500 -13.846 344 1H5* G 192 1H5* G 192 29.364 46.708 -12.726 345 2H5* G 192 2H5* G 192 28.466 45.425 -11.916 346 H4* G 192 H4* G 192 30.410 45.865 -10.626 347 H3* G 192 H3* G 192 27.864 46.873 -9.388 348 H2* G 192 H2* G 192 29.073 47.528 -7.443 349 2HO* G 192 2HO* G 192 31.589 46.991 -8.029 350 H1* G 192 H1* G 192 31.019 48.896 -8.902 351 H8 G 192 H8 G 192 27.744 49.388 -10.586 352 H1 G 192 H1 G 192 28.589 53.276 -5.481 353 1H2 G 192 1H2 G 192 30.248 52.666 -4.419 354 2H2 G 192 2H2 G 192 31.259 51.304 -4.847 355 1H5* G 193 1H5* G 193 29.976 44.487 -6.443 356 2H5* G 193 2H5* G 193 28.813 43.481 -5.581 357 H4* G 193 H4* G 193 30.187 44.785 -4.047 358 H3* G 193 H3* G 193 27.234 45.328 -4.118 359 H2* G 193 H2* G 193 27.467 46.856 -2.306 360 2HO* G 193 2HO* G 193 29.951 46.996 -1.693 361 H1* G 193 H1* G 193 29.567 48.238 -3.516 362 H8 G 193 H8 G 193 27.237 47.281 -6.222 363 H1 G 193 H1 G 193 25.186 52.410 -2.850 364 1H2 G 193 1H2 G 193 26.329 52.616 -1.145 365 2H2 G 193 2H2 G 193 27.647 51.557 -0.697 366 1H5* A 194 1H5* A 194 27.962 44.487 0.128 367 2H5* A 194 2H5* A 194 26.898 43.128 0.482 368 H4* A 194 H4* A 194 26.524 44.722 2.176 369 H3* A 194 H3* A 194 24.317 44.642 0.139 370 H2* A 194 H2* A 194 23.085 46.239 1.401 371 2HO* A 194 2HO* A 194 25.121 46.509 3.323 372 H1* A 194 H1* A 194 25.247 47.981 1.664 373 H8 A 194 H8 A 194 25.231 46.282 -1.685 374 1H6 A 194 1H6 A 194 21.609 50.968 -3.653 375 2H6 A 194 2H6 A 194 22.520 49.567 -4.169 376 H2 A 194 H2 A 194 22.055 51.312 0.756 377 1H5* C 195 1H5* C 195 22.793 44.325 3.933 378 2H5* C 195 2H5* C 195 21.565 43.090 4.206 379 H4* C 195 H4* C 195 20.663 45.118 5.001 380 H3* C 195 H3* C 195 19.495 44.236 2.386 381 H2* C 195 H2* C 195 18.041 46.110 2.352 382 2HO* C 195 2HO* C 195 17.846 47.321 4.307 383 H1* C 195 H1* C 195 20.118 47.908 3.038 384 1H4 C 195 1H4 C 195 19.542 48.502 -3.291 385 2H4 C 195 2H4 C 195 20.440 47.017 -3.506 386 H5 C 195 H5 C 195 21.138 45.631 -1.726 387 H6 C 195 H6 C 195 21.146 45.325 0.725 388 1H5* G 196 1H5* G 196 15.317 44.201 4.940 389 2H5* G 196 2H5* G 196 14.962 42.590 4.317 390 H4* G 196 H4* G 196 13.121 44.129 3.907 391 H3* G 196 H3* G 196 14.569 43.006 1.526 392 H2* G 196 H2* G 196 12.994 44.056 0.079 393 2HO* G 196 2HO* G 196 11.103 44.925 1.047 394 H1* G 196 H1* G 196 13.248 46.540 1.327 395 H8 G 196 H8 G 196 16.478 44.598 1.113 396 H1 G 196 H1 G 196 15.226 48.267 -4.070 397 1H2 G 196 1H2 G 196 13.317 49.033 -3.927 398 2H2 G 196 2H2 G 196 12.218 48.726 -2.600 399 1H5* A 197 1H5* A 197 12.544 37.984 1.490 400 2H5* A 197 2H5* A 197 12.712 39.260 0.284 401 H4* A 197 H4* A 197 10.302 37.820 1.220 402 H3* A 197 H3* A 197 11.320 38.922 -1.388 403 H2* A 197 H2* A 197 9.167 39.207 -2.167 404 2HO* A 197 2HO* A 197 8.531 37.090 -1.900 405 H1* A 197 H1* A 197 8.185 39.364 0.651 406 H8 A 197 H8 A 197 9.423 41.333 -2.376 407 1H6 A 197 1H6 A 197 5.103 45.555 -0.807 408 2H6 A 197 2H6 A 197 6.305 45.135 -2.007 409 H2 A 197 H2 A 197 5.156 42.394 2.315 410 1H5* U 198 1H5* U 198 11.258 34.175 0.467 411 2H5* U 198 2H5* U 198 12.563 35.317 0.787 412 H4* U 198 H4* U 198 13.836 33.287 -0.597 413 H3* U 198 H3* U 198 11.472 32.101 0.639 414 H2* U 198 H2* U 198 12.608 31.485 2.542 415 2HO* U 198 2HO* U 198 14.030 30.040 0.494 416 H1* U 198 H1* U 198 15.195 31.913 0.950 417 H3 U 198 H3 U 198 18.181 31.913 4.278 418 H5 U 198 H5 U 198 14.546 32.231 6.335 419 H6 U 198 H6 U 198 13.432 32.323 4.152 420 1H5* G 199 1H5* G 199 10.473 32.131 -2.963 421 2H5* G 199 2H5* G 199 10.758 33.173 -1.569 422 H4* G 199 H4* G 199 8.682 33.852 -2.366 423 H3* G 199 H3* G 199 8.353 31.988 -0.031 424 H2* G 199 H2* G 199 5.994 32.310 -0.110 425 2HO* G 199 2HO* G 199 5.217 34.025 -1.407 426 H1* G 199 H1* G 199 5.843 31.805 -2.852 427 H8 G 199 H8 G 199 8.349 29.752 -0.869 428 H1 G 199 H1 G 199 2.481 27.079 -1.413 429 1H2 G 199 1H2 G 199 1.193 28.420 -2.307 430 2H2 G 199 2H2 G 199 1.638 30.029 -2.831 431 1H5* A 200 1H5* A 200 7.867 36.165 3.329 432 2H5* A 200 2H5* A 200 9.593 36.518 3.242 433 H4* A 200 H4* A 200 8.712 35.732 5.475 434 H3* A 200 H3* A 200 11.061 34.437 4.110 435 H2* A 200 H2* A 200 11.402 33.069 6.020 436 2HO* A 200 2HO* A 200 9.390 33.798 7.625 437 H1* A 200 H1* A 200 8.700 32.348 6.209 438 H8 A 200 H8 A 200 9.623 32.467 2.619 439 1H6 A 200 1H6 A 200 11.807 26.656 3.259 440 2H6 A 200 2H6 A 200 11.411 27.901 2.096 441 H2 A 200 H2 A 200 10.912 28.258 7.305 442 1H5* C 201 1H5* C 201 14.153 36.361 8.747 443 2H5* C 201 2H5* C 201 14.323 35.029 7.602 444 H4* C 201 H4* C 201 11.619 35.679 8.726 445 H3* C 201 H3* C 201 13.838 34.270 10.216 446 H2* C 201 H2* C 201 12.207 32.905 11.243 447 2HO* C 201 2HO* C 201 10.169 33.757 11.431 448 H1* C 201 H1* C 201 10.749 32.644 8.778 449 1H4 C 201 1H4 C 201 13.579 26.985 9.668 450 2H4 C 201 2H4 C 201 15.066 27.650 9.033 451 H5 C 201 H5 C 201 15.357 29.927 8.474 452 H6 C 201 H6 C 201 14.279 32.147 8.386 453 1H5* C 202 1H5* C 202 11.052 35.793 13.347 454 2H5* C 202 2H5* C 202 12.035 36.246 14.740 455 H4* C 202 H4* C 202 10.342 34.656 15.397 456 H3* C 202 H3* C 202 13.187 33.677 15.492 457 H2* C 202 H2* C 202 12.442 31.661 16.498 458 2HO* C 202 2HO* C 202 10.095 31.637 17.065 459 H1* C 202 H1* C 202 10.310 31.385 14.642 460 1H4 C 202 1H4 C 202 14.899 27.417 12.613 461 2H4 C 202 2H4 C 202 15.628 28.751 11.747 462 H5 C 202 H5 C 202 14.880 30.985 11.901 463 H6 C 202 H6 C 202 13.231 32.506 12.933 464 1H5* C 203 1H5* C 203 11.962 33.613 19.924 465 2H5* C 203 2H5* C 203 13.495 33.822 20.770 466 H4* C 203 H4* C 203 12.316 31.710 21.315 467 H3* C 203 H3* C 203 15.092 31.630 20.152 468 H2* C 203 H2* C 203 15.144 29.276 20.498 469 2HO* C 203 2HO* C 203 13.671 28.425 21.949 470 H1* C 203 H1* C 203 12.613 28.899 19.334 471 1H4 C 203 1H4 C 203 16.811 27.736 14.652 472 2H4 C 203 2H4 C 203 16.840 29.447 14.288 473 H5 C 203 H5 C 203 15.735 31.087 15.580 474 H6 C 203 H6 C 203 14.318 31.492 17.561 475 1H5* U 204 1H5* U 204 14.640 29.715 23.665 476 2H5* U 204 2H5* U 204 15.882 29.651 24.915 477 H4* U 204 H4* U 204 15.213 27.418 24.284 478 H3* U 204 H3* U 204 18.014 28.236 23.570 479 H2* U 204 H2* U 204 18.458 26.028 22.797 480 2HO* U 204 2HO* U 204 17.315 24.589 23.948 481 H1* U 204 H1* U 204 16.153 25.923 21.228 482 H3 U 204 H3 U 204 19.914 26.302 18.565 483 H5 U 204 H5 U 204 18.630 30.213 19.336 484 H6 U 204 H6 U 204 17.083 29.273 20.990 485 1H5* A 205 1H5* A 205 19.021 26.217 27.805 486 2H5* A 205 2H5* A 205 20.687 26.769 27.983 487 H4* A 205 H4* A 205 20.233 24.325 27.284 488 H3* A 205 H3* A 205 22.277 26.146 26.034 489 H2* A 205 H2* A 205 23.035 24.348 24.682 490 2HO* A 205 2HO* A 205 21.381 22.362 25.390 491 H1* A 205 H1* A 205 20.459 23.596 23.895 492 H8 A 205 H8 A 205 20.410 27.271 23.993 493 1H6 A 205 1H6 A 205 23.133 27.257 18.377 494 2H6 A 205 2H6 A 205 22.331 28.265 19.561 495 H2 A 205 H2 A 205 23.283 23.125 20.005 496 1H5* G 206 1H5* G 206 26.116 26.594 26.760 497 2H5* G 206 2H5* G 206 25.474 27.079 25.191 498 H4* G 206 H4* G 206 27.754 26.012 25.174 499 H3* G 206 H3* G 206 25.492 25.024 23.461 500 H2* G 206 H2* G 206 26.960 23.456 22.430 501 2HO* G 206 2HO* G 206 28.901 24.451 22.327 502 H1* G 206 H1* G 206 27.917 22.482 24.859 503 H8 G 206 H8 G 206 24.680 23.246 23.045 504 H1 G 206 H1 G 206 24.696 17.640 26.280 505 1H2 G 206 1H2 G 206 26.418 17.500 27.406 506 2H2 G 206 2H2 G 206 27.670 18.721 27.466 507 1H5* U 207 1H5* U 207 26.097 25.871 18.963 508 2H5* U 207 2H5* U 207 27.800 25.998 18.520 509 H4* U 207 H4* U 207 26.054 27.647 17.515 510 H3* U 207 H3* U 207 28.817 28.333 18.487 511 H2* U 207 H2* U 207 28.504 30.577 17.783 512 2HO* U 207 2HO* U 207 26.552 30.991 16.505 513 H1* U 207 H1* U 207 25.997 30.826 18.976 514 H3 U 207 H3 U 207 28.349 33.276 21.915 515 H5 U 207 H5 U 207 29.877 29.417 22.481 516 H6 U 207 H6 U 207 28.477 28.694 20.603 517 1H5* A 208 1H5* A 208 30.964 29.252 13.676 518 2H5* A 208 2H5* A 208 29.708 28.952 12.475 519 H4* A 208 H4* A 208 31.623 27.702 11.839 520 H3* A 208 H3* A 208 29.327 26.094 12.865 521 H2* A 208 H2* A 208 30.531 24.057 12.595 522 2HO* A 208 2HO* A 208 32.888 24.630 11.760 523 H1* A 208 H1* A 208 32.783 25.017 13.955 524 H8 A 208 H8 A 208 29.202 25.836 15.041 525 1H6 A 208 1H6 A 208 30.019 21.400 19.354 526 2H6 A 208 2H6 A 208 28.908 22.615 18.763 527 H2 A 208 H2 A 208 33.647 21.534 16.794 528 1H5* G 209 1H5* G 209 29.133 24.500 9.521 529 2H5* G 209 2H5* G 209 27.521 24.050 8.964 530 H4* G 209 H4* G 209 28.617 22.416 10.510 531 H3* G 209 H3* G 209 25.906 23.574 11.092 532 H2* G 209 H2* G 209 25.710 22.154 12.995 533 2HO* G 209 2HO* G 209 28.026 20.894 13.110 534 H1* G 209 H1* G 209 28.213 22.867 14.000 535 H8 G 209 H8 G 209 26.801 25.935 12.513 536 H1 G 209 H1 G 209 24.240 24.562 18.296 537 1H2 G 209 1H2 G 209 24.780 22.652 18.853 538 2H2 G 209 2H2 G 209 25.779 21.581 17.895 539 1H5* A 210 1H5* A 210 25.604 19.530 12.328 540 2H5* A 210 2H5* A 210 24.233 18.906 11.410 541 H4* A 210 H4* A 210 23.896 18.451 13.740 542 H3* A 210 H3* A 210 22.071 20.556 12.587 543 H2* A 210 H2* A 210 20.861 20.576 14.628 544 2HO* A 210 2HO* A 210 21.036 18.777 15.926 545 H1* A 210 H1* A 210 23.208 20.670 16.194 546 H8 A 210 H8 A 210 23.463 22.899 13.208 547 1H6 A 210 1H6 A 210 20.712 27.312 16.660 548 2H6 A 210 2H6 A 210 21.535 27.003 15.148 549 H2 A 210 H2 A 210 20.509 23.474 18.890 550 1H5* G 211 1H5* G 211 20.101 17.377 14.434 551 2H5* G 211 2H5* G 211 18.590 16.831 13.706 552 H4* G 211 H4* G 211 18.260 17.291 16.050 553 H3* G 211 H3* G 211 16.879 19.139 14.121 554 H2* G 211 H2* G 211 15.786 20.211 15.947 555 2HO* G 211 2HO* G 211 16.829 18.996 18.072 556 H1* G 211 H1* G 211 18.160 20.544 17.385 557 H8 G 211 H8 G 211 19.086 21.114 13.877 558 H1 G 211 H1 G 211 15.922 26.149 16.429 559 1H2 G 211 1H2 G 211 15.081 25.594 18.228 560 2H2 G 211 2H2 G 211 15.213 24.002 18.940 561 1H5* G 212 1H5* G 212 13.179 17.277 16.420 562 2H5* G 212 2H5* G 212 12.150 17.063 15.005 563 H4* G 212 H4* G 212 11.049 18.336 16.790 564 H3* G 212 H3* G 212 11.512 19.654 14.130 565 H2* G 212 H2* G 212 10.297 21.566 14.867 566 2HO* G 212 2HO* G 212 9.539 21.215 17.259 567 H1* G 212 H1* G 212 11.740 21.777 17.247 568 H8 G 212 H8 G 212 14.122 20.691 14.630 569 H1 G 212 H1 G 212 12.834 27.029 14.382 570 1H2 G 212 1H2 G 212 11.228 27.453 15.604 571 2H2 G 212 2H2 G 212 10.359 26.269 16.554 572 1H5* G 213 1H5* G 213 7.193 19.927 14.956 573 2H5* G 213 2H5* G 213 6.336 19.625 13.444 574 H4* G 213 H4* G 213 5.643 21.728 14.454 575 H3* G 213 H3* G 213 7.034 21.826 11.797 576 H2* G 213 H2* G 213 6.691 24.181 11.693 577 2HO* G 213 2HO* G 213 4.619 24.061 12.683 578 H1* G 213 H1* G 213 7.704 24.611 14.260 579 H8 G 213 H8 G 213 9.803 21.948 12.844 580 H1 G 213 H1 G 213 11.281 27.776 10.450 581 1H2 G 213 1H2 G 213 9.808 29.125 10.963 582 2H2 G 213 2H2 G 213 8.385 28.736 11.902 583 1H5* G 214 1H5* G 214 5.251 24.813 10.143 584 2H5* G 214 2H5* G 214 4.734 24.059 8.635 585 H4* G 214 H4* G 214 6.608 25.726 8.450 586 H3* G 214 H3* G 214 6.815 22.936 7.355 587 H2* G 214 H2* G 214 8.941 23.463 6.418 588 2HO* G 214 2HO* G 214 8.686 25.560 5.793 589 H1* G 214 H1* G 214 9.924 24.535 8.796 590 H8 G 214 H8 G 214 7.839 21.702 9.850 591 H1 G 214 H1 G 214 13.523 19.795 7.415 592 1H2 G 214 1H2 G 214 14.438 21.384 6.473 593 2H2 G 214 2H2 G 214 13.764 22.995 6.360 594 1H5* G 215 1H5* G 215 7.596 25.478 2.872 595 2H5* G 215 2H5* G 215 6.254 24.438 2.400 596 H4* G 215 H4* G 215 8.308 24.301 0.960 597 H3* G 215 H3* G 215 7.058 21.869 2.211 598 H2* G 215 H2* G 215 8.606 20.482 1.046 599 2HO* G 215 2HO* G 215 9.841 21.462 -0.618 600 H1* G 215 H1* G 215 10.820 21.979 1.854 601 H8 G 215 H8 G 215 8.284 21.819 4.599 602 H1 G 215 H1 G 215 12.150 16.636 4.333 603 1H2 G 215 1H2 G 215 13.258 16.691 2.595 604 2H2 G 215 2H2 G 215 13.153 17.953 1.388 605 1H5* C 216 1H5* C 216 5.362 21.420 -1.981 606 2H5* C 216 2H5* C 216 3.909 20.437 -1.802 607 H4* C 216 H4* C 216 5.929 19.261 -2.730 608 H3* C 216 H3* C 216 4.494 18.210 -0.292 609 H2* C 216 H2* C 216 5.829 16.255 -0.413 610 2HO* C 216 2HO* C 216 5.797 16.002 -2.641 611 H1* C 216 H1* C 216 8.194 17.765 -0.902 612 1H4 C 216 1H4 C 216 8.359 16.014 5.262 613 2H4 C 216 2H4 C 216 7.547 17.512 5.657 614 H5 C 216 H5 C 216 6.705 19.017 4.044 615 H6 C 216 H6 C 216 6.431 19.461 1.630 616 1H5* U 217 1H5* U 217 3.693 15.132 -3.453 617 2H5* U 217 2H5* U 217 2.300 14.180 -2.939 618 H4* U 217 H4* U 217 4.469 12.931 -3.093 619 H3* U 217 H3* U 217 2.840 12.961 -0.562 620 H2* U 217 H2* U 217 4.331 11.366 0.388 621 2HO* U 217 2HO* U 217 5.847 10.370 -1.043 622 H1* U 217 H1* U 217 6.608 12.827 -0.355 623 H3 U 217 H3 U 217 6.198 13.059 4.212 624 H5 U 217 H5 U 217 3.768 16.128 2.722 625 H6 U 217 H6 U 217 4.127 15.191 0.485 626 1H5* G 218 1H5* G 218 -0.135 8.788 -1.050 627 2H5* G 218 2H5* G 218 1.090 9.830 -0.327 628 H4* G 218 H4* G 218 1.524 7.289 -1.146 629 H3* G 218 H3* G 218 3.474 9.593 -0.942 630 H2* G 218 H2* G 218 5.193 8.100 -1.531 631 2HO* G 218 2HO* G 218 4.926 6.090 -0.734 632 H1* G 218 H1* G 218 3.472 6.725 -3.406 633 H8 G 218 H8 G 218 3.689 10.434 -3.842 634 H1 G 218 H1 G 218 8.388 7.184 -6.881 635 1H2 G 218 1H2 G 218 8.353 5.208 -6.290 636 2H2 G 218 2H2 G 218 7.220 4.533 -5.142 637 1H5* C 219 1H5* C 219 4.484 7.227 2.111 638 2H5* C 219 2H5* C 219 4.123 5.791 3.069 639 H4* C 219 H4* C 219 4.818 7.024 4.798 640 H3* C 219 H3* C 219 2.009 7.949 4.400 641 H2* C 219 H2* C 219 2.260 9.715 5.945 642 2HO* C 219 2HO* C 219 4.931 8.970 6.508 643 H1* C 219 H1* C 219 4.734 10.564 4.948 644 1H4 C 219 1H4 C 219 0.054 14.034 2.179 645 2H4 C 219 2H4 C 219 0.442 13.170 0.708 646 H5 C 219 H5 C 219 1.930 11.338 0.612 647 H6 C 219 H6 C 219 3.426 9.869 1.916 648 1H5* G 220 1H5* G 220 4.551 4.000 6.721 649 2H5* G 220 2H5* G 220 4.960 5.670 6.327 650 H4* G 220 H4* G 220 6.272 3.250 5.545 651 H3* G 220 H3* G 220 6.852 6.194 5.154 652 H2* G 220 H2* G 220 8.697 5.581 3.835 653 2HO* G 220 2HO* G 220 8.496 2.842 4.249 654 H1* G 220 H1* G 220 7.232 3.336 2.717 655 H8 G 220 H8 G 220 7.118 3.871 0.265 656 H1 G 220 H1 G 220 7.112 10.257 1.317 657 1H2 G 220 1H2 G 220 7.068 10.621 3.346 658 2H2 G 220 2H2 G 220 7.038 9.379 4.579 659 1H5* G 221 1H5* G 221 10.075 5.120 6.586 660 2H5* G 221 2H5* G 221 11.179 6.258 7.358 661 H4* G 221 H4* G 221 11.130 5.782 4.717 662 H3* G 221 H3* G 221 11.944 8.237 6.243 663 H2* G 221 H2* G 221 12.408 9.369 4.210 664 2HO* G 221 2HO* G 221 12.253 8.002 2.240 665 H1* G 221 H1* G 221 10.003 8.700 3.010 666 H8 G 221 H8 G 221 9.792 9.241 6.753 667 H1 G 221 H1 G 221 8.878 14.577 3.207 668 1H2 G 221 1H2 G 221 9.275 14.164 1.226 669 2H2 G 221 2H2 G 221 9.781 12.604 0.617 670 1H5* C 222 1H5* C 222 15.136 8.080 3.105 671 2H5* C 222 2H5* C 222 16.464 8.836 3.985 672 H4* C 222 H4* C 222 15.459 10.036 1.930 673 H3* C 222 H3* C 222 16.068 11.389 4.562 674 H2* C 222 H2* C 222 15.590 13.464 3.539 675 2HO* C 222 2HO* C 222 15.020 12.562 1.013 676 H1* C 222 H1* C 222 13.308 12.409 2.184 677 1H4 C 222 1H4 C 222 11.099 15.872 7.104 678 2H4 C 222 2H4 C 222 11.149 14.423 8.083 679 H5 C 222 H5 C 222 12.075 12.375 7.356 680 H6 C 222 H6 C 222 13.193 11.203 5.492 681 1H5* U 223 1H5* U 223 17.381 14.231 1.991 682 2H5* U 223 2H5* U 223 18.966 14.722 2.586 683 H4* U 223 H4* U 223 17.319 16.560 2.550 684 H3* U 223 H3* U 223 18.520 15.743 5.195 685 H2* U 223 H2* U 223 17.416 17.519 6.234 686 2HO* U 223 2HO* U 223 16.951 19.338 4.964 687 H1* U 223 H1* U 223 15.133 17.264 4.431 688 H3 U 223 H3 U 223 13.309 17.356 8.619 689 H5 U 223 H5 U 223 14.974 13.530 8.261 690 H6 U 223 H6 U 223 15.998 14.279 6.163 691 1H5* U 224 1H5* U 224 20.329 21.010 3.407 692 2H5* U 224 2H5* U 224 18.987 20.077 4.071 693 H4* U 224 H4* U 224 20.443 18.964 1.713 694 H3* U 224 H3* U 224 18.836 21.477 1.619 695 H2* U 224 H2* U 224 17.633 20.762 -0.282 696 2HO* U 224 2HO* U 224 18.462 18.600 -1.165 697 H1* U 224 H1* U 224 16.984 18.273 0.667 698 H3 U 224 H3 U 224 13.061 20.157 1.712 699 H5 U 224 H5 U 224 15.753 22.272 4.126 700 H6 U 224 H6 U 224 17.557 21.003 3.056 701 1H5* A 225 1H5* A 225 20.761 21.220 -2.505 702 2H5* A 225 2H5* A 225 20.497 22.802 -3.240 703 H4* A 225 H4* A 225 19.250 20.784 -4.209 704 H3* A 225 H3* A 225 17.954 23.420 -3.545 705 H2* A 225 H2* A 225 15.927 22.640 -4.503 706 2HO* A 225 2HO* A 225 16.220 20.332 -5.447 707 H1* A 225 H1* A 225 16.035 20.176 -3.163 708 H8 A 225 H8 A 225 17.198 22.895 -0.898 709 1H6 A 225 1H6 A 225 11.201 23.854 0.544 710 2H6 A 225 2H6 A 225 12.846 24.267 0.975 711 H2 A 225 H2 A 225 11.372 21.046 -2.895 712 1H5* G 226 1H5* G 226 17.679 22.052 -7.347 713 2H5* G 226 2H5* G 226 17.644 23.044 -8.804 714 H4* G 226 H4* G 226 15.737 21.615 -8.830 715 H3* G 226 H3* G 226 15.114 24.507 -8.283 716 H2* G 226 H2* G 226 12.787 24.003 -8.373 717 2HO* G 226 2HO* G 226 12.969 21.293 -8.695 718 H1* G 226 H1* G 226 13.035 21.824 -6.629 719 H8 G 226 H8 G 226 15.311 24.370 -5.292 720 H1 G 226 H1 G 226 9.110 25.722 -4.022 721 1H2 G 226 1H2 G 226 7.893 24.501 -5.154 722 2H2 G 226 2H2 G 226 8.468 23.291 -6.279 723 1H5* G 227 1H5* G 227 13.589 24.522 -12.478 724 2H5* G 227 2H5* G 227 15.016 23.676 -13.076 725 H4* G 227 H4* G 227 14.245 24.848 -14.928 726 H3* G 227 H3* G 227 16.531 26.277 -13.623 727 H2* G 227 H2* G 227 16.442 28.001 -15.265 728 2HO* G 227 2HO* G 227 15.159 27.616 -17.114 729 H1* G 227 H1* G 227 13.698 28.400 -14.947 730 H8 G 227 H8 G 227 15.263 27.610 -11.648 731 H1 G 227 H1 G 227 15.823 33.828 -13.353 732 1H2 G 227 1H2 G 227 15.237 34.059 -15.317 733 2H2 G 227 2H2 G 227 14.676 32.762 -16.348 734 1H5* A 228 1H5* A 228 17.256 26.037 -17.794 735 2H5* A 228 2H5* A 228 18.922 25.607 -18.174 736 H4* A 228 H4* A 228 18.317 27.622 -19.341 737 H3* A 228 H3* A 228 20.351 27.924 -17.148 738 H2* A 228 H2* A 228 20.634 30.213 -17.724 739 2HO* A 228 2HO* A 228 20.295 30.584 -19.836 740 H1* A 228 H1* A 228 17.891 30.737 -17.776 741 H8 A 228 H8 A 228 18.614 28.334 -15.024 742 1H6 A 228 1H6 A 228 19.929 33.276 -11.448 743 2H6 A 228 2H6 A 228 19.669 31.547 -11.435 744 H2 A 228 H2 A 228 19.481 34.675 -15.642 745 1H5* G 229 1H5* G 229 22.332 29.558 -20.846 746 2H5* G 229 2H5* G 229 23.976 28.924 -20.766 747 H4* G 229 H4* G 229 23.988 31.332 -21.055 748 H3* G 229 H3* G 229 25.073 30.242 -18.475 749 H2* G 229 H2* G 229 25.730 32.438 -17.822 750 2HO* G 229 2HO* G 229 26.114 33.790 -19.486 751 H1* G 229 H1* G 229 23.229 33.539 -18.388 752 H8 G 229 H8 G 229 22.513 30.207 -17.011 753 H1 G 229 H1 G 229 24.182 34.460 -12.426 754 1H2 G 229 1H2 G 229 24.961 36.153 -13.308 755 2H2 G 229 2H2 G 229 25.135 36.386 -15.033 756 1H5* G 230 1H5* G 230 28.165 32.901 -20.266 757 2H5* G 230 2H5* G 230 29.708 32.079 -20.035 758 H4* G 230 H4* G 230 29.790 34.369 -19.216 759 H3* G 230 H3* G 230 30.117 32.144 -17.230 760 H2* G 230 H2* G 230 30.531 33.732 -15.502 761 2HO* G 230 2HO* G 230 30.708 35.985 -16.204 762 H1* G 230 H1* G 230 28.273 35.251 -16.122 763 H8 G 230 H8 G 230 27.273 31.748 -16.653 764 H1 G 230 H1 G 230 27.456 33.345 -10.384 765 1H2 G 230 1H2 G 230 28.409 35.160 -10.163 766 2H2 G 230 2H2 G 230 29.061 36.109 -11.481 767 1H5* G 231 1H5* G 231 33.659 34.791 -16.718 768 2H5* G 231 2H5* G 231 35.043 33.706 -16.591 769 H4* G 231 H4* G 231 35.003 35.269 -14.739 770 H3* G 231 H3* G 231 34.579 32.364 -14.098 771 H2* G 231 H2* G 231 34.578 32.878 -11.771 772 2HO* G 231 2HO* G 231 34.760 35.603 -11.962 773 H1* G 231 H1* G 231 32.717 34.939 -12.052 774 H8 G 231 H8 G 231 31.752 32.276 -14.434 775 H1 G 231 H1 G 231 29.972 30.973 -8.350 776 1H2 G 231 1H2 G 231 30.885 32.303 -7.066 777 2H2 G 231 2H2 G 231 31.971 33.582 -7.564 778 1H5* C 232 1H5* C 232 37.776 33.644 -11.540 779 2H5* C 232 2H5* C 232 39.028 32.401 -11.513 780 H4* C 232 H4* C 232 38.302 32.886 -9.267 781 H3* C 232 H3* C 232 37.607 30.168 -10.338 782 H2* C 232 H2* C 232 36.701 29.557 -8.229 783 2HO* C 232 2HO* C 232 37.103 32.012 -7.005 784 H1* C 232 H1* C 232 35.228 31.954 -8.008 785 1H4 C 232 1H4 C 232 31.031 27.668 -10.201 786 2H4 C 232 2H4 C 232 31.646 27.914 -11.820 787 H5 C 232 H5 C 232 33.512 29.271 -12.327 788 H6 C 232 H6 C 232 35.267 30.737 -11.395 789 1H5* A 233 1H5* A 233 39.984 29.498 -6.616 790 2H5* A 233 2H5* A 233 40.938 28.037 -6.868 791 H4* A 233 H4* A 233 39.529 27.887 -4.875 792 H3* A 233 H3* A 233 39.032 25.961 -7.130 793 H2* A 233 H2* A 233 37.415 24.830 -5.806 794 2HO* A 233 2HO* A 233 37.878 24.927 -3.689 795 H1* A 233 H1* A 233 36.106 27.186 -5.058 796 H8 A 233 H8 A 233 37.226 27.451 -8.604 797 1H6 A 233 1H6 A 233 31.923 24.561 -10.179 798 2H6 A 233 2H6 A 233 33.310 25.420 -10.810 799 H2 A 233 H2 A 233 32.352 24.369 -5.760 800 1H5* G 234 1H5* G 234 39.786 23.129 -3.566 801 2H5* G 234 2H5* G 234 41.083 22.175 -4.285 802 H4* G 234 H4* G 234 39.510 20.641 -3.420 803 H3* G 234 H3* G 234 39.421 20.872 -6.413 804 H2* G 234 H2* G 234 37.785 19.141 -6.504 805 2HO* G 234 2HO* G 234 37.299 18.094 -4.423 806 H1* G 234 H1* G 234 36.165 20.336 -4.572 807 H8 G 234 H8 G 234 37.706 22.987 -6.692 808 H1 G 234 H1 G 234 32.484 20.266 -9.375 809 1H2 G 234 1H2 G 234 31.942 18.597 -8.291 810 2H2 G 234 2H2 G 234 32.779 18.022 -6.866 811 1H GLY 15 1H GLY 15 6.899 -4.049 1.078 812 1HA GLY 15 1HA GLY 15 5.911 -2.290 -0.782 813 2HA GLY 15 2HA GLY 15 5.686 -2.098 0.950 814 H ARG 16 H ARG 16 8.409 -1.718 -1.326 815 HA ARG 16 HA ARG 16 8.696 1.053 -0.415 816 1HB ARG 16 2HB ARG 16 10.649 -1.146 -0.076 817 2HB ARG 16 3HB ARG 16 11.300 0.383 -0.651 818 1HG ARG 16 2HG ARG 16 10.281 1.509 1.295 819 2HG ARG 16 3HG ARG 16 9.738 -0.064 1.883 820 1HD ARG 16 2HD ARG 16 12.599 0.132 1.210 821 2HD ARG 16 3HD ARG 16 12.072 1.096 2.589 822 HE ARG 16 HE ARG 16 10.998 -1.378 3.024 823 1HH1 ARG 16 2HH1 ARG 16 14.204 -0.137 2.477 824 2HH1 ARG 16 1HH1 ARG 16 14.981 -1.368 3.417 825 1HH2 ARG 16 2HH2 ARG 16 12.010 -3.003 4.264 826 2HH2 ARG 16 1HH2 ARG 16 13.732 -2.997 4.433 827 H ALA 17 H ALA 17 9.579 2.461 -1.924 828 HA ALA 17 HA ALA 17 10.468 1.415 -4.490 829 1HB ALA 17 1HB ALA 17 8.248 1.523 -5.109 830 2HB ALA 17 2HB ALA 17 7.926 2.934 -4.099 831 3HB ALA 17 3HB ALA 17 8.841 3.112 -5.598 832 H ARG 18 H ARG 18 11.336 3.152 -2.101 833 HA ARG 18 HA ARG 18 11.687 5.794 -2.806 834 1HB ARG 18 2HB ARG 18 12.698 4.047 -0.835 835 2HB ARG 18 3HB ARG 18 14.097 4.810 -1.581 836 1HG ARG 18 2HG ARG 18 11.853 6.589 -0.859 837 2HG ARG 18 3HG ARG 18 12.766 5.877 0.472 838 1HD ARG 18 2HD ARG 18 14.087 7.273 -1.840 839 2HD ARG 18 3HD ARG 18 13.567 8.127 -0.388 840 HE ARG 18 HE ARG 18 15.146 5.947 0.379 841 1HH1 ARG 18 2HH1 ARG 18 15.446 8.998 -1.272 842 2HH1 ARG 18 1HH1 ARG 18 17.099 9.233 -0.810 843 1HH2 ARG 18 2HH2 ARG 18 17.323 6.245 0.993 844 2HH2 ARG 18 1HH2 ARG 18 18.166 7.666 0.477 845 H GLY 19 H GLY 19 12.988 6.914 -4.157 846 1HA GLY 19 1HA GLY 19 14.932 7.256 -5.471 847 2HA GLY 19 2HA GLY 19 15.193 5.519 -5.493 848 H LEU 20 H LEU 20 12.239 5.205 -6.143 849 HA LEU 20 HA LEU 20 12.520 5.733 -9.024 850 1HB LEU 20 2HB LEU 20 11.465 3.489 -7.453 851 2HB LEU 20 3HB LEU 20 10.466 3.958 -8.828 852 HG LEU 20 HG LEU 20 13.276 3.698 -9.535 853 1HD1 LEU 20 1HD1 LEU 20 12.796 1.955 -7.628 854 2HD1 LEU 20 2HD1 LEU 20 13.694 1.498 -9.075 855 3HD1 LEU 20 3HD1 LEU 20 11.986 1.086 -8.932 856 1HD2 LEU 20 1HD2 LEU 20 12.287 2.270 -11.297 857 2HD2 LEU 20 2HD2 LEU 20 11.528 3.858 -11.186 858 3HD2 LEU 20 3HD2 LEU 20 10.716 2.443 -10.517 859 H CYS 21 H CYS 21 11.238 7.303 -9.925 860 HA CYS 21 HA CYS 21 9.285 8.563 -8.342 861 1HB CYS 21 2HB CYS 21 10.627 9.681 -10.133 862 2HB CYS 21 3HB CYS 21 9.712 8.797 -11.339 863 H TYR 22 H TYR 22 7.018 8.585 -8.727 864 HA TYR 22 HA TYR 22 5.975 6.156 -10.030 865 1HB TYR 22 2HB TYR 22 5.411 5.785 -7.831 866 2HB TYR 22 3HB TYR 22 5.282 7.500 -7.461 867 HD1 TYR 22 HD1 TYR 22 3.576 4.920 -9.566 868 HD2 TYR 22 HD2 TYR 22 3.173 8.360 -7.093 869 HE1 TYR 22 HE1 TYR 22 1.130 4.774 -9.770 870 HE2 TYR 22 HE2 TYR 22 0.725 8.223 -7.291 871 HH TYR 22 HH TYR 22 -0.991 7.168 -8.222 872 H THR 23 H THR 23 5.793 9.591 -9.771 873 HA THR 23 HA THR 23 3.234 10.003 -10.897 874 HB THR 23 HB THR 23 5.595 11.873 -11.136 875 HG1 THR 23 HG1 THR 23 3.854 11.323 -8.968 876 1HG2 THR 23 1HG2 THR 23 3.264 13.304 -10.665 877 2HG2 THR 23 2HG2 THR 23 2.770 12.035 -11.785 878 3HG2 THR 23 3HG2 THR 23 4.088 13.125 -12.213 879 H CYS 24 H CYS 24 6.536 9.798 -12.380 880 HA CYS 24 HA CYS 24 5.168 9.760 -14.970 881 1HB CYS 24 2HB CYS 24 7.250 10.511 -15.973 882 2HB CYS 24 3HB CYS 24 6.757 11.623 -14.711 883 H GLY 25 H GLY 25 7.518 8.277 -12.813 884 1HA GLY 25 1HA GLY 25 7.741 5.900 -12.634 885 2HA GLY 25 2HA GLY 25 7.292 5.766 -14.328 886 H SER 26 H SER 26 9.658 8.021 -13.025 887 HA SER 26 HA SER 26 11.688 6.748 -14.716 888 1HB SER 26 2HB SER 26 11.086 9.262 -14.852 889 2HB SER 26 3HB SER 26 12.005 9.415 -13.354 890 HG SER 26 HG SER 26 13.011 9.517 -15.693 891 HA PRO 27 HA PRO 27 13.439 5.075 -10.970 892 1HB PRO 27 2HB PRO 27 15.517 3.821 -12.187 893 2HB PRO 27 3HB PRO 27 13.870 3.181 -12.199 894 1HG PRO 27 2HG PRO 27 15.317 4.726 -14.316 895 2HG PRO 27 3HG PRO 27 14.274 3.302 -14.486 896 1HD PRO 27 2HD PRO 27 13.405 5.814 -15.001 897 2HD PRO 27 3HD PRO 27 12.339 4.548 -14.359 898 H GLY 28 H GLY 28 14.125 7.032 -10.018 899 1HA GLY 28 1HA GLY 28 16.801 7.402 -9.587 900 2HA GLY 28 2HA GLY 28 16.446 8.428 -10.969 901 H HIS 29 H HIS 29 14.349 9.785 -10.601 902 HA HIS 29 HA HIS 29 14.754 11.191 -8.069 903 1HB HIS 29 2HB HIS 29 13.640 13.064 -9.094 904 2HB HIS 29 3HB HIS 29 14.837 12.447 -10.229 905 HD1 HIS 29 HD1 HIS 29 14.015 12.013 -12.527 906 HD2 HIS 29 HD2 HIS 29 10.918 12.111 -9.759 907 HE1 HIS 29 HE1 HIS 29 11.902 11.819 -13.876 908 H TYR 30 H TYR 30 12.441 12.425 -7.579 909 HA TYR 30 HA TYR 30 10.405 10.313 -7.378 910 1HB TYR 30 2HB TYR 30 11.938 11.312 -5.236 911 2HB TYR 30 3HB TYR 30 10.339 12.026 -5.063 912 HD1 TYR 30 HD1 TYR 30 11.916 8.709 -5.760 913 HD2 TYR 30 HD2 TYR 30 8.743 10.839 -3.890 914 HE1 TYR 30 HE1 TYR 30 11.093 6.609 -4.778 915 HE2 TYR 30 HE2 TYR 30 7.912 8.746 -2.901 916 HH TYR 30 HH TYR 30 9.433 6.222 -2.393 917 H GLN 31 H GLN 31 8.301 11.379 -6.422 918 HA GLN 31 HA GLN 31 7.244 13.069 -8.325 919 1HB GLN 31 2HB GLN 31 5.777 11.836 -6.897 920 2HB GLN 31 3HB GLN 31 6.422 12.615 -5.459 921 1HG GLN 31 2HG GLN 31 5.247 14.546 -5.804 922 2HG GLN 31 3HG GLN 31 5.155 14.307 -7.547 923 1HE2 GLN 31 1HE2 GLN 31 3.297 13.625 -8.343 924 2HE2 GLN 31 2HE2 GLN 31 2.020 12.885 -7.445 925 H ALA 32 H ALA 32 8.682 13.910 -5.202 926 HA ALA 32 HA ALA 32 8.120 16.647 -5.216 927 1HB ALA 32 1HB ALA 32 9.363 14.951 -3.492 928 2HB ALA 32 2HB ALA 32 10.719 15.918 -4.072 929 3HB ALA 32 3HB ALA 32 9.329 16.707 -3.327 930 H GLN 33 H GLN 33 10.420 14.806 -7.024 931 HA GLN 33 HA GLN 33 11.531 17.308 -8.114 932 1HB GLN 33 2HB GLN 33 12.926 14.660 -7.698 933 2HB GLN 33 3HB GLN 33 13.609 16.007 -8.599 934 1HG GLN 33 2HG GLN 33 12.962 17.219 -6.265 935 2HG GLN 33 3HG GLN 33 13.366 15.596 -5.709 936 1HE2 GLN 33 1HE2 GLN 33 14.600 18.018 -7.994 937 2HE2 GLN 33 2HE2 GLN 33 16.262 17.830 -7.559 938 H CYS 34 H CYS 34 9.145 15.630 -8.993 939 HA CYS 34 HA CYS 34 10.083 14.351 -11.375 940 1HB CYS 34 2HB CYS 34 8.114 13.543 -10.041 941 2HB CYS 34 3HB CYS 34 7.229 14.968 -10.548 942 HA PRO 35 HA PRO 35 10.125 18.187 -13.655 943 1HB PRO 35 2HB PRO 35 10.592 17.069 -16.085 944 2HB PRO 35 3HB PRO 35 11.846 17.249 -14.852 945 1HG PRO 35 2HG PRO 35 10.216 14.840 -15.560 946 2HG PRO 35 3HG PRO 35 11.949 14.952 -15.206 947 1HD PRO 35 2HD PRO 35 10.141 14.098 -13.379 948 2HD PRO 35 3HD PRO 35 11.609 14.989 -12.926 949 H LYS 36 H LYS 36 7.887 15.627 -13.960 950 HA LYS 36 HA LYS 36 6.296 17.047 -15.968 951 1HB LYS 36 2HB LYS 36 6.813 14.395 -15.712 952 2HB LYS 36 3HB LYS 36 5.288 14.508 -14.844 953 1HG LYS 36 2HG LYS 36 4.178 14.532 -16.754 954 2HG LYS 36 3HG LYS 36 5.054 15.975 -17.270 955 1HD LYS 36 2HD LYS 36 6.914 14.469 -18.015 956 2HD LYS 36 3HD LYS 36 5.856 13.096 -17.678 957 1HE LYS 36 2HE LYS 36 4.191 14.461 -19.210 958 2HE LYS 36 3HE LYS 36 5.692 15.148 -19.827 959 1HZ LYS 36 1HZ LYS 36 6.327 12.595 -19.899 960 2HZ LYS 36 2HZ LYS 36 5.532 13.360 -21.182 961 3HZ LYS 36 3HZ LYS 36 4.651 12.433 -20.073 962 H LYS 37 H LYS 37 6.673 17.145 -12.736 963 HA LYS 37 HA LYS 37 3.863 17.265 -12.005 964 1HB LYS 37 2HB LYS 37 6.402 17.021 -10.600 965 2HB LYS 37 3HB LYS 37 5.341 18.208 -9.850 966 1HG LYS 37 2HG LYS 37 4.582 15.362 -10.475 967 2HG LYS 37 3HG LYS 37 5.087 15.960 -8.893 968 1HD LYS 37 2HD LYS 37 2.932 17.522 -10.095 969 2HD LYS 37 3HD LYS 37 2.500 15.835 -9.810 970 1HE LYS 37 2HE LYS 37 2.555 16.067 -7.565 971 2HE LYS 37 3HE LYS 37 3.929 17.170 -7.608 972 1HZ LYS 37 1HZ LYS 37 2.224 18.521 -6.902 973 2HZ LYS 37 2HZ LYS 37 1.061 17.772 -7.875 974 3HZ LYS 37 3HZ LYS 37 2.202 18.811 -8.569 975 H ARG 38 H ARG 38 6.645 19.456 -12.221 976 HA ARG 38 HA ARG 38 4.865 21.744 -11.804 977 1HB ARG 38 2HB ARG 38 7.036 21.530 -10.535 978 2HB ARG 38 3HB ARG 38 7.873 21.763 -12.064 979 1HG ARG 38 2HG ARG 38 7.789 23.842 -10.859 980 2HG ARG 38 3HG ARG 38 6.778 23.956 -12.300 981 1HD ARG 38 2HD ARG 38 4.933 24.314 -11.093 982 2HD ARG 38 3HD ARG 38 5.307 22.990 -9.991 983 HE ARG 38 HE ARG 38 7.017 24.964 -9.241 984 1HH1 ARG 38 2HH1 ARG 38 3.568 24.773 -9.676 985 2HH1 ARG 38 1HH1 ARG 38 3.218 25.958 -8.462 986 1HH2 ARG 38 2HH2 ARG 38 6.570 26.526 -7.640 987 2HH2 ARG 38 1HH2 ARG 38 4.926 26.955 -7.306 988 H LYS 39 H LYS 39 4.206 22.990 -13.430 989 HA LYS 39 HA LYS 39 5.749 23.557 -15.737 990 1HB LYS 39 2HB LYS 39 4.536 21.105 -15.912 991 2HB LYS 39 3HB LYS 39 3.342 22.152 -16.667 992 1HG LYS 39 2HG LYS 39 5.472 23.051 -17.951 993 2HG LYS 39 3HG LYS 39 6.080 21.441 -17.555 994 1HD LYS 39 2HD LYS 39 3.405 21.896 -18.857 995 2HD LYS 39 3HD LYS 39 4.893 21.682 -19.783 996 1HE LYS 39 2HE LYS 39 5.070 19.474 -19.247 997 2HE LYS 39 3HE LYS 39 4.290 19.680 -17.680 998 1HZ LYS 39 1HZ LYS 39 2.844 19.824 -20.266 999 2HZ LYS 39 2HZ LYS 39 2.167 19.777 -18.716 1000 3HZ LYS 39 3HZ LYS 39 2.962 18.417 -19.333 1001 H SER 40 H SER 40 5.237 25.668 -15.610 1002 HA SER 40 HA SER 40 2.460 26.403 -16.150 1003 1HB SER 40 2HB SER 40 2.899 28.358 -14.441 1004 2HB SER 40 3HB SER 40 2.339 26.788 -13.868 1005 HG SER 40 HG SER 40 4.117 26.625 -12.781 1006 H GLY 41 H GLY 41 2.260 28.068 -17.546 1007 1HA GLY 41 1HA GLY 41 4.747 29.222 -18.580 1008 2HA GLY 41 2HA GLY 41 3.188 29.229 -19.391 1009 H ASN 42 H ASN 42 1.458 30.536 -18.201 1010 HA ASN 42 HA ASN 42 2.645 32.930 -16.973 1011 1HB ASN 42 2HB ASN 42 1.162 34.361 -18.278 1012 2HB ASN 42 3HB ASN 42 2.162 33.387 -19.352 1013 1HD2 ASN 42 1HD2 ASN 42 -0.885 34.479 -18.805 1014 2HD2 ASN 42 2HD2 ASN 42 -1.778 33.307 -19.708 1015 H SER 43 H SER 43 1.587 33.715 -15.239 1016 HA SER 43 HA SER 43 -1.111 32.694 -14.674 1017 1HB SER 43 2HB SER 43 0.650 33.093 -12.331 1018 2HB SER 43 3HB SER 43 -0.553 31.840 -12.640 1019 HG SER 43 HG SER 43 1.063 30.609 -13.133 1020 H ARG 44 H ARG 44 -1.970 33.942 -12.620 1021 HA ARG 44 HA ARG 44 -1.452 36.800 -13.106 1022 1HB ARG 44 2HB ARG 44 -3.967 35.303 -12.430 1023 2HB ARG 44 3HB ARG 44 -3.823 37.020 -12.077 1024 1HG ARG 44 2HG ARG 44 -3.387 37.468 -14.442 1025 2HG ARG 44 3HG ARG 44 -3.547 35.745 -14.791 1026 1HD ARG 44 2HD ARG 44 -5.608 36.923 -15.316 1027 2HD ARG 44 3HD ARG 44 -5.856 35.800 -13.980 1028 HE ARG 44 HE ARG 44 -6.302 37.580 -12.605 1029 1HH1 ARG 44 2HH1 ARG 44 -4.865 38.732 -15.558 1030 2HH1 ARG 44 1HH1 ARG 44 -5.167 40.401 -15.207 1031 1HH2 ARG 44 2HH2 ARG 44 -6.705 39.774 -12.130 1032 2HH2 ARG 44 1HH2 ARG 44 -6.213 40.994 -13.257 1033 H GLU 45 H GLU 45 -1.817 38.235 -11.235 1034 HA GLU 45 HA GLU 45 -1.234 38.910 -9.140 1035 1HB GLU 45 2HB GLU 45 -2.693 36.342 -8.656 1036 2HB GLU 45 3HB GLU 45 -1.922 37.163 -7.305 1037 1HG GLU 45 2HG GLU 45 -3.474 38.768 -7.231 1038 2HG GLU 45 3HG GLU 45 -3.560 38.906 -8.986 1039 H ARG 46 H ARG 46 0.689 37.324 -10.746 1040 HA ARG 46 HA ARG 46 2.287 36.079 -8.623 1041 1HB ARG 46 2HB ARG 46 1.710 34.980 -10.943 1042 2HB ARG 46 3HB ARG 46 3.045 35.972 -11.514 1043 1HG ARG 46 2HG ARG 46 4.606 34.838 -10.223 1044 2HG ARG 46 3HG ARG 46 3.376 34.183 -9.140 1045 1HD ARG 46 2HD ARG 46 3.851 32.332 -10.407 1046 2HD ARG 46 3HD ARG 46 2.517 33.022 -11.330 1047 HE ARG 46 HE ARG 46 3.972 33.463 -13.047 1048 1HH1 ARG 46 2HH1 ARG 46 5.778 32.705 -10.168 1049 2HH1 ARG 46 1HH1 ARG 46 7.302 32.631 -10.988 1050 1HH2 ARG 46 2HH2 ARG 46 5.973 33.369 -14.137 1051 2HH2 ARG 46 1HH2 ARG 46 7.413 33.010 -13.245 1052 H CYS 47 H CYS 47 4.829 36.363 -9.025 1053 HA CYS 47 HA CYS 47 5.237 39.196 -9.657 1054 1HB CYS 47 2HB CYS 47 5.305 38.822 -7.212 1055 2HB CYS 47 3HB CYS 47 6.573 37.632 -7.424 1056 H GLN 48 H GLN 48 6.522 39.332 -11.367 1057 HA GLN 48 HA GLN 48 8.224 37.084 -12.132 1058 1HB GLN 48 2HB GLN 48 6.600 38.801 -13.590 1059 2HB GLN 48 3HB GLN 48 8.227 39.371 -13.937 1060 1HG GLN 48 2HG GLN 48 8.255 36.547 -14.106 1061 2HG GLN 48 3HG GLN 48 6.856 37.130 -15.007 1062 1HE2 GLN 48 1HE2 GLN 48 9.809 36.137 -15.502 1063 2HE2 GLN 48 2HE2 GLN 48 10.321 37.172 -16.785 1064 H LEU 49 H LEU 49 8.896 38.900 -9.909 1065 HA LEU 49 HA LEU 49 11.473 39.879 -10.947 1066 1HB LEU 49 2HB LEU 49 9.411 41.346 -9.670 1067 2HB LEU 49 3HB LEU 49 10.771 41.251 -8.552 1068 HG LEU 49 HG LEU 49 11.425 42.037 -11.322 1069 1HD1 LEU 49 1HD1 LEU 49 10.762 44.461 -10.320 1070 2HD1 LEU 49 2HD1 LEU 49 9.442 43.471 -9.699 1071 3HD1 LEU 49 3HD1 LEU 49 9.755 43.535 -11.433 1072 1HD2 LEU 49 1HD2 LEU 49 13.170 43.088 -10.329 1073 2HD2 LEU 49 2HD2 LEU 49 12.817 41.932 -9.043 1074 3HD2 LEU 49 3HD2 LEU 49 12.218 43.588 -8.931 1075 H CYS 50 H CYS 50 9.682 38.396 -8.204 1076 HA CYS 50 HA CYS 50 12.288 37.460 -7.259 1077 1HB CYS 50 2HB CYS 50 11.759 37.839 -5.001 1078 2HB CYS 50 3HB CYS 50 11.278 39.315 -5.817 1079 H ASN 51 H ASN 51 9.851 36.586 -8.942 1080 HA ASN 51 HA ASN 51 8.680 34.683 -9.369 1081 1HB ASN 51 2HB ASN 51 11.146 33.871 -8.230 1082 2HB ASN 51 3HB ASN 51 9.896 32.840 -7.540 1083 1HD2 ASN 51 1HD2 ASN 51 10.492 31.008 -8.616 1084 2HD2 ASN 51 2HD2 ASN 51 10.319 30.813 -10.323 1085 H GLY 52 H GLY 52 8.069 36.442 -6.966 1086 1HA GLY 52 1HA GLY 52 6.989 34.816 -4.917 1087 2HA GLY 52 2HA GLY 52 6.570 36.494 -5.228 1088 H MET 53 H MET 53 4.754 34.478 -4.386 1089 HA MET 53 HA MET 53 3.000 34.356 -6.749 1090 1HB MET 53 2HB MET 53 3.847 32.241 -4.921 1091 2HB MET 53 3HB MET 53 2.098 32.350 -5.075 1092 1HG MET 53 2HG MET 53 2.192 31.994 -7.413 1093 2HG MET 53 3HG MET 53 3.940 32.209 -7.442 1094 1HE MET 53 1HE MET 53 1.058 29.387 -6.394 1095 2HE MET 53 2HE MET 53 1.361 30.105 -7.975 1096 3HE MET 53 3HE MET 53 1.882 28.452 -7.642 1097 H GLY 54 H GLY 54 1.731 36.108 -6.344 1098 1HA GLY 54 1HA GLY 54 -0.530 36.142 -5.000 1099 2HA GLY 54 2HA GLY 54 0.583 36.442 -3.673 1100 H HIS 55 H HIS 55 2.333 38.207 -4.484 1101 HA HIS 55 HA HIS 55 0.724 40.576 -4.966 1102 1HB HIS 55 2HB HIS 55 2.792 41.811 -4.405 1103 2HB HIS 55 3HB HIS 55 2.347 40.652 -3.155 1104 HD1 HIS 55 HD1 HIS 55 3.755 38.336 -3.229 1105 HD2 HIS 55 HD2 HIS 55 5.336 41.550 -5.334 1106 HE1 HIS 55 HE1 HIS 55 6.171 37.757 -3.626 1107 H ASN 56 H ASN 56 2.313 42.316 -6.224 1108 HA ASN 56 HA ASN 56 2.822 41.069 -8.846 1109 1HB ASN 56 2HB ASN 56 1.100 43.255 -8.119 1110 2HB ASN 56 3HB ASN 56 2.352 43.830 -9.216 1111 1HD2 ASN 56 1HD2 ASN 56 -0.673 42.703 -9.131 1112 2HD2 ASN 56 2HD2 ASN 56 -0.775 41.958 -10.686 1113 H ALA 57 H ALA 57 4.536 41.914 -10.104 1114 HA ALA 57 HA ALA 57 6.889 42.480 -8.714 1115 1HB ALA 57 1HB ALA 57 7.467 41.689 -10.740 1116 2HB ALA 57 2HB ALA 57 6.064 42.402 -11.536 1117 3HB ALA 57 3HB ALA 57 7.478 43.394 -11.187 1118 H LYS 58 H LYS 58 4.507 44.617 -10.158 1119 HA LYS 58 HA LYS 58 5.986 47.005 -10.074 1120 1HB LYS 58 2HB LYS 58 3.033 46.418 -10.025 1121 2HB LYS 58 3HB LYS 58 3.644 48.066 -9.952 1122 1HG LYS 58 2HG LYS 58 4.966 46.800 -12.094 1123 2HG LYS 58 3HG LYS 58 3.253 46.392 -12.223 1124 1HD LYS 58 2HD LYS 58 3.526 48.402 -13.430 1125 2HD LYS 58 3HD LYS 58 2.785 48.864 -11.896 1126 1HE LYS 58 2HE LYS 58 5.633 48.885 -11.626 1127 2HE LYS 58 3HE LYS 58 5.173 49.833 -13.041 1128 1HZ LYS 58 1HZ LYS 58 4.738 51.462 -11.618 1129 2HZ LYS 58 2HZ LYS 58 4.854 50.446 -10.271 1130 3HZ LYS 58 3HZ LYS 58 3.389 50.576 -11.109 1131 H GLN 59 H GLN 59 4.483 45.157 -7.589 1132 HA GLN 59 HA GLN 59 4.915 47.355 -5.678 1133 1HB GLN 59 2HB GLN 59 2.549 46.261 -6.077 1134 2HB GLN 59 3HB GLN 59 3.185 45.011 -5.016 1135 1HG GLN 59 2HG GLN 59 3.508 46.580 -3.246 1136 2HG GLN 59 3HG GLN 59 3.116 47.932 -4.308 1137 1HE2 GLN 59 1HE2 GLN 59 0.888 47.401 -5.502 1138 2HE2 GLN 59 2HE2 GLN 59 -0.397 47.031 -4.407 1139 H CYS 60 H CYS 60 6.691 44.968 -6.799 1140 HA CYS 60 HA CYS 60 7.199 43.635 -4.278 1141 1HB CYS 60 2HB CYS 60 7.100 42.317 -6.384 1142 2HB CYS 60 3HB CYS 60 8.480 43.205 -6.998 1143 H ARG 61 H ARG 61 9.034 43.994 -3.107 1144 HA ARG 61 HA ARG 61 10.792 45.139 -2.226 1145 1HB ARG 61 2HB ARG 61 11.538 45.306 -5.150 1146 2HB ARG 61 3HB ARG 61 12.612 45.746 -3.829 1147 1HG ARG 61 2HG ARG 61 11.868 43.241 -3.093 1148 2HG ARG 61 3HG ARG 61 11.862 43.108 -4.852 1149 1HD ARG 61 2HD ARG 61 14.175 44.420 -4.514 1150 2HD ARG 61 3HD ARG 61 14.110 43.551 -2.982 1151 HE ARG 61 HE ARG 61 14.561 42.434 -5.593 1152 1HH1 ARG 61 2HH1 ARG 61 13.472 41.795 -2.349 1153 2HH1 ARG 61 1HH1 ARG 61 13.811 40.098 -2.431 1154 1HH2 ARG 61 2HH2 ARG 61 15.011 40.201 -5.713 1155 2HH2 ARG 61 1HH2 ARG 61 14.688 39.192 -4.344 1156 H LYS 62 H LYS 62 9.187 46.792 -1.621 1157 HA LYS 62 HA LYS 62 10.119 49.388 -2.230 1158 1HB LYS 62 2HB LYS 62 8.733 48.773 -4.300 1159 2HB LYS 62 3HB LYS 62 7.327 48.891 -3.249 1160 1HG LYS 62 2HG LYS 62 7.943 51.221 -2.735 1161 2HG LYS 62 3HG LYS 62 9.291 51.090 -3.867 1162 1HD LYS 62 2HD LYS 62 7.434 50.344 -5.545 1163 2HD LYS 62 3HD LYS 62 6.351 51.153 -4.410 1164 1HE LYS 62 2HE LYS 62 8.585 52.848 -4.864 1165 2HE LYS 62 3HE LYS 62 7.989 52.300 -6.430 1166 1HZ LYS 62 1HZ LYS 62 6.828 54.271 -5.865 1167 2HZ LYS 62 2HZ LYS 62 6.458 53.706 -4.314 1168 3HZ LYS 62 3HZ LYS 62 5.735 52.995 -5.669 1169 H ARG 63 H ARG 63 9.719 50.630 -0.512 1170 HA ARG 63 HA ARG 63 8.895 51.346 1.483 1171 1HB ARG 63 2HB ARG 63 6.895 51.818 0.131 1172 2HB ARG 63 3HB ARG 63 6.312 50.185 0.424 1173 1HG ARG 63 2HG ARG 63 5.124 51.548 1.912 1174 2HG ARG 63 3HG ARG 63 6.365 50.764 2.892 1175 1HD ARG 63 2HD ARG 63 7.549 52.699 3.189 1176 2HD ARG 63 3HD ARG 63 6.999 53.396 1.666 1177 HE ARG 63 HE ARG 63 5.811 53.748 4.217 1178 1HH1 ARG 63 2HH1 ARG 63 5.048 53.409 0.838 1179 2HH1 ARG 63 1HH1 ARG 63 3.568 54.302 0.949 1180 1HH2 ARG 63 2HH2 ARG 63 3.864 54.925 4.376 1181 2HH2 ARG 63 1HH2 ARG 63 2.895 55.164 2.961 1182 H ASP 64 H ASP 64 10.079 49.989 2.812 1183 HA ASP 64 HA ASP 64 10.478 48.350 4.340 1184 1HB ASP 64 2HB ASP 64 7.464 48.488 4.469 1185 2HB ASP 64 3HB ASP 64 8.429 47.512 5.572 Start of MODEL 4 1 1H5* C 160 1H5* C 160 30.729 24.293 -12.174 2 2H5* C 160 2H5* C 160 29.134 23.602 -11.873 3 H4* C 160 H4* C 160 30.381 22.834 -10.084 4 H3* C 160 H3* C 160 28.866 25.294 -9.250 5 H2* C 160 H2* C 160 29.680 25.030 -7.030 6 2HO* C 160 2HO* C 160 29.671 22.840 -6.781 7 H1* C 160 H1* C 160 32.330 24.678 -7.854 8 1H4 C 160 1H4 C 160 31.888 30.920 -6.584 9 2H4 C 160 2H4 C 160 31.195 31.183 -8.168 10 H5 C 160 H5 C 160 30.643 29.443 -9.668 11 H6 C 160 H6 C 160 30.621 26.999 -10.018 12 1H5* U 161 1H5* U 161 27.771 22.377 -6.362 13 2H5* U 161 2H5* U 161 26.027 22.408 -6.104 14 H4* U 161 H4* U 161 27.093 22.702 -3.995 15 H3* U 161 H3* U 161 25.794 25.193 -5.076 16 H2* U 161 H2* U 161 26.282 26.310 -3.032 17 2HO* U 161 2HO* U 161 27.670 24.294 -1.798 18 H1* U 161 H1* U 161 28.958 25.467 -3.028 19 H3 U 161 H3 U 161 28.904 29.984 -3.836 20 H5 U 161 H5 U 161 28.337 28.185 -7.576 21 H6 U 161 H6 U 161 28.079 26.049 -6.398 22 1H5* G 162 1H5* G 162 24.406 24.241 -1.245 23 2H5* G 162 2H5* G 162 22.661 24.348 -1.017 24 H4* G 162 H4* G 162 23.658 25.560 0.749 25 H3* G 162 H3* G 162 22.437 27.319 -1.360 26 H2* G 162 H2* G 162 22.942 29.242 -0.046 27 2HO* G 162 2HO* G 162 23.718 28.847 2.117 28 H1* G 162 H1* G 162 25.602 28.492 0.339 29 H8 G 162 H8 G 162 24.667 27.493 -3.104 30 H1 G 162 H1 G 162 26.007 33.804 -2.586 31 1H2 G 162 1H2 G 162 26.133 34.320 -0.594 32 2H2 G 162 2H2 G 162 25.908 33.208 0.739 33 1H5* C 163 1H5* C 163 21.171 28.478 2.226 34 2H5* C 163 2H5* C 163 19.440 28.681 2.494 35 H4* C 163 H4* C 163 20.374 30.693 3.206 36 H3* C 163 H3* C 163 19.247 30.976 0.431 37 H2* C 163 H2* C 163 19.770 33.292 0.463 38 2HO* C 163 2HO* C 163 20.624 34.085 2.586 39 H1* C 163 H1* C 163 22.379 32.879 1.394 40 1H4 C 163 1H4 C 163 23.044 33.204 -4.943 41 2H4 C 163 2H4 C 163 22.504 31.546 -5.082 42 H5 C 163 H5 C 163 21.731 30.257 -3.260 43 H6 C 163 H6 C 163 21.281 30.244 -0.832 44 1H5* C 164 1H5* C 164 17.804 34.063 2.645 45 2H5* C 164 2H5* C 164 16.048 34.224 2.614 46 H4* C 164 H4* C 164 16.807 36.350 2.074 47 H3* C 164 H3* C 164 16.059 34.854 -0.423 48 H2* C 164 H2* C 164 16.520 36.795 -1.721 49 2HO* C 164 2HO* C 164 17.315 38.657 -0.181 50 H1* C 164 H1* C 164 19.014 37.210 -0.523 51 1H4 C 164 1H4 C 164 20.382 33.791 -5.732 52 2H4 C 164 2H4 C 164 19.870 32.335 -4.909 53 H5 C 164 H5 C 164 18.907 32.312 -2.753 54 H6 C 164 H6 C 164 18.191 33.695 -0.837 55 1H5* C 165 1H5* C 165 13.761 38.469 -0.533 56 2H5* C 165 2H5* C 165 12.179 38.196 -1.265 57 H4* C 165 H4* C 165 13.434 39.842 -2.523 58 H3* C 165 H3* C 165 12.876 37.223 -3.897 59 H2* C 165 H2* C 165 13.794 38.104 -5.907 60 2HO* C 165 2HO* C 165 14.578 40.550 -4.952 61 H1* C 165 H1* C 165 16.082 39.094 -4.599 62 1H4 C 165 1H4 C 165 17.806 33.431 -7.026 63 2H4 C 165 2H4 C 165 17.230 32.664 -5.563 64 H5 C 165 H5 C 165 16.091 33.806 -3.839 65 H6 C 165 H6 C 165 15.213 35.989 -3.086 66 1H5* U 166 1H5* U 166 11.710 40.287 -6.258 67 2H5* U 166 2H5* U 166 10.016 40.281 -6.744 68 H4* U 166 H4* U 166 11.184 40.719 -8.712 69 H3* U 166 H3* U 166 10.372 37.831 -8.565 70 H2* U 166 H2* U 166 11.280 37.453 -10.725 71 2HO* U 166 2HO* U 166 12.164 40.121 -10.956 72 H1* U 166 H1* U 166 13.699 38.721 -10.150 73 H3 U 166 H3 U 166 14.595 34.243 -10.367 74 H5 U 166 H5 U 166 13.151 34.865 -6.485 75 H6 U 166 H6 U 166 12.569 37.145 -7.173 76 1H5* C 167 1H5* C 167 8.372 39.112 -12.424 77 2H5* C 167 2H5* C 167 6.746 38.464 -12.217 78 H4* C 167 H4* C 167 7.653 37.692 -14.303 79 H3* C 167 H3* C 167 7.282 35.612 -12.171 80 H2* C 167 H2* C 167 8.000 33.914 -13.669 81 2HO* C 167 2HO* C 167 8.221 34.524 -15.908 82 H1* C 167 H1* C 167 10.249 35.393 -14.506 83 1H4 C 167 1H4 C 167 12.376 31.352 -10.020 84 2H4 C 167 2H4 C 167 12.011 32.561 -8.810 85 H5 C 167 H5 C 167 10.895 34.590 -9.272 86 H6 C 167 H6 C 167 9.844 35.972 -11.027 87 1H5* A 168 1H5* A 168 3.973 33.914 -15.020 88 2H5* A 168 2H5* A 168 2.808 35.039 -15.718 89 H4* A 168 H4* A 168 2.345 33.326 -13.266 90 H3* A 168 H3* A 168 1.975 32.711 -16.094 91 H2* A 168 H2* A 168 -0.257 33.284 -16.052 92 2HO* A 168 2HO* A 168 -1.338 31.434 -14.831 93 H1* A 168 H1* A 168 -0.093 33.007 -12.999 94 H8 A 168 H8 A 168 -1.937 34.488 -15.939 95 1H6 A 168 1H6 A 168 -6.101 36.574 -11.783 96 2H6 A 168 2H6 A 168 -5.767 36.404 -13.492 97 H2 A 168 H2 A 168 -2.657 34.860 -9.560 98 1H5* U 169 1H5* U 169 2.909 31.377 -17.977 99 2H5* U 169 2H5* U 169 4.450 30.520 -17.999 100 H4* U 169 H4* U 169 4.513 33.358 -17.123 101 H3* U 169 H3* U 169 3.624 32.563 -19.861 102 H2* U 169 H2* U 169 5.050 34.176 -20.873 103 2HO* U 169 2HO* U 169 5.776 35.831 -19.579 104 H1* U 169 H1* U 169 7.307 33.369 -19.479 105 H3 U 169 H3 U 169 8.283 31.453 -23.422 106 H5 U 169 H5 U 169 4.943 29.281 -22.131 107 H6 U 169 H6 U 169 4.792 30.828 -20.236 108 1H5* C 170 1H5* C 170 0.062 34.690 -18.441 109 2H5* C 170 2H5* C 170 -0.660 36.016 -19.353 110 H4* C 170 H4* C 170 -1.120 36.332 -17.024 111 H3* C 170 H3* C 170 0.800 38.280 -18.254 112 H2* C 170 H2* C 170 0.963 39.466 -16.205 113 2HO* C 170 2HO* C 170 -1.000 39.397 -15.269 114 H1* C 170 H1* C 170 1.309 37.092 -14.700 115 1H4 C 170 1H4 C 170 7.207 39.420 -15.467 116 2H4 C 170 2H4 C 170 7.268 38.700 -17.061 117 H5 C 170 H5 C 170 5.438 37.615 -18.085 118 H6 C 170 H6 C 170 3.075 36.947 -17.830 119 1H5* C 171 1H5* C 171 -1.308 41.793 -20.239 120 2H5* C 171 2H5* C 171 0.403 42.146 -20.000 121 H4* C 171 H4* C 171 -1.830 42.238 -18.105 122 H3* C 171 H3* C 171 0.856 43.575 -18.385 123 H2* C 171 H2* C 171 0.694 44.304 -16.132 124 2HO* C 171 2HO* C 171 -1.819 43.049 -15.810 125 H1* C 171 H1* C 171 -0.138 41.767 -15.214 126 1H4 C 171 1H4 C 171 6.155 42.135 -14.067 127 2H4 C 171 2H4 C 171 6.436 41.404 -15.631 128 H5 C 171 H5 C 171 4.730 40.974 -17.208 129 H6 C 171 H6 C 171 2.311 41.140 -17.675 130 1H5* G 172 1H5* G 172 -1.630 47.468 -18.521 131 2H5* G 172 2H5* G 172 -0.970 48.260 -19.951 132 H4* G 172 H4* G 172 -0.555 49.674 -18.089 133 H3* G 172 H3* G 172 1.891 48.276 -19.134 134 H2* G 172 H2* G 172 3.240 49.496 -17.595 135 2HO* G 172 2HO* G 172 1.043 50.759 -16.397 136 H1* G 172 H1* G 172 1.613 48.873 -15.414 137 H8 G 172 H8 G 172 1.878 46.019 -17.843 138 H1 G 172 H1 G 172 6.689 46.249 -13.521 139 1H2 G 172 1H2 G 172 6.585 48.020 -12.469 140 2H2 G 172 2H2 G 172 5.376 49.257 -12.720 141 1H5* U 173 1H5* U 173 2.880 52.277 -19.099 142 2H5* U 173 2H5* U 173 3.587 52.845 -20.611 143 H4* U 173 H4* U 173 5.108 53.408 -18.893 144 H3* U 173 H3* U 173 6.023 51.039 -20.513 145 H2* U 173 H2* U 173 8.090 51.075 -19.342 146 2HO* U 173 2HO* U 173 8.400 52.945 -17.890 147 H1* U 173 H1* U 173 6.794 51.355 -16.833 148 H3 U 173 H3 U 173 8.812 47.277 -16.648 149 H5 U 173 H5 U 173 5.412 46.653 -19.012 150 H6 U 173 H6 U 173 5.072 49.081 -18.989 151 1H5* C 174 1H5* C 174 9.104 53.918 -20.869 152 2H5* C 174 2H5* C 174 9.720 54.024 -22.519 153 H4* C 174 H4* C 174 11.554 53.556 -21.074 154 H3* C 174 H3* C 174 10.712 51.244 -22.800 155 H2* C 174 H2* C 174 12.529 49.960 -21.978 156 2HO* C 174 2HO* C 174 14.259 51.123 -21.322 157 H1* C 174 H1* C 174 12.003 50.762 -19.289 158 1H4 C 174 1H4 C 174 9.695 44.823 -19.691 159 2H4 C 174 2H4 C 174 8.274 45.440 -20.504 160 H5 C 174 H5 C 174 8.004 47.695 -21.151 161 H6 C 174 H6 C 174 9.040 49.937 -21.176 162 1H5* U 175 1H5* U 175 12.194 53.752 -27.246 163 2H5* U 175 2H5* U 175 11.153 52.330 -27.304 164 H4* U 175 H4* U 175 13.298 50.965 -27.585 165 H3* U 175 H3* U 175 14.439 53.734 -27.907 166 H2* U 175 H2* U 175 15.897 52.932 -29.579 167 2HO* U 175 2HO* U 175 14.970 50.277 -29.232 168 H1* U 175 H1* U 175 13.812 51.280 -30.702 169 H3 U 175 H3 U 175 14.664 53.768 -34.346 170 H5 U 175 H5 U 175 13.388 56.610 -31.547 171 H6 U 175 H6 U 175 13.325 54.805 -29.890 172 1H5* C 176 1H5* C 176 15.621 51.515 -24.053 173 2H5* C 176 2H5* C 176 16.743 52.575 -23.199 174 H4* C 176 H4* C 176 18.474 50.910 -23.259 175 H3* C 176 H3* C 176 16.664 49.425 -25.150 176 H2* C 176 H2* C 176 17.555 47.369 -24.368 177 2HO* C 176 2HO* C 176 19.552 47.443 -23.397 178 H1* C 176 H1* C 176 17.317 48.108 -21.662 179 1H4 C 176 1H4 C 176 12.076 44.655 -22.840 180 2H4 C 176 2H4 C 176 11.325 46.061 -23.562 181 H5 C 176 H5 C 176 12.436 48.116 -23.905 182 H6 C 176 H6 C 176 14.562 49.342 -23.637 183 1H5* G 177 1H5* G 177 20.942 48.080 -26.217 184 2H5* G 177 2H5* G 177 20.861 47.758 -27.950 185 H4* G 177 H4* G 177 21.679 45.837 -26.641 186 H3* G 177 H3* G 177 19.186 45.573 -28.291 187 H2* G 177 H2* G 177 19.055 43.258 -27.740 188 2HO* G 177 2HO* G 177 20.893 42.411 -26.480 189 H1* G 177 H1* G 177 19.343 43.719 -25.002 190 H8 G 177 H8 G 177 17.292 46.513 -26.223 191 H1 G 177 H1 G 177 13.913 41.016 -25.721 192 1H2 G 177 1H2 G 177 15.207 39.434 -25.443 193 2H2 G 177 2H2 G 177 16.948 39.576 -25.359 194 1H5* C 178 1H5* C 178 21.750 42.416 -29.599 195 2H5* C 178 2H5* C 178 21.690 42.247 -31.353 196 H4* C 178 H4* C 178 21.110 40.156 -30.302 197 H3* C 178 H3* C 178 18.920 41.567 -31.795 198 H2* C 178 H2* C 178 17.441 39.758 -31.375 199 2HO* C 178 2HO* C 178 18.436 37.834 -31.154 200 H1* C 178 H1* C 178 18.128 39.629 -28.641 201 1H4 C 178 1H4 C 178 12.714 43.029 -28.893 202 2H4 C 178 2H4 C 178 13.668 44.473 -29.151 203 H5 C 178 H5 C 178 16.008 44.465 -29.471 204 H6 C 178 H6 C 178 18.029 43.055 -29.624 205 1H5* U 179 1H5* U 179 19.131 37.610 -33.627 206 2H5* U 179 2H5* U 179 19.085 37.824 -35.377 207 H4* U 179 H4* U 179 17.364 36.290 -34.741 208 H3* U 179 H3* U 179 16.399 38.981 -35.669 209 H2* U 179 H2* U 179 14.151 38.231 -35.514 210 2HO* U 179 2HO* U 179 13.808 35.985 -35.334 211 H1* U 179 H1* U 179 14.508 37.142 -32.953 212 H3 U 179 H3 U 179 11.807 40.824 -32.535 213 H5 U 179 H5 U 179 15.720 42.317 -32.486 214 H6 U 179 H6 U 179 16.479 40.070 -33.112 215 1H5* U 180 1H5* U 180 14.494 36.217 -37.813 216 2H5* U 180 2H5* U 180 14.300 36.454 -39.551 217 H4* U 180 H4* U 180 12.134 36.224 -38.589 218 H3* U 180 H3* U 180 12.823 38.985 -39.530 219 H2* U 180 H2* U 180 10.678 39.782 -38.907 220 2HO* U 180 2HO* U 180 9.101 38.149 -38.297 221 H1* U 180 H1* U 180 10.784 38.502 -36.382 222 H3 U 180 H3 U 180 10.849 42.865 -35.199 223 H5 U 180 H5 U 180 14.631 42.244 -36.887 224 H6 U 180 H6 U 180 13.869 40.002 -37.524 225 1H5* A 181 1H5* A 181 10.559 37.584 -43.606 226 2H5* A 181 2H5* A 181 11.305 38.795 -44.649 227 H4* A 181 H4* A 181 8.829 39.052 -44.198 228 H3* A 181 H3* A 181 10.802 41.285 -43.782 229 H2* A 181 H2* A 181 9.007 42.763 -43.291 230 2HO* A 181 2HO* A 181 7.014 42.197 -44.069 231 H1* A 181 H1* A 181 7.782 40.979 -41.513 232 H8 A 181 H8 A 181 11.519 40.877 -41.229 233 1H6 A 181 1H6 A 181 10.992 45.533 -37.104 234 2H6 A 181 2H6 A 181 12.106 44.383 -37.810 235 H2 A 181 H2 A 181 7.015 44.874 -38.973 236 1H5* U 182 1H5* U 182 9.283 39.865 -47.705 237 2H5* U 182 2H5* U 182 10.928 39.489 -47.191 238 H4* U 182 H4* U 182 11.756 39.792 -49.445 239 H3* U 182 H3* U 182 8.960 40.734 -50.091 240 H2* U 182 H2* U 182 9.223 39.912 -52.270 241 2HO* U 182 2HO* U 182 11.622 39.247 -52.695 242 H1* U 182 H1* U 182 10.815 37.671 -51.270 243 H3 U 182 H3 U 182 7.726 35.619 -53.902 244 H5 U 182 H5 U 182 5.539 36.939 -50.583 245 H6 U 182 H6 U 182 7.554 38.134 -49.856 246 1H5* U 183 1H5* U 183 9.523 46.126 -50.026 247 2H5* U 183 2H5* U 183 9.499 45.548 -51.692 248 H4* U 183 H4* U 183 12.164 45.407 -51.132 249 H3* U 183 H3* U 183 11.038 47.465 -49.293 250 H2* U 183 H2* U 183 12.718 49.044 -49.870 251 2HO* U 183 2HO* U 183 13.893 47.392 -51.800 252 H1* U 183 H1* U 183 12.343 48.801 -52.595 253 H3 U 183 H3 U 183 10.259 52.714 -51.663 254 H5 U 183 H5 U 183 7.561 49.802 -50.333 255 H6 U 183 H6 U 183 9.291 48.128 -50.795 256 1H5* C 184 1H5* C 184 11.369 46.127 -45.371 257 2H5* C 184 2H5* C 184 12.487 47.414 -45.821 258 H4* C 184 H4* C 184 12.689 45.365 -43.699 259 H3* C 184 H3* C 184 13.507 48.246 -44.038 260 H2* C 184 H2* C 184 15.154 47.989 -42.439 261 2HO* C 184 2HO* C 184 14.749 46.169 -40.867 262 H1* C 184 H1* C 184 15.272 45.071 -43.035 263 1H4 C 184 1H4 C 184 21.366 46.905 -43.498 264 2H4 C 184 2H4 C 184 20.975 47.830 -44.931 265 H5 C 184 H5 C 184 18.783 48.101 -45.766 266 H6 C 184 H6 C 184 16.401 47.544 -45.428 267 1H5* G 185 1H5* G 185 10.735 50.487 -39.626 268 2H5* G 185 2H5* G 185 12.447 50.597 -40.030 269 H4* G 185 H4* G 185 11.107 49.135 -37.788 270 H3* G 185 H3* G 185 13.267 51.179 -38.052 271 H2* G 185 H2* G 185 14.420 50.314 -36.155 272 2HO* G 185 2HO* G 185 12.891 48.138 -35.621 273 H1* G 185 H1* G 185 14.373 47.691 -37.107 274 H8 G 185 H8 G 185 14.832 50.175 -39.885 275 H1 G 185 H1 G 185 20.338 48.501 -36.923 276 1H2 G 185 1H2 G 185 19.904 47.394 -35.239 277 2H2 G 185 2H2 G 185 18.289 46.981 -34.707 278 1H5* G 186 1H5* G 186 9.649 52.588 -33.632 279 2H5* G 186 2H5* G 186 9.816 53.483 -35.143 280 H4* G 186 H4* G 186 11.289 54.159 -32.587 281 H3* G 186 H3* G 186 8.617 55.082 -33.588 282 H2* G 186 H2* G 186 9.053 57.282 -32.784 283 2HO* G 186 2HO* G 186 11.051 57.533 -31.532 284 H1* G 186 H1* G 186 11.555 57.419 -34.013 285 H8 G 186 H8 G 186 8.949 55.564 -36.020 286 H1 G 186 H1 G 186 9.072 61.950 -37.059 287 1H2 G 186 1H2 G 186 10.339 62.846 -35.701 288 2H2 G 186 2H2 G 186 11.236 61.992 -34.465 289 1H5* G 187 1H5* G 187 7.453 51.872 -29.794 290 2H5* G 187 2H5* G 187 8.570 52.536 -30.985 291 H4* G 187 H4* G 187 5.709 52.910 -31.614 292 H3* G 187 H3* G 187 6.838 50.156 -31.240 293 H2* G 187 H2* G 187 5.700 49.403 -33.192 294 2HO* G 187 2HO* G 187 4.085 50.757 -34.043 295 H1* G 187 H1* G 187 6.639 51.508 -34.763 296 H8 G 187 H8 G 187 9.437 50.669 -32.529 297 H1 G 187 H1 G 187 8.755 46.391 -37.338 298 1H2 G 187 1H2 G 187 6.944 46.693 -38.278 299 2H2 G 187 2H2 G 187 5.784 47.923 -37.829 300 1H5* G 188 1H5* G 188 3.014 49.384 -32.674 301 2H5* G 188 2H5* G 188 2.160 48.694 -31.294 302 H4* G 188 H4* G 188 1.616 47.254 -33.018 303 H3* G 188 H3* G 188 3.913 46.111 -31.452 304 H2* G 188 H2* G 188 3.842 44.147 -32.800 305 2HO* G 188 2HO* G 188 1.894 44.920 -34.556 306 H1* G 188 H1* G 188 3.826 45.594 -35.193 307 H8 G 188 H8 G 188 6.087 47.449 -32.972 308 H1 G 188 H1 G 188 8.824 42.082 -35.337 309 1H2 G 188 1H2 G 188 7.378 40.901 -36.213 310 2H2 G 188 2H2 G 188 5.679 41.304 -36.294 311 1H5* A 189 1H5* A 189 1.069 42.516 -31.107 312 2H5* A 189 2H5* A 189 1.449 42.082 -29.439 313 H4* A 189 H4* A 189 1.886 40.292 -31.128 314 H3* A 189 H3* A 189 4.061 41.272 -29.292 315 H2* A 189 H2* A 189 5.504 39.571 -30.122 316 2HO* A 189 2HO* A 189 4.489 37.804 -30.909 317 H1* A 189 H1* A 189 4.930 40.170 -32.801 318 H8 A 189 H8 A 189 5.138 43.351 -30.901 319 1H6 A 189 1H6 A 189 11.323 43.117 -31.708 320 2H6 A 189 2H6 A 189 10.000 44.129 -31.171 321 H2 A 189 H2 A 189 9.606 39.222 -32.985 322 1H5* G 190 1H5* G 190 3.778 36.768 -28.676 323 2H5* G 190 2H5* G 190 3.993 36.598 -26.934 324 H4* G 190 H4* G 190 5.544 35.189 -28.192 325 H3* G 190 H3* G 190 6.676 37.370 -26.461 326 H2* G 190 H2* G 190 8.878 36.590 -26.931 327 2HO* G 190 2HO* G 190 8.986 34.581 -28.215 328 H1* G 190 H1* G 190 8.450 36.530 -29.690 329 H8 G 190 H8 G 190 6.641 39.498 -28.472 330 H1 G 190 H1 G 190 13.030 40.465 -28.824 331 1H2 G 190 1H2 G 190 13.986 38.660 -29.111 332 2H2 G 190 2H2 G 190 13.176 37.114 -29.236 333 1H5* C 191 1H5* C 191 8.656 34.068 -25.560 334 2H5* C 191 2H5* C 191 8.601 33.552 -23.874 335 H4* C 191 H4* C 191 10.863 33.516 -24.377 336 H3* C 191 H3* C 191 10.182 36.092 -22.979 337 H2* C 191 H2* C 191 12.483 36.683 -22.975 338 2HO* C 191 2HO* C 191 13.929 34.926 -23.880 339 H1* C 191 H1* C 191 12.833 36.052 -25.682 340 1H4 C 191 1H4 C 191 11.641 42.315 -25.766 341 2H4 C 191 2H4 C 191 9.941 41.998 -25.501 342 H5 C 191 H5 C 191 9.047 39.847 -25.117 343 H6 C 191 H6 C 191 9.569 37.444 -24.891 344 1H5* G 192 1H5* G 192 13.483 34.236 -21.142 345 2H5* G 192 2H5* G 192 13.298 34.130 -19.391 346 H4* G 192 H4* G 192 15.447 35.012 -19.776 347 H3* G 192 H3* G 192 13.476 37.083 -18.864 348 H2* G 192 H2* G 192 15.200 38.727 -18.831 349 2HO* G 192 2HO* G 192 17.049 36.799 -19.806 350 H1* G 192 H1* G 192 16.074 38.111 -21.409 351 H8 G 192 H8 G 192 12.369 37.786 -21.303 352 H1 G 192 H1 G 192 14.378 43.902 -21.970 353 1H2 G 192 1H2 G 192 16.413 43.997 -21.649 354 2H2 G 192 2H2 G 192 17.425 42.625 -21.257 355 1H5* G 193 1H5* G 193 16.889 37.400 -16.495 356 2H5* G 193 2H5* G 193 16.555 37.719 -14.793 357 H4* G 193 H4* G 193 17.987 39.439 -15.691 358 H3* G 193 H3* G 193 15.208 40.265 -14.912 359 H2* G 193 H2* G 193 15.725 42.534 -15.423 360 2HO* G 193 2HO* G 193 18.189 42.412 -16.393 361 H1* G 193 H1* G 193 16.759 41.911 -17.939 362 H8 G 193 H8 G 193 13.912 39.628 -17.468 363 H1 G 193 H1 G 193 12.036 45.642 -18.951 364 1H2 G 193 1H2 G 193 13.642 46.924 -18.787 365 2H2 G 193 2H2 G 193 15.257 46.442 -18.319 366 1H5* A 194 1H5* A 194 17.671 43.203 -12.590 367 2H5* A 194 2H5* A 194 17.160 42.819 -10.946 368 H4* A 194 H4* A 194 16.992 45.159 -11.165 369 H3* A 194 H3* A 194 14.324 43.782 -11.255 370 H2* A 194 H2* A 194 13.229 45.886 -11.366 371 2HO* A 194 2HO* A 194 15.455 47.489 -11.427 372 H1* A 194 H1* A 194 14.865 46.861 -13.402 373 H8 A 194 H8 A 194 14.214 43.206 -13.879 374 1H6 A 194 1H6 A 194 9.038 44.864 -16.947 375 2H6 A 194 2H6 A 194 10.077 43.514 -16.546 376 H2 A 194 H2 A 194 10.754 48.497 -15.051 377 1H5* C 195 1H5* C 195 13.807 46.595 -7.969 378 2H5* C 195 2H5* C 195 12.956 45.737 -6.683 379 H4* C 195 H4* C 195 11.733 47.720 -7.348 380 H3* C 195 H3* C 195 10.445 45.066 -7.944 381 H2* C 195 H2* C 195 8.500 46.182 -8.703 382 2HO* C 195 2HO* C 195 8.128 48.094 -7.727 383 H1* C 195 H1* C 195 10.032 48.095 -10.166 384 1H4 C 195 1H4 C 195 7.714 43.949 -14.464 385 2H4 C 195 2H4 C 195 9.145 42.971 -14.226 386 H5 C 195 H5 C 195 10.781 43.410 -12.580 387 H6 C 195 H6 C 195 11.453 44.911 -10.738 388 1H5* G 196 1H5* G 196 7.968 46.051 -4.285 389 2H5* G 196 2H5* G 196 8.140 44.640 -3.241 390 H4* G 196 H4* G 196 5.858 44.754 -3.720 391 H3* G 196 H3* G 196 7.218 42.683 -5.425 392 H2* G 196 H2* G 196 5.101 42.043 -6.312 393 2HO* G 196 2HO* G 196 3.829 44.069 -4.781 394 H1* G 196 H1* G 196 4.369 44.683 -6.891 395 H8 G 196 H8 G 196 8.012 43.832 -7.467 396 H1 G 196 H1 G 196 4.175 42.805 -12.575 397 1H2 G 196 1H2 G 196 2.206 43.065 -12.021 398 2H2 G 196 2H2 G 196 1.674 43.497 -10.412 399 1H5* A 197 1H5* A 197 7.956 39.108 -1.231 400 2H5* A 197 2H5* A 197 6.679 38.511 -2.293 401 H4* A 197 H4* A 197 6.516 39.394 0.568 402 H3* A 197 H3* A 197 5.783 36.920 -0.969 403 H2* A 197 H2* A 197 3.924 36.570 0.343 404 2HO* A 197 2HO* A 197 4.514 38.157 2.489 405 H1* A 197 H1* A 197 3.889 39.475 1.054 406 H8 A 197 H8 A 197 2.732 37.751 -2.150 407 1H6 A 197 1H6 A 197 -3.057 38.914 -0.130 408 2H6 A 197 2H6 A 197 -2.123 38.278 -1.465 409 H2 A 197 H2 A 197 -0.202 40.182 3.029 410 1H5* U 198 1H5* U 198 9.628 34.775 3.189 411 2H5* U 198 2H5* U 198 9.375 34.226 1.532 412 H4* U 198 H4* U 198 7.933 32.503 2.185 413 H3* U 198 H3* U 198 7.587 33.971 4.803 414 H2* U 198 H2* U 198 7.244 31.959 5.869 415 2HO* U 198 2HO* U 198 5.520 31.225 4.720 416 H1* U 198 H1* U 198 8.688 30.554 3.658 417 H3 U 198 H3 U 198 11.351 28.224 6.379 418 H5 U 198 H5 U 198 10.357 31.536 8.741 419 H6 U 198 H6 U 198 9.092 32.398 6.825 420 1H5* G 199 1H5* G 199 2.041 34.121 2.806 421 2H5* G 199 2H5* G 199 2.593 35.291 4.004 422 H4* G 199 H4* G 199 0.597 34.537 4.894 423 H3* G 199 H3* G 199 2.876 33.020 6.138 424 H2* G 199 H2* G 199 1.336 31.902 7.570 425 2HO* G 199 2HO* G 199 -0.634 32.872 7.866 426 H1* G 199 H1* G 199 -0.373 31.214 5.466 427 H8 G 199 H8 G 199 3.315 31.079 6.395 428 H1 G 199 H1 G 199 0.898 25.569 4.009 429 1H2 G 199 1H2 G 199 -1.035 25.887 3.367 430 2H2 G 199 2H2 G 199 -1.876 27.418 3.460 431 1H5* A 200 1H5* A 200 3.880 36.652 9.561 432 2H5* A 200 2H5* A 200 5.271 36.812 8.489 433 H4* A 200 H4* A 200 5.605 35.986 10.925 434 H3* A 200 H3* A 200 6.928 34.853 8.472 435 H2* A 200 H2* A 200 8.191 33.382 9.841 436 2HO* A 200 2HO* A 200 7.227 33.993 12.288 437 H1* A 200 H1* A 200 5.977 32.543 11.325 438 H8 A 200 H8 A 200 4.792 32.936 7.854 439 1H6 A 200 1H6 A 200 7.148 27.284 6.646 440 2H6 A 200 2H6 A 200 6.130 28.560 6.015 441 H2 A 200 H2 A 200 8.612 28.577 10.638 442 1H5* C 201 1H5* C 201 11.864 36.814 11.118 443 2H5* C 201 2H5* C 201 11.586 35.526 9.946 444 H4* C 201 H4* C 201 9.646 35.933 12.199 445 H3* C 201 H3* C 201 12.376 34.661 12.442 446 H2* C 201 H2* C 201 11.467 33.147 14.015 447 2HO* C 201 2HO* C 201 8.889 34.148 14.002 448 H1* C 201 H1* C 201 9.088 32.821 12.432 449 1H4 C 201 1H4 C 201 12.228 27.358 11.499 450 2H4 C 201 2H4 C 201 13.466 28.206 10.601 451 H5 C 201 H5 C 201 13.515 30.552 10.323 452 H6 C 201 H6 C 201 12.378 32.680 10.847 453 1H5* C 202 1H5* C 202 11.284 36.012 16.469 454 2H5* C 202 2H5* C 202 12.676 36.012 17.551 455 H4* C 202 H4* C 202 10.914 34.305 18.060 456 H3* C 202 H3* C 202 13.768 33.446 17.567 457 H2* C 202 H2* C 202 13.177 31.274 18.276 458 2HO* C 202 2HO* C 202 10.935 31.138 19.244 459 H1* C 202 H1* C 202 10.662 31.410 16.882 460 1H4 C 202 1H4 C 202 14.349 27.394 13.527 461 2H4 C 202 2H4 C 202 15.023 28.772 12.687 462 H5 C 202 H5 C 202 14.548 31.017 13.248 463 H6 C 202 H6 C 202 13.298 32.506 14.770 464 1H5* C 203 1H5* C 203 13.345 32.708 22.131 465 2H5* C 203 2H5* C 203 15.025 32.715 22.666 466 H4* C 203 H4* C 203 13.807 30.575 23.060 467 H3* C 203 H3* C 203 16.338 30.613 21.424 468 H2* C 203 H2* C 203 16.312 28.237 21.404 469 2HO* C 203 2HO* C 203 14.474 27.299 22.748 470 H1* C 203 H1* C 203 13.559 28.149 20.745 471 1H4 C 203 1H4 C 203 16.653 27.238 15.225 472 2H4 C 203 2H4 C 203 16.797 28.972 15.046 473 H5 C 203 H5 C 203 16.137 30.524 16.700 474 H6 C 203 H6 C 203 15.167 30.797 18.954 475 1H5* U 204 1H5* U 204 17.060 28.164 25.000 476 2H5* U 204 2H5* U 204 18.765 28.181 25.448 477 H4* U 204 H4* U 204 17.883 25.920 24.968 478 H3* U 204 H3* U 204 20.178 27.011 23.360 479 H2* U 204 H2* U 204 20.401 24.904 22.272 480 2HO* U 204 2HO* U 204 19.843 23.305 23.626 481 H1* U 204 H1* U 204 17.671 24.734 21.681 482 H3 U 204 H3 U 204 20.136 25.508 17.842 483 H5 U 204 H5 U 204 19.080 29.275 19.337 484 H6 U 204 H6 U 204 18.310 28.142 21.372 485 1H5* A 205 1H5* A 205 22.817 24.825 26.755 486 2H5* A 205 2H5* A 205 24.393 25.478 26.308 487 H4* A 205 H4* A 205 23.784 23.040 25.678 488 H3* A 205 H3* A 205 25.162 25.033 23.895 489 H2* A 205 H2* A 205 25.416 23.356 22.234 490 2HO* A 205 2HO* A 205 24.731 21.150 22.930 491 H1* A 205 H1* A 205 22.758 22.512 22.395 492 H8 A 205 H8 A 205 22.627 26.163 22.789 493 1H6 A 205 1H6 A 205 23.083 26.650 16.584 494 2H6 A 205 2H6 A 205 22.741 27.534 18.054 495 H2 A 205 H2 A 205 23.962 22.444 17.717 496 1H5* G 206 1H5* G 206 29.108 25.478 23.176 497 2H5* G 206 2H5* G 206 27.932 26.183 22.066 498 H4* G 206 H4* G 206 29.935 25.077 21.011 499 H3* G 206 H3* G 206 27.112 24.387 20.251 500 H2* G 206 H2* G 206 27.926 22.941 18.542 501 2HO* G 206 2HO* G 206 29.693 24.123 17.871 502 H1* G 206 H1* G 206 29.688 21.620 20.249 503 H8 G 206 H8 G 206 26.067 22.703 19.991 504 H1 G 206 H1 G 206 26.929 16.712 22.281 505 1H2 G 206 1H2 G 206 28.939 16.377 22.598 506 2H2 G 206 2H2 G 206 30.203 17.546 22.289 507 1H5* U 207 1H5* U 207 26.181 25.503 15.952 508 2H5* U 207 2H5* U 207 27.593 25.811 14.941 509 H4* U 207 H4* U 207 25.473 27.306 14.730 510 H3* U 207 H3* U 207 28.334 28.233 14.691 511 H2* U 207 H2* U 207 27.606 30.455 14.287 512 2HO* U 207 2HO* U 207 25.286 30.707 13.835 513 H1* U 207 H1* U 207 25.688 30.422 16.310 514 H3 U 207 H3 U 207 28.738 33.005 18.360 515 H5 U 207 H5 U 207 30.676 29.301 18.101 516 H6 U 207 H6 U 207 28.754 28.498 16.807 517 1H5* A 208 1H5* A 208 28.540 29.500 9.506 518 2H5* A 208 2H5* A 208 26.951 29.168 8.818 519 H4* A 208 H4* A 208 28.557 28.086 7.450 520 H3* A 208 H3* A 208 26.887 26.272 9.132 521 H2* A 208 H2* A 208 28.017 24.342 8.316 522 2HO* A 208 2HO* A 208 28.842 24.607 6.324 523 H1* A 208 H1* A 208 30.553 25.400 8.834 524 H8 A 208 H8 A 208 27.545 25.910 11.156 525 1H6 A 208 1H6 A 208 30.133 21.448 14.670 526 2H6 A 208 2H6 A 208 28.803 22.581 14.570 527 H2 A 208 H2 A 208 32.609 21.950 11.015 528 1H5* G 209 1H5* G 209 25.545 24.814 5.968 529 2H5* G 209 2H5* G 209 23.866 24.278 6.024 530 H4* G 209 H4* G 209 25.552 22.659 6.930 531 H3* G 209 H3* G 209 23.190 23.572 8.546 532 H2* G 209 H2* G 209 23.791 22.052 10.280 533 2HO* G 209 2HO* G 209 26.094 21.263 8.820 534 H1* G 209 H1* G 209 26.445 22.910 10.349 535 H8 G 209 H8 G 209 24.450 25.939 9.709 536 H1 G 209 H1 G 209 24.196 24.070 15.900 537 1H2 G 209 1H2 G 209 24.984 22.173 16.079 538 2H2 G 209 2H2 G 209 25.620 21.229 14.750 539 1H5* A 210 1H5* A 210 23.584 19.490 9.561 540 2H5* A 210 2H5* A 210 22.024 18.797 9.117 541 H4* A 210 H4* A 210 22.504 18.203 11.381 542 H3* A 210 H3* A 210 20.317 20.254 11.080 543 H2* A 210 H2* A 210 19.882 20.083 13.407 544 2HO* A 210 2HO* A 210 20.827 18.297 14.521 545 H1* A 210 H1* A 210 22.620 20.226 14.082 546 H8 A 210 H8 A 210 21.744 22.636 11.364 547 1H6 A 210 1H6 A 210 20.201 26.669 15.869 548 2H6 A 210 2H6 A 210 20.459 26.498 14.148 549 H2 A 210 H2 A 210 20.926 22.705 17.741 550 1H5* G 211 1H5* G 211 18.504 16.630 13.167 551 2H5* G 211 2H5* G 211 16.837 16.582 12.599 552 H4* G 211 H4* G 211 17.032 16.607 15.058 553 H3* G 211 H3* G 211 15.561 18.823 13.659 554 H2* G 211 H2* G 211 14.915 19.718 15.770 555 2HO* G 211 2HO* G 211 15.819 18.326 17.642 556 H1* G 211 H1* G 211 17.517 19.644 16.785 557 H8 G 211 H8 G 211 17.842 20.590 13.237 558 H1 G 211 H1 G 211 15.889 25.516 16.952 559 1H2 G 211 1H2 G 211 15.348 24.805 18.810 560 2H2 G 211 2H2 G 211 15.413 23.124 19.290 561 1H5* G 212 1H5* G 212 11.869 16.924 16.100 562 2H5* G 212 2H5* G 212 10.728 17.138 14.772 563 H4* G 212 H4* G 212 10.047 18.184 16.936 564 H3* G 212 H3* G 212 10.244 19.794 14.406 565 H2* G 212 H2* G 212 9.360 21.689 15.550 566 2HO* G 212 2HO* G 212 9.155 20.769 18.062 567 H1* G 212 H1* G 212 11.156 21.449 17.678 568 H8 G 212 H8 G 212 12.878 20.553 14.496 569 H1 G 212 H1 G 212 12.546 26.933 15.529 570 1H2 G 212 1H2 G 212 11.277 27.309 17.111 571 2H2 G 212 2H2 G 212 10.430 26.079 18.022 572 1H5* G 213 1H5* G 213 5.595 18.871 14.195 573 2H5* G 213 2H5* G 213 5.340 18.938 12.451 574 H4* G 213 H4* G 213 4.284 20.794 13.749 575 H3* G 213 H3* G 213 6.217 21.364 11.513 576 H2* G 213 H2* G 213 5.731 23.687 11.720 577 2HO* G 213 2HO* G 213 3.490 23.227 12.174 578 H1* G 213 H1* G 213 6.074 23.655 14.510 579 H8 G 213 H8 G 213 8.659 21.491 12.951 580 H1 G 213 H1 G 213 10.135 27.787 12.705 581 1H2 G 213 1H2 G 213 8.487 28.903 13.247 582 2H2 G 213 2H2 G 213 6.936 28.232 13.700 583 1H5* G 214 1H5* G 214 4.878 24.619 9.985 584 2H5* G 214 2H5* G 214 4.583 24.062 8.339 585 H4* G 214 H4* G 214 6.496 25.637 8.576 586 H3* G 214 H3* G 214 6.866 22.912 7.368 587 H2* G 214 H2* G 214 9.134 23.437 6.870 588 2HO* G 214 2HO* G 214 9.329 25.556 6.451 589 H1* G 214 H1* G 214 9.670 24.357 9.453 590 H8 G 214 H8 G 214 7.428 21.491 9.929 591 H1 G 214 H1 G 214 13.458 19.665 8.450 592 1H2 G 214 1H2 G 214 14.530 21.298 7.790 593 2H2 G 214 2H2 G 214 13.890 22.921 7.656 594 1H5* G 215 1H5* G 215 8.141 25.499 3.028 595 2H5* G 215 2H5* G 215 6.717 24.615 2.483 596 H4* G 215 H4* G 215 8.774 24.307 1.088 597 H3* G 215 H3* G 215 7.294 21.971 2.267 598 H2* G 215 H2* G 215 8.738 20.476 1.103 599 2HO* G 215 2HO* G 215 10.375 21.645 -0.308 600 H1* G 215 H1* G 215 11.057 21.764 1.972 601 H8 G 215 H8 G 215 8.598 21.842 4.752 602 H1 G 215 H1 G 215 11.661 16.165 4.236 603 1H2 G 215 1H2 G 215 12.705 16.105 2.458 604 2H2 G 215 2H2 G 215 12.745 17.400 1.283 605 1H5* C 216 1H5* C 216 5.306 21.972 -1.998 606 2H5* C 216 2H5* C 216 3.942 20.880 -1.758 607 H4* C 216 H4* C 216 6.026 19.965 -2.921 608 H3* C 216 H3* C 216 4.627 18.578 -0.643 609 H2* C 216 H2* C 216 6.071 16.714 -0.924 610 2HO* C 216 2HO* C 216 6.656 16.449 -2.996 611 H1* C 216 H1* C 216 8.381 18.307 -1.067 612 1H4 C 216 1H4 C 216 8.015 16.415 5.030 613 2H4 C 216 2H4 C 216 6.979 17.784 5.365 614 H5 C 216 H5 C 216 6.162 19.253 3.707 615 H6 C 216 H6 C 216 6.138 19.775 1.293 616 1H5* U 217 1H5* U 217 3.702 15.370 -3.864 617 2H5* U 217 2H5* U 217 2.158 14.814 -3.217 618 H4* U 217 H4* U 217 3.992 13.096 -3.326 619 H3* U 217 H3* U 217 2.512 13.687 -0.772 620 H2* U 217 H2* U 217 3.638 11.862 0.267 621 2HO* U 217 2HO* U 217 5.082 10.620 -1.241 622 H1* U 217 H1* U 217 6.155 12.708 -0.641 623 H3 U 217 H3 U 217 6.351 13.531 3.813 624 H5 U 217 H5 U 217 3.906 16.591 2.330 625 H6 U 217 H6 U 217 3.956 15.446 0.163 626 1H5* G 218 1H5* G 218 -0.264 9.459 -1.934 627 2H5* G 218 2H5* G 218 -0.404 8.959 -0.249 628 H4* G 218 H4* G 218 0.930 7.261 -0.767 629 H3* G 218 H3* G 218 2.934 9.501 -0.823 630 H2* G 218 H2* G 218 4.592 8.032 -1.621 631 2HO* G 218 2HO* G 218 4.396 6.070 -0.718 632 H1* G 218 H1* G 218 2.698 6.714 -3.363 633 H8 G 218 H8 G 218 2.863 10.438 -3.684 634 H1 G 218 H1 G 218 7.236 7.322 -7.296 635 1H2 G 218 1H2 G 218 7.264 5.326 -6.776 636 2H2 G 218 2H2 G 218 6.252 4.605 -5.546 637 1H5* C 219 1H5* C 219 4.254 6.701 1.986 638 2H5* C 219 2H5* C 219 3.792 5.366 3.041 639 H4* C 219 H4* C 219 5.038 6.561 4.510 640 H3* C 219 H3* C 219 2.239 7.593 4.745 641 H2* C 219 H2* C 219 2.892 9.288 6.238 642 2HO* C 219 2HO* C 219 5.280 9.058 6.921 643 H1* C 219 H1* C 219 5.205 10.011 4.812 644 1H4 C 219 1H4 C 219 0.387 13.986 3.198 645 2H4 C 219 2H4 C 219 0.402 13.184 1.642 646 H5 C 219 H5 C 219 1.677 11.253 1.169 647 H6 C 219 H6 C 219 3.268 9.600 2.082 648 1H5* G 220 1H5* G 220 5.229 3.559 6.484 649 2H5* G 220 2H5* G 220 5.319 5.295 6.184 650 H4* G 220 H4* G 220 6.736 3.117 4.911 651 H3* G 220 H3* G 220 7.017 6.128 4.956 652 H2* G 220 H2* G 220 8.592 5.961 3.245 653 2HO* G 220 2HO* G 220 9.161 3.403 3.020 654 H1* G 220 H1* G 220 7.199 3.576 2.200 655 H8 G 220 H8 G 220 6.660 4.129 -0.196 656 H1 G 220 H1 G 220 6.725 10.502 0.926 657 1H2 G 220 1H2 G 220 6.994 10.843 2.942 658 2H2 G 220 2H2 G 220 7.173 9.591 4.149 659 1H5* G 221 1H5* G 221 10.505 5.228 5.841 660 2H5* G 221 2H5* G 221 11.565 6.394 6.631 661 H4* G 221 H4* G 221 11.009 6.345 3.973 662 H3* G 221 H3* G 221 11.907 8.616 5.747 663 H2* G 221 H2* G 221 11.986 10.012 3.831 664 2HO* G 221 2HO* G 221 11.966 8.987 1.785 665 H1* G 221 H1* G 221 9.484 9.106 2.879 666 H8 G 221 H8 G 221 9.235 9.605 6.534 667 H1 G 221 H1 G 221 8.817 15.144 3.213 668 1H2 G 221 1H2 G 221 9.356 14.813 1.251 669 2H2 G 221 2H2 G 221 9.848 13.265 0.602 670 1H5* C 222 1H5* C 222 15.693 7.975 3.581 671 2H5* C 222 2H5* C 222 16.938 8.888 4.433 672 H4* C 222 H4* C 222 15.782 9.949 2.388 673 H3* C 222 H3* C 222 16.214 11.393 5.009 674 H2* C 222 H2* C 222 15.493 13.375 3.961 675 2HO* C 222 2HO* C 222 15.441 11.918 1.493 676 H1* C 222 H1* C 222 13.445 11.964 2.500 677 1H4 C 222 1H4 C 222 10.413 15.438 6.942 678 2H4 C 222 2H4 C 222 10.658 14.129 8.077 679 H5 C 222 H5 C 222 11.951 12.210 7.612 680 H6 C 222 H6 C 222 13.344 11.061 5.927 681 1H5* U 223 1H5* U 223 16.955 14.489 2.661 682 2H5* U 223 2H5* U 223 18.635 14.905 2.999 683 H4* U 223 H4* U 223 17.340 16.847 3.394 684 H3* U 223 H3* U 223 18.286 15.508 5.914 685 H2* U 223 H2* U 223 17.264 17.150 7.221 686 2HO* U 223 2HO* U 223 16.984 18.574 4.732 687 H1* U 223 H1* U 223 15.076 17.402 5.291 688 H3 U 223 H3 U 223 12.938 17.018 9.298 689 H5 U 223 H5 U 223 14.424 13.180 8.527 690 H6 U 223 H6 U 223 15.641 14.140 6.626 691 1H5* U 224 1H5* U 224 20.522 18.263 2.152 692 2H5* U 224 2H5* U 224 18.978 17.885 2.915 693 H4* U 224 H4* U 224 19.880 16.299 0.535 694 H3* U 224 H3* U 224 19.118 19.162 0.460 695 H2* U 224 H2* U 224 17.483 18.865 -1.221 696 2HO* U 224 2HO* U 224 17.408 16.511 -2.032 697 H1* U 224 H1* U 224 16.208 16.735 -0.023 698 H3 U 224 H3 U 224 13.228 19.769 1.356 699 H5 U 224 H5 U 224 16.765 21.107 3.155 700 H6 U 224 H6 U 224 17.927 19.285 1.995 701 1H5* A 225 1H5* A 225 20.419 18.057 -3.618 702 2H5* A 225 2H5* A 225 20.766 19.472 -4.611 703 H4* A 225 H4* A 225 18.731 18.155 -5.264 704 H3* A 225 H3* A 225 18.539 21.106 -4.658 705 H2* A 225 H2* A 225 16.305 21.071 -5.443 706 2HO* A 225 2HO* A 225 16.077 18.442 -6.105 707 H1* A 225 H1* A 225 15.733 18.648 -4.057 708 H8 A 225 H8 A 225 17.551 20.984 -1.832 709 1H6 A 225 1H6 A 225 12.048 23.624 -0.526 710 2H6 A 225 2H6 A 225 13.734 23.557 -0.063 711 H2 A 225 H2 A 225 11.479 20.841 -3.942 712 1H5* G 226 1H5* G 226 17.532 19.864 -8.383 713 2H5* G 226 2H5* G 226 17.808 20.771 -9.870 714 H4* G 226 H4* G 226 15.511 20.174 -9.807 715 H3* G 226 H3* G 226 16.023 23.087 -9.265 716 H2* G 226 H2* G 226 13.674 23.481 -9.250 717 2HO* G 226 2HO* G 226 12.433 22.002 -10.308 718 H1* G 226 H1* G 226 13.173 21.351 -7.498 719 H8 G 226 H8 G 226 16.282 22.880 -6.287 720 H1 G 226 H1 G 226 11.067 26.393 -4.755 721 1H2 G 226 1H2 G 226 9.438 25.707 -5.817 722 2H2 G 226 2H2 G 226 9.479 24.379 -6.955 723 1H5* G 227 1H5* G 227 16.022 22.336 -14.631 724 2H5* G 227 2H5* G 227 17.731 22.713 -14.414 725 H4* G 227 H4* G 227 16.888 23.958 -16.278 726 H3* G 227 H3* G 227 17.577 25.567 -13.840 727 H2* G 227 H2* G 227 17.073 27.582 -15.009 728 2HO* G 227 2HO* G 227 16.269 26.990 -17.354 729 H1* G 227 H1* G 227 14.591 26.650 -15.886 730 H8 G 227 H8 G 227 15.720 25.634 -12.398 731 H1 G 227 H1 G 227 12.138 31.018 -12.639 732 1H2 G 227 1H2 G 227 11.806 31.537 -14.608 733 2H2 G 227 2H2 G 227 12.409 30.647 -15.987 734 1H5* A 228 1H5* A 228 19.599 27.584 -17.445 735 2H5* A 228 2H5* A 228 20.984 28.383 -16.701 736 H4* A 228 H4* A 228 19.352 29.876 -17.907 737 H3* A 228 H3* A 228 20.180 30.368 -15.056 738 H2* A 228 H2* A 228 18.956 32.404 -15.064 739 2HO* A 228 2HO* A 228 17.929 32.846 -17.287 740 H1* A 228 H1* A 228 16.666 31.237 -16.174 741 H8 A 228 H8 A 228 18.147 28.819 -13.784 742 1H6 A 228 1H6 A 228 15.110 31.845 -9.249 743 2H6 A 228 2H6 A 228 16.036 30.407 -9.620 744 H2 A 228 H2 A 228 14.814 34.256 -12.969 745 1H5* G 229 1H5* G 229 21.192 34.154 -17.414 746 2H5* G 229 2H5* G 229 22.716 34.677 -16.696 747 H4* G 229 H4* G 229 20.984 36.441 -16.744 748 H3* G 229 H3* G 229 22.172 35.552 -14.134 749 H2* G 229 H2* G 229 20.928 37.230 -12.985 750 2HO* G 229 2HO* G 229 19.511 38.152 -15.163 751 H1* G 229 H1* G 229 18.515 36.506 -14.193 752 H8 G 229 H8 G 229 20.279 33.335 -13.615 753 H1 G 229 H1 G 229 17.720 35.748 -8.184 754 1H2 G 229 1H2 G 229 17.127 37.696 -8.507 755 2H2 G 229 2H2 G 229 17.299 38.549 -10.025 756 1H5* G 230 1H5* G 230 22.915 40.242 -14.243 757 2H5* G 230 2H5* G 230 24.505 40.233 -13.481 758 H4* G 230 H4* G 230 22.851 41.732 -12.388 759 H3* G 230 H3* G 230 24.206 39.540 -10.845 760 H2* G 230 H2* G 230 23.158 40.297 -8.844 761 2HO* G 230 2HO* G 230 21.688 42.280 -9.326 762 H1* G 230 H1* G 230 20.617 40.363 -9.994 763 H8 G 230 H8 G 230 22.252 37.420 -11.471 764 H1 G 230 H1 G 230 20.298 36.360 -5.393 765 1H2 G 230 1H2 G 230 19.785 38.153 -4.513 766 2H2 G 230 2H2 G 230 19.870 39.711 -5.303 767 1H5* G 231 1H5* G 231 24.633 43.219 -8.403 768 2H5* G 231 2H5* G 231 26.369 43.298 -8.104 769 H4* G 231 H4* G 231 25.255 43.588 -6.023 770 H3* G 231 H3* G 231 26.633 40.944 -6.348 771 H2* G 231 H2* G 231 26.044 40.342 -4.119 772 2HO* G 231 2HO* G 231 24.635 42.799 -3.844 773 H1* G 231 H1* G 231 23.355 41.000 -4.469 774 H8 G 231 H8 G 231 24.591 39.527 -7.645 775 H1 G 231 H1 G 231 23.155 35.076 -3.171 776 1H2 G 231 1H2 G 231 22.847 36.001 -1.354 777 2H2 G 231 2H2 G 231 22.961 37.724 -1.083 778 1H5* C 232 1H5* C 232 27.582 42.490 -2.692 779 2H5* C 232 2H5* C 232 29.304 42.483 -2.311 780 H4* C 232 H4* C 232 28.212 41.440 -0.499 781 H3* C 232 H3* C 232 29.617 39.483 -2.296 782 H2* C 232 H2* C 232 29.050 37.714 -0.815 783 2HO* C 232 2HO* C 232 27.634 38.857 1.088 784 H1* C 232 H1* C 232 26.363 38.508 -0.624 785 1H4 C 232 1H4 C 232 26.353 34.021 -5.163 786 2H4 C 232 2H4 C 232 26.913 35.204 -6.325 787 H5 C 232 H5 C 232 27.506 37.420 -5.763 788 H6 C 232 H6 C 232 27.709 39.064 -3.931 789 1H5* A 233 1H5* A 233 30.888 38.962 1.743 790 2H5* A 233 2H5* A 233 32.603 38.582 1.888 791 H4* A 233 H4* A 233 31.307 36.905 3.022 792 H3* A 233 H3* A 233 32.717 36.009 0.522 793 H2* A 233 H2* A 233 32.017 33.773 0.935 794 2HO* A 233 2HO* A 233 30.872 33.455 3.026 795 H1* A 233 H1* A 233 29.355 34.498 1.385 796 H8 A 233 H8 A 233 30.715 36.620 -1.348 797 1H6 A 233 1H6 A 233 29.308 31.976 -5.273 798 2H6 A 233 2H6 A 233 29.823 33.645 -5.178 799 H2 A 233 H2 A 233 28.818 30.481 -1.118 800 1H5* G 234 1H5* G 234 33.770 33.269 3.530 801 2H5* G 234 2H5* G 234 35.522 33.263 3.730 802 H4* G 234 H4* G 234 34.956 31.010 3.623 803 H3* G 234 H3* G 234 35.982 31.977 0.973 804 H2* G 234 H2* G 234 35.787 29.777 0.081 805 2HO* G 234 2HO* G 234 34.638 28.587 2.274 806 H1* G 234 H1* G 234 33.162 29.459 0.970 807 H8 G 234 H8 G 234 33.665 32.994 -0.094 808 H1 G 234 H1 G 234 32.501 28.971 -5.028 809 1H2 G 234 1H2 G 234 32.598 27.021 -4.364 810 2H2 G 234 2H2 G 234 32.943 26.547 -2.716 811 1H GLY 15 1H GLY 15 7.304 -2.450 0.752 812 1HA GLY 15 1HA GLY 15 8.762 -3.722 -0.790 813 2HA GLY 15 2HA GLY 15 7.713 -3.167 -2.087 814 H ARG 16 H ARG 16 7.589 -0.489 -0.617 815 HA ARG 16 HA ARG 16 8.623 1.534 -0.738 816 1HB ARG 16 2HB ARG 16 10.311 0.248 0.675 817 2HB ARG 16 3HB ARG 16 11.244 0.048 -0.802 818 1HG ARG 16 2HG ARG 16 11.744 2.304 -0.946 819 2HG ARG 16 3HG ARG 16 10.396 2.770 0.092 820 1HD ARG 16 2HD ARG 16 12.242 3.045 1.473 821 2HD ARG 16 3HD ARG 16 11.638 1.450 1.923 822 HE ARG 16 HE ARG 16 13.640 1.354 -0.124 823 1HH1 ARG 16 2HH1 ARG 16 13.096 1.544 3.309 824 2HH1 ARG 16 1HH1 ARG 16 14.628 0.847 3.723 825 1HH2 ARG 16 2HH2 ARG 16 15.660 0.436 0.407 826 2HH2 ARG 16 1HH2 ARG 16 16.085 0.218 2.071 827 H ALA 17 H ALA 17 8.103 2.360 -2.684 828 HA ALA 17 HA ALA 17 9.510 1.440 -5.073 829 1HB ALA 17 1HB ALA 17 7.044 3.064 -4.601 830 2HB ALA 17 2HB ALA 17 7.861 3.119 -6.163 831 3HB ALA 17 3HB ALA 17 7.250 1.586 -5.542 832 H ARG 18 H ARG 18 10.661 3.187 -2.869 833 HA ARG 18 HA ARG 18 11.009 5.811 -3.631 834 1HB ARG 18 2HB ARG 18 11.855 4.791 -1.525 835 2HB ARG 18 3HB ARG 18 13.139 4.023 -2.448 836 1HG ARG 18 2HG ARG 18 14.045 5.959 -1.415 837 2HG ARG 18 3HG ARG 18 13.896 6.298 -3.141 838 1HD ARG 18 2HD ARG 18 11.466 7.097 -2.044 839 2HD ARG 18 3HD ARG 18 12.680 7.632 -0.882 840 HE ARG 18 HE ARG 18 13.333 8.289 -3.599 841 1HH1 ARG 18 2HH1 ARG 18 11.578 9.289 -0.763 842 2HH1 ARG 18 1HH1 ARG 18 11.582 10.968 -1.194 843 1HH2 ARG 18 2HH2 ARG 18 13.345 10.495 -4.176 844 2HH2 ARG 18 1HH2 ARG 18 12.586 11.653 -3.135 845 H GLY 19 H GLY 19 12.157 6.884 -5.145 846 1HA GLY 19 1HA GLY 19 13.958 7.160 -6.673 847 2HA GLY 19 2HA GLY 19 14.138 5.413 -6.731 848 H LEU 20 H LEU 20 11.120 5.221 -7.019 849 HA LEU 20 HA LEU 20 11.072 5.756 -9.911 850 1HB LEU 20 2HB LEU 20 10.173 3.536 -8.241 851 2HB LEU 20 3HB LEU 20 8.962 4.076 -9.403 852 HG LEU 20 HG LEU 20 11.563 3.748 -10.640 853 1HD1 LEU 20 1HD1 LEU 20 11.499 1.243 -10.522 854 2HD1 LEU 20 2HD1 LEU 20 10.368 1.404 -9.178 855 3HD1 LEU 20 3HD1 LEU 20 12.002 2.051 -9.036 856 1HD2 LEU 20 1HD2 LEU 20 9.946 2.023 -11.885 857 2HD2 LEU 20 2HD2 LEU 20 9.904 3.760 -12.182 858 3HD2 LEU 20 3HD2 LEU 20 8.730 3.024 -11.090 859 H CYS 21 H CYS 21 9.706 7.323 -10.698 860 HA CYS 21 HA CYS 21 8.016 8.663 -8.862 861 1HB CYS 21 2HB CYS 21 9.229 9.773 -10.754 862 2HB CYS 21 3HB CYS 21 8.150 8.971 -11.879 863 H TYR 22 H TYR 22 5.742 8.735 -8.949 864 HA TYR 22 HA TYR 22 4.464 6.423 -10.255 865 1HB TYR 22 2HB TYR 22 4.174 5.967 -8.008 866 2HB TYR 22 3HB TYR 22 4.083 7.667 -7.565 867 HD1 TYR 22 HD1 TYR 22 2.168 5.167 -9.583 868 HD2 TYR 22 HD2 TYR 22 2.026 8.494 -6.935 869 HE1 TYR 22 HE1 TYR 22 -0.287 5.017 -9.536 870 HE2 TYR 22 HE2 TYR 22 -0.429 8.352 -6.879 871 HH TYR 22 HH TYR 22 -2.236 7.361 -7.720 872 H THR 23 H THR 23 4.469 9.838 -9.843 873 HA THR 23 HA THR 23 1.806 10.394 -10.631 874 HB THR 23 HB THR 23 4.239 12.161 -10.952 875 HG1 THR 23 HG1 THR 23 2.508 11.641 -8.772 876 1HG2 THR 23 1HG2 THR 23 2.310 12.926 -12.245 877 2HG2 THR 23 2HG2 THR 23 2.614 13.998 -10.878 878 3HG2 THR 23 3HG2 THR 23 1.297 12.829 -10.805 879 H CYS 24 H CYS 24 4.907 10.132 -12.483 880 HA CYS 24 HA CYS 24 3.264 10.301 -14.902 881 1HB CYS 24 2HB CYS 24 5.254 11.025 -16.094 882 2HB CYS 24 3HB CYS 24 4.962 12.080 -14.726 883 H GLY 25 H GLY 25 5.730 8.590 -13.077 884 1HA GLY 25 1HA GLY 25 5.866 6.204 -13.052 885 2HA GLY 25 2HA GLY 25 5.232 6.185 -14.692 886 H SER 26 H SER 26 7.827 8.271 -13.560 887 HA SER 26 HA SER 26 9.620 6.933 -15.465 888 1HB SER 26 2HB SER 26 9.501 9.744 -14.395 889 2HB SER 26 3HB SER 26 10.973 9.116 -15.138 890 HG SER 26 HG SER 26 9.498 8.532 -16.949 891 HA PRO 27 HA PRO 27 11.672 5.344 -11.823 892 1HB PRO 27 2HB PRO 27 13.495 3.867 -13.188 893 2HB PRO 27 3HB PRO 27 11.821 3.350 -12.954 894 1HG PRO 27 2HG PRO 27 13.087 4.646 -15.337 895 2HG PRO 27 3HG PRO 27 11.941 3.294 -15.275 896 1HD PRO 27 2HD PRO 27 11.179 5.825 -15.863 897 2HD PRO 27 3HD PRO 27 10.123 4.684 -15.006 898 H GLY 28 H GLY 28 12.651 7.211 -11.026 899 1HA GLY 28 1HA GLY 28 15.377 7.426 -11.038 900 2HA GLY 28 2HA GLY 28 14.864 8.453 -12.368 901 H HIS 29 H HIS 29 12.397 9.292 -11.111 902 HA HIS 29 HA HIS 29 13.416 10.854 -8.836 903 1HB HIS 29 2HB HIS 29 12.313 12.853 -9.678 904 2HB HIS 29 3HB HIS 29 13.446 12.246 -10.882 905 HD1 HIS 29 HD1 HIS 29 12.525 11.730 -13.157 906 HD2 HIS 29 HD2 HIS 29 9.542 12.312 -10.323 907 HE1 HIS 29 HE1 HIS 29 10.368 11.772 -14.450 908 H TYR 30 H TYR 30 11.262 12.243 -8.091 909 HA TYR 30 HA TYR 30 9.093 10.279 -7.787 910 1HB TYR 30 2HB TYR 30 10.851 11.233 -5.747 911 2HB TYR 30 3HB TYR 30 9.236 11.851 -5.423 912 HD1 TYR 30 HD1 TYR 30 10.825 8.635 -6.494 913 HD2 TYR 30 HD2 TYR 30 7.895 10.552 -4.078 914 HE1 TYR 30 HE1 TYR 30 10.186 6.455 -5.547 915 HE2 TYR 30 HE2 TYR 30 7.250 8.380 -3.124 916 HH TYR 30 HH TYR 30 7.544 6.179 -3.193 917 H GLN 31 H GLN 31 7.172 11.484 -6.593 918 HA GLN 31 HA GLN 31 6.060 13.273 -8.369 919 1HB GLN 31 2HB GLN 31 4.725 12.075 -6.730 920 2HB GLN 31 3HB GLN 31 5.488 12.962 -5.418 921 1HG GLN 31 2HG GLN 31 4.204 14.779 -5.715 922 2HG GLN 31 3HG GLN 31 4.197 14.620 -7.471 923 1HE2 GLN 31 1HE2 GLN 31 3.200 12.346 -4.954 924 2HE2 GLN 31 2HE2 GLN 31 1.561 12.205 -5.484 925 H ALA 32 H ALA 32 7.860 13.966 -5.399 926 HA ALA 32 HA ALA 32 7.514 16.739 -5.353 927 1HB ALA 32 1HB ALA 32 9.226 16.812 -3.769 928 2HB ALA 32 2HB ALA 32 8.540 15.198 -3.580 929 3HB ALA 32 3HB ALA 32 10.053 15.415 -4.460 930 H GLN 33 H GLN 33 9.513 14.737 -7.352 931 HA GLN 33 HA GLN 33 10.704 17.156 -8.541 932 1HB GLN 33 2HB GLN 33 11.926 14.393 -8.458 933 2HB GLN 33 3HB GLN 33 12.661 15.838 -9.139 934 1HG GLN 33 2HG GLN 33 12.999 16.800 -7.037 935 2HG GLN 33 3HG GLN 33 11.871 15.696 -6.254 936 1HE2 GLN 33 1HE2 GLN 33 15.061 16.374 -6.764 937 2HE2 GLN 33 2HE2 GLN 33 15.744 14.836 -6.374 938 H CYS 34 H CYS 34 8.111 15.707 -9.200 939 HA CYS 34 HA CYS 34 8.703 14.383 -11.667 940 1HB CYS 34 2HB CYS 34 6.803 13.737 -10.159 941 2HB CYS 34 3HB CYS 34 6.005 15.241 -10.572 942 HA PRO 35 HA PRO 35 8.876 18.231 -13.923 943 1HB PRO 35 2HB PRO 35 9.009 17.108 -16.391 944 2HB PRO 35 3HB PRO 35 10.385 17.157 -15.283 945 1HG PRO 35 2HG PRO 35 8.482 14.915 -15.844 946 2HG PRO 35 3HG PRO 35 10.245 14.866 -15.656 947 1HD PRO 35 2HD PRO 35 8.548 14.154 -13.670 948 2HD PRO 35 3HD PRO 35 10.127 14.902 -13.354 949 H LYS 36 H LYS 36 6.400 15.881 -14.034 950 HA LYS 36 HA LYS 36 4.759 17.475 -15.865 951 1HB LYS 36 2HB LYS 36 4.967 14.678 -15.270 952 2HB LYS 36 3HB LYS 36 3.327 15.216 -14.932 953 1HG LYS 36 2HG LYS 36 3.070 14.710 -17.119 954 2HG LYS 36 3HG LYS 36 3.640 16.370 -17.308 955 1HD LYS 36 2HD LYS 36 5.821 14.457 -17.106 956 2HD LYS 36 3HD LYS 36 4.746 14.113 -18.464 957 1HE LYS 36 2HE LYS 36 4.963 16.658 -18.937 958 2HE LYS 36 3HE LYS 36 6.396 16.551 -17.917 959 1HZ LYS 36 1HZ LYS 36 6.779 16.265 -20.362 960 2HZ LYS 36 2HZ LYS 36 5.953 14.794 -20.262 961 3HZ LYS 36 3HZ LYS 36 7.387 15.019 -19.393 962 H LYS 37 H LYS 37 5.446 17.479 -12.686 963 HA LYS 37 HA LYS 37 2.797 17.685 -11.585 964 1HB LYS 37 2HB LYS 37 5.403 17.367 -10.563 965 2HB LYS 37 3HB LYS 37 4.819 18.900 -9.930 966 1HG LYS 37 2HG LYS 37 3.040 16.521 -9.777 967 2HG LYS 37 3HG LYS 37 4.393 16.653 -8.653 968 1HD LYS 37 2HD LYS 37 3.578 18.863 -7.954 969 2HD LYS 37 3HD LYS 37 2.210 18.698 -9.058 970 1HE LYS 37 2HE LYS 37 1.385 16.801 -7.823 971 2HE LYS 37 3HE LYS 37 2.815 16.801 -6.792 972 1HZ LYS 37 1HZ LYS 37 2.144 18.761 -5.747 973 2HZ LYS 37 2HZ LYS 37 0.720 17.857 -5.869 974 3HZ LYS 37 3HZ LYS 37 1.005 19.135 -6.941 975 H ARG 38 H ARG 38 1.649 19.329 -12.486 976 HA ARG 38 HA ARG 38 2.184 21.976 -11.609 977 1HB ARG 38 2HB ARG 38 3.687 21.488 -13.740 978 2HB ARG 38 3HB ARG 38 2.188 21.838 -14.589 979 1HG ARG 38 2HG ARG 38 2.418 24.022 -14.275 980 2HG ARG 38 3HG ARG 38 2.747 23.814 -12.554 981 1HD ARG 38 2HD ARG 38 4.900 23.048 -14.435 982 2HD ARG 38 3HD ARG 38 4.551 24.770 -14.283 983 HE ARG 38 HE ARG 38 4.768 23.671 -11.716 984 1HH1 ARG 38 2HH1 ARG 38 6.751 24.366 -14.492 985 2HH1 ARG 38 1HH1 ARG 38 8.198 24.588 -13.566 986 1HH2 ARG 38 2HH2 ARG 38 6.667 23.961 -10.486 987 2HH2 ARG 38 1HH2 ARG 38 8.150 24.356 -11.287 988 H LYS 39 H LYS 39 0.493 23.482 -12.223 989 HA LYS 39 HA LYS 39 -1.752 22.676 -13.760 990 1HB LYS 39 2HB LYS 39 -2.123 21.210 -11.820 991 2HB LYS 39 3HB LYS 39 -2.088 22.610 -10.755 992 1HG LYS 39 2HG LYS 39 -4.150 23.359 -11.444 993 2HG LYS 39 3HG LYS 39 -4.055 22.519 -12.994 994 1HD LYS 39 2HD LYS 39 -5.680 21.441 -11.541 995 2HD LYS 39 3HD LYS 39 -4.307 20.370 -11.830 996 1HE LYS 39 2HE LYS 39 -3.611 20.462 -9.673 997 2HE LYS 39 3HE LYS 39 -4.132 22.132 -9.463 998 1HZ LYS 39 1HZ LYS 39 -5.376 20.148 -8.304 999 2HZ LYS 39 2HZ LYS 39 -6.198 20.086 -9.781 1000 3HZ LYS 39 3HZ LYS 39 -6.217 21.506 -8.862 1001 H SER 40 H SER 40 -1.069 24.582 -10.820 1002 HA SER 40 HA SER 40 -1.331 26.791 -10.346 1003 1HB SER 40 2HB SER 40 -0.142 26.769 -12.779 1004 2HB SER 40 3HB SER 40 -1.628 27.636 -13.168 1005 HG SER 40 HG SER 40 -0.817 29.307 -12.210 1006 H GLY 41 H GLY 41 -3.621 25.234 -10.300 1007 1HA GLY 41 1HA GLY 41 -5.729 26.670 -11.694 1008 2HA GLY 41 2HA GLY 41 -5.931 25.264 -10.659 1009 H ASN 42 H ASN 42 -6.866 25.602 -8.760 1010 HA ASN 42 HA ASN 42 -6.579 28.234 -7.489 1011 1HB ASN 42 2HB ASN 42 -9.106 26.808 -8.220 1012 2HB ASN 42 3HB ASN 42 -9.073 27.790 -6.758 1013 1HD2 ASN 42 1HD2 ASN 42 -8.766 27.809 -10.231 1014 2HD2 ASN 42 2HD2 ASN 42 -9.019 29.505 -10.440 1015 H SER 43 H SER 43 -6.973 28.236 -5.189 1016 HA SER 43 HA SER 43 -6.713 27.426 -3.080 1017 1HB SER 43 2HB SER 43 -7.649 24.749 -4.114 1018 2HB SER 43 3HB SER 43 -7.810 25.401 -2.484 1019 HG SER 43 HG SER 43 -9.672 26.105 -3.130 1020 H ARG 44 H ARG 44 -4.387 27.700 -3.764 1021 HA ARG 44 HA ARG 44 -2.990 25.106 -3.705 1022 1HB ARG 44 2HB ARG 44 -2.749 27.113 -5.584 1023 2HB ARG 44 3HB ARG 44 -1.387 27.413 -4.514 1024 1HG ARG 44 2HG ARG 44 -0.255 25.678 -5.312 1025 2HG ARG 44 3HG ARG 44 -1.651 24.606 -5.179 1026 1HD ARG 44 2HD ARG 44 -2.522 25.441 -7.285 1027 2HD ARG 44 3HD ARG 44 -1.185 26.583 -7.407 1028 HE ARG 44 HE ARG 44 0.147 24.885 -8.170 1029 1HH1 ARG 44 2HH1 ARG 44 -2.709 23.527 -6.714 1030 2HH1 ARG 44 1HH1 ARG 44 -2.362 21.911 -7.230 1031 1HH2 ARG 44 2HH2 ARG 44 0.614 22.761 -8.857 1032 2HH2 ARG 44 1HH2 ARG 44 -0.472 21.476 -8.449 1033 H GLU 45 H GLU 45 -0.659 25.425 -2.796 1034 HA GLU 45 HA GLU 45 -0.944 26.841 -0.235 1035 1HB GLU 45 2HB GLU 45 0.816 24.504 -0.996 1036 2HB GLU 45 3HB GLU 45 0.835 25.297 0.573 1037 1HG GLU 45 2HG GLU 45 -1.473 24.648 0.953 1038 2HG GLU 45 3HG GLU 45 -1.537 23.896 -0.639 1039 H ARG 46 H ARG 46 1.152 26.378 -3.012 1040 HA ARG 46 HA ARG 46 3.075 28.307 -1.937 1041 1HB ARG 46 2HB ARG 46 3.654 26.026 -3.097 1042 2HB ARG 46 3HB ARG 46 3.400 26.936 -4.579 1043 1HG ARG 46 2HG ARG 46 5.202 28.349 -4.168 1044 2HG ARG 46 3HG ARG 46 5.246 27.947 -2.451 1045 1HD ARG 46 2HD ARG 46 5.904 25.622 -3.098 1046 2HD ARG 46 3HD ARG 46 6.037 26.184 -4.763 1047 HE ARG 46 HE ARG 46 7.912 26.614 -2.646 1048 1HH1 ARG 46 2HH1 ARG 46 6.647 27.926 -5.611 1049 2HH1 ARG 46 1HH1 ARG 46 8.082 28.824 -5.980 1050 1HH2 ARG 46 2HH2 ARG 46 9.807 27.791 -3.118 1051 2HH2 ARG 46 1HH2 ARG 46 9.880 28.745 -4.560 1052 H CYS 47 H CYS 47 4.058 29.868 -3.742 1053 HA CYS 47 HA CYS 47 1.777 30.888 -5.274 1054 1HB CYS 47 2HB CYS 47 2.179 32.323 -3.317 1055 2HB CYS 47 3HB CYS 47 3.854 32.530 -3.787 1056 H GLN 48 H GLN 48 2.243 30.721 -7.360 1057 HA GLN 48 HA GLN 48 5.010 30.475 -8.256 1058 1HB GLN 48 2HB GLN 48 2.646 29.207 -9.001 1059 2HB GLN 48 3HB GLN 48 2.989 30.298 -10.337 1060 1HG GLN 48 2HG GLN 48 3.990 28.209 -10.840 1061 2HG GLN 48 3HG GLN 48 5.285 29.335 -10.437 1062 1HE2 GLN 48 1HE2 GLN 48 6.210 27.006 -10.288 1063 2HE2 GLN 48 2HE2 GLN 48 6.238 26.336 -8.696 1064 H LEU 49 H LEU 49 3.938 33.050 -7.395 1065 HA LEU 49 HA LEU 49 4.316 34.530 -9.912 1066 1HB LEU 49 2HB LEU 49 2.034 34.529 -8.269 1067 2HB LEU 49 3HB LEU 49 2.844 36.069 -7.988 1068 HG LEU 49 HG LEU 49 2.470 35.284 -10.813 1069 1HD1 LEU 49 1HD1 LEU 49 0.342 34.573 -9.988 1070 2HD1 LEU 49 2HD1 LEU 49 0.130 36.138 -10.771 1071 3HD1 LEU 49 3HD1 LEU 49 0.175 36.033 -9.011 1072 1HD2 LEU 49 1HD2 LEU 49 2.568 37.512 -11.169 1073 2HD2 LEU 49 2HD2 LEU 49 3.346 37.503 -9.585 1074 3HD2 LEU 49 3HD2 LEU 49 1.631 37.896 -9.724 1075 H CYS 50 H CYS 50 4.809 34.400 -6.357 1076 HA CYS 50 HA CYS 50 6.969 36.327 -6.774 1077 1HB CYS 50 2HB CYS 50 6.451 37.560 -4.840 1078 2HB CYS 50 3HB CYS 50 4.917 37.366 -5.666 1079 H ASN 51 H ASN 51 6.417 33.312 -6.480 1080 HA ASN 51 HA ASN 51 7.425 31.480 -5.586 1081 1HB ASN 51 2HB ASN 51 9.569 33.310 -4.519 1082 2HB ASN 51 3HB ASN 51 9.722 31.633 -5.038 1083 1HD2 ASN 51 1HD2 ASN 51 8.733 31.458 -7.434 1084 2HD2 ASN 51 2HD2 ASN 51 9.481 32.551 -8.545 1085 H GLY 52 H GLY 52 5.669 33.325 -3.921 1086 1HA GLY 52 1HA GLY 52 6.541 33.230 -1.236 1087 2HA GLY 52 2HA GLY 52 4.878 33.434 -1.768 1088 H MET 53 H MET 53 5.740 31.937 0.505 1089 HA MET 53 HA MET 53 4.890 29.241 -0.326 1090 1HB MET 53 2HB MET 53 7.269 29.310 0.385 1091 2HB MET 53 3HB MET 53 6.757 29.910 1.957 1092 1HG MET 53 2HG MET 53 7.201 27.556 2.098 1093 2HG MET 53 3HG MET 53 5.475 27.843 2.305 1094 1HE MET 53 1HE MET 53 3.795 27.230 1.148 1095 2HE MET 53 2HE MET 53 3.690 26.590 -0.492 1096 3HE MET 53 3HE MET 53 3.988 25.500 0.863 1097 H GLY 54 H GLY 54 2.724 29.540 0.126 1098 1HA GLY 54 1HA GLY 54 1.592 28.842 2.430 1099 2HA GLY 54 2HA GLY 54 1.942 30.534 2.753 1100 H HIS 55 H HIS 55 1.289 31.911 0.635 1101 HA HIS 55 HA HIS 55 -1.582 31.528 0.437 1102 1HB HIS 55 2HB HIS 55 -1.562 33.747 -0.661 1103 2HB HIS 55 3HB HIS 55 -0.764 33.768 0.909 1104 HD1 HIS 55 HD1 HIS 55 1.938 33.705 0.794 1105 HD2 HIS 55 HD2 HIS 55 -0.050 34.694 -2.717 1106 HE1 HIS 55 HE1 HIS 55 3.668 34.789 -0.675 1107 H ASN 56 H ASN 56 -2.304 32.497 -1.948 1108 HA ASN 56 HA ASN 56 -1.067 30.648 -3.883 1109 1HB ASN 56 2HB ASN 56 -3.379 30.016 -3.156 1110 2HB ASN 56 3HB ASN 56 -3.958 31.536 -3.832 1111 1HD2 ASN 56 1HD2 ASN 56 -5.185 30.800 -5.462 1112 2HD2 ASN 56 2HD2 ASN 56 -4.594 29.861 -6.787 1113 H ALA 57 H ALA 57 -0.940 31.323 -6.061 1114 HA ALA 57 HA ALA 57 -0.136 33.945 -6.488 1115 1HB ALA 57 1HB ALA 57 -1.143 32.769 -8.922 1116 2HB ALA 57 2HB ALA 57 0.518 33.130 -8.449 1117 3HB ALA 57 3HB ALA 57 -0.219 31.596 -7.983 1118 H LYS 58 H LYS 58 -3.265 32.422 -7.166 1119 HA LYS 58 HA LYS 58 -4.492 34.583 -8.443 1120 1HB LYS 58 2HB LYS 58 -5.694 32.412 -6.716 1121 2HB LYS 58 3HB LYS 58 -6.636 33.525 -7.700 1122 1HG LYS 58 2HG LYS 58 -4.526 31.715 -8.842 1123 2HG LYS 58 3HG LYS 58 -6.223 31.254 -8.694 1124 1HD LYS 58 2HD LYS 58 -6.899 32.697 -10.331 1125 2HD LYS 58 3HD LYS 58 -5.599 33.846 -10.006 1126 1HE LYS 58 2HE LYS 58 -5.150 32.867 -12.124 1127 2HE LYS 58 3HE LYS 58 -4.006 32.170 -10.979 1128 1HZ LYS 58 1HZ LYS 58 -5.071 30.553 -12.528 1129 2HZ LYS 58 2HZ LYS 58 -6.546 30.848 -11.754 1130 3HZ LYS 58 3HZ LYS 58 -5.258 30.175 -10.888 1131 H GLN 59 H GLN 59 -3.681 34.106 -5.134 1132 HA GLN 59 HA GLN 59 -5.259 36.482 -4.397 1133 1HB GLN 59 2HB GLN 59 -5.589 34.085 -3.278 1134 2HB GLN 59 3HB GLN 59 -4.238 34.638 -2.295 1135 1HG GLN 59 2HG GLN 59 -5.690 36.776 -1.994 1136 2HG GLN 59 3HG GLN 59 -7.011 35.716 -2.481 1137 1HE2 GLN 59 1HE2 GLN 59 -7.890 36.071 -0.377 1138 2HE2 GLN 59 2HE2 GLN 59 -7.291 35.184 0.978 1139 H CYS 60 H CYS 60 -2.342 36.043 -5.506 1140 HA CYS 60 HA CYS 60 -0.799 36.995 -3.277 1141 1HB CYS 60 2HB CYS 60 0.216 35.423 -4.853 1142 2HB CYS 60 3HB CYS 60 -0.050 36.533 -6.183 1143 H ARG 61 H ARG 61 -0.356 39.088 -2.905 1144 HA ARG 61 HA ARG 61 -0.413 41.359 -3.012 1145 1HB ARG 61 2HB ARG 61 0.197 40.489 -5.756 1146 2HB ARG 61 3HB ARG 61 -0.465 42.114 -5.635 1147 1HG ARG 61 2HG ARG 61 1.923 41.127 -4.091 1148 2HG ARG 61 3HG ARG 61 2.004 42.040 -5.599 1149 1HD ARG 61 2HD ARG 61 0.389 43.157 -3.368 1150 2HD ARG 61 3HD ARG 61 2.145 43.220 -3.229 1151 HE ARG 61 HE ARG 61 1.542 44.187 -5.741 1152 1HH1 ARG 61 2HH1 ARG 61 0.808 45.035 -2.445 1153 2HH1 ARG 61 1HH1 ARG 61 0.667 46.729 -2.774 1154 1HH2 ARG 61 2HH2 ARG 61 1.358 46.416 -6.188 1155 2HH2 ARG 61 1HH2 ARG 61 0.979 47.515 -4.904 1156 H LYS 62 H LYS 62 -1.681 43.267 -4.061 1157 HA LYS 62 HA LYS 62 -4.356 42.518 -4.924 1158 1HB LYS 62 2HB LYS 62 -3.774 43.955 -2.338 1159 2HB LYS 62 3HB LYS 62 -5.334 44.059 -3.143 1160 1HG LYS 62 2HG LYS 62 -5.869 42.301 -1.877 1161 2HG LYS 62 3HG LYS 62 -4.952 41.369 -3.062 1162 1HD LYS 62 2HD LYS 62 -3.153 41.113 -1.668 1163 2HD LYS 62 3HD LYS 62 -3.468 42.621 -0.807 1164 1HE LYS 62 2HE LYS 62 -3.895 40.724 0.641 1165 2HE LYS 62 3HE LYS 62 -5.400 41.571 0.289 1166 1HZ LYS 62 1HZ LYS 62 -4.743 39.403 -1.518 1167 2HZ LYS 62 2HZ LYS 62 -6.226 39.819 -0.818 1168 3HZ LYS 62 3HZ LYS 62 -5.091 38.931 0.069 1169 H ARG 63 H ARG 63 -5.682 44.793 -4.922 1170 HA ARG 63 HA ARG 63 -4.464 46.317 -6.962 1171 1HB ARG 63 2HB ARG 63 -6.407 47.864 -6.623 1172 2HB ARG 63 3HB ARG 63 -6.851 46.183 -6.890 1173 1HG ARG 63 2HG ARG 63 -7.263 45.874 -4.533 1174 2HG ARG 63 3HG ARG 63 -6.704 47.514 -4.193 1175 1HD ARG 63 2HD ARG 63 -8.601 48.022 -6.042 1176 2HD ARG 63 3HD ARG 63 -9.269 46.569 -5.299 1177 HE ARG 63 HE ARG 63 -8.421 48.574 -3.414 1178 1HH1 ARG 63 2HH1 ARG 63 -11.031 47.416 -5.407 1179 2HH1 ARG 63 1HH1 ARG 63 -12.267 48.158 -4.447 1180 1HH2 ARG 63 2HH2 ARG 63 -10.040 49.556 -2.143 1181 2HH2 ARG 63 1HH2 ARG 63 -11.702 49.377 -2.590 1182 H ASP 64 H ASP 64 -4.661 46.704 -3.491 1183 HA ASP 64 HA ASP 64 -3.700 48.172 -2.043 1184 1HB ASP 64 2HB ASP 64 -1.594 47.474 -2.885 1185 2HB ASP 64 3HB ASP 64 -1.809 48.375 -4.383 Start of MODEL 5 1 1H5* C 160 1H5* C 160 30.421 26.525 -12.269 2 2H5* C 160 2H5* C 160 28.891 25.688 -12.013 3 H4* C 160 H4* C 160 30.270 24.785 -10.387 4 H3* C 160 H3* C 160 28.584 26.967 -9.194 5 H2* C 160 H2* C 160 29.518 26.532 -7.054 6 2HO* C 160 2HO* C 160 31.244 24.533 -7.969 7 H1* C 160 H1* C 160 32.148 26.538 -7.968 8 1H4 C 160 1H4 C 160 31.036 32.554 -6.111 9 2H4 C 160 2H4 C 160 30.412 32.905 -7.707 10 H5 C 160 H5 C 160 30.104 31.274 -9.386 11 H6 C 160 H6 C 160 30.320 28.880 -9.954 12 1H5* U 161 1H5* U 161 28.257 23.815 -6.749 13 2H5* U 161 2H5* U 161 26.619 23.233 -6.453 14 H4* U 161 H4* U 161 27.549 23.469 -4.328 15 H3* U 161 H3* U 161 25.784 25.807 -4.997 16 H2* U 161 H2* U 161 26.139 26.700 -2.819 17 2HO* U 161 2HO* U 161 26.737 25.258 -1.272 18 H1* U 161 H1* U 161 28.910 26.435 -2.961 19 H3 U 161 H3 U 161 27.941 30.902 -3.302 20 H5 U 161 H5 U 161 27.575 29.402 -7.195 21 H6 U 161 H6 U 161 27.798 27.153 -6.243 22 1H5* G 162 1H5* G 162 24.422 24.153 -1.241 23 2H5* G 162 2H5* G 162 22.661 24.112 -1.187 24 H4* G 162 H4* G 162 23.464 25.267 0.748 25 H3* G 162 H3* G 162 22.090 26.992 -1.294 26 H2* G 162 H2* G 162 22.267 28.861 0.173 27 2HO* G 162 2HO* G 162 23.675 27.811 2.209 28 H1* G 162 H1* G 162 24.989 28.454 0.637 29 H8 G 162 H8 G 162 24.358 27.606 -2.910 30 H1 G 162 H1 G 162 24.729 33.984 -1.879 31 1H2 G 162 1H2 G 162 24.689 34.358 0.148 32 2H2 G 162 2H2 G 162 24.572 33.126 1.385 33 1H5* C 163 1H5* C 163 20.570 27.790 2.269 34 2H5* C 163 2H5* C 163 18.826 27.637 2.475 35 H4* C 163 H4* C 163 19.281 29.738 3.334 36 H3* C 163 H3* C 163 18.329 29.997 0.494 37 H2* C 163 H2* C 163 18.413 32.364 0.685 38 2HO* C 163 2HO* C 163 19.409 32.526 3.233 39 H1* C 163 H1* C 163 20.983 32.377 1.779 40 1H4 C 163 1H4 C 163 21.995 33.092 -4.480 41 2H4 C 163 2H4 C 163 21.774 31.373 -4.710 42 H5 C 163 H5 C 163 21.128 29.888 -2.990 43 H6 C 163 H6 C 163 20.529 29.687 -0.603 44 1H5* C 164 1H5* C 164 16.283 32.643 2.743 45 2H5* C 164 2H5* C 164 14.534 32.650 2.520 46 H4* C 164 H4* C 164 15.210 34.868 2.188 47 H3* C 164 H3* C 164 14.699 33.474 -0.428 48 H2* C 164 H2* C 164 15.063 35.527 -1.574 49 2HO* C 164 2HO* C 164 15.730 37.096 0.557 50 H1* C 164 H1* C 164 17.440 36.064 -0.183 51 1H4 C 164 1H4 C 164 19.359 33.263 -5.591 52 2H4 C 164 2H4 C 164 19.028 31.698 -4.883 53 H5 C 164 H5 C 164 18.021 31.395 -2.768 54 H6 C 164 H6 C 164 17.072 32.533 -0.792 55 1H5* C 165 1H5* C 165 11.923 36.841 -0.153 56 2H5* C 165 2H5* C 165 10.558 36.681 -1.259 57 H4* C 165 H4* C 165 12.113 38.581 -1.745 58 H3* C 165 H3* C 165 11.480 36.500 -3.823 59 H2* C 165 H2* C 165 12.700 37.759 -5.431 60 2HO* C 165 2HO* C 165 12.339 39.854 -4.932 61 H1* C 165 H1* C 165 14.915 38.075 -3.739 62 1H4 C 165 1H4 C 165 16.163 32.980 -7.424 63 2H4 C 165 2H4 C 165 15.504 31.968 -6.159 64 H5 C 165 H5 C 165 14.437 32.804 -4.225 65 H6 C 165 H6 C 165 13.733 34.839 -3.016 66 1H5* U 166 1H5* U 166 10.171 40.209 -5.891 67 2H5* U 166 2H5* U 166 8.540 39.809 -6.429 68 H4* U 166 H4* U 166 9.827 40.605 -8.295 69 H3* U 166 H3* U 166 9.090 37.695 -8.346 70 H2* U 166 H2* U 166 10.068 37.470 -10.500 71 2HO* U 166 2HO* U 166 10.605 39.410 -11.615 72 H1* U 166 H1* U 166 12.436 38.765 -9.760 73 H3 U 166 H3 U 166 13.206 34.252 -10.391 74 H5 U 166 H5 U 166 12.177 34.702 -6.356 75 H6 U 166 H6 U 166 11.540 37.012 -6.879 76 1H5* C 167 1H5* C 167 7.420 39.151 -12.173 77 2H5* C 167 2H5* C 167 5.738 38.620 -12.139 78 H4* C 167 H4* C 167 6.646 37.875 -14.187 79 H3* C 167 H3* C 167 6.318 35.667 -12.174 80 H2* C 167 H2* C 167 7.006 34.080 -13.809 81 2HO* C 167 2HO* C 167 7.483 35.174 -15.993 82 H1* C 167 H1* C 167 9.266 35.553 -14.539 83 1H4 C 167 1H4 C 167 11.305 31.436 -10.088 84 2H4 C 167 2H4 C 167 10.888 32.607 -8.857 85 H5 C 167 H5 C 167 9.765 34.637 -9.297 86 H6 C 167 H6 C 167 8.758 36.060 -11.046 87 1H5* A 168 1H5* A 168 3.186 34.027 -14.106 88 2H5* A 168 2H5* A 168 2.088 34.777 -15.265 89 H4* A 168 H4* A 168 1.516 33.283 -12.787 90 H3* A 168 H3* A 168 0.171 33.674 -15.459 91 H2* A 168 H2* A 168 -1.861 33.090 -14.534 92 2HO* A 168 2HO* A 168 -1.814 31.380 -13.115 93 H1* A 168 H1* A 168 -0.857 33.935 -11.849 94 H8 A 168 H8 A 168 -2.723 34.997 -15.006 95 1H6 A 168 1H6 A 168 -6.425 38.235 -11.164 96 2H6 A 168 2H6 A 168 -6.184 37.754 -12.829 97 H2 A 168 H2 A 168 -3.133 36.467 -8.760 98 1H5* U 169 1H5* U 169 0.785 33.550 -17.949 99 2H5* U 169 2H5* U 169 -0.733 32.946 -17.284 100 H4* U 169 H4* U 169 0.529 32.422 -19.941 101 H3* U 169 H3* U 169 -2.215 33.205 -18.966 102 H2* U 169 H2* U 169 -3.144 32.340 -20.946 103 2HO* U 169 2HO* U 169 -0.660 31.704 -22.085 104 H1* U 169 H1* U 169 -1.283 30.114 -20.917 105 H3 U 169 H3 U 169 -5.390 28.149 -21.162 106 H5 U 169 H5 U 169 -5.098 29.487 -17.204 107 H6 U 169 H6 U 169 -3.035 30.644 -17.851 108 1H5* C 170 1H5* C 170 -0.744 37.645 -19.143 109 2H5* C 170 2H5* C 170 -0.208 36.018 -18.721 110 H4* C 170 H4* C 170 -2.260 36.776 -16.888 111 H3* C 170 H3* C 170 -0.395 39.005 -17.531 112 H2* C 170 H2* C 170 0.081 39.434 -15.253 113 2HO* C 170 2HO* C 170 -1.267 37.779 -13.822 114 H1* C 170 H1* C 170 0.660 36.843 -14.572 115 1H4 C 170 1H4 C 170 6.168 39.242 -16.791 116 2H4 C 170 2H4 C 170 5.772 38.587 -18.364 117 H5 C 170 H5 C 170 3.703 37.574 -18.884 118 H6 C 170 H6 C 170 1.483 36.933 -18.014 119 1H5* C 171 1H5* C 171 -2.950 42.729 -18.394 120 2H5* C 171 2H5* C 171 -1.229 43.110 -18.351 121 H4* C 171 H4* C 171 -3.105 42.580 -16.164 122 H3* C 171 H3* C 171 -0.500 44.077 -16.477 123 H2* C 171 H2* C 171 -0.366 44.224 -14.123 124 2HO* C 171 2HO* C 171 -2.386 44.610 -13.406 125 H1* C 171 H1* C 171 -1.265 41.516 -13.808 126 1H4 C 171 1H4 C 171 5.013 41.499 -12.542 127 2H4 C 171 2H4 C 171 5.315 41.265 -14.250 128 H5 C 171 H5 C 171 3.630 41.323 -15.903 129 H6 C 171 H6 C 171 1.216 41.622 -16.331 130 1H5* G 172 1H5* G 172 -2.859 47.908 -15.333 131 2H5* G 172 2H5* G 172 -2.542 48.856 -16.786 132 H4* G 172 H4* G 172 -1.658 50.158 -15.080 133 H3* G 172 H3* G 172 0.504 48.600 -16.450 134 H2* G 172 H2* G 172 2.152 49.591 -15.043 135 2HO* G 172 2HO* G 172 0.883 51.103 -13.361 136 H1* G 172 H1* G 172 0.757 49.000 -12.701 137 H8 G 172 H8 G 172 0.545 46.389 -15.439 138 H1 G 172 H1 G 172 5.486 45.595 -11.335 139 1H2 G 172 1H2 G 172 5.603 47.223 -10.076 140 2H2 G 172 2H2 G 172 4.524 48.599 -10.125 141 1H5* U 173 1H5* U 173 1.666 52.611 -16.195 142 2H5* U 173 2H5* U 173 2.273 53.281 -17.710 143 H4* U 173 H4* U 173 3.904 53.768 -16.090 144 H3* U 173 H3* U 173 4.705 51.474 -17.857 145 H2* U 173 H2* U 173 6.815 51.369 -16.775 146 2HO* U 173 2HO* U 173 7.500 53.269 -15.956 147 H1* U 173 H1* U 173 5.667 51.509 -14.199 148 H3 U 173 H3 U 173 7.427 47.317 -14.477 149 H5 U 173 H5 U 173 3.848 47.093 -16.640 150 H6 U 173 H6 U 173 3.669 49.528 -16.404 151 1H5* C 174 1H5* C 174 7.820 54.342 -18.019 152 2H5* C 174 2H5* C 174 8.406 54.605 -19.661 153 H4* C 174 H4* C 174 10.284 54.058 -18.325 154 H3* C 174 H3* C 174 9.419 51.838 -20.155 155 H2* C 174 H2* C 174 11.277 50.531 -19.459 156 2HO* C 174 2HO* C 174 12.960 51.602 -18.393 157 H1* C 174 H1* C 174 10.801 51.051 -16.726 158 1H4 C 174 1H4 C 174 8.161 45.332 -17.803 159 2H4 C 174 2H4 C 174 6.725 46.129 -18.405 160 H5 C 174 H5 C 174 6.541 48.464 -18.702 161 H6 C 174 H6 C 174 7.704 50.633 -18.494 162 1H5* U 175 1H5* U 175 12.534 54.861 -21.145 163 2H5* U 175 2H5* U 175 11.998 56.541 -21.174 164 H4* U 175 H4* U 175 11.946 55.755 -23.851 165 H3* U 175 H3* U 175 14.138 54.310 -22.437 166 H2* U 175 H2* U 175 15.735 54.919 -24.091 167 2HO* U 175 2HO* U 175 14.412 56.484 -25.749 168 H1* U 175 H1* U 175 15.100 57.620 -24.012 169 H3 U 175 H3 U 175 19.042 57.495 -21.791 170 H5 U 175 H5 U 175 16.294 55.957 -19.030 171 H6 U 175 H6 U 175 14.619 56.005 -20.820 172 1H5* C 176 1H5* C 176 14.090 51.560 -21.886 173 2H5* C 176 2H5* C 176 15.326 52.670 -21.293 174 H4* C 176 H4* C 176 17.081 51.155 -21.841 175 H3* C 176 H3* C 176 15.051 49.751 -23.522 176 H2* C 176 H2* C 176 16.014 47.628 -23.049 177 2HO* C 176 2HO* C 176 17.926 48.408 -21.264 178 H1* C 176 H1* C 176 16.053 48.068 -20.286 179 1H4 C 176 1H4 C 176 10.597 44.957 -21.598 180 2H4 C 176 2H4 C 176 9.785 46.508 -21.596 181 H5 C 176 H5 C 176 10.908 48.579 -21.438 182 H6 C 176 H6 C 176 13.106 49.686 -21.239 183 1H5* G 177 1H5* G 177 19.029 47.994 -24.715 184 2H5* G 177 2H5* G 177 18.954 48.038 -26.476 185 H4* G 177 H4* G 177 19.550 45.822 -25.686 186 H3* G 177 H3* G 177 16.913 46.126 -27.091 187 H2* G 177 H2* G 177 16.590 43.767 -26.993 188 2HO* G 177 2HO* G 177 18.454 42.651 -26.957 189 H1* G 177 H1* G 177 17.160 43.631 -24.264 190 H8 G 177 H8 G 177 15.319 46.790 -24.767 191 H1 G 177 H1 G 177 11.436 41.612 -24.781 192 1H2 G 177 1H2 G 177 12.575 39.897 -24.900 193 2H2 G 177 2H2 G 177 14.322 39.866 -24.984 194 1H5* C 178 1H5* C 178 19.093 43.168 -29.069 195 2H5* C 178 2H5* C 178 18.961 43.186 -30.827 196 H4* C 178 H4* C 178 18.278 41.039 -30.020 197 H3* C 178 H3* C 178 16.090 42.761 -31.139 198 H2* C 178 H2* C 178 14.512 41.020 -30.807 199 2HO* C 178 2HO* C 178 15.329 38.929 -30.414 200 H1* C 178 H1* C 178 15.433 40.508 -28.176 201 1H4 C 178 1H4 C 178 10.181 44.090 -27.483 202 2H4 C 178 2H4 C 178 11.163 45.523 -27.692 203 H5 C 178 H5 C 178 13.455 45.477 -28.261 204 H6 C 178 H6 C 178 15.388 44.029 -28.775 205 1H5* U 179 1H5* U 179 16.025 39.043 -33.581 206 2H5* U 179 2H5* U 179 15.564 39.486 -35.224 207 H4* U 179 H4* U 179 14.055 37.827 -34.199 208 H3* U 179 H3* U 179 12.952 40.488 -35.067 209 H2* U 179 H2* U 179 10.759 39.732 -34.554 210 2HO* U 179 2HO* U 179 10.950 37.321 -33.667 211 H1* U 179 H1* U 179 11.495 38.727 -32.045 212 H3 U 179 H3 U 179 8.856 42.479 -31.527 213 H5 U 179 H5 U 179 12.801 43.868 -31.753 214 H6 U 179 H6 U 179 13.457 41.598 -32.413 215 1H5* U 180 1H5* U 180 10.784 37.639 -36.762 216 2H5* U 180 2H5* U 180 10.327 37.771 -38.460 217 H4* U 180 H4* U 180 8.333 37.565 -37.178 218 H3* U 180 H3* U 180 8.812 40.284 -38.343 219 H2* U 180 H2* U 180 6.769 41.080 -37.444 220 2HO* U 180 2HO* U 180 5.230 39.557 -37.104 221 H1* U 180 H1* U 180 7.278 39.918 -34.906 222 H3 U 180 H3 U 180 7.373 44.347 -33.971 223 H5 U 180 H5 U 180 10.923 43.701 -36.098 224 H6 U 180 H6 U 180 10.138 41.416 -36.520 225 1H5* A 181 1H5* A 181 6.014 38.644 -41.989 226 2H5* A 181 2H5* A 181 6.585 39.819 -43.174 227 H4* A 181 H4* A 181 4.185 40.050 -42.408 228 H3* A 181 H3* A 181 6.141 42.336 -42.367 229 H2* A 181 H2* A 181 4.396 43.804 -41.703 230 2HO* A 181 2HO* A 181 2.213 42.563 -41.549 231 H1* A 181 H1* A 181 3.468 42.093 -39.692 232 H8 A 181 H8 A 181 7.209 42.049 -39.925 233 1H6 A 181 1H6 A 181 7.173 46.896 -35.993 234 2H6 A 181 2H6 A 181 8.200 45.726 -36.792 235 H2 A 181 H2 A 181 2.989 46.101 -37.258 236 1H5* U 182 1H5* U 182 4.149 40.547 -46.255 237 2H5* U 182 2H5* U 182 5.638 40.274 -45.351 238 H4* U 182 H4* U 182 6.851 39.777 -47.208 239 H3* U 182 H3* U 182 5.120 41.728 -48.731 240 H2* U 182 H2* U 182 5.805 40.711 -50.738 241 2HO* U 182 2HO* U 182 7.815 39.782 -50.739 242 H1* U 182 H1* U 182 5.732 38.087 -49.497 243 H3 U 182 H3 U 182 3.032 37.466 -53.078 244 H5 U 182 H5 U 182 0.858 40.076 -50.628 245 H6 U 182 H6 U 182 2.840 40.221 -49.192 246 1H5* U 183 1H5* U 183 8.867 45.295 -49.776 247 2H5* U 183 2H5* U 183 9.524 44.609 -51.262 248 H4* U 183 H4* U 183 10.844 43.258 -49.188 249 H3* U 183 H3* U 183 10.416 46.149 -48.468 250 H2* U 183 H2* U 183 12.640 46.391 -47.947 251 2HO* U 183 2HO* U 183 13.236 44.868 -46.516 252 H1* U 183 H1* U 183 13.278 43.989 -49.627 253 H3 U 183 H3 U 183 14.804 47.099 -53.074 254 H5 U 183 H5 U 183 16.302 48.037 -49.277 255 H6 U 183 H6 U 183 14.659 46.469 -48.350 256 1H5* C 184 1H5* C 184 11.271 46.834 -43.778 257 2H5* C 184 2H5* C 184 12.723 46.882 -44.776 258 H4* C 184 H4* C 184 12.209 44.978 -42.479 259 H3* C 184 H3* C 184 13.755 47.550 -42.653 260 H2* C 184 H2* C 184 15.353 46.694 -41.118 261 2HO* C 184 2HO* C 184 14.068 44.202 -40.920 262 H1* C 184 H1* C 184 15.616 44.257 -42.476 263 1H4 C 184 1H4 C 184 20.333 47.998 -44.656 264 2H4 C 184 2H4 C 184 19.261 48.540 -45.927 265 H5 C 184 H5 C 184 16.974 47.962 -46.056 266 H6 C 184 H6 C 184 15.136 46.708 -44.987 267 1H5* G 185 1H5* G 185 11.608 50.131 -38.222 268 2H5* G 185 2H5* G 185 13.356 49.984 -38.398 269 H4* G 185 H4* G 185 11.727 48.278 -36.507 270 H3* G 185 H3* G 185 12.838 51.023 -36.093 271 H2* G 185 H2* G 185 13.573 50.456 -33.898 272 2HO* G 185 2HO* G 185 13.007 48.147 -33.278 273 H1* G 185 H1* G 185 14.881 48.142 -34.750 274 H8 G 185 H8 G 185 15.056 51.057 -37.157 275 H1 G 185 H1 G 185 19.824 50.895 -32.784 276 1H2 G 185 1H2 G 185 19.439 49.415 -31.400 277 2H2 G 185 2H2 G 185 18.034 48.373 -31.421 278 1H5* G 186 1H5* G 186 8.493 52.869 -32.638 279 2H5* G 186 2H5* G 186 10.231 53.167 -32.666 280 H4* G 186 H4* G 186 8.957 50.821 -31.246 281 H3* G 186 H3* G 186 9.447 53.614 -30.263 282 H2* G 186 H2* G 186 10.081 52.767 -28.128 283 2HO* G 186 2HO* G 186 9.479 50.671 -27.644 284 H1* G 186 H1* G 186 11.873 50.918 -29.203 285 H8 G 186 H8 G 186 10.959 54.596 -29.396 286 H1 G 186 H1 G 186 17.310 53.402 -29.049 287 1H2 G 186 1H2 G 186 17.639 51.372 -29.195 288 2H2 G 186 2H2 G 186 16.380 50.172 -29.383 289 1H5* G 187 1H5* G 187 4.930 55.192 -29.719 290 2H5* G 187 2H5* G 187 4.058 54.418 -28.395 291 H4* G 187 H4* G 187 2.551 54.457 -30.186 292 H3* G 187 H3* G 187 3.785 51.742 -29.824 293 H2* G 187 H2* G 187 2.405 50.880 -31.564 294 2HO* G 187 2HO* G 187 0.628 52.112 -32.174 295 H1* G 187 H1* G 187 3.073 52.922 -33.344 296 H8 G 187 H8 G 187 6.170 52.229 -31.488 297 H1 G 187 H1 G 187 4.916 47.719 -35.957 298 1H2 G 187 1H2 G 187 2.986 47.951 -36.646 299 2H2 G 187 2H2 G 187 1.873 49.183 -36.095 300 1H5* G 188 1H5* G 188 -0.196 50.832 -30.669 301 2H5* G 188 2H5* G 188 -0.820 50.197 -29.146 302 H4* G 188 H4* G 188 -1.569 48.658 -30.703 303 H3* G 188 H3* G 188 0.961 47.645 -29.433 304 H2* G 188 H2* G 188 0.751 45.613 -30.660 305 2HO* G 188 2HO* G 188 -1.306 45.706 -32.123 306 H1* G 188 H1* G 188 0.352 46.933 -33.092 307 H8 G 188 H8 G 188 2.854 48.948 -31.311 308 H1 G 188 H1 G 188 5.377 43.529 -33.790 309 1H2 G 188 1H2 G 188 3.857 42.273 -34.392 310 2H2 G 188 2H2 G 188 2.151 42.635 -34.247 311 1H5* A 189 1H5* A 189 -1.655 44.152 -28.778 312 2H5* A 189 2H5* A 189 -1.137 43.562 -27.199 313 H4* A 189 H4* A 189 -0.837 41.959 -29.100 314 H3* A 189 H3* A 189 1.481 42.756 -27.350 315 H2* A 189 H2* A 189 2.830 41.137 -28.446 316 2HO* A 189 2HO* A 189 1.704 39.426 -29.172 317 H1* A 189 H1* A 189 1.986 41.946 -31.010 318 H8 A 189 H8 A 189 2.535 44.903 -28.805 319 1H6 A 189 1H6 A 189 8.532 44.685 -30.517 320 2H6 A 189 2H6 A 189 7.332 45.640 -29.675 321 H2 A 189 H2 A 189 6.529 41.006 -31.999 322 1H5* G 190 1H5* G 190 1.175 38.441 -27.503 323 2H5* G 190 2H5* G 190 1.134 37.855 -25.840 324 H4* G 190 H4* G 190 2.681 36.493 -26.980 325 H3* G 190 H3* G 190 3.979 38.508 -25.182 326 H2* G 190 H2* G 190 6.136 37.656 -25.731 327 2HO* G 190 2HO* G 190 5.667 35.811 -27.555 328 H1* G 190 H1* G 190 5.671 37.776 -28.480 329 H8 G 190 H8 G 190 4.026 40.707 -26.894 330 H1 G 190 H1 G 190 10.388 41.519 -27.761 331 1H2 G 190 1H2 G 190 11.246 39.721 -28.292 332 2H2 G 190 2H2 G 190 10.371 38.217 -28.475 333 1H5* C 191 1H5* C 191 5.637 34.672 -24.243 334 2H5* C 191 2H5* C 191 6.038 34.527 -22.531 335 H4* C 191 H4* C 191 7.999 34.207 -23.941 336 H3* C 191 H3* C 191 7.972 36.603 -22.118 337 H2* C 191 H2* C 191 10.229 37.057 -22.720 338 2HO* C 191 2HO* C 191 11.373 35.405 -23.803 339 H1* C 191 H1* C 191 9.709 36.782 -25.469 340 1H4 C 191 1H4 C 191 9.361 43.059 -24.296 341 2H4 C 191 2H4 C 191 7.675 42.859 -23.872 342 H5 C 191 H5 C 191 6.598 40.763 -23.719 343 H6 C 191 H6 C 191 6.875 38.319 -23.938 344 1H5* G 192 1H5* G 192 11.743 34.231 -20.706 345 2H5* G 192 2H5* G 192 11.427 34.292 -18.972 346 H4* G 192 H4* G 192 13.671 35.027 -19.393 347 H3* G 192 H3* G 192 11.755 37.149 -18.470 348 H2* G 192 H2* G 192 13.543 38.722 -18.377 349 2HO* G 192 2HO* G 192 15.515 37.095 -19.388 350 H1* G 192 H1* G 192 14.438 38.113 -20.950 351 H8 G 192 H8 G 192 10.736 37.935 -20.988 352 H1 G 192 H1 G 192 12.976 43.998 -21.310 353 1H2 G 192 1H2 G 192 14.997 44.009 -20.898 354 2H2 G 192 2H2 G 192 15.944 42.586 -20.521 355 1H5* G 193 1H5* G 193 15.068 37.203 -16.255 356 2H5* G 193 2H5* G 193 14.947 37.274 -14.496 357 H4* G 193 H4* G 193 16.384 39.035 -15.253 358 H3* G 193 H3* G 193 13.732 39.897 -14.146 359 H2* G 193 H2* G 193 14.348 42.184 -14.404 360 2HO* G 193 2HO* G 193 16.669 42.290 -15.459 361 H1* G 193 H1* G 193 15.146 41.850 -17.057 362 H8 G 193 H8 G 193 12.210 39.674 -16.667 363 H1 G 193 H1 G 193 10.594 45.922 -17.144 364 1H2 G 193 1H2 G 193 12.282 47.087 -16.937 365 2H2 G 193 2H2 G 193 13.896 46.465 -16.673 366 1H5* A 194 1H5* A 194 16.511 42.771 -12.046 367 2H5* A 194 2H5* A 194 16.315 42.078 -10.436 368 H4* A 194 H4* A 194 16.077 44.373 -10.115 369 H3* A 194 H3* A 194 13.438 42.970 -10.149 370 H2* A 194 H2* A 194 12.269 45.014 -9.837 371 2HO* A 194 2HO* A 194 13.543 46.874 -9.288 372 H1* A 194 H1* A 194 13.682 46.337 -11.867 373 H8 A 194 H8 A 194 12.912 42.788 -12.791 374 1H6 A 194 1H6 A 194 7.482 44.904 -15.025 375 2H6 A 194 2H6 A 194 8.526 43.504 -14.929 376 H2 A 194 H2 A 194 9.468 48.218 -12.830 377 1H5* C 195 1H5* C 195 13.205 45.448 -6.963 378 2H5* C 195 2H5* C 195 12.847 44.636 -5.438 379 H4* C 195 H4* C 195 11.262 46.353 -5.621 380 H3* C 195 H3* C 195 10.097 43.672 -6.309 381 H2* C 195 H2* C 195 7.974 44.646 -6.644 382 2HO* C 195 2HO* C 195 7.744 46.896 -5.908 383 H1* C 195 H1* C 195 9.132 46.897 -8.019 384 1H4 C 195 1H4 C 195 6.274 43.441 -12.569 385 2H4 C 195 2H4 C 195 7.646 42.356 -12.582 386 H5 C 195 H5 C 195 9.450 42.497 -11.063 387 H6 C 195 H6 C 195 10.390 43.728 -9.140 388 1H5* G 196 1H5* G 196 7.376 44.754 -2.560 389 2H5* G 196 2H5* G 196 7.429 43.143 -1.846 390 H4* G 196 H4* G 196 5.139 43.854 -2.150 391 H3* G 196 H3* G 196 6.078 41.547 -3.832 392 H2* G 196 H2* G 196 3.866 41.267 -4.675 393 2HO* G 196 2HO* G 196 2.525 43.277 -3.578 394 H1* G 196 H1* G 196 3.592 43.970 -5.325 395 H8 G 196 H8 G 196 7.041 42.505 -5.871 396 H1 G 196 H1 G 196 3.076 42.016 -10.961 397 1H2 G 196 1H2 G 196 1.179 42.619 -10.418 398 2H2 G 196 2H2 G 196 0.732 43.175 -8.821 399 1H5* A 197 1H5* A 197 5.648 40.172 1.322 400 2H5* A 197 2H5* A 197 6.552 38.693 0.994 401 H4* A 197 H4* A 197 4.666 38.141 2.348 402 H3* A 197 H3* A 197 4.467 37.212 -0.507 403 H2* A 197 H2* A 197 2.363 36.352 -0.133 404 2HO* A 197 2HO* A 197 2.839 34.981 1.524 405 H1* A 197 H1* A 197 2.025 38.233 2.170 406 H8 A 197 H8 A 197 1.407 37.640 -1.550 407 1H6 A 197 1H6 A 197 -4.048 40.528 -0.626 408 2H6 A 197 2H6 A 197 -3.080 39.670 -1.804 409 H2 A 197 H2 A 197 -1.719 40.713 3.153 410 1H5* U 198 1H5* U 198 7.253 34.943 2.866 411 2H5* U 198 2H5* U 198 8.652 34.552 1.865 412 H4* U 198 H4* U 198 7.221 32.164 1.992 413 H3* U 198 H3* U 198 6.921 33.653 4.583 414 H2* U 198 H2* U 198 7.595 31.818 5.806 415 2HO* U 198 2HO* U 198 7.351 29.737 4.203 416 H1* U 198 H1* U 198 9.059 30.787 3.411 417 H3 U 198 H3 U 198 12.874 30.035 5.603 418 H5 U 198 H5 U 198 11.073 32.995 7.955 419 H6 U 198 H6 U 198 9.248 33.047 6.317 420 1H5* G 199 1H5* G 199 1.456 33.804 2.877 421 2H5* G 199 2H5* G 199 2.250 34.974 3.930 422 H4* G 199 H4* G 199 0.341 34.422 5.112 423 H3* G 199 H3* G 199 2.646 32.780 6.126 424 H2* G 199 H2* G 199 1.232 31.852 7.803 425 2HO* G 199 2HO* G 199 -0.802 32.859 8.129 426 H1* G 199 H1* G 199 -0.792 31.218 5.979 427 H8 G 199 H8 G 199 2.387 30.549 4.241 428 H1 G 199 H1 G 199 0.858 25.907 8.482 429 1H2 G 199 1H2 G 199 -0.689 26.553 9.682 430 2H2 G 199 2H2 G 199 -1.458 28.119 9.558 431 1H5* A 200 1H5* A 200 3.961 36.593 9.416 432 2H5* A 200 2H5* A 200 5.275 36.803 8.259 433 H4* A 200 H4* A 200 5.832 36.060 10.661 434 H3* A 200 H3* A 200 6.982 34.856 8.157 435 H2* A 200 H2* A 200 8.376 33.455 9.472 436 2HO* A 200 2HO* A 200 7.505 34.218 11.953 437 H1* A 200 H1* A 200 6.307 32.622 11.148 438 H8 A 200 H8 A 200 5.120 33.045 7.614 439 1H6 A 200 1H6 A 200 6.890 27.134 6.677 440 2H6 A 200 2H6 A 200 6.040 28.489 5.968 441 H2 A 200 H2 A 200 8.341 28.401 10.682 442 1H5* C 201 1H5* C 201 11.994 37.117 10.703 443 2H5* C 201 2H5* C 201 11.832 35.760 9.589 444 H4* C 201 H4* C 201 9.954 36.123 11.916 445 H3* C 201 H3* C 201 12.705 34.878 11.957 446 H2* C 201 H2* C 201 11.928 33.350 13.582 447 2HO* C 201 2HO* C 201 9.359 34.454 13.716 448 H1* C 201 H1* C 201 9.422 33.045 12.187 449 1H4 C 201 1H4 C 201 12.406 27.531 11.060 450 2H4 C 201 2H4 C 201 13.589 28.358 10.072 451 H5 C 201 H5 C 201 13.654 30.701 9.781 452 H6 C 201 H6 C 201 12.589 32.848 10.373 453 1H5* C 202 1H5* C 202 11.917 36.217 16.053 454 2H5* C 202 2H5* C 202 13.389 36.230 17.024 455 H4* C 202 H4* C 202 11.694 34.501 17.662 456 H3* C 202 H3* C 202 14.508 33.672 16.938 457 H2* C 202 H2* C 202 13.997 31.494 17.682 458 2HO* C 202 2HO* C 202 11.846 31.335 18.839 459 H1* C 202 H1* C 202 11.365 31.623 16.513 460 1H4 C 202 1H4 C 202 14.738 27.591 12.863 461 2H4 C 202 2H4 C 202 15.345 28.966 11.968 462 H5 C 202 H5 C 202 14.929 31.213 12.565 463 H6 C 202 H6 C 202 13.817 32.708 14.185 464 1H5* C 203 1H5* C 203 14.459 32.894 21.481 465 2H5* C 203 2H5* C 203 16.172 32.908 21.900 466 H4* C 203 H4* C 203 15.022 30.746 22.333 467 H3* C 203 H3* C 203 17.397 30.840 20.477 468 H2* C 203 H2* C 203 17.388 28.465 20.419 469 2HO* C 203 2HO* C 203 15.490 27.622 21.914 470 H1* C 203 H1* C 203 14.572 28.378 20.042 471 1H4 C 203 1H4 C 203 17.075 27.420 14.239 472 2H4 C 203 2H4 C 203 17.251 29.151 14.053 473 H5 C 203 H5 C 203 16.799 30.713 15.765 474 H6 C 203 H6 C 203 16.060 31.001 18.103 475 1H5* U 204 1H5* U 204 17.716 28.439 23.730 476 2H5* U 204 2H5* U 204 19.222 28.160 24.607 477 H4* U 204 H4* U 204 18.263 26.054 23.949 478 H3* U 204 H3* U 204 20.816 26.828 22.564 479 H2* U 204 H2* U 204 20.866 24.709 21.482 480 2HO* U 204 2HO* U 204 20.065 23.555 23.277 481 H1* U 204 H1* U 204 18.212 24.889 20.628 482 H3 U 204 H3 U 204 21.038 25.388 17.018 483 H5 U 204 H5 U 204 20.467 29.237 18.565 484 H6 U 204 H6 U 204 19.367 28.191 20.492 485 1H5* A 205 1H5* A 205 22.769 24.227 26.047 486 2H5* A 205 2H5* A 205 24.439 24.783 25.934 487 H4* A 205 H4* A 205 23.899 22.454 25.048 488 H3* A 205 H3* A 205 25.462 24.513 23.505 489 H2* A 205 H2* A 205 25.869 22.907 21.805 490 2HO* A 205 2HO* A 205 24.578 20.749 22.646 491 H1* A 205 H1* A 205 23.193 22.087 21.682 492 H8 A 205 H8 A 205 23.114 25.736 22.157 493 1H6 A 205 1H6 A 205 24.104 26.344 16.025 494 2H6 A 205 2H6 A 205 23.663 27.206 17.482 495 H2 A 205 H2 A 205 24.771 22.091 17.126 496 1H5* G 206 1H5* G 206 27.706 23.326 21.132 497 2H5* G 206 2H5* G 206 29.301 23.426 21.878 498 H4* G 206 H4* G 206 27.665 25.682 20.712 499 H3* G 206 H3* G 206 30.077 24.188 19.799 500 H2* G 206 H2* G 206 31.103 26.172 18.971 501 2HO* G 206 2HO* G 206 28.967 26.979 18.359 502 H1* G 206 H1* G 206 30.730 27.569 21.356 503 H8 G 206 H8 G 206 31.494 23.946 21.978 504 H1 G 206 H1 G 206 36.750 27.634 21.164 505 1H2 G 206 1H2 G 206 36.183 29.510 20.522 506 2H2 G 206 2H2 G 206 34.529 30.009 20.245 507 1H5* U 207 1H5* U 207 27.093 25.002 15.563 508 2H5* U 207 2H5* U 207 28.342 25.163 14.329 509 H4* U 207 H4* U 207 26.489 26.910 14.369 510 H3* U 207 H3* U 207 29.420 27.580 14.253 511 H2* U 207 H2* U 207 28.875 29.880 14.024 512 2HO* U 207 2HO* U 207 26.938 30.274 13.098 513 H1* U 207 H1* U 207 27.040 29.853 16.135 514 H3 U 207 H3 U 207 30.342 32.118 18.172 515 H5 U 207 H5 U 207 32.023 28.324 17.607 516 H6 U 207 H6 U 207 29.996 27.720 16.365 517 1H5* A 208 1H5* A 208 29.536 29.091 9.107 518 2H5* A 208 2H5* A 208 27.945 28.804 8.403 519 H4* A 208 H4* A 208 29.579 27.659 7.089 520 H3* A 208 H3* A 208 27.718 25.948 8.678 521 H2* A 208 H2* A 208 28.763 23.956 7.908 522 2HO* A 208 2HO* A 208 29.113 24.802 5.798 523 H1* A 208 H1* A 208 31.343 24.863 8.502 524 H8 A 208 H8 A 208 28.310 25.546 10.744 525 1H6 A 208 1H6 A 208 30.518 20.916 14.299 526 2H6 A 208 2H6 A 208 29.265 22.131 14.170 527 H2 A 208 H2 A 208 33.116 21.275 10.713 528 1H5* G 209 1H5* G 209 26.497 24.632 5.408 529 2H5* G 209 2H5* G 209 24.790 24.208 5.283 530 H4* G 209 H4* G 209 26.200 22.427 6.274 531 H3* G 209 H3* G 209 23.887 23.571 7.811 532 H2* G 209 H2* G 209 24.250 21.980 9.546 533 2HO* G 209 2HO* G 209 26.526 20.836 8.499 534 H1* G 209 H1* G 209 26.982 22.547 9.718 535 H8 G 209 H8 G 209 25.124 25.707 9.066 536 H1 G 209 H1 G 209 25.053 23.933 15.290 537 1H2 G 209 1H2 G 209 25.788 22.015 15.468 538 2H2 G 209 2H2 G 209 26.340 21.032 14.130 539 1H5* A 210 1H5* A 210 23.849 19.326 8.574 540 2H5* A 210 2H5* A 210 22.204 18.844 8.164 541 H4* A 210 H4* A 210 22.732 18.070 10.375 542 H3* A 210 H3* A 210 20.713 20.300 10.248 543 H2* A 210 H2* A 210 20.351 20.072 12.584 544 2HO* A 210 2HO* A 210 21.456 18.202 13.599 545 H1* A 210 H1* A 210 23.098 20.008 13.174 546 H8 A 210 H8 A 210 22.287 22.493 10.488 547 1H6 A 210 1H6 A 210 21.293 26.614 15.069 548 2H6 A 210 2H6 A 210 21.444 26.429 13.336 549 H2 A 210 H2 A 210 21.823 22.600 16.901 550 1H5* G 211 1H5* G 211 18.706 16.788 12.092 551 2H5* G 211 2H5* G 211 16.998 16.816 11.654 552 H4* G 211 H4* G 211 17.415 16.782 14.098 553 H3* G 211 H3* G 211 15.848 19.020 12.847 554 H2* G 211 H2* G 211 15.394 19.909 15.010 555 2HO* G 211 2HO* G 211 15.359 18.386 16.556 556 H1* G 211 H1* G 211 18.069 19.821 15.798 557 H8 G 211 H8 G 211 18.112 20.747 12.231 558 H1 G 211 H1 G 211 16.492 25.705 16.061 559 1H2 G 211 1H2 G 211 16.097 25.008 17.961 560 2H2 G 211 2H2 G 211 16.192 23.329 18.445 561 1H5* G 212 1H5* G 212 12.403 17.148 15.609 562 2H5* G 212 2H5* G 212 11.134 17.347 14.401 563 H4* G 212 H4* G 212 10.653 18.406 16.605 564 H3* G 212 H3* G 212 10.635 20.020 14.069 565 H2* G 212 H2* G 212 9.867 21.916 15.290 566 2HO* G 212 2HO* G 212 8.514 20.837 16.720 567 H1* G 212 H1* G 212 11.840 21.663 17.252 568 H8 G 212 H8 G 212 13.263 20.763 13.923 569 H1 G 212 H1 G 212 13.085 27.141 15.007 570 1H2 G 212 1H2 G 212 11.970 27.522 16.699 571 2H2 G 212 2H2 G 212 11.197 26.295 17.678 572 1H5* G 213 1H5* G 213 5.967 19.128 14.232 573 2H5* G 213 2H5* G 213 5.602 19.166 12.508 574 H4* G 213 H4* G 213 4.609 21.033 13.826 575 H3* G 213 H3* G 213 6.424 21.587 11.491 576 H2* G 213 H2* G 213 5.948 23.912 11.700 577 2HO* G 213 2HO* G 213 4.386 23.846 13.931 578 H1* G 213 H1* G 213 6.448 23.916 14.462 579 H8 G 213 H8 G 213 8.914 21.703 12.773 580 H1 G 213 H1 G 213 10.457 27.979 12.422 581 1H2 G 213 1H2 G 213 8.858 29.117 13.056 582 2H2 G 213 2H2 G 213 7.328 28.469 13.601 583 1H5* G 214 1H5* G 214 4.954 24.791 9.916 584 2H5* G 214 2H5* G 214 4.637 24.167 8.298 585 H4* G 214 H4* G 214 6.525 25.798 8.460 586 H3* G 214 H3* G 214 6.899 23.061 7.279 587 H2* G 214 H2* G 214 9.142 23.615 6.700 588 2HO* G 214 2HO* G 214 8.886 25.749 6.132 589 H1* G 214 H1* G 214 9.751 24.574 9.248 590 H8 G 214 H8 G 214 7.545 21.698 9.840 591 H1 G 214 H1 G 214 13.541 19.897 8.201 592 1H2 G 214 1H2 G 214 14.579 21.528 7.484 593 2H2 G 214 2H2 G 214 13.923 23.144 7.347 594 1H5* G 215 1H5* G 215 8.006 25.710 2.884 595 2H5* G 215 2H5* G 215 6.654 24.709 2.355 596 H4* G 215 H4* G 215 8.714 24.532 0.953 597 H3* G 215 H3* G 215 7.453 22.111 2.207 598 H2* G 215 H2* G 215 9.019 20.712 1.081 599 2HO* G 215 2HO* G 215 10.622 22.328 -0.198 600 H1* G 215 H1* G 215 11.219 22.207 1.910 601 H8 G 215 H8 G 215 8.926 22.288 4.774 602 H1 G 215 H1 G 215 11.952 16.595 4.217 603 1H2 G 215 1H2 G 215 12.878 16.484 2.378 604 2H2 G 215 2H2 G 215 12.839 17.746 1.167 605 1H5* C 216 1H5* C 216 5.466 21.710 -2.042 606 2H5* C 216 2H5* C 216 4.003 20.807 -1.650 607 H4* C 216 H4* C 216 5.815 19.568 -2.914 608 H3* C 216 H3* C 216 4.576 18.502 -0.383 609 H2* C 216 H2* C 216 5.771 16.473 -0.687 610 2HO* C 216 2HO* C 216 6.543 16.035 -2.745 611 H1* C 216 H1* C 216 8.193 17.796 -1.246 612 1H4 C 216 1H4 C 216 8.418 16.233 4.960 613 2H4 C 216 2H4 C 216 7.685 17.776 5.335 614 H5 C 216 H5 C 216 6.880 19.281 3.702 615 H6 C 216 H6 C 216 6.579 19.679 1.283 616 1H5* U 217 1H5* U 217 4.311 15.785 -3.187 617 2H5* U 217 2H5* U 217 2.798 14.930 -3.492 618 H4* U 217 H4* U 217 4.404 13.261 -3.114 619 H3* U 217 H3* U 217 2.652 13.692 -0.707 620 H2* U 217 H2* U 217 3.713 11.852 0.373 621 2HO* U 217 2HO* U 217 5.347 10.714 -1.017 622 H1* U 217 H1* U 217 6.284 12.795 -0.191 623 H3 U 217 H3 U 217 5.895 13.495 4.271 624 H5 U 217 H5 U 217 3.587 16.546 2.567 625 H6 U 217 H6 U 217 3.938 15.463 0.395 626 1H5* G 218 1H5* G 218 0.180 9.414 -2.301 627 2H5* G 218 2H5* G 218 -0.131 8.875 -0.650 628 H4* G 218 H4* G 218 1.298 7.221 -1.049 629 H3* G 218 H3* G 218 3.235 9.512 -0.844 630 H2* G 218 H2* G 218 5.009 8.104 -1.482 631 2HO* G 218 2HO* G 218 3.240 5.868 -1.461 632 H1* G 218 H1* G 218 3.335 6.754 -3.424 633 H8 G 218 H8 G 218 3.483 10.484 -3.705 634 H1 G 218 H1 G 218 8.247 7.448 -6.863 635 1H2 G 218 1H2 G 218 8.245 5.448 -6.355 636 2H2 G 218 2H2 G 218 7.120 4.706 -5.240 637 1H5* C 219 1H5* C 219 4.312 6.676 2.038 638 2H5* C 219 2H5* C 219 3.769 5.313 3.017 639 H4* C 219 H4* C 219 4.834 6.513 4.621 640 H3* C 219 H3* C 219 1.995 7.455 4.593 641 H2* C 219 H2* C 219 2.442 9.131 6.182 642 2HO* C 219 2HO* C 219 4.706 8.961 7.148 643 H1* C 219 H1* C 219 4.864 9.954 5.016 644 1H4 C 219 1H4 C 219 0.118 13.829 2.999 645 2H4 C 219 2H4 C 219 0.316 13.066 1.437 646 H5 C 219 H5 C 219 1.692 11.184 1.058 647 H6 C 219 H6 C 219 3.230 9.554 2.094 648 1H5* G 220 1H5* G 220 4.910 3.479 6.551 649 2H5* G 220 2H5* G 220 4.977 5.218 6.275 650 H4* G 220 H4* G 220 6.565 3.089 5.118 651 H3* G 220 H3* G 220 6.779 6.103 5.251 652 H2* G 220 H2* G 220 8.525 6.002 3.706 653 2HO* G 220 2HO* G 220 8.898 3.280 3.644 654 H1* G 220 H1* G 220 7.286 3.629 2.465 655 H8 G 220 H8 G 220 6.973 4.248 0.044 656 H1 G 220 H1 G 220 6.781 10.581 1.358 657 1H2 G 220 1H2 G 220 6.842 10.864 3.400 658 2H2 G 220 2H2 G 220 6.931 9.576 4.580 659 1H5* G 221 1H5* G 221 10.238 5.032 6.200 660 2H5* G 221 2H5* G 221 11.361 6.155 6.966 661 H4* G 221 H4* G 221 10.976 5.948 4.295 662 H3* G 221 H3* G 221 11.931 8.276 5.957 663 H2* G 221 H2* G 221 12.217 9.532 3.963 664 2HO* G 221 2HO* G 221 12.931 8.138 2.450 665 H1* G 221 H1* G 221 9.708 8.799 2.934 666 H8 G 221 H8 G 221 9.677 9.471 6.635 667 H1 G 221 H1 G 221 8.855 14.752 2.985 668 1H2 G 221 1H2 G 221 9.195 14.281 1.007 669 2H2 G 221 2H2 G 221 9.638 12.692 0.424 670 1H5* C 222 1H5* C 222 15.595 8.203 3.406 671 2H5* C 222 2H5* C 222 16.664 9.147 4.443 672 H4* C 222 H4* C 222 15.604 10.141 2.233 673 H3* C 222 H3* C 222 16.098 11.604 4.832 674 H2* C 222 H2* C 222 15.467 13.604 3.751 675 2HO* C 222 2HO* C 222 15.035 12.662 1.230 676 H1* C 222 H1* C 222 13.332 12.296 2.344 677 1H4 C 222 1H4 C 222 10.598 15.855 6.916 678 2H4 C 222 2H4 C 222 10.761 14.499 8.008 679 H5 C 222 H5 C 222 11.917 12.509 7.473 680 H6 C 222 H6 C 222 13.212 11.320 5.739 681 1H5* U 223 1H5* U 223 16.965 14.615 2.449 682 2H5* U 223 2H5* U 223 18.653 14.997 2.794 683 H4* U 223 H4* U 223 17.380 16.971 3.150 684 H3* U 223 H3* U 223 18.335 15.663 5.683 685 H2* U 223 H2* U 223 17.353 17.345 6.971 686 2HO* U 223 2HO* U 223 17.383 19.355 6.081 687 H1* U 223 H1* U 223 15.137 17.587 5.074 688 H3 U 223 H3 U 223 13.076 17.269 9.129 689 H5 U 223 H5 U 223 14.495 13.404 8.361 690 H6 U 223 H6 U 223 15.686 14.332 6.430 691 1H5* U 224 1H5* U 224 20.646 18.332 1.854 692 2H5* U 224 2H5* U 224 19.093 18.048 2.640 693 H4* U 224 H4* U 224 19.889 16.404 0.258 694 H3* U 224 H3* U 224 19.230 19.293 0.187 695 H2* U 224 H2* U 224 17.557 19.049 -1.466 696 2HO* U 224 2HO* U 224 17.541 16.399 -1.887 697 H1* U 224 H1* U 224 16.225 16.975 -0.233 698 H3 U 224 H3 U 224 13.381 20.123 1.176 699 H5 U 224 H5 U 224 16.995 21.345 2.902 700 H6 U 224 H6 U 224 18.070 19.475 1.736 701 1H5* A 225 1H5* A 225 20.491 18.518 -4.096 702 2H5* A 225 2H5* A 225 20.758 20.110 -4.806 703 H4* A 225 H4* A 225 18.732 18.814 -5.609 704 H3* A 225 H3* A 225 18.555 21.657 -4.618 705 H2* A 225 H2* A 225 16.286 21.716 -5.306 706 2HO* A 225 2HO* A 225 15.878 19.276 -6.289 707 H1* A 225 H1* A 225 15.719 19.191 -4.170 708 H8 A 225 H8 A 225 17.885 21.382 -2.017 709 1H6 A 225 1H6 A 225 12.590 23.596 0.435 710 2H6 A 225 2H6 A 225 14.333 23.598 0.588 711 H2 A 225 H2 A 225 11.546 21.024 -3.036 712 1H5* G 226 1H5* G 226 17.510 20.795 -8.473 713 2H5* G 226 2H5* G 226 17.859 21.806 -9.875 714 H4* G 226 H4* G 226 15.581 21.213 -10.026 715 H3* G 226 H3* G 226 16.053 24.048 -9.211 716 H2* G 226 H2* G 226 13.712 24.467 -9.075 717 2HO* G 226 2HO* G 226 12.313 22.863 -9.931 718 H1* G 226 H1* G 226 13.243 22.214 -7.480 719 H8 G 226 H8 G 226 16.429 23.568 -6.272 720 H1 G 226 H1 G 226 11.369 27.075 -4.274 721 1H2 G 226 1H2 G 226 9.686 26.516 -5.326 722 2H2 G 226 2H2 G 226 9.650 25.282 -6.565 723 1H5* G 227 1H5* G 227 15.827 22.939 -14.381 724 2H5* G 227 2H5* G 227 17.482 23.496 -14.624 725 H4* G 227 H4* G 227 16.310 24.429 -16.400 726 H3* G 227 H3* G 227 16.769 26.420 -14.220 727 H2* G 227 H2* G 227 15.605 28.111 -15.430 728 2HO* G 227 2HO* G 227 14.806 26.469 -17.517 729 H1* G 227 H1* G 227 13.377 26.493 -15.884 730 H8 G 227 H8 G 227 14.606 25.682 -12.492 731 H1 G 227 H1 G 227 11.202 31.184 -12.677 732 1H2 G 227 1H2 G 227 10.905 31.744 -14.639 733 2H2 G 227 2H2 G 227 11.492 30.857 -16.028 734 1H5* A 228 1H5* A 228 18.401 28.431 -17.856 735 2H5* A 228 2H5* A 228 19.827 29.329 -17.335 736 H4* A 228 H4* A 228 18.144 30.771 -18.381 737 H3* A 228 H3* A 228 18.900 31.245 -15.515 738 H2* A 228 H2* A 228 17.482 33.148 -15.431 739 2HO* A 228 2HO* A 228 16.531 32.859 -18.036 740 H1* A 228 H1* A 228 15.305 31.817 -16.571 741 H8 A 228 H8 A 228 16.886 29.337 -14.373 742 1H6 A 228 1H6 A 228 13.964 32.024 -9.557 743 2H6 A 228 2H6 A 228 14.883 30.622 -10.053 744 H2 A 228 H2 A 228 13.559 34.688 -13.091 745 1H5* G 229 1H5* G 229 19.731 35.649 -17.490 746 2H5* G 229 2H5* G 229 21.250 35.791 -16.607 747 H4* G 229 H4* G 229 19.657 37.696 -16.307 748 H3* G 229 H3* G 229 20.750 36.165 -13.964 749 H2* G 229 H2* G 229 19.670 37.679 -12.474 750 2HO* G 229 2HO* G 229 18.322 39.311 -14.030 751 H1* G 229 H1* G 229 17.205 37.458 -13.760 752 H8 G 229 H8 G 229 18.679 34.090 -13.908 753 H1 G 229 H1 G 229 16.291 35.486 -8.058 754 1H2 G 229 1H2 G 229 15.873 37.503 -7.948 755 2H2 G 229 2H2 G 229 16.129 38.644 -9.248 756 1H5* G 230 1H5* G 230 21.315 40.492 -13.486 757 2H5* G 230 2H5* G 230 22.878 40.800 -12.730 758 H4* G 230 H4* G 230 21.062 41.937 -11.560 759 H3* G 230 H3* G 230 22.615 39.827 -10.098 760 H2* G 230 H2* G 230 21.393 40.286 -8.105 761 2HO* G 230 2HO* G 230 20.396 42.254 -7.990 762 H1* G 230 H1* G 230 18.917 40.111 -9.380 763 H8 G 230 H8 G 230 20.983 37.520 -10.966 764 H1 G 230 H1 G 230 18.936 35.773 -5.081 765 1H2 G 230 1H2 G 230 18.156 37.415 -4.107 766 2H2 G 230 2H2 G 230 18.069 39.026 -4.785 767 1H5* G 231 1H5* G 231 22.777 43.697 -7.268 768 2H5* G 231 2H5* G 231 24.446 43.460 -6.748 769 H4* G 231 H4* G 231 22.798 43.706 -4.895 770 H3* G 231 H3* G 231 24.567 41.286 -5.099 771 H2* G 231 H2* G 231 23.725 40.493 -3.015 772 2HO* G 231 2HO* G 231 21.848 42.441 -2.581 773 H1* G 231 H1* G 231 21.060 40.830 -3.768 774 H8 G 231 H8 G 231 22.799 39.692 -6.807 775 H1 G 231 H1 G 231 21.718 34.873 -2.626 776 1H2 G 231 1H2 G 231 21.128 35.655 -0.810 777 2H2 G 231 2H2 G 231 20.953 37.362 -0.473 778 1H5* C 232 1H5* C 232 24.922 42.677 -1.356 779 2H5* C 232 2H5* C 232 26.559 43.061 -0.823 780 H4* C 232 H4* C 232 25.726 41.708 0.870 781 H3* C 232 H3* C 232 27.453 40.121 -1.000 782 H2* C 232 H2* C 232 27.133 38.169 0.313 783 2HO* C 232 2HO* C 232 25.398 39.300 2.149 784 H1* C 232 H1* C 232 24.347 38.520 0.457 785 1H4 C 232 1H4 C 232 25.151 34.452 -4.393 786 2H4 C 232 2H4 C 232 25.574 35.789 -5.438 787 H5 C 232 H5 C 232 25.815 38.017 -4.692 788 H6 C 232 H6 C 232 25.708 39.525 -2.740 789 1H5* A 233 1H5* A 233 28.746 39.497 3.038 790 2H5* A 233 2H5* A 233 30.500 39.392 3.186 791 H4* A 233 H4* A 233 29.502 37.436 4.155 792 H3* A 233 H3* A 233 31.020 36.988 1.599 793 H2* A 233 H2* A 233 30.686 34.645 1.815 794 2HO* A 233 2HO* A 233 29.146 34.804 4.125 795 H1* A 233 H1* A 233 27.948 34.892 2.318 796 H8 A 233 H8 A 233 29.084 37.409 -0.212 797 1H6 A 233 1H6 A 233 28.077 33.023 -4.538 798 2H6 A 233 2H6 A 233 28.452 34.715 -4.294 799 H2 A 233 H2 A 233 27.696 31.139 -0.532 800 1H5* G 234 1H5* G 234 32.180 34.086 4.298 801 2H5* G 234 2H5* G 234 33.915 34.187 4.591 802 H4* G 234 H4* G 234 33.524 31.920 4.233 803 H3* G 234 H3* G 234 34.608 33.222 1.753 804 H2* G 234 H2* G 234 34.646 31.107 0.655 805 2HO* G 234 2HO* G 234 33.547 29.490 2.475 806 H1* G 234 H1* G 234 32.013 30.504 1.353 807 H8 G 234 H8 G 234 32.261 34.149 0.638 808 H1 G 234 H1 G 234 31.743 30.523 -4.698 809 1H2 G 234 1H2 G 234 31.979 28.535 -4.204 810 2H2 G 234 2H2 G 234 32.272 27.939 -2.586 811 1H GLY 15 1H GLY 15 4.551 -1.502 -2.089 812 1HA GLY 15 1HA GLY 15 6.338 -1.485 -0.277 813 2HA GLY 15 2HA GLY 15 6.947 -1.655 -1.916 814 H ARG 16 H ARG 16 8.937 -0.756 -1.073 815 HA ARG 16 HA ARG 16 9.058 1.879 -0.025 816 1HB ARG 16 2HB ARG 16 11.239 0.293 -1.392 817 2HB ARG 16 3HB ARG 16 11.466 1.699 -0.362 818 1HG ARG 16 2HG ARG 16 11.375 0.480 1.497 819 2HG ARG 16 3HG ARG 16 9.952 -0.408 0.945 820 1HD ARG 16 2HD ARG 16 11.261 -1.980 -0.224 821 2HD ARG 16 3HD ARG 16 12.703 -0.971 -0.123 822 HE ARG 16 HE ARG 16 11.969 -1.554 2.479 823 1HH1 ARG 16 2HH1 ARG 16 12.957 -3.308 -0.361 824 2HH1 ARG 16 1HH1 ARG 16 13.692 -4.598 0.532 825 1HH2 ARG 16 2HH2 ARG 16 12.933 -3.246 3.666 826 2HH2 ARG 16 1HH2 ARG 16 13.677 -4.563 2.822 827 H ALA 17 H ALA 17 10.443 0.756 -3.109 828 HA ALA 17 HA ALA 17 10.590 1.732 -5.161 829 1HB ALA 17 1HB ALA 17 8.231 3.403 -4.308 830 2HB ALA 17 2HB ALA 17 8.756 3.052 -5.956 831 3HB ALA 17 3HB ALA 17 8.109 1.761 -4.943 832 H ARG 18 H ARG 18 11.666 3.019 -2.557 833 HA ARG 18 HA ARG 18 11.797 5.783 -2.833 834 1HB ARG 18 2HB ARG 18 14.010 4.009 -1.796 835 2HB ARG 18 3HB ARG 18 13.742 5.702 -1.404 836 1HG ARG 18 2HG ARG 18 11.362 4.375 -0.751 837 2HG ARG 18 3HG ARG 18 12.676 3.356 -0.158 838 1HD ARG 18 2HD ARG 18 12.963 6.243 0.354 839 2HD ARG 18 3HD ARG 18 11.644 5.445 1.208 840 HE ARG 18 HE ARG 18 14.450 5.148 1.702 841 1HH1 ARG 18 2HH1 ARG 18 11.347 3.586 1.929 842 2HH1 ARG 18 1HH1 ARG 18 11.824 2.537 3.223 843 1HH2 ARG 18 2HH2 ARG 18 15.089 3.774 3.407 844 2HH2 ARG 18 1HH2 ARG 18 13.952 2.646 4.063 845 H GLY 19 H GLY 19 12.791 7.113 -4.213 846 1HA GLY 19 1HA GLY 19 14.623 7.819 -5.547 847 2HA GLY 19 2HA GLY 19 15.108 6.139 -5.724 848 H LEU 20 H LEU 20 12.207 5.468 -6.308 849 HA LEU 20 HA LEU 20 12.343 6.138 -9.158 850 1HB LEU 20 2HB LEU 20 11.318 3.867 -7.586 851 2HB LEU 20 3HB LEU 20 10.351 4.322 -8.987 852 HG LEU 20 HG LEU 20 13.190 4.089 -9.603 853 1HD1 LEU 20 1HD1 LEU 20 13.180 1.602 -9.505 854 2HD1 LEU 20 2HD1 LEU 20 11.715 1.693 -8.528 855 3HD1 LEU 20 3HD1 LEU 20 13.221 2.384 -7.925 856 1HD2 LEU 20 1HD2 LEU 20 11.588 4.252 -11.353 857 2HD2 LEU 20 2HD2 LEU 20 10.630 2.930 -10.687 858 3HD2 LEU 20 3HD2 LEU 20 12.220 2.605 -11.381 859 H CYS 21 H CYS 21 11.083 7.799 -9.914 860 HA CYS 21 HA CYS 21 9.101 8.932 -8.291 861 1HB CYS 21 2HB CYS 21 10.412 10.150 -10.039 862 2HB CYS 21 3HB CYS 21 9.509 9.299 -11.277 863 H TYR 22 H TYR 22 6.833 8.927 -8.655 864 HA TYR 22 HA TYR 22 5.823 6.536 -10.051 865 1HB TYR 22 2HB TYR 22 5.278 6.080 -7.860 866 2HB TYR 22 3HB TYR 22 5.109 7.779 -7.435 867 HD1 TYR 22 HD1 TYR 22 3.463 5.239 -9.634 868 HD2 TYR 22 HD2 TYR 22 2.981 8.567 -7.026 869 HE1 TYR 22 HE1 TYR 22 1.020 5.043 -9.842 870 HE2 TYR 22 HE2 TYR 22 0.537 8.378 -7.227 871 HH TYR 22 HH TYR 22 -0.951 6.049 -9.424 872 H THR 23 H THR 23 5.588 9.955 -9.667 873 HA THR 23 HA THR 23 3.019 10.370 -10.768 874 HB THR 23 HB THR 23 5.350 12.283 -10.953 875 HG1 THR 23 HG1 THR 23 5.132 12.639 -8.871 876 1HG2 THR 23 1HG2 THR 23 2.479 12.432 -11.498 877 2HG2 THR 23 2HG2 THR 23 3.790 13.487 -12.029 878 3HG2 THR 23 3HG2 THR 23 3.066 13.713 -10.437 879 H CYS 24 H CYS 24 6.317 10.282 -12.273 880 HA CYS 24 HA CYS 24 4.937 10.304 -14.855 881 1HB CYS 24 2HB CYS 24 6.998 11.132 -15.842 882 2HB CYS 24 3HB CYS 24 6.489 12.190 -14.541 883 H GLY 25 H GLY 25 7.328 8.794 -12.761 884 1HA GLY 25 1HA GLY 25 7.594 6.416 -12.668 885 2HA GLY 25 2HA GLY 25 7.150 6.336 -14.366 886 H SER 26 H SER 26 9.465 8.597 -12.987 887 HA SER 26 HA SER 26 11.520 7.439 -14.723 888 1HB SER 26 2HB SER 26 10.886 9.939 -14.752 889 2HB SER 26 3HB SER 26 11.765 10.042 -13.226 890 HG SER 26 HG SER 26 12.981 10.467 -15.238 891 HA PRO 27 HA PRO 27 13.286 5.605 -11.058 892 1HB PRO 27 2HB PRO 27 15.368 4.420 -12.336 893 2HB PRO 27 3HB PRO 27 13.724 3.771 -12.370 894 1HG PRO 27 2HG PRO 27 15.153 5.416 -14.422 895 2HG PRO 27 3HG PRO 27 14.119 3.994 -14.650 896 1HD PRO 27 2HD PRO 27 13.232 6.520 -15.051 897 2HD PRO 27 3HD PRO 27 12.177 5.220 -14.462 898 H GLY 28 H GLY 28 13.911 7.630 -10.117 899 1HA GLY 28 1HA GLY 28 16.611 7.966 -9.652 900 2HA GLY 28 2HA GLY 28 16.229 9.047 -10.985 901 H HIS 29 H HIS 29 14.070 10.318 -10.515 902 HA HIS 29 HA HIS 29 14.499 11.627 -7.931 903 1HB HIS 29 2HB HIS 29 13.344 13.530 -8.859 904 2HB HIS 29 3HB HIS 29 14.551 12.991 -10.023 905 HD1 HIS 29 HD1 HIS 29 13.736 12.646 -12.339 906 HD2 HIS 29 HD2 HIS 29 10.639 12.567 -9.571 907 HE1 HIS 29 HE1 HIS 29 11.624 12.482 -13.696 908 H TYR 30 H TYR 30 12.180 12.800 -7.354 909 HA TYR 30 HA TYR 30 10.179 10.646 -7.232 910 1HB TYR 30 2HB TYR 30 11.704 11.594 -5.066 911 2HB TYR 30 3HB TYR 30 10.100 12.288 -4.860 912 HD1 TYR 30 HD1 TYR 30 11.702 9.009 -5.671 913 HD2 TYR 30 HD2 TYR 30 8.519 11.050 -3.721 914 HE1 TYR 30 HE1 TYR 30 10.903 6.872 -4.752 915 HE2 TYR 30 HE2 TYR 30 7.712 8.920 -2.796 916 HH TYR 30 HH TYR 30 7.930 6.694 -2.836 917 H GLN 31 H GLN 31 8.055 11.630 -6.245 918 HA GLN 31 HA GLN 31 6.960 13.366 -8.083 919 1HB GLN 31 2HB GLN 31 5.524 12.046 -6.701 920 2HB GLN 31 3HB GLN 31 6.149 12.787 -5.235 921 1HG GLN 31 2HG GLN 31 4.652 14.414 -5.332 922 2HG GLN 31 3HG GLN 31 5.076 14.786 -7.002 923 1HE2 GLN 31 1HE2 GLN 31 3.477 12.124 -5.275 924 2HE2 GLN 31 2HE2 GLN 31 2.116 12.029 -6.336 925 H ALA 32 H ALA 32 8.387 14.119 -4.932 926 HA ALA 32 HA ALA 32 7.762 16.841 -4.839 927 1HB ALA 32 1HB ALA 32 9.770 15.093 -3.542 928 2HB ALA 32 2HB ALA 32 10.061 16.832 -3.490 929 3HB ALA 32 3HB ALA 32 8.567 16.169 -2.827 930 H GLN 33 H GLN 33 10.108 15.123 -6.712 931 HA GLN 33 HA GLN 33 11.164 17.689 -7.703 932 1HB GLN 33 2HB GLN 33 12.575 15.070 -7.241 933 2HB GLN 33 3HB GLN 33 13.225 16.293 -8.323 934 1HG GLN 33 2HG GLN 33 13.936 17.579 -6.642 935 2HG GLN 33 3HG GLN 33 12.472 17.319 -5.695 936 1HE2 GLN 33 1HE2 GLN 33 13.574 17.012 -3.784 937 2HE2 GLN 33 2HE2 GLN 33 14.518 15.602 -3.465 938 H CYS 34 H CYS 34 8.805 15.997 -8.643 939 HA CYS 34 HA CYS 34 9.758 14.852 -11.087 940 1HB CYS 34 2HB CYS 34 7.821 13.933 -9.781 941 2HB CYS 34 3HB CYS 34 6.895 15.356 -10.215 942 HA PRO 35 HA PRO 35 9.685 18.791 -13.185 943 1HB PRO 35 2HB PRO 35 10.165 17.800 -15.668 944 2HB PRO 35 3HB PRO 35 11.422 17.954 -14.435 945 1HG PRO 35 2HG PRO 35 9.850 15.539 -15.244 946 2HG PRO 35 3HG PRO 35 11.582 15.680 -14.896 947 1HD PRO 35 2HD PRO 35 9.810 14.695 -13.101 948 2HD PRO 35 3HD PRO 35 11.257 15.602 -12.615 949 H LYS 36 H LYS 36 7.511 16.193 -13.593 950 HA LYS 36 HA LYS 36 5.872 17.656 -15.529 951 1HB LYS 36 2HB LYS 36 6.350 14.892 -15.008 952 2HB LYS 36 3HB LYS 36 4.642 15.213 -14.740 953 1HG LYS 36 2HG LYS 36 4.392 14.960 -16.930 954 2HG LYS 36 3HG LYS 36 5.169 16.536 -17.097 955 1HD LYS 36 2HD LYS 36 7.352 15.001 -16.891 956 2HD LYS 36 3HD LYS 36 6.243 13.820 -17.593 957 1HE LYS 36 2HE LYS 36 5.762 16.026 -19.125 958 2HE LYS 36 3HE LYS 36 7.483 16.192 -18.788 959 1HZ LYS 36 1HZ LYS 36 6.781 13.518 -19.501 960 2HZ LYS 36 2HZ LYS 36 7.959 14.534 -20.167 961 3HZ LYS 36 3HZ LYS 36 6.360 14.618 -20.715 962 H LYS 37 H LYS 37 6.268 17.624 -12.295 963 HA LYS 37 HA LYS 37 3.746 17.313 -11.173 964 1HB LYS 37 2HB LYS 37 6.204 18.818 -10.441 965 2HB LYS 37 3HB LYS 37 4.720 19.246 -9.599 966 1HG LYS 37 2HG LYS 37 5.022 16.393 -9.676 967 2HG LYS 37 3HG LYS 37 6.475 17.150 -9.017 968 1HD LYS 37 2HD LYS 37 5.245 16.984 -7.103 969 2HD LYS 37 3HD LYS 37 4.674 18.557 -7.668 970 1HE LYS 37 2HE LYS 37 3.155 16.380 -8.826 971 2HE LYS 37 3HE LYS 37 3.122 16.330 -7.064 972 1HZ LYS 37 1HZ LYS 37 1.861 18.155 -6.964 973 2HZ LYS 37 2HZ LYS 37 1.512 17.853 -8.591 974 3HZ LYS 37 3HZ LYS 37 2.723 18.959 -8.177 975 H ARG 38 H ARG 38 1.897 18.329 -11.539 976 HA ARG 38 HA ARG 38 1.988 21.089 -12.564 977 1HB ARG 38 2HB ARG 38 -0.166 20.649 -13.625 978 2HB ARG 38 3HB ARG 38 1.038 19.482 -14.155 979 1HG ARG 38 2HG ARG 38 0.017 17.736 -13.099 980 2HG ARG 38 3HG ARG 38 -0.695 18.763 -11.853 981 1HD ARG 38 2HD ARG 38 -2.263 19.664 -13.519 982 2HD ARG 38 3HD ARG 38 -1.564 18.598 -14.737 983 HE ARG 38 HE ARG 38 -2.417 17.074 -12.529 984 1HH1 ARG 38 2HH1 ARG 38 -3.689 18.919 -15.192 985 2HH1 ARG 38 1HH1 ARG 38 -5.153 17.999 -15.301 986 1HH2 ARG 38 2HH2 ARG 38 -4.340 15.854 -12.662 987 2HH2 ARG 38 1HH2 ARG 38 -5.523 16.257 -13.861 988 H LYS 39 H LYS 39 0.234 22.511 -11.906 989 HA LYS 39 HA LYS 39 -0.965 21.783 -9.320 990 1HB LYS 39 2HB LYS 39 0.509 24.310 -10.045 991 2HB LYS 39 3HB LYS 39 -0.613 24.239 -8.694 992 1HG LYS 39 2HG LYS 39 1.014 23.479 -7.407 993 2HG LYS 39 3HG LYS 39 1.135 22.042 -8.426 994 1HD LYS 39 2HD LYS 39 2.926 22.854 -9.593 995 2HD LYS 39 3HD LYS 39 2.442 24.537 -9.377 996 1HE LYS 39 2HE LYS 39 3.008 24.168 -6.898 997 2HE LYS 39 3HE LYS 39 3.852 22.720 -7.448 998 1HZ LYS 39 1HZ LYS 39 4.916 25.205 -7.328 999 2HZ LYS 39 2HZ LYS 39 4.509 25.071 -8.965 1000 3HZ LYS 39 3HZ LYS 39 5.528 23.925 -8.251 1001 H SER 40 H SER 40 -2.783 23.276 -8.717 1002 HA SER 40 HA SER 40 -4.073 24.853 -10.685 1003 1HB SER 40 2HB SER 40 -4.459 22.085 -11.007 1004 2HB SER 40 3HB SER 40 -5.946 22.693 -10.281 1005 HG SER 40 HG SER 40 -6.409 23.655 -12.089 1006 H GLY 41 H GLY 41 -6.305 25.490 -9.987 1007 1HA GLY 41 1HA GLY 41 -6.266 26.126 -7.203 1008 2HA GLY 41 2HA GLY 41 -7.550 26.513 -8.340 1009 H ASN 42 H ASN 42 -8.358 25.866 -5.900 1010 HA ASN 42 HA ASN 42 -9.753 23.364 -6.338 1011 1HB ASN 42 2HB ASN 42 -7.604 22.794 -5.123 1012 2HB ASN 42 3HB ASN 42 -8.214 23.737 -3.767 1013 1HD2 ASN 42 1HD2 ASN 42 -9.477 22.763 -2.336 1014 2HD2 ASN 42 2HD2 ASN 42 -10.188 21.200 -2.527 1015 H SER 43 H SER 43 -9.097 25.908 -3.935 1016 HA SER 43 HA SER 43 -11.901 26.590 -3.838 1017 1HB SER 43 2HB SER 43 -10.507 25.476 -1.392 1018 2HB SER 43 3HB SER 43 -12.076 26.280 -1.373 1019 HG SER 43 HG SER 43 -12.818 24.628 -2.808 1020 H ARG 44 H ARG 44 -12.252 28.399 -2.182 1021 HA ARG 44 HA ARG 44 -10.094 30.321 -2.547 1022 1HB ARG 44 2HB ARG 44 -12.415 30.947 -3.127 1023 2HB ARG 44 3HB ARG 44 -12.883 30.717 -1.447 1024 1HG ARG 44 2HG ARG 44 -10.674 32.482 -1.479 1025 2HG ARG 44 3HG ARG 44 -11.822 33.032 -2.702 1026 1HD ARG 44 2HD ARG 44 -13.563 32.581 -0.776 1027 2HD ARG 44 3HD ARG 44 -12.144 32.801 0.249 1028 HE ARG 44 HE ARG 44 -12.193 35.038 -0.225 1029 1HH1 ARG 44 2HH1 ARG 44 -14.184 33.342 -2.523 1030 2HH1 ARG 44 1HH1 ARG 44 -14.830 34.788 -3.227 1031 1HH2 ARG 44 2HH2 ARG 44 -13.036 36.949 -1.143 1032 2HH2 ARG 44 1HH2 ARG 44 -14.175 36.839 -2.442 1033 H GLU 45 H GLU 45 -8.786 29.044 -0.950 1034 HA GLU 45 HA GLU 45 -9.080 30.268 1.672 1035 1HB GLU 45 2HB GLU 45 -9.442 27.382 1.128 1036 2HB GLU 45 3HB GLU 45 -8.424 27.783 2.503 1037 1HG GLU 45 2HG GLU 45 -10.596 29.430 2.843 1038 2HG GLU 45 3HG GLU 45 -11.308 27.951 2.200 1039 H ARG 46 H ARG 46 -7.194 28.106 -0.407 1040 HA ARG 46 HA ARG 46 -4.742 28.967 0.953 1041 1HB ARG 46 2HB ARG 46 -5.410 26.480 0.408 1042 2HB ARG 46 3HB ARG 46 -4.779 26.876 -1.184 1043 1HG ARG 46 2HG ARG 46 -2.619 27.185 -0.392 1044 2HG ARG 46 3HG ARG 46 -3.160 27.405 1.273 1045 1HD ARG 46 2HD ARG 46 -2.741 25.254 1.637 1046 2HD ARG 46 3HD ARG 46 -4.038 24.856 0.512 1047 HE ARG 46 HE ARG 46 -2.464 24.297 -1.065 1048 1HH1 ARG 46 2HH1 ARG 46 -0.934 25.994 1.561 1049 2HH1 ARG 46 1HH1 ARG 46 0.675 25.659 1.014 1050 1HH2 ARG 46 2HH2 ARG 46 -0.351 23.848 -1.797 1051 2HH2 ARG 46 1HH2 ARG 46 1.006 24.439 -0.897 1052 H CYS 47 H CYS 47 -2.725 29.114 -0.666 1053 HA CYS 47 HA CYS 47 -3.663 30.630 -2.991 1054 1HB CYS 47 2HB CYS 47 -2.830 32.160 -1.238 1055 2HB CYS 47 3HB CYS 47 -1.294 31.318 -1.222 1056 H GLN 48 H GLN 48 -3.028 29.607 -4.765 1057 HA GLN 48 HA GLN 48 -0.825 27.691 -4.668 1058 1HB GLN 48 2HB GLN 48 -3.314 27.649 -5.900 1059 2HB GLN 48 3HB GLN 48 -2.194 27.936 -7.225 1060 1HG GLN 48 2HG GLN 48 -2.456 25.606 -7.082 1061 2HG GLN 48 3HG GLN 48 -0.876 25.962 -6.386 1062 1HE2 GLN 48 1HE2 GLN 48 -0.561 24.473 -4.881 1063 2HE2 GLN 48 2HE2 GLN 48 -1.664 24.075 -3.612 1064 H LEU 49 H LEU 49 -0.377 30.599 -4.666 1065 HA LEU 49 HA LEU 49 1.227 30.772 -7.130 1066 1HB LEU 49 2HB LEU 49 -0.850 32.491 -6.261 1067 2HB LEU 49 3HB LEU 49 0.667 33.373 -6.108 1068 HG LEU 49 HG LEU 49 0.203 31.970 -8.673 1069 1HD1 LEU 49 1HD1 LEU 49 -1.765 32.895 -9.104 1070 2HD1 LEU 49 2HD1 LEU 49 -0.997 34.478 -8.993 1071 3HD1 LEU 49 3HD1 LEU 49 -1.750 33.762 -7.569 1072 1HD2 LEU 49 1HD2 LEU 49 1.374 34.596 -7.786 1073 2HD2 LEU 49 2HD2 LEU 49 1.143 34.172 -9.484 1074 3HD2 LEU 49 3HD2 LEU 49 2.211 33.201 -8.469 1075 H CYS 50 H CYS 50 0.947 31.568 -3.637 1076 HA CYS 50 HA CYS 50 3.857 31.872 -3.668 1077 1HB CYS 50 2HB CYS 50 3.821 33.718 -2.216 1078 2HB CYS 50 3HB CYS 50 2.601 34.086 -3.419 1079 H ASN 51 H ASN 51 1.630 29.819 -3.073 1080 HA ASN 51 HA ASN 51 1.248 28.100 -1.635 1081 1HB ASN 51 2HB ASN 51 3.970 28.418 -1.717 1082 2HB ASN 51 3HB ASN 51 3.647 28.513 0.011 1083 1HD2 ASN 51 1HD2 ASN 51 3.603 26.513 -2.809 1084 2HD2 ASN 51 2HD2 ASN 51 3.316 25.015 -1.998 1085 H GLY 52 H GLY 52 0.623 30.984 -0.901 1086 1HA GLY 52 1HA GLY 52 0.839 31.264 1.906 1087 2HA GLY 52 2HA GLY 52 -0.281 32.135 0.869 1088 H MET 53 H MET 53 -0.862 31.203 3.488 1089 HA MET 53 HA MET 53 -2.960 29.231 2.868 1090 1HB MET 53 2HB MET 53 -0.995 28.443 4.339 1091 2HB MET 53 3HB MET 53 -1.688 29.475 5.583 1092 1HG MET 53 2HG MET 53 -3.573 27.632 4.289 1093 2HG MET 53 3HG MET 53 -2.300 26.872 5.240 1094 1HE MET 53 1HE MET 53 -4.351 25.853 6.323 1095 2HE MET 53 2HE MET 53 -5.157 26.562 7.722 1096 3HE MET 53 3HE MET 53 -5.747 26.908 6.095 1097 H GLY 54 H GLY 54 -4.657 30.623 2.631 1098 1HA GLY 54 1HA GLY 54 -6.319 31.389 4.529 1099 2HA GLY 54 2HA GLY 54 -5.117 32.663 4.675 1100 H HIS 55 H HIS 55 -4.490 33.442 2.255 1101 HA HIS 55 HA HIS 55 -6.976 34.557 1.247 1102 1HB HIS 55 2HB HIS 55 -5.501 36.000 -0.118 1103 2HB HIS 55 3HB HIS 55 -5.110 36.079 1.598 1104 HD1 HIS 55 HD1 HIS 55 -2.968 34.587 2.325 1105 HD2 HIS 55 HD2 HIS 55 -3.398 35.382 -1.731 1106 HE1 HIS 55 HE1 HIS 55 -0.714 34.131 1.308 1107 H ASN 56 H ASN 56 -6.601 34.983 -1.361 1108 HA ASN 56 HA ASN 56 -6.348 32.278 -2.506 1109 1HB ASN 56 2HB ASN 56 -8.672 33.494 -2.389 1110 2HB ASN 56 3HB ASN 56 -8.056 34.387 -3.776 1111 1HD2 ASN 56 1HD2 ASN 56 -9.338 33.570 -5.332 1112 2HD2 ASN 56 2HD2 ASN 56 -9.362 31.907 -5.800 1113 H ALA 57 H ALA 57 -5.499 32.098 -4.624 1114 HA ALA 57 HA ALA 57 -3.276 33.689 -5.173 1115 1HB ALA 57 1HB ALA 57 -2.842 32.042 -6.594 1116 2HB ALA 57 2HB ALA 57 -4.426 31.357 -6.227 1117 3HB ALA 57 3HB ALA 57 -4.239 32.469 -7.583 1118 H LYS 58 H LYS 58 -6.584 33.883 -6.364 1119 HA LYS 58 HA LYS 58 -6.159 35.755 -8.417 1120 1HB LYS 58 2HB LYS 58 -8.316 34.355 -7.472 1121 2HB LYS 58 3HB LYS 58 -8.712 35.998 -6.984 1122 1HG LYS 58 2HG LYS 58 -9.679 35.890 -9.059 1123 2HG LYS 58 3HG LYS 58 -8.103 36.584 -9.447 1124 1HD LYS 58 2HD LYS 58 -7.762 33.799 -9.508 1125 2HD LYS 58 3HD LYS 58 -9.281 34.121 -10.345 1126 1HE LYS 58 2HE LYS 58 -7.640 36.074 -11.336 1127 2HE LYS 58 3HE LYS 58 -6.529 34.722 -11.134 1128 1HZ LYS 58 1HZ LYS 58 -7.337 33.854 -12.985 1129 2HZ LYS 58 2HZ LYS 58 -8.445 35.120 -13.145 1130 3HZ LYS 58 3HZ LYS 58 -8.869 33.731 -12.280 1131 H GLN 59 H GLN 59 -6.182 36.086 -4.998 1132 HA GLN 59 HA GLN 59 -6.215 39.020 -5.269 1133 1HB GLN 59 2HB GLN 59 -7.980 37.679 -3.813 1134 2HB GLN 59 3HB GLN 59 -6.679 37.712 -2.630 1135 1HG GLN 59 2HG GLN 59 -6.811 40.317 -3.543 1136 2HG GLN 59 3HG GLN 59 -8.496 39.807 -3.450 1137 1HE2 GLN 59 1HE2 GLN 59 -9.408 39.376 -1.474 1138 2HE2 GLN 59 2HE2 GLN 59 -8.636 39.757 0.023 1139 H CYS 60 H CYS 60 -3.962 36.786 -5.341 1140 HA CYS 60 HA CYS 60 -2.411 37.671 -3.069 1141 1HB CYS 60 2HB CYS 60 -2.422 35.277 -3.689 1142 2HB CYS 60 3HB CYS 60 -1.733 35.672 -5.251 1143 H ARG 61 H ARG 61 -0.588 38.929 -3.277 1144 HA ARG 61 HA ARG 61 0.791 40.539 -4.103 1145 1HB ARG 61 2HB ARG 61 0.429 39.230 -6.797 1146 2HB ARG 61 3HB ARG 61 1.798 40.181 -6.237 1147 1HG ARG 61 2HG ARG 61 1.590 38.085 -4.415 1148 2HG ARG 61 3HG ARG 61 1.302 37.357 -5.997 1149 1HD ARG 61 2HD ARG 61 3.373 38.533 -6.798 1150 2HD ARG 61 3HD ARG 61 3.684 38.977 -5.121 1151 HE ARG 61 HE ARG 61 4.108 36.421 -6.334 1152 1HH1 ARG 61 2HH1 ARG 61 3.378 38.045 -3.344 1153 2HH1 ARG 61 1HH1 ARG 61 4.020 36.781 -2.348 1154 1HH2 ARG 61 2HH2 ARG 61 4.957 34.749 -5.035 1155 2HH2 ARG 61 1HH2 ARG 61 4.919 34.906 -3.311 1156 H LYS 62 H LYS 62 0.959 42.186 -6.076 1157 HA LYS 62 HA LYS 62 0.037 43.996 -7.100 1158 1HB LYS 62 2HB LYS 62 -1.064 42.086 -8.398 1159 2HB LYS 62 3HB LYS 62 -2.490 42.383 -7.412 1160 1HG LYS 62 2HG LYS 62 -1.874 44.890 -8.323 1161 2HG LYS 62 3HG LYS 62 -1.444 43.864 -9.694 1162 1HD LYS 62 2HD LYS 62 -3.611 43.894 -10.228 1163 2HD LYS 62 3HD LYS 62 -3.865 42.836 -8.838 1164 1HE LYS 62 2HE LYS 62 -5.236 44.437 -8.088 1165 2HE LYS 62 3HE LYS 62 -3.766 45.323 -7.686 1166 1HZ LYS 62 1HZ LYS 62 -4.090 46.777 -9.343 1167 2HZ LYS 62 2HZ LYS 62 -5.701 46.270 -9.264 1168 3HZ LYS 62 3HZ LYS 62 -4.661 45.608 -10.424 1169 H ARG 63 H ARG 63 0.103 44.772 -4.778 1170 HA ARG 63 HA ARG 63 -2.579 45.712 -4.053 1171 1HB ARG 63 2HB ARG 63 -1.607 43.728 -2.621 1172 2HB ARG 63 3HB ARG 63 -0.660 45.006 -1.872 1173 1HG ARG 63 2HG ARG 63 -3.493 45.652 -2.094 1174 2HG ARG 63 3HG ARG 63 -3.167 44.219 -1.117 1175 1HD ARG 63 2HD ARG 63 -1.801 45.418 0.375 1176 2HD ARG 63 3HD ARG 63 -1.658 46.786 -0.727 1177 HE ARG 63 HE ARG 63 -4.361 46.367 0.028 1178 1HH1 ARG 63 2HH1 ARG 63 -1.331 47.630 1.189 1179 2HH1 ARG 63 1HH1 ARG 63 -2.069 48.745 2.291 1180 1HH2 ARG 63 2HH2 ARG 63 -5.343 47.832 1.474 1181 2HH2 ARG 63 1HH2 ARG 63 -4.351 48.859 2.452 1182 H ASP 64 H ASP 64 -2.670 47.828 -3.589 1183 HA ASP 64 HA ASP 64 -0.134 49.304 -3.522 1184 1HB ASP 64 2HB ASP 64 -2.124 49.749 -5.194 1185 2HB ASP 64 3HB ASP 64 -2.784 50.654 -3.834 Start of MODEL 6 1 1H5* C 160 1H5* C 160 15.953 12.774 -13.731 2 2H5* C 160 2H5* C 160 16.092 14.246 -12.770 3 H4* C 160 H4* C 160 16.885 12.479 -11.421 4 H3* C 160 H3* C 160 19.072 14.221 -12.508 5 H2* C 160 H2* C 160 20.699 12.967 -11.327 6 2HO* C 160 2HO* C 160 18.827 11.187 -10.239 7 H1* C 160 H1* C 160 19.540 10.491 -12.119 8 1H4 C 160 1H4 C 160 24.659 11.412 -15.864 9 2H4 C 160 2H4 C 160 23.611 12.212 -17.015 10 H5 C 160 H5 C 160 21.341 12.712 -16.601 11 H6 C 160 H6 C 160 19.497 12.567 -14.964 12 1H5* U 161 1H5* U 161 19.702 14.493 -7.981 13 2H5* U 161 2H5* U 161 20.020 16.215 -7.770 14 H4* U 161 H4* U 161 21.785 14.872 -6.782 15 H3* U 161 H3* U 161 22.512 16.588 -9.141 16 H2* U 161 H2* U 161 24.799 15.991 -8.861 17 2HO* U 161 2HO* U 161 24.081 14.318 -6.674 18 H1* U 161 H1* U 161 24.228 13.253 -8.678 19 H3 U 161 H3 U 161 26.373 14.059 -12.668 20 H5 U 161 H5 U 161 22.304 14.701 -13.426 21 H6 U 161 H6 U 161 21.930 14.536 -11.008 22 1H5* G 162 1H5* G 162 25.069 17.550 -5.759 23 2H5* G 162 2H5* G 162 25.266 19.295 -5.612 24 H4* G 162 H4* G 162 27.425 18.254 -5.569 25 H3* G 162 H3* G 162 26.801 19.869 -8.021 26 H2* G 162 H2* G 162 29.006 19.492 -8.844 27 2HO* G 162 2HO* G 162 29.968 17.820 -6.952 28 H1* G 162 H1* G 162 28.869 16.735 -8.444 29 H8 G 162 H8 G 162 25.508 17.811 -9.543 30 H1 G 162 H1 G 162 29.719 17.355 -14.436 31 1H2 G 162 1H2 G 162 31.627 17.142 -13.686 32 2H2 G 162 2H2 G 162 32.027 17.093 -11.984 33 1H5* C 163 1H5* C 163 30.500 21.063 -6.635 34 2H5* C 163 2H5* C 163 30.681 22.813 -6.516 35 H4* C 163 H4* C 163 32.503 22.005 -7.795 36 H3* C 163 H3* C 163 30.418 23.408 -9.450 37 H2* C 163 H2* C 163 31.812 23.200 -11.362 38 2HO* C 163 2HO* C 163 33.977 22.899 -10.991 39 H1* C 163 H1* C 163 32.337 20.481 -10.889 40 1H4 C 163 1H4 C 163 27.510 20.441 -15.064 41 2H4 C 163 2H4 C 163 26.387 20.746 -13.759 42 H5 C 163 H5 C 163 27.043 21.163 -11.528 43 H6 C 163 H6 C 163 28.959 21.392 -9.988 44 1H5* C 164 1H5* C 164 34.015 25.441 -10.259 45 2H5* C 164 2H5* C 164 33.791 27.189 -10.307 46 H4* C 164 H4* C 164 34.732 26.469 -12.387 47 H3* C 164 H3* C 164 31.863 27.370 -12.542 48 H2* C 164 H2* C 164 31.944 27.158 -14.905 49 2HO* C 164 2HO* C 164 34.099 26.728 -15.819 50 H1* C 164 H1* C 164 33.187 24.626 -14.786 51 1H4 C 164 1H4 C 164 26.999 23.324 -15.659 52 2H4 C 164 2H4 C 164 26.714 23.579 -13.952 53 H5 C 164 H5 C 164 28.361 24.344 -12.442 54 H6 C 164 H6 C 164 30.712 25.062 -12.198 55 1H5* C 165 1H5* C 165 34.203 29.743 -15.214 56 2H5* C 165 2H5* C 165 33.693 31.431 -15.257 57 H4* C 165 H4* C 165 33.667 30.545 -17.484 58 H3* C 165 H3* C 165 30.970 31.127 -16.290 59 H2* C 165 H2* C 165 29.934 30.568 -18.354 60 2HO* C 165 2HO* C 165 32.505 30.002 -19.449 61 H1* C 165 H1* C 165 31.411 28.187 -18.626 62 1H4 C 165 1H4 C 165 25.839 26.367 -16.088 63 2H4 C 165 2H4 C 165 26.438 26.799 -14.503 64 H5 C 165 H5 C 165 28.517 27.856 -14.124 65 H6 C 165 H6 C 165 30.552 28.767 -15.185 66 1H5* U 166 1H5* U 166 30.995 33.162 -19.989 67 2H5* U 166 2H5* U 166 30.395 34.808 -19.788 68 H4* U 166 H4* U 166 29.117 33.737 -21.496 69 H3* U 166 H3* U 166 27.634 34.192 -18.919 70 H2* U 166 H2* U 166 25.638 33.406 -19.941 71 2HO* U 166 2HO* U 166 25.554 33.716 -22.096 72 H1* U 166 H1* U 166 26.944 31.155 -21.055 73 H3 U 166 H3 U 166 23.915 29.649 -17.949 74 H5 U 166 H5 U 166 27.352 30.634 -15.766 75 H6 U 166 H6 U 166 28.241 31.648 -17.814 76 1H5* C 167 1H5* C 167 25.171 36.359 -21.911 77 2H5* C 167 2H5* C 167 24.790 37.903 -21.149 78 H4* C 167 H4* C 167 22.759 36.832 -21.861 79 H3* C 167 H3* C 167 23.167 36.995 -18.884 80 H2* C 167 H2* C 167 20.986 36.118 -18.551 81 2HO* C 167 2HO* C 167 19.822 35.745 -20.733 82 H1* C 167 H1* C 167 21.388 34.080 -20.488 83 1H4 C 167 1H4 C 167 22.205 31.321 -14.765 84 2H4 C 167 2H4 C 167 23.903 31.734 -14.857 85 H5 C 167 H5 C 167 24.842 33.071 -16.563 86 H6 C 167 H6 C 167 24.378 34.354 -18.621 87 1H5* A 168 1H5* A 168 22.115 40.589 -16.691 88 2H5* A 168 2H5* A 168 23.703 39.840 -16.528 89 H4* A 168 H4* A 168 22.682 39.742 -14.401 90 H3* A 168 H3* A 168 22.669 37.078 -15.809 91 H2* A 168 H2* A 168 21.769 36.074 -13.870 92 2HO* A 168 2HO* A 168 23.020 37.141 -12.352 93 H1* A 168 H1* A 168 19.974 38.284 -13.458 94 H8 A 168 H8 A 168 20.808 35.545 -15.992 95 1H6 A 168 1H6 A 168 14.709 34.226 -15.856 96 2H6 A 168 2H6 A 168 16.255 33.723 -16.506 97 H2 A 168 H2 A 168 15.411 37.821 -13.342 98 1H5* U 169 1H5* U 169 24.418 33.643 -14.018 99 2H5* U 169 2H5* U 169 22.727 34.136 -13.926 100 H4* U 169 H4* U 169 23.062 34.120 -11.370 101 H3* U 169 H3* U 169 25.565 32.665 -12.234 102 H2* U 169 H2* U 169 25.360 31.271 -10.365 103 2HO* U 169 2HO* U 169 24.078 32.070 -8.591 104 H1* U 169 H1* U 169 22.438 31.378 -10.568 105 H3 U 169 H3 U 169 23.063 26.909 -10.272 106 H5 U 169 H5 U 169 24.835 27.911 -13.932 107 H6 U 169 H6 U 169 24.450 30.265 -13.361 108 1H5* C 170 1H5* C 170 26.662 36.462 -7.789 109 2H5* C 170 2H5* C 170 25.641 35.069 -8.148 110 H4* C 170 H4* C 170 25.529 36.845 -10.381 111 H3* C 170 H3* C 170 25.492 38.262 -7.757 112 H2* C 170 H2* C 170 23.555 39.503 -8.341 113 2HO* C 170 2HO* C 170 22.792 38.925 -10.661 114 H1* C 170 H1* C 170 22.082 37.315 -9.145 115 1H4 C 170 1H4 C 170 20.978 37.910 -2.861 116 2H4 C 170 2H4 C 170 22.252 36.746 -2.575 117 H5 C 170 H5 C 170 23.663 35.894 -4.266 118 H6 C 170 H6 C 170 24.202 35.950 -6.675 119 1H5* C 171 1H5* C 171 26.364 41.501 -10.116 120 2H5* C 171 2H5* C 171 27.900 42.319 -9.833 121 H4* C 171 H4* C 171 26.294 43.881 -9.205 122 H3* C 171 H3* C 171 27.440 42.493 -6.805 123 H2* C 171 H2* C 171 26.107 43.833 -5.363 124 2HO* C 171 2HO* C 171 25.025 45.643 -6.321 125 H1* C 171 H1* C 171 23.748 43.356 -6.749 126 1H4 C 171 1H4 C 171 24.088 38.813 -2.244 127 2H4 C 171 2H4 C 171 24.826 37.759 -3.429 128 H5 C 171 H5 C 171 25.463 38.457 -5.593 129 H6 C 171 H6 C 171 25.551 40.356 -7.169 130 1H5* G 172 1H5* G 172 27.840 46.608 -5.651 131 2H5* G 172 2H5* G 172 29.561 46.845 -5.344 132 H4* G 172 H4* G 172 28.464 47.653 -3.435 133 H3* G 172 H3* G 172 29.689 44.951 -2.994 134 H2* G 172 H2* G 172 28.991 44.982 -0.716 135 2HO* G 172 2HO* G 172 27.578 47.263 -0.608 136 H1* G 172 H1* G 172 26.358 45.655 -1.353 137 H8 G 172 H8 G 172 27.648 43.343 -3.965 138 H1 G 172 H1 G 172 25.701 40.297 1.404 139 1H2 G 172 1H2 G 172 25.360 41.681 2.895 140 2H2 G 172 2H2 G 172 25.570 43.407 2.717 141 1H5* U 173 1H5* U 173 30.599 47.326 0.216 142 2H5* U 173 2H5* U 173 32.289 47.254 0.713 143 H4* U 173 H4* U 173 30.912 46.773 2.607 144 H3* U 173 H3* U 173 32.434 44.418 1.517 145 H2* U 173 H2* U 173 31.658 43.088 3.323 146 2HO* U 173 2HO* U 173 30.464 44.273 5.019 147 H1* U 173 H1* U 173 28.993 44.006 3.021 148 H3 U 173 H3 U 173 29.080 39.513 2.064 149 H5 U 173 H5 U 173 30.195 41.432 -1.488 150 H6 U 173 H6 U 173 30.329 43.517 -0.203 151 1H5* C 174 1H5* C 174 33.790 44.565 5.743 152 2H5* C 174 2H5* C 174 35.546 44.610 5.599 153 H4* C 174 H4* C 174 35.044 42.881 7.120 154 H3* C 174 H3* C 174 35.870 41.881 4.415 155 H2* C 174 H2* C 174 35.696 39.634 5.154 156 2HO* C 174 2HO* C 174 36.452 39.742 7.217 157 H1* C 174 H1* C 174 33.185 40.113 6.400 158 1H4 C 174 1H4 C 174 31.846 37.205 0.862 159 2H4 C 174 2H4 C 174 31.888 38.762 0.067 160 H5 C 174 H5 C 174 32.534 40.767 1.135 161 H6 C 174 H6 C 174 33.306 41.781 3.250 162 1H5* U 175 1H5* U 175 39.329 43.500 7.894 163 2H5* U 175 2H5* U 175 40.117 44.414 6.609 164 H4* U 175 H4* U 175 42.122 43.301 6.846 165 H3* U 175 H3* U 175 40.578 40.981 8.021 166 H2* U 175 H2* U 175 42.537 40.264 9.064 167 2HO* U 175 2HO* U 175 44.282 40.432 7.777 168 H1* U 175 H1* U 175 43.444 43.051 9.335 169 H3 U 175 H3 U 175 44.214 41.734 13.572 170 H5 U 175 H5 U 175 40.088 41.165 13.132 171 H6 U 175 H6 U 175 40.358 41.758 10.768 172 1H5* C 176 1H5* C 176 39.078 38.993 6.369 173 2H5* C 176 2H5* C 176 38.999 39.342 8.097 174 H4* C 176 H4* C 176 39.276 37.003 8.637 175 H3* C 176 H3* C 176 39.920 36.671 5.734 176 H2* C 176 H2* C 176 38.857 34.543 5.682 177 2HO* C 176 2HO* C 176 38.108 33.727 7.788 178 H1* C 176 H1* C 176 36.528 35.480 6.914 179 1H4 C 176 1H4 C 176 35.395 35.847 0.627 180 2H4 C 176 2H4 C 176 36.069 37.462 0.634 181 H5 C 176 H5 C 176 37.101 38.451 2.514 182 H6 C 176 H6 C 176 37.748 38.130 4.875 183 1H5* G 177 1H5* G 177 41.263 32.915 7.588 184 2H5* G 177 2H5* G 177 42.940 32.714 7.080 185 H4* G 177 H4* G 177 41.790 30.681 6.630 186 H3* G 177 H3* G 177 42.507 32.290 4.205 187 H2* G 177 H2* G 177 41.614 30.598 2.784 188 2HO* G 177 2HO* G 177 41.938 28.675 3.743 189 H1* G 177 H1* G 177 39.197 30.467 4.170 190 H8 G 177 H8 G 177 40.162 34.023 4.191 191 H1 G 177 H1 G 177 37.725 32.147 -1.504 192 1H2 G 177 1H2 G 177 37.600 30.089 -1.555 193 2H2 G 177 2H2 G 177 38.084 29.029 -0.250 194 1H5* C 178 1H5* C 178 43.916 28.343 3.582 195 2H5* C 178 2H5* C 178 45.513 28.302 2.836 196 H4* C 178 H4* C 178 43.951 27.028 1.514 197 H3* C 178 H3* C 178 44.999 29.557 0.278 198 H2* C 178 H2* C 178 43.846 29.063 -1.736 199 2HO* C 178 2HO* C 178 43.319 26.941 -2.087 200 H1* C 178 H1* C 178 41.450 28.425 -0.386 201 1H4 C 178 1H4 C 178 40.687 34.465 -2.324 202 2H4 C 178 2H4 C 178 41.572 35.011 -0.918 203 H5 C 178 H5 C 178 42.627 33.559 0.616 204 H6 C 178 H6 C 178 43.099 31.202 1.185 205 1H5* U 179 1H5* U 179 46.013 26.517 -2.543 206 2H5* U 179 2H5* U 179 47.623 26.798 -3.206 207 H4* U 179 H4* U 179 45.988 26.736 -4.980 208 H3* U 179 H3* U 179 47.299 29.393 -4.463 209 H2* U 179 H2* U 179 46.190 30.306 -6.347 210 2HO* U 179 2HO* U 179 44.760 28.094 -7.100 211 H1* U 179 H1* U 179 43.708 29.138 -5.617 212 H3 U 179 H3 U 179 43.369 33.737 -5.439 213 H5 U 179 H5 U 179 44.831 32.546 -1.699 214 H6 U 179 H6 U 179 45.137 30.303 -2.643 215 1H5* U 180 1H5* U 180 47.657 28.384 -8.307 216 2H5* U 180 2H5* U 180 49.171 28.651 -9.172 217 H4* U 180 H4* U 180 47.469 29.790 -10.364 218 H3* U 180 H3* U 180 49.326 31.590 -8.847 219 H2* U 180 H2* U 180 48.193 33.508 -9.655 220 2HO* U 180 2HO* U 180 46.374 31.892 -11.109 221 H1* U 180 H1* U 180 45.640 32.393 -9.106 222 H3 U 180 H3 U 180 45.811 35.923 -6.271 223 H5 U 180 H5 U 180 48.441 33.142 -4.571 224 H6 U 180 H6 U 180 48.140 31.776 -6.585 225 1H5* A 181 1H5* A 181 51.774 31.800 -13.079 226 2H5* A 181 2H5* A 181 53.292 32.314 -12.344 227 H4* A 181 H4* A 181 52.115 33.997 -13.821 228 H3* A 181 H3* A 181 53.020 34.627 -11.021 229 H2* A 181 H2* A 181 52.361 36.888 -11.324 230 2HO* A 181 2HO* A 181 51.997 37.593 -13.450 231 H1* A 181 H1* A 181 49.856 36.218 -12.371 232 H8 A 181 H8 A 181 50.868 33.882 -9.619 233 1H6 A 181 1H6 A 181 48.266 37.952 -5.668 234 2H6 A 181 2H6 A 181 48.969 36.355 -5.799 235 H2 A 181 H2 A 181 48.383 39.811 -9.701 236 1H5* U 182 1H5* U 182 55.650 38.781 -13.221 237 2H5* U 182 2H5* U 182 54.161 37.920 -13.612 238 H4* U 182 H4* U 182 56.545 38.453 -15.373 239 H3* U 182 H3* U 182 53.618 39.169 -15.489 240 H2* U 182 H2* U 182 53.769 39.289 -17.838 241 2HO* U 182 2HO* U 182 56.174 39.003 -18.577 242 H1* U 182 H1* U 182 55.489 36.964 -17.909 243 H3 U 182 H3 U 182 52.125 35.585 -20.589 244 H5 U 182 H5 U 182 50.320 35.867 -16.821 245 H6 U 182 H6 U 182 52.411 36.852 -16.002 246 1H5* U 183 1H5* U 183 51.756 41.708 -14.970 247 2H5* U 183 2H5* U 183 52.419 41.404 -16.575 248 H4* U 183 H4* U 183 52.375 44.205 -16.287 249 H3* U 183 H3* U 183 49.937 42.941 -15.056 250 H2* U 183 H2* U 183 48.565 44.548 -16.082 251 2HO* U 183 2HO* U 183 49.849 46.385 -17.121 252 H1* U 183 H1* U 183 50.218 44.490 -18.480 253 H3 U 183 H3 U 183 46.017 43.799 -20.085 254 H5 U 183 H5 U 183 46.988 40.216 -18.146 255 H6 U 183 H6 U 183 49.004 41.332 -17.306 256 1H5* C 184 1H5* C 184 50.162 43.531 -10.575 257 2H5* C 184 2H5* C 184 49.274 45.049 -10.441 258 H4* C 184 H4* C 184 50.885 44.630 -8.593 259 H3* C 184 H3* C 184 51.216 47.105 -10.298 260 H2* C 184 H2* C 184 52.924 47.804 -8.894 261 2HO* C 184 2HO* C 184 52.631 47.405 -6.729 262 H1* C 184 H1* C 184 53.535 44.981 -8.217 263 1H4 C 184 1H4 C 184 58.141 47.819 -12.161 264 2H4 C 184 2H4 C 184 59.018 47.008 -10.882 265 H5 C 184 H5 C 184 57.980 45.830 -9.118 266 H6 C 184 H6 C 184 55.825 45.133 -8.135 267 1H5* G 185 1H5* G 185 46.733 49.275 -6.902 268 2H5* G 185 2H5* G 185 47.552 50.062 -8.251 269 H4* G 185 H4* G 185 49.179 50.483 -5.976 270 H3* G 185 H3* G 185 46.259 50.684 -5.312 271 H2* G 185 H2* G 185 46.662 52.675 -4.067 272 2HO* G 185 2HO* G 185 48.646 52.165 -3.186 273 H1* G 185 H1* G 185 48.102 53.879 -6.131 274 H8 G 185 H8 G 185 45.751 52.577 -8.331 275 H1 G 185 H1 G 185 42.702 56.497 -4.181 276 1H2 G 185 1H2 G 185 43.908 56.840 -2.545 277 2H2 G 185 2H2 G 185 45.508 56.166 -2.329 278 1H5* G 186 1H5* G 186 46.081 48.405 -0.608 279 2H5* G 186 2H5* G 186 47.608 48.556 0.263 280 H4* G 186 H4* G 186 46.892 46.505 -1.840 281 H3* G 186 H3* G 186 47.139 46.408 1.137 282 H2* G 186 H2* G 186 48.118 44.237 1.048 283 2HO* G 186 2HO* G 186 47.574 43.088 -0.719 284 H1* G 186 H1* G 186 50.026 44.988 -0.847 285 H8 G 186 H8 G 186 50.208 47.983 1.003 286 H1 G 186 H1 G 186 52.202 43.056 4.696 287 1H2 G 186 1H2 G 186 51.606 41.274 3.847 288 2H2 G 186 2H2 G 186 50.700 41.136 2.357 289 1H5* G 187 1H5* G 187 42.083 45.705 -1.492 290 2H5* G 187 2H5* G 187 43.494 44.690 -1.192 291 H4* G 187 H4* G 187 43.471 47.067 -3.064 292 H3* G 187 H3* G 187 42.812 44.192 -3.579 293 H2* G 187 H2* G 187 43.967 44.258 -5.663 294 2HO* G 187 2HO* G 187 44.899 46.864 -5.342 295 H1* G 187 H1* G 187 46.272 45.365 -4.547 296 H8 G 187 H8 G 187 45.015 43.027 -2.003 297 H1 G 187 H1 G 187 47.940 39.986 -6.910 298 1H2 G 187 1H2 G 187 48.234 41.310 -8.465 299 2H2 G 187 2H2 G 187 47.758 42.994 -8.441 300 1H5* G 188 1H5* G 188 42.546 45.841 -7.418 301 2H5* G 188 2H5* G 188 40.818 45.799 -7.763 302 H4* G 188 H4* G 188 41.756 44.935 -9.691 303 H3* G 188 H3* G 188 40.878 42.678 -7.909 304 H2* G 188 H2* G 188 41.509 41.116 -9.594 305 2HO* G 188 2HO* G 188 42.423 42.294 -11.604 306 H1* G 188 H1* G 188 44.033 42.264 -9.945 307 H8 G 188 H8 G 188 43.383 42.467 -6.335 308 H1 G 188 H1 G 188 45.002 36.488 -8.207 309 1H2 G 188 1H2 G 188 44.936 36.368 -10.265 310 2H2 G 188 2H2 G 188 44.505 37.692 -11.324 311 1H5* A 189 1H5* A 189 38.795 41.449 -11.788 312 2H5* A 189 2H5* A 189 37.324 40.770 -11.092 313 H4* A 189 H4* A 189 38.754 39.202 -12.462 314 H3* A 189 H3* A 189 37.852 38.548 -9.665 315 H2* A 189 H2* A 189 38.783 36.375 -9.893 316 2HO* A 189 2HO* A 189 39.314 35.680 -12.001 317 H1* A 189 H1* A 189 41.208 37.332 -10.930 318 H8 A 189 H8 A 189 39.971 39.572 -8.212 319 1H6 A 189 1H6 A 189 42.855 35.769 -4.190 320 2H6 A 189 2H6 A 189 42.028 37.304 -4.347 321 H2 A 189 H2 A 189 42.917 33.857 -8.200 322 1H5* G 190 1H5* G 190 36.889 35.250 -12.161 323 2H5* G 190 2H5* G 190 35.150 34.975 -12.051 324 H4* G 190 H4* G 190 36.075 32.855 -11.816 325 H3* G 190 H3* G 190 35.340 33.996 -9.140 326 H2* G 190 H2* G 190 36.012 31.970 -8.080 327 2HO* G 190 2HO* G 190 36.552 30.189 -9.504 328 H1* G 190 H1* G 190 38.482 31.911 -9.376 329 H8 G 190 H8 G 190 37.592 35.443 -8.582 330 H1 G 190 H1 G 190 40.167 32.253 -3.575 331 1H2 G 190 1H2 G 190 40.283 30.244 -4.023 332 2H2 G 190 2H2 G 190 39.760 29.530 -5.533 333 1H5* C 191 1H5* C 191 33.801 29.991 -9.407 334 2H5* C 191 2H5* C 191 32.281 29.853 -8.523 335 H4* C 191 H4* C 191 33.992 28.299 -7.701 336 H3* C 191 H3* C 191 32.946 30.409 -5.826 337 H2* C 191 H2* C 191 34.183 29.425 -4.054 338 2HO* C 191 2HO* C 191 35.088 27.326 -4.450 339 H1* C 191 H1* C 191 36.529 29.216 -5.601 340 1H4 C 191 1H4 C 191 37.211 34.579 -2.184 341 2H4 C 191 2H4 C 191 36.358 35.453 -3.436 342 H5 C 191 H5 C 191 35.342 34.420 -5.301 343 H6 C 191 H6 C 191 34.890 32.273 -6.434 344 1H5* G 192 1H5* G 192 32.313 26.498 -3.728 345 2H5* G 192 2H5* G 192 30.627 26.595 -3.221 346 H4* G 192 H4* G 192 31.953 25.952 -1.341 347 H3* G 192 H3* G 192 30.840 28.739 -1.222 348 H2* G 192 H2* G 192 31.718 28.998 0.978 349 2HO* G 192 2HO* G 192 33.003 26.837 1.554 350 H1* G 192 H1* G 192 34.264 28.121 0.252 351 H8 G 192 H8 G 192 32.909 30.088 -2.584 352 H1 G 192 H1 G 192 35.230 33.795 2.187 353 1H2 G 192 1H2 G 192 35.598 32.629 3.847 354 2H2 G 192 2H2 G 192 35.319 30.904 3.935 355 1H5* G 193 1H5* G 193 29.642 26.817 2.381 356 2H5* G 193 2H5* G 193 27.905 27.004 2.624 357 H4* G 193 H4* G 193 28.969 27.670 4.632 358 H3* G 193 H3* G 193 27.877 29.954 3.020 359 H2* G 193 H2* G 193 28.514 31.482 4.734 360 2HO* G 193 2HO* G 193 29.271 30.545 6.732 361 H1* G 193 H1* G 193 31.119 30.493 4.885 362 H8 G 193 H8 G 193 29.933 30.437 1.342 363 H1 G 193 H1 G 193 32.178 36.206 3.229 364 1H2 G 193 1H2 G 193 32.471 36.198 5.270 365 2H2 G 193 2H2 G 193 32.156 34.830 6.315 366 1H5* A 194 1H5* A 194 26.282 30.453 7.061 367 2H5* A 194 2H5* A 194 24.547 30.716 6.888 368 H4* A 194 H4* A 194 25.463 32.436 8.280 369 H3* A 194 H3* A 194 24.515 33.302 5.572 370 H2* A 194 H2* A 194 25.049 35.566 6.069 371 2HO* A 194 2HO* A 194 26.021 35.725 8.398 372 H1* A 194 H1* A 194 27.618 34.919 7.004 373 H8 A 194 H8 A 194 26.772 32.854 4.015 374 1H6 A 194 1H6 A 194 28.870 37.586 0.529 375 2H6 A 194 2H6 A 194 28.338 35.920 0.485 376 H2 A 194 H2 A 194 28.627 38.968 4.745 377 1H5* C 195 1H5* C 195 22.808 35.698 8.546 378 2H5* C 195 2H5* C 195 21.112 36.127 8.321 379 H4* C 195 H4* C 195 22.384 38.133 8.603 380 H3* C 195 H3* C 195 21.306 37.671 5.837 381 H2* C 195 H2* C 195 22.155 39.773 5.137 382 2HO* C 195 2HO* C 195 23.184 40.226 7.751 383 H1* C 195 H1* C 195 24.669 39.313 6.369 384 1H4 C 195 1H4 C 195 25.555 38.031 0.169 385 2H4 C 195 2H4 C 195 24.950 36.412 0.442 386 H5 C 195 H5 C 195 24.044 35.675 2.494 387 H6 C 195 H6 C 195 23.490 36.316 4.814 388 1H5* G 196 1H5* G 196 19.193 41.864 6.776 389 2H5* G 196 2H5* G 196 17.586 41.213 6.455 390 H4* G 196 H4* G 196 17.787 43.182 5.170 391 H3* G 196 H3* G 196 18.000 40.671 3.540 392 H2* G 196 H2* G 196 18.141 41.965 1.544 393 2HO* G 196 2HO* G 196 17.994 44.305 3.183 394 H1* G 196 H1* G 196 20.154 43.615 2.553 395 H8 G 196 H8 G 196 20.527 40.061 3.714 396 H1 G 196 H1 G 196 23.176 41.224 -2.074 397 1H2 G 196 1H2 G 196 22.628 43.105 -2.717 398 2H2 G 196 2H2 G 196 21.603 44.203 -1.821 399 1H5* A 197 1H5* A 197 15.284 38.602 1.488 400 2H5* A 197 2H5* A 197 15.832 39.413 0.020 401 H4* A 197 H4* A 197 13.094 39.265 1.211 402 H3* A 197 H3* A 197 14.319 38.761 -1.482 403 H2* A 197 H2* A 197 12.276 39.299 -2.548 404 2HO* A 197 2HO* A 197 10.935 38.262 -1.055 405 H1* A 197 H1* A 197 11.890 41.576 -0.849 406 H8 A 197 H8 A 197 14.041 40.062 -3.570 407 1H6 A 197 1H6 A 197 14.247 45.793 -6.032 408 2H6 A 197 2H6 A 197 14.677 44.119 -6.300 409 H2 A 197 H2 A 197 12.238 46.051 -2.077 410 1H5* U 198 1H5* U 198 13.042 35.555 2.222 411 2H5* U 198 2H5* U 198 14.727 35.191 1.853 412 H4* U 198 H4* U 198 13.421 32.887 1.071 413 H3* U 198 H3* U 198 11.921 34.081 3.387 414 H2* U 198 H2* U 198 11.822 32.008 4.447 415 2HO* U 198 2HO* U 198 11.087 30.843 2.683 416 H1* U 198 H1* U 198 14.434 31.268 3.309 417 H3 U 198 H3 U 198 16.391 30.766 7.293 418 H5 U 198 H5 U 198 13.329 33.492 8.144 419 H6 U 198 H6 U 198 12.767 33.456 5.758 420 1H5* G 199 1H5* G 199 8.498 32.224 1.617 421 2H5* G 199 2H5* G 199 8.448 31.832 -0.101 422 H4* G 199 H4* G 199 6.844 34.152 0.305 423 H3* G 199 H3* G 199 6.497 32.097 2.454 424 H2* G 199 H2* G 199 4.128 32.272 2.296 425 2HO* G 199 2HO* G 199 3.561 34.283 1.715 426 H1* G 199 H1* G 199 4.113 31.958 -0.476 427 H8 G 199 H8 G 199 6.709 29.902 1.357 428 H1 G 199 H1 G 199 0.971 26.989 0.673 429 1H2 G 199 1H2 G 199 -0.394 28.329 -0.101 430 2H2 G 199 2H2 G 199 -0.036 29.992 -0.505 431 1H5* A 200 1H5* A 200 6.145 36.034 6.035 432 2H5* A 200 2H5* A 200 7.780 36.649 5.789 433 H4* A 200 H4* A 200 7.261 35.562 8.029 434 H3* A 200 H3* A 200 9.647 34.838 6.344 435 H2* A 200 H2* A 200 10.426 33.421 8.084 436 2HO* A 200 2HO* A 200 8.154 34.131 9.648 437 H1* A 200 H1* A 200 7.929 32.199 8.450 438 H8 A 200 H8 A 200 8.657 32.864 4.830 439 1H6 A 200 1H6 A 200 11.461 27.290 4.723 440 2H6 A 200 2H6 A 200 10.910 28.619 3.728 441 H2 A 200 H2 A 200 10.482 28.272 8.944 442 1H5* C 201 1H5* C 201 12.902 36.673 10.897 443 2H5* C 201 2H5* C 201 13.014 35.487 9.597 444 H4* C 201 H4* C 201 10.504 35.680 11.231 445 H3* C 201 H3* C 201 13.090 34.393 12.123 446 H2* C 201 H2* C 201 11.828 32.740 13.218 447 2HO* C 201 2HO* C 201 9.883 33.390 14.012 448 H1* C 201 H1* C 201 9.868 32.758 11.063 449 1H4 C 201 1H4 C 201 12.647 27.009 10.769 450 2H4 C 201 2H4 C 201 14.016 27.736 9.959 451 H5 C 201 H5 C 201 14.267 30.061 9.628 452 H6 C 201 H6 C 201 13.255 32.283 9.997 453 1H5* C 202 1H5* C 202 11.093 35.436 15.993 454 2H5* C 202 2H5* C 202 12.349 35.470 17.230 455 H4* C 202 H4* C 202 10.646 33.696 17.559 456 H3* C 202 H3* C 202 13.543 32.901 17.222 457 H2* C 202 H2* C 202 12.948 30.698 17.821 458 2HO* C 202 2HO* C 202 11.005 30.412 18.965 459 H1* C 202 H1* C 202 10.517 30.862 16.273 460 1H4 C 202 1H4 C 202 14.393 26.897 13.077 461 2H4 C 202 2H4 C 202 15.136 28.289 12.322 462 H5 C 202 H5 C 202 14.642 30.523 12.906 463 H6 C 202 H6 C 202 13.301 31.986 14.375 464 1H5* C 203 1H5* C 203 12.916 31.988 21.759 465 2H5* C 203 2H5* C 203 14.579 32.054 22.340 466 H4* C 203 H4* C 203 13.452 29.854 22.654 467 H3* C 203 H3* C 203 16.008 30.038 21.065 468 H2* C 203 H2* C 203 16.085 27.664 20.993 469 2HO* C 203 2HO* C 203 13.849 26.963 22.274 470 H1* C 203 H1* C 203 13.347 27.481 20.284 471 1H4 C 203 1H4 C 203 16.554 26.792 14.799 472 2H4 C 203 2H4 C 203 16.652 28.534 14.663 473 H5 C 203 H5 C 203 15.921 30.027 16.340 474 H6 C 203 H6 C 203 14.903 30.219 18.581 475 1H5* U 204 1H5* U 204 16.049 27.615 24.313 476 2H5* U 204 2H5* U 204 17.456 27.369 25.348 477 H4* U 204 H4* U 204 16.636 25.245 24.564 478 H3* U 204 H3* U 204 19.311 26.110 23.499 479 H2* U 204 H2* U 204 19.549 24.008 22.404 480 2HO* U 204 2HO* U 204 18.526 22.896 24.170 481 H1* U 204 H1* U 204 17.012 24.128 21.243 482 H3 U 204 H3 U 204 20.251 24.764 18.017 483 H5 U 204 H5 U 204 19.342 28.572 19.506 484 H6 U 204 H6 U 204 18.054 27.465 21.274 485 1H5* A 205 1H5* A 205 20.918 23.513 27.156 486 2H5* A 205 2H5* A 205 22.573 24.113 27.243 487 H4* A 205 H4* A 205 22.203 21.785 26.271 488 H3* A 205 H3* A 205 23.877 23.908 24.949 489 H2* A 205 H2* A 205 24.522 22.343 23.283 490 2HO* A 205 2HO* A 205 23.227 20.132 23.915 491 H1* A 205 H1* A 205 21.902 21.458 22.837 492 H8 A 205 H8 A 205 21.670 25.095 23.360 493 1H6 A 205 1H6 A 205 23.344 25.846 17.394 494 2H6 A 205 2H6 A 205 22.715 26.669 18.805 495 H2 A 205 H2 A 205 23.993 21.590 18.496 496 1H5* G 206 1H5* G 206 26.399 22.819 22.786 497 2H5* G 206 2H5* G 206 27.873 22.812 23.756 498 H4* G 206 H4* G 206 26.523 25.216 22.511 499 H3* G 206 H3* G 206 28.898 23.581 21.749 500 H2* G 206 H2* G 206 30.143 25.516 21.129 501 2HO* G 206 2HO* G 206 28.438 27.473 21.882 502 H1* G 206 H1* G 206 29.642 26.825 23.541 503 H8 G 206 H8 G 206 30.153 23.053 23.629 504 H1 G 206 H1 G 206 35.500 26.557 24.631 505 1H2 G 206 1H2 G 206 35.080 28.555 24.338 506 2H2 G 206 2H2 G 206 33.512 29.186 23.889 507 1H5* U 207 1H5* U 207 26.388 24.608 17.236 508 2H5* U 207 2H5* U 207 27.776 24.820 16.169 509 H4* U 207 H4* U 207 25.900 26.536 16.021 510 H3* U 207 H3* U 207 28.809 27.256 16.286 511 H2* U 207 H2* U 207 28.253 29.552 16.046 512 2HO* U 207 2HO* U 207 25.498 28.953 15.837 513 H1* U 207 H1* U 207 26.172 29.439 17.913 514 H3 U 207 H3 U 207 29.153 31.705 20.397 515 H5 U 207 H5 U 207 30.962 27.953 19.956 516 H6 U 207 H6 U 207 29.117 27.350 18.458 517 1H5* A 208 1H5* A 208 29.520 28.905 11.229 518 2H5* A 208 2H5* A 208 28.038 28.589 10.325 519 H4* A 208 H4* A 208 29.848 27.521 9.197 520 H3* A 208 H3* A 208 27.880 25.715 10.529 521 H2* A 208 H2* A 208 29.080 23.776 9.853 522 2HO* A 208 2HO* A 208 30.260 24.041 8.043 523 H1* A 208 H1* A 208 31.533 24.754 10.777 524 H8 A 208 H8 A 208 28.220 25.286 12.632 525 1H6 A 208 1H6 A 208 30.145 20.673 16.369 526 2H6 A 208 2H6 A 208 28.872 21.844 16.101 527 H2 A 208 H2 A 208 33.156 21.197 13.143 528 1H5* G 209 1H5* G 209 27.089 24.413 7.124 529 2H5* G 209 2H5* G 209 25.422 23.931 6.809 530 H4* G 209 H4* G 209 26.791 22.192 7.932 531 H3* G 209 H3* G 209 24.266 23.212 9.197 532 H2* G 209 H2* G 209 24.489 21.606 10.942 533 2HO* G 209 2HO* G 209 26.855 20.482 10.323 534 H1* G 209 H1* G 209 27.154 22.283 11.448 535 H8 G 209 H8 G 209 25.286 25.389 10.621 536 H1 G 209 H1 G 209 24.456 23.475 16.747 537 1H2 G 209 1H2 G 209 25.221 21.575 16.984 538 2H2 G 209 2H2 G 209 25.975 20.639 15.712 539 1H5* A 210 1H5* A 210 24.321 18.981 9.959 540 2H5* A 210 2H5* A 210 22.792 18.428 9.275 541 H4* A 210 H4* A 210 22.949 17.617 11.512 542 H3* A 210 H3* A 210 20.945 19.834 11.141 543 H2* A 210 H2* A 210 20.234 19.539 13.387 544 2HO* A 210 2HO* A 210 21.222 17.652 14.511 545 H1* A 210 H1* A 210 22.856 19.489 14.393 546 H8 A 210 H8 A 210 22.411 22.014 11.651 547 1H6 A 210 1H6 A 210 20.738 26.046 16.112 548 2H6 A 210 2H6 A 210 21.130 25.893 14.414 549 H2 A 210 H2 A 210 21.061 22.008 17.938 550 1H5* G 211 1H5* G 211 18.827 16.257 12.620 551 2H5* G 211 2H5* G 211 17.162 16.248 12.037 552 H4* G 211 H4* G 211 17.384 16.182 14.512 553 H3* G 211 H3* G 211 15.837 18.377 13.164 554 H2* G 211 H2* G 211 15.168 19.207 15.295 555 2HO* G 211 2HO* G 211 16.713 17.266 16.642 556 H1* G 211 H1* G 211 17.771 19.206 16.302 557 H8 G 211 H8 G 211 18.114 20.223 12.787 558 H1 G 211 H1 G 211 15.859 25.002 16.524 559 1H2 G 211 1H2 G 211 15.305 24.239 18.358 560 2H2 G 211 2H2 G 211 15.433 22.555 18.816 561 1H5* G 212 1H5* G 212 12.427 16.519 15.829 562 2H5* G 212 2H5* G 212 11.245 16.385 14.528 563 H4* G 212 H4* G 212 10.319 17.563 16.443 564 H3* G 212 H3* G 212 10.647 19.103 13.882 565 H2* G 212 H2* G 212 9.545 20.970 14.872 566 2HO* G 212 2HO* G 212 8.901 20.450 17.244 567 H1* G 212 H1* G 212 11.149 20.921 17.156 568 H8 G 212 H8 G 212 13.139 20.024 14.114 569 H1 G 212 H1 G 212 12.519 26.400 15.031 570 1H2 G 212 1H2 G 212 11.141 26.751 16.523 571 2H2 G 212 2H2 G 212 10.282 25.503 17.398 572 1H5* G 213 1H5* G 213 5.842 19.111 14.289 573 2H5* G 213 2H5* G 213 5.530 19.102 12.554 574 H4* G 213 H4* G 213 4.483 20.992 13.803 575 H3* G 213 H3* G 213 6.329 21.482 11.483 576 H2* G 213 H2* G 213 5.875 23.818 11.621 577 2HO* G 213 2HO* G 213 4.061 24.440 12.771 578 H1* G 213 H1* G 213 6.376 23.924 14.366 579 H8 G 213 H8 G 213 8.806 21.529 12.950 580 H1 G 213 H1 G 213 10.475 27.694 11.906 581 1H2 G 213 1H2 G 213 8.888 28.925 12.369 582 2H2 G 213 2H2 G 213 7.335 28.370 12.953 583 1H5* G 214 1H5* G 214 4.866 24.689 9.869 584 2H5* G 214 2H5* G 214 4.592 24.066 8.243 585 H4* G 214 H4* G 214 6.482 25.698 8.474 586 H3* G 214 H3* G 214 6.871 22.975 7.264 587 H2* G 214 H2* G 214 9.122 23.538 6.729 588 2HO* G 214 2HO* G 214 9.428 25.961 7.752 589 H1* G 214 H1* G 214 9.683 24.471 9.301 590 H8 G 214 H8 G 214 7.486 21.575 9.818 591 H1 G 214 H1 G 214 13.519 19.828 8.255 592 1H2 G 214 1H2 G 214 14.558 21.473 7.576 593 2H2 G 214 2H2 G 214 13.895 23.087 7.449 594 1H5* G 215 1H5* G 215 8.027 25.677 2.912 595 2H5* G 215 2H5* G 215 6.687 24.676 2.354 596 H4* G 215 H4* G 215 8.759 24.521 0.975 597 H3* G 215 H3* G 215 7.506 22.080 2.197 598 H2* G 215 H2* G 215 9.096 20.703 1.077 599 2HO* G 215 2HO* G 215 9.583 21.633 -0.826 600 H1* G 215 H1* G 215 11.275 22.209 1.943 601 H8 G 215 H8 G 215 8.943 22.243 4.779 602 H1 G 215 H1 G 215 12.037 16.587 4.215 603 1H2 G 215 1H2 G 215 12.988 16.502 2.387 604 2H2 G 215 2H2 G 215 12.953 17.774 1.186 605 1H5* C 216 1H5* C 216 5.505 21.642 -2.061 606 2H5* C 216 2H5* C 216 4.037 20.773 -1.614 607 H4* C 216 H4* C 216 5.796 19.490 -2.921 608 H3* C 216 H3* C 216 4.583 18.463 -0.361 609 H2* C 216 H2* C 216 5.721 16.404 -0.683 610 2HO* C 216 2HO* C 216 6.743 17.487 -3.129 611 H1* C 216 H1* C 216 8.163 17.666 -1.296 612 1H4 C 216 1H4 C 216 8.469 16.108 4.909 613 2H4 C 216 2H4 C 216 7.798 17.678 5.293 614 H5 C 216 H5 C 216 7.009 19.203 3.672 615 H6 C 216 H6 C 216 6.667 19.603 1.259 616 1H5* U 217 1H5* U 217 4.191 15.776 -3.192 617 2H5* U 217 2H5* U 217 2.673 14.917 -3.451 618 H4* U 217 H4* U 217 4.317 13.263 -3.130 619 H3* U 217 H3* U 217 2.587 13.645 -0.700 620 H2* U 217 H2* U 217 3.676 11.799 0.343 621 2HO* U 217 2HO* U 217 5.299 10.691 -1.071 622 H1* U 217 H1* U 217 6.232 12.784 -0.237 623 H3 U 217 H3 U 217 5.965 13.435 4.232 624 H5 U 217 H5 U 217 3.454 16.390 2.649 625 H6 U 217 H6 U 217 3.790 15.357 0.450 626 1H5* G 218 1H5* G 218 0.076 9.413 -2.294 627 2H5* G 218 2H5* G 218 -0.230 8.874 -0.644 628 H4* G 218 H4* G 218 1.215 7.234 -1.021 629 H3* G 218 H3* G 218 3.139 9.541 -0.885 630 H2* G 218 H2* G 218 4.915 8.126 -1.512 631 2HO* G 218 2HO* G 218 4.619 6.224 -0.502 632 H1* G 218 H1* G 218 3.283 6.782 -3.466 633 H8 G 218 H8 G 218 3.164 10.488 -3.777 634 H1 G 218 H1 G 218 8.289 7.841 -6.712 635 1H2 G 218 1H2 G 218 8.447 5.858 -6.168 636 2H2 G 218 2H2 G 218 7.353 5.036 -5.079 637 1H5* C 219 1H5* C 219 4.282 6.767 2.034 638 2H5* C 219 2H5* C 219 3.755 5.404 3.022 639 H4* C 219 H4* C 219 4.827 6.606 4.617 640 H3* C 219 H3* C 219 1.991 7.556 4.606 641 H2* C 219 H2* C 219 2.455 9.235 6.189 642 2HO* C 219 2HO* C 219 4.301 8.974 7.476 643 H1* C 219 H1* C 219 4.848 10.074 4.989 644 1H4 C 219 1H4 C 219 0.036 13.855 2.950 645 2H4 C 219 2H4 C 219 0.227 13.068 1.399 646 H5 C 219 H5 C 219 1.621 11.196 1.037 647 H6 C 219 H6 C 219 3.191 9.603 2.083 648 1H5* G 220 1H5* G 220 4.885 3.577 6.561 649 2H5* G 220 2H5* G 220 4.989 5.310 6.251 650 H4* G 220 H4* G 220 6.522 3.128 5.125 651 H3* G 220 H3* G 220 6.790 6.140 5.177 652 H2* G 220 H2* G 220 8.522 5.965 3.622 653 2HO* G 220 2HO* G 220 8.478 3.156 4.252 654 H1* G 220 H1* G 220 7.219 3.612 2.425 655 H8 G 220 H8 G 220 6.871 4.223 0.006 656 H1 G 220 H1 G 220 6.792 10.566 1.290 657 1H2 G 220 1H2 G 220 6.893 10.858 3.329 658 2H2 G 220 2H2 G 220 6.984 9.574 4.514 659 1H5* G 221 1H5* G 221 10.281 5.018 6.238 660 2H5* G 221 2H5* G 221 11.385 6.165 6.997 661 H4* G 221 H4* G 221 11.113 5.838 4.328 662 H3* G 221 H3* G 221 12.025 8.220 5.929 663 H2* G 221 H2* G 221 12.372 9.418 3.910 664 2HO* G 221 2HO* G 221 13.185 7.852 2.584 665 H1* G 221 H1* G 221 9.892 8.711 2.831 666 H8 G 221 H8 G 221 9.882 9.375 6.555 667 H1 G 221 H1 G 221 8.857 14.614 2.897 668 1H2 G 221 1H2 G 221 9.159 14.140 0.914 669 2H2 G 221 2H2 G 221 9.622 12.557 0.328 670 1H5* C 222 1H5* C 222 15.672 8.201 3.342 671 2H5* C 222 2H5* C 222 16.725 9.126 4.413 672 H4* C 222 H4* C 222 15.710 10.158 2.201 673 H3* C 222 H3* C 222 16.149 11.578 4.833 674 H2* C 222 H2* C 222 15.543 13.595 3.771 675 2HO* C 222 2HO* C 222 15.153 12.805 1.230 676 H1* C 222 H1* C 222 13.437 12.311 2.298 677 1H4 C 222 1H4 C 222 10.607 15.801 6.865 678 2H4 C 222 2H4 C 222 10.747 14.426 7.940 679 H5 C 222 H5 C 222 11.914 12.446 7.398 680 H6 C 222 H6 C 222 13.245 11.283 5.674 681 1H5* U 223 1H5* U 223 17.060 14.629 2.521 682 2H5* U 223 2H5* U 223 18.743 14.999 2.897 683 H4* U 223 H4* U 223 17.482 16.972 3.268 684 H3* U 223 H3* U 223 18.372 15.612 5.797 685 H2* U 223 H2* U 223 17.373 17.276 7.096 686 2HO* U 223 2HO* U 223 16.646 18.990 5.059 687 H1* U 223 H1* U 223 15.200 17.566 5.157 688 H3 U 223 H3 U 223 13.049 17.184 9.160 689 H5 U 223 H5 U 223 14.465 13.326 8.350 690 H6 U 223 H6 U 223 15.702 14.283 6.461 691 1H5* U 224 1H5* U 224 20.730 18.344 2.068 692 2H5* U 224 2H5* U 224 19.166 18.021 2.814 693 H4* U 224 H4* U 224 20.026 16.426 0.424 694 H3* U 224 H3* U 224 19.371 19.316 0.377 695 H2* U 224 H2* U 224 17.738 19.099 -1.318 696 2HO* U 224 2HO* U 224 17.973 16.331 -1.559 697 H1* U 224 H1* U 224 16.374 17.011 -0.151 698 H3 U 224 H3 U 224 13.506 20.143 1.243 699 H5 U 224 H5 U 224 17.082 21.325 3.074 700 H6 U 224 H6 U 224 18.179 19.471 1.903 701 1H5* A 225 1H5* A 225 20.197 18.459 -4.039 702 2H5* A 225 2H5* A 225 20.521 20.069 -4.680 703 H4* A 225 H4* A 225 18.429 18.914 -5.507 704 H3* A 225 H3* A 225 18.367 21.695 -4.336 705 H2* A 225 H2* A 225 16.098 21.872 -4.998 706 2HO* A 225 2HO* A 225 15.471 19.673 -6.206 707 H1* A 225 H1* A 225 15.482 19.264 -4.059 708 H8 A 225 H8 A 225 17.603 21.233 -1.681 709 1H6 A 225 1H6 A 225 12.279 23.421 0.732 710 2H6 A 225 2H6 A 225 14.013 23.353 0.953 711 H2 A 225 H2 A 225 11.304 21.167 -2.971 712 1H5* G 226 1H5* G 226 17.217 21.235 -8.258 713 2H5* G 226 2H5* G 226 17.302 22.495 -9.488 714 H4* G 226 H4* G 226 15.037 21.698 -9.277 715 H3* G 226 H3* G 226 15.543 24.519 -8.365 716 H2* G 226 H2* G 226 13.204 24.813 -8.024 717 2HO* G 226 2HO* G 226 12.487 23.615 -9.785 718 H1* G 226 H1* G 226 12.961 22.438 -6.558 719 H8 G 226 H8 G 226 16.170 23.870 -5.508 720 H1 G 226 H1 G 226 11.134 26.971 -2.881 721 1H2 G 226 1H2 G 226 9.398 26.399 -3.836 722 2H2 G 226 2H2 G 226 9.319 25.250 -5.153 723 1H5* G 227 1H5* G 227 13.429 26.078 -11.589 724 2H5* G 227 2H5* G 227 13.806 24.576 -12.432 725 H4* G 227 H4* G 227 12.966 26.087 -14.048 726 H3* G 227 H3* G 227 15.926 25.637 -14.217 727 H2* G 227 H2* G 227 16.056 27.047 -16.134 728 2HO* G 227 2HO* G 227 14.076 27.662 -17.116 729 H1* G 227 H1* G 227 14.645 29.123 -14.915 730 H8 G 227 H8 G 227 16.778 27.546 -12.323 731 H1 G 227 H1 G 227 20.040 31.623 -16.147 732 1H2 G 227 1H2 G 227 18.867 32.140 -17.763 733 2H2 G 227 2H2 G 227 17.242 31.556 -18.040 734 1H5* A 228 1H5* A 228 14.293 24.777 -18.237 735 2H5* A 228 2H5* A 228 15.106 23.332 -18.838 736 H4* A 228 H4* A 228 15.279 25.157 -20.430 737 H3* A 228 H3* A 228 17.803 24.149 -19.164 738 H2* A 228 H2* A 228 19.099 25.654 -20.468 739 2HO* A 228 2HO* A 228 17.070 26.962 -21.749 740 H1* A 228 H1* A 228 17.467 27.854 -19.857 741 H8 A 228 H8 A 228 17.739 25.917 -16.745 742 1H6 A 228 1H6 A 228 23.287 28.612 -15.788 743 2H6 A 228 2H6 A 228 22.038 27.636 -15.047 744 H2 A 228 H2 A 228 22.005 29.509 -19.946 745 1H5* G 229 1H5* G 229 18.408 24.047 -23.580 746 2H5* G 229 2H5* G 229 19.087 22.457 -23.927 747 H4* G 229 H4* G 229 20.425 24.145 -24.988 748 H3* G 229 H3* G 229 21.712 22.700 -22.691 749 H2* G 229 H2* G 229 23.754 23.858 -23.104 750 2HO* G 229 2HO* G 229 24.012 24.701 -25.126 751 H1* G 229 H1* G 229 22.520 26.360 -23.176 752 H8 G 229 H8 G 229 20.754 24.447 -20.568 753 H1 G 229 H1 G 229 26.498 26.655 -18.566 754 1H2 G 229 1H2 G 229 27.573 27.345 -20.185 755 2H2 G 229 2H2 G 229 27.002 27.327 -21.839 756 1H5* G 230 1H5* G 230 24.446 22.365 -26.186 757 2H5* G 230 2H5* G 230 25.073 20.717 -26.165 758 H4* G 230 H4* G 230 26.872 22.352 -26.268 759 H3* G 230 H3* G 230 26.679 20.622 -23.820 760 H2* G 230 H2* G 230 28.708 21.559 -22.992 761 2HO* G 230 2HO* G 230 29.247 23.422 -24.849 762 H1* G 230 H1* G 230 27.859 24.187 -23.394 763 H8 G 230 H8 G 230 24.866 22.340 -22.301 764 H1 G 230 H1 G 230 28.873 23.686 -17.400 765 1H2 G 230 1H2 G 230 30.679 24.340 -18.147 766 2H2 G 230 2H2 G 230 31.054 24.499 -19.848 767 1H5* G 231 1H5* G 231 30.973 20.208 -25.340 768 2H5* G 231 2H5* G 231 31.185 18.459 -25.267 769 H4* G 231 H4* G 231 33.017 19.593 -24.159 770 H3* G 231 H3* G 231 31.193 17.924 -22.454 771 H2* G 231 H2* G 231 32.580 18.331 -20.561 772 2HO* G 231 2HO* G 231 34.414 20.009 -21.481 773 H1* G 231 H1* G 231 32.614 21.092 -20.964 774 H8 G 231 H8 G 231 29.228 19.914 -21.880 775 H1 G 231 H1 G 231 30.063 20.423 -15.483 776 1H2 G 231 1H2 G 231 32.064 20.699 -15.070 777 2H2 G 231 2H2 G 231 33.329 20.781 -16.276 778 1H5* C 232 1H5* C 232 35.146 16.706 -21.554 779 2H5* C 232 2H5* C 232 35.252 14.948 -21.483 780 H4* C 232 H4* C 232 36.094 15.878 -19.438 781 H3* C 232 H3* C 232 33.495 14.388 -19.226 782 H2* C 232 H2* C 232 33.511 14.675 -16.867 783 2HO* C 232 2HO* C 232 35.679 16.097 -16.384 784 H1* C 232 H1* C 232 34.139 17.424 -17.069 785 1H4 C 232 1H4 C 232 27.816 17.262 -16.183 786 2H4 C 232 2H4 C 232 27.599 16.935 -17.887 787 H5 C 232 H5 C 232 29.379 16.555 -19.392 788 H6 C 232 H6 C 232 31.832 16.393 -19.633 789 1H5* A 233 1H5* A 233 36.397 12.404 -16.515 790 2H5* A 233 2H5* A 233 36.035 10.681 -16.446 791 H4* A 233 H4* A 233 36.007 11.729 -14.233 792 H3* A 233 H3* A 233 33.476 10.503 -15.287 793 H2* A 233 H2* A 233 32.389 10.951 -13.221 794 2HO* A 233 2HO* A 233 34.193 12.203 -11.769 795 H1* A 233 H1* A 233 33.290 13.611 -13.137 796 H8 A 233 H8 A 233 32.396 12.865 -16.642 797 1H6 A 233 1H6 A 233 26.461 14.075 -15.139 798 2H6 A 233 2H6 A 233 27.556 13.792 -16.474 799 H2 A 233 H2 A 233 28.825 13.840 -11.385 800 1H5* G 234 1H5* G 234 34.010 8.963 -11.235 801 2H5* G 234 2H5* G 234 33.965 7.210 -11.415 802 H4* G 234 H4* G 234 32.504 7.774 -9.637 803 H3* G 234 H3* G 234 31.086 6.966 -12.158 804 H2* G 234 H2* G 234 28.993 7.113 -11.028 805 2HO* G 234 2HO* G 234 29.680 6.323 -9.036 806 H1* G 234 H1* G 234 29.526 9.655 -10.009 807 H8 G 234 H8 G 234 30.973 9.457 -13.424 808 H1 G 234 H1 G 234 24.599 10.576 -13.426 809 1H2 G 234 1H2 G 234 23.850 10.294 -11.525 810 2H2 G 234 2H2 G 234 24.806 9.825 -10.138 811 1H GLY 15 1H GLY 15 2.702 -1.694 -1.918 812 1HA GLY 15 1HA GLY 15 5.129 -2.157 -1.695 813 2HA GLY 15 2HA GLY 15 4.751 -1.471 -3.267 814 H ARG 16 H ARG 16 7.206 -1.372 -1.565 815 HA ARG 16 HA ARG 16 7.608 1.127 -0.423 816 1HB ARG 16 2HB ARG 16 9.362 -0.967 -1.582 817 2HB ARG 16 3HB ARG 16 10.069 0.630 -1.377 818 1HG ARG 16 2HG ARG 16 10.222 0.401 0.836 819 2HG ARG 16 3HG ARG 16 8.604 -0.293 0.968 820 1HD ARG 16 2HD ARG 16 9.825 -2.358 -0.175 821 2HD ARG 16 3HD ARG 16 11.230 -1.628 0.601 822 HE ARG 16 HE ARG 16 8.961 -1.963 2.344 823 1HH1 ARG 16 2HH1 ARG 16 11.831 -3.439 1.038 824 2HH1 ARG 16 1HH1 ARG 16 12.012 -4.555 2.351 825 1HH2 ARG 16 2HH2 ARG 16 9.190 -3.427 4.079 826 2HH2 ARG 16 1HH2 ARG 16 10.508 -4.547 4.079 827 H ALA 17 H ALA 17 8.791 0.171 -3.650 828 HA ALA 17 HA ALA 17 9.045 1.340 -5.587 829 1HB ALA 17 1HB ALA 17 7.460 3.070 -6.126 830 2HB ALA 17 2HB ALA 17 6.624 1.765 -5.283 831 3HB ALA 17 3HB ALA 17 7.025 3.254 -4.427 832 H ARG 18 H ARG 18 10.358 2.139 -2.875 833 HA ARG 18 HA ARG 18 11.005 4.881 -3.052 834 1HB ARG 18 2HB ARG 18 11.303 3.207 -1.083 835 2HB ARG 18 3HB ARG 18 12.851 2.849 -1.838 836 1HG ARG 18 2HG ARG 18 13.772 4.700 -1.029 837 2HG ARG 18 3HG ARG 18 12.422 5.698 -1.572 838 1HD ARG 18 2HD ARG 18 12.245 5.971 0.695 839 2HD ARG 18 3HD ARG 18 11.200 4.571 0.465 840 HE ARG 18 HE ARG 18 12.642 3.375 1.757 841 1HH1 ARG 18 2HH1 ARG 18 14.357 6.096 0.422 842 2HH1 ARG 18 1HH1 ARG 18 15.823 5.761 1.283 843 1HH2 ARG 18 2HH2 ARG 18 14.566 2.924 2.896 844 2HH2 ARG 18 1HH2 ARG 18 15.941 3.956 2.689 845 H GLY 19 H GLY 19 11.584 5.333 -5.195 846 1HA GLY 19 1HA GLY 19 14.050 5.743 -5.983 847 2HA GLY 19 2HA GLY 19 13.975 4.007 -6.252 848 H LEU 20 H LEU 20 10.942 4.811 -6.832 849 HA LEU 20 HA LEU 20 11.449 5.443 -9.665 850 1HB LEU 20 2HB LEU 20 9.790 3.405 -8.361 851 2HB LEU 20 3HB LEU 20 8.987 4.283 -9.660 852 HG LEU 20 HG LEU 20 11.665 3.269 -10.326 853 1HD1 LEU 20 1HD1 LEU 20 9.485 1.236 -10.260 854 2HD1 LEU 20 2HD1 LEU 20 10.459 1.514 -8.816 855 3HD1 LEU 20 3HD1 LEU 20 11.234 1.012 -10.319 856 1HD2 LEU 20 1HD2 LEU 20 10.167 4.342 -11.944 857 2HD2 LEU 20 2HD2 LEU 20 8.974 3.070 -11.676 858 3HD2 LEU 20 3HD2 LEU 20 10.536 2.677 -12.396 859 H CYS 21 H CYS 21 10.711 7.429 -10.319 860 HA CYS 21 HA CYS 21 9.188 9.020 -8.624 861 1HB CYS 21 2HB CYS 21 10.652 9.973 -10.319 862 2HB CYS 21 3HB CYS 21 9.700 9.260 -11.606 863 H TYR 22 H TYR 22 7.009 9.490 -8.628 864 HA TYR 22 HA TYR 22 5.273 7.618 -10.092 865 1HB TYR 22 2HB TYR 22 5.263 7.532 -7.571 866 2HB TYR 22 3HB TYR 22 4.583 9.156 -7.584 867 HD1 TYR 22 HD1 TYR 22 3.793 6.315 -9.850 868 HD2 TYR 22 HD2 TYR 22 2.434 8.847 -6.712 869 HE1 TYR 22 HE1 TYR 22 1.536 5.362 -10.066 870 HE2 TYR 22 HE2 TYR 22 0.174 7.899 -6.920 871 HH TYR 22 HH TYR 22 -0.743 5.891 -9.553 872 H THR 23 H THR 23 6.223 9.928 -11.374 873 HA THR 23 HA THR 23 3.686 11.321 -11.826 874 HB THR 23 HB THR 23 6.333 12.710 -11.382 875 HG1 THR 23 HG1 THR 23 3.837 12.739 -10.013 876 1HG2 THR 23 1HG2 THR 23 3.703 13.776 -12.406 877 2HG2 THR 23 2HG2 THR 23 5.264 13.799 -13.227 878 3HG2 THR 23 3HG2 THR 23 5.004 14.795 -11.796 879 H CYS 24 H CYS 24 7.108 10.900 -12.981 880 HA CYS 24 HA CYS 24 6.025 11.185 -15.686 881 1HB CYS 24 2HB CYS 24 8.298 11.771 -16.394 882 2HB CYS 24 3HB CYS 24 7.715 12.866 -15.158 883 H GLY 25 H GLY 25 7.975 9.308 -13.442 884 1HA GLY 25 1HA GLY 25 7.889 6.893 -13.503 885 2HA GLY 25 2HA GLY 25 7.777 6.990 -15.254 886 H SER 26 H SER 26 10.017 8.930 -13.398 887 HA SER 26 HA SER 26 12.226 7.533 -14.726 888 1HB SER 26 2HB SER 26 11.823 10.117 -14.805 889 2HB SER 26 3HB SER 26 12.552 10.097 -13.200 890 HG SER 26 HG SER 26 14.093 10.415 -14.883 891 HA PRO 27 HA PRO 27 13.083 5.606 -10.794 892 1HB PRO 27 2HB PRO 27 15.241 4.202 -11.655 893 2HB PRO 27 3HB PRO 27 13.578 3.715 -12.002 894 1HG PRO 27 2HG PRO 27 15.525 5.176 -13.743 895 2HG PRO 27 3HG PRO 27 14.417 3.858 -14.166 896 1HD PRO 27 2HD PRO 27 13.876 6.451 -14.726 897 2HD PRO 27 3HD PRO 27 12.605 5.272 -14.349 898 H GLY 28 H GLY 28 13.770 7.350 -9.551 899 1HA GLY 28 1HA GLY 28 16.334 7.497 -8.662 900 2HA GLY 28 2HA GLY 28 16.320 8.609 -10.023 901 H HIS 29 H HIS 29 14.400 10.192 -9.963 902 HA HIS 29 HA HIS 29 14.430 11.431 -7.324 903 1HB HIS 29 2HB HIS 29 13.664 13.432 -8.420 904 2HB HIS 29 3HB HIS 29 14.976 12.751 -9.379 905 HD1 HIS 29 HD1 HIS 29 14.501 12.400 -11.795 906 HD2 HIS 29 HD2 HIS 29 11.023 12.830 -9.563 907 HE1 HIS 29 HE1 HIS 29 12.629 12.468 -13.473 908 H TYR 30 H TYR 30 12.322 12.617 -6.728 909 HA TYR 30 HA TYR 30 10.088 10.726 -7.072 910 1HB TYR 30 2HB TYR 30 11.269 11.931 -4.711 911 2HB TYR 30 3HB TYR 30 9.546 12.279 -4.813 912 HD1 TYR 30 HD1 TYR 30 11.762 9.325 -5.439 913 HD2 TYR 30 HD2 TYR 30 8.208 10.823 -3.641 914 HE1 TYR 30 HE1 TYR 30 11.264 7.079 -4.567 915 HE2 TYR 30 HE2 TYR 30 7.701 8.582 -2.764 916 HH TYR 30 HH TYR 30 8.248 6.233 -3.290 917 H GLN 31 H GLN 31 7.913 11.870 -6.522 918 HA GLN 31 HA GLN 31 7.297 13.643 -8.543 919 1HB GLN 31 2HB GLN 31 5.534 12.451 -7.473 920 2HB GLN 31 3HB GLN 31 5.935 13.132 -5.902 921 1HG GLN 31 2HG GLN 31 5.167 15.301 -6.586 922 2HG GLN 31 3HG GLN 31 4.909 14.732 -8.234 923 1HE2 GLN 31 1HE2 GLN 31 3.580 12.477 -8.040 924 2HE2 GLN 31 2HE2 GLN 31 2.084 12.673 -7.198 925 H ALA 32 H ALA 32 8.212 14.337 -5.201 926 HA ALA 32 HA ALA 32 7.744 17.102 -5.231 927 1HB ALA 32 1HB ALA 32 9.029 17.216 -3.249 928 2HB ALA 32 2HB ALA 32 8.218 15.649 -3.222 929 3HB ALA 32 3HB ALA 32 9.924 15.752 -3.658 930 H GLN 33 H GLN 33 10.248 15.202 -6.651 931 HA GLN 33 HA GLN 33 11.707 17.663 -7.355 932 1HB GLN 33 2HB GLN 33 12.671 14.940 -6.608 933 2HB GLN 33 3HB GLN 33 13.605 15.864 -7.777 934 1HG GLN 33 2HG GLN 33 14.544 17.031 -6.156 935 2HG GLN 33 3HG GLN 33 12.963 17.551 -5.575 936 1HE2 GLN 33 1HE2 GLN 33 15.058 14.687 -5.531 937 2HE2 GLN 33 2HE2 GLN 33 14.738 14.268 -3.886 938 H CYS 34 H CYS 34 9.384 16.035 -8.697 939 HA CYS 34 HA CYS 34 10.587 14.958 -11.022 940 1HB CYS 34 2HB CYS 34 8.368 14.245 -10.102 941 2HB CYS 34 3HB CYS 34 7.697 15.785 -10.602 942 HA PRO 35 HA PRO 35 11.331 18.920 -12.938 943 1HB PRO 35 2HB PRO 35 12.105 17.931 -15.345 944 2HB PRO 35 3HB PRO 35 13.145 17.904 -13.915 945 1HG PRO 35 2HG PRO 35 11.461 15.718 -15.074 946 2HG PRO 35 3HG PRO 35 13.115 15.639 -14.437 947 1HD PRO 35 2HD PRO 35 10.961 14.839 -13.004 948 2HD PRO 35 3HD PRO 35 12.401 15.551 -12.247 949 H LYS 36 H LYS 36 8.991 16.593 -13.844 950 HA LYS 36 HA LYS 36 7.875 18.301 -15.943 951 1HB LYS 36 2HB LYS 36 7.918 15.475 -15.448 952 2HB LYS 36 3HB LYS 36 6.249 16.021 -15.536 953 1HG LYS 36 2HG LYS 36 6.361 16.410 -17.739 954 2HG LYS 36 3HG LYS 36 7.990 17.083 -17.640 955 1HD LYS 36 2HD LYS 36 8.492 14.483 -17.093 956 2HD LYS 36 3HD LYS 36 7.104 14.323 -18.172 957 1HE LYS 36 2HE LYS 36 8.470 14.616 -19.899 958 2HE LYS 36 3HE LYS 36 8.785 16.254 -19.330 959 1HZ LYS 36 1HZ LYS 36 10.295 13.832 -18.505 960 2HZ LYS 36 2HZ LYS 36 10.609 15.416 -18.002 961 3HZ LYS 36 3HZ LYS 36 10.828 14.984 -19.623 962 H LYS 37 H LYS 37 7.703 18.127 -12.695 963 HA LYS 37 HA LYS 37 4.832 18.441 -12.414 964 1HB LYS 37 2HB LYS 37 7.028 17.792 -10.680 965 2HB LYS 37 3HB LYS 37 6.140 19.155 -10.013 966 1HG LYS 37 2HG LYS 37 4.714 16.693 -10.942 967 2HG LYS 37 3HG LYS 37 5.442 16.780 -9.337 968 1HD LYS 37 2HD LYS 37 4.120 19.051 -9.218 969 2HD LYS 37 3HD LYS 37 3.130 18.290 -10.465 970 1HE LYS 37 2HE LYS 37 2.687 16.408 -9.007 971 2HE LYS 37 3HE LYS 37 3.763 17.072 -7.779 972 1HZ LYS 37 1HZ LYS 37 1.503 17.559 -7.203 973 2HZ LYS 37 2HZ LYS 37 1.205 18.253 -8.716 974 3HZ LYS 37 3HZ LYS 37 2.266 19.006 -7.634 975 H ARG 38 H ARG 38 4.184 20.326 -13.338 976 HA ARG 38 HA ARG 38 4.741 22.753 -11.936 977 1HB ARG 38 2HB ARG 38 6.551 22.195 -13.924 978 2HB ARG 38 3HB ARG 38 5.369 23.186 -14.768 979 1HG ARG 38 2HG ARG 38 5.643 24.943 -13.091 980 2HG ARG 38 3HG ARG 38 6.833 23.947 -12.250 981 1HD ARG 38 2HD ARG 38 7.576 24.109 -14.989 982 2HD ARG 38 3HD ARG 38 7.232 25.740 -14.413 983 HE ARG 38 HE ARG 38 9.456 24.092 -13.691 984 1HH1 ARG 38 2HH1 ARG 38 7.347 26.634 -12.589 985 2HH1 ARG 38 1HH1 ARG 38 8.500 27.284 -11.471 986 1HH2 ARG 38 2HH2 ARG 38 10.983 24.939 -12.223 987 2HH2 ARG 38 1HH2 ARG 38 10.568 26.320 -11.265 988 H LYS 39 H LYS 39 3.314 24.447 -12.495 989 HA LYS 39 HA LYS 39 1.402 24.062 -14.628 990 1HB LYS 39 2HB LYS 39 0.594 22.710 -12.607 991 2HB LYS 39 3HB LYS 39 0.328 24.260 -11.819 992 1HG LYS 39 2HG LYS 39 -0.850 24.104 -14.480 993 2HG LYS 39 3HG LYS 39 -1.490 22.905 -13.352 994 1HD LYS 39 2HD LYS 39 -2.016 24.664 -11.755 995 2HD LYS 39 3HD LYS 39 -1.321 25.875 -12.834 996 1HE LYS 39 2HE LYS 39 -3.099 25.827 -14.256 997 2HE LYS 39 3HE LYS 39 -3.441 24.125 -13.942 998 1HZ LYS 39 1HZ LYS 39 -3.858 25.731 -11.624 999 2HZ LYS 39 2HZ LYS 39 -4.923 24.671 -12.402 1000 3HZ LYS 39 3HZ LYS 39 -4.796 26.276 -12.923 1001 H SER 40 H SER 40 2.338 26.047 -15.308 1002 HA SER 40 HA SER 40 0.944 28.346 -14.359 1003 1HB SER 40 2HB SER 40 2.798 28.110 -12.661 1004 2HB SER 40 3HB SER 40 3.942 28.397 -13.971 1005 HG SER 40 HG SER 40 3.561 30.438 -13.743 1006 H GLY 41 H GLY 41 0.607 29.622 -16.058 1007 1HA GLY 41 1HA GLY 41 2.668 29.823 -18.135 1008 2HA GLY 41 2HA GLY 41 1.065 29.280 -18.610 1009 H ASN 42 H ASN 42 2.186 31.831 -16.391 1010 HA ASN 42 HA ASN 42 1.336 33.936 -18.132 1011 1HB ASN 42 2HB ASN 42 -0.786 32.886 -16.964 1012 2HB ASN 42 3HB ASN 42 -0.243 33.850 -15.593 1013 1HD2 ASN 42 1HD2 ASN 42 -1.918 35.279 -15.616 1014 2HD2 ASN 42 2HD2 ASN 42 -2.175 36.425 -16.884 1015 H SER 43 H SER 43 2.625 35.604 -17.736 1016 HA SER 43 HA SER 43 3.403 36.238 -14.998 1017 1HB SER 43 2HB SER 43 5.301 35.406 -17.171 1018 2HB SER 43 3HB SER 43 5.823 36.550 -15.934 1019 HG SER 43 HG SER 43 5.355 33.847 -15.752 1020 H ARG 44 H ARG 44 3.561 38.379 -14.645 1021 HA ARG 44 HA ARG 44 3.983 40.210 -16.867 1022 1HB ARG 44 2HB ARG 44 1.383 39.705 -15.699 1023 2HB ARG 44 3HB ARG 44 1.859 41.382 -15.468 1024 1HG ARG 44 2HG ARG 44 2.452 41.259 -18.008 1025 2HG ARG 44 3HG ARG 44 1.338 39.891 -17.991 1026 1HD ARG 44 2HD ARG 44 -0.141 41.569 -18.433 1027 2HD ARG 44 3HD ARG 44 -0.177 41.611 -16.671 1028 HE ARG 44 HE ARG 44 0.822 43.673 -16.733 1029 1HH1 ARG 44 2HH1 ARG 44 1.120 42.158 -19.853 1030 2HH1 ARG 44 1HH1 ARG 44 1.744 43.576 -20.628 1031 1HH2 ARG 44 2HH2 ARG 44 1.643 45.547 -17.741 1032 2HH2 ARG 44 1HH2 ARG 44 2.043 45.503 -19.425 1033 H GLU 45 H GLU 45 3.045 40.094 -13.426 1034 HA GLU 45 HA GLU 45 5.218 41.999 -12.871 1035 1HB GLU 45 2HB GLU 45 2.407 42.044 -11.767 1036 2HB GLU 45 3HB GLU 45 3.733 42.972 -11.081 1037 1HG GLU 45 2HG GLU 45 4.004 44.151 -13.208 1038 2HG GLU 45 3HG GLU 45 2.659 43.232 -13.881 1039 H ARG 46 H ARG 46 5.032 39.062 -12.660 1040 HA ARG 46 HA ARG 46 5.167 38.685 -9.753 1041 1HB ARG 46 2HB ARG 46 3.819 37.177 -11.434 1042 2HB ARG 46 3HB ARG 46 5.389 36.433 -11.709 1043 1HG ARG 46 2HG ARG 46 5.533 35.632 -9.535 1044 2HG ARG 46 3HG ARG 46 4.325 36.770 -8.934 1045 1HD ARG 46 2HD ARG 46 3.125 35.185 -10.965 1046 2HD ARG 46 3HD ARG 46 3.958 34.105 -9.849 1047 HE ARG 46 HE ARG 46 2.569 35.835 -8.247 1048 1HH1 ARG 46 2HH1 ARG 46 1.755 33.638 -10.821 1049 2HH1 ARG 46 1HH1 ARG 46 0.167 33.305 -10.211 1050 1HH2 ARG 46 2HH2 ARG 46 0.482 35.404 -7.433 1051 2HH2 ARG 46 1HH2 ARG 46 -0.555 34.311 -8.284 1052 H CYS 47 H CYS 47 6.932 36.913 -9.080 1053 HA CYS 47 HA CYS 47 9.374 37.606 -10.543 1054 1HB CYS 47 2HB CYS 47 9.267 38.839 -8.404 1055 2HB CYS 47 3HB CYS 47 9.088 37.329 -7.533 1056 H GLN 48 H GLN 48 10.178 35.816 -11.405 1057 HA GLN 48 HA GLN 48 9.414 33.194 -10.371 1058 1HB GLN 48 2HB GLN 48 9.695 34.199 -12.944 1059 2HB GLN 48 3HB GLN 48 11.120 33.192 -12.730 1060 1HG GLN 48 2HG GLN 48 9.663 31.654 -13.552 1061 2HG GLN 48 3HG GLN 48 9.365 31.464 -11.825 1062 1HE2 GLN 48 1HE2 GLN 48 7.320 31.410 -11.266 1063 2HE2 GLN 48 2HE2 GLN 48 6.007 32.142 -12.117 1064 H LEU 49 H LEU 49 11.366 34.911 -8.996 1065 HA LEU 49 HA LEU 49 13.665 33.072 -9.086 1066 1HB LEU 49 2HB LEU 49 13.628 35.867 -9.558 1067 2HB LEU 49 3HB LEU 49 14.447 35.595 -8.022 1068 HG LEU 49 HG LEU 49 15.307 33.908 -10.297 1069 1HD1 LEU 49 1HD1 LEU 49 16.895 36.103 -10.635 1070 2HD1 LEU 49 2HD1 LEU 49 15.304 36.828 -10.403 1071 3HD1 LEU 49 3HD1 LEU 49 15.554 35.643 -11.685 1072 1HD2 LEU 49 1HD2 LEU 49 17.543 34.641 -9.251 1073 2HD2 LEU 49 2HD2 LEU 49 16.502 33.551 -8.333 1074 3HD2 LEU 49 3HD2 LEU 49 16.550 35.270 -7.935 1075 H CYS 50 H CYS 50 11.544 35.176 -7.087 1076 HA CYS 50 HA CYS 50 12.450 33.593 -4.800 1077 1HB CYS 50 2HB CYS 50 12.552 35.456 -3.371 1078 2HB CYS 50 3HB CYS 50 13.383 35.973 -4.826 1079 H ASN 51 H ASN 51 10.178 33.788 -6.880 1080 HA ASN 51 HA ASN 51 7.937 33.420 -6.984 1081 1HB ASN 51 2HB ASN 51 8.858 31.981 -4.802 1082 2HB ASN 51 3HB ASN 51 7.486 32.875 -4.152 1083 1HD2 ASN 51 1HD2 ASN 51 5.511 32.819 -5.612 1084 2HD2 ASN 51 2HD2 ASN 51 5.112 31.281 -6.292 1085 H GLY 52 H GLY 52 9.087 36.064 -6.028 1086 1HA GLY 52 1HA GLY 52 7.264 37.234 -4.209 1087 2HA GLY 52 2HA GLY 52 8.311 38.106 -5.317 1088 H MET 53 H MET 53 5.648 38.842 -4.625 1089 HA MET 53 HA MET 53 4.344 38.539 -7.250 1090 1HB MET 53 2HB MET 53 2.175 38.898 -5.963 1091 2HB MET 53 3HB MET 53 2.962 37.339 -5.761 1092 1HG MET 53 2HG MET 53 3.162 37.631 -3.575 1093 2HG MET 53 3HG MET 53 3.878 39.227 -3.786 1094 1HE MET 53 1HE MET 53 1.077 39.071 -1.126 1095 2HE MET 53 2HE MET 53 2.802 38.963 -1.477 1096 3HE MET 53 3HE MET 53 2.006 40.537 -1.439 1097 H GLY 54 H GLY 54 5.007 40.432 -8.173 1098 1HA GLY 54 1HA GLY 54 3.712 42.729 -8.109 1099 2HA GLY 54 2HA GLY 54 4.707 42.924 -6.673 1100 H HIS 55 H HIS 55 7.125 42.143 -7.244 1101 HA HIS 55 HA HIS 55 7.981 44.010 -9.293 1102 1HB HIS 55 2HB HIS 55 10.252 43.555 -8.429 1103 2HB HIS 55 3HB HIS 55 9.140 44.043 -7.154 1104 HD1 HIS 55 HD1 HIS 55 8.176 41.994 -5.666 1105 HD2 HIS 55 HD2 HIS 55 11.542 41.203 -7.968 1106 HE1 HIS 55 HE1 HIS 55 9.171 39.897 -4.701 1107 H ASN 56 H ASN 56 10.250 43.034 -10.305 1108 HA ASN 56 HA ASN 56 9.422 40.572 -11.699 1109 1HB ASN 56 2HB ASN 56 11.062 42.861 -12.809 1110 2HB ASN 56 3HB ASN 56 10.592 41.407 -13.684 1111 1HD2 ASN 56 1HD2 ASN 56 9.663 44.520 -12.640 1112 2HD2 ASN 56 2HD2 ASN 56 8.083 44.534 -13.339 1113 H ALA 57 H ALA 57 11.062 39.093 -12.301 1114 HA ALA 57 HA ALA 57 13.023 38.616 -10.375 1115 1HB ALA 57 1HB ALA 57 13.438 37.534 -13.107 1116 2HB ALA 57 2HB ALA 57 13.512 36.723 -11.542 1117 3HB ALA 57 3HB ALA 57 11.950 37.102 -12.266 1118 H LYS 58 H LYS 58 13.192 40.316 -13.448 1119 HA LYS 58 HA LYS 58 15.988 40.518 -13.647 1120 1HB LYS 58 2HB LYS 58 13.682 42.051 -14.775 1121 2HB LYS 58 3HB LYS 58 15.306 42.700 -14.957 1122 1HG LYS 58 2HG LYS 58 14.766 39.872 -15.727 1123 2HG LYS 58 3HG LYS 58 14.273 41.182 -16.804 1124 1HD LYS 58 2HD LYS 58 16.455 41.862 -17.183 1125 2HD LYS 58 3HD LYS 58 17.051 41.122 -15.695 1126 1HE LYS 58 2HE LYS 58 17.852 39.629 -17.232 1127 2HE LYS 58 3HE LYS 58 16.282 38.905 -16.891 1128 1HZ LYS 58 1HZ LYS 58 15.700 39.163 -18.997 1129 2HZ LYS 58 2HZ LYS 58 17.261 39.709 -19.349 1130 3HZ LYS 58 3HZ LYS 58 16.045 40.818 -18.959 1131 H GLN 59 H GLN 59 13.720 42.115 -11.612 1132 HA GLN 59 HA GLN 59 15.808 44.011 -10.756 1133 1HB GLN 59 2HB GLN 59 13.466 44.783 -11.717 1134 2HB GLN 59 3HB GLN 59 12.934 44.448 -10.075 1135 1HG GLN 59 2HG GLN 59 13.459 46.739 -10.149 1136 2HG GLN 59 3HG GLN 59 14.782 45.958 -9.286 1137 1HE2 GLN 59 1HE2 GLN 59 16.736 46.550 -9.866 1138 2HE2 GLN 59 2HE2 GLN 59 17.192 47.209 -11.397 1139 H CYS 60 H CYS 60 14.968 41.071 -9.904 1140 HA CYS 60 HA CYS 60 14.295 41.614 -7.143 1141 1HB CYS 60 2HB CYS 60 13.159 39.771 -8.349 1142 2HB CYS 60 3HB CYS 60 14.699 38.966 -8.572 1143 H ARG 61 H ARG 61 15.740 41.379 -5.504 1144 HA ARG 61 HA ARG 61 17.751 41.396 -4.437 1145 1HB ARG 61 2HB ARG 61 18.406 39.181 -6.387 1146 2HB ARG 61 3HB ARG 61 19.217 39.496 -4.859 1147 1HG ARG 61 2HG ARG 61 16.561 39.241 -4.146 1148 2HG ARG 61 3HG ARG 61 16.783 38.023 -5.403 1149 1HD ARG 61 2HD ARG 61 17.320 36.923 -3.405 1150 2HD ARG 61 3HD ARG 61 18.876 37.329 -4.126 1151 HE ARG 61 HE ARG 61 18.364 39.428 -2.485 1152 1HH1 ARG 61 2HH1 ARG 61 18.449 35.976 -2.038 1153 2HH1 ARG 61 1HH1 ARG 61 18.947 36.072 -0.381 1154 1HH2 ARG 61 2HH2 ARG 61 19.020 39.567 -0.304 1155 2HH2 ARG 61 1HH2 ARG 61 19.271 38.115 0.603 1156 H LYS 62 H LYS 62 17.414 43.099 -6.811 1157 HA LYS 62 HA LYS 62 20.263 43.461 -7.466 1158 1HB LYS 62 2HB LYS 62 17.861 43.533 -9.253 1159 2HB LYS 62 3HB LYS 62 19.251 44.542 -9.633 1160 1HG LYS 62 2HG LYS 62 19.690 41.652 -9.079 1161 2HG LYS 62 3HG LYS 62 19.008 42.133 -10.634 1162 1HD LYS 62 2HD LYS 62 21.068 43.891 -10.390 1163 2HD LYS 62 3HD LYS 62 21.728 42.470 -9.575 1164 1HE LYS 62 2HE LYS 62 21.380 41.114 -11.510 1165 2HE LYS 62 3HE LYS 62 20.467 42.392 -12.310 1166 1HZ LYS 62 1HZ LYS 62 23.138 43.144 -11.507 1167 2HZ LYS 62 2HZ LYS 62 22.330 43.416 -12.967 1168 3HZ LYS 62 3HZ LYS 62 23.083 41.929 -12.683 1169 H ARG 63 H ARG 63 20.549 45.001 -5.850 1170 HA ARG 63 HA ARG 63 19.451 47.629 -6.498 1171 1HB ARG 63 2HB ARG 63 18.987 48.079 -4.094 1172 2HB ARG 63 3HB ARG 63 17.936 46.857 -4.795 1173 1HG ARG 63 2HG ARG 63 18.499 45.455 -3.184 1174 2HG ARG 63 3HG ARG 63 20.182 45.523 -3.713 1175 1HD ARG 63 2HD ARG 63 20.088 46.128 -1.395 1176 2HD ARG 63 3HD ARG 63 20.470 47.570 -2.335 1177 HE ARG 63 HE ARG 63 18.490 48.497 -1.653 1178 1HH1 ARG 63 2HH1 ARG 63 18.437 45.077 -1.003 1179 2HH1 ARG 63 1HH1 ARG 63 16.961 45.141 -0.099 1180 1HH2 ARG 63 2HH2 ARG 63 16.546 48.593 -0.465 1181 2HH2 ARG 63 1HH2 ARG 63 15.885 47.141 0.206 1182 H ASP 64 H ASP 64 20.648 49.392 -5.490 1183 HA ASP 64 HA ASP 64 23.477 48.736 -5.304 1184 1HB ASP 64 2HB ASP 64 21.890 51.142 -5.943 1185 2HB ASP 64 3HB ASP 64 23.383 51.440 -5.059 Start of MODEL 7 1 1H5* C 160 1H5* C 160 -0.800 26.103 -8.332 2 2H5* C 160 2H5* C 160 0.898 25.788 -8.696 3 H4* C 160 H4* C 160 -0.382 24.218 -9.920 4 H3* C 160 H3* C 160 0.808 26.399 -11.598 5 H2* C 160 H2* C 160 -0.075 25.408 -13.569 6 2HO* C 160 2HO* C 160 -0.404 23.253 -13.446 7 H1* C 160 H1* C 160 -2.635 25.086 -12.419 8 1H4 C 160 1H4 C 160 -2.902 30.423 -15.954 9 2H4 C 160 2H4 C 160 -2.431 31.332 -14.535 10 H5 C 160 H5 C 160 -1.788 30.341 -12.490 11 H6 C 160 H6 C 160 -1.436 28.211 -11.291 12 1H5* U 161 1H5* U 161 2.170 22.517 -13.268 13 2H5* U 161 2H5* U 161 3.801 22.712 -13.911 14 H4* U 161 H4* U 161 2.228 21.866 -15.588 15 H3* U 161 H3* U 161 3.551 24.523 -16.051 16 H2* U 161 H2* U 161 2.549 24.656 -18.200 17 2HO* U 161 2HO* U 161 1.361 22.105 -17.668 18 H1* U 161 H1* U 161 0.003 23.944 -17.226 19 H3 U 161 H3 U 161 -0.137 28.330 -18.596 20 H5 U 161 H5 U 161 1.286 28.431 -14.658 21 H6 U 161 H6 U 161 1.479 25.989 -14.770 22 1H5* G 162 1H5* G 162 4.528 22.095 -19.627 23 2H5* G 162 2H5* G 162 6.283 22.196 -19.769 24 H4* G 162 H4* G 162 5.401 22.691 -21.903 25 H3* G 162 H3* G 162 6.434 25.099 -20.444 26 H2* G 162 H2* G 162 5.944 26.476 -22.325 27 2HO* G 162 2HO* G 162 4.765 24.837 -24.031 28 H1* G 162 H1* G 162 3.331 25.527 -22.558 29 H8 G 162 H8 G 162 4.172 25.738 -18.944 30 H1 G 162 H1 G 162 2.513 31.443 -21.510 31 1H2 G 162 1H2 G 162 2.434 31.278 -23.564 32 2H2 G 162 2H2 G 162 2.767 29.812 -24.458 33 1H5* C 163 1H5* C 163 8.011 25.030 -24.252 34 2H5* C 163 2H5* C 163 9.736 25.376 -24.377 35 H4* C 163 H4* C 163 8.613 26.869 -25.834 36 H3* C 163 H3* C 163 9.655 28.165 -23.335 37 H2* C 163 H2* C 163 8.923 30.287 -24.108 38 2HO* C 163 2HO* C 163 8.005 30.252 -26.356 39 H1* C 163 H1* C 163 6.376 29.317 -24.828 40 1H4 C 163 1H4 C 163 5.549 31.910 -19.049 41 2H4 C 163 2H4 C 163 6.155 30.440 -18.318 42 H5 C 163 H5 C 163 7.035 28.626 -19.547 43 H6 C 163 H6 C 163 7.556 27.765 -21.803 44 1H5* C 164 1H5* C 164 11.517 30.405 -26.572 45 2H5* C 164 2H5* C 164 13.181 30.782 -26.128 46 H4* C 164 H4* C 164 11.944 32.806 -26.618 47 H3* C 164 H3* C 164 12.836 32.420 -23.769 48 H2* C 164 H2* C 164 12.061 34.602 -23.247 49 2HO* C 164 2HO* C 164 11.081 35.168 -25.786 50 H1* C 164 H1* C 164 9.603 34.217 -24.572 51 1H4 C 164 1H4 C 164 8.316 33.054 -18.426 52 2H4 C 164 2H4 C 164 8.957 31.437 -18.610 53 H5 C 164 H5 C 164 9.999 30.650 -20.578 54 H6 C 164 H6 C 164 10.687 31.227 -22.878 55 1H5* C 165 1H5* C 165 14.094 36.125 -24.990 56 2H5* C 165 2H5* C 165 15.831 36.368 -24.800 57 H4* C 165 H4* C 165 14.909 38.261 -23.830 58 H3* C 165 H3* C 165 15.636 36.250 -21.729 59 H2* C 165 H2* C 165 14.888 37.710 -20.015 60 2HO* C 165 2HO* C 165 14.477 39.897 -20.605 61 H1* C 165 H1* C 165 12.465 38.279 -21.332 62 1H4 C 165 1H4 C 165 10.914 33.673 -17.200 63 2H4 C 165 2H4 C 165 11.636 32.482 -18.259 64 H5 C 165 H5 C 165 12.802 33.016 -20.242 65 H6 C 165 H6 C 165 13.570 34.846 -21.712 66 1H5* U 166 1H5* U 166 17.117 39.870 -20.446 67 2H5* U 166 2H5* U 166 18.865 39.840 -20.211 68 H4* U 166 H4* U 166 18.088 40.798 -18.253 69 H3* U 166 H3* U 166 18.550 37.860 -17.815 70 H2* U 166 H2* U 166 17.968 38.110 -15.524 71 2HO* U 166 2HO* U 166 18.337 40.098 -14.703 72 H1* U 166 H1* U 166 15.639 39.548 -16.071 73 H3 U 166 H3 U 166 14.086 35.502 -14.729 74 H5 U 166 H5 U 166 15.399 34.834 -18.649 75 H6 U 166 H6 U 166 16.325 37.105 -18.620 76 1H5* C 167 1H5* C 167 21.414 39.907 -14.963 77 2H5* C 167 2H5* C 167 22.615 38.708 -14.481 78 H4* C 167 H4* C 167 21.109 39.550 -12.654 79 H3* C 167 H3* C 167 21.401 36.612 -13.243 80 H2* C 167 H2* C 167 20.088 36.121 -11.322 81 2HO* C 167 2HO* C 167 19.995 37.684 -9.764 82 H1* C 167 H1* C 167 18.109 37.997 -12.005 83 1H4 C 167 1H4 C 167 15.918 32.423 -14.231 84 2H4 C 167 2H4 C 167 16.876 32.644 -15.677 85 H5 C 167 H5 C 167 18.406 34.417 -15.984 86 H6 C 167 H6 C 167 19.402 36.435 -14.967 87 1H5* A 168 1H5* A 168 21.990 35.381 -11.154 88 2H5* A 168 2H5* A 168 22.948 35.808 -9.737 89 H4* A 168 H4* A 168 24.158 33.490 -10.710 90 H3* A 168 H3* A 168 21.230 33.389 -11.272 91 H2* A 168 H2* A 168 21.028 31.220 -10.327 92 2HO* A 168 2HO* A 168 22.926 30.279 -10.948 93 H1* A 168 H1* A 168 22.373 31.886 -7.982 94 H8 A 168 H8 A 168 19.559 33.069 -10.222 95 1H6 A 168 1H6 A 168 16.288 33.922 -4.977 96 2H6 A 168 2H6 A 168 16.196 33.938 -6.723 97 H2 A 168 H2 A 168 20.458 32.869 -3.859 98 1H5* U 169 1H5* U 169 19.461 32.783 -13.478 99 2H5* U 169 2H5* U 169 19.986 31.250 -12.781 100 H4* U 169 H4* U 169 18.188 30.662 -14.127 101 H3* U 169 H3* U 169 20.794 30.080 -15.462 102 H2* U 169 H2* U 169 19.701 29.290 -17.423 103 2HO* U 169 2HO* U 169 17.702 28.508 -17.065 104 H1* U 169 H1* U 169 18.060 31.551 -17.618 105 H3 U 169 H3 U 169 21.222 31.546 -20.991 106 H5 U 169 H5 U 169 22.943 33.615 -17.783 107 H6 U 169 H6 U 169 21.059 32.852 -16.410 108 1H5* C 170 1H5* C 170 21.369 25.142 -12.659 109 2H5* C 170 2H5* C 170 20.323 26.167 -11.676 110 H4* C 170 H4* C 170 22.765 27.575 -12.132 111 H3* C 170 H3* C 170 23.165 24.670 -11.538 112 H2* C 170 H2* C 170 24.822 25.171 -9.907 113 2HO* C 170 2HO* C 170 25.835 26.901 -10.847 114 H1* C 170 H1* C 170 23.280 27.001 -8.545 115 1H4 C 170 1H4 C 170 21.827 21.356 -5.906 116 2H4 C 170 2H4 C 170 20.523 21.189 -7.060 117 H5 C 170 H5 C 170 20.146 22.687 -8.845 118 H6 C 170 H6 C 170 20.933 24.737 -9.974 119 1H5* C 171 1H5* C 171 27.198 26.207 -12.675 120 2H5* C 171 2H5* C 171 28.151 24.866 -13.310 121 H4* C 171 H4* C 171 29.084 25.894 -11.252 122 H3* C 171 H3* C 171 28.351 22.966 -11.241 123 H2* C 171 H2* C 171 29.400 22.766 -9.125 124 2HO* C 171 2HO* C 171 30.994 24.217 -8.697 125 H1* C 171 H1* C 171 28.206 25.195 -8.204 126 1H4 C 171 1H4 C 171 24.953 20.392 -5.479 127 2H4 C 171 2H4 C 171 23.875 20.405 -6.857 128 H5 C 171 H5 C 171 24.222 21.720 -8.787 129 H6 C 171 H6 C 171 25.704 23.364 -9.882 130 1H5* G 172 1H5* G 172 32.869 23.424 -10.785 131 2H5* G 172 2H5* G 172 33.607 21.995 -11.511 132 H4* G 172 H4* G 172 34.391 22.379 -9.226 133 H3* G 172 H3* G 172 32.890 19.855 -9.842 134 H2* G 172 H2* G 172 33.241 19.083 -7.616 135 2HO* G 172 2HO* G 172 34.603 20.547 -6.265 136 H1* G 172 H1* G 172 32.338 21.465 -6.471 137 H8 G 172 H8 G 172 30.163 20.929 -9.380 138 H1 G 172 H1 G 172 28.634 17.057 -4.425 139 1H2 G 172 1H2 G 172 30.138 17.116 -3.016 140 2H2 G 172 2H2 G 172 31.595 18.074 -3.155 141 1H5* U 173 1H5* U 173 36.262 18.627 -7.764 142 2H5* U 173 2H5* U 173 37.255 17.597 -8.795 143 H4* U 173 H4* U 173 37.143 16.411 -6.811 144 H3* U 173 H3* U 173 35.098 15.353 -8.740 145 H2* U 173 H2* U 173 34.477 13.677 -7.173 146 2HO* U 173 2HO* U 173 35.871 13.808 -5.107 147 H1* U 173 H1* U 173 34.243 15.467 -5.048 148 H3 U 173 H3 U 173 29.973 14.290 -6.143 149 H5 U 173 H5 U 173 30.998 17.253 -8.918 150 H6 U 173 H6 U 173 33.290 17.130 -8.054 151 1H5* C 174 1H5* C 174 37.132 12.202 -7.432 152 2H5* C 174 2H5* C 174 37.685 11.005 -8.604 153 H4* C 174 H4* C 174 36.335 9.849 -7.056 154 H3* C 174 H3* C 174 34.960 10.324 -9.683 155 H2* C 174 H2* C 174 33.065 9.121 -8.936 156 2HO* C 174 2HO* C 174 33.550 8.263 -6.558 157 H1* C 174 H1* C 174 33.159 10.411 -6.372 158 1H4 C 174 1H4 C 174 28.228 13.113 -9.402 159 2H4 C 174 2H4 C 174 29.347 14.116 -10.299 160 H5 C 174 H5 C 174 31.696 13.902 -10.175 161 H6 C 174 H6 C 174 33.568 12.661 -9.150 162 1H5* U 175 1H5* U 175 37.234 7.812 -13.180 163 2H5* U 175 2H5* U 175 36.014 9.078 -13.038 164 H4* U 175 H4* U 175 34.238 7.397 -13.304 165 H3* U 175 H3* U 175 36.530 5.441 -13.416 166 H2* U 175 H2* U 175 35.266 4.091 -14.894 167 2HO* U 175 2HO* U 175 33.330 4.485 -13.662 168 H1* U 175 H1* U 175 34.393 6.383 -16.378 169 H3 U 175 H3 U 175 36.642 3.993 -19.504 170 H5 U 175 H5 U 175 39.659 5.466 -16.999 171 H6 U 175 H6 U 175 37.889 6.287 -15.514 172 1H5* C 176 1H5* C 176 33.705 5.444 -9.931 173 2H5* C 176 2H5* C 176 34.394 4.429 -8.663 174 H4* C 176 H4* C 176 32.436 3.050 -8.594 175 H3* C 176 H3* C 176 31.659 4.418 -11.146 176 H2* C 176 H2* C 176 29.358 4.243 -10.574 177 2HO* C 176 2HO* C 176 28.849 2.925 -8.706 178 H1* C 176 H1* C 176 29.731 5.258 -7.997 179 1H4 C 176 1H4 C 176 28.142 10.283 -11.633 180 2H4 C 176 2H4 C 176 29.844 10.552 -11.936 181 H5 C 176 H5 C 176 31.555 9.086 -11.229 182 H6 C 176 H6 C 176 32.058 6.979 -10.044 183 1H5* G 177 1H5* G 177 29.141 0.818 -11.062 184 2H5* G 177 2H5* G 177 29.434 0.018 -12.605 185 H4* G 177 H4* G 177 27.080 0.197 -12.310 186 H3* G 177 H3* G 177 28.232 2.011 -14.399 187 H2* G 177 H2* G 177 26.054 2.810 -14.947 188 2HO* G 177 2HO* G 177 24.283 1.642 -14.134 189 H1* G 177 H1* G 177 25.400 3.357 -12.290 190 H8 G 177 H8 G 177 28.973 4.202 -12.654 191 H1 G 177 H1 G 177 25.077 8.733 -15.138 192 1H2 G 177 1H2 G 177 23.153 8.001 -15.253 193 2H2 G 177 2H2 G 177 22.668 6.396 -14.750 194 1H5* C 178 1H5* C 178 25.069 0.070 -16.058 195 2H5* C 178 2H5* C 178 25.309 -0.611 -17.667 196 H4* C 178 H4* C 178 23.421 0.826 -17.766 197 H3* C 178 H3* C 178 25.872 1.914 -19.117 198 H2* C 178 H2* C 178 24.662 3.821 -19.832 199 2HO* C 178 2HO* C 178 22.276 3.012 -18.600 200 H1* C 178 H1* C 178 23.470 4.180 -17.275 201 1H4 C 178 1H4 C 178 28.197 8.473 -17.530 202 2H4 C 178 2H4 C 178 29.333 7.222 -17.078 203 H5 C 178 H5 C 178 28.760 4.942 -16.854 204 H6 C 178 H6 C 178 26.936 3.283 -17.010 205 1H5* U 179 1H5* U 179 22.805 1.685 -22.494 206 2H5* U 179 2H5* U 179 23.777 1.304 -23.916 207 H4* U 179 H4* U 179 22.460 3.381 -24.148 208 H3* U 179 H3* U 179 25.460 3.486 -24.352 209 H2* U 179 H2* U 179 25.334 5.785 -24.933 210 2HO* U 179 2HO* U 179 22.855 6.464 -24.957 211 H1* U 179 H1* U 179 23.543 6.387 -22.851 212 H3 U 179 H3 U 179 27.592 8.372 -21.939 213 H5 U 179 H5 U 179 27.878 4.481 -20.417 214 H6 U 179 H6 U 179 25.762 3.986 -21.554 215 1H5* U 180 1H5* U 180 23.995 5.213 -27.583 216 2H5* U 180 2H5* U 180 24.675 4.837 -29.167 217 H4* U 180 H4* U 180 24.867 7.179 -28.850 218 H3* U 180 H3* U 180 27.460 5.688 -28.643 219 H2* U 180 H2* U 180 28.645 7.712 -28.301 220 2HO* U 180 2HO* U 180 26.852 9.613 -28.334 221 H1* U 180 H1* U 180 26.746 8.651 -26.406 222 H3 U 180 H3 U 180 30.429 8.173 -23.829 223 H5 U 180 H5 U 180 29.312 4.230 -24.691 224 H6 U 180 H6 U 180 27.621 5.146 -26.212 225 1H5* A 181 1H5* A 181 27.882 6.845 -33.346 226 2H5* A 181 2H5* A 181 29.051 5.585 -33.743 227 H4* A 181 H4* A 181 29.896 7.963 -33.800 228 H3* A 181 H3* A 181 31.263 5.799 -32.216 229 H2* A 181 H2* A 181 33.018 7.312 -31.693 230 2HO* A 181 2HO* A 181 33.292 9.017 -33.071 231 H1* A 181 H1* A 181 31.261 9.373 -30.960 232 H8 A 181 H8 A 181 30.052 5.999 -29.843 233 1H6 A 181 1H6 A 181 33.380 6.915 -24.643 234 2H6 A 181 2H6 A 181 32.205 5.869 -25.408 235 H2 A 181 H2 A 181 34.368 10.159 -27.515 236 1H5* U 182 1H5* U 182 32.247 2.458 -33.295 237 2H5* U 182 2H5* U 182 33.146 2.398 -34.811 238 H4* U 182 H4* U 182 30.369 1.505 -34.196 239 H3* U 182 H3* U 182 32.738 0.385 -35.676 240 H2* U 182 H2* U 182 31.275 -1.035 -36.903 241 2HO* U 182 2HO* U 182 28.896 -0.693 -36.164 242 H1* U 182 H1* U 182 29.498 1.065 -37.496 243 H3 U 182 H3 U 182 31.587 -0.283 -41.373 244 H5 U 182 H5 U 182 34.126 2.567 -39.649 245 H6 U 182 H6 U 182 32.710 2.473 -37.648 246 1H5* U 183 1H5* U 183 34.244 -1.627 -31.132 247 2H5* U 183 2H5* U 183 34.318 -3.321 -31.618 248 H4* U 183 H4* U 183 31.960 -1.985 -30.267 249 H3* U 183 H3* U 183 34.261 -3.557 -29.153 250 H2* U 183 H2* U 183 32.823 -4.594 -27.574 251 2HO* U 183 2HO* U 183 31.313 -3.153 -26.975 252 H1* U 183 H1* U 183 30.864 -5.180 -29.522 253 H3 U 183 H3 U 183 32.319 -9.335 -28.542 254 H5 U 183 H5 U 183 35.572 -7.617 -30.543 255 H6 U 183 H6 U 183 34.335 -5.500 -30.532 256 1H5* C 184 1H5* C 184 37.407 -1.808 -27.062 257 2H5* C 184 2H5* C 184 36.433 -3.278 -27.123 258 H4* C 184 H4* C 184 35.891 -2.378 -24.599 259 H3* C 184 H3* C 184 38.702 -1.490 -25.265 260 H2* C 184 H2* C 184 39.364 -2.076 -23.108 261 2HO* C 184 2HO* C 184 37.439 -2.420 -21.576 262 H1* C 184 H1* C 184 37.378 -4.249 -23.063 263 1H4 C 184 1H4 C 184 43.200 -6.872 -22.295 264 2H4 C 184 2H4 C 184 43.219 -7.127 -24.026 265 H5 C 184 H5 C 184 41.583 -6.275 -25.500 266 H6 C 184 H6 C 184 39.504 -4.955 -25.678 267 1H5* G 185 1H5* G 185 39.688 2.258 -22.096 268 2H5* G 185 2H5* G 185 40.766 2.095 -23.482 269 H4* G 185 H4* G 185 40.881 0.749 -20.809 270 H3* G 185 H3* G 185 42.751 2.377 -22.494 271 H2* G 185 H2* G 185 44.627 1.254 -21.547 272 2HO* G 185 2HO* G 185 43.411 -0.582 -19.997 273 H1* G 185 H1* G 185 43.566 -1.283 -22.022 274 H8 G 185 H8 G 185 43.334 1.778 -24.336 275 H1 G 185 H1 G 185 47.456 -2.847 -26.207 276 1H2 G 185 1H2 G 185 47.469 -4.364 -24.810 277 2H2 G 185 2H2 G 185 46.506 -4.381 -23.350 278 1H5* G 186 1H5* G 186 40.763 6.413 -18.712 279 2H5* G 186 2H5* G 186 41.947 6.702 -19.986 280 H4* G 186 H4* G 186 42.697 5.960 -17.153 281 H3* G 186 H3* G 186 42.131 8.665 -18.324 282 H2* G 186 H2* G 186 43.907 9.600 -17.041 283 2HO* G 186 2HO* G 186 44.564 8.446 -15.270 284 H1* G 186 H1* G 186 45.740 7.654 -17.842 285 H8 G 186 H8 G 186 44.430 7.883 -21.035 286 H1 G 186 H1 G 186 46.666 13.723 -19.368 287 1H2 G 186 1H2 G 186 46.923 13.804 -17.323 288 2H2 G 186 2H2 G 186 46.585 12.485 -16.225 289 1H5* G 187 1H5* G 187 39.480 11.573 -16.379 290 2H5* G 187 2H5* G 187 38.031 10.768 -16.982 291 H4* G 187 H4* G 187 40.159 12.197 -18.434 292 H3* G 187 H3* G 187 37.202 11.772 -18.732 293 H2* G 187 H2* G 187 37.344 12.360 -21.037 294 2HO* G 187 2HO* G 187 40.058 12.647 -21.220 295 H1* G 187 H1* G 187 39.457 10.607 -21.532 296 H8 G 187 H8 G 187 37.313 8.851 -19.117 297 H1 G 187 H1 G 187 34.854 8.774 -25.103 298 1H2 G 187 1H2 G 187 35.882 10.113 -26.286 299 2H2 G 187 2H2 G 187 37.212 11.109 -25.739 300 1H5* G 188 1H5* G 188 37.928 15.022 -21.213 301 2H5* G 188 2H5* G 188 37.157 16.381 -20.396 302 H4* G 188 H4* G 188 36.448 16.614 -22.586 303 H3* G 188 H3* G 188 34.329 15.193 -20.994 304 H2* G 188 H2* G 188 32.903 15.201 -22.904 305 2HO* G 188 2HO* G 188 34.907 16.418 -24.484 306 H1* G 188 H1* G 188 34.884 14.180 -24.591 307 H8 G 188 H8 G 188 35.367 12.443 -21.390 308 H1 G 188 H1 G 188 30.299 10.144 -24.692 309 1H2 G 188 1H2 G 188 29.848 11.426 -26.243 310 2H2 G 188 2H2 G 188 30.714 12.904 -26.596 311 1H5* A 189 1H5* A 189 31.618 18.570 -22.707 312 2H5* A 189 2H5* A 189 30.721 18.819 -21.209 313 H4* A 189 H4* A 189 29.363 18.158 -23.229 314 H3* A 189 H3* A 189 29.209 16.649 -20.627 315 H2* A 189 H2* A 189 27.433 15.345 -21.514 316 2HO* A 189 2HO* A 189 26.281 16.251 -23.162 317 H1* A 189 H1* A 189 28.777 14.859 -23.935 318 H8 A 189 H8 A 189 31.099 14.716 -21.001 319 1H6 A 189 1H6 A 189 29.544 8.695 -20.483 320 2H6 A 189 2H6 A 189 30.634 9.933 -19.900 321 H2 A 189 H2 A 189 26.854 10.572 -23.481 322 1H5* G 190 1H5* G 190 24.864 18.080 -21.578 323 2H5* G 190 2H5* G 190 24.299 18.439 -19.947 324 H4* G 190 H4* G 190 22.805 16.913 -21.173 325 H3* G 190 H3* G 190 24.101 15.984 -18.625 326 H2* G 190 H2* G 190 22.845 13.962 -18.728 327 2HO* G 190 2HO* G 190 21.025 13.982 -19.989 328 H1* G 190 H1* G 190 23.548 13.460 -21.382 329 H8 G 190 H8 G 190 26.527 14.942 -19.777 330 H1 G 190 H1 G 190 25.731 8.695 -18.286 331 1H2 G 190 1H2 G 190 23.859 8.075 -18.891 332 2H2 G 190 2H2 G 190 22.682 9.097 -19.684 333 1H5* C 191 1H5* C 191 19.798 15.599 -17.970 334 2H5* C 191 2H5* C 191 19.440 15.812 -16.256 335 H4* C 191 H4* C 191 18.787 13.597 -17.123 336 H3* C 191 H3* C 191 20.813 13.776 -14.905 337 H2* C 191 H2* C 191 20.782 11.407 -14.706 338 2HO* C 191 2HO* C 191 18.894 11.270 -16.832 339 H1* C 191 H1* C 191 21.042 11.024 -17.484 340 1H4 C 191 1H4 C 191 26.952 10.506 -15.076 341 2H4 C 191 2H4 C 191 27.152 12.230 -15.296 342 H5 C 191 H5 C 191 25.418 13.679 -15.987 343 H6 C 191 H6 C 191 23.043 13.831 -16.642 344 1H5* G 192 1H5* G 192 17.455 11.247 -13.198 345 2H5* G 192 2H5* G 192 17.246 11.925 -11.584 346 H4* G 192 H4* G 192 17.515 9.525 -11.465 347 H3* G 192 H3* G 192 19.703 11.206 -10.279 348 H2* G 192 H2* G 192 20.793 9.240 -9.490 349 2HO* G 192 2HO* G 192 19.608 7.248 -9.669 350 H1* G 192 H1* G 192 20.665 7.966 -11.970 351 H8 G 192 H8 G 192 21.289 11.503 -12.750 352 H1 G 192 H1 G 192 26.600 8.476 -10.624 353 1H2 G 192 1H2 G 192 26.077 6.649 -9.823 354 2H2 G 192 2H2 G 192 24.443 6.029 -9.741 355 1H5* G 193 1H5* G 193 18.827 8.118 -7.318 356 2H5* G 193 2H5* G 193 18.651 8.997 -5.800 357 H4* G 193 H4* G 193 20.244 7.187 -5.564 358 H3* G 193 H3* G 193 21.296 9.989 -5.319 359 H2* G 193 H2* G 193 23.447 9.135 -4.753 360 2HO* G 193 2HO* G 193 22.504 6.479 -5.096 361 H1* G 193 H1* G 193 23.514 7.384 -6.924 362 H8 G 193 H8 G 193 21.830 10.469 -8.084 363 H1 G 193 H1 G 193 28.269 11.064 -7.834 364 1H2 G 193 1H2 G 193 29.071 9.458 -6.819 365 2H2 G 193 2H2 G 193 28.138 8.145 -6.137 366 1H5* A 194 1H5* A 194 22.541 7.955 -1.853 367 2H5* A 194 2H5* A 194 22.124 8.852 -0.393 368 H4* A 194 H4* A 194 24.420 8.328 -0.234 369 H3* A 194 H3* A 194 23.883 11.204 -0.883 370 H2* A 194 H2* A 194 26.204 11.686 -0.880 371 2HO* A 194 2HO* A 194 27.357 10.409 0.451 372 H1* A 194 H1* A 194 26.817 9.411 -2.457 373 H8 A 194 H8 A 194 23.796 11.250 -3.678 374 1H6 A 194 1H6 A 194 27.701 14.768 -7.043 375 2H6 A 194 2H6 A 194 26.016 14.391 -6.763 376 H2 A 194 H2 A 194 30.118 12.242 -4.300 377 1H5* C 195 1H5* C 195 26.321 11.737 2.802 378 2H5* C 195 2H5* C 195 25.688 13.220 3.515 379 H4* C 195 H4* C 195 28.080 13.312 2.767 380 H3* C 195 H3* C 195 26.060 15.297 1.718 381 H2* C 195 H2* C 195 27.838 16.502 0.723 382 2HO* C 195 2HO* C 195 29.801 14.737 1.693 383 H1* C 195 H1* C 195 29.086 14.106 -0.206 384 1H4 C 195 1H4 C 195 26.277 16.659 -5.350 385 2H4 C 195 2H4 C 195 24.762 15.937 -4.855 386 H5 C 195 H5 C 195 24.457 14.789 -2.812 387 H6 C 195 H6 C 195 25.541 14.045 -0.723 388 1H5* G 196 1H5* G 196 28.868 18.035 4.582 389 2H5* G 196 2H5* G 196 27.642 19.251 4.942 390 H4* G 196 H4* G 196 29.777 20.140 3.989 391 H3* G 196 H3* G 196 27.120 20.714 2.706 392 H2* G 196 H2* G 196 28.193 22.171 1.155 393 2HO* G 196 2HO* G 196 30.684 21.519 2.395 394 H1* G 196 H1* G 196 30.148 20.291 0.487 395 H8 G 196 H8 G 196 27.067 18.340 0.930 396 H1 G 196 H1 G 196 27.148 21.564 -4.680 397 1H2 G 196 1H2 G 196 28.683 22.940 -4.661 398 2H2 G 196 2H2 G 196 29.785 23.184 -3.326 399 1H5* A 197 1H5* A 197 29.619 24.145 5.606 400 2H5* A 197 2H5* A 197 27.981 24.578 6.093 401 H4* A 197 H4* A 197 29.757 26.369 6.324 402 H3* A 197 H3* A 197 27.111 26.775 4.991 403 H2* A 197 H2* A 197 27.633 29.030 4.481 404 2HO* A 197 2HO* A 197 29.095 29.987 5.805 405 H1* A 197 H1* A 197 30.094 28.497 3.371 406 H8 A 197 H8 A 197 27.150 29.288 2.457 407 1H6 A 197 1H6 A 197 26.545 25.054 -2.088 408 2H6 A 197 2H6 A 197 25.916 26.562 -1.463 409 H2 A 197 H2 A 197 29.835 23.750 0.598 410 1H5* U 198 1H5* U 198 24.554 27.783 9.266 411 2H5* U 198 2H5* U 198 24.168 26.071 9.094 412 H4* U 198 H4* U 198 23.164 28.066 7.083 413 H3* U 198 H3* U 198 22.061 27.621 9.850 414 H2* U 198 H2* U 198 19.872 27.822 9.009 415 2HO* U 198 2HO* U 198 19.685 28.705 6.811 416 H1* U 198 H1* U 198 20.600 26.343 6.621 417 H3 U 198 H3 U 198 18.166 22.749 7.695 418 H5 U 198 H5 U 198 19.002 24.420 11.442 419 H6 U 198 H6 U 198 20.360 26.099 10.281 420 1H5* G 199 1H5* G 199 20.534 31.348 10.660 421 2H5* G 199 2H5* G 199 20.904 31.649 8.962 422 H4* G 199 H4* G 199 21.943 33.827 10.484 423 H3* G 199 H3* G 199 19.201 32.962 11.359 424 H2* G 199 H2* G 199 18.527 35.243 11.481 425 2HO* G 199 2HO* G 199 20.308 36.311 12.174 426 H1* G 199 H1* G 199 19.504 35.846 8.934 427 H8 G 199 H8 G 199 18.082 32.414 8.851 428 H1 G 199 H1 G 199 13.580 37.042 8.418 429 1H2 G 199 1H2 G 199 14.428 38.871 8.846 430 2H2 G 199 2H2 G 199 16.110 39.116 9.261 431 1H5* A 200 1H5* A 200 20.269 30.449 12.425 432 2H5* A 200 2H5* A 200 18.766 31.369 12.487 433 H4* A 200 H4* A 200 18.989 29.868 14.908 434 H3* A 200 H3* A 200 19.900 28.356 12.518 435 H2* A 200 H2* A 200 18.436 26.539 12.926 436 2HO* A 200 2HO* A 200 17.268 27.713 15.185 437 H1* A 200 H1* A 200 16.163 28.020 13.191 438 H8 A 200 H8 A 200 18.341 30.005 10.927 439 1H6 A 200 1H6 A 200 16.245 26.450 6.245 440 2H6 A 200 2H6 A 200 17.162 27.889 6.632 441 H2 A 200 H2 A 200 14.896 24.643 10.074 442 1H5* C 201 1H5* C 201 21.805 24.287 15.998 443 2H5* C 201 2H5* C 201 21.455 24.423 14.276 444 H4* C 201 H4* C 201 19.731 26.022 16.080 445 H3* C 201 H3* C 201 19.734 23.003 16.156 446 H2* C 201 H2* C 201 17.391 23.062 16.464 447 2HO* C 201 2HO* C 201 16.463 25.133 17.037 448 H1* C 201 H1* C 201 17.082 25.131 14.508 449 1H4 C 201 1H4 C 201 15.085 19.823 11.577 450 2H4 C 201 2H4 C 201 16.749 19.344 11.329 451 H5 C 201 H5 C 201 18.601 20.522 12.200 452 H6 C 201 H6 C 201 19.319 22.470 13.537 453 1H5* C 202 1H5* C 202 17.997 24.554 19.950 454 2H5* C 202 2H5* C 202 18.020 23.325 21.215 455 H4* C 202 H4* C 202 15.749 24.148 20.557 456 H3* C 202 H3* C 202 16.437 21.218 20.456 457 H2* C 202 H2* C 202 14.170 20.726 19.952 458 2HO* C 202 2HO* C 202 12.684 22.616 20.068 459 H1* C 202 H1* C 202 14.006 22.755 17.996 460 1H4 C 202 1H4 C 202 15.121 17.257 14.886 461 2H4 C 202 2H4 C 202 16.827 17.643 14.932 462 H5 C 202 H5 C 202 17.731 19.474 16.119 463 H6 C 202 H6 C 202 17.216 21.405 17.569 464 1H5* C 203 1H5* C 203 13.158 22.064 22.713 465 2H5* C 203 2H5* C 203 12.953 21.297 24.288 466 H4* C 203 H4* C 203 10.930 20.986 23.105 467 H3* C 203 H3* C 203 12.602 18.493 23.269 468 H2* C 203 H2* C 203 10.861 17.262 22.210 469 2HO* C 203 2HO* C 203 8.854 18.097 22.446 470 H1* C 203 H1* C 203 10.568 19.127 20.146 471 1H4 C 203 1H4 C 203 14.625 14.731 17.879 472 2H4 C 203 2H4 C 203 15.950 15.636 18.578 473 H5 C 203 H5 C 203 15.666 17.530 19.959 474 H6 C 203 H6 C 203 14.025 19.037 21.022 475 1H5* U 204 1H5* U 204 8.798 18.044 24.638 476 2H5* U 204 2H5* U 204 8.385 16.930 25.942 477 H4* U 204 H4* U 204 7.162 16.396 23.912 478 H3* U 204 H3* U 204 9.160 14.378 24.900 479 H2* U 204 H2* U 204 8.460 12.863 23.202 480 2HO* U 204 2HO* U 204 6.650 13.984 21.797 481 H1* U 204 H1* U 204 8.665 14.772 21.172 482 H3 U 204 H3 U 204 12.060 11.651 20.820 483 H5 U 204 H5 U 204 13.556 14.740 23.218 484 H6 U 204 H6 U 204 11.278 15.643 23.305 485 1H5* A 205 1H5* A 205 5.312 12.569 27.110 486 2H5* A 205 2H5* A 205 6.121 11.449 28.207 487 H4* A 205 H4* A 205 4.932 10.511 26.128 488 H3* A 205 H3* A 205 7.690 9.722 27.039 489 H2* A 205 H2* A 205 7.778 8.089 25.318 490 2HO* A 205 2HO* A 205 5.436 8.450 24.067 491 H1* A 205 H1* A 205 6.886 9.851 23.336 492 H8 A 205 H8 A 205 9.105 11.837 25.497 493 1H6 A 205 1H6 A 205 13.951 9.399 22.409 494 2H6 A 205 2H6 A 205 13.475 10.636 23.552 495 H2 A 205 H2 A 205 10.301 7.130 21.283 496 1H5* G 206 1H5* G 206 9.322 6.841 28.317 497 2H5* G 206 2H5* G 206 9.093 7.416 26.665 498 H4* G 206 H4* G 206 9.704 4.733 27.665 499 H3* G 206 H3* G 206 10.143 6.276 25.121 500 H2* G 206 H2* G 206 10.629 4.238 23.987 501 2HO* G 206 2HO* G 206 10.941 2.367 25.288 502 H1* G 206 H1* G 206 8.339 2.962 24.974 503 H8 G 206 H8 G 206 7.277 6.402 24.268 504 H1 G 206 H1 G 206 7.900 2.879 18.876 505 1H2 G 206 1H2 G 206 8.894 1.125 19.310 506 2H2 G 206 2H2 G 206 9.473 0.676 20.898 507 1H5* U 207 1H5* U 207 13.934 5.867 23.293 508 2H5* U 207 2H5* U 207 14.941 4.505 23.786 509 H4* U 207 H4* U 207 15.990 6.841 23.203 510 H3* U 207 H3* U 207 16.843 4.926 25.358 511 H2* U 207 H2* U 207 18.627 6.376 25.944 512 2HO* U 207 2HO* U 207 17.778 8.113 23.835 513 H1* U 207 H1* U 207 17.040 8.662 26.017 514 H3 U 207 H3 U 207 17.509 8.071 30.444 515 H5 U 207 H5 U 207 15.237 4.745 29.295 516 H6 U 207 H6 U 207 15.512 5.483 26.973 517 1H5* A 208 1H5* A 208 21.454 3.446 23.094 518 2H5* A 208 2H5* A 208 21.593 4.399 21.617 519 H4* A 208 H4* A 208 22.025 2.127 21.064 520 H3* A 208 H3* A 208 19.437 3.227 20.057 521 H2* A 208 H2* A 208 18.867 1.153 19.040 522 2HO* A 208 2HO* A 208 20.538 -0.484 19.014 523 H1* A 208 H1* A 208 19.426 -0.323 21.359 524 H8 A 208 H8 A 208 17.722 3.088 21.577 525 1H6 A 208 1H6 A 208 12.391 -0.129 22.006 526 2H6 A 208 2H6 A 208 13.087 1.475 22.058 527 H2 A 208 H2 A 208 15.700 -3.009 21.298 528 1H5* G 209 1H5* G 209 20.552 2.618 16.689 529 2H5* G 209 2H5* G 209 19.993 3.742 15.451 530 H4* G 209 H4* G 209 18.365 1.949 16.119 531 H3* G 209 H3* G 209 17.651 4.867 16.172 532 H2* G 209 H2* G 209 15.409 4.306 16.747 533 2HO* G 209 2HO* G 209 14.882 2.005 16.707 534 H1* G 209 H1* G 209 16.179 2.616 18.827 535 H8 G 209 H8 G 209 18.592 5.388 18.916 536 H1 G 209 H1 G 209 12.843 7.048 21.381 537 1H2 G 209 1H2 G 209 11.450 5.599 20.916 538 2H2 G 209 2H2 G 209 11.790 4.152 19.995 539 1H5* A 210 1H5* A 210 14.078 2.993 14.846 540 2H5* A 210 2H5* A 210 13.876 3.669 13.229 541 H4* A 210 H4* A 210 11.816 3.953 14.353 542 H3* A 210 H3* A 210 13.380 6.517 14.127 543 H2* A 210 H2* A 210 11.530 7.696 15.038 544 2HO* A 210 2HO* A 210 9.658 6.010 15.516 545 H1* A 210 H1* A 210 11.177 5.850 17.130 546 H8 A 210 H8 A 210 14.801 6.507 16.470 547 1H6 A 210 1H6 A 210 14.309 11.328 20.403 548 2H6 A 210 2H6 A 210 15.439 10.353 19.488 549 H2 A 210 H2 A 210 10.228 9.757 19.612 550 1H5* G 211 1H5* G 211 9.457 6.717 12.549 551 2H5* G 211 2H5* G 211 9.214 7.807 11.184 552 H4* G 211 H4* G 211 7.679 8.308 13.004 553 H3* G 211 H3* G 211 9.722 10.393 12.285 554 H2* G 211 H2* G 211 8.714 11.901 13.830 555 2HO* G 211 2HO* G 211 6.766 10.723 14.977 556 H1* G 211 H1* G 211 8.698 10.024 15.903 557 H8 G 211 H8 G 211 11.858 9.445 14.126 558 H1 G 211 H1 G 211 12.073 14.731 17.854 559 1H2 G 211 1H2 G 211 10.166 15.217 18.470 560 2H2 G 211 2H2 G 211 8.724 14.325 18.041 561 1H5* G 212 1H5* G 212 5.783 12.102 12.480 562 2H5* G 212 2H5* G 212 5.532 13.207 11.128 563 H4* G 212 H4* G 212 4.974 14.281 13.224 564 H3* G 212 H3* G 212 7.353 15.357 11.734 565 H2* G 212 H2* G 212 7.537 17.123 13.323 566 2HO* G 212 2HO* G 212 5.525 16.292 15.009 567 H1* G 212 H1* G 212 7.409 15.386 15.510 568 H8 G 212 H8 G 212 9.388 13.592 12.993 569 H1 G 212 H1 G 212 12.783 18.270 15.904 570 1H2 G 212 1H2 G 212 11.505 19.484 16.975 571 2H2 G 212 2H2 G 212 9.772 19.267 17.069 572 1H5* G 213 1H5* G 213 4.597 18.196 12.727 573 2H5* G 213 2H5* G 213 4.054 19.324 11.485 574 H4* G 213 H4* G 213 4.580 20.607 13.399 575 H3* G 213 H3* G 213 6.570 20.842 11.176 576 H2* G 213 H2* G 213 7.869 22.391 12.436 577 2HO* G 213 2HO* G 213 6.930 23.114 14.466 578 H1* G 213 H1* G 213 7.936 20.755 14.698 579 H8 G 213 H8 G 213 8.166 18.446 11.848 580 H1 G 213 H1 G 213 13.745 21.526 12.975 581 1H2 G 213 1H2 G 213 13.419 23.081 14.290 582 2H2 G 213 2H2 G 213 11.867 23.490 14.984 583 1H5* G 214 1H5* G 214 5.390 24.945 9.731 584 2H5* G 214 2H5* G 214 4.905 24.349 8.144 585 H4* G 214 H4* G 214 6.886 25.835 8.097 586 H3* G 214 H3* G 214 7.051 23.033 7.035 587 H2* G 214 H2* G 214 9.289 23.424 6.318 588 2HO* G 214 2HO* G 214 10.032 25.598 6.351 589 H1* G 214 H1* G 214 10.082 24.456 8.789 590 H8 G 214 H8 G 214 7.772 21.736 9.634 591 H1 G 214 H1 G 214 13.547 19.529 7.725 592 1H2 G 214 1H2 G 214 14.625 21.066 6.871 593 2H2 G 214 2H2 G 214 14.049 22.709 6.699 594 1H5* G 215 1H5* G 215 8.642 25.060 3.050 595 2H5* G 215 2H5* G 215 7.092 24.718 2.282 596 H4* G 215 H4* G 215 8.786 23.952 0.815 597 H3* G 215 H3* G 215 7.298 21.766 2.224 598 H2* G 215 H2* G 215 8.547 20.114 1.047 599 2HO* G 215 2HO* G 215 9.559 20.764 -0.815 600 H1* G 215 H1* G 215 11.005 21.305 1.663 601 H8 G 215 H8 G 215 8.585 21.517 4.522 602 H1 G 215 H1 G 215 11.870 15.947 4.278 603 1H2 G 215 1H2 G 215 12.910 15.838 2.500 604 2H2 G 215 2H2 G 215 12.894 17.072 1.261 605 1H5* C 216 1H5* C 216 4.976 21.714 -1.885 606 2H5* C 216 2H5* C 216 3.557 20.748 -1.482 607 H4* C 216 H4* C 216 5.431 19.609 -2.777 608 H3* C 216 H3* C 216 4.189 18.450 -0.289 609 H2* C 216 H2* C 216 5.461 16.470 -0.606 610 2HO* C 216 2HO* C 216 6.758 16.477 -2.679 611 H1* C 216 H1* C 216 7.849 17.875 -1.072 612 1H4 C 216 1H4 C 216 8.023 16.344 5.129 613 2H4 C 216 2H4 C 216 7.075 17.769 5.487 614 H5 C 216 H5 C 216 6.154 19.186 3.838 615 H6 C 216 H6 C 216 5.913 19.586 1.413 616 1H5* U 217 1H5* U 217 2.340 15.101 -2.985 617 2H5* U 217 2H5* U 217 1.362 14.413 -1.688 618 H4* U 217 H4* U 217 3.716 13.386 -2.632 619 H3* U 217 H3* U 217 2.217 12.965 -0.059 620 H2* U 217 H2* U 217 3.934 11.515 0.701 621 2HO* U 217 2HO* U 217 5.488 10.817 -0.875 622 H1* U 217 H1* U 217 6.005 13.245 0.024 623 H3 U 217 H3 U 217 5.407 13.133 4.610 624 H5 U 217 H5 U 217 3.025 16.274 3.195 625 H6 U 217 H6 U 217 3.471 15.460 0.925 626 1H5* G 218 1H5* G 218 -0.320 8.562 -0.964 627 2H5* G 218 2H5* G 218 0.814 9.639 -0.148 628 H4* G 218 H4* G 218 1.484 7.259 -1.227 629 H3* G 218 H3* G 218 3.190 9.726 -0.840 630 H2* G 218 H2* G 218 5.026 8.513 -1.650 631 2HO* G 218 2HO* G 218 4.936 6.232 -1.479 632 H1* G 218 H1* G 218 3.372 7.083 -3.553 633 H8 G 218 H8 G 218 3.271 10.842 -3.615 634 H1 G 218 H1 G 218 7.867 8.261 -7.371 635 1H2 G 218 1H2 G 218 8.001 6.236 -7.003 636 2H2 G 218 2H2 G 218 7.014 5.367 -5.848 637 1H5* C 219 1H5* C 219 4.540 7.164 1.960 638 2H5* C 219 2H5* C 219 4.315 5.626 2.791 639 H4* C 219 H4* C 219 4.961 6.765 4.605 640 H3* C 219 H3* C 219 2.064 7.438 4.359 641 H2* C 219 H2* C 219 2.192 9.076 6.053 642 2HO* C 219 2HO* C 219 3.629 8.552 7.592 643 H1* C 219 H1* C 219 4.542 10.250 5.078 644 1H4 C 219 1H4 C 219 -0.536 13.497 2.782 645 2H4 C 219 2H4 C 219 -0.128 12.809 1.226 646 H5 C 219 H5 C 219 1.515 11.141 0.915 647 H6 C 219 H6 C 219 3.188 9.709 2.031 648 1H5* G 220 1H5* G 220 5.075 3.566 6.282 649 2H5* G 220 2H5* G 220 5.252 5.308 6.080 650 H4* G 220 H4* G 220 6.854 3.183 5.020 651 H3* G 220 H3* G 220 7.051 6.201 5.003 652 H2* G 220 H2* G 220 8.920 6.009 3.599 653 2HO* G 220 2HO* G 220 9.565 3.517 3.440 654 H1* G 220 H1* G 220 7.739 3.710 2.252 655 H8 G 220 H8 G 220 7.508 4.462 -0.136 656 H1 G 220 H1 G 220 6.822 10.675 1.540 657 1H2 G 220 1H2 G 220 6.779 10.833 3.596 658 2H2 G 220 2H2 G 220 6.910 9.483 4.701 659 1H5* G 221 1H5* G 221 10.426 5.319 6.297 660 2H5* G 221 2H5* G 221 11.436 6.558 7.042 661 H4* G 221 H4* G 221 11.134 6.214 4.373 662 H3* G 221 H3* G 221 11.894 8.649 5.974 663 H2* G 221 H2* G 221 12.093 9.889 3.959 664 2HO* G 221 2HO* G 221 11.437 8.159 2.066 665 H1* G 221 H1* G 221 9.647 8.999 2.940 666 H8 G 221 H8 G 221 9.340 9.526 6.616 667 H1 G 221 H1 G 221 8.763 14.983 3.184 668 1H2 G 221 1H2 G 221 9.301 14.625 1.226 669 2H2 G 221 2H2 G 221 9.831 13.077 0.606 670 1H5* C 222 1H5* C 222 15.930 7.727 4.201 671 2H5* C 222 2H5* C 222 17.042 8.834 5.006 672 H4* C 222 H4* C 222 15.950 9.463 2.715 673 H3* C 222 H3* C 222 16.360 11.323 5.059 674 H2* C 222 H2* C 222 15.624 13.115 3.703 675 2HO* C 222 2HO* C 222 15.412 11.304 1.505 676 H1* C 222 H1* C 222 13.480 11.597 2.612 677 1H4 C 222 1H4 C 222 10.955 15.428 7.090 678 2H4 C 222 2H4 C 222 11.175 14.135 8.246 679 H5 C 222 H5 C 222 12.316 12.124 7.769 680 H6 C 222 H6 C 222 13.539 10.845 6.045 681 1H5* U 223 1H5* U 223 17.095 13.940 2.215 682 2H5* U 223 2H5* U 223 18.722 14.548 2.523 683 H4* U 223 H4* U 223 17.185 16.386 2.520 684 H3* U 223 H3* U 223 18.342 15.684 5.203 685 H2* U 223 H2* U 223 17.189 17.456 6.206 686 2HO* U 223 2HO* U 223 17.852 18.854 4.459 687 H1* U 223 H1* U 223 14.899 17.053 4.444 688 H3 U 223 H3 U 223 13.128 17.165 8.653 689 H5 U 223 H5 U 223 14.958 13.410 8.365 690 H6 U 223 H6 U 223 15.920 14.152 6.235 691 1H5* U 224 1H5* U 224 21.572 17.149 0.773 692 2H5* U 224 2H5* U 224 20.407 18.164 1.623 693 H4* U 224 H4* U 224 20.033 16.408 -0.760 694 H3* U 224 H3* U 224 19.375 19.231 -0.009 695 H2* U 224 H2* U 224 17.481 19.226 -1.449 696 2HO* U 224 2HO* U 224 17.822 17.935 -3.158 697 H1* U 224 H1* U 224 16.564 16.751 -0.433 698 H3 U 224 H3 U 224 13.314 19.023 1.609 699 H5 U 224 H5 U 224 16.739 21.099 2.832 700 H6 U 224 H6 U 224 18.047 19.563 1.437 701 1H5* A 225 1H5* A 225 20.852 20.450 -4.383 702 2H5* A 225 2H5* A 225 20.318 22.125 -4.257 703 H4* A 225 H4* A 225 18.898 20.153 -5.437 704 H3* A 225 H3* A 225 17.993 22.717 -4.145 705 H2* A 225 H2* A 225 15.745 22.175 -4.675 706 2HO* A 225 2HO* A 225 15.557 20.104 -6.000 707 H1* A 225 H1* A 225 15.930 19.558 -3.725 708 H8 A 225 H8 A 225 17.940 21.799 -1.528 709 1H6 A 225 1H6 A 225 12.661 22.987 1.584 710 2H6 A 225 2H6 A 225 14.399 23.201 1.604 711 H2 A 225 H2 A 225 11.625 20.733 -2.102 712 1H5* G 226 1H5* G 226 16.229 22.212 -8.185 713 2H5* G 226 2H5* G 226 15.616 23.755 -8.781 714 H4* G 226 H4* G 226 13.907 21.938 -8.459 715 H3* G 226 H3* G 226 13.612 24.658 -7.206 716 H2* G 226 H2* G 226 11.439 24.050 -6.443 717 2HO* G 226 2HO* G 226 10.447 22.446 -7.564 718 H1* G 226 H1* G 226 12.325 21.623 -5.362 719 H8 G 226 H8 G 226 15.001 24.028 -4.636 720 H1 G 226 H1 G 226 9.892 24.797 -0.739 721 1H2 G 226 1H2 G 226 8.296 23.717 -1.474 722 2H2 G 226 2H2 G 226 8.335 22.749 -2.930 723 1H5* G 227 1H5* G 227 12.360 25.971 -6.204 724 2H5* G 227 2H5* G 227 10.771 26.300 -6.894 725 H4* G 227 H4* G 227 11.725 28.106 -5.432 726 H3* G 227 H3* G 227 10.777 28.635 -8.232 727 H2* G 227 H2* G 227 11.194 30.962 -7.938 728 2HO* G 227 2HO* G 227 12.264 30.605 -5.366 729 H1* G 227 H1* G 227 13.781 30.565 -6.988 730 H8 G 227 H8 G 227 12.499 28.223 -9.703 731 H1 G 227 H1 G 227 15.770 33.374 -11.858 732 1H2 G 227 1H2 G 227 16.202 34.625 -10.278 733 2H2 G 227 2H2 G 227 15.746 34.325 -8.616 734 1H5* A 228 1H5* A 228 9.156 31.840 -5.560 735 2H5* A 228 2H5* A 228 7.647 32.331 -6.327 736 H4* A 228 H4* A 228 9.351 34.140 -6.096 737 H3* A 228 H3* A 228 8.250 33.416 -8.809 738 H2* A 228 H2* A 228 9.376 35.292 -9.722 739 2HO* A 228 2HO* A 228 10.089 36.893 -8.271 740 H1* A 228 H1* A 228 11.767 34.715 -8.309 741 H8 A 228 H8 A 228 10.431 31.567 -9.706 742 1H6 A 228 1H6 A 228 13.214 33.050 -15.091 743 2H6 A 228 2H6 A 228 12.396 31.770 -14.224 744 H2 A 228 H2 A 228 13.362 36.602 -12.426 745 1H5* G 229 1H5* G 229 6.847 37.781 -7.905 746 2H5* G 229 2H5* G 229 5.321 37.880 -8.783 747 H4* G 229 H4* G 229 6.904 39.678 -9.368 748 H3* G 229 H3* G 229 5.941 37.785 -11.492 749 H2* G 229 H2* G 229 7.093 39.054 -13.148 750 2HO* G 229 2HO* G 229 8.199 41.033 -12.248 751 H1* G 229 H1* G 229 9.488 39.067 -11.715 752 H8 G 229 H8 G 229 8.008 35.748 -11.124 753 H1 G 229 H1 G 229 10.731 36.237 -16.975 754 1H2 G 229 1H2 G 229 11.157 38.215 -17.373 755 2H2 G 229 2H2 G 229 10.826 39.544 -16.284 756 1H5* G 230 1H5* G 230 5.274 41.877 -13.077 757 2H5* G 230 2H5* G 230 3.599 41.849 -13.628 758 H4* G 230 H4* G 230 4.972 42.720 -15.381 759 H3* G 230 H3* G 230 3.828 39.989 -15.871 760 H2* G 230 H2* G 230 4.768 39.972 -18.060 761 2HO* G 230 2HO* G 230 5.323 41.937 -18.924 762 H1* G 230 H1* G 230 7.306 40.705 -17.164 763 H8 G 230 H8 G 230 5.860 38.449 -14.609 764 H1 G 230 H1 G 230 8.183 35.274 -19.749 765 1H2 G 230 1H2 G 230 8.601 36.616 -21.257 766 2H2 G 230 2H2 G 230 8.357 38.345 -21.146 767 1H5* G 231 1H5* G 231 3.174 42.370 -19.469 768 2H5* G 231 2H5* G 231 1.452 42.227 -19.818 769 H4* G 231 H4* G 231 2.640 41.787 -21.828 770 H3* G 231 H3* G 231 1.400 39.358 -20.568 771 H2* G 231 H2* G 231 2.094 38.037 -22.425 772 2HO* G 231 2HO* G 231 3.396 40.264 -23.595 773 H1* G 231 H1* G 231 4.725 38.961 -22.320 774 H8 G 231 H8 G 231 3.472 38.645 -18.836 775 H1 G 231 H1 G 231 5.353 33.001 -21.385 776 1H2 G 231 1H2 G 231 5.668 33.230 -23.410 777 2H2 G 231 2H2 G 231 5.454 34.729 -24.287 778 1H5* C 232 1H5* C 232 0.089 39.519 -24.572 779 2H5* C 232 2H5* C 232 -1.611 39.090 -24.758 780 H4* C 232 H4* C 232 -0.270 37.666 -26.152 781 H3* C 232 H3* C 232 -1.595 36.341 -23.806 782 H2* C 232 H2* C 232 -0.780 34.227 -24.522 783 2HO* C 232 2HO* C 232 0.666 35.117 -26.691 784 H1* C 232 H1* C 232 1.834 35.221 -24.931 785 1H4 C 232 1H4 C 232 2.036 32.452 -19.180 786 2H4 C 232 2H4 C 232 1.330 33.891 -18.476 787 H5 C 232 H5 C 232 0.571 35.735 -19.739 788 H6 C 232 H6 C 232 0.298 36.664 -22.011 789 1H5* A 233 1H5* A 233 -3.624 33.749 -27.438 790 2H5* A 233 2H5* A 233 -5.161 33.685 -26.576 791 H4* A 233 H4* A 233 -4.186 31.468 -27.231 792 H3* A 233 H3* A 233 -4.946 32.095 -24.390 793 H2* A 233 H2* A 233 -4.444 29.857 -23.768 794 2HO* A 233 2HO* A 233 -3.650 28.598 -25.852 795 H1* A 233 H1* A 233 -1.971 29.855 -25.080 796 H8 A 233 H8 A 233 -2.471 33.196 -23.541 797 1H6 A 233 1H6 A 233 -0.273 30.777 -18.224 798 2H6 A 233 2H6 A 233 -0.722 32.266 -19.025 799 H2 A 233 H2 A 233 -0.968 27.448 -21.082 800 1H5* G 234 1H5* G 234 -7.677 28.496 -25.626 801 2H5* G 234 2H5* G 234 -9.135 28.836 -24.695 802 H4* G 234 H4* G 234 -8.226 26.576 -24.301 803 H3* G 234 H3* G 234 -8.480 28.507 -22.014 804 H2* G 234 H2* G 234 -7.786 26.804 -20.498 805 2HO* G 234 2HO* G 234 -8.459 24.873 -21.223 806 H1* G 234 H1* G 234 -5.550 26.120 -22.022 807 H8 G 234 H8 G 234 -5.875 29.779 -22.315 808 H1 G 234 H1 G 234 -3.345 27.958 -16.643 809 1H2 G 234 1H2 G 234 -3.579 25.923 -16.406 810 2H2 G 234 2H2 G 234 -4.346 24.867 -17.570 811 1H GLY 15 1H GLY 15 4.558 -3.365 -0.902 812 1HA GLY 15 1HA GLY 15 3.796 -1.042 -2.182 813 2HA GLY 15 2HA GLY 15 3.399 -1.419 -0.512 814 H ARG 16 H ARG 16 6.213 -0.314 -2.407 815 HA ARG 16 HA ARG 16 6.587 1.830 -0.440 816 1HB ARG 16 2HB ARG 16 8.594 -0.229 -1.292 817 2HB ARG 16 3HB ARG 16 9.131 1.381 -0.828 818 1HG ARG 16 2HG ARG 16 8.103 1.113 1.360 819 2HG ARG 16 3HG ARG 16 7.514 -0.484 0.896 820 1HD ARG 16 2HD ARG 16 9.625 -1.420 0.941 821 2HD ARG 16 3HD ARG 16 10.429 0.130 0.701 822 HE ARG 16 HE ARG 16 10.473 0.402 2.966 823 1HH1 ARG 16 2HH1 ARG 16 8.083 -2.002 2.173 824 2HH1 ARG 16 1HH1 ARG 16 7.764 -2.417 3.824 825 1HH2 ARG 16 2HH2 ARG 16 10.063 -0.138 5.144 826 2HH2 ARG 16 1HH2 ARG 16 8.891 -1.356 5.513 827 H ALA 17 H ALA 17 8.104 0.589 -3.424 828 HA ALA 17 HA ALA 17 8.584 1.587 -5.414 829 1HB ALA 17 1HB ALA 17 7.089 3.154 -6.303 830 2HB ALA 17 2HB ALA 17 6.113 2.193 -5.191 831 3HB ALA 17 3HB ALA 17 6.676 3.795 -4.712 832 H ARG 18 H ARG 18 9.693 2.532 -2.665 833 HA ARG 18 HA ARG 18 10.442 5.202 -2.799 834 1HB ARG 18 2HB ARG 18 10.782 3.488 -0.905 835 2HB ARG 18 3HB ARG 18 12.274 3.066 -1.737 836 1HG ARG 18 2HG ARG 18 11.661 5.897 -0.965 837 2HG ARG 18 3HG ARG 18 12.395 4.762 0.170 838 1HD ARG 18 2HD ARG 18 13.819 4.522 -2.248 839 2HD ARG 18 3HD ARG 18 13.617 6.249 -1.952 840 HE ARG 18 HE ARG 18 14.444 5.106 0.437 841 1HH1 ARG 18 2HH1 ARG 18 15.676 5.544 -2.789 842 2HH1 ARG 18 1HH1 ARG 18 17.335 5.590 -2.290 843 1HH2 ARG 18 2HH2 ARG 18 16.623 5.166 1.108 844 2HH2 ARG 18 1HH2 ARG 18 17.871 5.374 -0.073 845 H GLY 19 H GLY 19 11.948 6.337 -3.891 846 1HA GLY 19 1HA GLY 19 13.991 6.620 -5.060 847 2HA GLY 19 2HA GLY 19 14.008 4.895 -5.396 848 H LEU 20 H LEU 20 11.081 5.139 -6.183 849 HA LEU 20 HA LEU 20 11.615 5.804 -8.963 850 1HB LEU 20 2HB LEU 20 9.451 4.350 -7.508 851 2HB LEU 20 3HB LEU 20 9.142 4.972 -9.129 852 HG LEU 20 HG LEU 20 11.605 3.461 -9.044 853 1HD1 LEU 20 1HD1 LEU 20 10.700 2.173 -7.280 854 2HD1 LEU 20 2HD1 LEU 20 10.440 1.245 -8.756 855 3HD1 LEU 20 3HD1 LEU 20 9.104 2.136 -8.028 856 1HD2 LEU 20 1HD2 LEU 20 9.032 3.437 -10.577 857 2HD2 LEU 20 2HD2 LEU 20 10.220 2.149 -10.785 858 3HD2 LEU 20 3HD2 LEU 20 10.661 3.820 -11.134 859 H CYS 21 H CYS 21 10.500 7.406 -10.203 860 HA CYS 21 HA CYS 21 9.256 9.416 -8.501 861 1HB CYS 21 2HB CYS 21 11.176 10.102 -9.923 862 2HB CYS 21 3HB CYS 21 10.268 9.660 -11.355 863 H TYR 22 H TYR 22 7.263 10.350 -9.211 864 HA TYR 22 HA TYR 22 5.604 8.525 -10.819 865 1HB TYR 22 2HB TYR 22 5.044 10.178 -8.395 866 2HB TYR 22 3HB TYR 22 3.732 9.879 -9.529 867 HD1 TYR 22 HD1 TYR 22 6.061 7.206 -9.533 868 HD2 TYR 22 HD2 TYR 22 2.761 8.806 -7.375 869 HE1 TYR 22 HE1 TYR 22 5.675 5.006 -8.502 870 HE2 TYR 22 HE2 TYR 22 2.368 6.611 -6.337 871 HH TYR 22 HH TYR 22 3.765 4.540 -5.824 872 H THR 23 H THR 23 6.617 11.829 -10.363 873 HA THR 23 HA THR 23 4.730 13.116 -11.999 874 HB THR 23 HB THR 23 7.591 13.865 -11.377 875 HG1 THR 23 HG1 THR 23 5.075 14.684 -10.314 876 1HG2 THR 23 1HG2 THR 23 5.421 15.388 -12.809 877 2HG2 THR 23 2HG2 THR 23 7.055 15.032 -13.371 878 3HG2 THR 23 3HG2 THR 23 6.805 16.177 -12.054 879 H CYS 24 H CYS 24 8.012 11.770 -12.790 880 HA CYS 24 HA CYS 24 7.295 12.149 -15.599 881 1HB CYS 24 2HB CYS 24 9.704 11.932 -16.072 882 2HB CYS 24 3HB CYS 24 9.365 13.263 -14.985 883 H GLY 25 H GLY 25 8.445 9.910 -13.128 884 1HA GLY 25 1HA GLY 25 7.750 7.634 -13.020 885 2HA GLY 25 2HA GLY 25 7.510 7.655 -14.762 886 H SER 26 H SER 26 10.358 8.802 -13.024 887 HA SER 26 HA SER 26 11.936 6.775 -14.457 888 1HB SER 26 2HB SER 26 12.258 9.532 -14.332 889 2HB SER 26 3HB SER 26 13.471 8.916 -13.211 890 HG SER 26 HG SER 26 14.518 8.766 -15.073 891 HA PRO 27 HA PRO 27 12.528 4.886 -10.467 892 1HB PRO 27 2HB PRO 27 14.167 2.906 -11.341 893 2HB PRO 27 3HB PRO 27 12.415 2.877 -11.576 894 1HG PRO 27 2HG PRO 27 14.570 3.667 -13.497 895 2HG PRO 27 3HG PRO 27 13.123 2.683 -13.782 896 1HD PRO 27 2HD PRO 27 13.268 5.296 -14.478 897 2HD PRO 27 3HD PRO 27 11.752 4.528 -13.966 898 H GLY 28 H GLY 28 13.742 6.783 -9.729 899 1HA GLY 28 1HA GLY 28 16.386 6.115 -8.973 900 2HA GLY 28 2HA GLY 28 16.426 7.288 -10.281 901 H HIS 29 H HIS 29 13.991 8.638 -9.459 902 HA HIS 29 HA HIS 29 14.760 9.770 -6.865 903 1HB HIS 29 2HB HIS 29 14.536 12.044 -7.704 904 2HB HIS 29 3HB HIS 29 15.758 11.181 -8.633 905 HD1 HIS 29 HD1 HIS 29 15.257 10.721 -11.113 906 HD2 HIS 29 HD2 HIS 29 12.212 12.731 -9.126 907 HE1 HIS 29 HE1 HIS 29 13.712 11.551 -12.915 908 H TYR 30 H TYR 30 12.976 11.618 -6.397 909 HA TYR 30 HA TYR 30 10.367 10.324 -6.849 910 1HB TYR 30 2HB TYR 30 11.700 11.057 -4.410 911 2HB TYR 30 3HB TYR 30 10.202 11.968 -4.559 912 HD1 TYR 30 HD1 TYR 30 11.380 8.459 -5.122 913 HD2 TYR 30 HD2 TYR 30 8.344 11.018 -3.592 914 HE1 TYR 30 HE1 TYR 30 10.115 6.493 -4.357 915 HE2 TYR 30 HE2 TYR 30 7.072 9.059 -2.821 916 HH TYR 30 HH TYR 30 7.845 6.510 -2.156 917 H GLN 31 H GLN 31 8.493 11.838 -6.638 918 HA GLN 31 HA GLN 31 8.583 13.851 -8.519 919 1HB GLN 31 2HB GLN 31 6.460 13.005 -7.907 920 2HB GLN 31 3HB GLN 31 6.713 13.379 -6.207 921 1HG GLN 31 2HG GLN 31 6.318 15.643 -6.515 922 2HG GLN 31 3HG GLN 31 6.620 15.559 -8.249 923 1HE2 GLN 31 1HE2 GLN 31 4.308 16.475 -6.521 924 2HE2 GLN 31 2HE2 GLN 31 2.932 15.696 -7.216 925 H ALA 32 H ALA 32 9.100 14.060 -5.039 926 HA ALA 32 HA ALA 32 9.109 16.837 -4.756 927 1HB ALA 32 1HB ALA 32 10.100 14.546 -3.213 928 2HB ALA 32 2HB ALA 32 10.941 16.067 -2.909 929 3HB ALA 32 3HB ALA 32 9.193 15.965 -2.688 930 H GLN 33 H GLN 33 11.386 14.744 -6.259 931 HA GLN 33 HA GLN 33 13.222 17.019 -6.603 932 1HB GLN 33 2HB GLN 33 13.855 14.149 -5.982 933 2HB GLN 33 3HB GLN 33 15.025 15.173 -6.803 934 1HG GLN 33 2HG GLN 33 15.287 16.566 -4.964 935 2HG GLN 33 3HG GLN 33 13.776 16.036 -4.227 936 1HE2 GLN 33 1HE2 GLN 33 14.372 15.195 -2.343 937 2HE2 GLN 33 2HE2 GLN 33 15.552 13.951 -2.130 938 H CYS 34 H CYS 34 10.970 16.130 -8.345 939 HA CYS 34 HA CYS 34 12.126 14.680 -10.485 940 1HB CYS 34 2HB CYS 34 9.671 14.746 -9.928 941 2HB CYS 34 3HB CYS 34 9.621 16.392 -10.528 942 HA PRO 35 HA PRO 35 14.366 18.148 -12.168 943 1HB PRO 35 2HB PRO 35 15.078 16.941 -14.493 944 2HB PRO 35 3HB PRO 35 15.851 16.577 -12.947 945 1HG PRO 35 2HG PRO 35 13.705 15.071 -14.391 946 2HG PRO 35 3HG PRO 35 15.139 14.449 -13.554 947 1HD PRO 35 2HD PRO 35 12.673 14.424 -12.435 948 2HD PRO 35 3HD PRO 35 14.155 14.619 -11.477 949 H LYS 36 H LYS 36 11.508 16.760 -13.414 950 HA LYS 36 HA LYS 36 11.318 18.704 -15.595 951 1HB LYS 36 2HB LYS 36 10.424 16.045 -15.268 952 2HB LYS 36 3HB LYS 36 8.982 17.049 -15.322 953 1HG LYS 36 2HG LYS 36 9.314 17.657 -17.486 954 2HG LYS 36 3HG LYS 36 11.072 17.541 -17.367 955 1HD LYS 36 2HD LYS 36 10.662 15.004 -17.129 956 2HD LYS 36 3HD LYS 36 9.057 15.356 -17.775 957 1HE LYS 36 2HE LYS 36 11.708 15.940 -19.090 958 2HE LYS 36 3HE LYS 36 10.539 14.713 -19.572 959 1HZ LYS 36 1HZ LYS 36 9.101 17.026 -19.556 960 2HZ LYS 36 2HZ LYS 36 9.728 16.260 -20.927 961 3HZ LYS 36 3HZ LYS 36 10.597 17.507 -20.184 962 H LYS 37 H LYS 37 10.690 18.650 -12.393 963 HA LYS 37 HA LYS 37 8.079 19.582 -12.098 964 1HB LYS 37 2HB LYS 37 10.583 19.770 -10.506 965 2HB LYS 37 3HB LYS 37 9.281 20.877 -10.087 966 1HG LYS 37 2HG LYS 37 8.261 18.211 -10.419 967 2HG LYS 37 3HG LYS 37 9.595 18.230 -9.264 968 1HD LYS 37 2HD LYS 37 8.448 19.476 -7.754 969 2HD LYS 37 3HD LYS 37 7.587 20.386 -8.999 970 1HE LYS 37 2HE LYS 37 6.796 17.630 -9.082 971 2HE LYS 37 3HE LYS 37 6.629 18.247 -7.440 972 1HZ LYS 37 1HZ LYS 37 5.376 19.304 -9.907 973 2HZ LYS 37 2HZ LYS 37 5.405 20.169 -8.455 974 3HZ LYS 37 3HZ LYS 37 4.606 18.681 -8.536 975 H ARG 38 H ARG 38 10.915 21.170 -13.292 976 HA ARG 38 HA ARG 38 9.406 23.394 -14.230 977 1HB ARG 38 2HB ARG 38 10.190 23.687 -11.624 978 2HB ARG 38 3HB ARG 38 11.527 24.437 -12.484 979 1HG ARG 38 2HG ARG 38 10.326 26.281 -12.686 980 2HG ARG 38 3HG ARG 38 9.163 25.394 -13.674 981 1HD ARG 38 2HD ARG 38 8.047 24.658 -11.567 982 2HD ARG 38 3HD ARG 38 9.133 25.725 -10.679 983 HE ARG 38 HE ARG 38 6.803 26.483 -12.138 984 1HH1 ARG 38 2HH1 ARG 38 9.974 27.550 -11.175 985 2HH1 ARG 38 1HH1 ARG 38 9.574 29.234 -11.255 986 1HH2 ARG 38 2HH2 ARG 38 6.265 28.696 -12.248 987 2HH2 ARG 38 1HH2 ARG 38 7.464 29.885 -11.865 988 H LYS 39 H LYS 39 11.333 25.247 -14.696 989 HA LYS 39 HA LYS 39 13.002 23.872 -16.628 990 1HB LYS 39 2HB LYS 39 11.818 26.466 -16.400 991 2HB LYS 39 3HB LYS 39 13.554 26.658 -16.594 992 1HG LYS 39 2HG LYS 39 12.483 24.694 -18.427 993 2HG LYS 39 3HG LYS 39 11.696 26.264 -18.603 994 1HD LYS 39 2HD LYS 39 13.815 27.350 -18.937 995 2HD LYS 39 3HD LYS 39 14.685 25.858 -18.571 996 1HE LYS 39 2HE LYS 39 13.562 24.818 -20.549 997 2HE LYS 39 3HE LYS 39 12.911 26.407 -20.946 998 1HZ LYS 39 1HZ LYS 39 15.110 25.604 -22.022 999 2HZ LYS 39 2HZ LYS 39 15.808 26.089 -20.560 1000 3HZ LYS 39 3HZ LYS 39 14.970 27.210 -21.511 1001 H SER 40 H SER 40 15.286 24.941 -16.905 1002 HA SER 40 HA SER 40 16.601 25.614 -14.424 1003 1HB SER 40 2HB SER 40 17.798 23.240 -15.767 1004 2HB SER 40 3HB SER 40 17.825 23.704 -14.066 1005 HG SER 40 HG SER 40 15.901 22.787 -13.764 1006 H GLY 41 H GLY 41 19.206 25.225 -15.077 1007 1HA GLY 41 1HA GLY 41 19.862 25.940 -17.750 1008 2HA GLY 41 2HA GLY 41 19.822 27.367 -16.724 1009 H ASN 42 H ASN 42 22.017 27.777 -16.883 1010 HA ASN 42 HA ASN 42 23.673 26.169 -15.132 1011 1HB ASN 42 2HB ASN 42 24.442 26.620 -18.025 1012 2HB ASN 42 3HB ASN 42 25.487 25.922 -16.791 1013 1HD2 ASN 42 1HD2 ASN 42 23.237 25.294 -19.184 1014 2HD2 ASN 42 2HD2 ASN 42 22.914 23.638 -18.810 1015 H SER 43 H SER 43 25.975 27.200 -15.075 1016 HA SER 43 HA SER 43 26.386 29.870 -15.795 1017 1HB SER 43 2HB SER 43 24.492 29.742 -13.802 1018 2HB SER 43 3HB SER 43 25.981 30.001 -12.892 1019 HG SER 43 HG SER 43 26.304 31.713 -14.645 1020 H ARG 44 H ARG 44 28.031 30.892 -14.010 1021 HA ARG 44 HA ARG 44 30.340 29.309 -14.174 1022 1HB ARG 44 2HB ARG 44 31.416 31.011 -12.829 1023 2HB ARG 44 3HB ARG 44 30.349 31.776 -13.999 1024 1HG ARG 44 2HG ARG 44 29.020 31.245 -11.475 1025 2HG ARG 44 3HG ARG 44 30.438 32.278 -11.294 1026 1HD ARG 44 2HD ARG 44 28.511 32.850 -13.492 1027 2HD ARG 44 3HD ARG 44 28.074 33.293 -11.843 1028 HE ARG 44 HE ARG 44 30.680 34.212 -12.496 1029 1HH1 ARG 44 2HH1 ARG 44 27.301 34.880 -12.995 1030 2HH1 ARG 44 1HH1 ARG 44 27.540 36.577 -13.250 1031 1HH2 ARG 44 2HH2 ARG 44 31.008 36.444 -12.831 1032 2HH2 ARG 44 1HH2 ARG 44 29.650 37.465 -13.158 1033 H GLU 45 H GLU 45 31.652 29.355 -11.809 1034 HA GLU 45 HA GLU 45 30.023 27.602 -10.089 1035 1HB GLU 45 2HB GLU 45 33.021 27.456 -10.382 1036 2HB GLU 45 3HB GLU 45 31.954 26.288 -9.615 1037 1HG GLU 45 2HG GLU 45 32.064 25.174 -11.533 1038 2HG GLU 45 3HG GLU 45 30.964 26.399 -12.161 1039 H ARG 46 H ARG 46 30.471 30.539 -9.961 1040 HA ARG 46 HA ARG 46 31.886 30.720 -7.389 1041 1HB ARG 46 2HB ARG 46 32.446 32.191 -9.497 1042 2HB ARG 46 3HB ARG 46 31.057 33.127 -8.960 1043 1HG ARG 46 2HG ARG 46 32.094 33.764 -6.980 1044 2HG ARG 46 3HG ARG 46 33.278 32.458 -7.070 1045 1HD ARG 46 2HD ARG 46 34.483 34.380 -7.646 1046 2HD ARG 46 3HD ARG 46 34.121 33.608 -9.188 1047 HE ARG 46 HE ARG 46 32.143 35.530 -8.470 1048 1HH1 ARG 46 2HH1 ARG 46 35.333 35.163 -9.815 1049 2HH1 ARG 46 1HH1 ARG 46 35.263 36.637 -10.722 1050 1HH2 ARG 46 2HH2 ARG 46 32.038 37.474 -9.659 1051 2HH2 ARG 46 1HH2 ARG 46 33.388 37.952 -10.631 1052 H CYS 47 H CYS 47 30.928 32.617 -5.913 1053 HA CYS 47 HA CYS 47 28.015 32.312 -5.998 1054 1HB CYS 47 2HB CYS 47 28.983 30.939 -4.189 1055 2HB CYS 47 3HB CYS 47 29.768 32.355 -3.519 1056 H GLN 48 H GLN 48 27.130 34.234 -6.345 1057 HA GLN 48 HA GLN 48 28.635 36.681 -5.818 1058 1HB GLN 48 2HB GLN 48 27.010 35.882 -7.924 1059 2HB GLN 48 3HB GLN 48 26.013 37.027 -7.035 1060 1HG GLN 48 2HG GLN 48 28.814 37.805 -7.603 1061 2HG GLN 48 3HG GLN 48 27.681 37.772 -8.954 1062 1HE2 GLN 48 1HE2 GLN 48 25.623 38.955 -8.595 1063 2HE2 GLN 48 2HE2 GLN 48 25.695 40.446 -7.725 1064 H LEU 49 H LEU 49 27.409 35.118 -3.658 1065 HA LEU 49 HA LEU 49 25.616 37.203 -2.605 1066 1HB LEU 49 2HB LEU 49 25.047 34.460 -3.045 1067 2HB LEU 49 3HB LEU 49 25.121 34.719 -1.304 1068 HG LEU 49 HG LEU 49 23.508 36.674 -2.807 1069 1HD1 LEU 49 1HD1 LEU 49 21.648 34.734 -2.518 1070 2HD1 LEU 49 2HD1 LEU 49 23.045 33.781 -3.017 1071 3HD1 LEU 49 3HD1 LEU 49 22.472 35.104 -4.033 1072 1HD2 LEU 49 1HD2 LEU 49 23.191 37.005 -0.596 1073 2HD2 LEU 49 2HD2 LEU 49 23.564 35.333 -0.179 1074 3HD2 LEU 49 3HD2 LEU 49 21.971 35.750 -0.811 1075 H CYS 50 H CYS 50 28.143 34.744 -1.916 1076 HA CYS 50 HA CYS 50 28.682 36.260 0.528 1077 1HB CYS 50 2HB CYS 50 29.036 34.330 1.819 1078 2HB CYS 50 3HB CYS 50 27.546 34.008 0.954 1079 H ASN 51 H ASN 51 29.606 35.941 -2.402 1080 HA ASN 51 HA ASN 51 31.541 36.053 -3.593 1081 1HB ASN 51 2HB ASN 51 31.999 37.713 -1.680 1082 2HB ASN 51 3HB ASN 51 33.010 36.446 -0.992 1083 1HD2 ASN 51 1HD2 ASN 51 34.238 38.711 -1.524 1084 2HD2 ASN 51 2HD2 ASN 51 35.221 38.595 -2.941 1085 H GLY 52 H GLY 52 30.659 33.502 -2.197 1086 1HA GLY 52 1HA GLY 52 32.967 32.014 -1.509 1087 2HA GLY 52 2HA GLY 52 31.405 31.343 -1.955 1088 H MET 53 H MET 53 33.914 30.234 -2.668 1089 HA MET 53 HA MET 53 33.804 30.561 -5.594 1090 1HB MET 53 2HB MET 53 36.031 30.920 -3.838 1091 2HB MET 53 3HB MET 53 36.340 29.520 -4.855 1092 1HG MET 53 2HG MET 53 35.465 31.230 -6.717 1093 2HG MET 53 3HG MET 53 36.140 32.374 -5.561 1094 1HE MET 53 1HE MET 53 36.507 29.458 -7.772 1095 2HE MET 53 2HE MET 53 38.190 29.451 -8.300 1096 3HE MET 53 3HE MET 53 37.732 28.643 -6.800 1097 H GLY 54 H GLY 54 32.554 28.825 -6.107 1098 1HA GLY 54 1HA GLY 54 33.379 26.394 -6.674 1099 2HA GLY 54 2HA GLY 54 33.196 26.220 -4.936 1100 H HIS 55 H HIS 55 30.938 27.318 -4.240 1101 HA HIS 55 HA HIS 55 28.948 25.703 -5.597 1102 1HB HIS 55 2HB HIS 55 27.473 26.372 -3.728 1103 2HB HIS 55 3HB HIS 55 28.986 25.671 -3.164 1104 HD1 HIS 55 HD1 HIS 55 30.825 27.483 -2.346 1105 HD2 HIS 55 HD2 HIS 55 26.910 28.829 -2.699 1106 HE1 HIS 55 HE1 HIS 55 30.726 29.618 -1.022 1107 H ASN 56 H ASN 56 26.628 27.007 -5.362 1108 HA ASN 56 HA ASN 56 26.996 29.438 -6.987 1109 1HB ASN 56 2HB ASN 56 26.074 27.518 -8.264 1110 2HB ASN 56 3HB ASN 56 24.712 27.458 -7.148 1111 1HD2 ASN 56 1HD2 ASN 56 26.363 29.487 -9.501 1112 2HD2 ASN 56 2HD2 ASN 56 24.972 30.406 -9.956 1113 H ALA 57 H ALA 57 25.507 31.143 -6.694 1114 HA ALA 57 HA ALA 57 24.817 31.734 -4.067 1115 1HB ALA 57 1HB ALA 57 23.264 33.464 -5.208 1116 2HB ALA 57 2HB ALA 57 25.008 33.584 -5.445 1117 3HB ALA 57 3HB ALA 57 23.994 32.879 -6.704 1118 H LYS 58 H LYS 58 22.869 30.336 -6.661 1119 HA LYS 58 HA LYS 58 20.381 30.414 -5.364 1120 1HB LYS 58 2HB LYS 58 21.235 29.647 -7.831 1121 2HB LYS 58 3HB LYS 58 20.885 28.085 -7.103 1122 1HG LYS 58 2HG LYS 58 18.667 29.490 -6.420 1123 2HG LYS 58 3HG LYS 58 19.069 30.208 -7.982 1124 1HD LYS 58 2HD LYS 58 19.359 27.672 -8.671 1125 2HD LYS 58 3HD LYS 58 18.254 27.423 -7.317 1126 1HE LYS 58 2HE LYS 58 16.895 29.340 -8.478 1127 2HE LYS 58 3HE LYS 58 17.808 28.846 -9.903 1128 1HZ LYS 58 1HZ LYS 58 16.940 26.494 -8.890 1129 2HZ LYS 58 2HZ LYS 58 16.202 27.340 -10.155 1130 3HZ LYS 58 3HZ LYS 58 15.633 27.520 -8.572 1131 H GLN 59 H GLN 59 23.133 28.389 -4.909 1132 HA GLN 59 HA GLN 59 21.563 26.657 -3.114 1133 1HB GLN 59 2HB GLN 59 22.917 25.761 -5.233 1134 2HB GLN 59 3HB GLN 59 24.241 25.788 -4.076 1135 1HG GLN 59 2HG GLN 59 22.045 24.579 -2.788 1136 2HG GLN 59 3HG GLN 59 22.169 23.861 -4.394 1137 1HE2 GLN 59 1HE2 GLN 59 24.667 23.567 -4.962 1138 2HE2 GLN 59 2HE2 GLN 59 25.534 22.667 -3.770 1139 H CYS 60 H CYS 60 23.127 29.372 -2.742 1140 HA CYS 60 HA CYS 60 25.200 28.539 -0.942 1141 1HB CYS 60 2HB CYS 60 25.545 30.528 -2.309 1142 2HB CYS 60 3HB CYS 60 24.117 31.289 -1.635 1143 H ARG 61 H ARG 61 24.997 28.429 1.228 1144 HA ARG 61 HA ARG 61 22.340 28.587 2.380 1145 1HB ARG 61 2HB ARG 61 24.271 26.799 2.771 1146 2HB ARG 61 3HB ARG 61 24.737 27.938 4.028 1147 1HG ARG 61 2HG ARG 61 22.707 27.662 5.179 1148 2HG ARG 61 3HG ARG 61 21.945 26.860 3.804 1149 1HD ARG 61 2HD ARG 61 24.099 25.252 4.273 1150 2HD ARG 61 3HD ARG 61 23.680 25.775 5.903 1151 HE ARG 61 HE ARG 61 21.820 24.455 5.797 1152 1HH1 ARG 61 2HH1 ARG 61 22.986 25.013 2.564 1153 2HH1 ARG 61 1HH1 ARG 61 21.864 23.916 1.831 1154 1HH2 ARG 61 2HH2 ARG 61 20.338 23.008 4.842 1155 2HH2 ARG 61 1HH2 ARG 61 20.358 22.776 3.127 1156 H LYS 62 H LYS 62 22.892 31.078 1.741 1157 HA LYS 62 HA LYS 62 24.405 32.686 3.397 1158 1HB LYS 62 2HB LYS 62 22.903 34.515 2.774 1159 2HB LYS 62 3HB LYS 62 23.281 33.509 1.383 1160 1HG LYS 62 2HG LYS 62 20.839 32.802 2.880 1161 2HG LYS 62 3HG LYS 62 20.807 34.324 1.985 1162 1HD LYS 62 2HD LYS 62 21.811 32.839 0.062 1163 2HD LYS 62 3HD LYS 62 21.067 31.527 0.980 1164 1HE LYS 62 2HE LYS 62 18.951 32.984 0.953 1165 2HE LYS 62 3HE LYS 62 19.758 33.892 -0.326 1166 1HZ LYS 62 1HZ LYS 62 18.667 32.361 -1.571 1167 2HZ LYS 62 2HZ LYS 62 18.689 31.172 -0.367 1168 3HZ LYS 62 3HZ LYS 62 20.079 31.474 -1.282 1169 H ARG 63 H ARG 63 23.986 33.866 5.283 1170 HA ARG 63 HA ARG 63 21.952 32.650 7.015 1171 1HB ARG 63 2HB ARG 63 24.256 34.390 7.888 1172 2HB ARG 63 3HB ARG 63 23.273 33.321 8.881 1173 1HG ARG 63 2HG ARG 63 24.882 31.814 8.638 1174 2HG ARG 63 3HG ARG 63 24.344 31.641 6.966 1175 1HD ARG 63 2HD ARG 63 26.587 32.083 6.684 1176 2HD ARG 63 3HD ARG 63 25.890 33.698 6.552 1177 HE ARG 63 HE ARG 63 26.510 33.341 9.218 1178 1HH1 ARG 63 2HH1 ARG 63 28.218 33.379 6.185 1179 2HH1 ARG 63 1HH1 ARG 63 29.696 33.965 6.875 1180 1HH2 ARG 63 2HH2 ARG 63 28.450 34.113 10.138 1181 2HH2 ARG 63 1HH2 ARG 63 29.826 34.381 9.124 1182 H ASP 64 H ASP 64 20.828 34.360 5.292 1183 HA ASP 64 HA ASP 64 20.506 36.891 6.758 1184 1HB ASP 64 2HB ASP 64 21.181 37.226 4.456 1185 2HB ASP 64 3HB ASP 64 19.876 36.191 3.885 Start of MODEL 8 1 1H5* C 160 1H5* C 160 26.877 20.362 -4.316 2 2H5* C 160 2H5* C 160 25.327 21.186 -4.486 3 H4* C 160 H4* C 160 25.913 21.341 -2.210 4 H3* C 160 H3* C 160 26.359 23.923 -3.688 5 H2* C 160 H2* C 160 26.923 24.984 -1.634 6 2HO* C 160 2HO* C 160 26.466 22.465 -0.352 7 H1* C 160 H1* C 160 28.698 22.945 -0.886 8 1H4 C 160 1H4 C 160 32.498 27.254 -3.646 9 2H4 C 160 2H4 C 160 31.920 26.765 -5.223 10 H5 C 160 H5 C 160 30.203 25.178 -5.560 11 H6 C 160 H6 C 160 28.603 23.656 -4.456 12 1H5* U 161 1H5* U 161 23.888 24.804 -0.356 13 2H5* U 161 2H5* U 161 22.481 25.745 -0.849 14 H4* U 161 H4* U 161 23.443 26.920 0.943 15 H3* U 161 H3* U 161 24.081 28.183 -1.710 16 H2* U 161 H2* U 161 25.157 29.983 -0.582 17 2HO* U 161 2HO* U 161 25.010 29.287 1.975 18 H1* U 161 H1* U 161 26.672 28.282 1.040 19 H3 U 161 H3 U 161 29.658 30.078 -1.893 20 H5 U 161 H5 U 161 27.759 27.041 -4.064 21 H6 U 161 H6 U 161 26.205 26.804 -2.183 22 1H5* G 162 1H5* G 162 22.436 30.911 0.932 23 2H5* G 162 2H5* G 162 21.166 31.958 0.300 24 H4* G 162 H4* G 162 22.741 33.363 1.360 25 H3* G 162 H3* G 162 22.874 33.469 -1.637 26 H2* G 162 H2* G 162 24.543 35.165 -1.513 27 2HO* G 162 2HO* G 162 24.869 36.162 0.508 28 H1* G 162 H1* G 162 26.116 33.728 0.288 29 H8 G 162 H8 G 162 24.648 31.261 -2.043 30 H1 G 162 H1 G 162 29.681 34.431 -4.590 31 1H2 G 162 1H2 G 162 30.170 36.031 -3.384 32 2H2 G 162 2H2 G 162 29.339 36.452 -1.903 33 1H5* C 163 1H5* C 163 22.746 37.221 -0.136 34 2H5* C 163 2H5* C 163 21.606 38.353 -0.863 35 H4* C 163 H4* C 163 23.702 39.419 -0.907 36 H3* C 163 H3* C 163 22.888 38.359 -3.598 37 H2* C 163 H2* C 163 24.837 39.303 -4.572 38 2HO* C 163 2HO* C 163 25.442 41.123 -3.558 39 H1* C 163 H1* C 163 26.535 38.290 -2.575 40 1H4 C 163 1H4 C 163 26.892 34.030 -7.322 41 2H4 C 163 2H4 C 163 25.426 33.277 -6.735 42 H5 C 163 H5 C 163 24.124 34.135 -4.962 43 H6 C 163 H6 C 163 23.905 35.946 -3.299 44 1H5* C 164 1H5* C 164 23.796 42.432 -4.326 45 2H5* C 164 2H5* C 164 22.473 43.186 -5.216 46 H4* C 164 H4* C 164 24.444 43.608 -6.446 47 H3* C 164 H3* C 164 22.702 41.497 -7.682 48 H2* C 164 H2* C 164 24.185 41.338 -9.533 49 2HO* C 164 2HO* C 164 25.919 42.960 -9.596 50 H1* C 164 H1* C 164 26.465 41.191 -7.881 51 1H4 C 164 1H4 C 164 25.174 35.105 -9.300 52 2H4 C 164 2H4 C 164 23.897 35.102 -8.105 53 H5 C 164 H5 C 164 23.221 37.015 -6.895 54 H6 C 164 H6 C 164 23.608 39.427 -6.533 55 1H5* C 165 1H5* C 165 23.654 44.202 -10.523 56 2H5* C 165 2H5* C 165 22.323 44.875 -11.464 57 H4* C 165 H4* C 165 23.846 44.106 -13.057 58 H3* C 165 H3* C 165 21.603 42.130 -12.691 59 H2* C 165 H2* C 165 22.488 40.823 -14.464 60 2HO* C 165 2HO* C 165 24.016 41.812 -15.831 61 H1* C 165 H1* C 165 25.114 40.942 -13.464 62 1H4 C 165 1H4 C 165 22.891 35.391 -11.244 63 2H4 C 165 2H4 C 165 21.991 36.245 -10.011 64 H5 C 165 H5 C 165 21.864 38.599 -9.866 65 H6 C 165 H6 C 165 22.575 40.735 -10.880 66 1H5* U 166 1H5* U 166 22.021 42.899 -16.603 67 2H5* U 166 2H5* U 166 20.585 43.464 -17.456 68 H4* U 166 H4* U 166 21.405 41.745 -18.793 69 H3* U 166 H3* U 166 19.140 40.751 -17.082 70 H2* U 166 H2* U 166 19.255 38.641 -18.167 71 2HO* U 166 2HO* U 166 21.060 38.682 -19.938 72 H1* U 166 H1* U 166 22.037 38.450 -17.900 73 H3 U 166 H3 U 166 20.430 35.332 -15.009 74 H5 U 166 H5 U 166 19.890 38.970 -13.004 75 H6 U 166 H6 U 166 20.565 40.097 -15.074 76 1H5* C 167 1H5* C 167 17.629 40.287 -21.357 77 2H5* C 167 2H5* C 167 15.871 40.208 -21.248 78 H4* C 167 H4* C 167 16.974 38.161 -22.168 79 H3* C 167 H3* C 167 15.162 38.009 -19.770 80 H2* C 167 H2* C 167 15.314 35.635 -19.836 81 2HO* C 167 2HO* C 167 16.653 34.826 -21.736 82 H1* C 167 H1* C 167 18.115 35.672 -20.076 83 1H4 C 167 1H4 C 167 17.001 34.854 -13.836 84 2H4 C 167 2H4 C 167 16.843 36.588 -13.659 85 H5 C 167 H5 C 167 16.869 38.104 -15.469 86 H6 C 167 H6 C 167 17.057 38.333 -17.921 87 1H5* A 168 1H5* A 168 12.514 39.782 -20.597 88 2H5* A 168 2H5* A 168 13.883 39.608 -19.498 89 H4* A 168 H4* A 168 11.102 38.972 -18.557 90 H3* A 168 H3* A 168 12.232 41.725 -18.992 91 H2* A 168 H2* A 168 11.154 42.468 -17.005 92 2HO* A 168 2HO* A 168 9.362 41.345 -16.477 93 H1* A 168 H1* A 168 12.099 40.309 -15.491 94 H8 A 168 H8 A 168 13.432 42.927 -17.927 95 1H6 A 168 1H6 A 168 17.657 44.206 -13.514 96 2H6 A 168 2H6 A 168 17.051 44.695 -15.081 97 H2 A 168 H2 A 168 15.263 40.711 -12.175 98 1H5* U 169 1H5* U 169 6.727 42.645 -21.275 99 2H5* U 169 2H5* U 169 8.140 42.220 -22.239 100 H4* U 169 H4* U 169 8.663 44.809 -21.312 101 H3* U 169 H3* U 169 5.741 44.462 -21.701 102 H2* U 169 H2* U 169 5.553 46.350 -23.127 103 2HO* U 169 2HO* U 169 8.197 47.033 -23.281 104 H1* U 169 H1* U 169 7.560 45.600 -24.840 105 H3 U 169 H3 U 169 3.492 44.586 -26.749 106 H5 U 169 H5 U 169 4.633 41.165 -24.618 107 H6 U 169 H6 U 169 6.442 42.499 -23.639 108 1H5* C 170 1H5* C 170 6.655 43.883 -19.318 109 2H5* C 170 2H5* C 170 5.017 43.290 -19.035 110 H4* C 170 H4* C 170 6.204 42.315 -17.317 111 H3* C 170 H3* C 170 4.994 44.872 -16.274 112 H2* C 170 H2* C 170 5.778 44.312 -14.106 113 2HO* C 170 2HO* C 170 5.271 42.089 -14.331 114 H1* C 170 H1* C 170 8.336 43.572 -15.075 115 1H4 C 170 1H4 C 170 8.888 49.510 -12.719 116 2H4 C 170 2H4 C 170 8.573 50.120 -14.329 117 H5 C 170 H5 C 170 7.946 48.757 -16.153 118 H6 C 170 H6 C 170 7.463 46.451 -16.890 119 1H5* C 171 1H5* C 171 0.629 45.258 -16.299 120 2H5* C 171 2H5* C 171 1.455 46.599 -15.506 121 H4* C 171 H4* C 171 0.347 44.147 -14.384 122 H3* C 171 H3* C 171 1.090 46.877 -13.342 123 H2* C 171 H2* C 171 0.861 46.052 -11.130 124 2HO* C 171 2HO* C 171 0.112 43.515 -12.196 125 H1* C 171 H1* C 171 2.309 43.691 -11.706 126 1H4 C 171 1H4 C 171 6.392 47.728 -8.851 127 2H4 C 171 2H4 C 171 6.885 48.267 -10.441 128 H5 C 171 H5 C 171 5.828 47.596 -12.443 129 H6 C 171 H6 C 171 4.021 46.228 -13.423 130 1H5* G 172 1H5* G 172 -3.342 46.676 -11.157 131 2H5* G 172 2H5* G 172 -3.659 48.279 -11.821 132 H4* G 172 H4* G 172 -4.002 48.190 -9.398 133 H3* G 172 H3* G 172 -1.866 50.001 -10.487 134 H2* G 172 H2* G 172 -1.485 50.858 -8.297 135 2HO* G 172 2HO* G 172 -2.999 50.165 -6.639 136 H1* G 172 H1* G 172 -1.278 48.317 -7.156 137 H8 G 172 H8 G 172 0.247 48.345 -10.571 138 H1 G 172 H1 G 172 4.217 50.505 -5.939 139 1H2 G 172 1H2 G 172 3.159 50.757 -4.187 140 2H2 G 172 2H2 G 172 1.451 50.431 -4.000 141 1H5* U 173 1H5* U 173 -4.431 52.679 -8.023 142 2H5* U 173 2H5* U 173 -4.420 54.226 -8.868 143 H4* U 173 H4* U 173 -3.595 54.369 -6.546 144 H3* U 173 H3* U 173 -1.769 55.138 -8.812 145 H2* U 173 H2* U 173 -0.160 55.891 -7.237 146 2HO* U 173 2HO* U 173 -1.092 56.672 -5.441 147 H1* U 173 H1* U 173 -0.420 53.564 -5.652 148 H3 U 173 H3 U 173 3.802 53.581 -7.455 149 H5 U 173 H5 U 173 1.340 51.924 -10.411 150 H6 U 173 H6 U 173 -0.582 52.578 -9.037 151 1H5* C 174 1H5* C 174 -1.636 58.654 -6.408 152 2H5* C 174 2H5* C 174 -2.158 59.978 -7.452 153 H4* C 174 H4* C 174 -0.131 60.690 -6.526 154 H3* C 174 H3* C 174 0.232 59.709 -9.344 155 H2* C 174 H2* C 174 2.521 60.322 -9.270 156 2HO* C 174 2HO* C 174 3.038 61.378 -7.013 157 H1* C 174 H1* C 174 2.870 59.171 -6.692 158 1H4 C 174 1H4 C 174 5.308 54.953 -10.842 159 2H4 C 174 2H4 C 174 3.709 54.265 -11.030 160 H5 C 174 H5 C 174 1.760 55.183 -10.064 161 H6 C 174 H6 C 174 0.853 57.006 -8.668 162 1H5* U 175 1H5* U 175 -1.903 64.333 -10.691 163 2H5* U 175 2H5* U 175 -2.500 63.272 -11.965 164 H4* U 175 H4* U 175 -0.079 63.694 -12.969 165 H3* U 175 H3* U 175 -0.329 65.847 -10.939 166 H2* U 175 H2* U 175 0.316 67.552 -12.461 167 2HO* U 175 2HO* U 175 1.566 66.867 -14.111 168 H1* U 175 H1* U 175 -1.507 66.854 -14.406 169 H3 U 175 H3 U 175 -3.040 70.571 -12.158 170 H5 U 175 H5 U 175 -4.588 67.273 -10.092 171 H6 U 175 H6 U 175 -3.127 65.856 -11.460 172 1H5* C 176 1H5* C 176 3.649 63.464 -8.613 173 2H5* C 176 2H5* C 176 3.566 65.006 -7.759 174 H4* C 176 H4* C 176 5.601 65.689 -8.490 175 H3* C 176 H3* C 176 4.929 64.362 -11.084 176 H2* C 176 H2* C 176 7.226 64.087 -11.621 177 2HO* C 176 2HO* C 176 8.749 65.115 -10.070 178 H1* C 176 H1* C 176 7.903 62.966 -9.177 179 1H4 C 176 1H4 C 176 6.349 58.007 -12.909 180 2H4 C 176 2H4 C 176 4.693 58.155 -12.362 181 H5 C 176 H5 C 176 3.915 59.909 -10.987 182 H6 C 176 H6 C 176 4.539 61.974 -9.784 183 1H5* G 177 1H5* G 177 7.745 67.403 -11.630 184 2H5* G 177 2H5* G 177 7.505 68.455 -13.024 185 H4* G 177 H4* G 177 9.730 67.595 -13.099 186 H3* G 177 H3* G 177 7.865 66.515 -15.184 187 H2* G 177 H2* G 177 9.641 65.256 -16.154 188 2HO* G 177 2HO* G 177 11.661 66.003 -15.748 189 H1* G 177 H1* G 177 10.414 64.143 -13.714 190 H8 G 177 H8 G 177 6.725 64.379 -13.650 191 H1 G 177 H1 G 177 8.855 59.357 -17.132 192 1H2 G 177 1H2 G 177 10.886 59.540 -17.433 193 2H2 G 177 2H2 G 177 11.867 60.857 -16.830 194 1H5* C 178 1H5* C 178 11.170 68.054 -17.774 195 2H5* C 178 2H5* C 178 10.299 68.814 -19.106 196 H4* C 178 H4* C 178 11.843 67.062 -19.862 197 H3* C 178 H3* C 178 8.900 66.719 -20.376 198 H2* C 178 H2* C 178 9.361 64.766 -21.653 199 2HO* C 178 2HO* C 178 11.292 64.877 -22.637 200 H1* C 178 H1* C 178 11.078 63.714 -19.679 201 1H4 C 178 1H4 C 178 5.479 60.840 -18.609 202 2H4 C 178 2H4 C 178 4.918 62.266 -17.766 203 H5 C 178 H5 C 178 6.147 64.278 -17.620 204 H6 C 178 H6 C 178 8.239 65.428 -18.254 205 1H5* U 179 1H5* U 179 10.917 66.565 -24.372 206 2H5* U 179 2H5* U 179 9.757 67.192 -25.543 207 H4* U 179 H4* U 179 10.568 64.859 -25.968 208 H3* U 179 H3* U 179 7.633 65.488 -25.734 209 H2* U 179 H2* U 179 7.122 63.251 -26.348 210 2HO* U 179 2HO* U 179 9.102 61.933 -26.926 211 H1* U 179 H1* U 179 8.970 62.148 -24.548 212 H3 U 179 H3 U 179 4.676 61.253 -23.119 213 H5 U 179 H5 U 179 5.697 64.952 -21.440 214 H6 U 179 H6 U 179 7.688 64.941 -22.873 215 1H5* U 180 1H5* U 180 8.244 63.593 -29.170 216 2H5* U 180 2H5* U 180 7.448 64.157 -30.640 217 H4* U 180 H4* U 180 6.829 61.886 -30.298 218 H3* U 180 H3* U 180 4.649 63.880 -29.793 219 H2* U 180 H2* U 180 3.112 62.144 -29.297 220 2HO* U 180 2HO* U 180 3.903 59.933 -29.714 221 H1* U 180 H1* U 180 4.966 60.801 -27.621 222 H3 U 180 H3 U 180 1.759 62.072 -24.689 223 H5 U 180 H5 U 180 3.706 65.652 -25.650 224 H6 U 180 H6 U 180 4.965 64.398 -27.341 225 1H5* A 181 1H5* A 181 3.448 62.979 -34.442 226 2H5* A 181 2H5* A 181 2.539 64.475 -34.661 227 H4* A 181 H4* A 181 1.211 62.323 -34.678 228 H3* A 181 H3* A 181 0.509 64.665 -32.926 229 H2* A 181 H2* A 181 -1.457 63.535 -32.217 230 2HO* A 181 2HO* A 181 -1.992 62.620 -34.202 231 H1* A 181 H1* A 181 -0.115 61.140 -31.684 232 H8 A 181 H8 A 181 1.963 64.114 -30.742 233 1H6 A 181 1H6 A 181 -0.880 63.918 -25.190 234 2H6 A 181 2H6 A 181 0.416 64.668 -26.092 235 H2 A 181 H2 A 181 -2.927 61.054 -27.901 236 1H5* U 182 1H5* U 182 -2.072 64.136 -36.551 237 2H5* U 182 2H5* U 182 -0.977 64.726 -37.802 238 H4* U 182 H4* U 182 -3.367 66.400 -37.338 239 H3* U 182 H3* U 182 -3.732 63.541 -37.803 240 H2* U 182 H2* U 182 -3.890 63.799 -40.084 241 2HO* U 182 2HO* U 182 -6.110 65.410 -39.939 242 H1* U 182 H1* U 182 -4.407 66.777 -39.559 243 H3 U 182 H3 U 182 -5.096 67.006 -44.071 244 H5 U 182 H5 U 182 -1.068 65.934 -43.654 245 H6 U 182 H6 U 182 -1.497 65.641 -41.257 246 1H5* U 183 1H5* U 183 -6.724 66.599 -35.339 247 2H5* U 183 2H5* U 183 -5.161 65.808 -35.132 248 H4* U 183 H4* U 183 -7.072 65.000 -33.086 249 H3* U 183 H3* U 183 -6.586 67.956 -33.457 250 H2* U 183 H2* U 183 -6.478 68.216 -31.140 251 2HO* U 183 2HO* U 183 -7.248 65.809 -30.226 252 H1* U 183 H1* U 183 -5.304 65.534 -30.867 253 H3 U 183 H3 U 183 -2.562 68.023 -28.239 254 H5 U 183 H5 U 183 -1.725 69.343 -32.125 255 H6 U 183 H6 U 183 -3.610 67.973 -32.890 256 1H5* C 184 1H5* C 184 -8.800 71.380 -31.995 257 2H5* C 184 2H5* C 184 -7.681 70.745 -33.201 258 H4* C 184 H4* C 184 -6.043 70.265 -31.425 259 H3* C 184 H3* C 184 -8.230 71.177 -29.606 260 H2* C 184 H2* C 184 -6.690 72.307 -28.194 261 2HO* C 184 2HO* C 184 -4.893 71.063 -28.197 262 H1* C 184 H1* C 184 -5.441 73.673 -30.248 263 1H4 C 184 1H4 C 184 -10.344 77.314 -28.237 264 2H4 C 184 2H4 C 184 -11.198 76.815 -29.680 265 H5 C 184 H5 C 184 -10.411 75.158 -31.168 266 H6 C 184 H6 C 184 -8.592 73.558 -31.643 267 1H5* G 185 1H5* G 185 -7.952 68.658 -25.359 268 2H5* G 185 2H5* G 185 -6.763 69.802 -24.735 269 H4* G 185 H4* G 185 -6.322 66.937 -25.579 270 H3* G 185 H3* G 185 -6.354 68.363 -22.954 271 H2* G 185 H2* G 185 -4.560 67.028 -22.130 272 2HO* G 185 2HO* G 185 -4.309 65.722 -24.630 273 H1* G 185 H1* G 185 -2.952 67.506 -24.361 274 H8 G 185 H8 G 185 -5.055 69.347 -21.794 275 H1 G 185 H1 G 185 0.717 72.020 -22.983 276 1H2 G 185 1H2 G 185 1.617 71.042 -24.560 277 2H2 G 185 2H2 G 185 0.913 69.697 -25.430 278 1H5* G 186 1H5* G 186 -7.629 64.872 -19.423 279 2H5* G 186 2H5* G 186 -8.154 66.546 -19.238 280 H4* G 186 H4* G 186 -5.309 65.592 -18.851 281 H3* G 186 H3* G 186 -7.568 65.819 -16.892 282 H2* G 186 H2* G 186 -6.070 66.616 -15.219 283 2HO* G 186 2HO* G 186 -3.958 66.485 -17.131 284 H1* G 186 H1* G 186 -4.968 68.560 -16.888 285 H8 G 186 H8 G 186 -8.684 67.917 -17.301 286 H1 G 186 H1 G 186 -7.199 72.521 -13.002 287 1H2 G 186 1H2 G 186 -5.157 72.570 -12.723 288 2H2 G 186 2H2 G 186 -4.016 71.521 -13.533 289 1H5* G 187 1H5* G 187 -6.365 60.411 -16.364 290 2H5* G 187 2H5* G 187 -5.492 61.699 -17.193 291 H4* G 187 H4* G 187 -7.957 60.260 -18.198 292 H3* G 187 H3* G 187 -5.036 59.983 -18.840 293 H2* G 187 H2* G 187 -5.578 59.493 -21.108 294 2HO* G 187 2HO* G 187 -8.330 59.884 -20.688 295 H1* G 187 H1* G 187 -7.258 61.704 -21.366 296 H8 G 187 H8 G 187 -4.499 62.856 -19.228 297 H1 G 187 H1 G 187 -2.792 62.474 -25.459 298 1H2 G 187 1H2 G 187 -4.235 61.439 -26.507 299 2H2 G 187 2H2 G 187 -5.691 60.773 -25.802 300 1H5* G 188 1H5* G 188 -6.767 57.013 -21.215 301 2H5* G 188 2H5* G 188 -6.229 55.511 -20.463 302 H4* G 188 H4* G 188 -5.820 55.148 -22.710 303 H3* G 188 H3* G 188 -3.289 56.061 -21.369 304 H2* G 188 H2* G 188 -2.107 55.756 -23.415 305 2HO* G 188 2HO* G 188 -4.385 55.048 -24.872 306 H1* G 188 H1* G 188 -3.986 57.195 -24.904 307 H8 G 188 H8 G 188 -3.739 58.978 -21.703 308 H1 G 188 H1 G 188 1.336 60.127 -25.551 309 1H2 G 188 1H2 G 188 1.331 58.785 -27.116 310 2H2 G 188 2H2 G 188 0.131 57.535 -27.352 311 1H5* A 189 1H5* A 189 -1.787 52.355 -23.325 312 2H5* A 189 2H5* A 189 -0.650 51.750 -22.120 313 H4* A 189 H4* A 189 0.341 52.307 -24.352 314 H3* A 189 H3* A 189 1.395 53.550 -21.819 315 H2* A 189 H2* A 189 3.171 54.521 -23.067 316 2HO* A 189 2HO* A 189 3.730 53.394 -24.843 317 H1* A 189 H1* A 189 1.437 55.468 -25.075 318 H8 A 189 H8 A 189 -0.086 55.908 -21.698 319 1H6 A 189 1H6 A 189 2.975 61.337 -21.361 320 2H6 A 189 2H6 A 189 1.756 60.346 -20.590 321 H2 A 189 H2 A 189 4.446 59.131 -24.925 322 1H5* G 190 1H5* G 190 4.551 51.521 -23.942 323 2H5* G 190 2H5* G 190 5.539 50.565 -22.838 324 H4* G 190 H4* G 190 6.991 51.889 -24.190 325 H3* G 190 H3* G 190 6.801 52.761 -21.321 326 H2* G 190 H2* G 190 8.487 54.399 -21.710 327 2HO* G 190 2HO* G 190 9.424 54.341 -23.936 328 H1* G 190 H1* G 190 7.219 55.414 -23.980 329 H8 G 190 H8 G 190 4.537 54.527 -21.600 330 H1 G 190 H1 G 190 7.457 60.107 -20.108 331 1H2 G 190 1H2 G 190 9.172 60.310 -21.236 332 2H2 G 190 2H2 G 190 9.734 59.143 -22.410 333 1H5* C 191 1H5* C 191 10.756 52.502 -22.086 334 2H5* C 191 2H5* C 191 11.598 51.342 -21.057 335 H4* C 191 H4* C 191 12.910 53.241 -20.892 336 H3* C 191 H3* C 191 11.041 53.111 -18.540 337 H2* C 191 H2* C 191 12.055 55.060 -17.631 338 2HO* C 191 2HO* C 191 14.155 55.186 -18.161 339 H1* C 191 H1* C 191 11.906 56.483 -20.033 340 1H4 C 191 1H4 C 191 6.561 58.183 -17.003 341 2H4 C 191 2H4 C 191 5.841 56.636 -17.389 342 H5 C 191 H5 C 191 6.993 54.885 -18.480 343 H6 C 191 H6 C 191 9.140 54.180 -19.476 344 1H5* G 192 1H5* G 192 15.198 53.314 -17.031 345 2H5* G 192 2H5* G 192 15.344 52.268 -15.618 346 H4* G 192 H4* G 192 16.140 54.472 -15.077 347 H3* G 192 H3* G 192 13.590 53.623 -13.736 348 H2* G 192 H2* G 192 13.592 55.635 -12.459 349 2HO* G 192 2HO* G 192 15.514 56.799 -12.373 350 H1* G 192 H1* G 192 13.981 57.256 -14.696 351 H8 G 192 H8 G 192 11.763 54.447 -15.686 352 H1 G 192 H1 G 192 8.638 59.167 -12.550 353 1H2 G 192 1H2 G 192 10.007 60.474 -11.730 354 2H2 G 192 2H2 G 192 11.743 60.313 -11.872 355 1H5* G 193 1H5* G 193 16.035 55.291 -10.904 356 2H5* G 193 2H5* G 193 16.242 54.252 -9.494 357 H4* G 193 H4* G 193 15.618 56.393 -8.699 358 H3* G 193 H3* G 193 13.428 54.348 -8.519 359 H2* G 193 H2* G 193 12.026 55.933 -7.426 360 2HO* G 193 2HO* G 193 13.331 58.160 -7.321 361 H1* G 193 H1* G 193 12.469 57.907 -9.349 362 H8 G 193 H8 G 193 12.346 54.700 -11.173 363 H1 G 193 H1 G 193 6.471 56.864 -9.533 364 1H2 G 193 1H2 G 193 6.659 58.419 -8.191 365 2H2 G 193 2H2 G 193 8.182 59.043 -7.600 366 1H5* A 194 1H5* A 194 13.534 56.147 -4.724 367 2H5* A 194 2H5* A 194 14.057 54.917 -3.573 368 H4* A 194 H4* A 194 12.267 55.927 -2.504 369 H3* A 194 H3* A 194 11.378 53.390 -3.838 370 H2* A 194 H2* A 194 9.175 53.695 -3.002 371 2HO* A 194 2HO* A 194 9.344 56.043 -1.740 372 H1* A 194 H1* A 194 8.986 56.331 -3.858 373 H8 A 194 H8 A 194 10.988 54.347 -6.314 374 1H6 A 194 1H6 A 194 5.568 52.797 -8.992 375 2H6 A 194 2H6 A 194 7.307 52.730 -9.170 376 H2 A 194 H2 A 194 4.684 54.862 -5.158 377 1H5* C 195 1H5* C 195 10.244 53.092 0.272 378 2H5* C 195 2H5* C 195 10.319 51.442 0.891 379 H4* C 195 H4* C 195 8.069 52.326 1.064 380 H3* C 195 H3* C 195 8.484 50.045 -0.857 381 H2* C 195 H2* C 195 6.133 49.939 -1.205 382 2HO* C 195 2HO* C 195 5.064 50.507 0.594 383 H1* C 195 H1* C 195 5.915 52.717 -1.593 384 1H4 C 195 1H4 C 195 6.292 50.219 -7.468 385 2H4 C 195 2H4 C 195 8.037 50.265 -7.348 386 H5 C 195 H5 C 195 9.206 50.872 -5.386 387 H6 C 195 H6 C 195 8.986 51.590 -3.034 388 1H5* G 196 1H5* G 196 5.339 48.280 1.758 389 2H5* G 196 2H5* G 196 6.135 46.797 2.283 390 H4* G 196 H4* G 196 4.040 46.143 1.442 391 H3* G 196 H3* G 196 6.283 45.554 -0.464 392 H2* G 196 H2* G 196 4.752 44.500 -1.956 393 2HO* G 196 2HO* G 196 2.582 44.177 -1.156 394 H1* G 196 H1* G 196 2.965 46.646 -1.901 395 H8 G 196 H8 G 196 6.408 48.026 -1.807 396 H1 G 196 H1 G 196 4.532 46.299 -7.755 397 1H2 G 196 1H2 G 196 2.784 45.212 -7.638 398 2H2 G 196 2H2 G 196 1.951 44.825 -6.149 399 1H5* A 197 1H5* A 197 8.841 42.137 1.537 400 2H5* A 197 2H5* A 197 9.526 42.526 -0.042 401 H4* A 197 H4* A 197 7.921 40.195 0.822 402 H3* A 197 H3* A 197 10.325 40.706 -0.833 403 H2* A 197 H2* A 197 9.830 39.021 -2.407 404 2HO* A 197 2HO* A 197 7.475 38.265 -1.041 405 H1* A 197 H1* A 197 7.253 39.719 -2.896 406 H8 A 197 H8 A 197 10.129 40.106 -4.190 407 1H6 A 197 1H6 A 197 9.644 46.196 -5.469 408 2H6 A 197 2H6 A 197 10.525 44.734 -5.850 409 H2 A 197 H2 A 197 6.580 45.168 -2.420 410 1H5* U 198 1H5* U 198 10.901 36.942 2.621 411 2H5* U 198 2H5* U 198 12.604 37.372 2.761 412 H4* U 198 H4* U 198 12.411 35.148 0.989 413 H3* U 198 H3* U 198 10.665 34.885 3.426 414 H2* U 198 H2* U 198 11.482 32.759 3.831 415 2HO* U 198 2HO* U 198 12.466 31.690 1.845 416 H1* U 198 H1* U 198 14.013 33.483 2.435 417 H3 U 198 H3 U 198 16.001 31.212 5.761 418 H5 U 198 H5 U 198 13.701 34.048 7.811 419 H6 U 198 H6 U 198 12.786 34.730 5.641 420 1H5* G 199 1H5* G 199 6.698 35.046 -1.057 421 2H5* G 199 2H5* G 199 6.631 35.948 0.457 422 H4* G 199 H4* G 199 4.697 34.684 0.517 423 H3* G 199 H3* G 199 6.845 33.288 2.091 424 H2* G 199 H2* G 199 5.274 31.615 2.730 425 2HO* G 199 2HO* G 199 3.152 32.190 2.636 426 H1* G 199 H1* G 199 4.387 31.217 0.105 427 H8 G 199 H8 G 199 8.095 31.869 0.452 428 H1 G 199 H1 G 199 6.420 25.635 0.922 429 1H2 G 199 1H2 G 199 4.364 25.477 0.986 430 2H2 G 199 2H2 G 199 3.260 26.833 0.922 431 1H5* A 200 1H5* A 200 5.821 36.208 6.144 432 2H5* A 200 2H5* A 200 7.409 36.835 5.701 433 H4* A 200 H4* A 200 7.105 35.720 8.002 434 H3* A 200 H3* A 200 9.391 35.217 6.114 435 H2* A 200 H2* A 200 10.409 33.805 7.729 436 2HO* A 200 2HO* A 200 8.586 33.849 9.711 437 H1* A 200 H1* A 200 8.075 32.365 8.244 438 H8 A 200 H8 A 200 8.320 33.276 4.617 439 1H6 A 200 1H6 A 200 11.594 28.016 3.862 440 2H6 A 200 2H6 A 200 10.809 29.332 3.016 441 H2 A 200 H2 A 200 11.032 28.691 8.218 442 1H5* C 201 1H5* C 201 12.636 37.174 9.276 443 2H5* C 201 2H5* C 201 13.558 35.712 8.928 444 H4* C 201 H4* C 201 10.981 36.031 10.418 445 H3* C 201 H3* C 201 13.643 34.743 10.953 446 H2* C 201 H2* C 201 12.633 33.159 12.362 447 2HO* C 201 2HO* C 201 10.187 34.626 12.085 448 H1* C 201 H1* C 201 10.310 33.028 10.597 449 1H4 C 201 1H4 C 201 12.920 27.225 10.153 450 2H4 C 201 2H4 C 201 14.255 27.895 9.244 451 H5 C 201 H5 C 201 14.545 30.204 8.840 452 H6 C 201 H6 C 201 13.614 32.461 9.212 453 1H5* C 202 1H5* C 202 12.435 36.104 15.080 454 2H5* C 202 2H5* C 202 13.934 36.198 16.005 455 H4* C 202 H4* C 202 12.316 34.458 16.779 456 H3* C 202 H3* C 202 15.113 33.653 15.965 457 H2* C 202 H2* C 202 14.679 31.498 16.813 458 2HO* C 202 2HO* C 202 13.402 31.510 18.573 459 H1* C 202 H1* C 202 11.983 31.553 15.779 460 1H4 C 202 1H4 C 202 15.173 27.351 12.161 461 2H4 C 202 2H4 C 202 15.754 28.681 11.184 462 H5 C 202 H5 C 202 15.377 30.954 11.702 463 H6 C 202 H6 C 202 14.340 32.526 13.299 464 1H5* C 203 1H5* C 203 14.997 33.051 20.383 465 2H5* C 203 2H5* C 203 16.649 32.908 20.983 466 H4* C 203 H4* C 203 15.245 30.842 21.181 467 H3* C 203 H3* C 203 17.871 30.770 19.692 468 H2* C 203 H2* C 203 17.679 28.418 19.576 469 2HO* C 203 2HO* C 203 16.383 27.420 21.104 470 H1* C 203 H1* C 203 14.885 28.576 18.958 471 1H4 C 203 1H4 C 203 17.834 27.071 13.480 472 2H4 C 203 2H4 C 203 18.099 28.777 13.196 473 H5 C 203 H5 C 203 17.584 30.468 14.761 474 H6 C 203 H6 C 203 16.680 30.943 17.011 475 1H5* U 204 1H5* U 204 18.170 28.255 23.358 476 2H5* U 204 2H5* U 204 19.848 28.110 23.877 477 H4* U 204 H4* U 204 18.731 25.941 23.416 478 H3* U 204 H3* U 204 21.228 26.719 21.929 479 H2* U 204 H2* U 204 21.279 24.565 20.916 480 2HO* U 204 2HO* U 204 19.277 23.219 21.731 481 H1* U 204 H1* U 204 18.587 24.675 20.158 482 H3 U 204 H3 U 204 21.354 25.035 16.464 483 H5 U 204 H5 U 204 20.631 28.946 17.776 484 H6 U 204 H6 U 204 19.618 27.978 19.789 485 1H5* A 205 1H5* A 205 23.375 24.308 25.468 486 2H5* A 205 2H5* A 205 25.019 24.911 25.253 487 H4* A 205 H4* A 205 24.518 22.514 24.531 488 H3* A 205 H3* A 205 25.973 24.521 22.825 489 H2* A 205 H2* A 205 26.369 22.835 21.201 490 2HO* A 205 2HO* A 205 25.597 20.622 21.894 491 H1* A 205 H1* A 205 23.717 21.943 21.201 492 H8 A 205 H8 A 205 23.538 25.605 21.515 493 1H6 A 205 1H6 A 205 24.338 25.963 15.335 494 2H6 A 205 2H6 A 205 23.911 26.876 16.764 495 H2 A 205 H2 A 205 25.169 21.787 16.606 496 1H5* G 206 1H5* G 206 28.162 23.311 20.446 497 2H5* G 206 2H5* G 206 29.779 23.465 21.132 498 H4* G 206 H4* G 206 28.067 25.644 19.929 499 H3* G 206 H3* G 206 30.486 24.161 19.010 500 H2* G 206 H2* G 206 31.450 26.130 18.080 501 2HO* G 206 2HO* G 206 29.282 26.871 17.493 502 H1* G 206 H1* G 206 31.111 27.613 20.417 503 H8 G 206 H8 G 206 31.955 24.130 21.389 504 H1 G 206 H1 G 206 37.132 27.609 19.664 505 1H2 G 206 1H2 G 206 36.516 29.376 18.796 506 2H2 G 206 2H2 G 206 34.847 29.844 18.569 507 1H5* U 207 1H5* U 207 27.385 24.720 14.808 508 2H5* U 207 2H5* U 207 28.611 24.865 13.548 509 H4* U 207 H4* U 207 26.702 26.554 13.546 510 H3* U 207 H3* U 207 29.608 27.305 13.341 511 H2* U 207 H2* U 207 28.990 29.575 13.018 512 2HO* U 207 2HO* U 207 26.371 29.611 13.151 513 H1* U 207 H1* U 207 27.197 29.591 15.166 514 H3 U 207 H3 U 207 30.469 32.041 17.030 515 H5 U 207 H5 U 207 32.249 28.274 16.605 516 H6 U 207 H6 U 207 30.218 27.556 15.433 517 1H5* A 208 1H5* A 208 29.574 28.582 8.130 518 2H5* A 208 2H5* A 208 27.977 28.214 7.478 519 H4* A 208 H4* A 208 29.603 27.065 6.167 520 H3* A 208 H3* A 208 27.871 25.359 7.898 521 H2* A 208 H2* A 208 28.971 23.375 7.184 522 2HO* A 208 2HO* A 208 30.449 23.583 5.406 523 H1* A 208 H1* A 208 31.526 24.406 7.667 524 H8 A 208 H8 A 208 28.516 25.071 9.948 525 1H6 A 208 1H6 A 208 31.009 20.725 13.670 526 2H6 A 208 2H6 A 208 29.699 21.875 13.512 527 H2 A 208 H2 A 208 33.511 21.022 10.011 528 1H5* G 209 1H5* G 209 26.586 23.826 4.749 529 2H5* G 209 2H5* G 209 24.893 23.330 4.726 530 H4* G 209 H4* G 209 26.435 21.668 5.745 531 H3* G 209 H3* G 209 24.115 22.775 7.300 532 H2* G 209 H2* G 209 24.611 21.289 9.096 533 2HO* G 209 2HO* G 209 26.487 19.800 8.624 534 H1* G 209 H1* G 209 27.313 21.998 9.154 535 H8 G 209 H8 G 209 25.332 25.048 8.403 536 H1 G 209 H1 G 209 25.387 23.540 14.697 537 1H2 G 209 1H2 G 209 26.184 21.655 14.947 538 2H2 G 209 2H2 G 209 26.752 20.634 13.645 539 1H5* A 210 1H5* A 210 24.293 18.627 8.377 540 2H5* A 210 2H5* A 210 22.690 18.035 7.943 541 H4* A 210 H4* A 210 23.138 17.403 10.198 542 H3* A 210 H3* A 210 21.101 19.603 9.917 543 H2* A 210 H2* A 210 20.688 19.487 12.253 544 2HO* A 210 2HO* A 210 21.627 17.668 13.387 545 H1* A 210 H1* A 210 23.421 19.482 12.909 546 H8 A 210 H8 A 210 22.611 21.810 10.077 547 1H6 A 210 1H6 A 210 21.554 26.164 14.421 548 2H6 A 210 2H6 A 210 21.713 25.887 12.701 549 H2 A 210 H2 A 210 22.121 22.264 16.471 550 1H5* G 211 1H5* G 211 18.917 16.192 12.104 551 2H5* G 211 2H5* G 211 17.261 16.378 11.530 552 H4* G 211 H4* G 211 17.546 16.444 14.015 553 H3* G 211 H3* G 211 16.199 18.676 12.520 554 H2* G 211 H2* G 211 15.667 19.733 14.588 555 2HO* G 211 2HO* G 211 16.331 18.459 16.540 556 H1* G 211 H1* G 211 18.279 19.542 15.553 557 H8 G 211 H8 G 211 18.609 20.238 11.953 558 H1 G 211 H1 G 211 17.030 25.510 15.358 559 1H2 G 211 1H2 G 211 16.469 24.957 17.263 560 2H2 G 211 2H2 G 211 16.431 23.310 17.851 561 1H5* G 212 1H5* G 212 12.671 17.045 15.269 562 2H5* G 212 2H5* G 212 11.331 17.395 14.178 563 H4* G 212 H4* G 212 11.148 18.415 16.455 564 H3* G 212 H3* G 212 11.000 20.084 13.961 565 H2* G 212 H2* G 212 10.510 22.007 15.280 566 2HO* G 212 2HO* G 212 10.096 21.630 17.549 567 H1* G 212 H1* G 212 12.649 21.571 17.018 568 H8 G 212 H8 G 212 13.888 20.578 13.701 569 H1 G 212 H1 G 212 13.666 27.006 14.429 570 1H2 G 212 1H2 G 212 12.586 27.470 16.123 571 2H2 G 212 2H2 G 212 11.851 26.293 17.188 572 1H5* G 213 1H5* G 213 6.299 19.595 14.585 573 2H5* G 213 2H5* G 213 5.812 19.534 12.892 574 H4* G 213 H4* G 213 4.982 21.521 14.148 575 H3* G 213 H3* G 213 6.629 21.840 11.651 576 H2* G 213 H2* G 213 6.274 24.195 11.734 577 2HO* G 213 2HO* G 213 4.831 24.873 13.598 578 H1* G 213 H1* G 213 7.008 24.371 14.429 579 H8 G 213 H8 G 213 9.268 21.887 12.909 580 H1 G 213 H1 G 213 10.930 27.972 11.459 581 1H2 G 213 1H2 G 213 9.405 29.250 11.998 582 2H2 G 213 2H2 G 213 7.899 28.748 12.733 583 1H5* G 214 1H5* G 214 5.146 25.006 10.029 584 2H5* G 214 2H5* G 214 4.745 24.339 8.447 585 H4* G 214 H4* G 214 6.702 25.911 8.506 586 H3* G 214 H3* G 214 6.898 23.147 7.344 587 H2* G 214 H2* G 214 9.131 23.598 6.648 588 2HO* G 214 2HO* G 214 8.878 26.189 7.829 589 H1* G 214 H1* G 214 9.910 24.546 9.150 590 H8 G 214 H8 G 214 7.609 21.795 9.912 591 H1 G 214 H1 G 214 13.388 19.665 7.926 592 1H2 G 214 1H2 G 214 14.460 21.232 7.120 593 2H2 G 214 2H2 G 214 13.879 22.877 7.000 594 1H5* G 215 1H5* G 215 8.572 25.452 3.541 595 2H5* G 215 2H5* G 215 7.090 25.069 2.666 596 H4* G 215 H4* G 215 8.926 24.483 1.275 597 H3* G 215 H3* G 215 7.448 22.145 2.439 598 H2* G 215 H2* G 215 8.827 20.642 1.207 599 2HO* G 215 2HO* G 215 9.435 21.558 -0.664 600 H1* G 215 H1* G 215 11.196 21.814 2.060 601 H8 G 215 H8 G 215 8.913 22.071 4.940 602 H1 G 215 H1 G 215 11.326 16.110 4.211 603 1H2 G 215 1H2 G 215 12.248 15.961 2.372 604 2H2 G 215 2H2 G 215 12.351 17.257 1.202 605 1H5* C 216 1H5* C 216 5.395 22.263 -1.773 606 2H5* C 216 2H5* C 216 3.996 21.218 -1.535 607 H4* C 216 H4* C 216 6.032 20.246 -2.735 608 H3* C 216 H3* C 216 4.605 18.877 -0.465 609 H2* C 216 H2* C 216 5.977 16.963 -0.791 610 2HO* C 216 2HO* C 216 7.239 18.360 -2.944 611 H1* C 216 H1* C 216 8.342 18.470 -0.895 612 1H4 C 216 1H4 C 216 7.764 16.451 5.159 613 2H4 C 216 2H4 C 216 6.943 17.950 5.531 614 H5 C 216 H5 C 216 6.323 19.548 3.907 615 H6 C 216 H6 C 216 6.338 20.107 1.501 616 1H5* U 217 1H5* U 217 3.621 15.898 -3.791 617 2H5* U 217 2H5* U 217 2.253 15.025 -3.099 618 H4* U 217 H4* U 217 4.450 13.759 -3.424 619 H3* U 217 H3* U 217 2.839 13.732 -0.883 620 H2* U 217 H2* U 217 4.332 12.110 0.023 621 2HO* U 217 2HO* U 217 5.642 11.007 -1.419 622 H1* U 217 H1* U 217 6.608 13.581 -0.657 623 H3 U 217 H3 U 217 5.810 13.613 3.920 624 H5 U 217 H5 U 217 3.998 17.049 2.356 625 H6 U 217 H6 U 217 4.402 16.125 0.121 626 1H5* G 218 1H5* G 218 0.400 9.263 -2.002 627 2H5* G 218 2H5* G 218 0.707 8.820 -0.323 628 H4* G 218 H4* G 218 1.612 7.040 -1.469 629 H3* G 218 H3* G 218 3.792 9.008 -0.850 630 H2* G 218 H2* G 218 5.388 7.645 -1.918 631 2HO* G 218 2HO* G 218 3.464 5.639 -2.453 632 H1* G 218 H1* G 218 3.568 7.023 -4.063 633 H8 G 218 H8 G 218 3.682 10.662 -3.652 634 H1 G 218 H1 G 218 8.885 8.399 -6.767 635 1H2 G 218 1H2 G 218 8.960 6.347 -6.579 636 2H2 G 218 2H2 G 218 7.789 5.383 -5.709 637 1H5* C 219 1H5* C 219 2.169 4.305 3.326 638 2H5* C 219 2H5* C 219 0.973 5.382 2.606 639 H4* C 219 H4* C 219 3.366 6.092 4.293 640 H3* C 219 H3* C 219 0.504 5.985 4.782 641 H2* C 219 H2* C 219 0.259 8.253 4.338 642 2HO* C 219 2HO* C 219 0.024 8.426 6.501 643 H1* C 219 H1* C 219 3.183 8.692 5.110 644 1H4 C 219 1H4 C 219 1.352 14.248 2.385 645 2H4 C 219 2H4 C 219 1.967 13.578 0.890 646 H5 C 219 H5 C 219 2.679 11.339 0.646 647 H6 C 219 H6 C 219 2.978 9.171 1.788 648 1H5* G 220 1H5* G 220 5.067 4.568 7.062 649 2H5* G 220 2H5* G 220 4.682 5.982 6.081 650 H4* G 220 H4* G 220 6.196 3.501 5.287 651 H3* G 220 H3* G 220 6.870 6.446 5.395 652 H2* G 220 H2* G 220 8.408 6.126 3.687 653 2HO* G 220 2HO* G 220 8.199 3.314 4.250 654 H1* G 220 H1* G 220 6.783 3.854 2.676 655 H8 G 220 H8 G 220 6.907 4.334 0.224 656 H1 G 220 H1 G 220 6.352 10.725 1.074 657 1H2 G 220 1H2 G 220 6.225 11.144 3.089 658 2H2 G 220 2H2 G 220 6.263 9.942 4.359 659 1H5* G 221 1H5* G 221 10.223 5.325 6.189 660 2H5* G 221 2H5* G 221 11.307 6.540 6.868 661 H4* G 221 H4* G 221 10.608 6.368 4.250 662 H3* G 221 H3* G 221 11.557 8.726 5.876 663 H2* G 221 H2* G 221 11.493 10.049 3.908 664 2HO* G 221 2HO* G 221 10.771 8.574 1.949 665 H1* G 221 H1* G 221 8.957 9.074 3.144 666 H8 G 221 H8 G 221 8.833 9.652 6.777 667 H1 G 221 H1 G 221 8.353 15.141 3.383 668 1H2 G 221 1H2 G 221 8.842 14.777 1.413 669 2H2 G 221 2H2 G 221 9.313 13.218 0.776 670 1H5* C 222 1H5* C 222 15.272 7.895 3.545 671 2H5* C 222 2H5* C 222 16.535 8.928 4.213 672 H4* C 222 H4* C 222 15.142 9.736 2.179 673 H3* C 222 H3* C 222 15.834 11.436 4.579 674 H2* C 222 H2* C 222 14.932 13.299 3.450 675 2HO* C 222 2HO* C 222 14.255 12.462 1.069 676 H1* C 222 H1* C 222 12.746 11.747 2.414 677 1H4 C 222 1H4 C 222 10.309 15.493 7.004 678 2H4 C 222 2H4 C 222 10.702 14.248 8.167 679 H5 C 222 H5 C 222 11.932 12.300 7.647 680 H6 C 222 H6 C 222 13.099 11.055 5.862 681 1H5* U 223 1H5* U 223 16.196 14.295 1.889 682 2H5* U 223 2H5* U 223 17.871 14.830 2.014 683 H4* U 223 H4* U 223 16.451 16.713 2.378 684 H3* U 223 H3* U 223 17.873 15.712 4.830 685 H2* U 223 H2* U 223 16.892 17.371 6.141 686 2HO* U 223 2HO* U 223 16.125 19.276 5.027 687 H1* U 223 H1* U 223 14.448 17.292 4.520 688 H3 U 223 H3 U 223 12.897 17.151 8.804 689 H5 U 223 H5 U 223 14.576 13.366 8.167 690 H6 U 223 H6 U 223 15.447 14.221 6.040 691 1H5* U 224 1H5* U 224 19.678 14.900 1.188 692 2H5* U 224 2H5* U 224 20.808 15.789 0.167 693 H4* U 224 H4* U 224 18.817 15.387 -1.085 694 H3* U 224 H3* U 224 19.125 18.264 -0.221 695 H2* U 224 H2* U 224 17.281 18.817 -1.597 696 2HO* U 224 2HO* U 224 16.669 16.397 -2.640 697 H1* U 224 H1* U 224 15.808 16.526 -0.743 698 H3 U 224 H3 U 224 13.011 19.219 1.443 699 H5 U 224 H5 U 224 16.745 20.760 2.548 700 H6 U 224 H6 U 224 17.764 19.040 1.130 701 1H5* A 225 1H5* A 225 20.802 18.958 -4.566 702 2H5* A 225 2H5* A 225 20.921 20.716 -4.510 703 H4* A 225 H4* A 225 18.840 19.435 -5.572 704 H3* A 225 H3* A 225 18.856 22.078 -4.110 705 H2* A 225 H2* A 225 16.564 22.324 -4.651 706 2HO* A 225 2HO* A 225 15.748 20.532 -6.144 707 H1* A 225 H1* A 225 15.973 19.627 -3.991 708 H8 A 225 H8 A 225 18.199 21.222 -1.457 709 1H6 A 225 1H6 A 225 13.018 23.286 1.346 710 2H6 A 225 2H6 A 225 14.753 23.123 1.513 711 H2 A 225 H2 A 225 11.879 21.566 -2.590 712 1H5* G 226 1H5* G 226 16.923 22.274 -7.930 713 2H5* G 226 2H5* G 226 16.966 23.889 -8.636 714 H4* G 226 H4* G 226 14.679 23.059 -8.331 715 H3* G 226 H3* G 226 15.531 25.524 -6.832 716 H2* G 226 H2* G 226 13.293 25.810 -6.064 717 2HO* G 226 2HO* G 226 11.728 24.858 -7.277 718 H1* G 226 H1* G 226 13.077 23.147 -5.225 719 H8 G 226 H8 G 226 16.507 24.350 -4.467 720 H1 G 226 H1 G 226 12.127 26.249 -0.099 721 1H2 G 226 1H2 G 226 10.232 25.852 -0.807 722 2H2 G 226 2H2 G 226 9.881 25.115 -2.354 723 1H5* G 227 1H5* G 227 14.589 24.553 -11.465 724 2H5* G 227 2H5* G 227 16.197 24.456 -10.747 725 H4* G 227 H4* G 227 16.140 24.236 -13.231 726 H3* G 227 H3* G 227 17.810 26.330 -11.877 727 H2* G 227 H2* G 227 18.706 26.992 -13.983 728 2HO* G 227 2HO* G 227 17.380 25.487 -15.721 729 H1* G 227 H1* G 227 16.201 27.224 -15.179 730 H8 G 227 H8 G 227 16.591 28.209 -11.514 731 H1 G 227 H1 G 227 17.152 33.077 -15.741 732 1H2 G 227 1H2 G 227 17.107 32.330 -17.663 733 2H2 G 227 2H2 G 227 16.942 30.637 -18.068 734 1H5* A 228 1H5* A 228 20.174 24.346 -15.041 735 2H5* A 228 2H5* A 228 21.855 24.390 -14.510 736 H4* A 228 H4* A 228 21.450 25.534 -16.671 737 H3* A 228 H3* A 228 22.580 27.094 -14.352 738 H2* A 228 H2* A 228 22.924 28.939 -15.805 739 2HO* A 228 2HO* A 228 22.540 28.493 -18.121 740 H1* A 228 H1* A 228 20.350 28.701 -16.950 741 H8 A 228 H8 A 228 20.119 28.222 -13.279 742 1H6 A 228 1H6 A 228 19.863 34.436 -12.750 743 2H6 A 228 2H6 A 228 19.673 32.930 -11.881 744 H2 A 228 H2 A 228 20.948 33.441 -16.943 745 1H5* G 229 1H5* G 229 25.731 27.038 -17.702 746 2H5* G 229 2H5* G 229 27.283 27.093 -16.865 747 H4* G 229 H4* G 229 27.039 28.861 -18.560 748 H3* G 229 H3* G 229 27.456 29.613 -15.683 749 H2* G 229 H2* G 229 27.583 31.912 -16.299 750 2HO* G 229 2HO* G 229 27.025 31.449 -18.995 751 H1* G 229 H1* G 229 25.231 31.815 -17.799 752 H8 G 229 H8 G 229 24.605 29.627 -14.912 753 H1 G 229 H1 G 229 24.261 35.903 -13.365 754 1H2 G 229 1H2 G 229 25.026 37.035 -14.909 755 2H2 G 229 2H2 G 229 25.666 36.382 -16.401 756 1H5* G 230 1H5* G 230 30.845 31.643 -17.923 757 2H5* G 230 2H5* G 230 32.228 31.409 -16.854 758 H4* G 230 H4* G 230 31.916 33.760 -17.433 759 H3* G 230 H3* G 230 31.625 32.947 -14.557 760 H2* G 230 H2* G 230 31.353 35.231 -13.934 761 2HO* G 230 2HO* G 230 31.917 36.799 -15.464 762 H1* G 230 H1* G 230 29.393 35.702 -15.862 763 H8 G 230 H8 G 230 28.754 32.284 -14.670 764 H1 G 230 H1 G 230 26.755 36.774 -10.460 765 1H2 G 230 1H2 G 230 27.516 38.612 -11.001 766 2H2 G 230 2H2 G 230 28.544 38.895 -12.388 767 1H5* G 231 1H5* G 231 34.808 36.408 -14.449 768 2H5* G 231 2H5* G 231 35.919 35.648 -13.311 769 H4* G 231 H4* G 231 35.268 37.915 -12.629 770 H3* G 231 H3* G 231 34.588 35.593 -10.850 771 H2* G 231 H2* G 231 33.744 37.096 -9.204 772 2HO* G 231 2HO* G 231 34.419 39.202 -9.338 773 H1* G 231 H1* G 231 32.147 38.473 -11.034 774 H8 G 231 H8 G 231 32.016 34.938 -12.065 775 H1 G 231 H1 G 231 28.288 36.156 -6.918 776 1H2 G 231 1H2 G 231 28.735 38.025 -6.170 777 2H2 G 231 2H2 G 231 29.940 39.102 -6.840 778 1H5* C 232 1H5* C 232 36.521 38.390 -8.580 779 2H5* C 232 2H5* C 232 37.832 37.782 -7.568 780 H4* C 232 H4* C 232 36.370 38.990 -6.154 781 H3* C 232 H3* C 232 36.187 36.013 -5.827 782 H2* C 232 H2* C 232 34.594 36.268 -4.088 783 2HO* C 232 2HO* C 232 34.854 38.108 -2.962 784 H1* C 232 H1* C 232 33.075 38.147 -5.557 785 1H4 C 232 1H4 C 232 30.019 32.604 -6.396 786 2H4 C 232 2H4 C 232 31.182 32.162 -7.627 787 H5 C 232 H5 C 232 33.089 33.448 -8.159 788 H6 C 232 H6 C 232 34.364 35.497 -7.635 789 1H5* A 233 1H5* A 233 36.801 37.819 -1.912 790 2H5* A 233 2H5* A 233 38.191 37.033 -1.163 791 H4* A 233 H4* A 233 36.526 37.082 0.489 792 H3* A 233 H3* A 233 36.851 34.375 -0.752 793 H2* A 233 H2* A 233 35.167 33.473 0.662 794 2HO* A 233 2HO* A 233 34.428 34.832 2.402 795 H1* A 233 H1* A 233 33.347 35.525 0.117 796 H8 A 233 H8 A 233 35.225 34.703 -2.991 797 1H6 A 233 1H6 A 233 31.057 30.159 -3.961 798 2H6 A 233 2H6 A 233 32.380 31.046 -4.683 799 H2 A 233 H2 A 233 30.434 31.767 0.135 800 1H5* G 234 1H5* G 234 36.674 34.017 3.371 801 2H5* G 234 2H5* G 234 38.059 33.173 4.059 802 H4* G 234 H4* G 234 36.195 32.184 5.061 803 H3* G 234 H3* G 234 37.283 30.477 2.842 804 H2* G 234 H2* G 234 35.677 28.791 3.347 805 2HO* G 234 2HO* G 234 34.258 29.377 5.264 806 H1* G 234 H1* G 234 33.538 30.583 3.340 807 H8 G 234 H8 G 234 36.005 31.546 0.707 808 H1 G 234 H1 G 234 31.941 26.865 -1.152 809 1H2 G 234 1H2 G 234 30.876 26.190 0.480 810 2H2 G 234 2H2 G 234 31.057 26.801 2.109 811 1H GLY 15 1H GLY 15 6.631 -2.084 -3.759 812 1HA GLY 15 1HA GLY 15 5.122 -1.265 -1.440 813 2HA GLY 15 2HA GLY 15 6.700 -2.038 -1.442 814 H ARG 16 H ARG 16 8.557 -0.788 -1.457 815 HA ARG 16 HA ARG 16 8.339 1.773 -0.268 816 1HB ARG 16 2HB ARG 16 10.560 0.039 -1.223 817 2HB ARG 16 3HB ARG 16 10.907 1.750 -1.008 818 1HG ARG 16 2HG ARG 16 10.725 1.648 1.251 819 2HG ARG 16 3HG ARG 16 9.516 0.364 1.206 820 1HD ARG 16 2HD ARG 16 11.081 -1.293 1.104 821 2HD ARG 16 3HD ARG 16 12.253 -0.282 0.258 822 HE ARG 16 HE ARG 16 11.857 0.643 2.906 823 1HH1 ARG 16 2HH1 ARG 16 13.394 -1.888 1.077 824 2HH1 ARG 16 1HH1 ARG 16 14.638 -2.162 2.253 825 1HH2 ARG 16 2HH2 ARG 16 13.488 0.292 4.462 826 2HH2 ARG 16 1HH2 ARG 16 14.690 -0.921 4.177 827 H ALA 17 H ALA 17 9.852 0.898 -3.382 828 HA ALA 17 HA ALA 17 9.909 1.971 -5.393 829 1HB ALA 17 1HB ALA 17 8.120 3.303 -6.069 830 2HB ALA 17 2HB ALA 17 7.413 2.230 -4.861 831 3HB ALA 17 3HB ALA 17 7.819 3.892 -4.434 832 H ARG 18 H ARG 18 10.987 3.119 -2.619 833 HA ARG 18 HA ARG 18 11.440 5.867 -3.055 834 1HB ARG 18 2HB ARG 18 11.704 4.517 -0.887 835 2HB ARG 18 3HB ARG 18 13.289 4.070 -1.503 836 1HG ARG 18 2HG ARG 18 12.622 6.952 -1.471 837 2HG ARG 18 3HG ARG 18 12.898 6.165 0.084 838 1HD ARG 18 2HD ARG 18 14.998 5.196 -1.235 839 2HD ARG 18 3HD ARG 18 14.777 6.686 -2.151 840 HE ARG 18 HE ARG 18 14.713 7.362 0.541 841 1HH1 ARG 18 2HH1 ARG 18 16.967 6.016 -1.745 842 2HH1 ARG 18 1HH1 ARG 18 18.364 6.651 -0.939 843 1HH2 ARG 18 2HH2 ARG 18 16.544 8.203 1.611 844 2HH2 ARG 18 1HH2 ARG 18 18.121 7.894 0.969 845 H GLY 19 H GLY 19 12.112 6.099 -5.219 846 1HA GLY 19 1HA GLY 19 14.716 6.529 -5.771 847 2HA GLY 19 2HA GLY 19 14.550 4.812 -6.106 848 H LEU 20 H LEU 20 11.647 5.502 -6.898 849 HA LEU 20 HA LEU 20 12.320 6.391 -9.624 850 1HB LEU 20 2HB LEU 20 10.520 4.295 -8.563 851 2HB LEU 20 3HB LEU 20 9.955 5.188 -9.974 852 HG LEU 20 HG LEU 20 12.697 4.101 -10.138 853 1HD1 LEU 20 1HD1 LEU 20 10.532 2.155 -10.689 854 2HD1 LEU 20 2HD1 LEU 20 11.009 2.389 -9.007 855 3HD1 LEU 20 3HD1 LEU 20 12.205 1.886 -10.201 856 1HD2 LEU 20 1HD2 LEU 20 10.730 5.127 -11.862 857 2HD2 LEU 20 2HD2 LEU 20 10.905 3.420 -12.268 858 3HD2 LEU 20 3HD2 LEU 20 12.314 4.481 -12.290 859 H CYS 21 H CYS 21 11.712 8.496 -9.998 860 HA CYS 21 HA CYS 21 9.983 9.889 -8.384 861 1HB CYS 21 2HB CYS 21 11.547 11.000 -9.875 862 2HB CYS 21 3HB CYS 21 10.722 10.370 -11.287 863 H TYR 22 H TYR 22 7.803 10.249 -8.451 864 HA TYR 22 HA TYR 22 6.219 8.496 -10.200 865 1HB TYR 22 2HB TYR 22 6.009 8.196 -7.721 866 2HB TYR 22 3HB TYR 22 5.352 9.825 -7.625 867 HD1 TYR 22 HD1 TYR 22 4.663 7.271 -10.232 868 HD2 TYR 22 HD2 TYR 22 3.160 9.423 -6.884 869 HE1 TYR 22 HE1 TYR 22 2.413 6.383 -10.678 870 HE2 TYR 22 HE2 TYR 22 0.906 8.541 -7.320 871 HH TYR 22 HH TYR 22 -0.085 6.515 -8.474 872 H THR 23 H THR 23 7.204 10.907 -11.244 873 HA THR 23 HA THR 23 4.676 12.292 -11.769 874 HB THR 23 HB THR 23 7.265 13.682 -11.062 875 HG1 THR 23 HG1 THR 23 4.751 13.379 -9.813 876 1HG2 THR 23 1HG2 THR 23 4.710 14.728 -12.261 877 2HG2 THR 23 2HG2 THR 23 6.363 14.945 -12.839 878 3HG2 THR 23 3HG2 THR 23 5.828 15.763 -11.373 879 H CYS 24 H CYS 24 8.175 12.011 -12.722 880 HA CYS 24 HA CYS 24 7.260 12.454 -15.468 881 1HB CYS 24 2HB CYS 24 9.552 13.141 -15.988 882 2HB CYS 24 3HB CYS 24 8.870 14.132 -14.715 883 H GLY 25 H GLY 25 9.109 10.473 -13.227 884 1HA GLY 25 1HA GLY 25 9.096 8.069 -13.447 885 2HA GLY 25 2HA GLY 25 9.084 8.276 -15.193 886 H SER 26 H SER 26 11.160 10.126 -13.066 887 HA SER 26 HA SER 26 13.480 8.909 -14.379 888 1HB SER 26 2HB SER 26 13.039 11.466 -14.254 889 2HB SER 26 3HB SER 26 13.600 11.322 -12.588 890 HG SER 26 HG SER 26 15.437 10.111 -13.751 891 HA PRO 27 HA PRO 27 14.159 6.602 -10.620 892 1HB PRO 27 2HB PRO 27 16.399 5.339 -11.489 893 2HB PRO 27 3HB PRO 27 14.772 4.857 -11.983 894 1HG PRO 27 2HG PRO 27 16.777 6.530 -13.445 895 2HG PRO 27 3HG PRO 27 15.730 5.240 -14.066 896 1HD PRO 27 2HD PRO 27 15.154 7.866 -14.390 897 2HD PRO 27 3HD PRO 27 13.894 6.627 -14.212 898 H GLY 28 H GLY 28 14.687 8.403 -9.293 899 1HA GLY 28 1HA GLY 28 17.205 8.455 -8.189 900 2HA GLY 28 2HA GLY 28 17.240 9.687 -9.442 901 H HIS 29 H HIS 29 15.349 11.260 -9.352 902 HA HIS 29 HA HIS 29 15.175 12.243 -6.621 903 1HB HIS 29 2HB HIS 29 14.387 14.307 -7.588 904 2HB HIS 29 3HB HIS 29 15.779 13.755 -8.516 905 HD1 HIS 29 HD1 HIS 29 15.466 13.623 -10.976 906 HD2 HIS 29 HD2 HIS 29 11.844 13.689 -8.942 907 HE1 HIS 29 HE1 HIS 29 13.697 13.764 -12.757 908 H TYR 30 H TYR 30 12.999 13.331 -6.052 909 HA TYR 30 HA TYR 30 10.855 11.397 -6.634 910 1HB TYR 30 2HB TYR 30 11.891 12.418 -4.154 911 2HB TYR 30 3HB TYR 30 10.195 12.863 -4.313 912 HD1 TYR 30 HD1 TYR 30 12.367 9.866 -4.876 913 HD2 TYR 30 HD2 TYR 30 8.654 11.383 -3.455 914 HE1 TYR 30 HE1 TYR 30 11.715 7.600 -4.178 915 HE2 TYR 30 HE2 TYR 30 7.992 9.121 -2.752 916 HH TYR 30 HH TYR 30 9.259 6.954 -2.089 917 H GLN 31 H GLN 31 8.612 12.421 -6.167 918 HA GLN 31 HA GLN 31 8.031 14.281 -8.110 919 1HB GLN 31 2HB GLN 31 6.272 12.967 -7.162 920 2HB GLN 31 3HB GLN 31 6.560 13.626 -5.558 921 1HG GLN 31 2HG GLN 31 5.673 15.731 -6.158 922 2HG GLN 31 3HG GLN 31 5.667 15.316 -7.872 923 1HE2 GLN 31 1HE2 GLN 31 3.704 14.998 -8.604 924 2HE2 GLN 31 2HE2 GLN 31 2.400 14.253 -7.751 925 H ALA 32 H ALA 32 8.737 14.842 -4.690 926 HA ALA 32 HA ALA 32 8.192 17.591 -4.624 927 1HB ALA 32 1HB ALA 32 9.229 17.627 -2.544 928 2HB ALA 32 2HB ALA 32 8.675 15.958 -2.691 929 3HB ALA 32 3HB ALA 32 10.369 16.354 -2.981 930 H GLN 33 H GLN 33 10.948 15.806 -5.797 931 HA GLN 33 HA GLN 33 12.360 18.334 -6.319 932 1HB GLN 33 2HB GLN 33 13.311 15.535 -5.841 933 2HB GLN 33 3HB GLN 33 14.309 16.645 -6.772 934 1HG GLN 33 2HG GLN 33 15.131 17.399 -4.865 935 2HG GLN 33 3HG GLN 33 13.544 18.075 -4.505 936 1HE2 GLN 33 1HE2 GLN 33 12.449 17.300 -2.821 937 2HE2 GLN 33 2HE2 GLN 33 12.896 15.913 -1.894 938 H CYS 34 H CYS 34 10.114 16.821 -7.914 939 HA CYS 34 HA CYS 34 11.457 15.978 -10.267 940 1HB CYS 34 2HB CYS 34 9.219 15.125 -9.515 941 2HB CYS 34 3HB CYS 34 8.526 16.682 -9.917 942 HA PRO 35 HA PRO 35 12.153 20.123 -11.772 943 1HB PRO 35 2HB PRO 35 13.067 19.385 -14.220 944 2HB PRO 35 3HB PRO 35 14.043 19.256 -12.750 945 1HG PRO 35 2HG PRO 35 12.488 17.138 -14.186 946 2HG PRO 35 3HG PRO 35 14.112 17.049 -13.479 947 1HD PRO 35 2HD PRO 35 11.925 16.055 -12.231 948 2HD PRO 35 3HD PRO 35 13.303 16.737 -11.344 949 H LYS 36 H LYS 36 9.926 17.829 -12.984 950 HA LYS 36 HA LYS 36 8.850 19.697 -14.968 951 1HB LYS 36 2HB LYS 36 9.223 17.060 -15.206 952 2HB LYS 36 3HB LYS 36 7.608 17.032 -14.513 953 1HG LYS 36 2HG LYS 36 6.653 18.028 -16.348 954 2HG LYS 36 3HG LYS 36 8.158 18.809 -16.841 955 1HD LYS 36 2HD LYS 36 9.060 16.680 -17.567 956 2HD LYS 36 3HD LYS 36 7.621 15.841 -16.983 957 1HE LYS 36 2HE LYS 36 7.013 18.025 -18.815 958 2HE LYS 36 3HE LYS 36 8.026 16.778 -19.540 959 1HZ LYS 36 1HZ LYS 36 6.321 15.164 -18.576 960 2HZ LYS 36 2HZ LYS 36 5.866 16.064 -19.934 961 3HZ LYS 36 3HZ LYS 36 5.315 16.512 -18.398 962 H LYS 37 H LYS 37 8.540 19.197 -11.767 963 HA LYS 37 HA LYS 37 5.647 19.391 -11.600 964 1HB LYS 37 2HB LYS 37 7.716 18.514 -9.873 965 2HB LYS 37 3HB LYS 37 6.941 19.885 -9.091 966 1HG LYS 37 2HG LYS 37 5.327 17.631 -10.224 967 2HG LYS 37 3HG LYS 37 6.039 17.536 -8.612 968 1HD LYS 37 2HD LYS 37 4.900 19.766 -8.152 969 2HD LYS 37 3HD LYS 37 3.991 19.486 -9.638 970 1HE LYS 37 2HE LYS 37 2.989 17.527 -8.761 971 2HE LYS 37 3HE LYS 37 4.101 17.484 -7.394 972 1HZ LYS 37 1HZ LYS 37 1.653 18.958 -7.718 973 2HZ LYS 37 2HZ LYS 37 2.930 19.906 -7.142 974 3HZ LYS 37 3HZ LYS 37 2.466 18.510 -6.304 975 H ARG 38 H ARG 38 4.711 21.291 -11.946 976 HA ARG 38 HA ARG 38 5.534 23.616 -10.470 977 1HB ARG 38 2HB ARG 38 5.901 25.069 -12.392 978 2HB ARG 38 3HB ARG 38 7.053 23.741 -12.398 979 1HG ARG 38 2HG ARG 38 5.575 22.570 -14.036 980 2HG ARG 38 3HG ARG 38 4.611 24.045 -14.123 981 1HD ARG 38 2HD ARG 38 6.002 24.532 -15.829 982 2HD ARG 38 3HD ARG 38 7.066 25.066 -14.529 983 HE ARG 38 HE ARG 38 7.646 22.417 -14.843 984 1HH1 ARG 38 2HH1 ARG 38 7.594 25.193 -16.944 985 2HH1 ARG 38 1HH1 ARG 38 8.855 24.601 -17.974 986 1HH2 ARG 38 2HH2 ARG 38 9.308 21.626 -16.191 987 2HH2 ARG 38 1HH2 ARG 38 9.828 22.571 -17.544 988 H LYS 39 H LYS 39 3.201 22.063 -10.476 989 HA LYS 39 HA LYS 39 0.932 22.210 -10.582 990 1HB LYS 39 2HB LYS 39 1.898 24.649 -9.707 991 2HB LYS 39 3HB LYS 39 0.796 25.099 -11.002 992 1HG LYS 39 2HG LYS 39 -1.044 24.384 -9.878 993 2HG LYS 39 3HG LYS 39 -0.164 23.125 -9.011 994 1HD LYS 39 2HD LYS 39 0.492 25.968 -8.424 995 2HD LYS 39 3HD LYS 39 -1.017 25.308 -7.788 996 1HE LYS 39 2HE LYS 39 1.021 23.401 -7.313 997 2HE LYS 39 3HE LYS 39 1.640 24.973 -6.809 998 1HZ LYS 39 1HZ LYS 39 -0.912 23.739 -5.920 999 2HZ LYS 39 2HZ LYS 39 -0.355 25.268 -5.458 1000 3HZ LYS 39 3HZ LYS 39 0.500 23.883 -4.997 1001 H SER 40 H SER 40 -0.862 23.757 -11.897 1002 HA SER 40 HA SER 40 -0.280 23.099 -14.691 1003 1HB SER 40 2HB SER 40 -2.695 23.201 -15.041 1004 2HB SER 40 3HB SER 40 -2.329 22.148 -13.674 1005 HG SER 40 HG SER 40 -3.866 24.326 -13.728 1006 H GLY 41 H GLY 41 -1.300 25.768 -12.623 1007 1HA GLY 41 1HA GLY 41 -1.045 28.041 -12.950 1008 2HA GLY 41 2HA GLY 41 -0.235 27.689 -14.468 1009 H ASN 42 H ASN 42 -2.149 29.775 -13.976 1010 HA ASN 42 HA ASN 42 -4.044 29.096 -16.083 1011 1HB ASN 42 2HB ASN 42 -5.044 28.705 -13.713 1012 2HB ASN 42 3HB ASN 42 -5.100 30.463 -13.626 1013 1HD2 ASN 42 1HD2 ASN 42 -6.985 31.270 -14.147 1014 2HD2 ASN 42 2HD2 ASN 42 -8.092 30.622 -15.304 1015 H SER 43 H SER 43 -1.999 30.617 -16.644 1016 HA SER 43 HA SER 43 -1.354 32.631 -17.482 1017 1HB SER 43 2HB SER 43 -4.178 33.612 -17.103 1018 2HB SER 43 3HB SER 43 -3.013 34.075 -18.343 1019 HG SER 43 HG SER 43 -3.362 32.201 -19.392 1020 H ARG 44 H ARG 44 -0.417 32.539 -15.139 1021 HA ARG 44 HA ARG 44 -1.280 34.977 -13.727 1022 1HB ARG 44 2HB ARG 44 -1.163 32.399 -12.715 1023 2HB ARG 44 3HB ARG 44 0.330 33.132 -12.145 1024 1HG ARG 44 2HG ARG 44 -0.843 34.849 -11.007 1025 2HG ARG 44 3HG ARG 44 -2.366 34.408 -11.781 1026 1HD ARG 44 2HD ARG 44 -0.807 32.698 -9.846 1027 2HD ARG 44 3HD ARG 44 -2.261 33.618 -9.465 1028 HE ARG 44 HE ARG 44 -2.740 31.856 -11.626 1029 1HH1 ARG 44 2HH1 ARG 44 -2.302 31.909 -8.173 1030 2HH1 ARG 44 1HH1 ARG 44 -3.249 30.484 -7.899 1031 1HH2 ARG 44 2HH2 ARG 44 -3.990 29.979 -11.279 1032 2HH2 ARG 44 1HH2 ARG 44 -4.208 29.387 -9.668 1033 H GLU 45 H GLU 45 0.774 35.462 -12.086 1034 HA GLU 45 HA GLU 45 3.041 35.866 -13.925 1035 1HB GLU 45 2HB GLU 45 1.787 37.593 -11.846 1036 2HB GLU 45 3HB GLU 45 3.523 37.729 -12.088 1037 1HG GLU 45 2HG GLU 45 2.982 38.034 -14.560 1038 2HG GLU 45 3HG GLU 45 1.318 38.284 -14.038 1039 H ARG 46 H ARG 46 4.675 34.545 -13.498 1040 HA ARG 46 HA ARG 46 5.126 33.671 -10.733 1041 1HB ARG 46 2HB ARG 46 4.908 32.096 -12.834 1042 2HB ARG 46 3HB ARG 46 6.599 32.520 -13.067 1043 1HG ARG 46 2HG ARG 46 7.262 31.486 -11.098 1044 2HG ARG 46 3HG ARG 46 5.630 31.506 -10.424 1045 1HD ARG 46 2HD ARG 46 5.913 29.284 -11.027 1046 2HD ARG 46 3HD ARG 46 5.044 29.957 -12.405 1047 HE ARG 46 HE ARG 46 7.870 30.069 -12.766 1048 1HH1 ARG 46 2HH1 ARG 46 5.103 27.963 -12.940 1049 2HH1 ARG 46 1HH1 ARG 46 5.816 26.908 -14.115 1050 1HH2 ARG 46 2HH2 ARG 46 8.820 28.687 -14.313 1051 2HH2 ARG 46 1HH2 ARG 46 7.931 27.321 -14.894 1052 H CYS 47 H CYS 47 7.618 33.227 -10.231 1053 HA CYS 47 HA CYS 47 9.081 35.553 -11.249 1054 1HB CYS 47 2HB CYS 47 8.338 35.934 -8.924 1055 2HB CYS 47 3HB CYS 47 9.143 34.462 -8.415 1056 H GLN 48 H GLN 48 10.767 34.865 -12.377 1057 HA GLN 48 HA GLN 48 11.799 32.157 -12.009 1058 1HB GLN 48 2HB GLN 48 11.299 33.696 -14.266 1059 2HB GLN 48 3HB GLN 48 13.051 33.728 -14.116 1060 1HG GLN 48 2HG GLN 48 12.838 31.169 -13.842 1061 2HG GLN 48 3HG GLN 48 11.236 31.394 -14.542 1062 1HE2 GLN 48 1HE2 GLN 48 11.260 30.874 -16.600 1063 2HE2 GLN 48 2HE2 GLN 48 12.500 31.262 -17.738 1064 H LEU 49 H LEU 49 12.366 34.312 -10.096 1065 HA LEU 49 HA LEU 49 15.301 34.307 -10.323 1066 1HB LEU 49 2HB LEU 49 13.547 36.535 -10.186 1067 2HB LEU 49 3HB LEU 49 14.449 36.460 -8.674 1068 HG LEU 49 HG LEU 49 16.066 36.189 -11.122 1069 1HD1 LEU 49 1HD1 LEU 49 14.231 38.437 -10.727 1070 2HD1 LEU 49 2HD1 LEU 49 15.087 37.906 -12.174 1071 3HD1 LEU 49 3HD1 LEU 49 15.914 38.900 -10.975 1072 1HD2 LEU 49 1HD2 LEU 49 16.259 37.673 -8.512 1073 2HD2 LEU 49 2HD2 LEU 49 17.436 37.863 -9.812 1074 3HD2 LEU 49 3HD2 LEU 49 17.205 36.286 -9.054 1075 H CYS 50 H CYS 50 12.427 34.174 -8.171 1076 HA CYS 50 HA CYS 50 14.207 32.976 -6.182 1077 1HB CYS 50 2HB CYS 50 13.221 34.133 -4.393 1078 2HB CYS 50 3HB CYS 50 13.492 35.364 -5.608 1079 H ASN 51 H ASN 51 12.194 32.250 -8.410 1080 HA ASN 51 HA ASN 51 10.643 30.642 -8.833 1081 1HB ASN 51 2HB ASN 51 12.355 29.552 -7.004 1082 2HB ASN 51 3HB ASN 51 10.807 29.361 -6.186 1083 1HD2 ASN 51 1HD2 ASN 51 12.071 29.036 -9.489 1084 2HD2 ASN 51 2HD2 ASN 51 11.336 27.503 -9.799 1085 H GLY 52 H GLY 52 9.988 33.140 -7.221 1086 1HA GLY 52 1HA GLY 52 7.900 32.526 -5.416 1087 2HA GLY 52 2HA GLY 52 8.155 34.076 -6.204 1088 H MET 53 H MET 53 5.620 32.962 -5.680 1089 HA MET 53 HA MET 53 4.667 32.530 -8.433 1090 1HB MET 53 2HB MET 53 3.921 31.103 -5.907 1091 2HB MET 53 3HB MET 53 2.738 31.264 -7.197 1092 1HG MET 53 2HG MET 53 3.859 29.864 -8.598 1093 2HG MET 53 3HG MET 53 5.431 30.248 -7.902 1094 1HE MET 53 1HE MET 53 1.986 28.222 -6.336 1095 2HE MET 53 2HE MET 53 2.382 28.349 -8.050 1096 3HE MET 53 3HE MET 53 2.711 26.851 -7.177 1097 H GLY 54 H GLY 54 4.008 34.600 -8.841 1098 1HA GLY 54 1HA GLY 54 1.579 35.554 -8.436 1099 2HA GLY 54 2HA GLY 54 2.311 35.962 -6.890 1100 H HIS 55 H HIS 55 4.696 36.931 -7.375 1101 HA HIS 55 HA HIS 55 4.138 39.367 -8.852 1102 1HB HIS 55 2HB HIS 55 6.277 40.159 -7.877 1103 2HB HIS 55 3HB HIS 55 5.144 39.591 -6.653 1104 HD1 HIS 55 HD1 HIS 55 5.649 37.087 -5.743 1105 HD2 HIS 55 HD2 HIS 55 8.734 38.997 -7.768 1106 HE1 HIS 55 HE1 HIS 55 7.738 35.827 -5.130 1107 H ASN 56 H ASN 56 6.468 40.225 -9.818 1108 HA ASN 56 HA ASN 56 7.235 38.177 -11.794 1109 1HB ASN 56 2HB ASN 56 7.606 40.038 -13.385 1110 2HB ASN 56 3HB ASN 56 5.933 39.945 -12.844 1111 1HD2 ASN 56 1HD2 ASN 56 5.277 41.416 -11.135 1112 2HD2 ASN 56 2HD2 ASN 56 6.016 42.975 -11.042 1113 H ALA 57 H ALA 57 9.396 38.081 -12.453 1114 HA ALA 57 HA ALA 57 11.341 38.433 -10.517 1115 1HB ALA 57 1HB ALA 57 12.784 38.526 -12.848 1116 2HB ALA 57 2HB ALA 57 12.250 37.059 -12.026 1117 3HB ALA 57 3HB ALA 57 11.290 37.730 -13.346 1118 H LYS 58 H LYS 58 10.567 40.540 -13.272 1119 HA LYS 58 HA LYS 58 12.571 42.426 -12.976 1120 1HB LYS 58 2HB LYS 58 10.537 42.157 -14.689 1121 2HB LYS 58 3HB LYS 58 9.847 43.408 -13.663 1122 1HG LYS 58 2HG LYS 58 12.607 43.727 -14.758 1123 2HG LYS 58 3HG LYS 58 11.201 44.071 -15.769 1124 1HD LYS 58 2HD LYS 58 10.918 46.043 -14.778 1125 2HD LYS 58 3HD LYS 58 10.864 45.279 -13.188 1126 1HE LYS 58 2HE LYS 58 13.041 45.733 -12.750 1127 2HE LYS 58 3HE LYS 58 13.531 45.539 -14.431 1128 1HZ LYS 58 1HZ LYS 58 11.990 47.756 -14.506 1129 2HZ LYS 58 2HZ LYS 58 13.679 47.750 -14.423 1130 3HZ LYS 58 3HZ LYS 58 12.763 47.918 -13.010 1131 H GLN 59 H GLN 59 9.723 41.909 -11.059 1132 HA GLN 59 HA GLN 59 10.129 44.431 -9.628 1133 1HB GLN 59 2HB GLN 59 7.829 43.620 -10.417 1134 2HB GLN 59 3HB GLN 59 7.931 42.436 -9.119 1135 1HG GLN 59 2HG GLN 59 8.419 44.525 -7.638 1136 2HG GLN 59 3HG GLN 59 7.652 45.397 -8.965 1137 1HE2 GLN 59 1HE2 GLN 59 7.047 44.215 -6.051 1138 2HE2 GLN 59 2HE2 GLN 59 5.381 43.787 -6.208 1139 H CYS 60 H CYS 60 10.835 41.027 -9.379 1140 HA CYS 60 HA CYS 60 10.768 40.820 -6.586 1141 1HB CYS 60 2HB CYS 60 10.848 38.925 -8.284 1142 2HB CYS 60 3HB CYS 60 12.563 39.243 -8.449 1143 H ARG 61 H ARG 61 11.909 42.170 -5.353 1144 HA ARG 61 HA ARG 61 14.489 43.207 -6.222 1145 1HB ARG 61 2HB ARG 61 14.305 44.775 -4.428 1146 2HB ARG 61 3HB ARG 61 12.734 44.690 -5.214 1147 1HG ARG 61 2HG ARG 61 12.050 43.068 -3.413 1148 2HG ARG 61 3HG ARG 61 13.550 43.488 -2.585 1149 1HD ARG 61 2HD ARG 61 12.519 45.947 -3.164 1150 2HD ARG 61 3HD ARG 61 11.059 45.005 -2.868 1151 HE ARG 61 HE ARG 61 11.582 45.007 -0.649 1152 1HH1 ARG 61 2HH1 ARG 61 14.475 45.667 -2.471 1153 2HH1 ARG 61 1HH1 ARG 61 15.447 45.962 -1.067 1154 1HH2 ARG 61 2HH2 ARG 61 12.852 45.392 1.206 1155 2HH2 ARG 61 1HH2 ARG 61 14.523 45.806 1.023 1156 H LYS 62 H LYS 62 15.865 43.585 -3.937 1157 HA LYS 62 HA LYS 62 16.005 41.336 -2.224 1158 1HB LYS 62 2HB LYS 62 16.952 40.624 -4.609 1159 2HB LYS 62 3HB LYS 62 18.404 41.399 -3.989 1160 1HG LYS 62 2HG LYS 62 18.799 39.294 -3.264 1161 2HG LYS 62 3HG LYS 62 17.857 39.872 -1.888 1162 1HD LYS 62 2HD LYS 62 15.926 38.979 -3.636 1163 2HD LYS 62 3HD LYS 62 17.232 37.810 -3.852 1164 1HE LYS 62 2HE LYS 62 16.598 38.537 -1.065 1165 2HE LYS 62 3HE LYS 62 15.352 37.634 -1.925 1166 1HZ LYS 62 1HZ LYS 62 18.039 36.608 -2.232 1167 2HZ LYS 62 2HZ LYS 62 16.591 35.783 -1.944 1168 3HZ LYS 62 3HZ LYS 62 17.420 36.508 -0.661 1169 H ARG 63 H ARG 63 17.648 41.534 -0.631 1170 HA ARG 63 HA ARG 63 19.588 43.617 -0.704 1171 1HB ARG 63 2HB ARG 63 17.029 44.464 -0.016 1172 2HB ARG 63 3HB ARG 63 17.843 44.265 1.530 1173 1HG ARG 63 2HG ARG 63 19.721 45.592 0.044 1174 2HG ARG 63 3HG ARG 63 18.206 46.289 -0.534 1175 1HD ARG 63 2HD ARG 63 18.285 47.611 1.260 1176 2HD ARG 63 3HD ARG 63 17.867 46.182 2.202 1177 HE ARG 63 HE ARG 63 19.974 46.207 3.072 1178 1HH1 ARG 63 2HH1 ARG 63 19.965 48.054 0.121 1179 2HH1 ARG 63 1HH1 ARG 63 21.601 48.597 0.303 1180 1HH2 ARG 63 2HH2 ARG 63 22.128 46.916 3.323 1181 2HH2 ARG 63 1HH2 ARG 63 22.830 47.949 2.124 1182 H ASP 64 H ASP 64 17.629 41.458 1.288 1183 HA ASP 64 HA ASP 64 19.830 40.104 2.369 1184 1HB ASP 64 2HB ASP 64 19.584 42.552 3.574 1185 2HB ASP 64 3HB ASP 64 18.649 41.524 4.655 Start of MODEL 9 1 1H5* C 160 1H5* C 160 3.347 22.562 -18.306 2 2H5* C 160 2H5* C 160 4.740 22.096 -17.329 3 H4* C 160 H4* C 160 3.855 20.098 -18.204 4 H3* C 160 H3* C 160 6.363 20.976 -19.602 5 H2* C 160 H2* C 160 6.320 19.011 -20.944 6 2HO* C 160 2HO* C 160 4.595 17.443 -20.374 7 H1* C 160 H1* C 160 3.601 19.347 -21.599 8 1H4 C 160 1H4 C 160 6.945 21.816 -26.475 9 2H4 C 160 2H4 C 160 6.877 23.370 -25.674 10 H5 C 160 H5 C 160 6.007 23.696 -23.504 11 H6 C 160 H6 C 160 4.977 22.600 -21.545 12 1H5* U 161 1H5* U 161 7.539 16.847 -18.108 13 2H5* U 161 2H5* U 161 9.239 17.058 -17.689 14 H4* U 161 H4* U 161 8.849 15.291 -19.371 15 H3* U 161 H3* U 161 10.587 17.648 -20.061 16 H2* U 161 H2* U 161 11.127 16.631 -22.138 17 2HO* U 161 2HO* U 161 9.482 14.402 -21.552 18 H1* U 161 H1* U 161 8.440 15.982 -22.696 19 H3 U 161 H3 U 161 9.815 19.161 -25.715 20 H5 U 161 H5 U 161 8.578 21.296 -22.331 21 H6 U 161 H6 U 161 8.428 19.150 -21.154 22 1H5* G 162 1H5* G 162 12.854 13.961 -20.633 23 2H5* G 162 2H5* G 162 14.471 14.156 -19.958 24 H4* G 162 H4* G 162 14.679 13.306 -22.177 25 H3* G 162 H3* G 162 15.532 16.164 -21.829 26 H2* G 162 H2* G 162 16.255 16.230 -24.099 27 2HO* G 162 2HO* G 162 16.846 14.289 -24.880 28 H1* G 162 H1* G 162 13.856 15.195 -25.074 29 H8 G 162 H8 G 162 12.981 17.394 -22.232 30 H1 G 162 H1 G 162 14.281 20.693 -27.647 31 1H2 G 162 1H2 G 162 15.129 19.427 -29.037 32 2H2 G 162 2H2 G 162 15.441 17.726 -28.774 33 1H5* C 163 1H5* C 163 18.707 14.159 -23.573 34 2H5* C 163 2H5* C 163 20.301 14.579 -22.944 35 H4* C 163 H4* C 163 20.250 14.976 -25.311 36 H3* C 163 H3* C 163 20.376 17.444 -23.593 37 H2* C 163 H2* C 163 20.628 18.772 -25.545 38 2HO* C 163 2HO* C 163 20.511 16.393 -27.116 39 H1* C 163 H1* C 163 18.521 17.437 -26.883 40 1H4 C 163 1H4 C 163 15.883 22.810 -24.654 41 2H4 C 163 2H4 C 163 15.713 22.059 -23.083 42 H5 C 163 H5 C 163 16.563 19.921 -22.546 43 H6 C 163 H6 C 163 17.797 17.958 -23.394 44 1H5* C 164 1H5* C 164 23.834 17.616 -26.213 45 2H5* C 164 2H5* C 164 25.240 18.098 -25.264 46 H4* C 164 H4* C 164 25.067 19.568 -27.130 47 H3* C 164 H3* C 164 24.383 20.799 -24.482 48 H2* C 164 H2* C 164 24.056 22.911 -25.517 49 2HO* C 164 2HO* C 164 24.514 22.058 -28.113 50 H1* C 164 H1* C 164 22.481 21.797 -27.590 51 1H4 C 164 1H4 C 164 18.240 24.190 -23.461 52 2H4 C 164 2H4 C 164 18.439 22.776 -22.450 53 H5 C 164 H5 C 164 20.021 21.072 -22.869 54 H6 C 164 H6 C 164 21.819 20.299 -24.375 55 1H5* C 165 1H5* C 165 27.726 23.314 -26.014 56 2H5* C 165 2H5* C 165 28.676 23.809 -24.614 57 H4* C 165 H4* C 165 27.831 25.729 -25.857 58 H3* C 165 H3* C 165 26.855 25.330 -23.041 59 H2* C 165 H2* C 165 25.685 27.393 -23.153 60 2HO* C 165 2HO* C 165 26.072 28.468 -25.418 61 H1* C 165 H1* C 165 24.586 26.799 -25.688 62 1H4 C 165 1H4 C 165 19.986 25.360 -21.491 63 2H4 C 165 2H4 C 165 20.720 23.788 -21.257 64 H5 C 165 H5 C 165 22.780 23.142 -22.218 65 H6 C 165 H6 C 165 24.659 23.852 -23.653 66 1H5* U 166 1H5* U 166 28.438 29.322 -23.128 67 2H5* U 166 2H5* U 166 29.502 29.534 -21.737 68 H4* U 166 H4* U 166 27.920 31.312 -21.730 69 H3* U 166 H3* U 166 27.466 29.249 -19.591 70 H2* U 166 H2* U 166 25.708 30.570 -18.693 71 2HO* U 166 2HO* U 166 25.436 32.715 -19.867 72 H1* U 166 H1* U 166 24.502 30.980 -21.192 73 H3 U 166 H3 U 166 21.750 28.203 -18.807 74 H5 U 166 H5 U 166 24.649 25.686 -20.480 75 H6 U 166 H6 U 166 25.855 27.704 -21.177 76 1H5* C 167 1H5* C 167 28.176 33.060 -17.181 77 2H5* C 167 2H5* C 167 29.184 32.485 -15.853 78 H4* C 167 H4* C 167 27.232 33.631 -15.000 79 H3* C 167 H3* C 167 27.392 30.672 -14.476 80 H2* C 167 H2* C 167 25.448 30.822 -13.116 81 2HO* C 167 2HO* C 167 24.897 33.477 -13.454 82 H1* C 167 H1* C 167 24.030 32.323 -15.018 83 1H4 C 167 1H4 C 167 22.288 26.241 -15.979 84 2H4 C 167 2H4 C 167 23.637 26.063 -17.080 85 H5 C 167 H5 C 167 25.279 27.723 -17.427 86 H6 C 167 H6 C 167 26.040 29.987 -16.799 87 1H5* A 168 1H5* A 168 30.705 31.148 -9.915 88 2H5* A 168 2H5* A 168 29.903 32.663 -10.330 89 H4* A 168 H4* A 168 31.800 32.383 -12.330 90 H3* A 168 H3* A 168 32.927 31.278 -9.754 91 H2* A 168 H2* A 168 34.892 32.421 -10.138 92 2HO* A 168 2HO* A 168 34.612 32.974 -12.809 93 H1* A 168 H1* A 168 33.418 34.345 -11.886 94 H8 A 168 H8 A 168 36.154 34.372 -10.163 95 1H6 A 168 1H6 A 168 34.495 38.970 -6.283 96 2H6 A 168 2H6 A 168 35.855 38.073 -6.917 97 H2 A 168 H2 A 168 30.813 37.339 -8.161 98 1H5* U 169 1H5* U 169 35.294 29.028 -10.876 99 2H5* U 169 2H5* U 169 35.408 28.695 -12.605 100 H4* U 169 H4* U 169 35.418 26.537 -10.488 101 H3* U 169 H3* U 169 37.706 28.148 -11.574 102 H2* U 169 H2* U 169 39.091 26.216 -11.569 103 2HO* U 169 2HO* U 169 38.505 25.027 -9.840 104 H1* U 169 H1* U 169 37.220 24.627 -12.885 105 H3 U 169 H3 U 169 40.357 25.422 -16.068 106 H5 U 169 H5 U 169 38.159 28.982 -15.896 107 H6 U 169 H6 U 169 36.998 28.056 -13.945 108 1H5* C 170 1H5* C 170 38.165 30.895 -10.029 109 2H5* C 170 2H5* C 170 39.489 31.148 -8.892 110 H4* C 170 H4* C 170 37.919 32.909 -8.591 111 H3* C 170 H3* C 170 37.863 30.878 -6.361 112 H2* C 170 H2* C 170 36.392 32.297 -5.164 113 2HO* C 170 2HO* C 170 37.433 34.233 -5.686 114 H1* C 170 H1* C 170 34.826 32.831 -7.481 115 1H4 C 170 1H4 C 170 31.475 28.519 -4.167 116 2H4 C 170 2H4 C 170 32.473 27.250 -4.841 117 H5 C 170 H5 C 170 34.361 27.646 -6.205 118 H6 C 170 H6 C 170 35.770 29.373 -7.266 119 1H5* C 171 1H5* C 171 41.517 31.981 -3.050 120 2H5* C 171 2H5* C 171 39.998 31.329 -3.667 121 H4* C 171 H4* C 171 40.482 34.283 -3.255 122 H3* C 171 H3* C 171 39.523 32.226 -1.280 123 H2* C 171 H2* C 171 38.049 33.840 -0.341 124 2HO* C 171 2HO* C 171 38.515 35.977 -0.736 125 H1* C 171 H1* C 171 37.051 34.617 -2.845 126 1H4 C 171 1H4 C 171 32.954 30.241 -0.592 127 2H4 C 171 2H4 C 171 33.892 29.006 -1.403 128 H5 C 171 H5 C 171 35.946 29.417 -2.494 129 H6 C 171 H6 C 171 37.623 31.132 -3.081 130 1H5* G 172 1H5* G 172 40.695 35.540 1.813 131 2H5* G 172 2H5* G 172 41.741 34.485 2.763 132 H4* G 172 H4* G 172 40.160 35.502 4.232 133 H3* G 172 H3* G 172 39.739 32.571 3.741 134 H2* G 172 H2* G 172 37.941 32.554 5.304 135 2HO* G 172 2HO* G 172 37.907 34.195 6.778 136 H1* G 172 H1* G 172 36.683 34.757 4.141 137 H8 G 172 H8 G 172 38.138 32.769 1.380 138 H1 G 172 H1 G 172 32.609 30.269 3.630 139 1H2 G 172 1H2 G 172 32.096 31.207 5.394 140 2H2 G 172 2H2 G 172 33.025 32.482 6.149 141 1H5* U 173 1H5* U 173 39.670 33.094 7.803 142 2H5* U 173 2H5* U 173 40.746 32.010 8.686 143 H4* U 173 H4* U 173 38.602 31.801 9.663 144 H3* U 173 H3* U 173 39.348 29.452 7.939 145 H2* U 173 H2* U 173 37.352 28.345 8.595 146 2HO* U 173 2HO* U 173 36.187 29.253 10.374 147 H1* U 173 H1* U 173 35.749 30.608 8.130 148 H3 U 173 H3 U 173 34.615 27.541 4.935 149 H5 U 173 H5 U 173 38.086 29.378 3.479 150 H6 U 173 H6 U 173 38.301 30.478 5.660 151 1H5* C 174 1H5* C 174 38.284 27.871 11.525 152 2H5* C 174 2H5* C 174 39.421 26.701 12.194 153 H4* C 174 H4* C 174 37.336 25.613 12.109 154 H3* C 174 H3* C 174 39.204 24.723 9.933 155 H2* C 174 H2* C 174 37.605 23.163 9.154 156 2HO* C 174 2HO* C 174 36.944 22.513 11.233 157 H1* C 174 H1* C 174 35.483 25.078 9.422 158 1H4 C 174 1H4 C 174 36.521 24.741 3.137 159 2H4 C 174 2H4 C 174 37.982 25.684 3.329 160 H5 C 174 H5 C 174 38.851 26.350 5.422 161 H6 C 174 H6 C 174 38.529 26.275 7.869 162 1H5* U 175 1H5* U 175 38.934 21.502 13.366 163 2H5* U 175 2H5* U 175 39.369 22.591 14.684 164 H4* U 175 H4* U 175 41.604 20.948 14.391 165 H3* U 175 H3* U 175 39.086 19.342 13.925 166 H2* U 175 H2* U 175 40.042 17.576 15.142 167 2HO* U 175 2HO* U 175 42.332 17.554 15.345 168 H1* U 175 H1* U 175 41.290 19.465 16.976 169 H3 U 175 H3 U 175 39.133 16.876 19.971 170 H5 U 175 H5 U 175 36.018 18.573 17.744 171 H6 U 175 H6 U 175 37.728 19.538 16.274 172 1H5* C 176 1H5* C 176 38.543 19.582 10.982 173 2H5* C 176 2H5* C 176 37.509 19.535 12.411 174 H4* C 176 H4* C 176 36.167 17.770 11.449 175 H3* C 176 H3* C 176 38.270 17.679 9.302 176 H2* C 176 H2* C 176 36.620 17.030 7.721 177 2HO* C 176 2HO* C 176 34.486 16.527 8.610 178 H1* C 176 H1* C 176 34.833 19.044 8.494 179 1H4 C 176 1H4 C 176 38.136 21.378 3.521 180 2H4 C 176 2H4 C 176 39.248 22.099 4.662 181 H5 C 176 H5 C 176 39.177 21.716 6.992 182 H6 C 176 H6 C 176 38.008 20.535 8.819 183 1H5* G 177 1H5* G 177 36.173 13.826 8.823 184 2H5* G 177 2H5* G 177 37.474 12.642 8.958 185 H4* G 177 H4* G 177 36.207 12.123 7.012 186 H3* G 177 H3* G 177 38.924 13.275 6.467 187 H2* G 177 H2* G 177 38.597 12.971 4.126 188 2HO* G 177 2HO* G 177 37.118 11.452 3.556 189 H1* G 177 H1* G 177 36.102 14.220 4.139 190 H8 G 177 H8 G 177 38.249 16.029 6.557 191 H1 G 177 H1 G 177 39.428 17.678 0.411 192 1H2 G 177 1H2 G 177 38.474 16.357 -0.853 193 2H2 G 177 2H2 G 177 37.499 15.003 -0.325 194 1H5* C 178 1H5* C 178 38.711 9.979 4.220 195 2H5* C 178 2H5* C 178 40.072 8.863 4.320 196 H4* C 178 H4* C 178 39.799 9.453 2.038 197 H3* C 178 H3* C 178 42.190 10.710 3.348 198 H2* C 178 H2* C 178 42.821 11.711 1.302 199 2HO* C 178 2HO* C 178 42.033 10.784 -0.575 200 H1* C 178 H1* C 178 40.116 12.470 0.728 201 1H4 C 178 1H4 C 178 42.978 17.899 2.483 202 2H4 C 178 2H4 C 178 42.872 17.404 4.158 203 H5 C 178 H5 C 178 42.079 15.292 4.858 204 H6 C 178 H6 C 178 41.184 13.114 4.116 205 1H5* U 179 1H5* U 179 43.805 8.504 -0.004 206 2H5* U 179 2H5* U 179 45.355 7.785 0.429 207 H4* U 179 H4* U 179 45.628 9.250 -1.465 208 H3* U 179 H3* U 179 46.910 10.158 1.102 209 H2* U 179 H2* U 179 47.883 11.990 -0.035 210 2HO* U 179 2HO* U 179 46.932 11.550 -2.547 211 H1* U 179 H1* U 179 45.455 12.520 -1.461 212 H3 U 179 H3 U 179 46.461 16.263 0.999 213 H5 U 179 H5 U 179 44.581 13.648 3.677 214 H6 U 179 H6 U 179 44.725 11.923 1.940 215 1H5* U 180 1H5* U 180 49.633 9.999 -1.897 216 2H5* U 180 2H5* U 180 51.277 9.453 -1.564 217 H4* U 180 H4* U 180 51.437 11.632 -2.473 218 H3* U 180 H3* U 180 51.972 11.499 0.476 219 H2* U 180 H2* U 180 52.432 13.822 0.535 220 2HO* U 180 2HO* U 180 51.954 13.987 -2.266 221 H1* U 180 H1* U 180 50.155 14.432 -1.066 222 H3 U 180 H3 U 180 49.191 16.473 2.866 223 H5 U 180 H5 U 180 48.701 12.398 3.699 224 H6 U 180 H6 U 180 49.615 11.934 1.471 225 1H5* A 181 1H5* A 181 56.628 11.106 -0.906 226 2H5* A 181 2H5* A 181 57.199 10.413 0.612 227 H4* A 181 H4* A 181 57.977 12.758 0.066 228 H3* A 181 H3* A 181 56.687 12.041 2.691 229 H2* A 181 H2* A 181 57.146 14.231 3.489 230 2HO* A 181 2HO* A 181 58.327 14.939 1.012 231 H1* A 181 H1* A 181 56.156 15.466 1.171 232 H8 A 181 H8 A 181 54.092 12.505 2.192 233 1H6 A 181 1H6 A 181 50.836 16.442 5.776 234 2H6 A 181 2H6 A 181 50.890 14.809 5.150 235 H2 A 181 H2 A 181 54.384 18.606 4.202 236 1H5* U 182 1H5* U 182 60.712 12.386 6.059 237 2H5* U 182 2H5* U 182 59.289 11.429 6.472 238 H4* U 182 H4* U 182 59.559 13.282 8.012 239 H3* U 182 H3* U 182 57.138 12.974 6.413 240 H2* U 182 H2* U 182 56.952 15.219 5.969 241 2HO* U 182 2HO* U 182 55.855 16.042 7.739 242 H1* U 182 H1* U 182 58.969 15.695 8.229 243 H3 U 182 H3 U 182 59.707 20.027 7.492 244 H5 U 182 H5 U 182 58.532 18.688 3.702 245 H6 U 182 H6 U 182 58.302 16.448 4.673 246 1H5* U 183 1H5* U 183 56.414 11.464 12.020 247 2H5* U 183 2H5* U 183 57.475 11.084 10.664 248 H4* U 183 H4* U 183 55.214 9.775 9.910 249 H3* U 183 H3* U 183 55.111 9.956 12.902 250 H2* U 183 H2* U 183 54.468 7.674 13.053 251 2HO* U 183 2HO* U 183 53.273 7.101 11.337 252 H1* U 183 H1* U 183 56.485 6.763 11.377 253 H3 U 183 H3 U 183 58.157 5.482 15.360 254 H5 U 183 H5 U 183 58.517 9.654 15.468 255 H6 U 183 H6 U 183 57.301 9.715 13.339 256 1H5* C 184 1H5* C 184 53.316 11.143 15.286 257 2H5* C 184 2H5* C 184 53.790 9.608 16.014 258 H4* C 184 H4* C 184 51.043 9.401 15.308 259 H3* C 184 H3* C 184 51.741 12.059 16.531 260 H2* C 184 H2* C 184 49.784 11.948 17.875 261 2HO* C 184 2HO* C 184 49.059 9.422 16.870 262 H1* C 184 H1* C 184 50.297 9.279 18.646 263 1H4 C 184 1H4 C 184 52.384 13.090 23.374 264 2H4 C 184 2H4 C 184 53.989 12.941 22.693 265 H5 C 184 H5 C 184 54.449 11.882 20.633 266 H6 C 184 H6 C 184 53.474 10.693 18.700 267 1H5* G 185 1H5* G 185 47.816 15.159 14.191 268 2H5* G 185 2H5* G 185 48.491 15.431 15.798 269 H4* G 185 H4* G 185 45.787 14.527 14.989 270 H3* G 185 H3* G 185 46.958 16.373 17.043 271 H2* G 185 H2* G 185 45.020 16.121 18.406 272 2HO* G 185 2HO* G 185 43.260 14.838 17.437 273 H1* G 185 H1* G 185 45.084 13.333 18.279 274 H8 G 185 H8 G 185 48.590 13.810 18.541 275 H1 G 185 H1 G 185 45.699 15.744 23.999 276 1H2 G 185 1H2 G 185 43.677 15.963 23.667 277 2H2 G 185 2H2 G 185 42.881 15.667 22.137 278 1H5* G 186 1H5* G 186 46.678 20.530 13.836 279 2H5* G 186 2H5* G 186 47.472 20.483 15.411 280 H4* G 186 H4* G 186 44.791 21.729 14.767 281 H3* G 186 H3* G 186 47.525 22.862 15.155 282 H2* G 186 H2* G 186 46.662 24.723 16.368 283 2HO* G 186 2HO* G 186 44.031 23.822 16.387 284 H1* G 186 H1* G 186 45.172 23.118 18.099 285 H8 G 186 H8 G 186 48.091 21.062 17.852 286 H1 G 186 H1 G 186 49.448 26.542 21.015 287 1H2 G 186 1H2 G 186 47.931 27.905 20.713 288 2H2 G 186 2H2 G 186 46.504 27.609 19.746 289 1H5* G 187 1H5* G 187 46.431 25.333 9.899 290 2H5* G 187 2H5* G 187 46.771 23.603 9.952 291 H4* G 187 H4* G 187 48.781 25.848 10.227 292 H3* G 187 H3* G 187 47.982 24.113 7.937 293 H2* G 187 H2* G 187 50.244 23.843 7.240 294 2HO* G 187 2HO* G 187 51.773 25.054 8.865 295 H1* G 187 H1* G 187 51.125 23.070 9.763 296 H8 G 187 H8 G 187 47.758 21.619 9.457 297 H1 G 187 H1 G 187 52.185 18.316 6.083 298 1H2 G 187 1H2 G 187 53.927 19.415 5.971 299 2H2 G 187 2H2 G 187 54.154 20.996 6.685 300 1H5* G 188 1H5* G 188 51.138 26.222 6.260 301 2H5* G 188 2H5* G 188 50.358 27.336 5.136 302 H4* G 188 H4* G 188 52.086 26.446 3.882 303 H3* G 188 H3* G 188 49.542 24.962 3.279 304 H2* G 188 H2* G 188 50.689 23.690 1.622 305 2HO* G 188 2HO* G 188 53.161 24.434 1.660 306 H1* G 188 H1* G 188 52.796 23.046 3.345 307 H8 G 188 H8 G 188 49.782 22.927 5.439 308 H1 G 188 H1 G 188 50.305 17.744 1.599 309 1H2 G 188 1H2 G 188 51.761 18.082 0.179 310 2H2 G 188 2H2 G 188 52.702 19.552 0.049 311 1H5* A 189 1H5* A 189 50.581 26.185 -1.165 312 2H5* A 189 2H5* A 189 48.905 26.557 -1.570 313 H4* A 189 H4* A 189 50.028 24.788 -2.972 314 H3* A 189 H3* A 189 47.398 24.319 -1.587 315 H2* A 189 H2* A 189 47.227 22.203 -2.654 316 2HO* A 189 2HO* A 189 49.590 22.160 -3.996 317 H1* A 189 H1* A 189 49.851 21.465 -1.997 318 H8 A 189 H8 A 189 48.215 23.352 0.794 319 1H6 A 189 1H6 A 189 46.011 17.858 2.772 320 2H6 A 189 2H6 A 189 46.181 19.549 3.186 321 H2 A 189 H2 A 189 47.862 17.257 -1.223 322 1H5* G 190 1H5* G 190 46.551 23.617 -6.174 323 2H5* G 190 2H5* G 190 44.896 24.221 -6.248 324 H4* G 190 H4* G 190 45.160 21.927 -7.134 325 H3* G 190 H3* G 190 43.301 22.453 -4.834 326 H2* G 190 H2* G 190 42.571 20.186 -4.911 327 2HO* G 190 2HO* G 190 43.669 18.915 -6.723 328 H1* G 190 H1* G 190 45.171 19.172 -4.919 329 H8 G 190 H8 G 190 45.227 22.117 -2.697 330 H1 G 190 H1 G 190 42.614 16.914 0.130 331 1H2 G 190 1H2 G 190 42.261 15.463 -1.292 332 2H2 G 190 2H2 G 190 42.618 15.630 -2.996 333 1H5* C 191 1H5* C 191 40.570 20.878 -8.057 334 2H5* C 191 2H5* C 191 38.983 21.571 -7.724 335 H4* C 191 H4* C 191 39.071 19.083 -7.641 336 H3* C 191 H3* C 191 38.133 20.673 -5.265 337 H2* C 191 H2* C 191 37.552 18.648 -4.160 338 2HO* C 191 2HO* C 191 38.354 16.793 -5.920 339 H1* C 191 H1* C 191 40.016 17.436 -4.746 340 1H4 C 191 1H4 C 191 40.592 19.885 1.146 341 2H4 C 191 2H4 C 191 41.214 21.354 0.427 342 H5 C 191 H5 C 191 41.278 21.756 -1.900 343 H6 C 191 H6 C 191 40.756 20.838 -4.132 344 1H5* G 192 1H5* G 192 34.724 17.710 -6.091 345 2H5* G 192 2H5* G 192 33.369 18.838 -6.101 346 H4* G 192 H4* G 192 32.891 16.964 -4.653 347 H3* G 192 H3* G 192 33.215 19.648 -3.347 348 H2* G 192 H2* G 192 32.632 18.702 -1.239 349 2HO* G 192 2HO* G 192 31.769 16.573 -1.252 350 H1* G 192 H1* G 192 34.456 16.602 -1.485 351 H8 G 192 H8 G 192 36.090 19.554 -2.974 352 H1 G 192 H1 G 192 36.205 19.645 3.495 353 1H2 G 192 1H2 G 192 34.936 18.194 4.228 354 2H2 G 192 2H2 G 192 33.983 17.113 3.236 355 1H5* G 193 1H5* G 193 29.872 17.820 -1.699 356 2H5* G 193 2H5* G 193 28.468 18.879 -1.831 357 H4* G 193 H4* G 193 28.596 18.119 0.417 358 H3* G 193 H3* G 193 29.353 21.001 0.041 359 H2* G 193 H2* G 193 29.585 21.252 2.399 360 2HO* G 193 2HO* G 193 29.151 18.689 3.185 361 H1* G 193 H1* G 193 31.207 18.994 2.652 362 H8 G 193 H8 G 193 32.083 20.675 -0.540 363 H1 G 193 H1 G 193 34.778 23.485 4.629 364 1H2 G 193 1H2 G 193 33.935 22.719 6.348 365 2H2 G 193 2H2 G 193 32.684 21.497 6.384 366 1H5* A 194 1H5* A 194 26.357 20.902 3.369 367 2H5* A 194 2H5* A 194 25.200 22.142 2.889 368 H4* A 194 H4* A 194 25.835 22.540 5.154 369 H3* A 194 H3* A 194 26.857 24.524 3.157 370 H2* A 194 H2* A 194 27.896 25.791 4.879 371 2HO* A 194 2HO* A 194 27.451 24.425 7.084 372 H1* A 194 H1* A 194 29.093 23.513 6.029 373 H8 A 194 H8 A 194 29.251 23.353 2.307 374 1H6 A 194 1H6 A 194 34.512 26.689 2.689 375 2H6 A 194 2H6 A 194 33.493 25.768 1.606 376 H2 A 194 H2 A 194 32.617 26.617 6.707 377 1H5* C 195 1H5* C 195 24.495 26.931 6.122 378 2H5* C 195 2H5* C 195 23.876 28.351 5.279 379 H4* C 195 H4* C 195 25.371 28.861 7.200 380 H3* C 195 H3* C 195 26.027 29.861 4.439 381 H2* C 195 H2* C 195 27.857 31.086 5.325 382 2HO* C 195 2HO* C 195 27.197 31.816 7.273 383 H1* C 195 H1* C 195 28.785 28.907 6.852 384 1H4 C 195 1H4 C 195 32.273 28.861 1.489 385 2H4 C 195 2H4 C 195 31.038 27.880 0.731 386 H5 C 195 H5 C 195 28.970 27.353 1.745 387 H6 C 195 H6 C 195 27.565 27.640 3.755 388 1H5* G 196 1H5* G 196 26.327 33.962 6.825 389 2H5* G 196 2H5* G 196 25.014 34.650 5.869 390 H4* G 196 H4* G 196 26.783 36.201 5.772 391 H3* G 196 H3* G 196 26.475 34.616 3.242 392 H2* G 196 H2* G 196 28.219 35.878 2.222 393 2HO* G 196 2HO* G 196 29.132 37.581 3.814 394 H1* G 196 H1* G 196 29.977 35.497 4.354 395 H8 G 196 H8 G 196 27.864 32.456 3.744 396 H1 G 196 H1 G 196 33.145 32.767 0.018 397 1H2 G 196 1H2 G 196 34.028 34.620 0.228 398 2H2 G 196 2H2 G 196 33.427 35.897 1.260 399 1H5* A 197 1H5* A 197 23.800 39.624 2.855 400 2H5* A 197 2H5* A 197 22.934 38.090 2.943 401 H4* A 197 H4* A 197 21.711 39.346 1.414 402 H3* A 197 H3* A 197 23.529 37.424 -0.009 403 H2* A 197 H2* A 197 22.951 38.285 -2.063 404 2HO* A 197 2HO* A 197 20.657 39.610 -1.515 405 H1* A 197 H1* A 197 22.135 40.847 -0.749 406 H8 A 197 H8 A 197 25.017 38.982 -2.443 407 1H6 A 197 1H6 A 197 26.205 44.403 -5.298 408 2H6 A 197 2H6 A 197 26.679 42.722 -5.193 409 H2 A 197 H2 A 197 22.878 45.045 -2.424 410 1H5* U 198 1H5* U 198 19.032 35.533 0.332 411 2H5* U 198 2H5* U 198 19.066 35.571 2.095 412 H4* U 198 H4* U 198 18.641 33.283 0.240 413 H3* U 198 H3* U 198 17.392 34.295 2.780 414 H2* U 198 H2* U 198 16.656 32.126 3.316 415 2HO* U 198 2HO* U 198 17.527 30.795 1.087 416 H1* U 198 H1* U 198 19.134 30.976 2.342 417 H3 U 198 H3 U 198 20.584 29.801 6.406 418 H5 U 198 H5 U 198 18.045 33.020 7.255 419 H6 U 198 H6 U 198 17.734 33.284 4.837 420 1H5* G 199 1H5* G 199 14.497 37.018 -1.338 421 2H5* G 199 2H5* G 199 13.841 37.080 0.298 422 H4* G 199 H4* G 199 11.956 36.855 -1.030 423 H3* G 199 H3* G 199 12.762 34.191 0.087 424 H2* G 199 H2* G 199 10.885 33.163 -0.958 425 2HO* G 199 2HO* G 199 10.211 35.720 -2.045 426 H1* G 199 H1* G 199 11.433 34.295 -3.450 427 H8 G 199 H8 G 199 13.985 32.934 -0.917 428 H1 G 199 H1 G 199 12.991 29.260 -6.151 429 1H2 G 199 1H2 G 199 11.562 30.139 -7.350 430 2H2 G 199 2H2 G 199 10.753 31.647 -6.989 431 1H5* A 200 1H5* A 200 11.392 36.634 3.953 432 2H5* A 200 2H5* A 200 13.115 37.010 3.916 433 H4* A 200 H4* A 200 12.159 36.105 6.093 434 H3* A 200 H3* A 200 14.623 35.004 4.766 435 H2* A 200 H2* A 200 14.958 33.541 6.606 436 2HO* A 200 2HO* A 200 12.839 34.077 8.155 437 H1* A 200 H1* A 200 12.311 32.652 6.635 438 H8 A 200 H8 A 200 13.557 33.216 3.139 439 1H6 A 200 1H6 A 200 15.608 27.324 3.294 440 2H6 A 200 2H6 A 200 15.363 28.712 2.258 441 H2 A 200 H2 A 200 14.245 28.429 7.376 442 1H5* C 201 1H5* C 201 17.375 36.633 8.533 443 2H5* C 201 2H5* C 201 18.124 35.036 8.498 444 H4* C 201 H4* C 201 15.374 35.841 9.331 445 H3* C 201 H3* C 201 17.567 34.117 10.448 446 H2* C 201 H2* C 201 15.997 32.812 11.608 447 2HO* C 201 2HO* C 201 13.673 34.020 11.130 448 H1* C 201 H1* C 201 14.138 32.998 9.369 449 1H4 C 201 1H4 C 201 15.711 26.823 9.479 450 2H4 C 201 2H4 C 201 17.345 27.222 8.997 451 H5 C 201 H5 C 201 18.141 29.432 8.743 452 H6 C 201 H6 C 201 17.558 31.826 8.890 453 1H5* C 202 1H5* C 202 15.666 35.855 14.129 454 2H5* C 202 2H5* C 202 16.891 35.811 15.397 455 H4* C 202 H4* C 202 14.909 34.402 15.867 456 H3* C 202 H3* C 202 17.618 33.080 15.680 457 H2* C 202 H2* C 202 16.639 31.087 16.485 458 2HO* C 202 2HO* C 202 15.375 32.067 18.080 459 H1* C 202 H1* C 202 14.299 31.498 14.851 460 1H4 C 202 1H4 C 202 17.517 26.650 12.182 461 2H4 C 202 2H4 C 202 18.477 27.819 11.305 462 H5 C 202 H5 C 202 18.342 30.152 11.645 463 H6 C 202 H6 C 202 17.241 31.956 12.923 464 1H5* C 203 1H5* C 203 16.661 32.761 20.164 465 2H5* C 203 2H5* C 203 18.240 32.537 20.917 466 H4* C 203 H4* C 203 16.655 30.648 21.253 467 H3* C 203 H3* C 203 19.319 30.166 19.925 468 H2* C 203 H2* C 203 18.895 27.830 20.022 469 2HO* C 203 2HO* C 203 17.253 27.126 21.423 470 H1* C 203 H1* C 203 16.243 28.157 19.067 471 1H4 C 203 1H4 C 203 19.664 26.282 14.000 472 2H4 C 203 2H4 C 203 20.129 27.946 13.729 473 H5 C 203 H5 C 203 19.592 29.718 15.195 474 H6 C 203 H6 C 203 18.466 30.335 17.304 475 1H5* U 204 1H5* U 204 18.508 28.209 23.355 476 2H5* U 204 2H5* U 204 19.667 27.695 24.582 477 H4* U 204 H4* U 204 18.394 25.801 23.810 478 H3* U 204 H3* U 204 21.309 25.833 23.078 479 H2* U 204 H2* U 204 21.093 23.654 22.141 480 2HO* U 204 2HO* U 204 19.216 22.483 22.651 481 H1* U 204 H1* U 204 18.843 24.333 20.635 482 H3 U 204 H3 U 204 22.512 23.814 17.877 483 H5 U 204 H5 U 204 22.463 27.851 18.994 484 H6 U 204 H6 U 204 20.721 27.276 20.622 485 1H5* A 205 1H5* A 205 21.721 23.312 27.151 486 2H5* A 205 2H5* A 205 23.479 23.328 27.298 487 H4* A 205 H4* A 205 22.287 21.191 26.456 488 H3* A 205 H3* A 205 24.785 22.387 25.282 489 H2* A 205 H2* A 205 24.951 20.548 23.790 490 2HO* A 205 2HO* A 205 22.587 19.441 24.930 491 H1* A 205 H1* A 205 22.267 20.679 23.019 492 H8 A 205 H8 A 205 23.329 24.178 23.376 493 1H6 A 205 1H6 A 205 25.924 23.763 17.715 494 2H6 A 205 2H6 A 205 25.460 24.875 18.984 495 H2 A 205 H2 A 205 24.825 19.668 19.044 496 1H5* G 206 1H5* G 206 28.636 21.379 25.964 497 2H5* G 206 2H5* G 206 28.223 22.300 24.518 498 H4* G 206 H4* G 206 29.916 20.457 24.220 499 H3* G 206 H3* G 206 27.449 20.690 22.520 500 H2* G 206 H2* G 206 28.191 18.856 21.193 501 2HO* G 206 2HO* G 206 30.404 18.015 22.230 502 H1* G 206 H1* G 206 28.690 17.228 23.399 503 H8 G 206 H8 G 206 26.011 19.448 21.900 504 H1 G 206 H1 G 206 23.830 13.856 24.322 505 1H2 G 206 1H2 G 206 25.358 12.894 25.317 506 2H2 G 206 2H2 G 206 26.988 13.511 25.474 507 1H5* U 207 1H5* U 207 28.416 21.559 18.189 508 2H5* U 207 2H5* U 207 30.086 21.248 17.715 509 H4* U 207 H4* U 207 28.832 23.345 16.815 510 H3* U 207 H3* U 207 31.688 23.226 17.752 511 H2* U 207 H2* U 207 31.979 25.501 17.144 512 2HO* U 207 2HO* U 207 30.193 26.477 15.930 513 H1* U 207 H1* U 207 29.642 26.357 18.401 514 H3 U 207 H3 U 207 32.593 27.956 21.387 515 H5 U 207 H5 U 207 33.042 23.809 21.760 516 H6 U 207 H6 U 207 31.480 23.570 19.885 517 1H5* A 208 1H5* A 208 33.972 23.747 12.951 518 2H5* A 208 2H5* A 208 32.675 23.902 11.766 519 H4* A 208 H4* A 208 34.142 22.191 11.014 520 H3* A 208 H3* A 208 31.478 21.263 11.988 521 H2* A 208 H2* A 208 32.031 18.985 11.571 522 2HO* A 208 2HO* A 208 33.233 19.369 9.690 523 H1* A 208 H1* A 208 34.464 19.152 12.942 524 H8 A 208 H8 A 208 31.286 20.923 14.141 525 1H6 A 208 1H6 A 208 30.759 16.189 18.173 526 2H6 A 208 2H6 A 208 30.056 17.710 17.674 527 H2 A 208 H2 A 208 34.265 15.403 15.558 528 1H5* G 209 1H5* G 209 30.825 20.015 8.550 529 2H5* G 209 2H5* G 209 29.154 20.096 7.994 530 H4* G 209 H4* G 209 29.715 18.112 9.411 531 H3* G 209 H3* G 209 27.470 19.977 10.122 532 H2* G 209 H2* G 209 26.864 18.553 11.934 533 2HO* G 209 2HO* G 209 29.062 16.872 11.216 534 H1* G 209 H1* G 209 29.468 18.426 12.928 535 H8 G 209 H8 G 209 29.011 21.867 11.671 536 H1 G 209 H1 G 209 26.202 20.920 17.423 537 1H2 G 209 1H2 G 209 26.164 18.902 17.848 538 2H2 G 209 2H2 G 209 26.797 17.652 16.800 539 1H5* A 210 1H5* A 210 25.987 16.124 11.098 540 2H5* A 210 2H5* A 210 24.490 15.998 10.173 541 H4* A 210 H4* A 210 24.039 15.502 12.476 542 H3* A 210 H3* A 210 22.916 18.127 11.507 543 H2* A 210 H2* A 210 21.771 18.360 13.572 544 2HO* A 210 2HO* A 210 21.816 16.456 14.990 545 H1* A 210 H1* A 210 24.043 17.638 15.086 546 H8 A 210 H8 A 210 24.957 19.904 12.265 547 1H6 A 210 1H6 A 210 23.621 24.670 16.064 548 2H6 A 210 2H6 A 210 24.324 24.242 14.520 549 H2 A 210 H2 A 210 22.277 20.915 18.021 550 1H5* G 211 1H5* G 211 20.197 15.473 13.061 551 2H5* G 211 2H5* G 211 18.553 15.369 12.431 552 H4* G 211 H4* G 211 18.499 15.730 14.813 553 H3* G 211 H3* G 211 17.513 17.996 13.101 554 H2* G 211 H2* G 211 16.851 19.178 15.061 555 2HO* G 211 2HO* G 211 16.743 18.007 16.993 556 H1* G 211 H1* G 211 19.320 18.812 16.317 557 H8 G 211 H8 G 211 20.130 19.357 12.777 558 H1 G 211 H1 G 211 18.527 24.848 15.802 559 1H2 G 211 1H2 G 211 17.691 24.407 17.635 560 2H2 G 211 2H2 G 211 17.458 22.789 18.258 561 1H5* G 212 1H5* G 212 13.827 17.049 15.818 562 2H5* G 212 2H5* G 212 12.591 17.061 14.560 563 H4* G 212 H4* G 212 11.970 18.504 16.413 564 H3* G 212 H3* G 212 12.487 19.797 13.751 565 H2* G 212 H2* G 212 11.807 21.901 14.640 566 2HO* G 212 2HO* G 212 11.141 21.696 17.034 567 H1* G 212 H1* G 212 13.462 21.682 16.877 568 H8 G 212 H8 G 212 15.234 20.207 13.960 569 H1 G 212 H1 G 212 15.578 26.667 14.149 570 1H2 G 212 1H2 G 212 14.270 27.385 15.573 571 2H2 G 212 2H2 G 212 13.235 26.386 16.567 572 1H5* G 213 1H5* G 213 8.051 20.821 14.598 573 2H5* G 213 2H5* G 213 7.355 20.763 12.979 574 H4* G 213 H4* G 213 7.006 22.912 14.195 575 H3* G 213 H3* G 213 8.343 22.840 11.505 576 H2* G 213 H2* G 213 8.399 25.223 11.473 577 2HO* G 213 2HO* G 213 7.378 26.172 13.544 578 H1* G 213 H1* G 213 9.516 25.402 14.023 579 H8 G 213 H8 G 213 11.051 22.445 12.436 580 H1 G 213 H1 G 213 13.602 28.008 10.334 581 1H2 G 213 1H2 G 213 12.428 29.584 10.960 582 2H2 G 213 2H2 G 213 10.970 29.422 11.912 583 1H5* G 214 1H5* G 214 7.550 26.237 9.889 584 2H5* G 214 2H5* G 214 6.226 25.731 8.840 585 H4* G 214 H4* G 214 8.034 26.585 7.505 586 H3* G 214 H3* G 214 7.505 23.636 7.286 587 H2* G 214 H2* G 214 9.152 23.469 5.571 588 2HO* G 214 2HO* G 214 9.986 25.462 4.729 589 H1* G 214 H1* G 214 11.084 24.826 7.050 590 H8 G 214 H8 G 214 9.090 22.755 9.402 591 H1 G 214 H1 G 214 13.602 19.369 6.229 592 1H2 G 214 1H2 G 214 14.382 20.519 4.705 593 2H2 G 214 2H2 G 214 13.886 22.157 4.340 594 1H5* G 215 1H5* G 215 7.006 25.000 3.090 595 2H5* G 215 2H5* G 215 5.584 24.145 2.493 596 H4* G 215 H4* G 215 7.570 23.762 1.102 597 H3* G 215 H3* G 215 6.287 21.420 2.483 598 H2* G 215 H2* G 215 7.776 19.947 1.348 599 2HO* G 215 2HO* G 215 9.236 21.950 0.093 600 H1* G 215 H1* G 215 10.038 21.436 2.039 601 H8 G 215 H8 G 215 7.564 21.411 4.845 602 H1 G 215 H1 G 215 11.364 16.174 4.686 603 1H2 G 215 1H2 G 215 12.433 16.152 2.923 604 2H2 G 215 2H2 G 215 12.316 17.370 1.674 605 1H5* C 216 1H5* C 216 3.905 21.096 -1.676 606 2H5* C 216 2H5* C 216 2.796 19.791 -1.253 607 H4* C 216 H4* C 216 4.950 19.306 -2.643 608 H3* C 216 H3* C 216 3.844 17.608 -0.412 609 H2* C 216 H2* C 216 5.514 15.985 -0.862 610 2HO* C 216 2HO* C 216 5.786 15.950 -3.023 611 H1* C 216 H1* C 216 7.577 17.888 -1.003 612 1H4 C 216 1H4 C 216 7.764 15.612 4.973 613 2H4 C 216 2H4 C 216 6.590 16.822 5.439 614 H5 C 216 H5 C 216 5.515 18.270 3.913 615 H6 C 216 H6 C 216 5.301 18.919 1.540 616 1H5* U 217 1H5* U 217 2.457 15.138 -3.870 617 2H5* U 217 2H5* U 217 1.369 13.929 -3.189 618 H4* U 217 H4* U 217 3.881 13.368 -3.544 619 H3* U 217 H3* U 217 2.289 12.669 -1.071 620 H2* U 217 H2* U 217 4.129 11.392 -0.328 621 2HO* U 217 2HO* U 217 5.520 10.613 -1.886 622 H1* U 217 H1* U 217 6.002 13.377 -1.208 623 H3 U 217 H3 U 217 6.530 12.785 3.326 624 H5 U 217 H5 U 217 3.346 15.473 2.902 625 H6 U 217 H6 U 217 3.384 14.985 0.499 626 1H5* G 218 1H5* G 218 -0.163 8.624 -2.863 627 2H5* G 218 2H5* G 218 -0.255 8.196 -1.154 628 H4* G 218 H4* G 218 0.836 6.375 -2.024 629 H3* G 218 H3* G 218 2.858 8.313 -0.977 630 H2* G 218 H2* G 218 4.648 7.069 -1.803 631 2HO* G 218 2HO* G 218 3.536 4.805 -2.663 632 H1* G 218 H1* G 218 3.034 6.220 -4.113 633 H8 G 218 H8 G 218 3.852 9.860 -3.592 634 H1 G 218 H1 G 218 8.121 6.688 -7.279 635 1H2 G 218 1H2 G 218 7.709 4.667 -7.227 636 2H2 G 218 2H2 G 218 6.402 3.941 -6.320 637 1H5* C 219 1H5* C 219 3.949 7.547 1.424 638 2H5* C 219 2H5* C 219 3.927 5.969 2.210 639 H4* C 219 H4* C 219 4.826 6.897 4.007 640 H3* C 219 H3* C 219 2.119 8.095 4.141 641 H2* C 219 H2* C 219 2.750 9.859 5.550 642 2HO* C 219 2HO* C 219 4.071 8.902 7.010 643 H1* C 219 H1* C 219 5.053 10.590 4.245 644 1H4 C 219 1H4 C 219 0.245 13.818 1.457 645 2H4 C 219 2H4 C 219 0.365 12.690 0.125 646 H5 C 219 H5 C 219 1.734 10.766 0.149 647 H6 C 219 H6 C 219 3.341 9.436 1.471 648 1H5* G 220 1H5* G 220 4.803 3.696 5.776 649 2H5* G 220 2H5* G 220 5.284 5.394 5.776 650 H4* G 220 H4* G 220 6.460 3.238 4.386 651 H3* G 220 H3* G 220 6.965 6.224 4.376 652 H2* G 220 H2* G 220 8.590 5.873 2.747 653 2HO* G 220 2HO* G 220 9.555 3.728 2.676 654 H1* G 220 H1* G 220 7.115 3.530 1.736 655 H8 G 220 H8 G 220 6.743 4.016 -0.704 656 H1 G 220 H1 G 220 6.982 10.420 0.201 657 1H2 G 220 1H2 G 220 7.153 10.825 2.217 658 2H2 G 220 2H2 G 220 7.221 9.610 3.473 659 1H5* G 221 1H5* G 221 10.295 4.915 4.984 660 2H5* G 221 2H5* G 221 11.522 5.663 6.006 661 H4* G 221 H4* G 221 11.752 5.822 3.441 662 H3* G 221 H3* G 221 12.182 8.067 5.389 663 H2* G 221 H2* G 221 12.818 9.506 3.602 664 2HO* G 221 2HO* G 221 12.322 7.445 1.719 665 H1* G 221 H1* G 221 10.590 8.907 2.059 666 H8 G 221 H8 G 221 10.293 9.057 5.867 667 H1 G 221 H1 G 221 8.569 14.458 2.748 668 1H2 G 221 1H2 G 221 8.951 14.242 0.733 669 2H2 G 221 2H2 G 221 9.637 12.810 -0.002 670 1H5* C 222 1H5* C 222 15.960 8.151 3.376 671 2H5* C 222 2H5* C 222 17.152 8.774 4.515 672 H4* C 222 H4* C 222 16.575 10.251 2.541 673 H3* C 222 H3* C 222 16.432 11.270 5.382 674 H2* C 222 H2* C 222 16.096 13.444 4.524 675 2HO* C 222 2HO* C 222 16.285 13.401 1.988 676 H1* C 222 H1* C 222 14.316 12.477 2.492 677 1H4 C 222 1H4 C 222 10.584 15.338 6.825 678 2H4 C 222 2H4 C 222 10.617 13.875 7.782 679 H5 C 222 H5 C 222 11.946 11.993 7.266 680 H6 C 222 H6 C 222 13.588 11.041 5.686 681 1H5* U 223 1H5* U 223 19.859 13.650 3.523 682 2H5* U 223 2H5* U 223 20.511 14.618 4.847 683 H4* U 223 H4* U 223 19.100 15.704 2.912 684 H3* U 223 H3* U 223 19.023 16.425 5.840 685 H2* U 223 H2* U 223 17.556 18.205 5.327 686 2HO* U 223 2HO* U 223 18.652 18.870 3.460 687 H1* U 223 H1* U 223 15.966 16.667 3.587 688 H3 U 223 H3 U 223 13.580 17.788 7.385 689 H5 U 223 H5 U 223 15.496 14.165 8.241 690 H6 U 223 H6 U 223 16.769 14.461 6.167 691 1H5* U 224 1H5* U 224 20.295 15.838 0.617 692 2H5* U 224 2H5* U 224 20.283 17.494 0.012 693 H4* U 224 H4* U 224 18.339 15.546 -0.382 694 H3* U 224 H3* U 224 18.354 18.532 -0.848 695 H2* U 224 H2* U 224 16.148 18.347 -1.677 696 2HO* U 224 2HO* U 224 16.527 16.454 -2.868 697 H1* U 224 H1* U 224 15.382 16.553 0.402 698 H3 U 224 H3 U 224 12.717 20.119 1.216 699 H5 U 224 H5 U 224 16.534 21.465 2.291 700 H6 U 224 H6 U 224 17.422 19.366 1.387 701 1H5* A 225 1H5* A 225 19.794 17.134 -5.327 702 2H5* A 225 2H5* A 225 19.947 18.727 -6.066 703 H4* A 225 H4* A 225 17.914 17.278 -6.668 704 H3* A 225 H3* A 225 17.790 20.196 -5.940 705 H2* A 225 H2* A 225 15.465 20.205 -6.420 706 2HO* A 225 2HO* A 225 14.617 18.294 -7.485 707 H1* A 225 H1* A 225 14.958 17.874 -4.957 708 H8 A 225 H8 A 225 17.514 20.290 -3.527 709 1H6 A 225 1H6 A 225 12.774 22.699 -0.259 710 2H6 A 225 2H6 A 225 14.507 22.756 -0.495 711 H2 A 225 H2 A 225 11.130 19.677 -3.071 712 1H5* G 226 1H5* G 226 16.145 19.029 -9.551 713 2H5* G 226 2H5* G 226 16.038 20.114 -10.938 714 H4* G 226 H4* G 226 13.852 19.248 -10.352 715 H3* G 226 H3* G 226 14.325 22.190 -10.038 716 H2* G 226 H2* G 226 12.064 22.516 -9.360 717 2HO* G 226 2HO* G 226 10.838 21.062 -10.414 718 H1* G 226 H1* G 226 12.173 20.478 -7.449 719 H8 G 226 H8 G 226 15.459 22.108 -7.285 720 H1 G 226 H1 G 226 10.834 25.620 -4.428 721 1H2 G 226 1H2 G 226 8.983 24.858 -4.928 722 2H2 G 226 2H2 G 226 8.724 23.474 -5.965 723 1H5* G 227 1H5* G 227 13.057 24.087 -10.448 724 2H5* G 227 2H5* G 227 12.404 24.005 -12.083 725 H4* G 227 H4* G 227 12.767 26.314 -11.173 726 H3* G 227 H3* G 227 13.943 25.422 -13.788 727 H2* G 227 H2* G 227 14.775 27.622 -14.168 728 2HO* G 227 2HO* G 227 14.177 29.124 -12.240 729 H1* G 227 H1* G 227 15.963 27.801 -11.655 730 H8 G 227 H8 G 227 15.992 24.414 -13.392 731 H1 G 227 H1 G 227 21.234 28.063 -14.436 732 1H2 G 227 1H2 G 227 20.952 29.927 -13.603 733 2H2 G 227 2H2 G 227 19.511 30.428 -12.748 734 1H5* A 228 1H5* A 228 12.067 29.317 -14.042 735 2H5* A 228 2H5* A 228 11.361 29.553 -15.640 736 H4* A 228 H4* A 228 12.963 31.312 -15.064 737 H3* A 228 H3* A 228 13.544 29.543 -17.422 738 H2* A 228 H2* A 228 15.472 30.834 -17.929 739 2HO* A 228 2HO* A 228 15.712 32.729 -16.284 740 H1* A 228 H1* A 228 16.393 30.803 -15.272 741 H8 A 228 H8 A 228 14.991 27.470 -16.152 742 1H6 A 228 1H6 A 228 20.578 26.070 -18.551 743 2H6 A 228 2H6 A 228 19.022 25.409 -18.104 744 H2 A 228 H2 A 228 20.517 30.412 -17.613 745 1H5* G 229 1H5* G 229 13.622 33.777 -19.116 746 2H5* G 229 2H5* G 229 12.698 33.587 -20.606 747 H4* G 229 H4* G 229 14.819 34.646 -21.066 748 H3* G 229 H3* G 229 14.418 31.884 -22.176 749 H2* G 229 H2* G 229 16.510 32.035 -23.308 750 2HO* G 229 2HO* G 229 17.242 34.498 -22.284 751 H1* G 229 H1* G 229 17.883 32.856 -21.024 752 H8 G 229 H8 G 229 15.361 30.413 -19.882 753 H1 G 229 H1 G 229 20.506 27.596 -22.615 754 1H2 G 229 1H2 G 229 21.650 29.025 -23.567 755 2H2 G 229 2H2 G 229 21.270 30.732 -23.618 756 1H5* G 230 1H5* G 230 15.448 34.388 -25.762 757 2H5* G 230 2H5* G 230 14.284 33.864 -26.978 758 H4* G 230 H4* G 230 16.538 33.723 -27.845 759 H3* G 230 H3* G 230 15.061 31.135 -27.454 760 H2* G 230 H2* G 230 16.870 29.953 -28.459 761 2HO* G 230 2HO* G 230 18.658 31.406 -29.247 762 H1* G 230 H1* G 230 18.789 31.173 -26.844 763 H8 G 230 H8 G 230 15.782 30.655 -24.748 764 H1 G 230 H1 G 230 19.285 25.265 -25.499 765 1H2 G 230 1H2 G 230 20.695 25.561 -26.975 766 2H2 G 230 2H2 G 230 20.898 27.047 -27.875 767 1H5* G 231 1H5* G 231 16.702 31.028 -31.369 768 2H5* G 231 2H5* G 231 15.384 30.731 -32.502 769 H4* G 231 H4* G 231 17.083 29.206 -33.065 770 H3* G 231 H3* G 231 14.824 27.909 -31.569 771 H2* G 231 H2* G 231 15.856 25.780 -31.858 772 2HO* G 231 2HO* G 231 17.362 25.610 -33.476 773 H1* G 231 H1* G 231 18.335 26.666 -30.934 774 H8 G 231 H8 G 231 15.634 28.347 -28.992 775 H1 G 231 H1 G 231 16.980 22.379 -26.881 776 1H2 G 231 1H2 G 231 18.215 21.432 -28.234 777 2H2 G 231 2H2 G 231 18.798 22.148 -29.721 778 1H5* C 232 1H5* C 232 15.653 25.676 -35.035 779 2H5* C 232 2H5* C 232 14.204 25.040 -35.813 780 H4* C 232 H4* C 232 15.732 23.243 -35.294 781 H3* C 232 H3* C 232 13.152 23.288 -33.741 782 H2* C 232 H2* C 232 13.718 21.192 -32.776 783 2HO* C 232 2HO* C 232 16.156 20.770 -33.860 784 H1* C 232 H1* C 232 16.345 22.019 -32.164 785 1H4 C 232 1H4 C 232 13.055 22.800 -26.741 786 2H4 C 232 2H4 C 232 12.511 24.360 -27.318 787 H5 C 232 H5 C 232 12.957 25.190 -29.484 788 H6 C 232 H6 C 232 14.044 24.721 -31.652 789 1H5* A 233 1H5* A 233 13.162 19.359 -35.937 790 2H5* A 233 2H5* A 233 11.516 19.181 -36.542 791 H4* A 233 H4* A 233 12.174 17.207 -35.318 792 H3* A 233 H3* A 233 9.987 18.886 -34.146 793 H2* A 233 H2* A 233 9.725 17.362 -32.343 794 2HO* A 233 2HO* A 233 11.276 15.421 -32.558 795 H1* A 233 H1* A 233 12.483 17.256 -31.814 796 H8 A 233 H8 A 233 11.562 20.753 -32.647 797 1H6 A 233 1H6 A 233 9.899 21.455 -26.672 798 2H6 A 233 2H6 A 233 10.185 22.307 -28.173 799 H2 A 233 H2 A 233 10.641 17.137 -27.410 800 1H5* G 234 1H5* G 234 8.011 14.673 -34.514 801 2H5* G 234 2H5* G 234 6.513 15.160 -35.307 802 H4* G 234 H4* G 234 5.965 13.799 -33.424 803 H3* G 234 H3* G 234 5.293 16.710 -33.126 804 H2* G 234 H2* G 234 4.267 16.265 -31.022 805 2HO* G 234 2HO* G 234 3.490 14.241 -30.844 806 H1* G 234 H1* G 234 6.465 14.824 -30.070 807 H8 G 234 H8 G 234 7.661 17.683 -32.141 808 H1 G 234 H1 G 234 6.158 19.357 -26.072 809 1H2 G 234 1H2 G 234 5.185 17.792 -25.147 810 2H2 G 234 2H2 G 234 4.829 16.255 -25.903 811 1H GLY 15 1H GLY 15 3.092 -1.489 -2.405 812 1HA GLY 15 1HA GLY 15 4.855 -2.336 -0.321 813 2HA GLY 15 2HA GLY 15 5.133 -2.501 -2.048 814 H ARG 16 H ARG 16 7.370 -1.987 -1.368 815 HA ARG 16 HA ARG 16 7.778 0.889 -0.916 816 1HB ARG 16 2HB ARG 16 10.138 0.181 -0.349 817 2HB ARG 16 3HB ARG 16 8.891 -0.376 0.759 818 1HG ARG 16 2HG ARG 16 9.399 -2.271 -1.380 819 2HG ARG 16 3HG ARG 16 10.838 -1.922 -0.421 820 1HD ARG 16 2HD ARG 16 8.161 -2.776 0.677 821 2HD ARG 16 3HD ARG 16 9.565 -3.823 0.474 822 HE ARG 16 HE ARG 16 10.498 -1.802 2.021 823 1HH1 ARG 16 2HH1 ARG 16 7.772 -3.956 2.251 824 2HH1 ARG 16 1HH1 ARG 16 7.750 -3.953 3.984 825 1HH2 ARG 16 2HH2 ARG 16 10.478 -1.789 4.303 826 2HH2 ARG 16 1HH2 ARG 16 9.288 -2.720 5.149 827 H ALA 17 H ALA 17 7.634 1.713 -2.968 828 HA ALA 17 HA ALA 17 9.260 0.533 -5.088 829 1HB ALA 17 1HB ALA 17 7.270 1.046 -6.061 830 2HB ALA 17 2HB ALA 17 6.974 2.420 -4.995 831 3HB ALA 17 3HB ALA 17 8.108 2.573 -6.337 832 H ARG 18 H ARG 18 10.287 2.105 -2.697 833 HA ARG 18 HA ARG 18 11.188 4.620 -3.318 834 1HB ARG 18 2HB ARG 18 11.994 2.493 -1.507 835 2HB ARG 18 3HB ARG 18 13.370 3.440 -2.054 836 1HG ARG 18 2HG ARG 18 11.406 5.312 -1.412 837 2HG ARG 18 3HG ARG 18 11.339 4.101 -0.131 838 1HD ARG 18 2HD ARG 18 13.742 5.676 -1.040 839 2HD ARG 18 3HD ARG 18 12.905 5.800 0.507 840 HE ARG 18 HE ARG 18 14.915 3.911 -0.201 841 1HH1 ARG 18 2HH1 ARG 18 12.041 4.346 1.714 842 2HH1 ARG 18 1HH1 ARG 18 12.478 3.141 2.880 843 1HH2 ARG 18 2HH2 ARG 18 15.502 2.322 1.326 844 2HH2 ARG 18 1HH2 ARG 18 14.447 1.990 2.659 845 H GLY 19 H GLY 19 12.610 5.494 -4.700 846 1HA GLY 19 1HA GLY 19 14.738 5.413 -5.855 847 2HA GLY 19 2HA GLY 19 14.486 3.689 -6.087 848 H LEU 20 H LEU 20 11.646 4.113 -6.823 849 HA LEU 20 HA LEU 20 12.115 5.097 -9.558 850 1HB LEU 20 2HB LEU 20 10.716 2.768 -8.463 851 2HB LEU 20 3HB LEU 20 9.811 3.640 -9.700 852 HG LEU 20 HG LEU 20 12.580 3.099 -10.456 853 1HD1 LEU 20 1HD1 LEU 20 11.782 1.088 -9.002 854 2HD1 LEU 20 2HD1 LEU 20 12.567 0.801 -10.555 855 3HD1 LEU 20 3HD1 LEU 20 10.812 0.696 -10.423 856 1HD2 LEU 20 1HD2 LEU 20 11.235 3.829 -12.182 857 2HD2 LEU 20 2HD2 LEU 20 9.844 2.890 -11.638 858 3HD2 LEU 20 3HD2 LEU 20 11.203 2.081 -12.419 859 H CYS 21 H CYS 21 11.142 7.015 -10.099 860 HA CYS 21 HA CYS 21 9.313 8.198 -8.326 861 1HB CYS 21 2HB CYS 21 10.879 9.457 -9.802 862 2HB CYS 21 3HB CYS 21 9.935 8.970 -11.196 863 H TYR 22 H TYR 22 7.095 8.633 -8.725 864 HA TYR 22 HA TYR 22 5.773 6.705 -10.519 865 1HB TYR 22 2HB TYR 22 5.036 6.010 -8.455 866 2HB TYR 22 3HB TYR 22 5.159 7.617 -7.749 867 HD1 TYR 22 HD1 TYR 22 3.184 5.824 -10.371 868 HD2 TYR 22 HD2 TYR 22 3.193 8.713 -7.248 869 HE1 TYR 22 HE1 TYR 22 0.758 6.123 -10.649 870 HE2 TYR 22 HE2 TYR 22 0.768 9.019 -7.515 871 HH TYR 22 HH TYR 22 -1.084 8.268 -8.512 872 H THR 23 H THR 23 6.068 10.013 -9.569 873 HA THR 23 HA THR 23 3.671 11.029 -10.649 874 HB THR 23 HB THR 23 6.341 12.409 -10.312 875 HG1 THR 23 HG1 THR 23 5.678 11.955 -8.297 876 1HG2 THR 23 1HG2 THR 23 5.103 13.738 -11.820 877 2HG2 THR 23 2HG2 THR 23 4.844 14.470 -10.237 878 3HG2 THR 23 3HG2 THR 23 3.594 13.455 -10.954 879 H CYS 24 H CYS 24 6.970 10.606 -12.091 880 HA CYS 24 HA CYS 24 5.721 11.237 -14.664 881 1HB CYS 24 2HB CYS 24 7.920 11.883 -15.474 882 2HB CYS 24 3HB CYS 24 7.513 12.804 -14.039 883 H GLY 25 H GLY 25 7.783 9.096 -12.781 884 1HA GLY 25 1HA GLY 25 7.703 6.717 -13.046 885 2HA GLY 25 2HA GLY 25 7.313 6.955 -14.743 886 H SER 26 H SER 26 9.879 8.622 -13.009 887 HA SER 26 HA SER 26 11.806 7.451 -14.877 888 1HB SER 26 2HB SER 26 11.547 9.988 -14.514 889 2HB SER 26 3HB SER 26 12.368 9.721 -12.977 890 HG SER 26 HG SER 26 13.363 9.673 -15.548 891 HA PRO 27 HA PRO 27 13.191 4.816 -11.562 892 1HB PRO 27 2HB PRO 27 15.187 3.633 -12.971 893 2HB PRO 27 3HB PRO 27 13.484 3.205 -13.174 894 1HG PRO 27 2HG PRO 27 15.198 5.003 -14.845 895 2HG PRO 27 3HG PRO 27 14.022 3.781 -15.362 896 1HD PRO 27 2HD PRO 27 13.451 6.428 -15.321 897 2HD PRO 27 3HD PRO 27 12.224 5.182 -15.012 898 H GLY 28 H GLY 28 14.012 6.479 -10.205 899 1HA GLY 28 1HA GLY 28 16.684 6.417 -9.599 900 2HA GLY 28 2HA GLY 28 16.527 7.742 -10.744 901 H HIS 29 H HIS 29 14.687 9.308 -10.186 902 HA HIS 29 HA HIS 29 15.057 10.081 -7.401 903 1HB HIS 29 2HB HIS 29 14.213 12.240 -8.047 904 2HB HIS 29 3HB HIS 29 15.385 11.726 -9.256 905 HD1 HIS 29 HD1 HIS 29 14.627 11.847 -11.615 906 HD2 HIS 29 HD2 HIS 29 11.436 11.788 -8.956 907 HE1 HIS 29 HE1 HIS 29 12.573 12.187 -13.023 908 H TYR 30 H TYR 30 12.850 11.478 -6.774 909 HA TYR 30 HA TYR 30 10.586 9.632 -7.075 910 1HB TYR 30 2HB TYR 30 12.115 9.919 -4.725 911 2HB TYR 30 3HB TYR 30 10.602 10.767 -4.429 912 HD1 TYR 30 HD1 TYR 30 11.736 7.545 -5.959 913 HD2 TYR 30 HD2 TYR 30 8.908 9.533 -3.481 914 HE1 TYR 30 HE1 TYR 30 10.627 5.396 -5.511 915 HE2 TYR 30 HE2 TYR 30 7.791 7.390 -3.024 916 HH TYR 30 HH TYR 30 7.599 5.221 -3.763 917 H GLN 31 H GLN 31 8.586 10.724 -5.920 918 HA GLN 31 HA GLN 31 7.812 12.903 -7.412 919 1HB GLN 31 2HB GLN 31 6.175 11.574 -6.260 920 2HB GLN 31 3HB GLN 31 6.852 12.002 -4.695 921 1HG GLN 31 2HG GLN 31 5.626 13.842 -4.568 922 2HG GLN 31 3HG GLN 31 6.091 14.350 -6.191 923 1HE2 GLN 31 1HE2 GLN 31 4.285 14.844 -7.218 924 2HE2 GLN 31 2HE2 GLN 31 2.868 13.860 -7.301 925 H ALA 32 H ALA 32 9.207 12.883 -4.153 926 HA ALA 32 HA ALA 32 9.011 15.598 -3.583 927 1HB ALA 32 1HB ALA 32 11.090 15.153 -2.150 928 2HB ALA 32 2HB ALA 32 9.632 14.222 -1.803 929 3HB ALA 32 3HB ALA 32 10.953 13.486 -2.711 930 H GLN 33 H GLN 33 11.150 13.910 -5.727 931 HA GLN 33 HA GLN 33 12.510 16.454 -6.319 932 1HB GLN 33 2HB GLN 33 13.644 13.678 -6.123 933 2HB GLN 33 3HB GLN 33 14.440 14.918 -7.081 934 1HG GLN 33 2HG GLN 33 15.336 15.848 -5.282 935 2HG GLN 33 3HG GLN 33 13.780 15.900 -4.452 936 1HE2 GLN 33 1HE2 GLN 33 13.064 13.865 -3.448 937 2HE2 GLN 33 2HE2 GLN 33 14.258 12.839 -2.736 938 H CYS 34 H CYS 34 10.038 15.337 -7.559 939 HA CYS 34 HA CYS 34 10.935 14.306 -10.082 940 1HB CYS 34 2HB CYS 34 8.823 13.539 -8.995 941 2HB CYS 34 3HB CYS 34 8.145 15.140 -9.223 942 HA PRO 35 HA PRO 35 11.589 18.449 -11.637 943 1HB PRO 35 2HB PRO 35 12.198 17.689 -14.171 944 2HB PRO 35 3HB PRO 35 13.333 17.538 -12.824 945 1HG PRO 35 2HG PRO 35 11.574 15.455 -14.061 946 2HG PRO 35 3HG PRO 35 13.267 15.330 -13.547 947 1HD PRO 35 2HD PRO 35 11.217 14.388 -12.051 948 2HD PRO 35 3HD PRO 35 12.704 15.038 -11.331 949 H LYS 36 H LYS 36 9.207 16.188 -12.620 950 HA LYS 36 HA LYS 36 7.948 18.075 -14.466 951 1HB LYS 36 2HB LYS 36 8.221 15.518 -14.868 952 2HB LYS 36 3HB LYS 36 6.848 15.368 -13.780 953 1HG LYS 36 2HG LYS 36 5.435 16.569 -15.244 954 2HG LYS 36 3HG LYS 36 6.796 17.098 -16.234 955 1HD LYS 36 2HD LYS 36 6.308 15.360 -17.554 956 2HD LYS 36 3HD LYS 36 7.019 14.356 -16.289 957 1HE LYS 36 2HE LYS 36 4.984 13.339 -16.498 958 2HE LYS 36 3HE LYS 36 4.596 14.535 -15.264 959 1HZ LYS 36 1HZ LYS 36 4.254 15.632 -17.853 960 2HZ LYS 36 2HZ LYS 36 3.120 15.462 -16.610 961 3HZ LYS 36 3HZ LYS 36 3.362 14.201 -17.710 962 H LYS 37 H LYS 37 7.996 17.621 -11.243 963 HA LYS 37 HA LYS 37 5.388 17.462 -10.356 964 1HB LYS 37 2HB LYS 37 7.895 18.635 -9.317 965 2HB LYS 37 3HB LYS 37 6.414 19.251 -8.595 966 1HG LYS 37 2HG LYS 37 6.142 16.457 -8.685 967 2HG LYS 37 3HG LYS 37 7.777 16.786 -8.109 968 1HD LYS 37 2HD LYS 37 6.703 16.912 -6.113 969 2HD LYS 37 3HD LYS 37 6.443 18.578 -6.640 970 1HE LYS 37 2HE LYS 37 4.397 16.887 -7.722 971 2HE LYS 37 3HE LYS 37 4.507 16.643 -5.978 972 1HZ LYS 37 1HZ LYS 37 4.161 18.944 -5.599 973 2HZ LYS 37 2HZ LYS 37 2.968 18.447 -6.689 974 3HZ LYS 37 3HZ LYS 37 4.307 19.319 -7.243 975 H ARG 38 H ARG 38 3.866 19.078 -9.689 976 HA ARG 38 HA ARG 38 3.175 20.918 -11.627 977 1HB ARG 38 2HB ARG 38 2.272 20.221 -8.971 978 2HB ARG 38 3HB ARG 38 2.155 21.956 -9.230 979 1HG ARG 38 2HG ARG 38 1.002 19.883 -11.082 980 2HG ARG 38 3HG ARG 38 0.097 20.705 -9.810 981 1HD ARG 38 2HD ARG 38 1.589 22.279 -11.871 982 2HD ARG 38 3HD ARG 38 -0.003 21.614 -12.237 983 HE ARG 38 HE ARG 38 -0.206 22.967 -9.817 984 1HH1 ARG 38 2HH1 ARG 38 0.482 23.686 -13.154 985 2HH1 ARG 38 1HH1 ARG 38 -0.154 25.296 -13.074 986 1HH2 ARG 38 2HH2 ARG 38 -1.047 25.083 -9.700 987 2HH2 ARG 38 1HH2 ARG 38 -1.023 26.090 -11.108 988 H LYS 39 H LYS 39 4.316 22.602 -12.309 989 HA LYS 39 HA LYS 39 5.150 24.634 -10.428 990 1HB LYS 39 2HB LYS 39 7.041 22.859 -10.757 991 2HB LYS 39 3HB LYS 39 7.267 23.650 -12.311 992 1HG LYS 39 2HG LYS 39 7.113 25.577 -10.166 993 2HG LYS 39 3HG LYS 39 8.384 24.386 -9.882 994 1HD LYS 39 2HD LYS 39 9.454 24.902 -11.928 995 2HD LYS 39 3HD LYS 39 8.064 25.821 -12.507 996 1HE LYS 39 2HE LYS 39 9.226 26.763 -9.975 997 2HE LYS 39 3HE LYS 39 10.274 26.919 -11.383 998 1HZ LYS 39 1HZ LYS 39 7.605 28.117 -10.948 999 2HZ LYS 39 2HZ LYS 39 8.286 27.999 -12.491 1000 3HZ LYS 39 3HZ LYS 39 9.066 28.900 -11.291 1001 H SER 40 H SER 40 5.671 26.645 -11.441 1002 HA SER 40 HA SER 40 5.750 27.094 -14.198 1003 1HB SER 40 2HB SER 40 3.553 26.563 -14.619 1004 2HB SER 40 3HB SER 40 3.027 26.989 -12.990 1005 HG SER 40 HG SER 40 3.254 28.562 -15.251 1006 H GLY 41 H GLY 41 6.592 29.060 -14.484 1007 1HA GLY 41 1HA GLY 41 5.776 31.437 -13.314 1008 2HA GLY 41 2HA GLY 41 7.030 30.787 -12.269 1009 H ASN 42 H ASN 42 7.834 33.027 -13.083 1010 HA ASN 42 HA ASN 42 9.666 32.479 -15.309 1011 1HB ASN 42 2HB ASN 42 7.557 34.473 -15.251 1012 2HB ASN 42 3HB ASN 42 9.137 35.217 -15.477 1013 1HD2 ASN 42 1HD2 ASN 42 10.513 34.210 -17.174 1014 2HD2 ASN 42 2HD2 ASN 42 9.731 33.678 -18.621 1015 H SER 43 H SER 43 11.589 33.817 -15.303 1016 HA SER 43 HA SER 43 12.158 35.203 -12.788 1017 1HB SER 43 2HB SER 43 13.247 32.622 -13.564 1018 2HB SER 43 3HB SER 43 14.520 33.817 -13.318 1019 HG SER 43 HG SER 43 14.181 33.668 -11.261 1020 H ARG 44 H ARG 44 14.118 36.518 -12.887 1021 HA ARG 44 HA ARG 44 15.197 37.056 -15.533 1022 1HB ARG 44 2HB ARG 44 13.380 38.895 -14.056 1023 2HB ARG 44 3HB ARG 44 14.750 39.605 -14.898 1024 1HG ARG 44 2HG ARG 44 13.680 37.890 -16.768 1025 2HG ARG 44 3HG ARG 44 12.262 38.547 -15.949 1026 1HD ARG 44 2HD ARG 44 14.504 40.253 -17.013 1027 2HD ARG 44 3HD ARG 44 13.068 39.847 -17.950 1028 HE ARG 44 HE ARG 44 12.128 40.894 -15.592 1029 1HH1 ARG 44 2HH1 ARG 44 14.201 41.979 -18.170 1030 2HH1 ARG 44 1HH1 ARG 44 13.776 43.648 -17.984 1031 1HH2 ARG 44 2HH2 ARG 44 11.561 43.088 -15.339 1032 2HH2 ARG 44 1HH2 ARG 44 12.275 44.278 -16.373 1033 H GLU 45 H GLU 45 17.321 37.234 -15.316 1034 HA GLU 45 HA GLU 45 19.386 37.557 -14.415 1035 1HB GLU 45 2HB GLU 45 17.970 39.785 -12.940 1036 2HB GLU 45 3HB GLU 45 19.711 39.619 -13.113 1037 1HG GLU 45 2HG GLU 45 19.297 41.107 -14.777 1038 2HG GLU 45 3HG GLU 45 19.120 39.600 -15.676 1039 H ARG 46 H ARG 46 19.551 35.621 -13.288 1040 HA ARG 46 HA ARG 46 18.785 35.666 -10.452 1041 1HB ARG 46 2HB ARG 46 18.162 33.773 -12.178 1042 2HB ARG 46 3HB ARG 46 19.788 33.206 -11.821 1043 1HG ARG 46 2HG ARG 46 19.280 32.732 -9.614 1044 2HG ARG 46 3HG ARG 46 17.883 33.811 -9.601 1045 1HD ARG 46 2HD ARG 46 17.362 31.908 -11.588 1046 2HD ARG 46 3HD ARG 46 18.024 31.006 -10.226 1047 HE ARG 46 HE ARG 46 15.964 32.889 -9.514 1048 1HH1 ARG 46 2HH1 ARG 46 16.672 29.638 -10.539 1049 2HH1 ARG 46 1HH1 ARG 46 15.199 28.980 -9.909 1050 1HH2 ARG 46 2HH2 ARG 46 14.019 32.034 -8.681 1051 2HH2 ARG 46 1HH2 ARG 46 13.690 30.343 -8.853 1052 H CYS 47 H CYS 47 20.398 34.229 -9.007 1053 HA CYS 47 HA CYS 47 23.106 35.034 -9.783 1054 1HB CYS 47 2HB CYS 47 22.243 36.518 -8.007 1055 2HB CYS 47 3HB CYS 47 21.922 35.129 -6.988 1056 H GLN 48 H GLN 48 24.271 33.259 -10.072 1057 HA GLN 48 HA GLN 48 23.449 30.725 -8.876 1058 1HB GLN 48 2HB GLN 48 24.425 31.406 -11.389 1059 2HB GLN 48 3HB GLN 48 25.785 30.613 -10.605 1060 1HG GLN 48 2HG GLN 48 23.088 29.346 -10.518 1061 2HG GLN 48 3HG GLN 48 24.068 29.229 -11.978 1062 1HE2 GLN 48 1HE2 GLN 48 23.934 28.478 -8.560 1063 2HE2 GLN 48 2HE2 GLN 48 25.099 27.203 -8.599 1064 H LEU 49 H LEU 49 24.740 32.847 -7.303 1065 HA LEU 49 HA LEU 49 27.104 31.327 -6.422 1066 1HB LEU 49 2HB LEU 49 26.977 34.004 -7.341 1067 2HB LEU 49 3HB LEU 49 27.305 34.049 -5.611 1068 HG LEU 49 HG LEU 49 28.963 32.194 -7.207 1069 1HD1 LEU 49 1HD1 LEU 49 30.468 34.276 -7.663 1070 2HD1 LEU 49 2HD1 LEU 49 28.936 35.149 -7.620 1071 3HD1 LEU 49 3HD1 LEU 49 29.177 33.850 -8.788 1072 1HD2 LEU 49 1HD2 LEU 49 30.171 32.293 -5.351 1073 2HD2 LEU 49 2HD2 LEU 49 28.986 33.400 -4.658 1074 3HD2 LEU 49 3HD2 LEU 49 30.375 34.035 -5.540 1075 H CYS 50 H CYS 50 24.303 33.378 -5.494 1076 HA CYS 50 HA CYS 50 24.599 32.241 -2.816 1077 1HB CYS 50 2HB CYS 50 24.110 34.273 -1.743 1078 2HB CYS 50 3HB CYS 50 25.294 34.697 -2.963 1079 H ASN 51 H ASN 51 23.060 31.871 -5.466 1080 HA ASN 51 HA ASN 51 20.996 31.203 -6.148 1081 1HB ASN 51 2HB ASN 51 20.956 30.718 -3.212 1082 2HB ASN 51 3HB ASN 51 19.415 30.648 -4.064 1083 1HD2 ASN 51 1HD2 ASN 51 21.682 28.753 -2.894 1084 2HD2 ASN 51 2HD2 ASN 51 21.673 27.462 -4.044 1085 H GLY 52 H GLY 52 21.582 34.081 -5.346 1086 1HA GLY 52 1HA GLY 52 19.192 35.239 -4.368 1087 2HA GLY 52 2HA GLY 52 20.462 36.083 -5.241 1088 H MET 53 H MET 53 17.676 36.574 -5.508 1089 HA MET 53 HA MET 53 17.289 35.768 -8.315 1090 1HB MET 53 2HB MET 53 15.699 34.773 -6.521 1091 2HB MET 53 3HB MET 53 14.989 36.382 -6.485 1092 1HG MET 53 2HG MET 53 15.155 35.730 -9.185 1093 2HG MET 53 3HG MET 53 14.627 34.252 -8.386 1094 1HE MET 53 1HE MET 53 11.973 35.063 -10.118 1095 2HE MET 53 2HE MET 53 11.894 36.824 -10.115 1096 3HE MET 53 3HE MET 53 13.402 36.010 -10.535 1097 H GLY 54 H GLY 54 18.035 37.592 -9.301 1098 1HA GLY 54 1HA GLY 54 16.603 39.695 -9.989 1099 2HA GLY 54 2HA GLY 54 17.083 40.198 -8.375 1100 H HIS 55 H HIS 55 19.613 39.669 -8.072 1101 HA HIS 55 HA HIS 55 20.906 41.356 -10.044 1102 1HB HIS 55 2HB HIS 55 22.832 41.288 -8.490 1103 2HB HIS 55 3HB HIS 55 21.346 41.802 -7.696 1104 HD1 HIS 55 HD1 HIS 55 20.125 39.875 -6.243 1105 HD2 HIS 55 HD2 HIS 55 24.080 39.177 -7.306 1106 HE1 HIS 55 HE1 HIS 55 20.922 38.052 -4.706 1107 H ASN 56 H ASN 56 23.449 40.555 -10.184 1108 HA ASN 56 HA ASN 56 23.291 37.861 -11.369 1109 1HB ASN 56 2HB ASN 56 24.279 40.402 -12.436 1110 2HB ASN 56 3HB ASN 56 25.432 39.082 -12.607 1111 1HD2 ASN 56 1HD2 ASN 56 22.734 40.578 -13.897 1112 2HD2 ASN 56 2HD2 ASN 56 22.282 39.361 -15.037 1113 H ALA 57 H ALA 57 25.118 36.509 -11.195 1114 HA ALA 57 HA ALA 57 26.412 36.513 -8.725 1115 1HB ALA 57 1HB ALA 57 28.034 34.903 -10.041 1116 2HB ALA 57 2HB ALA 57 26.380 34.426 -9.656 1117 3HB ALA 57 3HB ALA 57 26.774 35.017 -11.270 1118 H LYS 58 H LYS 58 27.446 37.763 -11.853 1119 HA LYS 58 HA LYS 58 30.133 38.271 -11.214 1120 1HB LYS 58 2HB LYS 58 28.606 38.522 -13.458 1121 2HB LYS 58 3HB LYS 58 28.828 40.209 -13.014 1122 1HG LYS 58 2HG LYS 58 30.716 40.055 -14.193 1123 2HG LYS 58 3HG LYS 58 31.360 39.245 -12.762 1124 1HD LYS 58 2HD LYS 58 29.974 37.298 -14.273 1125 2HD LYS 58 3HD LYS 58 30.985 38.210 -15.398 1126 1HE LYS 58 2HE LYS 58 32.745 37.863 -13.411 1127 2HE LYS 58 3HE LYS 58 31.748 36.431 -13.159 1128 1HZ LYS 58 1HZ LYS 58 32.554 36.961 -15.900 1129 2HZ LYS 58 2HZ LYS 58 32.457 35.495 -15.063 1130 3HZ LYS 58 3HZ LYS 58 33.795 36.506 -14.843 1131 H GLN 59 H GLN 59 27.232 39.858 -10.273 1132 HA GLN 59 HA GLN 59 28.794 42.104 -9.180 1133 1HB GLN 59 2HB GLN 59 26.814 42.429 -10.898 1134 2HB GLN 59 3HB GLN 59 25.824 42.246 -9.456 1135 1HG GLN 59 2HG GLN 59 26.070 44.477 -9.361 1136 2HG GLN 59 3HG GLN 59 27.577 44.051 -8.552 1137 1HE2 GLN 59 1HE2 GLN 59 28.965 45.568 -9.167 1138 2HE2 GLN 59 2HE2 GLN 59 29.319 45.998 -10.803 1139 H CYS 60 H CYS 60 27.923 39.217 -8.131 1140 HA CYS 60 HA CYS 60 26.437 40.076 -5.801 1141 1HB CYS 60 2HB CYS 60 25.809 37.977 -6.960 1142 2HB CYS 60 3HB CYS 60 27.386 37.305 -6.600 1143 H ARG 61 H ARG 61 27.333 40.145 -3.781 1144 HA ARG 61 HA ARG 61 28.903 40.353 -2.148 1145 1HB ARG 61 2HB ARG 61 29.361 37.890 -3.287 1146 2HB ARG 61 3HB ARG 61 30.943 38.651 -3.377 1147 1HG ARG 61 2HG ARG 61 31.271 38.523 -1.165 1148 2HG ARG 61 3HG ARG 61 29.599 38.945 -0.792 1149 1HD ARG 61 2HD ARG 61 29.967 36.712 -0.038 1150 2HD ARG 61 3HD ARG 61 28.948 36.631 -1.475 1151 HE ARG 61 HE ARG 61 31.689 36.372 -2.159 1152 1HH1 ARG 61 2HH1 ARG 61 29.013 34.633 -0.767 1153 2HH1 ARG 61 1HH1 ARG 61 29.608 33.076 -1.243 1154 1HH2 ARG 61 2HH2 ARG 61 32.483 34.329 -2.790 1155 2HH2 ARG 61 1HH2 ARG 61 31.583 32.905 -2.393 1156 H LYS 62 H LYS 62 31.128 41.141 -1.701 1157 HA LYS 62 HA LYS 62 31.767 43.331 -3.334 1158 1HB LYS 62 2HB LYS 62 33.686 43.648 -1.893 1159 2HB LYS 62 3HB LYS 62 32.297 43.181 -0.918 1160 1HG LYS 62 2HG LYS 62 33.334 41.374 -0.148 1161 2HG LYS 62 3HG LYS 62 33.840 40.882 -1.767 1162 1HD LYS 62 2HD LYS 62 35.902 41.704 -1.478 1163 2HD LYS 62 3HD LYS 62 35.293 43.206 -0.778 1164 1HE LYS 62 2HE LYS 62 34.913 41.951 1.355 1165 2HE LYS 62 3HE LYS 62 35.744 40.578 0.627 1166 1HZ LYS 62 1HZ LYS 62 37.555 41.513 1.513 1167 2HZ LYS 62 2HZ LYS 62 36.827 43.029 1.699 1168 3HZ LYS 62 3HZ LYS 62 37.484 42.584 0.205 1169 H ARG 63 H ARG 63 34.137 43.670 -4.096 1170 HA ARG 63 HA ARG 63 35.761 43.188 -5.613 1171 1HB ARG 63 2HB ARG 63 36.213 41.375 -3.869 1172 2HB ARG 63 3HB ARG 63 35.363 40.276 -4.948 1173 1HG ARG 63 2HG ARG 63 37.415 39.891 -5.762 1174 2HG ARG 63 3HG ARG 63 37.130 41.381 -6.664 1175 1HD ARG 63 2HD ARG 63 39.124 41.940 -5.740 1176 2HD ARG 63 3HD ARG 63 38.081 42.439 -4.408 1177 HE ARG 63 HE ARG 63 39.050 40.819 -3.135 1178 1HH1 ARG 63 2HH1 ARG 63 39.484 39.991 -6.489 1179 2HH1 ARG 63 1HH1 ARG 63 40.466 38.603 -6.154 1180 1HH2 ARG 63 2HH2 ARG 63 40.340 38.994 -2.682 1181 2HH2 ARG 63 1HH2 ARG 63 40.951 38.036 -3.988 1182 H ASP 64 H ASP 64 34.891 43.714 -7.545 1183 HA ASP 64 HA ASP 64 32.938 42.027 -8.836 1184 1HB ASP 64 2HB ASP 64 32.858 43.705 -10.549 1185 2HB ASP 64 3HB ASP 64 32.930 44.534 -8.996 Start of MODEL 10 1 1H5* C 160 1H5* C 160 5.695 34.033 -12.772 2 2H5* C 160 2H5* C 160 6.322 32.397 -12.568 3 H4* C 160 H4* C 160 3.970 32.321 -13.091 4 H3* C 160 H3* C 160 5.847 31.247 -15.172 5 H2* C 160 H2* C 160 3.998 30.567 -16.507 6 2HO* C 160 2HO* C 160 2.153 31.647 -14.660 7 H1* C 160 H1* C 160 2.716 33.059 -16.261 8 1H4 C 160 1H4 C 160 5.902 33.220 -21.817 9 2H4 C 160 2H4 C 160 7.263 33.914 -20.965 10 H5 C 160 H5 C 160 7.360 34.157 -18.618 11 H6 C 160 H6 C 160 6.164 33.790 -16.489 12 1H5* U 161 1H5* U 161 3.128 27.825 -14.195 13 2H5* U 161 2H5* U 161 4.115 26.368 -14.300 14 H4* U 161 H4* U 161 2.153 26.296 -15.775 15 H3* U 161 H3* U 161 4.901 26.159 -16.983 16 H2* U 161 H2* U 161 3.939 25.795 -19.129 17 2HO* U 161 2HO* U 161 1.894 24.977 -19.152 18 H1* U 161 H1* U 161 2.128 27.928 -18.843 19 H3 U 161 H3 U 161 5.242 28.993 -22.069 20 H5 U 161 H5 U 161 6.921 30.195 -18.426 21 H6 U 161 H6 U 161 5.087 29.015 -17.304 22 1H5* G 162 1H5* G 162 2.679 22.808 -18.360 23 2H5* G 162 2H5* G 162 3.580 21.309 -18.128 24 H4* G 162 H4* G 162 2.831 21.298 -20.363 25 H3* G 162 H3* G 162 5.758 21.931 -20.116 26 H2* G 162 H2* G 162 5.954 21.935 -22.490 27 2HO* G 162 2HO* G 162 3.823 21.405 -23.607 28 H1* G 162 H1* G 162 3.774 23.643 -22.836 29 H8 G 162 H8 G 162 5.607 24.692 -19.779 30 H1 G 162 H1 G 162 8.341 26.822 -25.244 31 1H2 G 162 1H2 G 162 7.470 25.885 -26.861 32 2H2 G 162 2H2 G 162 6.190 24.698 -26.752 33 1H5* C 163 1H5* C 163 5.355 18.942 -22.896 34 2H5* C 163 2H5* C 163 6.455 17.581 -22.672 35 H4* C 163 H4* C 163 6.722 18.321 -24.901 36 H3* C 163 H3* C 163 8.999 19.088 -23.101 37 H2* C 163 H2* C 163 10.153 20.053 -24.936 38 2HO* C 163 2HO* C 163 9.663 19.206 -26.891 39 H1* C 163 H1* C 163 7.837 21.413 -25.844 40 1H4 C 163 1H4 C 163 11.144 25.860 -22.679 41 2H4 C 163 2H4 C 163 10.574 25.197 -21.164 42 H5 C 163 H5 C 163 9.278 23.231 -20.993 43 H6 C 163 H6 C 163 8.196 21.399 -22.247 44 1H5* C 164 1H5* C 164 10.882 16.779 -26.406 45 2H5* C 164 2H5* C 164 12.198 15.849 -25.690 46 H4* C 164 H4* C 164 13.002 17.281 -27.484 47 H3* C 164 H3* C 164 13.972 17.867 -24.698 48 H2* C 164 H2* C 164 15.433 19.528 -25.561 49 2HO* C 164 2HO* C 164 16.149 18.928 -27.519 50 H1* C 164 H1* C 164 13.421 20.664 -27.184 51 1H4 C 164 1H4 C 164 13.569 24.345 -21.967 52 2H4 C 164 2H4 C 164 12.569 23.177 -21.131 53 H5 C 164 H5 C 164 11.936 21.094 -22.046 54 H6 C 164 H6 C 164 12.108 19.602 -24.006 55 1H5* C 165 1H5* C 165 17.410 17.128 -27.162 56 2H5* C 165 2H5* C 165 18.688 16.277 -26.295 57 H4* C 165 H4* C 165 19.534 18.352 -27.184 58 H3* C 165 H3* C 165 19.330 18.157 -24.194 59 H2* C 165 H2* C 165 20.353 20.291 -23.974 60 2HO* C 165 2HO* C 165 20.693 21.061 -26.503 61 H1* C 165 H1* C 165 18.679 21.445 -25.937 62 1H4 C 165 1H4 C 165 16.044 23.038 -20.335 63 2H4 C 165 2H4 C 165 15.214 21.498 -20.313 64 H5 C 165 H5 C 165 15.564 19.793 -21.910 65 H6 C 165 H6 C 165 16.808 19.139 -23.940 66 1H5* U 166 1H5* U 166 23.341 19.480 -24.901 67 2H5* U 166 2H5* U 166 24.412 18.380 -24.031 68 H4* U 166 H4* U 166 25.007 20.590 -23.410 69 H3* U 166 H3* U 166 23.526 19.092 -21.263 70 H2* U 166 H2* U 166 23.856 20.915 -19.773 71 2HO* U 166 2HO* U 166 25.201 22.723 -20.790 72 H1* U 166 H1* U 166 23.026 22.817 -21.675 73 H3 U 166 H3 U 166 19.833 22.717 -18.393 74 H5 U 166 H5 U 166 18.889 19.521 -20.928 75 H6 U 166 H6 U 166 21.027 19.917 -22.062 76 1H5* C 167 1H5* C 167 27.234 20.322 -19.625 77 2H5* C 167 2H5* C 167 27.901 19.201 -18.437 78 H4* C 167 H4* C 167 27.525 21.359 -17.424 79 H3* C 167 H3* C 167 25.774 19.111 -16.462 80 H2* C 167 H2* C 167 24.832 20.545 -14.826 81 2HO* C 167 2HO* C 167 26.027 22.325 -14.240 82 H1* C 167 H1* C 167 24.516 22.663 -16.700 83 1H4 C 167 1H4 C 167 18.707 20.070 -16.089 84 2H4 C 167 2H4 C 167 19.156 18.842 -17.251 85 H5 C 167 H5 C 167 21.329 18.611 -18.148 86 H6 C 167 H6 C 167 23.629 19.510 -18.148 87 1H5* A 168 1H5* A 168 28.481 19.804 -11.348 88 2H5* A 168 2H5* A 168 27.441 20.759 -12.404 89 H4* A 168 H4* A 168 29.420 21.875 -13.346 90 H3* A 168 H3* A 168 30.952 20.052 -11.494 91 H2* A 168 H2* A 168 32.612 21.730 -11.284 92 2HO* A 168 2HO* A 168 32.711 22.477 -13.367 93 H1* A 168 H1* A 168 30.682 23.784 -10.949 94 H8 A 168 H8 A 168 31.156 20.323 -9.340 95 1H6 A 168 1H6 A 168 32.185 23.493 -4.063 96 2H6 A 168 2H6 A 168 32.106 21.891 -4.762 97 H2 A 168 H2 A 168 31.319 26.416 -7.295 98 1H5* U 169 1H5* U 169 35.525 20.414 -12.196 99 2H5* U 169 2H5* U 169 35.004 20.282 -13.876 100 H4* U 169 H4* U 169 35.151 17.808 -12.192 101 H3* U 169 H3* U 169 37.520 19.370 -13.144 102 H2* U 169 H2* U 169 38.625 17.375 -13.824 103 2HO* U 169 2HO* U 169 36.548 15.646 -13.235 104 H1* U 169 H1* U 169 36.466 16.423 -15.280 105 H3 U 169 H3 U 169 39.187 17.862 -18.587 106 H5 U 169 H5 U 169 37.712 21.410 -16.921 107 H6 U 169 H6 U 169 36.659 20.041 -15.182 108 1H5* C 170 1H5* C 170 37.315 21.479 -11.875 109 2H5* C 170 2H5* C 170 38.987 21.799 -11.419 110 H4* C 170 H4* C 170 37.855 23.679 -10.675 111 H3* C 170 H3* C 170 38.268 21.759 -8.402 112 H2* C 170 H2* C 170 37.259 23.304 -6.902 113 2HO* C 170 2HO* C 170 36.744 25.137 -8.989 114 H1* C 170 H1* C 170 35.044 23.745 -8.541 115 1H4 C 170 1H4 C 170 33.426 19.041 -4.490 116 2H4 C 170 2H4 C 170 33.846 17.896 -5.744 117 H5 C 170 H5 C 170 34.865 18.499 -7.787 118 H6 C 170 H6 C 170 35.741 20.368 -9.143 119 1H5* C 171 1H5* C 171 42.499 21.778 -6.707 120 2H5* C 171 2H5* C 171 41.346 21.007 -5.617 121 H4* C 171 H4* C 171 42.029 23.831 -5.953 122 H3* C 171 H3* C 171 40.886 22.104 -3.765 123 H2* C 171 H2* C 171 40.232 24.070 -2.599 124 2HO* C 171 2HO* C 171 42.051 25.306 -3.078 125 H1* C 171 H1* C 171 39.111 25.238 -4.908 126 1H4 C 171 1H4 C 171 34.257 22.575 -1.681 127 2H4 C 171 2H4 C 171 34.490 21.121 -2.626 128 H5 C 171 H5 C 171 36.284 20.802 -4.130 129 H6 C 171 H6 C 171 38.314 21.809 -5.109 130 1H5* G 172 1H5* G 172 44.928 23.094 -1.306 131 2H5* G 172 2H5* G 172 45.178 21.421 -0.810 132 H4* G 172 H4* G 172 44.904 22.884 1.114 133 H3* G 172 H3* G 172 42.818 20.776 0.643 134 H2* G 172 H2* G 172 41.750 21.371 2.688 135 2HO* G 172 2HO* G 172 43.463 23.502 3.236 136 H1* G 172 H1* G 172 41.711 24.093 2.074 137 H8 G 172 H8 G 172 41.104 22.307 -1.100 138 H1 G 172 H1 G 172 35.850 22.553 2.671 139 1H2 G 172 1H2 G 172 36.384 23.202 4.554 140 2H2 G 172 2H2 G 172 38.012 23.616 5.040 141 1H5* U 173 1H5* U 173 44.098 20.421 4.620 142 2H5* U 173 2H5* U 173 44.565 18.766 5.007 143 H4* U 173 H4* U 173 43.066 19.523 6.695 144 H3* U 173 H3* U 173 41.893 17.496 4.811 145 H2* U 173 H2* U 173 39.902 17.444 6.111 146 2HO* U 173 2HO* U 173 41.028 17.627 8.104 147 H1* U 173 H1* U 173 39.671 20.230 6.190 148 H3 U 173 H3 U 173 36.367 18.550 3.466 149 H5 U 173 H5 U 173 39.710 19.060 0.996 150 H6 U 173 H6 U 173 41.017 19.503 3.023 151 1H5* C 174 1H5* C 174 41.156 15.504 8.737 152 2H5* C 174 2H5* C 174 41.915 13.933 8.476 153 H4* C 174 H4* C 174 39.699 13.567 9.271 154 H3* C 174 H3* C 174 40.129 12.894 6.376 155 H2* C 174 H2* C 174 37.898 12.087 6.218 156 2HO* C 174 2HO* C 174 37.106 11.322 8.094 157 H1* C 174 H1* C 174 36.845 14.372 7.511 158 1H4 C 174 1H4 C 174 36.010 15.393 1.251 159 2H4 C 174 2H4 C 174 37.624 16.066 1.176 160 H5 C 174 H5 C 174 39.139 16.056 2.986 161 H6 C 174 H6 C 174 39.483 15.391 5.340 162 1H5* U 175 1H5* U 175 41.440 10.608 9.656 163 2H5* U 175 2H5* U 175 42.779 9.508 9.326 164 H4* U 175 H4* U 175 41.825 7.771 10.451 165 H3* U 175 H3* U 175 39.125 8.876 9.663 166 H2* U 175 H2* U 175 38.153 7.572 11.374 167 2HO* U 175 2HO* U 175 40.255 6.255 12.384 168 H1* U 175 H1* U 175 40.333 8.183 13.164 169 H3 U 175 H3 U 175 36.735 9.671 15.485 170 H5 U 175 H5 U 175 37.094 12.398 12.329 171 H6 U 175 H6 U 175 38.835 10.943 11.399 172 1H5* C 176 1H5* C 176 37.296 8.798 7.886 173 2H5* C 176 2H5* C 176 36.672 9.174 9.492 174 H4* C 176 H4* C 176 34.783 7.597 9.066 175 H3* C 176 H3* C 176 36.172 7.233 6.446 176 H2* C 176 H2* C 176 34.110 7.215 5.266 177 2HO* C 176 2HO* C 176 32.273 6.779 6.447 178 H1* C 176 H1* C 176 33.155 9.529 6.503 179 1H4 C 176 1H4 C 176 35.913 11.658 1.154 180 2H4 C 176 2H4 C 176 37.475 11.580 1.938 181 H5 C 176 H5 C 176 37.819 10.701 4.102 182 H6 C 176 H6 C 176 36.738 9.670 6.069 183 1H5* G 177 1H5* G 177 32.812 4.542 6.485 184 2H5* G 177 2H5* G 177 33.435 2.927 6.150 185 H4* G 177 H4* G 177 31.577 3.288 4.719 186 H3* G 177 H3* G 177 34.234 3.369 3.323 187 H2* G 177 H2* G 177 33.131 3.613 1.225 188 2HO* G 177 2HO* G 177 30.558 3.789 2.024 189 H1* G 177 H1* G 177 31.519 5.706 2.121 190 H8 G 177 H8 G 177 34.878 6.031 3.689 191 H1 G 177 H1 G 177 34.647 8.328 -2.356 192 1H2 G 177 1H2 G 177 32.868 7.771 -3.237 193 2H2 G 177 2H2 G 177 31.624 6.822 -2.455 194 1H5* C 178 1H5* C 178 31.775 0.728 1.287 195 2H5* C 178 2H5* C 178 32.551 -0.777 0.795 196 H4* C 178 H4* C 178 31.615 0.222 -1.146 197 H3* C 178 H3* C 178 34.615 0.406 -1.012 198 H2* C 178 H2* C 178 34.644 1.350 -3.191 199 2HO* C 178 2HO* C 178 33.038 0.523 -4.391 200 H1* C 178 H1* C 178 32.595 3.184 -2.605 201 1H4 C 178 1H4 C 178 37.976 6.501 -1.716 202 2H4 C 178 2H4 C 178 38.156 5.771 -0.137 203 H5 C 178 H5 C 178 36.740 4.074 0.697 204 H6 C 178 H6 C 178 34.783 2.648 0.218 205 1H5* U 179 1H5* U 179 33.816 -1.877 -4.691 206 2H5* U 179 2H5* U 179 35.081 -3.093 -4.867 207 H4* U 179 H4* U 179 34.969 -1.604 -6.799 208 H3* U 179 H3* U 179 37.478 -1.584 -5.141 209 H2* U 179 H2* U 179 38.495 -0.124 -6.711 210 2HO* U 179 2HO* U 179 36.196 0.007 -8.322 211 H1* U 179 H1* U 179 36.275 1.593 -6.815 212 H3 U 179 H3 U 179 39.730 3.787 -4.719 213 H5 U 179 H5 U 179 37.785 1.621 -1.708 214 H6 U 179 H6 U 179 36.503 0.506 -3.476 215 1H5* U 180 1H5* U 180 38.534 -2.212 -8.885 216 2H5* U 180 2H5* U 180 39.714 -3.464 -9.273 217 H4* U 180 H4* U 180 40.559 -1.416 -10.114 218 H3* U 180 H3* U 180 41.972 -2.421 -7.671 219 H2* U 180 H2* U 180 43.471 -0.585 -7.729 220 2HO* U 180 2HO* U 180 42.711 0.863 -9.787 221 H1* U 180 H1* U 180 41.375 1.280 -8.161 222 H3 U 180 H3 U 180 42.835 2.510 -4.065 223 H5 U 180 H5 U 180 40.957 -1.169 -3.376 224 H6 U 180 H6 U 180 40.702 -1.382 -5.806 225 1H5* A 181 1H5* A 181 45.042 -4.377 -10.902 226 2H5* A 181 2H5* A 181 45.706 -5.590 -9.807 227 H4* A 181 H4* A 181 47.264 -3.731 -10.513 228 H3* A 181 H3* A 181 46.795 -4.451 -7.629 229 H2* A 181 H2* A 181 48.474 -2.900 -6.982 230 2HO* A 181 2HO* A 181 49.978 -2.376 -8.515 231 H1* A 181 H1* A 181 47.462 -0.850 -8.603 232 H8 A 181 H8 A 181 44.726 -2.867 -7.016 233 1H6 A 181 1H6 A 181 45.125 1.043 -2.167 234 2H6 A 181 2H6 A 181 44.190 -0.263 -2.862 235 H2 A 181 H2 A 181 48.509 1.890 -4.919 236 1H5* U 182 1H5* U 182 48.501 -8.965 -7.723 237 2H5* U 182 2H5* U 182 47.837 -8.065 -9.085 238 H4* U 182 H4* U 182 45.629 -8.081 -7.695 239 H3* U 182 H3* U 182 47.217 -10.236 -6.303 240 H2* U 182 H2* U 182 45.221 -11.468 -6.020 241 2HO* U 182 2HO* U 182 43.288 -10.024 -6.975 242 H1* U 182 H1* U 182 44.350 -10.823 -8.684 243 H3 U 182 H3 U 182 44.758 -15.419 -7.785 244 H5 U 182 H5 U 182 48.281 -14.143 -9.657 245 H6 U 182 H6 U 182 47.517 -11.840 -9.305 246 1H5* U 183 1H5* U 183 44.208 -8.602 -1.613 247 2H5* U 183 2H5* U 183 44.255 -9.736 -2.962 248 H4* U 183 H4* U 183 44.052 -7.319 -4.254 249 H3* U 183 H3* U 183 42.585 -7.079 -1.625 250 H2* U 183 H2* U 183 40.898 -5.853 -2.729 251 2HO* U 183 2HO* U 183 41.437 -4.887 -4.718 252 H1* U 183 H1* U 183 41.020 -7.603 -5.018 253 H3 U 183 H3 U 183 36.695 -8.126 -3.846 254 H5 U 183 H5 U 183 38.782 -9.816 -0.632 255 H6 U 183 H6 U 183 40.848 -9.012 -1.680 256 1H5* C 184 1H5* C 184 43.645 -3.931 1.153 257 2H5* C 184 2H5* C 184 44.826 -2.682 0.756 258 H4* C 184 H4* C 184 45.319 -5.464 1.804 259 H3* C 184 H3* C 184 45.796 -2.688 2.858 260 H2* C 184 H2* C 184 47.756 -3.366 3.895 261 2HO* C 184 2HO* C 184 46.838 -6.061 3.495 262 H1* C 184 H1* C 184 48.123 -5.464 1.827 263 1H4 C 184 1H4 C 184 53.575 -2.129 1.713 264 2H4 C 184 2H4 C 184 52.743 -0.839 0.874 265 H5 C 184 H5 C 184 50.416 -0.819 0.466 266 H6 C 184 H6 C 184 48.295 -2.046 0.764 267 1H5* G 185 1H5* G 185 45.052 -0.384 5.336 268 2H5* G 185 2H5* G 185 44.136 -1.127 6.646 269 H4* G 185 H4* G 185 43.152 0.555 4.361 270 H3* G 185 H3* G 185 43.039 0.727 7.357 271 H2* G 185 H2* G 185 40.993 1.941 7.215 272 2HO* G 185 2HO* G 185 40.294 2.368 4.908 273 H1* G 185 H1* G 185 39.817 0.093 5.487 274 H8 G 185 H8 G 185 42.130 -0.857 8.397 275 H1 G 185 H1 G 185 35.803 -1.675 9.479 276 1H2 G 185 1H2 G 185 34.733 -1.015 7.844 277 2H2 G 185 2H2 G 185 35.445 -0.340 6.396 278 1H5* G 186 1H5* G 186 45.924 4.903 6.209 279 2H5* G 186 2H5* G 186 47.390 4.031 6.652 280 H4* G 186 H4* G 186 45.519 5.547 8.475 281 H3* G 186 H3* G 186 48.312 6.027 7.485 282 H2* G 186 H2* G 186 48.869 7.086 9.545 283 2HO* G 186 2HO* G 186 46.644 6.773 10.984 284 H1* G 186 H1* G 186 47.858 4.994 11.091 285 H8 G 186 H8 G 186 49.329 3.130 8.375 286 H1 G 186 H1 G 186 53.900 5.809 12.092 287 1H2 G 186 1H2 G 186 53.047 7.233 13.315 288 2H2 G 186 2H2 G 186 51.345 7.640 13.332 289 1H5* G 187 1H5* G 187 47.429 9.763 4.429 290 2H5* G 187 2H5* G 187 46.413 8.571 3.620 291 H4* G 187 H4* G 187 49.315 9.116 3.338 292 H3* G 187 H3* G 187 47.011 8.523 1.525 293 H2* G 187 H2* G 187 48.473 7.594 -0.111 294 2HO* G 187 2HO* G 187 50.833 7.690 1.184 295 H1* G 187 H1* G 187 49.742 5.919 1.724 296 H8 G 187 H8 G 187 46.217 5.967 2.763 297 H1 G 187 H1 G 187 47.196 2.256 -2.446 298 1H2 G 187 1H2 G 187 49.081 2.612 -3.202 299 2H2 G 187 2H2 G 187 50.227 3.748 -2.524 300 1H5* G 188 1H5* G 188 50.002 9.583 -1.148 301 2H5* G 188 2H5* G 188 49.498 11.153 -1.771 302 H4* G 188 H4* G 188 50.096 9.999 -3.683 303 H3* G 188 H3* G 188 47.119 9.829 -3.304 304 H2* G 188 H2* G 188 46.931 8.664 -5.374 305 2HO* G 188 2HO* G 188 49.468 8.374 -6.130 306 H1* G 188 H1* G 188 48.942 6.837 -4.715 307 H8 G 188 H8 G 188 47.114 7.414 -1.581 308 H1 G 188 H1 G 188 43.874 3.554 -5.640 309 1H2 G 188 1H2 G 188 44.752 3.623 -7.505 310 2H2 G 188 2H2 G 188 46.156 4.584 -7.909 311 1H5* A 189 1H5* A 189 47.060 11.424 -7.701 312 2H5* A 189 2H5* A 189 45.717 12.532 -7.420 313 H4* A 189 H4* A 189 45.368 10.770 -9.192 314 H3* A 189 H3* A 189 43.434 11.169 -6.917 315 H2* A 189 H2* A 189 41.965 9.596 -7.922 316 2HO* A 189 2HO* A 189 42.484 8.935 -10.106 317 H1* A 189 H1* A 189 44.017 7.732 -8.394 318 H8 A 189 H8 A 189 44.379 9.419 -5.067 319 1H6 A 189 1H6 A 189 40.686 4.941 -2.773 320 2H6 A 189 2H6 A 189 41.718 6.285 -2.342 321 H2 A 189 H2 A 189 40.710 4.589 -7.202 322 1H5* G 190 1H5* G 190 41.395 11.260 -10.555 323 2H5* G 190 2H5* G 190 40.417 12.718 -10.733 324 H4* G 190 H4* G 190 38.989 10.980 -11.342 325 H3* G 190 H3* G 190 38.454 11.866 -8.520 326 H2* G 190 H2* G 190 36.620 10.350 -8.395 327 2HO* G 190 2HO* G 190 37.008 9.222 -10.900 328 H1* G 190 H1* G 190 38.116 8.193 -9.343 329 H8 G 190 H8 G 190 40.264 10.335 -7.172 330 H1 G 190 H1 G 190 36.531 6.225 -3.847 331 1H2 G 190 1H2 G 190 35.155 5.361 -5.118 332 2H2 G 190 2H2 G 190 35.031 5.701 -6.829 333 1H5* C 191 1H5* C 191 34.760 11.862 -10.603 334 2H5* C 191 2H5* C 191 33.755 13.242 -10.162 335 H4* C 191 H4* C 191 32.533 11.211 -9.779 336 H3* C 191 H3* C 191 33.350 12.727 -7.318 337 H2* C 191 H2* C 191 32.148 11.186 -5.964 338 2HO* C 191 2HO* C 191 31.404 9.656 -8.223 339 H1* C 191 H1* C 191 33.262 8.950 -7.275 340 1H4 C 191 1H4 C 191 36.811 9.689 -2.016 341 2H4 C 191 2H4 C 191 37.746 10.919 -2.836 342 H5 C 191 H5 C 191 37.235 11.741 -4.991 343 H6 C 191 H6 C 191 35.686 11.583 -6.908 344 1H5* G 192 1H5* G 192 29.356 11.777 -7.117 345 2H5* G 192 2H5* G 192 28.315 13.192 -6.956 346 H4* G 192 H4* G 192 27.478 11.720 -5.373 347 H3* G 192 H3* G 192 29.308 13.710 -4.065 348 H2* G 192 H2* G 192 28.820 12.763 -1.933 349 2HO* G 192 2HO* G 192 27.157 10.846 -3.240 350 H1* G 192 H1* G 192 29.333 10.156 -2.782 351 H8 G 192 H8 G 192 31.730 12.456 -4.462 352 H1 G 192 H1 G 192 33.474 10.905 1.575 353 1H2 G 192 1H2 G 192 31.913 9.940 2.516 354 2H2 G 192 2H2 G 192 30.363 9.601 1.779 355 1H5* G 193 1H5* G 193 25.849 13.530 -1.694 356 2H5* G 193 2H5* G 193 25.270 15.156 -1.334 357 H4* G 193 H4* G 193 25.496 14.007 0.728 358 H3* G 193 H3* G 193 27.614 16.083 0.249 359 H2* G 193 H2* G 193 28.492 15.690 2.430 360 2HO* G 193 2HO* G 193 27.221 14.373 3.844 361 H1* G 193 H1* G 193 28.590 12.926 2.083 362 H8 G 193 H8 G 193 29.442 14.561 -1.149 363 H1 G 193 H1 G 193 34.420 14.307 2.978 364 1H2 G 193 1H2 G 193 33.744 13.722 4.837 365 2H2 G 193 2H2 G 193 32.077 13.356 5.220 366 1H5* A 194 1H5* A 194 26.102 16.544 3.953 367 2H5* A 194 2H5* A 194 25.375 18.117 4.277 368 H4* A 194 H4* A 194 26.705 17.732 6.139 369 H3* A 194 H3* A 194 28.121 19.530 4.197 370 H2* A 194 H2* A 194 29.960 19.727 5.691 371 2HO* A 194 2HO* A 194 29.405 18.250 7.753 372 H1* A 194 H1* A 194 30.177 16.985 6.115 373 H8 A 194 H8 A 194 29.179 17.573 2.574 374 1H6 A 194 1H6 A 194 35.245 18.287 1.293 375 2H6 A 194 2H6 A 194 33.656 18.118 0.581 376 H2 A 194 H2 A 194 34.763 18.153 5.708 377 1H5* C 195 1H5* C 195 28.746 21.374 7.725 378 2H5* C 195 2H5* C 195 27.965 22.956 7.758 379 H4* C 195 H4* C 195 30.112 23.404 8.501 380 H3* C 195 H3* C 195 29.919 24.021 5.563 381 H2* C 195 H2* C 195 32.148 24.850 5.604 382 2HO* C 195 2HO* C 195 32.994 25.402 7.597 383 H1* C 195 H1* C 195 33.107 22.602 7.009 384 1H4 C 195 1H4 C 195 34.383 21.442 0.849 385 2H4 C 195 2H4 C 195 32.783 20.756 0.677 386 H5 C 195 H5 C 195 31.144 20.795 2.376 387 H6 C 195 H6 C 195 30.631 21.511 4.684 388 1H5* G 196 1H5* G 196 31.523 27.756 7.058 389 2H5* G 196 2H5* G 196 30.287 28.938 6.630 390 H4* G 196 H4* G 196 32.284 29.862 5.853 391 H3* G 196 H3* G 196 30.724 28.597 3.620 392 H2* G 196 H2* G 196 32.356 29.338 2.051 393 2HO* G 196 2HO* G 196 34.213 30.471 3.568 394 H1* G 196 H1* G 196 34.493 28.326 3.535 395 H8 G 196 H8 G 196 31.334 26.235 3.581 396 H1 G 196 H1 G 196 35.445 24.795 -1.205 397 1H2 G 196 1H2 G 196 36.973 26.181 -1.239 398 2H2 G 196 2H2 G 196 37.118 27.530 -0.137 399 1H5* A 197 1H5* A 197 28.767 33.538 4.003 400 2H5* A 197 2H5* A 197 27.290 32.699 4.474 401 H4* A 197 H4* A 197 26.517 34.072 2.810 402 H3* A 197 H3* A 197 27.279 31.476 1.460 403 H2* A 197 H2* A 197 26.472 32.331 -0.549 404 2HO* A 197 2HO* A 197 24.476 32.985 0.211 405 H1* A 197 H1* A 197 27.205 35.061 0.290 406 H8 A 197 H8 A 197 28.478 31.790 -1.197 407 1H6 A 197 1H6 A 197 31.781 35.379 -5.091 408 2H6 A 197 2H6 A 197 31.340 33.729 -4.714 409 H2 A 197 H2 A 197 29.771 38.018 -2.134 410 1H5* U 198 1H5* U 198 22.816 30.801 5.072 411 2H5* U 198 2H5* U 198 24.215 29.738 5.226 412 H4* U 198 H4* U 198 22.526 28.379 3.477 413 H3* U 198 H3* U 198 20.882 29.875 5.503 414 H2* U 198 H2* U 198 19.588 27.982 5.913 415 2HO* U 198 2HO* U 198 19.272 27.644 3.658 416 H1* U 198 H1* U 198 21.909 26.246 5.393 417 H3 U 198 H3 U 198 21.887 24.441 9.480 418 H5 U 198 H5 U 198 20.079 28.161 10.141 419 H6 U 198 H6 U 198 20.472 28.662 7.773 420 1H5* G 199 1H5* G 199 19.715 32.575 0.298 421 2H5* G 199 2H5* G 199 19.476 33.240 1.913 422 H4* G 199 H4* G 199 17.411 33.474 0.832 423 H3* G 199 H3* G 199 17.416 31.143 2.728 424 H2* G 199 H2* G 199 15.104 30.782 2.282 425 2HO* G 199 2HO* G 199 14.156 32.697 1.898 426 H1* G 199 H1* G 199 15.450 30.857 -0.487 427 H8 G 199 H8 G 199 18.434 29.143 0.805 428 H1 G 199 H1 G 199 13.210 25.322 0.794 429 1H2 G 199 1H2 G 199 11.525 26.461 0.461 430 2H2 G 199 2H2 G 199 11.526 28.194 0.221 431 1H5* A 200 1H5* A 200 16.223 34.261 6.678 432 2H5* A 200 2H5* A 200 17.905 33.931 7.091 433 H4* A 200 H4* A 200 16.088 33.117 8.696 434 H3* A 200 H3* A 200 18.360 31.403 7.712 435 H2* A 200 H2* A 200 17.659 29.670 9.177 436 2HO* A 200 2HO* A 200 15.457 31.088 10.155 437 H1* A 200 H1* A 200 14.964 29.880 8.420 438 H8 A 200 H8 A 200 17.272 30.299 5.497 439 1H6 A 200 1H6 A 200 17.081 24.091 4.887 440 2H6 A 200 2H6 A 200 17.622 25.574 4.132 441 H2 A 200 H2 A 200 15.076 25.175 8.701 442 1H5* C 201 1H5* C 201 20.272 31.323 12.267 443 2H5* C 201 2H5* C 201 20.447 29.586 12.016 444 H4* C 201 H4* C 201 17.983 31.224 12.398 445 H3* C 201 H3* C 201 19.087 28.662 13.515 446 H2* C 201 H2* C 201 16.919 27.879 13.955 447 2HO* C 201 2HO* C 201 15.753 29.539 14.731 448 H1* C 201 H1* C 201 15.947 29.078 11.480 449 1H4 C 201 1H4 C 201 15.347 22.794 10.538 450 2H4 C 201 2H4 C 201 17.083 22.660 10.364 451 H5 C 201 H5 C 201 18.581 24.455 10.695 452 H6 C 201 H6 C 201 18.785 26.845 11.282 453 1H5* C 202 1H5* C 202 16.969 30.454 17.200 454 2H5* C 202 2H5* C 202 17.779 29.663 18.551 455 H4* C 202 H4* C 202 15.327 29.183 18.320 456 H3* C 202 H3* C 202 17.339 26.932 18.380 457 H2* C 202 H2* C 202 15.541 25.401 18.527 458 2HO* C 202 2HO* C 202 13.783 27.661 18.651 459 H1* C 202 H1* C 202 14.030 26.824 16.558 460 1H4 C 202 1H4 C 202 16.356 21.608 13.655 461 2H4 C 202 2H4 C 202 17.787 22.529 13.245 462 H5 C 202 H5 C 202 18.213 24.716 14.027 463 H6 C 202 H6 C 202 17.362 26.578 15.409 464 1H5* C 203 1H5* C 203 15.110 26.528 22.451 465 2H5* C 203 2H5* C 203 16.210 25.542 23.416 466 H4* C 203 H4* C 203 13.909 24.585 22.974 467 H3* C 203 H3* C 203 16.442 23.059 22.409 468 H2* C 203 H2* C 203 15.145 21.141 21.880 469 2HO* C 203 2HO* C 203 12.749 21.463 22.258 470 H1* C 203 H1* C 203 13.377 22.579 20.238 471 1H4 C 203 1H4 C 203 17.761 20.040 16.320 472 2H4 C 203 2H4 C 203 18.712 21.498 16.506 473 H5 C 203 H5 C 203 18.172 23.238 18.009 474 H6 C 203 H6 C 203 16.572 24.015 19.722 475 1H5* U 204 1H5* U 204 13.961 20.928 24.721 476 2H5* U 204 2H5* U 204 14.584 20.146 26.173 477 H4* U 204 H4* U 204 13.413 18.503 24.926 478 H3* U 204 H3* U 204 16.401 18.201 24.832 479 H2* U 204 H2* U 204 16.159 16.180 23.595 480 2HO* U 204 2HO* U 204 13.637 15.816 23.198 481 H1* U 204 H1* U 204 14.407 17.310 21.743 482 H3 U 204 H3 U 204 18.500 16.633 19.742 483 H5 U 204 H5 U 204 18.698 20.442 21.470 484 H6 U 204 H6 U 204 16.575 19.937 22.589 485 1H5* A 205 1H5* A 205 15.565 15.164 28.370 486 2H5* A 205 2H5* A 205 17.185 15.003 29.047 487 H4* A 205 H4* A 205 16.296 13.078 27.634 488 H3* A 205 H3* A 205 19.001 14.336 27.224 489 H2* A 205 H2* A 205 19.502 12.679 25.599 490 2HO* A 205 2HO* A 205 18.170 10.829 25.546 491 H1* A 205 H1* A 205 17.045 12.978 24.277 492 H8 A 205 H8 A 205 18.133 16.363 25.245 493 1H6 A 205 1H6 A 205 21.782 16.402 20.182 494 2H6 A 205 2H6 A 205 21.121 17.396 21.461 495 H2 A 205 H2 A 205 20.277 12.264 20.779 496 1H5* G 206 1H5* G 206 21.456 12.272 25.741 497 2H5* G 206 2H5* G 206 22.382 11.637 27.101 498 H4* G 206 H4* G 206 22.611 14.399 25.887 499 H3* G 206 H3* G 206 24.219 11.907 25.586 500 H2* G 206 H2* G 206 26.271 13.117 25.649 501 2HO* G 206 2HO* G 206 25.609 15.602 26.112 502 H1* G 206 H1* G 206 25.601 14.473 27.992 503 H8 G 206 H8 G 206 24.641 10.814 27.377 504 H1 G 206 H1 G 206 29.855 11.736 31.099 505 1H2 G 206 1H2 G 206 30.280 13.751 31.203 506 2H2 G 206 2H2 G 206 29.359 15.004 30.401 507 1H5* U 207 1H5* U 207 23.936 13.962 20.747 508 2H5* U 207 2H5* U 207 25.556 13.573 20.167 509 H4* U 207 H4* U 207 24.682 15.928 19.743 510 H3* U 207 H3* U 207 27.379 15.333 20.936 511 H2* U 207 H2* U 207 27.900 17.650 20.888 512 2HO* U 207 2HO* U 207 26.939 18.668 19.231 513 H1* U 207 H1* U 207 25.468 18.415 22.040 514 H3 U 207 H3 U 207 28.130 19.162 25.581 515 H5 U 207 H5 U 207 28.319 15.003 25.130 516 H6 U 207 H6 U 207 26.978 15.262 23.094 517 1H5* A 208 1H5* A 208 30.284 16.576 16.598 518 2H5* A 208 2H5* A 208 29.181 16.936 15.271 519 H4* A 208 H4* A 208 30.670 15.207 14.570 520 H3* A 208 H3* A 208 27.821 14.413 14.981 521 H2* A 208 H2* A 208 28.281 12.154 14.402 522 2HO* A 208 2HO* A 208 29.786 12.516 12.788 523 H1* A 208 H1* A 208 30.474 11.967 16.130 524 H8 A 208 H8 A 208 27.257 13.857 17.009 525 1H6 A 208 1H6 A 208 25.814 8.821 20.402 526 2H6 A 208 2H6 A 208 25.289 10.430 19.960 527 H2 A 208 H2 A 208 29.647 8.029 18.298 528 1H5* G 209 1H5* G 209 27.743 13.619 11.339 529 2H5* G 209 2H5* G 209 26.234 13.908 10.474 530 H4* G 209 H4* G 209 26.317 11.736 11.666 531 H3* G 209 H3* G 209 24.167 13.739 12.287 532 H2* G 209 H2* G 209 23.131 12.175 13.754 533 2HO* G 209 2HO* G 209 24.041 10.004 13.754 534 H1* G 209 H1* G 209 25.513 11.616 15.105 535 H8 G 209 H8 G 209 25.437 15.237 14.252 536 H1 G 209 H1 G 209 21.997 13.788 19.539 537 1H2 G 209 1H2 G 209 21.812 11.741 19.699 538 2H2 G 209 2H2 G 209 22.487 10.588 18.570 539 1H5* A 210 1H5* A 210 22.089 9.772 12.146 540 2H5* A 210 2H5* A 210 20.728 10.168 11.096 541 H4* A 210 H4* A 210 19.978 9.192 13.196 542 H3* A 210 H3* A 210 19.221 12.057 12.659 543 H2* A 210 H2* A 210 17.856 12.035 14.603 544 2HO* A 210 2HO* A 210 17.043 10.075 15.085 545 H1* A 210 H1* A 210 19.849 10.838 16.189 546 H8 A 210 H8 A 210 21.294 13.397 13.875 547 1H6 A 210 1H6 A 210 20.042 17.626 18.290 548 2H6 A 210 2H6 A 210 20.856 17.370 16.763 549 H2 A 210 H2 A 210 18.138 13.787 19.463 550 1H5* G 211 1H5* G 211 15.183 9.800 13.160 551 2H5* G 211 2H5* G 211 14.165 10.707 12.041 552 H4* G 211 H4* G 211 13.311 10.564 14.389 553 H3* G 211 H3* G 211 13.724 13.204 13.015 554 H2* G 211 H2* G 211 12.766 14.324 14.887 555 2HO* G 211 2HO* G 211 12.455 12.026 16.427 556 H1* G 211 H1* G 211 14.384 12.989 16.729 557 H8 G 211 H8 G 211 16.545 13.568 13.812 558 H1 G 211 H1 G 211 15.663 18.932 17.325 559 1H2 G 211 1H2 G 211 14.131 18.630 18.672 560 2H2 G 211 2H2 G 211 13.222 17.143 18.827 561 1H5* G 212 1H5* G 212 9.126 13.266 14.186 562 2H5* G 212 2H5* G 212 8.544 14.109 12.751 563 H4* G 212 H4* G 212 7.911 15.152 14.936 564 H3* G 212 H3* G 212 9.362 16.698 12.805 565 H2* G 212 H2* G 212 9.175 18.677 14.119 566 2HO* G 212 2HO* G 212 7.648 18.677 15.743 567 H1* G 212 H1* G 212 10.159 17.448 16.422 568 H8 G 212 H8 G 212 12.073 15.991 13.634 569 H1 G 212 H1 G 212 14.077 21.950 15.167 570 1H2 G 212 1H2 G 212 12.709 22.833 16.433 571 2H2 G 212 2H2 G 212 11.238 22.071 16.994 572 1H5* G 213 1H5* G 213 5.959 18.991 13.848 573 2H5* G 213 2H5* G 213 4.973 19.260 12.410 574 H4* G 213 H4* G 213 5.182 21.348 13.493 575 H3* G 213 H3* G 213 6.807 21.094 10.996 576 H2* G 213 H2* G 213 7.625 23.319 11.234 577 2HO* G 213 2HO* G 213 5.648 24.125 12.070 578 H1* G 213 H1* G 213 8.369 22.920 13.909 579 H8 G 213 H8 G 213 9.123 19.840 11.968 580 H1 G 213 H1 G 213 13.628 24.438 11.302 581 1H2 G 213 1H2 G 213 12.934 26.205 12.106 582 2H2 G 213 2H2 G 213 11.364 26.410 12.850 583 1H5* G 214 1H5* G 214 6.813 24.974 10.086 584 2H5* G 214 2H5* G 214 5.639 24.958 8.770 585 H4* G 214 H4* G 214 7.705 25.845 7.952 586 H3* G 214 H3* G 214 6.980 23.120 6.918 587 H2* G 214 H2* G 214 8.873 23.165 5.473 588 2HO* G 214 2HO* G 214 10.126 25.382 5.953 589 H1* G 214 H1* G 214 10.631 23.898 7.511 590 H8 G 214 H8 G 214 7.887 21.520 8.569 591 H1 G 214 H1 G 214 13.232 18.626 6.347 592 1H2 G 214 1H2 G 214 14.510 20.044 5.568 593 2H2 G 214 2H2 G 214 14.184 21.762 5.525 594 1H5* G 215 1H5* G 215 8.265 24.770 3.583 595 2H5* G 215 2H5* G 215 6.934 24.901 2.433 596 H4* G 215 H4* G 215 8.557 23.837 1.191 597 H3* G 215 H3* G 215 6.738 21.745 2.364 598 H2* G 215 H2* G 215 7.923 20.073 1.151 599 2HO* G 215 2HO* G 215 8.163 21.592 -0.643 600 H1* G 215 H1* G 215 10.427 21.036 1.987 601 H8 G 215 H8 G 215 7.674 21.075 4.585 602 H1 G 215 H1 G 215 11.119 15.600 4.400 603 1H2 G 215 1H2 G 215 12.389 15.639 2.777 604 2H2 G 215 2H2 G 215 12.503 16.959 1.634 605 1H5* C 216 1H5* C 216 4.961 21.993 -1.849 606 2H5* C 216 2H5* C 216 3.412 21.159 -1.739 607 H4* C 216 H4* C 216 5.418 19.853 -2.632 608 H3* C 216 H3* C 216 3.623 18.797 -0.441 609 H2* C 216 H2* C 216 4.727 16.719 -0.623 610 2HO* C 216 2HO* C 216 6.335 17.581 -2.768 611 H1* C 216 H1* C 216 7.286 17.996 -0.931 612 1H4 C 216 1H4 C 216 7.215 15.505 4.966 613 2H4 C 216 2H4 C 216 6.455 16.973 5.536 614 H5 C 216 H5 C 216 5.724 18.712 4.115 615 H6 C 216 H6 C 216 5.539 19.476 1.774 616 1H5* U 217 1H5* U 217 1.726 15.531 -3.504 617 2H5* U 217 2H5* U 217 0.784 14.924 -2.144 618 H4* U 217 H4* U 217 2.934 13.673 -3.245 619 H3* U 217 H3* U 217 1.659 13.441 -0.532 620 H2* U 217 H2* U 217 3.300 11.833 0.093 621 2HO* U 217 2HO* U 217 4.510 10.892 -1.562 622 H1* U 217 H1* U 217 5.437 13.401 -0.731 623 H3 U 217 H3 U 217 5.370 13.509 3.846 624 H5 U 217 H5 U 217 2.693 16.499 2.646 625 H6 U 217 H6 U 217 2.924 15.648 0.357 626 1H5* G 218 1H5* G 218 -1.584 9.523 -1.224 627 2H5* G 218 2H5* G 218 0.026 10.033 -0.719 628 H4* G 218 H4* G 218 -0.710 7.714 -2.147 629 H3* G 218 H3* G 218 1.915 8.897 -1.253 630 H2* G 218 H2* G 218 3.052 7.170 -2.409 631 2HO* G 218 2HO* G 218 1.851 5.325 -2.978 632 H1* G 218 H1* G 218 1.339 7.432 -4.683 633 H8 G 218 H8 G 218 2.413 10.801 -3.725 634 H1 G 218 H1 G 218 7.063 7.559 -6.847 635 1H2 G 218 1H2 G 218 6.552 5.565 -6.965 636 2H2 G 218 2H2 G 218 5.082 4.874 -6.316 637 1H5* C 219 1H5* C 219 3.168 5.030 2.411 638 2H5* C 219 2H5* C 219 1.711 4.825 3.382 639 H4* C 219 H4* C 219 3.726 6.605 3.883 640 H3* C 219 H3* C 219 1.087 6.096 4.975 641 H2* C 219 H2* C 219 0.366 8.260 4.562 642 2HO* C 219 2HO* C 219 1.587 9.546 6.377 643 H1* C 219 H1* C 219 3.277 9.190 4.579 644 1H4 C 219 1H4 C 219 0.113 14.295 2.273 645 2H4 C 219 2H4 C 219 0.224 13.542 0.698 646 H5 C 219 H5 C 219 1.027 11.351 0.340 647 H6 C 219 H6 C 219 1.932 9.321 1.416 648 1H5* G 220 1H5* G 220 5.859 5.285 6.802 649 2H5* G 220 2H5* G 220 5.050 6.261 5.576 650 H4* G 220 H4* G 220 6.412 3.602 5.083 651 H3* G 220 H3* G 220 7.389 6.428 4.770 652 H2* G 220 H2* G 220 8.470 5.883 2.781 653 2HO* G 220 2HO* G 220 9.569 4.056 3.226 654 H1* G 220 H1* G 220 6.389 3.862 2.208 655 H8 G 220 H8 G 220 6.228 4.402 -0.240 656 H1 G 220 H1 G 220 5.952 10.777 0.842 657 1H2 G 220 1H2 G 220 6.173 11.142 2.860 658 2H2 G 220 2H2 G 220 6.399 9.907 4.077 659 1H5* G 221 1H5* G 221 10.649 4.920 4.916 660 2H5* G 221 2H5* G 221 12.047 5.676 5.680 661 H4* G 221 H4* G 221 11.686 6.081 3.188 662 H3* G 221 H3* G 221 12.223 8.276 5.178 663 H2* G 221 H2* G 221 12.352 9.834 3.389 664 2HO* G 221 2HO* G 221 12.496 8.969 1.256 665 H1* G 221 H1* G 221 9.992 8.897 2.187 666 H8 G 221 H8 G 221 10.154 9.169 5.981 667 H1 G 221 H1 G 221 7.681 14.340 2.975 668 1H2 G 221 1H2 G 221 7.865 14.104 0.935 669 2H2 G 221 2H2 G 221 8.584 12.712 0.155 670 1H5* C 222 1H5* C 222 16.227 7.851 3.385 671 2H5* C 222 2H5* C 222 17.453 8.479 4.487 672 H4* C 222 H4* C 222 16.752 10.040 2.659 673 H3* C 222 H3* C 222 16.495 10.889 5.549 674 H2* C 222 H2* C 222 15.978 13.057 4.809 675 2HO* C 222 2HO* C 222 16.407 12.500 2.100 676 H1* C 222 H1* C 222 14.464 12.000 2.566 677 1H4 C 222 1H4 C 222 10.148 14.725 6.418 678 2H4 C 222 2H4 C 222 10.171 13.290 7.418 679 H5 C 222 H5 C 222 11.658 11.484 7.093 680 H6 C 222 H6 C 222 13.506 10.602 5.713 681 1H5* U 223 1H5* U 223 20.171 13.342 4.434 682 2H5* U 223 2H5* U 223 20.586 14.161 5.939 683 H4* U 223 H4* U 223 19.288 15.379 3.982 684 H3* U 223 H3* U 223 18.872 15.750 6.953 685 H2* U 223 H2* U 223 17.377 17.504 6.468 686 2HO* U 223 2HO* U 223 18.341 18.622 4.857 687 H1* U 223 H1* U 223 16.216 16.104 4.262 688 H3 U 223 H3 U 223 12.928 16.920 7.377 689 H5 U 223 H5 U 223 14.843 13.420 8.647 690 H6 U 223 H6 U 223 16.545 13.847 6.934 691 1H5* U 224 1H5* U 224 20.769 15.906 1.855 692 2H5* U 224 2H5* U 224 20.674 17.628 1.482 693 H4* U 224 H4* U 224 18.922 15.584 0.680 694 H3* U 224 H3* U 224 18.839 18.597 0.431 695 H2* U 224 H2* U 224 16.760 18.377 -0.668 696 2HO* U 224 2HO* U 224 16.177 16.138 -1.302 697 H1* U 224 H1* U 224 15.892 16.338 1.152 698 H3 U 224 H3 U 224 12.859 19.713 1.615 699 H5 U 224 H5 U 224 16.232 21.029 3.720 700 H6 U 224 H6 U 224 17.435 19.100 2.802 701 1H5* A 225 1H5* A 225 19.954 17.906 -4.114 702 2H5* A 225 2H5* A 225 19.786 19.578 -4.647 703 H4* A 225 H4* A 225 17.852 17.763 -4.918 704 H3* A 225 H3* A 225 17.576 20.729 -4.417 705 H2* A 225 H2* A 225 15.233 20.493 -4.665 706 2HO* A 225 2HO* A 225 14.471 18.512 -5.602 707 H1* A 225 H1* A 225 15.158 18.141 -3.080 708 H8 A 225 H8 A 225 17.333 20.767 -1.567 709 1H6 A 225 1H6 A 225 12.190 23.039 1.139 710 2H6 A 225 2H6 A 225 13.934 23.152 1.093 711 H2 A 225 H2 A 225 10.962 19.942 -1.801 712 1H5* G 226 1H5* G 226 15.660 19.639 -8.268 713 2H5* G 226 2H5* G 226 15.247 21.066 -9.218 714 H4* G 226 H4* G 226 13.311 19.680 -8.393 715 H3* G 226 H3* G 226 13.510 22.639 -7.890 716 H2* G 226 H2* G 226 11.333 22.608 -6.923 717 2HO* G 226 2HO* G 226 10.143 21.100 -7.937 718 H1* G 226 H1* G 226 11.925 20.440 -5.257 719 H8 G 226 H8 G 226 14.972 22.518 -5.384 720 H1 G 226 H1 G 226 10.446 24.973 -1.464 721 1H2 G 226 1H2 G 226 8.662 23.982 -1.766 722 2H2 G 226 2H2 G 226 8.428 22.679 -2.911 723 1H5* G 227 1H5* G 227 12.944 24.589 -8.059 724 2H5* G 227 2H5* G 227 12.532 25.927 -9.131 725 H4* G 227 H4* G 227 14.786 26.162 -8.247 726 H3* G 227 H3* G 227 14.462 25.769 -11.204 727 H2* G 227 H2* G 227 16.811 26.034 -11.511 728 2HO* G 227 2HO* G 227 17.702 27.309 -9.999 729 H1* G 227 H1* G 227 17.450 24.178 -9.525 730 H8 G 227 H8 G 227 14.457 22.836 -11.195 731 H1 G 227 H1 G 227 19.836 21.967 -14.688 732 1H2 G 227 1H2 G 227 21.366 23.096 -13.889 733 2H2 G 227 2H2 G 227 21.214 24.124 -12.482 734 1H5* A 228 1H5* A 228 16.677 29.531 -10.675 735 2H5* A 228 2H5* A 228 16.155 30.688 -11.899 736 H4* A 228 H4* A 228 18.549 30.364 -12.007 737 H3* A 228 H3* A 228 16.941 29.384 -14.350 738 H2* A 228 H2* A 228 18.955 28.847 -15.501 739 2HO* A 228 2HO* A 228 20.772 29.902 -14.837 740 H1* A 228 H1* A 228 20.028 27.451 -13.335 741 H8 A 228 H8 A 228 16.364 26.817 -13.462 742 1H6 A 228 1H6 A 228 17.578 22.293 -17.585 743 2H6 A 228 2H6 A 228 16.333 22.997 -16.579 744 H2 A 228 H2 A 228 21.304 24.631 -16.949 745 1H5* G 229 1H5* G 229 20.197 32.246 -16.221 746 2H5* G 229 2H5* G 229 19.108 33.110 -17.305 747 H4* G 229 H4* G 229 21.085 32.246 -18.465 748 H3* G 229 H3* G 229 18.370 31.253 -19.275 749 H2* G 229 H2* G 229 19.348 29.998 -21.048 750 2HO* G 229 2HO* G 229 21.947 30.788 -20.247 751 H1* G 229 H1* G 229 21.257 28.818 -19.388 752 H8 G 229 H8 G 229 18.202 29.045 -17.348 753 H1 G 229 H1 G 229 17.946 24.218 -21.652 754 1H2 G 229 1H2 G 229 19.487 24.421 -23.006 755 2H2 G 229 2H2 G 229 20.672 25.706 -22.980 756 1H5* G 230 1H5* G 230 20.435 32.691 -22.930 757 2H5* G 230 2H5* G 230 19.231 33.579 -23.863 758 H4* G 230 H4* G 230 20.319 31.891 -25.227 759 H3* G 230 H3* G 230 17.388 31.550 -24.669 760 H2* G 230 H2* G 230 17.329 29.656 -26.113 761 2HO* G 230 2HO* G 230 19.921 29.411 -26.783 762 H1* G 230 H1* G 230 19.531 28.446 -24.902 763 H8 G 230 H8 G 230 17.675 30.065 -22.164 764 H1 G 230 H1 G 230 14.887 24.566 -24.131 765 1H2 G 230 1H2 G 230 15.742 23.957 -25.906 766 2H2 G 230 2H2 G 230 17.024 24.808 -26.737 767 1H5* G 231 1H5* G 231 17.797 31.344 -29.032 768 2H5* G 231 2H5* G 231 16.618 32.484 -29.678 769 H4* G 231 H4* G 231 16.326 30.417 -30.814 770 H3* G 231 H3* G 231 14.150 31.084 -28.858 771 H2* G 231 H2* G 231 12.953 29.125 -29.498 772 2HO* G 231 2HO* G 231 13.959 27.886 -31.297 773 H1* G 231 H1* G 231 15.167 27.458 -29.188 774 H8 G 231 H8 G 231 15.323 30.037 -26.526 775 H1 G 231 H1 G 231 11.185 25.247 -25.173 776 1H2 G 231 1H2 G 231 10.895 24.092 -26.856 777 2H2 G 231 2H2 G 231 11.660 24.378 -28.404 778 1H5* C 232 1H5* C 232 12.392 30.149 -32.421 779 2H5* C 232 2H5* C 232 11.121 31.234 -32.981 780 H4* C 232 H4* C 232 10.186 29.069 -32.938 781 H3* C 232 H3* C 232 9.259 30.798 -30.663 782 H2* C 232 H2* C 232 7.801 29.072 -29.930 783 2HO* C 232 2HO* C 232 7.275 27.480 -31.409 784 H1* C 232 H1* C 232 9.816 27.097 -30.152 785 1H4 C 232 1H4 C 232 9.698 28.628 -23.951 786 2H4 C 232 2H4 C 232 10.699 30.022 -24.291 787 H5 C 232 H5 C 232 11.320 30.695 -26.468 788 H6 C 232 H6 C 232 11.133 30.191 -28.878 789 1H5* A 233 1H5* A 233 5.949 29.131 -32.584 790 2H5* A 233 2H5* A 233 4.749 30.329 -33.066 791 H4* A 233 H4* A 233 3.518 28.674 -31.980 792 H3* A 233 H3* A 233 4.015 31.012 -30.160 793 H2* A 233 H2* A 233 2.701 29.982 -28.467 794 2HO* A 233 2HO* A 233 1.458 28.131 -29.091 795 H1* A 233 H1* A 233 4.008 27.526 -28.682 796 H8 A 233 H8 A 233 6.416 30.351 -29.162 797 1H6 A 233 1H6 A 233 7.083 30.405 -22.957 798 2H6 A 233 2H6 A 233 7.711 31.052 -24.456 799 H2 A 233 H2 A 233 3.723 27.681 -23.970 800 1H5* G 234 1H5* G 234 -0.270 30.352 -30.013 801 2H5* G 234 2H5* G 234 -1.020 31.880 -30.474 802 H4* G 234 H4* G 234 -2.125 31.241 -28.520 803 H3* G 234 H3* G 234 -0.050 33.339 -27.961 804 H2* G 234 H2* G 234 -0.731 33.404 -25.678 805 2HO* G 234 2HO* G 234 -2.585 31.358 -25.848 806 H1* G 234 H1* G 234 -0.600 30.632 -25.381 807 H8 G 234 H8 G 234 2.139 31.855 -27.622 808 H1 G 234 H1 G 234 3.532 32.321 -21.319 809 1H2 G 234 1H2 G 234 1.837 31.936 -20.209 810 2H2 G 234 2H2 G 234 0.272 31.545 -20.885 811 1H GLY 15 1H GLY 15 2.305 -1.757 0.000 812 1HA GLY 15 1HA GLY 15 4.516 -2.525 -1.780 813 2HA GLY 15 2HA GLY 15 3.107 -1.730 -2.465 814 H ARG 16 H ARG 16 6.161 -1.237 -1.310 815 HA ARG 16 HA ARG 16 5.657 1.435 -0.256 816 1HB ARG 16 2HB ARG 16 8.230 -0.125 -0.561 817 2HB ARG 16 3HB ARG 16 8.094 1.458 0.191 818 1HG ARG 16 2HG ARG 16 7.113 0.635 2.078 819 2HG ARG 16 3HG ARG 16 6.392 -0.738 1.236 820 1HD ARG 16 2HD ARG 16 9.359 -0.484 1.630 821 2HD ARG 16 3HD ARG 16 8.315 -1.218 2.847 822 HE ARG 16 HE ARG 16 7.870 -2.384 0.301 823 1HH1 ARG 16 2HH1 ARG 16 10.128 -2.327 2.950 824 2HH1 ARG 16 1HH1 ARG 16 10.720 -3.928 2.651 825 1HH2 ARG 16 2HH2 ARG 16 8.640 -4.493 -0.103 826 2HH2 ARG 16 1HH2 ARG 16 9.873 -5.158 0.914 827 H ALA 17 H ALA 17 7.676 -0.041 -2.800 828 HA ALA 17 HA ALA 17 8.383 0.733 -4.820 829 1HB ALA 17 1HB ALA 17 6.573 1.347 -5.945 830 2HB ALA 17 2HB ALA 17 5.767 1.846 -4.459 831 3HB ALA 17 3HB ALA 17 6.790 2.986 -5.333 832 H ARG 18 H ARG 18 9.117 2.051 -2.118 833 HA ARG 18 HA ARG 18 9.717 4.724 -2.399 834 1HB ARG 18 2HB ARG 18 10.096 3.099 -0.405 835 2HB ARG 18 3HB ARG 18 11.682 2.848 -1.122 836 1HG ARG 18 2HG ARG 18 10.643 5.587 -0.471 837 2HG ARG 18 3HG ARG 18 11.497 4.591 0.711 838 1HD ARG 18 2HD ARG 18 13.060 4.487 -1.598 839 2HD ARG 18 3HD ARG 18 12.543 6.169 -1.468 840 HE ARG 18 HE ARG 18 13.888 6.404 0.369 841 1HH1 ARG 18 2HH1 ARG 18 13.456 3.016 -0.305 842 2HH1 ARG 18 1HH1 ARG 18 14.632 2.502 0.859 843 1HH2 ARG 18 2HH2 ARG 18 15.439 5.739 1.904 844 2HH2 ARG 18 1HH2 ARG 18 15.758 4.051 2.115 845 H GLY 19 H GLY 19 11.097 5.895 -3.586 846 1HA GLY 19 1HA GLY 19 13.267 6.226 -4.580 847 2HA GLY 19 2HA GLY 19 13.323 4.503 -4.922 848 H LEU 20 H LEU 20 10.516 4.518 -5.880 849 HA LEU 20 HA LEU 20 11.107 5.424 -8.588 850 1HB LEU 20 2HB LEU 20 9.246 3.475 -7.354 851 2HB LEU 20 3HB LEU 20 8.728 4.243 -8.853 852 HG LEU 20 HG LEU 20 11.435 3.196 -9.028 853 1HD1 LEU 20 1HD1 LEU 20 9.310 1.102 -8.790 854 2HD1 LEU 20 2HD1 LEU 20 10.233 1.618 -7.379 855 3HD1 LEU 20 3HD1 LEU 20 11.065 0.923 -8.769 856 1HD2 LEU 20 1HD2 LEU 20 10.117 1.951 -10.944 857 2HD2 LEU 20 2HD2 LEU 20 10.517 3.663 -11.067 858 3HD2 LEU 20 3HD2 LEU 20 8.897 3.170 -10.577 859 H CYS 21 H CYS 21 10.538 7.496 -9.150 860 HA CYS 21 HA CYS 21 8.606 8.894 -7.638 861 1HB CYS 21 2HB CYS 21 10.566 9.957 -8.764 862 2HB CYS 21 3HB CYS 21 9.819 9.643 -10.318 863 H TYR 22 H TYR 22 6.544 9.538 -8.330 864 HA TYR 22 HA TYR 22 5.351 7.870 -10.444 865 1HB TYR 22 2HB TYR 22 4.194 7.214 -8.567 866 2HB TYR 22 3HB TYR 22 4.364 8.781 -7.781 867 HD1 TYR 22 HD1 TYR 22 2.714 7.304 -10.798 868 HD2 TYR 22 HD2 TYR 22 2.463 10.066 -7.571 869 HE1 TYR 22 HE1 TYR 22 0.424 7.887 -11.482 870 HE2 TYR 22 HE2 TYR 22 0.173 10.656 -8.246 871 HH TYR 22 HH TYR 22 -1.144 10.554 -10.568 872 H THR 23 H THR 23 5.865 11.087 -9.299 873 HA THR 23 HA THR 23 3.828 12.416 -10.736 874 HB THR 23 HB THR 23 6.521 13.457 -9.834 875 HG1 THR 23 HG1 THR 23 3.985 13.881 -8.627 876 1HG2 THR 23 1HG2 THR 23 5.127 15.662 -9.892 877 2HG2 THR 23 2HG2 THR 23 4.137 14.786 -11.059 878 3HG2 THR 23 3HG2 THR 23 5.852 15.047 -11.377 879 H CYS 24 H CYS 24 7.231 11.541 -11.588 880 HA CYS 24 HA CYS 24 6.610 12.495 -14.287 881 1HB CYS 24 2HB CYS 24 9.017 12.746 -14.637 882 2HB CYS 24 3HB CYS 24 8.484 13.698 -13.266 883 H GLY 25 H GLY 25 7.925 9.945 -12.242 884 1HA GLY 25 1HA GLY 25 7.518 7.630 -12.680 885 2HA GLY 25 2HA GLY 25 7.446 8.001 -14.396 886 H SER 26 H SER 26 9.922 9.044 -12.104 887 HA SER 26 HA SER 26 11.850 7.297 -13.483 888 1HB SER 26 2HB SER 26 11.839 10.221 -13.261 889 2HB SER 26 3HB SER 26 13.358 9.484 -12.751 890 HG SER 26 HG SER 26 13.175 8.277 -14.821 891 HA PRO 27 HA PRO 27 12.754 6.029 -9.335 892 1HB PRO 27 2HB PRO 27 14.938 4.528 -9.924 893 2HB PRO 27 3HB PRO 27 13.287 3.989 -10.251 894 1HG PRO 27 2HG PRO 27 15.288 5.203 -12.117 895 2HG PRO 27 3HG PRO 27 14.194 3.834 -12.386 896 1HD PRO 27 2HD PRO 27 13.671 6.321 -13.320 897 2HD PRO 27 3HD PRO 27 12.389 5.199 -12.821 898 H GLY 28 H GLY 28 14.673 6.011 -7.852 899 1HA GLY 28 1HA GLY 28 16.768 6.864 -7.166 900 2HA GLY 28 2HA GLY 28 16.774 7.914 -8.575 901 H HIS 29 H HIS 29 13.859 8.560 -7.799 902 HA HIS 29 HA HIS 29 14.192 10.097 -5.372 903 1HB HIS 29 2HB HIS 29 13.932 12.260 -6.306 904 2HB HIS 29 3HB HIS 29 15.193 11.481 -7.257 905 HD1 HIS 29 HD1 HIS 29 14.824 11.327 -9.730 906 HD2 HIS 29 HD2 HIS 29 11.375 12.385 -7.669 907 HE1 HIS 29 HE1 HIS 29 13.140 11.925 -11.499 908 H TYR 30 H TYR 30 12.146 11.465 -4.991 909 HA TYR 30 HA TYR 30 9.800 10.020 -6.035 910 1HB TYR 30 2HB TYR 30 10.734 10.135 -3.353 911 2HB TYR 30 3HB TYR 30 9.246 11.073 -3.434 912 HD1 TYR 30 HD1 TYR 30 10.521 7.830 -4.807 913 HD2 TYR 30 HD2 TYR 30 7.330 9.915 -2.919 914 HE1 TYR 30 HE1 TYR 30 9.213 5.749 -4.736 915 HE2 TYR 30 HE2 TYR 30 6.012 7.839 -2.841 916 HH TYR 30 HH TYR 30 6.333 5.451 -2.906 917 H GLN 31 H GLN 31 7.731 11.362 -5.267 918 HA GLN 31 HA GLN 31 7.557 13.609 -6.833 919 1HB GLN 31 2HB GLN 31 5.565 12.542 -6.032 920 2HB GLN 31 3HB GLN 31 5.992 12.874 -4.359 921 1HG GLN 31 2HG GLN 31 5.083 14.901 -4.419 922 2HG GLN 31 3HG GLN 31 5.833 15.285 -5.967 923 1HE2 GLN 31 1HE2 GLN 31 3.538 12.747 -5.063 924 2HE2 GLN 31 2HE2 GLN 31 2.305 13.222 -6.175 925 H ALA 32 H ALA 32 8.332 13.439 -3.380 926 HA ALA 32 HA ALA 32 8.392 16.167 -2.821 927 1HB ALA 32 1HB ALA 32 8.632 14.102 -1.262 928 2HB ALA 32 2HB ALA 32 10.359 14.311 -1.552 929 3HB ALA 32 3HB ALA 32 9.422 15.618 -0.829 930 H GLN 33 H GLN 33 10.738 14.120 -4.413 931 HA GLN 33 HA GLN 33 12.503 16.459 -4.727 932 1HB GLN 33 2HB GLN 33 13.131 13.536 -4.440 933 2HB GLN 33 3HB GLN 33 14.268 14.629 -5.216 934 1HG GLN 33 2HG GLN 33 14.788 15.696 -3.279 935 2HG GLN 33 3HG GLN 33 13.202 15.410 -2.565 936 1HE2 GLN 33 1HE2 GLN 33 12.852 12.809 -2.556 937 2HE2 GLN 33 2HE2 GLN 33 14.096 11.987 -1.681 938 H CYS 34 H CYS 34 10.140 15.707 -6.425 939 HA CYS 34 HA CYS 34 11.263 14.569 -8.783 940 1HB CYS 34 2HB CYS 34 8.864 14.306 -8.100 941 2HB CYS 34 3HB CYS 34 8.610 16.005 -8.447 942 HA PRO 35 HA PRO 35 13.053 18.426 -10.133 943 1HB PRO 35 2HB PRO 35 13.776 17.561 -12.604 944 2HB PRO 35 3HB PRO 35 14.658 17.124 -11.136 945 1HG PRO 35 2HG PRO 35 12.616 15.550 -12.658 946 2HG PRO 35 3HG PRO 35 14.148 15.005 -11.949 947 1HD PRO 35 2HD PRO 35 11.756 14.588 -10.749 948 2HD PRO 35 3HD PRO 35 13.253 14.843 -9.831 949 H LYS 36 H LYS 36 10.286 16.892 -11.383 950 HA LYS 36 HA LYS 36 9.784 19.039 -13.317 951 1HB LYS 36 2HB LYS 36 9.407 16.367 -13.580 952 2HB LYS 36 3HB LYS 36 7.814 16.855 -13.019 953 1HG LYS 36 2HG LYS 36 7.524 18.321 -14.866 954 2HG LYS 36 3HG LYS 36 9.209 18.136 -15.355 955 1HD LYS 36 2HD LYS 36 8.329 15.547 -15.333 956 2HD LYS 36 3HD LYS 36 6.894 16.420 -15.877 957 1HE LYS 36 2HE LYS 36 8.040 17.336 -17.729 958 2HE LYS 36 3HE LYS 36 9.611 16.860 -17.089 959 1HZ LYS 36 1HZ LYS 36 8.316 15.479 -18.943 960 2HZ LYS 36 2HZ LYS 36 7.713 14.710 -17.563 961 3HZ LYS 36 3HZ LYS 36 9.380 14.763 -17.839 962 H LYS 37 H LYS 37 9.315 18.519 -10.139 963 HA LYS 37 HA LYS 37 6.616 19.053 -9.657 964 1HB LYS 37 2HB LYS 37 9.141 19.321 -8.120 965 2HB LYS 37 3HB LYS 37 7.762 20.240 -7.531 966 1HG LYS 37 2HG LYS 37 6.946 17.564 -8.145 967 2HG LYS 37 3HG LYS 37 8.353 17.538 -7.079 968 1HD LYS 37 2HD LYS 37 6.697 17.696 -5.514 969 2HD LYS 37 3HD LYS 37 6.975 19.413 -5.815 970 1HE LYS 37 2HE LYS 37 5.084 18.334 -7.703 971 2HE LYS 37 3HE LYS 37 4.566 18.011 -6.049 972 1HZ LYS 37 1HZ LYS 37 5.034 20.609 -7.364 973 2HZ LYS 37 2HZ LYS 37 5.103 20.478 -5.679 974 3HZ LYS 37 3HZ LYS 37 3.677 20.084 -6.499 975 H ARG 38 H ARG 38 5.633 20.660 -10.759 976 HA ARG 38 HA ARG 38 6.750 23.105 -11.502 977 1HB ARG 38 2HB ARG 38 4.471 23.847 -11.925 978 2HB ARG 38 3HB ARG 38 4.681 22.190 -12.474 979 1HG ARG 38 2HG ARG 38 3.741 21.610 -10.100 980 2HG ARG 38 3HG ARG 38 3.089 23.247 -10.195 981 1HD ARG 38 2HD ARG 38 2.707 21.547 -12.578 982 2HD ARG 38 3HD ARG 38 1.813 21.071 -11.135 983 HE ARG 38 HE ARG 38 1.251 23.276 -12.827 984 1HH1 ARG 38 2HH1 ARG 38 1.212 22.277 -9.492 985 2HH1 ARG 38 1HH1 ARG 38 -0.059 23.366 -9.045 986 1HH2 ARG 38 2HH2 ARG 38 -0.423 24.715 -12.250 987 2HH2 ARG 38 1HH2 ARG 38 -0.988 24.752 -10.614 988 H LYS 39 H LYS 39 6.427 25.232 -10.685 989 HA LYS 39 HA LYS 39 5.236 25.768 -8.175 990 1HB LYS 39 2HB LYS 39 7.955 24.787 -8.127 991 2HB LYS 39 3HB LYS 39 7.878 26.427 -7.497 992 1HG LYS 39 2HG LYS 39 5.837 24.536 -6.504 993 2HG LYS 39 3HG LYS 39 7.502 24.257 -5.988 994 1HD LYS 39 2HD LYS 39 7.653 26.431 -5.031 995 2HD LYS 39 3HD LYS 39 6.129 26.930 -5.766 996 1HE LYS 39 2HE LYS 39 5.075 25.032 -4.404 997 2HE LYS 39 3HE LYS 39 6.584 25.021 -3.493 998 1HZ LYS 39 1HZ LYS 39 4.389 26.793 -3.276 999 2HZ LYS 39 2HZ LYS 39 5.791 27.665 -3.645 1000 3HZ LYS 39 3HZ LYS 39 5.752 26.661 -2.282 1001 H SER 40 H SER 40 7.944 26.766 -10.259 1002 HA SER 40 HA SER 40 6.701 29.194 -11.010 1003 1HB SER 40 2HB SER 40 8.352 29.234 -8.589 1004 2HB SER 40 3HB SER 40 8.860 30.409 -9.803 1005 HG SER 40 HG SER 40 7.134 31.009 -8.206 1006 H GLY 41 H GLY 41 8.181 30.590 -12.305 1007 1HA GLY 41 1HA GLY 41 10.216 28.900 -13.610 1008 2HA GLY 41 2HA GLY 41 9.300 30.165 -14.414 1009 H ASN 42 H ASN 42 9.584 32.383 -13.160 1010 HA ASN 42 HA ASN 42 10.974 34.132 -12.735 1011 1HB ASN 42 2HB ASN 42 11.837 32.000 -11.041 1012 2HB ASN 42 3HB ASN 42 13.260 32.872 -11.603 1013 1HD2 ASN 42 1HD2 ASN 42 13.858 34.463 -10.342 1014 2HD2 ASN 42 2HD2 ASN 42 12.825 35.420 -9.340 1015 H SER 43 H SER 43 13.482 34.768 -12.948 1016 HA SER 43 HA SER 43 14.896 33.408 -15.037 1017 1HB SER 43 2HB SER 43 14.795 35.654 -16.450 1018 2HB SER 43 3HB SER 43 13.583 34.390 -16.655 1019 HG SER 43 HG SER 43 13.323 36.926 -15.650 1020 H ARG 44 H ARG 44 16.241 33.597 -13.031 1021 HA ARG 44 HA ARG 44 18.045 35.847 -13.333 1022 1HB ARG 44 2HB ARG 44 16.208 35.554 -11.060 1023 2HB ARG 44 3HB ARG 44 17.890 35.780 -10.598 1024 1HG ARG 44 2HG ARG 44 17.827 37.758 -12.266 1025 2HG ARG 44 3HG ARG 44 16.077 37.625 -12.089 1026 1HD ARG 44 2HD ARG 44 16.118 38.569 -10.067 1027 2HD ARG 44 3HD ARG 44 17.449 37.544 -9.534 1028 HE ARG 44 HE ARG 44 18.869 39.283 -9.925 1029 1HH1 ARG 44 2HH1 ARG 44 15.942 39.809 -11.735 1030 2HH1 ARG 44 1HH1 ARG 44 16.410 41.385 -12.284 1031 1HH2 ARG 44 2HH2 ARG 44 19.496 41.356 -10.640 1032 2HH2 ARG 44 1HH2 ARG 44 18.431 42.263 -11.661 1033 H GLU 45 H GLU 45 20.131 35.423 -12.627 1034 HA GLU 45 HA GLU 45 20.988 32.772 -12.661 1035 1HB GLU 45 2HB GLU 45 22.256 35.364 -11.887 1036 2HB GLU 45 3HB GLU 45 23.099 33.867 -11.517 1037 1HG GLU 45 2HG GLU 45 23.962 34.491 -13.574 1038 2HG GLU 45 3HG GLU 45 22.747 33.280 -13.982 1039 H ARG 46 H ARG 46 20.503 31.262 -11.213 1040 HA ARG 46 HA ARG 46 20.306 32.003 -8.381 1041 1HB ARG 46 2HB ARG 46 18.496 30.676 -9.758 1042 2HB ARG 46 3HB ARG 46 19.543 29.305 -9.416 1043 1HG ARG 46 2HG ARG 46 19.173 29.427 -7.130 1044 2HG ARG 46 3HG ARG 46 18.619 31.100 -7.212 1045 1HD ARG 46 2HD ARG 46 16.693 30.146 -8.646 1046 2HD ARG 46 3HD ARG 46 17.170 28.590 -7.969 1047 HE ARG 46 HE ARG 46 15.759 30.689 -6.634 1048 1HH1 ARG 46 2HH1 ARG 46 17.956 28.027 -6.176 1049 2HH1 ARG 46 1HH1 ARG 46 17.507 27.770 -4.522 1050 1HH2 ARG 46 2HH2 ARG 46 15.158 30.360 -4.458 1051 2HH2 ARG 46 1HH2 ARG 46 15.914 29.097 -3.547 1052 H CYS 47 H CYS 47 20.998 30.062 -6.813 1053 HA CYS 47 HA CYS 47 23.551 29.058 -7.846 1054 1HB CYS 47 2HB CYS 47 23.923 30.932 -6.279 1055 2HB CYS 47 3HB CYS 47 23.015 30.088 -5.040 1056 H GLN 48 H GLN 48 23.464 26.917 -7.906 1057 HA GLN 48 HA GLN 48 21.508 25.462 -6.296 1058 1HB GLN 48 2HB GLN 48 22.354 25.202 -8.928 1059 2HB GLN 48 3HB GLN 48 23.129 23.855 -8.104 1060 1HG GLN 48 2HG GLN 48 21.095 23.005 -8.865 1061 2HG GLN 48 3HG GLN 48 20.838 23.320 -7.149 1062 1HE2 GLN 48 1HE2 GLN 48 19.111 24.449 -6.606 1063 2HE2 GLN 48 2HE2 GLN 48 18.161 25.421 -7.671 1064 H LEU 49 H LEU 49 23.969 26.585 -5.140 1065 HA LEU 49 HA LEU 49 25.142 24.072 -4.146 1066 1HB LEU 49 2HB LEU 49 26.440 26.215 -5.469 1067 2HB LEU 49 3HB LEU 49 26.957 26.239 -3.784 1068 HG LEU 49 HG LEU 49 27.046 23.611 -5.131 1069 1HD1 LEU 49 1HD1 LEU 49 29.186 24.137 -6.225 1070 2HD1 LEU 49 2HD1 LEU 49 28.942 25.843 -5.848 1071 3HD1 LEU 49 3HD1 LEU 49 27.831 25.013 -6.939 1072 1HD2 LEU 49 1HD2 LEU 49 27.796 24.183 -2.773 1073 2HD2 LEU 49 2HD2 LEU 49 29.150 25.031 -3.521 1074 3HD2 LEU 49 3HD2 LEU 49 28.944 23.298 -3.777 1075 H CYS 50 H CYS 50 24.159 27.452 -3.416 1076 HA CYS 50 HA CYS 50 24.104 26.628 -0.610 1077 1HB CYS 50 2HB CYS 50 24.994 28.665 0.150 1078 2HB CYS 50 3HB CYS 50 26.040 28.199 -1.178 1079 H ASN 51 H ASN 51 22.292 26.949 -3.088 1080 HA ASN 51 HA ASN 51 20.145 27.537 -3.555 1081 1HB ASN 51 2HB ASN 51 19.825 28.111 -0.609 1082 2HB ASN 51 3HB ASN 51 18.585 27.607 -1.754 1083 1HD2 ASN 51 1HD2 ASN 51 20.181 26.553 0.782 1084 2HD2 ASN 51 2HD2 ASN 51 20.333 24.871 0.414 1085 H GLY 52 H GLY 52 22.350 29.607 -3.251 1086 1HA GLY 52 1HA GLY 52 21.195 32.023 -2.337 1087 2HA GLY 52 2HA GLY 52 22.583 31.887 -3.406 1088 H MET 53 H MET 53 20.555 33.870 -3.588 1089 HA MET 53 HA MET 53 19.392 33.163 -6.200 1090 1HB MET 53 2HB MET 53 17.576 34.844 -5.606 1091 2HB MET 53 3HB MET 53 17.538 33.312 -4.744 1092 1HG MET 53 2HG MET 53 18.006 34.261 -2.753 1093 2HG MET 53 3HG MET 53 19.053 35.490 -3.461 1094 1HE MET 53 1HE MET 53 17.225 38.378 -2.612 1095 2HE MET 53 2HE MET 53 18.710 37.491 -2.957 1096 3HE MET 53 3HE MET 53 17.763 38.173 -4.279 1097 H GLY 54 H GLY 54 20.892 34.105 -7.514 1098 1HA GLY 54 1HA GLY 54 20.826 36.563 -8.456 1099 2HA GLY 54 2HA GLY 54 21.721 36.858 -6.973 1100 H HIS 55 H HIS 55 23.513 34.975 -6.724 1101 HA HIS 55 HA HIS 55 25.248 35.389 -9.015 1102 1HB HIS 55 2HB HIS 55 26.996 34.402 -7.572 1103 2HB HIS 55 3HB HIS 55 26.177 35.752 -6.794 1104 HD1 HIS 55 HD1 HIS 55 24.298 35.031 -4.985 1105 HD2 HIS 55 HD2 HIS 55 27.011 32.097 -6.122 1106 HE1 HIS 55 HE1 HIS 55 24.148 33.253 -3.213 1107 H ASN 56 H ASN 56 26.848 33.254 -9.138 1108 HA ASN 56 HA ASN 56 25.039 31.032 -9.828 1109 1HB ASN 56 2HB ASN 56 27.533 31.993 -11.239 1110 2HB ASN 56 3HB ASN 56 26.741 30.463 -11.600 1111 1HD2 ASN 56 1HD2 ASN 56 25.357 30.502 -13.207 1112 2HD2 ASN 56 2HD2 ASN 56 24.499 31.887 -13.782 1113 H ALA 57 H ALA 57 25.823 28.902 -9.549 1114 HA ALA 57 HA ALA 57 27.243 28.436 -7.192 1115 1HB ALA 57 1HB ALA 57 27.499 26.115 -8.736 1116 2HB ALA 57 2HB ALA 57 26.260 26.475 -7.533 1117 3HB ALA 57 3HB ALA 57 25.977 26.857 -9.232 1118 H LYS 58 H LYS 58 28.326 28.603 -10.530 1119 HA LYS 58 HA LYS 58 30.894 27.514 -10.183 1120 1HB LYS 58 2HB LYS 58 29.540 29.192 -12.214 1121 2HB LYS 58 3HB LYS 58 31.298 29.258 -12.202 1122 1HG LYS 58 2HG LYS 58 29.992 26.590 -12.150 1123 2HG LYS 58 3HG LYS 58 29.988 27.502 -13.661 1124 1HD LYS 58 2HD LYS 58 31.961 26.376 -13.905 1125 2HD LYS 58 3HD LYS 58 32.549 27.808 -13.057 1126 1HE LYS 58 2HE LYS 58 31.682 25.928 -11.114 1127 2HE LYS 58 3HE LYS 58 32.707 25.079 -12.269 1128 1HZ LYS 58 1HZ LYS 58 34.489 26.025 -11.391 1129 2HZ LYS 58 2HZ LYS 58 33.517 26.710 -10.188 1130 3HZ LYS 58 3HZ LYS 58 33.851 27.577 -11.601 1131 H GLN 59 H GLN 59 29.560 30.554 -9.282 1132 HA GLN 59 HA GLN 59 32.253 31.558 -8.638 1133 1HB GLN 59 2HB GLN 59 30.611 32.827 -10.268 1134 2HB GLN 59 3HB GLN 59 29.887 33.377 -8.763 1135 1HG GLN 59 2HG GLN 59 31.409 35.045 -9.344 1136 2HG GLN 59 3HG GLN 59 32.220 34.113 -8.086 1137 1HE2 GLN 59 1HE2 GLN 59 32.996 35.768 -10.593 1138 2HE2 GLN 59 2HE2 GLN 59 34.213 34.791 -11.331 1139 H CYS 60 H CYS 60 30.080 29.810 -7.112 1140 HA CYS 60 HA CYS 60 29.658 31.578 -4.858 1141 1HB CYS 60 2HB CYS 60 27.806 30.130 -5.660 1142 2HB CYS 60 3HB CYS 60 28.756 28.709 -5.273 1143 H ARG 61 H ARG 61 30.751 31.346 -2.965 1144 HA ARG 61 HA ARG 61 32.496 30.866 -1.579 1145 1HB ARG 61 2HB ARG 61 31.655 28.124 -2.499 1146 2HB ARG 61 3HB ARG 61 32.923 28.357 -1.303 1147 1HG ARG 61 2HG ARG 61 31.388 29.429 0.199 1148 2HG ARG 61 3HG ARG 61 30.114 29.398 -1.021 1149 1HD ARG 61 2HD ARG 61 30.344 26.881 -1.010 1150 2HD ARG 61 3HD ARG 61 31.361 27.068 0.419 1151 HE ARG 61 HE ARG 61 29.077 28.440 1.015 1152 1HH1 ARG 61 2HH1 ARG 61 29.812 25.185 0.026 1153 2HH1 ARG 61 1HH1 ARG 61 28.465 24.487 0.863 1154 1HH2 ARG 61 2HH2 ARG 61 27.299 27.534 2.120 1155 2HH2 ARG 61 1HH2 ARG 61 27.035 25.825 2.053 1156 H LYS 62 H LYS 62 33.639 31.973 -3.560 1157 HA LYS 62 HA LYS 62 35.961 30.294 -4.178 1158 1HB LYS 62 2HB LYS 62 34.150 30.634 -6.098 1159 2HB LYS 62 3HB LYS 62 35.006 32.156 -6.299 1160 1HG LYS 62 2HG LYS 62 36.138 30.816 -7.768 1161 2HG LYS 62 3HG LYS 62 37.124 30.627 -6.316 1162 1HD LYS 62 2HD LYS 62 36.518 28.463 -6.029 1163 2HD LYS 62 3HD LYS 62 34.876 28.734 -6.620 1164 1HE LYS 62 2HE LYS 62 36.174 27.274 -8.112 1165 2HE LYS 62 3HE LYS 62 35.674 28.765 -8.908 1166 1HZ LYS 62 1HZ LYS 62 37.826 29.619 -8.815 1167 2HZ LYS 62 2HZ LYS 62 38.056 28.000 -9.247 1168 3HZ LYS 62 3HZ LYS 62 38.338 28.499 -7.654 1169 H ARG 63 H ARG 63 37.897 31.482 -4.629 1170 HA ARG 63 HA ARG 63 37.861 34.351 -4.152 1171 1HB ARG 63 2HB ARG 63 38.844 32.351 -2.210 1172 2HB ARG 63 3HB ARG 63 39.913 33.716 -2.504 1173 1HG ARG 63 2HG ARG 63 37.852 35.175 -2.074 1174 2HG ARG 63 3HG ARG 63 37.134 33.715 -1.390 1175 1HD ARG 63 2HD ARG 63 38.089 34.846 0.435 1176 2HD ARG 63 3HD ARG 63 39.220 33.550 0.051 1177 HE ARG 63 HE ARG 63 39.974 35.881 -1.329 1178 1HH1 ARG 63 2HH1 ARG 63 39.854 34.583 1.900 1179 2HH1 ARG 63 1HH1 ARG 63 41.192 35.526 2.469 1180 1HH2 ARG 63 2HH2 ARG 63 41.735 37.128 -0.592 1181 2HH2 ARG 63 1HH2 ARG 63 42.260 36.974 1.052 1182 H ASP 64 H ASP 64 38.647 34.598 -6.239 1183 HA ASP 64 HA ASP 64 40.197 34.754 -7.898 1184 1HB ASP 64 2HB ASP 64 42.164 34.336 -5.636 1185 2HB ASP 64 3HB ASP 64 42.532 35.011 -7.221 Start of MODEL 11 1 1H5* C 160 1H5* C 160 18.102 9.235 -13.245 2 2H5* C 160 2H5* C 160 17.598 10.774 -12.547 3 H4* C 160 H4* C 160 18.566 9.621 -10.769 4 H3* C 160 H3* C 160 20.462 11.639 -11.919 5 H2* C 160 H2* C 160 22.098 11.074 -10.289 6 2HO* C 160 2HO* C 160 21.407 9.887 -8.491 7 H1* C 160 H1* C 160 21.801 8.308 -10.746 8 1H4 C 160 1H4 C 160 26.882 10.072 -14.206 9 2H4 C 160 2H4 C 160 25.806 10.502 -15.516 10 H5 C 160 H5 C 160 23.450 10.474 -15.347 11 H6 C 160 H6 C 160 21.529 10.022 -13.864 12 1H5* U 161 1H5* U 161 20.352 12.718 -7.530 13 2H5* U 161 2H5* U 161 20.293 14.480 -7.559 14 H4* U 161 H4* U 161 22.154 13.654 -6.211 15 H3* U 161 H3* U 161 22.801 15.239 -8.684 16 H2* U 161 H2* U 161 25.102 15.212 -8.082 17 2HO* U 161 2HO* U 161 25.519 14.137 -5.925 18 H1* U 161 H1* U 161 25.098 12.449 -7.572 19 H3 U 161 H3 U 161 27.595 13.262 -11.351 20 H5 U 161 H5 U 161 23.640 12.880 -12.673 21 H6 U 161 H6 U 161 22.954 12.911 -10.319 22 1H5* G 162 1H5* G 162 24.721 16.858 -5.348 23 2H5* G 162 2H5* G 162 24.322 18.558 -5.100 24 H4* G 162 H4* G 162 26.629 18.471 -4.819 25 H3* G 162 H3* G 162 25.893 19.485 -7.535 26 H2* G 162 H2* G 162 28.189 19.730 -8.124 27 2HO* G 162 2HO* G 162 29.530 18.787 -6.080 28 H1* G 162 H1* G 162 28.847 17.135 -7.335 29 H8 G 162 H8 G 162 25.456 17.035 -8.842 30 H1 G 162 H1 G 162 30.188 17.163 -13.256 31 1H2 G 162 1H2 G 162 31.980 17.597 -12.331 32 2H2 G 162 2H2 G 162 32.172 17.882 -10.617 33 1H5* C 163 1H5* C 163 28.780 21.782 -5.977 34 2H5* C 163 2H5* C 163 28.545 23.529 -5.947 35 H4* C 163 H4* C 163 30.633 23.219 -6.948 36 H3* C 163 H3* C 163 28.511 23.774 -9.006 37 H2* C 163 H2* C 163 30.168 23.782 -10.708 38 2HO* C 163 2HO* C 163 32.169 23.220 -8.768 39 H1* C 163 H1* C 163 31.338 21.392 -9.825 40 1H4 C 163 1H4 C 163 27.278 19.520 -14.378 41 2H4 C 163 2H4 C 163 25.952 19.659 -13.247 42 H5 C 163 H5 C 163 26.175 20.502 -11.053 43 H6 C 163 H6 C 163 27.743 21.429 -9.385 44 1H5* C 164 1H5* C 164 31.471 26.910 -9.668 45 2H5* C 164 2H5* C 164 30.613 28.407 -10.032 46 H4* C 164 H4* C 164 32.148 27.820 -11.820 47 H3* C 164 H3* C 164 29.209 27.799 -12.449 48 H2* C 164 H2* C 164 29.698 27.351 -14.731 49 2HO* C 164 2HO* C 164 32.376 27.139 -14.691 50 H1* C 164 H1* C 164 31.522 25.297 -14.083 51 1H4 C 164 1H4 C 164 26.080 22.235 -15.417 52 2H4 C 164 2H4 C 164 25.490 22.605 -13.812 53 H5 C 164 H5 C 164 26.640 23.974 -12.269 54 H6 C 164 H6 C 164 28.662 25.338 -11.882 55 1H5* C 165 1H5* C 165 30.962 30.598 -15.206 56 2H5* C 165 2H5* C 165 29.885 31.963 -15.501 57 H4* C 165 H4* C 165 30.405 30.810 -17.569 58 H3* C 165 H3* C 165 27.552 30.705 -16.622 59 H2* C 165 H2* C 165 26.931 29.594 -18.626 60 2HO* C 165 2HO* C 165 28.201 30.034 -20.346 61 H1* C 165 H1* C 165 29.118 27.796 -18.451 62 1H4 C 165 1H4 C 165 24.082 24.530 -16.254 63 2H4 C 165 2H4 C 165 24.316 25.267 -14.684 64 H5 C 165 H5 C 165 25.904 26.959 -14.247 65 H6 C 165 H6 C 165 27.678 28.375 -15.219 66 1H5* U 166 1H5* U 166 27.396 32.652 -20.676 67 2H5* U 166 2H5* U 166 26.163 33.906 -20.543 68 H4* U 166 H4* U 166 25.724 32.375 -22.398 69 H3* U 166 H3* U 166 23.740 32.500 -20.143 70 H2* U 166 H2* U 166 22.299 31.028 -21.328 71 2HO* U 166 2HO* U 166 23.265 30.424 -23.556 72 H1* U 166 H1* U 166 24.375 29.226 -21.929 73 H3 U 166 H3 U 166 21.518 27.191 -18.963 74 H5 U 166 H5 U 166 24.167 29.420 -16.606 75 H6 U 166 H6 U 166 24.997 30.438 -18.678 76 1H5* C 167 1H5* C 167 21.338 33.564 -23.787 77 2H5* C 167 2H5* C 167 20.443 35.000 -23.294 78 H4* C 167 H4* C 167 18.903 33.417 -24.204 79 H3* C 167 H3* C 167 18.712 33.793 -21.226 80 H2* C 167 H2* C 167 16.798 32.379 -21.183 81 2HO* C 167 2HO* C 167 16.870 31.769 -23.898 82 H1* C 167 H1* C 167 18.031 30.382 -22.706 83 1H4 C 167 1H4 C 167 18.966 28.705 -16.603 84 2H4 C 167 2H4 C 167 20.445 29.638 -16.606 85 H5 C 167 H5 C 167 21.132 31.006 -18.405 86 H6 C 167 H6 C 167 20.563 31.822 -20.665 87 1H5* A 168 1H5* A 168 16.580 34.197 -20.102 88 2H5* A 168 2H5* A 168 15.473 34.947 -21.251 89 H4* A 168 H4* A 168 14.286 34.946 -19.255 90 H3* A 168 H3* A 168 15.521 37.635 -19.751 91 H2* A 168 H2* A 168 14.542 38.482 -17.761 92 2HO* A 168 2HO* A 168 12.887 37.242 -16.797 93 H1* A 168 H1* A 168 15.393 36.344 -16.187 94 H8 A 168 H8 A 168 16.700 38.864 -18.702 95 1H6 A 168 1H6 A 168 21.431 39.747 -14.729 96 2H6 A 168 2H6 A 168 20.697 40.321 -16.211 97 H2 A 168 H2 A 168 18.972 36.363 -13.233 98 1H5* U 169 1H5* U 169 14.032 41.209 -20.990 99 2H5* U 169 2H5* U 169 15.473 40.440 -20.323 100 H4* U 169 H4* U 169 14.168 41.288 -18.056 101 H3* U 169 H3* U 169 13.414 43.147 -20.276 102 H2* U 169 H2* U 169 13.837 45.044 -18.906 103 2HO* U 169 2HO* U 169 13.300 44.508 -16.867 104 H1* U 169 H1* U 169 16.354 44.189 -18.121 105 H3 U 169 H3 U 169 16.856 47.567 -21.199 106 H5 U 169 H5 U 169 16.594 44.040 -23.442 107 H6 U 169 H6 U 169 15.967 42.886 -21.370 108 1H5* C 170 1H5* C 170 10.307 41.344 -20.025 109 2H5* C 170 2H5* C 170 8.614 41.314 -19.532 110 H4* C 170 H4* C 170 10.014 39.437 -18.654 111 H3* C 170 H3* C 170 8.475 41.235 -16.795 112 H2* C 170 H2* C 170 9.079 39.829 -14.974 113 2HO* C 170 2HO* C 170 10.607 37.968 -15.982 114 H1* C 170 H1* C 170 11.789 39.777 -15.717 115 1H4 C 170 1H4 C 170 11.483 44.402 -11.331 116 2H4 C 170 2H4 C 170 10.831 45.493 -12.533 117 H5 C 170 H5 C 170 10.275 44.848 -14.734 118 H6 C 170 H6 C 170 10.208 42.974 -16.343 119 1H5* C 171 1H5* C 171 4.808 37.968 -17.339 120 2H5* C 171 2H5* C 171 3.598 39.251 -17.358 121 H4* C 171 H4* C 171 3.385 37.572 -15.501 122 H3* C 171 H3* C 171 3.590 40.526 -14.910 123 H2* C 171 H2* C 171 3.093 40.055 -12.644 124 2HO* C 171 2HO* C 171 2.759 37.323 -13.457 125 H1* C 171 H1* C 171 4.852 37.813 -12.600 126 1H4 C 171 1H4 C 171 7.900 42.603 -9.627 127 2H4 C 171 2H4 C 171 8.579 43.065 -11.171 128 H5 C 171 H5 C 171 7.961 42.081 -13.228 129 H6 C 171 H6 C 171 6.525 40.396 -14.319 130 1H5* G 172 1H5* G 172 -0.413 39.083 -13.344 131 2H5* G 172 2H5* G 172 -1.539 40.344 -13.848 132 H4* G 172 H4* G 172 -1.897 39.918 -11.533 133 H3* G 172 H3* G 172 -0.564 42.538 -12.136 134 H2* G 172 H2* G 172 -0.608 43.110 -9.824 135 2HO* G 172 2HO* G 172 -1.705 41.441 -8.432 136 H1* G 172 H1* G 172 0.513 40.681 -9.027 137 H8 G 172 H8 G 172 2.069 41.738 -12.242 138 H1 G 172 H1 G 172 4.633 44.664 -7.069 139 1H2 G 172 1H2 G 172 3.467 44.280 -5.412 140 2H2 G 172 2H2 G 172 2.011 43.309 -5.422 141 1H5* U 173 1H5* U 173 -3.479 43.405 -9.375 142 2H5* U 173 2H5* U 173 -4.619 44.575 -10.037 143 H4* U 173 H4* U 173 -4.057 45.444 -7.953 144 H3* U 173 H3* U 173 -2.482 46.808 -10.120 145 H2* U 173 H2* U 173 -1.525 48.265 -8.506 146 2HO* U 173 2HO* U 173 -2.566 47.381 -6.214 147 H1* U 173 H1* U 173 -0.851 46.196 -6.754 148 H3 U 173 H3 U 173 3.126 47.577 -8.483 149 H5 U 173 H5 U 173 1.478 45.157 -11.477 150 H6 U 173 H6 U 173 -0.582 45.084 -10.146 151 1H5* C 174 1H5* C 174 -3.994 49.745 -7.901 152 2H5* C 174 2H5* C 174 -4.954 50.944 -8.768 153 H4* C 174 H4* C 174 -3.407 52.232 -7.625 154 H3* C 174 H3* C 174 -2.437 51.789 -10.440 155 H2* C 174 H2* C 174 -0.598 53.235 -10.011 156 2HO* C 174 2HO* C 174 -0.690 54.503 -8.092 157 H1* C 174 H1* C 174 0.036 51.969 -7.585 158 1H4 C 174 1H4 C 174 3.900 49.114 -11.772 159 2H4 C 174 2H4 C 174 2.548 48.213 -12.419 160 H5 C 174 H5 C 174 0.311 48.518 -11.725 161 H6 C 174 H6 C 174 -1.194 49.775 -10.224 162 1H5* U 175 1H5* U 175 -6.212 54.891 -9.830 163 2H5* U 175 2H5* U 175 -6.420 54.448 -11.524 164 H4* U 175 H4* U 175 -6.792 56.623 -12.198 165 H3* U 175 H3* U 175 -5.245 57.526 -9.765 166 H2* U 175 H2* U 175 -6.295 59.631 -9.949 167 2HO* U 175 2HO* U 175 -6.374 60.105 -12.072 168 H1* U 175 H1* U 175 -8.816 58.401 -10.617 169 H3 U 175 H3 U 175 -9.989 60.681 -6.903 170 H5 U 175 H5 U 175 -7.335 57.779 -5.463 171 H6 U 175 H6 U 175 -6.906 57.155 -7.795 172 1H5* C 176 1H5* C 176 -1.626 56.110 -10.505 173 2H5* C 176 2H5* C 176 -2.353 57.338 -9.469 174 H4* C 176 H4* C 176 -0.442 58.550 -9.311 175 H3* C 176 H3* C 176 0.050 57.830 -12.168 176 H2* C 176 H2* C 176 2.394 58.103 -11.918 177 2HO* C 176 2HO* C 176 3.129 59.111 -9.968 178 H1* C 176 H1* C 176 2.577 56.533 -9.644 179 1H4 C 176 1H4 C 176 3.436 52.454 -14.492 180 2H4 C 176 2H4 C 176 1.704 52.228 -14.577 181 H5 C 176 H5 C 176 0.150 53.459 -13.293 182 H6 C 176 H6 C 176 -0.126 55.229 -11.594 183 1H5* G 177 1H5* G 177 2.250 61.508 -11.691 184 2H5* G 177 2H5* G 177 1.680 62.626 -12.930 185 H4* G 177 H4* G 177 4.034 62.576 -13.094 186 H3* G 177 H3* G 177 2.627 61.112 -15.293 187 H2* G 177 H2* G 177 4.705 60.553 -16.318 188 2HO* G 177 2HO* G 177 6.546 61.464 -14.693 189 H1* G 177 H1* G 177 5.796 59.550 -13.953 190 H8 G 177 H8 G 177 2.254 58.562 -13.870 191 H1 G 177 H1 G 177 5.744 54.889 -17.897 192 1H2 G 177 1H2 G 177 7.591 55.758 -18.197 193 2H2 G 177 2H2 G 177 8.114 57.259 -17.467 194 1H5* C 178 1H5* C 178 5.232 63.841 -17.669 195 2H5* C 178 2H5* C 178 4.137 64.482 -18.894 196 H4* C 178 H4* C 178 6.080 63.427 -19.908 197 H3* C 178 H3* C 178 3.392 62.179 -20.404 198 H2* C 178 H2* C 178 4.385 60.616 -21.893 199 2HO* C 178 2HO* C 178 6.945 61.139 -21.873 200 H1* C 178 H1* C 178 6.467 60.007 -20.087 201 1H4 C 178 1H4 C 178 2.182 55.344 -19.254 202 2H4 C 178 2H4 C 178 1.258 56.399 -18.208 203 H5 C 178 H5 C 178 1.783 58.671 -17.834 204 H6 C 178 H6 C 178 3.339 60.510 -18.378 205 1H5* U 179 1H5* U 179 5.038 63.205 -24.317 206 2H5* U 179 2H5* U 179 3.745 63.598 -25.450 207 H4* U 179 H4* U 179 5.138 61.693 -26.172 208 H3* U 179 H3* U 179 2.191 61.286 -25.721 209 H2* U 179 H2* U 179 2.381 59.076 -26.566 210 2HO* U 179 2HO* U 179 4.705 58.586 -27.325 211 H1* U 179 H1* U 179 4.652 58.498 -25.010 212 H3 U 179 H3 U 179 1.039 56.029 -23.529 213 H5 U 179 H5 U 179 0.919 59.641 -21.414 214 H6 U 179 H6 U 179 2.661 60.471 -22.926 215 1H5* U 180 1H5* U 180 3.041 60.024 -29.369 216 2H5* U 180 2H5* U 180 1.985 60.447 -30.716 217 H4* U 180 H4* U 180 2.116 58.075 -30.609 218 H3* U 180 H3* U 180 -0.511 59.231 -29.743 219 H2* U 180 H2* U 180 -1.393 57.062 -29.371 220 2HO* U 180 2HO* U 180 0.392 55.331 -29.959 221 H1* U 180 H1* U 180 0.938 56.211 -27.990 222 H3 U 180 H3 U 180 -2.197 56.082 -24.728 223 H5 U 180 H5 U 180 -1.586 60.176 -25.358 224 H6 U 180 H6 U 180 -0.167 59.571 -27.265 225 1H5* A 181 1H5* A 181 -1.800 58.431 -34.377 226 2H5* A 181 2H5* A 181 -3.139 59.579 -34.379 227 H4* A 181 H4* A 181 -3.743 57.131 -34.550 228 H3* A 181 H3* A 181 -4.958 58.967 -32.499 229 H2* A 181 H2* A 181 -6.410 57.218 -31.810 230 2HO* A 181 2HO* A 181 -6.827 55.669 -33.310 231 H1* A 181 H1* A 181 -4.354 55.323 -31.654 232 H8 A 181 H8 A 181 -3.235 58.701 -30.471 233 1H6 A 181 1H6 A 181 -5.325 57.038 -24.829 234 2H6 A 181 2H6 A 181 -4.425 58.256 -25.706 235 H2 A 181 H2 A 181 -6.610 53.949 -27.755 236 1H5* U 182 1H5* U 182 -8.664 57.325 -33.044 237 2H5* U 182 2H5* U 182 -9.315 56.599 -34.514 238 H4* U 182 H4* U 182 -10.341 59.282 -34.163 239 H3* U 182 H3* U 182 -10.582 57.441 -31.784 240 H2* U 182 H2* U 182 -12.778 58.120 -31.485 241 2HO* U 182 2HO* U 182 -13.152 60.268 -32.898 242 H1* U 182 H1* U 182 -13.005 58.676 -34.390 243 H3 U 182 H3 U 182 -14.314 54.040 -32.103 244 H5 U 182 H5 U 182 -16.942 56.307 -34.448 245 H6 U 182 H6 U 182 -15.150 57.966 -34.674 246 1H5* U 183 1H5* U 183 -9.196 62.473 -29.772 247 2H5* U 183 2H5* U 183 -9.381 61.757 -31.373 248 H4* U 183 H4* U 183 -6.679 61.372 -30.621 249 H3* U 183 H3* U 183 -7.715 64.015 -29.705 250 H2* U 183 H2* U 183 -5.877 65.174 -30.663 251 2HO* U 183 2HO* U 183 -4.160 63.791 -31.566 252 H1* U 183 H1* U 183 -6.110 63.996 -33.148 253 H3 U 183 H3 U 183 -7.824 68.221 -33.531 254 H5 U 183 H5 U 183 -10.999 65.891 -32.105 255 H6 U 183 H6 U 183 -9.391 64.067 -31.795 256 1H5* C 184 1H5* C 184 -6.251 62.341 -24.560 257 2H5* C 184 2H5* C 184 -6.669 63.993 -25.014 258 H4* C 184 H4* C 184 -4.113 62.885 -23.970 259 H3* C 184 H3* C 184 -5.785 65.341 -23.477 260 H2* C 184 H2* C 184 -3.885 66.450 -22.618 261 2HO* C 184 2HO* C 184 -1.936 64.988 -22.367 262 H1* C 184 H1* C 184 -2.217 65.385 -24.704 263 1H4 C 184 1H4 C 184 -3.114 71.590 -26.035 264 2H4 C 184 2H4 C 184 -4.540 71.139 -26.942 265 H5 C 184 H5 C 184 -5.424 68.950 -26.999 266 H6 C 184 H6 C 184 -5.156 66.632 -26.192 267 1H5* G 185 1H5* G 185 -7.950 61.936 -19.937 268 2H5* G 185 2H5* G 185 -8.613 63.419 -19.251 269 H4* G 185 H4* G 185 -6.086 62.584 -18.014 270 H3* G 185 H3* G 185 -8.388 60.657 -18.073 271 H2* G 185 H2* G 185 -7.974 60.089 -15.797 272 2HO* G 185 2HO* G 185 -5.792 60.184 -15.606 273 H1* G 185 H1* G 185 -7.892 62.752 -14.968 274 H8 G 185 H8 G 185 -9.867 61.762 -13.574 275 H1 G 185 H1 G 185 -13.621 61.686 -18.845 276 1H2 G 185 1H2 G 185 -12.469 62.047 -20.516 277 2H2 G 185 2H2 G 185 -10.743 62.328 -20.493 278 1H5* G 186 1H5* G 186 -7.812 56.261 -17.014 279 2H5* G 186 2H5* G 186 -8.929 56.790 -18.273 280 H4* G 186 H4* G 186 -9.278 57.386 -15.327 281 H3* G 186 H3* G 186 -10.233 55.055 -16.960 282 H2* G 186 H2* G 186 -12.292 55.046 -15.762 283 2HO* G 186 2HO* G 186 -12.409 56.626 -13.960 284 H1* G 186 H1* G 186 -12.720 57.778 -16.134 285 H8 G 186 H8 G 186 -11.461 57.218 -19.374 286 H1 G 186 H1 G 186 -16.961 53.894 -18.617 287 1H2 G 186 1H2 G 186 -17.419 53.767 -16.611 288 2H2 G 186 2H2 G 186 -16.455 54.457 -15.324 289 1H5* G 187 1H5* G 187 -8.700 51.223 -16.129 290 2H5* G 187 2H5* G 187 -8.101 52.624 -17.018 291 H4* G 187 H4* G 187 -10.141 50.582 -17.877 292 H3* G 187 H3* G 187 -7.404 51.360 -18.789 293 H2* G 187 H2* G 187 -7.972 50.948 -21.066 294 2HO* G 187 2HO* G 187 -10.462 50.293 -21.140 295 H1* G 187 H1* G 187 -10.284 52.505 -20.952 296 H8 G 187 H8 G 187 -7.843 54.275 -18.849 297 H1 G 187 H1 G 187 -6.700 55.091 -25.166 298 1H2 G 187 1H2 G 187 -7.833 53.751 -26.249 299 2H2 G 187 2H2 G 187 -8.930 52.582 -25.551 300 1H5* G 188 1H5* G 188 -8.334 48.245 -21.397 301 2H5* G 188 2H5* G 188 -7.286 46.925 -20.879 302 H4* G 188 H4* G 188 -7.016 46.939 -23.175 303 H3* G 188 H3* G 188 -4.766 48.468 -21.895 304 H2* G 188 H2* G 188 -3.762 48.765 -24.035 305 2HO* G 188 2HO* G 188 -4.336 47.310 -25.579 306 H1* G 188 H1* G 188 -6.132 49.677 -25.203 307 H8 G 188 H8 G 188 -6.124 51.104 -21.818 308 H1 G 188 H1 G 188 -2.073 54.203 -25.801 309 1H2 G 188 1H2 G 188 -1.823 53.099 -27.524 310 2H2 G 188 2H2 G 188 -2.597 51.563 -27.844 311 1H5* A 189 1H5* A 189 -2.365 45.646 -24.701 312 2H5* A 189 2H5* A 189 -1.034 45.353 -23.581 313 H4* A 189 H4* A 189 -0.433 46.384 -25.807 314 H3* A 189 H3* A 189 0.411 47.594 -23.183 315 H2* A 189 H2* A 189 1.713 49.194 -24.361 316 2HO* A 189 2HO* A 189 0.975 48.249 -26.888 317 H1* A 189 H1* A 189 -0.353 49.803 -26.163 318 H8 A 189 H8 A 189 -1.707 49.306 -22.718 319 1H6 A 189 1H6 A 189 -0.454 55.334 -21.694 320 2H6 A 189 2H6 A 189 -1.249 53.920 -21.038 321 H2 A 189 H2 A 189 1.372 54.175 -25.575 322 1H5* G 190 1H5* G 190 4.130 46.747 -25.662 323 2H5* G 190 2H5* G 190 5.341 46.233 -24.488 324 H4* G 190 H4* G 190 6.154 48.041 -25.921 325 H3* G 190 H3* G 190 5.919 48.534 -22.969 326 H2* G 190 H2* G 190 6.903 50.687 -23.243 327 2HO* G 190 2HO* G 190 7.556 51.158 -25.550 328 H1* G 190 H1* G 190 5.176 51.402 -25.316 329 H8 G 190 H8 G 190 3.133 49.432 -22.968 330 H1 G 190 H1 G 190 4.187 55.464 -20.873 331 1H2 G 190 1H2 G 190 5.655 56.346 -22.021 332 2H2 G 190 2H2 G 190 6.478 55.567 -23.354 333 1H5* C 191 1H5* C 191 10.508 49.216 -23.320 334 2H5* C 191 2H5* C 191 10.955 48.534 -21.756 335 H4* C 191 H4* C 191 11.542 50.961 -22.143 336 H3* C 191 H3* C 191 9.994 50.037 -19.730 337 H2* C 191 H2* C 191 10.119 52.234 -18.839 338 2HO* C 191 2HO* C 191 11.560 53.130 -21.109 339 H1* C 191 H1* C 191 9.357 53.440 -21.264 340 1H4 C 191 1H4 C 191 3.953 53.017 -17.883 341 2H4 C 191 2H4 C 191 3.763 51.364 -18.423 342 H5 C 191 H5 C 191 5.375 50.206 -19.702 343 H6 C 191 H6 C 191 7.587 50.349 -20.789 344 1H5* G 192 1H5* G 192 13.930 52.036 -17.801 345 2H5* G 192 2H5* G 192 14.022 50.918 -16.441 346 H4* G 192 H4* G 192 13.960 53.342 -15.828 347 H3* G 192 H3* G 192 11.967 51.383 -14.727 348 H2* G 192 H2* G 192 11.057 53.092 -13.339 349 2HO* G 192 2HO* G 192 12.527 54.593 -12.799 350 H1* G 192 H1* G 192 10.806 54.906 -15.444 351 H8 G 192 H8 G 192 10.005 51.625 -16.901 352 H1 G 192 H1 G 192 5.150 53.993 -13.335 353 1H2 G 192 1H2 G 192 5.825 55.602 -12.237 354 2H2 G 192 2H2 G 192 7.461 56.218 -12.275 355 1H5* G 193 1H5* G 193 13.863 53.412 -11.587 356 2H5* G 193 2H5* G 193 14.243 52.435 -10.169 357 H4* G 193 H4* G 193 12.906 54.376 -9.571 358 H3* G 193 H3* G 193 11.705 51.656 -9.166 359 H2* G 193 H2* G 193 9.774 52.638 -8.173 360 2HO* G 193 2HO* G 193 10.439 55.271 -8.559 361 H1* G 193 H1* G 193 9.412 54.453 -10.262 362 H8 G 193 H8 G 193 10.574 51.353 -11.865 363 H1 G 193 H1 G 193 4.353 51.039 -10.107 364 1H2 G 193 1H2 G 193 3.908 52.625 -8.865 365 2H2 G 193 2H2 G 193 5.050 53.855 -8.374 366 1H5* A 194 1H5* A 194 11.706 53.112 -4.642 367 2H5* A 194 2H5* A 194 12.148 51.545 -3.961 368 H4* A 194 H4* A 194 10.013 52.546 -3.099 369 H3* A 194 H3* A 194 10.124 49.779 -4.270 370 H2* A 194 H2* A 194 7.838 49.448 -3.713 371 2HO* A 194 2HO* A 194 7.023 51.662 -2.611 372 H1* A 194 H1* A 194 7.025 51.900 -4.791 373 H8 A 194 H8 A 194 9.698 50.349 -6.897 374 1H6 A 194 1H6 A 194 5.138 47.273 -9.847 375 2H6 A 194 2H6 A 194 6.847 47.650 -9.881 376 H2 A 194 H2 A 194 3.385 49.283 -6.292 377 1H5* C 195 1H5* C 195 8.530 48.964 -0.196 378 2H5* C 195 2H5* C 195 9.404 47.527 0.329 379 H4* C 195 H4* C 195 7.005 47.169 0.417 380 H3* C 195 H3* C 195 8.584 45.532 -1.544 381 H2* C 195 H2* C 195 6.626 44.333 -2.146 382 2HO* C 195 2HO* C 195 4.906 45.746 -0.484 383 H1* C 195 H1* C 195 5.081 46.689 -2.382 384 1H4 C 195 1H4 C 195 6.760 45.287 -8.378 385 2H4 C 195 2H4 C 195 8.340 45.980 -8.089 386 H5 C 195 H5 C 195 9.068 46.767 -5.984 387 H6 C 195 H6 C 195 8.453 47.085 -3.615 388 1H5* G 196 1H5* G 196 6.881 41.779 1.330 389 2H5* G 196 2H5* G 196 8.445 41.000 1.095 390 H4* G 196 H4* G 196 6.462 39.614 0.467 391 H3* G 196 H3* G 196 8.674 40.173 -1.490 392 H2* G 196 H2* G 196 7.641 38.712 -3.063 393 2HO* G 196 2HO* G 196 6.950 37.231 -1.447 394 H1* G 196 H1* G 196 5.136 39.915 -2.790 395 H8 G 196 H8 G 196 7.808 42.513 -2.583 396 H1 G 196 H1 G 196 6.269 40.877 -8.652 397 1H2 G 196 1H2 G 196 5.056 39.209 -8.630 398 2H2 G 196 2H2 G 196 4.534 38.377 -7.182 399 1H5* A 197 1H5* A 197 12.274 36.956 1.267 400 2H5* A 197 2H5* A 197 12.502 37.792 -0.269 401 H4* A 197 H4* A 197 12.152 34.861 0.266 402 H3* A 197 H3* A 197 14.252 36.582 -0.938 403 H2* A 197 H2* A 197 14.751 35.024 -2.655 404 2HO* A 197 2HO* A 197 12.734 33.247 -1.805 405 H1* A 197 H1* A 197 12.131 34.686 -3.462 406 H8 A 197 H8 A 197 14.814 36.079 -4.463 407 1H6 A 197 1H6 A 197 12.355 41.628 -5.913 408 2H6 A 197 2H6 A 197 13.729 40.575 -6.171 409 H2 A 197 H2 A 197 9.551 39.538 -3.174 410 1H5* U 198 1H5* U 198 13.639 35.058 3.178 411 2H5* U 198 2H5* U 198 14.772 34.416 4.367 412 H4* U 198 H4* U 198 14.263 32.675 2.031 413 H3* U 198 H3* U 198 12.045 33.395 3.952 414 H2* U 198 H2* U 198 11.398 31.187 4.011 415 2HO* U 198 2HO* U 198 11.990 29.940 1.971 416 H1* U 198 H1* U 198 14.132 30.373 3.099 417 H3 U 198 H3 U 198 13.592 26.882 5.874 418 H5 U 198 H5 U 198 12.924 30.175 8.374 419 H6 U 198 H6 U 198 13.114 31.597 6.386 420 1H5* G 199 1H5* G 199 8.483 31.460 2.610 421 2H5* G 199 2H5* G 199 8.425 30.575 1.084 422 H4* G 199 H4* G 199 7.742 33.298 0.557 423 H3* G 199 H3* G 199 6.442 32.189 3.030 424 H2* G 199 H2* G 199 4.375 33.179 2.380 425 2HO* G 199 2HO* G 199 5.651 34.147 0.017 426 H1* G 199 H1* G 199 4.500 32.146 -0.213 427 H8 G 199 H8 G 199 5.813 29.894 2.540 428 H1 G 199 H1 G 199 -0.484 29.173 1.238 429 1H2 G 199 1H2 G 199 -1.085 30.631 -0.092 430 2H2 G 199 2H2 G 199 -0.037 31.865 -0.755 431 1H5* A 200 1H5* A 200 7.403 36.276 6.134 432 2H5* A 200 2H5* A 200 9.121 36.411 5.759 433 H4* A 200 H4* A 200 8.489 35.596 8.083 434 H3* A 200 H3* A 200 10.471 34.200 6.305 435 H2* A 200 H2* A 200 10.950 32.660 8.050 436 2HO* A 200 2HO* A 200 9.064 33.825 9.785 437 H1* A 200 H1* A 200 8.261 32.135 8.589 438 H8 A 200 H8 A 200 8.521 32.527 4.928 439 1H6 A 200 1H6 A 200 10.438 26.594 4.659 440 2H6 A 200 2H6 A 200 9.899 27.955 3.700 441 H2 A 200 H2 A 200 10.439 27.864 8.917 442 1H5* C 201 1H5* C 201 14.031 35.896 10.918 443 2H5* C 201 2H5* C 201 14.261 34.544 9.809 444 H4* C 201 H4* C 201 11.576 35.161 11.035 445 H3* C 201 H3* C 201 13.847 33.585 12.252 446 H2* C 201 H2* C 201 12.247 32.181 13.280 447 2HO* C 201 2HO* C 201 10.577 33.412 13.922 448 H1* C 201 H1* C 201 10.641 32.152 10.889 449 1H4 C 201 1H4 C 201 13.240 26.337 10.984 450 2H4 C 201 2H4 C 201 14.817 27.022 10.664 451 H5 C 201 H5 C 201 15.241 29.342 10.533 452 H6 C 201 H6 C 201 14.245 31.597 10.678 453 1H5* C 202 1H5* C 202 11.621 35.104 16.008 454 2H5* C 202 2H5* C 202 12.877 35.049 17.245 455 H4* C 202 H4* C 202 10.914 33.603 17.717 456 H3* C 202 H3* C 202 13.661 32.374 17.505 457 H2* C 202 H2* C 202 12.751 30.319 18.274 458 2HO* C 202 2HO* C 202 10.328 30.547 18.823 459 H1* C 202 H1* C 202 10.523 30.524 16.522 460 1H4 C 202 1H4 C 202 14.551 26.429 13.711 461 2H4 C 202 2H4 C 202 15.401 27.788 13.011 462 H5 C 202 H5 C 202 14.922 30.044 13.521 463 H6 C 202 H6 C 202 13.494 31.565 14.841 464 1H5* C 203 1H5* C 203 12.785 31.856 22.051 465 2H5* C 203 2H5* C 203 14.418 31.738 22.707 466 H4* C 203 H4* C 203 12.968 29.737 23.090 467 H3* C 203 H3* C 203 15.632 29.493 21.711 468 H2* C 203 H2* C 203 15.402 27.125 21.735 469 2HO* C 203 2HO* C 203 13.935 26.261 23.177 470 H1* C 203 H1* C 203 12.781 27.220 20.728 471 1H4 C 203 1H4 C 203 16.525 26.268 15.629 472 2H4 C 203 2H4 C 203 16.721 28.001 15.486 473 H5 C 203 H5 C 203 15.891 29.555 17.060 474 H6 C 203 H6 C 203 14.658 29.830 19.180 475 1H5* U 204 1H5* U 204 15.279 27.038 24.854 476 2H5* U 204 2H5* U 204 16.606 26.796 25.991 477 H4* U 204 H4* U 204 15.879 24.665 25.173 478 H3* U 204 H3* U 204 18.584 25.559 24.218 479 H2* U 204 H2* U 204 18.893 23.463 23.132 480 2HO* U 204 2HO* U 204 16.629 22.174 23.524 481 H1* U 204 H1* U 204 16.415 23.554 21.856 482 H3 U 204 H3 U 204 19.804 24.276 18.803 483 H5 U 204 H5 U 204 18.728 28.055 20.253 484 H6 U 204 H6 U 204 17.379 26.911 21.950 485 1H5* A 205 1H5* A 205 20.112 23.066 28.048 486 2H5* A 205 2H5* A 205 21.780 23.640 28.068 487 H4* A 205 H4* A 205 21.272 21.260 27.207 488 H3* A 205 H3* A 205 23.125 23.235 25.894 489 H2* A 205 H2* A 205 23.728 21.589 24.292 490 2HO* A 205 2HO* A 205 23.363 19.462 24.840 491 H1* A 205 H1* A 205 21.086 20.861 23.752 492 H8 A 205 H8 A 205 20.987 24.501 24.221 493 1H6 A 205 1H6 A 205 23.030 25.115 18.356 494 2H6 A 205 2H6 A 205 22.354 25.979 19.720 495 H2 A 205 H2 A 205 23.447 20.852 19.534 496 1H5* G 206 1H5* G 206 25.212 24.361 25.767 497 2H5* G 206 2H5* G 206 24.864 23.733 24.156 498 H4* G 206 H4* G 206 26.974 25.087 24.385 499 H3* G 206 H3* G 206 26.940 22.328 23.195 500 H2* G 206 H2* G 206 29.256 22.527 22.669 501 2HO* G 206 2HO* G 206 29.879 24.581 22.337 502 H1* G 206 H1* G 206 29.953 23.352 25.238 503 H8 G 206 H8 G 206 28.013 20.656 23.418 504 H1 G 206 H1 G 206 31.658 18.509 28.316 505 1H2 G 206 1H2 G 206 32.435 20.114 29.350 506 2H2 G 206 2H2 G 206 32.144 21.792 28.951 507 1H5* U 207 1H5* U 207 25.575 24.162 18.558 508 2H5* U 207 2H5* U 207 27.078 24.491 17.697 509 H4* U 207 H4* U 207 25.081 26.187 17.636 510 H3* U 207 H3* U 207 28.016 26.821 17.787 511 H2* U 207 H2* U 207 27.521 29.140 17.698 512 2HO* U 207 2HO* U 207 25.633 29.674 16.719 513 H1* U 207 H1* U 207 25.547 29.019 19.658 514 H3 U 207 H3 U 207 28.778 30.921 22.130 515 H5 U 207 H5 U 207 30.323 27.107 21.353 516 H6 U 207 H6 U 207 28.374 26.717 19.918 517 1H5* A 208 1H5* A 208 28.288 28.895 12.807 518 2H5* A 208 2H5* A 208 26.909 28.323 11.869 519 H4* A 208 H4* A 208 29.191 27.688 11.005 520 H3* A 208 H3* A 208 27.075 25.600 11.536 521 H2* A 208 H2* A 208 28.470 23.999 10.494 522 2HO* A 208 2HO* A 208 30.541 25.119 9.568 523 H1* A 208 H1* A 208 30.799 25.012 11.806 524 H8 A 208 H8 A 208 27.998 24.579 14.200 525 1H6 A 208 1H6 A 208 29.774 18.624 14.789 526 2H6 A 208 2H6 A 208 28.734 19.865 15.450 527 H2 A 208 H2 A 208 32.004 20.411 11.386 528 1H5* G 209 1H5* G 209 27.589 23.241 8.437 529 2H5* G 209 2H5* G 209 25.882 22.967 8.091 530 H4* G 209 H4* G 209 27.097 21.090 9.251 531 H3* G 209 H3* G 209 24.544 22.266 10.314 532 H2* G 209 H2* G 209 24.504 20.613 12.028 533 2HO* G 209 2HO* G 209 26.959 19.606 10.956 534 H1* G 209 H1* G 209 27.149 21.084 12.783 535 H8 G 209 H8 G 209 25.569 24.322 11.840 536 H1 G 209 H1 G 209 24.134 22.429 17.861 537 1H2 G 209 1H2 G 209 24.755 20.482 18.137 538 2H2 G 209 2H2 G 209 25.546 19.508 16.919 539 1H5* A 210 1H5* A 210 24.178 18.105 10.971 540 2H5* A 210 2H5* A 210 22.604 17.668 10.306 541 H4* A 210 H4* A 210 22.780 16.979 12.623 542 H3* A 210 H3* A 210 20.792 19.168 12.032 543 H2* A 210 H2* A 210 20.005 19.002 14.263 544 2HO* A 210 2HO* A 210 20.607 17.136 15.451 545 H1* A 210 H1* A 210 22.627 18.933 15.332 546 H8 A 210 H8 A 210 22.318 21.483 12.627 547 1H6 A 210 1H6 A 210 20.358 25.461 17.018 548 2H6 A 210 2H6 A 210 20.866 25.330 15.349 549 H2 A 210 H2 A 210 20.535 21.395 18.804 550 1H5* G 211 1H5* G 211 18.797 15.740 13.934 551 2H5* G 211 2H5* G 211 17.197 15.539 13.219 552 H4* G 211 H4* G 211 17.084 15.648 15.650 553 H3* G 211 H3* G 211 15.765 17.845 14.080 554 H2* G 211 H2* G 211 14.889 18.754 16.101 555 2HO* G 211 2HO* G 211 14.948 17.440 17.942 556 H1* G 211 H1* G 211 17.364 18.705 17.394 557 H8 G 211 H8 G 211 18.127 19.623 13.919 558 H1 G 211 H1 G 211 15.610 24.555 17.270 559 1H2 G 211 1H2 G 211 14.832 23.855 19.045 560 2H2 G 211 2H2 G 211 14.857 22.181 19.552 561 1H5* G 212 1H5* G 212 12.184 16.213 16.487 562 2H5* G 212 2H5* G 212 11.067 15.965 15.145 563 H4* G 212 H4* G 212 9.983 17.249 16.864 564 H3* G 212 H3* G 212 10.588 18.717 14.313 565 H2* G 212 H2* G 212 9.434 20.629 15.142 566 2HO* G 212 2HO* G 212 8.915 19.541 17.651 567 H1* G 212 H1* G 212 10.808 20.612 17.574 568 H8 G 212 H8 G 212 13.052 19.603 14.749 569 H1 G 212 H1 G 212 12.507 26.009 15.486 570 1H2 G 212 1H2 G 212 11.008 26.421 16.840 571 2H2 G 212 2H2 G 212 10.041 25.212 17.653 572 1H5* G 213 1H5* G 213 5.974 18.852 14.517 573 2H5* G 213 2H5* G 213 5.517 18.874 12.814 574 H4* G 213 H4* G 213 4.694 20.817 14.138 575 H3* G 213 H3* G 213 6.388 21.207 11.688 576 H2* G 213 H2* G 213 6.110 23.567 11.871 577 2HO* G 213 2HO* G 213 4.338 24.234 12.979 578 H1* G 213 H1* G 213 6.823 23.612 14.570 579 H8 G 213 H8 G 213 9.009 21.080 13.049 580 H1 G 213 H1 G 213 10.901 27.112 11.669 581 1H2 G 213 1H2 G 213 9.412 28.439 12.193 582 2H2 G 213 2H2 G 213 7.878 27.983 12.902 583 1H5* G 214 1H5* G 214 5.029 24.502 10.198 584 2H5* G 214 2H5* G 214 4.662 23.927 8.571 585 H4* G 214 H4* G 214 6.662 25.420 8.755 586 H3* G 214 H3* G 214 6.853 22.679 7.528 587 H2* G 214 H2* G 214 9.111 23.125 6.918 588 2HO* G 214 2HO* G 214 9.170 25.248 6.408 589 H1* G 214 H1* G 214 9.786 24.050 9.476 590 H8 G 214 H8 G 214 7.540 21.209 10.057 591 H1 G 214 H1 G 214 13.472 19.317 8.294 592 1H2 G 214 1H2 G 214 14.530 20.938 7.582 593 2H2 G 214 2H2 G 214 13.902 22.567 7.479 594 1H5* G 215 1H5* G 215 8.108 25.177 3.189 595 2H5* G 215 2H5* G 215 6.603 24.417 2.673 596 H4* G 215 H4* G 215 8.556 23.969 1.193 597 H3* G 215 H3* G 215 7.009 21.717 2.445 598 H2* G 215 H2* G 215 8.308 20.146 1.212 599 2HO* G 215 2HO* G 215 8.716 21.104 -0.708 600 H1* G 215 H1* G 215 10.736 21.303 1.963 601 H8 G 215 H8 G 215 8.422 21.507 4.860 602 H1 G 215 H1 G 215 11.157 15.678 4.200 603 1H2 G 215 1H2 G 215 12.110 15.567 2.375 604 2H2 G 215 2H2 G 215 12.161 16.861 1.198 605 1H5* C 216 1H5* C 216 4.829 21.860 -1.724 606 2H5* C 216 2H5* C 216 3.469 20.771 -1.454 607 H4* C 216 H4* C 216 5.561 19.880 -2.663 608 H3* C 216 H3* C 216 4.116 18.447 -0.442 609 H2* C 216 H2* C 216 5.535 16.574 -0.760 610 2HO* C 216 2HO* C 216 6.880 17.927 -2.865 611 H1* C 216 H1* C 216 7.872 18.128 -0.847 612 1H4 C 216 1H4 C 216 7.399 16.103 5.203 613 2H4 C 216 2H4 C 216 6.413 17.503 5.562 614 H5 C 216 H5 C 216 5.659 19.036 3.932 615 H6 C 216 H6 C 216 5.668 19.611 1.530 616 1H5* U 217 1H5* U 217 4.434 16.059 -3.420 617 2H5* U 217 2H5* U 217 3.065 15.216 -4.144 618 H4* U 217 H4* U 217 4.566 13.514 -3.663 619 H3* U 217 H3* U 217 2.501 13.693 -1.480 620 H2* U 217 H2* U 217 3.451 11.793 -0.433 621 2HO* U 217 2HO* U 217 5.076 10.621 -1.698 622 H1* U 217 H1* U 217 6.081 12.709 -0.655 623 H3 U 217 H3 U 217 5.489 13.328 3.760 624 H5 U 217 H5 U 217 2.907 16.152 2.056 625 H6 U 217 H6 U 217 3.473 15.202 -0.132 626 1H5* G 218 1H5* G 218 -1.016 10.232 -2.541 627 2H5* G 218 2H5* G 218 -0.626 10.091 -0.827 628 H4* G 218 H4* G 218 -0.807 7.888 -1.533 629 H3* G 218 H3* G 218 2.042 8.749 -1.342 630 H2* G 218 H2* G 218 2.826 6.658 -2.155 631 2HO* G 218 2HO* G 218 1.035 5.045 -2.559 632 H1* G 218 H1* G 218 1.018 6.663 -4.323 633 H8 G 218 H8 G 218 2.309 10.088 -4.071 634 H1 G 218 H1 G 218 6.603 6.047 -6.737 635 1H2 G 218 1H2 G 218 5.984 4.100 -6.455 636 2H2 G 218 2H2 G 218 4.519 3.632 -5.620 637 1H5* C 219 1H5* C 219 3.952 6.246 2.646 638 2H5* C 219 2H5* C 219 2.631 6.012 3.791 639 H4* C 219 H4* C 219 4.461 7.541 4.558 640 H3* C 219 H3* C 219 1.592 8.458 4.481 641 H2* C 219 H2* C 219 2.217 10.494 5.477 642 2HO* C 219 2HO* C 219 4.878 10.017 5.875 643 H1* C 219 H1* C 219 4.555 10.817 3.940 644 1H4 C 219 1H4 C 219 -0.199 14.266 1.279 645 2H4 C 219 2H4 C 219 -0.214 13.061 0.009 646 H5 C 219 H5 C 219 1.023 11.050 0.088 647 H6 C 219 H6 C 219 2.594 9.687 1.418 648 1H5* G 220 1H5* G 220 4.025 3.641 6.037 649 2H5* G 220 2H5* G 220 5.154 4.649 6.942 650 H4* G 220 H4* G 220 6.075 3.205 5.041 651 H3* G 220 H3* G 220 6.710 6.150 5.313 652 H2* G 220 H2* G 220 8.132 5.976 3.503 653 2HO* G 220 2HO* G 220 9.475 4.262 3.644 654 H1* G 220 H1* G 220 6.609 3.611 2.523 655 H8 G 220 H8 G 220 6.218 4.076 0.088 656 H1 G 220 H1 G 220 6.485 10.488 0.918 657 1H2 G 220 1H2 G 220 6.705 10.915 2.923 658 2H2 G 220 2H2 G 220 6.804 9.713 4.191 659 1H5* G 221 1H5* G 221 10.089 4.990 5.950 660 2H5* G 221 2H5* G 221 11.211 6.092 6.747 661 H4* G 221 H4* G 221 10.483 6.206 4.122 662 H3* G 221 H3* G 221 11.577 8.345 5.954 663 H2* G 221 H2* G 221 11.605 9.824 4.104 664 2HO* G 221 2HO* G 221 12.247 8.606 2.408 665 H1* G 221 H1* G 221 9.027 8.987 3.238 666 H8 G 221 H8 G 221 9.023 9.535 6.903 667 H1 G 221 H1 G 221 8.454 15.028 3.529 668 1H2 G 221 1H2 G 221 8.852 14.658 1.540 669 2H2 G 221 2H2 G 221 9.276 13.094 0.884 670 1H5* C 222 1H5* C 222 15.376 7.528 3.679 671 2H5* C 222 2H5* C 222 16.593 8.498 4.508 672 H4* C 222 H4* C 222 15.307 9.444 2.437 673 H3* C 222 H3* C 222 15.961 10.989 4.954 674 H2* C 222 H2* C 222 15.183 12.936 3.883 675 2HO* C 222 2HO* C 222 14.996 11.331 1.506 676 H1* C 222 H1* C 222 13.016 11.493 2.637 677 1H4 C 222 1H4 C 222 10.347 15.194 7.127 678 2H4 C 222 2H4 C 222 10.675 13.941 8.302 679 H5 C 222 H5 C 222 11.922 11.991 7.834 680 H6 C 222 H6 C 222 13.174 10.751 6.105 681 1H5* U 223 1H5* U 223 16.571 13.960 2.414 682 2H5* U 223 2H5* U 223 18.265 14.397 2.636 683 H4* U 223 H4* U 223 16.954 16.343 3.025 684 H3* U 223 H3* U 223 18.136 15.140 5.513 685 H2* U 223 H2* U 223 17.190 16.820 6.828 686 2HO* U 223 2HO* U 223 17.863 18.538 5.550 687 H1* U 223 H1* U 223 14.851 16.960 5.066 688 H3 U 223 H3 U 223 13.027 16.739 9.235 689 H5 U 223 H5 U 223 14.529 12.891 8.545 690 H6 U 223 H6 U 223 15.579 13.774 6.512 691 1H5* U 224 1H5* U 224 20.004 17.717 1.444 692 2H5* U 224 2H5* U 224 18.537 17.355 2.355 693 H4* U 224 H4* U 224 19.273 15.626 0.020 694 H3* U 224 H3* U 224 18.486 18.475 -0.198 695 H2* U 224 H2* U 224 16.727 18.057 -1.721 696 2HO* U 224 2HO* U 224 17.424 15.283 -1.630 697 H1* U 224 H1* U 224 15.558 16.025 -0.278 698 H3 U 224 H3 U 224 12.692 19.166 1.106 699 H5 U 224 H5 U 224 16.355 20.600 2.540 700 H6 U 224 H6 U 224 17.426 18.698 1.424 701 1H5* A 225 1H5* A 225 20.361 18.099 -4.497 702 2H5* A 225 2H5* A 225 20.071 19.745 -5.063 703 H4* A 225 H4* A 225 18.474 17.735 -5.699 704 H3* A 225 H3* A 225 17.725 20.603 -5.161 705 H2* A 225 H2* A 225 15.477 20.093 -5.721 706 2HO* A 225 2HO* A 225 15.146 17.861 -6.583 707 H1* A 225 H1* A 225 15.412 17.773 -4.149 708 H8 A 225 H8 A 225 17.346 20.551 -2.524 709 1H6 A 225 1H6 A 225 11.921 22.412 -0.061 710 2H6 A 225 2H6 A 225 13.651 22.669 -0.036 711 H2 A 225 H2 A 225 11.078 19.203 -3.016 712 1H5* G 226 1H5* G 226 16.703 19.104 -8.995 713 2H5* G 226 2H5* G 226 16.360 20.200 -10.334 714 H4* G 226 H4* G 226 14.447 18.771 -9.775 715 H3* G 226 H3* G 226 14.177 21.750 -9.516 716 H2* G 226 H2* G 226 11.874 21.504 -8.956 717 2HO* G 226 2HO* G 226 11.005 19.313 -9.130 718 H1* G 226 H1* G 226 12.395 19.558 -7.009 719 H8 G 226 H8 G 226 15.135 21.974 -6.683 720 H1 G 226 H1 G 226 9.604 24.197 -4.163 721 1H2 G 226 1H2 G 226 8.041 22.989 -4.757 722 2H2 G 226 2H2 G 226 8.206 21.584 -5.785 723 1H5* G 227 1H5* G 227 11.650 21.037 -13.499 724 2H5* G 227 2H5* G 227 13.029 20.025 -13.928 725 H4* G 227 H4* G 227 11.735 20.947 -15.861 726 H3* G 227 H3* G 227 14.695 21.389 -15.585 727 H2* G 227 H2* G 227 14.730 22.443 -17.722 728 2HO* G 227 2HO* G 227 12.792 22.293 -18.990 729 H1* G 227 H1* G 227 12.595 24.136 -17.111 730 H8 G 227 H8 G 227 14.722 23.671 -14.082 731 H1 G 227 H1 G 227 17.017 28.123 -18.181 732 1H2 G 227 1H2 G 227 15.967 28.034 -19.953 733 2H2 G 227 2H2 G 227 14.659 26.921 -20.280 734 1H5* A 228 1H5* A 228 13.921 19.724 -19.341 735 2H5* A 228 2H5* A 228 14.986 18.386 -19.769 736 H4* A 228 H4* A 228 15.038 19.937 -21.562 737 H3* A 228 H3* A 228 17.530 19.876 -19.899 738 H2* A 228 H2* A 228 18.553 21.499 -21.300 739 2HO* A 228 2HO* A 228 17.747 21.678 -23.346 740 H1* A 228 H1* A 228 16.327 23.205 -21.247 741 H8 A 228 H8 A 228 16.715 21.770 -17.859 742 1H6 A 228 1H6 A 228 20.970 26.196 -16.739 743 2H6 A 228 2H6 A 228 19.999 24.944 -15.998 744 H2 A 228 H2 A 228 20.043 26.227 -21.084 745 1H5* G 229 1H5* G 229 18.761 19.262 -24.098 746 2H5* G 229 2H5* G 229 19.959 17.968 -24.119 747 H4* G 229 H4* G 229 20.802 19.911 -25.281 748 H3* G 229 H3* G 229 22.175 19.164 -22.716 749 H2* G 229 H2* G 229 23.787 20.881 -23.076 750 2HO* G 229 2HO* G 229 24.018 21.594 -25.153 751 H1* G 229 H1* G 229 21.852 22.831 -23.566 752 H8 G 229 H8 G 229 20.449 20.690 -20.918 753 H1 G 229 H1 G 229 24.939 24.778 -18.678 754 1H2 G 229 1H2 G 229 25.946 25.631 -20.264 755 2H2 G 229 2H2 G 229 25.623 25.288 -21.948 756 1H5* G 230 1H5* G 230 25.440 19.372 -25.910 757 2H5* G 230 2H5* G 230 26.420 17.956 -25.531 758 H4* G 230 H4* G 230 27.770 19.986 -25.698 759 H3* G 230 H3* G 230 27.643 18.558 -23.059 760 H2* G 230 H2* G 230 29.247 20.074 -22.158 761 2HO* G 230 2HO* G 230 29.444 21.711 -24.368 762 H1* G 230 H1* G 230 27.862 22.330 -23.037 763 H8 G 230 H8 G 230 25.296 19.882 -22.015 764 H1 G 230 H1 G 230 28.042 22.870 -16.973 765 1H2 G 230 1H2 G 230 29.711 23.900 -17.608 766 2H2 G 230 2H2 G 230 30.282 23.948 -19.261 767 1H5* G 231 1H5* G 231 31.821 19.150 -24.021 768 2H5* G 231 2H5* G 231 32.616 17.579 -23.913 769 H4* G 231 H4* G 231 33.949 19.113 -22.704 770 H3* G 231 H3* G 231 32.391 17.228 -20.970 771 H2* G 231 H2* G 231 33.387 18.159 -19.017 772 2HO* G 231 2HO* G 231 35.084 19.777 -19.414 773 H1* G 231 H1* G 231 32.799 20.783 -19.758 774 H8 G 231 H8 G 231 29.966 18.640 -20.832 775 H1 G 231 H1 G 231 29.783 20.116 -14.533 776 1H2 G 231 1H2 G 231 31.573 20.975 -13.975 777 2H2 G 231 2H2 G 231 32.922 21.254 -15.052 778 1H5* C 232 1H5* C 232 36.429 16.996 -19.724 779 2H5* C 232 2H5* C 232 36.925 15.353 -19.318 780 H4* C 232 H4* C 232 37.268 16.820 -17.432 781 H3* C 232 H3* C 232 35.146 14.714 -17.130 782 H2* C 232 H2* C 232 34.821 15.358 -14.867 783 2HO* C 232 2HO* C 232 36.380 17.073 -14.109 784 H1* C 232 H1* C 232 34.718 18.104 -15.508 785 1H4 C 232 1H4 C 232 28.607 16.290 -15.100 786 2H4 C 232 2H4 C 232 28.691 15.693 -16.743 787 H5 C 232 H5 C 232 30.676 15.632 -18.021 788 H6 C 232 H6 C 232 33.093 16.132 -18.037 789 1H5* A 233 1H5* A 233 38.175 13.793 -13.767 790 2H5* A 233 2H5* A 233 38.085 12.035 -13.651 791 H4* A 233 H4* A 233 37.632 13.190 -11.515 792 H3* A 233 H3* A 233 35.552 11.397 -12.731 793 H2* A 233 H2* A 233 34.163 11.700 -10.822 794 2HO* A 233 2HO* A 233 35.985 13.495 -9.636 795 H1* A 233 H1* A 233 34.420 14.484 -10.861 796 H8 A 233 H8 A 233 34.239 13.459 -14.391 797 1H6 A 233 1H6 A 233 28.036 13.150 -13.766 798 2H6 A 233 2H6 A 233 29.347 13.133 -14.925 799 H2 A 233 H2 A 233 29.821 13.577 -9.720 800 1H5* G 234 1H5* G 234 35.993 10.237 -8.606 801 2H5* G 234 2H5* G 234 36.365 8.513 -8.596 802 H4* G 234 H4* G 234 34.650 8.860 -7.004 803 H3* G 234 H3* G 234 33.698 7.547 -9.531 804 H2* G 234 H2* G 234 31.518 7.314 -8.597 805 2HO* G 234 2HO* G 234 31.302 7.653 -6.360 806 H1* G 234 H1* G 234 31.380 9.989 -7.815 807 H8 G 234 H8 G 234 33.177 9.864 -11.056 808 H1 G 234 H1 G 234 26.755 9.415 -11.709 809 1H2 G 234 1H2 G 234 25.894 9.111 -9.860 810 2H2 G 234 2H2 G 234 26.781 8.995 -8.356 811 1H GLY 15 1H GLY 15 0.409 0.639 -2.341 812 1HA GLY 15 1HA GLY 15 1.196 -1.135 -0.355 813 2HA GLY 15 2HA GLY 15 1.936 -1.701 -1.845 814 H ARG 16 H ARG 16 3.728 -1.121 -0.082 815 HA ARG 16 HA ARG 16 4.511 1.486 0.399 816 1HB ARG 16 2HB ARG 16 6.125 -1.030 0.021 817 2HB ARG 16 3HB ARG 16 6.871 0.502 0.455 818 1HG ARG 16 2HG ARG 16 4.767 0.193 2.253 819 2HG ARG 16 3HG ARG 16 5.497 -1.407 2.114 820 1HD ARG 16 2HD ARG 16 7.066 1.115 2.621 821 2HD ARG 16 3HD ARG 16 6.475 0.056 3.901 822 HE ARG 16 HE ARG 16 7.910 -1.524 2.124 823 1HH1 ARG 16 2HH1 ARG 16 8.493 1.140 4.288 824 2HH1 ARG 16 1HH1 ARG 16 10.138 0.694 4.603 825 1HH2 ARG 16 2HH2 ARG 16 10.073 -2.122 2.531 826 2HH2 ARG 16 1HH2 ARG 16 11.036 -1.161 3.602 827 H ALA 17 H ALA 17 6.102 -0.557 -2.049 828 HA ALA 17 HA ALA 17 6.954 -0.087 -4.108 829 1HB ALA 17 1HB ALA 17 4.567 0.786 -4.391 830 2HB ALA 17 2HB ALA 17 5.266 2.393 -4.195 831 3HB ALA 17 3HB ALA 17 5.788 1.361 -5.527 832 H ARG 18 H ARG 18 7.816 1.344 -1.486 833 HA ARG 18 HA ARG 18 8.880 3.837 -1.999 834 1HB ARG 18 2HB ARG 18 9.111 1.894 0.025 835 2HB ARG 18 3HB ARG 18 10.755 2.284 -0.461 836 1HG ARG 18 2HG ARG 18 8.867 4.523 0.039 837 2HG ARG 18 3HG ARG 18 9.515 3.637 1.421 838 1HD ARG 18 2HD ARG 18 11.707 4.252 0.945 839 2HD ARG 18 3HD ARG 18 11.331 4.647 -0.732 840 HE ARG 18 HE ARG 18 11.196 6.400 1.497 841 1HH1 ARG 18 2HH1 ARG 18 9.648 5.641 -1.528 842 2HH1 ARG 18 1HH1 ARG 18 9.047 7.247 -1.773 843 1HH2 ARG 18 2HH2 ARG 18 10.409 8.518 1.186 844 2HH2 ARG 18 1HH2 ARG 18 9.481 8.884 -0.229 845 H GLY 19 H GLY 19 10.456 4.607 -3.258 846 1HA GLY 19 1HA GLY 19 12.690 4.474 -4.151 847 2HA GLY 19 2HA GLY 19 12.491 2.731 -4.265 848 H LEU 20 H LEU 20 9.756 3.055 -5.387 849 HA LEU 20 HA LEU 20 10.594 3.647 -8.137 850 1HB LEU 20 2HB LEU 20 8.734 1.735 -6.894 851 2HB LEU 20 3HB LEU 20 8.167 2.470 -8.393 852 HG LEU 20 HG LEU 20 10.897 1.446 -8.567 853 1HD1 LEU 20 1HD1 LEU 20 10.459 -0.388 -7.307 854 2HD1 LEU 20 2HD1 LEU 20 9.747 -0.939 -8.823 855 3HD1 LEU 20 3HD1 LEU 20 8.715 -0.281 -7.553 856 1HD2 LEU 20 1HD2 LEU 20 8.402 1.534 -10.155 857 2HD2 LEU 20 2HD2 LEU 20 9.521 0.214 -10.495 858 3HD2 LEU 20 3HD2 LEU 20 10.063 1.887 -10.628 859 H CYS 21 H CYS 21 9.866 5.476 -9.169 860 HA CYS 21 HA CYS 21 8.061 7.161 -7.782 861 1HB CYS 21 2HB CYS 21 9.944 7.985 -9.200 862 2HB CYS 21 3HB CYS 21 9.101 7.409 -10.624 863 H TYR 22 H TYR 22 5.983 7.783 -8.540 864 HA TYR 22 HA TYR 22 4.638 5.770 -10.220 865 1HB TYR 22 2HB TYR 22 3.595 5.463 -8.192 866 2HB TYR 22 3HB TYR 22 3.826 7.136 -7.696 867 HD1 TYR 22 HD1 TYR 22 1.968 5.185 -10.292 868 HD2 TYR 22 HD2 TYR 22 1.962 8.489 -7.611 869 HE1 TYR 22 HE1 TYR 22 -0.354 5.687 -10.926 870 HE2 TYR 22 HE2 TYR 22 -0.362 9.000 -8.237 871 HH TYR 22 HH TYR 22 -2.242 6.848 -10.236 872 H THR 23 H THR 23 5.258 9.122 -9.681 873 HA THR 23 HA THR 23 3.143 10.236 -11.181 874 HB THR 23 HB THR 23 5.911 11.342 -10.670 875 HG1 THR 23 HG1 THR 23 4.424 10.887 -8.837 876 1HG2 THR 23 1HG2 THR 23 3.399 12.706 -11.648 877 2HG2 THR 23 2HG2 THR 23 4.889 12.468 -12.562 878 3HG2 THR 23 3HG2 THR 23 4.876 13.533 -11.157 879 H CYS 24 H CYS 24 6.498 9.226 -12.111 880 HA CYS 24 HA CYS 24 5.651 9.640 -14.884 881 1HB CYS 24 2HB CYS 24 7.997 9.891 -15.471 882 2HB CYS 24 3HB CYS 24 7.566 11.040 -14.221 883 H GLY 25 H GLY 25 7.159 7.541 -12.497 884 1HA GLY 25 1HA GLY 25 6.767 5.177 -12.478 885 2HA GLY 25 2HA GLY 25 6.623 5.225 -14.229 886 H SER 26 H SER 26 9.171 6.778 -12.367 887 HA SER 26 HA SER 26 11.122 5.115 -13.789 888 1HB SER 26 2HB SER 26 11.184 7.691 -13.805 889 2HB SER 26 3HB SER 26 11.775 7.557 -12.149 890 HG SER 26 HG SER 26 12.988 6.720 -14.546 891 HA PRO 27 HA PRO 27 11.699 2.864 -9.984 892 1HB PRO 27 2HB PRO 27 13.633 1.215 -10.939 893 2HB PRO 27 3HB PRO 27 11.918 0.995 -11.302 894 1HG PRO 27 2HG PRO 27 14.060 2.260 -12.967 895 2HG PRO 27 3HG PRO 27 12.774 1.143 -13.460 896 1HD PRO 27 2HD PRO 27 12.615 3.815 -13.864 897 2HD PRO 27 3HD PRO 27 11.186 2.811 -13.548 898 H GLY 28 H GLY 28 12.611 4.579 -8.765 899 1HA GLY 28 1HA GLY 28 15.160 4.257 -7.815 900 2HA GLY 28 2HA GLY 28 15.334 5.397 -9.141 901 H HIS 29 H HIS 29 13.661 7.247 -9.047 902 HA HIS 29 HA HIS 29 13.851 8.389 -6.369 903 1HB HIS 29 2HB HIS 29 13.419 10.518 -7.410 904 2HB HIS 29 3HB HIS 29 14.630 9.672 -8.371 905 HD1 HIS 29 HD1 HIS 29 14.174 9.553 -10.805 906 HD2 HIS 29 HD2 HIS 29 10.722 10.279 -8.610 907 HE1 HIS 29 HE1 HIS 29 12.363 9.937 -12.507 908 H TYR 30 H TYR 30 11.828 10.143 -6.224 909 HA TYR 30 HA TYR 30 9.358 8.592 -6.569 910 1HB TYR 30 2HB TYR 30 10.642 9.045 -4.101 911 2HB TYR 30 3HB TYR 30 9.250 10.121 -4.131 912 HD1 TYR 30 HD1 TYR 30 10.109 6.566 -4.910 913 HD2 TYR 30 HD2 TYR 30 7.235 9.298 -3.367 914 HE1 TYR 30 HE1 TYR 30 8.647 4.680 -4.312 915 HE2 TYR 30 HE2 TYR 30 5.766 7.420 -2.764 916 HH TYR 30 HH TYR 30 6.814 4.201 -2.732 917 H GLN 31 H GLN 31 7.431 10.115 -5.837 918 HA GLN 31 HA GLN 31 7.148 12.102 -7.716 919 1HB GLN 31 2HB GLN 31 5.240 11.184 -6.545 920 2HB GLN 31 3HB GLN 31 5.807 11.854 -5.021 921 1HG GLN 31 2HG GLN 31 5.251 14.025 -5.622 922 2HG GLN 31 3HG GLN 31 5.205 13.640 -7.341 923 1HE2 GLN 31 1HE2 GLN 31 3.148 15.013 -6.455 924 2HE2 GLN 31 2HE2 GLN 31 1.736 14.031 -6.286 925 H ALA 32 H ALA 32 8.244 12.419 -4.364 926 HA ALA 32 HA ALA 32 8.395 15.197 -4.225 927 1HB ALA 32 1HB ALA 32 8.619 13.904 -2.234 928 2HB ALA 32 2HB ALA 32 10.051 13.084 -2.860 929 3HB ALA 32 3HB ALA 32 10.122 14.800 -2.459 930 H GLN 33 H GLN 33 10.506 12.885 -5.757 931 HA GLN 33 HA GLN 33 12.286 15.094 -6.554 932 1HB GLN 33 2HB GLN 33 12.888 12.228 -5.892 933 2HB GLN 33 3HB GLN 33 13.960 13.150 -6.937 934 1HG GLN 33 2HG GLN 33 14.718 14.458 -5.250 935 2HG GLN 33 3HG GLN 33 13.196 14.387 -4.362 936 1HE2 GLN 33 1HE2 GLN 33 15.818 14.054 -3.290 937 2HE2 GLN 33 2HE2 GLN 33 15.906 12.459 -2.633 938 H CYS 34 H CYS 34 9.747 14.134 -7.882 939 HA CYS 34 HA CYS 34 10.720 12.732 -10.192 940 1HB CYS 34 2HB CYS 34 8.450 12.325 -9.200 941 2HB CYS 34 3HB CYS 34 7.976 13.935 -9.707 942 HA PRO 35 HA PRO 35 11.920 16.555 -12.157 943 1HB PRO 35 2HB PRO 35 12.491 15.465 -14.576 944 2HB PRO 35 3HB PRO 35 13.558 15.308 -13.177 945 1HG PRO 35 2HG PRO 35 11.572 13.354 -14.272 946 2HG PRO 35 3HG PRO 35 13.218 13.063 -13.679 947 1HD PRO 35 2HD PRO 35 11.020 12.557 -12.182 948 2HD PRO 35 3HD PRO 35 12.560 13.078 -11.471 949 H LYS 36 H LYS 36 9.261 14.565 -12.960 950 HA LYS 36 HA LYS 36 8.323 16.396 -15.045 951 1HB LYS 36 2HB LYS 36 8.230 13.687 -14.939 952 2HB LYS 36 3HB LYS 36 6.651 14.084 -14.276 953 1HG LYS 36 2HG LYS 36 5.879 14.388 -16.324 954 2HG LYS 36 3HG LYS 36 7.034 15.702 -16.561 955 1HD LYS 36 2HD LYS 36 8.706 13.731 -17.015 956 2HD LYS 36 3HD LYS 36 7.226 12.832 -17.358 957 1HE LYS 36 2HE LYS 36 7.889 15.480 -18.629 958 2HE LYS 36 3HE LYS 36 8.329 13.929 -19.343 959 1HZ LYS 36 1HZ LYS 36 5.634 15.056 -18.907 960 2HZ LYS 36 2HZ LYS 36 5.859 13.393 -19.118 961 3HZ LYS 36 3HZ LYS 36 6.317 14.470 -20.339 962 H LYS 37 H LYS 37 8.228 16.259 -11.797 963 HA LYS 37 HA LYS 37 5.600 16.510 -10.994 964 1HB LYS 37 2HB LYS 37 8.202 17.515 -9.987 965 2HB LYS 37 3HB LYS 37 6.763 18.301 -9.354 966 1HG LYS 37 2HG LYS 37 6.334 15.497 -9.279 967 2HG LYS 37 3HG LYS 37 7.918 15.836 -8.579 968 1HD LYS 37 2HD LYS 37 6.537 16.048 -6.742 969 2HD LYS 37 3HD LYS 37 6.646 17.719 -7.303 970 1HE LYS 37 2HE LYS 37 4.516 17.541 -8.405 971 2HE LYS 37 3HE LYS 37 4.427 15.818 -8.046 972 1HZ LYS 37 1HZ LYS 37 3.068 16.974 -6.494 973 2HZ LYS 37 2HZ LYS 37 4.309 18.055 -6.102 974 3HZ LYS 37 3HZ LYS 37 4.433 16.428 -5.656 975 H ARG 38 H ARG 38 4.141 17.680 -12.093 976 HA ARG 38 HA ARG 38 3.047 19.464 -12.983 977 1HB ARG 38 2HB ARG 38 3.511 20.369 -10.696 978 2HB ARG 38 3HB ARG 38 4.960 21.128 -11.342 979 1HG ARG 38 2HG ARG 38 3.705 22.903 -11.778 980 2HG ARG 38 3HG ARG 38 2.938 21.951 -13.050 981 1HD ARG 38 2HD ARG 38 1.564 21.075 -10.907 982 2HD ARG 38 3HD ARG 38 1.942 22.714 -10.380 983 HE ARG 38 HE ARG 38 0.457 23.512 -11.926 984 1HH1 ARG 38 2HH1 ARG 38 1.219 20.201 -12.684 985 2HH1 ARG 38 1HH1 ARG 38 0.019 20.073 -13.928 986 1HH2 ARG 38 2HH2 ARG 38 -1.126 23.357 -13.561 987 2HH2 ARG 38 1HH2 ARG 38 -1.314 21.869 -14.426 988 H LYS 39 H LYS 39 4.024 18.844 -15.039 989 HA LYS 39 HA LYS 39 6.327 20.327 -15.959 990 1HB LYS 39 2HB LYS 39 5.897 17.996 -16.682 991 2HB LYS 39 3HB LYS 39 4.438 18.538 -17.501 992 1HG LYS 39 2HG LYS 39 6.530 20.169 -18.434 993 2HG LYS 39 3HG LYS 39 7.135 18.511 -18.442 994 1HD LYS 39 2HD LYS 39 4.678 18.126 -19.483 995 2HD LYS 39 3HD LYS 39 5.003 19.764 -20.053 996 1HE LYS 39 2HE LYS 39 7.372 18.432 -20.532 997 2HE LYS 39 3HE LYS 39 6.142 17.227 -20.909 998 1HZ LYS 39 1HZ LYS 39 6.005 18.238 -22.870 999 2HZ LYS 39 2HZ LYS 39 6.872 19.593 -22.347 1000 3HZ LYS 39 3HZ LYS 39 5.206 19.498 -22.075 1001 H SER 40 H SER 40 3.012 20.015 -17.246 1002 HA SER 40 HA SER 40 3.228 22.440 -18.740 1003 1HB SER 40 2HB SER 40 0.774 20.800 -18.067 1004 2HB SER 40 3HB SER 40 0.863 22.065 -19.291 1005 HG SER 40 HG SER 40 2.572 20.736 -20.256 1006 H GLY 41 H GLY 41 1.601 24.223 -18.507 1007 1HA GLY 41 1HA GLY 41 -0.001 25.122 -16.714 1008 2HA GLY 41 2HA GLY 41 1.389 24.937 -15.656 1009 H ASN 42 H ASN 42 -0.310 27.115 -17.427 1010 HA ASN 42 HA ASN 42 2.009 28.755 -18.137 1011 1HB ASN 42 2HB ASN 42 0.007 28.345 -19.710 1012 2HB ASN 42 3HB ASN 42 -0.866 29.470 -18.671 1013 1HD2 ASN 42 1HD2 ASN 42 0.952 29.204 -21.399 1014 2HD2 ASN 42 2HD2 ASN 42 1.478 30.843 -21.554 1015 H SER 43 H SER 43 2.767 29.885 -16.460 1016 HA SER 43 HA SER 43 0.822 31.324 -14.775 1017 1HB SER 43 2HB SER 43 3.599 30.511 -13.908 1018 2HB SER 43 3HB SER 43 2.276 31.095 -12.898 1019 HG SER 43 HG SER 43 1.174 29.176 -13.299 1020 H ARG 44 H ARG 44 3.939 31.445 -16.408 1021 HA ARG 44 HA ARG 44 5.288 33.173 -17.031 1022 1HB ARG 44 2HB ARG 44 2.842 33.691 -18.016 1023 2HB ARG 44 3HB ARG 44 3.044 35.112 -17.000 1024 1HG ARG 44 2HG ARG 44 4.499 36.046 -18.406 1025 2HG ARG 44 3HG ARG 44 5.383 34.536 -18.634 1026 1HD ARG 44 2HD ARG 44 3.165 33.934 -19.994 1027 2HD ARG 44 3HD ARG 44 3.139 35.686 -20.189 1028 HE ARG 44 HE ARG 44 4.897 35.505 -21.635 1029 1HH1 ARG 44 2HH1 ARG 44 4.681 32.582 -19.754 1030 2HH1 ARG 44 1HH1 ARG 44 5.906 31.756 -20.659 1031 1HH2 ARG 44 2HH2 ARG 44 6.511 34.426 -22.833 1032 2HH2 ARG 44 1HH2 ARG 44 6.947 32.806 -22.409 1033 H GLU 45 H GLU 45 4.983 32.739 -14.207 1034 HA GLU 45 HA GLU 45 6.027 35.264 -13.277 1035 1HB GLU 45 2HB GLU 45 4.470 35.531 -11.428 1036 2HB GLU 45 3HB GLU 45 3.607 35.572 -12.959 1037 1HG GLU 45 2HG GLU 45 3.054 33.155 -12.604 1038 2HG GLU 45 3HG GLU 45 3.725 33.312 -10.982 1039 H ARG 46 H ARG 46 7.004 32.560 -13.631 1040 HA ARG 46 HA ARG 46 7.412 31.673 -10.864 1041 1HB ARG 46 2HB ARG 46 6.689 30.135 -12.869 1042 2HB ARG 46 3HB ARG 46 8.408 30.152 -13.240 1043 1HG ARG 46 2HG ARG 46 8.972 29.048 -11.276 1044 2HG ARG 46 3HG ARG 46 7.440 29.450 -10.498 1045 1HD ARG 46 2HD ARG 46 6.310 27.765 -11.536 1046 2HD ARG 46 3HD ARG 46 7.335 27.817 -12.971 1047 HE ARG 46 HE ARG 46 8.708 26.259 -12.006 1048 1HH1 ARG 46 2HH1 ARG 46 6.618 27.607 -9.571 1049 2HH1 ARG 46 1HH1 ARG 46 7.095 26.476 -8.349 1050 1HH2 ARG 46 2HH2 ARG 46 9.345 24.763 -10.406 1051 2HH2 ARG 46 1HH2 ARG 46 8.647 24.860 -8.825 1052 H CYS 47 H CYS 47 9.757 30.663 -10.486 1053 HA CYS 47 HA CYS 47 11.655 32.552 -11.676 1054 1HB CYS 47 2HB CYS 47 11.171 33.150 -9.327 1055 2HB CYS 47 3HB CYS 47 11.650 31.545 -8.811 1056 H GLN 48 H GLN 48 13.063 31.459 -12.868 1057 HA GLN 48 HA GLN 48 13.450 28.593 -12.456 1058 1HB GLN 48 2HB GLN 48 13.181 30.153 -14.739 1059 2HB GLN 48 3HB GLN 48 14.897 29.769 -14.691 1060 1HG GLN 48 2HG GLN 48 14.231 27.942 -15.810 1061 2HG GLN 48 3HG GLN 48 13.885 27.341 -14.190 1062 1HE2 GLN 48 1HE2 GLN 48 12.583 28.335 -17.202 1063 2HE2 GLN 48 2HE2 GLN 48 10.927 27.988 -16.856 1064 H LEU 49 H LEU 49 14.629 30.609 -10.668 1065 HA LEU 49 HA LEU 49 17.461 29.901 -11.060 1066 1HB LEU 49 2HB LEU 49 16.299 32.482 -10.931 1067 2HB LEU 49 3HB LEU 49 17.224 32.241 -9.450 1068 HG LEU 49 HG LEU 49 18.609 31.532 -11.957 1069 1HD1 LEU 49 1HD1 LEU 49 18.070 33.426 -13.012 1070 2HD1 LEU 49 2HD1 LEU 49 19.116 34.217 -11.833 1071 3HD1 LEU 49 3HD1 LEU 49 17.375 34.147 -11.561 1072 1HD2 LEU 49 1HD2 LEU 49 19.618 33.357 -9.825 1073 2HD2 LEU 49 2HD2 LEU 49 20.486 32.165 -10.794 1074 3HD2 LEU 49 3HD2 LEU 49 19.436 31.637 -9.476 1075 H CYS 50 H CYS 50 14.784 30.514 -8.741 1076 HA CYS 50 HA CYS 50 16.358 28.976 -6.812 1077 1HB CYS 50 2HB CYS 50 15.783 30.377 -5.016 1078 2HB CYS 50 3HB CYS 50 16.261 31.477 -6.292 1079 H ASN 51 H ASN 51 14.095 28.684 -8.892 1080 HA ASN 51 HA ASN 51 12.183 27.480 -9.161 1081 1HB ASN 51 2HB ASN 51 13.633 26.226 -7.020 1082 2HB ASN 51 3HB ASN 51 11.904 26.098 -6.709 1083 1HD2 ASN 51 1HD2 ASN 51 13.727 26.104 -9.742 1084 2HD2 ASN 51 2HD2 ASN 51 13.175 24.557 -10.278 1085 H GLY 52 H GLY 52 12.234 30.098 -7.615 1086 1HA GLY 52 1HA GLY 52 10.187 30.031 -5.664 1087 2HA GLY 52 2HA GLY 52 10.743 31.461 -6.520 1088 H MET 53 H MET 53 8.053 30.959 -5.802 1089 HA MET 53 HA MET 53 6.846 30.699 -8.477 1090 1HB MET 53 2HB MET 53 6.320 28.765 -6.996 1091 2HB MET 53 3HB MET 53 5.565 29.880 -5.865 1092 1HG MET 53 2HG MET 53 4.297 30.505 -8.193 1093 2HG MET 53 3HG MET 53 4.561 28.772 -8.374 1094 1HE MET 53 1HE MET 53 2.036 29.305 -8.717 1095 2HE MET 53 2HE MET 53 1.789 27.760 -7.906 1096 3HE MET 53 3HE MET 53 0.851 29.173 -7.418 1097 H GLY 54 H GLY 54 6.642 32.839 -8.963 1098 1HA GLY 54 1HA GLY 54 4.557 34.368 -8.469 1099 2HA GLY 54 2HA GLY 54 5.453 34.635 -6.981 1100 H HIS 55 H HIS 55 7.959 35.009 -7.604 1101 HA HIS 55 HA HIS 55 7.911 37.452 -9.168 1102 1HB HIS 55 2HB HIS 55 10.215 37.760 -8.321 1103 2HB HIS 55 3HB HIS 55 9.058 37.490 -7.021 1104 HD1 HIS 55 HD1 HIS 55 9.045 34.960 -6.046 1105 HD2 HIS 55 HD2 HIS 55 12.350 36.074 -8.304 1106 HE1 HIS 55 HE1 HIS 55 10.830 33.276 -5.500 1107 H ASN 56 H ASN 56 10.333 37.695 -10.265 1108 HA ASN 56 HA ASN 56 10.486 35.462 -12.182 1109 1HB ASN 56 2HB ASN 56 10.625 38.432 -12.590 1110 2HB ASN 56 3HB ASN 56 11.435 37.352 -13.720 1111 1HD2 ASN 56 1HD2 ASN 56 9.992 35.483 -14.457 1112 2HD2 ASN 56 2HD2 ASN 56 8.383 35.916 -14.913 1113 H ALA 57 H ALA 57 12.549 34.919 -13.014 1114 HA ALA 57 HA ALA 57 14.621 34.852 -11.151 1115 1HB ALA 57 1HB ALA 57 14.674 33.187 -12.781 1116 2HB ALA 57 2HB ALA 57 14.528 34.345 -14.103 1117 3HB ALA 57 3HB ALA 57 16.037 34.225 -13.199 1118 H LYS 58 H LYS 58 13.989 37.094 -13.791 1119 HA LYS 58 HA LYS 58 16.461 38.431 -13.780 1120 1HB LYS 58 2HB LYS 58 14.455 38.565 -15.444 1121 2HB LYS 58 3HB LYS 58 13.887 39.848 -14.383 1122 1HG LYS 58 2HG LYS 58 16.694 40.074 -15.213 1123 2HG LYS 58 3HG LYS 58 15.507 40.223 -16.512 1124 1HD LYS 58 2HD LYS 58 14.600 42.143 -15.647 1125 2HD LYS 58 3HD LYS 58 15.044 41.733 -13.988 1126 1HE LYS 58 2HE LYS 58 17.026 42.503 -16.124 1127 2HE LYS 58 3HE LYS 58 16.324 43.643 -14.977 1128 1HZ LYS 58 1HZ LYS 58 18.132 43.100 -13.783 1129 2HZ LYS 58 2HZ LYS 58 18.358 41.616 -14.565 1130 3HZ LYS 58 3HZ LYS 58 17.214 41.755 -13.326 1131 H GLN 59 H GLN 59 13.807 38.522 -11.595 1132 HA GLN 59 HA GLN 59 14.988 40.859 -10.244 1133 1HB GLN 59 2HB GLN 59 12.496 40.808 -11.174 1134 2HB GLN 59 3HB GLN 59 12.200 39.999 -9.642 1135 1HG GLN 59 2HG GLN 59 13.258 41.923 -8.486 1136 2HG GLN 59 3HG GLN 59 13.372 42.739 -10.044 1137 1HE2 GLN 59 1HE2 GLN 59 12.088 44.291 -8.646 1138 2HE2 GLN 59 2HE2 GLN 59 10.369 44.147 -8.722 1139 H CYS 60 H CYS 60 15.430 37.733 -10.061 1140 HA CYS 60 HA CYS 60 14.617 37.324 -7.320 1141 1HB CYS 60 2HB CYS 60 14.393 35.482 -8.946 1142 2HB CYS 60 3HB CYS 60 16.123 35.502 -9.227 1143 H ARG 61 H ARG 61 15.899 37.959 -5.723 1144 HA ARG 61 HA ARG 61 18.553 38.943 -6.176 1145 1HB ARG 61 2HB ARG 61 16.770 38.695 -3.775 1146 2HB ARG 61 3HB ARG 61 18.469 39.107 -3.579 1147 1HG ARG 61 2HG ARG 61 18.129 41.036 -5.094 1148 2HG ARG 61 3HG ARG 61 16.409 40.648 -5.139 1149 1HD ARG 61 2HD ARG 61 16.142 41.885 -3.314 1150 2HD ARG 61 3HD ARG 61 17.104 40.702 -2.429 1151 HE ARG 61 HE ARG 61 18.837 42.467 -3.747 1152 1HH1 ARG 61 2HH1 ARG 61 16.531 42.441 -1.139 1153 2HH1 ARG 61 1HH1 ARG 61 17.315 43.713 -0.260 1154 1HH2 ARG 61 2HH2 ARG 61 19.878 44.142 -2.600 1155 2HH2 ARG 61 1HH2 ARG 61 19.217 44.680 -1.093 1156 H LYS 62 H LYS 62 20.384 38.258 -4.741 1157 HA LYS 62 HA LYS 62 20.471 35.319 -4.620 1158 1HB LYS 62 2HB LYS 62 22.075 36.386 -6.167 1159 2HB LYS 62 3HB LYS 62 22.759 37.287 -4.820 1160 1HG LYS 62 2HG LYS 62 24.242 35.557 -4.982 1161 2HG LYS 62 3HG LYS 62 23.109 34.906 -3.795 1162 1HD LYS 62 2HD LYS 62 22.236 33.383 -5.262 1163 2HD LYS 62 3HD LYS 62 22.566 34.391 -6.673 1164 1HE LYS 62 2HE LYS 62 24.632 33.536 -6.956 1165 2HE LYS 62 3HE LYS 62 24.945 33.452 -5.223 1166 1HZ LYS 62 1HZ LYS 62 24.579 31.286 -5.334 1167 2HZ LYS 62 2HZ LYS 62 24.166 31.385 -6.971 1168 3HZ LYS 62 3HZ LYS 62 22.975 31.577 -5.786 1169 H ARG 63 H ARG 63 22.132 38.032 -2.998 1170 HA ARG 63 HA ARG 63 21.222 37.350 -0.411 1171 1HB ARG 63 2HB ARG 63 22.667 35.416 -0.655 1172 2HB ARG 63 3HB ARG 63 24.013 36.443 -1.129 1173 1HG ARG 63 2HG ARG 63 24.448 37.100 0.998 1174 2HG ARG 63 3HG ARG 63 22.759 36.982 1.497 1175 1HD ARG 63 2HD ARG 63 24.305 35.280 2.513 1176 2HD ARG 63 3HD ARG 63 22.890 34.622 1.690 1177 HE ARG 63 HE ARG 63 24.283 33.621 0.173 1178 1HH1 ARG 63 2HH1 ARG 63 26.064 36.031 1.944 1179 2HH1 ARG 63 1HH1 ARG 63 27.599 35.567 1.286 1180 1HH2 ARG 63 2HH2 ARG 63 26.297 33.001 -0.700 1181 2HH2 ARG 63 1HH2 ARG 63 27.730 33.845 -0.218 1182 H ASP 64 H ASP 64 24.459 38.338 -1.511 1183 HA ASP 64 HA ASP 64 23.935 41.121 -1.032 1184 1HB ASP 64 2HB ASP 64 24.241 40.617 1.257 1185 2HB ASP 64 3HB ASP 64 25.574 39.517 0.920 Start of MODEL 12 1 1H5* C 160 1H5* C 160 26.614 28.491 -19.087 2 2H5* C 160 2H5* C 160 25.511 27.350 -18.318 3 H4* C 160 H4* C 160 27.521 26.202 -18.353 4 H3* C 160 H3* C 160 27.152 27.488 -15.659 5 H2* C 160 H2* C 160 29.152 26.442 -14.902 6 2HO* C 160 2HO* C 160 30.154 24.954 -16.544 7 H1* C 160 H1* C 160 30.615 27.248 -17.154 8 1H4 C 160 1H4 C 160 31.880 31.786 -12.858 9 2H4 C 160 2H4 C 160 30.305 32.495 -13.137 10 H5 C 160 H5 C 160 28.666 31.544 -14.547 11 H6 C 160 H6 C 160 28.130 29.662 -16.053 12 1H5* U 161 1H5* U 161 27.591 23.208 -14.850 13 2H5* U 161 2H5* U 161 26.528 22.763 -13.515 14 H4* U 161 H4* U 161 28.845 22.198 -13.034 15 H3* U 161 H3* U 161 27.546 24.300 -11.315 16 H2* U 161 H2* U 161 29.475 24.337 -9.929 17 2HO* U 161 2HO* U 161 30.427 22.391 -9.834 18 H1* U 161 H1* U 161 31.247 24.487 -12.103 19 H3 U 161 H3 U 161 31.395 28.522 -9.934 20 H5 U 161 H5 U 161 28.088 28.774 -12.491 21 H6 U 161 H6 U 161 28.375 26.381 -12.938 22 1H5* G 162 1H5* G 162 28.901 21.066 -8.502 23 2H5* G 162 2H5* G 162 27.539 20.850 -7.404 24 H4* G 162 H4* G 162 29.578 21.176 -6.153 25 H3* G 162 H3* G 162 27.509 23.343 -5.965 26 H2* G 162 H2* G 162 28.843 24.488 -4.356 27 2HO* G 162 2HO* G 162 30.317 23.266 -3.271 28 H1* G 162 H1* G 162 31.150 24.356 -5.922 29 H8 G 162 H8 G 162 28.301 24.874 -8.229 30 H1 G 162 H1 G 162 30.160 30.318 -5.265 31 1H2 G 162 1H2 G 162 31.468 29.859 -3.738 32 2H2 G 162 2H2 G 162 31.983 28.240 -3.322 33 1H5* C 163 1H5* C 163 28.393 22.308 -2.171 34 2H5* C 163 2H5* C 163 27.061 22.200 -1.020 35 H4* C 163 H4* C 163 28.642 23.858 -0.281 36 H3* C 163 H3* C 163 25.979 24.929 -1.202 37 H2* C 163 H2* C 163 26.621 27.086 -0.455 38 2HO* C 163 2HO* C 163 29.149 26.341 0.426 39 H1* C 163 H1* C 163 29.212 26.832 -1.615 40 1H4 C 163 1H4 C 163 25.945 30.560 -5.645 41 2H4 C 163 2H4 C 163 25.217 29.133 -6.348 42 H5 C 163 H5 C 163 25.529 26.948 -5.509 43 H6 C 163 H6 C 163 26.628 25.579 -3.772 44 1H5* C 164 1H5* C 164 26.699 26.207 2.613 45 2H5* C 164 2H5* C 164 25.352 26.123 3.748 46 H4* C 164 H4* C 164 26.102 28.349 3.801 47 H3* C 164 H3* C 164 23.581 28.055 2.182 48 H2* C 164 H2* C 164 23.487 30.412 1.930 49 2HO* C 164 2HO* C 164 24.308 31.457 3.646 50 H1* C 164 H1* C 164 26.257 30.572 1.305 51 1H4 C 164 1H4 C 164 23.279 30.974 -4.331 52 2H4 C 164 2H4 C 164 23.099 29.234 -4.344 53 H5 C 164 H5 C 164 23.707 27.834 -2.543 54 H6 C 164 H6 C 164 24.648 27.758 -0.261 55 1H5* C 165 1H5* C 165 22.659 30.877 5.205 56 2H5* C 165 2H5* C 165 21.060 30.603 5.895 57 H4* C 165 H4* C 165 21.128 32.836 5.082 58 H3* C 165 H3* C 165 19.474 30.983 3.378 59 H2* C 165 H2* C 165 18.774 32.842 2.079 60 2HO* C 165 2HO* C 165 19.038 34.894 2.980 61 H1* C 165 H1* C 165 21.413 33.869 1.902 62 1H4 C 165 1H4 C 165 20.482 30.910 -3.676 63 2H4 C 165 2H4 C 165 20.770 29.369 -2.899 64 H5 C 165 H5 C 165 21.095 29.107 -0.575 65 H6 C 165 H6 C 165 21.227 30.272 1.599 66 1H5* U 166 1H5* U 166 16.695 34.088 4.432 67 2H5* U 166 2H5* U 166 15.329 33.299 5.221 68 H4* U 166 H4* U 166 14.321 34.625 3.613 69 H3* U 166 H3* U 166 14.586 31.814 2.580 70 H2* U 166 H2* U 166 13.419 32.436 0.603 71 2HO* U 166 2HO* U 166 13.030 35.058 0.968 72 H1* U 166 H1* U 166 14.994 34.703 0.169 73 H3 U 166 H3 U 166 16.384 31.860 -3.078 74 H5 U 166 H5 U 166 18.173 30.367 0.402 75 H6 U 166 H6 U 166 16.857 32.007 1.664 76 1H5* C 167 1H5* C 167 10.066 32.432 2.750 77 2H5* C 167 2H5* C 167 9.365 30.817 2.667 78 H4* C 167 H4* C 167 8.913 32.356 0.711 79 H3* C 167 H3* C 167 10.026 29.578 0.366 80 H2* C 167 H2* C 167 9.820 29.816 -1.987 81 2HO* C 167 2HO* C 167 8.027 30.980 -2.381 82 H1* C 167 H1* C 167 10.996 32.372 -2.001 83 1H4 C 167 1H4 C 167 15.748 28.338 -3.418 84 2H4 C 167 2H4 C 167 16.014 28.085 -1.708 85 H5 C 167 H5 C 167 14.628 28.976 -0.016 86 H6 C 167 H6 C 167 12.625 30.342 0.456 87 1H5* A 168 1H5* A 168 6.404 27.420 -2.329 88 2H5* A 168 2H5* A 168 5.806 28.855 -3.160 89 H4* A 168 H4* A 168 3.663 28.630 -2.309 90 H3* A 168 H3* A 168 4.917 27.499 0.072 91 H2* A 168 H2* A 168 4.057 25.398 -0.311 92 2HO* A 168 2HO* A 168 2.639 26.500 1.192 93 H1* A 168 H1* A 168 2.064 26.732 -2.227 94 H8 A 168 H8 A 168 4.530 24.153 -3.333 95 1H6 A 168 1H6 A 168 -0.239 20.131 -3.530 96 2H6 A 168 2H6 A 168 1.446 20.354 -3.948 97 H2 A 168 H2 A 168 -1.651 23.866 -1.584 98 1H5* U 169 1H5* U 169 6.198 31.380 -0.658 99 2H5* U 169 2H5* U 169 5.284 32.017 0.709 100 H4* U 169 H4* U 169 3.777 32.980 -1.300 101 H3* U 169 H3* U 169 6.489 32.536 -2.520 102 H2* U 169 H2* U 169 6.372 34.622 -3.601 103 2HO* U 169 2HO* U 169 3.681 34.831 -2.634 104 H1* U 169 H1* U 169 5.123 35.817 -1.266 105 H3 U 169 H3 U 169 8.651 38.583 -1.863 106 H5 U 169 H5 U 169 10.417 34.958 -0.735 107 H6 U 169 H6 U 169 8.189 33.943 -0.871 108 1H5* C 170 1H5* C 170 4.966 29.442 -5.570 109 2H5* C 170 2H5* C 170 4.471 29.960 -7.182 110 H4* C 170 H4* C 170 2.970 28.263 -6.589 111 H3* C 170 H3* C 170 1.765 30.994 -6.307 112 H2* C 170 H2* C 170 -0.305 30.052 -5.631 113 2HO* C 170 2HO* C 170 0.768 27.434 -5.831 114 H1* C 170 H1* C 170 0.983 28.263 -3.825 115 1H4 C 170 1H4 C 170 -1.438 33.034 -0.297 116 2H4 C 170 2H4 C 170 0.090 33.868 -0.468 117 H5 C 170 H5 C 170 1.847 33.123 -1.858 118 H6 C 170 H6 C 170 2.578 31.375 -3.443 119 1H5* C 171 1H5* C 171 -1.727 29.307 -7.322 120 2H5* C 171 2H5* C 171 -2.237 30.227 -8.738 121 H4* C 171 H4* C 171 -3.875 30.483 -7.009 122 H3* C 171 H3* C 171 -2.239 32.944 -7.583 123 H2* C 171 H2* C 171 -3.611 34.182 -6.092 124 2HO* C 171 2HO* C 171 -5.584 33.205 -5.428 125 H1* C 171 H1* C 171 -3.475 32.235 -4.073 126 1H4 C 171 1H4 C 171 1.147 36.303 -2.441 127 2H4 C 171 2H4 C 171 2.137 35.731 -3.765 128 H5 C 171 H5 C 171 1.412 34.146 -5.359 129 H6 C 171 H6 C 171 -0.459 32.706 -6.082 130 1H5* G 172 1H5* G 172 -6.230 34.044 -7.979 131 2H5* G 172 2H5* G 172 -6.563 34.867 -9.503 132 H4* G 172 H4* G 172 -7.434 36.308 -7.911 133 H3* G 172 H3* G 172 -4.697 37.224 -8.738 134 H2* G 172 H2* G 172 -4.908 39.138 -7.334 135 2HO* G 172 2HO* G 172 -7.037 39.406 -6.300 136 H1* G 172 H1* G 172 -5.692 37.642 -5.116 137 H8 G 172 H8 G 172 -3.110 35.996 -7.344 138 H1 G 172 H1 G 172 -0.641 39.676 -2.628 139 1H2 G 172 1H2 G 172 -2.163 40.693 -1.680 140 2H2 G 172 2H2 G 172 -3.857 40.568 -2.100 141 1H5* U 173 1H5* U 173 -7.065 40.363 -8.850 142 2H5* U 173 2H5* U 173 -7.142 41.312 -10.334 143 H4* U 173 H4* U 173 -6.656 42.904 -8.733 144 H3* U 173 H3* U 173 -4.085 42.020 -10.028 145 H2* U 173 H2* U 173 -2.913 43.654 -8.766 146 2HO* U 173 2HO* U 173 -4.119 45.328 -7.870 147 H1* U 173 H1* U 173 -4.180 42.949 -6.358 148 H3 U 173 H3 U 173 0.059 41.507 -5.686 149 H5 U 173 H5 U 173 -1.526 38.720 -8.380 150 H6 U 173 H6 U 173 -3.513 40.150 -8.535 151 1H5* C 174 1H5* C 174 -4.229 46.061 -10.255 152 2H5* C 174 2H5* C 174 -3.861 46.777 -11.824 153 H4* C 174 H4* C 174 -2.387 47.822 -10.358 154 H3* C 174 H3* C 174 -0.989 45.589 -11.819 155 H2* C 174 H2* C 174 1.062 46.250 -10.810 156 2HO* C 174 2HO* C 174 1.064 48.406 -10.567 157 H1* C 174 H1* C 174 -0.082 46.404 -8.243 158 1H4 C 174 1H4 C 174 2.569 40.603 -8.405 159 2H4 C 174 2H4 C 174 1.214 40.013 -9.342 160 H5 C 174 H5 C 174 -0.532 41.389 -10.140 161 H6 C 174 H6 C 174 -1.415 43.692 -10.238 162 1H5* U 175 1H5* U 175 -1.418 50.038 -13.712 163 2H5* U 175 2H5* U 175 -3.120 50.469 -13.876 164 H4* U 175 H4* U 175 -2.196 48.878 -16.130 165 H3* U 175 H3* U 175 -0.526 51.240 -15.360 166 H2* U 175 H2* U 175 -0.440 51.983 -17.614 167 2HO* U 175 2HO* U 175 -0.950 50.490 -19.209 168 H1* U 175 H1* U 175 -3.172 51.797 -18.028 169 H3 U 175 H3 U 175 -2.058 56.234 -17.559 170 H5 U 175 H5 U 175 -2.802 54.848 -13.678 171 H6 U 175 H6 U 175 -2.882 52.581 -14.609 172 1H5* C 176 1H5* C 176 1.642 48.239 -13.439 173 2H5* C 176 2H5* C 176 1.524 49.984 -13.658 174 H4* C 176 H4* C 176 3.680 50.355 -13.066 175 H3* C 176 H3* C 176 4.337 47.821 -14.511 176 H2* C 176 H2* C 176 6.297 47.504 -13.212 177 2HO* C 176 2HO* C 176 6.095 49.620 -11.521 178 H1* C 176 H1* C 176 5.033 47.879 -10.777 179 1H4 C 176 1H4 C 176 4.587 41.596 -11.868 180 2H4 C 176 2H4 C 176 3.105 41.877 -12.754 181 H5 C 176 H5 C 176 2.255 44.025 -13.245 182 H6 C 176 H6 C 176 2.620 46.456 -13.005 183 1H5* G 177 1H5* G 177 7.973 50.022 -14.623 184 2H5* G 177 2H5* G 177 8.468 50.220 -16.304 185 H4* G 177 H4* G 177 10.347 49.383 -15.161 186 H3* G 177 H3* G 177 8.981 47.348 -16.873 187 H2* G 177 H2* G 177 10.570 45.682 -16.260 188 2HO* G 177 2HO* G 177 12.306 46.520 -14.754 189 H1* G 177 H1* G 177 10.274 46.162 -13.526 190 H8 G 177 H8 G 177 6.901 46.560 -14.931 191 H1 G 177 H1 G 177 8.637 40.347 -14.425 192 1H2 G 177 1H2 G 177 10.659 40.226 -14.037 193 2H2 G 177 2H2 G 177 11.725 41.602 -13.871 194 1H5* C 178 1H5* C 178 13.108 47.095 -17.975 195 2H5* C 178 2H5* C 178 13.260 47.077 -19.733 196 H4* C 178 H4* C 178 14.387 45.166 -18.800 197 H3* C 178 H3* C 178 11.914 44.608 -20.406 198 H2* C 178 H2* C 178 12.236 42.272 -20.142 199 2HO* C 178 2HO* C 178 14.284 41.598 -19.240 200 H1* C 178 H1* C 178 12.729 42.510 -17.367 201 1H4 C 178 1H4 C 178 6.607 40.740 -17.782 202 2H4 C 178 2H4 C 178 6.163 42.401 -18.104 203 H5 C 178 H5 C 178 7.723 44.148 -18.402 204 H6 C 178 H6 C 178 10.121 44.736 -18.465 205 1H5* U 179 1H5* U 179 15.121 42.415 -22.896 206 2H5* U 179 2H5* U 179 14.427 42.464 -24.516 207 H4* U 179 H4* U 179 14.812 40.174 -23.541 208 H3* U 179 H3* U 179 12.135 41.031 -24.617 209 H2* U 179 H2* U 179 11.312 38.828 -24.284 210 2HO* U 179 2HO* U 179 13.541 37.708 -23.162 211 H1* U 179 H1* U 179 12.334 38.649 -21.677 212 H3 U 179 H3 U 179 7.719 38.897 -21.582 213 H5 U 179 H5 U 179 9.099 42.848 -21.425 214 H6 U 179 H6 U 179 11.337 41.982 -21.936 215 1H5* U 180 1H5* U 180 13.111 37.651 -26.348 216 2H5* U 180 2H5* U 180 12.921 37.445 -28.089 217 H4* U 180 H4* U 180 11.675 35.729 -27.023 218 H3* U 180 H3* U 180 10.014 37.885 -28.278 219 H2* U 180 H2* U 180 8.016 36.777 -27.645 220 2HO* U 180 2HO* U 180 8.164 34.600 -27.210 221 H1* U 180 H1* U 180 8.954 36.309 -25.008 222 H3 U 180 H3 U 180 5.499 39.153 -24.316 223 H5 U 180 H5 U 180 8.468 41.579 -26.001 224 H6 U 180 H6 U 180 9.778 39.542 -26.379 225 1H5* A 181 1H5* A 181 9.920 34.867 -32.121 226 2H5* A 181 2H5* A 181 9.509 36.121 -33.292 227 H4* A 181 H4* A 181 7.739 34.376 -32.821 228 H3* A 181 H3* A 181 7.202 37.333 -32.681 229 H2* A 181 H2* A 181 4.900 36.888 -32.298 230 2HO* A 181 2HO* A 181 4.410 34.453 -32.359 231 H1* A 181 H1* A 181 5.402 34.982 -30.313 232 H8 A 181 H8 A 181 7.829 37.833 -30.123 233 1H6 A 181 1H6 A 181 3.644 40.710 -26.494 234 2H6 A 181 2H6 A 181 5.281 40.788 -27.106 235 H2 A 181 H2 A 181 1.750 37.058 -28.175 236 1H5* U 182 1H5* U 182 5.422 34.517 -36.306 237 2H5* U 182 2H5* U 182 4.992 35.735 -37.506 238 H4* U 182 H4* U 182 2.689 34.960 -35.911 239 H3* U 182 H3* U 182 4.338 32.744 -37.047 240 H2* U 182 H2* U 182 2.421 31.674 -37.950 241 2HO* U 182 2HO* U 182 0.458 33.382 -37.320 242 H1* U 182 H1* U 182 1.437 33.929 -39.197 243 H3 U 182 H3 U 182 3.269 31.546 -42.600 244 H5 U 182 H5 U 182 6.554 33.372 -40.750 245 H6 U 182 H6 U 182 5.019 34.122 -38.989 246 1H5* U 183 1H5* U 183 1.655 28.500 -35.469 247 2H5* U 183 2H5* U 183 2.146 29.413 -36.896 248 H4* U 183 H4* U 183 -0.180 30.510 -36.766 249 H3* U 183 H3* U 183 -0.457 28.629 -34.552 250 H2* U 183 H2* U 183 -1.567 27.075 -35.837 251 2HO* U 183 2HO* U 183 -3.463 29.180 -36.214 252 H1* U 183 H1* U 183 -2.076 29.333 -37.851 253 H3 U 183 H3 U 183 -1.207 24.241 -39.183 254 H5 U 183 H5 U 183 -4.041 26.692 -41.054 255 H6 U 183 H6 U 183 -3.385 28.470 -39.499 256 1H5* C 184 1H5* C 184 -2.859 33.142 -32.309 257 2H5* C 184 2H5* C 184 -3.244 31.698 -31.373 258 H4* C 184 H4* C 184 -5.169 33.208 -33.154 259 H3* C 184 H3* C 184 -4.763 33.246 -30.160 260 H2* C 184 H2* C 184 -7.050 33.594 -29.884 261 2HO* C 184 2HO* C 184 -7.659 34.054 -32.554 262 H1* C 184 H1* C 184 -7.591 32.044 -32.336 263 1H4 C 184 1H4 C 184 -8.919 28.639 -26.728 264 2H4 C 184 2H4 C 184 -10.331 28.478 -27.749 265 H5 C 184 H5 C 184 -10.540 29.485 -29.874 266 H6 C 184 H6 C 184 -9.435 30.910 -31.561 267 1H5* G 185 1H5* G 185 -6.051 37.926 -28.876 268 2H5* G 185 2H5* G 185 -6.634 38.864 -30.251 269 H4* G 185 H4* G 185 -4.091 39.042 -28.761 270 H3* G 185 H3* G 185 -5.988 40.939 -30.101 271 H2* G 185 H2* G 185 -4.256 42.566 -30.290 272 2HO* G 185 2HO* G 185 -2.301 40.863 -29.224 273 H1* G 185 H1* G 185 -2.452 40.762 -31.421 274 H8 G 185 H8 G 185 -2.682 42.581 -33.277 275 H1 G 185 H1 G 185 -8.581 40.389 -34.781 276 1H2 G 185 1H2 G 185 -9.210 39.056 -33.339 277 2H2 G 185 2H2 G 185 -8.277 38.599 -31.931 278 1H5* G 186 1H5* G 186 -5.659 43.003 -24.745 279 2H5* G 186 2H5* G 186 -6.365 44.260 -25.759 280 H4* G 186 H4* G 186 -3.542 44.145 -24.686 281 H3* G 186 H3* G 186 -5.964 45.748 -23.956 282 H2* G 186 H2* G 186 -4.607 47.648 -23.481 283 2HO* G 186 2HO* G 186 -2.172 46.788 -24.195 284 H1* G 186 H1* G 186 -3.251 47.503 -25.915 285 H8 G 186 H8 G 186 -6.853 46.545 -26.313 286 H1 G 186 H1 G 186 -5.809 52.929 -26.523 287 1H2 G 186 1H2 G 186 -3.863 53.326 -25.971 288 2H2 G 186 2H2 G 186 -2.689 52.112 -25.517 289 1H5* G 187 1H5* G 187 -4.186 42.560 -19.686 290 2H5* G 187 2H5* G 187 -3.481 43.575 -20.944 291 H4* G 187 H4* G 187 -5.731 41.705 -21.617 292 H3* G 187 H3* G 187 -2.910 40.892 -21.013 293 H2* G 187 H2* G 187 -2.926 39.372 -22.848 294 2HO* G 187 2HO* G 187 -5.132 39.455 -24.040 295 H1* G 187 H1* G 187 -3.868 41.285 -24.646 296 H8 G 187 H8 G 187 -1.587 43.117 -22.422 297 H1 G 187 H1 G 187 1.578 39.503 -26.758 298 1H2 G 187 1H2 G 187 0.258 38.209 -27.670 299 2H2 G 187 2H2 G 187 -1.452 38.115 -27.313 300 1H5* G 188 1H5* G 188 -4.627 37.289 -22.253 301 2H5* G 188 2H5* G 188 -4.705 36.333 -20.774 302 H4* G 188 H4* G 188 -3.816 34.851 -22.312 303 H3* G 188 H3* G 188 -1.590 36.091 -20.716 304 H2* G 188 H2* G 188 -0.020 34.694 -21.839 305 2HO* G 188 2HO* G 188 -1.325 33.301 -23.570 306 H1* G 188 H1* G 188 -1.006 35.345 -24.372 307 H8 G 188 H8 G 188 -1.189 38.466 -22.442 308 H1 G 188 H1 G 188 4.849 37.087 -24.317 309 1H2 G 188 1H2 G 188 4.928 35.147 -25.012 310 2H2 G 188 2H2 G 188 3.562 34.056 -25.077 311 1H5* A 189 1H5* A 189 -0.500 31.740 -20.623 312 2H5* A 189 2H5* A 189 -0.053 31.569 -18.925 313 H4* A 189 H4* A 189 1.739 30.910 -20.497 314 H3* A 189 H3* A 189 2.230 33.136 -18.531 315 H2* A 189 H2* A 189 4.511 33.191 -19.201 316 2HO* A 189 2HO* A 189 5.310 31.370 -20.182 317 H1* A 189 H1* A 189 3.861 33.191 -21.939 318 H8 A 189 H8 A 189 1.535 35.357 -19.965 319 1H6 A 189 1H6 A 189 5.668 39.965 -20.769 320 2H6 A 189 2H6 A 189 4.058 39.588 -20.197 321 H2 A 189 H2 A 189 7.510 36.181 -22.193 322 1H5* G 190 1H5* G 190 5.454 29.801 -17.420 323 2H5* G 190 2H5* G 190 5.537 30.116 -15.688 324 H4* G 190 H4* G 190 7.729 30.185 -16.880 325 H3* G 190 H3* G 190 6.748 32.517 -15.259 326 H2* G 190 H2* G 190 8.814 33.645 -15.632 327 2HO* G 190 2HO* G 190 10.476 32.279 -15.923 328 H1* G 190 H1* G 190 8.743 33.227 -18.389 329 H8 G 190 H8 G 190 5.248 33.834 -17.405 330 H1 G 190 H1 G 190 8.735 39.282 -17.626 331 1H2 G 190 1H2 G 190 10.738 38.812 -17.774 332 2H2 G 190 2H2 G 190 11.377 37.184 -17.830 333 1H5* C 191 1H5* C 191 10.557 31.484 -13.093 334 2H5* C 191 2H5* C 191 10.254 31.971 -11.426 335 H4* C 191 H4* C 191 12.126 33.167 -12.605 336 H3* C 191 H3* C 191 9.867 34.653 -11.279 337 H2* C 191 H2* C 191 10.983 36.703 -11.719 338 2HO* C 191 2HO* C 191 13.185 36.589 -12.312 339 H1* C 191 H1* C 191 11.521 36.031 -14.396 340 1H4 C 191 1H4 C 191 6.185 39.560 -14.540 341 2H4 C 191 2H4 C 191 5.251 38.097 -14.327 342 H5 C 191 H5 C 191 6.204 35.976 -13.914 343 H6 C 191 H6 C 191 8.310 34.725 -13.599 344 1H5* G 192 1H5* G 192 13.526 36.141 -8.969 345 2H5* G 192 2H5* G 192 12.949 36.013 -7.307 346 H4* G 192 H4* G 192 13.832 38.233 -7.775 347 H3* G 192 H3* G 192 10.906 37.991 -7.141 348 H2* G 192 H2* G 192 10.705 40.366 -7.171 349 2HO* G 192 2HO* G 192 13.227 41.031 -7.933 350 H1* G 192 H1* G 192 11.992 40.612 -9.637 351 H8 G 192 H8 G 192 9.901 37.530 -9.665 352 H1 G 192 H1 G 192 6.526 42.926 -10.838 353 1H2 G 192 1H2 G 192 7.701 44.573 -10.442 354 2H2 G 192 2H2 G 192 9.355 44.503 -9.877 355 1H5* G 193 1H5* G 193 12.675 40.660 -4.172 356 2H5* G 193 2H5* G 193 11.837 40.541 -2.626 357 H4* G 193 H4* G 193 11.820 42.816 -3.594 358 H3* G 193 H3* G 193 9.238 41.398 -3.014 359 H2* G 193 H2* G 193 8.021 43.350 -3.634 360 2HO* G 193 2HO* G 193 9.921 45.016 -4.458 361 H1* G 193 H1* G 193 9.393 43.649 -6.045 362 H8 G 193 H8 G 193 9.000 40.017 -5.593 363 H1 G 193 H1 G 193 3.531 42.870 -7.553 364 1H2 G 193 1H2 G 193 3.723 44.916 -7.382 365 2H2 G 193 2H2 G 193 5.150 45.737 -6.794 366 1H5* A 194 1H5* A 194 8.585 45.175 -0.531 367 2H5* A 194 2H5* A 194 8.351 44.399 1.036 368 H4* A 194 H4* A 194 6.551 45.924 0.667 369 H3* A 194 H3* A 194 5.820 43.018 0.538 370 H2* A 194 H2* A 194 3.536 43.576 0.204 371 2HO* A 194 2HO* A 194 4.245 46.337 0.311 372 H1* A 194 H1* A 194 4.099 45.447 -1.806 373 H8 A 194 H8 A 194 6.274 42.373 -1.939 374 1H6 A 194 1H6 A 194 1.905 39.899 -5.647 375 2H6 A 194 2H6 A 194 3.510 39.661 -4.991 376 H2 A 194 H2 A 194 0.358 43.747 -4.050 377 1H5* C 195 1H5* C 195 3.269 44.694 3.798 378 2H5* C 195 2H5* C 195 2.993 43.408 4.973 379 H4* C 195 H4* C 195 0.906 44.262 4.011 380 H3* C 195 H3* C 195 1.638 41.381 3.557 381 H2* C 195 H2* C 195 -0.443 41.018 2.478 382 2HO* C 195 2HO* C 195 -1.984 42.833 2.592 383 H1* C 195 H1* C 195 -0.204 43.351 0.903 384 1H4 C 195 1H4 C 195 1.720 38.639 -2.949 385 2H4 C 195 2H4 C 195 3.281 38.641 -2.159 386 H5 C 195 H5 C 195 3.799 39.962 -0.271 387 H6 C 195 H6 C 195 2.938 41.623 1.340 388 1H5* G 196 1H5* G 196 -1.201 40.605 7.305 389 2H5* G 196 2H5* G 196 -0.245 39.343 8.082 390 H4* G 196 H4* G 196 -2.409 38.493 7.387 391 H3* G 196 H3* G 196 0.024 37.366 6.031 392 H2* G 196 H2* G 196 -1.350 35.807 4.863 393 2HO* G 196 2HO* G 196 -3.094 35.278 6.039 394 H1* G 196 H1* G 196 -3.137 37.774 4.001 395 H8 G 196 H8 G 196 0.359 39.101 4.000 396 H1 G 196 H1 G 196 -1.126 35.707 -1.307 397 1H2 G 196 1H2 G 196 -2.936 34.756 -1.033 398 2H2 G 196 2H2 G 196 -3.906 34.863 0.419 399 1H5* A 197 1H5* A 197 -2.151 33.360 7.067 400 2H5* A 197 2H5* A 197 -3.041 34.450 8.129 401 H4* A 197 H4* A 197 -2.292 32.639 9.953 402 H3* A 197 H3* A 197 -2.024 31.197 7.356 403 H2* A 197 H2* A 197 -3.197 29.302 8.181 404 2HO* A 197 2HO* A 197 -3.304 29.076 10.383 405 H1* A 197 H1* A 197 -5.324 30.810 9.177 406 H8 A 197 H8 A 197 -3.274 30.237 6.051 407 1H6 A 197 1H6 A 197 -8.699 30.298 2.966 408 2H6 A 197 2H6 A 197 -6.982 30.001 2.809 409 H2 A 197 H2 A 197 -9.486 31.448 7.185 410 1H5* U 198 1H5* U 198 3.192 30.316 7.223 411 2H5* U 198 2H5* U 198 2.529 28.952 8.123 412 H4* U 198 H4* U 198 2.564 31.065 9.957 413 H3* U 198 H3* U 198 5.003 31.176 8.185 414 H2* U 198 H2* U 198 6.333 31.574 10.052 415 2HO* U 198 2HO* U 198 4.590 32.065 12.009 416 H1* U 198 H1* U 198 4.464 29.998 11.718 417 H3 U 198 H3 U 198 7.230 26.079 10.726 418 H5 U 198 H5 U 198 9.488 29.454 11.752 419 H6 U 198 H6 U 198 7.447 30.784 11.469 420 1H5* G 199 1H5* G 199 4.443 35.217 5.382 421 2H5* G 199 2H5* G 199 5.936 34.931 6.278 422 H4* G 199 H4* G 199 5.458 37.319 5.602 423 H3* G 199 H3* G 199 6.126 36.517 8.420 424 H2* G 199 H2* G 199 6.136 38.810 9.065 425 2HO* G 199 2HO* G 199 6.276 40.339 7.425 426 H1* G 199 H1* G 199 3.668 39.340 7.878 427 H8 G 199 H8 G 199 4.712 36.175 9.797 428 H1 G 199 H1 G 199 0.600 40.105 12.885 429 1H2 G 199 1H2 G 199 0.201 41.748 11.706 430 2H2 G 199 2H2 G 199 0.880 42.021 10.117 431 1H5* A 200 1H5* A 200 7.260 37.122 10.616 432 2H5* A 200 2H5* A 200 8.942 37.624 10.791 433 H4* A 200 H4* A 200 8.652 35.986 12.423 434 H3* A 200 H3* A 200 10.107 34.980 10.030 435 H2* A 200 H2* A 200 10.186 32.754 10.868 436 2HO* A 200 2HO* A 200 8.676 33.561 13.140 437 H1* A 200 H1* A 200 7.507 32.532 11.309 438 H8 A 200 H8 A 200 7.047 34.757 8.596 439 1H6 A 200 1H6 A 200 8.966 30.373 4.589 440 2H6 A 200 2H6 A 200 8.150 31.915 4.720 441 H2 A 200 H2 A 200 10.102 29.100 8.691 442 1H5* C 201 1H5* C 201 14.400 33.710 13.377 443 2H5* C 201 2H5* C 201 13.773 33.248 11.796 444 H4* C 201 H4* C 201 11.685 34.059 13.692 445 H3* C 201 H3* C 201 13.552 31.818 14.438 446 H2* C 201 H2* C 201 11.699 30.608 15.318 447 2HO* C 201 2HO* C 201 9.820 31.766 15.737 448 H1* C 201 H1* C 201 10.140 31.050 13.021 449 1H4 C 201 1H4 C 201 12.898 25.287 12.376 450 2H4 C 201 2H4 C 201 14.117 26.057 11.385 451 H5 C 201 H5 C 201 14.283 28.393 11.080 452 H6 C 201 H6 C 201 13.311 30.588 11.659 453 1H5* C 202 1H5* C 202 11.103 32.821 17.480 454 2H5* C 202 2H5* C 202 11.691 32.842 19.142 455 H4* C 202 H4* C 202 9.818 31.379 19.046 456 H3* C 202 H3* C 202 12.454 29.947 19.330 457 H2* C 202 H2* C 202 11.280 27.903 19.611 458 2HO* C 202 2HO* C 202 8.961 28.071 19.922 459 H1* C 202 H1* C 202 9.544 28.458 17.435 460 1H4 C 202 1H4 C 202 13.940 24.432 15.122 461 2H4 C 202 2H4 C 202 14.995 25.795 14.826 462 H5 C 202 H5 C 202 14.512 28.006 15.501 463 H6 C 202 H6 C 202 12.880 29.468 16.637 464 1H5* C 203 1H5* C 203 10.336 28.939 23.227 465 2H5* C 203 2H5* C 203 11.645 28.790 24.400 466 H4* C 203 H4* C 203 10.312 26.743 24.229 467 H3* C 203 H3* C 203 13.217 26.621 23.449 468 H2* C 203 H2* C 203 13.031 24.260 23.215 469 2HO* C 203 2HO* C 203 10.987 23.315 23.936 470 H1* C 203 H1* C 203 10.687 24.449 21.674 471 1H4 C 203 1H4 C 203 15.417 23.944 17.409 472 2H4 C 203 2H4 C 203 15.682 25.669 17.526 473 H5 C 203 H5 C 203 14.561 27.071 19.061 474 H6 C 203 H6 C 203 12.896 27.164 20.881 475 1H5* U 204 1H5* U 204 12.751 23.857 26.812 476 2H5* U 204 2H5* U 204 14.244 23.778 27.746 477 H4* U 204 H4* U 204 13.559 21.600 26.813 478 H3* U 204 H3* U 204 16.208 22.784 26.023 479 H2* U 204 H2* U 204 16.734 20.788 24.838 480 2HO* U 204 2HO* U 204 15.582 18.963 25.375 481 H1* U 204 H1* U 204 14.281 20.739 23.495 482 H3 U 204 H3 U 204 17.717 21.825 20.593 483 H5 U 204 H5 U 204 16.268 25.453 22.104 484 H6 U 204 H6 U 204 14.965 24.145 23.719 485 1H5* A 205 1H5* A 205 17.782 20.174 29.726 486 2H5* A 205 2H5* A 205 19.397 20.862 29.884 487 H4* A 205 H4* A 205 19.134 18.539 28.810 488 H3* A 205 H3* A 205 20.846 20.760 27.717 489 H2* A 205 H2* A 205 21.646 19.294 26.031 490 2HO* A 205 2HO* A 205 21.167 17.039 26.290 491 H1* A 205 H1* A 205 19.091 18.375 25.351 492 H8 A 205 H8 A 205 18.709 21.969 26.039 493 1H6 A 205 1H6 A 205 20.802 23.086 20.267 494 2H6 A 205 2H6 A 205 20.043 23.813 21.664 495 H2 A 205 H2 A 205 21.502 18.796 21.195 496 1H5* G 206 1H5* G 206 24.298 21.442 27.220 497 2H5* G 206 2H5* G 206 23.089 20.669 26.195 498 H4* G 206 H4* G 206 26.012 20.524 26.111 499 H3* G 206 H3* G 206 23.744 20.207 24.160 500 H2* G 206 H2* G 206 25.229 19.145 22.628 501 2HO* G 206 2HO* G 206 27.142 20.172 22.909 502 H1* G 206 H1* G 206 26.223 17.386 24.564 503 H8 G 206 H8 G 206 22.523 18.333 24.512 504 H1 G 206 H1 G 206 23.991 12.782 21.526 505 1H2 G 206 1H2 G 206 26.037 12.530 21.507 506 2H2 G 206 2H2 G 206 27.185 13.656 22.198 507 1H5* U 207 1H5* U 207 24.254 22.003 20.348 508 2H5* U 207 2H5* U 207 25.895 22.430 19.867 509 H4* U 207 H4* U 207 23.849 23.932 19.205 510 H3* U 207 H3* U 207 26.600 24.831 20.018 511 H2* U 207 H2* U 207 25.971 27.090 19.658 512 2HO* U 207 2HO* U 207 23.413 26.896 18.929 513 H1* U 207 H1* U 207 23.589 26.887 21.085 514 H3 U 207 H3 U 207 25.963 29.181 24.130 515 H5 U 207 H5 U 207 27.926 25.485 24.012 516 H6 U 207 H6 U 207 26.425 24.857 22.176 517 1H5* A 208 1H5* A 208 28.129 26.605 15.216 518 2H5* A 208 2H5* A 208 26.747 26.377 14.143 519 H4* A 208 H4* A 208 28.659 25.468 13.065 520 H3* A 208 H3* A 208 26.670 23.470 14.048 521 H2* A 208 H2* A 208 27.991 21.654 13.257 522 2HO* A 208 2HO* A 208 29.946 23.551 12.398 523 H1* A 208 H1* A 208 30.325 22.610 14.479 524 H8 A 208 H8 A 208 26.922 22.863 16.204 525 1H6 A 208 1H6 A 208 28.663 17.753 19.335 526 2H6 A 208 2H6 A 208 27.408 18.963 19.181 527 H2 A 208 H2 A 208 31.811 18.691 16.342 528 1H5* G 209 1H5* G 209 26.174 22.378 10.626 529 2H5* G 209 2H5* G 209 24.555 21.819 10.207 530 H4* G 209 H4* G 209 26.020 20.152 11.387 531 H3* G 209 H3* G 209 23.278 20.872 12.382 532 H2* G 209 H2* G 209 23.465 19.214 14.084 533 2HO* G 209 2HO* G 209 25.922 18.273 13.783 534 H1* G 209 H1* G 209 25.966 20.112 14.930 535 H8 G 209 H8 G 209 24.120 23.163 14.039 536 H1 G 209 H1 G 209 22.226 20.714 19.722 537 1H2 G 209 1H2 G 209 22.994 18.812 19.942 538 2H2 G 209 2H2 G 209 24.000 18.003 18.763 539 1H5* A 210 1H5* A 210 23.559 16.724 13.184 540 2H5* A 210 2H5* A 210 22.269 16.050 12.188 541 H4* A 210 H4* A 210 21.987 15.188 14.374 542 H3* A 210 H3* A 210 19.979 17.325 13.690 543 H2* A 210 H2* A 210 18.854 16.885 15.735 544 2HO* A 210 2HO* A 210 20.023 15.004 16.965 545 H1* A 210 H1* A 210 21.240 16.889 17.232 546 H8 A 210 H8 A 210 21.241 19.587 14.643 547 1H6 A 210 1H6 A 210 18.358 23.184 18.850 548 2H6 A 210 2H6 A 210 19.137 23.181 17.283 549 H2 A 210 H2 A 210 18.491 19.033 20.429 550 1H5* G 211 1H5* G 211 17.431 13.452 14.702 551 2H5* G 211 2H5* G 211 16.063 13.757 13.632 552 H4* G 211 H4* G 211 15.478 13.390 16.037 553 H3* G 211 H3* G 211 14.622 15.865 14.563 554 H2* G 211 H2* G 211 13.366 16.558 16.466 555 2HO* G 211 2HO* G 211 12.923 15.006 18.027 556 H1* G 211 H1* G 211 15.496 16.165 18.226 557 H8 G 211 H8 G 211 17.027 17.468 15.150 558 H1 G 211 H1 G 211 14.073 22.093 18.580 559 1H2 G 211 1H2 G 211 12.903 21.226 20.041 560 2H2 G 211 2H2 G 211 12.746 19.502 20.297 561 1H5* G 212 1H5* G 212 10.344 14.089 15.649 562 2H5* G 212 2H5* G 212 9.659 14.357 14.046 563 H4* G 212 H4* G 212 8.300 15.356 15.825 564 H3* G 212 H3* G 212 9.520 17.155 13.750 565 H2* G 212 H2* G 212 8.356 19.012 14.682 566 2HO* G 212 2HO* G 212 6.579 18.546 15.903 567 H1* G 212 H1* G 212 9.192 18.447 17.286 568 H8 G 212 H8 G 212 11.977 17.649 14.955 569 H1 G 212 H1 G 212 11.529 23.958 16.324 570 1H2 G 212 1H2 G 212 9.756 24.324 17.310 571 2H2 G 212 2H2 G 212 8.566 23.104 17.706 572 1H5* G 213 1H5* G 213 4.964 17.630 13.130 573 2H5* G 213 2H5* G 213 4.814 18.171 11.459 574 H4* G 213 H4* G 213 3.903 19.743 13.178 575 H3* G 213 H3* G 213 5.972 20.619 11.180 576 H2* G 213 H2* G 213 5.784 22.856 11.981 577 2HO* G 213 2HO* G 213 3.616 22.970 12.421 578 H1* G 213 H1* G 213 6.063 22.095 14.657 579 H8 G 213 H8 G 213 8.350 19.910 12.781 580 H1 G 213 H1 G 213 10.694 25.901 13.494 581 1H2 G 213 1H2 G 213 9.200 27.149 14.173 582 2H2 G 213 2H2 G 213 7.557 26.648 14.500 583 1H5* G 214 1H5* G 214 4.791 24.341 10.059 584 2H5* G 214 2H5* G 214 4.437 23.887 8.392 585 H4* G 214 H4* G 214 6.340 25.441 8.597 586 H3* G 214 H3* G 214 6.739 22.737 7.355 587 H2* G 214 H2* G 214 8.997 23.295 6.842 588 2HO* G 214 2HO* G 214 8.671 25.817 8.109 589 H1* G 214 H1* G 214 9.538 24.190 9.437 590 H8 G 214 H8 G 214 7.364 21.274 9.897 591 H1 G 214 H1 G 214 13.406 19.588 8.307 592 1H2 G 214 1H2 G 214 14.436 21.251 7.654 593 2H2 G 214 2H2 G 214 13.763 22.863 7.553 594 1H5* G 215 1H5* G 215 8.314 25.184 3.875 595 2H5* G 215 2H5* G 215 6.893 24.966 2.853 596 H4* G 215 H4* G 215 8.661 24.529 1.421 597 H3* G 215 H3* G 215 7.479 21.978 2.450 598 H2* G 215 H2* G 215 9.029 20.696 1.177 599 2HO* G 215 2HO* G 215 9.156 21.970 -0.648 600 H1* G 215 H1* G 215 11.249 22.061 2.105 601 H8 G 215 H8 G 215 8.920 22.052 4.960 602 H1 G 215 H1 G 215 11.854 16.343 4.138 603 1H2 G 215 1H2 G 215 12.805 16.314 2.309 604 2H2 G 215 2H2 G 215 12.807 17.639 1.167 605 1H5* C 216 1H5* C 216 6.035 21.505 -1.857 606 2H5* C 216 2H5* C 216 4.508 20.649 -1.653 607 H4* C 216 H4* C 216 6.367 19.368 -2.775 608 H3* C 216 H3* C 216 4.913 18.283 -0.367 609 H2* C 216 H2* C 216 6.058 16.225 -0.648 610 2HO* C 216 2HO* C 216 5.851 16.384 -2.966 611 H1* C 216 H1* C 216 8.553 17.496 -1.037 612 1H4 C 216 1H4 C 216 8.360 15.608 5.088 613 2H4 C 216 2H4 C 216 7.765 17.199 5.502 614 H5 C 216 H5 C 216 7.171 18.838 3.908 615 H6 C 216 H6 C 216 7.001 19.357 1.501 616 1H5* U 217 1H5* U 217 2.747 15.072 -3.093 617 2H5* U 217 2H5* U 217 1.760 14.532 -1.735 618 H4* U 217 H4* U 217 3.933 13.218 -2.743 619 H3* U 217 H3* U 217 2.540 13.056 -0.081 620 H2* U 217 H2* U 217 4.123 11.446 0.644 621 2HO* U 217 2HO* U 217 5.464 10.492 -0.969 622 H1* U 217 H1* U 217 6.333 12.906 -0.209 623 H3 U 217 H3 U 217 6.148 13.098 4.380 624 H5 U 217 H5 U 217 3.746 16.252 3.033 625 H6 U 217 H6 U 217 3.968 15.325 0.773 626 1H5* G 218 1H5* G 218 -0.514 8.987 -0.541 627 2H5* G 218 2H5* G 218 0.774 9.992 0.126 628 H4* G 218 H4* G 218 1.114 7.473 -0.799 629 H3* G 218 H3* G 218 3.104 9.747 -0.665 630 H2* G 218 H2* G 218 4.757 8.252 -1.417 631 2HO* G 218 2HO* G 218 2.978 6.056 -1.304 632 H1* G 218 H1* G 218 2.893 6.959 -3.211 633 H8 G 218 H8 G 218 3.127 10.678 -3.543 634 H1 G 218 H1 G 218 7.561 7.478 -7.004 635 1H2 G 218 1H2 G 218 7.543 5.485 -6.474 636 2H2 G 218 2H2 G 218 6.483 4.785 -5.271 637 1H5* C 219 1H5* C 219 4.295 7.277 2.235 638 2H5* C 219 2H5* C 219 3.984 5.822 3.181 639 H4* C 219 H4* C 219 4.818 7.004 4.884 640 H3* C 219 H3* C 219 1.998 7.968 4.714 641 H2* C 219 H2* C 219 2.381 9.690 6.279 642 2HO* C 219 2HO* C 219 3.756 8.983 7.800 643 H1* C 219 H1* C 219 4.794 10.533 5.133 644 1H4 C 219 1H4 C 219 -0.015 14.147 2.803 645 2H4 C 219 2H4 C 219 0.254 13.320 1.285 646 H5 C 219 H5 C 219 1.701 11.471 1.032 647 H6 C 219 H6 C 219 3.263 9.944 2.184 648 1H5* G 220 1H5* G 220 4.656 3.935 6.751 649 2H5* G 220 2H5* G 220 5.050 5.612 6.374 650 H4* G 220 H4* G 220 6.287 3.206 5.441 651 H3* G 220 H3* G 220 6.861 6.156 5.086 652 H2* G 220 H2* G 220 8.606 5.566 3.628 653 2HO* G 220 2HO* G 220 8.193 2.824 4.323 654 H1* G 220 H1* G 220 7.049 3.363 2.553 655 H8 G 220 H8 G 220 6.762 3.969 0.131 656 H1 G 220 H1 G 220 6.891 10.321 1.361 657 1H2 G 220 1H2 G 220 6.996 10.627 3.397 658 2H2 G 220 2H2 G 220 7.042 9.352 4.594 659 1H5* G 221 1H5* G 221 10.230 4.893 6.345 660 2H5* G 221 2H5* G 221 11.387 5.994 7.094 661 H4* G 221 H4* G 221 11.387 5.444 4.488 662 H3* G 221 H3* G 221 12.194 7.946 5.929 663 H2* G 221 H2* G 221 12.671 9.026 3.873 664 2HO* G 221 2HO* G 221 13.554 7.049 3.003 665 H1* G 221 H1* G 221 10.281 8.356 2.666 666 H8 G 221 H8 G 221 10.206 8.936 6.431 667 H1 G 221 H1 G 221 8.822 14.136 2.835 668 1H2 G 221 1H2 G 221 9.111 13.692 0.841 669 2H2 G 221 2H2 G 221 9.647 12.141 0.235 670 1H5* C 222 1H5* C 222 15.872 8.115 3.159 671 2H5* C 222 2H5* C 222 16.771 9.077 4.331 672 H4* C 222 H4* C 222 15.757 10.070 2.055 673 H3* C 222 H3* C 222 16.170 11.471 4.702 674 H2* C 222 H2* C 222 15.509 13.482 3.664 675 2HO* C 222 2HO* C 222 15.161 12.508 1.112 676 H1* C 222 H1* C 222 13.428 12.168 2.189 677 1H4 C 222 1H4 C 222 10.550 15.510 6.835 678 2H4 C 222 2H4 C 222 10.722 14.118 7.882 679 H5 C 222 H5 C 222 11.926 12.173 7.295 680 H6 C 222 H6 C 222 13.275 11.074 5.543 681 1H5* U 223 1H5* U 223 17.002 14.569 2.424 682 2H5* U 223 2H5* U 223 18.672 14.984 2.811 683 H4* U 223 H4* U 223 17.336 16.911 3.201 684 H3* U 223 H3* U 223 18.291 15.558 5.710 685 H2* U 223 H2* U 223 17.243 17.176 7.030 686 2HO* U 223 2HO* U 223 18.092 18.898 5.790 687 H1* U 223 H1* U 223 15.051 17.413 5.107 688 H3 U 223 H3 U 223 12.950 16.920 9.126 689 H5 U 223 H5 U 223 14.465 13.115 8.250 690 H6 U 223 H6 U 223 15.658 14.132 6.365 691 1H5* U 224 1H5* U 224 20.585 18.380 1.988 692 2H5* U 224 2H5* U 224 19.030 18.031 2.745 693 H4* U 224 H4* U 224 19.908 16.454 0.347 694 H3* U 224 H3* U 224 19.188 19.328 0.310 695 H2* U 224 H2* U 224 17.543 19.077 -1.369 696 2HO* U 224 2HO* U 224 17.726 16.355 -1.701 697 H1* U 224 H1* U 224 16.238 16.955 -0.193 698 H3 U 224 H3 U 224 13.311 20.017 1.236 699 H5 U 224 H5 U 224 16.877 21.282 3.031 700 H6 U 224 H6 U 224 18.005 19.455 1.846 701 1H5* A 225 1H5* A 225 20.752 18.728 -3.944 702 2H5* A 225 2H5* A 225 20.890 20.354 -4.615 703 H4* A 225 H4* A 225 18.985 18.856 -5.441 704 H3* A 225 H3* A 225 18.624 21.715 -4.558 705 H2* A 225 H2* A 225 16.360 21.618 -5.264 706 2HO* A 225 2HO* A 225 15.996 20.237 -6.909 707 H1* A 225 H1* A 225 15.898 19.142 -4.014 708 H8 A 225 H8 A 225 18.040 21.463 -1.975 709 1H6 A 225 1H6 A 225 12.727 23.639 0.471 710 2H6 A 225 2H6 A 225 14.472 23.689 0.598 711 H2 A 225 H2 A 225 11.698 20.912 -2.884 712 1H5* G 226 1H5* G 226 17.598 20.634 -8.337 713 2H5* G 226 2H5* G 226 17.903 21.582 -9.791 714 H4* G 226 H4* G 226 15.658 20.887 -9.918 715 H3* G 226 H3* G 226 15.985 23.774 -9.213 716 H2* G 226 H2* G 226 13.624 24.077 -9.114 717 2HO* G 226 2HO* G 226 12.653 21.646 -9.497 718 H1* G 226 H1* G 226 13.253 21.869 -7.434 719 H8 G 226 H8 G 226 16.357 23.425 -6.259 720 H1 G 226 H1 G 226 11.114 26.752 -4.434 721 1H2 G 226 1H2 G 226 9.470 26.071 -5.476 722 2H2 G 226 2H2 G 226 9.507 24.789 -6.665 723 1H5* G 227 1H5* G 227 14.984 24.767 -13.571 724 2H5* G 227 2H5* G 227 16.398 25.733 -13.990 725 H4* G 227 H4* G 227 14.299 27.032 -13.946 726 H3* G 227 H3* G 227 16.582 27.780 -12.152 727 H2* G 227 H2* G 227 15.370 29.672 -11.358 728 2HO* G 227 2HO* G 227 13.044 29.608 -12.483 729 H1* G 227 H1* G 227 13.084 28.188 -10.779 730 H8 G 227 H8 G 227 16.531 26.642 -10.224 731 H1 G 227 H1 G 227 13.849 29.344 -4.990 732 1H2 G 227 1H2 G 227 12.088 30.275 -5.521 733 2H2 G 227 2H2 G 227 11.436 30.318 -7.143 734 1H5* A 228 1H5* A 228 15.009 31.549 -14.027 735 2H5* A 228 2H5* A 228 16.419 32.605 -14.105 736 H4* A 228 H4* A 228 14.531 33.490 -12.743 737 H3* A 228 H3* A 228 17.251 33.108 -11.498 738 H2* A 228 H2* A 228 16.470 34.223 -9.550 739 2HO* A 228 2HO* A 228 15.245 35.717 -10.870 740 H1* A 228 H1* A 228 14.070 32.719 -9.504 741 H8 A 228 H8 A 228 16.914 30.471 -10.270 742 1H6 A 228 1H6 A 228 17.918 30.067 -4.124 743 2H6 A 228 2H6 A 228 18.355 29.395 -5.679 744 H2 A 228 H2 A 228 14.954 33.300 -4.838 745 1H5* G 229 1H5* G 229 16.872 37.922 -11.415 746 2H5* G 229 2H5* G 229 18.604 38.222 -11.567 747 H4* G 229 H4* G 229 17.515 39.267 -9.575 748 H3* G 229 H3* G 229 19.867 37.417 -9.287 749 H2* G 229 H2* G 229 19.932 37.876 -6.951 750 2HO* G 229 2HO* G 229 18.712 39.646 -6.202 751 H1* G 229 H1* G 229 17.200 37.390 -6.612 752 H8 G 229 H8 G 229 18.336 34.906 -9.076 753 H1 G 229 H1 G 229 20.076 33.365 -3.036 754 1H2 G 229 1H2 G 229 19.773 34.985 -1.798 755 2H2 G 229 2H2 G 229 19.142 36.531 -2.317 756 1H5* G 230 1H5* G 230 21.398 41.459 -7.208 757 2H5* G 230 2H5* G 230 23.065 41.310 -7.762 758 H4* G 230 H4* G 230 22.783 41.573 -5.292 759 H3* G 230 H3* G 230 24.276 39.244 -6.467 760 H2* G 230 H2* G 230 24.875 38.528 -4.276 761 2HO* G 230 2HO* G 230 23.447 40.419 -2.876 762 H1* G 230 H1* G 230 22.253 38.685 -3.326 763 H8 G 230 H8 G 230 21.943 37.451 -6.773 764 H1 G 230 H1 G 230 23.955 32.854 -2.687 765 1H2 G 230 1H2 G 230 24.500 33.716 -0.895 766 2H2 G 230 2H2 G 230 24.423 35.429 -0.550 767 1H5* G 231 1H5* G 231 27.094 41.190 -3.339 768 2H5* G 231 2H5* G 231 28.624 41.102 -4.213 769 H4* G 231 H4* G 231 28.757 40.140 -1.955 770 H3* G 231 H3* G 231 29.291 38.385 -4.335 771 H2* G 231 H2* G 231 29.897 36.599 -2.879 772 2HO* G 231 2HO* G 231 29.549 37.438 -0.460 773 H1* G 231 H1* G 231 27.592 36.861 -1.324 774 H8 G 231 H8 G 231 26.536 37.526 -4.790 775 H1 G 231 H1 G 231 27.375 31.216 -3.622 776 1H2 G 231 1H2 G 231 28.347 30.973 -1.819 777 2H2 G 231 2H2 G 231 28.858 32.283 -0.779 778 1H5* C 232 1H5* C 232 32.552 38.134 -1.687 779 2H5* C 232 2H5* C 232 34.122 38.195 -2.487 780 H4* C 232 H4* C 232 34.052 36.253 -1.099 781 H3* C 232 H3* C 232 33.981 35.723 -4.051 782 H2* C 232 H2* C 232 34.001 33.383 -3.662 783 2HO* C 232 2HO* C 232 34.085 33.927 -0.857 784 H1* C 232 H1* C 232 31.990 33.547 -1.683 785 1H4 C 232 1H4 C 232 28.955 31.785 -7.026 786 2H4 C 232 2H4 C 232 28.846 33.468 -7.492 787 H5 C 232 H5 C 232 29.870 35.232 -6.301 788 H6 C 232 H6 C 232 31.265 35.821 -4.351 789 1H5* A 233 1H5* A 233 37.879 33.388 -2.751 790 2H5* A 233 2H5* A 233 38.889 33.867 -4.116 791 H4* A 233 H4* A 233 38.797 31.429 -3.800 792 H3* A 233 H3* A 233 37.794 32.620 -6.370 793 H2* A 233 H2* A 233 37.433 30.443 -7.246 794 2HO* A 233 2HO* A 233 38.290 29.217 -4.853 795 H1* A 233 H1* A 233 36.090 29.540 -4.965 796 H8 A 233 H8 A 233 35.075 33.055 -5.526 797 1H6 A 233 1H6 A 233 30.891 30.927 -9.640 798 2H6 A 233 2H6 A 233 31.408 32.340 -8.746 799 H2 A 233 H2 A 233 33.603 27.579 -8.557 800 1H5* G 234 1H5* G 234 41.024 29.719 -7.386 801 2H5* G 234 2H5* G 234 41.986 30.436 -8.679 802 H4* G 234 H4* G 234 41.257 28.198 -9.273 803 H3* G 234 H3* G 234 40.181 30.487 -10.893 804 H2* G 234 H2* G 234 39.092 28.948 -12.351 805 2HO* G 234 2HO* G 234 40.886 27.455 -12.145 806 H1* G 234 H1* G 234 37.912 27.533 -10.256 807 H8 G 234 H8 G 234 37.920 31.108 -9.290 808 H1 G 234 H1 G 234 33.180 29.630 -13.441 809 1H2 G 234 1H2 G 234 33.497 27.742 -14.204 810 2H2 G 234 2H2 G 234 34.847 26.711 -13.783 811 1H GLY 15 1H GLY 15 6.082 -3.450 0.486 812 1HA GLY 15 1HA GLY 15 5.976 -2.725 -1.689 813 2HA GLY 15 2HA GLY 15 4.588 -1.771 -1.188 814 H ARG 16 H ARG 16 8.144 -1.749 -0.976 815 HA ARG 16 HA ARG 16 8.188 1.129 -0.748 816 1HB ARG 16 2HB ARG 16 9.832 -0.235 0.458 817 2HB ARG 16 3HB ARG 16 10.445 -0.857 -1.069 818 1HG ARG 16 2HG ARG 16 11.110 1.434 -1.699 819 2HG ARG 16 3HG ARG 16 10.573 1.995 -0.114 820 1HD ARG 16 2HD ARG 16 12.552 -0.237 -0.342 821 2HD ARG 16 3HD ARG 16 13.080 1.438 -0.496 822 HE ARG 16 HE ARG 16 11.521 1.195 1.820 823 1HH1 ARG 16 2HH1 ARG 16 14.604 0.180 0.560 824 2HH1 ARG 16 1HH1 ARG 16 15.361 0.101 2.116 825 1HH2 ARG 16 2HH2 ARG 16 12.507 1.094 3.875 826 2HH2 ARG 16 1HH2 ARG 16 14.166 0.621 4.001 827 H ALA 17 H ALA 17 9.000 2.580 -2.265 828 HA ALA 17 HA ALA 17 9.711 1.600 -4.913 829 1HB ALA 17 1HB ALA 17 7.469 1.764 -5.408 830 2HB ALA 17 2HB ALA 17 7.214 3.117 -4.305 831 3HB ALA 17 3HB ALA 17 8.038 3.376 -5.843 832 H ARG 18 H ARG 18 10.755 3.253 -2.533 833 HA ARG 18 HA ARG 18 11.104 5.909 -3.181 834 1HB ARG 18 2HB ARG 18 12.274 4.043 -1.372 835 2HB ARG 18 3HB ARG 18 13.575 4.942 -2.142 836 1HG ARG 18 2HG ARG 18 11.222 6.139 -0.693 837 2HG ARG 18 3HG ARG 18 12.867 6.000 -0.070 838 1HD ARG 18 2HD ARG 18 12.009 7.582 -2.490 839 2HD ARG 18 3HD ARG 18 12.430 8.248 -0.913 840 HE ARG 18 HE ARG 18 14.608 6.762 -1.736 841 1HH1 ARG 18 2HH1 ARG 18 12.830 9.534 -2.864 842 2HH1 ARG 18 1HH1 ARG 18 14.200 10.260 -3.639 843 1HH2 ARG 18 2HH2 ARG 18 16.418 7.708 -2.751 844 2HH2 ARG 18 1HH2 ARG 18 16.239 9.220 -3.575 845 H GLY 19 H GLY 19 12.325 7.050 -4.586 846 1HA GLY 19 1HA GLY 19 14.193 7.404 -6.007 847 2HA GLY 19 2HA GLY 19 14.417 5.663 -6.101 848 H LEU 20 H LEU 20 11.428 5.411 -6.571 849 HA LEU 20 HA LEU 20 11.531 6.036 -9.444 850 1HB LEU 20 2HB LEU 20 10.528 3.759 -7.880 851 2HB LEU 20 3HB LEU 20 9.470 4.285 -9.188 852 HG LEU 20 HG LEU 20 12.245 3.990 -10.028 853 1HD1 LEU 20 1HD1 LEU 20 12.369 1.598 -9.909 854 2HD1 LEU 20 2HD1 LEU 20 10.783 1.508 -9.142 855 3HD1 LEU 20 3HD1 LEU 20 12.140 2.233 -8.279 856 1HD2 LEU 20 1HD2 LEU 20 9.522 3.163 -10.943 857 2HD2 LEU 20 2HD2 LEU 20 10.957 2.443 -11.673 858 3HD2 LEU 20 3HD2 LEU 20 10.713 4.188 -11.745 859 H CYS 21 H CYS 21 10.202 7.634 -10.223 860 HA CYS 21 HA CYS 21 8.384 8.878 -8.470 861 1HB CYS 21 2HB CYS 21 9.621 10.033 -10.313 862 2HB CYS 21 3HB CYS 21 8.615 9.199 -11.480 863 H TYR 22 H TYR 22 6.098 8.942 -8.703 864 HA TYR 22 HA TYR 22 4.933 6.570 -10.007 865 1HB TYR 22 2HB TYR 22 4.507 6.136 -7.787 866 2HB TYR 22 3HB TYR 22 4.434 7.840 -7.355 867 HD1 TYR 22 HD1 TYR 22 2.548 5.354 -9.417 868 HD2 TYR 22 HD2 TYR 22 2.370 8.722 -6.822 869 HE1 TYR 22 HE1 TYR 22 0.091 5.252 -9.462 870 HE2 TYR 22 HE2 TYR 22 -0.088 8.627 -6.859 871 HH TYR 22 HH TYR 22 -1.874 7.759 -8.340 872 H THR 23 H THR 23 4.824 9.996 -9.635 873 HA THR 23 HA THR 23 2.202 10.477 -10.573 874 HB THR 23 HB THR 23 4.580 12.315 -10.887 875 HG1 THR 23 HG1 THR 23 4.356 12.831 -8.812 876 1HG2 THR 23 1HG2 THR 23 1.746 12.547 -11.437 877 2HG2 THR 23 2HG2 THR 23 3.065 13.642 -11.852 878 3HG2 THR 23 3HG2 THR 23 2.282 13.761 -10.276 879 H CYS 24 H CYS 24 5.395 10.272 -12.275 880 HA CYS 24 HA CYS 24 3.862 10.337 -14.770 881 1HB CYS 24 2HB CYS 24 5.884 11.094 -15.885 882 2HB CYS 24 3HB CYS 24 5.493 12.171 -14.558 883 H GLY 25 H GLY 25 6.323 8.754 -12.819 884 1HA GLY 25 1HA GLY 25 6.521 6.371 -12.728 885 2HA GLY 25 2HA GLY 25 5.960 6.296 -14.392 886 H SER 26 H SER 26 8.440 8.478 -13.181 887 HA SER 26 HA SER 26 10.335 7.233 -15.040 888 1HB SER 26 2HB SER 26 9.767 9.757 -15.059 889 2HB SER 26 3HB SER 26 10.779 9.849 -13.618 890 HG SER 26 HG SER 26 12.426 8.786 -14.952 891 HA PRO 27 HA PRO 27 12.306 5.413 -11.478 892 1HB PRO 27 2HB PRO 27 14.285 4.182 -12.869 893 2HB PRO 27 3HB PRO 27 12.632 3.560 -12.797 894 1HG PRO 27 2HG PRO 27 13.961 5.164 -14.947 895 2HG PRO 27 3HG PRO 27 12.891 3.758 -15.100 896 1HD PRO 27 2HD PRO 27 12.023 6.296 -15.471 897 2HD PRO 27 3HD PRO 27 10.984 5.018 -14.805 898 H GLY 28 H GLY 28 13.080 7.320 -10.499 899 1HA GLY 28 1HA GLY 28 15.778 7.651 -10.226 900 2HA GLY 28 2HA GLY 28 15.354 8.724 -11.551 901 H HIS 29 H HIS 29 13.334 10.121 -11.024 902 HA HIS 29 HA HIS 29 13.906 11.432 -8.477 903 1HB HIS 29 2HB HIS 29 12.755 13.349 -9.372 904 2HB HIS 29 3HB HIS 29 13.863 12.750 -10.603 905 HD1 HIS 29 HD1 HIS 29 12.881 12.399 -12.852 906 HD2 HIS 29 HD2 HIS 29 9.980 12.444 -9.878 907 HE1 HIS 29 HE1 HIS 29 10.678 12.271 -14.059 908 H TYR 30 H TYR 30 11.652 12.673 -7.792 909 HA TYR 30 HA TYR 30 9.601 10.581 -7.526 910 1HB TYR 30 2HB TYR 30 11.288 11.485 -5.460 911 2HB TYR 30 3HB TYR 30 9.717 12.219 -5.156 912 HD1 TYR 30 HD1 TYR 30 11.184 8.901 -6.064 913 HD2 TYR 30 HD2 TYR 30 8.180 11.019 -3.921 914 HE1 TYR 30 HE1 TYR 30 10.390 6.784 -5.097 915 HE2 TYR 30 HE2 TYR 30 7.378 8.907 -2.947 916 HH TYR 30 HH TYR 30 7.750 6.721 -2.730 917 H GLN 31 H GLN 31 7.584 11.646 -6.390 918 HA GLN 31 HA GLN 31 6.424 13.409 -8.164 919 1HB GLN 31 2HB GLN 31 5.043 12.149 -6.672 920 2HB GLN 31 3HB GLN 31 5.795 12.880 -5.260 921 1HG GLN 31 2HG GLN 31 4.509 14.715 -5.357 922 2HG GLN 31 3HG GLN 31 4.539 14.772 -7.119 923 1HE2 GLN 31 1HE2 GLN 31 3.359 12.498 -4.657 924 2HE2 GLN 31 2HE2 GLN 31 1.782 12.318 -5.337 925 H ALA 32 H ALA 32 8.092 14.131 -5.126 926 HA ALA 32 HA ALA 32 7.573 16.875 -5.015 927 1HB ALA 32 1HB ALA 32 8.688 15.299 -3.287 928 2HB ALA 32 2HB ALA 32 10.189 15.752 -4.097 929 3HB ALA 32 3HB ALA 32 9.179 16.993 -3.354 930 H GLN 33 H GLN 33 9.707 15.061 -7.042 931 HA GLN 33 HA GLN 33 10.776 17.582 -8.132 932 1HB GLN 33 2HB GLN 33 12.192 14.913 -8.099 933 2HB GLN 33 3HB GLN 33 12.839 16.438 -8.688 934 1HG GLN 33 2HG GLN 33 12.883 17.350 -6.480 935 2HG GLN 33 3HG GLN 33 12.025 15.951 -5.835 936 1HE2 GLN 33 1HE2 GLN 33 13.159 13.825 -6.247 937 2HE2 GLN 33 2HE2 GLN 33 14.869 13.802 -6.004 938 H CYS 34 H CYS 34 8.310 15.961 -8.888 939 HA CYS 34 HA CYS 34 9.059 14.747 -11.369 940 1HB CYS 34 2HB CYS 34 7.181 13.918 -9.923 941 2HB CYS 34 3HB CYS 34 6.278 15.367 -10.320 942 HA PRO 35 HA PRO 35 8.985 18.652 -13.527 943 1HB PRO 35 2HB PRO 35 9.264 17.607 -16.017 944 2HB PRO 35 3HB PRO 35 10.605 17.734 -14.873 945 1HG PRO 35 2HG PRO 35 8.898 15.366 -15.534 946 2HG PRO 35 3HG PRO 35 10.653 15.450 -15.303 947 1HD PRO 35 2HD PRO 35 8.971 14.557 -13.378 948 2HD PRO 35 3HD PRO 35 10.478 15.417 -13.005 949 H LYS 36 H LYS 36 6.702 16.125 -13.752 950 HA LYS 36 HA LYS 36 4.987 17.630 -15.590 951 1HB LYS 36 2HB LYS 36 5.439 14.869 -15.156 952 2HB LYS 36 3HB LYS 36 3.784 15.195 -14.660 953 1HG LYS 36 2HG LYS 36 3.304 16.173 -16.833 954 2HG LYS 36 3HG LYS 36 4.975 15.903 -17.334 955 1HD LYS 36 2HD LYS 36 4.694 13.524 -17.197 956 2HD LYS 36 3HD LYS 36 3.091 13.708 -16.481 957 1HE LYS 36 2HE LYS 36 2.146 13.860 -18.488 958 2HE LYS 36 3HE LYS 36 3.256 15.141 -18.971 959 1HZ LYS 36 1HZ LYS 36 4.879 13.453 -19.576 960 2HZ LYS 36 2HZ LYS 36 3.436 13.231 -20.430 961 3HZ LYS 36 3HZ LYS 36 3.807 12.226 -19.121 962 H LYS 37 H LYS 37 5.596 17.614 -12.395 963 HA LYS 37 HA LYS 37 3.197 17.353 -11.057 964 1HB LYS 37 2HB LYS 37 5.688 18.895 -10.616 965 2HB LYS 37 3HB LYS 37 4.280 19.423 -9.704 966 1HG LYS 37 2HG LYS 37 4.439 16.595 -9.520 967 2HG LYS 37 3HG LYS 37 6.031 17.267 -9.161 968 1HD LYS 37 2HD LYS 37 5.121 17.408 -7.081 969 2HD LYS 37 3HD LYS 37 4.552 18.950 -7.721 970 1HE LYS 37 2HE LYS 37 2.784 16.708 -8.330 971 2HE LYS 37 3HE LYS 37 2.980 16.996 -6.602 972 1HZ LYS 37 1HZ LYS 37 1.132 18.236 -7.791 973 2HZ LYS 37 2HZ LYS 37 2.346 19.191 -8.480 974 3HZ LYS 37 3HZ LYS 37 2.151 19.153 -6.799 975 H ARG 38 H ARG 38 4.546 20.458 -12.194 976 HA ARG 38 HA ARG 38 3.552 22.404 -12.829 977 1HB ARG 38 2HB ARG 38 2.283 20.360 -14.229 978 2HB ARG 38 3HB ARG 38 0.961 21.327 -13.589 979 1HG ARG 38 2HG ARG 38 1.373 23.031 -14.977 980 2HG ARG 38 3HG ARG 38 3.122 22.893 -14.788 981 1HD ARG 38 2HD ARG 38 3.336 21.457 -16.541 982 2HD ARG 38 3HD ARG 38 1.742 20.745 -16.291 983 HE ARG 38 HE ARG 38 2.396 22.956 -17.987 984 1HH1 ARG 38 2HH1 ARG 38 -0.120 21.505 -16.068 985 2HH1 ARG 38 1HH1 ARG 38 -1.407 22.229 -16.973 986 1HH2 ARG 38 2HH2 ARG 38 0.710 23.915 -19.187 987 2HH2 ARG 38 1HH2 ARG 38 -0.934 23.598 -18.748 988 H LYS 39 H LYS 39 1.166 23.538 -12.685 989 HA LYS 39 HA LYS 39 0.600 23.517 -9.822 990 1HB LYS 39 2HB LYS 39 -0.318 25.438 -11.969 991 2HB LYS 39 3HB LYS 39 -0.556 25.637 -10.238 992 1HG LYS 39 2HG LYS 39 2.167 25.429 -11.491 993 2HG LYS 39 3HG LYS 39 1.322 26.964 -11.270 994 1HD LYS 39 2HD LYS 39 1.253 26.634 -8.882 995 2HD LYS 39 3HD LYS 39 1.947 25.019 -9.049 996 1HE LYS 39 2HE LYS 39 3.325 27.576 -9.864 997 2HE LYS 39 3HE LYS 39 3.587 26.741 -8.333 998 1HZ LYS 39 1HZ LYS 39 5.151 25.597 -9.387 999 2HZ LYS 39 2HZ LYS 39 4.681 26.180 -10.904 1000 3HZ LYS 39 3HZ LYS 39 3.925 24.814 -10.251 1001 H SER 40 H SER 40 -1.327 22.969 -8.937 1002 HA SER 40 HA SER 40 -3.775 22.807 -10.316 1003 1HB SER 40 2HB SER 40 -2.710 20.900 -11.449 1004 2HB SER 40 3HB SER 40 -2.389 20.148 -9.886 1005 HG SER 40 HG SER 40 -4.267 19.254 -10.299 1006 H GLY 41 H GLY 41 -5.254 23.091 -8.789 1007 1HA GLY 41 1HA GLY 41 -4.587 22.317 -6.034 1008 2HA GLY 41 2HA GLY 41 -5.786 23.514 -6.501 1009 H ASN 42 H ASN 42 -6.644 21.842 -4.679 1010 HA ASN 42 HA ASN 42 -8.842 20.549 -5.873 1011 1HB ASN 42 2HB ASN 42 -8.274 18.198 -5.226 1012 2HB ASN 42 3HB ASN 42 -7.292 18.831 -6.545 1013 1HD2 ASN 42 1HD2 ASN 42 -5.201 18.498 -6.397 1014 2HD2 ASN 42 2HD2 ASN 42 -4.318 18.195 -4.942 1015 H SER 43 H SER 43 -10.206 19.428 -4.274 1016 HA SER 43 HA SER 43 -11.278 19.355 -2.269 1017 1HB SER 43 2HB SER 43 -8.853 19.835 -0.647 1018 2HB SER 43 3HB SER 43 -10.050 18.545 -0.535 1019 HG SER 43 HG SER 43 -8.113 17.672 -1.238 1020 H ARG 44 H ARG 44 -11.462 20.620 -0.071 1021 HA ARG 44 HA ARG 44 -10.546 23.283 0.062 1022 1HB ARG 44 2HB ARG 44 -12.674 24.450 -0.425 1023 2HB ARG 44 3HB ARG 44 -11.989 23.669 -1.844 1024 1HG ARG 44 2HG ARG 44 -13.563 21.833 -1.620 1025 2HG ARG 44 3HG ARG 44 -14.227 22.565 -0.158 1026 1HD ARG 44 2HD ARG 44 -14.209 24.476 -2.301 1027 2HD ARG 44 3HD ARG 44 -15.022 22.999 -2.816 1028 HE ARG 44 HE ARG 44 -16.043 23.596 -0.328 1029 1HH1 ARG 44 2HH1 ARG 44 -15.875 25.148 -3.440 1030 2HH1 ARG 44 1HH1 ARG 44 -17.356 26.023 -3.228 1031 1HH2 ARG 44 2HH2 ARG 44 -17.993 24.742 -0.037 1032 2HH2 ARG 44 1HH2 ARG 44 -18.559 25.793 -1.292 1033 H GLU 45 H GLU 45 -10.725 21.167 1.854 1034 HA GLU 45 HA GLU 45 -12.621 22.261 3.821 1035 1HB GLU 45 2HB GLU 45 -13.352 20.042 2.857 1036 2HB GLU 45 3HB GLU 45 -11.921 19.334 3.593 1037 1HG GLU 45 2HG GLU 45 -12.797 20.305 5.790 1038 2HG GLU 45 3HG GLU 45 -14.322 20.521 4.932 1039 H ARG 46 H ARG 46 -9.996 19.847 3.748 1040 HA ARG 46 HA ARG 46 -8.911 21.046 6.190 1041 1HB ARG 46 2HB ARG 46 -9.402 18.524 5.905 1042 2HB ARG 46 3HB ARG 46 -7.940 18.496 4.928 1043 1HG ARG 46 2HG ARG 46 -6.586 19.127 6.756 1044 2HG ARG 46 3HG ARG 46 -7.990 19.558 7.736 1045 1HD ARG 46 2HD ARG 46 -8.305 17.446 8.405 1046 2HD ARG 46 3HD ARG 46 -8.050 16.802 6.784 1047 HE ARG 46 HE ARG 46 -6.129 16.957 8.899 1048 1HH1 ARG 46 2HH1 ARG 46 -6.535 16.942 5.441 1049 2HH1 ARG 46 1HH1 ARG 46 -4.944 16.334 5.127 1050 1HH2 ARG 46 2HH2 ARG 46 -4.032 16.155 8.497 1051 2HH2 ARG 46 1HH2 ARG 46 -3.521 15.885 6.865 1052 H CYS 47 H CYS 47 -6.388 21.039 6.373 1053 HA CYS 47 HA CYS 47 -5.352 21.932 3.780 1054 1HB CYS 47 2HB CYS 47 -5.646 23.813 5.339 1055 2HB CYS 47 3HB CYS 47 -4.659 23.000 6.537 1056 H GLN 48 H GLN 48 -3.837 20.594 3.070 1057 HA GLN 48 HA GLN 48 -2.523 18.735 4.901 1058 1HB GLN 48 2HB GLN 48 -3.571 18.442 2.346 1059 2HB GLN 48 3HB GLN 48 -1.832 18.463 2.085 1060 1HG GLN 48 2HG GLN 48 -2.054 16.776 4.212 1061 2HG GLN 48 3HG GLN 48 -3.528 16.424 3.310 1062 1HE2 GLN 48 1HE2 GLN 48 -3.262 14.723 2.073 1063 2HE2 GLN 48 2HE2 GLN 48 -1.850 14.334 1.156 1064 H LEU 49 H LEU 49 -1.780 21.546 4.853 1065 HA LEU 49 HA LEU 49 1.045 21.229 4.096 1066 1HB LEU 49 2HB LEU 49 -0.791 23.031 2.977 1067 2HB LEU 49 3HB LEU 49 0.231 23.986 4.049 1068 HG LEU 49 HG LEU 49 1.621 22.148 2.192 1069 1HD1 LEU 49 1HD1 LEU 49 -0.105 24.406 1.301 1070 2HD1 LEU 49 2HD1 LEU 49 0.223 22.859 0.522 1071 3HD1 LEU 49 3HD1 LEU 49 1.439 24.134 0.493 1072 1HD2 LEU 49 1HD2 LEU 49 2.731 23.696 3.814 1073 2HD2 LEU 49 2HD2 LEU 49 2.096 25.045 2.872 1074 3HD2 LEU 49 3HD2 LEU 49 3.227 23.909 2.136 1075 H CYS 50 H CYS 50 -1.371 22.721 6.295 1076 HA CYS 50 HA CYS 50 0.828 23.028 8.198 1077 1HB CYS 50 2HB CYS 50 0.101 25.144 8.923 1078 2HB CYS 50 3HB CYS 50 0.073 25.243 7.173 1079 H ASN 51 H ASN 51 -1.493 21.146 7.438 1080 HA ASN 51 HA ASN 51 -2.983 19.780 8.478 1081 1HB ASN 51 2HB ASN 51 -0.892 20.159 10.264 1082 2HB ASN 51 3HB ASN 51 -2.328 20.478 11.233 1083 1HD2 ASN 51 1HD2 ASN 51 -2.183 18.652 12.462 1084 2HD2 ASN 51 2HD2 ASN 51 -2.433 17.062 11.832 1085 H GLY 52 H GLY 52 -3.508 22.754 8.120 1086 1HA GLY 52 1HA GLY 52 -5.152 23.664 10.222 1087 2HA GLY 52 2HA GLY 52 -5.198 24.242 8.563 1088 H MET 53 H MET 53 -7.477 23.979 10.180 1089 HA MET 53 HA MET 53 -8.898 21.832 8.751 1090 1HB MET 53 2HB MET 53 -8.804 22.449 11.628 1091 2HB MET 53 3HB MET 53 -10.420 22.190 10.986 1092 1HG MET 53 2HG MET 53 -10.015 20.035 11.377 1093 2HG MET 53 3HG MET 53 -9.062 20.104 9.896 1094 1HE MET 53 1HE MET 53 -9.095 20.347 13.720 1095 2HE MET 53 2HE MET 53 -8.918 18.642 13.310 1096 3HE MET 53 3HE MET 53 -7.616 19.487 14.147 1097 H GLY 54 H GLY 54 -9.750 23.112 7.149 1098 1HA GLY 54 1HA GLY 54 -12.135 24.237 7.200 1099 2HA GLY 54 2HA GLY 54 -11.192 25.541 7.906 1100 H HIS 55 H HIS 55 -9.011 25.821 6.511 1101 HA HIS 55 HA HIS 55 -9.971 26.612 3.891 1102 1HB HIS 55 2HB HIS 55 -7.800 27.766 3.694 1103 2HB HIS 55 3HB HIS 55 -8.642 28.205 5.178 1104 HD1 HIS 55 HD1 HIS 55 -7.738 26.949 7.396 1105 HD2 HIS 55 HD2 HIS 55 -5.267 26.835 4.057 1106 HE1 HIS 55 HE1 HIS 55 -5.464 26.318 8.264 1107 H ASN 56 H ASN 56 -7.866 26.463 2.247 1108 HA ASN 56 HA ASN 56 -7.257 23.583 2.101 1109 1HB ASN 56 2HB ASN 56 -8.920 24.540 0.396 1110 2HB ASN 56 3HB ASN 56 -7.538 25.375 -0.306 1111 1HD2 ASN 56 1HD2 ASN 56 -6.878 24.369 -2.050 1112 2HD2 ASN 56 2HD2 ASN 56 -6.749 22.657 -2.256 1113 H ALA 57 H ALA 57 -5.249 22.991 1.139 1114 HA ALA 57 HA ALA 57 -3.044 24.454 1.984 1115 1HB ALA 57 1HB ALA 57 -3.352 22.246 -0.023 1116 2HB ALA 57 2HB ALA 57 -1.780 22.972 0.318 1117 3HB ALA 57 3HB ALA 57 -2.683 22.178 1.608 1118 H LYS 58 H LYS 58 -4.570 24.324 -1.211 1119 HA LYS 58 HA LYS 58 -2.704 25.892 -2.592 1120 1HB LYS 58 2HB LYS 58 -5.059 24.596 -3.223 1121 2HB LYS 58 3HB LYS 58 -5.470 26.290 -3.450 1122 1HG LYS 58 2HG LYS 58 -4.713 25.408 -5.533 1123 2HG LYS 58 3HG LYS 58 -3.483 26.518 -4.921 1124 1HD LYS 58 2HD LYS 58 -2.969 23.870 -3.947 1125 2HD LYS 58 3HD LYS 58 -3.157 23.831 -5.702 1126 1HE LYS 58 2HE LYS 58 -1.321 25.679 -4.180 1127 2HE LYS 58 3HE LYS 58 -0.823 24.206 -5.011 1128 1HZ LYS 58 1HZ LYS 58 -1.956 25.354 -7.029 1129 2HZ LYS 58 2HZ LYS 58 -0.385 25.793 -6.581 1130 3HZ LYS 58 3HZ LYS 58 -1.694 26.771 -6.144 1131 H GLN 59 H GLN 59 -5.086 26.745 -0.267 1132 HA GLN 59 HA GLN 59 -4.593 29.596 -0.819 1133 1HB GLN 59 2HB GLN 59 -7.017 28.431 -1.024 1134 2HB GLN 59 3HB GLN 59 -7.035 28.857 0.682 1135 1HG GLN 59 2HG GLN 59 -7.193 31.060 0.271 1136 2HG GLN 59 3HG GLN 59 -6.150 30.981 -1.147 1137 1HE2 GLN 59 1HE2 GLN 59 -9.230 29.451 -0.269 1138 2HE2 GLN 59 2HE2 GLN 59 -10.082 29.963 -1.682 1139 H CYS 60 H CYS 60 -3.137 27.597 0.986 1140 HA CYS 60 HA CYS 60 -3.897 28.428 3.615 1141 1HB CYS 60 2HB CYS 60 -3.039 26.178 3.286 1142 2HB CYS 60 3HB CYS 60 -1.545 26.795 2.609 1143 H ARG 61 H ARG 61 -3.665 30.664 3.564 1144 HA ARG 61 HA ARG 61 -1.191 31.752 4.268 1145 1HB ARG 61 2HB ARG 61 -1.563 31.520 1.441 1146 2HB ARG 61 3HB ARG 61 -1.583 33.224 1.873 1147 1HG ARG 61 2HG ARG 61 0.575 31.374 2.828 1148 2HG ARG 61 3HG ARG 61 0.658 32.189 1.265 1149 1HD ARG 61 2HD ARG 61 0.005 34.243 2.936 1150 2HD ARG 61 3HD ARG 61 1.030 33.250 3.971 1151 HE ARG 61 HE ARG 61 1.843 34.771 1.663 1152 1HH1 ARG 61 2HH1 ARG 61 2.616 32.126 3.790 1153 2HH1 ARG 61 1HH1 ARG 61 4.314 32.175 3.446 1154 1HH2 ARG 61 2HH2 ARG 61 4.075 34.846 1.202 1155 2HH2 ARG 61 1HH2 ARG 61 5.143 33.723 1.975 1156 H LYS 62 H LYS 62 -4.204 32.533 2.552 1157 HA LYS 62 HA LYS 62 -4.469 35.173 3.422 1158 1HB LYS 62 2HB LYS 62 -5.974 33.379 1.898 1159 2HB LYS 62 3HB LYS 62 -7.030 33.821 3.233 1160 1HG LYS 62 2HG LYS 62 -6.649 36.202 2.697 1161 2HG LYS 62 3HG LYS 62 -5.688 35.703 1.302 1162 1HD LYS 62 2HD LYS 62 -7.514 35.315 0.078 1163 2HD LYS 62 3HD LYS 62 -8.268 34.380 1.371 1164 1HE LYS 62 2HE LYS 62 -9.133 36.352 2.393 1165 2HE LYS 62 3HE LYS 62 -8.184 37.391 1.330 1166 1HZ LYS 62 1HZ LYS 62 -10.767 36.476 0.927 1167 2HZ LYS 62 2HZ LYS 62 -9.808 35.663 -0.204 1168 3HZ LYS 62 3HZ LYS 62 -9.808 37.354 -0.155 1169 H ARG 63 H ARG 63 -6.593 35.731 4.793 1170 HA ARG 63 HA ARG 63 -6.600 34.120 7.245 1171 1HB ARG 63 2HB ARG 63 -5.043 36.206 7.298 1172 2HB ARG 63 3HB ARG 63 -6.544 37.115 7.415 1173 1HG ARG 63 2HG ARG 63 -6.797 36.609 9.567 1174 2HG ARG 63 3HG ARG 63 -6.435 34.904 9.293 1175 1HD ARG 63 2HD ARG 63 -4.185 35.183 9.662 1176 2HD ARG 63 3HD ARG 63 -4.209 36.881 9.190 1177 HE ARG 63 HE ARG 63 -4.652 37.438 11.362 1178 1HH1 ARG 63 2HH1 ARG 63 -5.302 34.049 10.907 1179 2HH1 ARG 63 1HH1 ARG 63 -5.568 33.741 12.591 1180 1HH2 ARG 63 2HH2 ARG 63 -5.000 37.045 13.582 1181 2HH2 ARG 63 1HH2 ARG 63 -5.397 35.445 14.111 1182 H ASP 64 H ASP 64 -8.447 34.535 8.636 1183 HA ASP 64 HA ASP 64 -10.667 36.006 7.462 1184 1HB ASP 64 2HB ASP 64 -10.942 33.822 6.449 1185 2HB ASP 64 3HB ASP 64 -10.781 33.036 8.018 Start of MODEL 13 1 1H5* C 160 1H5* C 160 26.569 30.997 -16.206 2 2H5* C 160 2H5* C 160 25.593 29.762 -15.411 3 H4* C 160 H4* C 160 27.484 29.871 -14.085 4 H3* C 160 H3* C 160 25.311 31.557 -12.869 5 H2* C 160 H2* C 160 26.718 32.014 -11.006 6 2HO* C 160 2HO* C 160 28.698 30.780 -10.870 7 H1* C 160 H1* C 160 28.904 32.713 -12.601 8 1H4 C 160 1H4 C 160 26.086 38.321 -11.500 9 2H4 C 160 2H4 C 160 24.816 37.916 -12.634 10 H5 C 160 H5 C 160 24.639 35.826 -13.719 11 H6 C 160 H6 C 160 25.647 33.588 -13.986 12 1H5* U 161 1H5* U 161 26.653 29.021 -9.881 13 2H5* U 161 2H5* U 161 25.354 28.138 -9.080 14 H4* U 161 H4* U 161 26.562 29.123 -7.342 15 H3* U 161 H3* U 161 24.074 30.699 -7.953 16 H2* U 161 H2* U 161 24.547 32.141 -6.118 17 2HO* U 161 2HO* U 161 26.722 31.396 -5.021 18 H1* U 161 H1* U 161 27.203 32.543 -6.899 19 H3 U 161 H3 U 161 25.146 36.505 -7.772 20 H5 U 161 H5 U 161 24.038 34.038 -10.969 21 H6 U 161 H6 U 161 25.089 32.176 -9.767 22 1H5* G 162 1H5* G 162 24.383 29.777 -3.961 23 2H5* G 162 2H5* G 162 22.957 29.094 -3.180 24 H4* G 162 H4* G 162 23.667 30.836 -1.780 25 H3* G 162 H3* G 162 21.286 31.611 -3.435 26 H2* G 162 H2* G 162 21.194 33.721 -2.333 27 2HO* G 162 2HO* G 162 23.382 33.594 -0.768 28 H1* G 162 H1* G 162 23.904 34.248 -2.747 29 H8 G 162 H8 G 162 22.605 32.484 -5.746 30 H1 G 162 H1 G 162 21.167 38.794 -5.690 31 1H2 G 162 1H2 G 162 21.599 39.582 -3.834 32 2H2 G 162 2H2 G 162 22.253 38.670 -2.493 33 1H5* C 163 1H5* C 163 20.533 32.590 0.382 34 2H5* C 163 2H5* C 163 19.011 32.034 1.077 35 H4* C 163 H4* C 163 19.045 34.332 1.484 36 H3* C 163 H3* C 163 17.313 33.689 -0.889 37 H2* C 163 H2* C 163 16.686 35.974 -1.042 38 2HO* C 163 2HO* C 163 17.234 37.333 0.748 39 H1* C 163 H1* C 163 19.315 36.907 -0.846 40 1H4 C 163 1H4 C 163 18.287 36.538 -7.132 41 2H4 C 163 2H4 C 163 18.582 34.815 -7.075 42 H5 C 163 H5 C 163 18.947 33.608 -5.079 43 H6 C 163 H6 C 163 19.121 33.759 -2.619 44 1H5* C 164 1H5* C 164 15.235 36.196 1.470 45 2H5* C 164 2H5* C 164 13.656 35.585 1.962 46 H4* C 164 H4* C 164 13.194 37.709 1.149 47 H3* C 164 H3* C 164 12.616 35.650 -0.967 48 H2* C 164 H2* C 164 11.791 37.359 -2.396 49 2HO* C 164 2HO* C 164 11.497 39.472 -1.428 50 H1* C 164 H1* C 164 13.991 39.033 -1.981 51 1H4 C 164 1H4 C 164 15.549 35.789 -7.246 52 2H4 C 164 2H4 C 164 15.985 34.406 -6.266 53 H5 C 164 H5 C 164 15.677 34.304 -3.926 54 H6 C 164 H6 C 164 14.868 35.513 -1.932 55 1H5* C 165 1H5* C 165 9.528 37.996 -0.608 56 2H5* C 165 2H5* C 165 7.880 37.370 -0.548 57 H4* C 165 H4* C 165 7.985 38.886 -2.363 58 H3* C 165 H3* C 165 7.943 36.006 -3.251 59 H2* C 165 H2* C 165 7.762 36.732 -5.500 60 2HO* C 165 2HO* C 165 7.000 38.805 -5.845 61 H1* C 165 H1* C 165 9.777 38.705 -5.162 62 1H4 C 165 1H4 C 165 12.748 33.866 -8.080 63 2H4 C 165 2H4 C 165 12.859 33.023 -6.551 64 H5 C 165 H5 C 165 11.874 33.794 -4.548 65 H6 C 165 H6 C 165 10.526 35.583 -3.508 66 1H5* U 166 1H5* U 166 4.629 38.102 -5.031 67 2H5* U 166 2H5* U 166 3.142 37.174 -4.839 68 H4* U 166 H4* U 166 3.271 37.815 -7.112 69 H3* U 166 H3* U 166 3.834 34.916 -6.620 70 H2* U 166 H2* U 166 4.145 34.526 -8.939 71 2HO* U 166 2HO* U 166 3.748 36.577 -10.283 72 H1* U 166 H1* U 166 5.822 36.780 -9.245 73 H3 U 166 H3 U 166 8.394 33.055 -9.970 74 H5 U 166 H5 U 166 8.272 33.509 -5.809 75 H6 U 166 H6 U 166 6.570 35.243 -6.146 76 1H5* C 167 1H5* C 167 0.307 34.741 -9.457 77 2H5* C 167 2H5* C 167 -0.575 33.291 -8.978 78 H4* C 167 H4* C 167 0.204 33.217 -11.311 79 H3* C 167 H3* C 167 1.193 31.145 -9.368 80 H2* C 167 H2* C 167 2.300 30.019 -11.140 81 2HO* C 167 2HO* C 167 1.875 31.217 -13.324 82 H1* C 167 H1* C 167 3.420 32.397 -12.160 83 1H4 C 167 1H4 C 167 8.058 29.834 -8.596 84 2H4 C 167 2H4 C 167 7.309 30.502 -7.162 85 H5 C 167 H5 C 167 5.232 31.626 -7.165 86 H6 C 167 H6 C 167 3.344 32.395 -8.557 87 1H5* A 168 1H5* A 168 -4.071 29.320 -11.263 88 2H5* A 168 2H5* A 168 -3.847 30.771 -10.286 89 H4* A 168 H4* A 168 -3.748 28.541 -8.524 90 H3* A 168 H3* A 168 -5.988 28.346 -10.545 91 H2* A 168 H2* A 168 -7.407 27.615 -8.849 92 2HO* A 168 2HO* A 168 -6.384 26.619 -6.984 93 H1* A 168 H1* A 168 -5.882 29.211 -6.883 94 H8 A 168 H8 A 168 -8.618 29.294 -9.541 95 1H6 A 168 1H6 A 168 -11.717 32.982 -5.574 96 2H6 A 168 2H6 A 168 -11.824 32.139 -7.102 97 H2 A 168 H2 A 168 -7.690 32.186 -3.874 98 1H5* U 169 1H5* U 169 -5.203 28.398 -12.630 99 2H5* U 169 2H5* U 169 -5.625 27.217 -13.870 100 H4* U 169 H4* U 169 -2.979 28.618 -13.475 101 H3* U 169 H3* U 169 -5.200 28.901 -15.435 102 H2* U 169 H2* U 169 -3.701 29.164 -17.265 103 2HO* U 169 2HO* U 169 -1.386 28.727 -15.792 104 H1* U 169 H1* U 169 -2.228 26.893 -16.657 105 H3 U 169 H3 U 169 -4.857 25.965 -20.308 106 H5 U 169 H5 U 169 -7.241 25.111 -16.972 107 H6 U 169 H6 U 169 -5.504 26.151 -15.588 108 1H5* C 170 1H5* C 170 -6.097 30.531 -13.781 109 2H5* C 170 2H5* C 170 -7.447 31.607 -14.139 110 H4* C 170 H4* C 170 -7.153 31.689 -11.807 111 H3* C 170 H3* C 170 -6.033 34.130 -13.167 112 H2* C 170 H2* C 170 -5.590 35.086 -11.036 113 2HO* C 170 2HO* C 170 -7.352 34.412 -9.880 114 H1* C 170 H1* C 170 -4.373 32.746 -10.066 115 1H4 C 170 1H4 C 170 0.503 36.340 -12.080 116 2H4 C 170 2H4 C 170 0.194 35.823 -13.723 117 H5 C 170 H5 C 170 -1.641 34.479 -14.357 118 H6 C 170 H6 C 170 -3.652 33.287 -13.562 119 1H5* C 171 1H5* C 171 -9.591 37.120 -13.699 120 2H5* C 171 2H5* C 171 -8.100 38.042 -13.892 121 H4* C 171 H4* C 171 -9.408 37.074 -11.478 122 H3* C 171 H3* C 171 -7.350 39.182 -12.135 123 H2* C 171 H2* C 171 -6.931 39.425 -9.817 124 2HO* C 171 2HO* C 171 -8.483 38.499 -8.368 125 H1* C 171 H1* C 171 -6.942 36.604 -9.401 126 1H4 C 171 1H4 C 171 -0.803 38.442 -9.411 127 2H4 C 171 2H4 C 171 -0.770 38.151 -11.136 128 H5 C 171 H5 C 171 -2.678 37.604 -12.416 129 H6 C 171 H6 C 171 -5.112 37.194 -12.354 130 1H5* G 172 1H5* G 172 -10.730 42.173 -10.811 131 2H5* G 172 2H5* G 172 -10.548 43.414 -12.050 132 H4* G 172 H4* G 172 -10.084 44.363 -9.894 133 H3* G 172 H3* G 172 -7.729 44.088 -11.739 134 H2* G 172 H2* G 172 -6.357 45.224 -10.156 135 2HO* G 172 2HO* G 172 -8.420 45.410 -8.260 136 H1* G 172 H1* G 172 -7.172 43.604 -8.033 137 H8 G 172 H8 G 172 -6.863 41.704 -11.265 138 H1 G 172 H1 G 172 -1.320 42.213 -7.961 139 1H2 G 172 1H2 G 172 -1.574 43.523 -6.389 140 2H2 G 172 2H2 G 172 -3.065 44.359 -6.021 141 1H5* U 173 1H5* U 173 -8.028 48.079 -10.359 142 2H5* U 173 2H5* U 173 -7.968 49.249 -11.677 143 H4* U 173 H4* U 173 -6.440 50.025 -10.077 144 H3* U 173 H3* U 173 -5.105 48.723 -12.418 145 H2* U 173 H2* U 173 -2.957 49.151 -11.496 146 2HO* U 173 2HO* U 173 -3.480 50.269 -9.153 147 H1* U 173 H1* U 173 -3.695 48.150 -8.961 148 H3 U 173 H3 U 173 -0.599 45.231 -10.624 149 H5 U 173 H5 U 173 -4.193 44.152 -12.482 150 H6 U 173 H6 U 173 -5.185 46.176 -11.518 151 1H5* C 174 1H5* C 174 -3.080 52.521 -12.125 152 2H5* C 174 2H5* C 174 -3.068 53.253 -13.730 153 H4* C 174 H4* C 174 -0.825 53.185 -12.963 154 H3* C 174 H3* C 174 -1.450 51.194 -15.118 155 H2* C 174 H2* C 174 0.808 50.467 -15.145 156 2HO* C 174 2HO* C 174 2.176 51.789 -13.495 157 H1* C 174 H1* C 174 0.911 50.323 -12.307 158 1H4 C 174 1H4 C 174 0.132 44.284 -14.240 159 2H4 C 174 2H4 C 174 -1.583 44.578 -14.418 160 H5 C 174 H5 C 174 -2.591 46.697 -14.141 161 H6 C 174 H6 C 174 -2.195 49.078 -13.620 162 1H5* U 175 1H5* U 175 -2.448 55.497 -18.180 163 2H5* U 175 2H5* U 175 -1.796 54.157 -19.123 164 H4* U 175 H4* U 175 -1.074 56.064 -20.249 165 H3* U 175 H3* U 175 1.108 54.912 -18.545 166 H2* U 175 H2* U 175 2.615 56.591 -19.272 167 2HO* U 175 2HO* U 175 1.063 58.075 -20.888 168 H1* U 175 H1* U 175 0.673 58.645 -18.907 169 H3 U 175 H3 U 175 4.132 59.527 -16.033 170 H5 U 175 H5 U 175 1.806 56.636 -14.093 171 H6 U 175 H6 U 175 0.542 56.394 -16.180 172 1H5* C 176 1H5* C 176 2.209 52.262 -18.809 173 2H5* C 176 2H5* C 176 2.577 53.417 -17.527 174 H4* C 176 H4* C 176 5.043 53.087 -18.210 175 H3* C 176 H3* C 176 3.763 50.927 -19.825 176 H2* C 176 H2* C 176 5.454 49.365 -19.226 177 2HO* C 176 2HO* C 176 7.227 50.705 -19.190 178 H1* C 176 H1* C 176 5.239 49.857 -16.503 179 1H4 C 176 1H4 C 176 1.175 45.065 -17.787 180 2H4 C 176 2H4 C 176 -0.107 46.252 -17.882 181 H5 C 176 H5 C 176 0.251 48.585 -17.794 182 H6 C 176 H6 C 176 1.943 50.371 -17.591 183 1H5* G 177 1H5* G 177 8.295 50.598 -21.282 184 2H5* G 177 2H5* G 177 7.859 50.657 -22.990 185 H4* G 177 H4* G 177 9.298 48.732 -22.371 186 H3* G 177 H3* G 177 6.612 48.295 -23.644 187 H2* G 177 H2* G 177 7.043 45.954 -23.749 188 2HO* G 177 2HO* G 177 9.547 46.412 -22.461 189 H1* G 177 H1* G 177 7.799 45.799 -21.067 190 H8 G 177 H8 G 177 5.043 48.244 -21.195 191 H1 G 177 H1 G 177 2.959 42.130 -21.589 192 1H2 G 177 1H2 G 177 4.562 40.876 -21.919 193 2H2 G 177 2H2 G 177 6.224 41.402 -22.067 194 1H5* C 178 1H5* C 178 9.480 46.345 -26.219 195 2H5* C 178 2H5* C 178 9.014 46.507 -27.912 196 H4* C 178 H4* C 178 9.217 44.167 -27.245 197 H3* C 178 H3* C 178 6.501 45.167 -28.073 198 H2* C 178 H2* C 178 5.657 42.951 -27.929 199 2HO* C 178 2HO* C 178 8.192 41.982 -27.111 200 H1* C 178 H1* C 178 6.847 42.494 -25.416 201 1H4 C 178 1H4 C 178 0.820 44.159 -24.100 202 2H4 C 178 2H4 C 178 1.276 45.843 -24.224 203 H5 C 178 H5 C 178 3.413 46.581 -24.908 204 H6 C 178 H6 C 178 5.661 45.876 -25.649 205 1H5* U 179 1H5* U 179 7.158 41.890 -30.999 206 2H5* U 179 2H5* U 179 6.454 42.500 -32.496 207 H4* U 179 H4* U 179 5.424 40.399 -31.747 208 H3* U 179 H3* U 179 3.703 42.864 -31.930 209 H2* U 179 H2* U 179 1.792 41.543 -31.454 210 2HO* U 179 2HO* U 179 2.812 39.101 -31.126 211 H1* U 179 H1* U 179 3.082 40.190 -29.327 212 H3 U 179 H3 U 179 -0.377 42.742 -27.655 213 H5 U 179 H5 U 179 2.945 45.286 -27.822 214 H6 U 179 H6 U 179 4.099 43.534 -29.091 215 1H5* U 180 1H5* U 180 2.097 39.907 -34.085 216 2H5* U 180 2H5* U 180 1.389 40.240 -35.667 217 H4* U 180 H4* U 180 -0.288 39.226 -34.324 218 H3* U 180 H3* U 180 -0.691 42.151 -34.837 219 H2* U 180 H2* U 180 -2.726 42.130 -33.619 220 2HO* U 180 2HO* U 180 -3.372 40.086 -34.414 221 H1* U 180 H1* U 180 -1.583 40.651 -31.483 222 H3 U 180 H3 U 180 -2.541 44.635 -29.543 223 H5 U 180 H5 U 180 0.772 45.466 -31.965 224 H6 U 180 H6 U 180 0.558 43.196 -32.867 225 1H5* A 181 1H5* A 181 -3.439 40.603 -38.576 226 2H5* A 181 2H5* A 181 -3.343 42.121 -39.468 227 H4* A 181 H4* A 181 -5.607 41.489 -38.528 228 H3* A 181 H3* A 181 -4.325 44.169 -38.056 229 H2* A 181 H2* A 181 -6.290 44.906 -36.946 230 2HO* A 181 2HO* A 181 -7.776 43.899 -38.304 231 H1* A 181 H1* A 181 -6.476 42.616 -35.350 232 H8 A 181 H8 A 181 -2.911 43.662 -35.835 233 1H6 A 181 1H6 A 181 -3.672 47.355 -30.862 234 2H6 A 181 2H6 A 181 -2.492 46.714 -31.984 235 H2 A 181 H2 A 181 -7.644 45.721 -32.000 236 1H5* U 182 1H5* U 182 -3.330 44.342 -40.298 237 2H5* U 182 2H5* U 182 -2.956 45.889 -41.059 238 H4* U 182 H4* U 182 -3.022 43.160 -42.207 239 H3* U 182 H3* U 182 -1.307 45.606 -42.460 240 H2* U 182 H2* U 182 -0.597 44.932 -44.624 241 2HO* U 182 2HO* U 182 -0.477 42.718 -44.118 242 H1* U 182 H1* U 182 -3.173 44.432 -45.546 243 H3 U 182 H3 U 182 -1.891 48.303 -47.586 244 H5 U 182 H5 U 182 -3.144 49.487 -43.769 245 H6 U 182 H6 U 182 -3.302 47.110 -43.190 246 1H5* U 183 1H5* U 183 2.893 42.898 -40.312 247 2H5* U 183 2H5* U 183 1.890 43.497 -38.991 248 H4* U 183 H4* U 183 4.009 44.491 -38.719 249 H3* U 183 H3* U 183 1.989 46.410 -39.860 250 H2* U 183 H2* U 183 3.586 48.158 -39.696 251 2HO* U 183 2HO* U 183 5.718 47.316 -38.666 252 H1* U 183 H1* U 183 5.641 46.567 -40.822 253 H3 U 183 H3 U 183 4.956 49.822 -43.918 254 H5 U 183 H5 U 183 1.697 47.238 -44.407 255 H6 U 183 H6 U 183 2.456 46.059 -42.395 256 1H5* C 184 1H5* C 184 -0.913 47.064 -35.403 257 2H5* C 184 2H5* C 184 -0.182 48.616 -35.816 258 H4* C 184 H4* C 184 -0.037 47.042 -33.292 259 H3* C 184 H3* C 184 -0.436 49.933 -34.035 260 H2* C 184 H2* C 184 0.452 50.609 -32.002 261 2HO* C 184 2HO* C 184 -0.626 49.453 -30.505 262 H1* C 184 H1* C 184 2.111 48.150 -31.908 263 1H4 C 184 1H4 C 184 5.647 53.704 -33.118 264 2H4 C 184 2H4 C 184 6.525 52.817 -31.893 265 H5 C 184 H5 C 184 5.799 50.761 -30.984 266 H6 C 184 H6 C 184 4.035 49.033 -31.027 267 1H5* G 185 1H5* G 185 -3.430 52.424 -31.035 268 2H5* G 185 2H5* G 185 -1.910 52.399 -31.929 269 H4* G 185 H4* G 185 -1.672 51.262 -29.242 270 H3* G 185 H3* G 185 -2.804 54.030 -29.529 271 H2* G 185 H2* G 185 -1.448 54.773 -27.716 272 2HO* G 185 2HO* G 185 -0.359 53.142 -26.491 273 H1* G 185 H1* G 185 0.883 53.673 -28.783 274 H8 G 185 H8 G 185 1.484 56.203 -28.671 275 H1 G 185 H1 G 185 -2.464 57.443 -33.647 276 1H2 G 185 1H2 G 185 -3.615 55.779 -34.044 277 2H2 G 185 2H2 G 185 -3.525 54.272 -33.160 278 1H5* G 186 1H5* G 186 -2.739 54.313 -26.028 279 2H5* G 186 2H5* G 186 -3.190 53.349 -24.621 280 H4* G 186 H4* G 186 -3.286 55.627 -23.977 281 H3* G 186 H3* G 186 -5.960 54.319 -24.305 282 H2* G 186 H2* G 186 -7.062 56.318 -23.625 283 2HO* G 186 2HO* G 186 -5.853 57.525 -22.286 284 H1* G 186 H1* G 186 -5.643 57.914 -25.420 285 H8 G 186 H8 G 186 -7.012 54.370 -26.007 286 H1 G 186 H1 G 186 -10.158 59.134 -29.054 287 1H2 G 186 1H2 G 186 -9.292 60.945 -28.581 288 2H2 G 186 2H2 G 186 -7.918 61.142 -27.515 289 1H5* G 187 1H5* G 187 -7.254 51.617 -21.609 290 2H5* G 187 2H5* G 187 -6.218 51.769 -23.028 291 H4* G 187 H4* G 187 -9.242 51.907 -23.033 292 H3* G 187 H3* G 187 -7.356 49.635 -23.497 293 H2* G 187 H2* G 187 -8.686 48.819 -25.298 294 2HO* G 187 2HO* G 187 -10.777 49.634 -25.487 295 H1* G 187 H1* G 187 -8.789 51.298 -26.572 296 H8 G 187 H8 G 187 -5.406 51.105 -25.146 297 H1 G 187 H1 G 187 -6.041 47.493 -30.478 298 1H2 G 187 1H2 G 187 -8.038 47.326 -30.964 299 2H2 G 187 2H2 G 187 -9.346 48.056 -30.060 300 1H5* G 188 1H5* G 188 -11.055 47.842 -24.280 301 2H5* G 188 2H5* G 188 -11.282 46.752 -22.912 302 H4* G 188 H4* G 188 -11.797 45.423 -24.733 303 H3* G 188 H3* G 188 -8.944 44.938 -23.919 304 H2* G 188 H2* G 188 -8.771 43.233 -25.574 305 2HO* G 188 2HO* G 188 -10.667 42.346 -26.270 306 H1* G 188 H1* G 188 -9.826 44.858 -27.590 307 H8 G 188 H8 G 188 -7.726 47.086 -25.557 308 H1 G 188 H1 G 188 -4.225 43.268 -29.438 309 1H2 G 188 1H2 G 188 -5.431 41.786 -30.215 310 2H2 G 188 2H2 G 188 -7.135 41.605 -29.868 311 1H5* A 189 1H5* A 189 -10.497 40.683 -23.953 312 2H5* A 189 2H5* A 189 -9.604 40.020 -22.584 313 H4* A 189 H4* A 189 -9.187 38.898 -24.783 314 H3* A 189 H3* A 189 -6.931 40.035 -23.148 315 H2* A 189 H2* A 189 -5.372 39.098 -24.684 316 2HO* A 189 2HO* A 189 -6.971 38.011 -26.533 317 H1* A 189 H1* A 189 -6.733 40.101 -26.922 318 H8 A 189 H8 A 189 -6.824 42.642 -24.212 319 1H6 A 189 1H6 A 189 -1.209 44.532 -26.175 320 2H6 A 189 2H6 A 189 -2.547 44.924 -25.119 321 H2 A 189 H2 A 189 -2.199 40.728 -28.247 322 1H5* G 190 1H5* G 190 -5.872 35.732 -23.886 323 2H5* G 190 2H5* G 190 -5.458 35.151 -22.273 324 H4* G 190 H4* G 190 -3.709 34.513 -23.757 325 H3* G 190 H3* G 190 -2.983 36.726 -21.858 326 H2* G 190 H2* G 190 -0.740 36.672 -22.660 327 2HO* G 190 2HO* G 190 -0.981 34.833 -24.635 328 H1* G 190 H1* G 190 -1.514 36.789 -25.339 329 H8 G 190 H8 G 190 -3.848 38.922 -23.401 330 H1 G 190 H1 G 190 1.809 41.820 -24.617 331 1H2 G 190 1H2 G 190 3.149 40.434 -25.351 332 2H2 G 190 2H2 G 190 2.792 38.740 -25.598 333 1H5* C 191 1H5* C 191 -0.105 33.518 -20.969 334 2H5* C 191 2H5* C 191 0.519 33.745 -19.335 335 H4* C 191 H4* C 191 2.204 34.005 -21.164 336 H3* C 191 H3* C 191 1.722 36.207 -19.169 337 H2* C 191 H2* C 191 3.559 37.406 -20.087 338 2HO* C 191 2HO* C 191 4.216 35.703 -22.115 339 H1* C 191 H1* C 191 2.677 37.028 -22.732 340 1H4 C 191 1H4 C 191 0.571 42.804 -20.917 341 2H4 C 191 2H4 C 191 -0.930 42.048 -20.432 342 H5 C 191 H5 C 191 -1.284 39.713 -20.420 343 H6 C 191 H6 C 191 -0.273 37.506 -20.873 344 1H5* G 192 1H5* G 192 5.839 35.614 -19.253 345 2H5* G 192 2H5* G 192 6.381 35.140 -17.643 346 H4* G 192 H4* G 192 7.883 36.796 -18.301 347 H3* G 192 H3* G 192 5.795 37.915 -16.451 348 H2* G 192 H2* G 192 6.908 40.022 -16.476 349 2HO* G 192 2HO* G 192 8.845 39.292 -18.325 350 H1* G 192 H1* G 192 7.062 40.098 -19.262 351 H8 G 192 H8 G 192 3.806 38.559 -18.468 352 H1 G 192 H1 G 192 3.768 44.987 -17.712 353 1H2 G 192 1H2 G 192 5.702 45.699 -17.780 354 2H2 G 192 2H2 G 192 7.123 44.704 -18.008 355 1H5* G 193 1H5* G 193 9.476 39.051 -15.169 356 2H5* G 193 2H5* G 193 9.804 38.852 -13.448 357 H4* G 193 H4* G 193 10.302 41.102 -14.011 358 H3* G 193 H3* G 193 7.768 40.777 -12.429 359 H2* G 193 H2* G 193 7.538 43.147 -12.319 360 2HO* G 193 2HO* G 193 9.555 43.963 -12.208 361 H1* G 193 H1* G 193 7.904 43.483 -15.064 362 H8 G 193 H8 G 193 5.976 40.371 -14.739 363 H1 G 193 H1 G 193 2.327 45.636 -13.815 364 1H2 G 193 1H2 G 193 3.543 47.288 -13.599 365 2H2 G 193 2H2 G 193 5.291 47.251 -13.659 366 1H5* A 194 1H5* A 194 9.711 43.993 -9.924 367 2H5* A 194 2H5* A 194 10.070 42.948 -8.549 368 H4* A 194 H4* A 194 9.096 44.823 -7.584 369 H3* A 194 H3* A 194 7.140 42.578 -7.826 370 H2* A 194 H2* A 194 5.400 43.899 -6.881 371 2HO* A 194 2HO* A 194 6.815 46.256 -6.689 372 H1* A 194 H1* A 194 5.894 46.057 -8.607 373 H8 A 194 H8 A 194 6.214 42.649 -10.199 374 1H6 A 194 1H6 A 194 0.169 43.193 -11.657 375 2H6 A 194 2H6 A 194 1.601 42.215 -11.889 376 H2 A 194 H2 A 194 1.274 46.592 -9.017 377 1H5* C 195 1H5* C 195 6.735 43.543 -3.566 378 2H5* C 195 2H5* C 195 6.375 42.025 -2.745 379 H4* C 195 H4* C 195 4.574 43.771 -2.652 380 H3* C 195 H3* C 195 3.993 41.015 -3.740 381 H2* C 195 H2* C 195 1.695 41.572 -3.773 382 2HO* C 195 2HO* C 195 1.275 43.805 -2.742 383 H1* C 195 H1* C 195 2.240 44.187 -4.805 384 1H4 C 195 1H4 C 195 -0.051 40.749 -9.699 385 2H4 C 195 2H4 C 195 1.584 40.228 -10.042 386 H5 C 195 H5 C 195 3.438 40.721 -8.666 387 H6 C 195 H6 C 195 4.189 41.844 -6.599 388 1H5* G 196 1H5* G 196 2.681 40.096 0.687 389 2H5* G 196 2H5* G 196 3.414 38.507 0.898 390 H4* G 196 H4* G 196 1.049 38.280 1.120 391 H3* G 196 H3* G 196 2.237 37.093 -1.360 392 H2* G 196 H2* G 196 0.101 36.299 -2.053 393 2HO* G 196 2HO* G 196 -1.649 37.011 -0.358 394 H1* G 196 H1* G 196 -1.120 38.797 -1.632 395 H8 G 196 H8 G 196 2.329 39.029 -3.119 396 H1 G 196 H1 G 196 -2.384 38.258 -7.487 397 1H2 G 196 1H2 G 196 -4.158 37.845 -6.520 398 2H2 G 196 2H2 G 196 -4.341 37.726 -4.785 399 1H5* A 197 1H5* A 197 3.598 35.881 3.124 400 2H5* A 197 2H5* A 197 4.835 34.729 2.620 401 H4* A 197 H4* A 197 4.151 34.129 4.810 402 H3* A 197 H3* A 197 3.163 32.277 2.665 403 H2* A 197 H2* A 197 1.901 31.079 4.165 404 2HO* A 197 2HO* A 197 2.971 31.644 6.544 405 H1* A 197 H1* A 197 1.927 33.422 6.036 406 H8 A 197 H8 A 197 -0.238 32.807 2.954 407 1H6 A 197 1H6 A 197 -4.888 31.801 6.993 408 2H6 A 197 2H6 A 197 -4.490 31.941 5.296 409 H2 A 197 H2 A 197 -1.140 32.392 9.307 410 1H5* U 198 1H5* U 198 7.834 32.874 3.670 411 2H5* U 198 2H5* U 198 8.910 31.499 3.918 412 H4* U 198 H4* U 198 6.415 31.700 5.560 413 H3* U 198 H3* U 198 8.546 33.696 5.669 414 H2* U 198 H2* U 198 9.632 32.644 7.398 415 2HO* U 198 2HO* U 198 8.224 34.276 8.327 416 H1* U 198 H1* U 198 7.051 31.047 7.842 417 H3 U 198 H3 U 198 8.587 27.711 10.407 418 H5 U 198 H5 U 198 12.108 29.639 9.213 419 H6 U 198 H6 U 198 10.718 31.101 7.819 420 1H5* G 199 1H5* G 199 8.000 36.353 3.974 421 2H5* G 199 2H5* G 199 9.466 35.644 4.652 422 H4* G 199 H4* G 199 9.430 38.159 4.066 423 H3* G 199 H3* G 199 10.576 36.931 6.551 424 H2* G 199 H2* G 199 11.272 39.070 7.322 425 2HO* G 199 2HO* G 199 10.823 40.865 5.731 426 H1* G 199 H1* G 199 8.808 40.265 6.925 427 H8 G 199 H8 G 199 9.234 36.615 8.036 428 H1 G 199 H1 G 199 7.639 40.794 12.714 429 1H2 G 199 1H2 G 199 7.551 42.700 11.933 430 2H2 G 199 2H2 G 199 7.863 43.107 10.260 431 1H5* A 200 1H5* A 200 11.811 37.299 8.071 432 2H5* A 200 2H5* A 200 13.541 37.448 8.382 433 H4* A 200 H4* A 200 12.727 35.858 9.917 434 H3* A 200 H3* A 200 14.311 34.691 7.673 435 H2* A 200 H2* A 200 13.978 32.475 8.477 436 2HO* A 200 2HO* A 200 12.276 33.166 10.553 437 H1* A 200 H1* A 200 11.252 32.660 8.615 438 H8 A 200 H8 A 200 11.562 34.887 5.849 439 1H6 A 200 1H6 A 200 13.038 30.094 2.133 440 2H6 A 200 2H6 A 200 12.543 31.773 2.154 441 H2 A 200 H2 A 200 13.370 28.737 6.351 442 1H5* C 201 1H5* C 201 17.892 33.354 10.820 443 2H5* C 201 2H5* C 201 17.713 31.856 9.909 444 H4* C 201 H4* C 201 15.515 33.433 11.263 445 H3* C 201 H3* C 201 16.908 30.848 11.944 446 H2* C 201 H2* C 201 14.907 30.096 12.994 447 2HO* C 201 2HO* C 201 13.253 31.672 13.338 448 H1* C 201 H1* C 201 13.322 30.901 10.792 449 1H4 C 201 1H4 C 201 14.357 24.587 10.234 450 2H4 C 201 2H4 C 201 15.650 24.970 9.121 451 H5 C 201 H5 C 201 16.415 27.164 8.697 452 H6 C 201 H6 C 201 16.123 29.555 9.241 453 1H5* C 202 1H5* C 202 14.918 32.591 15.052 454 2H5* C 202 2H5* C 202 15.665 32.668 16.647 455 H4* C 202 H4* C 202 13.465 31.802 16.907 456 H3* C 202 H3* C 202 15.667 29.811 17.310 457 H2* C 202 H2* C 202 14.095 28.110 17.829 458 2HO* C 202 2HO* C 202 11.765 29.425 17.470 459 H1* C 202 H1* C 202 12.475 28.708 15.604 460 1H4 C 202 1H4 C 202 16.200 23.804 13.842 461 2H4 C 202 2H4 C 202 17.363 24.963 13.237 462 H5 C 202 H5 C 202 17.174 27.297 13.538 463 H6 C 202 H6 C 202 15.809 29.114 14.505 464 1H5* C 203 1H5* C 203 13.210 29.700 20.878 465 2H5* C 203 2H5* C 203 14.196 29.455 22.319 466 H4* C 203 H4* C 203 12.524 27.717 22.129 467 H3* C 203 H3* C 203 15.394 26.869 21.802 468 H2* C 203 H2* C 203 14.694 24.595 21.738 469 2HO* C 203 2HO* C 203 12.433 24.194 22.239 470 H1* C 203 H1* C 203 12.685 25.104 19.846 471 1H4 C 203 1H4 C 203 17.738 23.155 16.445 472 2H4 C 203 2H4 C 203 18.315 24.806 16.407 473 H5 C 203 H5 C 203 17.304 26.582 17.591 474 H6 C 203 H6 C 203 15.472 27.217 19.120 475 1H5* U 204 1H5* U 204 13.554 24.641 24.549 476 2H5* U 204 2H5* U 204 14.316 24.377 26.117 477 H4* U 204 H4* U 204 13.721 22.250 25.272 478 H3* U 204 H3* U 204 16.669 22.813 25.116 479 H2* U 204 H2* U 204 17.048 20.602 24.318 480 2HO* U 204 2HO* U 204 15.267 19.131 24.431 481 H1* U 204 H1* U 204 15.076 20.778 22.354 482 H3 U 204 H3 U 204 19.194 20.914 20.313 483 H5 U 204 H5 U 204 18.309 24.882 21.318 484 H6 U 204 H6 U 204 16.406 24.027 22.606 485 1H5* A 205 1H5* A 205 16.683 20.431 29.197 486 2H5* A 205 2H5* A 205 18.266 20.874 29.836 487 H4* A 205 H4* A 205 18.005 18.546 28.839 488 H3* A 205 H3* A 205 20.233 20.429 28.093 489 H2* A 205 H2* A 205 21.225 18.704 26.799 490 2HO* A 205 2HO* A 205 19.164 16.883 27.401 491 H1* A 205 H1* A 205 18.805 18.013 25.551 492 H8 A 205 H8 A 205 18.872 21.692 25.782 493 1H6 A 205 1H6 A 205 22.416 21.729 20.645 494 2H6 A 205 2H6 A 205 21.485 22.736 21.733 495 H2 A 205 H2 A 205 22.142 17.545 22.115 496 1H5* G 206 1H5* G 206 23.213 18.880 26.941 497 2H5* G 206 2H5* G 206 24.255 18.833 28.362 498 H4* G 206 H4* G 206 23.698 21.234 26.608 499 H3* G 206 H3* G 206 25.961 19.296 26.737 500 H2* G 206 H2* G 206 27.577 21.027 26.466 501 2HO* G 206 2HO* G 206 25.844 23.161 26.548 502 H1* G 206 H1* G 206 26.509 22.585 28.518 503 H8 G 206 H8 G 206 26.194 19.018 29.505 504 H1 G 206 H1 G 206 32.125 21.412 30.490 505 1H2 G 206 1H2 G 206 32.286 23.252 29.573 506 2H2 G 206 2H2 G 206 31.005 24.031 28.672 507 1H5* U 207 1H5* U 207 25.169 20.153 21.604 508 2H5* U 207 2H5* U 207 26.839 20.126 21.041 509 H4* U 207 H4* U 207 25.339 22.001 20.195 510 H3* U 207 H3* U 207 28.076 22.448 21.362 511 H2* U 207 H2* U 207 27.916 24.757 20.831 512 2HO* U 207 2HO* U 207 25.342 24.614 19.785 513 H1* U 207 H1* U 207 25.350 25.023 21.914 514 H3 U 207 H3 U 207 27.636 27.195 25.114 515 H5 U 207 H5 U 207 29.011 23.257 25.492 516 H6 U 207 H6 U 207 27.681 22.707 23.507 517 1H5* A 208 1H5* A 208 30.573 23.546 16.740 518 2H5* A 208 2H5* A 208 29.433 23.307 15.418 519 H4* A 208 H4* A 208 31.360 21.958 15.011 520 H3* A 208 H3* A 208 28.846 20.500 15.693 521 H2* A 208 H2* A 208 29.933 18.391 15.554 522 2HO* A 208 2HO* A 208 32.393 19.705 14.991 523 H1* A 208 H1* A 208 32.063 19.177 17.188 524 H8 A 208 H8 A 208 28.431 20.231 17.815 525 1H6 A 208 1H6 A 208 28.420 15.786 22.196 526 2H6 A 208 2H6 A 208 27.468 17.061 21.467 527 H2 A 208 H2 A 208 32.349 15.687 20.125 528 1H5* G 209 1H5* G 209 29.054 19.000 12.282 529 2H5* G 209 2H5* G 209 27.538 18.676 11.439 530 H4* G 209 H4* G 209 28.211 16.898 13.031 531 H3* G 209 H3* G 209 25.574 18.303 13.335 532 H2* G 209 H2* G 209 24.998 16.838 15.124 533 2HO* G 209 2HO* G 209 27.269 15.407 15.374 534 H1* G 209 H1* G 209 27.421 17.249 16.457 535 H8 G 209 H8 G 209 26.337 20.456 14.911 536 H1 G 209 H1 G 209 23.376 19.196 20.527 537 1H2 G 209 1H2 G 209 23.775 17.255 21.095 538 2H2 G 209 2H2 G 209 24.764 16.135 20.186 539 1H5* A 210 1H5* A 210 24.622 13.890 13.975 540 2H5* A 210 2H5* A 210 23.170 13.785 12.977 541 H4* A 210 H4* A 210 22.807 13.046 15.299 542 H3* A 210 H3* A 210 21.244 15.402 14.260 543 H2* A 210 H2* A 210 19.966 15.400 16.261 544 2HO* A 210 2HO* A 210 20.755 13.490 17.752 545 H1* A 210 H1* A 210 22.242 15.161 17.904 546 H8 A 210 H8 A 210 22.886 17.513 15.081 547 1H6 A 210 1H6 A 210 20.415 21.995 18.652 548 2H6 A 210 2H6 A 210 21.288 21.685 17.168 549 H2 A 210 H2 A 210 19.686 18.084 20.628 550 1H5* G 211 1H5* G 211 17.887 12.218 15.149 551 2H5* G 211 2H5* G 211 16.754 12.654 13.871 552 H4* G 211 H4* G 211 15.817 12.681 16.192 553 H3* G 211 H3* G 211 15.656 15.078 14.387 554 H2* G 211 H2* G 211 14.345 16.216 16.019 555 2HO* G 211 2HO* G 211 14.366 14.425 18.035 556 H1* G 211 H1* G 211 16.125 15.658 18.092 557 H8 G 211 H8 G 211 18.250 16.247 15.150 558 H1 G 211 H1 G 211 15.906 21.743 17.636 559 1H2 G 211 1H2 G 211 14.418 21.305 18.994 560 2H2 G 211 2H2 G 211 13.884 19.689 19.399 561 1H5* G 212 1H5* G 212 11.021 14.204 15.583 562 2H5* G 212 2H5* G 212 10.408 14.662 13.995 563 H4* G 212 H4* G 212 9.369 15.853 15.941 564 H3* G 212 H3* G 212 10.618 17.338 13.647 565 H2* G 212 H2* G 212 9.889 19.402 14.588 566 2HO* G 212 2HO* G 212 8.775 18.668 16.885 567 H1* G 212 H1* G 212 10.921 18.817 17.111 568 H8 G 212 H8 G 212 13.349 17.407 14.737 569 H1 G 212 H1 G 212 13.827 23.843 15.222 570 1H2 G 212 1H2 G 212 12.187 24.581 16.230 571 2H2 G 212 2H2 G 212 10.878 23.603 16.852 572 1H5* G 213 1H5* G 213 6.335 18.561 13.884 573 2H5* G 213 2H5* G 213 5.765 18.978 12.268 574 H4* G 213 H4* G 213 5.509 20.817 13.884 575 H3* G 213 H3* G 213 7.241 21.204 11.461 576 H2* G 213 H2* G 213 7.570 23.488 12.057 577 2HO* G 213 2HO* G 213 5.802 24.240 13.066 578 H1* G 213 H1* G 213 8.290 22.884 14.680 579 H8 G 213 H8 G 213 9.733 20.159 12.690 580 H1 G 213 H1 G 213 13.106 25.653 12.128 581 1H2 G 213 1H2 G 213 12.013 27.216 12.914 582 2H2 G 213 2H2 G 213 10.420 27.060 13.621 583 1H5* G 214 1H5* G 214 6.416 24.909 10.668 584 2H5* G 214 2H5* G 214 5.208 24.686 9.403 585 H4* G 214 H4* G 214 6.803 26.030 8.394 586 H3* G 214 H3* G 214 7.196 23.165 7.608 587 H2* G 214 H2* G 214 9.035 23.761 6.221 588 2HO* G 214 2HO* G 214 8.994 25.814 5.481 589 H1* G 214 H1* G 214 10.333 25.211 8.184 590 H8 G 214 H8 G 214 8.648 22.486 10.008 591 H1 G 214 H1 G 214 13.999 20.500 6.956 592 1H2 G 214 1H2 G 214 14.634 21.967 5.653 593 2H2 G 214 2H2 G 214 13.836 23.506 5.423 594 1H5* G 215 1H5* G 215 7.603 25.406 3.132 595 2H5* G 215 2H5* G 215 6.288 24.340 2.639 596 H4* G 215 H4* G 215 8.368 24.276 1.218 597 H3* G 215 H3* G 215 7.131 21.802 2.395 598 H2* G 215 H2* G 215 8.711 20.461 1.221 599 2HO* G 215 2HO* G 215 8.791 21.684 -0.666 600 H1* G 215 H1* G 215 10.895 21.971 2.083 601 H8 G 215 H8 G 215 8.427 21.782 4.858 602 H1 G 215 H1 G 215 12.110 16.484 4.358 603 1H2 G 215 1H2 G 215 13.166 16.543 2.588 604 2H2 G 215 2H2 G 215 13.068 17.837 1.414 605 1H5* C 216 1H5* C 216 5.291 21.605 -1.876 606 2H5* C 216 2H5* C 216 3.849 20.610 -1.675 607 H4* C 216 H4* C 216 5.830 19.534 -2.826 608 H3* C 216 H3* C 216 4.429 18.268 -0.479 609 H2* C 216 H2* C 216 5.759 16.323 -0.767 610 2HO* C 216 2HO* C 216 6.808 16.066 -2.753 611 H1* C 216 H1* C 216 8.145 17.790 -1.022 612 1H4 C 216 1H4 C 216 7.818 15.930 5.101 613 2H4 C 216 2H4 C 216 7.023 17.444 5.470 614 H5 C 216 H5 C 216 6.343 19.006 3.834 615 H6 C 216 H6 C 216 6.258 19.504 1.417 616 1H5* U 217 1H5* U 217 4.552 15.670 -3.340 617 2H5* U 217 2H5* U 217 3.114 14.793 -3.860 618 H4* U 217 H4* U 217 4.609 13.104 -3.342 619 H3* U 217 H3* U 217 2.763 13.567 -1.015 620 H2* U 217 H2* U 217 3.772 11.742 0.140 621 2HO* U 217 2HO* U 217 5.471 10.588 -1.151 622 H1* U 217 H1* U 217 6.363 12.686 -0.296 623 H3 U 217 H3 U 217 5.724 13.513 4.114 624 H5 U 217 H5 U 217 3.489 16.493 2.198 625 H6 U 217 H6 U 217 3.968 15.354 0.081 626 1H5* G 218 1H5* G 218 0.343 9.279 -2.630 627 2H5* G 218 2H5* G 218 -0.045 8.775 -0.985 628 H4* G 218 H4* G 218 1.411 7.125 -1.272 629 H3* G 218 H3* G 218 3.322 9.433 -1.033 630 H2* G 218 H2* G 218 5.133 8.023 -1.554 631 2HO* G 218 2HO* G 218 4.697 5.696 -1.466 632 H1* G 218 H1* G 218 3.572 6.628 -3.552 633 H8 G 218 H8 G 218 3.673 10.354 -3.887 634 H1 G 218 H1 G 218 8.640 7.353 -6.752 635 1H2 G 218 1H2 G 218 8.647 5.363 -6.212 636 2H2 G 218 2H2 G 218 7.480 4.618 -5.141 637 1H5* C 219 1H5* C 219 4.281 6.685 1.971 638 2H5* C 219 2H5* C 219 3.701 5.336 2.950 639 H4* C 219 H4* C 219 4.661 6.573 4.588 640 H3* C 219 H3* C 219 1.829 7.511 4.375 641 H2* C 219 H2* C 219 2.183 9.226 5.945 642 2HO* C 219 2HO* C 219 4.108 9.072 7.254 643 H1* C 219 H1* C 219 4.661 10.032 4.892 644 1H4 C 219 1H4 C 219 0.016 13.823 2.512 645 2H4 C 219 2H4 C 219 0.301 13.019 0.986 646 H5 C 219 H5 C 219 1.703 11.135 0.733 647 H6 C 219 H6 C 219 3.190 9.542 1.896 648 1H5* G 220 1H5* G 220 4.623 3.588 6.594 649 2H5* G 220 2H5* G 220 4.720 5.319 6.272 650 H4* G 220 H4* G 220 6.364 3.157 5.281 651 H3* G 220 H3* G 220 6.568 6.174 5.300 652 H2* G 220 H2* G 220 8.407 6.010 3.870 653 2HO* G 220 2HO* G 220 8.407 3.194 4.438 654 H1* G 220 H1* G 220 7.232 3.610 2.630 655 H8 G 220 H8 G 220 7.028 4.169 0.183 656 H1 G 220 H1 G 220 6.789 10.533 1.333 657 1H2 G 220 1H2 G 220 6.752 10.864 3.367 658 2H2 G 220 2H2 G 220 6.782 9.605 4.582 659 1H5* G 221 1H5* G 221 9.960 5.052 6.240 660 2H5* G 221 2H5* G 221 11.087 5.991 7.219 661 H4* G 221 H4* G 221 11.287 5.933 4.608 662 H3* G 221 H3* G 221 11.720 8.294 6.420 663 H2* G 221 H2* G 221 12.348 9.609 4.541 664 2HO* G 221 2HO* G 221 12.925 8.516 2.666 665 H1* G 221 H1* G 221 10.138 8.847 3.022 666 H8 G 221 H8 G 221 9.585 9.292 6.755 667 H1 G 221 H1 G 221 8.482 14.584 3.195 668 1H2 G 221 1H2 G 221 9.048 14.231 1.244 669 2H2 G 221 2H2 G 221 9.721 12.727 0.659 670 1H5* C 222 1H5* C 222 15.540 8.138 3.765 671 2H5* C 222 2H5* C 222 16.581 9.239 4.667 672 H4* C 222 H4* C 222 15.650 9.849 2.276 673 H3* C 222 H3* C 222 16.067 11.696 4.619 674 H2* C 222 H2* C 222 15.419 13.528 3.260 675 2HO* C 222 2HO* C 222 14.873 12.496 0.910 676 H1* C 222 H1* C 222 13.169 12.213 2.226 677 1H4 C 222 1H4 C 222 11.149 15.736 7.193 678 2H4 C 222 2H4 C 222 11.269 14.299 8.183 679 H5 C 222 H5 C 222 12.197 12.261 7.436 680 H6 C 222 H6 C 222 13.252 11.087 5.535 681 1H5* U 223 1H5* U 223 16.958 14.250 1.666 682 2H5* U 223 2H5* U 223 18.610 14.779 1.985 683 H4* U 223 H4* U 223 17.048 16.658 1.835 684 H3* U 223 H3* U 223 18.430 16.182 4.470 685 H2* U 223 H2* U 223 17.472 18.147 5.324 686 2HO* U 223 2HO* U 223 17.414 19.718 3.829 687 H1* U 223 H1* U 223 14.976 17.667 3.956 688 H3 U 223 H3 U 223 14.036 18.129 8.429 689 H5 U 223 H5 U 223 15.358 14.182 7.969 690 H6 U 223 H6 U 223 16.006 14.770 5.679 691 1H5* U 224 1H5* U 224 21.464 19.668 1.786 692 2H5* U 224 2H5* U 224 20.607 21.209 1.760 693 H4* U 224 H4* U 224 20.205 18.977 0.102 694 H3* U 224 H3* U 224 18.778 21.611 0.447 695 H2* U 224 H2* U 224 17.172 20.907 -1.144 696 2HO* U 224 2HO* U 224 18.190 18.421 -1.687 697 H1* U 224 H1* U 224 16.880 18.354 -0.011 698 H3 U 224 H3 U 224 12.945 19.782 1.539 699 H5 U 224 H5 U 224 15.583 22.672 3.030 700 H6 U 224 H6 U 224 17.382 21.496 1.852 701 1H5* A 225 1H5* A 225 19.716 20.580 -3.397 702 2H5* A 225 2H5* A 225 20.014 21.755 -4.679 703 H4* A 225 H4* A 225 18.200 20.358 -5.347 704 H3* A 225 H3* A 225 17.425 23.171 -4.625 705 H2* A 225 H2* A 225 15.183 22.728 -5.254 706 2HO* A 225 2HO* A 225 15.495 20.083 -5.943 707 H1* A 225 H1* A 225 15.199 20.216 -3.889 708 H8 A 225 H8 A 225 16.629 22.895 -1.758 709 1H6 A 225 1H6 A 225 10.792 24.267 -0.024 710 2H6 A 225 2H6 A 225 12.481 24.573 0.315 711 H2 A 225 H2 A 225 10.597 21.417 -3.427 712 1H5* G 226 1H5* G 226 16.329 21.805 -8.316 713 2H5* G 226 2H5* G 226 16.488 22.781 -9.776 714 H4* G 226 H4* G 226 14.312 21.879 -9.814 715 H3* G 226 H3* G 226 14.388 24.787 -9.100 716 H2* G 226 H2* G 226 12.011 24.855 -8.967 717 2HO* G 226 2HO* G 226 11.379 22.270 -9.359 718 H1* G 226 H1* G 226 11.888 22.594 -7.312 719 H8 G 226 H8 G 226 14.813 24.476 -6.145 720 H1 G 226 H1 G 226 9.250 27.172 -4.230 721 1H2 G 226 1H2 G 226 7.680 26.321 -5.263 722 2H2 G 226 2H2 G 226 7.848 25.065 -6.470 723 1H5* G 227 1H5* G 227 14.224 23.238 -13.870 724 2H5* G 227 2H5* G 227 15.404 24.197 -14.764 725 H4* G 227 H4* G 227 13.470 24.396 -16.028 726 H3* G 227 H3* G 227 13.858 26.802 -14.290 727 H2* G 227 H2* G 227 11.868 27.796 -15.146 728 2HO* G 227 2HO* G 227 10.779 26.455 -16.865 729 H1* G 227 H1* G 227 10.322 25.524 -14.682 730 H8 G 227 H8 G 227 12.830 25.897 -11.944 731 H1 G 227 H1 G 227 7.567 29.575 -11.135 732 1H2 G 227 1H2 G 227 6.437 29.550 -12.860 733 2H2 G 227 2H2 G 227 6.854 28.663 -14.309 734 1H5* A 228 1H5* A 228 12.968 28.288 -18.041 735 2H5* A 228 2H5* A 228 14.241 29.341 -18.660 736 H4* A 228 H4* A 228 12.294 30.576 -18.957 737 H3* A 228 H3* A 228 13.746 31.460 -16.483 738 H2* A 228 H2* A 228 12.118 33.157 -16.117 739 2HO* A 228 2HO* A 228 10.346 32.986 -17.955 740 H1* A 228 H1* A 228 9.963 31.415 -16.397 741 H8 A 228 H8 A 228 13.044 29.966 -14.726 742 1H6 A 228 1H6 A 228 10.396 31.653 -9.332 743 2H6 A 228 2H6 A 228 11.743 30.792 -10.041 744 H2 A 228 H2 A 228 7.915 33.246 -12.656 745 1H5* G 229 1H5* G 229 13.064 35.224 -18.978 746 2H5* G 229 2H5* G 229 14.452 36.240 -18.588 747 H4* G 229 H4* G 229 12.244 37.291 -18.135 748 H3* G 229 H3* G 229 14.284 36.978 -15.951 749 H2* G 229 H2* G 229 12.876 38.199 -14.466 750 2HO* G 229 2HO* G 229 10.894 38.401 -16.490 751 H1* G 229 H1* G 229 10.627 36.653 -15.054 752 H8 G 229 H8 G 229 13.446 34.292 -15.071 753 H1 G 229 H1 G 229 11.651 35.943 -9.077 754 1H2 G 229 1H2 G 229 10.373 37.560 -9.161 755 2H2 G 229 2H2 G 229 9.863 38.349 -10.637 756 1H5* G 230 1H5* G 230 12.993 41.180 -16.245 757 2H5* G 230 2H5* G 230 14.420 42.208 -16.114 758 H4* G 230 H4* G 230 12.709 42.971 -14.596 759 H3* G 230 H3* G 230 15.198 41.829 -13.373 760 H2* G 230 H2* G 230 14.389 42.345 -11.193 761 2HO* G 230 2HO* G 230 11.980 43.315 -11.569 762 H1* G 230 H1* G 230 11.913 41.136 -11.639 763 H8 G 230 H8 G 230 14.357 39.014 -13.389 764 H1 G 230 H1 G 230 14.437 38.105 -6.982 765 1H2 G 230 1H2 G 230 13.359 39.602 -6.060 766 2H2 G 230 2H2 G 230 12.553 40.908 -6.899 767 1H5* G 231 1H5* G 231 14.530 45.911 -11.205 768 2H5* G 231 2H5* G 231 16.188 46.504 -11.303 769 H4* G 231 H4* G 231 15.319 46.605 -9.024 770 H3* G 231 H3* G 231 17.657 44.803 -9.581 771 H2* G 231 H2* G 231 17.831 44.306 -7.257 772 2HO* G 231 2HO* G 231 16.349 45.537 -5.848 773 H1* G 231 H1* G 231 15.119 43.694 -7.012 774 H8 G 231 H8 G 231 16.206 42.462 -10.328 775 H1 G 231 H1 G 231 17.948 38.530 -5.491 776 1H2 G 231 1H2 G 231 17.649 39.483 -3.687 777 2H2 G 231 2H2 G 231 17.020 41.106 -3.511 778 1H5* C 232 1H5* C 232 18.556 47.030 -6.425 779 2H5* C 232 2H5* C 232 20.023 48.005 -6.503 780 H4* C 232 H4* C 232 20.235 46.888 -4.486 781 H3* C 232 H3* C 232 21.790 45.440 -6.610 782 H2* C 232 H2* C 232 22.563 43.883 -4.991 783 2HO* C 232 2HO* C 232 21.500 44.550 -2.726 784 H1* C 232 H1* C 232 20.016 43.441 -3.923 785 1H4 C 232 1H4 C 232 20.673 38.788 -8.238 786 2H4 C 232 2H4 C 232 20.299 39.923 -9.516 787 H5 C 232 H5 C 232 19.983 42.238 -9.171 788 H6 C 232 H6 C 232 19.946 44.052 -7.495 789 1H5* A 233 1H5* A 233 24.264 46.033 -3.280 790 2H5* A 233 2H5* A 233 25.809 46.765 -3.712 791 H4* A 233 H4* A 233 26.320 44.904 -2.366 792 H3* A 233 H3* A 233 26.833 44.394 -5.282 793 H2* A 233 H2* A 233 27.712 42.250 -4.762 794 2HO* A 233 2HO* A 233 28.480 41.980 -2.714 795 H1* A 233 H1* A 233 25.573 41.545 -3.119 796 H8 A 233 H8 A 233 24.354 43.575 -6.012 797 1H6 A 233 1H6 A 233 24.014 38.227 -9.210 798 2H6 A 233 2H6 A 233 23.602 39.927 -9.242 799 H2 A 233 H2 A 233 26.106 37.422 -5.374 800 1H5* G 234 1H5* G 234 30.369 43.398 -3.148 801 2H5* G 234 2H5* G 234 31.778 44.165 -3.880 802 H4* G 234 H4* G 234 32.320 41.886 -3.625 803 H3* G 234 H3* G 234 31.679 42.626 -6.466 804 H2* G 234 H2* G 234 32.230 40.417 -7.168 805 2HO* G 234 2HO* G 234 33.782 39.594 -5.893 806 H1* G 234 H1* G 234 30.628 39.215 -5.224 807 H8 G 234 H8 G 234 28.956 42.310 -6.454 808 H1 G 234 H1 G 234 28.072 37.200 -10.325 809 1H2 G 234 1H2 G 234 29.320 35.667 -9.738 810 2H2 G 234 2H2 G 234 30.439 35.754 -8.397 811 1H GLY 15 1H GLY 15 6.157 -0.413 -1.992 812 1HA GLY 15 1HA GLY 15 7.417 -1.989 -0.398 813 2HA GLY 15 2HA GLY 15 8.111 -2.615 -1.886 814 H ARG 16 H ARG 16 7.678 0.427 -0.095 815 HA ARG 16 HA ARG 16 9.119 2.143 0.318 816 1HB ARG 16 2HB ARG 16 10.825 -0.126 -0.086 817 2HB ARG 16 3HB ARG 16 11.573 1.291 -0.809 818 1HG ARG 16 2HG ARG 16 12.095 2.149 1.176 819 2HG ARG 16 3HG ARG 16 10.484 1.838 1.825 820 1HD ARG 16 2HD ARG 16 12.139 0.605 3.090 821 2HD ARG 16 3HD ARG 16 11.109 -0.511 2.194 822 HE ARG 16 HE ARG 16 12.932 -1.160 0.958 823 1HH1 ARG 16 2HH1 ARG 16 13.704 1.725 2.748 824 2HH1 ARG 16 1HH1 ARG 16 15.395 1.660 2.378 825 1HH2 ARG 16 2HH2 ARG 16 15.157 -1.258 0.464 826 2HH2 ARG 16 1HH2 ARG 16 16.221 -0.037 1.078 827 H ALA 17 H ALA 17 10.653 0.825 -2.605 828 HA ALA 17 HA ALA 17 10.964 1.687 -4.689 829 1HB ALA 17 1HB ALA 17 8.523 3.359 -4.109 830 2HB ALA 17 2HB ALA 17 9.190 2.963 -5.694 831 3HB ALA 17 3HB ALA 17 8.484 1.694 -4.693 832 H ARG 18 H ARG 18 11.832 3.128 -2.094 833 HA ARG 18 HA ARG 18 11.960 5.872 -2.497 834 1HB ARG 18 2HB ARG 18 12.688 4.467 -0.462 835 2HB ARG 18 3HB ARG 18 14.231 4.313 -1.290 836 1HG ARG 18 2HG ARG 18 12.997 6.992 -0.761 837 2HG ARG 18 3HG ARG 18 13.985 6.165 0.445 838 1HD ARG 18 2HD ARG 18 15.406 6.024 -1.974 839 2HD ARG 18 3HD ARG 18 14.803 7.676 -1.854 840 HE ARG 18 HE ARG 18 15.859 7.150 0.608 841 1HH1 ARG 18 2HH1 ARG 18 17.054 7.045 -2.660 842 2HH1 ARG 18 1HH1 ARG 18 18.684 7.423 -2.214 843 1HH2 ARG 18 2HH2 ARG 18 18.002 7.647 1.208 844 2HH2 ARG 18 1HH2 ARG 18 19.224 7.763 -0.013 845 H GLY 19 H GLY 19 13.057 7.162 -3.842 846 1HA GLY 19 1HA GLY 19 14.972 7.816 -5.086 847 2HA GLY 19 2HA GLY 19 15.448 6.127 -5.188 848 H LEU 20 H LEU 20 12.587 5.453 -5.920 849 HA LEU 20 HA LEU 20 12.879 6.069 -8.773 850 1HB LEU 20 2HB LEU 20 11.828 3.801 -7.224 851 2HB LEU 20 3HB LEU 20 10.894 4.226 -8.657 852 HG LEU 20 HG LEU 20 13.751 4.041 -9.192 853 1HD1 LEU 20 1HD1 LEU 20 12.317 1.723 -7.950 854 2HD1 LEU 20 2HD1 LEU 20 13.933 2.339 -7.614 855 3HD1 LEU 20 3HD1 LEU 20 13.613 1.479 -9.120 856 1HD2 LEU 20 1HD2 LEU 20 12.514 4.028 -11.103 857 2HD2 LEU 20 2HD2 LEU 20 11.166 3.168 -10.359 858 3HD2 LEU 20 3HD2 LEU 20 12.621 2.288 -10.831 859 H CYS 21 H CYS 21 11.621 7.673 -9.647 860 HA CYS 21 HA CYS 21 9.545 8.812 -8.143 861 1HB CYS 21 2HB CYS 21 10.930 10.022 -9.837 862 2HB CYS 21 3HB CYS 21 10.110 9.138 -11.108 863 H TYR 22 H TYR 22 7.300 8.767 -8.634 864 HA TYR 22 HA TYR 22 6.404 6.339 -10.042 865 1HB TYR 22 2HB TYR 22 5.746 5.905 -7.878 866 2HB TYR 22 3HB TYR 22 5.533 7.608 -7.486 867 HD1 TYR 22 HD1 TYR 22 4.039 5.010 -9.725 868 HD2 TYR 22 HD2 TYR 22 3.376 8.377 -7.211 869 HE1 TYR 22 HE1 TYR 22 1.614 4.776 -10.061 870 HE2 TYR 22 HE2 TYR 22 0.950 8.153 -7.539 871 HH TYR 22 HH TYR 22 -0.417 5.448 -9.349 872 H THR 23 H THR 23 6.090 9.760 -9.718 873 HA THR 23 HA THR 23 3.581 10.116 -10.963 874 HB THR 23 HB THR 23 5.888 12.064 -11.058 875 HG1 THR 23 HG1 THR 23 5.460 12.578 -9.015 876 1HG2 THR 23 1HG2 THR 23 4.264 13.741 -11.351 877 2HG2 THR 23 2HG2 THR 23 2.947 12.667 -10.877 878 3HG2 THR 23 3HG2 THR 23 3.758 12.439 -12.426 879 H CYS 24 H CYS 24 6.955 10.053 -12.289 880 HA CYS 24 HA CYS 24 5.715 10.015 -14.940 881 1HB CYS 24 2HB CYS 24 7.812 10.861 -15.831 882 2HB CYS 24 3HB CYS 24 7.218 11.930 -14.577 883 H GLY 25 H GLY 25 8.014 8.578 -12.700 884 1HA GLY 25 1HA GLY 25 8.312 6.206 -12.553 885 2HA GLY 25 2HA GLY 25 7.958 6.092 -14.271 886 H SER 26 H SER 26 10.163 8.410 -12.809 887 HA SER 26 HA SER 26 12.325 7.259 -14.420 888 1HB SER 26 2HB SER 26 11.655 9.746 -14.523 889 2HB SER 26 3HB SER 26 12.449 9.890 -12.955 890 HG SER 26 HG SER 26 13.974 10.336 -14.494 891 HA PRO 27 HA PRO 27 13.930 5.512 -10.640 892 1HB PRO 27 2HB PRO 27 16.098 4.349 -11.790 893 2HB PRO 27 3HB PRO 27 14.470 3.668 -11.900 894 1HG PRO 27 2HG PRO 27 15.976 5.313 -13.898 895 2HG PRO 27 3HG PRO 27 14.981 3.868 -14.160 896 1HD PRO 27 2HD PRO 27 14.071 6.371 -14.645 897 2HD PRO 27 3HD PRO 27 13.010 5.060 -14.093 898 H GLY 28 H GLY 28 14.472 7.547 -9.684 899 1HA GLY 28 1HA GLY 28 17.133 7.946 -9.083 900 2HA GLY 28 2HA GLY 28 16.808 8.999 -10.452 901 H HIS 29 H HIS 29 14.628 10.259 -10.134 902 HA HIS 29 HA HIS 29 14.883 11.611 -7.551 903 1HB HIS 29 2HB HIS 29 13.752 13.477 -8.574 904 2HB HIS 29 3HB HIS 29 15.024 12.935 -9.664 905 HD1 HIS 29 HD1 HIS 29 14.333 12.542 -12.012 906 HD2 HIS 29 HD2 HIS 29 11.101 12.453 -9.404 907 HE1 HIS 29 HE1 HIS 29 12.297 12.317 -13.472 908 H TYR 30 H TYR 30 12.513 12.756 -7.131 909 HA TYR 30 HA TYR 30 10.544 10.572 -7.078 910 1HB TYR 30 2HB TYR 30 11.937 11.573 -4.846 911 2HB TYR 30 3HB TYR 30 10.311 12.237 -4.736 912 HD1 TYR 30 HD1 TYR 30 12.012 8.980 -5.425 913 HD2 TYR 30 HD2 TYR 30 8.701 10.982 -3.658 914 HE1 TYR 30 HE1 TYR 30 11.207 6.838 -4.524 915 HE2 TYR 30 HE2 TYR 30 7.886 8.847 -2.750 916 HH TYR 30 HH TYR 30 9.188 5.822 -3.722 917 H GLN 31 H GLN 31 8.358 11.539 -6.210 918 HA GLN 31 HA GLN 31 7.333 13.231 -8.127 919 1HB GLN 31 2HB GLN 31 5.846 11.914 -6.798 920 2HB GLN 31 3HB GLN 31 6.390 12.685 -5.314 921 1HG GLN 31 2HG GLN 31 4.957 14.372 -5.536 922 2HG GLN 31 3HG GLN 31 5.331 14.581 -7.246 923 1HE2 GLN 31 1HE2 GLN 31 3.718 12.222 -5.137 924 2HE2 GLN 31 2HE2 GLN 31 2.362 11.967 -6.177 925 H ALA 32 H ALA 32 8.588 14.055 -4.921 926 HA ALA 32 HA ALA 32 7.926 16.768 -4.904 927 1HB ALA 32 1HB ALA 32 10.497 15.995 -3.666 928 2HB ALA 32 2HB ALA 32 9.134 16.891 -2.994 929 3HB ALA 32 3HB ALA 32 9.059 15.133 -3.116 930 H GLN 33 H GLN 33 10.394 15.054 -6.621 931 HA GLN 33 HA GLN 33 11.454 17.619 -7.609 932 1HB GLN 33 2HB GLN 33 12.876 15.660 -6.268 933 2HB GLN 33 3HB GLN 33 13.234 15.334 -7.958 934 1HG GLN 33 2HG GLN 33 13.820 17.782 -8.171 935 2HG GLN 33 3HG GLN 33 13.739 17.856 -6.412 936 1HE2 GLN 33 1HE2 GLN 33 16.051 18.560 -7.351 937 2HE2 GLN 33 2HE2 GLN 33 17.246 17.322 -7.193 938 H CYS 34 H CYS 34 9.172 15.879 -8.636 939 HA CYS 34 HA CYS 34 10.265 14.704 -11.006 940 1HB CYS 34 2HB CYS 34 8.279 13.776 -9.784 941 2HB CYS 34 3HB CYS 34 7.355 15.177 -10.288 942 HA PRO 35 HA PRO 35 10.240 18.602 -13.180 943 1HB PRO 35 2HB PRO 35 10.857 17.573 -15.617 944 2HB PRO 35 3HB PRO 35 12.049 17.769 -14.326 945 1HG PRO 35 2HG PRO 35 10.554 15.316 -15.167 946 2HG PRO 35 3HG PRO 35 12.265 15.490 -14.735 947 1HD PRO 35 2HD PRO 35 10.420 14.511 -13.013 948 2HD PRO 35 3HD PRO 35 11.827 15.448 -12.473 949 H LYS 36 H LYS 36 8.131 15.958 -13.655 950 HA LYS 36 HA LYS 36 6.569 17.360 -15.695 951 1HB LYS 36 2HB LYS 36 7.168 14.817 -15.712 952 2HB LYS 36 3HB LYS 36 5.843 14.680 -14.563 953 1HG LYS 36 2HG LYS 36 4.252 15.229 -16.123 954 2HG LYS 36 3HG LYS 36 5.393 16.124 -17.130 955 1HD LYS 36 2HD LYS 36 6.486 13.722 -17.374 956 2HD LYS 36 3HD LYS 36 4.839 13.204 -17.006 957 1HE LYS 36 2HE LYS 36 4.913 13.336 -19.344 958 2HE LYS 36 3HE LYS 36 4.107 14.820 -18.841 959 1HZ LYS 36 1HZ LYS 36 6.545 14.492 -20.272 960 2HZ LYS 36 2HZ LYS 36 6.778 15.439 -18.891 961 3HZ LYS 36 3HZ LYS 36 5.620 15.889 -20.038 962 H LYS 37 H LYS 37 6.803 17.402 -12.446 963 HA LYS 37 HA LYS 37 4.270 17.060 -11.401 964 1HB LYS 37 2HB LYS 37 6.634 18.693 -10.680 965 2HB LYS 37 3HB LYS 37 5.109 19.170 -9.946 966 1HG LYS 37 2HG LYS 37 5.329 16.358 -9.712 967 2HG LYS 37 3HG LYS 37 6.862 17.068 -9.201 968 1HD LYS 37 2HD LYS 37 5.568 17.012 -7.250 969 2HD LYS 37 3HD LYS 37 5.440 18.681 -7.810 970 1HE LYS 37 2HE LYS 37 3.321 17.786 -9.054 971 2HE LYS 37 3HE LYS 37 3.402 16.497 -7.854 972 1HZ LYS 37 1HZ LYS 37 1.986 18.459 -7.256 973 2HZ LYS 37 2HZ LYS 37 3.405 19.369 -7.127 974 3HZ LYS 37 3HZ LYS 37 3.157 18.042 -6.108 975 H ARG 38 H ARG 38 2.399 17.889 -12.032 976 HA ARG 38 HA ARG 38 2.241 20.263 -13.627 977 1HB ARG 38 2HB ARG 38 0.298 18.260 -12.570 978 2HB ARG 38 3HB ARG 38 -0.320 19.820 -13.095 979 1HG ARG 38 2HG ARG 38 1.402 18.976 -15.129 980 2HG ARG 38 3HG ARG 38 0.474 17.550 -14.660 981 1HD ARG 38 2HD ARG 38 -1.556 19.176 -14.766 982 2HD ARG 38 3HD ARG 38 -0.482 20.161 -15.758 983 HE ARG 38 HE ARG 38 -1.747 17.686 -16.499 984 1HH1 ARG 38 2HH1 ARG 38 0.905 19.853 -17.122 985 2HH1 ARG 38 1HH1 ARG 38 1.137 19.310 -18.750 986 1HH2 ARG 38 2HH2 ARG 38 -1.451 16.962 -18.642 987 2HH2 ARG 38 1HH2 ARG 38 -0.204 17.666 -19.613 988 H LYS 39 H LYS 39 0.383 19.524 -10.685 989 HA LYS 39 HA LYS 39 1.293 21.831 -9.278 990 1HB LYS 39 2HB LYS 39 -1.041 22.076 -11.023 991 2HB LYS 39 3HB LYS 39 -1.382 22.522 -9.356 992 1HG LYS 39 2HG LYS 39 1.048 23.752 -9.949 993 2HG LYS 39 3HG LYS 39 0.049 23.972 -11.388 994 1HD LYS 39 2HD LYS 39 -1.073 24.508 -8.664 995 2HD LYS 39 3HD LYS 39 -0.078 25.719 -9.476 996 1HE LYS 39 2HE LYS 39 -2.086 24.622 -11.248 997 2HE LYS 39 3HE LYS 39 -2.812 25.307 -9.794 998 1HZ LYS 39 1HZ LYS 39 -2.411 27.350 -10.519 999 2HZ LYS 39 2HZ LYS 39 -1.965 26.686 -12.010 1000 3HZ LYS 39 3HZ LYS 39 -0.785 27.007 -10.841 1001 H SER 40 H SER 40 -1.929 20.331 -9.432 1002 HA SER 40 HA SER 40 -1.582 18.505 -7.344 1003 1HB SER 40 2HB SER 40 -1.336 20.071 -5.675 1004 2HB SER 40 3HB SER 40 -2.299 21.281 -6.522 1005 HG SER 40 HG SER 40 -3.740 20.666 -5.095 1006 H GLY 41 H GLY 41 -4.191 20.890 -7.757 1007 1HA GLY 41 1HA GLY 41 -6.113 20.450 -9.166 1008 2HA GLY 41 2HA GLY 41 -5.869 18.735 -8.872 1009 H ASN 42 H ASN 42 -5.368 19.210 -5.990 1010 HA ASN 42 HA ASN 42 -7.643 20.436 -4.833 1011 1HB ASN 42 2HB ASN 42 -8.531 18.269 -5.985 1012 2HB ASN 42 3HB ASN 42 -7.780 17.444 -4.620 1013 1HD2 ASN 42 1HD2 ASN 42 -9.015 17.137 -2.923 1014 2HD2 ASN 42 2HD2 ASN 42 -10.423 18.049 -2.507 1015 H SER 43 H SER 43 -7.897 19.665 -2.466 1016 HA SER 43 HA SER 43 -5.793 18.325 -1.165 1017 1HB SER 43 2HB SER 43 -5.374 21.188 -1.716 1018 2HB SER 43 3HB SER 43 -5.129 20.723 -0.033 1019 HG SER 43 HG SER 43 -3.623 19.193 -0.720 1020 H ARG 44 H ARG 44 -5.749 19.113 1.288 1021 HA ARG 44 HA ARG 44 -8.572 19.374 2.080 1022 1HB ARG 44 2HB ARG 44 -6.667 17.444 2.764 1023 2HB ARG 44 3HB ARG 44 -6.810 18.462 4.190 1024 1HG ARG 44 2HG ARG 44 -8.342 16.630 4.374 1025 2HG ARG 44 3HG ARG 44 -9.257 18.120 4.139 1026 1HD ARG 44 2HD ARG 44 -9.170 17.484 1.628 1027 2HD ARG 44 3HD ARG 44 -8.777 15.871 2.224 1028 HE ARG 44 HE ARG 44 -11.329 17.190 2.341 1029 1HH1 ARG 44 2HH1 ARG 44 -9.304 14.735 3.752 1030 2HH1 ARG 44 1HH1 ARG 44 -10.631 13.826 4.395 1031 1HH2 ARG 44 2HH2 ARG 44 -13.084 16.001 3.182 1032 2HH2 ARG 44 1HH2 ARG 44 -12.781 14.547 4.069 1033 H GLU 45 H GLU 45 -5.392 19.997 3.580 1034 HA GLU 45 HA GLU 45 -6.425 22.621 4.435 1035 1HB GLU 45 2HB GLU 45 -4.637 20.720 5.957 1036 2HB GLU 45 3HB GLU 45 -4.960 22.377 6.449 1037 1HG GLU 45 2HG GLU 45 -7.109 21.923 7.078 1038 2HG GLU 45 3HG GLU 45 -7.264 20.565 5.966 1039 H ARG 46 H ARG 46 -4.857 21.858 2.057 1040 HA ARG 46 HA ARG 46 -2.287 23.157 2.612 1041 1HB ARG 46 2HB ARG 46 -2.514 20.917 1.344 1042 2HB ARG 46 3HB ARG 46 -3.064 21.901 -0.006 1043 1HG ARG 46 2HG ARG 46 -0.991 23.023 -0.159 1044 2HG ARG 46 3HG ARG 46 -0.449 22.377 1.393 1045 1HD ARG 46 2HD ARG 46 0.636 21.188 -0.411 1046 2HD ARG 46 3HD ARG 46 -0.480 20.110 0.426 1047 HE ARG 46 HE ARG 46 -1.592 21.411 -1.894 1048 1HH1 ARG 46 2HH1 ARG 46 0.151 18.648 -0.688 1049 2HH1 ARG 46 1HH1 ARG 46 -0.291 17.627 -2.015 1050 1HH2 ARG 46 2HH2 ARG 46 -2.180 20.076 -3.647 1051 2HH2 ARG 46 1HH2 ARG 46 -1.616 18.440 -3.698 1052 H CYS 47 H CYS 47 -1.439 24.680 0.781 1053 HA CYS 47 HA CYS 47 -3.719 26.301 -0.093 1054 1HB CYS 47 2HB CYS 47 -2.448 27.422 1.688 1055 2HB CYS 47 3HB CYS 47 -0.967 27.256 0.766 1056 H GLN 48 H GLN 48 -3.890 26.276 -2.230 1057 HA GLN 48 HA GLN 48 -1.642 25.422 -3.888 1058 1HB GLN 48 2HB GLN 48 -4.368 24.863 -3.952 1059 2HB GLN 48 3HB GLN 48 -4.122 25.960 -5.304 1060 1HG GLN 48 2HG GLN 48 -3.888 23.754 -6.130 1061 2HG GLN 48 3HG GLN 48 -2.277 24.470 -6.079 1062 1HE2 GLN 48 1HE2 GLN 48 -4.421 22.738 -3.836 1063 2HE2 GLN 48 2HE2 GLN 48 -3.219 21.629 -3.278 1064 H LEU 49 H LEU 49 -1.675 28.075 -2.703 1065 HA LEU 49 HA LEU 49 -1.606 29.653 -5.185 1066 1HB LEU 49 2HB LEU 49 -3.326 30.059 -3.009 1067 2HB LEU 49 3HB LEU 49 -2.085 31.304 -2.878 1068 HG LEU 49 HG LEU 49 -3.376 30.935 -5.526 1069 1HD1 LEU 49 1HD1 LEU 49 -5.270 32.334 -4.886 1070 2HD1 LEU 49 2HD1 LEU 49 -4.747 32.280 -3.203 1071 3HD1 LEU 49 3HD1 LEU 49 -5.278 30.804 -4.009 1072 1HD2 LEU 49 1HD2 LEU 49 -3.053 33.304 -5.668 1073 2HD2 LEU 49 2HD2 LEU 49 -1.562 32.578 -5.068 1074 3HD2 LEU 49 3HD2 LEU 49 -2.654 33.402 -3.953 1075 H CYS 50 H CYS 50 -0.274 29.070 -1.902 1076 HA CYS 50 HA CYS 50 2.132 30.442 -2.840 1077 1HB CYS 50 2HB CYS 50 2.468 31.567 -0.802 1078 2HB CYS 50 3HB CYS 50 0.778 31.832 -1.180 1079 H ASN 51 H ASN 51 0.902 27.637 -2.485 1080 HA ASN 51 HA ASN 51 1.587 25.536 -1.949 1081 1HB ASN 51 2HB ASN 51 4.350 26.611 -1.453 1082 2HB ASN 51 3HB ASN 51 3.875 25.057 -2.133 1083 1HD2 ASN 51 1HD2 ASN 51 4.716 28.282 -2.775 1084 2HD2 ASN 51 2HD2 ASN 51 4.499 28.247 -4.489 1085 H GLY 52 H GLY 52 0.880 27.581 0.184 1086 1HA GLY 52 1HA GLY 52 2.377 27.063 2.512 1087 2HA GLY 52 2HA GLY 52 0.722 27.654 2.472 1088 H MET 53 H MET 53 1.768 25.845 4.396 1089 HA MET 53 HA MET 53 0.175 23.448 3.762 1090 1HB MET 53 2HB MET 53 2.683 23.089 3.883 1091 2HB MET 53 3HB MET 53 2.573 23.485 5.593 1092 1HG MET 53 2HG MET 53 1.575 21.525 6.130 1093 2HG MET 53 3HG MET 53 0.750 21.391 4.578 1094 1HE MET 53 1HE MET 53 3.055 20.489 2.117 1095 2HE MET 53 2HE MET 53 2.253 19.040 2.723 1096 3HE MET 53 3HE MET 53 1.391 20.580 2.696 1097 H GLY 54 H GLY 54 -1.697 24.122 4.764 1098 1HA GLY 54 1HA GLY 54 -2.384 23.509 7.239 1099 2HA GLY 54 2HA GLY 54 -1.559 25.032 7.538 1100 H HIS 55 H HIS 55 -2.334 26.731 5.706 1101 HA HIS 55 HA HIS 55 -5.175 27.033 6.230 1102 1HB HIS 55 2HB HIS 55 -4.879 29.301 5.318 1103 2HB HIS 55 3HB HIS 55 -3.711 28.957 6.591 1104 HD1 HIS 55 HD1 HIS 55 -1.232 28.387 5.742 1105 HD2 HIS 55 HD2 HIS 55 -3.791 30.056 2.927 1106 HE1 HIS 55 HE1 HIS 55 0.254 29.212 3.887 1107 H ASN 56 H ASN 56 -6.159 28.409 4.153 1108 HA ASN 56 HA ASN 56 -5.867 26.583 1.857 1109 1HB ASN 56 2HB ASN 56 -8.210 27.273 3.406 1110 2HB ASN 56 3HB ASN 56 -8.428 27.722 1.717 1111 1HD2 ASN 56 1HD2 ASN 56 -9.509 26.212 0.695 1112 2HD2 ASN 56 2HD2 ASN 56 -9.292 24.507 0.865 1113 H ALA 57 H ALA 57 -6.243 27.490 -0.235 1114 HA ALA 57 HA ALA 57 -4.991 29.925 -0.707 1115 1HB ALA 57 1HB ALA 57 -6.657 29.546 -2.897 1116 2HB ALA 57 2HB ALA 57 -5.004 28.962 -2.711 1117 3HB ALA 57 3HB ALA 57 -6.360 27.922 -2.277 1118 H LYS 58 H LYS 58 -8.446 29.176 -0.470 1119 HA LYS 58 HA LYS 58 -9.443 31.689 -1.194 1120 1HB LYS 58 2HB LYS 58 -10.652 29.748 0.784 1121 2HB LYS 58 3HB LYS 58 -11.505 31.013 -0.092 1122 1HG LYS 58 2HG LYS 58 -10.164 28.622 -1.339 1123 2HG LYS 58 3HG LYS 58 -11.897 28.805 -1.058 1124 1HD LYS 58 2HD LYS 58 -12.035 30.612 -2.605 1125 2HD LYS 58 3HD LYS 58 -10.277 30.718 -2.731 1126 1HE LYS 58 2HE LYS 58 -11.056 29.617 -4.689 1127 2HE LYS 58 3HE LYS 58 -10.302 28.391 -3.670 1128 1HZ LYS 58 1HZ LYS 58 -13.037 28.583 -3.029 1129 2HZ LYS 58 2HZ LYS 58 -12.189 27.261 -3.657 1130 3HZ LYS 58 3HZ LYS 58 -12.883 28.394 -4.704 1131 H GLN 59 H GLN 59 -7.872 30.631 1.679 1132 HA GLN 59 HA GLN 59 -8.490 33.215 2.952 1133 1HB GLN 59 2HB GLN 59 -9.266 30.843 3.969 1134 2HB GLN 59 3HB GLN 59 -7.661 30.956 4.680 1135 1HG GLN 59 2HG GLN 59 -8.457 33.362 5.334 1136 2HG GLN 59 3HG GLN 59 -10.060 32.659 5.125 1137 1HE2 GLN 59 1HE2 GLN 59 -10.561 32.826 7.296 1138 2HE2 GLN 59 2HE2 GLN 59 -9.841 31.815 8.497 1139 H CYS 60 H CYS 60 -6.221 32.390 1.094 1140 HA CYS 60 HA CYS 60 -3.960 32.231 2.837 1141 1HB CYS 60 2HB CYS 60 -3.883 31.095 0.690 1142 2HB CYS 60 3HB CYS 60 -4.177 32.595 -0.169 1143 H ARG 61 H ARG 61 -3.130 33.956 3.802 1144 HA ARG 61 HA ARG 61 -2.631 36.097 4.386 1145 1HB ARG 61 2HB ARG 61 -2.091 35.844 1.559 1146 2HB ARG 61 3HB ARG 61 -2.572 37.489 1.953 1147 1HG ARG 61 2HG ARG 61 -0.463 36.058 3.529 1148 2HG ARG 61 3HG ARG 61 -0.086 36.912 2.031 1149 1HD ARG 61 2HD ARG 61 -1.403 38.865 3.182 1150 2HD ARG 61 3HD ARG 61 -1.002 37.988 4.658 1151 HE ARG 61 HE ARG 61 1.311 38.315 3.078 1152 1HH1 ARG 61 2HH1 ARG 61 -0.883 40.121 5.089 1153 2HH1 ARG 61 1HH1 ARG 61 0.301 41.299 5.548 1154 1HH2 ARG 61 2HH2 ARG 61 2.879 39.860 3.674 1155 2HH2 ARG 61 1HH2 ARG 61 2.441 41.150 4.742 1156 H LYS 62 H LYS 62 -3.306 38.545 3.730 1157 HA LYS 62 HA LYS 62 -4.957 40.105 3.843 1158 1HB LYS 62 2HB LYS 62 -5.413 39.014 1.552 1159 2HB LYS 62 3HB LYS 62 -6.748 38.198 2.356 1160 1HG LYS 62 2HG LYS 62 -8.032 39.983 2.125 1161 2HG LYS 62 3HG LYS 62 -6.847 40.989 2.961 1162 1HD LYS 62 2HD LYS 62 -6.612 40.252 0.051 1163 2HD LYS 62 3HD LYS 62 -7.447 41.704 0.611 1164 1HE LYS 62 2HE LYS 62 -5.354 42.386 1.768 1165 2HE LYS 62 3HE LYS 62 -4.547 40.996 1.042 1166 1HZ LYS 62 1HZ LYS 62 -5.170 41.921 -1.157 1167 2HZ LYS 62 2HZ LYS 62 -4.101 42.902 -0.288 1168 3HZ LYS 62 3HZ LYS 62 -5.740 43.311 -0.380 1169 H ARG 63 H ARG 63 -4.761 38.880 6.142 1170 HA ARG 63 HA ARG 63 -7.534 38.624 7.032 1171 1HB ARG 63 2HB ARG 63 -6.577 36.325 6.646 1172 2HB ARG 63 3HB ARG 63 -5.400 36.674 7.906 1173 1HG ARG 63 2HG ARG 63 -8.100 37.204 8.795 1174 2HG ARG 63 3HG ARG 63 -7.904 35.542 8.237 1175 1HD ARG 63 2HD ARG 63 -5.683 35.735 9.685 1176 2HD ARG 63 3HD ARG 63 -6.647 36.945 10.530 1177 HE ARG 63 HE ARG 63 -8.188 34.626 10.224 1178 1HH1 ARG 63 2HH1 ARG 63 -5.373 35.747 11.938 1179 2HH1 ARG 63 1HH1 ARG 63 -5.590 34.660 13.270 1180 1HH2 ARG 63 2HH2 ARG 63 -8.485 33.191 11.972 1181 2HH2 ARG 63 1HH2 ARG 63 -7.359 33.206 13.288 1182 H ASP 64 H ASP 64 -4.304 38.195 8.479 1183 HA ASP 64 HA ASP 64 -4.859 40.493 10.227 1184 1HB ASP 64 2HB ASP 64 -5.326 38.604 11.612 1185 2HB ASP 64 3HB ASP 64 -3.883 37.760 11.059 Start of MODEL 14 1 1H5* C 160 1H5* C 160 27.842 23.903 -14.286 2 2H5* C 160 2H5* C 160 26.264 23.918 -13.499 3 H4* C 160 H4* C 160 27.344 22.114 -12.520 4 H3* C 160 H3* C 160 27.542 24.525 -10.740 5 H2* C 160 H2* C 160 28.669 23.228 -9.097 6 2HO* C 160 2HO* C 160 27.283 21.396 -9.647 7 H1* C 160 H1* C 160 30.491 22.151 -10.908 8 1H4 C 160 1H4 C 160 33.265 27.397 -8.484 9 2H4 C 160 2H4 C 160 32.669 28.288 -9.866 10 H5 C 160 H5 C 160 31.199 27.386 -11.480 11 H6 C 160 H6 C 160 29.928 25.385 -12.171 12 1H5* U 161 1H5* U 161 25.902 21.517 -8.204 13 2H5* U 161 2H5* U 161 24.487 22.156 -7.371 14 H4* U 161 H4* U 161 25.931 21.317 -5.704 15 H3* U 161 H3* U 161 25.942 24.319 -5.859 16 H2* U 161 H2* U 161 27.360 24.405 -3.949 17 2HO* U 161 2HO* U 161 27.598 22.484 -2.738 18 H1* U 161 H1* U 161 29.148 22.519 -4.984 19 H3 U 161 H3 U 161 31.288 26.560 -5.110 20 H5 U 161 H5 U 161 28.929 26.480 -8.569 21 H6 U 161 H6 U 161 27.893 24.436 -7.696 22 1H5* G 162 1H5* G 162 25.283 22.867 -2.096 23 2H5* G 162 2H5* G 162 23.843 23.435 -1.251 24 H4* G 162 H4* G 162 25.534 23.551 0.346 25 H3* G 162 H3* G 162 24.924 26.234 -0.826 26 H2* G 162 H2* G 162 26.575 27.268 0.545 27 2HO* G 162 2HO* G 162 27.498 25.981 2.220 28 H1* G 162 H1* G 162 28.564 25.451 -0.174 29 H8 G 162 H8 G 162 26.491 26.042 -3.186 30 H1 G 162 H1 G 162 30.729 30.805 -2.070 31 1H2 G 162 1H2 G 162 31.545 30.573 -0.190 32 2H2 G 162 2H2 G 162 31.141 29.281 0.919 33 1H5* C 163 1H5* C 163 24.882 26.629 3.306 34 2H5* C 163 2H5* C 163 23.649 27.700 3.973 35 H4* C 163 H4* C 163 25.821 28.498 4.609 36 H3* C 163 H3* C 163 24.359 30.209 2.611 37 H2* C 163 H2* C 163 26.080 31.837 2.766 38 2HO* C 163 2HO* C 163 27.834 30.947 4.441 39 H1* C 163 H1* C 163 28.135 29.946 2.498 40 1H4 C 163 1H4 C 163 27.200 32.190 -3.411 41 2H4 C 163 2H4 C 163 25.894 31.044 -3.620 42 H5 C 163 H5 C 163 25.087 29.642 -1.900 43 H6 C 163 H6 C 163 25.335 28.987 0.468 44 1H5* C 164 1H5* C 164 25.394 32.695 5.619 45 2H5* C 164 2H5* C 164 24.045 33.557 6.358 46 H4* C 164 H4* C 164 25.547 35.248 5.872 47 H3* C 164 H3* C 164 23.489 35.075 3.686 48 H2* C 164 H2* C 164 24.467 36.956 2.616 49 2HO* C 164 2HO* C 164 26.523 37.614 4.103 50 H1* C 164 H1* C 164 27.067 35.958 2.792 51 1H4 C 164 1H4 C 164 25.057 34.018 -2.947 52 2H4 C 164 2H4 C 164 24.219 32.680 -2.194 53 H5 C 164 H5 C 164 24.060 32.375 0.143 54 H6 C 164 H6 C 164 24.673 33.288 2.354 55 1H5* C 165 1H5* C 165 23.863 38.914 4.700 56 2H5* C 165 2H5* C 165 22.369 39.799 5.010 57 H4* C 165 H4* C 165 23.495 41.055 3.391 58 H3* C 165 H3* C 165 21.316 39.394 2.146 59 H2* C 165 H2* C 165 21.740 40.445 0.054 60 2HO* C 165 2HO* C 165 23.307 42.242 0.122 61 H1* C 165 H1* C 165 24.517 40.055 0.249 62 1H4 C 165 1H4 C 165 22.437 35.140 -3.263 63 2H4 C 165 2H4 C 165 22.004 34.294 -1.794 64 H5 C 165 H5 C 165 22.143 35.244 0.363 65 H6 C 165 H6 C 165 22.738 37.261 1.656 66 1H5* U 166 1H5* U 166 20.967 43.157 0.730 67 2H5* U 166 2H5* U 166 19.378 43.873 0.996 68 H4* U 166 H4* U 166 19.832 44.253 -1.262 69 H3* U 166 H3* U 166 17.982 41.904 -0.922 70 H2* U 166 H2* U 166 17.753 41.768 -3.287 71 2HO* U 166 2HO* U 166 18.468 43.552 -4.508 72 H1* U 166 H1* U 166 20.524 41.913 -3.718 73 H3 U 166 H3 U 166 19.321 37.650 -4.817 74 H5 U 166 H5 U 166 19.612 37.627 -0.638 75 H6 U 166 H6 U 166 19.874 40.063 -0.742 76 1H5* C 167 1H5* C 167 15.711 45.005 -3.175 77 2H5* C 167 2H5* C 167 13.998 44.592 -3.237 78 H4* C 167 H4* C 167 15.276 44.487 -5.418 79 H3* C 167 H3* C 167 13.614 42.188 -4.403 80 H2* C 167 H2* C 167 13.987 41.049 -6.452 81 2HO* C 167 2HO* C 167 15.596 42.817 -7.722 82 H1* C 167 H1* C 167 16.751 41.590 -6.436 83 1H4 C 167 1H4 C 167 16.167 35.701 -4.014 84 2H4 C 167 2H4 C 167 15.914 36.404 -2.432 85 H5 C 167 H5 C 167 15.703 38.724 -2.043 86 H6 C 167 H6 C 167 15.681 40.962 -3.086 87 1H5* A 168 1H5* A 168 9.884 44.800 -8.354 88 2H5* A 168 2H5* A 168 9.295 43.482 -7.341 89 H4* A 168 H4* A 168 10.615 42.228 -9.474 90 H3* A 168 H3* A 168 9.200 44.702 -10.416 91 H2* A 168 H2* A 168 8.349 43.515 -12.296 92 2HO* A 168 2HO* A 168 9.966 42.141 -12.841 93 H1* A 168 H1* A 168 7.413 41.385 -10.760 94 H8 A 168 H8 A 168 7.324 45.121 -9.859 95 1H6 A 168 1H6 A 168 1.191 44.704 -10.938 96 2H6 A 168 2H6 A 168 2.474 45.788 -10.447 97 H2 A 168 H2 A 168 3.012 40.725 -11.707 98 1H5* U 169 1H5* U 169 9.516 44.418 -14.473 99 2H5* U 169 2H5* U 169 9.479 46.174 -14.636 100 H4* U 169 H4* U 169 7.298 44.275 -13.899 101 H3* U 169 H3* U 169 7.645 46.554 -15.817 102 H2* U 169 H2* U 169 5.322 47.029 -15.732 103 2HO* U 169 2HO* U 169 4.023 45.342 -15.199 104 H1* U 169 H1* U 169 5.276 46.819 -12.891 105 H3 U 169 H3 U 169 5.218 51.242 -12.218 106 H5 U 169 H5 U 169 7.255 50.913 -15.861 107 H6 U 169 H6 U 169 7.111 48.478 -15.611 108 1H5* C 170 1H5* C 170 8.875 45.138 -18.690 109 2H5* C 170 2H5* C 170 8.799 43.898 -19.942 110 H4* C 170 H4* C 170 10.468 43.538 -18.072 111 H3* C 170 H3* C 170 8.459 41.452 -18.894 112 H2* C 170 H2* C 170 9.469 39.913 -17.393 113 2HO* C 170 2HO* C 170 11.601 40.262 -17.199 114 H1* C 170 H1* C 170 9.533 41.751 -15.274 115 1H4 C 170 1H4 C 170 4.126 38.552 -14.216 116 2H4 C 170 2H4 C 170 3.367 39.366 -15.566 117 H5 C 170 H5 C 170 4.493 40.862 -17.005 118 H6 C 170 H6 C 170 6.649 41.957 -17.507 119 1H5* C 171 1H5* C 171 12.575 41.650 -21.205 120 2H5* C 171 2H5* C 171 12.884 40.459 -22.468 121 H4* C 171 H4* C 171 13.932 39.947 -20.263 122 H3* C 171 H3* C 171 12.021 37.972 -21.516 123 H2* C 171 H2* C 171 12.619 36.412 -19.845 124 2HO* C 171 2HO* C 171 14.654 36.613 -19.057 125 H1* C 171 H1* C 171 12.571 38.428 -17.807 126 1H4 C 171 1H4 C 171 7.281 34.906 -17.006 127 2H4 C 171 2H4 C 171 6.459 35.964 -18.131 128 H5 C 171 H5 C 171 7.535 37.668 -19.361 129 H6 C 171 H6 C 171 9.686 38.790 -19.821 130 1H5* G 172 1H5* G 172 16.269 36.010 -21.589 131 2H5* G 172 2H5* G 172 16.184 34.943 -22.991 132 H4* G 172 H4* G 172 16.892 33.788 -20.931 133 H3* G 172 H3* G 172 14.395 32.914 -22.352 134 H2* G 172 H2* G 172 14.153 31.103 -20.823 135 2HO* G 172 2HO* G 172 16.105 31.407 -19.094 136 H1* G 172 H1* G 172 14.458 32.737 -18.579 137 H8 G 172 H8 G 172 12.536 34.759 -20.971 138 H1 G 172 H1 G 172 8.911 30.216 -18.125 139 1H2 G 172 1H2 G 172 10.132 28.879 -17.136 140 2H2 G 172 2H2 G 172 11.878 28.975 -17.087 141 1H5* U 173 1H5* U 173 16.562 29.029 -21.798 142 2H5* U 173 2H5* U 173 16.341 28.293 -23.385 143 H4* U 173 H4* U 173 15.520 26.888 -21.529 144 H3* U 173 H3* U 173 13.580 27.805 -23.644 145 H2* U 173 H2* U 173 11.919 26.401 -22.685 146 2HO* U 173 2HO* U 173 12.619 24.777 -21.281 147 H1* U 173 H1* U 173 12.514 27.292 -20.060 148 H3 U 173 H3 U 173 8.248 28.633 -21.151 149 H5 U 173 H5 U 173 10.787 31.594 -22.674 150 H6 U 173 H6 U 173 12.669 30.110 -22.153 151 1H5* C 174 1H5* C 174 13.439 23.477 -23.886 152 2H5* C 174 2H5* C 174 13.207 23.004 -25.569 153 H4* C 174 H4* C 174 11.405 22.174 -24.165 154 H3* C 174 H3* C 174 10.682 24.239 -26.236 155 H2* C 174 H2* C 174 8.391 23.927 -25.711 156 2HO* C 174 2HO* C 174 7.823 22.031 -24.619 157 H1* C 174 H1* C 174 8.937 23.935 -22.905 158 1H4 C 174 1H4 C 174 6.431 29.681 -24.144 159 2H4 C 174 2H4 C 174 7.999 30.224 -24.698 160 H5 C 174 H5 C 174 9.880 28.813 -24.915 161 H6 C 174 H6 C 174 10.728 26.509 -24.647 162 1H5* U 175 1H5* U 175 11.231 21.513 -30.673 163 2H5* U 175 2H5* U 175 11.882 23.122 -30.361 164 H4* U 175 H4* U 175 9.178 23.607 -30.609 165 H3* U 175 H3* U 175 9.890 21.303 -32.420 166 H2* U 175 H2* U 175 8.479 22.218 -34.086 167 2HO* U 175 2HO* U 175 7.291 24.258 -33.228 168 H1* U 175 H1* U 175 9.459 24.865 -33.575 169 H3 U 175 H3 U 175 11.961 25.027 -37.279 170 H5 U 175 H5 U 175 11.842 20.923 -36.451 171 H6 U 175 H6 U 175 10.585 21.470 -34.418 172 1H5* C 176 1H5* C 176 7.555 20.614 -28.179 173 2H5* C 176 2H5* C 176 7.125 18.907 -28.078 174 H4* C 176 H4* C 176 4.886 19.320 -28.025 175 H3* C 176 H3* C 176 5.414 21.706 -29.784 176 H2* C 176 H2* C 176 3.337 22.637 -29.113 177 2HO* C 176 2HO* C 176 1.990 21.169 -27.738 178 H1* C 176 H1* C 176 3.799 22.069 -26.381 179 1H4 C 176 1H4 C 176 5.318 28.236 -27.225 180 2H4 C 176 2H4 C 176 6.960 27.738 -27.571 181 H5 C 176 H5 C 176 7.634 25.485 -27.785 182 H6 C 176 H6 C 176 6.894 23.131 -27.720 183 1H5* G 177 1H5* G 177 1.297 20.173 -31.302 184 2H5* G 177 2H5* G 177 1.567 20.291 -33.040 185 H4* G 177 H4* G 177 -0.488 21.418 -32.367 186 H3* G 177 H3* G 177 1.723 23.082 -33.538 187 H2* G 177 H2* G 177 0.304 24.996 -33.494 188 2HO* G 177 2HO* G 177 -1.938 24.609 -32.935 189 H1* G 177 H1* G 177 -0.425 24.608 -30.829 190 H8 G 177 H8 G 177 3.139 23.643 -31.155 191 H1 G 177 H1 G 177 2.281 30.046 -30.790 192 1H2 G 177 1H2 G 177 0.277 30.486 -30.999 193 2H2 G 177 2H2 G 177 -0.984 29.297 -31.236 194 1H5* C 178 1H5* C 178 -1.684 23.917 -35.699 195 2H5* C 178 2H5* C 178 -1.476 23.804 -37.447 196 H4* C 178 H4* C 178 -2.419 25.922 -37.023 197 H3* C 178 H3* C 178 0.495 26.035 -37.711 198 H2* C 178 H2* C 178 0.485 28.401 -37.558 199 2HO* C 178 2HO* C 178 -1.898 29.148 -36.941 200 H1* C 178 H1* C 178 -0.951 28.369 -35.111 201 1H4 C 178 1H4 C 178 5.113 29.283 -33.353 202 2H4 C 178 2H4 C 178 5.442 27.585 -33.615 203 H5 C 178 H5 C 178 3.875 26.064 -34.514 204 H6 C 178 H6 C 178 1.582 25.796 -35.392 205 1H5* U 179 1H5* U 179 -1.500 28.591 -40.590 206 2H5* U 179 2H5* U 179 -0.628 28.644 -42.123 207 H4* U 179 H4* U 179 -0.770 30.838 -41.007 208 H3* U 179 H3* U 179 1.947 29.632 -41.503 209 H2* U 179 H2* U 179 2.945 31.656 -40.775 210 2HO* U 179 2HO* U 179 1.004 33.273 -40.169 211 H1* U 179 H1* U 179 1.210 31.856 -38.536 212 H3 U 179 H3 U 179 5.570 31.318 -37.109 213 H5 U 179 H5 U 179 4.048 27.455 -37.663 214 H6 U 179 H6 U 179 2.100 28.484 -38.738 215 1H5* U 180 1H5* U 180 1.709 33.259 -43.106 216 2H5* U 180 2H5* U 180 2.381 33.595 -44.701 217 H4* U 180 H4* U 180 3.387 35.114 -43.192 218 H3* U 180 H3* U 180 5.205 32.911 -44.102 219 H2* U 180 H2* U 180 6.997 33.808 -42.836 220 2HO* U 180 2HO* U 180 6.671 35.978 -43.150 221 H1* U 180 H1* U 180 5.361 34.189 -40.546 222 H3 U 180 H3 U 180 8.313 31.051 -39.144 223 H5 U 180 H5 U 180 5.799 28.964 -41.763 224 H6 U 180 H6 U 180 4.774 31.117 -42.337 225 1H5* A 181 1H5* A 181 6.581 36.134 -47.528 226 2H5* A 181 2H5* A 181 7.225 34.908 -48.619 227 H4* A 181 H4* A 181 8.895 36.490 -47.564 228 H3* A 181 H3* A 181 9.192 33.499 -47.488 229 H2* A 181 H2* A 181 11.315 33.740 -46.450 230 2HO* A 181 2HO* A 181 11.778 36.250 -46.156 231 H1* A 181 H1* A 181 10.393 35.568 -44.546 232 H8 A 181 H8 A 181 7.825 32.933 -45.254 233 1H6 A 181 1H6 A 181 10.611 29.510 -40.841 234 2H6 A 181 2H6 A 181 9.211 29.608 -41.886 235 H2 A 181 H2 A 181 13.148 33.067 -41.649 236 1H5* U 182 1H5* U 182 10.484 31.075 -47.824 237 2H5* U 182 2H5* U 182 11.539 30.997 -49.235 238 H4* U 182 H4* U 182 8.752 29.885 -48.923 239 H3* U 182 H3* U 182 11.478 28.674 -49.295 240 H2* U 182 H2* U 182 10.540 26.881 -50.507 241 2HO* U 182 2HO* U 182 8.501 26.341 -49.928 242 H1* U 182 H1* U 182 8.752 28.669 -51.903 243 H3 U 182 H3 U 182 11.182 26.388 -55.067 244 H5 U 182 H5 U 182 13.681 29.482 -53.758 245 H6 U 182 H6 U 182 12.045 29.921 -51.984 246 1H5* U 183 1H5* U 183 11.377 24.370 -46.686 247 2H5* U 183 2H5* U 183 11.457 23.779 -48.345 248 H4* U 183 H4* U 183 9.244 23.635 -46.369 249 H3* U 183 H3* U 183 10.485 21.798 -48.400 250 H2* U 183 H2* U 183 8.484 20.632 -48.642 251 2HO* U 183 2HO* U 183 7.106 21.809 -46.547 252 H1* U 183 H1* U 183 6.970 23.109 -48.091 253 H3 U 183 H3 U 183 8.508 21.453 -52.924 254 H5 U 183 H5 U 183 4.563 22.465 -51.948 255 H6 U 183 H6 U 183 5.347 22.918 -49.669 256 1H5* C 184 1H5* C 184 12.224 18.694 -44.714 257 2H5* C 184 2H5* C 184 13.620 18.790 -45.788 258 H4* C 184 H4* C 184 11.531 16.721 -45.558 259 H3* C 184 H3* C 184 14.459 16.804 -46.265 260 H2* C 184 H2* C 184 14.267 14.707 -47.302 261 2HO* C 184 2HO* C 184 11.747 13.983 -46.785 262 H1* C 184 H1* C 184 11.625 15.385 -48.315 263 1H4 C 184 1H4 C 184 15.552 14.882 -53.368 264 2H4 C 184 2H4 C 184 15.860 16.598 -53.216 265 H5 C 184 H5 C 184 15.078 17.921 -51.424 266 H6 C 184 H6 C 184 13.795 17.924 -49.314 267 1H5* G 185 1H5* G 185 16.201 15.750 -41.278 268 2H5* G 185 2H5* G 185 14.517 15.407 -41.677 269 H4* G 185 H4* G 185 15.711 18.150 -42.050 270 H3* G 185 H3* G 185 14.786 16.896 -39.495 271 H2* G 185 H2* G 185 13.681 18.905 -38.851 272 2HO* G 185 2HO* G 185 14.466 20.064 -41.338 273 H1* G 185 H1* G 185 12.328 19.146 -41.278 274 H8 G 185 H8 G 185 11.704 18.560 -38.213 275 H1 G 185 H1 G 185 9.272 13.328 -41.145 276 1H2 G 185 1H2 G 185 10.097 13.147 -43.026 277 2H2 G 185 2H2 G 185 11.273 14.248 -43.708 278 1H5* G 186 1H5* G 186 16.714 21.146 -36.912 279 2H5* G 186 2H5* G 186 17.068 19.728 -35.924 280 H4* G 186 H4* G 186 14.545 21.370 -36.021 281 H3* G 186 H3* G 186 16.660 20.858 -33.981 282 H2* G 186 H2* G 186 15.067 20.855 -32.208 283 2HO* G 186 2HO* G 186 12.733 21.107 -33.343 284 H1* G 186 H1* G 186 13.396 19.019 -33.481 285 H8 G 186 H8 G 186 17.055 18.340 -34.068 286 H1 G 186 H1 G 186 14.700 15.680 -28.658 287 1H2 G 186 1H2 G 186 12.789 16.377 -28.324 288 2H2 G 186 2H2 G 186 11.949 17.514 -29.355 289 1H5* G 187 1H5* G 187 16.720 26.133 -32.281 290 2H5* G 187 2H5* G 187 15.358 26.260 -33.396 291 H4* G 187 H4* G 187 18.122 27.367 -33.622 292 H3* G 187 H3* G 187 15.339 28.416 -33.828 293 H2* G 187 H2* G 187 15.972 30.028 -35.465 294 2HO* G 187 2HO* G 187 18.608 29.078 -35.623 295 H1* G 187 H1* G 187 17.238 28.143 -37.084 296 H8 G 187 H8 G 187 14.310 26.396 -35.709 297 H1 G 187 H1 G 187 12.724 30.511 -40.445 298 1H2 G 187 1H2 G 187 14.331 31.734 -40.864 299 2H2 G 187 2H2 G 187 15.879 31.655 -40.051 300 1H5* G 188 1H5* G 188 17.557 31.939 -34.268 301 2H5* G 188 2H5* G 188 17.287 32.780 -32.741 302 H4* G 188 H4* G 188 16.938 34.433 -34.321 303 H3* G 188 H3* G 188 14.293 33.268 -33.492 304 H2* G 188 H2* G 188 13.172 34.863 -34.862 305 2HO* G 188 2HO* G 188 14.800 36.368 -36.007 306 H1* G 188 H1* G 188 14.769 34.315 -37.090 307 H8 G 188 H8 G 188 14.226 31.068 -35.448 308 H1 G 188 H1 G 188 9.046 33.043 -38.788 309 1H2 G 188 1H2 G 188 9.282 35.022 -39.318 310 2H2 G 188 2H2 G 188 10.676 36.000 -38.916 311 1H5* A 189 1H5* A 189 13.528 37.747 -33.414 312 2H5* A 189 2H5* A 189 12.688 37.850 -31.867 313 H4* A 189 H4* A 189 11.391 38.801 -33.728 314 H3* A 189 H3* A 189 10.270 36.454 -32.215 315 H2* A 189 H2* A 189 8.238 36.654 -33.439 316 2HO* A 189 2HO* A 189 8.166 38.557 -34.929 317 H1* A 189 H1* A 189 9.556 36.801 -35.909 318 H8 A 189 H8 A 189 11.198 34.363 -33.579 319 1H6 A 189 1H6 A 189 7.259 30.079 -35.835 320 2H6 A 189 2H6 A 189 8.667 30.318 -34.824 321 H2 A 189 H2 A 189 6.024 34.057 -37.384 322 1H5* G 190 1H5* G 190 7.607 39.510 -32.434 323 2H5* G 190 2H5* G 190 6.960 40.106 -30.905 324 H4* G 190 H4* G 190 5.076 39.889 -32.234 325 H3* G 190 H3* G 190 5.362 37.468 -30.478 326 H2* G 190 H2* G 190 3.301 36.619 -31.321 327 2HO* G 190 2HO* G 190 3.100 38.870 -33.050 328 H1* G 190 H1* G 190 4.040 36.998 -33.986 329 H8 G 190 H8 G 190 7.023 35.936 -32.018 330 H1 G 190 H1 G 190 3.230 31.004 -33.799 331 1H2 G 190 1H2 G 190 1.458 31.737 -34.558 332 2H2 G 190 2H2 G 190 1.060 33.436 -34.692 333 1H5* C 191 1H5* C 191 1.486 39.022 -29.743 334 2H5* C 191 2H5* C 191 0.942 38.777 -28.084 335 H4* C 191 H4* C 191 -0.525 37.654 -29.663 336 H3* C 191 H3* C 191 1.065 35.901 -27.799 337 H2* C 191 H2* C 191 -0.147 34.016 -28.586 338 2HO* C 191 2HO* C 191 -2.009 34.466 -29.934 339 H1* C 191 H1* C 191 0.180 34.751 -31.290 340 1H4 C 191 1H4 C 191 4.748 30.426 -30.133 341 2H4 C 191 2H4 C 191 5.782 31.714 -29.558 342 H5 C 191 H5 C 191 5.076 33.952 -29.295 343 H6 C 191 H6 C 191 3.183 35.521 -29.521 344 1H5* G 192 1H5* G 192 -3.076 34.840 -27.261 345 2H5* G 192 2H5* G 192 -3.430 34.925 -25.535 346 H4* G 192 H4* G 192 -4.250 32.845 -26.283 347 H3* G 192 H3* G 192 -1.693 32.610 -24.726 348 H2* G 192 H2* G 192 -1.813 30.235 -24.876 349 2HO* G 192 2HO* G 192 -4.096 30.241 -26.489 350 H1* G 192 H1* G 192 -2.227 30.258 -27.635 351 H8 G 192 H8 G 192 0.138 33.001 -26.877 352 H1 G 192 H1 G 192 2.976 27.185 -26.946 353 1H2 G 192 1H2 G 192 1.531 25.715 -26.985 354 2H2 G 192 2H2 G 192 -0.192 26.013 -26.997 355 1H5* G 193 1H5* G 193 -4.405 29.877 -22.603 356 2H5* G 193 2H5* G 193 -4.020 30.040 -20.890 357 H4* G 193 H4* G 193 -3.757 27.739 -21.725 358 H3* G 193 H3* G 193 -1.380 29.181 -20.590 359 H2* G 193 H2* G 193 -0.076 27.198 -20.802 360 2HO* G 193 2HO* G 193 -2.186 25.788 -22.020 361 H1* G 193 H1* G 193 -0.822 26.788 -23.460 362 H8 G 193 H8 G 193 -0.500 30.433 -23.116 363 H1 G 193 H1 G 193 5.246 27.479 -23.478 364 1H2 G 193 1H2 G 193 4.991 25.446 -23.246 365 2H2 G 193 2H2 G 193 3.450 24.659 -22.992 366 1H5* A 194 1H5* A 194 -1.691 25.570 -17.967 367 2H5* A 194 2H5* A 194 -1.310 26.160 -16.350 368 H4* A 194 H4* A 194 0.163 24.332 -17.036 369 H3* A 194 H3* A 194 1.389 27.033 -16.524 370 H2* A 194 H2* A 194 3.553 26.081 -16.797 371 2HO* A 194 2HO* A 194 3.241 23.586 -17.358 372 H1* A 194 H1* A 194 2.847 24.777 -19.182 373 H8 A 194 H8 A 194 1.285 28.161 -19.049 374 1H6 A 194 1H6 A 194 6.604 30.377 -21.447 375 2H6 A 194 2H6 A 194 4.952 30.787 -21.043 376 H2 A 194 H2 A 194 7.249 26.126 -20.328 377 1H5* C 195 1H5* C 195 3.414 24.372 -14.466 378 2H5* C 195 2H5* C 195 3.603 24.612 -12.729 379 H4* C 195 H4* C 195 5.774 24.268 -13.440 380 H3* C 195 H3* C 195 5.269 27.234 -13.284 381 H2* C 195 H2* C 195 7.551 27.624 -13.813 382 2HO* C 195 2HO* C 195 8.522 25.165 -14.153 383 H1* C 195 H1* C 195 7.525 25.760 -15.935 384 1H4 C 195 1H4 C 195 6.732 31.451 -18.727 385 2H4 C 195 2H4 C 195 5.021 31.367 -18.372 386 H5 C 195 H5 C 195 4.027 29.655 -17.083 387 H6 C 195 H6 C 195 4.435 27.581 -15.807 388 1H5* G 196 1H5* G 196 8.713 26.252 -11.019 389 2H5* G 196 2H5* G 196 8.614 26.900 -9.382 390 H4* G 196 H4* G 196 10.755 27.462 -10.176 391 H3* G 196 H3* G 196 8.859 29.776 -10.135 392 H2* G 196 H2* G 196 10.550 31.241 -10.956 393 2HO* G 196 2HO* G 196 12.650 30.566 -10.734 394 H1* G 196 H1* G 196 11.231 29.525 -13.063 395 H8 G 196 H8 G 196 7.540 29.476 -12.530 396 H1 G 196 H1 G 196 9.561 34.500 -16.073 397 1H2 G 196 1H2 G 196 11.619 34.613 -15.997 398 2H2 G 196 2H2 G 196 12.644 33.510 -15.107 399 1H5* A 197 1H5* A 197 9.894 28.454 -4.772 400 2H5* A 197 2H5* A 197 8.427 29.415 -4.958 401 H4* A 197 H4* A 197 10.876 29.998 -3.501 402 H3* A 197 H3* A 197 8.043 31.046 -3.485 403 H2* A 197 H2* A 197 8.756 32.930 -2.379 404 2HO* A 197 2HO* A 197 10.755 32.548 -0.991 405 H1* A 197 H1* A 197 11.554 32.406 -3.322 406 H8 A 197 H8 A 197 8.638 33.989 -5.204 407 1H6 A 197 1H6 A 197 11.684 39.385 -4.451 408 2H6 A 197 2H6 A 197 10.291 38.635 -5.199 409 H2 A 197 H2 A 197 13.892 36.223 -2.243 410 1H5* U 198 1H5* U 198 10.097 30.366 1.275 411 2H5* U 198 2H5* U 198 8.932 29.047 1.155 412 H4* U 198 H4* U 198 7.398 30.387 2.638 413 H3* U 198 H3* U 198 9.528 32.377 2.439 414 H2* U 198 H2* U 198 10.405 31.847 4.497 415 2HO* U 198 2HO* U 198 9.109 32.968 6.027 416 H1* U 198 H1* U 198 7.763 30.400 5.077 417 H3 U 198 H3 U 198 8.949 27.935 8.622 418 H5 U 198 H5 U 198 12.618 29.472 7.316 419 H6 U 198 H6 U 198 11.414 30.476 5.431 420 1H5* G 199 1H5* G 199 9.237 34.399 0.038 421 2H5* G 199 2H5* G 199 10.573 33.941 1.095 422 H4* G 199 H4* G 199 10.665 36.172 -0.233 423 H3* G 199 H3* G 199 11.534 35.710 2.597 424 H2* G 199 H2* G 199 12.187 37.985 2.811 425 2HO* G 199 2HO* G 199 11.899 39.255 0.724 426 H1* G 199 H1* G 199 9.808 39.010 1.854 427 H8 G 199 H8 G 199 10.020 35.782 3.922 428 H1 G 199 H1 G 199 8.047 41.038 7.140 429 1H2 G 199 1H2 G 199 8.091 42.672 5.884 430 2H2 G 199 2H2 G 199 8.589 42.625 4.208 431 1H5* A 200 1H5* A 200 12.625 36.495 4.069 432 2H5* A 200 2H5* A 200 14.317 36.745 4.497 433 H4* A 200 H4* A 200 13.350 35.631 6.325 434 H3* A 200 H3* A 200 15.090 33.892 4.637 435 H2* A 200 H2* A 200 14.630 31.979 5.978 436 2HO* A 200 2HO* A 200 12.852 33.545 7.558 437 H1* A 200 H1* A 200 11.910 32.196 5.814 438 H8 A 200 H8 A 200 12.514 33.593 2.590 439 1H6 A 200 1H6 A 200 14.181 27.972 0.450 440 2H6 A 200 2H6 A 200 13.730 29.594 -0.027 441 H2 A 200 H2 A 200 14.112 27.805 4.890 442 1H5* C 201 1H5* C 201 18.373 33.429 8.301 443 2H5* C 201 2H5* C 201 18.222 31.748 7.792 444 H4* C 201 H4* C 201 15.970 33.635 8.515 445 H3* C 201 H3* C 201 17.240 31.308 9.951 446 H2* C 201 H2* C 201 15.147 30.869 10.997 447 2HO* C 201 2HO* C 201 13.428 32.509 10.450 448 H1* C 201 H1* C 201 13.753 31.088 8.540 449 1H4 C 201 1H4 C 201 14.634 24.837 9.726 450 2H4 C 201 2H4 C 201 16.018 24.903 8.658 451 H5 C 201 H5 C 201 16.879 26.901 7.740 452 H6 C 201 H6 C 201 16.619 29.355 7.621 453 1H5* C 202 1H5* C 202 15.544 33.675 13.339 454 2H5* C 202 2H5* C 202 16.741 33.530 14.626 455 H4* C 202 H4* C 202 14.504 32.736 15.287 456 H3* C 202 H3* C 202 16.805 30.793 15.308 457 H2* C 202 H2* C 202 15.396 29.174 16.321 458 2HO* C 202 2HO* C 202 13.181 30.919 16.312 459 H1* C 202 H1* C 202 13.275 29.690 14.520 460 1H4 C 202 1H4 C 202 16.202 24.451 12.301 461 2H4 C 202 2H4 C 202 17.304 25.481 11.416 462 H5 C 202 H5 C 202 17.353 27.834 11.612 463 H6 C 202 H6 C 202 16.344 29.798 12.718 464 1H5* C 203 1H5* C 203 15.762 31.144 19.758 465 2H5* C 203 2H5* C 203 17.242 30.657 20.583 466 H4* C 203 H4* C 203 15.246 29.207 21.010 467 H3* C 203 H3* C 203 17.823 28.059 19.960 468 H2* C 203 H2* C 203 16.917 25.871 20.196 469 2HO* C 203 2HO* C 203 15.402 25.692 21.750 470 H1* C 203 H1* C 203 14.514 26.562 18.915 471 1H4 C 203 1H4 C 203 18.203 23.967 14.376 472 2H4 C 203 2H4 C 203 18.866 25.553 14.054 473 H5 C 203 H5 C 203 18.381 27.469 15.348 474 H6 C 203 H6 C 203 17.128 28.342 17.288 475 1H5* U 204 1H5* U 204 16.658 26.106 23.322 476 2H5* U 204 2H5* U 204 17.870 25.780 24.560 477 H4* U 204 H4* U 204 16.774 23.731 24.020 478 H3* U 204 H3* U 204 19.609 23.939 23.047 479 H2* U 204 H2* U 204 19.510 21.687 22.282 480 2HO* U 204 2HO* U 204 16.852 21.256 22.913 481 H1* U 204 H1* U 204 17.107 22.064 20.920 482 H3 U 204 H3 U 204 20.560 21.664 17.890 483 H5 U 204 H5 U 204 20.298 25.744 18.796 484 H6 U 204 H6 U 204 18.739 25.145 20.592 485 1H5* A 205 1H5* A 205 20.515 21.678 27.131 486 2H5* A 205 2H5* A 205 22.247 21.977 27.270 487 H4* A 205 H4* A 205 21.500 19.640 26.582 488 H3* A 205 H3* A 205 23.606 21.219 25.123 489 H2* A 205 H2* A 205 24.031 19.340 23.735 490 2HO* A 205 2HO* A 205 22.804 17.346 24.374 491 H1* A 205 H1* A 205 21.316 18.879 23.216 492 H8 A 205 H8 A 205 21.749 22.536 23.218 493 1H6 A 205 1H6 A 205 23.818 22.079 17.348 494 2H6 A 205 2H6 A 205 23.290 23.202 18.582 495 H2 A 205 H2 A 205 23.596 17.987 19.065 496 1H5* G 206 1H5* G 206 25.988 19.364 23.323 497 2H5* G 206 2H5* G 206 27.378 19.243 24.402 498 H4* G 206 H4* G 206 26.579 21.633 22.730 499 H3* G 206 H3* G 206 28.627 19.494 22.384 500 H2* G 206 H2* G 206 30.248 21.051 21.594 501 2HO* G 206 2HO* G 206 28.551 23.251 22.045 502 H1* G 206 H1* G 206 29.892 22.781 23.754 503 H8 G 206 H8 G 206 30.512 19.126 22.962 504 H1 G 206 H1 G 206 34.078 21.477 27.823 505 1H2 G 206 1H2 G 206 33.445 23.385 28.283 506 2H2 G 206 2H2 G 206 32.141 24.223 27.471 507 1H5* U 207 1H5* U 207 26.558 20.271 17.615 508 2H5* U 207 2H5* U 207 27.996 20.064 16.616 509 H4* U 207 H4* U 207 26.491 22.055 16.116 510 H3* U 207 H3* U 207 29.473 22.261 16.464 511 H2* U 207 H2* U 207 29.374 24.559 15.877 512 2HO* U 207 2HO* U 207 27.839 24.669 14.320 513 H1* U 207 H1* U 207 27.242 25.106 17.603 514 H3 U 207 H3 U 207 30.507 27.128 19.935 515 H5 U 207 H5 U 207 31.583 23.086 20.133 516 H6 U 207 H6 U 207 29.713 22.615 18.618 517 1H5* A 208 1H5* A 208 30.676 22.983 11.284 518 2H5* A 208 2H5* A 208 29.198 22.815 10.336 519 H4* A 208 H4* A 208 30.822 21.274 9.501 520 H3* A 208 H3* A 208 28.470 20.090 10.909 521 H2* A 208 H2* A 208 29.291 17.883 10.598 522 2HO* A 208 2HO* A 208 31.677 18.656 9.393 523 H1* A 208 H1* A 208 31.848 18.502 11.549 524 H8 A 208 H8 A 208 28.636 19.926 13.079 525 1H6 A 208 1H6 A 208 29.442 15.628 17.532 526 2H6 A 208 2H6 A 208 28.441 16.969 17.021 527 H2 A 208 H2 A 208 32.625 15.083 14.482 528 1H5* G 209 1H5* G 209 27.618 18.483 7.656 529 2H5* G 209 2H5* G 209 25.910 18.283 7.261 530 H4* G 209 H4* G 209 26.820 16.493 8.710 531 H3* G 209 H3* G 209 24.505 18.168 9.634 532 H2* G 209 H2* G 209 24.307 16.821 11.590 533 2HO* G 209 2HO* G 209 26.406 15.165 11.320 534 H1* G 209 H1* G 209 27.029 17.019 12.199 535 H8 G 209 H8 G 209 25.836 20.270 10.826 536 H1 G 209 H1 G 209 24.480 19.487 17.105 537 1H2 G 209 1H2 G 209 24.858 17.535 17.653 538 2H2 G 209 2H2 G 209 25.454 16.295 16.572 539 1H5* A 210 1H5* A 210 23.622 14.097 10.879 540 2H5* A 210 2H5* A 210 22.008 13.824 10.222 541 H4* A 210 H4* A 210 22.014 13.297 12.564 542 H3* A 210 H3* A 210 20.472 15.772 11.808 543 H2* A 210 H2* A 210 19.690 15.941 14.044 544 2HO* A 210 2HO* A 210 19.772 14.093 15.295 545 H1* A 210 H1* A 210 22.244 15.543 15.147 546 H8 A 210 H8 A 210 22.342 17.700 12.083 547 1H6 A 210 1H6 A 210 21.362 22.552 15.884 548 2H6 A 210 2H6 A 210 21.758 22.095 14.243 549 H2 A 210 H2 A 210 20.865 18.818 18.240 550 1H5* G 211 1H5* G 211 17.387 12.978 14.055 551 2H5* G 211 2H5* G 211 15.952 13.405 13.123 552 H4* G 211 H4* G 211 15.742 13.684 15.601 553 H3* G 211 H3* G 211 15.197 15.948 13.702 554 H2* G 211 H2* G 211 14.487 17.304 15.528 555 2HO* G 211 2HO* G 211 15.108 15.235 17.363 556 H1* G 211 H1* G 211 16.761 16.748 17.048 557 H8 G 211 H8 G 211 17.966 16.968 13.583 558 H1 G 211 H1 G 211 16.751 22.787 16.140 559 1H2 G 211 1H2 G 211 15.700 22.560 17.899 560 2H2 G 211 2H2 G 211 15.218 21.023 18.580 561 1H5* G 212 1H5* G 212 10.857 15.394 15.680 562 2H5* G 212 2H5* G 212 9.952 15.822 14.229 563 H4* G 212 H4* G 212 9.433 17.185 16.266 564 H3* G 212 H3* G 212 10.271 18.454 13.675 565 H2* G 212 H2* G 212 9.901 20.613 14.614 566 2HO* G 212 2HO* G 212 8.081 20.051 15.834 567 H1* G 212 H1* G 212 11.398 20.065 16.902 568 H8 G 212 H8 G 212 13.175 18.354 14.175 569 H1 G 212 H1 G 212 14.172 24.748 14.132 570 1H2 G 212 1H2 G 212 12.832 25.663 15.405 571 2H2 G 212 2H2 G 212 11.619 24.823 16.346 572 1H5* G 213 1H5* G 213 5.841 20.243 14.109 573 2H5* G 213 2H5* G 213 5.514 20.329 12.379 574 H4* G 213 H4* G 213 5.297 22.492 13.617 575 H3* G 213 H3* G 213 7.103 22.209 11.233 576 H2* G 213 H2* G 213 7.585 24.541 11.322 577 2HO* G 213 2HO* G 213 5.473 25.144 11.946 578 H1* G 213 H1* G 213 8.199 24.486 14.042 579 H8 G 213 H8 G 213 9.503 21.307 12.764 580 H1 G 213 H1 G 213 13.243 26.322 11.106 581 1H2 G 213 1H2 G 213 12.239 28.083 11.480 582 2H2 G 213 2H2 G 213 10.624 28.186 12.145 583 1H5* G 214 1H5* G 214 6.645 25.907 10.057 584 2H5* G 214 2H5* G 214 5.529 25.687 8.710 585 H4* G 214 H4* G 214 7.352 26.791 7.773 586 H3* G 214 H3* G 214 7.452 23.850 7.188 587 H2* G 214 H2* G 214 9.425 24.155 5.890 588 2HO* G 214 2HO* G 214 9.976 26.288 5.317 589 H1* G 214 H1* G 214 10.744 25.591 7.863 590 H8 G 214 H8 G 214 8.734 23.130 9.717 591 H1 G 214 H1 G 214 13.989 20.489 7.018 592 1H2 G 214 1H2 G 214 14.817 21.819 5.677 593 2H2 G 214 2H2 G 214 14.182 23.413 5.334 594 1H5* G 215 1H5* G 215 8.530 25.235 3.402 595 2H5* G 215 2H5* G 215 7.015 25.071 2.513 596 H4* G 215 H4* G 215 8.593 24.230 1.042 597 H3* G 215 H3* G 215 7.245 21.984 2.505 598 H2* G 215 H2* G 215 8.505 20.393 1.260 599 2HO* G 215 2HO* G 215 8.908 21.171 -0.726 600 H1* G 215 H1* G 215 10.942 21.615 1.785 601 H8 G 215 H8 G 215 8.665 21.980 4.734 602 H1 G 215 H1 G 215 11.794 16.319 4.548 603 1H2 G 215 1H2 G 215 12.741 16.115 2.728 604 2H2 G 215 2H2 G 215 12.694 17.301 1.443 605 1H5* C 216 1H5* C 216 4.795 21.868 -1.507 606 2H5* C 216 2H5* C 216 3.451 20.803 -1.097 607 H4* C 216 H4* C 216 5.443 19.841 -2.410 608 H3* C 216 H3* C 216 4.159 18.522 -0.027 609 H2* C 216 H2* C 216 5.547 16.624 -0.356 610 2HO* C 216 2HO* C 216 6.081 16.303 -2.438 611 H1* C 216 H1* C 216 7.876 18.157 -0.655 612 1H4 C 216 1H4 C 216 7.690 16.379 5.497 613 2H4 C 216 2H4 C 216 6.847 17.869 5.856 614 H5 C 216 H5 C 216 6.094 19.385 4.208 615 H6 C 216 H6 C 216 5.963 19.848 1.786 616 1H5* U 217 1H5* U 217 3.945 15.766 -3.095 617 2H5* U 217 2H5* U 217 2.441 14.849 -3.176 618 H4* U 217 H4* U 217 4.343 13.369 -2.908 619 H3* U 217 H3* U 217 2.393 13.503 -0.619 620 H2* U 217 H2* U 217 3.558 11.717 0.444 621 2HO* U 217 2HO* U 217 5.386 10.821 -0.882 622 H1* U 217 H1* U 217 6.058 12.937 0.080 623 H3 U 217 H3 U 217 5.323 13.230 4.557 624 H5 U 217 H5 U 217 2.931 16.254 2.921 625 H6 U 217 H6 U 217 3.491 15.362 0.706 626 1H5* G 218 1H5* G 218 0.462 9.130 -2.647 627 2H5* G 218 2H5* G 218 0.084 8.440 -1.069 628 H4* G 218 H4* G 218 1.695 6.962 -1.448 629 H3* G 218 H3* G 218 3.382 9.405 -0.976 630 H2* G 218 H2* G 218 5.326 8.203 -1.557 631 2HO* G 218 2HO* G 218 4.526 5.746 -2.035 632 H1* G 218 H1* G 218 3.981 6.897 -3.742 633 H8 G 218 H8 G 218 3.547 10.594 -3.761 634 H1 G 218 H1 G 218 9.096 8.656 -6.470 635 1H2 G 218 1H2 G 218 9.391 6.654 -6.079 636 2H2 G 218 2H2 G 218 8.298 5.648 -5.154 637 1H5* C 219 1H5* C 219 4.544 6.454 1.794 638 2H5* C 219 2H5* C 219 4.043 5.003 2.662 639 H4* C 219 H4* C 219 4.935 6.193 4.383 640 H3* C 219 H3* C 219 2.024 6.884 4.254 641 H2* C 219 H2* C 219 2.241 8.475 5.972 642 2HO* C 219 2HO* C 219 3.594 7.635 7.453 643 H1* C 219 H1* C 219 4.625 9.593 5.000 644 1H4 C 219 1H4 C 219 -0.360 13.120 2.922 645 2H4 C 219 2H4 C 219 -0.003 12.478 1.334 646 H5 C 219 H5 C 219 1.569 10.763 0.931 647 H6 C 219 H6 C 219 3.202 9.225 1.963 648 1H5* G 220 1H5* G 220 5.178 3.059 6.135 649 2H5* G 220 2H5* G 220 5.085 4.810 5.952 650 H4* G 220 H4* G 220 6.907 2.895 4.738 651 H3* G 220 H3* G 220 6.885 5.889 5.152 652 H2* G 220 H2* G 220 8.683 6.067 3.685 653 2HO* G 220 2HO* G 220 9.468 3.535 3.326 654 H1* G 220 H1* G 220 7.715 3.691 2.213 655 H8 G 220 H8 G 220 7.502 4.450 -0.176 656 H1 G 220 H1 G 220 6.706 10.645 1.521 657 1H2 G 220 1H2 G 220 6.624 10.790 3.577 658 2H2 G 220 2H2 G 220 6.750 9.436 4.677 659 1H5* G 221 1H5* G 221 10.313 5.103 6.251 660 2H5* G 221 2H5* G 221 11.252 6.271 7.180 661 H4* G 221 H4* G 221 10.837 6.344 4.478 662 H3* G 221 H3* G 221 11.615 8.521 6.422 663 H2* G 221 H2* G 221 11.784 10.012 4.588 664 2HO* G 221 2HO* G 221 11.091 8.176 2.630 665 H1* G 221 H1* G 221 9.364 9.064 3.434 666 H8 G 221 H8 G 221 8.986 9.599 7.094 667 H1 G 221 H1 G 221 8.360 15.038 3.643 668 1H2 G 221 1H2 G 221 8.947 14.690 1.697 669 2H2 G 221 2H2 G 221 9.523 13.154 1.091 670 1H5* C 222 1H5* C 222 15.733 7.996 4.445 671 2H5* C 222 2H5* C 222 16.700 9.219 5.270 672 H4* C 222 H4* C 222 15.444 9.620 2.924 673 H3* C 222 H3* C 222 16.123 11.607 5.094 674 H2* C 222 H2* C 222 15.289 13.330 3.703 675 2HO* C 222 2HO* C 222 14.749 12.607 1.448 676 H1* C 222 H1* C 222 13.014 11.813 2.936 677 1H4 C 222 1H4 C 222 11.065 15.950 7.431 678 2H4 C 222 2H4 C 222 11.370 14.710 8.627 679 H5 C 222 H5 C 222 12.403 12.641 8.146 680 H6 C 222 H6 C 222 13.408 11.239 6.379 681 1H5* U 223 1H5* U 223 16.559 14.054 2.043 682 2H5* U 223 2H5* U 223 18.260 14.519 2.063 683 H4* U 223 H4* U 223 16.973 16.512 2.118 684 H3* U 223 H3* U 223 18.284 15.837 4.739 685 H2* U 223 H2* U 223 17.414 17.775 5.720 686 2HO* U 223 2HO* U 223 17.521 19.448 4.345 687 H1* U 223 H1* U 223 14.949 17.529 4.175 688 H3 U 223 H3 U 223 13.565 18.087 8.492 689 H5 U 223 H5 U 223 14.958 14.142 8.318 690 H6 U 223 H6 U 223 15.808 14.645 6.074 691 1H5* U 224 1H5* U 224 21.181 16.660 -0.101 692 2H5* U 224 2H5* U 224 20.312 17.892 0.815 693 H4* U 224 H4* U 224 19.411 16.208 -1.459 694 H3* U 224 H3* U 224 19.165 19.076 -0.626 695 H2* U 224 H2* U 224 17.150 19.306 -1.861 696 2HO* U 224 2HO* U 224 17.732 18.043 -3.625 697 H1* U 224 H1* U 224 16.108 16.875 -0.812 698 H3 U 224 H3 U 224 13.239 19.182 1.699 699 H5 U 224 H5 U 224 16.787 21.343 2.227 700 H6 U 224 H6 U 224 17.875 19.730 0.734 701 1H5* A 225 1H5* A 225 20.389 19.992 -5.099 702 2H5* A 225 2H5* A 225 20.208 21.746 -5.044 703 H4* A 225 H4* A 225 18.305 20.108 -5.950 704 H3* A 225 H3* A 225 17.991 22.746 -4.518 705 H2* A 225 H2* A 225 15.652 22.597 -4.863 706 2HO* A 225 2HO* A 225 16.096 20.163 -6.293 707 H1* A 225 H1* A 225 15.551 19.881 -4.088 708 H8 A 225 H8 A 225 17.793 21.835 -1.838 709 1H6 A 225 1H6 A 225 12.708 23.275 1.482 710 2H6 A 225 2H6 A 225 14.455 23.348 1.461 711 H2 A 225 H2 A 225 11.400 21.304 -2.280 712 1H5* G 226 1H5* G 226 15.911 22.760 -7.976 713 2H5* G 226 2H5* G 226 16.068 24.159 -9.038 714 H4* G 226 H4* G 226 13.781 23.963 -8.781 715 H3* G 226 H3* G 226 14.807 25.991 -6.806 716 H2* G 226 H2* G 226 12.562 26.463 -6.169 717 2HO* G 226 2HO* G 226 11.064 26.052 -7.704 718 H1* G 226 H1* G 226 11.926 23.732 -5.901 719 H8 G 226 H8 G 226 15.342 24.615 -4.605 720 H1 G 226 H1 G 226 10.588 25.466 -0.295 721 1H2 G 226 1H2 G 226 8.764 25.243 -1.229 722 2H2 G 226 2H2 G 226 8.553 24.880 -2.929 723 1H5* G 227 1H5* G 227 13.857 28.133 -11.752 724 2H5* G 227 2H5* G 227 15.592 27.821 -11.775 725 H4* G 227 H4* G 227 14.890 29.958 -12.857 726 H3* G 227 H3* G 227 16.891 29.945 -10.609 727 H2* G 227 H2* G 227 17.255 32.273 -10.954 728 2HO* G 227 2HO* G 227 15.336 32.543 -12.949 729 H1* G 227 H1* G 227 14.505 32.845 -10.990 730 H8 G 227 H8 G 227 15.358 30.265 -8.412 731 H1 G 227 H1 G 227 16.207 36.352 -6.385 732 1H2 G 227 1H2 G 227 16.024 37.642 -7.983 733 2H2 G 227 2H2 G 227 15.690 37.148 -9.628 734 1H5* A 228 1H5* A 228 18.713 31.898 -14.198 735 2H5* A 228 2H5* A 228 20.462 31.957 -13.978 736 H4* A 228 H4* A 228 19.270 34.178 -14.108 737 H3* A 228 H3* A 228 21.110 33.474 -11.827 738 H2* A 228 H2* A 228 20.906 35.696 -11.015 739 2HO* A 228 2HO* A 228 20.670 37.104 -12.647 740 H1* A 228 H1* A 228 18.104 35.714 -11.304 741 H8 A 228 H8 A 228 19.005 32.402 -9.976 742 1H6 A 228 1H6 A 228 19.269 34.981 -4.299 743 2H6 A 228 2H6 A 228 19.260 33.462 -5.167 744 H2 A 228 H2 A 228 18.998 38.248 -7.299 745 1H5* G 229 1H5* G 229 22.850 37.225 -13.918 746 2H5* G 229 2H5* G 229 24.582 36.896 -13.870 747 H4* G 229 H4* G 229 24.062 39.120 -13.017 748 H3* G 229 H3* G 229 25.283 37.118 -11.148 749 H2* G 229 H2* G 229 25.389 38.760 -9.424 750 2HO* G 229 2HO* G 229 25.634 40.750 -10.250 751 H1* G 229 H1* G 229 22.715 39.505 -9.740 752 H8 G 229 H8 G 229 22.750 35.867 -10.253 753 H1 G 229 H1 G 229 23.270 37.471 -4.005 754 1H2 G 229 1H2 G 229 23.663 39.490 -3.842 755 2H2 G 229 2H2 G 229 23.829 40.583 -5.197 756 1H5* G 230 1H5* G 230 28.168 40.967 -10.886 757 2H5* G 230 2H5* G 230 29.660 40.042 -10.726 758 H4* G 230 H4* G 230 29.261 41.749 -8.940 759 H3* G 230 H3* G 230 29.759 38.859 -8.286 760 H2* G 230 H2* G 230 29.764 39.387 -5.963 761 2HO* G 230 2HO* G 230 29.174 42.098 -6.548 762 H1* G 230 H1* G 230 27.363 40.798 -6.099 763 H8 G 230 H8 G 230 26.948 37.991 -8.437 764 H1 G 230 H1 G 230 26.384 36.155 -2.257 765 1H2 G 230 1H2 G 230 27.036 37.674 -1.024 766 2H2 G 230 2H2 G 230 27.645 39.216 -1.583 767 1H5* G 231 1H5* G 231 32.990 41.336 -5.412 768 2H5* G 231 2H5* G 231 34.225 40.153 -5.841 769 H4* G 231 H4* G 231 33.868 40.490 -3.386 770 H3* G 231 H3* G 231 33.677 37.773 -4.655 771 H2* G 231 H2* G 231 33.399 36.791 -2.502 772 2HO* G 231 2HO* G 231 33.413 39.300 -1.222 773 H1* G 231 H1* G 231 31.381 38.570 -1.762 774 H8 G 231 H8 G 231 30.899 37.853 -5.357 775 H1 G 231 H1 G 231 28.726 33.100 -1.540 776 1H2 G 231 1H2 G 231 29.387 33.409 0.389 777 2H2 G 231 2H2 G 231 30.383 34.755 0.896 778 1H5* C 232 1H5* C 232 36.074 37.656 -1.499 779 2H5* C 232 2H5* C 232 37.684 36.954 -1.649 780 H4* C 232 H4* C 232 36.754 35.874 0.192 781 H3* C 232 H3* C 232 36.558 34.142 -2.259 782 H2* C 232 H2* C 232 35.649 32.388 -0.942 783 2HO* C 232 2HO* C 232 35.568 33.700 1.466 784 H1* C 232 H1* C 232 33.785 34.045 0.322 785 1H4 C 232 1H4 C 232 30.557 31.606 -4.611 786 2H4 C 232 2H4 C 232 31.317 32.766 -5.678 787 H5 C 232 H5 C 232 33.004 34.271 -4.996 788 H6 C 232 H6 C 232 34.392 35.042 -3.105 789 1H5* A 233 1H5* A 233 38.251 32.015 0.841 790 2H5* A 233 2H5* A 233 39.701 31.100 0.428 791 H4* A 233 H4* A 233 38.234 29.590 1.489 792 H3* A 233 H3* A 233 38.356 29.203 -1.489 793 H2* A 233 H2* A 233 36.946 27.296 -1.295 794 2HO* A 233 2HO* A 233 36.359 27.184 1.281 795 H1* A 233 H1* A 233 35.071 28.622 0.297 796 H8 A 233 H8 A 233 36.339 31.024 -2.235 797 1H6 A 233 1H6 A 233 32.130 28.660 -6.189 798 2H6 A 233 2H6 A 233 33.279 29.957 -5.951 799 H2 A 233 H2 A 233 32.275 26.054 -2.593 800 1H5* G 234 1H5* G 234 39.093 25.221 0.124 801 2H5* G 234 2H5* G 234 40.671 24.777 -0.525 802 H4* G 234 H4* G 234 39.332 22.929 -0.972 803 H3* G 234 H3* G 234 39.601 24.655 -3.415 804 H2* G 234 H2* G 234 38.343 23.070 -4.674 805 2HO* G 234 2HO* G 234 38.512 21.039 -3.918 806 H1* G 234 H1* G 234 36.290 22.943 -2.787 807 H8 G 234 H8 G 234 37.663 26.420 -3.067 808 H1 G 234 H1 G 234 33.176 25.018 -7.514 809 1H2 G 234 1H2 G 234 32.752 23.002 -7.454 810 2H2 G 234 2H2 G 234 33.501 21.860 -6.360 811 1H GLY 15 1H GLY 15 3.965 -1.166 -3.484 812 1HA GLY 15 1HA GLY 15 5.559 -1.469 -1.755 813 2HA GLY 15 2HA GLY 15 6.506 -1.632 -3.226 814 H ARG 16 H ARG 16 8.376 -0.919 -2.131 815 HA ARG 16 HA ARG 16 8.560 1.504 -0.715 816 1HB ARG 16 2HB ARG 16 10.744 0.064 -2.233 817 2HB ARG 16 3HB ARG 16 10.977 1.266 -0.970 818 1HG ARG 16 2HG ARG 16 11.196 -0.523 0.356 819 2HG ARG 16 3HG ARG 16 9.432 -0.531 0.330 820 1HD ARG 16 2HD ARG 16 9.588 -2.619 -0.438 821 2HD ARG 16 3HD ARG 16 10.118 -1.905 -1.961 822 HE ARG 16 HE ARG 16 12.253 -2.629 -1.528 823 1HH1 ARG 16 2HH1 ARG 16 10.315 -2.922 1.350 824 2HH1 ARG 16 1HH1 ARG 16 11.511 -3.826 2.220 825 1HH2 ARG 16 2HH2 ARG 16 13.835 -3.817 -0.393 826 2HH2 ARG 16 1HH2 ARG 16 13.513 -4.333 1.228 827 H ALA 17 H ALA 17 10.013 0.848 -3.905 828 HA ALA 17 HA ALA 17 10.290 2.151 -5.750 829 1HB ALA 17 1HB ALA 17 8.600 3.766 -6.311 830 2HB ALA 17 2HB ALA 17 7.825 2.350 -5.598 831 3HB ALA 17 3HB ALA 17 8.036 3.816 -4.641 832 H ARG 18 H ARG 18 11.323 2.895 -2.898 833 HA ARG 18 HA ARG 18 11.740 5.687 -2.879 834 1HB ARG 18 2HB ARG 18 11.998 4.088 -0.930 835 2HB ARG 18 3HB ARG 18 13.545 3.621 -1.623 836 1HG ARG 18 2HG ARG 18 14.014 5.219 0.043 837 2HG ARG 18 3HG ARG 18 14.202 6.048 -1.502 838 1HD ARG 18 2HD ARG 18 11.842 6.869 -1.230 839 2HD ARG 18 3HD ARG 18 11.881 6.218 0.408 840 HE ARG 18 HE ARG 18 14.067 7.808 0.324 841 1HH1 ARG 18 2HH1 ARG 18 10.711 8.309 -0.455 842 2HH1 ARG 18 1HH1 ARG 18 10.731 9.991 -0.040 843 1HH2 ARG 18 2HH2 ARG 18 14.105 10.020 0.874 844 2HH2 ARG 18 1HH2 ARG 18 12.663 10.964 0.716 845 H GLY 19 H GLY 19 12.435 6.316 -4.940 846 1HA GLY 19 1HA GLY 19 14.924 6.957 -5.495 847 2HA GLY 19 2HA GLY 19 14.985 5.248 -5.901 848 H LEU 20 H LEU 20 11.960 5.865 -6.654 849 HA LEU 20 HA LEU 20 12.611 6.792 -9.375 850 1HB LEU 20 2HB LEU 20 11.031 4.522 -8.381 851 2HB LEU 20 3HB LEU 20 10.279 5.441 -9.685 852 HG LEU 20 HG LEU 20 13.083 4.677 -10.149 853 1HD1 LEU 20 1HD1 LEU 20 12.621 2.374 -10.638 854 2HD1 LEU 20 2HD1 LEU 20 10.928 2.572 -10.187 855 3HD1 LEU 20 3HD1 LEU 20 12.187 2.692 -8.959 856 1HD2 LEU 20 1HD2 LEU 20 10.845 4.017 -11.976 857 2HD2 LEU 20 2HD2 LEU 20 12.440 4.684 -12.327 858 3HD2 LEU 20 3HD2 LEU 20 11.172 5.724 -11.677 859 H CYS 21 H CYS 21 11.769 8.779 -9.884 860 HA CYS 21 HA CYS 21 9.991 10.073 -8.198 861 1HB CYS 21 2HB CYS 21 11.484 11.281 -9.699 862 2HB CYS 21 3HB CYS 21 10.670 10.624 -11.104 863 H TYR 22 H TYR 22 7.782 10.378 -8.342 864 HA TYR 22 HA TYR 22 6.321 8.507 -10.084 865 1HB TYR 22 2HB TYR 22 6.151 8.191 -7.585 866 2HB TYR 22 3HB TYR 22 5.322 9.742 -7.513 867 HD1 TYR 22 HD1 TYR 22 4.969 7.051 -10.058 868 HD2 TYR 22 HD2 TYR 22 3.154 9.173 -6.849 869 HE1 TYR 22 HE1 TYR 22 2.834 5.926 -10.530 870 HE2 TYR 22 HE2 TYR 22 1.014 8.053 -7.311 871 HH TYR 22 HH TYR 22 0.758 5.367 -9.397 872 H THR 23 H THR 23 7.154 11.010 -11.069 873 HA THR 23 HA THR 23 4.540 12.224 -11.592 874 HB THR 23 HB THR 23 7.017 13.774 -10.818 875 HG1 THR 23 HG1 THR 23 4.413 13.850 -9.675 876 1HG2 THR 23 1HG2 THR 23 5.611 15.785 -11.182 877 2HG2 THR 23 2HG2 THR 23 4.369 14.753 -11.892 878 3HG2 THR 23 3HG2 THR 23 5.945 14.901 -12.670 879 H CYS 24 H CYS 24 8.057 12.194 -12.512 880 HA CYS 24 HA CYS 24 7.145 12.652 -15.257 881 1HB CYS 24 2HB CYS 24 9.401 13.484 -15.732 882 2HB CYS 24 3HB CYS 24 8.644 14.403 -14.446 883 H GLY 25 H GLY 25 9.089 10.727 -13.048 884 1HA GLY 25 1HA GLY 25 9.214 8.331 -13.334 885 2HA GLY 25 2HA GLY 25 9.220 8.588 -15.073 886 H SER 26 H SER 26 11.147 10.512 -12.881 887 HA SER 26 HA SER 26 13.556 9.432 -14.154 888 1HB SER 26 2HB SER 26 12.941 11.969 -14.028 889 2HB SER 26 3HB SER 26 13.545 11.851 -12.375 890 HG SER 26 HG SER 26 15.529 11.578 -13.100 891 HA PRO 27 HA PRO 27 14.294 7.199 -10.361 892 1HB PRO 27 2HB PRO 27 16.614 6.053 -11.179 893 2HB PRO 27 3HB PRO 27 15.024 5.477 -11.695 894 1HG PRO 27 2HG PRO 27 16.959 7.245 -13.141 895 2HG PRO 27 3HG PRO 27 15.996 5.893 -13.766 896 1HD PRO 27 2HD PRO 27 15.283 8.480 -14.126 897 2HD PRO 27 3HD PRO 27 14.091 7.176 -13.957 898 H GLY 28 H GLY 28 14.746 8.862 -8.916 899 1HA GLY 28 1HA GLY 28 17.219 9.115 -7.820 900 2HA GLY 28 2HA GLY 28 17.212 10.347 -9.073 901 H HIS 29 H HIS 29 15.161 11.763 -9.024 902 HA HIS 29 HA HIS 29 14.906 12.750 -6.291 903 1HB HIS 29 2HB HIS 29 14.065 14.783 -7.261 904 2HB HIS 29 3HB HIS 29 15.486 14.293 -8.177 905 HD1 HIS 29 HD1 HIS 29 15.206 14.170 -10.641 906 HD2 HIS 29 HD2 HIS 29 11.562 14.068 -8.646 907 HE1 HIS 29 HE1 HIS 29 13.451 14.252 -12.441 908 H TYR 30 H TYR 30 12.675 13.707 -5.752 909 HA TYR 30 HA TYR 30 10.634 11.693 -6.432 910 1HB TYR 30 2HB TYR 30 11.536 12.775 -3.894 911 2HB TYR 30 3HB TYR 30 9.801 12.989 -4.103 912 HD1 TYR 30 HD1 TYR 30 12.313 10.295 -4.784 913 HD2 TYR 30 HD2 TYR 30 8.514 11.329 -3.171 914 HE1 TYR 30 HE1 TYR 30 11.954 7.948 -4.143 915 HE2 TYR 30 HE2 TYR 30 8.145 8.985 -2.523 916 HH TYR 30 HH TYR 30 9.113 6.965 -2.289 917 H GLN 31 H GLN 31 8.338 12.605 -5.982 918 HA GLN 31 HA GLN 31 7.709 14.485 -7.886 919 1HB GLN 31 2HB GLN 31 5.981 13.095 -7.020 920 2HB GLN 31 3HB GLN 31 6.236 13.682 -5.382 921 1HG GLN 31 2HG GLN 31 5.246 15.754 -5.853 922 2HG GLN 31 3HG GLN 31 5.334 15.493 -7.594 923 1HE2 GLN 31 1HE2 GLN 31 3.221 15.743 -5.220 924 2HE2 GLN 31 2HE2 GLN 31 1.993 14.648 -5.746 925 H ALA 32 H ALA 32 8.380 14.993 -4.455 926 HA ALA 32 HA ALA 32 7.695 17.705 -4.306 927 1HB ALA 32 1HB ALA 32 9.869 16.325 -2.741 928 2HB ALA 32 2HB ALA 32 8.978 17.775 -2.280 929 3HB ALA 32 3HB ALA 32 8.150 16.220 -2.363 930 H GLN 33 H GLN 33 10.565 16.104 -5.499 931 HA GLN 33 HA GLN 33 11.806 18.724 -6.002 932 1HB GLN 33 2HB GLN 33 12.899 16.032 -5.394 933 2HB GLN 33 3HB GLN 33 13.812 17.022 -6.523 934 1HG GLN 33 2HG GLN 33 14.631 18.271 -4.890 935 2HG GLN 33 3HG GLN 33 13.027 18.553 -4.214 936 1HE2 GLN 33 1HE2 GLN 33 12.446 17.522 -2.400 937 2HE2 GLN 33 2HE2 GLN 33 13.414 16.349 -1.580 938 H CYS 34 H CYS 34 9.671 17.057 -7.613 939 HA CYS 34 HA CYS 34 11.069 16.338 -9.972 940 1HB CYS 34 2HB CYS 34 8.892 15.330 -9.231 941 2HB CYS 34 3HB CYS 34 8.095 16.840 -9.622 942 HA PRO 35 HA PRO 35 11.484 20.531 -11.444 943 1HB PRO 35 2HB PRO 35 12.435 19.879 -13.902 944 2HB PRO 35 3HB PRO 35 13.422 19.799 -12.438 945 1HG PRO 35 2HG PRO 35 12.002 17.597 -13.886 946 2HG PRO 35 3HG PRO 35 13.632 17.608 -13.187 947 1HD PRO 35 2HD PRO 35 11.518 16.462 -11.940 948 2HD PRO 35 3HD PRO 35 12.854 17.224 -11.051 949 H LYS 36 H LYS 36 9.393 18.118 -12.650 950 HA LYS 36 HA LYS 36 8.201 19.915 -14.631 951 1HB LYS 36 2HB LYS 36 8.345 17.018 -14.274 952 2HB LYS 36 3HB LYS 36 6.725 17.578 -14.667 953 1HG LYS 36 2HG LYS 36 7.652 18.754 -16.635 954 2HG LYS 36 3HG LYS 36 9.233 18.064 -16.260 955 1HD LYS 36 2HD LYS 36 8.338 15.818 -16.532 956 2HD LYS 36 3HD LYS 36 6.731 16.480 -16.844 957 1HE LYS 36 2HE LYS 36 7.431 17.449 -18.890 958 2HE LYS 36 3HE LYS 36 9.132 17.166 -18.523 959 1HZ LYS 36 1HZ LYS 36 8.978 14.965 -19.049 960 2HZ LYS 36 2HZ LYS 36 7.831 15.590 -20.124 961 3HZ LYS 36 3HZ LYS 36 7.330 14.859 -18.683 962 H LYS 37 H LYS 37 7.942 19.422 -11.425 963 HA LYS 37 HA LYS 37 5.019 19.723 -11.357 964 1HB LYS 37 2HB LYS 37 7.000 18.510 -9.566 965 2HB LYS 37 3HB LYS 37 5.827 19.523 -8.736 966 1HG LYS 37 2HG LYS 37 4.753 17.609 -10.712 967 2HG LYS 37 3HG LYS 37 5.434 16.930 -9.231 968 1HD LYS 37 2HD LYS 37 3.430 19.173 -9.202 969 2HD LYS 37 3HD LYS 37 2.946 17.476 -9.215 970 1HE LYS 37 2HE LYS 37 3.333 17.293 -7.033 971 2HE LYS 37 3HE LYS 37 4.970 17.919 -7.224 972 1HZ LYS 37 1HZ LYS 37 2.488 19.387 -6.621 973 2HZ LYS 37 2HZ LYS 37 3.793 20.187 -7.341 974 3HZ LYS 37 3HZ LYS 37 3.982 19.449 -5.830 975 H ARG 38 H ARG 38 4.428 21.090 -9.230 976 HA ARG 38 HA ARG 38 5.853 23.653 -9.523 977 1HB ARG 38 2HB ARG 38 3.792 24.794 -9.087 978 2HB ARG 38 3HB ARG 38 3.491 23.604 -10.346 979 1HG ARG 38 2HG ARG 38 2.717 22.085 -8.412 980 2HG ARG 38 3HG ARG 38 2.618 23.585 -7.487 981 1HD ARG 38 2HD ARG 38 1.181 24.507 -9.326 982 2HD ARG 38 3HD ARG 38 1.152 22.889 -10.025 983 HE ARG 38 HE ARG 38 0.352 22.808 -7.313 984 1HH1 ARG 38 2HH1 ARG 38 -0.759 23.762 -10.472 985 2HH1 ARG 38 1HH1 ARG 38 -2.435 23.528 -10.096 986 1HH2 ARG 38 2HH2 ARG 38 -1.850 22.496 -6.806 987 2HH2 ARG 38 1HH2 ARG 38 -3.054 22.809 -8.010 988 H LYS 39 H LYS 39 4.848 25.045 -7.421 989 HA LYS 39 HA LYS 39 5.789 23.502 -5.092 990 1HB LYS 39 2HB LYS 39 5.925 26.502 -5.361 991 2HB LYS 39 3HB LYS 39 6.752 25.480 -4.191 992 1HG LYS 39 2HG LYS 39 7.288 25.480 -7.154 993 2HG LYS 39 3HG LYS 39 8.240 26.353 -5.950 994 1HD LYS 39 2HD LYS 39 9.119 24.416 -5.048 995 2HD LYS 39 3HD LYS 39 7.781 23.419 -5.622 996 1HE LYS 39 2HE LYS 39 9.560 24.745 -7.614 997 2HE LYS 39 3HE LYS 39 10.144 23.312 -6.770 998 1HZ LYS 39 1HZ LYS 39 9.133 22.517 -8.702 999 2HZ LYS 39 2HZ LYS 39 7.805 23.555 -8.562 1000 3HZ LYS 39 3HZ LYS 39 7.975 22.252 -7.496 1001 H SER 40 H SER 40 5.091 25.137 -3.053 1002 HA SER 40 HA SER 40 2.506 26.225 -3.134 1003 1HB SER 40 2HB SER 40 2.345 23.505 -3.347 1004 2HB SER 40 3HB SER 40 2.237 23.722 -1.600 1005 HG SER 40 HG SER 40 0.179 23.881 -2.376 1006 H GLY 41 H GLY 41 1.544 25.776 -0.630 1007 1HA GLY 41 1HA GLY 41 3.186 25.566 1.536 1008 2HA GLY 41 2HA GLY 41 3.453 27.210 0.975 1009 H ASN 42 H ASN 42 2.602 27.941 2.998 1010 HA ASN 42 HA ASN 42 -0.077 28.729 2.891 1011 1HB ASN 42 2HB ASN 42 -0.779 27.375 5.011 1012 2HB ASN 42 3HB ASN 42 -0.895 26.619 3.425 1013 1HD2 ASN 42 1HD2 ASN 42 0.221 24.810 3.032 1014 2HD2 ASN 42 2HD2 ASN 42 1.327 24.074 4.138 1015 H SER 43 H SER 43 -0.163 30.552 4.020 1016 HA SER 43 HA SER 43 0.676 30.892 6.663 1017 1HB SER 43 2HB SER 43 2.784 31.209 4.672 1018 2HB SER 43 3HB SER 43 2.559 32.661 5.647 1019 HG SER 43 HG SER 43 3.621 30.251 6.337 1020 H ARG 44 H ARG 44 1.202 33.076 3.907 1021 HA ARG 44 HA ARG 44 -1.268 34.435 4.167 1022 1HB ARG 44 2HB ARG 44 0.381 35.105 6.205 1023 2HB ARG 44 3HB ARG 44 0.882 36.286 5.001 1024 1HG ARG 44 2HG ARG 44 -1.069 37.423 5.101 1025 2HG ARG 44 3HG ARG 44 -2.026 35.974 5.416 1026 1HD ARG 44 2HD ARG 44 -1.810 36.163 7.654 1027 2HD ARG 44 3HD ARG 44 -0.146 36.736 7.548 1028 HE ARG 44 HE ARG 44 -0.921 38.893 7.580 1029 1HH1 ARG 44 2HH1 ARG 44 -3.570 36.728 6.937 1030 2HH1 ARG 44 1HH1 ARG 44 -4.782 37.957 7.090 1031 1HH2 ARG 44 2HH2 ARG 44 -2.507 40.519 7.785 1032 2HH2 ARG 44 1HH2 ARG 44 -4.176 40.114 7.571 1033 H GLU 45 H GLU 45 -1.634 35.749 2.438 1034 HA GLU 45 HA GLU 45 -1.329 36.732 0.409 1035 1HB GLU 45 2HB GLU 45 1.588 36.974 1.139 1036 2HB GLU 45 3HB GLU 45 0.684 37.957 -0.005 1037 1HG GLU 45 2HG GLU 45 0.431 37.930 2.989 1038 2HG GLU 45 3HG GLU 45 1.017 39.241 1.967 1039 H ARG 46 H ARG 46 -1.649 35.283 -1.160 1040 HA ARG 46 HA ARG 46 0.336 33.206 -1.659 1041 1HB ARG 46 2HB ARG 46 -2.244 32.882 -1.586 1042 2HB ARG 46 3HB ARG 46 -2.208 33.546 -3.213 1043 1HG ARG 46 2HG ARG 46 -0.926 31.751 -4.032 1044 2HG ARG 46 3HG ARG 46 -0.529 31.195 -2.404 1045 1HD ARG 46 2HD ARG 46 -3.243 31.142 -3.718 1046 2HD ARG 46 3HD ARG 46 -2.208 29.753 -3.388 1047 HE ARG 46 HE ARG 46 -2.590 30.900 -0.946 1048 1HH1 ARG 46 2HH1 ARG 46 -4.694 29.727 -3.461 1049 2HH1 ARG 46 1HH1 ARG 46 -5.962 29.278 -2.370 1050 1HH2 ARG 46 2HH2 ARG 46 -4.254 30.311 0.500 1051 2HH2 ARG 46 1HH2 ARG 46 -5.711 29.611 -0.118 1052 H CYS 47 H CYS 47 0.797 32.674 -4.101 1053 HA CYS 47 HA CYS 47 1.175 35.241 -5.465 1054 1HB CYS 47 2HB CYS 47 3.315 34.378 -4.625 1055 2HB CYS 47 3HB CYS 47 3.051 32.853 -5.446 1056 H GLN 48 H GLN 48 -0.004 35.296 -7.254 1057 HA GLN 48 HA GLN 48 -1.026 32.829 -8.436 1058 1HB GLN 48 2HB GLN 48 -2.173 35.312 -7.958 1059 2HB GLN 48 3HB GLN 48 -1.896 35.305 -9.694 1060 1HG GLN 48 2HG GLN 48 -3.246 33.404 -10.007 1061 2HG GLN 48 3HG GLN 48 -3.275 33.047 -8.281 1062 1HE2 GLN 48 1HE2 GLN 48 -5.639 32.988 -9.062 1063 2HE2 GLN 48 2HE2 GLN 48 -6.528 34.453 -8.843 1064 H LEU 49 H LEU 49 1.759 33.571 -8.777 1065 HA LEU 49 HA LEU 49 1.794 33.783 -11.712 1066 1HB LEU 49 2HB LEU 49 2.874 35.626 -9.882 1067 2HB LEU 49 3HB LEU 49 4.241 34.748 -10.566 1068 HG LEU 49 HG LEU 49 2.210 35.849 -12.439 1069 1HD1 LEU 49 1HD1 LEU 49 2.780 38.033 -12.228 1070 2HD1 LEU 49 2HD1 LEU 49 4.401 37.669 -11.634 1071 3HD1 LEU 49 3HD1 LEU 49 3.015 37.545 -10.549 1072 1HD2 LEU 49 1HD2 LEU 49 5.180 35.388 -12.449 1073 2HD2 LEU 49 2HD2 LEU 49 4.353 36.299 -13.712 1074 3HD2 LEU 49 3HD2 LEU 49 3.947 34.603 -13.436 1075 H CYS 50 H CYS 50 3.319 32.488 -8.730 1076 HA CYS 50 HA CYS 50 4.517 30.452 -10.454 1077 1HB CYS 50 2HB CYS 50 6.580 30.490 -9.323 1078 2HB CYS 50 3HB CYS 50 6.213 32.175 -9.631 1079 H ASN 51 H ASN 51 2.110 30.972 -8.603 1080 HA ASN 51 HA ASN 51 0.811 29.808 -7.144 1081 1HB ASN 51 2HB ASN 51 2.091 27.907 -8.731 1082 2HB ASN 51 3HB ASN 51 2.319 27.322 -7.085 1083 1HD2 ASN 51 1HD2 ASN 51 0.464 26.934 -5.792 1084 2HD2 ASN 51 2HD2 ASN 51 -1.062 26.585 -6.526 1085 H GLY 52 H GLY 52 3.453 31.105 -6.312 1086 1HA GLY 52 1HA GLY 52 4.548 29.675 -4.151 1087 2HA GLY 52 2HA GLY 52 4.634 31.417 -4.370 1088 H MET 53 H MET 53 4.408 30.255 -1.857 1089 HA MET 53 HA MET 53 1.743 31.208 -1.065 1090 1HB MET 53 2HB MET 53 2.984 28.585 -0.546 1091 2HB MET 53 3HB MET 53 2.264 29.358 0.862 1092 1HG MET 53 2HG MET 53 0.757 29.066 -1.711 1093 2HG MET 53 3HG MET 53 0.816 27.772 -0.516 1094 1HE MET 53 1HE MET 53 -2.681 28.813 0.476 1095 2HE MET 53 2HE MET 53 -1.912 28.229 -1.000 1096 3HE MET 53 3HE MET 53 -1.496 27.509 0.556 1097 H GLY 54 H GLY 54 2.582 33.195 -0.418 1098 1HA GLY 54 1HA GLY 54 3.186 33.724 2.126 1099 2HA GLY 54 2HA GLY 54 4.763 33.254 1.508 1100 H HIS 55 H HIS 55 4.763 34.364 -0.997 1101 HA HIS 55 HA HIS 55 4.859 37.214 -0.333 1102 1HB HIS 55 2HB HIS 55 6.282 37.411 -2.351 1103 2HB HIS 55 3HB HIS 55 6.929 36.265 -1.180 1104 HD1 HIS 55 HD1 HIS 55 6.542 33.678 -1.781 1105 HD2 HIS 55 HD2 HIS 55 5.872 36.393 -4.854 1106 HE1 HIS 55 HE1 HIS 55 6.556 32.318 -3.896 1107 H ASN 56 H ASN 56 4.683 38.471 -2.680 1108 HA ASN 56 HA ASN 56 1.992 37.779 -3.663 1109 1HB ASN 56 2HB ASN 56 3.271 40.454 -3.130 1110 2HB ASN 56 3HB ASN 56 1.877 40.296 -4.193 1111 1HD2 ASN 56 1HD2 ASN 56 2.796 40.971 -1.135 1112 2HD2 ASN 56 2HD2 ASN 56 1.342 40.570 -0.291 1113 H ALA 57 H ALA 57 1.536 38.129 -5.873 1114 HA ALA 57 HA ALA 57 3.502 37.345 -7.671 1115 1HB ALA 57 1HB ALA 57 0.750 37.960 -7.773 1116 2HB ALA 57 2HB ALA 57 1.536 38.876 -9.060 1117 3HB ALA 57 3HB ALA 57 1.727 37.125 -8.981 1118 H LYS 58 H LYS 58 2.372 40.590 -6.838 1119 HA LYS 58 HA LYS 58 3.788 42.013 -8.794 1120 1HB LYS 58 2HB LYS 58 2.944 42.843 -6.013 1121 2HB LYS 58 3HB LYS 58 3.561 43.952 -7.232 1122 1HG LYS 58 2HG LYS 58 1.663 43.231 -8.707 1123 2HG LYS 58 3HG LYS 58 1.009 42.362 -7.316 1124 1HD LYS 58 2HD LYS 58 -0.082 44.466 -7.366 1125 2HD LYS 58 3HD LYS 58 1.103 44.551 -6.060 1126 1HE LYS 58 2HE LYS 58 2.585 45.451 -8.130 1127 2HE LYS 58 3HE LYS 58 0.985 46.008 -8.620 1128 1HZ LYS 58 1HZ LYS 58 2.686 47.188 -6.784 1129 2HZ LYS 58 2HZ LYS 58 1.407 46.551 -5.878 1130 3HZ LYS 58 3HZ LYS 58 1.093 47.633 -7.140 1131 H GLN 59 H GLN 59 4.834 40.491 -5.877 1132 HA GLN 59 HA GLN 59 7.499 41.705 -6.207 1133 1HB GLN 59 2HB GLN 59 6.009 41.937 -3.992 1134 2HB GLN 59 3HB GLN 59 6.780 40.397 -3.638 1135 1HG GLN 59 2HG GLN 59 8.946 41.362 -3.742 1136 2HG GLN 59 3HG GLN 59 8.309 42.870 -4.399 1137 1HE2 GLN 59 1HE2 GLN 59 9.685 41.754 -1.785 1138 2HE2 GLN 59 2HE2 GLN 59 8.869 42.646 -0.550 1139 H CYS 60 H CYS 60 6.222 39.205 -7.492 1140 HA CYS 60 HA CYS 60 7.668 37.074 -6.239 1141 1HB CYS 60 2HB CYS 60 5.500 36.607 -7.243 1142 2HB CYS 60 3HB CYS 60 6.051 37.181 -8.805 1143 H ARG 61 H ARG 61 9.822 37.270 -6.434 1144 HA ARG 61 HA ARG 61 11.912 37.496 -7.309 1145 1HB ARG 61 2HB ARG 61 10.522 36.470 -9.791 1146 2HB ARG 61 3HB ARG 61 12.262 36.506 -9.542 1147 1HG ARG 61 2HG ARG 61 10.643 35.102 -7.504 1148 2HG ARG 61 3HG ARG 61 10.788 34.343 -9.090 1149 1HD ARG 61 2HD ARG 61 13.113 34.164 -8.921 1150 2HD ARG 61 3HD ARG 61 13.198 35.351 -7.620 1151 HE ARG 61 HE ARG 61 12.729 33.690 -6.106 1152 1HH1 ARG 61 2HH1 ARG 61 12.128 32.533 -9.333 1153 2HH1 ARG 61 1HH1 ARG 61 11.914 30.885 -8.843 1154 1HH2 ARG 61 2HH2 ARG 61 12.448 31.524 -5.447 1155 2HH2 ARG 61 1HH2 ARG 61 12.094 30.312 -6.633 1156 H LYS 62 H LYS 62 13.014 38.299 -9.602 1157 HA LYS 62 HA LYS 62 11.687 40.777 -10.423 1158 1HB LYS 62 2HB LYS 62 13.561 42.154 -9.955 1159 2HB LYS 62 3HB LYS 62 13.268 41.219 -8.495 1160 1HG LYS 62 2HG LYS 62 15.487 40.892 -8.593 1161 2HG LYS 62 3HG LYS 62 15.038 39.613 -9.723 1162 1HD LYS 62 2HD LYS 62 15.632 40.877 -11.583 1163 2HD LYS 62 3HD LYS 62 15.533 42.402 -10.699 1164 1HE LYS 62 2HE LYS 62 17.582 42.064 -9.647 1165 2HE LYS 62 3HE LYS 62 17.557 40.327 -9.944 1166 1HZ LYS 62 1HZ LYS 62 17.624 41.112 -12.420 1167 2HZ LYS 62 2HZ LYS 62 19.046 41.009 -11.510 1168 3HZ LYS 62 3HZ LYS 62 18.305 42.510 -11.751 1169 H ARG 63 H ARG 63 12.944 41.841 -12.253 1170 HA ARG 63 HA ARG 63 14.818 40.455 -13.794 1171 1HB ARG 63 2HB ARG 63 12.413 39.154 -13.925 1172 2HB ARG 63 3HB ARG 63 12.314 40.225 -15.317 1173 1HG ARG 63 2HG ARG 63 14.514 38.245 -14.763 1174 2HG ARG 63 3HG ARG 63 13.210 38.055 -15.937 1175 1HD ARG 63 2HD ARG 63 14.753 38.883 -17.362 1176 2HD ARG 63 3HD ARG 63 14.193 40.428 -16.723 1177 HE ARG 63 HE ARG 63 16.225 39.605 -15.051 1178 1HH1 ARG 63 2HH1 ARG 63 15.863 40.356 -18.431 1179 2HH1 ARG 63 1HH1 ARG 63 17.496 40.902 -18.620 1180 1HH2 ARG 63 2HH2 ARG 63 18.378 40.320 -15.286 1181 2HH2 ARG 63 1HH2 ARG 63 18.926 40.880 -16.829 1182 H ASP 64 H ASP 64 15.751 42.276 -14.482 1183 HA ASP 64 HA ASP 64 16.098 44.221 -15.609 1184 1HB ASP 64 2HB ASP 64 14.858 42.900 -17.400 1185 2HB ASP 64 3HB ASP 64 13.416 43.792 -16.924 Start of MODEL 15 1 1H5* C 160 1H5* C 160 25.671 17.774 -13.527 2 2H5* C 160 2H5* C 160 24.290 18.425 -12.643 3 H4* C 160 H4* C 160 25.617 17.499 -10.981 4 H3* C 160 H3* C 160 26.109 20.462 -11.144 5 H2* C 160 H2* C 160 27.560 20.316 -9.269 6 2HO* C 160 2HO* C 160 27.558 18.295 -8.104 7 H1* C 160 H1* C 160 28.969 18.126 -10.300 8 1H4 C 160 1H4 C 160 32.314 23.310 -12.008 9 2H4 C 160 2H4 C 160 31.387 23.372 -13.491 10 H5 C 160 H5 C 160 29.544 21.969 -13.950 11 H6 C 160 H6 C 160 28.123 20.141 -13.091 12 1H5* U 161 1H5* U 161 25.307 19.755 -7.129 13 2H5* U 161 2H5* U 161 23.954 20.744 -6.581 14 H4* U 161 H4* U 161 25.592 21.161 -4.999 15 H3* U 161 H3* U 161 25.601 23.354 -7.056 16 H2* U 161 H2* U 161 27.276 24.501 -5.816 17 2HO* U 161 2HO* U 161 27.858 23.088 -3.758 18 H1* U 161 H1* U 161 28.879 22.222 -5.544 19 H3 U 161 H3 U 161 31.177 24.813 -8.481 20 H5 U 161 H5 U 161 28.092 23.156 -10.778 21 H6 U 161 H6 U 161 27.156 22.261 -8.695 22 1H5* G 162 1H5* G 162 25.353 24.679 -3.164 23 2H5* G 162 2H5* G 162 24.162 25.920 -2.772 24 H4* G 162 H4* G 162 26.201 26.627 -1.821 25 H3* G 162 H3* G 162 25.446 28.143 -4.293 26 H2* G 162 H2* G 162 27.372 29.528 -4.069 27 2HO* G 162 2HO* G 162 28.484 29.452 -2.091 28 H1* G 162 H1* G 162 29.109 27.363 -3.784 29 H8 G 162 H8 G 162 26.542 26.329 -6.233 30 H1 G 162 H1 G 162 31.030 30.218 -8.804 31 1H2 G 162 1H2 G 162 32.167 31.048 -7.298 32 2H2 G 162 2H2 G 162 31.939 30.737 -5.592 33 1H5* C 163 1H5* C 163 26.548 30.679 -1.433 34 2H5* C 163 2H5* C 163 25.483 32.023 -1.015 35 H4* C 163 H4* C 163 27.558 33.015 -1.395 36 H3* C 163 H3* C 163 25.749 33.335 -3.768 37 H2* C 163 H2* C 163 27.409 34.613 -4.887 38 2HO* C 163 2HO* C 163 29.042 35.500 -3.632 39 H1* C 163 H1* C 163 29.454 32.775 -4.312 40 1H4 C 163 1H4 C 163 27.492 31.192 -10.179 41 2H4 C 163 2H4 C 163 26.161 30.297 -9.479 42 H5 C 163 H5 C 163 25.663 30.268 -7.171 43 H6 C 163 H6 C 163 26.327 31.098 -4.942 44 1H5* C 164 1H5* C 164 27.266 37.036 -2.943 45 2H5* C 164 2H5* C 164 26.041 38.282 -2.705 46 H4* C 164 H4* C 164 27.470 39.222 -4.269 47 H3* C 164 H3* C 164 25.086 38.022 -5.651 48 H2* C 164 H2* C 164 25.889 38.828 -7.740 49 2HO* C 164 2HO* C 164 28.234 39.938 -7.016 50 H1* C 164 H1* C 164 28.474 37.834 -7.329 51 1H4 C 164 1H4 C 164 25.575 33.199 -10.617 52 2H4 C 164 2H4 C 164 24.776 32.664 -9.155 53 H5 C 164 H5 C 164 24.934 33.784 -7.082 54 H6 C 164 H6 C 164 25.907 35.715 -5.890 55 1H5* C 165 1H5* C 165 25.439 41.897 -6.997 56 2H5* C 165 2H5* C 165 23.919 42.772 -7.184 57 H4* C 165 H4* C 165 25.026 42.748 -9.293 58 H3* C 165 H3* C 165 22.619 40.942 -9.153 59 H2* C 165 H2* C 165 22.839 40.510 -11.480 60 2HO* C 165 2HO* C 165 25.024 41.885 -12.144 61 H1* C 165 H1* C 165 25.613 40.034 -11.272 62 1H4 C 165 1H4 C 165 22.921 34.238 -11.218 63 2H4 C 165 2H4 C 165 22.649 34.403 -9.498 64 H5 C 165 H5 C 165 23.092 36.376 -8.279 65 H6 C 165 H6 C 165 23.913 38.702 -8.412 66 1H5* U 166 1H5* U 166 22.271 43.548 -12.309 67 2H5* U 166 2H5* U 166 20.713 44.350 -12.503 68 H4* U 166 H4* U 166 21.292 43.362 -14.588 69 H3* U 166 H3* U 166 19.069 41.968 -13.128 70 H2* U 166 H2* U 166 18.784 40.479 -14.955 71 2HO* U 166 2HO* U 166 19.260 41.437 -16.843 72 H1* U 166 H1* U 166 21.541 39.951 -15.161 73 H3 U 166 H3 U 166 19.397 36.148 -13.705 74 H5 U 166 H5 U 166 20.216 38.375 -10.255 75 H6 U 166 H6 U 166 20.870 40.225 -11.724 76 1H5* C 167 1H5* C 167 17.141 43.024 -17.062 77 2H5* C 167 2H5* C 167 15.597 43.717 -16.566 78 H4* C 167 H4* C 167 15.184 41.978 -18.154 79 H3* C 167 H3* C 167 14.376 41.323 -15.330 80 H2* C 167 H2* C 167 13.391 39.300 -16.103 81 2HO* C 167 2HO* C 167 12.635 40.329 -18.044 82 H1* C 167 H1* C 167 15.656 38.602 -17.616 83 1H4 C 167 1H4 C 167 16.256 35.502 -12.049 84 2H4 C 167 2H4 C 167 17.100 36.894 -11.406 85 H5 C 167 H5 C 167 17.344 38.936 -12.566 86 H6 C 167 H6 C 167 16.831 40.160 -14.648 87 1H5* A 168 1H5* A 168 10.836 42.404 -17.647 88 2H5* A 168 2H5* A 168 10.357 44.100 -17.567 89 H4* A 168 H4* A 168 9.022 41.694 -16.364 90 H3* A 168 H3* A 168 8.166 43.917 -18.216 91 H2* A 168 H2* A 168 5.920 43.546 -17.547 92 2HO* A 168 2HO* A 168 6.357 41.531 -15.742 93 H1* A 168 H1* A 168 6.667 43.363 -14.801 94 H8 A 168 H8 A 168 6.654 45.670 -17.813 95 1H6 A 168 1H6 A 168 4.716 50.106 -13.875 96 2H6 A 168 2H6 A 168 5.020 49.740 -15.559 97 H2 A 168 H2 A 168 5.705 46.479 -11.506 98 1H5* U 169 1H5* U 169 9.538 44.311 -19.787 99 2H5* U 169 2H5* U 169 9.605 44.319 -21.549 100 H4* U 169 H4* U 169 11.669 43.093 -19.705 101 H3* U 169 H3* U 169 11.511 45.769 -21.026 102 H2* U 169 H2* U 169 13.823 45.717 -21.573 103 2HO* U 169 2HO* U 169 14.765 43.459 -20.755 104 H1* U 169 H1* U 169 13.740 43.221 -22.741 105 H3 U 169 H3 U 169 13.878 46.460 -26.022 106 H5 U 169 H5 U 169 9.818 45.746 -25.287 107 H6 U 169 H6 U 169 10.504 44.417 -23.344 108 1H5* C 170 1H5* C 170 10.367 46.037 -18.126 109 2H5* C 170 2H5* C 170 9.984 47.750 -17.964 110 H4* C 170 H4* C 170 9.077 46.451 -16.114 111 H3* C 170 H3* C 170 11.217 48.469 -15.467 112 H2* C 170 H2* C 170 10.886 48.055 -13.160 113 2HO* C 170 2HO* C 170 8.628 47.925 -13.269 114 H1* C 170 H1* C 170 10.790 45.235 -13.561 115 1H4 C 170 1H4 C 170 16.664 46.218 -11.294 116 2H4 C 170 2H4 C 170 17.136 46.952 -12.810 117 H5 C 170 H5 C 170 15.649 47.341 -14.603 118 H6 C 170 H6 C 170 13.318 47.120 -15.389 119 1H5* C 171 1H5* C 171 11.008 52.218 -14.591 120 2H5* C 171 2H5* C 171 11.004 50.458 -14.482 121 H4* C 171 H4* C 171 8.702 51.864 -13.242 122 H3* C 171 H3* C 171 11.511 52.291 -12.300 123 H2* C 171 H2* C 171 10.853 52.006 -10.035 124 2HO* C 171 2HO* C 171 8.177 51.554 -10.907 125 H1* C 171 H1* C 171 9.441 49.651 -10.531 126 1H4 C 171 1H4 C 171 15.267 47.642 -8.868 127 2H4 C 171 2H4 C 171 15.824 47.934 -10.501 128 H5 C 171 H5 C 171 14.504 48.936 -12.182 129 H6 C 171 H6 C 171 12.301 49.916 -12.717 130 1H5* G 172 1H5* G 172 9.231 54.559 -9.588 131 2H5* G 172 2H5* G 172 9.633 56.246 -9.909 132 H4* G 172 H4* G 172 9.736 56.091 -7.597 133 H3* G 172 H3* G 172 12.478 55.918 -8.792 134 H2* G 172 H2* G 172 13.449 55.746 -6.622 135 2HO* G 172 2HO* G 172 12.131 56.257 -4.851 136 H1* G 172 H1* G 172 11.734 53.693 -5.828 137 H8 G 172 H8 G 172 12.714 53.454 -9.456 138 H1 G 172 H1 G 172 16.900 50.650 -5.394 139 1H2 G 172 1H2 G 172 16.393 51.118 -3.451 140 2H2 G 172 2H2 G 172 15.036 52.121 -2.991 141 1H5* U 173 1H5* U 173 12.741 58.464 -5.782 142 2H5* U 173 2H5* U 173 13.351 60.082 -6.128 143 H4* U 173 H4* U 173 14.695 59.388 -4.383 144 H3* U 173 H3* U 173 16.123 58.857 -6.979 145 H2* U 173 H2* U 173 18.034 58.144 -5.760 146 2HO* U 173 2HO* U 173 17.489 58.326 -3.254 147 H1* U 173 H1* U 173 16.526 56.495 -4.053 148 H3 U 173 H3 U 173 18.854 53.521 -6.563 149 H5 U 173 H5 U 173 15.868 54.910 -9.151 150 H6 U 173 H6 U 173 15.274 56.549 -7.427 151 1H5* C 174 1H5* C 174 18.652 61.024 -4.545 152 2H5* C 174 2H5* C 174 19.366 62.442 -5.315 153 H4* C 174 H4* C 174 21.191 61.306 -4.436 154 H3* C 174 H3* C 174 20.896 60.742 -7.366 155 H2* C 174 H2* C 174 22.846 59.381 -7.331 156 2HO* C 174 2HO* C 174 24.084 59.404 -5.328 157 H1* C 174 H1* C 174 21.979 57.968 -5.046 158 1H4 C 174 1H4 C 174 20.340 54.183 -9.912 159 2H4 C 174 2H4 C 174 18.967 55.213 -10.248 160 H5 C 174 H5 C 174 18.533 57.239 -9.116 161 H6 C 174 H6 C 174 19.317 58.792 -7.364 162 1H5* U 175 1H5* U 175 23.330 65.293 -5.802 163 2H5* U 175 2H5* U 175 22.011 65.938 -6.779 164 H4* U 175 H4* U 175 23.449 66.858 -8.358 165 H3* U 175 H3* U 175 25.511 64.867 -7.432 166 H2* U 175 H2* U 175 27.222 66.309 -8.231 167 2HO* U 175 2HO* U 175 25.381 68.263 -9.076 168 H1* U 175 H1* U 175 26.034 68.587 -7.041 169 H3 U 175 H3 U 175 29.851 68.162 -4.649 170 H5 U 175 H5 U 175 27.494 64.962 -3.330 171 H6 U 175 H6 U 175 25.884 65.554 -5.082 172 1H5* C 176 1H5* C 176 25.264 61.898 -9.015 173 2H5* C 176 2H5* C 176 25.830 62.250 -7.382 174 H4* C 176 H4* C 176 28.094 61.420 -8.056 175 H3* C 176 H3* C 176 26.725 60.964 -10.672 176 H2* C 176 H2* C 176 27.820 58.879 -10.971 177 2HO* C 176 2HO* C 176 29.676 58.535 -9.792 178 H1* C 176 H1* C 176 27.185 57.923 -8.445 179 1H4 C 176 1H4 C 176 22.402 56.008 -12.246 180 2H4 C 176 2H4 C 176 21.538 57.471 -11.830 181 H5 C 176 H5 C 176 22.460 59.224 -10.544 182 H6 C 176 H6 C 176 24.458 60.011 -9.325 183 1H5* G 177 1H5* G 177 30.777 60.096 -11.439 184 2H5* G 177 2H5* G 177 31.369 61.165 -12.710 185 H4* G 177 H4* G 177 32.019 58.987 -13.325 186 H3* G 177 H3* G 177 29.714 60.040 -14.919 187 H2* G 177 H2* G 177 29.636 58.040 -16.213 188 2HO* G 177 2HO* G 177 31.413 56.433 -15.297 189 H1* G 177 H1* G 177 29.615 56.384 -13.966 190 H8 G 177 H8 G 177 27.596 59.344 -13.080 191 H1 G 177 H1 G 177 24.389 55.176 -16.851 192 1H2 G 177 1H2 G 177 25.705 53.783 -17.613 193 2H2 G 177 2H2 G 177 27.422 53.750 -17.279 194 1H5* C 178 1H5* C 178 32.592 58.663 -17.663 195 2H5* C 178 2H5* C 178 32.797 59.703 -19.072 196 H4* C 178 H4* C 178 32.215 57.490 -19.797 197 H3* C 178 H3* C 178 30.119 59.599 -20.217 198 H2* C 178 H2* C 178 28.732 58.024 -21.325 199 2HO* C 178 2HO* C 178 29.838 56.455 -22.348 200 H1* C 178 H1* C 178 29.131 56.055 -19.336 201 1H4 C 178 1H4 C 178 23.507 58.754 -17.938 202 2H4 C 178 2H4 C 178 24.354 60.013 -17.068 203 H5 C 178 H5 C 178 26.705 60.229 -17.024 204 H6 C 178 H6 C 178 28.844 59.279 -17.812 205 1H5* U 179 1H5* U 179 30.960 58.142 -24.406 206 2H5* U 179 2H5* U 179 30.754 59.564 -25.428 207 H4* U 179 H4* U 179 29.264 57.671 -26.017 208 H3* U 179 H3* U 179 28.092 60.336 -25.257 209 H2* U 179 H2* U 179 25.928 59.527 -25.808 210 2HO* U 179 2HO* U 179 25.812 57.704 -27.115 211 H1* U 179 H1* U 179 26.260 57.137 -24.384 212 H3 U 179 H3 U 179 23.201 59.847 -22.235 213 H5 U 179 H5 U 179 26.950 60.884 -20.685 214 H6 U 179 H6 U 179 27.951 59.509 -22.451 215 1H5* U 180 1H5* U 180 26.578 59.317 -28.770 216 2H5* U 180 2H5* U 180 26.459 60.519 -30.054 217 H4* U 180 H4* U 180 24.275 59.674 -29.641 218 H3* U 180 H3* U 180 24.740 62.480 -28.696 219 H2* U 180 H2* U 180 22.495 62.650 -27.956 220 2HO* U 180 2HO* U 180 21.746 61.450 -29.804 221 H1* U 180 H1* U 180 22.583 60.113 -26.687 222 H3 U 180 H3 U 180 22.093 62.907 -23.162 223 H5 U 180 H5 U 180 26.028 63.584 -24.424 224 H6 U 180 H6 U 180 25.555 62.138 -26.347 225 1H5* A 181 1H5* A 181 22.887 63.696 -33.042 226 2H5* A 181 2H5* A 181 23.581 65.317 -33.071 227 H4* A 181 H4* A 181 21.068 65.163 -32.857 228 H3* A 181 H3* A 181 22.769 66.773 -30.969 229 H2* A 181 H2* A 181 20.805 67.595 -29.914 230 2HO* A 181 2HO* A 181 18.745 66.770 -31.015 231 H1* A 181 H1* A 181 19.644 65.057 -29.689 232 H8 A 181 H8 A 181 23.344 64.946 -29.096 233 1H6 A 181 1H6 A 181 22.078 66.184 -23.111 234 2H6 A 181 2H6 A 181 23.347 65.728 -24.227 235 H2 A 181 H2 A 181 18.324 66.625 -25.446 236 1H5* U 182 1H5* U 182 20.038 70.110 -34.889 237 2H5* U 182 2H5* U 182 21.742 69.661 -34.941 238 H4* U 182 H4* U 182 21.893 71.981 -33.541 239 H3* U 182 H3* U 182 19.381 72.169 -35.163 240 H2* U 182 H2* U 182 20.242 73.917 -36.336 241 2HO* U 182 2HO* U 182 20.155 75.646 -34.995 242 H1* U 182 H1* U 182 22.762 73.733 -34.623 243 H3 U 182 H3 U 182 24.376 76.720 -37.664 244 H5 U 182 H5 U 182 23.647 73.247 -39.887 245 H6 U 182 H6 U 182 22.559 72.319 -37.895 246 1H5* U 183 1H5* U 183 18.265 72.987 -30.576 247 2H5* U 183 2H5* U 183 17.970 74.050 -31.951 248 H4* U 183 H4* U 183 18.492 75.924 -30.121 249 H3* U 183 H3* U 183 17.595 73.543 -28.490 250 H2* U 183 H2* U 183 16.389 74.983 -27.107 251 2HO* U 183 2HO* U 183 17.300 76.962 -26.744 252 H1* U 183 H1* U 183 15.884 76.780 -29.385 253 H3 U 183 H3 U 183 12.823 72.600 -28.116 254 H5 U 183 H5 U 183 11.390 76.520 -28.473 255 H6 U 183 H6 U 183 13.691 77.210 -28.965 256 1H5* C 184 1H5* C 184 18.293 73.552 -24.195 257 2H5* C 184 2H5* C 184 17.596 75.125 -23.806 258 H4* C 184 H4* C 184 20.508 74.326 -23.689 259 H3* C 184 H3* C 184 18.451 74.975 -21.575 260 H2* C 184 H2* C 184 20.117 75.879 -20.249 261 2HO* C 184 2HO* C 184 21.952 74.423 -21.922 262 H1* C 184 H1* C 184 21.722 76.491 -22.676 263 1H4 C 184 1H4 C 184 21.332 82.053 -19.544 264 2H4 C 184 2H4 C 184 19.685 82.225 -20.109 265 H5 C 184 H5 C 184 18.525 80.556 -21.311 266 H6 C 184 H6 C 184 18.660 78.287 -22.276 267 1H5* G 185 1H5* G 185 21.715 72.355 -19.774 268 2H5* G 185 2H5* G 185 21.892 70.796 -20.580 269 H4* G 185 H4* G 185 20.674 70.172 -18.151 270 H3* G 185 H3* G 185 22.486 72.520 -17.778 271 H2* G 185 H2* G 185 23.477 71.527 -15.852 272 2HO* G 185 2HO* G 185 22.251 69.108 -15.881 273 H1* G 185 H1* G 185 23.983 69.108 -17.148 274 H8 G 185 H8 G 185 24.808 71.181 -19.895 275 H1 G 185 H1 G 185 29.012 72.184 -15.079 276 1H2 G 185 1H2 G 185 28.252 71.406 -13.327 277 2H2 G 185 2H2 G 185 26.705 70.601 -13.185 278 1H5* G 186 1H5* G 186 19.748 73.750 -12.636 279 2H5* G 186 2H5* G 186 21.411 74.061 -13.131 280 H4* G 186 H4* G 186 21.934 71.671 -12.461 281 H3* G 186 H3* G 186 19.089 71.786 -11.518 282 H2* G 186 H2* G 186 19.657 70.509 -9.588 283 2HO* G 186 2HO* G 186 21.605 69.401 -9.627 284 H1* G 186 H1* G 186 21.816 72.147 -8.926 285 H8 G 186 H8 G 186 19.688 74.778 -9.928 286 H1 G 186 H1 G 186 17.183 71.843 -4.732 287 1H2 G 186 1H2 G 186 18.100 70.015 -4.466 288 2H2 G 186 2H2 G 186 19.360 69.373 -5.496 289 1H5* G 187 1H5* G 187 17.042 67.393 -13.381 290 2H5* G 187 2H5* G 187 18.331 67.117 -14.553 291 H4* G 187 H4* G 187 15.718 68.542 -14.901 292 H3* G 187 H3* G 187 17.090 66.221 -16.175 293 H2* G 187 H2* G 187 16.171 66.740 -18.311 294 2HO* G 187 2HO* G 187 14.745 68.779 -18.214 295 H1* G 187 H1* G 187 16.994 69.404 -18.211 296 H8 G 187 H8 G 187 19.704 67.510 -16.601 297 H1 G 187 H1 G 187 19.794 66.944 -23.048 298 1H2 G 187 1H2 G 187 18.030 67.674 -23.828 299 2H2 G 187 2H2 G 187 16.721 68.340 -22.877 300 1H5* G 188 1H5* G 188 13.465 66.287 -18.225 301 2H5* G 188 2H5* G 188 12.604 64.872 -17.620 302 H4* G 188 H4* G 188 12.328 64.715 -19.911 303 H3* G 188 H3* G 188 14.627 62.975 -19.061 304 H2* G 188 H2* G 188 14.853 62.196 -21.302 305 2HO* G 188 2HO* G 188 13.135 62.590 -22.714 306 H1* G 188 H1* G 188 14.840 64.778 -22.373 307 H8 G 188 H8 G 188 16.738 65.059 -19.242 308 H1 G 188 H1 G 188 20.184 62.277 -23.960 309 1H2 G 188 1H2 G 188 18.935 61.777 -25.523 310 2H2 G 188 2H2 G 188 17.211 62.069 -25.551 311 1H5* A 189 1H5* A 189 12.250 59.985 -21.421 312 2H5* A 189 2H5* A 189 12.487 58.539 -20.440 313 H4* A 189 H4* A 189 13.307 58.394 -22.807 314 H3* A 189 H3* A 189 15.126 57.828 -20.475 315 H2* A 189 H2* A 189 16.813 57.128 -21.993 316 2HO* A 189 2HO* A 189 15.994 57.220 -24.355 317 H1* A 189 H1* A 189 16.468 59.367 -23.661 318 H8 A 189 H8 A 189 16.254 60.288 -20.040 319 1H6 A 189 1H6 A 189 22.460 60.937 -20.173 320 2H6 A 189 2H6 A 189 21.028 61.201 -19.205 321 H2 A 189 H2 A 189 21.172 59.098 -24.008 322 1H5* G 190 1H5* G 190 15.214 54.170 -23.178 323 2H5* G 190 2H5* G 190 15.098 52.845 -22.020 324 H4* G 190 H4* G 190 16.947 52.475 -23.525 325 H3* G 190 H3* G 190 17.636 53.020 -20.653 326 H2* G 190 H2* G 190 19.937 52.618 -21.129 327 2HO* G 190 2HO* G 190 20.405 51.837 -23.318 328 H1* G 190 H1* G 190 19.959 54.332 -23.329 329 H8 G 190 H8 G 190 17.747 55.844 -20.769 330 H1 G 190 H1 G 190 24.032 56.800 -19.558 331 1H2 G 190 1H2 G 190 25.162 55.610 -20.807 332 2H2 G 190 2H2 G 190 24.505 54.517 -22.004 333 1H5* C 191 1H5* C 191 19.433 49.179 -21.572 334 2H5* C 191 2H5* C 191 19.489 48.169 -20.128 335 H4* C 191 H4* C 191 21.718 48.648 -21.040 336 H3* C 191 H3* C 191 21.050 49.602 -18.265 337 H2* C 191 H2* C 191 23.302 50.306 -17.980 338 2HO* C 191 2HO* C 191 24.552 49.789 -20.183 339 H1* C 191 H1* C 191 23.360 51.612 -20.478 340 1H4 C 191 1H4 C 191 22.115 56.174 -16.167 341 2H4 C 191 2H4 C 191 20.409 55.823 -16.337 342 H5 C 191 H5 C 191 19.556 54.030 -17.617 343 H6 C 191 H6 C 191 20.135 52.115 -19.063 344 1H5* G 192 1H5* G 192 24.747 47.213 -18.032 345 2H5* G 192 2H5* G 192 24.514 46.089 -16.694 346 H4* G 192 H4* G 192 26.635 47.170 -16.439 347 H3* G 192 H3* G 192 24.535 47.954 -14.440 348 H2* G 192 H2* G 192 26.130 49.295 -13.284 349 2HO* G 192 2HO* G 192 28.166 48.820 -15.147 350 H1* G 192 H1* G 192 26.965 50.604 -15.603 351 H8 G 192 H8 G 192 23.330 50.102 -15.977 352 H1 G 192 H1 G 192 24.768 54.999 -11.997 353 1H2 G 192 1H2 G 192 26.778 54.945 -11.537 354 2H2 G 192 2H2 G 192 27.905 53.750 -12.139 355 1H5* G 193 1H5* G 193 27.959 46.868 -12.129 356 2H5* G 193 2H5* G 193 27.457 45.742 -10.868 357 H4* G 193 H4* G 193 28.688 47.546 -9.874 358 H3* G 193 H3* G 193 25.749 47.471 -9.253 359 H2* G 193 H2* G 193 26.016 49.308 -7.759 360 2HO* G 193 2HO* G 193 28.160 49.901 -7.205 361 H1* G 193 H1* G 193 27.409 50.845 -9.626 362 H8 G 193 H8 G 193 24.803 48.950 -11.460 363 H1 G 193 H1 G 193 22.475 54.186 -8.452 364 1H2 G 193 1H2 G 193 23.906 54.937 -7.170 365 2H2 G 193 2H2 G 193 25.499 54.250 -6.944 366 1H5* A 194 1H5* A 194 27.464 47.352 -5.072 367 2H5* A 194 2H5* A 194 26.626 45.944 -4.421 368 H4* A 194 H4* A 194 26.332 47.814 -2.939 369 H3* A 194 H3* A 194 23.878 46.885 -4.398 370 H2* A 194 H2* A 194 22.557 48.463 -3.212 371 2HO* A 194 2HO* A 194 23.397 49.260 -1.308 372 H1* A 194 H1* A 194 24.336 50.578 -3.692 373 H8 A 194 H8 A 194 23.921 48.240 -6.618 374 1H6 A 194 1H6 A 194 19.240 51.946 -8.435 375 2H6 A 194 2H6 A 194 20.237 50.589 -8.905 376 H2 A 194 H2 A 194 20.552 53.245 -4.393 377 1H5* C 195 1H5* C 195 22.829 46.234 -0.045 378 2H5* C 195 2H5* C 195 21.622 44.949 -0.027 379 H4* C 195 H4* C 195 20.833 47.132 0.877 380 H3* C 195 H3* C 195 19.407 45.828 -1.432 381 H2* C 195 H2* C 195 17.722 47.496 -1.304 382 2HO* C 195 2HO* C 195 17.470 48.455 0.656 383 H1* C 195 H1* C 195 19.584 49.599 -1.137 384 1H4 C 195 1H4 C 195 18.005 49.320 -7.320 385 2H4 C 195 2H4 C 195 19.166 48.030 -7.544 386 H5 C 195 H5 C 195 20.375 47.029 -5.778 387 H6 C 195 H6 C 195 20.772 47.018 -3.342 388 1H5* G 196 1H5* G 196 16.146 45.947 1.809 389 2H5* G 196 2H5* G 196 15.506 44.309 1.676 390 H4* G 196 H4* G 196 13.723 45.948 1.542 391 H3* G 196 H3* G 196 14.273 44.304 -0.913 392 H2* G 196 H2* G 196 12.386 45.283 -1.989 393 2HO* G 196 2HO* G 196 11.004 45.450 -0.249 394 H1* G 196 H1* G 196 13.170 47.889 -1.365 395 H8 G 196 H8 G 196 16.184 45.824 -2.122 396 H1 G 196 H1 G 196 13.197 48.058 -7.411 397 1H2 G 196 1H2 G 196 11.377 48.870 -6.883 398 2H2 G 196 2H2 G 196 10.754 48.938 -5.249 399 1H5* A 197 1H5* A 197 10.599 41.578 2.063 400 2H5* A 197 2H5* A 197 11.417 40.312 1.148 401 H4* A 197 H4* A 197 9.083 39.780 1.340 402 H3* A 197 H3* A 197 10.010 40.536 -1.423 403 H2* A 197 H2* A 197 7.872 40.310 -2.246 404 2HO* A 197 2HO* A 197 6.759 38.521 -1.533 405 H1* A 197 H1* A 197 6.777 40.726 0.507 406 H8 A 197 H8 A 197 7.695 42.370 -2.814 407 1H6 A 197 1H6 A 197 2.594 45.861 -1.960 408 2H6 A 197 2H6 A 197 3.888 45.493 -3.078 409 H2 A 197 H2 A 197 3.172 43.338 1.651 410 1H5* U 198 1H5* U 198 10.431 36.643 0.467 411 2H5* U 198 2H5* U 198 12.030 36.357 -0.220 412 H4* U 198 H4* U 198 10.468 34.111 -0.914 413 H3* U 198 H3* U 198 9.885 35.046 1.888 414 H2* U 198 H2* U 198 9.963 32.822 2.652 415 2HO* U 198 2HO* U 198 9.646 31.173 1.112 416 H1* U 198 H1* U 198 12.187 32.233 0.881 417 H3 U 198 H3 U 198 15.149 31.780 4.201 418 H5 U 198 H5 U 198 12.306 34.356 5.879 419 H6 U 198 H6 U 198 11.152 34.334 3.716 420 1H5* G 199 1H5* G 199 5.181 35.637 -1.288 421 2H5* G 199 2H5* G 199 5.325 36.912 -0.077 422 H4* G 199 H4* G 199 3.105 36.280 0.083 423 H3* G 199 H3* G 199 4.705 34.884 2.210 424 H2* G 199 H2* G 199 2.706 33.922 3.077 425 2HO* G 199 2HO* G 199 0.959 34.871 1.192 426 H1* G 199 H1* G 199 1.853 33.016 0.578 427 H8 G 199 H8 G 199 5.476 33.011 1.855 428 H1 G 199 H1 G 199 2.510 27.258 1.816 429 1H2 G 199 1H2 G 199 0.567 27.491 1.168 430 2H2 G 199 2H2 G 199 -0.152 29.016 0.705 431 1H5* A 200 1H5* A 200 6.931 35.637 3.580 432 2H5* A 200 2H5* A 200 5.503 34.709 4.036 433 H4* A 200 H4* A 200 6.343 36.209 6.315 434 H3* A 200 H3* A 200 8.621 35.137 4.751 435 H2* A 200 H2* A 200 9.551 33.960 6.579 436 2HO* A 200 2HO* A 200 7.480 34.780 8.315 437 H1* A 200 H1* A 200 7.261 32.677 7.334 438 H8 A 200 H8 A 200 6.913 33.192 3.674 439 1H6 A 200 1H6 A 200 10.339 28.033 2.895 440 2H6 A 200 2H6 A 200 9.337 29.207 2.072 441 H2 A 200 H2 A 200 10.496 29.172 7.187 442 1H5* C 201 1H5* C 201 11.741 37.817 7.452 443 2H5* C 201 2H5* C 201 12.786 36.397 7.405 444 H4* C 201 H4* C 201 10.139 36.779 8.734 445 H3* C 201 H3* C 201 12.832 35.706 9.521 446 H2* C 201 H2* C 201 11.835 34.322 11.155 447 2HO* C 201 2HO* C 201 10.356 35.933 11.831 448 H1* C 201 H1* C 201 9.707 33.611 9.343 449 1H4 C 201 1H4 C 201 13.391 28.406 9.852 450 2H4 C 201 2H4 C 201 14.447 29.071 8.626 451 H5 C 201 H5 C 201 14.213 31.242 7.725 452 H6 C 201 H6 C 201 12.894 33.328 7.778 453 1H5* C 202 1H5* C 202 11.431 37.686 13.443 454 2H5* C 202 2H5* C 202 12.935 37.938 14.329 455 H4* C 202 H4* C 202 11.286 36.358 15.382 456 H3* C 202 H3* C 202 14.126 35.508 14.820 457 H2* C 202 H2* C 202 13.718 33.511 16.029 458 2HO* C 202 2HO* C 202 11.252 33.660 16.871 459 H1* C 202 H1* C 202 11.192 33.124 14.783 460 1H4 C 202 1H4 C 202 15.214 29.150 11.793 461 2H4 C 202 2H4 C 202 15.688 30.465 10.742 462 H5 C 202 H5 C 202 14.961 32.696 11.013 463 H6 C 202 H6 C 202 13.587 34.229 12.376 464 1H5* C 203 1H5* C 203 13.693 35.662 19.330 465 2H5* C 203 2H5* C 203 15.307 35.655 20.041 466 H4* C 203 H4* C 203 13.827 33.671 20.560 467 H3* C 203 H3* C 203 16.616 33.368 19.463 468 H2* C 203 H2* C 203 16.449 31.018 19.752 469 2HO* C 203 2HO* C 203 14.872 30.264 21.161 470 H1* C 203 H1* C 203 13.896 30.887 18.575 471 1H4 C 203 1H4 C 203 18.069 29.424 13.941 472 2H4 C 203 2H4 C 203 18.129 31.120 13.518 473 H5 C 203 H5 C 203 17.074 32.827 14.765 474 H6 C 203 H6 C 203 15.688 33.329 16.745 475 1H5* U 204 1H5* U 204 16.185 31.189 22.785 476 2H5* U 204 2H5* U 204 17.383 31.356 24.069 477 H4* U 204 H4* U 204 17.159 29.045 23.662 478 H3* U 204 H3* U 204 19.687 30.194 22.515 479 H2* U 204 H2* U 204 20.375 28.014 21.847 480 2HO* U 204 2HO* U 204 19.402 26.299 22.864 481 H1* U 204 H1* U 204 17.947 27.428 20.611 482 H3 U 204 H3 U 204 21.111 28.116 17.349 483 H5 U 204 H5 U 204 19.569 31.908 18.230 484 H6 U 204 H6 U 204 18.407 30.885 20.132 485 1H5* A 205 1H5* A 205 21.492 28.593 26.576 486 2H5* A 205 2H5* A 205 23.024 29.466 26.628 487 H4* A 205 H4* A 205 23.091 27.003 25.988 488 H3* A 205 H3* A 205 24.446 29.170 24.395 489 H2* A 205 H2* A 205 25.427 27.510 23.011 490 2HO* A 205 2HO* A 205 24.131 25.563 24.669 491 H1* A 205 H1* A 205 23.010 26.118 22.674 492 H8 A 205 H8 A 205 22.193 29.711 22.551 493 1H6 A 205 1H6 A 205 23.956 29.682 16.564 494 2H6 A 205 2H6 A 205 23.157 30.625 17.803 495 H2 A 205 H2 A 205 25.205 25.833 18.400 496 1H5* G 206 1H5* G 206 27.253 28.146 22.504 497 2H5* G 206 2H5* G 206 28.644 28.602 23.488 498 H4* G 206 H4* G 206 26.940 30.433 21.786 499 H3* G 206 H3* G 206 29.612 29.172 21.385 500 H2* G 206 H2* G 206 30.509 31.164 20.433 501 2HO* G 206 2HO* G 206 28.260 32.727 20.876 502 H1* G 206 H1* G 206 29.651 32.768 22.546 503 H8 G 206 H8 G 206 30.881 29.221 23.237 504 H1 G 206 H1 G 206 35.327 33.867 23.961 505 1H2 G 206 1H2 G 206 34.533 35.678 23.375 506 2H2 G 206 2H2 G 206 32.905 35.903 22.777 507 1H5* U 207 1H5* U 207 27.178 28.915 16.732 508 2H5* U 207 2H5* U 207 28.553 29.163 15.656 509 H4* U 207 H4* U 207 26.431 30.487 15.183 510 H3* U 207 H3* U 207 29.171 31.720 15.340 511 H2* U 207 H2* U 207 28.258 33.811 14.684 512 2HO* U 207 2HO* U 207 26.103 33.800 13.856 513 H1* U 207 H1* U 207 26.152 33.685 16.521 514 H3 U 207 H3 U 207 28.623 36.820 18.580 515 H5 U 207 H5 U 207 31.035 33.406 18.842 516 H6 U 207 H6 U 207 29.374 32.247 17.462 517 1H5* A 208 1H5* A 208 29.817 32.543 10.079 518 2H5* A 208 2H5* A 208 28.437 31.849 9.228 519 H4* A 208 H4* A 208 30.443 30.899 8.341 520 H3* A 208 H3* A 208 28.688 29.068 9.916 521 H2* A 208 H2* A 208 30.182 27.245 9.619 522 2HO* A 208 2HO* A 208 32.214 28.370 8.292 523 H1* A 208 H1* A 208 32.429 28.721 10.397 524 H8 A 208 H8 A 208 29.003 29.067 12.078 525 1H6 A 208 1H6 A 208 31.406 25.486 16.589 526 2H6 A 208 2H6 A 208 29.993 26.395 16.103 527 H2 A 208 H2 A 208 34.441 25.889 13.369 528 1H5* G 209 1H5* G 209 28.272 27.125 6.760 529 2H5* G 209 2H5* G 209 26.713 26.354 6.468 530 H4* G 209 H4* G 209 28.230 25.030 7.907 531 H3* G 209 H3* G 209 25.536 25.886 8.923 532 H2* G 209 H2* G 209 25.889 24.635 10.920 533 2HO* G 209 2HO* G 209 28.228 23.593 10.805 534 H1* G 209 H1* G 209 28.417 25.748 11.362 535 H8 G 209 H8 G 209 26.142 28.355 9.979 536 H1 G 209 H1 G 209 25.438 27.451 16.349 537 1H2 G 209 1H2 G 209 26.472 25.764 16.924 538 2H2 G 209 2H2 G 209 27.394 24.744 15.841 539 1H5* A 210 1H5* A 210 26.136 21.750 10.262 540 2H5* A 210 2H5* A 210 24.651 20.956 9.739 541 H4* A 210 H4* A 210 25.021 20.539 12.081 542 H3* A 210 H3* A 210 22.680 22.314 11.424 543 H2* A 210 H2* A 210 22.049 22.295 13.714 544 2HO* A 210 2HO* A 210 24.111 20.778 14.691 545 H1* A 210 H1* A 210 24.655 22.835 14.614 546 H8 A 210 H8 A 210 23.825 24.774 11.518 547 1H6 A 210 1H6 A 210 21.463 29.148 15.292 548 2H6 A 210 2H6 A 210 21.898 28.789 13.635 549 H2 A 210 H2 A 210 22.405 25.561 17.740 550 1H5* G 211 1H5* G 211 20.788 18.747 13.865 551 2H5* G 211 2H5* G 211 19.263 18.645 12.986 552 H4* G 211 H4* G 211 19.053 18.938 15.461 553 H3* G 211 H3* G 211 17.740 20.830 13.531 554 H2* G 211 H2* G 211 16.686 21.949 15.351 555 2HO* G 211 2HO* G 211 17.670 20.719 17.487 556 H1* G 211 H1* G 211 19.065 22.215 16.787 557 H8 G 211 H8 G 211 19.983 22.682 13.250 558 H1 G 211 H1 G 211 17.119 27.906 15.776 559 1H2 G 211 1H2 G 211 16.284 27.421 17.598 560 2H2 G 211 2H2 G 211 16.348 25.834 18.331 561 1H5* G 212 1H5* G 212 14.209 18.947 15.901 562 2H5* G 212 2H5* G 212 12.913 18.957 14.705 563 H4* G 212 H4* G 212 12.404 20.147 16.847 564 H3* G 212 H3* G 212 12.156 21.509 14.181 565 H2* G 212 H2* G 212 11.265 23.441 15.253 566 2HO* G 212 2HO* G 212 11.048 23.150 17.688 567 H1* G 212 H1* G 212 13.320 23.559 17.134 568 H8 G 212 H8 G 212 14.935 22.454 14.020 569 H1 G 212 H1 G 212 13.608 28.788 13.997 570 1H2 G 212 1H2 G 212 12.351 29.234 15.570 571 2H2 G 212 2H2 G 212 11.746 28.066 16.723 572 1H5* G 213 1H5* G 213 7.619 20.289 14.675 573 2H5* G 213 2H5* G 213 7.137 20.133 12.986 574 H4* G 213 H4* G 213 6.129 22.066 14.213 575 H3* G 213 H3* G 213 7.673 22.453 11.662 576 H2* G 213 H2* G 213 7.082 24.761 11.672 577 2HO* G 213 2HO* G 213 4.976 24.387 12.489 578 H1* G 213 H1* G 213 7.858 25.113 14.337 579 H8 G 213 H8 G 213 10.356 22.828 12.921 580 H1 G 213 H1 G 213 11.266 28.942 11.005 581 1H2 G 213 1H2 G 213 9.607 30.069 11.485 582 2H2 G 213 2H2 G 213 8.181 29.449 12.286 583 1H5* G 214 1H5* G 214 6.048 25.512 10.028 584 2H5* G 214 2H5* G 214 5.241 24.723 8.674 585 H4* G 214 H4* G 214 7.024 26.251 7.956 586 H3* G 214 H3* G 214 7.215 23.334 7.285 587 H2* G 214 H2* G 214 9.211 23.728 6.046 588 2HO* G 214 2HO* G 214 9.442 26.414 6.642 589 H1* G 214 H1* G 214 10.409 25.175 8.115 590 H8 G 214 H8 G 214 8.586 22.485 9.813 591 H1 G 214 H1 G 214 14.007 20.356 6.993 592 1H2 G 214 1H2 G 214 14.737 21.805 5.719 593 2H2 G 214 2H2 G 214 13.990 23.364 5.455 594 1H5* G 215 1H5* G 215 8.048 25.012 3.591 595 2H5* G 215 2H5* G 215 6.604 24.766 2.610 596 H4* G 215 H4* G 215 8.322 24.190 1.172 597 H3* G 215 H3* G 215 7.154 21.721 2.415 598 H2* G 215 H2* G 215 8.630 20.358 1.136 599 2HO* G 215 2HO* G 215 8.645 21.549 -0.756 600 H1* G 215 H1* G 215 10.897 21.782 1.866 601 H8 G 215 H8 G 215 8.428 21.680 4.688 602 H1 G 215 H1 G 215 12.241 16.461 4.355 603 1H2 G 215 1H2 G 215 13.312 16.502 2.594 604 2H2 G 215 2H2 G 215 13.194 17.763 1.386 605 1H5* C 216 1H5* C 216 5.070 21.575 -1.719 606 2H5* C 216 2H5* C 216 3.673 20.530 -1.474 607 H4* C 216 H4* C 216 5.688 19.539 -2.672 608 H3* C 216 H3* C 216 4.325 18.203 -0.341 609 H2* C 216 H2* C 216 5.708 16.300 -0.656 610 2HO* C 216 2HO* C 216 6.532 16.015 -2.681 611 H1* C 216 H1* C 216 8.054 17.831 -0.891 612 1H4 C 216 1H4 C 216 7.770 15.906 5.213 613 2H4 C 216 2H4 C 216 6.931 17.393 5.594 614 H5 C 216 H5 C 216 6.209 18.951 3.973 615 H6 C 216 H6 C 216 6.114 19.470 1.561 616 1H5* U 217 1H5* U 217 4.524 15.663 -3.242 617 2H5* U 217 2H5* U 217 3.115 14.751 -3.786 618 H4* U 217 H4* U 217 4.688 13.113 -3.297 619 H3* U 217 H3* U 217 2.765 13.422 -1.006 620 H2* U 217 H2* U 217 3.816 11.593 0.105 621 2HO* U 217 2HO* U 217 5.567 10.534 -1.176 622 H1* U 217 H1* U 217 6.380 12.649 -0.239 623 H3 U 217 H3 U 217 5.764 13.355 4.174 624 H5 U 217 H5 U 217 3.189 16.128 2.380 625 H6 U 217 H6 U 217 3.750 15.104 0.223 626 1H5* G 218 1H5* G 218 0.458 9.166 -2.783 627 2H5* G 218 2H5* G 218 0.028 8.639 -1.156 628 H4* G 218 H4* G 218 1.544 7.036 -1.384 629 H3* G 218 H3* G 218 3.387 9.398 -1.130 630 H2* G 218 H2* G 218 5.248 8.023 -1.587 631 2HO* G 218 2HO* G 218 3.497 5.765 -1.643 632 H1* G 218 H1* G 218 3.827 6.617 -3.655 633 H8 G 218 H8 G 218 3.597 10.309 -4.024 634 H1 G 218 H1 G 218 9.063 7.842 -6.457 635 1H2 G 218 1H2 G 218 9.250 5.873 -5.872 636 2H2 G 218 2H2 G 218 8.097 5.018 -4.872 637 1H5* C 219 1H5* C 219 4.356 6.710 1.928 638 2H5* C 219 2H5* C 219 3.787 5.340 2.881 639 H4* C 219 H4* C 219 4.669 6.577 4.558 640 H3* C 219 H3* C 219 1.833 7.477 4.266 641 H2* C 219 H2* C 219 2.116 9.188 5.859 642 2HO* C 219 2HO* C 219 4.787 8.303 6.320 643 H1* C 219 H1* C 219 4.587 10.061 4.861 644 1H4 C 219 1H4 C 219 -0.101 13.703 2.341 645 2H4 C 219 2H4 C 219 0.241 12.895 0.827 646 H5 C 219 H5 C 219 1.699 11.049 0.621 647 H6 C 219 H6 C 219 3.203 9.508 1.829 648 1H5* G 220 1H5* G 220 4.590 3.570 6.536 649 2H5* G 220 2H5* G 220 4.713 5.300 6.216 650 H4* G 220 H4* G 220 6.368 3.125 5.282 651 H3* G 220 H3* G 220 6.578 6.142 5.254 652 H2* G 220 H2* G 220 8.459 5.946 3.880 653 2HO* G 220 2HO* G 220 9.756 4.229 4.313 654 H1* G 220 H1* G 220 7.301 3.558 2.618 655 H8 G 220 H8 G 220 7.135 4.128 0.169 656 H1 G 220 H1 G 220 6.862 10.486 1.348 657 1H2 G 220 1H2 G 220 6.790 10.807 3.384 658 2H2 G 220 2H2 G 220 6.802 9.541 4.592 659 1H5* G 221 1H5* G 221 9.929 5.054 6.267 660 2H5* G 221 2H5* G 221 11.045 6.007 7.246 661 H4* G 221 H4* G 221 11.246 5.923 4.627 662 H3* G 221 H3* G 221 11.715 8.276 6.439 663 H2* G 221 H2* G 221 12.340 9.593 4.562 664 2HO* G 221 2HO* G 221 11.863 7.352 2.867 665 H1* G 221 H1* G 221 10.117 8.866 3.052 666 H8 G 221 H8 G 221 9.597 9.267 6.796 667 H1 G 221 H1 G 221 8.475 14.602 3.308 668 1H2 G 221 1H2 G 221 9.020 14.269 1.347 669 2H2 G 221 2H2 G 221 9.681 12.769 0.738 670 1H5* C 222 1H5* C 222 15.512 8.046 3.785 671 2H5* C 222 2H5* C 222 16.593 9.126 4.664 672 H4* C 222 H4* C 222 15.658 9.749 2.285 673 H3* C 222 H3* C 222 16.109 11.599 4.619 674 H2* C 222 H2* C 222 15.484 13.435 3.254 675 2HO* C 222 2HO* C 222 14.944 11.953 0.974 676 H1* C 222 H1* C 222 13.212 12.146 2.232 677 1H4 C 222 1H4 C 222 11.254 15.737 7.177 678 2H4 C 222 2H4 C 222 11.356 14.304 8.178 679 H5 C 222 H5 C 222 12.256 12.247 7.444 680 H6 C 222 H6 C 222 13.289 11.046 5.551 681 1H5* U 223 1H5* U 223 17.018 14.132 1.680 682 2H5* U 223 2H5* U 223 18.671 14.659 1.994 683 H4* U 223 H4* U 223 17.131 16.545 1.864 684 H3* U 223 H3* U 223 18.470 16.028 4.515 685 H2* U 223 H2* U 223 17.504 17.982 5.382 686 2HO* U 223 2HO* U 223 17.434 19.592 3.926 687 H1* U 223 H1* U 223 15.040 17.537 3.930 688 H3 U 223 H3 U 223 13.927 18.014 8.358 689 H5 U 223 H5 U 223 15.281 14.070 7.975 690 H6 U 223 H6 U 223 16.012 14.646 5.706 691 1H5* U 224 1H5* U 224 21.577 19.488 1.910 692 2H5* U 224 2H5* U 224 20.764 21.053 1.892 693 H4* U 224 H4* U 224 20.325 18.866 0.194 694 H3* U 224 H3* U 224 18.934 21.513 0.584 695 H2* U 224 H2* U 224 17.337 20.868 -1.044 696 2HO* U 224 2HO* U 224 17.947 19.289 -2.494 697 H1* U 224 H1* U 224 16.999 18.295 0.035 698 H3 U 224 H3 U 224 13.056 19.750 1.541 699 H5 U 224 H5 U 224 15.710 22.563 3.150 700 H6 U 224 H6 U 224 17.513 21.386 1.975 701 1H5* A 225 1H5* A 225 20.145 21.220 -3.727 702 2H5* A 225 2H5* A 225 19.827 22.739 -4.565 703 H4* A 225 H4* A 225 18.383 20.729 -5.170 704 H3* A 225 H3* A 225 17.264 23.440 -4.486 705 H2* A 225 H2* A 225 15.092 22.663 -5.045 706 2HO* A 225 2HO* A 225 15.518 20.113 -5.706 707 H1* A 225 H1* A 225 15.370 20.286 -3.577 708 H8 A 225 H8 A 225 16.948 23.006 -1.628 709 1H6 A 225 1H6 A 225 11.263 24.434 0.515 710 2H6 A 225 2H6 A 225 12.973 24.741 0.719 711 H2 A 225 H2 A 225 10.805 21.521 -2.809 712 1H5* G 226 1H5* G 226 15.763 22.081 -8.023 713 2H5* G 226 2H5* G 226 16.041 23.135 -9.409 714 H4* G 226 H4* G 226 13.814 22.545 -9.630 715 H3* G 226 H3* G 226 14.029 25.233 -8.309 716 H2* G 226 H2* G 226 11.653 25.418 -8.289 717 2HO* G 226 2HO* G 226 10.548 23.486 -9.333 718 H1* G 226 H1* G 226 11.298 22.890 -7.157 719 H8 G 226 H8 G 226 14.330 24.409 -5.644 720 H1 G 226 H1 G 226 8.824 26.592 -3.034 721 1H2 G 226 1H2 G 226 7.226 25.981 -4.185 722 2H2 G 226 2H2 G 226 7.358 25.019 -5.640 723 1H5* G 227 1H5* G 227 12.879 25.233 -12.940 724 2H5* G 227 2H5* G 227 14.508 24.691 -13.344 725 H4* G 227 H4* G 227 13.491 25.732 -15.264 726 H3* G 227 H3* G 227 15.803 27.192 -14.020 727 H2* G 227 H2* G 227 15.726 28.807 -15.772 728 2HO* G 227 2HO* G 227 15.136 27.694 -17.558 729 H1* G 227 H1* G 227 12.981 29.230 -15.490 730 H8 G 227 H8 G 227 14.537 28.669 -12.141 731 H1 G 227 H1 G 227 15.113 34.752 -14.273 732 1H2 G 227 1H2 G 227 14.532 34.847 -16.250 733 2H2 G 227 2H2 G 227 13.973 33.482 -17.189 734 1H5* A 228 1H5* A 228 16.801 26.640 -18.209 735 2H5* A 228 2H5* A 228 18.523 26.287 -18.362 736 H4* A 228 H4* A 228 17.878 28.229 -19.688 737 H3* A 228 H3* A 228 19.810 28.631 -17.425 738 H2* A 228 H2* A 228 20.072 30.913 -18.039 739 2HO* A 228 2HO* A 228 18.212 30.847 -20.106 740 H1* A 228 H1* A 228 17.300 31.342 -18.223 741 H8 A 228 H8 A 228 18.003 29.161 -15.300 742 1H6 A 228 1H6 A 228 19.081 34.363 -12.026 743 2H6 A 228 2H6 A 228 18.859 32.632 -11.904 744 H2 A 228 H2 A 228 18.746 35.466 -16.317 745 1H5* G 229 1H5* G 229 21.609 30.132 -21.178 746 2H5* G 229 2H5* G 229 23.310 29.669 -21.207 747 H4* G 229 H4* G 229 23.043 32.042 -21.644 748 H3* G 229 H3* G 229 24.468 31.237 -19.129 749 H2* G 229 H2* G 229 24.935 33.523 -18.647 750 2HO* G 229 2HO* G 229 24.486 35.054 -20.320 751 H1* G 229 H1* G 229 22.287 34.320 -19.017 752 H8 G 229 H8 G 229 22.081 31.010 -17.424 753 H1 G 229 H1 G 229 23.657 35.676 -13.225 754 1H2 G 229 1H2 G 229 24.154 37.392 -14.256 755 2H2 G 229 2H2 G 229 24.145 37.544 -15.999 756 1H5* G 230 1H5* G 230 27.441 34.105 -21.383 757 2H5* G 230 2H5* G 230 28.951 33.280 -20.995 758 H4* G 230 H4* G 230 28.938 35.688 -20.408 759 H3* G 230 H3* G 230 29.425 33.606 -18.297 760 H2* G 230 H2* G 230 29.847 35.324 -16.699 761 2HO* G 230 2HO* G 230 29.277 37.481 -18.294 762 H1* G 230 H1* G 230 27.512 36.717 -17.328 763 H8 G 230 H8 G 230 26.596 33.167 -17.585 764 H1 G 230 H1 G 230 27.031 35.161 -11.442 765 1H2 G 230 1H2 G 230 27.943 37.009 -11.381 766 2H2 G 230 2H2 G 230 28.506 37.888 -12.785 767 1H5* G 231 1H5* G 231 32.819 36.451 -17.906 768 2H5* G 231 2H5* G 231 34.236 35.402 -17.895 769 H4* G 231 H4* G 231 34.360 36.882 -16.021 770 H3* G 231 H3* G 231 33.816 34.006 -15.356 771 H2* G 231 H2* G 231 33.928 34.513 -13.030 772 2HO* G 231 2HO* G 231 34.854 36.478 -12.447 773 H1* G 231 H1* G 231 32.156 36.659 -13.239 774 H8 G 231 H8 G 231 30.990 34.043 -15.588 775 H1 G 231 H1 G 231 29.347 32.832 -9.447 776 1H2 G 231 1H2 G 231 30.360 34.121 -8.196 777 2H2 G 231 2H2 G 231 31.487 35.347 -8.731 778 1H5* C 232 1H5* C 232 36.768 35.376 -13.023 779 2H5* C 232 2H5* C 232 38.249 34.424 -12.937 780 H4* C 232 H4* C 232 37.609 34.786 -10.712 781 H3* C 232 H3* C 232 36.903 32.013 -11.636 782 H2* C 232 H2* C 232 36.153 31.477 -9.445 783 2HO* C 232 2HO* C 232 36.676 34.062 -8.470 784 H1* C 232 H1* C 232 34.626 33.819 -9.212 785 1H4 C 232 1H4 C 232 30.429 29.451 -11.213 786 2H4 C 232 2H4 C 232 31.040 29.613 -12.844 787 H5 C 232 H5 C 232 32.898 30.950 -13.426 788 H6 C 232 H6 C 232 34.646 32.474 -12.576 789 1H5* A 233 1H5* A 233 39.661 31.486 -8.066 790 2H5* A 233 2H5* A 233 40.679 30.111 -8.490 791 H4* A 233 H4* A 233 39.596 29.816 -6.320 792 H3* A 233 H3* A 233 38.918 27.894 -8.529 793 H2* A 233 H2* A 233 37.602 26.618 -7.014 794 2HO* A 233 2HO* A 233 37.784 28.072 -4.765 795 H1* A 233 H1* A 233 36.229 28.841 -6.035 796 H8 A 233 H8 A 233 36.686 29.493 -9.627 797 1H6 A 233 1H6 A 233 31.773 25.798 -10.709 798 2H6 A 233 2H6 A 233 32.864 26.956 -11.438 799 H2 A 233 H2 A 233 32.971 25.307 -6.459 800 1H5* G 234 1H5* G 234 40.514 25.131 -5.150 801 2H5* G 234 2H5* G 234 41.590 24.120 -6.115 802 H4* G 234 H4* G 234 40.120 22.731 -4.808 803 H3* G 234 H3* G 234 39.691 22.692 -7.782 804 H2* G 234 H2* G 234 38.052 20.983 -7.520 805 2HO* G 234 2HO* G 234 37.956 20.801 -4.823 806 H1* G 234 H1* G 234 36.674 22.371 -5.529 807 H8 G 234 H8 G 234 37.951 24.801 -8.048 808 H1 G 234 H1 G 234 32.459 21.889 -9.849 809 1H2 G 234 1H2 G 234 32.052 20.330 -8.562 810 2H2 G 234 2H2 G 234 33.051 19.879 -7.198 811 1H GLY 15 1H GLY 15 3.762 -0.579 -2.352 812 1HA GLY 15 1HA GLY 15 4.503 -1.591 -0.087 813 2HA GLY 15 2HA GLY 15 5.583 -2.526 -1.109 814 H ARG 16 H ARG 16 7.577 -1.759 -1.180 815 HA ARG 16 HA ARG 16 8.039 1.062 -0.563 816 1HB ARG 16 2HB ARG 16 10.429 0.355 -0.360 817 2HB ARG 16 3HB ARG 16 9.341 -0.455 0.761 818 1HG ARG 16 2HG ARG 16 9.748 -1.865 -1.775 819 2HG ARG 16 3HG ARG 16 11.193 -1.699 -0.777 820 1HD ARG 16 2HD ARG 16 10.457 -3.197 0.706 821 2HD ARG 16 3HD ARG 16 8.859 -2.455 0.775 822 HE ARG 16 HE ARG 16 9.012 -3.830 -1.630 823 1HH1 ARG 16 2HH1 ARG 16 9.113 -4.548 1.775 824 2HH1 ARG 16 1HH1 ARG 16 8.439 -6.134 1.594 825 1HH2 ARG 16 2HH2 ARG 16 8.122 -5.916 -1.881 826 2HH2 ARG 16 1HH2 ARG 16 7.876 -6.911 -0.486 827 H ALA 17 H ALA 17 9.444 2.357 -1.849 828 HA ALA 17 HA ALA 17 10.347 1.449 -4.414 829 1HB ALA 17 1HB ALA 17 8.944 3.183 -5.652 830 2HB ALA 17 2HB ALA 17 8.133 1.700 -5.145 831 3HB ALA 17 3HB ALA 17 7.906 3.188 -4.225 832 H ARG 18 H ARG 18 11.269 2.856 -1.953 833 HA ARG 18 HA ARG 18 11.765 5.571 -2.499 834 1HB ARG 18 2HB ARG 18 12.743 3.555 -0.585 835 2HB ARG 18 3HB ARG 18 13.873 4.859 -0.926 836 1HG ARG 18 2HG ARG 18 11.094 5.667 -0.359 837 2HG ARG 18 3HG ARG 18 12.005 4.978 0.987 838 1HD ARG 18 2HD ARG 18 12.896 7.287 -0.736 839 2HD ARG 18 3HD ARG 18 12.209 7.424 0.882 840 HE ARG 18 HE ARG 18 14.311 5.792 1.278 841 1HH1 ARG 18 2HH1 ARG 18 13.984 8.859 -0.337 842 2HH1 ARG 18 1HH1 ARG 18 15.603 9.366 0.018 843 1HH2 ARG 18 2HH2 ARG 18 16.445 6.448 1.750 844 2HH2 ARG 18 1HH2 ARG 18 17.002 7.992 1.203 845 H GLY 19 H GLY 19 12.455 5.751 -4.652 846 1HA GLY 19 1HA GLY 19 15.007 6.173 -5.274 847 2HA GLY 19 2HA GLY 19 14.927 4.425 -5.439 848 H LEU 20 H LEU 20 11.969 5.024 -6.273 849 HA LEU 20 HA LEU 20 12.628 5.614 -9.084 850 1HB LEU 20 2HB LEU 20 11.010 3.518 -7.821 851 2HB LEU 20 3HB LEU 20 10.244 4.303 -9.200 852 HG LEU 20 HG LEU 20 13.017 3.437 -9.652 853 1HD1 LEU 20 1HD1 LEU 20 12.664 1.139 -9.682 854 2HD1 LEU 20 2HD1 LEU 20 10.912 1.307 -9.584 855 3HD1 LEU 20 3HD1 LEU 20 11.910 1.648 -8.171 856 1HD2 LEU 20 1HD2 LEU 20 11.565 4.373 -11.397 857 2HD2 LEU 20 2HD2 LEU 20 10.445 3.029 -11.175 858 3HD2 LEU 20 3HD2 LEU 20 12.077 2.727 -11.774 859 H CYS 21 H CYS 21 11.781 7.496 -9.900 860 HA CYS 21 HA CYS 21 10.059 9.050 -8.350 861 1HB CYS 21 2HB CYS 21 11.579 10.058 -9.955 862 2HB CYS 21 3HB CYS 21 10.793 9.237 -11.289 863 H TYR 22 H TYR 22 7.862 9.357 -8.509 864 HA TYR 22 HA TYR 22 6.363 7.338 -10.035 865 1HB TYR 22 2HB TYR 22 6.162 7.340 -7.524 866 2HB TYR 22 3HB TYR 22 5.391 8.917 -7.649 867 HD1 TYR 22 HD1 TYR 22 4.945 5.962 -9.863 868 HD2 TYR 22 HD2 TYR 22 3.206 8.496 -6.920 869 HE1 TYR 22 HE1 TYR 22 2.771 4.863 -10.210 870 HE2 TYR 22 HE2 TYR 22 1.028 7.404 -7.258 871 HH TYR 22 HH TYR 22 0.520 5.074 -9.827 872 H THR 23 H THR 23 7.261 9.653 -11.343 873 HA THR 23 HA THR 23 4.685 10.865 -12.033 874 HB THR 23 HB THR 23 7.203 12.435 -11.457 875 HG1 THR 23 HG1 THR 23 4.595 12.657 -10.331 876 1HG2 THR 23 1HG2 THR 23 4.631 13.226 -12.803 877 2HG2 THR 23 2HG2 THR 23 6.285 13.463 -13.368 878 3HG2 THR 23 3HG2 THR 23 5.674 14.404 -12.008 879 H CYS 24 H CYS 24 8.205 10.628 -12.919 880 HA CYS 24 HA CYS 24 7.311 10.733 -15.705 881 1HB CYS 24 2HB CYS 24 9.587 11.447 -16.273 882 2HB CYS 24 3HB CYS 24 8.838 12.549 -15.135 883 H GLY 25 H GLY 25 9.205 9.085 -13.244 884 1HA GLY 25 1HA GLY 25 9.286 6.671 -13.206 885 2HA GLY 25 2HA GLY 25 9.303 6.692 -14.963 886 H SER 26 H SER 26 11.259 8.859 -13.043 887 HA SER 26 HA SER 26 13.651 7.578 -14.149 888 1HB SER 26 2HB SER 26 13.087 10.119 -14.351 889 2HB SER 26 3HB SER 26 13.676 10.203 -12.691 890 HG SER 26 HG SER 26 15.062 9.569 -15.047 891 HA PRO 27 HA PRO 27 14.342 5.828 -10.104 892 1HB PRO 27 2HB PRO 27 16.650 4.556 -10.757 893 2HB PRO 27 3HB PRO 27 15.055 3.943 -11.208 894 1HG PRO 27 2HG PRO 27 17.022 5.491 -12.850 895 2HG PRO 27 3HG PRO 27 16.044 4.085 -13.309 896 1HD PRO 27 2HD PRO 27 15.369 6.618 -13.992 897 2HD PRO 27 3HD PRO 27 14.157 5.360 -13.670 898 H GLY 28 H GLY 28 14.797 7.694 -8.912 899 1HA GLY 28 1HA GLY 28 17.274 8.035 -7.826 900 2HA GLY 28 2HA GLY 28 17.287 9.100 -9.224 901 H HIS 29 H HIS 29 15.301 10.569 -9.364 902 HA HIS 29 HA HIS 29 15.036 11.884 -6.781 903 1HB HIS 29 2HB HIS 29 14.214 13.784 -8.006 904 2HB HIS 29 3HB HIS 29 15.633 13.168 -8.847 905 HD1 HIS 29 HD1 HIS 29 15.356 12.700 -11.272 906 HD2 HIS 29 HD2 HIS 29 11.708 12.952 -9.299 907 HE1 HIS 29 HE1 HIS 29 13.607 12.574 -13.074 908 H TYR 30 H TYR 30 12.813 12.934 -6.378 909 HA TYR 30 HA TYR 30 10.749 10.874 -6.799 910 1HB TYR 30 2HB TYR 30 11.677 12.228 -4.411 911 2HB TYR 30 3HB TYR 30 9.950 12.471 -4.643 912 HD1 TYR 30 HD1 TYR 30 12.398 9.653 -4.941 913 HD2 TYR 30 HD2 TYR 30 8.585 10.958 -3.578 914 HE1 TYR 30 HE1 TYR 30 11.966 7.413 -4.022 915 HE2 TYR 30 HE2 TYR 30 8.142 8.722 -2.655 916 HH TYR 30 HH TYR 30 8.840 6.571 -2.626 917 H GLN 31 H GLN 31 8.465 11.875 -6.446 918 HA GLN 31 HA GLN 31 7.883 13.543 -8.570 919 1HB GLN 31 2HB GLN 31 6.137 12.236 -7.606 920 2HB GLN 31 3HB GLN 31 6.350 12.992 -6.032 921 1HG GLN 31 2HG GLN 31 5.726 14.889 -8.155 922 2HG GLN 31 3HG GLN 31 4.474 13.675 -7.898 923 1HE2 GLN 31 1HE2 GLN 31 2.995 15.061 -7.015 924 2HE2 GLN 31 2HE2 GLN 31 3.198 15.804 -5.469 925 H ALA 32 H ALA 32 8.472 14.379 -5.188 926 HA ALA 32 HA ALA 32 7.800 17.100 -5.342 927 1HB ALA 32 1HB ALA 32 10.000 16.263 -3.534 928 2HB ALA 32 2HB ALA 32 8.587 17.267 -3.211 929 3HB ALA 32 3HB ALA 32 8.419 15.514 -3.310 930 H GLN 33 H GLN 33 10.454 15.378 -6.625 931 HA GLN 33 HA GLN 33 11.819 17.917 -7.228 932 1HB GLN 33 2HB GLN 33 12.850 15.739 -5.790 933 2HB GLN 33 3HB GLN 33 13.591 15.641 -7.381 934 1HG GLN 33 2HG GLN 33 14.060 18.171 -7.023 935 2HG GLN 33 3HG GLN 33 13.806 17.785 -5.321 936 1HE2 GLN 33 1HE2 GLN 33 15.954 17.685 -7.949 937 2HE2 GLN 33 2HE2 GLN 33 17.246 16.844 -7.169 938 H CYS 34 H CYS 34 9.756 16.026 -8.686 939 HA CYS 34 HA CYS 34 11.219 14.988 -10.864 940 1HB CYS 34 2HB CYS 34 8.980 14.155 -10.109 941 2HB CYS 34 3HB CYS 34 8.255 15.627 -10.722 942 HA PRO 35 HA PRO 35 11.863 18.926 -12.865 943 1HB PRO 35 2HB PRO 35 12.901 17.914 -15.160 944 2HB PRO 35 3HB PRO 35 13.816 18.005 -13.650 945 1HG PRO 35 2HG PRO 35 12.383 15.671 -14.858 946 2HG PRO 35 3HG PRO 35 13.978 15.727 -14.085 947 1HD PRO 35 2HD PRO 35 11.767 14.829 -12.804 948 2HD PRO 35 3HD PRO 35 13.087 15.662 -11.959 949 H LYS 36 H LYS 36 9.758 16.422 -13.864 950 HA LYS 36 HA LYS 36 8.723 17.972 -16.119 951 1HB LYS 36 2HB LYS 36 9.166 15.369 -16.043 952 2HB LYS 36 3HB LYS 36 7.575 15.339 -15.294 953 1HG LYS 36 2HG LYS 36 6.555 15.631 -17.243 954 2HG LYS 36 3HG LYS 36 7.604 16.983 -17.674 955 1HD LYS 36 2HD LYS 36 9.364 15.276 -18.266 956 2HD LYS 36 3HD LYS 36 8.116 14.041 -18.078 957 1HE LYS 36 2HE LYS 36 6.834 15.750 -19.708 958 2HE LYS 36 3HE LYS 36 8.497 16.059 -20.203 959 1HZ LYS 36 1HZ LYS 36 8.742 13.624 -20.509 960 2HZ LYS 36 2HZ LYS 36 7.622 14.331 -21.560 961 3HZ LYS 36 3HZ LYS 36 7.084 13.450 -20.220 962 H LYS 37 H LYS 37 8.297 17.952 -12.900 963 HA LYS 37 HA LYS 37 5.384 18.183 -12.936 964 1HB LYS 37 2HB LYS 37 7.307 17.365 -11.000 965 2HB LYS 37 3HB LYS 37 6.475 18.779 -10.369 966 1HG LYS 37 2HG LYS 37 4.897 16.532 -11.539 967 2HG LYS 37 3HG LYS 37 5.543 16.401 -9.902 968 1HD LYS 37 2HD LYS 37 4.464 18.777 -9.623 969 2HD LYS 37 3HD LYS 37 3.473 18.256 -10.989 970 1HE LYS 37 2HE LYS 37 3.515 16.092 -9.215 971 2HE LYS 37 3HE LYS 37 3.298 17.522 -8.208 972 1HZ LYS 37 1HZ LYS 37 1.204 16.496 -9.039 973 2HZ LYS 37 2HZ LYS 37 1.652 16.950 -10.607 974 3HZ LYS 37 3HZ LYS 37 1.377 18.134 -9.430 975 H ARG 38 H ARG 38 7.280 20.159 -14.161 976 HA ARG 38 HA ARG 38 6.795 22.522 -12.508 977 1HB ARG 38 2HB ARG 38 8.277 23.682 -14.095 978 2HB ARG 38 3HB ARG 38 9.046 22.265 -13.396 979 1HG ARG 38 2HG ARG 38 9.074 21.128 -15.370 980 2HG ARG 38 3HG ARG 38 7.640 21.948 -15.989 981 1HD ARG 38 2HD ARG 38 10.232 23.401 -15.574 982 2HD ARG 38 3HD ARG 38 9.902 22.507 -17.058 983 HE ARG 38 HE ARG 38 7.729 24.156 -16.667 984 1HH1 ARG 38 2HH1 ARG 38 11.161 24.542 -17.112 985 2HH1 ARG 38 1HH1 ARG 38 11.019 26.088 -17.881 986 1HH2 ARG 38 2HH2 ARG 38 7.530 26.191 -17.677 987 2HH2 ARG 38 1HH2 ARG 38 8.953 27.026 -18.201 988 H LYS 39 H LYS 39 6.245 24.557 -13.865 989 HA LYS 39 HA LYS 39 4.752 24.372 -16.225 990 1HB LYS 39 2HB LYS 39 3.332 23.252 -14.181 991 2HB LYS 39 3HB LYS 39 2.771 24.917 -14.116 992 1HG LYS 39 2HG LYS 39 2.545 24.510 -16.741 993 2HG LYS 39 3HG LYS 39 2.350 22.847 -16.184 994 1HD LYS 39 2HD LYS 39 0.796 25.101 -14.954 995 2HD LYS 39 3HD LYS 39 0.244 24.300 -16.427 996 1HE LYS 39 2HE LYS 39 -0.647 22.684 -15.191 997 2HE LYS 39 3HE LYS 39 0.960 22.274 -14.592 998 1HZ LYS 39 1HZ LYS 39 -0.915 22.931 -12.944 999 2HZ LYS 39 2HZ LYS 39 -0.501 24.514 -13.372 1000 3HZ LYS 39 3HZ LYS 39 0.661 23.492 -12.689 1001 H SER 40 H SER 40 3.371 26.388 -16.561 1002 HA SER 40 HA SER 40 4.878 28.656 -15.522 1003 1HB SER 40 2HB SER 40 3.195 28.137 -17.908 1004 2HB SER 40 3HB SER 40 3.156 29.781 -17.271 1005 HG SER 40 HG SER 40 5.369 28.310 -18.230 1006 H GLY 41 H GLY 41 1.414 28.190 -16.245 1007 1HA GLY 41 1HA GLY 41 -0.256 28.304 -14.490 1008 2HA GLY 41 2HA GLY 41 0.807 29.405 -13.627 1009 H ASN 42 H ASN 42 -1.985 29.773 -14.367 1010 HA ASN 42 HA ASN 42 -1.683 32.353 -15.686 1011 1HB ASN 42 2HB ASN 42 -2.316 30.438 -17.352 1012 2HB ASN 42 3HB ASN 42 -3.913 30.578 -16.622 1013 1HD2 ASN 42 1HD2 ASN 42 -1.845 31.743 -18.972 1014 2HD2 ASN 42 2HD2 ASN 42 -2.721 33.166 -19.410 1015 H SER 43 H SER 43 -2.130 31.834 -13.001 1016 HA SER 43 HA SER 43 -4.957 32.038 -12.446 1017 1HB SER 43 2HB SER 43 -2.674 32.450 -10.509 1018 2HB SER 43 3HB SER 43 -4.343 32.026 -10.130 1019 HG SER 43 HG SER 43 -2.869 30.228 -10.090 1020 H ARG 44 H ARG 44 -5.180 33.845 -10.454 1021 HA ARG 44 HA ARG 44 -4.398 36.404 -11.686 1022 1HB ARG 44 2HB ARG 44 -6.958 35.455 -11.609 1023 2HB ARG 44 3HB ARG 44 -6.895 36.403 -10.129 1024 1HG ARG 44 2HG ARG 44 -6.930 38.339 -11.236 1025 2HG ARG 44 3HG ARG 44 -5.759 37.781 -12.433 1026 1HD ARG 44 2HD ARG 44 -7.506 36.606 -13.633 1027 2HD ARG 44 3HD ARG 44 -8.686 37.056 -12.403 1028 HE ARG 44 HE ARG 44 -7.707 39.438 -13.275 1029 1HH1 ARG 44 2HH1 ARG 44 -9.129 36.673 -14.841 1030 2HH1 ARG 44 1HH1 ARG 44 -9.820 37.597 -16.133 1031 1HH2 ARG 44 2HH2 ARG 44 -8.613 40.666 -14.970 1032 2HH2 ARG 44 1HH2 ARG 44 -9.526 39.868 -16.207 1033 H GLU 45 H GLU 45 -4.533 38.258 -10.125 1034 HA GLU 45 HA GLU 45 -3.830 39.278 -8.218 1035 1HB GLU 45 2HB GLU 45 -4.796 36.789 -6.804 1036 2HB GLU 45 3HB GLU 45 -4.559 38.381 -6.098 1037 1HG GLU 45 2HG GLU 45 -6.321 39.195 -7.744 1038 2HG GLU 45 3HG GLU 45 -6.681 37.491 -8.019 1039 H ARG 46 H ARG 46 -2.075 37.403 -9.708 1040 HA ARG 46 HA ARG 46 -0.266 36.525 -7.571 1041 1HB ARG 46 2HB ARG 46 -1.064 35.053 -9.599 1042 2HB ARG 46 3HB ARG 46 0.199 35.917 -10.463 1043 1HG ARG 46 2HG ARG 46 1.891 35.006 -9.158 1044 2HG ARG 46 3HG ARG 46 0.779 34.553 -7.865 1045 1HD ARG 46 2HD ARG 46 -0.083 32.746 -9.091 1046 2HD ARG 46 3HD ARG 46 0.592 33.344 -10.606 1047 HE ARG 46 HE ARG 46 1.910 31.717 -8.658 1048 1HH1 ARG 46 2HH1 ARG 46 2.398 34.132 -11.117 1049 2HH1 ARG 46 1HH1 ARG 46 4.037 33.666 -11.434 1050 1HH2 ARG 46 2HH2 ARG 46 4.066 31.094 -9.066 1051 2HH2 ARG 46 1HH2 ARG 46 4.984 31.937 -10.267 1052 H CYS 47 H CYS 47 2.220 36.712 -8.245 1053 HA CYS 47 HA CYS 47 2.552 39.388 -9.393 1054 1HB CYS 47 2HB CYS 47 2.868 39.438 -6.943 1055 2HB CYS 47 3HB CYS 47 4.103 38.202 -7.067 1056 H GLN 48 H GLN 48 3.657 39.219 -11.221 1057 HA GLN 48 HA GLN 48 5.283 36.854 -11.764 1058 1HB GLN 48 2HB GLN 48 3.518 38.329 -13.319 1059 2HB GLN 48 3HB GLN 48 5.102 38.805 -13.917 1060 1HG GLN 48 2HG GLN 48 4.979 36.996 -15.200 1061 2HG GLN 48 3HG GLN 48 5.336 36.085 -13.733 1062 1HE2 GLN 48 1HE2 GLN 48 3.272 36.355 -16.284 1063 2HE2 GLN 48 2HE2 GLN 48 1.907 35.517 -15.638 1064 H LEU 49 H LEU 49 6.180 38.982 -9.946 1065 HA LEU 49 HA LEU 49 8.635 39.745 -11.384 1066 1HB LEU 49 2HB LEU 49 6.707 41.440 -10.187 1067 2HB LEU 49 3HB LEU 49 8.161 41.509 -9.194 1068 HG LEU 49 HG LEU 49 8.567 41.813 -12.103 1069 1HD1 LEU 49 1HD1 LEU 49 6.669 43.160 -12.087 1070 2HD1 LEU 49 2HD1 LEU 49 7.987 44.297 -11.805 1071 3HD1 LEU 49 3HD1 LEU 49 6.986 43.754 -10.458 1072 1HD2 LEU 49 1HD2 LEU 49 10.530 42.285 -11.129 1073 2HD2 LEU 49 2HD2 LEU 49 9.787 42.619 -9.564 1074 3HD2 LEU 49 3HD2 LEU 49 9.811 43.864 -10.814 1075 H CYS 50 H CYS 50 7.125 38.767 -8.272 1076 HA CYS 50 HA CYS 50 9.813 37.962 -7.440 1077 1HB CYS 50 2HB CYS 50 9.514 38.727 -5.240 1078 2HB CYS 50 3HB CYS 50 8.954 40.052 -6.241 1079 H ASN 51 H ASN 51 7.217 36.860 -8.700 1080 HA ASN 51 HA ASN 51 6.009 34.935 -8.682 1081 1HB ASN 51 2HB ASN 51 8.458 34.248 -7.140 1082 2HB ASN 51 3HB ASN 51 7.109 33.120 -7.048 1083 1HD2 ASN 51 1HD2 ASN 51 9.773 34.126 -8.822 1084 2HD2 ASN 51 2HD2 ASN 51 9.481 33.215 -10.261 1085 H GLY 52 H GLY 52 5.640 37.085 -6.568 1086 1HA GLY 52 1HA GLY 52 4.771 35.854 -4.174 1087 2HA GLY 52 2HA GLY 52 4.317 37.459 -4.727 1088 H MET 53 H MET 53 2.594 35.662 -3.373 1089 HA MET 53 HA MET 53 0.617 35.154 -5.497 1090 1HB MET 53 2HB MET 53 1.696 33.116 -4.287 1091 2HB MET 53 3HB MET 53 0.657 33.574 -2.944 1092 1HG MET 53 2HG MET 53 -1.306 33.284 -4.297 1093 2HG MET 53 3HG MET 53 -0.321 32.983 -5.726 1094 1HE MET 53 1HE MET 53 0.997 29.448 -5.314 1095 2HE MET 53 2HE MET 53 0.452 30.672 -6.463 1096 3HE MET 53 3HE MET 53 1.764 31.036 -5.341 1097 H GLY 54 H GLY 54 -0.590 36.987 -5.275 1098 1HA GLY 54 1HA GLY 54 -2.715 37.285 -3.749 1099 2HA GLY 54 2HA GLY 54 -1.478 37.786 -2.605 1100 H HIS 55 H HIS 55 0.185 39.365 -3.842 1101 HA HIS 55 HA HIS 55 -1.455 41.645 -4.570 1102 1HB HIS 55 2HB HIS 55 0.665 42.913 -4.437 1103 2HB HIS 55 3HB HIS 55 0.347 41.990 -2.970 1104 HD1 HIS 55 HD1 HIS 55 1.735 39.672 -2.785 1105 HD2 HIS 55 HD2 HIS 55 3.096 42.440 -5.568 1106 HE1 HIS 55 HE1 HIS 55 4.093 38.982 -3.322 1107 H ASN 56 H ASN 56 0.008 43.115 -6.256 1108 HA ASN 56 HA ASN 56 0.237 41.436 -8.668 1109 1HB ASN 56 2HB ASN 56 -1.566 43.498 -8.215 1110 2HB ASN 56 3HB ASN 56 -0.303 44.255 -9.181 1111 1HD2 ASN 56 1HD2 ASN 56 -2.884 41.986 -9.122 1112 2HD2 ASN 56 2HD2 ASN 56 -2.879 41.607 -10.807 1113 H ALA 57 H ALA 57 1.819 42.016 -10.215 1114 HA ALA 57 HA ALA 57 4.305 42.749 -9.192 1115 1HB ALA 57 1HB ALA 57 3.198 42.086 -11.786 1116 2HB ALA 57 2HB ALA 57 4.472 43.301 -11.900 1117 3HB ALA 57 3HB ALA 57 4.797 41.752 -11.121 1118 H LYS 58 H LYS 58 1.831 44.685 -10.791 1119 HA LYS 58 HA LYS 58 3.342 47.023 -11.171 1120 1HB LYS 58 2HB LYS 58 0.851 46.265 -11.871 1121 2HB LYS 58 3HB LYS 58 0.465 47.320 -10.518 1122 1HG LYS 58 2HG LYS 58 0.669 49.073 -11.847 1123 2HG LYS 58 3HG LYS 58 2.368 48.670 -12.107 1124 1HD LYS 58 2HD LYS 58 0.135 47.389 -13.666 1125 2HD LYS 58 3HD LYS 58 0.928 48.878 -14.184 1126 1HE LYS 58 2HE LYS 58 2.740 47.783 -14.906 1127 2HE LYS 58 3HE LYS 58 2.809 46.772 -13.463 1128 1HZ LYS 58 1HZ LYS 58 2.410 45.553 -15.582 1129 2HZ LYS 58 2HZ LYS 58 0.904 46.314 -15.690 1130 3HZ LYS 58 3HZ LYS 58 1.237 45.279 -14.393 1131 H GLN 59 H GLN 59 1.979 45.621 -8.339 1132 HA GLN 59 HA GLN 59 2.567 48.083 -6.830 1133 1HB GLN 59 2HB GLN 59 0.153 46.975 -6.930 1134 2HB GLN 59 3HB GLN 59 0.832 45.955 -5.668 1135 1HG GLN 59 2HG GLN 59 1.551 48.379 -4.751 1136 2HG GLN 59 3HG GLN 59 0.065 48.794 -5.606 1137 1HE2 GLN 59 1HE2 GLN 59 -1.779 47.219 -5.139 1138 2HE2 GLN 59 2HE2 GLN 59 -2.005 46.794 -3.480 1139 H CYS 60 H CYS 60 4.235 45.520 -7.650 1140 HA CYS 60 HA CYS 60 4.805 44.481 -5.022 1141 1HB CYS 60 2HB CYS 60 4.732 42.945 -6.943 1142 2HB CYS 60 3HB CYS 60 6.030 43.827 -7.723 1143 H ARG 61 H ARG 61 6.666 44.932 -3.909 1144 HA ARG 61 HA ARG 61 8.377 46.214 -3.121 1145 1HB ARG 61 2HB ARG 61 9.077 45.569 -5.930 1146 2HB ARG 61 3HB ARG 61 10.026 46.830 -5.153 1147 1HG ARG 61 2HG ARG 61 11.166 45.358 -3.937 1148 2HG ARG 61 3HG ARG 61 9.700 44.497 -3.460 1149 1HD ARG 61 2HD ARG 61 9.945 42.941 -5.064 1150 2HD ARG 61 3HD ARG 61 10.479 44.119 -6.261 1151 HE ARG 61 HE ARG 61 12.580 43.877 -4.524 1152 1HH1 ARG 61 2HH1 ARG 61 10.743 41.699 -6.523 1153 2HH1 ARG 61 1HH1 ARG 61 12.066 40.608 -6.776 1154 1HH2 ARG 61 2HH2 ARG 61 14.330 42.451 -4.850 1155 2HH2 ARG 61 1HH2 ARG 61 14.105 41.037 -5.823 1156 H LYS 62 H LYS 62 7.044 47.999 -2.581 1157 HA LYS 62 HA LYS 62 7.766 50.415 -4.002 1158 1HB LYS 62 2HB LYS 62 5.395 49.213 -4.724 1159 2HB LYS 62 3HB LYS 62 4.878 50.371 -3.505 1160 1HG LYS 62 2HG LYS 62 5.217 52.117 -4.852 1161 2HG LYS 62 3HG LYS 62 6.750 51.480 -5.451 1162 1HD LYS 62 2HD LYS 62 5.330 49.830 -6.796 1163 2HD LYS 62 3HD LYS 62 3.966 50.883 -6.412 1164 1HE LYS 62 2HE LYS 62 4.786 52.626 -7.677 1165 2HE LYS 62 3HE LYS 62 6.454 52.073 -7.550 1166 1HZ LYS 62 1HZ LYS 62 5.419 50.059 -8.902 1167 2HZ LYS 62 2HZ LYS 62 6.040 51.436 -9.663 1168 3HZ LYS 62 3HZ LYS 62 4.373 51.279 -9.427 1169 H ARG 63 H ARG 63 5.342 49.326 -1.615 1170 HA ARG 63 HA ARG 63 6.443 51.321 0.253 1171 1HB ARG 63 2HB ARG 63 4.047 51.626 -0.681 1172 2HB ARG 63 3HB ARG 63 3.621 50.302 0.394 1173 1HG ARG 63 2HG ARG 63 3.468 51.701 2.098 1174 2HG ARG 63 3HG ARG 63 5.141 52.210 1.860 1175 1HD ARG 63 2HD ARG 63 3.792 54.160 1.717 1176 2HD ARG 63 3HD ARG 63 4.310 53.768 0.078 1177 HE ARG 63 HE ARG 63 2.122 53.416 -0.487 1178 1HH1 ARG 63 2HH1 ARG 63 2.414 53.410 2.981 1179 2HH1 ARG 63 1HH1 ARG 63 0.704 53.361 3.256 1180 1HH2 ARG 63 2HH2 ARG 63 -0.131 53.353 -0.139 1181 2HH2 ARG 63 1HH2 ARG 63 -0.742 53.329 1.480 1182 H ASP 64 H ASP 64 7.584 48.821 0.133 1183 HA ASP 64 HA ASP 64 7.393 47.960 2.811 1184 1HB ASP 64 2HB ASP 64 5.441 46.823 1.113 1185 2HB ASP 64 3HB ASP 64 6.643 45.568 1.403 Start of MODEL 16 1 1H5* C 160 1H5* C 160 25.045 32.242 -14.790 2 2H5* C 160 2H5* C 160 24.197 30.867 -14.082 3 H4* C 160 H4* C 160 26.220 30.842 -12.971 4 H3* C 160 H3* C 160 24.228 32.341 -11.277 5 H2* C 160 H2* C 160 25.855 32.495 -9.557 6 2HO* C 160 2HO* C 160 27.829 31.217 -9.897 7 H1* C 160 H1* C 160 27.895 33.261 -11.368 8 1H4 C 160 1H4 C 160 25.922 38.718 -8.692 9 2H4 C 160 2H4 C 160 24.591 38.773 -9.827 10 H5 C 160 H5 C 160 24.096 37.045 -11.359 11 H6 C 160 H6 C 160 24.764 34.818 -12.190 12 1H5* U 161 1H5* U 161 25.263 28.801 -8.574 13 2H5* U 161 2H5* U 161 23.753 28.536 -7.701 14 H4* U 161 H4* U 161 25.694 29.022 -6.239 15 H3* U 161 H3* U 161 23.271 30.805 -6.168 16 H2* U 161 H2* U 161 24.213 31.980 -4.328 17 2HO* U 161 2HO* U 161 25.096 30.123 -3.346 18 H1* U 161 H1* U 161 26.710 32.262 -5.582 19 H3 U 161 H3 U 161 24.632 36.373 -5.298 20 H5 U 161 H5 U 161 23.340 34.678 -8.903 21 H6 U 161 H6 U 161 24.387 32.582 -8.179 22 1H5* G 162 1H5* G 162 23.793 29.147 -2.043 23 2H5* G 162 2H5* G 162 22.175 28.748 -1.466 24 H4* G 162 H4* G 162 23.286 30.127 0.156 25 H3* G 162 H3* G 162 20.976 31.389 -1.288 26 H2* G 162 H2* G 162 21.177 33.332 0.076 27 2HO* G 162 2HO* G 162 23.403 32.063 1.352 28 H1* G 162 H1* G 162 23.918 33.580 -0.382 29 H8 G 162 H8 G 162 22.418 32.400 -3.549 30 H1 G 162 H1 G 162 21.544 38.737 -2.571 31 1H2 G 162 1H2 G 162 22.055 39.212 -0.631 32 2H2 G 162 2H2 G 162 22.635 38.064 0.555 33 1H5* C 163 1H5* C 163 20.404 31.924 2.669 34 2H5* C 163 2H5* C 163 18.841 31.429 3.317 35 H4* C 163 H4* C 163 19.115 33.629 4.048 36 H3* C 163 H3* C 163 17.303 33.514 1.651 37 H2* C 163 H2* C 163 16.912 35.851 1.843 38 2HO* C 163 2HO* C 163 17.395 36.813 3.807 39 H1* C 163 H1* C 163 19.632 36.466 2.084 40 1H4 C 163 1H4 C 163 18.448 37.137 -4.150 41 2H4 C 163 2H4 C 163 18.562 35.404 -4.354 42 H5 C 163 H5 C 163 18.837 33.884 -2.566 43 H6 C 163 H6 C 163 19.072 33.653 -0.119 44 1H5* C 164 1H5* C 164 14.990 35.585 4.566 45 2H5* C 164 2H5* C 164 13.338 34.968 4.559 46 H4* C 164 H4* C 164 13.287 37.332 4.181 47 H3* C 164 H3* C 164 12.575 35.650 1.789 48 H2* C 164 H2* C 164 12.002 37.626 0.595 49 2HO* C 164 2HO* C 164 12.702 39.422 2.574 50 H1* C 164 H1* C 164 14.375 38.942 1.350 51 1H4 C 164 1H4 C 164 15.649 36.592 -4.447 52 2H4 C 164 2H4 C 164 15.950 35.022 -3.736 53 H5 C 164 H5 C 164 15.611 34.525 -1.452 54 H6 C 164 H6 C 164 14.892 35.421 0.734 55 1H5* C 165 1H5* C 165 9.828 38.372 2.947 56 2H5* C 165 2H5* C 165 8.083 38.152 2.814 57 H4* C 165 H4* C 165 8.700 40.156 1.661 58 H3* C 165 H3* C 165 7.799 37.879 -0.067 59 H2* C 165 H2* C 165 8.032 39.210 -2.017 60 2HO* C 165 2HO* C 165 8.993 41.504 -0.944 61 H1* C 165 H1* C 165 10.584 40.154 -1.242 62 1H4 C 165 1H4 C 165 11.679 35.412 -5.394 63 2H4 C 165 2H4 C 165 11.606 34.274 -4.068 64 H5 C 165 H5 C 165 11.009 34.863 -1.860 65 H6 C 165 H6 C 165 10.328 36.709 -0.368 66 1H5* U 166 1H5* U 166 5.261 41.087 -1.445 67 2H5* U 166 2H5* U 166 3.604 40.507 -1.273 68 H4* U 166 H4* U 166 3.777 41.246 -3.488 69 H3* U 166 H3* U 166 3.934 38.250 -3.299 70 H2* U 166 H2* U 166 4.003 38.102 -5.669 71 2HO* U 166 2HO* U 166 3.622 40.121 -6.839 72 H1* U 166 H1* U 166 5.995 40.047 -5.921 73 H3 U 166 H3 U 166 7.998 36.071 -6.930 74 H5 U 166 H5 U 166 7.973 36.216 -2.745 75 H6 U 166 H6 U 166 6.555 38.208 -2.921 76 1H5* C 167 1H5* C 167 0.074 38.633 -6.209 77 2H5* C 167 2H5* C 167 -0.717 37.252 -5.448 78 H4* C 167 H4* C 167 -0.388 37.067 -7.921 79 H3* C 167 H3* C 167 0.667 34.971 -6.038 80 H2* C 167 H2* C 167 1.302 33.639 -7.905 81 2HO* C 167 2HO* C 167 0.076 33.965 -9.671 82 H1* C 167 H1* C 167 2.566 35.783 -9.203 83 1H4 C 167 1H4 C 167 7.168 32.663 -6.021 84 2H4 C 167 2H4 C 167 6.898 33.736 -4.666 85 H5 C 167 H5 C 167 5.146 35.318 -4.569 86 H6 C 167 H6 C 167 3.205 36.269 -5.762 87 1H5* A 168 1H5* A 168 -4.692 33.276 -6.982 88 2H5* A 168 2H5* A 168 -3.998 32.671 -5.478 89 H4* A 168 H4* A 168 -3.410 30.581 -7.016 90 H3* A 168 H3* A 168 -5.632 31.951 -8.512 91 H2* A 168 H2* A 168 -6.695 29.909 -8.882 92 2HO* A 168 2HO* A 168 -5.371 28.001 -8.800 93 H1* A 168 H1* A 168 -5.723 28.899 -6.296 94 H8 A 168 H8 A 168 -8.363 28.685 -8.160 95 1H6 A 168 1H6 A 168 -12.387 30.852 -3.910 96 2H6 A 168 2H6 A 168 -12.251 29.953 -5.405 97 H2 A 168 H2 A 168 -8.288 32.045 -2.678 98 1H5* U 169 1H5* U 169 -4.304 31.241 -13.336 99 2H5* U 169 2H5* U 169 -2.782 31.273 -12.445 100 H4* U 169 H4* U 169 -2.282 33.420 -13.086 101 H3* U 169 H3* U 169 -5.246 33.917 -13.298 102 H2* U 169 H2* U 169 -4.813 35.734 -14.753 103 2HO* U 169 2HO* U 169 -2.894 36.732 -14.441 104 H1* U 169 H1* U 169 -2.861 34.241 -16.209 105 H3 U 169 H3 U 169 -5.553 33.465 -19.698 106 H5 U 169 H5 U 169 -8.267 33.823 -16.529 107 H6 U 169 H6 U 169 -6.338 34.052 -15.032 108 1H5* C 170 1H5* C 170 -6.187 33.459 -10.723 109 2H5* C 170 2H5* C 170 -7.318 34.676 -11.314 110 H4* C 170 H4* C 170 -8.303 33.665 -9.412 111 H3* C 170 H3* C 170 -7.253 36.434 -8.863 112 H2* C 170 H2* C 170 -8.189 36.342 -6.692 113 2HO* C 170 2HO* C 170 -9.956 35.063 -6.479 114 H1* C 170 H1* C 170 -7.285 33.637 -6.337 115 1H4 C 170 1H4 C 170 -3.393 37.162 -2.702 116 2H4 C 170 2H4 C 170 -2.499 37.626 -4.132 117 H5 C 170 H5 C 170 -3.136 37.043 -6.330 118 H6 C 170 H6 C 170 -4.806 35.858 -7.711 119 1H5* C 171 1H5* C 171 -10.663 36.867 -6.974 120 2H5* C 171 2H5* C 171 -11.611 38.078 -7.838 121 H4* C 171 H4* C 171 -11.600 38.881 -5.671 122 H3* C 171 H3* C 171 -9.401 40.242 -7.216 123 H2* C 171 H2* C 171 -8.970 41.621 -5.329 124 2HO* C 171 2HO* C 171 -11.194 41.839 -4.802 125 H1* C 171 H1* C 171 -8.992 39.435 -3.548 126 1H4 C 171 1H4 C 171 -2.786 40.270 -4.720 127 2H4 C 171 2H4 C 171 -2.992 39.632 -6.337 128 H5 C 171 H5 C 171 -5.082 39.023 -7.253 129 H6 C 171 H6 C 171 -7.512 38.875 -6.841 130 1H5* G 172 1H5* G 172 -12.303 43.608 -6.028 131 2H5* G 172 2H5* G 172 -12.056 44.860 -7.245 132 H4* G 172 H4* G 172 -11.641 45.622 -4.926 133 H3* G 172 H3* G 172 -9.454 45.775 -6.983 134 H2* G 172 H2* G 172 -8.066 46.906 -5.412 135 2HO* G 172 2HO* G 172 -9.435 46.994 -3.190 136 H1* G 172 H1* G 172 -8.514 45.019 -3.403 137 H8 G 172 H8 G 172 -8.328 43.306 -6.712 138 H1 G 172 H1 G 172 -2.527 44.567 -4.134 139 1H2 G 172 1H2 G 172 -2.753 45.811 -2.505 140 2H2 G 172 2H2 G 172 -4.286 46.421 -1.924 141 1H5* U 173 1H5* U 173 -9.877 49.812 -5.574 142 2H5* U 173 2H5* U 173 -9.851 50.922 -6.944 143 H4* U 173 H4* U 173 -8.147 51.571 -5.398 144 H3* U 173 H3* U 173 -7.132 50.361 -7.958 145 H2* U 173 H2* U 173 -4.904 50.859 -7.296 146 2HO* U 173 2HO* U 173 -5.757 51.942 -4.834 147 H1* U 173 H1* U 173 -5.265 49.799 -4.717 148 H3 U 173 H3 U 173 -2.394 46.987 -6.903 149 H5 U 173 H5 U 173 -6.216 45.818 -8.157 150 H6 U 173 H6 U 173 -7.089 47.809 -7.023 151 1H5* C 174 1H5* C 174 -4.989 54.378 -8.025 152 2H5* C 174 2H5* C 174 -5.373 54.877 -9.672 153 H4* C 174 H4* C 174 -2.996 54.980 -9.338 154 H3* C 174 H3* C 174 -3.956 52.821 -11.199 155 H2* C 174 H2* C 174 -1.700 52.278 -11.718 156 2HO* C 174 2HO* C 174 -0.555 54.126 -11.696 157 H1* C 174 H1* C 174 -0.943 52.269 -8.994 158 1H4 C 174 1H4 C 174 -1.890 46.143 -10.602 159 2H4 C 174 2H4 C 174 -3.565 46.321 -10.130 160 H5 C 174 H5 C 174 -4.546 48.378 -9.508 161 H6 C 174 H6 C 174 -4.157 50.794 -9.180 162 1H5* U 175 1H5* U 175 -4.804 54.239 -15.138 163 2H5* U 175 2H5* U 175 -3.052 54.383 -14.994 164 H4* U 175 H4* U 175 -3.580 55.294 -17.086 165 H3* U 175 H3* U 175 -3.102 57.461 -15.048 166 H2* U 175 H2* U 175 -3.293 59.085 -16.765 167 2HO* U 175 2HO* U 175 -3.787 57.619 -18.937 168 H1* U 175 H1* U 175 -5.590 57.795 -17.864 169 H3 U 175 H3 U 175 -6.807 62.016 -16.495 170 H5 U 175 H5 U 175 -7.023 59.614 -13.070 171 H6 U 175 H6 U 175 -5.931 57.842 -14.364 172 1H5* C 176 1H5* C 176 -0.209 55.008 -13.991 173 2H5* C 176 2H5* C 176 0.687 56.372 -13.326 174 H4* C 176 H4* C 176 2.763 55.467 -13.938 175 H3* C 176 H3* C 176 1.252 53.796 -15.913 176 H2* C 176 H2* C 176 2.866 52.062 -15.744 177 2HO* C 176 2HO* C 176 4.622 53.540 -15.598 178 H1* C 176 H1* C 176 2.867 52.129 -12.925 179 1H4 C 176 1H4 C 176 -1.056 47.353 -14.611 180 2H4 C 176 2H4 C 176 -2.383 48.491 -14.576 181 H5 C 176 H5 C 176 -2.114 50.816 -14.260 182 H6 C 176 H6 C 176 -0.489 52.639 -13.895 183 1H5* G 177 1H5* G 177 5.424 53.906 -17.904 184 2H5* G 177 2H5* G 177 4.927 54.441 -19.509 185 H4* G 177 H4* G 177 6.301 52.473 -19.694 186 H3* G 177 H3* G 177 3.408 52.150 -20.434 187 H2* G 177 H2* G 177 3.833 49.910 -21.125 188 2HO* G 177 2HO* G 177 6.277 49.358 -20.732 189 H1* G 177 H1* G 177 5.158 49.249 -18.761 190 H8 G 177 H8 G 177 2.365 51.543 -17.909 191 H1 G 177 H1 G 177 0.446 45.427 -18.790 192 1H2 G 177 1H2 G 177 1.988 44.334 -19.616 193 2H2 G 177 2H2 G 177 3.566 44.978 -20.009 194 1H5* C 178 1H5* C 178 5.681 50.683 -23.555 195 2H5* C 178 2H5* C 178 5.173 51.243 -25.149 196 H4* C 178 H4* C 178 5.250 48.877 -25.227 197 H3* C 178 H3* C 178 2.479 50.017 -25.183 198 H2* C 178 H2* C 178 1.537 47.846 -25.328 199 2HO* C 178 2HO* C 178 3.831 46.367 -25.297 200 H1* C 178 H1* C 178 3.269 46.817 -23.329 201 1H4 C 178 1H4 C 178 -2.236 47.883 -20.279 202 2H4 C 178 2H4 C 178 -1.850 49.587 -20.193 203 H5 C 178 H5 C 178 0.040 50.562 -21.222 204 H6 C 178 H6 C 178 2.045 50.135 -22.599 205 1H5* U 179 1H5* U 179 2.615 47.465 -28.977 206 2H5* U 179 2H5* U 179 1.518 48.294 -30.082 207 H4* U 179 H4* U 179 0.924 45.922 -29.619 208 H3* U 179 H3* U 179 -1.032 48.135 -29.051 209 H2* U 179 H2* U 179 -2.684 46.524 -28.491 210 2HO* U 179 2HO* U 179 -0.826 44.435 -29.017 211 H1* U 179 H1* U 179 -0.933 45.056 -26.850 212 H3 U 179 H3 U 179 -4.143 47.053 -24.221 213 H5 U 179 H5 U 179 -1.098 49.897 -24.649 214 H6 U 179 H6 U 179 -0.100 48.428 -26.340 215 1H5* U 180 1H5* U 180 -2.872 45.490 -31.302 216 2H5* U 180 2H5* U 180 -3.838 46.016 -32.681 217 H4* U 180 H4* U 180 -5.262 44.763 -31.263 218 H3* U 180 H3* U 180 -5.764 47.719 -31.204 219 H2* U 180 H2* U 180 -7.564 47.424 -29.691 220 2HO* U 180 2HO* U 180 -8.582 45.561 -30.143 221 H1* U 180 H1* U 180 -6.071 45.631 -28.067 222 H3 U 180 H3 U 180 -6.673 49.115 -25.249 223 H5 U 180 H5 U 180 -3.966 50.595 -28.081 224 H6 U 180 H6 U 180 -4.297 48.515 -29.338 225 1H5* A 181 1H5* A 181 -9.108 46.677 -34.570 226 2H5* A 181 2H5* A 181 -9.214 48.305 -35.241 227 H4* A 181 H4* A 181 -11.235 47.478 -33.976 228 H3* A 181 H3* A 181 -9.889 50.093 -33.334 229 H2* A 181 H2* A 181 -11.617 50.583 -31.781 230 2HO* A 181 2HO* A 181 -13.537 49.658 -32.243 231 H1* A 181 H1* A 181 -11.502 48.046 -30.587 232 H8 A 181 H8 A 181 -8.105 49.368 -31.486 233 1H6 A 181 1H6 A 181 -8.047 52.061 -25.857 234 2H6 A 181 2H6 A 181 -7.076 51.705 -27.267 235 H2 A 181 H2 A 181 -12.109 50.409 -26.565 236 1H5* U 182 1H5* U 182 -13.921 51.418 -36.170 237 2H5* U 182 2H5* U 182 -13.435 49.931 -36.985 238 H4* U 182 H4* U 182 -13.580 52.717 -38.141 239 H3* U 182 H3* U 182 -15.111 50.163 -38.645 240 H2* U 182 H2* U 182 -15.543 50.918 -40.842 241 2HO* U 182 2HO* U 182 -15.952 53.054 -40.654 242 H1* U 182 H1* U 182 -12.855 51.898 -41.120 243 H3 U 182 H3 U 182 -13.428 48.835 -44.466 244 H5 U 182 H5 U 182 -12.776 46.551 -41.016 245 H6 U 182 H6 U 182 -12.944 48.630 -39.727 246 1H5* U 183 1H5* U 183 -17.268 52.076 -35.831 247 2H5* U 183 2H5* U 183 -18.978 51.645 -35.868 248 H4* U 183 H4* U 183 -17.805 54.421 -35.619 249 H3* U 183 H3* U 183 -19.137 52.566 -33.659 250 H2* U 183 H2* U 183 -20.030 54.443 -32.510 251 2HO* U 183 2HO* U 183 -18.837 56.230 -34.353 252 H1* U 183 H1* U 183 -20.881 55.671 -34.915 253 H3 U 183 H3 U 183 -24.811 54.698 -32.889 254 H5 U 183 H5 U 183 -23.387 50.966 -34.145 255 H6 U 183 H6 U 183 -21.307 52.089 -34.796 256 1H5* C 184 1H5* C 184 -16.098 53.873 -29.620 257 2H5* C 184 2H5* C 184 -16.022 55.201 -30.777 258 H4* C 184 H4* C 184 -13.862 53.829 -29.304 259 H3* C 184 H3* C 184 -14.377 56.628 -30.311 260 H2* C 184 H2* C 184 -12.101 57.090 -30.161 261 2HO* C 184 2HO* C 184 -11.031 55.098 -28.819 262 H1* C 184 H1* C 184 -11.474 54.260 -30.732 263 1H4 C 184 1H4 C 184 -10.381 58.316 -35.944 264 2H4 C 184 2H4 C 184 -8.949 57.326 -35.780 265 H5 C 184 H5 C 184 -8.663 55.694 -34.097 266 H6 C 184 H6 C 184 -9.690 54.601 -32.136 267 1H5* G 185 1H5* G 185 -14.019 59.226 -25.950 268 2H5* G 185 2H5* G 185 -13.509 60.402 -27.162 269 H4* G 185 H4* G 185 -11.677 58.398 -25.825 270 H3* G 185 H3* G 185 -12.380 61.215 -25.075 271 H2* G 185 H2* G 185 -10.125 61.631 -24.429 272 2HO* G 185 2HO* G 185 -8.951 59.859 -23.896 273 H1* G 185 H1* G 185 -9.077 60.639 -26.817 274 H8 G 185 H8 G 185 -12.313 62.688 -26.562 275 H1 G 185 H1 G 185 -7.108 65.930 -28.633 276 1H2 G 185 1H2 G 185 -5.465 64.684 -28.604 277 2H2 G 185 2H2 G 185 -5.492 63.011 -28.095 278 1H5* G 186 1H5* G 186 -11.908 59.206 -19.260 279 2H5* G 186 2H5* G 186 -11.025 60.503 -20.066 280 H4* G 186 H4* G 186 -10.554 57.548 -20.523 281 H3* G 186 H3* G 186 -9.334 59.435 -18.557 282 H2* G 186 H2* G 186 -7.154 58.563 -18.957 283 2HO* G 186 2HO* G 186 -7.199 56.755 -20.667 284 H1* G 186 H1* G 186 -7.369 58.827 -21.727 285 H8 G 186 H8 G 186 -8.959 61.509 -19.541 286 H1 G 186 H1 G 186 -2.912 62.782 -21.465 287 1H2 G 186 1H2 G 186 -2.144 61.143 -22.451 288 2H2 G 186 2H2 G 186 -3.009 59.646 -22.718 289 1H5* G 187 1H5* G 187 -10.152 54.454 -15.372 290 2H5* G 187 2H5* G 187 -9.253 54.726 -16.864 291 H4* G 187 H4* G 187 -12.257 54.816 -16.513 292 H3* G 187 H3* G 187 -10.388 52.772 -17.665 293 H2* G 187 H2* G 187 -11.999 52.204 -19.326 294 2HO* G 187 2HO* G 187 -14.058 53.631 -19.062 295 H1* G 187 H1* G 187 -12.410 54.857 -20.082 296 H8 G 187 H8 G 187 -8.819 54.630 -19.333 297 H1 G 187 H1 G 187 -10.316 51.978 -25.044 298 1H2 G 187 1H2 G 187 -12.362 51.773 -25.193 299 2H2 G 187 2H2 G 187 -13.503 52.248 -23.954 300 1H5* G 188 1H5* G 188 -14.106 50.969 -18.092 301 2H5* G 188 2H5* G 188 -14.085 49.637 -16.937 302 H4* G 188 H4* G 188 -14.916 48.653 -18.857 303 H3* G 188 H3* G 188 -11.964 48.120 -18.656 304 H2* G 188 H2* G 188 -12.085 46.761 -20.611 305 2HO* G 188 2HO* G 188 -14.060 45.796 -20.349 306 H1* G 188 H1* G 188 -13.474 48.697 -22.071 307 H8 G 188 H8 G 188 -11.064 50.585 -20.041 308 H1 G 188 H1 G 188 -8.267 47.668 -25.095 309 1H2 G 188 1H2 G 188 -9.581 46.311 -25.922 310 2H2 G 188 2H2 G 188 -11.200 46.008 -25.333 311 1H5* A 189 1H5* A 189 -13.348 43.703 -19.230 312 2H5* A 189 2H5* A 189 -12.224 43.044 -18.044 313 H4* A 189 H4* A 189 -12.012 42.163 -20.398 314 H3* A 189 H3* A 189 -9.667 43.307 -18.896 315 H2* A 189 H2* A 189 -8.236 42.641 -20.669 316 2HO* A 189 2HO* A 189 -10.381 41.585 -22.164 317 H1* A 189 H1* A 189 -9.936 43.682 -22.653 318 H8 A 189 H8 A 189 -9.736 45.917 -19.653 319 1H6 A 189 1H6 A 189 -4.772 48.553 -22.366 320 2H6 A 189 2H6 A 189 -5.898 48.688 -21.034 321 H2 A 189 H2 A 189 -5.885 44.946 -24.710 322 1H5* G 190 1H5* G 190 -8.710 39.463 -20.373 323 2H5* G 190 2H5* G 190 -8.088 38.434 -19.082 324 H4* G 190 H4* G 190 -6.593 38.164 -20.864 325 H3* G 190 H3* G 190 -5.499 39.997 -18.751 326 H2* G 190 H2* G 190 -3.448 40.166 -19.952 327 2HO* G 190 2HO* G 190 -3.552 38.810 -22.063 328 H1* G 190 H1* G 190 -4.711 40.776 -22.364 329 H8 G 190 H8 G 190 -6.580 42.381 -19.567 330 H1 G 190 H1 G 190 -1.372 45.740 -21.436 331 1H2 G 190 1H2 G 190 -0.237 44.592 -22.720 332 2H2 G 190 2H2 G 190 -0.637 42.964 -23.217 333 1H5* C 191 1H5* C 191 -2.524 36.904 -19.408 334 2H5* C 191 2H5* C 191 -1.681 36.548 -17.900 335 H4* C 191 H4* C 191 -0.141 37.276 -19.646 336 H3* C 191 H3* C 191 -0.429 39.007 -17.203 337 H2* C 191 H2* C 191 1.308 40.419 -18.000 338 2HO* C 191 2HO* C 191 2.332 39.620 -20.070 339 H1* C 191 H1* C 191 0.196 40.580 -20.584 340 1H4 C 191 1H4 C 191 -1.779 45.855 -17.556 341 2H4 C 191 2H4 C 191 -3.133 44.950 -16.919 342 H5 C 191 H5 C 191 -3.414 42.623 -17.208 343 H6 C 191 H6 C 191 -2.453 40.571 -18.190 344 1H5* G 192 1H5* G 192 3.953 38.399 -17.540 345 2H5* G 192 2H5* G 192 4.338 37.684 -15.975 346 H4* G 192 H4* G 192 5.886 39.428 -16.309 347 H3* G 192 H3* G 192 3.734 40.131 -14.337 348 H2* G 192 H2* G 192 4.798 42.220 -13.910 349 2HO* G 192 2HO* G 192 6.793 41.891 -15.819 350 H1* G 192 H1* G 192 5.014 42.858 -16.617 351 H8 G 192 H8 G 192 1.798 41.067 -16.042 352 H1 G 192 H1 G 192 1.529 47.361 -14.561 353 1H2 G 192 1H2 G 192 3.432 48.154 -14.575 354 2H2 G 192 2H2 G 192 4.886 47.248 -14.935 355 1H5* G 193 1H5* G 193 7.713 41.075 -12.477 356 2H5* G 193 2H5* G 193 7.504 40.779 -10.752 357 H4* G 193 H4* G 193 8.262 43.082 -11.337 358 H3* G 193 H3* G 193 5.768 42.620 -9.727 359 H2* G 193 H2* G 193 5.531 44.972 -9.424 360 2HO* G 193 2HO* G 193 7.490 46.027 -10.827 361 H1* G 193 H1* G 193 5.832 45.526 -12.143 362 H8 G 193 H8 G 193 3.921 42.373 -11.931 363 H1 G 193 H1 G 193 0.275 47.586 -10.745 364 1H2 G 193 1H2 G 193 1.489 49.233 -10.491 365 2H2 G 193 2H2 G 193 3.236 49.205 -10.586 366 1H5* A 194 1H5* A 194 7.959 45.392 -7.330 367 2H5* A 194 2H5* A 194 8.369 44.520 -5.853 368 H4* A 194 H4* A 194 7.569 46.584 -5.117 369 H3* A 194 H3* A 194 5.525 44.420 -4.835 370 H2* A 194 H2* A 194 3.934 45.946 -3.950 371 2HO* A 194 2HO* A 194 5.413 47.157 -2.736 372 H1* A 194 H1* A 194 4.364 47.837 -5.982 373 H8 A 194 H8 A 194 4.397 44.297 -7.240 374 1H6 A 194 1H6 A 194 -1.768 44.889 -8.009 375 2H6 A 194 2H6 A 194 -0.394 43.853 -8.323 376 H2 A 194 H2 A 194 -0.290 48.467 -5.827 377 1H5* C 195 1H5* C 195 5.802 46.018 -0.656 378 2H5* C 195 2H5* C 195 5.483 44.642 0.400 379 H4* C 195 H4* C 195 3.852 46.502 0.624 380 H3* C 195 H3* C 195 2.909 43.746 -0.141 381 H2* C 195 H2* C 195 0.662 44.489 0.025 382 2HO* C 195 2HO* C 195 1.098 47.103 0.664 383 H1* C 195 H1* C 195 1.187 46.860 -1.425 384 1H4 C 195 1H4 C 195 -1.360 42.863 -5.706 385 2H4 C 195 2H4 C 195 0.202 42.101 -5.904 386 H5 C 195 H5 C 195 2.100 42.634 -4.604 387 H6 C 195 H6 C 195 2.975 44.043 -2.775 388 1H5* G 196 1H5* G 196 2.353 43.091 4.636 389 2H5* G 196 2H5* G 196 2.671 41.357 4.599 390 H4* G 196 H4* G 196 0.358 42.000 5.294 391 H3* G 196 H3* G 196 0.848 40.127 2.996 392 H2* G 196 H2* G 196 -1.499 39.763 2.799 393 2HO* G 196 2HO* G 196 -2.772 41.033 4.506 394 H1* G 196 H1* G 196 -2.092 42.492 2.800 395 H8 G 196 H8 G 196 1.079 41.977 0.929 396 H1 G 196 H1 G 196 -4.195 40.690 -2.594 397 1H2 G 196 1H2 G 196 -5.850 40.650 -1.365 398 2H2 G 196 2H2 G 196 -5.815 40.925 0.362 399 1H5* A 197 1H5* A 197 2.507 36.302 6.785 400 2H5* A 197 2H5* A 197 1.684 35.655 5.366 401 H4* A 197 H4* A 197 1.085 35.325 8.210 402 H3* A 197 H3* A 197 0.522 33.790 5.674 403 H2* A 197 H2* A 197 -1.203 32.680 6.722 404 2HO* A 197 2HO* A 197 -0.273 33.350 9.309 405 H1* A 197 H1* A 197 -1.424 34.916 8.696 406 H8 A 197 H8 A 197 -2.643 34.529 5.082 407 1H6 A 197 1H6 A 197 -8.375 34.454 7.550 408 2H6 A 197 2H6 A 197 -7.478 34.426 6.048 409 H2 A 197 H2 A 197 -5.434 34.656 10.874 410 1H5* U 198 1H5* U 198 4.553 32.537 6.738 411 2H5* U 198 2H5* U 198 5.099 30.861 6.741 412 H4* U 198 H4* U 198 4.552 32.295 9.327 413 H3* U 198 H3* U 198 7.011 32.595 7.601 414 H2* U 198 H2* U 198 8.337 32.509 9.483 415 2HO* U 198 2HO* U 198 7.018 33.144 11.549 416 H1* U 198 H1* U 198 6.143 31.075 10.930 417 H3 U 198 H3 U 198 8.554 26.920 10.193 418 H5 U 198 H5 U 198 11.101 30.022 11.390 419 H6 U 198 H6 U 198 9.255 31.575 10.945 420 1H5* G 199 1H5* G 199 7.137 36.292 5.176 421 2H5* G 199 2H5* G 199 8.752 35.929 5.786 422 H4* G 199 H4* G 199 8.569 38.282 5.302 423 H3* G 199 H3* G 199 8.817 37.546 8.208 424 H2* G 199 H2* G 199 8.966 39.858 8.766 425 2HO* G 199 2HO* G 199 10.049 40.804 7.125 426 H1* G 199 H1* G 199 6.719 40.537 7.244 427 H8 G 199 H8 G 199 6.992 37.328 9.328 428 H1 G 199 H1 G 199 3.560 42.112 12.014 429 1H2 G 199 1H2 G 199 3.631 43.777 10.799 430 2H2 G 199 2H2 G 199 4.492 43.864 9.279 431 1H5* A 200 1H5* A 200 9.793 37.880 10.526 432 2H5* A 200 2H5* A 200 11.482 38.238 10.887 433 H4* A 200 H4* A 200 10.941 36.569 12.404 434 H3* A 200 H3* A 200 12.469 35.514 10.083 435 H2* A 200 H2* A 200 12.256 33.258 10.804 436 2HO* A 200 2HO* A 200 10.694 33.473 12.957 437 H1* A 200 H1* A 200 9.546 33.291 11.048 438 H8 A 200 H8 A 200 9.500 35.687 8.445 439 1H6 A 200 1H6 A 200 11.267 31.343 4.326 440 2H6 A 200 2H6 A 200 10.597 32.951 4.490 441 H2 A 200 H2 A 200 11.977 29.754 8.413 442 1H5* C 201 1H5* C 201 16.133 34.459 13.276 443 2H5* C 201 2H5* C 201 16.183 32.939 12.382 444 H4* C 201 H4* C 201 13.799 34.250 13.689 445 H3* C 201 H3* C 201 15.385 31.757 14.233 446 H2* C 201 H2* C 201 13.426 30.693 15.071 447 2HO* C 201 2HO* C 201 11.499 32.443 14.725 448 H1* C 201 H1* C 201 11.893 31.472 12.838 449 1H4 C 201 1H4 C 201 13.891 25.464 11.777 450 2H4 C 201 2H4 C 201 15.197 26.137 10.826 451 H5 C 201 H5 C 201 15.661 28.448 10.676 452 H6 C 201 H6 C 201 14.980 30.704 11.410 453 1H5* C 202 1H5* C 202 13.013 32.889 17.323 454 2H5* C 202 2H5* C 202 13.605 32.804 18.982 455 H4* C 202 H4* C 202 11.541 31.631 18.888 456 H3* C 202 H3* C 202 13.955 29.865 19.164 457 H2* C 202 H2* C 202 12.560 27.953 19.317 458 2HO* C 202 2HO* C 202 10.823 28.617 20.468 459 H1* C 202 H1* C 202 10.968 28.768 17.120 460 1H4 C 202 1H4 C 202 15.051 24.430 14.787 461 2H4 C 202 2H4 C 202 16.218 25.708 14.535 462 H5 C 202 H5 C 202 15.907 27.935 15.258 463 H6 C 202 H6 C 202 14.382 29.500 16.410 464 1H5* C 203 1H5* C 203 11.751 28.957 23.122 465 2H5* C 203 2H5* C 203 13.083 28.477 24.174 466 H4* C 203 H4* C 203 11.349 26.720 23.789 467 H3* C 203 H3* C 203 14.248 26.207 23.162 468 H2* C 203 H2* C 203 13.724 23.933 22.704 469 2HO* C 203 2HO* C 203 11.713 23.162 23.424 470 H1* C 203 H1* C 203 11.534 24.603 21.076 471 1H4 C 203 1H4 C 203 16.429 23.709 17.057 472 2H4 C 203 2H4 C 203 16.875 25.386 17.273 473 H5 C 203 H5 C 203 15.834 26.837 18.819 474 H6 C 203 H6 C 203 14.089 27.037 20.555 475 1H5* U 204 1H5* U 204 12.771 23.365 25.557 476 2H5* U 204 2H5* U 204 13.663 22.899 27.005 477 H4* U 204 H4* U 204 13.162 20.910 25.826 478 H3* U 204 H3* U 204 16.044 21.733 25.615 479 H2* U 204 H2* U 204 16.527 19.735 24.415 480 2HO* U 204 2HO* U 204 14.966 18.090 24.461 481 H1* U 204 H1* U 204 14.419 20.086 22.623 482 H3 U 204 H3 U 204 18.377 20.917 20.431 483 H5 U 204 H5 U 204 17.260 24.565 22.159 484 H6 U 204 H6 U 204 15.515 23.343 23.373 485 1H5* A 205 1H5* A 205 16.507 18.694 29.213 486 2H5* A 205 2H5* A 205 18.091 19.158 29.833 487 H4* A 205 H4* A 205 17.939 17.010 28.474 488 H3* A 205 H3* A 205 19.967 19.174 27.945 489 H2* A 205 H2* A 205 20.997 17.781 26.320 490 2HO* A 205 2HO* A 205 20.524 15.579 26.395 491 H1* A 205 H1* A 205 18.561 17.111 25.095 492 H8 A 205 H8 A 205 18.350 20.684 25.974 493 1H6 A 205 1H6 A 205 21.550 21.930 20.762 494 2H6 A 205 2H6 A 205 20.612 22.644 22.055 495 H2 A 205 H2 A 205 21.704 17.547 21.474 496 1H5* G 206 1H5* G 206 22.964 18.133 26.408 497 2H5* G 206 2H5* G 206 24.116 17.967 27.732 498 H4* G 206 H4* G 206 23.199 20.535 26.424 499 H3* G 206 H3* G 206 25.663 18.876 26.166 500 H2* G 206 H2* G 206 27.063 20.804 26.107 501 2HO* G 206 2HO* G 206 25.415 22.822 26.518 502 H1* G 206 H1* G 206 25.946 21.901 28.415 503 H8 G 206 H8 G 206 26.131 18.177 28.708 504 H1 G 206 H1 G 206 31.665 21.177 30.210 505 1H2 G 206 1H2 G 206 31.534 23.166 29.686 506 2H2 G 206 2H2 G 206 30.133 23.912 28.949 507 1H5* U 207 1H5* U 207 24.480 20.474 21.301 508 2H5* U 207 2H5* U 207 26.104 20.697 20.650 509 H4* U 207 H4* U 207 24.401 22.538 20.223 510 H3* U 207 H3* U 207 27.162 23.039 21.307 511 H2* U 207 H2* U 207 26.773 25.379 21.192 512 2HO* U 207 2HO* U 207 24.521 25.875 20.229 513 H1* U 207 H1* U 207 24.271 25.217 22.434 514 H3 U 207 H3 U 207 26.574 27.032 25.838 515 H5 U 207 H5 U 207 28.298 23.233 25.463 516 H6 U 207 H6 U 207 26.891 22.898 23.483 517 1H5* A 208 1H5* A 208 29.250 25.126 16.827 518 2H5* A 208 2H5* A 208 28.047 25.016 15.543 519 H4* A 208 H4* A 208 30.045 23.932 14.811 520 H3* A 208 H3* A 208 27.697 22.166 15.344 521 H2* A 208 H2* A 208 28.931 20.215 14.779 522 2HO* A 208 2HO* A 208 30.047 21.443 13.103 523 H1* A 208 H1* A 208 31.098 20.891 16.416 524 H8 A 208 H8 A 208 27.446 21.499 17.407 525 1H6 A 208 1H6 A 208 28.065 16.376 20.919 526 2H6 A 208 2H6 A 208 26.972 17.670 20.478 527 H2 A 208 H2 A 208 31.845 16.981 18.664 528 1H5* G 209 1H5* G 209 27.805 21.308 11.713 529 2H5* G 209 2H5* G 209 26.270 21.006 10.898 530 H4* G 209 H4* G 209 27.170 19.041 12.107 531 H3* G 209 H3* G 209 24.461 20.143 12.794 532 H2* G 209 H2* G 209 24.113 18.343 14.316 533 2HO* G 209 2HO* G 209 26.728 17.389 13.683 534 H1* G 209 H1* G 209 26.581 18.718 15.577 535 H8 G 209 H8 G 209 25.150 22.038 14.685 536 H1 G 209 H1 G 209 22.696 19.574 20.144 537 1H2 G 209 1H2 G 209 23.283 17.607 20.336 538 2H2 G 209 2H2 G 209 24.290 16.752 19.190 539 1H5* A 210 1H5* A 210 24.113 15.828 12.913 540 2H5* A 210 2H5* A 210 22.753 15.497 11.840 541 H4* A 210 H4* A 210 22.370 14.404 13.934 542 H3* A 210 H3* A 210 20.589 16.773 13.403 543 H2* A 210 H2* A 210 19.360 16.265 15.372 544 2HO* A 210 2HO* A 210 20.149 14.197 16.465 545 H1* A 210 H1* A 210 21.670 15.936 16.935 546 H8 A 210 H8 A 210 21.999 18.785 14.521 547 1H6 A 210 1H6 A 210 19.405 22.369 18.922 548 2H6 A 210 2H6 A 210 20.204 22.390 17.366 549 H2 A 210 H2 A 210 19.115 18.133 20.231 550 1H5* G 211 1H5* G 211 17.668 13.137 14.207 551 2H5* G 211 2H5* G 211 16.405 13.597 13.064 552 H4* G 211 H4* G 211 15.634 13.223 15.413 553 H3* G 211 H3* G 211 15.101 15.802 13.966 554 H2* G 211 H2* G 211 13.795 16.563 15.807 555 2HO* G 211 2HO* G 211 12.963 14.422 16.179 556 H1* G 211 H1* G 211 15.762 15.936 17.684 557 H8 G 211 H8 G 211 17.606 17.155 14.748 558 H1 G 211 H1 G 211 14.867 21.962 18.104 559 1H2 G 211 1H2 G 211 13.528 21.177 19.464 560 2H2 G 211 2H2 G 211 13.197 19.471 19.663 561 1H5* G 212 1H5* G 212 10.515 14.362 14.965 562 2H5* G 212 2H5* G 212 9.976 14.877 13.367 563 H4* G 212 H4* G 212 8.681 15.835 15.272 564 H3* G 212 H3* G 212 10.014 17.603 13.240 565 H2* G 212 H2* G 212 9.028 19.516 14.264 566 2HO* G 212 2HO* G 212 7.201 19.134 15.408 567 H1* G 212 H1* G 212 9.860 18.782 16.826 568 H8 G 212 H8 G 212 12.554 17.835 14.464 569 H1 G 212 H1 G 212 12.580 24.139 15.930 570 1H2 G 212 1H2 G 212 10.840 24.621 16.926 571 2H2 G 212 2H2 G 212 9.564 23.487 17.307 572 1H5* G 213 1H5* G 213 5.541 18.467 12.901 573 2H5* G 213 2H5* G 213 5.285 19.073 11.264 574 H4* G 213 H4* G 213 4.619 20.649 13.075 575 H3* G 213 H3* G 213 6.615 21.445 10.975 576 H2* G 213 H2* G 213 6.667 23.655 11.863 577 2HO* G 213 2HO* G 213 5.059 24.190 13.427 578 H1* G 213 H1* G 213 7.076 22.782 14.480 579 H8 G 213 H8 G 213 9.003 20.446 12.398 580 H1 G 213 H1 G 213 11.941 26.178 13.027 581 1H2 G 213 1H2 G 213 10.623 27.541 13.838 582 2H2 G 213 2H2 G 213 8.969 27.186 14.281 583 1H5* G 214 1H5* G 214 5.987 25.328 10.289 584 2H5* G 214 2H5* G 214 5.070 25.096 8.801 585 H4* G 214 H4* G 214 7.022 26.306 8.233 586 H3* G 214 H3* G 214 7.095 23.431 7.366 587 H2* G 214 H2* G 214 9.180 23.812 6.275 588 2HO* G 214 2HO* G 214 9.298 26.483 7.160 589 H1* G 214 H1* G 214 10.325 25.031 8.504 590 H8 G 214 H8 G 214 8.224 22.375 9.912 591 H1 G 214 H1 G 214 13.666 20.054 7.287 592 1H2 G 214 1H2 G 214 14.568 21.526 6.159 593 2H2 G 214 2H2 G 214 13.944 23.146 5.955 594 1H5* G 215 1H5* G 215 8.393 25.411 3.603 595 2H5* G 215 2H5* G 215 6.913 25.137 2.684 596 H4* G 215 H4* G 215 8.618 24.544 1.216 597 H3* G 215 H3* G 215 7.379 22.123 2.477 598 H2* G 215 H2* G 215 8.800 20.698 1.200 599 2HO* G 215 2HO* G 215 8.826 21.907 -0.692 600 H1* G 215 H1* G 215 11.122 22.025 1.920 601 H8 G 215 H8 G 215 8.934 22.242 4.884 602 H1 G 215 H1 G 215 11.703 16.427 4.249 603 1H2 G 215 1H2 G 215 12.566 16.276 2.382 604 2H2 G 215 2H2 G 215 12.543 17.536 1.171 605 1H5* C 216 1H5* C 216 5.523 21.846 -1.598 606 2H5* C 216 2H5* C 216 4.058 20.878 -1.436 607 H4* C 216 H4* C 216 6.107 19.697 -2.331 608 H3* C 216 H3* C 216 4.556 18.630 0.029 609 H2* C 216 H2* C 216 5.863 16.655 -0.071 610 2HO* C 216 2HO* C 216 6.871 16.196 -2.012 611 H1* C 216 H1* C 216 8.272 18.126 -0.426 612 1H4 C 216 1H4 C 216 8.092 16.313 5.721 613 2H4 C 216 2H4 C 216 7.302 17.829 6.091 614 H5 C 216 H5 C 216 6.578 19.370 4.455 615 H6 C 216 H6 C 216 6.434 19.841 2.035 616 1H5* U 217 1H5* U 217 4.588 15.791 -2.965 617 2H5* U 217 2H5* U 217 3.075 14.930 -3.243 618 H4* U 217 H4* U 217 4.769 13.310 -2.856 619 H3* U 217 H3* U 217 2.849 13.632 -0.562 620 H2* U 217 H2* U 217 3.889 11.792 0.538 621 2HO* U 217 2HO* U 217 5.647 10.742 -0.773 622 H1* U 217 H1* U 217 6.467 12.820 0.155 623 H3 U 217 H3 U 217 5.756 13.319 4.612 624 H5 U 217 H5 U 217 3.557 16.429 2.872 625 H6 U 217 H6 U 217 4.061 15.432 0.689 626 1H5* G 218 1H5* G 218 0.616 9.343 -2.468 627 2H5* G 218 2H5* G 218 0.216 8.718 -0.869 628 H4* G 218 H4* G 218 1.714 7.124 -1.249 629 H3* G 218 H3* G 218 3.565 9.451 -0.805 630 H2* G 218 H2* G 218 5.419 8.117 -1.377 631 2HO* G 218 2HO* G 218 4.835 6.270 -0.260 632 H1* G 218 H1* G 218 3.955 6.859 -3.525 633 H8 G 218 H8 G 218 3.902 10.592 -3.581 634 H1 G 218 H1 G 218 9.120 8.040 -6.436 635 1H2 G 218 1H2 G 218 9.204 6.019 -6.036 636 2H2 G 218 2H2 G 218 8.036 5.146 -5.071 637 1H5* C 219 1H5* C 219 4.531 6.495 2.001 638 2H5* C 219 2H5* C 219 3.960 5.080 2.885 639 H4* C 219 H4* C 219 4.891 6.235 4.603 640 H3* C 219 H3* C 219 2.032 7.103 4.432 641 H2* C 219 H2* C 219 2.329 8.717 6.116 642 2HO* C 219 2HO* C 219 3.567 7.671 7.594 643 H1* C 219 H1* C 219 4.801 9.649 5.150 644 1H4 C 219 1H4 C 219 0.091 13.498 2.998 645 2H4 C 219 2H4 C 219 0.414 12.815 1.420 646 H5 C 219 H5 C 219 1.862 10.988 1.048 647 H6 C 219 H6 C 219 3.374 9.349 2.111 648 1H5* G 220 1H5* G 220 4.949 3.130 6.404 649 2H5* G 220 2H5* G 220 4.959 4.883 6.213 650 H4* G 220 H4* G 220 6.697 2.869 5.050 651 H3* G 220 H3* G 220 6.802 5.874 5.382 652 H2* G 220 H2* G 220 8.633 5.924 3.943 653 2HO* G 220 2HO* G 220 9.189 3.268 3.722 654 H1* G 220 H1* G 220 7.573 3.566 2.514 655 H8 G 220 H8 G 220 7.415 4.279 0.104 656 H1 G 220 H1 G 220 6.911 10.541 1.656 657 1H2 G 220 1H2 G 220 6.815 10.737 3.707 658 2H2 G 220 2H2 G 220 6.866 9.403 4.838 659 1H5* G 221 1H5* G 221 10.175 4.968 6.561 660 2H5* G 221 2H5* G 221 11.149 6.116 7.480 661 H4* G 221 H4* G 221 10.790 6.134 4.767 662 H3* G 221 H3* G 221 11.648 8.314 6.672 663 H2* G 221 H2* G 221 11.920 9.755 4.809 664 2HO* G 221 2HO* G 221 11.208 7.547 3.133 665 H1* G 221 H1* G 221 9.464 8.942 3.647 666 H8 G 221 H8 G 221 9.166 9.500 7.329 667 H1 G 221 H1 G 221 8.632 14.925 3.841 668 1H2 G 221 1H2 G 221 9.154 14.540 1.884 669 2H2 G 221 2H2 G 221 9.661 12.979 1.278 670 1H5* C 222 1H5* C 222 15.001 7.976 3.644 671 2H5* C 222 2H5* C 222 16.320 8.961 4.277 672 H4* C 222 H4* C 222 15.081 9.730 2.148 673 H3* C 222 H3* C 222 15.764 11.526 4.474 674 H2* C 222 H2* C 222 15.012 13.379 3.207 675 2HO* C 222 2HO* C 222 14.295 12.480 0.885 676 H1* C 222 H1* C 222 12.702 12.003 2.295 677 1H4 C 222 1H4 C 222 10.813 15.834 7.077 678 2H4 C 222 2H4 C 222 11.070 14.499 8.178 679 H5 C 222 H5 C 222 12.052 12.445 7.551 680 H6 C 222 H6 C 222 13.039 11.153 5.691 681 1H5* U 223 1H5* U 223 16.352 14.184 1.633 682 2H5* U 223 2H5* U 223 18.055 14.628 1.749 683 H4* U 223 H4* U 223 16.763 16.617 1.933 684 H3* U 223 H3* U 223 18.032 15.723 4.508 685 H2* U 223 H2* U 223 17.161 17.586 5.628 686 2HO* U 223 2HO* U 223 17.427 19.308 4.333 687 H1* U 223 H1* U 223 14.709 17.471 4.054 688 H3 U 223 H3 U 223 13.317 17.656 8.403 689 H5 U 223 H5 U 223 14.677 13.731 7.879 690 H6 U 223 H6 U 223 15.539 14.426 5.691 691 1H5* U 224 1H5* U 224 21.028 16.945 -0.169 692 2H5* U 224 2H5* U 224 20.091 18.076 0.808 693 H4* U 224 H4* U 224 19.294 16.504 -1.592 694 H3* U 224 H3* U 224 19.018 19.331 -0.642 695 H2* U 224 H2* U 224 17.028 19.614 -1.910 696 2HO* U 224 2HO* U 224 17.637 18.416 -3.708 697 H1* U 224 H1* U 224 15.948 17.164 -0.970 698 H3 U 224 H3 U 224 13.074 19.505 1.505 699 H5 U 224 H5 U 224 16.714 21.374 2.395 700 H6 U 224 H6 U 224 17.783 19.813 0.836 701 1H5* A 225 1H5* A 225 20.272 20.450 -5.072 702 2H5* A 225 2H5* A 225 20.056 22.195 -4.943 703 H4* A 225 H4* A 225 18.208 20.562 -5.968 704 H3* A 225 H3* A 225 17.829 23.141 -4.454 705 H2* A 225 H2* A 225 15.492 22.970 -4.818 706 2HO* A 225 2HO* A 225 15.515 20.580 -6.191 707 H1* A 225 H1* A 225 15.393 20.260 -4.085 708 H8 A 225 H8 A 225 17.729 22.133 -1.858 709 1H6 A 225 1H6 A 225 12.758 23.573 1.631 710 2H6 A 225 2H6 A 225 14.506 23.624 1.564 711 H2 A 225 H2 A 225 11.320 21.694 -2.130 712 1H5* G 226 1H5* G 226 16.148 23.101 -8.376 713 2H5* G 226 2H5* G 226 15.749 24.631 -9.157 714 H4* G 226 H4* G 226 13.788 23.181 -8.799 715 H3* G 226 H3* G 226 13.878 25.896 -7.515 716 H2* G 226 H2* G 226 11.643 25.597 -6.744 717 2HO* G 226 2HO* G 226 11.294 23.017 -7.624 718 H1* G 226 H1* G 226 12.179 23.073 -5.668 719 H8 G 226 H8 G 226 15.195 25.055 -4.987 720 H1 G 226 H1 G 226 10.313 26.571 -1.019 721 1H2 G 226 1H2 G 226 8.565 25.738 -1.728 722 2H2 G 226 2H2 G 226 8.441 24.773 -3.181 723 1H5* G 227 1H5* G 227 12.359 25.692 -12.454 724 2H5* G 227 2H5* G 227 13.542 26.899 -12.958 725 H4* G 227 H4* G 227 11.485 27.280 -14.128 726 H3* G 227 H3* G 227 12.207 29.344 -12.068 727 H2* G 227 H2* G 227 10.324 30.652 -12.717 728 2HO* G 227 2HO* G 227 9.121 29.136 -14.536 729 H1* G 227 H1* G 227 8.555 28.501 -12.548 730 H8 G 227 H8 G 227 11.103 28.229 -9.838 731 H1 G 227 H1 G 227 6.251 32.267 -8.413 732 1H2 G 227 1H2 G 227 5.114 32.601 -10.100 733 2H2 G 227 2H2 G 227 5.430 31.893 -11.669 734 1H5* A 228 1H5* A 228 11.902 31.564 -15.921 735 2H5* A 228 2H5* A 228 13.128 32.831 -15.895 736 H4* A 228 H4* A 228 10.889 33.736 -16.261 737 H3* A 228 H3* A 228 12.387 34.534 -13.791 738 H2* A 228 H2* A 228 10.623 35.987 -13.147 739 2HO* A 228 2HO* A 228 8.768 35.796 -14.931 740 H1* A 228 H1* A 228 8.635 34.058 -13.568 741 H8 A 228 H8 A 228 11.473 32.242 -12.098 742 1H6 A 228 1H6 A 228 9.607 34.267 -6.497 743 2H6 A 228 2H6 A 228 10.680 33.154 -7.317 744 H2 A 228 H2 A 228 7.353 36.503 -9.605 745 1H5* G 229 1H5* G 229 11.663 38.730 -15.715 746 2H5* G 229 2H5* G 229 13.297 39.363 -15.509 747 H4* G 229 H4* G 229 11.655 40.872 -14.553 748 H3* G 229 H3* G 229 13.594 39.550 -12.685 749 H2* G 229 H2* G 229 12.701 40.787 -10.854 750 2HO* G 229 2HO* G 229 10.804 42.250 -11.654 751 H1* G 229 H1* G 229 10.064 40.102 -11.455 752 H8 G 229 H8 G 229 12.025 37.091 -12.226 753 H1 G 229 H1 G 229 11.165 37.904 -5.864 754 1H2 G 229 1H2 G 229 10.436 39.800 -5.504 755 2H2 G 229 2H2 G 229 10.108 40.991 -6.742 756 1H5* G 230 1H5* G 230 13.503 43.742 -12.310 757 2H5* G 230 2H5* G 230 15.032 44.556 -11.981 758 H4* G 230 H4* G 230 13.351 45.176 -10.346 759 H3* G 230 H3* G 230 15.738 43.634 -9.383 760 H2* G 230 H2* G 230 14.967 43.809 -7.135 761 2HO* G 230 2HO* G 230 13.584 45.465 -6.721 762 H1* G 230 H1* G 230 12.402 42.907 -7.763 763 H8 G 230 H8 G 230 14.651 40.937 -9.901 764 H1 G 230 H1 G 230 14.686 38.901 -3.759 765 1H2 G 230 1H2 G 230 13.744 40.295 -2.565 766 2H2 G 230 2H2 G 230 13.049 41.792 -3.144 767 1H5* G 231 1H5* G 231 15.567 47.268 -6.686 768 2H5* G 231 2H5* G 231 17.237 47.831 -6.733 769 H4* G 231 H4* G 231 16.500 47.620 -4.447 770 H3* G 231 H3* G 231 18.616 45.690 -5.355 771 H2* G 231 H2* G 231 18.793 44.839 -3.137 772 2HO* G 231 2HO* G 231 17.264 46.010 -1.577 773 H1* G 231 H1* G 231 16.037 44.481 -2.872 774 H8 G 231 H8 G 231 16.902 43.650 -6.373 775 H1 G 231 H1 G 231 18.327 38.884 -2.233 776 1H2 G 231 1H2 G 231 18.177 39.584 -0.299 777 2H2 G 231 2H2 G 231 17.732 41.219 0.136 778 1H5* C 232 1H5* C 232 19.916 47.356 -1.880 779 2H5* C 232 2H5* C 232 21.538 48.042 -1.953 780 H4* C 232 H4* C 232 21.547 46.614 -0.095 781 H3* C 232 H3* C 232 22.921 45.395 -2.467 782 H2* C 232 H2* C 232 23.481 43.476 -1.187 783 2HO* C 232 2HO* C 232 22.157 44.642 1.055 784 H1* C 232 H1* C 232 20.871 43.208 -0.160 785 1H4 C 232 1H4 C 232 21.048 39.146 -5.079 786 2H4 C 232 2H4 C 232 20.806 40.481 -6.182 787 H5 C 232 H5 C 232 20.746 42.746 -5.515 788 H6 C 232 H6 C 232 20.907 44.302 -3.604 789 1H5* A 233 1H5* A 233 25.693 45.165 0.880 790 2H5* A 233 2H5* A 233 27.332 45.478 0.308 791 H4* A 233 H4* A 233 27.241 43.351 1.443 792 H3* A 233 H3* A 233 27.763 43.282 -1.514 793 H2* A 233 H2* A 233 28.046 40.924 -1.424 794 2HO* A 233 2HO* A 233 29.129 40.873 0.558 795 H1* A 233 H1* A 233 25.703 40.548 0.096 796 H8 A 233 H8 A 233 25.150 43.129 -2.534 797 1H6 A 233 1H6 A 233 23.784 38.445 -6.425 798 2H6 A 233 2H6 A 233 23.766 40.185 -6.239 799 H2 A 233 H2 A 233 25.440 36.709 -2.685 800 1H5* G 234 1H5* G 234 31.211 41.109 0.357 801 2H5* G 234 2H5* G 234 32.635 41.805 -0.416 802 H4* G 234 H4* G 234 32.783 39.429 -0.563 803 H3* G 234 H3* G 234 32.219 40.829 -3.159 804 H2* G 234 H2* G 234 32.355 38.751 -4.318 805 2HO* G 234 2HO* G 234 33.434 37.116 -3.295 806 H1* G 234 H1* G 234 30.604 37.465 -2.567 807 H8 G 234 H8 G 234 29.413 40.952 -2.995 808 H1 G 234 H1 G 234 27.755 37.090 -7.915 809 1H2 G 234 1H2 G 234 28.776 35.305 -7.764 810 2H2 G 234 2H2 G 234 29.912 34.913 -6.493 811 1H GLY 15 1H GLY 15 8.887 -3.722 0.654 812 1HA GLY 15 1HA GLY 15 10.354 -3.313 -1.122 813 2HA GLY 15 2HA GLY 15 8.937 -2.419 -1.651 814 H ARG 16 H ARG 16 8.836 -0.168 -0.382 815 HA ARG 16 HA ARG 16 9.704 1.925 -0.196 816 1HB ARG 16 2HB ARG 16 11.323 0.434 1.316 817 2HB ARG 16 3HB ARG 16 12.490 0.926 0.096 818 1HG ARG 16 2HG ARG 16 12.756 2.849 1.150 819 2HG ARG 16 3HG ARG 16 11.059 3.236 0.858 820 1HD ARG 16 2HD ARG 16 11.244 3.375 3.169 821 2HD ARG 16 3HD ARG 16 10.597 1.755 2.914 822 HE ARG 16 HE ARG 16 13.361 1.527 2.979 823 1HH1 ARG 16 2HH1 ARG 16 10.790 2.490 5.118 824 2HH1 ARG 16 1HH1 ARG 16 11.624 1.996 6.555 825 1HH2 ARG 16 2HH2 ARG 16 14.469 0.873 4.862 826 2HH2 ARG 16 1HH2 ARG 16 13.718 1.077 6.407 827 H ALA 17 H ALA 17 9.515 2.859 -2.149 828 HA ALA 17 HA ALA 17 11.409 2.181 -4.268 829 1HB ALA 17 1HB ALA 17 9.304 2.224 -5.194 830 2HB ALA 17 2HB ALA 17 8.771 3.570 -4.187 831 3HB ALA 17 3HB ALA 17 9.864 3.860 -5.540 832 H ARG 18 H ARG 18 12.037 3.821 -1.811 833 HA ARG 18 HA ARG 18 12.313 6.514 -2.323 834 1HB ARG 18 2HB ARG 18 13.526 4.577 -0.533 835 2HB ARG 18 3HB ARG 18 14.676 5.817 -1.014 836 1HG ARG 18 2HG ARG 18 11.961 6.620 -0.083 837 2HG ARG 18 3HG ARG 18 13.186 6.145 1.095 838 1HD ARG 18 2HD ARG 18 14.100 8.162 0.956 839 2HD ARG 18 3HD ARG 18 14.404 7.907 -0.762 840 HE ARG 18 HE ARG 18 11.716 8.742 -0.142 841 1HH1 ARG 18 2HH1 ARG 18 14.958 9.772 -0.885 842 2HH1 ARG 18 1HH1 ARG 18 14.468 11.325 -1.478 843 1HH2 ARG 18 2HH2 ARG 18 11.058 10.783 -0.919 844 2HH2 ARG 18 1HH2 ARG 18 12.249 11.900 -1.495 845 H GLY 19 H GLY 19 13.623 7.772 -3.535 846 1HA GLY 19 1HA GLY 19 15.622 8.278 -4.712 847 2HA GLY 19 2HA GLY 19 15.947 6.556 -4.844 848 H LEU 20 H LEU 20 13.042 6.191 -5.665 849 HA LEU 20 HA LEU 20 13.445 6.932 -8.483 850 1HB LEU 20 2HB LEU 20 12.447 4.541 -7.134 851 2HB LEU 20 3HB LEU 20 11.420 5.082 -8.461 852 HG LEU 20 HG LEU 20 14.209 5.024 -9.237 853 1HD1 LEU 20 1HD1 LEU 20 14.222 3.230 -7.493 854 2HD1 LEU 20 2HD1 LEU 20 14.616 2.680 -9.121 855 3HD1 LEU 20 3HD1 LEU 20 13.014 2.374 -8.451 856 1HD2 LEU 20 1HD2 LEU 20 11.583 3.989 -10.196 857 2HD2 LEU 20 2HD2 LEU 20 13.067 3.337 -10.891 858 3HD2 LEU 20 3HD2 LEU 20 12.732 5.067 -10.992 859 H CYS 21 H CYS 21 12.135 8.490 -9.371 860 HA CYS 21 HA CYS 21 10.052 9.563 -7.790 861 1HB CYS 21 2HB CYS 21 11.472 10.891 -9.365 862 2HB CYS 21 3HB CYS 21 10.677 10.100 -10.711 863 H TYR 22 H TYR 22 7.825 9.501 -8.272 864 HA TYR 22 HA TYR 22 6.968 7.198 -9.900 865 1HB TYR 22 2HB TYR 22 6.337 6.616 -7.745 866 2HB TYR 22 3HB TYR 22 5.997 8.280 -7.282 867 HD1 TYR 22 HD1 TYR 22 4.754 5.759 -9.755 868 HD2 TYR 22 HD2 TYR 22 3.784 8.831 -6.976 869 HE1 TYR 22 HE1 TYR 22 2.361 5.382 -10.184 870 HE2 TYR 22 HE2 TYR 22 1.388 8.462 -7.396 871 HH TYR 22 HH TYR 22 0.211 6.803 -9.989 872 H THR 23 H THR 23 6.636 10.578 -9.322 873 HA THR 23 HA THR 23 4.130 11.008 -10.564 874 HB THR 23 HB THR 23 6.435 12.958 -10.386 875 HG1 THR 23 HG1 THR 23 4.278 12.611 -8.557 876 1HG2 THR 23 1HG2 THR 23 4.830 14.673 -10.658 877 2HG2 THR 23 2HG2 THR 23 3.484 13.553 -10.442 878 3HG2 THR 23 3HG2 THR 23 4.465 13.481 -11.906 879 H CYS 24 H CYS 24 7.526 11.074 -11.827 880 HA CYS 24 HA CYS 24 6.334 11.269 -14.497 881 1HB CYS 24 2HB CYS 24 8.443 12.194 -15.270 882 2HB CYS 24 3HB CYS 24 7.826 13.146 -13.934 883 H GLY 25 H GLY 25 8.565 9.628 -12.333 884 1HA GLY 25 1HA GLY 25 8.888 7.264 -12.389 885 2HA GLY 25 2HA GLY 25 8.546 7.290 -14.113 886 H SER 26 H SER 26 10.740 9.477 -12.444 887 HA SER 26 HA SER 26 12.932 8.377 -14.067 888 1HB SER 26 2HB SER 26 12.402 11.113 -12.932 889 2HB SER 26 3HB SER 26 14.028 10.635 -13.416 890 HG SER 26 HG SER 26 13.364 10.441 -15.492 891 HA PRO 27 HA PRO 27 14.450 6.753 -10.186 892 1HB PRO 27 2HB PRO 27 16.593 5.485 -11.268 893 2HB PRO 27 3HB PRO 27 14.950 4.837 -11.351 894 1HG PRO 27 2HG PRO 27 16.498 6.344 -13.423 895 2HG PRO 27 3HG PRO 27 15.471 4.912 -13.616 896 1HD PRO 27 2HD PRO 27 14.619 7.408 -14.228 897 2HD PRO 27 3HD PRO 27 13.526 6.150 -13.615 898 H GLY 28 H GLY 28 15.107 8.675 -9.188 899 1HA GLY 28 1HA GLY 28 17.774 9.077 -8.699 900 2HA GLY 28 2HA GLY 28 17.420 10.126 -10.064 901 H HIS 29 H HIS 29 14.626 10.506 -9.046 902 HA HIS 29 HA HIS 29 15.121 12.080 -6.629 903 1HB HIS 29 2HB HIS 29 14.058 14.059 -7.557 904 2HB HIS 29 3HB HIS 29 15.432 13.602 -8.561 905 HD1 HIS 29 HD1 HIS 29 14.979 13.157 -10.989 906 HD2 HIS 29 HD2 HIS 29 11.498 13.424 -8.738 907 HE1 HIS 29 HE1 HIS 29 13.097 13.162 -12.658 908 H TYR 30 H TYR 30 12.785 13.262 -6.202 909 HA TYR 30 HA TYR 30 10.742 11.158 -6.447 910 1HB TYR 30 2HB TYR 30 12.009 12.091 -4.050 911 2HB TYR 30 3HB TYR 30 10.305 12.532 -4.008 912 HD1 TYR 30 HD1 TYR 30 12.369 9.565 -4.990 913 HD2 TYR 30 HD2 TYR 30 8.908 11.018 -2.988 914 HE1 TYR 30 HE1 TYR 30 11.800 7.268 -4.322 915 HE2 TYR 30 HE2 TYR 30 8.328 8.724 -2.314 916 HH TYR 30 HH TYR 30 9.127 6.599 -2.137 917 H GLN 31 H GLN 31 8.553 12.160 -5.553 918 HA GLN 31 HA GLN 31 7.654 14.002 -7.396 919 1HB GLN 31 2HB GLN 31 6.092 12.660 -6.164 920 2HB GLN 31 3HB GLN 31 6.604 13.370 -4.638 921 1HG GLN 31 2HG GLN 31 5.173 15.049 -4.841 922 2HG GLN 31 3HG GLN 31 5.705 15.394 -6.486 923 1HE2 GLN 31 1HE2 GLN 31 4.017 12.700 -4.903 924 2HE2 GLN 31 2HE2 GLN 31 2.695 12.651 -6.016 925 H ALA 32 H ALA 32 8.831 14.590 -4.107 926 HA ALA 32 HA ALA 32 8.290 17.325 -3.963 927 1HB ALA 32 1HB ALA 32 10.442 17.210 -2.417 928 2HB ALA 32 2HB ALA 32 8.895 16.521 -1.922 929 3HB ALA 32 3HB ALA 32 10.155 15.477 -2.582 930 H GLN 33 H GLN 33 10.730 15.598 -5.700 931 HA GLN 33 HA GLN 33 11.935 18.162 -6.509 932 1HB GLN 33 2HB GLN 33 13.271 15.482 -6.123 933 2HB GLN 33 3HB GLN 33 14.038 16.844 -6.931 934 1HG GLN 33 2HG GLN 33 14.853 17.263 -4.888 935 2HG GLN 33 3HG GLN 33 13.281 18.021 -4.634 936 1HE2 GLN 33 1HE2 GLN 33 14.456 17.325 -2.423 937 2HE2 GLN 33 2HE2 GLN 33 13.804 15.874 -1.749 938 H CYS 34 H CYS 34 9.626 16.608 -7.715 939 HA CYS 34 HA CYS 34 10.757 15.473 -10.088 940 1HB CYS 34 2HB CYS 34 8.670 14.607 -8.999 941 2HB CYS 34 3HB CYS 34 7.849 16.082 -9.467 942 HA PRO 35 HA PRO 35 11.047 19.458 -12.080 943 1HB PRO 35 2HB PRO 35 11.712 18.502 -14.533 944 2HB PRO 35 3HB PRO 35 12.855 18.572 -13.186 945 1HG PRO 35 2HG PRO 35 11.262 16.249 -14.201 946 2HG PRO 35 3HG PRO 35 12.960 16.303 -13.690 947 1HD PRO 35 2HD PRO 35 10.988 15.359 -12.093 948 2HD PRO 35 3HD PRO 35 12.421 16.188 -11.452 949 H LYS 36 H LYS 36 8.818 16.962 -12.767 950 HA LYS 36 HA LYS 36 7.422 18.557 -14.790 951 1HB LYS 36 2HB LYS 36 7.863 15.835 -14.572 952 2HB LYS 36 3HB LYS 36 6.195 16.013 -14.042 953 1HG LYS 36 2HG LYS 36 5.765 17.304 -16.149 954 2HG LYS 36 3HG LYS 36 7.381 16.830 -16.681 955 1HD LYS 36 2HD LYS 36 6.740 14.465 -16.439 956 2HD LYS 36 3HD LYS 36 5.115 14.966 -15.966 957 1HE LYS 36 2HE LYS 36 4.581 15.696 -18.088 958 2HE LYS 36 3HE LYS 36 6.266 15.954 -18.538 959 1HZ LYS 36 1HZ LYS 36 6.450 13.426 -18.353 960 2HZ LYS 36 2HZ LYS 36 5.657 14.063 -19.705 961 3HZ LYS 36 3HZ LYS 36 4.759 13.419 -18.424 962 H LYS 37 H LYS 37 7.514 18.396 -11.540 963 HA LYS 37 HA LYS 37 4.674 18.421 -10.996 964 1HB LYS 37 2HB LYS 37 7.016 18.000 -9.484 965 2HB LYS 37 3HB LYS 37 6.271 19.455 -8.832 966 1HG LYS 37 2HG LYS 37 4.596 17.033 -9.307 967 2HG LYS 37 3HG LYS 37 5.641 17.113 -7.886 968 1HD LYS 37 2HD LYS 37 4.556 19.406 -7.471 969 2HD LYS 37 3HD LYS 37 3.330 18.881 -8.628 970 1HE LYS 37 2HE LYS 37 2.688 17.061 -7.260 971 2HE LYS 37 3HE LYS 37 4.106 17.241 -6.229 972 1HZ LYS 37 1HZ LYS 37 3.100 18.789 -5.003 973 2HZ LYS 37 2HZ LYS 37 1.657 18.252 -5.702 974 3HZ LYS 37 3HZ LYS 37 2.459 19.595 -6.345 975 H ARG 38 H ARG 38 3.556 20.142 -11.666 976 HA ARG 38 HA ARG 38 4.169 22.734 -10.598 977 1HB ARG 38 2HB ARG 38 4.196 23.852 -12.851 978 2HB ARG 38 3HB ARG 38 5.629 22.904 -12.478 979 1HG ARG 38 2HG ARG 38 5.253 21.435 -14.138 980 2HG ARG 38 3HG ARG 38 3.503 21.465 -13.910 981 1HD ARG 38 2HD ARG 38 3.206 23.195 -15.353 982 2HD ARG 38 3HD ARG 38 4.764 23.926 -14.966 983 HE ARG 38 HE ARG 38 5.288 21.557 -16.313 984 1HH1 ARG 38 2HH1 ARG 38 3.729 24.606 -16.942 985 2HH1 ARG 38 1HH1 ARG 38 4.089 24.590 -18.637 986 1HH2 ARG 38 2HH2 ARG 38 5.768 21.524 -18.543 987 2HH2 ARG 38 1HH2 ARG 38 5.249 22.835 -19.546 988 H LYS 39 H LYS 39 2.011 21.091 -10.187 989 HA LYS 39 HA LYS 39 -0.151 22.805 -10.904 990 1HB LYS 39 2HB LYS 39 0.432 20.853 -12.793 991 2HB LYS 39 3HB LYS 39 -0.887 20.155 -11.862 992 1HG LYS 39 2HG LYS 39 -2.398 21.611 -12.664 993 2HG LYS 39 3HG LYS 39 -1.261 22.960 -12.655 994 1HD LYS 39 2HD LYS 39 -1.760 22.545 -14.928 995 2HD LYS 39 3HD LYS 39 -0.155 21.866 -14.653 996 1HE LYS 39 2HE LYS 39 -2.200 19.914 -14.098 997 2HE LYS 39 3HE LYS 39 -2.392 20.572 -15.722 998 1HZ LYS 39 1HZ LYS 39 -0.027 20.062 -16.114 999 2HZ LYS 39 2HZ LYS 39 -0.951 18.680 -15.802 1000 3HZ LYS 39 3HZ LYS 39 0.052 19.316 -14.597 1001 H SER 40 H SER 40 -1.420 22.824 -9.178 1002 HA SER 40 HA SER 40 -2.512 20.533 -7.968 1003 1HB SER 40 2HB SER 40 0.075 20.832 -7.159 1004 2HB SER 40 3HB SER 40 -0.775 21.755 -5.920 1005 HG SER 40 HG SER 40 -0.509 19.453 -5.491 1006 H GLY 41 H GLY 41 -3.693 21.089 -5.908 1007 1HA GLY 41 1HA GLY 41 -4.101 23.478 -4.740 1008 2HA GLY 41 2HA GLY 41 -4.947 23.679 -6.267 1009 H ASN 42 H ASN 42 -5.568 23.176 -3.198 1010 HA ASN 42 HA ASN 42 -8.150 22.131 -3.614 1011 1HB ASN 42 2HB ASN 42 -6.216 20.130 -3.496 1012 2HB ASN 42 3HB ASN 42 -6.907 20.157 -1.877 1013 1HD2 ASN 42 1HD2 ASN 42 -7.255 19.038 -5.006 1014 2HD2 ASN 42 2HD2 ASN 42 -8.886 18.477 -4.903 1015 H SER 43 H SER 43 -9.452 22.553 -1.892 1016 HA SER 43 HA SER 43 -8.330 24.117 0.241 1017 1HB SER 43 2HB SER 43 -11.149 23.249 -0.411 1018 2HB SER 43 3HB SER 43 -10.751 24.214 1.010 1019 HG SER 43 HG SER 43 -10.398 24.898 -1.717 1020 H ARG 44 H ARG 44 -8.163 23.610 2.387 1021 HA ARG 44 HA ARG 44 -9.314 21.411 3.672 1022 1HB ARG 44 2HB ARG 44 -7.204 20.645 1.985 1023 2HB ARG 44 3HB ARG 44 -6.540 20.615 3.613 1024 1HG ARG 44 2HG ARG 44 -8.128 19.034 4.341 1025 2HG ARG 44 3HG ARG 44 -9.123 19.262 2.901 1026 1HD ARG 44 2HD ARG 44 -6.662 18.536 1.882 1027 2HD ARG 44 3HD ARG 44 -6.819 17.538 3.326 1028 HE ARG 44 HE ARG 44 -9.189 17.498 1.741 1029 1HH1 ARG 44 2HH1 ARG 44 -5.976 16.181 2.010 1030 2HH1 ARG 44 1HH1 ARG 44 -6.363 14.724 1.156 1031 1HH2 ARG 44 2HH2 ARG 44 -9.708 15.584 0.615 1032 2HH2 ARG 44 1HH2 ARG 44 -8.484 14.385 0.362 1033 H GLU 45 H GLU 45 -7.521 20.743 5.588 1034 HA GLU 45 HA GLU 45 -7.541 22.934 7.307 1035 1HB GLU 45 2HB GLU 45 -7.298 20.445 7.867 1036 2HB GLU 45 3HB GLU 45 -5.582 20.659 7.550 1037 1HG GLU 45 2HG GLU 45 -5.549 21.032 9.772 1038 2HG GLU 45 3HG GLU 45 -5.928 22.673 9.253 1039 H ARG 46 H ARG 46 -5.268 22.023 4.875 1040 HA ARG 46 HA ARG 46 -3.231 23.845 5.904 1041 1HB ARG 46 2HB ARG 46 -2.825 21.481 4.858 1042 2HB ARG 46 3HB ARG 46 -2.980 22.335 3.329 1043 1HG ARG 46 2HG ARG 46 -1.079 23.635 3.727 1044 2HG ARG 46 3HG ARG 46 -1.077 23.259 5.452 1045 1HD ARG 46 2HD ARG 46 0.619 21.902 4.686 1046 2HD ARG 46 3HD ARG 46 -0.761 20.806 4.627 1047 HE ARG 46 HE ARG 46 -0.566 20.745 2.347 1048 1HH1 ARG 46 2HH1 ARG 46 1.244 23.455 3.573 1049 2HH1 ARG 46 1HH1 ARG 46 1.968 23.830 2.045 1050 1HH2 ARG 46 2HH2 ARG 46 0.382 21.229 0.330 1051 2HH2 ARG 46 1HH2 ARG 46 1.477 22.563 0.200 1052 H CYS 47 H CYS 47 -2.089 25.296 4.144 1053 HA CYS 47 HA CYS 47 -4.224 26.446 2.498 1054 1HB CYS 47 2HB CYS 47 -3.695 27.902 4.414 1055 2HB CYS 47 3HB CYS 47 -2.006 27.933 3.944 1056 H GLN 48 H GLN 48 -3.756 26.178 0.425 1057 HA GLN 48 HA GLN 48 -1.017 25.615 -0.420 1058 1HB GLN 48 2HB GLN 48 -3.485 24.559 -1.153 1059 2HB GLN 48 3HB GLN 48 -3.025 25.562 -2.521 1060 1HG GLN 48 2HG GLN 48 -1.150 23.552 -1.323 1061 2HG GLN 48 3HG GLN 48 -2.325 23.121 -2.565 1062 1HE2 GLN 48 1HE2 GLN 48 0.736 23.452 -2.350 1063 2HE2 GLN 48 2HE2 GLN 48 1.136 24.316 -3.791 1064 H LEU 49 H LEU 49 -1.852 28.316 0.331 1065 HA LEU 49 HA LEU 49 -1.292 29.657 -2.230 1066 1HB LEU 49 2HB LEU 49 -3.575 29.952 -0.591 1067 2HB LEU 49 3HB LEU 49 -2.622 31.425 -0.422 1068 HG LEU 49 HG LEU 49 -3.089 30.479 -3.184 1069 1HD1 LEU 49 1HD1 LEU 49 -5.293 30.275 -2.974 1070 2HD1 LEU 49 2HD1 LEU 49 -5.336 32.009 -2.659 1071 3HD1 LEU 49 3HD1 LEU 49 -5.265 30.871 -1.314 1072 1HD2 LEU 49 1HD2 LEU 49 -3.487 32.944 -3.463 1073 2HD2 LEU 49 2HD2 LEU 49 -1.880 32.503 -2.882 1074 3HD2 LEU 49 3HD2 LEU 49 -3.085 33.130 -1.756 1075 H CYS 50 H CYS 50 -0.869 29.620 1.337 1076 HA CYS 50 HA CYS 50 1.468 31.319 0.888 1077 1HB CYS 50 2HB CYS 50 1.046 32.651 2.779 1078 2HB CYS 50 3HB CYS 50 -0.495 32.566 1.948 1079 H ASN 51 H ASN 51 0.631 28.375 1.269 1080 HA ASN 51 HA ASN 51 1.465 26.485 2.221 1081 1HB ASN 51 2HB ASN 51 3.769 28.054 3.332 1082 2HB ASN 51 3HB ASN 51 3.754 26.422 2.673 1083 1HD2 ASN 51 1HD2 ASN 51 5.018 29.258 2.108 1084 2HD2 ASN 51 2HD2 ASN 51 5.004 29.311 0.381 1085 H GLY 52 H GLY 52 -0.123 28.538 3.816 1086 1HA GLY 52 1HA GLY 52 0.713 28.445 6.510 1087 2HA GLY 52 2HA GLY 52 -0.922 28.773 5.955 1088 H MET 53 H MET 53 -0.370 27.335 8.285 1089 HA MET 53 HA MET 53 -1.389 24.680 7.526 1090 1HB MET 53 2HB MET 53 1.044 24.756 8.358 1091 2HB MET 53 3HB MET 53 0.359 25.116 9.936 1092 1HG MET 53 2HG MET 53 -1.094 22.944 9.218 1093 2HG MET 53 3HG MET 53 0.451 22.598 8.446 1094 1HE MET 53 1HE MET 53 0.026 20.580 9.739 1095 2HE MET 53 2HE MET 53 1.171 20.306 11.053 1096 3HE MET 53 3HE MET 53 -0.528 20.621 11.414 1097 H GLY 54 H GLY 54 -3.522 25.126 7.953 1098 1HA GLY 54 1HA GLY 54 -4.750 24.627 10.240 1099 2HA GLY 54 2HA GLY 54 -4.235 26.280 10.541 1100 H HIS 55 H HIS 55 -4.709 27.667 8.371 1101 HA HIS 55 HA HIS 55 -7.602 27.588 8.149 1102 1HB HIS 55 2HB HIS 55 -7.337 29.762 6.998 1103 2HB HIS 55 3HB HIS 55 -6.546 29.740 8.572 1104 HD1 HIS 55 HD1 HIS 55 -3.870 29.402 8.484 1105 HD2 HIS 55 HD2 HIS 55 -5.720 30.468 4.920 1106 HE1 HIS 55 HE1 HIS 55 -2.027 30.248 6.996 1107 H ASN 56 H ASN 56 -8.197 28.562 5.733 1108 HA ASN 56 HA ASN 56 -7.152 26.536 3.864 1109 1HB ASN 56 2HB ASN 56 -9.480 26.086 4.486 1110 2HB ASN 56 3HB ASN 56 -9.938 27.713 3.992 1111 1HD2 ASN 56 1HD2 ASN 56 -11.367 27.060 2.436 1112 2HD2 ASN 56 2HD2 ASN 56 -10.879 26.294 0.967 1113 H ALA 57 H ALA 57 -6.915 27.130 1.674 1114 HA ALA 57 HA ALA 57 -5.848 29.661 1.203 1115 1HB ALA 57 1HB ALA 57 -6.221 28.990 -1.271 1116 2HB ALA 57 2HB ALA 57 -5.127 28.030 -0.274 1117 3HB ALA 57 3HB ALA 57 -6.762 27.453 -0.596 1118 H LYS 58 H LYS 58 -9.103 28.420 0.681 1119 HA LYS 58 HA LYS 58 -10.112 30.567 -0.824 1120 1HB LYS 58 2HB LYS 58 -11.606 28.782 1.106 1121 2HB LYS 58 3HB LYS 58 -12.325 29.758 -0.167 1122 1HG LYS 58 2HG LYS 58 -10.269 27.712 -0.863 1123 2HG LYS 58 3HG LYS 58 -11.929 27.214 -0.530 1124 1HD LYS 58 2HD LYS 58 -12.772 28.337 -2.366 1125 2HD LYS 58 3HD LYS 58 -11.412 29.461 -2.434 1126 1HE LYS 58 2HE LYS 58 -10.095 28.010 -3.598 1127 2HE LYS 58 3HE LYS 58 -10.832 26.585 -2.869 1128 1HZ LYS 58 1HZ LYS 58 -12.506 26.553 -4.394 1129 2HZ LYS 58 2HZ LYS 58 -11.282 27.220 -5.353 1130 3HZ LYS 58 3HZ LYS 58 -12.462 28.221 -4.670 1131 H GLN 59 H GLN 59 -9.352 30.279 2.519 1132 HA GLN 59 HA GLN 59 -10.701 32.843 3.055 1133 1HB GLN 59 2HB GLN 59 -11.279 30.617 4.361 1134 2HB GLN 59 3HB GLN 59 -9.840 31.043 5.275 1135 1HG GLN 59 2HG GLN 59 -11.089 32.372 6.519 1136 2HG GLN 59 3HG GLN 59 -11.342 33.392 5.103 1137 1HE2 GLN 59 1HE2 GLN 59 -12.858 31.706 7.476 1138 2HE2 GLN 59 2HE2 GLN 59 -14.402 31.483 6.734 1139 H CYS 60 H CYS 60 -7.833 32.035 2.002 1140 HA CYS 60 HA CYS 60 -6.242 33.120 4.155 1141 1HB CYS 60 2HB CYS 60 -5.397 31.197 2.857 1142 2HB CYS 60 3HB CYS 60 -5.426 32.158 1.392 1143 H ARG 61 H ARG 61 -5.333 35.136 4.084 1144 HA ARG 61 HA ARG 61 -5.110 37.346 3.598 1145 1HB ARG 61 2HB ARG 61 -5.415 36.523 0.709 1146 2HB ARG 61 3HB ARG 61 -4.598 37.949 1.333 1147 1HG ARG 61 2HG ARG 61 -3.355 35.755 2.556 1148 2HG ARG 61 3HG ARG 61 -3.561 35.324 0.858 1149 1HD ARG 61 2HD ARG 61 -2.616 37.659 0.360 1150 2HD ARG 61 3HD ARG 61 -2.088 37.654 2.042 1151 HE ARG 61 HE ARG 61 -0.413 36.217 1.461 1152 1HH1 ARG 61 2HH1 ARG 61 -2.849 36.161 -1.025 1153 2HH1 ARG 61 1HH1 ARG 61 -1.924 35.156 -2.091 1154 1HH2 ARG 61 2HH2 ARG 61 0.815 34.894 0.067 1155 2HH2 ARG 61 1HH2 ARG 61 0.160 34.436 -1.469 1156 H LYS 62 H LYS 62 -7.503 36.990 4.508 1157 HA LYS 62 HA LYS 62 -9.289 38.423 2.653 1158 1HB LYS 62 2HB LYS 62 -9.894 35.992 3.193 1159 2HB LYS 62 3HB LYS 62 -10.257 36.563 4.817 1160 1HG LYS 62 2HG LYS 62 -12.312 36.952 4.074 1161 2HG LYS 62 3HG LYS 62 -11.629 38.325 3.201 1162 1HD LYS 62 2HD LYS 62 -12.825 37.103 1.585 1163 2HD LYS 62 3HD LYS 62 -11.131 36.678 1.322 1164 1HE LYS 62 2HE LYS 62 -11.537 34.528 1.730 1165 2HE LYS 62 3HE LYS 62 -12.352 34.910 3.246 1166 1HZ LYS 62 1HZ LYS 62 -14.347 34.674 2.309 1167 2HZ LYS 62 2HZ LYS 62 -13.544 33.884 1.047 1168 3HZ LYS 62 3HZ LYS 62 -13.916 35.529 0.914 1169 H ARG 63 H ARG 63 -9.063 37.641 6.130 1170 HA ARG 63 HA ARG 63 -9.198 40.494 6.745 1171 1HB ARG 63 2HB ARG 63 -11.011 40.264 8.291 1172 2HB ARG 63 3HB ARG 63 -11.531 39.579 6.758 1173 1HG ARG 63 2HG ARG 63 -11.185 37.344 7.583 1174 2HG ARG 63 3HG ARG 63 -10.508 37.972 9.088 1175 1HD ARG 63 2HD ARG 63 -12.782 37.322 9.488 1176 2HD ARG 63 3HD ARG 63 -12.685 39.083 9.536 1177 HE ARG 63 HE ARG 63 -14.082 39.167 7.729 1178 1HH1 ARG 63 2HH1 ARG 63 -12.761 35.956 7.988 1179 2HH1 ARG 63 1HH1 ARG 63 -13.766 35.301 6.738 1180 1HH2 ARG 63 2HH2 ARG 63 -15.412 38.316 6.083 1181 2HH2 ARG 63 1HH2 ARG 63 -15.273 36.645 5.654 1182 H ASP 64 H ASP 64 -8.098 41.073 8.562 1183 HA ASP 64 HA ASP 64 -6.570 40.917 10.241 1184 1HB ASP 64 2HB ASP 64 -8.612 39.799 11.287 1185 2HB ASP 64 3HB ASP 64 -7.831 38.263 10.922 Start of MODEL 17 1 1H5* C 160 1H5* C 160 10.829 14.861 -19.828 2 2H5* C 160 2H5* C 160 11.284 16.123 -18.683 3 H4* C 160 H4* C 160 11.289 14.085 -17.489 4 H3* C 160 H3* C 160 14.034 15.128 -18.101 5 H2* C 160 H2* C 160 15.015 13.321 -16.903 6 2HO* C 160 2HO* C 160 13.748 12.561 -15.309 7 H1* C 160 H1* C 160 13.434 11.398 -18.209 8 1H4 C 160 1H4 C 160 19.000 11.599 -21.376 9 2H4 C 160 2H4 C 160 18.296 12.791 -22.445 10 H5 C 160 H5 C 160 16.168 13.761 -22.116 11 H6 C 160 H6 C 160 14.170 13.825 -20.665 12 1H5* U 161 1H5* U 161 13.538 14.340 -13.995 13 2H5* U 161 2H5* U 161 14.457 15.331 -12.863 14 H4* U 161 H4* U 161 14.937 12.912 -12.683 15 H3* U 161 H3* U 161 17.156 14.831 -13.353 16 H2* U 161 H2* U 161 18.724 13.052 -13.213 17 2HO* U 161 2HO* U 161 17.785 10.956 -12.463 18 H1* U 161 H1* U 161 17.188 11.333 -14.807 19 H3 U 161 H3 U 161 20.973 12.701 -17.085 20 H5 U 161 H5 U 161 17.995 15.504 -17.985 21 H6 U 161 H6 U 161 16.626 14.464 -16.235 22 1H5* G 162 1H5* G 162 18.744 12.903 -9.363 23 2H5* G 162 2H5* G 162 19.424 14.373 -8.666 24 H4* G 162 H4* G 162 21.065 12.558 -8.802 25 H3* G 162 H3* G 162 21.562 15.082 -10.355 26 H2* G 162 H2* G 162 23.703 14.260 -11.003 27 2HO* G 162 2HO* G 162 23.217 11.814 -9.655 28 H1* G 162 H1* G 162 22.691 11.804 -11.856 29 H8 G 162 H8 G 162 20.176 14.368 -12.747 30 H1 G 162 H1 G 162 25.171 14.211 -16.860 31 1H2 G 162 1H2 G 162 26.677 13.047 -16.070 32 2H2 G 162 2H2 G 162 26.599 12.233 -14.524 33 1H5* C 163 1H5* C 163 24.880 14.250 -8.131 34 2H5* C 163 2H5* C 163 25.540 15.591 -7.196 35 H4* C 163 H4* C 163 27.331 14.735 -8.457 36 H3* C 163 H3* C 163 26.247 17.296 -9.598 37 H2* C 163 H2* C 163 27.960 17.290 -11.246 38 2HO* C 163 2HO* C 163 29.603 15.564 -10.984 39 H1* C 163 H1* C 163 27.519 14.593 -11.914 40 1H4 C 163 1H4 C 163 24.195 17.869 -16.270 41 2H4 C 163 2H4 C 163 22.899 18.076 -15.113 42 H5 C 163 H5 C 163 23.026 17.383 -12.858 43 H6 C 163 H6 C 163 24.441 16.312 -11.142 44 1H5* C 164 1H5* C 164 30.326 17.712 -9.131 45 2H5* C 164 2H5* C 164 30.831 19.189 -8.310 46 H4* C 164 H4* C 164 32.070 19.100 -10.307 47 H3* C 164 H3* C 164 29.820 21.079 -10.419 48 H2* C 164 H2* C 164 30.459 21.730 -12.612 49 2HO* C 164 2HO* C 164 32.523 21.093 -13.331 50 H1* C 164 H1* C 164 30.698 19.048 -13.480 51 1H4 C 164 1H4 C 164 24.951 20.891 -15.561 52 2H4 C 164 2H4 C 164 24.298 20.638 -13.958 53 H5 C 164 H5 C 164 25.608 20.056 -12.080 54 H6 C 164 H6 C 164 27.890 19.570 -11.271 55 1H5* C 165 1H5* C 165 33.348 23.332 -11.385 56 2H5* C 165 2H5* C 165 33.248 24.981 -10.771 57 H4* C 165 H4* C 165 33.475 24.929 -13.200 58 H3* C 165 H3* C 165 30.920 26.048 -12.060 59 H2* C 165 H2* C 165 30.264 26.708 -14.242 60 2HO* C 165 2HO* C 165 32.433 25.744 -15.619 61 H1* C 165 H1* C 165 31.034 24.209 -15.358 62 1H4 C 165 1H4 C 165 24.679 23.900 -14.753 63 2H4 C 165 2H4 C 165 24.882 23.436 -13.078 64 H5 C 165 H5 C 165 26.968 23.381 -11.973 65 H6 C 165 H6 C 165 29.396 23.761 -12.202 66 1H5* U 166 1H5* U 166 32.817 29.846 -13.994 67 2H5* U 166 2H5* U 166 32.154 31.107 -12.955 68 H4* U 166 H4* U 166 31.607 31.283 -15.408 69 H3* U 166 H3* U 166 29.477 31.307 -13.282 70 H2* U 166 H2* U 166 27.845 31.769 -14.946 71 2HO* U 166 2HO* U 166 28.619 32.408 -17.021 72 H1* U 166 H1* U 166 28.789 29.763 -16.671 73 H3 U 166 H3 U 166 24.670 28.514 -15.041 74 H5 U 166 H5 U 166 27.456 27.179 -12.213 75 H6 U 166 H6 U 166 29.155 28.465 -13.427 76 1H5* C 167 1H5* C 167 28.829 34.758 -15.488 77 2H5* C 167 2H5* C 167 28.835 36.195 -14.466 78 H4* C 167 H4* C 167 26.866 36.388 -15.681 79 H3* C 167 H3* C 167 26.289 35.249 -12.959 80 H2* C 167 H2* C 167 23.958 35.302 -13.443 81 2HO* C 167 2HO* C 167 23.295 36.521 -15.248 82 H1* C 167 H1* C 167 24.274 34.049 -15.925 83 1H4 C 167 1H4 C 167 23.007 29.197 -11.989 84 2H4 C 167 2H4 C 167 24.637 29.276 -11.358 85 H5 C 167 H5 C 167 26.209 30.925 -11.977 86 H6 C 167 H6 C 167 26.609 32.925 -13.370 87 1H5* A 168 1H5* A 168 27.306 39.555 -12.556 88 2H5* A 168 2H5* A 168 26.485 40.642 -11.437 89 H4* A 168 H4* A 168 25.957 40.725 -14.403 90 H3* A 168 H3* A 168 28.241 42.003 -12.903 91 H2* A 168 H2* A 168 27.977 43.938 -14.127 92 2HO* A 168 2HO* A 168 26.469 43.045 -16.213 93 H1* A 168 H1* A 168 25.133 43.204 -14.665 94 H8 A 168 H8 A 168 26.906 45.921 -14.559 95 1H6 A 168 1H6 A 168 23.673 48.655 -9.973 96 2H6 A 168 2H6 A 168 24.799 48.944 -11.281 97 H2 A 168 H2 A 168 22.783 44.302 -9.898 98 1H5* U 169 1H5* U 169 30.435 43.609 -13.785 99 2H5* U 169 2H5* U 169 30.943 44.307 -15.323 100 H4* U 169 H4* U 169 32.513 42.189 -13.843 101 H3* U 169 H3* U 169 32.681 45.197 -13.643 102 H2* U 169 H2* U 169 34.994 45.030 -13.382 103 2HO* U 169 2HO* U 169 35.489 43.421 -12.014 104 H1* U 169 H1* U 169 35.052 42.657 -15.116 105 H3 U 169 H3 U 169 38.362 44.924 -17.145 106 H5 U 169 H5 U 169 35.094 47.518 -17.494 107 H6 U 169 H6 U 169 33.822 45.944 -16.109 108 1H5* C 170 1H5* C 170 29.930 46.183 -12.089 109 2H5* C 170 2H5* C 170 30.454 47.077 -10.662 110 H4* C 170 H4* C 170 28.077 46.808 -10.580 111 H3* C 170 H3* C 170 29.608 45.181 -8.562 112 H2* C 170 H2* C 170 27.562 44.484 -7.586 113 2HO* C 170 2HO* C 170 26.302 46.277 -7.688 114 H1* C 170 H1* C 170 26.408 43.974 -10.149 115 1H4 C 170 1H4 C 170 27.904 38.205 -7.858 116 2H4 C 170 2H4 C 170 29.573 38.472 -8.306 117 H5 C 170 H5 C 170 30.394 40.510 -9.174 118 H6 C 170 H6 C 170 29.807 42.817 -9.831 119 1H5* C 171 1H5* C 171 29.006 49.505 -6.331 120 2H5* C 171 2H5* C 171 30.376 49.533 -5.221 121 H4* C 171 H4* C 171 28.206 49.328 -4.075 122 H3* C 171 H3* C 171 30.203 47.085 -3.769 123 H2* C 171 H2* C 171 28.805 46.129 -2.117 124 2HO* C 171 2HO* C 171 26.799 47.996 -2.133 125 H1* C 171 H1* C 171 26.455 46.630 -3.662 126 1H4 C 171 1H4 C 171 27.592 40.383 -4.358 127 2H4 C 171 2H4 C 171 28.803 40.754 -5.565 128 H5 C 171 H5 C 171 29.489 42.946 -6.111 129 H6 C 171 H6 C 171 29.177 45.348 -5.629 130 1H5* G 172 1H5* G 172 30.004 48.996 0.629 131 2H5* G 172 2H5* G 172 31.667 48.642 1.097 132 H4* G 172 H4* G 172 29.987 47.789 2.695 133 H3* G 172 H3* G 172 31.878 45.885 1.343 134 H2* G 172 H2* G 172 31.025 44.100 2.672 135 2HO* G 172 2HO* G 172 29.046 45.494 3.964 136 H1* G 172 H1* G 172 28.364 44.705 2.083 137 H8 G 172 H8 G 172 30.324 45.352 -0.990 138 H1 G 172 H1 G 172 29.110 39.063 -0.060 139 1H2 G 172 1H2 G 172 28.370 38.778 1.844 140 2H2 G 172 2H2 G 172 28.117 40.054 3.014 141 1H5* U 173 1H5* U 173 32.290 45.148 5.435 142 2H5* U 173 2H5* U 173 33.981 45.176 5.939 143 H4* U 173 H4* U 173 33.082 43.138 6.714 144 H3* U 173 H3* U 173 34.856 42.806 4.314 145 H2* U 173 H2* U 173 34.599 40.448 4.433 146 2HO* U 173 2HO* U 173 33.274 39.723 6.365 147 H1* U 173 H1* U 173 31.806 40.600 4.708 148 H3 U 173 H3 U 173 32.645 38.797 0.584 149 H5 U 173 H5 U 173 32.994 42.936 0.051 150 H6 U 173 H6 U 173 32.842 43.163 2.488 151 1H5* C 174 1H5* C 174 36.973 40.084 7.358 152 2H5* C 174 2H5* C 174 38.655 40.493 7.016 153 H4* C 174 H4* C 174 38.235 38.092 6.828 154 H3* C 174 H3* C 174 39.075 39.580 4.350 155 H2* C 174 H2* C 174 39.238 37.510 3.189 156 2HO* C 174 2HO* C 174 38.771 35.576 4.646 157 H1* C 174 H1* C 174 36.726 36.632 4.135 158 1H4 C 174 1H4 C 174 35.729 38.958 -1.750 159 2H4 C 174 2H4 C 174 35.396 40.517 -1.029 160 H5 C 174 H5 C 174 35.679 40.991 1.268 161 H6 C 174 H6 C 174 36.360 40.078 3.458 162 1H5* U 175 1H5* U 175 44.713 39.771 5.554 163 2H5* U 175 2H5* U 175 43.552 40.977 5.001 164 H4* U 175 H4* U 175 42.955 38.766 3.442 165 H3* U 175 H3* U 175 45.891 38.743 4.053 166 H2* U 175 H2* U 175 46.391 38.267 1.779 167 2HO* U 175 2HO* U 175 44.121 38.210 0.517 168 H1* U 175 H1* U 175 44.682 40.298 0.827 169 H3 U 175 H3 U 175 48.802 41.868 -0.226 170 H5 U 175 H5 U 175 48.541 42.421 3.918 171 H6 U 175 H6 U 175 46.429 41.178 3.851 172 1H5* C 176 1H5* C 176 42.621 35.724 4.902 173 2H5* C 176 2H5* C 176 42.805 34.361 6.007 174 H4* C 176 H4* C 176 42.939 32.812 4.305 175 H3* C 176 H3* C 176 43.980 35.026 2.549 176 H2* C 176 H2* C 176 43.283 33.802 0.635 177 2HO* C 176 2HO* C 176 42.149 31.632 1.589 178 H1* C 176 H1* C 176 40.742 33.258 1.734 179 1H4 C 176 1H4 C 176 39.927 38.308 -2.109 180 2H4 C 176 2H4 C 176 40.335 39.353 -0.767 181 H5 C 176 H5 C 176 41.090 38.569 1.329 182 H6 C 176 H6 C 176 41.645 36.569 2.665 183 1H5* G 177 1H5* G 177 45.603 31.241 0.818 184 2H5* G 177 2H5* G 177 47.339 31.554 0.790 185 H4* G 177 H4* G 177 46.794 30.701 -1.334 186 H3* G 177 H3* G 177 47.258 33.662 -1.339 187 H2* G 177 H2* G 177 46.919 33.741 -3.696 188 2HO* G 177 2HO* G 177 46.356 31.417 -4.542 189 H1* G 177 H1* G 177 44.517 32.326 -3.571 190 H8 G 177 H8 G 177 44.693 34.525 -0.587 191 H1 G 177 H1 G 177 42.858 37.662 -5.941 192 1H2 G 177 1H2 G 177 43.158 36.453 -7.585 193 2H2 G 177 2H2 G 177 43.811 34.832 -7.522 194 1H5* C 178 1H5* C 178 49.318 32.194 -4.445 195 2H5* C 178 2H5* C 178 50.993 32.726 -4.595 196 H4* C 178 H4* C 178 49.892 33.231 -6.637 197 H3* C 178 H3* C 178 50.461 35.640 -4.932 198 H2* C 178 H2* C 178 49.619 37.055 -6.632 199 2HO* C 178 2HO* C 178 50.159 36.221 -8.562 200 H1* C 178 H1* C 178 47.367 35.363 -7.085 201 1H4 C 178 1H4 C 178 45.060 40.242 -3.676 202 2H4 C 178 2H4 C 178 45.725 39.530 -2.223 203 H5 C 178 H5 C 178 47.083 37.597 -2.207 204 H6 C 178 H6 C 178 48.148 35.856 -3.596 205 1H5* U 179 1H5* U 179 52.385 36.395 -8.700 206 2H5* U 179 2H5* U 179 53.864 37.331 -8.487 207 H4* U 179 H4* U 179 52.237 38.485 -9.902 208 H3* U 179 H3* U 179 52.981 39.768 -7.279 209 H2* U 179 H2* U 179 51.724 41.680 -7.878 210 2HO* U 179 2HO* U 179 50.979 41.757 -10.132 211 H1* U 179 H1* U 179 49.568 40.087 -8.869 212 H3 U 179 H3 U 179 48.046 42.686 -5.380 213 H5 U 179 H5 U 179 49.703 39.266 -3.618 214 H6 U 179 H6 U 179 50.595 38.681 -5.827 215 1H5* U 180 1H5* U 180 53.613 42.258 -10.354 216 2H5* U 180 2H5* U 180 55.028 43.308 -10.397 217 H4* U 180 H4* U 180 53.121 44.699 -10.572 218 H3* U 180 H3* U 180 54.483 44.822 -7.902 219 H2* U 180 H2* U 180 52.941 46.455 -7.147 220 2HO* U 180 2HO* U 180 51.603 47.454 -8.750 221 H1* U 180 H1* U 180 50.719 45.016 -8.194 222 H3 U 180 H3 U 180 49.949 44.961 -3.724 223 H5 U 180 H5 U 180 53.114 42.267 -4.238 224 H6 U 180 H6 U 180 53.214 42.984 -6.581 225 1H5* A 181 1H5* A 181 56.878 48.617 -9.853 226 2H5* A 181 2H5* A 181 58.226 48.536 -8.718 227 H4* A 181 H4* A 181 56.729 50.562 -8.549 228 H3* A 181 H3* A 181 57.390 48.827 -6.182 229 H2* A 181 H2* A 181 56.238 50.340 -4.761 230 2HO* A 181 2HO* A 181 56.892 52.245 -5.757 231 H1* A 181 H1* A 181 53.986 50.474 -6.417 232 H8 A 181 H8 A 181 55.443 47.017 -6.298 233 1H6 A 181 1H6 A 181 51.812 46.033 -1.317 234 2H6 A 181 2H6 A 181 52.884 45.262 -2.465 235 H2 A 181 H2 A 181 51.601 50.347 -2.361 236 1H5* U 182 1H5* U 182 59.799 48.807 -3.317 237 2H5* U 182 2H5* U 182 58.069 48.621 -3.603 238 H4* U 182 H4* U 182 59.503 49.958 -1.395 239 H3* U 182 H3* U 182 56.918 48.429 -1.705 240 H2* U 182 H2* U 182 56.114 49.407 0.232 241 2HO* U 182 2HO* U 182 57.732 48.914 1.636 242 H1* U 182 H1* U 182 57.874 51.759 -0.214 243 H3 U 182 H3 U 182 54.110 53.826 1.244 244 H5 U 182 H5 U 182 52.984 52.142 -2.421 245 H6 U 182 H6 U 182 55.164 51.018 -2.462 246 1H5* U 183 1H5* U 183 57.976 43.880 0.813 247 2H5* U 183 2H5* U 183 59.033 44.617 2.018 248 H4* U 183 H4* U 183 59.684 42.725 -0.197 249 H3* U 183 H3* U 183 60.427 42.971 2.723 250 H2* U 183 H2* U 183 62.273 41.574 2.315 251 2HO* U 183 2HO* U 183 61.947 40.873 -0.249 252 H1* U 183 H1* U 183 62.704 42.805 -0.279 253 H3 U 183 H3 U 183 66.676 42.994 2.034 254 H5 U 183 H5 U 183 64.384 46.190 3.470 255 H6 U 183 H6 U 183 62.484 45.255 2.233 256 1H5* C 184 1H5* C 184 60.038 42.834 4.871 257 2H5* C 184 2H5* C 184 61.671 42.256 5.202 258 H4* C 184 H4* C 184 59.226 40.908 6.347 259 H3* C 184 H3* C 184 60.700 43.312 7.430 260 H2* C 184 H2* C 184 60.393 42.505 9.586 261 2HO* C 184 2HO* C 184 58.618 40.599 9.462 262 H1* C 184 H1* C 184 60.386 39.730 8.556 263 1H4 C 184 1H4 C 184 65.070 39.837 12.904 264 2H4 C 184 2H4 C 184 66.081 40.694 11.762 265 H5 C 184 H5 C 184 65.329 41.467 9.661 266 H6 C 184 H6 C 184 63.403 41.613 8.124 267 1H5* G 185 1H5* G 185 55.375 46.305 7.600 268 2H5* G 185 2H5* G 185 56.415 46.089 9.008 269 H4* G 185 H4* G 185 54.570 43.950 7.928 270 H3* G 185 H3* G 185 54.022 46.147 9.889 271 H2* G 185 H2* G 185 52.745 44.665 11.249 272 2HO* G 185 2HO* G 185 53.333 42.477 9.560 273 H1* G 185 H1* G 185 54.738 42.713 11.293 274 H8 G 185 H8 G 185 56.943 45.454 11.571 275 H1 G 185 H1 G 185 53.165 45.190 16.818 276 1H2 G 185 1H2 G 185 51.551 43.963 16.444 277 2H2 G 185 2H2 G 185 51.263 43.131 14.932 278 1H5* G 186 1H5* G 186 48.517 46.917 8.701 279 2H5* G 186 2H5* G 186 49.461 47.274 10.148 280 H4* G 186 H4* G 186 48.650 44.478 10.039 281 H3* G 186 H3* G 186 46.512 46.551 9.666 282 H2* G 186 H2* G 186 45.093 45.380 11.180 283 2HO* G 186 2HO* G 186 46.483 43.364 12.064 284 H1* G 186 H1* G 186 47.061 45.187 13.147 285 H8 G 186 H8 G 186 45.173 46.534 14.344 286 H1 G 186 H1 G 186 46.654 51.795 10.879 287 1H2 G 186 1H2 G 186 47.948 51.278 9.360 288 2H2 G 186 2H2 G 186 48.544 49.659 9.068 289 1H5* G 187 1H5* G 187 43.753 46.903 6.351 290 2H5* G 187 2H5* G 187 44.896 46.040 5.322 291 H4* G 187 H4* G 187 44.926 48.906 6.208 292 H3* G 187 H3* G 187 44.952 47.469 3.572 293 H2* G 187 H2* G 187 46.120 49.295 2.583 294 2HO* G 187 2HO* G 187 46.547 50.912 4.662 295 H1* G 187 H1* G 187 48.054 49.371 4.591 296 H8 G 187 H8 G 187 47.321 45.800 4.116 297 H1 G 187 H1 G 187 51.042 48.200 -0.605 298 1H2 G 187 1H2 G 187 51.056 50.258 -0.492 299 2H2 G 187 2H2 G 187 50.188 51.195 0.703 300 1H5* G 188 1H5* G 188 44.413 51.459 2.397 301 2H5* G 188 2H5* G 188 42.756 51.479 1.795 302 H4* G 188 H4* G 188 43.929 52.589 0.139 303 H3* G 188 H3* G 188 43.575 49.708 -0.646 304 H2* G 188 H2* G 188 44.612 50.163 -2.742 305 2HO* G 188 2HO* G 188 44.800 52.321 -3.356 306 H1* G 188 H1* G 188 46.792 51.461 -1.569 307 H8 G 188 H8 G 188 46.008 48.668 0.688 308 H1 G 188 H1 G 188 49.091 46.720 -4.659 309 1H2 G 188 1H2 G 188 49.114 48.253 -6.037 310 2H2 G 188 2H2 G 188 48.405 49.831 -5.783 311 1H5* A 189 1H5* A 189 41.903 51.739 -4.457 312 2H5* A 189 2H5* A 189 40.627 50.566 -4.779 313 H4* A 189 H4* A 189 42.376 50.873 -6.582 314 H3* A 189 H3* A 189 41.631 48.176 -5.472 315 H2* A 189 H2* A 189 43.032 47.140 -7.086 316 2HO* A 189 2HO* A 189 43.944 48.612 -8.732 317 H1* A 189 H1* A 189 45.188 48.860 -6.582 318 H8 A 189 H8 A 189 43.448 48.003 -3.394 319 1H6 A 189 1H6 A 189 47.044 42.908 -3.157 320 2H6 A 189 2H6 A 189 45.902 43.880 -2.256 321 H2 A 189 H2 A 189 47.584 44.807 -7.138 322 1H5* G 190 1H5* G 190 41.140 48.107 -9.874 323 2H5* G 190 2H5* G 190 39.580 47.349 -10.190 324 H4* G 190 H4* G 190 41.220 46.303 -11.573 325 H3* G 190 H3* G 190 40.189 44.609 -9.320 326 H2* G 190 H2* G 190 41.477 42.764 -10.104 327 2HO* G 190 2HO* G 190 42.827 43.876 -12.143 328 H1* G 190 H1* G 190 43.827 44.259 -10.279 329 H8 G 190 H8 G 190 41.982 45.450 -7.294 330 H1 G 190 H1 G 190 45.178 39.922 -6.243 331 1H2 G 190 1H2 G 190 45.838 39.156 -8.041 332 2H2 G 190 2H2 G 190 45.566 39.901 -9.601 333 1H5* C 191 1H5* C 191 39.908 42.416 -12.903 334 2H5* C 191 2H5* C 191 38.381 41.547 -13.057 335 H4* C 191 H4* C 191 40.162 39.990 -13.350 336 H3* C 191 H3* C 191 38.683 39.707 -10.746 337 H2* C 191 H2* C 191 39.944 37.751 -10.258 338 2HO* C 191 2HO* C 191 41.072 36.786 -11.972 339 H1* C 191 H1* C 191 42.389 38.971 -10.902 340 1H4 C 191 1H4 C 191 41.868 39.607 -4.566 341 2H4 C 191 2H4 C 191 40.892 41.039 -4.807 342 H5 C 191 H5 C 191 40.167 41.796 -6.924 343 H6 C 191 H6 C 191 40.200 41.359 -9.354 344 1H5* G 192 1H5* G 192 38.952 35.839 -12.312 345 2H5* G 192 2H5* G 192 37.307 35.268 -12.589 346 H4* G 192 H4* G 192 38.314 33.493 -11.495 347 H3* G 192 H3* G 192 36.743 35.146 -9.542 348 H2* G 192 H2* G 192 37.286 33.618 -7.797 349 2HO* G 192 2HO* G 192 37.896 31.591 -8.421 350 H1* G 192 H1* G 192 40.016 33.656 -8.380 351 H8 G 192 H8 G 192 38.569 37.056 -8.912 352 H1 G 192 H1 G 192 39.998 35.801 -2.726 353 1H2 G 192 1H2 G 192 40.451 33.801 -2.516 354 2H2 G 192 2H2 G 192 40.445 32.636 -3.822 355 1H5* G 193 1H5* G 193 35.777 31.210 -9.128 356 2H5* G 193 2H5* G 193 34.066 30.798 -9.038 357 H4* G 193 H4* G 193 35.106 29.804 -7.164 358 H3* G 193 H3* G 193 33.474 32.228 -6.487 359 H2* G 193 H2* G 193 33.936 31.916 -4.170 360 2HO* G 193 2HO* G 193 35.643 29.738 -4.632 361 H1* G 193 H1* G 193 36.687 31.681 -4.573 362 H8 G 193 H8 G 193 35.297 34.207 -6.940 363 H1 G 193 H1 G 193 36.412 36.570 -1.020 364 1H2 G 193 1H2 G 193 36.834 35.019 0.273 365 2H2 G 193 2H2 G 193 36.880 33.330 -0.180 366 1H5* A 194 1H5* A 194 32.489 29.263 -3.826 367 2H5* A 194 2H5* A 194 30.784 28.821 -3.913 368 H4* A 194 H4* A 194 31.200 29.031 -1.635 369 H3* A 194 H3* A 194 29.843 31.464 -2.725 370 H2* A 194 H2* A 194 29.844 32.492 -0.580 371 2HO* A 194 2HO* A 194 31.083 30.852 1.017 372 H1* A 194 H1* A 194 32.566 31.959 -0.151 373 H8 A 194 H8 A 194 31.855 32.928 -3.704 374 1H6 A 194 1H6 A 194 32.644 38.846 -1.887 375 2H6 A 194 2H6 A 194 32.433 37.806 -3.279 376 H2 A 194 H2 A 194 32.600 36.274 1.735 377 1H5* C 195 1H5* C 195 27.710 30.318 0.750 378 2H5* C 195 2H5* C 195 25.967 30.312 0.479 379 H4* C 195 H4* C 195 26.396 31.663 2.384 380 H3* C 195 H3* C 195 25.598 33.190 -0.070 381 H2* C 195 H2* C 195 25.670 35.233 1.136 382 2HO* C 195 2HO* C 195 25.810 35.089 3.436 383 H1* C 195 H1* C 195 28.176 34.607 2.302 384 1H4 C 195 1H4 C 195 29.594 38.517 -2.542 385 2H4 C 195 2H4 C 195 29.436 37.177 -3.657 386 H5 C 195 H5 C 195 28.708 35.020 -3.029 387 H6 C 195 H6 C 195 27.943 33.604 -1.157 388 1H5* G 196 1H5* G 196 22.434 34.364 3.054 389 2H5* G 196 2H5* G 196 20.953 34.381 2.096 390 H4* G 196 H4* G 196 21.250 36.483 3.272 391 H3* G 196 H3* G 196 21.381 36.543 0.272 392 H2* G 196 H2* G 196 21.550 38.920 0.327 393 2HO* G 196 2HO* G 196 21.449 39.828 2.604 394 H1* G 196 H1* G 196 23.612 38.902 2.205 395 H8 G 196 H8 G 196 24.121 36.008 -0.059 396 H1 G 196 H1 G 196 26.142 41.602 -2.608 397 1H2 G 196 1H2 G 196 25.474 43.169 -1.445 398 2H2 G 196 2H2 G 196 24.510 42.994 0.004 399 1H5* A 197 1H5* A 197 18.422 38.463 -0.313 400 2H5* A 197 2H5* A 197 17.503 38.275 1.180 401 H4* A 197 H4* A 197 15.445 38.009 -0.043 402 H3* A 197 H3* A 197 17.196 37.815 -2.475 403 H2* A 197 H2* A 197 15.729 39.076 -3.725 404 2HO* A 197 2HO* A 197 13.773 38.321 -1.751 405 H1* A 197 H1* A 197 14.649 40.288 -1.212 406 H8 A 197 H8 A 197 17.757 40.913 -3.380 407 1H6 A 197 1H6 A 197 15.197 46.485 -4.543 408 2H6 A 197 2H6 A 197 16.596 45.477 -4.842 409 H2 A 197 H2 A 197 12.406 44.184 -1.963 410 1H5* U 198 1H5* U 198 15.520 34.143 -1.002 411 2H5* U 198 2H5* U 198 16.362 33.169 -2.206 412 H4* U 198 H4* U 198 14.073 32.043 -2.604 413 H3* U 198 H3* U 198 13.511 33.476 -0.002 414 H2* U 198 H2* U 198 12.196 31.659 0.657 415 2HO* U 198 2HO* U 198 12.341 30.459 -1.900 416 H1* U 198 H1* U 198 13.958 29.811 -0.780 417 H3 U 198 H3 U 198 15.248 27.657 2.916 418 H5 U 198 H5 U 198 14.232 31.440 4.398 419 H6 U 198 H6 U 198 13.783 32.117 2.085 420 1H5* G 199 1H5* G 199 9.861 36.759 -2.875 421 2H5* G 199 2H5* G 199 9.594 36.637 -1.137 422 H4* G 199 H4* G 199 7.459 36.696 -2.122 423 H3* G 199 H3* G 199 8.267 34.000 -1.134 424 H2* G 199 H2* G 199 6.236 33.017 -1.899 425 2HO* G 199 2HO* G 199 4.679 34.526 -1.718 426 H1* G 199 H1* G 199 6.484 34.083 -4.467 427 H8 G 199 H8 G 199 9.276 32.664 -2.236 428 H1 G 199 H1 G 199 7.565 28.984 -7.277 429 1H2 G 199 1H2 G 199 6.039 29.904 -8.315 430 2H2 G 199 2H2 G 199 5.328 31.442 -7.883 431 1H5* A 200 1H5* A 200 8.011 36.672 2.558 432 2H5* A 200 2H5* A 200 9.640 36.839 1.904 433 H4* A 200 H4* A 200 9.387 36.383 4.408 434 H3* A 200 H3* A 200 11.268 34.900 2.589 435 H2* A 200 H2* A 200 12.130 33.709 4.455 436 2HO* A 200 2HO* A 200 10.372 34.973 6.254 437 H1* A 200 H1* A 200 9.607 33.048 5.452 438 H8 A 200 H8 A 200 9.335 32.864 1.778 439 1H6 A 200 1H6 A 200 11.843 27.157 2.105 440 2H6 A 200 2H6 A 200 11.034 28.292 1.048 441 H2 A 200 H2 A 200 12.271 29.096 6.081 442 1H5* C 201 1H5* C 201 15.384 37.339 6.194 443 2H5* C 201 2H5* C 201 15.361 35.862 5.231 444 H4* C 201 H4* C 201 12.979 36.645 6.891 445 H3* C 201 H3* C 201 15.517 35.355 7.899 446 H2* C 201 H2* C 201 14.215 34.123 9.435 447 2HO* C 201 2HO* C 201 12.943 36.073 9.836 448 H1* C 201 H1* C 201 12.171 33.687 7.441 449 1H4 C 201 1H4 C 201 14.948 27.988 8.189 450 2H4 C 201 2H4 C 201 16.310 28.537 7.240 451 H5 C 201 H5 C 201 16.560 30.750 6.456 452 H6 C 201 H6 C 201 15.554 33.005 6.387 453 1H5* C 202 1H5* C 202 13.666 37.313 11.418 454 2H5* C 202 2H5* C 202 14.915 37.664 12.614 455 H4* C 202 H4* C 202 13.177 36.130 13.448 456 H3* C 202 H3* C 202 16.023 35.140 13.304 457 H2* C 202 H2* C 202 15.364 33.181 14.450 458 2HO* C 202 2HO* C 202 13.398 33.253 15.602 459 H1* C 202 H1* C 202 12.958 32.970 12.903 460 1H4 C 202 1H4 C 202 16.927 28.454 10.698 461 2H4 C 202 2H4 C 202 17.601 29.639 9.602 462 H5 C 202 H5 C 202 17.034 31.931 9.632 463 H6 C 202 H6 C 202 15.667 33.669 10.732 464 1H5* C 203 1H5* C 203 15.525 35.468 18.030 465 2H5* C 203 2H5* C 203 17.232 35.655 18.431 466 H4* C 203 H4* C 203 16.108 33.673 19.460 467 H3* C 203 H3* C 203 18.569 33.357 17.755 468 H2* C 203 H2* C 203 18.639 31.048 18.328 469 2HO* C 203 2HO* C 203 17.303 30.359 20.061 470 H1* C 203 H1* C 203 15.910 30.674 17.764 471 1H4 C 203 1H4 C 203 18.938 28.868 12.435 472 2H4 C 203 2H4 C 203 19.006 30.541 11.928 473 H5 C 203 H5 C 203 18.304 32.353 13.270 474 H6 C 203 H6 C 203 17.353 33.013 15.450 475 1H5* U 204 1H5* U 204 18.910 31.724 21.413 476 2H5* U 204 2H5* U 204 20.398 31.829 22.352 477 H4* U 204 H4* U 204 19.756 29.530 22.158 478 H3* U 204 H3* U 204 22.212 30.317 20.613 479 H2* U 204 H2* U 204 22.551 28.042 20.002 480 2HO* U 204 2HO* U 204 21.894 26.838 21.696 481 H1* U 204 H1* U 204 19.916 27.691 19.153 482 H3 U 204 H3 U 204 22.712 27.796 15.490 483 H5 U 204 H5 U 204 21.627 31.776 16.213 484 H6 U 204 H6 U 204 20.638 31.018 18.326 485 1H5* A 205 1H5* A 205 24.430 28.841 24.592 486 2H5* A 205 2H5* A 205 26.051 29.447 24.251 487 H4* A 205 H4* A 205 25.557 26.933 23.954 488 H3* A 205 H3* A 205 27.080 28.646 22.002 489 H2* A 205 H2* A 205 27.543 26.718 20.697 490 2HO* A 205 2HO* A 205 26.270 24.785 22.034 491 H1* A 205 H1* A 205 24.894 25.813 20.750 492 H8 A 205 H8 A 205 24.686 29.472 20.428 493 1H6 A 205 1H6 A 205 25.739 28.788 14.314 494 2H6 A 205 2H6 A 205 25.248 29.925 15.550 495 H2 A 205 H2 A 205 26.540 24.898 16.307 496 1H5* G 206 1H5* G 206 30.856 29.366 21.557 497 2H5* G 206 2H5* G 206 29.756 29.549 20.190 498 H4* G 206 H4* G 206 32.064 28.697 19.654 499 H3* G 206 H3* G 206 29.569 27.263 18.787 500 H2* G 206 H2* G 206 30.895 25.709 17.563 501 2HO* G 206 2HO* G 206 32.604 26.823 16.795 502 H1* G 206 H1* G 206 32.604 25.211 19.714 503 H8 G 206 H8 G 206 29.188 25.650 21.084 504 H1 G 206 H1 G 206 30.157 19.774 18.551 505 1H2 G 206 1H2 G 206 31.925 19.764 17.489 506 2H2 G 206 2H2 G 206 32.987 21.144 17.312 507 1H5* U 207 1H5* U 207 28.714 27.588 14.221 508 2H5* U 207 2H5* U 207 30.223 27.653 13.311 509 H4* U 207 H4* U 207 28.213 29.178 12.652 510 H3* U 207 H3* U 207 31.119 29.952 12.707 511 H2* U 207 H2* U 207 30.563 32.097 11.860 512 2HO* U 207 2HO* U 207 27.882 31.943 11.697 513 H1* U 207 H1* U 207 28.493 32.514 13.680 514 H3 U 207 H3 U 207 31.526 35.272 15.516 515 H5 U 207 H5 U 207 33.242 31.493 16.075 516 H6 U 207 H6 U 207 31.383 30.565 14.773 517 1H5* A 208 1H5* A 208 31.761 30.285 7.405 518 2H5* A 208 2H5* A 208 30.242 29.803 6.650 519 H4* A 208 H4* A 208 31.980 28.504 5.680 520 H3* A 208 H3* A 208 30.122 27.026 7.487 521 H2* A 208 H2* A 208 31.308 24.986 7.172 522 2HO* A 208 2HO* A 208 33.311 26.159 5.609 523 H1* A 208 H1* A 208 33.789 26.143 7.743 524 H8 A 208 H8 A 208 30.564 27.054 9.604 525 1H6 A 208 1H6 A 208 32.721 23.349 14.139 526 2H6 A 208 2H6 A 208 31.423 24.433 13.691 527 H2 A 208 H2 A 208 35.568 23.177 10.731 528 1H5* G 209 1H5* G 209 29.118 25.003 4.507 529 2H5* G 209 2H5* G 209 27.437 24.472 4.452 530 H4* G 209 H4* G 209 28.955 23.038 5.821 531 H3* G 209 H3* G 209 26.472 24.259 6.991 532 H2* G 209 H2* G 209 26.850 23.076 9.024 533 2HO* G 209 2HO* G 209 29.258 21.940 8.366 534 H1* G 209 H1* G 209 29.510 23.903 9.207 535 H8 G 209 H8 G 209 27.597 26.753 7.833 536 H1 G 209 H1 G 209 26.902 26.119 14.235 537 1H2 G 209 1H2 G 209 27.670 24.302 14.835 538 2H2 G 209 2H2 G 209 28.395 23.125 13.763 539 1H5* A 210 1H5* A 210 26.663 20.351 8.665 540 2H5* A 210 2H5* A 210 25.090 19.642 8.294 541 H4* A 210 H4* A 210 25.527 19.472 10.655 542 H3* A 210 H3* A 210 23.333 21.388 9.883 543 H2* A 210 H2* A 210 22.803 21.654 12.181 544 2HO* A 210 2HO* A 210 24.571 20.118 13.423 545 H1* A 210 H1* A 210 25.511 21.968 12.922 546 H8 A 210 H8 A 210 24.748 23.819 9.774 547 1H6 A 210 1H6 A 210 22.929 28.582 13.376 548 2H6 A 210 2H6 A 210 23.280 28.101 11.731 549 H2 A 210 H2 A 210 23.588 25.041 15.980 550 1H5* G 211 1H5* G 211 21.791 18.318 12.646 551 2H5* G 211 2H5* G 211 20.132 17.923 12.199 552 H4* G 211 H4* G 211 20.322 18.532 14.558 553 H3* G 211 H3* G 211 18.659 20.279 12.765 554 H2* G 211 H2* G 211 17.972 21.554 14.657 555 2HO* G 211 2HO* G 211 19.630 19.966 16.332 556 H1* G 211 H1* G 211 20.585 21.896 15.584 557 H8 G 211 H8 G 211 20.841 22.098 11.925 558 H1 G 211 H1 G 211 18.395 27.499 14.521 559 1H2 G 211 1H2 G 211 17.897 27.151 16.492 560 2H2 G 211 2H2 G 211 18.110 25.625 17.317 561 1H5* G 212 1H5* G 212 15.128 18.828 15.848 562 2H5* G 212 2H5* G 212 14.008 18.649 14.497 563 H4* G 212 H4* G 212 13.221 20.136 16.348 564 H3* G 212 H3* G 212 13.366 21.098 13.504 565 H2* G 212 H2* G 212 12.347 23.152 14.154 566 2HO* G 212 2HO* G 212 11.994 23.058 16.709 567 H1* G 212 H1* G 212 14.113 23.552 16.279 568 H8 G 212 H8 G 212 16.002 22.021 13.468 569 H1 G 212 H1 G 212 15.124 28.395 12.771 570 1H2 G 212 1H2 G 212 13.766 29.061 14.173 571 2H2 G 212 2H2 G 212 12.981 28.044 15.360 572 1H5* G 213 1H5* G 213 9.074 21.451 14.750 573 2H5* G 213 2H5* G 213 8.079 21.175 13.321 574 H4* G 213 H4* G 213 7.651 23.349 14.402 575 H3* G 213 H3* G 213 8.598 23.252 11.555 576 H2* G 213 H2* G 213 8.375 25.618 11.390 577 2HO* G 213 2HO* G 213 6.537 25.871 12.641 578 H1* G 213 H1* G 213 9.808 26.080 13.748 579 H8 G 213 H8 G 213 11.521 23.260 12.141 580 H1 G 213 H1 G 213 12.867 28.902 9.271 581 1H2 G 213 1H2 G 213 11.561 30.347 9.946 582 2H2 G 213 2H2 G 213 10.290 30.072 11.116 583 1H5* G 214 1H5* G 214 7.160 26.311 9.880 584 2H5* G 214 2H5* G 214 5.987 25.554 8.803 585 H4* G 214 H4* G 214 7.824 26.626 7.584 586 H3* G 214 H3* G 214 7.436 23.659 7.319 587 H2* G 214 H2* G 214 9.170 23.575 5.687 588 2HO* G 214 2HO* G 214 10.066 25.713 5.069 589 H1* G 214 H1* G 214 10.971 24.998 7.268 590 H8 G 214 H8 G 214 9.090 22.910 9.638 591 H1 G 214 H1 G 214 13.493 19.517 6.323 592 1H2 G 214 1H2 G 214 14.194 20.651 4.750 593 2H2 G 214 2H2 G 214 13.668 22.278 4.384 594 1H5* G 215 1H5* G 215 7.223 25.014 3.114 595 2H5* G 215 2H5* G 215 5.877 24.113 2.414 596 H4* G 215 H4* G 215 8.040 23.836 1.217 597 H3* G 215 H3* G 215 6.586 21.443 2.322 598 H2* G 215 H2* G 215 8.171 20.018 1.258 599 2HO* G 215 2HO* G 215 9.202 20.874 -0.476 600 H1* G 215 H1* G 215 10.360 21.472 2.248 601 H8 G 215 H8 G 215 7.935 21.362 5.001 602 H1 G 215 H1 G 215 11.045 15.736 4.250 603 1H2 G 215 1H2 G 215 12.056 15.743 2.453 604 2H2 G 215 2H2 G 215 12.060 17.074 1.318 605 1H5* C 216 1H5* C 216 4.693 21.359 -2.072 606 2H5* C 216 2H5* C 216 3.277 20.353 -1.765 607 H4* C 216 H4* C 216 5.201 19.332 -3.093 608 H3* C 216 H3* C 216 3.894 17.981 -0.739 609 H2* C 216 H2* C 216 5.189 16.038 -1.169 610 2HO* C 216 2HO* C 216 5.405 15.843 -3.322 611 H1* C 216 H1* C 216 7.579 17.487 -1.467 612 1H4 C 216 1H4 C 216 7.440 15.386 4.590 613 2H4 C 216 2H4 C 216 6.747 16.925 5.050 614 H5 C 216 H5 C 216 6.073 18.579 3.504 615 H6 C 216 H6 C 216 5.896 19.169 1.113 616 1H5* U 217 1H5* U 217 2.059 14.642 -3.573 617 2H5* U 217 2H5* U 217 1.137 14.009 -2.210 618 H4* U 217 H4* U 217 3.395 12.886 -3.269 619 H3* U 217 H3* U 217 2.047 12.568 -0.599 620 H2* U 217 H2* U 217 3.758 11.071 0.081 621 2HO* U 217 2HO* U 217 5.151 10.255 -1.565 622 H1* U 217 H1* U 217 5.839 12.714 -0.764 623 H3 U 217 H3 U 217 5.717 12.835 3.822 624 H5 U 217 H5 U 217 3.004 15.768 2.566 625 H6 U 217 H6 U 217 3.274 14.901 0.288 626 1H5* G 218 1H5* G 218 -0.690 8.291 -1.091 627 2H5* G 218 2H5* G 218 0.525 9.381 -0.426 628 H4* G 218 H4* G 218 1.045 6.908 -1.388 629 H3* G 218 H3* G 218 2.859 9.324 -1.244 630 H2* G 218 H2* G 218 4.611 7.967 -2.032 631 2HO* G 218 2HO* G 218 4.196 6.216 -0.676 632 H1* G 218 H1* G 218 2.826 6.554 -3.818 633 H8 G 218 H8 G 218 2.785 10.283 -4.111 634 H1 G 218 H1 G 218 7.392 7.450 -7.663 635 1H2 G 218 1H2 G 218 7.524 5.455 -7.157 636 2H2 G 218 2H2 G 218 6.534 4.668 -5.949 637 1H5* C 219 1H5* C 219 4.263 6.910 1.615 638 2H5* C 219 2H5* C 219 4.065 5.423 2.542 639 H4* C 219 H4* C 219 4.831 6.633 4.257 640 H3* C 219 H3* C 219 1.951 7.405 4.125 641 H2* C 219 H2* C 219 2.231 9.127 5.715 642 2HO* C 219 2HO* C 219 4.202 9.113 6.942 643 H1* C 219 H1* C 219 4.559 10.158 4.549 644 1H4 C 219 1H4 C 219 -0.532 13.436 2.324 645 2H4 C 219 2H4 C 219 -0.223 12.649 0.793 646 H5 C 219 H5 C 219 1.352 10.914 0.497 647 H6 C 219 H6 C 219 3.035 9.492 1.611 648 1H5* G 220 1H5* G 220 4.906 3.520 6.069 649 2H5* G 220 2H5* G 220 5.171 5.233 5.745 650 H4* G 220 H4* G 220 6.589 2.967 4.740 651 H3* G 220 H3* G 220 6.909 5.961 4.436 652 H2* G 220 H2* G 220 8.686 5.546 2.957 653 2HO* G 220 2HO* G 220 8.548 2.761 3.540 654 H1* G 220 H1* G 220 7.315 3.231 1.860 655 H8 G 220 H8 G 220 6.921 3.839 -0.550 656 H1 G 220 H1 G 220 6.635 10.171 0.757 657 1H2 G 220 1H2 G 220 6.757 10.460 2.796 658 2H2 G 220 2H2 G 220 6.915 9.177 3.975 659 1H5* G 221 1H5* G 221 10.264 4.903 5.107 660 2H5* G 221 2H5* G 221 11.420 5.691 6.180 661 H4* G 221 H4* G 221 11.901 5.761 3.684 662 H3* G 221 H3* G 221 11.986 8.149 5.494 663 H2* G 221 H2* G 221 12.673 9.534 3.683 664 2HO* G 221 2HO* G 221 12.527 7.211 2.016 665 H1* G 221 H1* G 221 10.641 8.707 1.997 666 H8 G 221 H8 G 221 10.051 8.976 5.770 667 H1 G 221 H1 G 221 8.037 14.040 2.281 668 1H2 G 221 1H2 G 221 8.571 13.773 0.307 669 2H2 G 221 2H2 G 221 9.436 12.383 -0.311 670 1H5* C 222 1H5* C 222 16.069 8.016 3.825 671 2H5* C 222 2H5* C 222 17.134 8.938 4.887 672 H4* C 222 H4* C 222 16.677 9.903 2.586 673 H3* C 222 H3* C 222 16.337 11.490 5.124 674 H2* C 222 H2* C 222 15.917 13.432 3.825 675 2HO* C 222 2HO* C 222 16.040 12.531 1.322 676 H1* C 222 H1* C 222 14.104 12.111 2.129 677 1H4 C 222 1H4 C 222 10.435 14.952 6.518 678 2H4 C 222 2H4 C 222 10.719 13.609 7.604 679 H5 C 222 H5 C 222 12.207 11.834 7.140 680 H6 C 222 H6 C 222 13.803 10.901 5.503 681 1H5* U 223 1H5* U 223 19.532 13.768 3.210 682 2H5* U 223 2H5* U 223 20.280 14.760 4.461 683 H4* U 223 H4* U 223 18.675 15.793 2.641 684 H3* U 223 H3* U 223 18.874 16.571 5.551 685 H2* U 223 H2* U 223 17.350 18.329 5.142 686 2HO* U 223 2HO* U 223 17.954 19.138 3.202 687 H1* U 223 H1* U 223 15.630 16.742 3.571 688 H3 U 223 H3 U 223 13.541 17.952 7.513 689 H5 U 223 H5 U 223 15.559 14.371 8.316 690 H6 U 223 H6 U 223 16.660 14.617 6.139 691 1H5* U 224 1H5* U 224 19.504 15.812 0.276 692 2H5* U 224 2H5* U 224 19.711 17.444 -0.358 693 H4* U 224 H4* U 224 17.508 15.818 -0.698 694 H3* U 224 H3* U 224 17.846 18.807 -1.035 695 H2* U 224 H2* U 224 15.616 18.899 -1.768 696 2HO* U 224 2HO* U 224 14.782 17.059 -2.734 697 H1* U 224 H1* U 224 14.829 16.853 0.131 698 H3 U 224 H3 U 224 11.980 20.245 1.113 699 H5 U 224 H5 U 224 15.700 21.625 2.453 700 H6 U 224 H6 U 224 16.701 19.650 1.400 701 1H5* A 225 1H5* A 225 18.981 17.812 -5.697 702 2H5* A 225 2H5* A 225 19.312 19.485 -6.147 703 H4* A 225 H4* A 225 17.160 18.347 -7.006 704 H3* A 225 H3* A 225 17.330 21.127 -5.866 705 H2* A 225 H2* A 225 15.034 21.463 -6.370 706 2HO* A 225 2HO* A 225 14.099 20.088 -7.881 707 H1* A 225 H1* A 225 14.230 19.026 -5.263 708 H8 A 225 H8 A 225 17.012 20.852 -3.446 709 1H6 A 225 1H6 A 225 12.502 23.393 0.038 710 2H6 A 225 2H6 A 225 14.234 23.244 -0.148 711 H2 A 225 H2 A 225 10.590 21.066 -3.228 712 1H5* G 226 1H5* G 226 15.846 20.643 -9.607 713 2H5* G 226 2H5* G 226 15.947 21.788 -10.944 714 H4* G 226 H4* G 226 13.648 21.254 -10.556 715 H3* G 226 H3* G 226 14.457 24.043 -9.775 716 H2* G 226 H2* G 226 12.180 24.555 -9.296 717 2HO* G 226 2HO* G 226 10.786 23.395 -10.488 718 H1* G 226 H1* G 226 11.829 22.260 -7.733 719 H8 G 226 H8 G 226 15.220 23.424 -6.954 720 H1 G 226 H1 G 226 10.674 27.041 -4.100 721 1H2 G 226 1H2 G 226 8.832 26.599 -4.913 722 2H2 G 226 2H2 G 226 8.559 25.423 -6.180 723 1H5* G 227 1H5* G 227 12.412 26.245 -12.655 724 2H5* G 227 2H5* G 227 13.058 25.348 -14.029 725 H4* G 227 H4* G 227 12.725 27.800 -14.408 726 H3* G 227 H3* G 227 15.382 26.472 -14.860 727 H2* G 227 H2* G 227 16.259 28.520 -15.706 728 2HO* G 227 2HO* G 227 14.414 30.299 -15.536 729 H1* G 227 H1* G 227 15.354 30.010 -13.530 730 H8 G 227 H8 G 227 16.383 26.780 -12.108 731 H1 G 227 H1 G 227 21.435 30.559 -13.548 732 1H2 G 227 1H2 G 227 20.802 32.144 -14.707 733 2H2 G 227 2H2 G 227 19.148 32.408 -15.212 734 1H5* A 228 1H5* A 228 14.601 28.217 -18.914 735 2H5* A 228 2H5* A 228 15.000 26.882 -19.994 736 H4* A 228 H4* A 228 16.258 28.878 -20.569 737 H3* A 228 H3* A 228 17.797 26.498 -19.575 738 H2* A 228 H2* A 228 19.844 27.642 -19.971 739 2HO* A 228 2HO* A 228 19.415 29.924 -20.919 740 H1* A 228 H1* A 228 18.987 29.969 -18.661 741 H8 A 228 H8 A 228 17.795 26.884 -16.904 742 1H6 A 228 1H6 A 228 23.217 26.951 -13.813 743 2H6 A 228 2H6 A 228 21.643 26.193 -13.898 744 H2 A 228 H2 A 228 23.420 29.996 -17.043 745 1H5* G 229 1H5* G 229 19.442 27.579 -23.487 746 2H5* G 229 2H5* G 229 19.730 26.105 -24.412 747 H4* G 229 H4* G 229 21.736 27.430 -24.360 748 H3* G 229 H3* G 229 21.820 24.849 -22.823 749 H2* G 229 H2* G 229 24.130 25.206 -22.357 750 2HO* G 229 2HO* G 229 25.177 26.906 -23.509 751 H1* G 229 H1* G 229 23.718 27.817 -21.458 752 H8 G 229 H8 G 229 20.800 25.901 -20.287 753 H1 G 229 H1 G 229 26.082 24.794 -16.715 754 1H2 G 229 1H2 G 229 27.736 25.569 -17.672 755 2H2 G 229 2H2 G 229 27.698 26.395 -19.213 756 1H5* G 230 1H5* G 230 25.295 24.853 -25.632 757 2H5* G 230 2H5* G 230 25.303 23.241 -26.349 758 H4* G 230 H4* G 230 27.495 23.784 -25.497 759 H3* G 230 H3* G 230 26.010 21.584 -24.091 760 H2* G 230 H2* G 230 27.915 21.167 -22.724 761 2HO* G 230 2HO* G 230 29.622 23.065 -23.464 762 H1* G 230 H1* G 230 28.216 23.851 -22.025 763 H8 G 230 H8 G 230 24.580 23.229 -22.198 764 H1 G 230 H1 G 230 27.244 20.967 -16.750 765 1H2 G 230 1H2 G 230 29.298 20.999 -16.922 766 2H2 G 230 2H2 G 230 30.170 21.556 -18.334 767 1H5* G 231 1H5* G 231 29.976 20.173 -25.015 768 2H5* G 231 2H5* G 231 29.825 18.612 -25.822 769 H4* G 231 H4* G 231 31.431 18.382 -24.083 770 H3* G 231 H3* G 231 28.807 17.031 -23.537 771 H2* G 231 H2* G 231 29.685 16.134 -21.511 772 2HO* G 231 2HO* G 231 31.925 16.200 -21.234 773 H1* G 231 H1* G 231 30.640 18.603 -20.630 774 H8 G 231 H8 G 231 27.429 19.206 -22.385 775 H1 G 231 H1 G 231 26.638 17.029 -16.342 776 1H2 G 231 1H2 G 231 28.449 16.372 -15.605 777 2H2 G 231 2H2 G 231 29.956 16.405 -16.491 778 1H5* C 232 1H5* C 232 31.776 14.079 -23.022 779 2H5* C 232 2H5* C 232 31.270 12.499 -23.621 780 H4* C 232 H4* C 232 31.832 12.378 -21.270 781 H3* C 232 H3* C 232 28.939 11.952 -21.984 782 H2* C 232 H2* C 232 28.484 11.384 -19.723 783 2HO* C 232 2HO* C 232 30.275 10.918 -18.381 784 H1* C 232 H1* C 232 29.926 13.595 -18.725 785 1H4 C 232 1H4 C 232 23.814 15.455 -18.680 786 2H4 C 232 2H4 C 232 23.949 15.882 -20.372 787 H5 C 232 H5 C 232 25.862 15.448 -21.689 788 H6 C 232 H6 C 232 28.137 14.488 -21.706 789 1H5* A 233 1H5* A 233 30.237 8.596 -19.773 790 2H5* A 233 2H5* A 233 29.814 7.088 -20.582 791 H4* A 233 H4* A 233 29.042 6.838 -18.389 792 H3* A 233 H3* A 233 26.808 7.507 -20.282 793 H2* A 233 H2* A 233 25.234 7.317 -18.511 794 2HO* A 233 2HO* A 233 27.171 6.793 -16.562 795 H1* A 233 H1* A 233 26.693 8.931 -16.770 796 H8 A 233 H8 A 233 26.877 10.024 -20.379 797 1H6 A 233 1H6 A 233 21.887 13.568 -19.155 798 2H6 A 233 2H6 A 233 23.101 13.197 -20.359 799 H2 A 233 H2 A 233 22.665 10.993 -15.618 800 1H5* G 234 1H5* G 234 25.740 3.860 -18.059 801 2H5* G 234 2H5* G 234 25.088 2.694 -19.210 802 H4* G 234 H4* G 234 23.582 2.885 -17.360 803 H3* G 234 H3* G 234 22.600 4.033 -19.953 804 H2* G 234 H2* G 234 20.495 4.524 -18.951 805 2HO* G 234 2HO* G 234 20.117 3.649 -16.838 806 H1* G 234 H1* G 234 21.646 5.805 -16.755 807 H8 G 234 H8 G 234 23.681 6.594 -19.763 808 H1 G 234 H1 G 234 18.341 10.215 -19.284 809 1H2 G 234 1H2 G 234 17.118 9.450 -17.810 810 2H2 G 234 2H2 G 234 17.487 8.036 -16.847 811 1H GLY 15 1H GLY 15 6.594 -2.747 -4.182 812 1HA GLY 15 1HA GLY 15 6.260 -1.740 -1.783 813 2HA GLY 15 2HA GLY 15 7.883 -2.173 -2.300 814 H ARG 16 H ARG 16 9.233 -0.653 -1.604 815 HA ARG 16 HA ARG 16 8.625 1.943 -0.895 816 1HB ARG 16 2HB ARG 16 11.067 0.422 -1.445 817 2HB ARG 16 3HB ARG 16 11.234 2.147 -1.745 818 1HG ARG 16 2HG ARG 16 10.973 2.698 0.453 819 2HG ARG 16 3HG ARG 16 9.983 1.279 0.805 820 1HD ARG 16 2HD ARG 16 12.013 -0.129 0.550 821 2HD ARG 16 3HD ARG 16 12.964 1.343 0.353 822 HE ARG 16 HE ARG 16 12.889 1.635 2.616 823 1HH1 ARG 16 2HH1 ARG 16 10.367 -0.577 1.687 824 2HH1 ARG 16 1HH1 ARG 16 9.918 -0.954 3.317 825 1HH2 ARG 16 2HH2 ARG 16 12.308 1.147 4.767 826 2HH2 ARG 16 1HH2 ARG 16 11.022 0.027 5.068 827 H ALA 17 H ALA 17 10.125 0.886 -3.954 828 HA ALA 17 HA ALA 17 10.114 1.787 -6.044 829 1HB ALA 17 1HB ALA 17 7.652 1.728 -5.683 830 2HB ALA 17 2HB ALA 17 7.741 3.396 -5.117 831 3HB ALA 17 3HB ALA 17 8.185 3.004 -6.778 832 H ARG 18 H ARG 18 11.273 3.216 -3.549 833 HA ARG 18 HA ARG 18 11.278 5.968 -3.920 834 1HB ARG 18 2HB ARG 18 12.298 4.560 -2.018 835 2HB ARG 18 3HB ARG 18 13.725 4.456 -3.040 836 1HG ARG 18 2HG ARG 18 12.506 7.098 -2.322 837 2HG ARG 18 3HG ARG 18 13.652 6.282 -1.256 838 1HD ARG 18 2HD ARG 18 14.769 6.199 -3.834 839 2HD ARG 18 3HD ARG 18 14.149 7.835 -3.618 840 HE ARG 18 HE ARG 18 15.535 7.211 -1.308 841 1HH1 ARG 18 2HH1 ARG 18 16.226 7.528 -4.706 842 2HH1 ARG 18 1HH1 ARG 18 17.868 8.023 -4.459 843 1HH2 ARG 18 2HH2 ARG 18 17.695 7.861 -0.971 844 2HH2 ARG 18 1HH2 ARG 18 18.702 8.211 -2.335 845 H GLY 19 H GLY 19 12.174 7.314 -5.359 846 1HA GLY 19 1HA GLY 19 13.894 8.032 -6.829 847 2HA GLY 19 2HA GLY 19 14.390 6.358 -7.025 848 H LEU 20 H LEU 20 11.462 5.643 -7.390 849 HA LEU 20 HA LEU 20 11.371 6.312 -10.245 850 1HB LEU 20 2HB LEU 20 10.570 3.991 -8.621 851 2HB LEU 20 3HB LEU 20 9.469 4.415 -9.930 852 HG LEU 20 HG LEU 20 12.259 4.299 -10.774 853 1HD1 LEU 20 1HD1 LEU 20 12.347 1.818 -10.720 854 2HD1 LEU 20 2HD1 LEU 20 10.946 1.831 -9.650 855 3HD1 LEU 20 3HD1 LEU 20 12.460 2.568 -9.128 856 1HD2 LEU 20 1HD2 LEU 20 11.096 2.679 -12.420 857 2HD2 LEU 20 2HD2 LEU 20 10.690 4.395 -12.479 858 3HD2 LEU 20 3HD2 LEU 20 9.602 3.258 -11.680 859 H CYS 21 H CYS 21 9.953 7.872 -10.935 860 HA CYS 21 HA CYS 21 8.073 8.942 -9.144 861 1HB CYS 21 2HB CYS 21 9.190 10.208 -10.991 862 2HB CYS 21 3HB CYS 21 8.224 9.319 -12.153 863 H TYR 22 H TYR 22 5.785 8.843 -9.334 864 HA TYR 22 HA TYR 22 4.769 6.410 -10.650 865 1HB TYR 22 2HB TYR 22 4.421 5.924 -8.427 866 2HB TYR 22 3HB TYR 22 4.222 7.613 -7.976 867 HD1 TYR 22 HD1 TYR 22 2.500 5.013 -10.042 868 HD2 TYR 22 HD2 TYR 22 2.106 8.321 -7.396 869 HE1 TYR 22 HE1 TYR 22 0.059 4.720 -10.050 870 HE2 TYR 22 HE2 TYR 22 -0.337 8.038 -7.396 871 HH TYR 22 HH TYR 22 -1.917 5.688 -7.957 872 H THR 23 H THR 23 4.422 9.816 -10.231 873 HA THR 23 HA THR 23 1.756 10.119 -11.116 874 HB THR 23 HB THR 23 4.059 12.071 -11.313 875 HG1 THR 23 HG1 THR 23 3.741 11.840 -9.188 876 1HG2 THR 23 1HG2 THR 23 2.606 13.206 -12.609 877 2HG2 THR 23 2HG2 THR 23 1.789 13.561 -11.087 878 3HG2 THR 23 3HG2 THR 23 1.232 12.227 -12.098 879 H CYS 24 H CYS 24 4.921 10.165 -12.884 880 HA CYS 24 HA CYS 24 3.335 10.141 -15.345 881 1HB CYS 24 2HB CYS 24 5.275 11.052 -16.492 882 2HB CYS 24 3HB CYS 24 4.833 12.086 -15.148 883 H GLY 25 H GLY 25 5.946 8.723 -13.462 884 1HA GLY 25 1HA GLY 25 6.314 6.356 -13.403 885 2HA GLY 25 2HA GLY 25 5.734 6.262 -15.059 886 H SER 26 H SER 26 8.066 8.607 -13.859 887 HA SER 26 HA SER 26 10.017 7.530 -15.763 888 1HB SER 26 2HB SER 26 9.277 10.003 -15.737 889 2HB SER 26 3HB SER 26 10.282 10.147 -14.295 890 HG SER 26 HG SER 26 11.020 9.698 -16.951 891 HA PRO 27 HA PRO 27 12.155 5.789 -12.255 892 1HB PRO 27 2HB PRO 27 14.178 4.695 -13.698 893 2HB PRO 27 3HB PRO 27 12.569 3.973 -13.600 894 1HG PRO 27 2HG PRO 27 13.754 5.677 -15.759 895 2HG PRO 27 3HG PRO 27 12.769 4.209 -15.906 896 1HD PRO 27 2HD PRO 27 11.740 6.692 -16.231 897 2HD PRO 27 3HD PRO 27 10.794 5.347 -15.560 898 H GLY 28 H GLY 28 12.786 7.801 -11.328 899 1HA GLY 28 1HA GLY 28 15.484 8.271 -11.088 900 2HA GLY 28 2HA GLY 28 14.957 9.330 -12.387 901 H HIS 29 H HIS 29 12.815 10.539 -11.769 902 HA HIS 29 HA HIS 29 13.377 11.866 -9.224 903 1HB HIS 29 2HB HIS 29 12.078 13.715 -10.062 904 2HB HIS 29 3HB HIS 29 13.204 13.215 -11.321 905 HD1 HIS 29 HD1 HIS 29 12.213 12.833 -13.559 906 HD2 HIS 29 HD2 HIS 29 9.365 12.632 -10.542 907 HE1 HIS 29 HE1 HIS 29 10.005 12.574 -14.736 908 H TYR 30 H TYR 30 11.068 12.941 -8.461 909 HA TYR 30 HA TYR 30 9.171 10.709 -8.184 910 1HB TYR 30 2HB TYR 30 10.827 11.719 -6.143 911 2HB TYR 30 3HB TYR 30 9.216 12.344 -5.808 912 HD1 TYR 30 HD1 TYR 30 10.892 9.138 -6.750 913 HD2 TYR 30 HD2 TYR 30 7.780 11.038 -4.557 914 HE1 TYR 30 HE1 TYR 30 10.259 6.968 -5.778 915 HE2 TYR 30 HE2 TYR 30 7.139 8.874 -3.579 916 HH TYR 30 HH TYR 30 8.707 6.486 -3.209 917 H GLN 31 H GLN 31 7.100 11.614 -7.014 918 HA GLN 31 HA GLN 31 5.791 13.306 -8.755 919 1HB GLN 31 2HB GLN 31 4.524 11.929 -7.268 920 2HB GLN 31 3HB GLN 31 5.237 12.695 -5.853 921 1HG GLN 31 2HG GLN 31 3.919 14.552 -6.017 922 2HG GLN 31 3HG GLN 31 3.710 14.386 -7.760 923 1HE2 GLN 31 1HE2 GLN 31 1.661 14.866 -5.841 924 2HE2 GLN 31 2HE2 GLN 31 0.572 13.526 -5.901 925 H ALA 32 H ALA 32 7.442 14.111 -5.729 926 HA ALA 32 HA ALA 32 6.721 16.808 -5.577 927 1HB ALA 32 1HB ALA 32 9.345 15.634 -4.674 928 2HB ALA 32 2HB ALA 32 8.540 17.074 -4.049 929 3HB ALA 32 3HB ALA 32 7.832 15.480 -3.780 930 H GLN 33 H GLN 33 8.938 15.183 -7.663 931 HA GLN 33 HA GLN 33 9.821 17.787 -8.719 932 1HB GLN 33 2HB GLN 33 11.394 15.209 -8.595 933 2HB GLN 33 3HB GLN 33 11.927 16.673 -9.411 934 1HG GLN 33 2HG GLN 33 12.997 17.016 -7.466 935 2HG GLN 33 3HG GLN 33 11.439 17.685 -6.987 936 1HE2 GLN 33 1HE2 GLN 33 12.778 17.022 -4.926 937 2HE2 GLN 33 2HE2 GLN 33 12.330 15.493 -4.260 938 H CYS 34 H CYS 34 7.468 15.986 -9.466 939 HA CYS 34 HA CYS 34 8.265 14.879 -11.979 940 1HB CYS 34 2HB CYS 34 6.473 13.892 -10.522 941 2HB CYS 34 3HB CYS 34 5.463 15.277 -10.883 942 HA PRO 35 HA PRO 35 7.876 18.803 -14.068 943 1HB PRO 35 2HB PRO 35 8.192 17.822 -16.579 944 2HB PRO 35 3HB PRO 35 9.538 18.027 -15.452 945 1HG PRO 35 2HG PRO 35 7.996 15.553 -16.132 946 2HG PRO 35 3HG PRO 35 9.745 15.759 -15.923 947 1HD PRO 35 2HD PRO 35 8.160 14.716 -13.990 948 2HD PRO 35 3HD PRO 35 9.607 15.677 -13.623 949 H LYS 36 H LYS 36 5.776 16.123 -14.300 950 HA LYS 36 HA LYS 36 3.930 17.526 -16.091 951 1HB LYS 36 2HB LYS 36 3.573 14.760 -14.946 952 2HB LYS 36 3HB LYS 36 2.781 15.461 -16.352 953 1HG LYS 36 2HG LYS 36 5.437 15.623 -17.015 954 2HG LYS 36 3HG LYS 36 5.345 14.100 -16.128 955 1HD LYS 36 2HD LYS 36 3.602 14.884 -18.467 956 2HD LYS 36 3HD LYS 36 4.978 13.780 -18.534 957 1HE LYS 36 2HE LYS 36 3.631 12.101 -17.991 958 2HE LYS 36 3HE LYS 36 3.296 12.888 -16.448 959 1HZ LYS 36 1HZ LYS 36 1.591 14.226 -17.760 960 2HZ LYS 36 2HZ LYS 36 1.219 12.611 -17.423 961 3HZ LYS 36 3HZ LYS 36 1.758 13.050 -18.965 962 H LYS 37 H LYS 37 4.588 17.502 -12.903 963 HA LYS 37 HA LYS 37 1.869 17.371 -11.905 964 1HB LYS 37 2HB LYS 37 4.576 17.523 -10.732 965 2HB LYS 37 3HB LYS 37 3.312 18.336 -9.819 966 1HG LYS 37 2HG LYS 37 3.160 15.470 -10.720 967 2HG LYS 37 3HG LYS 37 3.729 15.986 -9.130 968 1HD LYS 37 2HD LYS 37 1.080 16.958 -10.087 969 2HD LYS 37 3HD LYS 37 1.216 15.290 -9.526 970 1HE LYS 37 2HE LYS 37 0.801 16.203 -7.510 971 2HE LYS 37 3HE LYS 37 2.522 16.585 -7.547 972 1HZ LYS 37 1HZ LYS 37 2.122 18.776 -7.993 973 2HZ LYS 37 2HZ LYS 37 0.771 18.424 -7.039 974 3HZ LYS 37 3HZ LYS 37 0.623 18.488 -8.723 975 H ARG 38 H ARG 38 4.150 19.760 -12.947 976 HA ARG 38 HA ARG 38 2.167 21.807 -12.936 977 1HB ARG 38 2HB ARG 38 2.874 21.764 -10.527 978 2HB ARG 38 3HB ARG 38 4.492 22.212 -11.051 979 1HG ARG 38 2HG ARG 38 3.866 24.326 -10.835 980 2HG ARG 38 3HG ARG 38 2.840 24.088 -12.250 981 1HD ARG 38 2HD ARG 38 0.937 23.914 -11.013 982 2HD ARG 38 3HD ARG 38 1.772 23.204 -9.631 983 HE ARG 38 HE ARG 38 2.472 25.946 -10.058 984 1HH1 ARG 38 2HH1 ARG 38 0.100 23.815 -8.657 985 2HH1 ARG 38 1HH1 ARG 38 -0.438 24.973 -7.486 986 1HH2 ARG 38 2HH2 ARG 38 1.770 27.478 -8.519 987 2HH2 ARG 38 1HH2 ARG 38 0.512 27.056 -7.409 988 H LYS 39 H LYS 39 2.691 23.455 -14.311 989 HA LYS 39 HA LYS 39 5.397 23.382 -15.478 990 1HB LYS 39 2HB LYS 39 3.099 22.734 -16.794 991 2HB LYS 39 3HB LYS 39 3.220 24.451 -17.156 992 1HG LYS 39 2HG LYS 39 5.787 23.407 -17.559 993 2HG LYS 39 3HG LYS 39 4.668 22.245 -18.278 994 1HD LYS 39 2HD LYS 39 3.793 23.822 -19.757 995 2HD LYS 39 3HD LYS 39 4.386 25.184 -18.803 996 1HE LYS 39 2HE LYS 39 6.730 24.242 -19.363 997 2HE LYS 39 3HE LYS 39 5.895 23.360 -20.640 998 1HZ LYS 39 1HZ LYS 39 6.485 26.189 -20.429 999 2HZ LYS 39 2HZ LYS 39 4.940 25.821 -21.009 1000 3HZ LYS 39 3HZ LYS 39 6.306 25.219 -21.803 1001 H SER 40 H SER 40 5.423 25.578 -17.004 1002 HA SER 40 HA SER 40 4.302 27.919 -15.957 1003 1HB SER 40 2HB SER 40 5.541 27.626 -13.949 1004 2HB SER 40 3HB SER 40 7.000 27.170 -14.827 1005 HG SER 40 HG SER 40 7.419 29.226 -14.472 1006 H GLY 41 H GLY 41 5.300 29.888 -16.847 1007 1HA GLY 41 1HA GLY 41 6.772 29.259 -19.330 1008 2HA GLY 41 2HA GLY 41 5.620 30.576 -19.169 1009 H ASN 42 H ASN 42 6.745 32.396 -19.436 1010 HA ASN 42 HA ASN 42 9.122 32.787 -17.744 1011 1HB ASN 42 2HB ASN 42 9.936 34.303 -19.668 1012 2HB ASN 42 3HB ASN 42 10.082 32.560 -19.873 1013 1HD2 ASN 42 1HD2 ASN 42 8.386 35.431 -20.842 1014 2HD2 ASN 42 2HD2 ASN 42 7.628 34.756 -22.238 1015 H SER 43 H SER 43 9.182 34.639 -16.606 1016 HA SER 43 HA SER 43 6.841 36.322 -16.626 1017 1HB SER 43 2HB SER 43 7.744 37.323 -14.641 1018 2HB SER 43 3HB SER 43 8.037 35.588 -14.529 1019 HG SER 43 HG SER 43 10.134 35.910 -14.742 1020 H ARG 44 H ARG 44 7.680 38.805 -16.036 1021 HA ARG 44 HA ARG 44 9.088 39.634 -18.485 1022 1HB ARG 44 2HB ARG 44 6.722 40.680 -17.058 1023 2HB ARG 44 3HB ARG 44 7.841 41.896 -17.658 1024 1HG ARG 44 2HG ARG 44 7.653 40.415 -19.859 1025 2HG ARG 44 3HG ARG 44 6.087 40.032 -19.139 1026 1HD ARG 44 2HD ARG 44 5.638 42.459 -18.937 1027 2HD ARG 44 3HD ARG 44 7.160 42.779 -19.767 1028 HE ARG 44 HE ARG 44 5.712 41.085 -21.404 1029 1HH1 ARG 44 2HH1 ARG 44 5.361 44.280 -20.067 1030 2HH1 ARG 44 1HH1 ARG 44 4.415 44.872 -21.391 1031 1HH2 ARG 44 2HH2 ARG 44 4.467 41.854 -23.155 1032 2HH2 ARG 44 1HH2 ARG 44 3.907 43.491 -23.147 1033 H GLU 45 H GLU 45 8.683 40.356 -15.038 1034 HA GLU 45 HA GLU 45 11.255 41.792 -15.115 1035 1HB GLU 45 2HB GLU 45 10.429 42.826 -12.941 1036 2HB GLU 45 3HB GLU 45 9.619 43.340 -14.414 1037 1HG GLU 45 2HG GLU 45 7.818 41.700 -13.923 1038 2HG GLU 45 3HG GLU 45 8.605 41.369 -12.381 1039 H ARG 46 H ARG 46 12.383 39.776 -14.913 1040 HA ARG 46 HA ARG 46 12.121 38.480 -12.287 1041 1HB ARG 46 2HB ARG 46 12.048 37.227 -14.606 1042 2HB ARG 46 3HB ARG 46 13.798 37.347 -14.485 1043 1HG ARG 46 2HG ARG 46 13.889 35.987 -12.608 1044 2HG ARG 46 3HG ARG 46 12.186 36.241 -12.222 1045 1HD ARG 46 2HD ARG 46 12.034 35.121 -14.702 1046 2HD ARG 46 3HD ARG 46 13.446 34.308 -14.030 1047 HE ARG 46 HE ARG 46 11.198 34.344 -12.248 1048 1HH1 ARG 46 2HH1 ARG 46 12.699 32.680 -14.911 1049 2HH1 ARG 46 1HH1 ARG 46 11.940 31.163 -14.560 1050 1HH2 ARG 46 2HH2 ARG 46 10.193 32.352 -11.775 1051 2HH2 ARG 46 1HH2 ARG 46 10.514 30.977 -12.777 1052 H CYS 47 H CYS 47 14.388 37.503 -11.487 1053 HA CYS 47 HA CYS 47 16.358 39.636 -11.877 1054 1HB CYS 47 2HB CYS 47 15.282 39.836 -9.664 1055 2HB CYS 47 3HB CYS 47 15.737 38.187 -9.281 1056 H GLN 48 H GLN 48 18.092 38.805 -12.826 1057 HA GLN 48 HA GLN 48 18.596 35.929 -12.746 1058 1HB GLN 48 2HB GLN 48 18.768 37.826 -14.772 1059 2HB GLN 48 3HB GLN 48 20.444 37.500 -14.352 1060 1HG GLN 48 2HG GLN 48 19.092 35.017 -14.504 1061 2HG GLN 48 3HG GLN 48 18.674 35.955 -15.937 1062 1HE2 GLN 48 1HE2 GLN 48 19.948 35.555 -17.581 1063 2HE2 GLN 48 2HE2 GLN 48 21.633 35.179 -17.506 1064 H LEU 49 H LEU 49 19.142 37.664 -10.443 1065 HA LEU 49 HA LEU 49 22.031 37.148 -10.211 1066 1HB LEU 49 2HB LEU 49 20.684 39.627 -10.018 1067 2HB LEU 49 3HB LEU 49 21.217 39.194 -8.395 1068 HG LEU 49 HG LEU 49 23.236 38.953 -10.541 1069 1HD1 LEU 49 1HD1 LEU 49 21.710 41.363 -10.206 1070 2HD1 LEU 49 2HD1 LEU 49 23.015 41.010 -11.338 1071 3HD1 LEU 49 3HD1 LEU 49 23.387 41.625 -9.727 1072 1HD2 LEU 49 1HD2 LEU 49 23.142 39.872 -7.683 1073 2HD2 LEU 49 2HD2 LEU 49 24.566 40.106 -8.698 1074 3HD2 LEU 49 3HD2 LEU 49 23.977 38.477 -8.365 1075 H CYS 50 H CYS 50 18.831 37.268 -8.582 1076 HA CYS 50 HA CYS 50 20.006 35.509 -6.562 1077 1HB CYS 50 2HB CYS 50 18.913 36.584 -4.782 1078 2HB CYS 50 3HB CYS 50 19.598 37.892 -5.726 1079 H ASN 51 H ASN 51 18.338 35.471 -9.160 1080 HA ASN 51 HA ASN 51 16.639 34.263 -10.071 1081 1HB ASN 51 2HB ASN 51 16.573 32.735 -7.465 1082 2HB ASN 51 3HB ASN 51 16.088 32.166 -9.060 1083 1HD2 ASN 51 1HD2 ASN 51 17.527 31.105 -10.238 1084 2HD2 ASN 51 2HD2 ASN 51 19.220 31.007 -9.905 1085 H GLY 52 H GLY 52 16.118 36.594 -8.198 1086 1HA GLY 52 1HA GLY 52 13.672 36.124 -6.849 1087 2HA GLY 52 2HA GLY 52 14.315 37.696 -7.298 1088 H MET 53 H MET 53 11.577 37.017 -7.372 1089 HA MET 53 HA MET 53 11.081 37.183 -10.270 1090 1HB MET 53 2HB MET 53 10.363 35.002 -9.191 1091 2HB MET 53 3HB MET 53 9.180 35.936 -8.285 1092 1HG MET 53 2HG MET 53 8.109 36.633 -10.336 1093 2HG MET 53 3HG MET 53 9.335 35.799 -11.286 1094 1HE MET 53 1HE MET 53 6.651 35.098 -12.229 1095 2HE MET 53 2HE MET 53 5.666 33.945 -11.329 1096 3HE MET 53 3HE MET 53 5.858 35.596 -10.735 1097 H GLY 54 H GLY 54 10.772 39.337 -10.503 1098 1HA GLY 54 1HA GLY 54 8.542 40.691 -10.283 1099 2HA GLY 54 2HA GLY 54 9.035 40.733 -8.598 1100 H HIS 55 H HIS 55 11.646 41.229 -8.613 1101 HA HIS 55 HA HIS 55 11.765 43.922 -9.719 1102 1HB HIS 55 2HB HIS 55 13.760 44.179 -8.279 1103 2HB HIS 55 3HB HIS 55 12.344 43.661 -7.369 1104 HD1 HIS 55 HD1 HIS 55 12.286 41.007 -6.812 1105 HD2 HIS 55 HD2 HIS 55 15.949 42.596 -7.961 1106 HE1 HIS 55 HE1 HIS 55 14.007 39.326 -6.079 1107 H ASN 56 H ASN 56 14.358 44.425 -10.117 1108 HA ASN 56 HA ASN 56 15.147 42.530 -12.232 1109 1HB ASN 56 2HB ASN 56 14.449 45.205 -12.528 1110 2HB ASN 56 3HB ASN 56 16.210 45.222 -12.553 1111 1HD2 ASN 56 1HD2 ASN 56 13.362 44.484 -14.258 1112 2HD2 ASN 56 2HD2 ASN 56 14.102 43.864 -15.691 1113 H ALA 57 H ALA 57 17.385 42.204 -12.579 1114 HA ALA 57 HA ALA 57 18.938 41.931 -10.282 1115 1HB ALA 57 1HB ALA 57 20.848 41.856 -12.127 1116 2HB ALA 57 2HB ALA 57 19.689 40.542 -11.918 1117 3HB ALA 57 3HB ALA 57 19.449 41.734 -13.196 1118 H LYS 58 H LYS 58 18.802 44.531 -12.653 1119 HA LYS 58 HA LYS 58 21.080 45.949 -11.824 1120 1HB LYS 58 2HB LYS 58 19.604 46.276 -13.919 1121 2HB LYS 58 3HB LYS 58 18.602 47.283 -12.882 1122 1HG LYS 58 2HG LYS 58 20.031 48.990 -12.973 1123 2HG LYS 58 3HG LYS 58 21.434 47.948 -12.735 1124 1HD LYS 58 2HD LYS 58 20.106 47.716 -15.355 1125 2HD LYS 58 3HD LYS 58 20.895 49.262 -15.036 1126 1HE LYS 58 2HE LYS 58 22.394 46.782 -14.392 1127 2HE LYS 58 3HE LYS 58 22.189 47.195 -16.093 1128 1HZ LYS 58 1HZ LYS 58 24.093 48.322 -15.632 1129 2HZ LYS 58 2HZ LYS 58 23.699 48.589 -14.009 1130 3HZ LYS 58 3HZ LYS 58 22.980 49.527 -15.219 1131 H GLN 59 H GLN 59 17.967 45.596 -10.401 1132 HA GLN 59 HA GLN 59 18.597 47.734 -8.474 1133 1HB GLN 59 2HB GLN 59 16.432 47.761 -9.997 1134 2HB GLN 59 3HB GLN 59 15.824 46.669 -8.760 1135 1HG GLN 59 2HG GLN 59 16.344 48.367 -7.051 1136 2HG GLN 59 3HG GLN 59 16.852 49.465 -8.334 1137 1HE2 GLN 59 1HE2 GLN 59 15.153 50.780 -7.249 1138 2HE2 GLN 59 2HE2 GLN 59 13.529 50.607 -7.812 1139 H CYS 60 H CYS 60 19.209 44.631 -8.636 1140 HA CYS 60 HA CYS 60 17.790 43.768 -6.276 1141 1HB CYS 60 2HB CYS 60 18.111 42.197 -8.149 1142 2HB CYS 60 3HB CYS 60 19.850 42.327 -7.979 1143 H ARG 61 H ARG 61 18.772 43.488 -4.305 1144 HA ARG 61 HA ARG 61 20.165 43.967 -2.569 1145 1HB ARG 61 2HB ARG 61 22.188 43.195 -4.675 1146 2HB ARG 61 3HB ARG 61 22.597 43.461 -2.985 1147 1HG ARG 61 2HG ARG 61 20.884 41.681 -2.433 1148 2HG ARG 61 3HG ARG 61 20.864 41.310 -4.158 1149 1HD ARG 61 2HD ARG 61 23.565 41.435 -3.452 1150 2HD ARG 61 3HD ARG 61 22.779 40.557 -2.140 1151 HE ARG 61 HE ARG 61 23.194 39.644 -4.825 1152 1HH1 ARG 61 2HH1 ARG 61 21.180 39.350 -2.001 1153 2HH1 ARG 61 1HH1 ARG 61 20.645 37.748 -2.389 1154 1HH2 ARG 61 2HH2 ARG 61 22.498 37.536 -5.347 1155 2HH2 ARG 61 1HH2 ARG 61 21.396 36.717 -4.293 1156 H LYS 62 H LYS 62 19.263 46.245 -3.461 1157 HA LYS 62 HA LYS 62 21.382 48.092 -2.956 1158 1HB LYS 62 2HB LYS 62 20.870 47.429 -5.676 1159 2HB LYS 62 3HB LYS 62 20.283 49.066 -5.406 1160 1HG LYS 62 2HG LYS 62 22.955 48.444 -4.323 1161 2HG LYS 62 3HG LYS 62 22.808 48.491 -6.081 1162 1HD LYS 62 2HD LYS 62 21.827 50.691 -4.270 1163 2HD LYS 62 3HD LYS 62 23.437 50.671 -4.992 1164 1HE LYS 62 2HE LYS 62 21.203 50.225 -6.857 1165 2HE LYS 62 3HE LYS 62 21.268 51.828 -6.126 1166 1HZ LYS 62 1HZ LYS 62 23.620 51.942 -6.861 1167 2HZ LYS 62 2HZ LYS 62 22.513 51.871 -8.137 1168 3HZ LYS 62 3HZ LYS 62 23.397 50.495 -7.706 1169 H ARG 63 H ARG 63 18.134 47.796 -4.382 1170 HA ARG 63 HA ARG 63 16.185 48.895 -3.975 1171 1HB ARG 63 2HB ARG 63 17.579 48.975 -1.338 1172 2HB ARG 63 3HB ARG 63 16.132 49.952 -1.543 1173 1HG ARG 63 2HG ARG 63 15.122 47.712 -2.455 1174 2HG ARG 63 3HG ARG 63 16.437 46.993 -1.521 1175 1HD ARG 63 2HD ARG 63 15.647 48.296 0.453 1176 2HD ARG 63 3HD ARG 63 14.260 48.813 -0.504 1177 HE ARG 63 HE ARG 63 14.140 46.128 -0.692 1178 1HH1 ARG 63 2HH1 ARG 63 14.461 48.294 2.014 1179 2HH1 ARG 63 1HH1 ARG 63 13.637 47.244 3.119 1180 1HH2 ARG 63 2HH2 ARG 63 13.052 44.738 0.753 1181 2HH2 ARG 63 1HH2 ARG 63 12.837 45.221 2.401 1182 H ASP 64 H ASP 64 16.793 50.445 -5.611 1183 HA ASP 64 HA ASP 64 17.045 52.552 -6.431 1184 1HB ASP 64 2HB ASP 64 15.133 52.924 -4.844 1185 2HB ASP 64 3HB ASP 64 16.306 53.460 -3.644 Start of MODEL 18 1 1H5* C 160 1H5* C 160 29.224 30.432 -16.066 2 2H5* C 160 2H5* C 160 28.103 29.071 -16.050 3 H4* C 160 H4* C 160 30.155 28.054 -16.374 4 H3* C 160 H3* C 160 29.477 27.962 -13.440 5 H2* C 160 H2* C 160 31.413 26.635 -13.068 6 2HO* C 160 2HO* C 160 32.420 26.575 -15.596 7 H1* C 160 H1* C 160 33.049 28.336 -14.615 8 1H4 C 160 1H4 C 160 33.938 30.020 -8.495 9 2H4 C 160 2H4 C 160 32.671 31.210 -8.691 10 H5 C 160 H5 C 160 31.328 31.398 -10.624 11 H6 C 160 H6 C 160 30.868 30.482 -12.870 12 1H5* U 161 1H5* U 161 29.772 23.588 -14.478 13 2H5* U 161 2H5* U 161 28.499 22.841 -13.513 14 H4* U 161 H4* U 161 30.670 21.860 -13.025 15 H3* U 161 H3* U 161 29.295 23.374 -10.822 16 H2* U 161 H2* U 161 31.014 22.731 -9.309 17 2HO* U 161 2HO* U 161 32.720 21.299 -10.516 18 H1* U 161 H1* U 161 33.060 23.453 -11.110 19 H3 U 161 H3 U 161 33.194 26.344 -7.540 20 H5 U 161 H5 U 161 30.343 27.937 -10.162 21 H6 U 161 H6 U 161 30.505 25.855 -11.447 22 1H5* G 162 1H5* G 162 30.312 19.501 -9.380 23 2H5* G 162 2H5* G 162 28.882 18.701 -8.727 24 H4* G 162 H4* G 162 30.545 18.400 -7.109 25 H3* G 162 H3* G 162 28.630 20.583 -6.347 26 H2* G 162 H2* G 162 29.753 20.852 -4.263 27 2HO* G 162 2HO* G 162 31.281 19.240 -3.683 28 H1* G 162 H1* G 162 32.274 21.023 -5.449 29 H8 G 162 H8 G 162 29.836 22.731 -7.670 30 H1 G 162 H1 G 162 31.718 26.389 -2.673 31 1H2 G 162 1H2 G 162 32.759 25.227 -1.322 32 2H2 G 162 2H2 G 162 33.074 23.517 -1.516 33 1H5* C 163 1H5* C 163 29.057 18.063 -3.217 34 2H5* C 163 2H5* C 163 27.597 17.567 -2.362 35 H4* C 163 H4* C 163 29.052 18.501 -0.751 36 H3* C 163 H3* C 163 26.777 20.336 -1.473 37 H2* C 163 H2* C 163 27.479 21.840 0.231 38 2HO* C 163 2HO* C 163 29.614 20.795 1.293 39 H1* C 163 H1* C 163 30.172 21.739 -0.590 40 1H4 C 163 1H4 C 163 27.852 27.009 -3.349 41 2H4 C 163 2H4 C 163 27.163 26.026 -4.621 42 H5 C 163 H5 C 163 27.202 23.665 -4.627 43 H6 C 163 H6 C 163 27.919 21.645 -3.401 44 1H5* C 164 1H5* C 164 26.928 19.928 2.566 45 2H5* C 164 2H5* C 164 25.425 19.412 3.332 46 H4* C 164 H4* C 164 26.069 21.245 4.593 47 H3* C 164 H3* C 164 24.027 22.082 2.552 48 H2* C 164 H2* C 164 24.039 24.287 3.446 49 2HO* C 164 2HO* C 164 26.039 23.585 5.321 50 H1* C 164 H1* C 164 26.828 24.471 3.414 51 1H4 C 164 1H4 C 164 25.085 27.053 -2.152 52 2H4 C 164 2H4 C 164 24.853 25.452 -2.821 53 H5 C 164 H5 C 164 25.051 23.461 -1.566 54 H6 C 164 H6 C 164 25.526 22.505 0.660 55 1H5* C 165 1H5* C 165 21.928 23.034 6.423 56 2H5* C 165 2H5* C 165 20.208 23.065 6.036 57 H4* C 165 H4* C 165 21.196 25.254 6.756 58 H3* C 165 H3* C 165 19.723 24.970 4.146 59 H2* C 165 H2* C 165 19.881 27.323 3.827 60 2HO* C 165 2HO* C 165 21.334 28.045 5.981 61 H1* C 165 H1* C 165 22.625 27.376 4.426 62 1H4 C 165 1H4 C 165 22.236 27.045 -1.955 63 2H4 C 165 2H4 C 165 22.252 25.301 -1.829 64 H5 C 165 H5 C 165 22.161 24.129 0.220 65 H6 C 165 H6 C 165 22.032 24.345 2.676 66 1H5* U 166 1H5* U 166 16.053 26.480 6.644 67 2H5* U 166 2H5* U 166 14.723 25.916 5.633 68 H4* U 166 H4* U 166 15.256 28.405 5.599 69 H3* U 166 H3* U 166 14.920 26.736 3.117 70 H2* U 166 H2* U 166 15.116 28.696 1.790 71 2HO* U 166 2HO* U 166 14.680 30.630 2.788 72 H1* U 166 H1* U 166 17.385 29.615 3.151 73 H3 U 166 H3 U 166 18.453 28.210 -1.133 74 H5 U 166 H5 U 166 18.974 24.890 1.366 75 H6 U 166 H6 U 166 17.873 26.176 3.140 76 1H5* C 167 1H5* C 167 10.471 28.366 3.368 77 2H5* C 167 2H5* C 167 9.610 27.061 2.552 78 H4* C 167 H4* C 167 9.681 29.233 1.313 79 H3* C 167 H3* C 167 10.680 26.685 0.064 80 H2* C 167 H2* C 167 10.997 27.835 -1.993 81 2HO* C 167 2HO* C 167 9.100 29.099 -1.753 82 H1* C 167 H1* C 167 12.347 29.973 -0.784 83 1H4 C 167 1H4 C 167 16.854 25.904 -2.843 84 2H4 C 167 2H4 C 167 16.863 25.189 -1.246 85 H5 C 167 H5 C 167 15.333 25.758 0.459 86 H6 C 167 H6 C 167 13.396 27.169 1.059 87 1H5* A 168 1H5* A 168 9.097 25.293 -3.411 88 2H5* A 168 2H5* A 168 8.562 26.609 -4.457 89 H4* A 168 H4* A 168 7.121 24.198 -3.536 90 H3* A 168 H3* A 168 7.463 25.712 -6.051 91 H2* A 168 H2* A 168 5.236 25.467 -6.758 92 2HO* A 168 2HO* A 168 3.932 23.892 -5.508 93 H1* A 168 H1* A 168 3.998 26.185 -4.457 94 H8 A 168 H8 A 168 6.380 27.199 -7.017 95 1H6 A 168 1H6 A 168 5.546 33.127 -5.254 96 2H6 A 168 2H6 A 168 6.222 32.100 -6.499 97 H2 A 168 H2 A 168 3.731 30.492 -2.171 98 1H5* U 169 1H5* U 169 6.405 24.954 -9.926 99 2H5* U 169 2H5* U 169 7.781 23.854 -10.000 100 H4* U 169 H4* U 169 8.057 26.818 -9.481 101 H3* U 169 H3* U 169 7.973 25.346 -12.113 102 H2* U 169 H2* U 169 9.522 26.909 -12.987 103 2HO* U 169 2HO* U 169 9.517 28.901 -12.053 104 H1* U 169 H1* U 169 11.119 26.817 -10.627 105 H3 U 169 H3 U 169 13.598 25.321 -14.218 106 H5 U 169 H5 U 169 11.504 21.983 -12.798 107 H6 U 169 H6 U 169 10.229 23.515 -11.370 108 1H5* C 170 1H5* C 170 3.967 26.511 -12.679 109 2H5* C 170 2H5* C 170 3.236 27.778 -13.664 110 H4* C 170 H4* C 170 2.174 27.558 -11.461 111 H3* C 170 H3* C 170 3.515 30.152 -12.177 112 H2* C 170 H2* C 170 2.723 31.114 -10.153 113 2HO* C 170 2HO* C 170 1.401 29.305 -8.887 114 H1* C 170 H1* C 170 3.578 28.968 -8.581 115 1H4 C 170 1H4 C 170 8.287 33.327 -8.495 116 2H4 C 170 2H4 C 170 9.075 32.409 -9.758 117 H5 C 170 H5 C 170 8.090 30.564 -10.854 118 H6 C 170 H6 C 170 6.086 29.130 -11.010 119 1H5* C 171 1H5* C 171 0.608 31.877 -9.948 120 2H5* C 171 2H5* C 171 -0.456 32.488 -11.216 121 H4* C 171 H4* C 171 -0.132 34.339 -9.869 122 H3* C 171 H3* C 171 1.783 34.453 -12.186 123 H2* C 171 H2* C 171 2.565 36.561 -11.436 124 2HO* C 171 2HO* C 171 1.209 37.728 -10.115 125 H1* C 171 H1* C 171 2.737 35.683 -8.739 126 1H4 C 171 1H4 C 171 8.757 35.394 -10.819 127 2H4 C 171 2H4 C 171 8.373 33.959 -11.742 128 H5 C 171 H5 C 171 6.199 33.055 -11.928 129 H6 C 171 H6 C 171 3.833 33.310 -11.266 130 1H5* G 172 1H5* G 172 -0.827 38.380 -12.974 131 2H5* G 172 2H5* G 172 -0.813 38.271 -14.734 132 H4* G 172 H4* G 172 0.009 40.431 -13.972 133 H3* G 172 H3* G 172 1.937 38.629 -15.411 134 H2* G 172 H2* G 172 3.573 40.360 -15.373 135 2HO* G 172 2HO* G 172 2.364 42.278 -13.966 136 H1* G 172 H1* G 172 3.254 40.834 -12.639 137 H8 G 172 H8 G 172 2.958 37.195 -13.581 138 H1 G 172 H1 G 172 9.017 39.157 -12.433 139 1H2 G 172 1H2 G 172 9.049 41.207 -12.220 140 2H2 G 172 2H2 G 172 7.642 42.242 -12.335 141 1H5* U 173 1H5* U 173 1.767 42.358 -16.978 142 2H5* U 173 2H5* U 173 1.556 42.551 -18.718 143 H4* U 173 H4* U 173 3.342 43.956 -18.142 144 H3* U 173 H3* U 173 4.252 41.423 -19.460 145 H2* U 173 H2* U 173 6.517 42.130 -19.342 146 2HO* U 173 2HO* U 173 6.241 44.477 -18.023 147 H1* U 173 H1* U 173 6.309 42.875 -16.635 148 H3 U 173 H3 U 173 9.062 39.230 -16.750 149 H5 U 173 H5 U 173 5.186 37.651 -16.923 150 H6 U 173 H6 U 173 4.370 39.947 -17.197 151 1H5* C 174 1H5* C 174 6.154 44.505 -21.688 152 2H5* C 174 2H5* C 174 5.819 44.289 -23.406 153 H4* C 174 H4* C 174 8.149 44.462 -23.249 154 H3* C 174 H3* C 174 7.232 41.639 -23.635 155 H2* C 174 H2* C 174 9.478 40.857 -23.631 156 2HO* C 174 2HO* C 174 10.497 43.440 -23.137 157 H1* C 174 H1* C 174 10.123 42.319 -21.302 158 1H4 C 174 1H4 C 174 8.887 36.400 -19.239 159 2H4 C 174 2H4 C 174 7.178 36.770 -19.251 160 H5 C 174 H5 C 174 6.275 38.791 -20.073 161 H6 C 174 H6 C 174 6.796 40.977 -21.097 162 1H5* U 175 1H5* U 175 8.395 44.353 -28.423 163 2H5* U 175 2H5* U 175 6.848 44.141 -27.603 164 H4* U 175 H4* U 175 5.993 42.771 -29.313 165 H3* U 175 H3* U 175 8.843 42.416 -30.246 166 H2* U 175 H2* U 175 8.036 41.976 -32.413 167 2HO* U 175 2HO* U 175 5.619 41.664 -32.523 168 H1* U 175 H1* U 175 5.994 44.012 -32.134 169 H3 U 175 H3 U 175 8.120 45.411 -35.875 170 H5 U 175 H5 U 175 10.958 45.988 -32.849 171 H6 U 175 H6 U 175 9.415 44.848 -31.322 172 1H5* C 176 1H5* C 176 9.595 40.154 -27.400 173 2H5* C 176 2H5* C 176 10.461 41.670 -27.646 174 H4* C 176 H4* C 176 12.449 40.421 -28.373 175 H3* C 176 H3* C 176 10.661 38.040 -28.117 176 H2* C 176 H2* C 176 12.425 36.719 -27.231 177 2HO* C 176 2HO* C 176 14.556 38.018 -27.111 178 H1* C 176 H1* C 176 13.176 38.592 -25.326 179 1H4 C 176 1H4 C 176 8.856 34.833 -22.455 180 2H4 C 176 2H4 C 176 7.616 35.978 -22.919 181 H5 C 176 H5 C 176 8.003 37.838 -24.323 182 H6 C 176 H6 C 176 9.689 39.068 -25.640 183 1H5* G 177 1H5* G 177 14.157 36.696 -29.801 184 2H5* G 177 2H5* G 177 13.910 36.039 -31.418 185 H4* G 177 H4* G 177 15.246 34.459 -30.343 186 H3* G 177 H3* G 177 12.385 33.617 -30.474 187 H2* G 177 H2* G 177 12.847 31.600 -29.294 188 2HO* G 177 2HO* G 177 15.033 31.022 -29.035 189 H1* G 177 H1* G 177 14.188 32.913 -27.230 190 H8 G 177 H8 G 177 11.424 35.156 -28.149 191 H1 G 177 H1 G 177 9.428 30.095 -24.641 192 1H2 G 177 1H2 G 177 10.939 28.696 -24.530 193 2H2 G 177 2H2 G 177 12.512 28.867 -25.277 194 1H5* C 178 1H5* C 178 14.396 30.038 -32.113 195 2H5* C 178 2H5* C 178 13.399 29.536 -33.478 196 H4* C 178 H4* C 178 13.651 27.782 -31.767 197 H3* C 178 H3* C 178 10.904 28.831 -32.405 198 H2* C 178 H2* C 178 9.954 27.195 -30.974 199 2HO* C 178 2HO* C 178 12.542 26.194 -30.362 200 H1* C 178 H1* C 178 11.813 27.712 -28.907 201 1H4 C 178 1H4 C 178 6.577 30.974 -27.249 202 2H4 C 178 2H4 C 178 7.061 32.267 -28.324 203 H5 C 178 H5 C 178 8.923 32.147 -29.773 204 H6 C 178 H6 C 178 10.798 30.744 -30.554 205 1H5* U 179 1H5* U 179 10.599 24.479 -33.676 206 2H5* U 179 2H5* U 179 9.338 24.472 -34.909 207 H4* U 179 H4* U 179 8.858 23.116 -32.852 208 H3* U 179 H3* U 179 6.969 25.251 -33.818 209 H2* U 179 H2* U 179 5.410 24.609 -32.147 210 2HO* U 179 2HO* U 179 6.634 22.664 -30.833 211 H1* U 179 H1* U 179 7.350 24.560 -30.115 212 H3 U 179 H3 U 179 4.418 28.068 -29.445 213 H5 U 179 H5 U 179 7.500 29.572 -31.849 214 H6 U 179 H6 U 179 8.290 27.266 -32.109 215 1H5* U 180 1H5* U 180 5.008 21.885 -33.326 216 2H5* U 180 2H5* U 180 3.856 21.309 -34.531 217 H4* U 180 H4* U 180 2.720 21.459 -32.448 218 H3* U 180 H3* U 180 1.950 23.549 -34.454 219 H2* U 180 H2* U 180 0.346 24.451 -32.960 220 2HO* U 180 2HO* U 180 0.409 23.056 -30.795 221 H1* U 180 H1* U 180 2.159 24.383 -30.773 222 H3 U 180 H3 U 180 1.353 28.813 -31.403 223 H5 U 180 H5 U 180 3.948 27.783 -34.525 224 H6 U 180 H6 U 180 3.686 25.444 -33.838 225 1H5* A 181 1H5* A 181 -1.581 20.369 -35.702 226 2H5* A 181 2H5* A 181 -1.843 21.094 -37.289 227 H4* A 181 H4* A 181 -3.725 21.301 -35.603 228 H3* A 181 H3* A 181 -2.602 23.641 -37.122 229 H2* A 181 H2* A 181 -4.263 25.050 -36.172 230 2HO* A 181 2HO* A 181 -6.087 24.060 -35.373 231 H1* A 181 H1* A 181 -3.823 24.138 -33.567 232 H8 A 181 H8 A 181 -0.611 24.368 -35.484 233 1H6 A 181 1H6 A 181 -0.315 30.316 -33.618 234 2H6 A 181 2H6 A 181 0.571 29.035 -34.414 235 H2 A 181 H2 A 181 -4.303 28.706 -32.501 236 1H5* U 182 1H5* U 182 -8.169 23.011 -39.136 237 2H5* U 182 2H5* U 182 -7.239 23.978 -37.993 238 H4* U 182 H4* U 182 -6.397 21.484 -37.325 239 H3* U 182 H3* U 182 -9.143 21.146 -38.502 240 H2* U 182 H2* U 182 -9.712 19.636 -36.773 241 2HO* U 182 2HO* U 182 -7.994 18.449 -36.189 242 H1* U 182 H1* U 182 -8.481 21.304 -34.790 243 H3 U 182 H3 U 182 -12.786 21.195 -33.392 244 H5 U 182 H5 U 182 -12.925 23.522 -36.871 245 H6 U 182 H6 U 182 -10.569 22.947 -37.231 246 1H5* U 183 1H5* U 183 -8.004 20.969 -40.862 247 2H5* U 183 2H5* U 183 -8.311 20.290 -42.461 248 H4* U 183 H4* U 183 -5.662 20.627 -41.057 249 H3* U 183 H3* U 183 -6.976 21.938 -43.391 250 H2* U 183 H2* U 183 -4.941 22.033 -44.610 251 2HO* U 183 2HO* U 183 -3.444 20.687 -42.676 252 H1* U 183 H1* U 183 -4.314 19.357 -44.206 253 H3 U 183 H3 U 183 -5.712 20.042 -48.557 254 H5 U 183 H5 U 183 -9.147 19.054 -46.374 255 H6 U 183 H6 U 183 -7.799 19.287 -44.339 256 1H5* C 184 1H5* C 184 -3.891 25.452 -42.076 257 2H5* C 184 2H5* C 184 -3.994 25.782 -40.346 258 H4* C 184 H4* C 184 -3.791 27.757 -41.988 259 H3* C 184 H3* C 184 -5.324 27.553 -39.512 260 H2* C 184 H2* C 184 -7.182 28.559 -40.424 261 2HO* C 184 2HO* C 184 -5.279 30.684 -40.780 262 H1* C 184 H1* C 184 -5.347 29.568 -42.666 263 1H4 C 184 1H4 C 184 -11.694 29.360 -44.781 264 2H4 C 184 2H4 C 184 -10.969 30.762 -45.534 265 H5 C 184 H5 C 184 -8.735 31.441 -45.177 266 H6 C 184 H6 C 184 -6.626 30.936 -43.996 267 1H5* G 185 1H5* G 185 -2.395 31.201 -36.581 268 2H5* G 185 2H5* G 185 -3.622 31.960 -37.595 269 H4* G 185 H4* G 185 -0.671 32.374 -37.529 270 H3* G 185 H3* G 185 -3.113 34.086 -37.492 271 H2* G 185 H2* G 185 -1.996 35.851 -38.641 272 2HO* G 185 2HO* G 185 0.349 35.309 -39.147 273 H1* G 185 H1* G 185 -1.077 34.175 -40.674 274 H8 G 185 H8 G 185 -4.251 35.083 -38.806 275 H1 G 185 H1 G 185 -4.939 34.585 -45.221 276 1H2 G 185 1H2 G 185 -3.196 33.853 -46.046 277 2H2 G 185 2H2 G 185 -1.763 33.436 -45.135 278 1H5* G 186 1H5* G 186 -1.315 37.645 -33.580 279 2H5* G 186 2H5* G 186 -0.477 38.090 -35.067 280 H4* G 186 H4* G 186 0.851 36.740 -32.707 281 H3* G 186 H3* G 186 0.446 39.654 -33.290 282 H2* G 186 H2* G 186 2.631 40.143 -32.477 283 2HO* G 186 2HO* G 186 3.754 37.946 -31.806 284 H1* G 186 H1* G 186 3.843 38.177 -34.038 285 H8 G 186 H8 G 186 3.728 41.347 -33.810 286 H1 G 186 H1 G 186 1.777 40.330 -39.896 287 1H2 G 186 1H2 G 186 1.152 38.376 -40.101 288 2H2 G 186 2H2 G 186 1.155 37.190 -38.816 289 1H5* G 187 1H5* G 187 -2.121 40.121 -28.314 290 2H5* G 187 2H5* G 187 -1.097 38.724 -28.648 291 H4* G 187 H4* G 187 -4.004 39.046 -28.893 292 H3* G 187 H3* G 187 -2.081 36.802 -28.349 293 H2* G 187 H2* G 187 -3.774 35.219 -28.903 294 2HO* G 187 2HO* G 187 -5.903 35.972 -29.013 295 H1* G 187 H1* G 187 -4.409 36.480 -31.308 296 H8 G 187 H8 G 187 -0.765 36.842 -30.982 297 H1 G 187 H1 G 187 -2.496 30.873 -32.786 298 1H2 G 187 1H2 G 187 -4.530 30.641 -32.539 299 2H2 G 187 2H2 G 187 -5.607 31.881 -31.935 300 1H5* G 188 1H5* G 188 -5.698 35.216 -26.901 301 2H5* G 188 2H5* G 188 -5.434 35.159 -25.158 302 H4* G 188 H4* G 188 -6.279 33.059 -25.626 303 H3* G 188 H3* G 188 -3.276 32.922 -25.523 304 H2* G 188 H2* G 188 -3.386 30.562 -25.834 305 2HO* G 188 2HO* G 188 -6.124 30.402 -26.155 306 H1* G 188 H1* G 188 -5.119 30.770 -28.020 307 H8 G 188 H8 G 188 -2.769 33.577 -28.362 308 H1 G 188 H1 G 188 -0.130 27.927 -30.094 309 1H2 G 188 1H2 G 188 -1.352 26.381 -29.484 310 2H2 G 188 2H2 G 188 -2.864 26.585 -28.631 311 1H5* A 189 1H5* A 189 -4.514 29.741 -23.457 312 2H5* A 189 2H5* A 189 -3.680 29.530 -21.917 313 H4* A 189 H4* A 189 -3.405 27.551 -23.246 314 H3* A 189 H3* A 189 -0.907 29.204 -22.904 315 H2* A 189 H2* A 189 0.336 27.466 -23.947 316 2HO* A 189 2HO* A 189 -1.740 25.769 -24.511 317 H1* A 189 H1* A 189 -1.555 27.204 -26.038 318 H8 A 189 H8 A 189 -0.941 30.796 -25.306 319 1H6 A 189 1H6 A 189 3.976 30.450 -29.134 320 2H6 A 189 2H6 A 189 2.955 31.549 -28.233 321 H2 A 189 H2 A 189 2.487 26.328 -28.410 322 1H5* G 190 1H5* G 190 -0.060 25.080 -20.816 323 2H5* G 190 2H5* G 190 1.036 25.572 -19.524 324 H4* G 190 H4* G 190 1.928 23.752 -20.936 325 H3* G 190 H3* G 190 3.414 26.353 -20.717 326 H2* G 190 H2* G 190 5.193 25.448 -22.019 327 2HO* G 190 2HO* G 190 3.710 23.027 -22.277 328 H1* G 190 H1* G 190 3.485 24.527 -24.025 329 H8 G 190 H8 G 190 2.043 27.728 -22.936 330 H1 G 190 H1 G 190 7.242 28.524 -26.706 331 1H2 G 190 1H2 G 190 8.219 26.721 -26.921 332 2H2 G 190 2H2 G 190 7.706 25.217 -26.190 333 1H5* C 191 1H5* C 191 6.539 23.516 -18.949 334 2H5* C 191 2H5* C 191 7.413 24.587 -17.854 335 H4* C 191 H4* C 191 8.734 23.585 -19.764 336 H3* C 191 H3* C 191 8.683 26.542 -19.197 337 H2* C 191 H2* C 191 10.326 26.873 -20.879 338 2HO* C 191 2HO* C 191 10.755 24.448 -21.849 339 H1* C 191 H1* C 191 8.983 25.268 -22.751 340 1H4 C 191 1H4 C 191 7.226 31.300 -23.998 341 2H4 C 191 2H4 C 191 5.867 31.083 -22.918 342 H5 C 191 H5 C 191 5.542 29.162 -21.582 343 H6 C 191 H6 C 191 6.450 26.955 -20.949 344 1H5* G 192 1H5* G 192 13.164 25.404 -18.723 345 2H5* G 192 2H5* G 192 13.628 26.474 -17.401 346 H4* G 192 H4* G 192 15.013 26.672 -19.476 347 H3* G 192 H3* G 192 13.640 29.050 -18.258 348 H2* G 192 H2* G 192 14.687 30.471 -19.859 349 2HO* G 192 2HO* G 192 16.578 29.707 -20.618 350 H1* G 192 H1* G 192 13.929 28.882 -22.022 351 H8 G 192 H8 G 192 11.084 28.741 -19.698 352 H1 G 192 H1 G 192 11.346 34.340 -22.933 353 1H2 G 192 1H2 G 192 13.170 34.503 -23.881 354 2H2 G 192 2H2 G 192 14.440 33.302 -23.811 355 1H5* G 193 1H5* G 193 18.077 30.377 -18.448 356 2H5* G 193 2H5* G 193 18.179 31.262 -16.927 357 H4* G 193 H4* G 193 18.830 32.558 -18.966 358 H3* G 193 H3* G 193 16.706 33.535 -17.080 359 H2* G 193 H2* G 193 16.540 35.564 -18.319 360 2HO* G 193 2HO* G 193 18.386 34.727 -20.260 361 H1* G 193 H1* G 193 16.289 34.251 -20.767 362 H8 G 193 H8 G 193 14.448 32.155 -18.372 363 H1 G 193 H1 G 193 11.154 37.472 -20.035 364 1H2 G 193 1H2 G 193 12.405 38.775 -21.030 365 2H2 G 193 2H2 G 193 14.095 38.471 -21.364 366 1H5* A 194 1H5* A 194 19.847 37.477 -16.516 367 2H5* A 194 2H5* A 194 19.538 37.245 -14.796 368 H4* A 194 H4* A 194 19.064 39.544 -15.731 369 H3* A 194 H3* A 194 17.053 37.985 -14.128 370 H2* A 194 H2* A 194 15.574 39.843 -14.183 371 2HO* A 194 2HO* A 194 17.168 41.468 -15.760 372 H1* A 194 H1* A 194 15.851 40.225 -16.937 373 H8 A 194 H8 A 194 15.858 36.578 -16.116 374 1H6 A 194 1H6 A 194 9.630 36.817 -16.453 375 2H6 A 194 2H6 A 194 11.002 35.740 -16.319 376 H2 A 194 H2 A 194 11.192 40.973 -16.617 377 1H5* C 195 1H5* C 195 17.798 41.638 -11.480 378 2H5* C 195 2H5* C 195 17.496 41.040 -9.849 379 H4* C 195 H4* C 195 16.024 42.931 -10.658 380 H3* C 195 H3* C 195 14.901 40.380 -9.514 381 H2* C 195 H2* C 195 12.729 41.332 -9.592 382 2HO* C 195 2HO* C 195 12.757 43.483 -9.301 383 H1* C 195 H1* C 195 13.063 42.287 -12.219 384 1H4 C 195 1H4 C 195 9.949 36.708 -12.710 385 2H4 C 195 2H4 C 195 11.497 35.913 -12.883 386 H5 C 195 H5 C 195 13.575 37.007 -12.631 387 H6 C 195 H6 C 195 14.690 39.156 -12.146 388 1H5* G 196 1H5* G 196 14.757 42.876 -5.524 389 2H5* G 196 2H5* G 196 15.232 41.637 -4.361 390 H4* G 196 H4* G 196 12.956 42.404 -3.965 391 H3* G 196 H3* G 196 13.340 39.540 -4.797 392 H2* G 196 H2* G 196 11.017 39.142 -4.455 393 2HO* G 196 2HO* G 196 10.691 41.885 -3.753 394 H1* G 196 H1* G 196 10.249 41.379 -5.952 395 H8 G 196 H8 G 196 13.231 39.721 -7.484 396 H1 G 196 H1 G 196 7.606 36.983 -9.138 397 1H2 G 196 1H2 G 196 6.092 37.762 -7.975 398 2H2 G 196 2H2 G 196 6.314 38.977 -6.736 399 1H5* A 197 1H5* A 197 14.331 37.636 0.391 400 2H5* A 197 2H5* A 197 12.831 36.968 -0.251 401 H4* A 197 H4* A 197 13.340 38.406 2.240 402 H3* A 197 H3* A 197 11.272 36.466 1.223 403 H2* A 197 H2* A 197 9.900 36.998 3.088 404 2HO* A 197 2HO* A 197 11.101 38.708 4.543 405 H1* A 197 H1* A 197 10.266 39.773 2.757 406 H8 A 197 H8 A 197 9.073 36.632 1.030 407 1H6 A 197 1H6 A 197 4.399 40.109 -1.209 408 2H6 A 197 2H6 A 197 5.017 38.478 -1.082 409 H2 A 197 H2 A 197 7.267 42.801 0.858 410 1H5* U 198 1H5* U 198 13.991 34.712 4.820 411 2H5* U 198 2H5* U 198 15.349 33.718 4.292 412 H4* U 198 H4* U 198 12.811 32.271 4.242 413 H3* U 198 H3* U 198 13.656 33.576 6.826 414 H2* U 198 H2* U 198 13.066 31.645 7.992 415 2HO* U 198 2HO* U 198 11.811 30.144 6.180 416 H1* U 198 H1* U 198 13.830 29.999 5.670 417 H3 U 198 H3 U 198 18.359 29.853 7.543 418 H5 U 198 H5 U 198 15.377 29.170 10.403 419 H6 U 198 H6 U 198 13.750 29.976 8.754 420 1H5* G 199 1H5* G 199 13.951 36.053 6.926 421 2H5* G 199 2H5* G 199 14.312 35.442 8.541 422 H4* G 199 H4* G 199 14.140 37.905 8.428 423 H3* G 199 H3* G 199 12.254 36.380 10.218 424 H2* G 199 H2* G 199 11.492 38.449 11.108 425 2HO* G 199 2HO* G 199 12.727 40.373 10.088 426 H1* G 199 H1* G 199 11.223 39.595 8.534 427 H8 G 199 H8 G 199 10.056 36.021 9.063 428 H1 G 199 H1 G 199 5.484 40.519 9.928 429 1H2 G 199 1H2 G 199 6.338 42.394 9.838 430 2H2 G 199 2H2 G 199 8.038 42.702 9.567 431 1H5* A 200 1H5* A 200 14.026 35.429 14.469 432 2H5* A 200 2H5* A 200 15.777 35.224 14.518 433 H4* A 200 H4* A 200 14.982 33.056 14.297 434 H3* A 200 H3* A 200 15.859 34.133 11.643 435 H2* A 200 H2* A 200 14.967 32.353 10.510 436 2HO* A 200 2HO* A 200 14.855 30.355 12.210 437 H1* A 200 H1* A 200 13.263 31.709 12.906 438 H8 A 200 H8 A 200 12.983 33.924 9.777 439 1H6 A 200 1H6 A 200 7.974 30.462 8.409 440 2H6 A 200 2H6 A 200 8.955 31.809 7.875 441 H2 A 200 H2 A 200 9.734 28.927 12.188 442 1H5* C 201 1H5* C 201 18.400 32.456 16.535 443 2H5* C 201 2H5* C 201 18.387 31.709 14.937 444 H4* C 201 H4* C 201 15.876 32.593 16.367 445 H3* C 201 H3* C 201 17.335 29.957 16.546 446 H2* C 201 H2* C 201 15.235 28.877 16.813 447 2HO* C 201 2HO* C 201 13.946 31.413 16.645 448 H1* C 201 H1* C 201 14.084 30.360 14.681 449 1H4 C 201 1H4 C 201 15.539 24.599 12.291 450 2H4 C 201 2H4 C 201 17.121 25.220 11.871 451 H5 C 201 H5 C 201 17.904 27.358 12.496 452 H6 C 201 H6 C 201 17.357 29.450 13.689 453 1H5* C 202 1H5* C 202 14.971 30.253 20.297 454 2H5* C 202 2H5* C 202 15.785 29.319 21.552 455 H4* C 202 H4* C 202 13.481 28.547 21.023 456 H3* C 202 H3* C 202 15.811 26.655 20.736 457 H2* C 202 H2* C 202 14.274 24.884 20.352 458 2HO* C 202 2HO* C 202 12.093 26.683 20.610 459 H1* C 202 H1* C 202 12.764 26.432 18.520 460 1H4 C 202 1H4 C 202 16.550 22.615 15.030 461 2H4 C 202 2H4 C 202 17.738 23.900 15.007 462 H5 C 202 H5 C 202 17.537 25.899 16.247 463 H6 C 202 H6 C 202 16.134 27.171 17.832 464 1H5* C 203 1H5* C 203 14.806 25.459 25.272 465 2H5* C 203 2H5* C 203 16.456 25.092 25.774 466 H4* C 203 H4* C 203 14.897 23.143 25.764 467 H3* C 203 H3* C 203 17.457 23.103 24.186 468 H2* C 203 H2* C 203 17.057 20.829 23.611 469 2HO* C 203 2HO* C 203 14.629 20.472 24.776 470 H1* C 203 H1* C 203 14.410 21.319 22.831 471 1H4 C 203 1H4 C 203 18.005 21.615 17.523 472 2H4 C 203 2H4 C 203 18.036 23.353 17.716 473 H5 C 203 H5 C 203 17.171 24.484 19.600 474 H6 C 203 H6 C 203 16.051 24.223 21.786 475 1H5* U 204 1H5* U 204 17.073 19.972 26.698 476 2H5* U 204 2H5* U 204 18.448 19.280 27.557 477 H4* U 204 H4* U 204 17.365 17.576 26.246 478 H3* U 204 H3* U 204 20.111 18.395 25.339 479 H2* U 204 H2* U 204 20.073 16.676 23.691 480 2HO* U 204 2HO* U 204 18.998 15.119 24.901 481 H1* U 204 H1* U 204 17.554 17.411 22.735 482 H3 U 204 H3 U 204 20.786 18.560 19.650 483 H5 U 204 H5 U 204 20.412 21.860 22.201 484 H6 U 204 H6 U 204 19.020 20.455 23.652 485 1H5* A 205 1H5* A 205 21.457 14.736 28.145 486 2H5* A 205 2H5* A 205 23.196 15.030 28.156 487 H4* A 205 H4* A 205 22.235 13.137 26.682 488 H3* A 205 H3* A 205 24.326 15.127 25.829 489 H2* A 205 H2* A 205 24.552 13.983 23.761 490 2HO* A 205 2HO* A 205 23.094 11.958 23.680 491 H1* A 205 H1* A 205 21.794 13.844 23.315 492 H8 A 205 H8 A 205 22.372 17.149 24.820 493 1H6 A 205 1H6 A 205 24.111 19.186 19.182 494 2H6 A 205 2H6 A 205 23.690 19.689 20.804 495 H2 A 205 H2 A 205 23.834 14.754 19.034 496 1H5* G 206 1H5* G 206 28.357 14.697 25.761 497 2H5* G 206 2H5* G 206 27.612 15.961 24.783 498 H4* G 206 H4* G 206 29.474 14.666 23.691 499 H3* G 206 H3* G 206 26.769 14.989 22.425 500 H2* G 206 H2* G 206 27.549 13.870 20.472 501 2HO* G 206 2HO* G 206 29.917 13.255 20.607 502 H1* G 206 H1* G 206 28.607 11.727 21.904 503 H8 G 206 H8 G 206 25.440 13.777 21.552 504 H1 G 206 H1 G 206 24.481 7.392 22.009 505 1H2 G 206 1H2 G 206 26.265 6.457 22.447 506 2H2 G 206 2H2 G 206 27.795 7.281 22.659 507 1H5* U 207 1H5* U 207 26.902 17.461 18.631 508 2H5* U 207 2H5* U 207 28.503 17.629 17.910 509 H4* U 207 H4* U 207 26.875 19.656 17.966 510 H3* U 207 H3* U 207 29.829 19.721 18.522 511 H2* U 207 H2* U 207 29.729 22.079 18.766 512 2HO* U 207 2HO* U 207 28.211 22.955 17.488 513 H1* U 207 H1* U 207 27.516 22.022 20.461 514 H3 U 207 H3 U 207 30.650 22.987 23.531 515 H5 U 207 H5 U 207 31.689 19.114 22.324 516 H6 U 207 H6 U 207 29.906 19.265 20.647 517 1H5* A 208 1H5* A 208 31.275 22.273 14.057 518 2H5* A 208 2H5* A 208 29.814 22.580 13.119 519 H4* A 208 H4* A 208 31.380 21.513 11.688 520 H3* A 208 H3* A 208 29.038 19.849 12.498 521 H2* A 208 H2* A 208 29.836 17.980 11.258 522 2HO* A 208 2HO* A 208 31.622 18.350 9.843 523 H1* A 208 H1* A 208 32.393 18.112 12.385 524 H8 A 208 H8 A 208 29.188 18.775 14.379 525 1H6 A 208 1H6 A 208 29.933 12.974 16.557 526 2H6 A 208 2H6 A 208 28.949 14.416 16.672 527 H2 A 208 H2 A 208 33.123 13.755 13.565 528 1H5* G 209 1H5* G 209 28.074 19.758 8.885 529 2H5* G 209 2H5* G 209 26.344 19.724 8.545 530 H4* G 209 H4* G 209 27.366 17.507 9.081 531 H3* G 209 H3* G 209 25.020 18.577 10.623 532 H2* G 209 H2* G 209 24.886 16.528 11.834 533 2HO* G 209 2HO* G 209 27.172 15.502 10.536 534 H1* G 209 H1* G 209 27.601 16.531 12.475 535 H8 G 209 H8 G 209 26.497 20.053 12.610 536 H1 G 209 H1 G 209 24.744 16.682 17.849 537 1H2 G 209 1H2 G 209 25.045 14.671 17.507 538 2H2 G 209 2H2 G 209 25.679 13.998 16.022 539 1H5* A 210 1H5* A 210 24.214 14.420 10.214 540 2H5* A 210 2H5* A 210 22.608 14.366 9.489 541 H4* A 210 H4* A 210 22.648 13.029 11.491 542 H3* A 210 H3* A 210 21.006 15.552 11.656 543 H2* A 210 H2* A 210 20.200 14.847 13.773 544 2HO* A 210 2HO* A 210 21.255 12.560 14.301 545 H1* A 210 H1* A 210 22.778 14.114 14.672 546 H8 A 210 H8 A 210 22.879 17.341 12.811 547 1H6 A 210 1H6 A 210 21.464 20.150 18.202 548 2H6 A 210 2H6 A 210 21.971 20.426 16.550 549 H2 A 210 H2 A 210 21.014 15.765 18.760 550 1H5* G 211 1H5* G 211 18.309 12.013 12.398 551 2H5* G 211 2H5* G 211 16.792 12.393 11.582 552 H4* G 211 H4* G 211 16.364 11.733 13.862 553 H3* G 211 H3* G 211 15.795 14.592 13.151 554 H2* G 211 H2* G 211 14.932 14.981 15.337 555 2HO* G 211 2HO* G 211 14.095 13.196 16.246 556 H1* G 211 H1* G 211 17.163 13.842 16.590 557 H8 G 211 H8 G 211 18.405 15.718 13.656 558 H1 G 211 H1 G 211 17.016 19.556 18.679 559 1H2 G 211 1H2 G 211 15.974 18.482 20.098 560 2H2 G 211 2H2 G 211 15.540 16.794 19.949 561 1H5* G 212 1H5* G 212 11.335 13.071 12.664 562 2H5* G 212 2H5* G 212 10.817 14.171 11.387 563 H4* G 212 H4* G 212 9.758 14.503 13.652 564 H3* G 212 H3* G 212 11.091 16.738 12.143 565 H2* G 212 H2* G 212 10.360 18.277 13.808 566 2HO* G 212 2HO* G 212 8.378 17.498 14.362 567 H1* G 212 H1* G 212 11.291 16.690 15.916 568 H8 G 212 H8 G 212 13.828 16.340 13.290 569 H1 G 212 H1 G 212 14.215 22.045 16.320 570 1H2 G 212 1H2 G 212 12.523 22.335 17.462 571 2H2 G 212 2H2 G 212 11.196 21.201 17.580 572 1H5* G 213 1H5* G 213 6.906 17.909 13.020 573 2H5* G 213 2H5* G 213 6.253 18.670 11.569 574 H4* G 213 H4* G 213 5.870 20.060 13.516 575 H3* G 213 H3* G 213 7.709 21.116 11.395 576 H2* G 213 H2* G 213 7.933 23.168 12.583 577 2HO* G 213 2HO* G 213 6.550 23.396 14.497 578 H1* G 213 H1* G 213 8.505 21.873 15.006 579 H8 G 213 H8 G 213 10.270 19.927 12.450 580 H1 G 213 H1 G 213 13.270 25.507 13.774 581 1H2 G 213 1H2 G 213 12.017 26.717 14.877 582 2H2 G 213 2H2 G 213 10.395 26.285 15.370 583 1H5* G 214 1H5* G 214 6.316 25.161 10.603 584 2H5* G 214 2H5* G 214 5.498 24.591 9.149 585 H4* G 214 H4* G 214 7.202 26.207 8.579 586 H3* G 214 H3* G 214 7.588 23.390 7.647 587 H2* G 214 H2* G 214 9.622 23.966 6.565 588 2HO* G 214 2HO* G 214 9.836 26.575 7.247 589 H1* G 214 H1* G 214 10.624 25.345 8.794 590 H8 G 214 H8 G 214 8.930 22.372 10.136 591 H1 G 214 H1 G 214 14.695 20.965 7.554 592 1H2 G 214 1H2 G 214 15.377 22.580 6.469 593 2H2 G 214 2H2 G 214 14.514 24.091 6.286 594 1H5* G 215 1H5* G 215 8.016 25.716 2.996 595 2H5* G 215 2H5* G 215 6.674 24.619 2.670 596 H4* G 215 H4* G 215 8.816 24.548 1.194 597 H3* G 215 H3* G 215 7.246 22.192 2.200 598 H2* G 215 H2* G 215 8.685 20.722 1.001 599 2HO* G 215 2HO* G 215 8.984 21.991 -0.823 600 H1* G 215 H1* G 215 11.014 21.874 1.990 601 H8 G 215 H8 G 215 8.709 22.072 4.826 602 H1 G 215 H1 G 215 10.884 16.050 3.882 603 1H2 G 215 1H2 G 215 11.810 15.933 2.042 604 2H2 G 215 2H2 G 215 11.972 17.267 0.922 605 1H5* C 216 1H5* C 216 5.418 22.158 -2.131 606 2H5* C 216 2H5* C 216 3.946 21.238 -1.819 607 H4* C 216 H4* C 216 5.862 20.114 -3.115 608 H3* C 216 H3* C 216 4.341 18.846 -0.849 609 H2* C 216 H2* C 216 5.519 16.818 -1.216 610 2HO* C 216 2HO* C 216 6.446 16.536 -3.221 611 H1* C 216 H1* C 216 8.019 18.075 -1.346 612 1H4 C 216 1H4 C 216 7.257 16.092 4.707 613 2H4 C 216 2H4 C 216 6.691 17.699 5.101 614 H5 C 216 H5 C 216 6.290 19.383 3.494 615 H6 C 216 H6 C 216 6.335 19.945 1.090 616 1H5* U 217 1H5* U 217 2.595 15.459 -3.866 617 2H5* U 217 2H5* U 217 1.545 14.978 -2.533 618 H4* U 217 H4* U 217 3.682 13.556 -3.440 619 H3* U 217 H3* U 217 2.246 13.544 -0.799 620 H2* U 217 H2* U 217 3.759 11.894 0.011 621 2HO* U 217 2HO* U 217 5.034 10.813 -1.520 622 H1* U 217 H1* U 217 6.024 13.292 -0.777 623 H3 U 217 H3 U 217 5.368 13.492 3.816 624 H5 U 217 H5 U 217 3.616 16.936 2.200 625 H6 U 217 H6 U 217 3.923 15.931 -0.017 626 1H5* G 218 1H5* G 218 -0.203 9.052 -1.814 627 2H5* G 218 2H5* G 218 0.262 8.514 -0.199 628 H4* G 218 H4* G 218 1.158 6.873 -1.549 629 H3* G 218 H3* G 218 3.284 8.906 -0.941 630 H2* G 218 H2* G 218 4.839 7.742 -2.243 631 2HO* G 218 2HO* G 218 3.027 5.582 -2.593 632 H1* G 218 H1* G 218 2.759 6.973 -4.147 633 H8 G 218 H8 G 218 3.228 10.639 -3.659 634 H1 G 218 H1 G 218 7.235 8.100 -8.063 635 1H2 G 218 1H2 G 218 7.130 6.043 -7.984 636 2H2 G 218 2H2 G 218 6.109 5.139 -6.888 637 1H5* C 219 1H5* C 219 2.184 3.875 3.024 638 2H5* C 219 2H5* C 219 0.867 4.885 2.430 639 H4* C 219 H4* C 219 3.263 5.677 4.065 640 H3* C 219 H3* C 219 0.423 5.386 4.611 641 H2* C 219 H2* C 219 0.043 7.655 4.297 642 2HO* C 219 2HO* C 219 -0.099 7.942 6.441 643 H1* C 219 H1* C 219 2.970 8.195 4.994 644 1H4 C 219 1H4 C 219 0.787 13.829 2.726 645 2H4 C 219 2H4 C 219 1.366 13.288 1.166 646 H5 C 219 H5 C 219 2.161 11.104 0.743 647 H6 C 219 H6 C 219 2.602 8.881 1.722 648 1H5* G 220 1H5* G 220 5.092 4.222 6.777 649 2H5* G 220 2H5* G 220 4.608 5.612 5.806 650 H4* G 220 H4* G 220 6.349 3.284 5.040 651 H3* G 220 H3* G 220 6.694 6.288 5.051 652 H2* G 220 H2* G 220 8.296 6.072 3.373 653 2HO* G 220 2HO* G 220 8.624 3.364 3.337 654 H1* G 220 H1* G 220 6.878 3.693 2.339 655 H8 G 220 H8 G 220 6.772 4.227 -0.102 656 H1 G 220 H1 G 220 5.966 10.563 0.946 657 1H2 G 220 1H2 G 220 5.928 10.926 2.975 658 2H2 G 220 2H2 G 220 6.090 9.697 4.210 659 1H5* G 221 1H5* G 221 10.172 5.244 5.966 660 2H5* G 221 2H5* G 221 11.283 6.394 6.710 661 H4* G 221 H4* G 221 10.969 6.260 4.097 662 H3* G 221 H3* G 221 11.406 8.727 5.772 663 H2* G 221 H2* G 221 11.517 10.016 3.777 664 2HO* G 221 2HO* G 221 11.371 8.643 1.746 665 H1* G 221 H1* G 221 9.204 8.841 2.699 666 H8 G 221 H8 G 221 8.660 9.380 6.326 667 H1 G 221 H1 G 221 7.843 14.760 2.823 668 1H2 G 221 1H2 G 221 8.536 14.446 0.906 669 2H2 G 221 2H2 G 221 9.233 12.948 0.333 670 1H5* C 222 1H5* C 222 15.959 8.798 4.559 671 2H5* C 222 2H5* C 222 16.250 10.308 5.422 672 H4* C 222 H4* C 222 15.675 10.125 2.781 673 H3* C 222 H3* C 222 15.302 12.380 4.736 674 H2* C 222 H2* C 222 14.371 13.716 3.009 675 2HO* C 222 2HO* C 222 14.773 11.543 1.200 676 H1* C 222 H1* C 222 12.630 11.731 2.122 677 1H4 C 222 1H4 C 222 9.396 15.233 6.418 678 2H4 C 222 2H4 C 222 9.785 14.016 7.613 679 H5 C 222 H5 C 222 11.250 12.205 7.217 680 H6 C 222 H6 C 222 12.715 11.106 5.561 681 1H5* U 223 1H5* U 223 16.075 14.631 2.372 682 2H5* U 223 2H5* U 223 17.805 14.746 2.052 683 H4* U 223 H4* U 223 17.192 16.917 1.736 684 H3* U 223 H3* U 223 18.094 16.582 4.545 685 H2* U 223 H2* U 223 17.395 18.743 5.194 686 2HO* U 223 2HO* U 223 17.091 20.260 3.565 687 H1* U 223 H1* U 223 14.874 18.570 4.034 688 H3 U 223 H3 U 223 14.642 18.278 8.657 689 H5 U 223 H5 U 223 14.837 14.348 7.224 690 H6 U 223 H6 U 223 15.369 15.282 5.021 691 1H5* U 224 1H5* U 224 19.483 14.421 0.782 692 2H5* U 224 2H5* U 224 20.291 15.336 -0.491 693 H4* U 224 H4* U 224 18.245 14.117 -1.221 694 H3* U 224 H3* U 224 18.467 17.098 -1.586 695 H2* U 224 H2* U 224 16.433 17.081 -2.804 696 2HO* U 224 2HO* U 224 16.919 15.133 -3.900 697 H1* U 224 H1* U 224 15.146 15.415 -0.914 698 H3 U 224 H3 U 224 12.785 18.969 0.383 699 H5 U 224 H5 U 224 16.705 20.442 0.474 700 H6 U 224 H6 U 224 17.443 18.245 -0.330 701 1H5* A 225 1H5* A 225 20.295 16.048 -5.973 702 2H5* A 225 2H5* A 225 20.438 17.725 -6.499 703 H4* A 225 H4* A 225 18.453 16.180 -7.293 704 H3* A 225 H3* A 225 18.400 19.123 -6.686 705 H2* A 225 H2* A 225 16.105 19.212 -7.279 706 2HO* A 225 2HO* A 225 16.236 17.803 -9.037 707 H1* A 225 H1* A 225 15.388 17.004 -5.751 708 H8 A 225 H8 A 225 18.111 19.052 -4.144 709 1H6 A 225 1H6 A 225 13.537 22.312 -1.424 710 2H6 A 225 2H6 A 225 15.269 22.067 -1.470 711 H2 A 225 H2 A 225 11.705 19.549 -4.382 712 1H5* G 226 1H5* G 226 17.652 19.348 -10.791 713 2H5* G 226 2H5* G 226 18.319 20.801 -11.535 714 H4* G 226 H4* G 226 15.941 21.046 -11.295 715 H3* G 226 H3* G 226 17.631 22.809 -9.549 716 H2* G 226 H2* G 226 15.672 23.901 -8.745 717 2HO* G 226 2HO* G 226 13.638 23.233 -9.798 718 H1* G 226 H1* G 226 14.377 21.512 -8.128 719 H8 G 226 H8 G 226 17.951 20.972 -7.365 720 H1 G 226 H1 G 226 14.912 24.403 -2.797 721 1H2 G 226 1H2 G 226 13.060 24.987 -3.491 722 2H2 G 226 2H2 G 226 12.425 24.603 -5.076 723 1H5* G 227 1H5* G 227 17.436 25.448 -13.784 724 2H5* G 227 2H5* G 227 18.894 26.404 -13.520 725 H4* G 227 H4* G 227 16.730 27.668 -13.408 726 H3* G 227 H3* G 227 18.740 27.732 -11.176 727 H2* G 227 H2* G 227 17.408 29.332 -10.018 728 2HO* G 227 2HO* G 227 15.965 30.478 -11.234 729 H1* G 227 H1* G 227 15.073 27.834 -10.261 730 H8 G 227 H8 G 227 18.297 25.887 -9.762 731 H1 G 227 H1 G 227 15.171 27.403 -4.302 732 1H2 G 227 1H2 G 227 13.585 28.647 -4.739 733 2H2 G 227 2H2 G 227 13.165 29.197 -6.346 734 1H5* A 228 1H5* A 228 17.547 31.980 -11.533 735 2H5* A 228 2H5* A 228 19.070 32.799 -11.189 736 H4* A 228 H4* A 228 17.189 33.257 -9.586 737 H3* A 228 H3* A 228 19.853 32.226 -8.612 738 H2* A 228 H2* A 228 19.126 32.591 -6.387 739 2HO* A 228 2HO* A 228 18.107 34.596 -7.045 740 H1* A 228 H1* A 228 16.563 31.468 -6.911 741 H8 A 228 H8 A 228 19.264 29.362 -8.354 742 1H6 A 228 1H6 A 228 19.730 26.621 -2.766 743 2H6 A 228 2H6 A 228 20.239 26.528 -4.438 744 H2 A 228 H2 A 228 17.097 30.176 -2.356 745 1H5* G 229 1H5* G 229 19.780 36.713 -6.697 746 2H5* G 229 2H5* G 229 21.537 36.866 -6.680 747 H4* G 229 H4* G 229 20.411 37.201 -4.470 748 H3* G 229 H3* G 229 22.590 35.162 -4.837 749 H2* G 229 H2* G 229 22.550 34.712 -2.498 750 2HO* G 229 2HO* G 229 20.425 36.580 -2.195 751 H1* G 229 H1* G 229 19.773 34.399 -2.438 752 H8 G 229 H8 G 229 20.975 32.942 -5.622 753 H1 G 229 H1 G 229 21.894 29.021 -0.555 754 1H2 G 229 1H2 G 229 21.559 30.064 1.192 755 2H2 G 229 2H2 G 229 21.098 31.749 1.273 756 1H5* G 230 1H5* G 230 24.067 38.013 -1.371 757 2H5* G 230 2H5* G 230 25.805 37.921 -1.659 758 H4* G 230 H4* G 230 25.073 37.317 0.655 759 H3* G 230 H3* G 230 26.706 35.432 -1.024 760 H2* G 230 H2* G 230 26.873 33.940 0.827 761 2HO* G 230 2HO* G 230 25.342 35.149 2.662 762 H1* G 230 H1* G 230 24.125 33.986 1.325 763 H8 G 230 H8 G 230 24.444 34.068 -2.337 764 H1 G 230 H1 G 230 25.521 28.170 0.100 765 1H2 G 230 1H2 G 230 25.735 28.299 2.147 766 2H2 G 230 2H2 G 230 25.637 29.784 3.066 767 1H5* G 231 1H5* G 231 29.028 35.840 2.999 768 2H5* G 231 2H5* G 231 30.661 35.969 2.345 769 H4* G 231 H4* G 231 30.456 34.220 4.058 770 H3* G 231 H3* G 231 31.265 33.455 1.267 771 H2* G 231 H2* G 231 31.613 31.210 1.986 772 2HO* G 231 2HO* G 231 31.249 30.891 4.374 773 H1* G 231 H1* G 231 29.124 31.045 3.238 774 H8 G 231 H8 G 231 28.643 33.064 0.177 775 H1 G 231 H1 G 231 28.953 26.714 -1.031 776 1H2 G 231 1H2 G 231 29.609 25.723 0.654 777 2H2 G 231 2H2 G 231 30.014 26.497 2.170 778 1H5* C 232 1H5* C 232 34.148 31.891 3.931 779 2H5* C 232 2H5* C 232 35.795 32.119 3.344 780 H4* C 232 H4* C 232 35.460 29.800 3.826 781 H3* C 232 H3* C 232 35.710 30.495 0.917 782 H2* C 232 H2* C 232 35.582 28.196 0.334 783 2HO* C 232 2HO* C 232 35.840 26.671 2.023 784 H1* C 232 H1* C 232 33.353 27.747 2.009 785 1H4 C 232 1H4 C 232 30.870 28.550 -3.820 786 2H4 C 232 2H4 C 232 30.980 30.283 -3.613 787 H5 C 232 H5 C 232 31.995 31.325 -1.753 788 H6 C 232 H6 C 232 33.166 30.957 0.389 789 1H5* A 233 1H5* A 233 39.063 27.264 1.558 790 2H5* A 233 2H5* A 233 40.316 28.020 0.573 791 H4* A 233 H4* A 233 39.883 25.689 -0.068 792 H3* A 233 H3* A 233 39.400 27.872 -2.075 793 H2* A 233 H2* A 233 38.900 26.247 -3.734 794 2HO* A 233 2HO* A 233 39.719 24.222 -3.407 795 H1* A 233 H1* A 233 37.164 24.817 -2.051 796 H8 A 233 H8 A 233 36.613 28.422 -1.429 797 1H6 A 233 1H6 A 233 32.844 28.454 -6.403 798 2H6 A 233 2H6 A 233 33.377 29.387 -5.022 799 H2 A 233 H2 A 233 35.015 24.577 -6.330 800 1H5* G 234 1H5* G 234 42.707 25.195 -4.254 801 2H5* G 234 2H5* G 234 43.677 26.555 -4.818 802 H4* G 234 H4* G 234 43.155 25.060 -6.649 803 H3* G 234 H3* G 234 41.953 27.812 -6.739 804 H2* G 234 H2* G 234 41.064 27.353 -8.902 805 2HO* G 234 2HO* G 234 41.664 25.045 -9.645 806 H1* G 234 H1* G 234 39.929 24.930 -8.109 807 H8 G 234 H8 G 234 39.613 27.333 -5.294 808 H1 G 234 H1 G 234 35.104 28.159 -9.863 809 1H2 G 234 1H2 G 234 35.595 27.040 -11.525 810 2H2 G 234 2H2 G 234 37.017 26.029 -11.660 811 1H GLY 15 1H GLY 15 5.791 -2.219 0.152 812 1HA GLY 15 1HA GLY 15 7.150 -2.531 -1.678 813 2HA GLY 15 2HA GLY 15 5.780 -2.096 -2.690 814 H ARG 16 H ARG 16 8.705 -1.025 -1.222 815 HA ARG 16 HA ARG 16 8.494 1.732 -1.386 816 1HB ARG 16 2HB ARG 16 10.425 0.229 -0.511 817 2HB ARG 16 3HB ARG 16 11.028 0.320 -2.160 818 1HG ARG 16 2HG ARG 16 11.329 2.655 -2.027 819 2HG ARG 16 3HG ARG 16 10.391 2.764 -0.537 820 1HD ARG 16 2HD ARG 16 12.375 0.978 0.114 821 2HD ARG 16 3HD ARG 16 13.208 2.118 -0.942 822 HE ARG 16 HE ARG 16 13.042 3.703 0.701 823 1HH1 ARG 16 2HH1 ARG 16 10.843 1.097 1.406 824 2HH1 ARG 16 1HH1 ARG 16 10.432 1.696 2.979 825 1HH2 ARG 16 2HH2 ARG 16 12.507 4.502 2.769 826 2HH2 ARG 16 1HH2 ARG 16 11.378 3.635 3.752 827 H ALA 17 H ALA 17 8.789 3.247 -2.973 828 HA ALA 17 HA ALA 17 9.159 2.252 -5.720 829 1HB ALA 17 1HB ALA 17 6.779 2.741 -5.287 830 2HB ALA 17 2HB ALA 17 7.215 4.407 -4.900 831 3HB ALA 17 3HB ALA 17 7.475 3.783 -6.529 832 H ARG 18 H ARG 18 10.459 4.063 -3.360 833 HA ARG 18 HA ARG 18 11.069 6.550 -4.316 834 1HB ARG 18 2HB ARG 18 12.264 4.683 -2.443 835 2HB ARG 18 3HB ARG 18 13.487 5.649 -3.258 836 1HG ARG 18 2HG ARG 18 11.211 7.215 -2.327 837 2HG ARG 18 3HG ARG 18 12.083 6.391 -1.032 838 1HD ARG 18 2HD ARG 18 13.881 7.610 -2.952 839 2HD ARG 18 3HD ARG 18 12.778 8.789 -2.244 840 HE ARG 18 HE ARG 18 13.870 7.170 -0.213 841 1HH1 ARG 18 2HH1 ARG 18 14.759 9.703 -2.428 842 2HH1 ARG 18 1HH1 ARG 18 16.005 10.339 -1.405 843 1HH2 ARG 18 2HH2 ARG 18 15.506 7.998 1.143 844 2HH2 ARG 18 1HH2 ARG 18 16.430 9.368 0.625 845 H GLY 19 H GLY 19 12.087 7.340 -6.040 846 1HA GLY 19 1HA GLY 19 14.146 7.280 -7.398 847 2HA GLY 19 2HA GLY 19 13.918 5.542 -7.507 848 H LEU 20 H LEU 20 11.027 5.766 -7.904 849 HA LEU 20 HA LEU 20 11.065 6.719 -10.691 850 1HB LEU 20 2HB LEU 20 10.040 4.293 -9.414 851 2HB LEU 20 3HB LEU 20 8.902 5.055 -10.523 852 HG LEU 20 HG LEU 20 11.582 4.767 -11.643 853 1HD1 LEU 20 1HD1 LEU 20 11.419 2.342 -11.978 854 2HD1 LEU 20 2HD1 LEU 20 10.033 2.292 -10.890 855 3HD1 LEU 20 3HD1 LEU 20 11.617 2.764 -10.277 856 1HD2 LEU 20 1HD2 LEU 20 10.335 3.961 -13.544 857 2HD2 LEU 20 2HD2 LEU 20 9.548 5.399 -12.895 858 3HD2 LEU 20 3HD2 LEU 20 8.877 3.801 -12.564 859 H CYS 21 H CYS 21 9.780 8.458 -11.202 860 HA CYS 21 HA CYS 21 8.120 9.546 -9.196 861 1HB CYS 21 2HB CYS 21 9.350 10.891 -10.903 862 2HB CYS 21 3HB CYS 21 8.269 10.278 -12.140 863 H TYR 22 H TYR 22 5.835 9.763 -9.312 864 HA TYR 22 HA TYR 22 4.482 7.669 -10.885 865 1HB TYR 22 2HB TYR 22 4.103 6.931 -8.745 866 2HB TYR 22 3HB TYR 22 4.180 8.549 -8.056 867 HD1 TYR 22 HD1 TYR 22 2.020 6.556 -10.370 868 HD2 TYR 22 HD2 TYR 22 2.215 9.471 -7.277 869 HE1 TYR 22 HE1 TYR 22 -0.438 6.633 -10.295 870 HE2 TYR 22 HE2 TYR 22 -0.242 9.554 -7.192 871 HH TYR 22 HH TYR 22 -2.214 8.072 -9.585 872 H THR 23 H THR 23 4.579 11.006 -10.001 873 HA THR 23 HA THR 23 1.961 11.762 -10.729 874 HB THR 23 HB THR 23 4.505 13.399 -10.772 875 HG1 THR 23 HG1 THR 23 2.433 13.284 -8.818 876 1HG2 THR 23 1HG2 THR 23 2.797 14.443 -12.151 877 2HG2 THR 23 2HG2 THR 23 2.991 15.346 -10.649 878 3HG2 THR 23 3HG2 THR 23 1.613 14.266 -10.857 879 H CYS 24 H CYS 24 5.044 11.602 -12.626 880 HA CYS 24 HA CYS 24 3.389 12.084 -14.995 881 1HB CYS 24 2HB CYS 24 5.384 12.914 -16.114 882 2HB CYS 24 3HB CYS 24 5.100 13.817 -14.641 883 H GLY 25 H GLY 25 5.892 10.173 -13.424 884 1HA GLY 25 1HA GLY 25 5.981 7.788 -13.667 885 2HA GLY 25 2HA GLY 25 5.353 7.969 -15.298 886 H SER 26 H SER 26 7.961 9.887 -13.926 887 HA SER 26 HA SER 26 9.732 8.833 -16.011 888 1HB SER 26 2HB SER 26 9.252 11.358 -15.668 889 2HB SER 26 3HB SER 26 10.343 11.223 -14.288 890 HG SER 26 HG SER 26 10.961 10.548 -16.977 891 HA PRO 27 HA PRO 27 11.782 6.503 -12.811 892 1HB PRO 27 2HB PRO 27 13.673 5.425 -14.433 893 2HB PRO 27 3HB PRO 27 12.005 4.840 -14.380 894 1HG PRO 27 2HG PRO 27 13.302 6.687 -16.346 895 2HG PRO 27 3HG PRO 27 12.186 5.342 -16.643 896 1HD PRO 27 2HD PRO 27 11.382 7.927 -16.634 897 2HD PRO 27 3HD PRO 27 10.330 6.598 -16.106 898 H GLY 28 H GLY 28 12.676 8.185 -11.586 899 1HA GLY 28 1HA GLY 28 15.380 8.426 -11.386 900 2HA GLY 28 2HA GLY 28 14.947 9.679 -12.540 901 H HIS 29 H HIS 29 12.992 11.048 -11.756 902 HA HIS 29 HA HIS 29 13.689 11.985 -9.079 903 1HB HIS 29 2HB HIS 29 12.589 14.042 -9.667 904 2HB HIS 29 3HB HIS 29 13.630 13.578 -11.009 905 HD1 HIS 29 HD1 HIS 29 12.558 13.555 -13.246 906 HD2 HIS 29 HD2 HIS 29 9.765 13.325 -10.178 907 HE1 HIS 29 HE1 HIS 29 10.312 13.672 -14.371 908 H TYR 30 H TYR 30 11.482 13.209 -8.186 909 HA TYR 30 HA TYR 30 9.358 11.181 -8.145 910 1HB TYR 30 2HB TYR 30 11.150 11.699 -6.019 911 2HB TYR 30 3HB TYR 30 9.600 12.388 -5.551 912 HD1 TYR 30 HD1 TYR 30 10.845 9.262 -7.193 913 HD2 TYR 30 HD2 TYR 30 8.225 11.008 -4.331 914 HE1 TYR 30 HE1 TYR 30 10.045 7.021 -6.568 915 HE2 TYR 30 HE2 TYR 30 7.419 8.773 -3.696 916 HH TYR 30 HH TYR 30 8.720 6.199 -3.974 917 H GLN 31 H GLN 31 7.451 12.157 -6.731 918 HA GLN 31 HA GLN 31 6.283 14.191 -8.162 919 1HB GLN 31 2HB GLN 31 5.011 12.752 -6.671 920 2HB GLN 31 3HB GLN 31 5.817 13.448 -5.270 921 1HG GLN 31 2HG GLN 31 4.484 15.242 -5.235 922 2HG GLN 31 3HG GLN 31 4.481 15.403 -6.989 923 1HE2 GLN 31 1HE2 GLN 31 2.312 15.710 -7.219 924 2HE2 GLN 31 2HE2 GLN 31 1.134 14.492 -6.883 925 H ALA 32 H ALA 32 8.188 14.447 -5.188 926 HA ALA 32 HA ALA 32 7.841 17.165 -4.689 927 1HB ALA 32 1HB ALA 32 10.287 15.481 -4.155 928 2HB ALA 32 2HB ALA 32 9.915 17.035 -3.405 929 3HB ALA 32 3HB ALA 32 8.884 15.637 -3.096 930 H GLN 33 H GLN 33 9.874 15.524 -7.006 931 HA GLN 33 HA GLN 33 10.888 18.139 -7.910 932 1HB GLN 33 2HB GLN 33 12.212 15.448 -8.279 933 2HB GLN 33 3HB GLN 33 12.864 17.009 -8.758 934 1HG GLN 33 2HG GLN 33 13.680 17.401 -6.732 935 2HG GLN 33 3HG GLN 33 12.176 16.929 -5.945 936 1HE2 GLN 33 1HE2 GLN 33 12.231 15.170 -4.746 937 2HE2 GLN 33 2HE2 GLN 33 13.417 13.917 -4.834 938 H CYS 34 H CYS 34 8.314 16.755 -8.674 939 HA CYS 34 HA CYS 34 8.856 15.817 -11.336 940 1HB CYS 34 2HB CYS 34 7.078 14.822 -9.868 941 2HB CYS 34 3HB CYS 34 6.177 16.319 -10.001 942 HA PRO 35 HA PRO 35 8.690 19.970 -12.962 943 1HB PRO 35 2HB PRO 35 8.758 19.255 -15.580 944 2HB PRO 35 3HB PRO 35 10.185 19.220 -14.537 945 1HG PRO 35 2HG PRO 35 8.387 16.973 -15.362 946 2HG PRO 35 3HG PRO 35 10.157 17.010 -15.260 947 1HD PRO 35 2HD PRO 35 8.609 15.890 -13.341 948 2HD PRO 35 3HD PRO 35 10.157 16.681 -12.979 949 H LYS 36 H LYS 36 6.351 17.509 -13.341 950 HA LYS 36 HA LYS 36 4.529 19.255 -14.828 951 1HB LYS 36 2HB LYS 36 4.806 16.356 -14.458 952 2HB LYS 36 3HB LYS 36 3.146 16.928 -14.365 953 1HG LYS 36 2HG LYS 36 3.217 17.803 -16.551 954 2HG LYS 36 3HG LYS 36 4.973 17.652 -16.636 955 1HD LYS 36 2HD LYS 36 4.699 15.658 -17.583 956 2HD LYS 36 3HD LYS 36 4.004 15.080 -16.067 957 1HE LYS 36 2HE LYS 36 1.792 15.970 -16.865 958 2HE LYS 36 3HE LYS 36 2.552 16.258 -18.430 959 1HZ LYS 36 1HZ LYS 36 2.622 13.592 -17.161 960 2HZ LYS 36 2HZ LYS 36 2.842 13.993 -18.789 961 3HZ LYS 36 3HZ LYS 36 1.301 14.081 -18.099 962 H LYS 37 H LYS 37 5.380 18.825 -11.718 963 HA LYS 37 HA LYS 37 3.085 18.417 -10.240 964 1HB LYS 37 2HB LYS 37 5.608 19.929 -9.798 965 2HB LYS 37 3HB LYS 37 4.279 20.239 -8.689 966 1HG LYS 37 2HG LYS 37 4.571 17.420 -9.033 967 2HG LYS 37 3HG LYS 37 6.137 18.128 -8.630 968 1HD LYS 37 2HD LYS 37 4.950 17.492 -6.607 969 2HD LYS 37 3HD LYS 37 5.116 19.248 -6.694 970 1HE LYS 37 2HE LYS 37 2.694 18.498 -7.991 971 2HE LYS 37 3HE LYS 37 2.753 17.708 -6.417 972 1HZ LYS 37 1HZ LYS 37 2.652 20.562 -7.064 973 2HZ LYS 37 2HZ LYS 37 3.487 20.096 -5.669 974 3HZ LYS 37 3HZ LYS 37 1.851 19.704 -5.846 975 H ARG 38 H ARG 38 1.925 20.149 -8.929 976 HA ARG 38 HA ARG 38 1.624 22.759 -9.986 977 1HB ARG 38 2HB ARG 38 -0.755 22.437 -10.787 978 2HB ARG 38 3HB ARG 38 0.499 21.785 -11.833 979 1HG ARG 38 2HG ARG 38 -0.032 19.593 -11.326 980 2HG ARG 38 3HG ARG 38 -0.826 20.031 -9.812 981 1HD ARG 38 2HD ARG 38 -2.799 20.324 -10.818 982 2HD ARG 38 3HD ARG 38 -2.081 21.256 -12.131 983 HE ARG 38 HE ARG 38 -2.006 19.348 -13.408 984 1HH1 ARG 38 2HH1 ARG 38 -2.684 18.509 -10.097 985 2HH1 ARG 38 1HH1 ARG 38 -3.054 16.855 -10.456 986 1HH2 ARG 38 2HH2 ARG 38 -2.492 17.172 -13.892 987 2HH2 ARG 38 1HH2 ARG 38 -2.945 16.096 -12.615 988 H LYS 39 H LYS 39 -0.257 23.906 -8.981 989 HA LYS 39 HA LYS 39 -1.519 22.668 -6.710 990 1HB LYS 39 2HB LYS 39 -0.517 23.951 -4.982 991 2HB LYS 39 3HB LYS 39 0.807 23.269 -5.916 992 1HG LYS 39 2HG LYS 39 1.130 25.384 -7.055 993 2HG LYS 39 3HG LYS 39 -0.246 26.077 -6.194 994 1HD LYS 39 2HD LYS 39 2.019 24.885 -4.651 995 2HD LYS 39 3HD LYS 39 2.186 26.501 -5.341 996 1HE LYS 39 2HE LYS 39 1.174 27.252 -3.503 997 2HE LYS 39 3HE LYS 39 -0.307 26.550 -4.149 998 1HZ LYS 39 1HZ LYS 39 -0.163 25.627 -2.056 999 2HZ LYS 39 2HZ LYS 39 1.519 25.459 -2.112 1000 3HZ LYS 39 3HZ LYS 39 0.535 24.418 -3.012 1001 H SER 40 H SER 40 -2.328 24.835 -5.292 1002 HA SER 40 HA SER 40 -3.643 26.555 -7.291 1003 1HB SER 40 2HB SER 40 -4.808 24.851 -5.201 1004 2HB SER 40 3HB SER 40 -5.421 26.504 -5.199 1005 HG SER 40 HG SER 40 -6.692 25.517 -6.641 1006 H GLY 41 H GLY 41 -3.622 26.476 -3.733 1007 1HA GLY 41 1HA GLY 41 -2.005 28.119 -2.676 1008 2HA GLY 41 2HA GLY 41 -2.708 29.282 -3.791 1009 H ASN 42 H ASN 42 -3.124 30.458 -1.753 1010 HA ASN 42 HA ASN 42 -5.779 29.755 -0.751 1011 1HB ASN 42 2HB ASN 42 -3.704 29.078 0.788 1012 2HB ASN 42 3HB ASN 42 -3.837 30.768 1.267 1013 1HD2 ASN 42 1HD2 ASN 42 -4.823 27.712 1.956 1014 2HD2 ASN 42 2HD2 ASN 42 -6.259 28.067 2.849 1015 H SER 43 H SER 43 -3.162 32.163 -0.629 1016 HA SER 43 HA SER 43 -3.172 34.432 -0.799 1017 1HB SER 43 2HB SER 43 -5.989 34.474 -1.792 1018 2HB SER 43 3HB SER 43 -4.588 35.388 -2.349 1019 HG SER 43 HG SER 43 -5.443 32.832 -3.040 1020 H ARG 44 H ARG 44 -3.138 35.266 1.197 1021 HA ARG 44 HA ARG 44 -5.617 36.190 2.355 1022 1HB ARG 44 2HB ARG 44 -4.662 33.726 3.204 1023 2HB ARG 44 3HB ARG 44 -4.072 34.844 4.426 1024 1HG ARG 44 2HG ARG 44 -6.108 34.237 5.292 1025 2HG ARG 44 3HG ARG 44 -6.521 35.717 4.425 1026 1HD ARG 44 2HD ARG 44 -7.737 34.621 2.860 1027 2HD ARG 44 3HD ARG 44 -6.679 33.210 2.876 1028 HE ARG 44 HE ARG 44 -8.078 32.241 4.396 1029 1HH1 ARG 44 2HH1 ARG 44 -8.655 35.674 4.373 1030 2HH1 ARG 44 1HH1 ARG 44 -10.019 35.584 5.439 1031 1HH2 ARG 44 2HH2 ARG 44 -9.871 32.109 5.799 1032 2HH2 ARG 44 1HH2 ARG 44 -10.709 33.555 6.249 1033 H GLU 45 H GLU 45 -5.211 37.548 4.311 1034 HA GLU 45 HA GLU 45 -3.303 39.500 3.812 1035 1HB GLU 45 2HB GLU 45 -3.789 40.334 6.073 1036 2HB GLU 45 3HB GLU 45 -5.258 39.909 5.206 1037 1HG GLU 45 2HG GLU 45 -5.196 37.702 6.413 1038 2HG GLU 45 3HG GLU 45 -3.912 38.381 7.412 1039 H ARG 46 H ARG 46 -3.034 36.514 5.571 1040 HA ARG 46 HA ARG 46 -0.379 37.261 6.565 1041 1HB ARG 46 2HB ARG 46 -2.208 36.156 8.022 1042 2HB ARG 46 3HB ARG 46 -1.789 34.677 7.167 1043 1HG ARG 46 2HG ARG 46 0.411 34.690 8.024 1044 2HG ARG 46 3HG ARG 46 0.243 36.344 8.620 1045 1HD ARG 46 2HD ARG 46 -0.147 35.286 10.579 1046 2HD ARG 46 3HD ARG 46 -1.785 35.186 9.936 1047 HE ARG 46 HE ARG 46 -0.356 32.941 9.070 1048 1HH1 ARG 46 2HH1 ARG 46 -1.605 34.321 12.013 1049 2HH1 ARG 46 1HH1 ARG 46 -1.818 32.789 12.794 1050 1HH2 ARG 46 2HH2 ARG 46 -0.633 30.918 10.088 1051 2HH2 ARG 46 1HH2 ARG 46 -1.264 30.854 11.698 1052 H CYS 47 H CYS 47 1.354 35.419 6.479 1053 HA CYS 47 HA CYS 47 1.117 34.163 3.841 1054 1HB CYS 47 2HB CYS 47 2.773 35.983 3.837 1055 2HB CYS 47 3HB CYS 47 3.622 35.239 5.178 1056 H GLN 48 H GLN 48 1.002 32.030 4.029 1057 HA GLN 48 HA GLN 48 1.838 30.711 6.498 1058 1HB GLN 48 2HB GLN 48 -0.369 30.394 4.844 1059 2HB GLN 48 3HB GLN 48 0.635 28.999 4.474 1060 1HG GLN 48 2HG GLN 48 -0.576 28.145 6.190 1061 2HG GLN 48 3HG GLN 48 0.769 28.833 7.100 1062 1HE2 GLN 48 1HE2 GLN 48 -2.501 28.588 6.959 1063 2HE2 GLN 48 2HE2 GLN 48 -2.937 29.978 7.888 1064 H LEU 49 H LEU 49 3.807 31.661 4.575 1065 HA LEU 49 HA LEU 49 5.073 29.078 3.950 1066 1HB LEU 49 2HB LEU 49 4.237 31.005 2.101 1067 2HB LEU 49 3HB LEU 49 5.986 31.186 2.213 1068 HG LEU 49 HG LEU 49 4.935 28.438 1.848 1069 1HD1 LEU 49 1HD1 LEU 49 3.555 29.285 0.219 1070 2HD1 LEU 49 2HD1 LEU 49 5.036 29.010 -0.697 1071 3HD1 LEU 49 3HD1 LEU 49 4.630 30.635 -0.145 1072 1HD2 LEU 49 1HD2 LEU 49 7.371 29.998 1.320 1073 2HD2 LEU 49 2HD2 LEU 49 6.947 28.814 0.081 1074 3HD2 LEU 49 3HD2 LEU 49 7.179 28.299 1.754 1075 H CYS 50 H CYS 50 5.476 32.523 4.879 1076 HA CYS 50 HA CYS 50 8.093 31.739 5.923 1077 1HB CYS 50 2HB CYS 50 9.148 33.703 5.175 1078 2HB CYS 50 3HB CYS 50 8.248 33.127 3.785 1079 H ASN 51 H ASN 51 5.162 32.188 6.769 1080 HA ASN 51 HA ASN 51 4.013 32.962 8.572 1081 1HB ASN 51 2HB ASN 51 6.721 32.524 9.465 1082 2HB ASN 51 3HB ASN 51 6.003 33.872 10.342 1083 1HD2 ASN 51 1HD2 ASN 51 5.757 30.476 9.601 1084 2HD2 ASN 51 2HD2 ASN 51 4.695 30.067 10.901 1085 H GLY 52 H GLY 52 5.080 34.834 6.433 1086 1HA GLY 52 1HA GLY 52 5.637 37.345 7.593 1087 2HA GLY 52 2HA GLY 52 5.031 37.081 5.965 1088 H MET 53 H MET 53 4.285 39.251 7.604 1089 HA MET 53 HA MET 53 1.435 38.636 8.027 1090 1HB MET 53 2HB MET 53 3.017 39.218 10.072 1091 2HB MET 53 3HB MET 53 2.726 40.866 9.531 1092 1HG MET 53 2HG MET 53 0.907 40.807 10.797 1093 2HG MET 53 3HG MET 53 0.209 39.774 9.552 1094 1HE MET 53 1HE MET 53 0.439 39.712 13.487 1095 2HE MET 53 2HE MET 53 1.868 38.687 13.623 1096 3HE MET 53 3HE MET 53 1.958 40.214 12.743 1097 H GLY 54 H GLY 54 0.691 39.369 6.071 1098 1HA GLY 54 1HA GLY 54 -0.225 41.790 5.585 1099 2HA GLY 54 2HA GLY 54 1.467 42.046 5.182 1100 H HIS 55 H HIS 55 2.286 40.038 3.751 1101 HA HIS 55 HA HIS 55 0.665 40.196 1.351 1102 1HB HIS 55 2HB HIS 55 2.590 39.121 0.250 1103 2HB HIS 55 3HB HIS 55 3.073 40.548 1.162 1104 HD1 HIS 55 HD1 HIS 55 4.180 40.010 3.575 1105 HD2 HIS 55 HD2 HIS 55 3.961 36.855 0.880 1106 HE1 HIS 55 HE1 HIS 55 5.804 38.287 4.424 1107 H ASN 56 H ASN 56 1.083 37.910 0.020 1108 HA ASN 56 HA ASN 56 -0.109 35.831 1.736 1109 1HB ASN 56 2HB ASN 56 -1.337 35.070 -0.313 1110 2HB ASN 56 3HB ASN 56 -1.824 36.660 0.265 1111 1HD2 ASN 56 1HD2 ASN 56 -1.171 34.948 -2.416 1112 2HD2 ASN 56 2HD2 ASN 56 -0.692 36.220 -3.483 1113 H ALA 57 H ALA 57 0.365 33.643 1.193 1114 HA ALA 57 HA ALA 57 3.029 33.099 0.645 1115 1HB ALA 57 1HB ALA 57 2.003 30.729 0.078 1116 2HB ALA 57 2HB ALA 57 2.035 31.356 1.727 1117 3HB ALA 57 3HB ALA 57 0.556 31.460 0.773 1118 H LYS 58 H LYS 58 0.227 32.958 -1.526 1119 HA LYS 58 HA LYS 58 1.501 31.921 -3.778 1120 1HB LYS 58 2HB LYS 58 -1.033 33.020 -3.153 1121 2HB LYS 58 3HB LYS 58 -0.446 33.869 -4.576 1122 1HG LYS 58 2HG LYS 58 -0.764 30.891 -4.264 1123 2HG LYS 58 3HG LYS 58 -1.764 31.969 -5.242 1124 1HD LYS 58 2HD LYS 58 -0.390 31.586 -6.950 1125 2HD LYS 58 3HD LYS 58 0.876 32.432 -6.058 1126 1HE LYS 58 2HE LYS 58 1.594 30.201 -6.788 1127 2HE LYS 58 3HE LYS 58 1.579 30.350 -5.031 1128 1HZ LYS 58 1HZ LYS 58 -0.687 29.189 -6.543 1129 2HZ LYS 58 2HZ LYS 58 -0.375 29.080 -4.884 1130 3HZ LYS 58 3HZ LYS 58 0.605 28.250 -5.986 1131 H GLN 59 H GLN 59 1.682 35.057 -2.352 1132 HA GLN 59 HA GLN 59 3.201 36.031 -4.680 1133 1HB GLN 59 2HB GLN 59 1.006 37.201 -3.425 1134 2HB GLN 59 3HB GLN 59 2.387 38.104 -2.817 1135 1HG GLN 59 2HG GLN 59 2.541 37.682 -5.677 1136 2HG GLN 59 3HG GLN 59 1.060 38.514 -5.205 1137 1HE2 GLN 59 1HE2 GLN 59 3.414 39.476 -6.668 1138 2HE2 GLN 59 2HE2 GLN 59 3.990 40.843 -5.782 1139 H CYS 60 H CYS 60 4.017 34.428 -2.119 1140 HA CYS 60 HA CYS 60 5.709 36.369 -0.825 1141 1HB CYS 60 2HB CYS 60 4.592 34.651 0.527 1142 2HB CYS 60 3HB CYS 60 5.397 33.382 -0.374 1143 H ARG 61 H ARG 61 7.747 36.722 -1.431 1144 HA ARG 61 HA ARG 61 8.889 35.219 -3.637 1145 1HB ARG 61 2HB ARG 61 10.027 37.610 -2.179 1146 2HB ARG 61 3HB ARG 61 10.565 36.968 -3.725 1147 1HG ARG 61 2HG ARG 61 9.186 38.375 -4.727 1148 2HG ARG 61 3HG ARG 61 7.831 37.487 -4.027 1149 1HD ARG 61 2HD ARG 61 7.519 39.009 -2.353 1150 2HD ARG 61 3HD ARG 61 9.218 39.480 -2.318 1151 HE ARG 61 HE ARG 61 8.701 41.169 -3.753 1152 1HH1 ARG 61 2HH1 ARG 61 6.280 38.687 -4.062 1153 2HH1 ARG 61 1HH1 ARG 61 5.311 39.588 -5.181 1154 1HH2 ARG 61 2HH2 ARG 61 7.435 42.366 -5.225 1155 2HH2 ARG 61 1HH2 ARG 61 5.970 41.680 -5.842 1156 H LYS 62 H LYS 62 10.680 33.944 -3.552 1157 HA LYS 62 HA LYS 62 11.383 32.811 -1.032 1158 1HB LYS 62 2HB LYS 62 12.885 32.434 -3.619 1159 2HB LYS 62 3HB LYS 62 12.775 31.322 -2.261 1160 1HG LYS 62 2HG LYS 62 11.228 30.293 -3.499 1161 2HG LYS 62 3HG LYS 62 10.158 31.588 -2.955 1162 1HD LYS 62 2HD LYS 62 10.149 32.610 -4.976 1163 2HD LYS 62 3HD LYS 62 11.827 32.181 -5.320 1164 1HE LYS 62 2HE LYS 62 11.134 29.884 -5.805 1165 2HE LYS 62 3HE LYS 62 9.460 30.315 -5.461 1166 1HZ LYS 62 1HZ LYS 62 10.168 32.153 -7.297 1167 2HZ LYS 62 2HZ LYS 62 9.355 30.711 -7.643 1168 3HZ LYS 62 3HZ LYS 62 11.033 30.799 -7.826 1169 H ARG 63 H ARG 63 13.913 32.417 -0.731 1170 HA ARG 63 HA ARG 63 14.988 35.006 -0.102 1171 1HB ARG 63 2HB ARG 63 15.213 32.876 1.293 1172 2HB ARG 63 3HB ARG 63 16.437 32.375 0.134 1173 1HG ARG 63 2HG ARG 63 17.692 34.457 0.654 1174 2HG ARG 63 3HG ARG 63 16.514 34.791 1.924 1175 1HD ARG 63 2HD ARG 63 17.223 32.213 2.470 1176 2HD ARG 63 3HD ARG 63 18.735 32.882 1.862 1177 HE ARG 63 HE ARG 63 17.436 33.510 4.347 1178 1HH1 ARG 63 2HH1 ARG 63 19.645 34.642 1.905 1179 2HH1 ARG 63 1HH1 ARG 63 20.465 35.736 2.969 1180 1HH2 ARG 63 2HH2 ARG 63 18.508 34.947 5.758 1181 2HH2 ARG 63 1HH2 ARG 63 19.818 35.909 5.160 1182 H ASP 64 H ASP 64 15.284 35.952 -2.160 1183 HA ASP 64 HA ASP 64 17.577 34.864 -3.659 1184 1HB ASP 64 2HB ASP 64 16.564 36.103 -5.642 1185 2HB ASP 64 3HB ASP 64 15.710 34.660 -5.104 Start of MODEL 19 1 1H5* C 160 1H5* C 160 13.513 12.099 -18.242 2 2H5* C 160 2H5* C 160 13.505 13.430 -17.085 3 H4* C 160 H4* C 160 13.832 11.457 -15.835 4 H3* C 160 H3* C 160 16.369 13.045 -16.164 5 H2* C 160 H2* C 160 17.476 11.536 -14.694 6 2HO* C 160 2HO* C 160 15.241 9.883 -14.377 7 H1* C 160 H1* C 160 16.475 9.272 -16.039 8 1H4 C 160 1H4 C 160 22.317 10.148 -18.466 9 2H4 C 160 2H4 C 160 21.670 11.357 -19.552 10 H5 C 160 H5 C 160 19.436 12.123 -19.487 11 H6 C 160 H6 C 160 17.253 11.915 -18.353 12 1H5* U 161 1H5* U 161 15.763 12.928 -11.719 13 2H5* U 161 2H5* U 161 16.382 14.468 -11.124 14 H4* U 161 H4* U 161 17.494 12.498 -10.127 15 H3* U 161 H3* U 161 19.121 14.504 -11.674 16 H2* U 161 H2* U 161 21.104 13.364 -11.033 17 2HO* U 161 2HO* U 161 20.741 12.695 -8.984 18 H1* U 161 H1* U 161 20.072 10.838 -11.699 19 H3 U 161 H3 U 161 23.409 11.992 -14.669 20 H5 U 161 H5 U 161 19.863 13.546 -16.266 21 H6 U 161 H6 U 161 18.777 12.987 -14.139 22 1H5* G 162 1H5* G 162 20.857 14.631 -7.473 23 2H5* G 162 2H5* G 162 21.179 16.345 -7.209 24 H4* G 162 H4* G 162 23.163 14.991 -6.809 25 H3* G 162 H3* G 162 23.231 16.963 -9.073 26 H2* G 162 H2* G 162 25.525 16.449 -9.457 27 2HO* G 162 2HO* G 162 26.621 15.323 -7.833 28 H1* G 162 H1* G 162 25.079 13.695 -9.498 29 H8 G 162 H8 G 162 22.146 15.255 -11.116 30 H1 G 162 H1 G 162 27.301 14.971 -15.020 31 1H2 G 162 1H2 G 162 28.970 14.463 -13.920 32 2H2 G 162 2H2 G 162 28.972 14.159 -12.197 33 1H5* C 163 1H5* C 163 26.495 17.485 -6.740 34 2H5* C 163 2H5* C 163 26.859 19.130 -6.221 35 H4* C 163 H4* C 163 28.843 18.330 -7.170 36 H3* C 163 H3* C 163 27.371 20.164 -9.038 37 H2* C 163 H2* C 163 29.139 19.991 -10.619 38 2HO* C 163 2HO* C 163 30.792 18.245 -9.451 39 H1* C 163 H1* C 163 29.227 17.189 -10.449 40 1H4 C 163 1H4 C 163 25.517 18.343 -15.514 41 2H4 C 163 2H4 C 163 24.164 18.635 -14.445 42 H5 C 163 H5 C 163 24.332 18.677 -12.090 43 H6 C 163 H6 C 163 25.855 18.446 -10.160 44 1H5* C 164 1H5* C 164 31.297 21.726 -8.885 45 2H5* C 164 2H5* C 164 31.242 23.452 -8.524 46 H4* C 164 H4* C 164 32.558 23.208 -10.469 47 H3* C 164 H3* C 164 29.816 24.298 -11.008 48 H2* C 164 H2* C 164 30.319 24.511 -13.316 49 2HO* C 164 2HO* C 164 32.879 23.436 -13.137 50 H1* C 164 H1* C 164 31.427 21.914 -13.463 51 1H4 C 164 1H4 C 164 25.490 21.194 -15.682 52 2H4 C 164 2H4 C 164 24.874 21.237 -14.045 53 H5 C 164 H5 C 164 26.214 21.661 -12.148 54 H6 C 164 H6 C 164 28.497 22.152 -11.345 55 1H5* C 165 1H5* C 165 32.662 26.831 -12.719 56 2H5* C 165 2H5* C 165 32.298 28.555 -12.660 57 H4* C 165 H4* C 165 32.589 27.887 -14.945 58 H3* C 165 H3* C 165 29.767 28.589 -14.168 59 H2* C 165 H2* C 165 29.107 28.374 -16.439 60 2HO* C 165 2HO* C 165 30.832 29.208 -17.524 61 H1* C 165 H1* C 165 30.501 25.924 -16.739 62 1H4 C 165 1H4 C 165 24.397 24.273 -15.809 63 2H4 C 165 2H4 C 165 24.640 24.423 -14.082 64 H5 C 165 H5 C 165 26.630 25.231 -13.099 65 H6 C 165 H6 C 165 28.900 26.101 -13.535 66 1H5* U 166 1H5* U 166 30.806 31.697 -17.286 67 2H5* U 166 2H5* U 166 29.911 33.140 -16.807 68 H4* U 166 H4* U 166 29.369 32.322 -19.085 69 H3* U 166 H3* U 166 27.205 32.551 -17.007 70 H2* U 166 H2* U 166 25.585 32.009 -18.661 71 2HO* U 166 2HO* U 166 27.328 31.585 -20.749 72 H1* U 166 H1* U 166 27.066 29.810 -19.604 73 H3 U 166 H3 U 166 23.252 28.282 -17.524 74 H5 U 166 H5 U 166 26.112 28.688 -14.493 75 H6 U 166 H6 U 166 27.535 29.836 -16.126 76 1H5* C 167 1H5* C 167 26.054 34.798 -20.358 77 2H5* C 167 2H5* C 167 25.426 36.394 -19.952 78 H4* C 167 H4* C 167 23.802 35.372 -21.317 79 H3* C 167 H3* C 167 23.030 35.421 -18.417 80 H2* C 167 H2* C 167 20.928 34.444 -18.942 81 2HO* C 167 2HO* C 167 20.303 35.191 -20.885 82 H1* C 167 H1* C 167 22.091 32.446 -20.553 83 1H4 C 167 1H4 C 167 21.225 29.641 -14.882 84 2H4 C 167 2H4 C 167 22.704 30.376 -14.306 85 H5 C 167 H5 C 167 23.972 31.931 -15.552 86 H6 C 167 H6 C 167 24.135 33.175 -17.678 87 1H5* A 168 1H5* A 168 21.398 39.862 -17.479 88 2H5* A 168 2H5* A 168 22.569 39.268 -16.302 89 H4* A 168 H4* A 168 20.604 39.467 -15.080 90 H3* A 168 H3* A 168 21.001 36.612 -15.935 91 H2* A 168 H2* A 168 19.061 35.979 -14.731 92 2HO* A 168 2HO* A 168 18.124 37.675 -13.340 93 H1* A 168 H1* A 168 17.582 38.203 -15.726 94 H8 A 168 H8 A 168 19.759 35.663 -17.617 95 1H6 A 168 1H6 A 168 14.354 33.432 -19.798 96 2H6 A 168 2H6 A 168 16.092 33.245 -19.859 97 H2 A 168 H2 A 168 13.456 36.785 -17.025 98 1H5* U 169 1H5* U 169 25.147 36.215 -13.094 99 2H5* U 169 2H5* U 169 24.329 34.824 -12.382 100 H4* U 169 H4* U 169 24.216 36.374 -10.252 101 H3* U 169 H3* U 169 26.354 37.698 -11.903 102 H2* U 169 H2* U 169 27.619 38.092 -9.932 103 2HO* U 169 2HO* U 169 25.787 36.820 -8.245 104 H1* U 169 H1* U 169 27.293 35.460 -8.998 105 H3 U 169 H3 U 169 31.667 35.345 -10.062 106 H5 U 169 H5 U 169 29.788 35.680 -13.790 107 H6 U 169 H6 U 169 27.667 35.937 -12.587 108 1H5* C 170 1H5* C 170 23.990 39.550 -13.692 109 2H5* C 170 2H5* C 170 24.491 41.230 -13.884 110 H4* C 170 H4* C 170 22.330 41.190 -14.735 111 H3* C 170 H3* C 170 22.336 42.235 -11.921 112 H2* C 170 H2* C 170 19.993 42.599 -12.029 113 2HO* C 170 2HO* C 170 19.845 41.578 -14.657 114 H1* C 170 H1* C 170 19.508 40.045 -13.145 115 1H4 C 170 1H4 C 170 18.230 39.402 -6.918 116 2H4 C 170 2H4 C 170 19.936 39.170 -6.610 117 H5 C 170 H5 C 170 21.612 39.388 -8.259 118 H6 C 170 H6 C 170 22.068 39.887 -10.633 119 1H5* C 171 1H5* C 171 20.082 45.064 -13.892 120 2H5* C 171 2H5* C 171 20.724 46.682 -13.606 121 H4* C 171 H4* C 171 18.454 46.757 -12.987 122 H3* C 171 H3* C 171 20.314 46.681 -10.636 123 H2* C 171 H2* C 171 18.483 46.811 -9.133 124 2HO* C 171 2HO* C 171 16.414 47.335 -10.044 125 H1* C 171 H1* C 171 17.029 44.808 -10.493 126 1H4 C 171 1H4 C 171 19.819 41.798 -5.595 127 2H4 C 171 2H4 C 171 21.277 41.639 -6.549 128 H5 C 171 H5 C 171 21.568 42.615 -8.679 129 H6 C 171 H6 C 171 20.522 43.997 -10.438 130 1H5* G 172 1H5* G 172 17.665 50.136 -9.920 131 2H5* G 172 2H5* G 172 18.741 51.491 -9.585 132 H4* G 172 H4* G 172 17.119 51.438 -7.859 133 H3* G 172 H3* G 172 19.838 50.500 -7.003 134 H2* G 172 H2* G 172 19.064 50.260 -4.763 135 2HO* G 172 2HO* G 172 16.460 51.044 -5.600 136 H1* G 172 H1* G 172 16.823 48.778 -5.514 137 H8 G 172 H8 G 172 19.662 47.828 -7.723 138 H1 G 172 H1 G 172 19.818 44.890 -1.957 139 1H2 G 172 1H2 G 172 18.429 45.758 -0.705 140 2H2 G 172 2H2 G 172 17.378 47.084 -1.149 141 1H5* U 173 1H5* U 173 18.549 53.202 -4.054 142 2H5* U 173 2H5* U 173 19.792 54.424 -3.791 143 H4* U 173 H4* U 173 19.205 53.536 -1.672 144 H3* U 173 H3* U 173 21.890 52.625 -2.670 145 H2* U 173 H2* U 173 22.270 51.485 -0.623 146 2HO* U 173 2HO* U 173 19.718 52.418 0.267 147 H1* U 173 H1* U 173 19.712 50.298 -0.629 148 H3 U 173 H3 U 173 22.684 46.884 -1.236 149 H5 U 173 H5 U 173 22.276 48.628 -5.021 150 H6 U 173 H6 U 173 20.993 50.421 -3.948 151 1H5* C 174 1H5* C 174 22.471 54.071 1.077 152 2H5* C 174 2H5* C 174 23.791 55.228 1.249 153 H4* C 174 H4* C 174 24.244 53.576 2.832 154 H3* C 174 H3* C 174 25.918 53.165 0.363 155 H2* C 174 H2* C 174 27.047 51.381 1.445 156 2HO* C 174 2HO* C 174 25.843 51.244 3.817 157 H1* C 174 H1* C 174 24.619 50.260 2.397 158 1H4 C 174 1H4 C 174 26.067 46.726 -2.714 159 2H4 C 174 2H4 C 174 25.521 48.017 -3.760 160 H5 C 174 H5 C 174 24.823 50.135 -2.982 161 H6 C 174 H6 C 174 24.476 51.550 -0.989 162 1H5* U 175 1H5* U 175 28.968 56.535 -0.631 163 2H5* U 175 2H5* U 175 28.141 55.003 -0.913 164 H4* U 175 H4* U 175 29.994 53.756 -0.027 165 H3* U 175 H3* U 175 31.048 56.419 0.894 166 H2* U 175 H2* U 175 33.272 55.611 0.653 167 2HO* U 175 2HO* U 175 33.516 53.327 0.274 168 H1* U 175 H1* U 175 32.769 54.565 -1.913 169 H3 U 175 H3 U 175 35.622 58.065 -2.554 170 H5 U 175 H5 U 175 31.858 59.841 -2.094 171 H6 U 175 H6 U 175 31.001 57.629 -1.468 172 1H5* C 176 1H5* C 176 29.479 53.525 3.604 173 2H5* C 176 2H5* C 176 29.355 53.753 5.348 174 H4* C 176 H4* C 176 30.724 51.949 5.824 175 H3* C 176 H3* C 176 31.932 52.319 3.091 176 H2* C 176 H2* C 176 32.612 50.044 3.109 177 2HO* C 176 2HO* C 176 31.721 49.097 5.402 178 H1* C 176 H1* C 176 30.090 49.147 4.004 179 1H4 C 176 1H4 C 176 30.061 48.297 -2.336 180 2H4 C 176 2H4 C 176 29.507 49.945 -2.525 181 H5 C 176 H5 C 176 29.308 51.480 -0.741 182 H6 C 176 H6 C 176 29.596 51.813 1.689 183 1H5* G 177 1H5* G 177 35.698 50.828 5.493 184 2H5* G 177 2H5* G 177 36.853 51.971 4.810 185 H4* G 177 H4* G 177 37.609 49.658 4.582 186 H3* G 177 H3* G 177 37.070 51.244 2.088 187 H2* G 177 H2* G 177 37.884 49.437 0.764 188 2HO* G 177 2HO* G 177 38.296 47.694 2.882 189 H1* G 177 H1* G 177 36.294 47.546 2.060 190 H8 G 177 H8 G 177 34.294 50.650 1.814 191 H1 G 177 H1 G 177 34.448 47.316 -3.730 192 1H2 G 177 1H2 G 177 35.883 45.839 -3.606 193 2H2 G 177 2H2 G 177 36.893 45.548 -2.207 194 1H5* C 178 1H5* C 178 40.861 49.645 1.757 195 2H5* C 178 2H5* C 178 42.085 50.782 1.189 196 H4* C 178 H4* C 178 42.126 48.865 -0.230 197 H3* C 178 H3* C 178 40.991 51.343 -1.492 198 H2* C 178 H2* C 178 40.763 50.205 -3.560 199 2HO* C 178 2HO* C 178 42.515 48.906 -3.696 200 H1* C 178 H1* C 178 39.625 47.917 -2.328 201 1H4 C 178 1H4 C 178 34.647 51.132 -4.709 202 2H4 C 178 2H4 C 178 34.685 52.195 -3.320 203 H5 C 178 H5 C 178 36.354 52.118 -1.650 204 H6 C 178 H6 C 178 38.417 50.991 -0.894 205 1H5* U 179 1H5* U 179 44.633 50.403 -4.071 206 2H5* U 179 2H5* U 179 45.164 51.972 -4.676 207 H4* U 179 H4* U 179 44.541 50.309 -6.435 208 H3* U 179 H3* U 179 43.223 53.011 -6.306 209 H2* U 179 H2* U 179 42.089 52.541 -8.338 210 2HO* U 179 2HO* U 179 42.756 50.291 -9.230 211 H1* U 179 H1* U 179 41.288 49.980 -7.494 212 H3 U 179 H3 U 179 37.586 52.705 -7.797 213 H5 U 179 H5 U 179 39.117 53.293 -3.943 214 H6 U 179 H6 U 179 41.087 52.008 -4.638 215 1H5* U 180 1H5* U 180 44.633 52.558 -9.958 216 2H5* U 180 2H5* U 180 45.505 53.878 -10.737 217 H4* U 180 H4* U 180 43.664 53.324 -12.126 218 H3* U 180 H3* U 180 43.361 55.916 -10.649 219 H2* U 180 H2* U 180 41.267 56.310 -11.687 220 2HO* U 180 2HO* U 180 40.753 54.401 -13.291 221 H1* U 180 H1* U 180 40.395 53.643 -11.222 222 H3 U 180 H3 U 180 37.500 56.012 -8.680 223 H5 U 180 H5 U 180 41.132 56.358 -6.625 224 H6 U 180 H6 U 180 42.200 55.230 -8.522 225 1H5* A 181 1H5* A 181 45.180 57.845 -14.729 226 2H5* A 181 2H5* A 181 45.723 59.350 -13.989 227 H4* A 181 H4* A 181 43.796 59.527 -15.609 228 H3* A 181 H3* A 181 43.671 60.652 -12.820 229 H2* A 181 H2* A 181 41.562 61.621 -13.322 230 2HO* A 181 2HO* A 181 40.897 61.525 -15.587 231 H1* A 181 H1* A 181 40.551 59.265 -14.460 232 H8 A 181 H8 A 181 42.679 58.600 -11.439 233 1H6 A 181 1H6 A 181 37.473 59.251 -8.060 234 2H6 A 181 2H6 A 181 39.155 58.778 -7.993 235 H2 A 181 H2 A 181 36.572 60.445 -12.244 236 1H5* U 182 1H5* U 182 43.644 64.761 -11.794 237 2H5* U 182 2H5* U 182 44.527 63.928 -10.515 238 H4* U 182 H4* U 182 41.761 63.332 -11.563 239 H3* U 182 H3* U 182 42.845 64.401 -8.982 240 H2* U 182 H2* U 182 41.122 63.309 -7.763 241 2HO* U 182 2HO* U 182 39.401 63.530 -9.133 242 H1* U 182 H1* U 182 41.525 60.845 -8.963 243 H3 U 182 H3 U 182 43.308 60.517 -4.770 244 H5 U 182 H5 U 182 46.313 62.311 -7.069 245 H6 U 182 H6 U 182 44.673 62.506 -8.883 246 1H5* U 183 1H5* U 183 38.324 68.256 -8.349 247 2H5* U 183 2H5* U 183 39.956 68.358 -7.690 248 H4* U 183 H4* U 183 38.587 65.857 -7.010 249 H3* U 183 H3* U 183 37.231 68.450 -6.380 250 H2* U 183 H2* U 183 36.753 67.723 -4.168 251 2HO* U 183 2HO* U 183 37.765 65.372 -3.881 252 H1* U 183 H1* U 183 39.356 66.926 -3.635 253 H3 U 183 H3 U 183 39.316 70.780 -1.316 254 H5 U 183 H5 U 183 39.138 72.071 -5.296 255 H6 U 183 H6 U 183 38.955 69.715 -5.949 256 1H5* C 184 1H5* C 184 32.825 68.111 -5.086 257 2H5* C 184 2H5* C 184 33.777 68.309 -3.614 258 H4* C 184 H4* C 184 31.797 66.232 -4.346 259 H3* C 184 H3* C 184 32.535 67.795 -1.897 260 H2* C 184 H2* C 184 31.640 66.096 -0.496 261 2HO* C 184 2HO* C 184 30.989 64.421 -2.653 262 H1* C 184 H1* C 184 32.990 64.036 -1.817 263 1H4 C 184 1H4 C 184 36.721 65.735 3.107 264 2H4 C 184 2H4 C 184 37.562 66.829 2.032 265 H5 C 184 H5 C 184 36.888 67.270 -0.188 266 H6 C 184 H6 C 184 35.223 66.766 -1.940 267 1H5* G 185 1H5* G 185 27.523 69.705 -0.901 268 2H5* G 185 2H5* G 185 27.552 68.369 0.251 269 H4* G 185 H4* G 185 25.342 68.471 -0.504 270 H3* G 185 H3* G 185 26.871 66.256 -1.830 271 H2* G 185 H2* G 185 24.904 65.574 -2.990 272 2HO* G 185 2HO* G 185 23.126 67.428 -2.282 273 H1* G 185 H1* G 185 24.345 68.148 -3.909 274 H8 G 185 H8 G 185 28.032 67.691 -3.925 275 H1 G 185 H1 G 185 25.116 65.026 -9.052 276 1H2 G 185 1H2 G 185 23.076 65.012 -8.752 277 2H2 G 185 2H2 G 185 22.275 65.630 -7.327 278 1H5* G 186 1H5* G 186 28.298 63.295 1.490 279 2H5* G 186 2H5* G 186 28.402 63.233 -0.271 280 H4* G 186 H4* G 186 28.243 60.999 0.595 281 H3* G 186 H3* G 186 25.868 61.997 -0.940 282 H2* G 186 H2* G 186 24.807 59.875 -0.721 283 2HO* G 186 2HO* G 186 27.047 58.994 0.814 284 H1* G 186 H1* G 186 25.218 59.762 2.037 285 H8 G 186 H8 G 186 24.373 63.035 0.238 286 H1 G 186 H1 G 186 19.387 60.080 3.117 287 1H2 G 186 1H2 G 186 20.014 58.281 3.904 288 2H2 G 186 2H2 G 186 21.647 57.664 3.799 289 1H5* G 187 1H5* G 187 27.350 59.407 -5.007 290 2H5* G 187 2H5* G 187 28.861 60.143 -4.475 291 H4* G 187 H4* G 187 27.154 61.396 -6.621 292 H3* G 187 H3* G 187 29.005 59.065 -6.899 293 H2* G 187 H2* G 187 29.920 59.955 -8.912 294 2HO* G 187 2HO* G 187 28.403 62.317 -8.719 295 H1* G 187 H1* G 187 30.413 62.459 -7.785 296 H8 G 187 H8 G 187 31.121 60.054 -5.098 297 H1 G 187 H1 G 187 35.846 60.271 -9.516 298 1H2 G 187 1H2 G 187 35.192 61.309 -11.173 299 2H2 G 187 2H2 G 187 33.600 62.014 -11.341 300 1H5* G 188 1H5* G 188 27.990 59.859 -10.857 301 2H5* G 188 2H5* G 188 26.956 58.506 -11.318 302 H4* G 188 H4* G 188 28.422 58.676 -13.100 303 H3* G 188 H3* G 188 29.389 56.550 -11.207 304 H2* G 188 H2* G 188 31.167 56.035 -12.708 305 2HO* G 188 2HO* G 188 30.290 58.117 -14.438 306 H1* G 188 H1* G 188 31.942 58.708 -12.969 307 H8 G 188 H8 G 188 30.973 58.337 -9.445 308 H1 G 188 H1 G 188 36.765 55.732 -10.686 309 1H2 G 188 1H2 G 188 37.040 55.606 -12.726 310 2H2 G 188 2H2 G 188 35.876 56.128 -13.922 311 1H5* A 189 1H5* A 189 29.497 54.088 -15.082 312 2H5* A 189 2H5* A 189 28.819 52.607 -14.406 313 H4* A 189 H4* A 189 31.085 52.367 -15.434 314 H3* A 189 H3* A 189 30.581 51.571 -12.574 315 H2* A 189 H2* A 189 32.781 50.678 -12.459 316 2HO* A 189 2HO* A 189 33.947 50.526 -14.487 317 H1* A 189 H1* A 189 33.935 52.965 -13.627 318 H8 A 189 H8 A 189 31.212 53.826 -11.200 319 1H6 A 189 1H6 A 189 35.603 53.752 -6.766 320 2H6 A 189 2H6 A 189 33.934 54.156 -7.102 321 H2 A 189 H2 A 189 37.388 52.172 -10.515 322 1H5* G 190 1H5* G 190 32.227 48.169 -14.788 323 2H5* G 190 2H5* G 190 31.327 46.719 -14.345 324 H4* G 190 H4* G 190 33.665 46.265 -14.139 325 H3* G 190 H3* G 190 32.168 46.454 -11.540 326 H2* G 190 H2* G 190 34.137 45.812 -10.362 327 2HO* G 190 2HO* G 190 35.736 45.753 -12.656 328 H1* G 190 H1* G 190 35.732 47.704 -11.653 329 H8 G 190 H8 G 190 32.402 49.240 -11.116 330 H1 G 190 H1 G 190 36.093 49.289 -5.800 331 1H2 G 190 1H2 G 190 37.743 48.088 -6.095 332 2H2 G 190 2H2 G 190 38.076 47.199 -7.565 333 1H5* C 191 1H5* C 191 34.049 42.516 -11.485 334 2H5* C 191 2H5* C 191 33.014 41.405 -10.588 335 H4* C 191 H4* C 191 35.268 41.675 -9.608 336 H3* C 191 H3* C 191 32.839 42.392 -7.980 337 H2* C 191 H2* C 191 34.230 42.757 -6.092 338 2HO* C 191 2HO* C 191 36.672 42.298 -6.892 339 H1* C 191 H1* C 191 36.095 44.273 -7.577 340 1H4 C 191 1H4 C 191 32.364 48.552 -4.632 341 2H4 C 191 2H4 C 191 31.237 48.446 -5.965 342 H5 C 191 H5 C 191 31.446 46.907 -7.745 343 H6 C 191 H6 C 191 32.802 45.074 -8.692 344 1H5* G 192 1H5* G 192 34.718 39.057 -5.420 345 2H5* G 192 2H5* G 192 33.284 38.069 -5.142 346 H4* G 192 H4* G 192 34.343 38.554 -3.041 347 H3* G 192 H3* G 192 31.681 39.867 -3.507 348 H2* G 192 H2* G 192 31.724 40.740 -1.291 349 2HO* G 192 2HO* G 192 34.283 39.724 -0.755 350 H1* G 192 H1* G 192 34.301 41.776 -1.563 351 H8 G 192 H8 G 192 32.518 42.168 -4.805 352 H1 G 192 H1 G 192 31.012 46.753 -0.492 353 1H2 G 192 1H2 G 192 31.762 46.231 1.357 354 2H2 G 192 2H2 G 192 32.664 44.770 1.689 355 1H5* G 193 1H5* G 193 31.373 37.534 0.111 356 2H5* G 193 2H5* G 193 29.741 36.922 0.379 357 H4* G 193 H4* G 193 30.581 38.407 2.182 358 H3* G 193 H3* G 193 28.055 39.072 0.698 359 H2* G 193 H2* G 193 27.689 40.923 2.153 360 2HO* G 193 2HO* G 193 30.138 40.322 3.478 361 H1* G 193 H1* G 193 30.275 41.918 1.817 362 H8 G 193 H8 G 193 29.284 40.578 -1.471 363 H1 G 193 H1 G 193 26.576 46.319 -0.212 364 1H2 G 193 1H2 G 193 26.852 46.789 1.777 365 2H2 G 193 2H2 G 193 27.691 45.778 2.932 366 1H5* A 194 1H5* A 194 26.589 38.917 4.931 367 2H5* A 194 2H5* A 194 25.128 37.938 4.799 368 H4* A 194 H4* A 194 24.642 40.045 5.884 369 H3* A 194 H3* A 194 23.415 39.592 3.178 370 H2* A 194 H2* A 194 22.217 41.637 3.378 371 2HO* A 194 2HO* A 194 22.753 42.729 5.597 372 H1* A 194 H1* A 194 24.498 43.068 4.195 373 H8 A 194 H8 A 194 25.249 40.596 1.476 374 1H6 A 194 1H6 A 194 23.780 45.116 -2.569 375 2H6 A 194 2H6 A 194 24.454 43.508 -2.423 376 H2 A 194 H2 A 194 22.707 46.502 1.513 377 1H5* C 195 1H5* C 195 20.048 40.298 5.905 378 2H5* C 195 2H5* C 195 18.656 39.367 5.352 379 H4* C 195 H4* C 195 18.195 41.770 5.436 380 H3* C 195 H3* C 195 18.087 40.392 2.762 381 H2* C 195 H2* C 195 17.267 42.393 1.784 382 2HO* C 195 2HO* C 195 16.928 44.176 3.486 383 H1* C 195 H1* C 195 19.208 43.986 3.090 384 1H4 C 195 1H4 C 195 21.458 43.086 -2.826 385 2H4 C 195 2H4 C 195 22.145 41.563 -2.306 386 H5 C 195 H5 C 195 21.792 40.621 -0.170 387 H6 C 195 H6 C 195 20.681 40.909 2.016 388 1H5* G 196 1H5* G 196 13.868 42.032 3.422 389 2H5* G 196 2H5* G 196 12.851 40.696 2.885 390 H4* G 196 H4* G 196 12.178 42.736 1.790 391 H3* G 196 H3* G 196 13.407 40.615 0.060 392 H2* G 196 H2* G 196 13.010 41.943 -1.878 393 2HO* G 196 2HO* G 196 11.293 43.251 -1.657 394 H1* G 196 H1* G 196 14.169 44.223 -0.762 395 H8 G 196 H8 G 196 16.171 41.350 0.417 396 H1 G 196 H1 G 196 17.552 43.026 -5.680 397 1H2 G 196 1H2 G 196 16.129 44.350 -6.369 398 2H2 G 196 2H2 G 196 14.766 44.922 -5.435 399 1H5* A 197 1H5* A 197 11.550 38.380 -2.749 400 2H5* A 197 2H5* A 197 11.512 39.763 -3.843 401 H4* A 197 H4* A 197 9.057 38.282 -2.873 402 H3* A 197 H3* A 197 10.730 37.876 -5.349 403 H2* A 197 H2* A 197 8.777 37.302 -6.544 404 2HO* A 197 2HO* A 197 7.295 36.273 -5.330 405 H1* A 197 H1* A 197 7.282 39.406 -5.265 406 H8 A 197 H8 A 197 10.092 38.619 -7.684 407 1H6 A 197 1H6 A 197 7.860 43.307 -11.148 408 2H6 A 197 2H6 A 197 9.026 42.003 -11.109 409 H2 A 197 H2 A 197 5.640 43.242 -7.298 410 1H5* U 198 1H5* U 198 10.112 33.622 -2.138 411 2H5* U 198 2H5* U 198 11.680 34.404 -2.331 412 H4* U 198 H4* U 198 11.803 31.919 -3.706 413 H3* U 198 H3* U 198 10.096 31.708 -1.348 414 H2* U 198 H2* U 198 11.836 31.085 0.023 415 2HO* U 198 2HO* U 198 12.313 28.794 -0.529 416 H1* U 198 H1* U 198 13.419 30.460 -2.529 417 H3 U 198 H3 U 198 17.537 30.080 -0.832 418 H5 U 198 H5 U 198 15.414 31.794 2.345 419 H6 U 198 H6 U 198 13.461 31.876 0.866 420 1H5* G 199 1H5* G 199 7.612 31.505 -4.049 421 2H5* G 199 2H5* G 199 8.660 32.621 -3.172 422 H4* G 199 H4* G 199 6.624 33.719 -3.198 423 H3* G 199 H3* G 199 6.953 32.273 -0.585 424 H2* G 199 H2* G 199 4.891 33.187 0.178 425 2HO* G 199 2HO* G 199 4.012 34.532 -1.947 426 H1* G 199 H1* G 199 3.506 32.442 -2.127 427 H8 G 199 H8 G 199 6.207 30.145 -0.710 428 H1 G 199 H1 G 199 0.161 28.752 1.133 429 1H2 G 199 1H2 G 199 -1.126 30.197 0.421 430 2H2 G 199 2H2 G 199 -0.641 31.580 -0.533 431 1H5* A 200 1H5* A 200 8.766 36.727 1.798 432 2H5* A 200 2H5* A 200 10.291 36.642 0.915 433 H4* A 200 H4* A 200 10.404 36.341 3.426 434 H3* A 200 H3* A 200 11.646 34.406 1.487 435 H2* A 200 H2* A 200 12.596 33.209 3.305 436 2HO* A 200 2HO* A 200 11.559 34.665 5.370 437 H1* A 200 H1* A 200 10.199 33.136 4.750 438 H8 A 200 H8 A 200 9.336 32.675 1.184 439 1H6 A 200 1H6 A 200 10.750 26.636 1.872 440 2H6 A 200 2H6 A 200 10.020 27.807 0.797 441 H2 A 200 H2 A 200 12.119 28.806 5.500 442 1H5* C 201 1H5* C 201 16.810 35.775 3.583 443 2H5* C 201 2H5* C 201 16.028 34.425 2.762 444 H4* C 201 H4* C 201 14.458 35.871 4.843 445 H3* C 201 H3* C 201 16.858 34.152 5.475 446 H2* C 201 H2* C 201 15.732 33.380 7.406 447 2HO* C 201 2HO* C 201 13.471 34.633 7.537 448 H1* C 201 H1* C 201 13.259 33.126 5.983 449 1H4 C 201 1H4 C 201 15.284 27.110 6.559 450 2H4 C 201 2H4 C 201 16.551 27.416 5.392 451 H5 C 201 H5 C 201 16.982 29.536 4.444 452 H6 C 201 H6 C 201 16.298 31.908 4.383 453 1H5* C 202 1H5* C 202 16.087 36.727 8.925 454 2H5* C 202 2H5* C 202 17.550 37.009 9.869 455 H4* C 202 H4* C 202 15.789 35.927 11.182 456 H3* C 202 H3* C 202 18.349 34.401 10.725 457 H2* C 202 H2* C 202 17.588 32.731 12.221 458 2HO* C 202 2HO* C 202 15.800 33.266 13.574 459 H1* C 202 H1* C 202 14.972 32.748 11.080 460 1H4 C 202 1H4 C 202 17.877 27.516 8.806 461 2H4 C 202 2H4 C 202 18.523 28.487 7.502 462 H5 C 202 H5 C 202 18.287 30.833 7.368 463 H6 C 202 H6 C 202 17.364 32.845 8.461 464 1H5* C 203 1H5* C 203 18.491 35.249 15.311 465 2H5* C 203 2H5* C 203 20.220 35.152 15.641 466 H4* C 203 H4* C 203 18.806 33.517 16.895 467 H3* C 203 H3* C 203 21.082 32.593 15.155 468 H2* C 203 H2* C 203 20.755 30.372 15.947 469 2HO* C 203 2HO* C 203 18.678 30.527 17.552 470 H1* C 203 H1* C 203 17.981 30.464 15.507 471 1H4 C 203 1H4 C 203 20.426 27.664 10.302 472 2H4 C 203 2H4 C 203 20.678 29.249 9.602 473 H5 C 203 H5 C 203 20.307 31.273 10.760 474 H6 C 203 H6 C 203 19.596 32.287 12.896 475 1H5* U 204 1H5* U 204 21.250 31.336 18.974 476 2H5* U 204 2H5* U 204 22.758 31.175 19.875 477 H4* U 204 H4* U 204 21.549 29.085 19.889 478 H3* U 204 H3* U 204 24.139 29.130 18.366 479 H2* U 204 H2* U 204 23.943 26.792 17.967 480 2HO* U 204 2HO* U 204 22.314 25.663 19.150 481 H1* U 204 H1* U 204 21.312 26.985 17.060 482 H3 U 204 H3 U 204 24.196 26.116 13.547 483 H5 U 204 H5 U 204 23.882 30.285 13.800 484 H6 U 204 H6 U 204 22.713 29.968 15.933 485 1H5* A 205 1H5* A 205 25.895 27.519 22.508 486 2H5* A 205 2H5* A 205 27.608 27.842 22.239 487 H4* A 205 H4* A 205 26.818 25.419 22.120 488 H3* A 205 H3* A 205 28.553 26.729 20.041 489 H2* A 205 H2* A 205 28.757 24.650 18.913 490 2HO* A 205 2HO* A 205 28.378 22.822 20.109 491 H1* A 205 H1* A 205 26.013 24.116 18.995 492 H8 A 205 H8 A 205 26.290 27.733 18.387 493 1H6 A 205 1H6 A 205 27.284 26.437 12.363 494 2H6 A 205 2H6 A 205 26.938 27.722 13.498 495 H2 A 205 H2 A 205 27.555 22.645 14.664 496 1H5* G 206 1H5* G 206 30.589 24.710 18.112 497 2H5* G 206 2H5* G 206 32.171 24.728 18.891 498 H4* G 206 H4* G 206 30.985 26.861 17.106 499 H3* G 206 H3* G 206 33.029 24.731 16.684 500 H2* G 206 H2* G 206 34.413 26.189 15.403 501 2HO* G 206 2HO* G 206 33.290 28.516 15.427 502 H1* G 206 H1* G 206 34.376 28.201 17.333 503 H8 G 206 H8 G 206 34.422 24.731 18.802 504 H1 G 206 H1 G 206 40.285 27.127 17.474 505 1H2 G 206 1H2 G 206 40.086 28.888 16.418 506 2H2 G 206 2H2 G 206 38.558 29.608 15.962 507 1H5* U 207 1H5* U 207 30.110 24.779 12.303 508 2H5* U 207 2H5* U 207 31.366 24.448 11.110 509 H4* U 207 H4* U 207 29.716 26.316 10.594 510 H3* U 207 H3* U 207 32.702 26.625 10.391 511 H2* U 207 H2* U 207 32.406 28.808 9.502 512 2HO* U 207 2HO* U 207 30.188 29.406 8.955 513 H1* U 207 H1* U 207 30.571 29.567 11.473 514 H3 U 207 H3 U 207 34.089 31.977 12.891 515 H5 U 207 H5 U 207 35.359 28.031 13.483 516 H6 U 207 H6 U 207 33.284 27.304 12.398 517 1H5* A 208 1H5* A 208 32.978 26.595 5.031 518 2H5* A 208 2H5* A 208 31.371 26.254 4.391 519 H4* A 208 H4* A 208 32.880 24.641 3.501 520 H3* A 208 H3* A 208 30.911 23.621 5.499 521 H2* A 208 H2* A 208 31.786 21.412 5.353 522 2HO* A 208 2HO* A 208 33.864 22.092 3.621 523 H1* A 208 H1* A 208 34.430 22.252 5.713 524 H8 A 208 H8 A 208 31.458 23.777 7.592 525 1H6 A 208 1H6 A 208 33.316 20.243 12.389 526 2H6 A 208 2H6 A 208 32.157 21.452 11.885 527 H2 A 208 H2 A 208 35.937 19.357 8.913 528 1H5* G 209 1H5* G 209 29.528 21.499 2.755 529 2H5* G 209 2H5* G 209 27.790 21.201 2.773 530 H4* G 209 H4* G 209 29.112 19.693 4.246 531 H3* G 209 H3* G 209 26.893 21.387 5.356 532 H2* G 209 H2* G 209 27.171 20.354 7.485 533 2HO* G 209 2HO* G 209 29.089 18.685 7.347 534 H1* G 209 H1* G 209 29.934 20.769 7.511 535 H8 G 209 H8 G 209 28.353 23.729 5.929 536 H1 G 209 H1 G 209 28.023 23.833 12.392 537 1H2 G 209 1H2 G 209 28.579 21.993 13.139 538 2H2 G 209 2H2 G 209 29.062 20.625 12.160 539 1H5* A 210 1H5* A 210 26.583 17.652 7.433 540 2H5* A 210 2H5* A 210 24.944 17.124 7.054 541 H4* A 210 H4* A 210 25.216 17.022 9.414 542 H3* A 210 H3* A 210 23.477 19.299 8.491 543 H2* A 210 H2* A 210 22.971 19.805 10.756 544 2HO* A 210 2HO* A 210 24.566 17.850 11.888 545 H1* A 210 H1* A 210 25.656 19.665 11.567 546 H8 A 210 H8 A 210 25.228 21.283 8.204 547 1H6 A 210 1H6 A 210 24.583 26.678 11.277 548 2H6 A 210 2H6 A 210 24.759 25.962 9.690 549 H2 A 210 H2 A 210 24.608 23.377 14.252 550 1H5* G 211 1H5* G 211 21.610 16.894 11.485 551 2H5* G 211 2H5* G 211 19.881 16.683 11.208 552 H4* G 211 H4* G 211 20.320 17.493 13.458 553 H3* G 211 H3* G 211 18.819 19.309 11.594 554 H2* G 211 H2* G 211 18.481 20.851 13.378 555 2HO* G 211 2HO* G 211 19.761 19.838 15.424 556 H1* G 211 H1* G 211 21.177 20.857 14.108 557 H8 G 211 H8 G 211 21.187 20.657 10.439 558 H1 G 211 H1 G 211 19.805 26.608 12.574 559 1H2 G 211 1H2 G 211 19.407 26.540 14.596 560 2H2 G 211 2H2 G 211 19.444 25.086 15.568 561 1H5* G 212 1H5* G 212 15.955 18.914 15.151 562 2H5* G 212 2H5* G 212 14.472 18.502 14.292 563 H4* G 212 H4* G 212 14.063 20.335 15.800 564 H3* G 212 H3* G 212 13.925 20.966 12.867 565 H2* G 212 H2* G 212 13.212 23.182 13.377 566 2HO* G 212 2HO* G 212 12.700 23.620 15.612 567 H1* G 212 H1* G 212 15.278 23.608 15.204 568 H8 G 212 H8 G 212 16.524 21.552 12.348 569 H1 G 212 H1 G 212 16.442 27.905 11.112 570 1H2 G 212 1H2 G 212 15.420 28.885 12.611 571 2H2 G 212 2H2 G 212 14.693 28.103 13.996 572 1H5* G 213 1H5* G 213 9.827 21.869 14.572 573 2H5* G 213 2H5* G 213 8.664 21.648 13.265 574 H4* G 213 H4* G 213 8.681 23.925 14.289 575 H3* G 213 H3* G 213 9.097 23.528 11.339 576 H2* G 213 H2* G 213 9.100 25.890 11.025 577 2HO* G 213 2HO* G 213 8.895 26.465 13.753 578 H1* G 213 H1* G 213 10.966 26.328 13.055 579 H8 G 213 H8 G 213 12.033 23.201 11.443 580 H1 G 213 H1 G 213 13.512 28.419 7.911 581 1H2 G 213 1H2 G 213 12.524 30.064 8.666 582 2H2 G 213 2H2 G 213 11.454 30.035 10.049 583 1H5* G 214 1H5* G 214 7.662 26.509 9.763 584 2H5* G 214 2H5* G 214 6.289 25.843 8.878 585 H4* G 214 H4* G 214 7.952 26.683 7.340 586 H3* G 214 H3* G 214 7.512 23.712 7.368 587 H2* G 214 H2* G 214 9.011 23.473 5.532 588 2HO* G 214 2HO* G 214 8.292 25.446 4.561 589 H1* G 214 H1* G 214 11.013 24.989 6.742 590 H8 G 214 H8 G 214 9.321 23.034 9.404 591 H1 G 214 H1 G 214 13.619 19.551 6.045 592 1H2 G 214 1H2 G 214 14.209 20.610 4.377 593 2H2 G 214 2H2 G 214 13.627 22.203 3.950 594 1H5* G 215 1H5* G 215 6.634 24.904 3.207 595 2H5* G 215 2H5* G 215 5.314 23.886 2.629 596 H4* G 215 H4* G 215 7.416 23.755 1.288 597 H3* G 215 H3* G 215 6.179 21.291 2.491 598 H2* G 215 H2* G 215 7.783 19.950 1.348 599 2HO* G 215 2HO* G 215 9.349 21.497 0.048 600 H1* G 215 H1* G 215 9.937 21.525 2.207 601 H8 G 215 H8 G 215 7.673 21.352 5.089 602 H1 G 215 H1 G 215 10.993 15.860 4.249 603 1H2 G 215 1H2 G 215 11.903 15.881 2.399 604 2H2 G 215 2H2 G 215 11.783 17.191 1.246 605 1H5* C 216 1H5* C 216 4.124 21.077 -1.790 606 2H5* C 216 2H5* C 216 2.905 19.833 -1.511 607 H4* C 216 H4* C 216 5.060 19.203 -2.769 608 H3* C 216 H3* C 216 3.845 17.591 -0.533 609 H2* C 216 H2* C 216 5.466 15.899 -0.908 610 2HO* C 216 2HO* C 216 6.956 16.574 -2.853 611 H1* C 216 H1* C 216 7.600 17.723 -1.025 612 1H4 C 216 1H4 C 216 7.483 15.524 4.988 613 2H4 C 216 2H4 C 216 6.420 16.849 5.410 614 H5 C 216 H5 C 216 5.505 18.353 3.836 615 H6 C 216 H6 C 216 5.385 18.963 1.446 616 1H5* U 217 1H5* U 217 3.260 14.786 -3.972 617 2H5* U 217 2H5* U 217 1.909 13.744 -3.522 618 H4* U 217 H4* U 217 4.079 12.561 -3.725 619 H3* U 217 H3* U 217 2.566 12.510 -1.123 620 H2* U 217 H2* U 217 4.143 10.945 -0.263 621 2HO* U 217 2HO* U 217 5.576 9.973 -1.767 622 H1* U 217 H1* U 217 6.341 12.479 -1.096 623 H3 U 217 H3 U 217 6.277 12.722 3.465 624 H5 U 217 H5 U 217 3.457 15.549 2.204 625 H6 U 217 H6 U 217 3.728 14.662 -0.065 626 1H5* G 218 1H5* G 218 -0.409 8.375 -1.487 627 2H5* G 218 2H5* G 218 0.847 9.422 -0.826 628 H4* G 218 H4* G 218 1.240 6.860 -1.568 629 H3* G 218 H3* G 218 3.209 9.155 -1.532 630 H2* G 218 H2* G 218 4.898 7.626 -2.126 631 2HO* G 218 2HO* G 218 4.277 5.305 -1.934 632 H1* G 218 H1* G 218 3.122 6.216 -3.912 633 H8 G 218 H8 G 218 3.254 9.908 -4.456 634 H1 G 218 H1 G 218 7.961 6.677 -7.505 635 1H2 G 218 1H2 G 218 7.989 4.721 -6.852 636 2H2 G 218 2H2 G 218 6.899 4.055 -5.657 637 1H5* C 219 1H5* C 219 4.329 6.880 1.569 638 2H5* C 219 2H5* C 219 3.979 5.487 2.592 639 H4* C 219 H4* C 219 4.773 6.771 4.242 640 H3* C 219 H3* C 219 1.958 7.713 3.939 641 H2* C 219 H2* C 219 2.294 9.526 5.411 642 2HO* C 219 2HO* C 219 4.983 8.774 5.873 643 H1* C 219 H1* C 219 4.723 10.322 4.272 644 1H4 C 219 1H4 C 219 -0.059 13.720 1.592 645 2H4 C 219 2H4 C 219 0.255 12.798 0.138 646 H5 C 219 H5 C 219 1.724 10.952 0.042 647 H6 C 219 H6 C 219 3.271 9.522 1.329 648 1H5* G 220 1H5* G 220 4.577 3.818 6.299 649 2H5* G 220 2H5* G 220 4.955 5.481 5.852 650 H4* G 220 H4* G 220 6.274 3.063 5.094 651 H3* G 220 H3* G 220 6.784 6.000 4.577 652 H2* G 220 H2* G 220 8.587 5.371 3.206 653 2HO* G 220 2HO* G 220 9.558 3.380 3.622 654 H1* G 220 H1* G 220 7.113 3.068 2.226 655 H8 G 220 H8 G 220 6.836 3.512 -0.236 656 H1 G 220 H1 G 220 6.953 9.930 0.582 657 1H2 G 220 1H2 G 220 7.028 10.367 2.597 658 2H2 G 220 2H2 G 220 7.055 9.172 3.873 659 1H5* G 221 1H5* G 221 10.003 4.970 5.307 660 2H5* G 221 2H5* G 221 11.132 5.700 6.449 661 H4* G 221 H4* G 221 11.704 5.785 3.954 662 H3* G 221 H3* G 221 11.893 8.093 5.857 663 H2* G 221 H2* G 221 12.720 9.498 4.124 664 2HO* G 221 2HO* G 221 13.595 8.489 2.355 665 H1* G 221 H1* G 221 10.693 8.880 2.350 666 H8 G 221 H8 G 221 10.003 9.008 6.114 667 H1 G 221 H1 G 221 8.417 14.348 2.819 668 1H2 G 221 1H2 G 221 8.995 14.140 0.850 669 2H2 G 221 2H2 G 221 9.791 12.729 0.191 670 1H5* C 222 1H5* C 222 15.812 8.061 3.499 671 2H5* C 222 2H5* C 222 16.897 8.959 4.560 672 H4* C 222 H4* C 222 16.367 9.963 2.277 673 H3* C 222 H3* C 222 16.179 11.501 4.859 674 H2* C 222 H2* C 222 15.738 13.478 3.622 675 2HO* C 222 2HO* C 222 16.041 11.889 1.255 676 H1* C 222 H1* C 222 13.825 12.234 1.983 677 1H4 C 222 1H4 C 222 10.466 15.059 6.633 678 2H4 C 222 2H4 C 222 10.696 13.639 7.628 679 H5 C 222 H5 C 222 12.064 11.812 7.018 680 H6 C 222 H6 C 222 13.561 10.889 5.285 681 1H5* U 223 1H5* U 223 19.456 13.615 2.860 682 2H5* U 223 2H5* U 223 20.276 14.614 4.060 683 H4* U 223 H4* U 223 18.637 15.652 2.276 684 H3* U 223 H3* U 223 18.962 16.485 5.158 685 H2* U 223 H2* U 223 17.472 18.276 4.766 686 2HO* U 223 2HO* U 223 17.838 19.074 2.782 687 H1* U 223 H1* U 223 15.650 16.705 3.298 688 H3 U 223 H3 U 223 13.751 18.049 7.291 689 H5 U 223 H5 U 223 15.703 14.432 8.091 690 H6 U 223 H6 U 223 16.724 14.604 5.867 691 1H5* U 224 1H5* U 224 19.424 15.618 -0.130 692 2H5* U 224 2H5* U 224 19.564 17.240 -0.805 693 H4* U 224 H4* U 224 17.369 15.554 -0.958 694 H3* U 224 H3* U 224 17.669 18.520 -1.484 695 H2* U 224 H2* U 224 15.403 18.562 -2.104 696 2HO* U 224 2HO* U 224 14.929 15.842 -1.909 697 H1* U 224 H1* U 224 14.719 16.650 -0.036 698 H3 U 224 H3 U 224 11.961 20.144 0.863 699 H5 U 224 H5 U 224 15.757 21.531 1.961 700 H6 U 224 H6 U 224 16.680 19.483 0.977 701 1H5* A 225 1H5* A 225 18.557 17.265 -6.139 702 2H5* A 225 2H5* A 225 18.884 18.908 -6.689 703 H4* A 225 H4* A 225 16.695 17.754 -7.413 704 H3* A 225 H3* A 225 16.917 20.580 -6.401 705 H2* A 225 H2* A 225 14.607 20.906 -6.846 706 2HO* A 225 2HO* A 225 13.581 19.395 -8.202 707 H1* A 225 H1* A 225 13.833 18.521 -5.609 708 H8 A 225 H8 A 225 16.667 20.405 -3.943 709 1H6 A 225 1H6 A 225 12.258 23.141 -0.476 710 2H6 A 225 2H6 A 225 13.984 22.967 -0.694 711 H2 A 225 H2 A 225 10.253 20.693 -3.595 712 1H5* G 226 1H5* G 226 15.414 19.974 -10.242 713 2H5* G 226 2H5* G 226 15.507 21.160 -11.544 714 H4* G 226 H4* G 226 13.212 20.520 -11.171 715 H3* G 226 H3* G 226 13.973 23.341 -10.518 716 H2* G 226 H2* G 226 11.725 23.852 -9.917 717 2HO* G 226 2HO* G 226 10.944 22.428 -11.612 718 H1* G 226 H1* G 226 11.504 21.627 -8.233 719 H8 G 226 H8 G 226 14.922 22.860 -7.724 720 H1 G 226 H1 G 226 10.518 26.557 -4.753 721 1H2 G 226 1H2 G 226 8.634 26.060 -5.427 722 2H2 G 226 2H2 G 226 8.297 24.825 -6.620 723 1H5* G 227 1H5* G 227 11.530 24.545 -14.280 724 2H5* G 227 2H5* G 227 12.368 23.252 -15.139 725 H4* G 227 H4* G 227 11.711 25.151 -16.584 726 H3* G 227 H3* G 227 14.598 24.357 -16.342 727 H2* G 227 H2* G 227 15.180 25.966 -18.002 728 2HO* G 227 2HO* G 227 13.478 26.880 -19.210 729 H1* G 227 H1* G 227 13.780 28.025 -16.742 730 H8 G 227 H8 G 227 15.225 26.044 -14.004 731 H1 G 227 H1 G 227 19.622 29.796 -16.915 732 1H2 G 227 1H2 G 227 18.839 30.538 -18.672 733 2H2 G 227 2H2 G 227 17.230 30.194 -19.269 734 1H5* A 228 1H5* A 228 13.724 24.465 -20.599 735 2H5* A 228 2H5* A 228 14.390 22.996 -21.310 736 H4* A 228 H4* A 228 15.202 24.875 -22.542 737 H3* A 228 H3* A 228 17.238 23.453 -20.861 738 H2* A 228 H2* A 228 18.951 24.895 -21.667 739 2HO* A 228 2HO* A 228 18.480 26.147 -23.499 740 H1* A 228 H1* A 228 17.459 27.214 -21.159 741 H8 A 228 H8 A 228 16.890 24.788 -18.402 742 1H6 A 228 1H6 A 228 22.112 26.973 -15.772 743 2H6 A 228 2H6 A 228 20.711 25.958 -15.512 744 H2 A 228 H2 A 228 21.831 28.624 -19.888 745 1H5* G 229 1H5* G 229 18.752 23.770 -24.909 746 2H5* G 229 2H5* G 229 19.338 22.195 -25.443 747 H4* G 229 H4* G 229 21.025 23.799 -25.921 748 H3* G 229 H3* G 229 21.666 21.948 -23.650 749 H2* G 229 H2* G 229 23.823 22.936 -23.428 750 2HO* G 229 2HO* G 229 24.335 23.367 -25.534 751 H1* G 229 H1* G 229 22.815 25.537 -23.369 752 H8 G 229 H8 G 229 20.382 23.446 -21.542 753 H1 G 229 H1 G 229 25.625 24.835 -18.012 754 1H2 G 229 1H2 G 229 27.079 25.649 -19.228 755 2H2 G 229 2H2 G 229 26.903 25.915 -20.948 756 1H5* G 230 1H5* G 230 25.156 21.796 -26.596 757 2H5* G 230 2H5* G 230 25.643 20.102 -26.567 758 H4* G 230 H4* G 230 27.508 21.650 -26.138 759 H3* G 230 H3* G 230 26.741 19.634 -24.050 760 H2* G 230 H2* G 230 28.594 20.307 -22.710 761 2HO* G 230 2HO* G 230 30.229 21.394 -23.740 762 H1* G 230 H1* G 230 27.958 23.018 -22.892 763 H8 G 230 H8 G 230 24.722 21.280 -22.689 764 H1 G 230 H1 G 230 27.698 21.629 -16.953 765 1H2 G 230 1H2 G 230 29.652 22.232 -17.226 766 2H2 G 230 2H2 G 230 30.375 22.589 -18.779 767 1H5* G 231 1H5* G 231 31.235 18.804 -24.765 768 2H5* G 231 2H5* G 231 31.190 17.043 -24.853 769 H4* G 231 H4* G 231 32.846 17.824 -23.242 770 H3* G 231 H3* G 231 30.516 16.226 -22.222 771 H2* G 231 H2* G 231 31.465 16.232 -20.036 772 2HO* G 231 2HO* G 231 33.614 17.863 -20.848 773 H1* G 231 H1* G 231 31.875 18.993 -20.036 774 H8 G 231 H8 G 231 28.687 18.409 -21.811 775 H1 G 231 H1 G 231 28.080 18.002 -15.381 776 1H2 G 231 1H2 G 231 29.951 17.943 -14.514 777 2H2 G 231 2H2 G 231 31.460 17.997 -15.398 778 1H5* C 232 1H5* C 232 33.950 14.558 -20.868 779 2H5* C 232 2H5* C 232 34.110 12.804 -20.969 780 H4* C 232 H4* C 232 34.483 13.385 -18.714 781 H3* C 232 H3* C 232 31.794 12.141 -19.189 782 H2* C 232 H2* C 232 31.305 12.242 -16.870 783 2HO* C 232 2HO* C 232 33.038 12.294 -15.516 784 H1* C 232 H1* C 232 32.191 14.919 -16.651 785 1H4 C 232 1H4 C 232 25.828 15.292 -17.130 786 2H4 C 232 2H4 C 232 25.976 15.209 -18.871 787 H5 C 232 H5 C 232 28.015 14.832 -20.002 788 H6 C 232 H6 C 232 30.438 14.439 -19.738 789 1H5* A 233 1H5* A 233 33.784 9.513 -16.090 790 2H5* A 233 2H5* A 233 33.348 7.868 -16.553 791 H4* A 233 H4* A 233 32.756 8.285 -14.245 792 H3* A 233 H3* A 233 30.518 7.822 -16.183 793 H2* A 233 H2* A 233 28.920 7.975 -14.431 794 2HO* A 233 2HO* A 233 29.705 7.878 -12.287 795 H1* A 233 H1* A 233 30.024 10.341 -13.401 796 H8 A 233 H8 A 233 30.152 10.535 -17.098 797 1H6 A 233 1H6 A 233 24.229 12.496 -16.949 798 2H6 A 233 2H6 A 233 25.631 12.295 -17.976 799 H2 A 233 H2 A 233 25.317 11.051 -12.890 800 1H5* G 234 1H5* G 234 29.957 4.794 -12.887 801 2H5* G 234 2H5* G 234 29.549 3.295 -13.721 802 H4* G 234 H4* G 234 27.920 3.796 -11.995 803 H3* G 234 H3* G 234 26.974 3.862 -14.846 804 H2* G 234 H2* G 234 24.742 4.226 -14.096 805 2HO* G 234 2HO* G 234 24.914 2.871 -12.275 806 H1* G 234 H1* G 234 25.471 6.319 -12.401 807 H8 G 234 H8 G 234 27.606 6.643 -15.391 808 H1 G 234 H1 G 234 21.582 8.783 -16.393 809 1H2 G 234 1H2 G 234 20.373 8.197 -14.829 810 2H2 G 234 2H2 G 234 20.912 7.264 -13.450 811 1H GLY 15 1H GLY 15 5.482 -3.242 1.429 812 1HA GLY 15 1HA GLY 15 6.651 -3.183 -1.075 813 2HA GLY 15 2HA GLY 15 5.211 -2.275 -0.637 814 H ARG 16 H ARG 16 8.532 -2.117 -1.415 815 HA ARG 16 HA ARG 16 8.539 0.779 -0.864 816 1HB ARG 16 2HB ARG 16 10.507 -1.298 -0.316 817 2HB ARG 16 3HB ARG 16 11.188 0.034 -1.242 818 1HG ARG 16 2HG ARG 16 10.709 1.595 0.437 819 2HG ARG 16 3HG ARG 16 9.591 0.500 1.253 820 1HD ARG 16 2HD ARG 16 11.242 -0.578 2.343 821 2HD ARG 16 3HD ARG 16 12.338 -0.505 0.964 822 HE ARG 16 HE ARG 16 12.236 1.301 3.171 823 1HH1 ARG 16 2HH1 ARG 16 12.964 1.052 -0.225 824 2HH1 ARG 16 1HH1 ARG 16 14.065 2.391 -0.220 825 1HH2 ARG 16 2HH2 ARG 16 13.683 3.065 3.190 826 2HH2 ARG 16 1HH2 ARG 16 14.474 3.534 1.723 827 H ALA 17 H ALA 17 9.499 2.153 -2.421 828 HA ALA 17 HA ALA 17 10.270 1.040 -4.987 829 1HB ALA 17 1HB ALA 17 7.767 2.655 -4.607 830 2HB ALA 17 2HB ALA 17 8.609 2.586 -6.155 831 3HB ALA 17 3HB ALA 17 7.970 1.110 -5.434 832 H ARG 18 H ARG 18 11.292 2.788 -2.725 833 HA ARG 18 HA ARG 18 11.567 5.437 -3.465 834 1HB ARG 18 2HB ARG 18 12.863 3.618 -1.643 835 2HB ARG 18 3HB ARG 18 14.055 4.670 -2.393 836 1HG ARG 18 2HG ARG 18 11.741 6.172 -1.563 837 2HG ARG 18 3HG ARG 18 12.422 5.253 -0.220 838 1HD ARG 18 2HD ARG 18 14.208 6.837 -2.022 839 2HD ARG 18 3HD ARG 18 13.313 7.642 -0.733 840 HE ARG 18 HE ARG 18 14.693 5.380 0.269 841 1HH1 ARG 18 2HH1 ARG 18 15.193 8.649 -0.819 842 2HH1 ARG 18 1HH1 ARG 18 16.606 8.894 0.154 843 1HH2 ARG 18 2HH2 ARG 18 16.552 5.691 1.553 844 2HH2 ARG 18 1HH2 ARG 18 17.379 7.210 1.502 845 H GLY 19 H GLY 19 12.714 6.536 -4.950 846 1HA GLY 19 1HA GLY 19 14.550 6.903 -6.403 847 2HA GLY 19 2HA GLY 19 14.879 5.176 -6.381 848 H LEU 20 H LEU 20 11.914 4.711 -6.830 849 HA LEU 20 HA LEU 20 12.009 5.088 -9.742 850 1HB LEU 20 2HB LEU 20 11.041 2.966 -7.968 851 2HB LEU 20 3HB LEU 20 9.948 3.358 -9.293 852 HG LEU 20 HG LEU 20 12.689 3.026 -10.196 853 1HD1 LEU 20 1HD1 LEU 20 13.024 1.446 -8.496 854 2HD1 LEU 20 2HD1 LEU 20 12.567 0.501 -9.913 855 3HD1 LEU 20 3HD1 LEU 20 11.384 0.813 -8.643 856 1HD2 LEU 20 1HD2 LEU 20 11.500 1.381 -11.699 857 2HD2 LEU 20 2HD2 LEU 20 10.927 3.047 -11.773 858 3HD2 LEU 20 3HD2 LEU 20 10.010 1.837 -10.874 859 H CYS 21 H CYS 21 10.680 6.592 -10.689 860 HA CYS 21 HA CYS 21 8.807 7.956 -9.071 861 1HB CYS 21 2HB CYS 21 10.104 9.004 -10.935 862 2HB CYS 21 3HB CYS 21 9.153 8.084 -12.084 863 H TYR 22 H TYR 22 6.535 7.965 -9.366 864 HA TYR 22 HA TYR 22 5.438 5.506 -10.562 865 1HB TYR 22 2HB TYR 22 4.960 5.233 -8.321 866 2HB TYR 22 3HB TYR 22 4.801 6.962 -8.033 867 HD1 TYR 22 HD1 TYR 22 3.108 4.263 -9.995 868 HD2 TYR 22 HD2 TYR 22 2.682 7.775 -7.632 869 HE1 TYR 22 HE1 TYR 22 0.662 4.055 -10.138 870 HE2 TYR 22 HE2 TYR 22 0.234 7.576 -7.767 871 HH TYR 22 HH TYR 22 -1.460 5.961 -8.205 872 H THR 23 H THR 23 5.295 8.947 -10.436 873 HA THR 23 HA THR 23 2.703 9.335 -11.498 874 HB THR 23 HB THR 23 5.075 11.174 -11.847 875 HG1 THR 23 HG1 THR 23 3.449 10.604 -9.632 876 1HG2 THR 23 1HG2 THR 23 2.541 11.365 -12.886 877 2HG2 THR 23 2HG2 THR 23 3.632 12.720 -12.602 878 3HG2 THR 23 3HG2 THR 23 2.415 12.301 -11.397 879 H CYS 24 H CYS 24 5.961 9.054 -13.063 880 HA CYS 24 HA CYS 24 4.522 8.932 -15.611 881 1HB CYS 24 2HB CYS 24 6.587 9.630 -16.697 882 2HB CYS 24 3HB CYS 24 6.118 10.796 -15.476 883 H GLY 25 H GLY 25 6.933 7.520 -13.471 884 1HA GLY 25 1HA GLY 25 7.147 5.148 -13.212 885 2HA GLY 25 2HA GLY 25 6.659 4.958 -14.890 886 H SER 26 H SER 26 9.056 7.256 -13.733 887 HA SER 26 HA SER 26 11.051 5.895 -15.401 888 1HB SER 26 2HB SER 26 10.414 8.414 -15.636 889 2HB SER 26 3HB SER 26 11.436 8.629 -14.213 890 HG SER 26 HG SER 26 12.982 7.284 -15.601 891 HA PRO 27 HA PRO 27 12.832 4.472 -11.552 892 1HB PRO 27 2HB PRO 27 14.799 3.007 -12.716 893 2HB PRO 27 3HB PRO 27 13.125 2.450 -12.604 894 1HG PRO 27 2HG PRO 27 14.551 3.710 -14.915 895 2HG PRO 27 3HG PRO 27 13.439 2.329 -14.906 896 1HD PRO 27 2HD PRO 27 12.662 4.819 -15.633 897 2HD PRO 27 3HD PRO 27 11.569 3.674 -14.830 898 H GLY 28 H GLY 28 13.612 6.535 -10.889 899 1HA GLY 28 1HA GLY 28 16.345 6.789 -10.605 900 2HA GLY 28 2HA GLY 28 15.937 7.724 -12.036 901 H HIS 29 H HIS 29 13.456 8.737 -11.263 902 HA HIS 29 HA HIS 29 14.184 10.417 -8.953 903 1HB HIS 29 2HB HIS 29 13.143 12.310 -10.021 904 2HB HIS 29 3HB HIS 29 14.301 11.609 -11.148 905 HD1 HIS 29 HD1 HIS 29 13.438 11.126 -13.423 906 HD2 HIS 29 HD2 HIS 29 10.376 11.482 -10.638 907 HE1 HIS 29 HE1 HIS 29 11.306 10.995 -14.749 908 H TYR 30 H TYR 30 11.970 11.748 -8.411 909 HA TYR 30 HA TYR 30 9.836 9.738 -8.145 910 1HB TYR 30 2HB TYR 30 11.423 10.849 -6.056 911 2HB TYR 30 3HB TYR 30 9.789 11.481 -5.886 912 HD1 TYR 30 HD1 TYR 30 11.502 8.223 -6.556 913 HD2 TYR 30 HD2 TYR 30 8.305 10.254 -4.617 914 HE1 TYR 30 HE1 TYR 30 10.803 6.110 -5.507 915 HE2 TYR 30 HE2 TYR 30 7.598 8.147 -3.564 916 HH TYR 30 HH TYR 30 7.915 5.947 -3.453 917 H GLN 31 H GLN 31 7.785 10.916 -7.214 918 HA GLN 31 HA GLN 31 6.796 12.601 -9.170 919 1HB GLN 31 2HB GLN 31 4.899 12.950 -7.762 920 2HB GLN 31 3HB GLN 31 5.458 11.306 -7.484 921 1HG GLN 31 2HG GLN 31 5.083 11.992 -5.343 922 2HG GLN 31 3HG GLN 31 6.787 12.409 -5.522 923 1HE2 GLN 31 1HE2 GLN 31 6.905 14.091 -4.144 924 2HE2 GLN 31 2HE2 GLN 31 6.021 15.564 -4.325 925 H ALA 32 H ALA 32 8.347 13.415 -6.108 926 HA ALA 32 HA ALA 32 7.836 16.170 -6.109 927 1HB ALA 32 1HB ALA 32 10.096 16.167 -4.770 928 2HB ALA 32 2HB ALA 32 8.636 15.447 -4.088 929 3HB ALA 32 3HB ALA 32 9.869 14.418 -4.819 930 H GLN 33 H GLN 33 9.891 14.284 -8.086 931 HA GLN 33 HA GLN 33 11.068 16.741 -9.195 932 1HB GLN 33 2HB GLN 33 12.439 14.131 -8.581 933 2HB GLN 33 3HB GLN 33 13.092 15.271 -9.752 934 1HG GLN 33 2HG GLN 33 13.526 16.879 -8.131 935 2HG GLN 33 3HG GLN 33 12.431 16.137 -6.967 936 1HE2 GLN 33 1HE2 GLN 33 14.058 16.124 -5.397 937 2HE2 GLN 33 2HE2 GLN 33 15.355 14.983 -5.443 938 H CYS 34 H CYS 34 8.670 14.974 -9.952 939 HA CYS 34 HA CYS 34 9.540 13.650 -12.320 940 1HB CYS 34 2HB CYS 34 7.583 12.918 -10.921 941 2HB CYS 34 3HB CYS 34 6.708 14.334 -11.472 942 HA PRO 35 HA PRO 35 9.590 17.406 -14.730 943 1HB PRO 35 2HB PRO 35 9.993 16.201 -17.129 944 2HB PRO 35 3HB PRO 35 11.275 16.402 -15.927 945 1HG PRO 35 2HG PRO 35 9.595 13.996 -16.522 946 2HG PRO 35 3HG PRO 35 11.338 14.094 -16.205 947 1HD PRO 35 2HD PRO 35 9.554 13.328 -14.317 948 2HD PRO 35 3HD PRO 35 11.043 14.211 -13.922 949 H LYS 36 H LYS 36 7.309 14.873 -14.902 950 HA LYS 36 HA LYS 36 5.701 16.247 -16.928 951 1HB LYS 36 2HB LYS 36 5.459 13.526 -15.642 952 2HB LYS 36 3HB LYS 36 4.235 14.193 -16.714 953 1HG LYS 36 2HG LYS 36 6.410 14.510 -18.256 954 2HG LYS 36 3HG LYS 36 6.899 13.092 -17.326 955 1HD LYS 36 2HD LYS 36 5.680 11.850 -18.714 956 2HD LYS 36 3HD LYS 36 4.238 12.627 -18.055 957 1HE LYS 36 2HE LYS 36 3.883 13.294 -20.165 958 2HE LYS 36 3HE LYS 36 5.119 14.504 -19.822 959 1HZ LYS 36 1HZ LYS 36 6.567 13.515 -21.184 960 2HZ LYS 36 2HZ LYS 36 5.223 12.726 -21.841 961 3HZ LYS 36 3HZ LYS 36 6.167 11.954 -20.668 962 H LYS 37 H LYS 37 6.144 16.450 -13.707 963 HA LYS 37 HA LYS 37 3.362 16.613 -12.903 964 1HB LYS 37 2HB LYS 37 5.976 16.586 -11.561 965 2HB LYS 37 3HB LYS 37 4.801 17.667 -10.823 966 1HG LYS 37 2HG LYS 37 4.324 14.750 -11.396 967 2HG LYS 37 3HG LYS 37 4.814 15.409 -9.833 968 1HD LYS 37 2HD LYS 37 2.602 16.927 -10.626 969 2HD LYS 37 3HD LYS 37 2.191 15.256 -11.017 970 1HE LYS 37 2HE LYS 37 2.696 14.577 -8.742 971 2HE LYS 37 3HE LYS 37 3.195 16.219 -8.341 972 1HZ LYS 37 1HZ LYS 37 0.721 16.615 -9.294 973 2HZ LYS 37 2HZ LYS 37 1.089 16.422 -7.655 974 3HZ LYS 37 3HZ LYS 37 0.539 15.102 -8.560 975 H ARG 38 H ARG 38 5.893 18.720 -13.973 976 HA ARG 38 HA ARG 38 4.042 20.983 -13.789 977 1HB ARG 38 2HB ARG 38 6.473 20.681 -12.268 978 2HB ARG 38 3HB ARG 38 6.605 22.059 -13.352 979 1HG ARG 38 2HG ARG 38 5.695 23.071 -11.528 980 2HG ARG 38 3HG ARG 38 4.223 22.622 -12.391 981 1HD ARG 38 2HD ARG 38 3.561 21.399 -10.662 982 2HD ARG 38 3HD ARG 38 5.025 20.424 -10.773 983 HE ARG 38 HE ARG 38 5.469 22.909 -9.436 984 1HH1 ARG 38 2HH1 ARG 38 4.274 19.664 -9.031 985 2HH1 ARG 38 1HH1 ARG 38 4.595 19.618 -7.329 986 1HH2 ARG 38 2HH2 ARG 38 5.897 22.861 -7.195 987 2HH2 ARG 38 1HH2 ARG 38 5.517 21.438 -6.285 988 H LYS 39 H LYS 39 4.261 22.519 -15.409 989 HA LYS 39 HA LYS 39 6.414 22.331 -17.327 990 1HB LYS 39 2HB LYS 39 3.807 21.100 -17.805 991 2HB LYS 39 3HB LYS 39 4.253 22.259 -19.050 992 1HG LYS 39 2HG LYS 39 6.165 20.131 -18.167 993 2HG LYS 39 3HG LYS 39 4.914 19.803 -19.368 994 1HD LYS 39 2HD LYS 39 6.271 22.256 -19.999 995 2HD LYS 39 3HD LYS 39 7.442 20.952 -19.789 996 1HE LYS 39 2HE LYS 39 5.729 19.625 -21.281 997 2HE LYS 39 3HE LYS 39 5.253 21.245 -21.789 998 1HZ LYS 39 1HZ LYS 39 7.431 21.686 -22.561 999 2HZ LYS 39 2HZ LYS 39 7.002 20.171 -23.179 1000 3HZ LYS 39 3HZ LYS 39 8.055 20.279 -21.859 1001 H SER 40 H SER 40 6.206 24.006 -19.042 1002 HA SER 40 HA SER 40 4.306 26.119 -18.700 1003 1HB SER 40 2HB SER 40 6.034 27.857 -18.118 1004 2HB SER 40 3HB SER 40 5.677 26.720 -16.818 1005 HG SER 40 HG SER 40 7.797 26.584 -16.829 1006 H GLY 41 H GLY 41 4.111 25.469 -20.943 1007 1HA GLY 41 1HA GLY 41 6.297 26.498 -22.641 1008 2HA GLY 41 2HA GLY 41 5.170 25.241 -23.128 1009 H ASN 42 H ASN 42 4.800 28.496 -21.720 1010 HA ASN 42 HA ASN 42 3.794 29.723 -24.021 1011 1HB ASN 42 2HB ASN 42 1.952 27.923 -23.104 1012 2HB ASN 42 3HB ASN 42 1.441 29.395 -22.284 1013 1HD2 ASN 42 1HD2 ASN 42 -0.330 29.943 -23.387 1014 2HD2 ASN 42 2HD2 ASN 42 -0.383 30.247 -25.087 1015 H SER 43 H SER 43 3.517 31.896 -23.713 1016 HA SER 43 HA SER 43 4.119 32.877 -21.024 1017 1HB SER 43 2HB SER 43 4.034 35.032 -22.851 1018 2HB SER 43 3HB SER 43 5.463 34.277 -22.144 1019 HG SER 43 HG SER 43 4.873 34.311 -24.646 1020 H ARG 44 H ARG 44 2.475 33.444 -19.777 1021 HA ARG 44 HA ARG 44 0.255 34.951 -20.953 1022 1HB ARG 44 2HB ARG 44 0.072 32.397 -19.401 1023 2HB ARG 44 3HB ARG 44 -1.211 33.591 -19.254 1024 1HG ARG 44 2HG ARG 44 -0.792 33.347 -21.990 1025 2HG ARG 44 3HG ARG 44 -0.682 31.700 -21.367 1026 1HD ARG 44 2HD ARG 44 -2.966 32.123 -21.925 1027 2HD ARG 44 3HD ARG 44 -2.834 32.090 -20.168 1028 HE ARG 44 HE ARG 44 -2.559 34.737 -20.971 1029 1HH1 ARG 44 2HH1 ARG 44 -4.977 32.234 -21.030 1030 2HH1 ARG 44 1HH1 ARG 44 -6.310 33.340 -20.956 1031 1HH2 ARG 44 2HH2 ARG 44 -4.304 36.202 -20.873 1032 2HH2 ARG 44 1HH2 ARG 44 -5.925 35.596 -20.868 1033 H GLU 45 H GLU 45 2.010 36.413 -19.797 1034 HA GLU 45 HA GLU 45 2.479 37.873 -18.116 1035 1HB GLU 45 2HB GLU 45 -0.317 37.660 -18.285 1036 2HB GLU 45 3HB GLU 45 0.056 37.612 -16.568 1037 1HG GLU 45 2HG GLU 45 0.132 39.824 -16.633 1038 2HG GLU 45 3HG GLU 45 1.637 39.664 -17.534 1039 H ARG 46 H ARG 46 3.004 34.985 -17.737 1040 HA ARG 46 HA ARG 46 2.818 34.760 -14.817 1041 1HB ARG 46 2HB ARG 46 2.113 32.900 -16.531 1042 2HB ARG 46 3HB ARG 46 3.839 32.565 -16.575 1043 1HG ARG 46 2HG ARG 46 3.898 31.919 -14.342 1044 2HG ARG 46 3HG ARG 46 2.366 32.713 -13.975 1045 1HD ARG 46 2HD ARG 46 2.295 30.579 -16.019 1046 2HD ARG 46 3HD ARG 46 2.607 30.069 -14.359 1047 HE ARG 46 HE ARG 46 0.404 31.826 -14.419 1048 1HH1 ARG 46 2HH1 ARG 46 1.311 28.586 -15.309 1049 2HH1 ARG 46 1HH1 ARG 46 -0.292 27.950 -15.139 1050 1HH2 ARG 46 2HH2 ARG 46 -1.711 31.003 -14.192 1051 2HH2 ARG 46 1HH2 ARG 46 -2.011 29.326 -14.505 1052 H CYS 47 H CYS 47 4.844 33.535 -13.789 1053 HA CYS 47 HA CYS 47 7.224 34.757 -14.985 1054 1HB CYS 47 2HB CYS 47 6.525 35.985 -12.958 1055 2HB CYS 47 3HB CYS 47 6.601 34.505 -12.024 1056 H GLN 48 H GLN 48 8.554 33.202 -15.623 1057 HA GLN 48 HA GLN 48 8.319 30.503 -14.531 1058 1HB GLN 48 2HB GLN 48 8.692 31.469 -17.106 1059 2HB GLN 48 3HB GLN 48 10.279 30.860 -16.655 1060 1HG GLN 48 2HG GLN 48 8.566 28.869 -15.819 1061 2HG GLN 48 3HG GLN 48 7.856 29.422 -17.336 1062 1HE2 GLN 48 1HE2 GLN 48 10.104 27.406 -15.950 1063 2HE2 GLN 48 2HE2 GLN 48 11.049 27.047 -17.351 1064 H LEU 49 H LEU 49 9.584 32.691 -13.030 1065 HA LEU 49 HA LEU 49 12.253 31.488 -12.718 1066 1HB LEU 49 2HB LEU 49 11.611 34.160 -13.386 1067 2HB LEU 49 3HB LEU 49 12.224 34.165 -11.733 1068 HG LEU 49 HG LEU 49 13.824 32.655 -13.703 1069 1HD1 LEU 49 1HD1 LEU 49 13.431 34.428 -15.161 1070 2HD1 LEU 49 2HD1 LEU 49 14.926 34.881 -14.345 1071 3HD1 LEU 49 3HD1 LEU 49 13.400 35.618 -13.860 1072 1HD2 LEU 49 1HD2 LEU 49 15.651 33.613 -12.445 1073 2HD2 LEU 49 2HD2 LEU 49 14.459 32.934 -11.336 1074 3HD2 LEU 49 3HD2 LEU 49 14.541 34.679 -11.585 1075 H CYS 50 H CYS 50 9.434 33.060 -11.135 1076 HA CYS 50 HA CYS 50 10.379 31.824 -8.656 1077 1HB CYS 50 2HB CYS 50 9.826 33.696 -7.350 1078 2HB CYS 50 3HB CYS 50 10.690 34.362 -8.722 1079 H ASN 51 H ASN 51 8.434 31.375 -11.013 1080 HA ASN 51 HA ASN 51 6.388 30.450 -11.370 1081 1HB ASN 51 2HB ASN 51 6.161 29.990 -8.403 1082 2HB ASN 51 3HB ASN 51 5.528 29.004 -9.718 1083 1HD2 ASN 51 1HD2 ASN 51 6.766 27.435 -10.580 1084 2HD2 ASN 51 2HD2 ASN 51 8.369 27.060 -10.053 1085 H GLY 52 H GLY 52 6.710 33.328 -10.454 1086 1HA GLY 52 1HA GLY 52 4.426 34.058 -8.953 1087 2HA GLY 52 2HA GLY 52 5.366 35.129 -9.981 1088 H MET 53 H MET 53 2.550 35.225 -9.683 1089 HA MET 53 HA MET 53 1.722 34.498 -12.415 1090 1HB MET 53 2HB MET 53 0.096 34.414 -9.871 1091 2HB MET 53 3HB MET 53 -0.609 34.301 -11.478 1092 1HG MET 53 2HG MET 53 1.172 32.356 -11.715 1093 2HG MET 53 3HG MET 53 0.996 32.328 -9.962 1094 1HE MET 53 1HE MET 53 -0.507 29.907 -9.519 1095 2HE MET 53 2HE MET 53 -0.642 31.470 -8.716 1096 3HE MET 53 3HE MET 53 -2.097 30.609 -9.220 1097 H GLY 54 H GLY 54 1.996 36.448 -13.400 1098 1HA GLY 54 1HA GLY 54 0.203 38.354 -13.656 1099 2HA GLY 54 2HA GLY 54 0.905 38.845 -12.122 1100 H HIS 55 H HIS 55 3.502 38.657 -12.330 1101 HA HIS 55 HA HIS 55 4.158 40.606 -14.379 1102 1HB HIS 55 2HB HIS 55 6.322 40.775 -13.197 1103 2HB HIS 55 3HB HIS 55 4.954 41.013 -12.113 1104 HD1 HIS 55 HD1 HIS 55 4.319 38.838 -10.624 1105 HD2 HIS 55 HD2 HIS 55 8.075 38.854 -12.398 1106 HE1 HIS 55 HE1 HIS 55 5.653 37.102 -9.388 1107 H ASN 56 H ASN 56 6.721 40.191 -15.011 1108 HA ASN 56 HA ASN 56 6.732 37.543 -16.304 1109 1HB ASN 56 2HB ASN 56 6.823 40.130 -17.481 1110 2HB ASN 56 3HB ASN 56 8.401 39.385 -17.718 1111 1HD2 ASN 56 1HD2 ASN 56 6.446 40.008 -19.714 1112 2HD2 ASN 56 2HD2 ASN 56 6.001 38.519 -20.470 1113 H ALA 57 H ALA 57 8.760 36.517 -16.587 1114 HA ALA 57 HA ALA 57 10.488 36.635 -14.405 1115 1HB ALA 57 1HB ALA 57 10.205 35.050 -16.721 1116 2HB ALA 57 2HB ALA 57 11.886 35.578 -16.655 1117 3HB ALA 57 3HB ALA 57 11.178 34.721 -15.286 1118 H LYS 58 H LYS 58 10.687 38.185 -17.563 1119 HA LYS 58 HA LYS 58 13.328 39.122 -17.383 1120 1HB LYS 58 2HB LYS 58 10.947 39.729 -19.019 1121 2HB LYS 58 3HB LYS 58 12.117 41.036 -18.887 1122 1HG LYS 58 2HG LYS 58 13.030 38.284 -19.600 1123 2HG LYS 58 3HG LYS 58 12.303 39.326 -20.825 1124 1HD LYS 58 2HD LYS 58 14.116 40.648 -20.941 1125 2HD LYS 58 3HD LYS 58 14.346 40.644 -19.190 1126 1HE LYS 58 2HE LYS 58 15.705 38.808 -19.236 1127 2HE LYS 58 3HE LYS 58 14.942 38.144 -20.680 1128 1HZ LYS 58 1HZ LYS 58 17.030 38.836 -21.390 1129 2HZ LYS 58 2HZ LYS 58 16.983 40.270 -20.493 1130 3HZ LYS 58 3HZ LYS 58 16.017 40.104 -21.873 1131 H GLN 59 H GLN 59 10.434 40.148 -15.830 1132 HA GLN 59 HA GLN 59 11.818 42.548 -14.829 1133 1HB GLN 59 2HB GLN 59 9.550 42.647 -16.216 1134 2HB GLN 59 3HB GLN 59 8.855 42.314 -14.636 1135 1HG GLN 59 2HG GLN 59 8.834 44.573 -14.559 1136 2HG GLN 59 3HG GLN 59 10.455 44.297 -13.924 1137 1HE2 GLN 59 1HE2 GLN 59 11.098 46.356 -14.608 1138 2HE2 GLN 59 2HE2 GLN 59 11.425 46.698 -16.269 1139 H CYS 60 H CYS 60 11.603 39.549 -13.865 1140 HA CYS 60 HA CYS 60 10.261 39.949 -11.348 1141 1HB CYS 60 2HB CYS 60 10.036 37.797 -12.511 1142 2HB CYS 60 3HB CYS 60 11.769 37.550 -12.440 1143 H ARG 61 H ARG 61 11.312 40.200 -9.422 1144 HA ARG 61 HA ARG 61 12.925 40.891 -7.972 1145 1HB ARG 61 2HB ARG 61 13.731 38.468 -9.024 1146 2HB ARG 61 3HB ARG 61 15.149 39.484 -9.246 1147 1HG ARG 61 2HG ARG 61 15.608 39.537 -7.055 1148 2HG ARG 61 3HG ARG 61 13.910 39.692 -6.599 1149 1HD ARG 61 2HD ARG 61 14.290 37.599 -5.801 1150 2HD ARG 61 3HD ARG 61 13.860 37.176 -7.457 1151 HE ARG 61 HE ARG 61 16.579 37.552 -7.484 1152 1HH1 ARG 61 2HH1 ARG 61 14.346 35.500 -5.774 1153 2HH1 ARG 61 1HH1 ARG 61 15.477 34.201 -5.590 1154 1HH2 ARG 61 2HH2 ARG 61 18.077 35.847 -7.249 1155 2HH2 ARG 61 1HH2 ARG 61 17.599 34.400 -6.430 1156 H LYS 62 H LYS 62 12.535 42.376 -10.498 1157 HA LYS 62 HA LYS 62 15.069 43.854 -10.444 1158 1HB LYS 62 2HB LYS 62 14.699 42.290 -12.510 1159 2HB LYS 62 3HB LYS 62 13.584 43.547 -13.029 1160 1HG LYS 62 2HG LYS 62 15.449 45.188 -12.811 1161 2HG LYS 62 3HG LYS 62 16.532 43.829 -12.502 1162 1HD LYS 62 2HD LYS 62 15.628 42.873 -14.711 1163 2HD LYS 62 3HD LYS 62 15.026 44.506 -15.009 1164 1HE LYS 62 2HE LYS 62 17.566 45.051 -14.283 1165 2HE LYS 62 3HE LYS 62 17.785 43.464 -15.018 1166 1HZ LYS 62 1HZ LYS 62 16.111 45.150 -16.598 1167 2HZ LYS 62 2HZ LYS 62 17.515 44.316 -17.036 1168 3HZ LYS 62 3HZ LYS 62 17.627 45.853 -16.337 1169 H ARG 63 H ARG 63 14.884 46.088 -11.076 1170 HA ARG 63 HA ARG 63 12.161 47.135 -10.673 1171 1HB ARG 63 2HB ARG 63 14.137 47.617 -9.014 1172 2HB ARG 63 3HB ARG 63 14.616 48.790 -10.233 1173 1HG ARG 63 2HG ARG 63 12.529 49.955 -10.016 1174 2HG ARG 63 3HG ARG 63 11.905 48.712 -8.930 1175 1HD ARG 63 2HD ARG 63 12.618 50.070 -7.296 1176 2HD ARG 63 3HD ARG 63 14.215 49.428 -7.678 1177 HE ARG 63 HE ARG 63 13.772 51.585 -9.369 1178 1HH1 ARG 63 2HH1 ARG 63 14.094 50.986 -5.955 1179 2HH1 ARG 63 1HH1 ARG 63 14.746 52.553 -5.609 1180 1HH2 ARG 63 2HH2 ARG 63 14.629 53.651 -8.926 1181 2HH2 ARG 63 1HH2 ARG 63 15.049 54.070 -7.300 1182 H ASP 64 H ASP 64 15.240 47.941 -12.280 1183 HA ASP 64 HA ASP 64 13.680 49.009 -14.533 1184 1HB ASP 64 2HB ASP 64 16.097 50.281 -13.237 1185 2HB ASP 64 3HB ASP 64 15.436 50.782 -14.791 Start of MODEL 20 1 1H5* C 160 1H5* C 160 13.263 12.579 -17.061 2 2H5* C 160 2H5* C 160 13.827 13.974 -16.142 3 H4* C 160 H4* C 160 14.140 11.840 -14.953 4 H3* C 160 H3* C 160 16.584 13.471 -15.641 5 H2* C 160 H2* C 160 17.888 11.991 -14.332 6 2HO* C 160 2HO* C 160 16.834 10.907 -12.718 7 H1* C 160 H1* C 160 16.553 9.700 -15.391 8 1H4 C 160 1H4 C 160 22.229 9.955 -18.338 9 2H4 C 160 2H4 C 160 21.527 11.037 -19.521 10 H5 C 160 H5 C 160 19.342 11.918 -19.366 11 H6 C 160 H6 C 160 17.270 11.980 -18.024 12 1H5* U 161 1H5* U 161 16.330 13.289 -11.197 13 2H5* U 161 2H5* U 161 16.964 14.801 -10.549 14 H4* U 161 H4* U 161 18.110 12.834 -9.639 15 H3* U 161 H3* U 161 19.698 14.823 -11.241 16 H2* U 161 H2* U 161 21.694 13.637 -10.717 17 2HO* U 161 2HO* U 161 20.968 11.576 -9.304 18 H1* U 161 H1* U 161 20.593 11.155 -11.419 19 H3 U 161 H3 U 161 23.785 12.385 -14.517 20 H5 U 161 H5 U 161 20.176 14.016 -15.875 21 H6 U 161 H6 U 161 19.196 13.394 -13.715 22 1H5* G 162 1H5* G 162 21.659 14.260 -7.467 23 2H5* G 162 2H5* G 162 21.866 15.834 -6.699 24 H4* G 162 H4* G 162 23.947 14.795 -6.503 25 H3* G 162 H3* G 162 23.910 16.810 -8.720 26 H2* G 162 H2* G 162 26.206 16.384 -9.190 27 2HO* G 162 2HO* G 162 27.390 15.421 -7.586 28 H1* G 162 H1* G 162 25.848 13.619 -9.306 29 H8 G 162 H8 G 162 22.863 15.346 -10.742 30 H1 G 162 H1 G 162 27.770 14.764 -14.922 31 1H2 G 162 1H2 G 162 29.455 14.121 -13.921 32 2H2 G 162 2H2 G 162 29.527 13.789 -12.206 33 1H5* C 163 1H5* C 163 27.320 17.296 -6.526 34 2H5* C 163 2H5* C 163 27.673 18.953 -6.041 35 H4* C 163 H4* C 163 29.615 18.130 -7.097 36 H3* C 163 H3* C 163 28.062 20.059 -8.790 37 H2* C 163 H2* C 163 29.698 19.920 -10.503 38 2HO* C 163 2HO* C 163 31.712 19.386 -9.833 39 H1* C 163 H1* C 163 29.795 17.098 -10.383 40 1H4 C 163 1H4 C 163 25.938 18.327 -15.316 41 2H4 C 163 2H4 C 163 24.631 18.667 -14.204 42 H5 C 163 H5 C 163 24.880 18.715 -11.856 43 H6 C 163 H6 C 163 26.462 18.445 -9.978 44 1H5* C 164 1H5* C 164 31.996 21.413 -8.722 45 2H5* C 164 2H5* C 164 32.147 23.139 -8.394 46 H4* C 164 H4* C 164 33.318 22.746 -10.398 47 H3* C 164 H3* C 164 30.645 24.041 -10.866 48 H2* C 164 H2* C 164 31.141 24.216 -13.184 49 2HO* C 164 2HO* C 164 33.402 23.438 -13.738 50 H1* C 164 H1* C 164 32.028 21.540 -13.338 51 1H4 C 164 1H4 C 164 26.004 21.293 -15.423 52 2H4 C 164 2H4 C 164 25.430 21.390 -13.772 53 H5 C 164 H5 C 164 26.842 21.710 -11.905 54 H6 C 164 H6 C 164 29.174 22.017 -11.156 55 1H5* C 165 1H5* C 165 33.614 26.679 -12.592 56 2H5* C 165 2H5* C 165 33.125 28.366 -12.446 57 H4* C 165 H4* C 165 33.463 27.727 -14.773 58 H3* C 165 H3* C 165 30.684 28.501 -13.921 59 H2* C 165 H2* C 165 29.953 28.341 -16.173 60 2HO* C 165 2HO* C 165 31.663 28.045 -17.789 61 H1* C 165 H1* C 165 31.272 25.865 -16.569 62 1H4 C 165 1H4 C 165 25.160 24.353 -15.468 63 2H4 C 165 2H4 C 165 25.468 24.449 -13.749 64 H5 C 165 H5 C 165 27.513 25.175 -12.816 65 H6 C 165 H6 C 165 29.789 25.998 -13.310 66 1H5* U 166 1H5* U 166 31.792 30.816 -17.234 67 2H5* U 166 2H5* U 166 31.475 32.537 -17.007 68 H4* U 166 H4* U 166 30.525 31.910 -19.087 69 H3* U 166 H3* U 166 28.499 32.384 -16.920 70 H2* U 166 H2* U 166 26.739 32.041 -18.482 71 2HO* U 166 2HO* U 166 27.617 31.598 -20.767 72 H1* U 166 H1* U 166 27.862 29.672 -19.477 73 H3 U 166 H3 U 166 24.099 28.525 -17.125 74 H5 U 166 H5 U 166 27.130 28.845 -14.254 75 H6 U 166 H6 U 166 28.558 29.789 -16.009 76 1H5* C 167 1H5* C 167 27.359 34.816 -20.038 77 2H5* C 167 2H5* C 167 26.734 36.397 -19.569 78 H4* C 167 H4* C 167 25.041 35.170 -20.765 79 H3* C 167 H3* C 167 24.502 35.598 -17.830 80 H2* C 167 H2* C 167 22.341 34.678 -18.118 81 2HO* C 167 2HO* C 167 22.101 35.796 -20.150 82 H1* C 167 H1* C 167 23.362 32.574 -19.778 83 1H4 C 167 1H4 C 167 22.102 29.808 -14.158 84 2H4 C 167 2H4 C 167 23.616 30.424 -13.535 85 H5 C 167 H5 C 167 25.034 31.888 -14.730 86 H6 C 167 H6 C 167 25.349 33.134 -16.839 87 1H5* A 168 1H5* A 168 21.300 40.455 -18.729 88 2H5* A 168 2H5* A 168 22.105 39.925 -17.252 89 H4* A 168 H4* A 168 19.783 39.841 -16.831 90 H3* A 168 H3* A 168 20.915 37.082 -17.320 91 H2* A 168 H2* A 168 18.841 36.174 -16.708 92 2HO* A 168 2HO* A 168 18.162 38.834 -15.848 93 H1* A 168 H1* A 168 17.440 38.410 -17.953 94 H8 A 168 H8 A 168 19.844 36.025 -19.713 95 1H6 A 168 1H6 A 168 14.719 33.233 -21.925 96 2H6 A 168 2H6 A 168 16.467 33.247 -21.994 97 H2 A 168 H2 A 168 13.457 36.406 -19.083 98 1H5* U 169 1H5* U 169 24.088 37.541 -14.520 99 2H5* U 169 2H5* U 169 23.756 35.946 -13.844 100 H4* U 169 H4* U 169 23.618 37.511 -11.608 101 H3* U 169 H3* U 169 25.539 38.854 -13.501 102 H2* U 169 H2* U 169 27.002 39.281 -11.710 103 2HO* U 169 2HO* U 169 26.094 39.033 -9.542 104 H1* U 169 H1* U 169 26.390 36.687 -10.542 105 H3 U 169 H3 U 169 30.873 36.308 -10.751 106 H5 U 169 H5 U 169 29.754 36.654 -14.772 107 H6 U 169 H6 U 169 27.464 37.058 -13.997 108 1H5* C 170 1H5* C 170 23.283 40.775 -15.221 109 2H5* C 170 2H5* C 170 23.044 42.519 -15.326 110 H4* C 170 H4* C 170 20.994 41.550 -15.944 111 H3* C 170 H3* C 170 20.952 42.662 -13.156 112 H2* C 170 H2* C 170 18.662 42.080 -12.931 113 2HO* C 170 2HO* C 170 18.045 42.619 -15.033 114 H1* C 170 H1* C 170 19.106 39.487 -14.021 115 1H4 C 170 1H4 C 170 18.734 38.570 -7.712 116 2H4 C 170 2H4 C 170 20.393 39.098 -7.550 117 H5 C 170 H5 C 170 21.683 39.950 -9.335 118 H6 C 170 H6 C 170 21.698 40.509 -11.741 119 1H5* C 171 1H5* C 171 19.271 45.288 -16.444 120 2H5* C 171 2H5* C 171 19.297 47.048 -16.344 121 H4* C 171 H4* C 171 17.104 46.367 -15.792 122 H3* C 171 H3* C 171 18.692 47.185 -13.364 123 H2* C 171 H2* C 171 16.736 46.967 -12.047 124 2HO* C 171 2HO* C 171 14.978 46.175 -13.976 125 H1* C 171 H1* C 171 16.036 44.510 -13.342 126 1H4 C 171 1H4 C 171 18.270 42.843 -7.588 127 2H4 C 171 2H4 C 171 19.899 42.942 -8.219 128 H5 C 171 H5 C 171 20.425 43.722 -10.385 129 H6 C 171 H6 C 171 19.509 44.607 -12.500 130 1H5* G 172 1H5* G 172 15.414 50.991 -13.366 131 2H5* G 172 2H5* G 172 16.708 52.015 -12.745 132 H4* G 172 H4* G 172 14.630 52.000 -11.367 133 H3* G 172 H3* G 172 17.294 51.268 -10.183 134 H2* G 172 H2* G 172 16.289 51.112 -8.029 135 2HO* G 172 2HO* G 172 13.906 51.679 -8.042 136 H1* G 172 H1* G 172 14.214 49.475 -8.926 137 H8 G 172 H8 G 172 17.245 48.466 -10.788 138 H1 G 172 H1 G 172 17.106 46.108 -4.762 139 1H2 G 172 1H2 G 172 15.605 47.034 -3.695 140 2H2 G 172 2H2 G 172 14.542 48.268 -4.336 141 1H5* U 173 1H5* U 173 15.846 54.402 -7.649 142 2H5* U 173 2H5* U 173 17.092 55.646 -7.542 143 H4* U 173 H4* U 173 16.489 55.126 -5.326 144 H3* U 173 H3* U 173 19.129 53.947 -6.131 145 H2* U 173 H2* U 173 19.432 53.072 -3.943 146 2HO* U 173 2HO* U 173 18.352 54.116 -2.345 147 H1* U 173 H1* U 173 16.840 51.982 -3.849 148 H3 U 173 H3 U 173 19.667 48.406 -4.028 149 H5 U 173 H5 U 173 19.398 49.740 -7.989 150 H6 U 173 H6 U 173 18.171 51.688 -7.145 151 1H5* C 174 1H5* C 174 19.618 55.874 -2.597 152 2H5* C 174 2H5* C 174 21.019 56.935 -2.448 153 H4* C 174 H4* C 174 21.134 55.413 -0.650 154 H3* C 174 H3* C 174 23.097 54.789 -2.839 155 H2* C 174 H2* C 174 23.995 53.019 -1.542 156 2HO* C 174 2HO* C 174 22.851 52.908 0.702 157 H1* C 174 H1* C 174 21.408 52.066 -0.833 158 1H4 C 174 1H4 C 174 23.375 48.120 -5.450 159 2H4 C 174 2H4 C 174 22.952 49.323 -6.647 160 H5 C 174 H5 C 174 22.204 51.501 -6.116 161 H6 C 174 H6 C 174 21.672 53.073 -4.288 162 1H5* U 175 1H5* U 175 26.111 58.731 -2.918 163 2H5* U 175 2H5* U 175 25.894 57.404 -4.060 164 H4* U 175 H4* U 175 27.853 56.265 -2.889 165 H3* U 175 H3* U 175 27.991 58.946 -1.533 166 H2* U 175 H2* U 175 30.304 58.983 -1.732 167 2HO* U 175 2HO* U 175 30.643 56.353 -2.546 168 H1* U 175 H1* U 175 30.115 57.370 -4.210 169 H3 U 175 H3 U 175 33.150 60.324 -5.726 170 H5 U 175 H5 U 175 29.913 62.757 -4.655 171 H6 U 175 H6 U 175 28.827 60.748 -3.762 172 1H5* C 176 1H5* C 176 26.765 55.485 0.227 173 2H5* C 176 2H5* C 176 25.840 55.749 1.706 174 H4* C 176 H4* C 176 27.319 54.197 2.911 175 H3* C 176 H3* C 176 28.829 54.124 0.327 176 H2* C 176 H2* C 176 29.291 51.811 0.603 177 2HO* C 176 2HO* C 176 28.675 50.881 2.690 178 H1* C 176 H1* C 176 26.604 51.215 1.255 179 1H4 C 176 1H4 C 176 27.307 49.730 -4.933 180 2H4 C 176 2H4 C 176 26.849 51.369 -5.339 181 H5 C 176 H5 C 176 26.517 53.074 -3.740 182 H6 C 176 H6 C 176 26.541 53.634 -1.335 183 1H5* G 177 1H5* G 177 32.191 52.472 3.390 184 2H5* G 177 2H5* G 177 33.470 53.455 2.678 185 H4* G 177 H4* G 177 34.034 51.054 2.823 186 H3* G 177 H3* G 177 33.987 52.427 0.151 187 H2* G 177 H2* G 177 34.809 50.443 -0.879 188 2HO* G 177 2HO* G 177 35.857 49.021 0.438 189 H1* G 177 H1* G 177 32.894 48.815 0.331 190 H8 G 177 H8 G 177 31.226 52.019 -0.467 191 H1 G 177 H1 G 177 31.855 48.162 -5.625 192 1H2 G 177 1H2 G 177 33.125 46.603 -5.170 193 2H2 G 177 2H2 G 177 33.904 46.375 -3.620 194 1H5* C 178 1H5* C 178 37.766 50.628 0.327 195 2H5* C 178 2H5* C 178 39.031 51.791 -0.072 196 H4* C 178 H4* C 178 39.317 49.904 -1.486 197 H3* C 178 H3* C 178 38.250 52.344 -2.867 198 H2* C 178 H2* C 178 38.261 51.213 -4.952 199 2HO* C 178 2HO* C 178 39.286 49.056 -4.934 200 H1* C 178 H1* C 178 37.047 48.898 -3.837 201 1H4 C 178 1H4 C 178 32.247 51.942 -6.736 202 2H4 C 178 2H4 C 178 32.177 53.086 -5.413 203 H5 C 178 H5 C 178 33.709 53.113 -3.615 204 H6 C 178 H6 C 178 35.703 52.038 -2.633 205 1H5* U 179 1H5* U 179 41.814 51.136 -4.963 206 2H5* U 179 2H5* U 179 42.704 52.507 -5.626 207 H4* U 179 H4* U 179 42.021 50.941 -7.368 208 H3* U 179 H3* U 179 40.860 53.716 -7.438 209 H2* U 179 H2* U 179 39.818 53.222 -9.508 210 2HO* U 179 2HO* U 179 40.584 51.420 -10.659 211 H1* U 179 H1* U 179 38.909 50.690 -8.592 212 H3 U 179 H3 U 179 35.272 53.368 -9.513 213 H5 U 179 H5 U 179 36.389 54.272 -5.580 214 H6 U 179 H6 U 179 38.416 52.944 -5.955 215 1H5* U 180 1H5* U 180 42.542 52.892 -10.955 216 2H5* U 180 2H5* U 180 43.505 54.114 -11.787 217 H4* U 180 H4* U 180 41.764 53.458 -13.258 218 H3* U 180 H3* U 180 41.407 56.187 -12.065 219 H2* U 180 H2* U 180 39.417 56.512 -13.307 220 2HO* U 180 2HO* U 180 39.215 55.331 -15.161 221 H1* U 180 H1* U 180 38.456 53.906 -12.677 222 H3 U 180 H3 U 180 35.395 56.591 -10.689 223 H5 U 180 H5 U 180 38.798 56.992 -8.280 224 H6 U 180 H6 U 180 40.016 55.678 -9.954 225 1H5* A 181 1H5* A 181 43.663 57.714 -16.125 226 2H5* A 181 2H5* A 181 44.166 59.261 -15.443 227 H4* A 181 H4* A 181 42.441 59.349 -17.284 228 H3* A 181 H3* A 181 42.049 60.704 -14.626 229 H2* A 181 H2* A 181 40.035 61.673 -15.430 230 2HO* A 181 2HO* A 181 39.613 61.420 -17.733 231 H1* A 181 H1* A 181 39.070 59.257 -16.466 232 H8 A 181 H8 A 181 40.879 58.780 -13.212 233 1H6 A 181 1H6 A 181 35.401 59.839 -10.413 234 2H6 A 181 2H6 A 181 37.053 59.328 -10.148 235 H2 A 181 H2 A 181 34.942 60.717 -14.744 236 1H5* U 182 1H5* U 182 40.253 63.688 -16.226 237 2H5* U 182 2H5* U 182 40.358 64.215 -17.905 238 H4* U 182 H4* U 182 41.253 65.920 -15.575 239 H3* U 182 H3* U 182 38.512 65.648 -16.788 240 H2* U 182 H2* U 182 38.210 67.939 -16.734 241 2HO* U 182 2HO* U 182 40.374 68.416 -15.003 242 H1* U 182 H1* U 182 41.163 68.319 -16.868 243 H3 U 182 H3 U 182 39.493 71.744 -19.412 244 H5 U 182 H5 U 182 38.960 68.298 -21.732 245 H6 U 182 H6 U 182 39.621 66.992 -19.764 246 1H5* U 183 1H5* U 183 34.864 66.122 -13.959 247 2H5* U 183 2H5* U 183 34.961 67.877 -14.114 248 H4* U 183 H4* U 183 35.243 66.151 -11.710 249 H3* U 183 H3* U 183 33.890 68.751 -12.384 250 H2* U 183 H2* U 183 34.070 69.470 -10.187 251 2HO* U 183 2HO* U 183 34.718 67.397 -8.738 252 H1* U 183 H1* U 183 36.525 67.835 -9.858 253 H3 U 183 H3 U 183 36.433 72.982 -11.258 254 H5 U 183 H5 U 183 38.676 71.473 -8.060 255 H6 U 183 H6 U 183 37.750 69.263 -8.582 256 1H5* C 184 1H5* C 184 29.131 68.082 -9.719 257 2H5* C 184 2H5* C 184 30.523 69.027 -9.191 258 H4* C 184 H4* C 184 29.182 66.706 -7.888 259 H3* C 184 H3* C 184 30.238 69.385 -6.996 260 H2* C 184 H2* C 184 30.592 68.555 -4.868 261 2HO* C 184 2HO* C 184 29.177 66.784 -4.196 262 H1* C 184 H1* C 184 30.845 65.807 -5.995 263 1H4 C 184 1H4 C 184 36.138 66.396 -2.489 264 2H4 C 184 2H4 C 184 36.714 67.650 -3.565 265 H5 C 184 H5 C 184 35.454 68.527 -5.358 266 H6 C 184 H6 C 184 33.308 68.415 -6.575 267 1H5* G 185 1H5* G 185 25.591 70.783 -3.786 268 2H5* G 185 2H5* G 185 26.720 71.906 -4.543 269 H4* G 185 H4* G 185 28.202 69.644 -3.624 270 H3* G 185 H3* G 185 26.119 70.572 -1.683 271 H2* G 185 H2* G 185 27.693 70.492 0.104 272 2HO* G 185 2HO* G 185 29.772 69.767 -1.674 273 H1* G 185 H1* G 185 29.603 71.978 -1.284 274 H8 G 185 H8 G 185 29.144 73.454 0.818 275 H1 G 185 H1 G 185 23.405 75.218 -1.598 276 1H2 G 185 1H2 G 185 22.952 74.038 -3.228 277 2H2 G 185 2H2 G 185 23.974 72.761 -3.847 278 1H5* G 186 1H5* G 186 26.425 66.152 -3.919 279 2H5* G 186 2H5* G 186 26.297 66.922 -5.500 280 H4* G 186 H4* G 186 24.183 65.539 -3.882 281 H3* G 186 H3* G 186 25.342 65.230 -6.626 282 H2* G 186 H2* G 186 23.262 64.417 -7.456 283 2HO* G 186 2HO* G 186 21.616 64.613 -5.404 284 H1* G 186 H1* G 186 21.807 66.544 -6.382 285 H8 G 186 H8 G 186 24.892 65.841 -8.477 286 H1 G 186 H1 G 186 21.135 70.616 -10.708 287 1H2 G 186 1H2 G 186 19.652 71.023 -9.335 288 2H2 G 186 2H2 G 186 19.455 70.195 -7.807 289 1H5* G 187 1H5* G 187 24.830 60.687 -8.337 290 2H5* G 187 2H5* G 187 26.520 60.921 -7.894 291 H4* G 187 H4* G 187 25.042 62.308 -10.140 292 H3* G 187 H3* G 187 26.859 59.944 -10.075 293 H2* G 187 H2* G 187 27.989 60.649 -12.052 294 2HO* G 187 2HO* G 187 26.983 62.946 -12.707 295 H1* G 187 H1* G 187 28.449 63.222 -11.077 296 H8 G 187 H8 G 187 28.823 61.021 -8.158 297 H1 G 187 H1 G 187 33.952 60.778 -12.098 298 1H2 G 187 1H2 G 187 33.491 61.696 -13.885 299 2H2 G 187 2H2 G 187 31.946 62.424 -14.261 300 1H5* G 188 1H5* G 188 26.277 60.427 -14.191 301 2H5* G 188 2H5* G 188 25.249 59.060 -14.621 302 H4* G 188 H4* G 188 26.889 59.019 -16.252 303 H3* G 188 H3* G 188 27.594 57.070 -14.075 304 H2* G 188 H2* G 188 29.493 56.366 -15.332 305 2HO* G 188 2HO* G 188 29.531 57.879 -17.461 306 H1* G 188 H1* G 188 30.376 58.982 -15.770 307 H8 G 188 H8 G 188 29.053 58.982 -12.342 308 H1 G 188 H1 G 188 34.857 56.145 -12.738 309 1H2 G 188 1H2 G 188 35.328 55.812 -14.718 310 2H2 G 188 2H2 G 188 34.303 56.240 -16.070 311 1H5* A 189 1H5* A 189 28.026 54.190 -17.749 312 2H5* A 189 2H5* A 189 27.299 52.811 -16.925 313 H4* A 189 H4* A 189 29.659 52.506 -17.771 314 H3* A 189 H3* A 189 28.877 51.935 -14.920 315 H2* A 189 H2* A 189 31.051 51.065 -14.521 316 2HO* A 189 2HO* A 189 32.437 50.912 -16.493 317 H1* A 189 H1* A 189 32.332 53.242 -15.754 318 H8 A 189 H8 A 189 29.405 54.403 -13.752 319 1H6 A 189 1H6 A 189 33.231 54.560 -8.823 320 2H6 A 189 2H6 A 189 31.637 55.002 -9.396 321 H2 A 189 H2 A 189 35.357 52.556 -12.170 322 1H5* G 190 1H5* G 190 30.600 48.334 -16.772 323 2H5* G 190 2H5* G 190 29.671 46.921 -16.270 324 H4* G 190 H4* G 190 32.002 46.502 -15.899 325 H3* G 190 H3* G 190 30.332 46.836 -13.426 326 H2* G 190 H2* G 190 32.220 46.301 -12.075 327 2HO* G 190 2HO* G 190 33.338 44.814 -13.226 328 H1* G 190 H1* G 190 33.881 48.130 -13.371 329 H8 G 190 H8 G 190 30.524 49.674 -13.181 330 H1 G 190 H1 G 190 33.777 50.046 -7.599 331 1H2 G 190 1H2 G 190 35.443 48.833 -7.691 332 2H2 G 190 2H2 G 190 35.890 47.860 -9.074 333 1H5* C 191 1H5* C 191 32.132 42.865 -12.948 334 2H5* C 191 2H5* C 191 30.924 41.818 -12.203 335 H4* C 191 H4* C 191 32.966 41.942 -10.871 336 H3* C 191 H3* C 191 30.422 43.007 -9.675 337 H2* C 191 H2* C 191 31.548 43.409 -7.624 338 2HO* C 191 2HO* C 191 33.666 42.481 -7.394 339 H1* C 191 H1* C 191 33.746 44.641 -8.897 340 1H4 C 191 1H4 C 191 30.029 49.452 -6.920 341 2H4 C 191 2H4 C 191 29.092 49.300 -8.390 342 H5 C 191 H5 C 191 29.412 47.586 -9.983 343 H6 C 191 H6 C 191 30.722 45.576 -10.564 344 1H5* G 192 1H5* G 192 32.001 40.426 -6.655 345 2H5* G 192 2H5* G 192 30.782 39.170 -6.426 346 H4* G 192 H4* G 192 31.292 39.851 -4.265 347 H3* G 192 H3* G 192 28.768 41.171 -5.213 348 H2* G 192 H2* G 192 28.502 42.207 -3.083 349 2HO* G 192 2HO* G 192 30.948 40.948 -2.296 350 H1* G 192 H1* G 192 31.116 43.182 -3.040 351 H8 G 192 H8 G 192 29.765 43.315 -6.519 352 H1 G 192 H1 G 192 27.975 48.341 -2.855 353 1H2 G 192 1H2 G 192 28.487 47.978 -0.891 354 2H2 G 192 2H2 G 192 29.283 46.528 -0.322 355 1H5* G 193 1H5* G 193 28.377 39.409 -1.582 356 2H5* G 193 2H5* G 193 26.905 38.537 -1.158 357 H4* G 193 H4* G 193 27.314 40.197 0.509 358 H3* G 193 H3* G 193 24.970 40.735 -1.286 359 H2* G 193 H2* G 193 24.429 42.678 -0.017 360 2HO* G 193 2HO* G 193 25.983 43.016 1.874 361 H1* G 193 H1* G 193 27.029 43.685 -0.133 362 H8 G 193 H8 G 193 26.381 42.081 -3.397 363 H1 G 193 H1 G 193 23.621 47.914 -2.885 364 1H2 G 193 1H2 G 193 23.700 48.542 -0.922 365 2H2 G 193 2H2 G 193 24.408 47.625 0.389 366 1H5* A 194 1H5* A 194 23.672 41.338 2.608 367 2H5* A 194 2H5* A 194 22.357 40.228 2.996 368 H4* A 194 H4* A 194 21.582 42.278 3.754 369 H3* A 194 H3* A 194 20.430 41.667 1.049 370 H2* A 194 H2* A 194 19.161 43.677 1.118 371 2HO* A 194 2HO* A 194 19.694 44.889 3.313 372 H1* A 194 H1* A 194 21.346 45.253 1.849 373 H8 A 194 H8 A 194 22.377 42.565 -0.546 374 1H6 A 194 1H6 A 194 20.832 46.514 -5.125 375 2H6 A 194 2H6 A 194 21.599 44.982 -4.774 376 H2 A 194 H2 A 194 19.464 48.250 -1.271 377 1H5* C 195 1H5* C 195 17.148 42.499 3.490 378 2H5* C 195 2H5* C 195 15.764 41.443 3.213 379 H4* C 195 H4* C 195 15.093 43.706 2.831 380 H3* C 195 H3* C 195 15.289 42.005 0.358 381 H2* C 195 H2* C 195 14.413 43.794 -0.936 382 2HO* C 195 2HO* C 195 13.376 45.470 0.174 383 H1* C 195 H1* C 195 16.152 45.677 0.281 384 1H4 C 195 1H4 C 195 18.864 44.298 -5.338 385 2H4 C 195 2H4 C 195 19.566 42.862 -4.625 386 H5 C 195 H5 C 195 19.099 42.117 -2.434 387 H6 C 195 H6 C 195 17.830 42.570 -0.365 388 1H5* G 196 1H5* G 196 10.867 43.233 0.095 389 2H5* G 196 2H5* G 196 10.175 41.614 -0.024 390 H4* G 196 H4* G 196 9.298 42.896 -1.817 391 H3* G 196 H3* G 196 11.346 40.864 -2.655 392 H2* G 196 H2* G 196 10.970 41.424 -4.941 393 2HO* G 196 2HO* G 196 9.240 43.213 -5.152 394 H1* G 196 H1* G 196 11.250 44.165 -4.492 395 H8 G 196 H8 G 196 13.587 42.114 -2.375 396 H1 G 196 H1 G 196 15.864 43.444 -8.285 397 1H2 G 196 1H2 G 196 14.371 44.297 -9.422 398 2H2 G 196 2H2 G 196 12.744 44.606 -8.859 399 1H5* A 197 1H5* A 197 10.516 37.072 -4.531 400 2H5* A 197 2H5* A 197 10.813 37.902 -6.059 401 H4* A 197 H4* A 197 8.383 36.512 -5.078 402 H3* A 197 H3* A 197 9.899 36.714 -7.658 403 H2* A 197 H2* A 197 7.943 36.171 -8.888 404 2HO* A 197 2HO* A 197 6.163 36.002 -6.823 405 H1* A 197 H1* A 197 6.354 38.008 -7.439 406 H8 A 197 H8 A 197 9.435 37.706 -9.616 407 1H6 A 197 1H6 A 197 7.450 42.906 -12.440 408 2H6 A 197 2H6 A 197 8.644 41.629 -12.498 409 H2 A 197 H2 A 197 4.832 42.144 -8.931 410 1H5* U 198 1H5* U 198 11.850 34.761 -3.124 411 2H5* U 198 2H5* U 198 12.807 34.772 -4.605 412 H4* U 198 H4* U 198 12.654 32.320 -4.722 413 H3* U 198 H3* U 198 10.995 32.602 -2.214 414 H2* U 198 H2* U 198 11.950 30.680 -1.383 415 2HO* U 198 2HO* U 198 12.929 29.537 -3.649 416 H1* U 198 H1* U 198 14.271 31.044 -3.238 417 H3 U 198 H3 U 198 16.738 29.459 0.166 418 H5 U 198 H5 U 198 14.701 32.676 1.907 419 H6 U 198 H6 U 198 13.481 32.919 -0.205 420 1H5* G 199 1H5* G 199 8.240 33.633 -4.831 421 2H5* G 199 2H5* G 199 8.482 34.929 -3.659 422 H4* G 199 H4* G 199 6.179 34.880 -3.994 423 H3* G 199 H3* G 199 6.914 33.436 -1.463 424 H2* G 199 H2* G 199 4.604 33.100 -0.989 425 2HO* G 199 2HO* G 199 3.613 34.907 -1.725 426 H1* G 199 H1* G 199 4.048 32.099 -3.535 427 H8 G 199 H8 G 199 6.480 31.654 -0.656 428 H1 G 199 H1 G 199 4.249 26.134 -3.193 429 1H2 G 199 1H2 G 199 3.142 26.550 -4.883 430 2H2 G 199 2H2 G 199 2.861 28.156 -5.517 431 1H5* A 200 1H5* A 200 9.152 34.278 -0.391 432 2H5* A 200 2H5* A 200 7.745 33.520 0.355 433 H4* A 200 H4* A 200 9.026 35.145 2.324 434 H3* A 200 H3* A 200 10.950 33.659 0.600 435 H2* A 200 H2* A 200 12.096 32.760 2.477 436 2HO* A 200 2HO* A 200 10.564 33.703 4.498 437 H1* A 200 H1* A 200 9.831 31.795 3.713 438 H8 A 200 H8 A 200 9.120 31.538 0.094 439 1H6 A 200 1H6 A 200 12.352 26.199 0.084 440 2H6 A 200 2H6 A 200 11.283 27.210 -0.862 441 H2 A 200 H2 A 200 13.013 28.217 3.988 442 1H5* C 201 1H5* C 201 14.731 36.280 2.400 443 2H5* C 201 2H5* C 201 15.526 34.711 2.518 444 H4* C 201 H4* C 201 13.162 35.767 4.024 445 H3* C 201 H3* C 201 15.807 34.536 4.743 446 H2* C 201 H2* C 201 14.897 33.670 6.735 447 2HO* C 201 2HO* C 201 12.581 34.486 7.137 448 H1* C 201 H1* C 201 12.432 32.988 5.366 449 1H4 C 201 1H4 C 201 15.041 27.314 6.623 450 2H4 C 201 2H4 C 201 16.334 27.644 5.491 451 H5 C 201 H5 C 201 16.592 29.698 4.354 452 H6 C 201 H6 C 201 15.666 31.962 4.019 453 1H5* C 202 1H5* C 202 14.877 37.251 8.090 454 2H5* C 202 2H5* C 202 16.360 37.676 8.943 455 H4* C 202 H4* C 202 14.758 36.344 10.292 456 H3* C 202 H3* C 202 17.520 35.226 9.782 457 H2* C 202 H2* C 202 17.054 33.522 11.342 458 2HO* C 202 2HO* C 202 14.571 34.276 12.160 459 H1* C 202 H1* C 202 14.347 33.268 10.378 460 1H4 C 202 1H4 C 202 17.433 28.017 8.409 461 2H4 C 202 2H4 C 202 17.994 28.912 7.015 462 H5 C 202 H5 C 202 17.642 31.228 6.709 463 H6 C 202 H6 C 202 16.652 33.273 7.674 464 1H5* C 203 1H5* C 203 17.763 36.301 14.283 465 2H5* C 203 2H5* C 203 19.500 36.461 14.538 466 H4* C 203 H4* C 203 18.422 34.682 15.898 467 H3* C 203 H3* C 203 20.654 33.978 13.999 468 H2* C 203 H2* C 203 20.677 31.781 14.902 469 2HO* C 203 2HO* C 203 19.710 31.482 16.907 470 H1* C 203 H1* C 203 17.851 31.574 14.771 471 1H4 C 203 1H4 C 203 20.012 28.428 9.643 472 2H4 C 203 2H4 C 203 20.115 29.947 8.782 473 H5 C 203 H5 C 203 19.721 32.052 9.776 474 H6 C 203 H6 C 203 19.125 33.231 11.864 475 1H5* U 204 1H5* U 204 21.159 33.208 17.926 476 2H5* U 204 2H5* U 204 22.679 33.222 18.821 477 H4* U 204 H4* U 204 21.582 31.091 19.086 478 H3* U 204 H3* U 204 24.147 31.090 17.520 479 H2* U 204 H2* U 204 24.062 28.715 17.386 480 2HO* U 204 2HO* U 204 22.525 27.647 18.726 481 H1* U 204 H1* U 204 21.413 28.679 16.512 482 H3 U 204 H3 U 204 24.278 27.557 13.060 483 H5 U 204 H5 U 204 23.783 31.711 12.864 484 H6 U 204 H6 U 204 22.661 31.581 15.039 485 1H5* A 205 1H5* A 205 26.028 30.030 21.777 486 2H5* A 205 2H5* A 205 27.721 30.396 21.447 487 H4* A 205 H4* A 205 27.038 27.942 21.601 488 H3* A 205 H3* A 205 28.686 29.094 19.363 489 H2* A 205 H2* A 205 28.969 26.915 18.463 490 2HO* A 205 2HO* A 205 27.718 25.260 19.983 491 H1* A 205 H1* A 205 26.252 26.276 18.653 492 H8 A 205 H8 A 205 26.370 29.813 17.644 493 1H6 A 205 1H6 A 205 27.322 27.894 11.783 494 2H6 A 205 2H6 A 205 26.943 29.284 12.776 495 H2 A 205 H2 A 205 27.781 24.395 14.482 496 1H5* G 206 1H5* G 206 30.793 26.961 17.646 497 2H5* G 206 2H5* G 206 32.391 27.167 18.362 498 H4* G 206 H4* G 206 31.019 28.988 16.378 499 H3* G 206 H3* G 206 33.208 26.976 16.156 500 H2* G 206 H2* G 206 34.455 28.365 14.675 501 2HO* G 206 2HO* G 206 32.976 30.607 14.661 502 H1* G 206 H1* G 206 34.306 30.588 16.353 503 H8 G 206 H8 G 206 34.636 27.557 18.477 504 H1 G 206 H1 G 206 40.274 29.563 16.015 505 1H2 G 206 1H2 G 206 39.926 31.000 14.576 506 2H2 G 206 2H2 G 206 38.342 31.575 14.107 507 1H5* U 207 1H5* U 207 30.227 26.355 11.864 508 2H5* U 207 2H5* U 207 31.480 25.951 10.691 509 H4* U 207 H4* U 207 29.729 27.667 10.004 510 H3* U 207 H3* U 207 32.692 28.090 9.700 511 H2* U 207 H2* U 207 32.275 30.140 8.576 512 2HO* U 207 2HO* U 207 29.580 30.257 8.691 513 H1* U 207 H1* U 207 30.440 31.035 10.489 514 H3 U 207 H3 U 207 33.860 33.749 11.547 515 H5 U 207 H5 U 207 35.330 29.959 12.552 516 H6 U 207 H6 U 207 33.274 29.019 11.602 517 1H5* A 208 1H5* A 208 32.884 27.452 4.375 518 2H5* A 208 2H5* A 208 31.282 26.982 3.812 519 H4* A 208 H4* A 208 32.843 25.339 3.075 520 H3* A 208 H3* A 208 30.941 24.474 5.208 521 H2* A 208 H2* A 208 31.901 22.299 5.294 522 2HO* A 208 2HO* A 208 33.743 23.174 3.282 523 H1* A 208 H1* A 208 34.515 23.269 5.513 524 H8 A 208 H8 A 208 31.513 24.891 7.257 525 1H6 A 208 1H6 A 208 33.563 21.996 12.391 526 2H6 A 208 2H6 A 208 32.353 23.097 11.773 527 H2 A 208 H2 A 208 36.170 20.813 8.993 528 1H5* G 209 1H5* G 209 29.610 22.009 2.738 529 2H5* G 209 2H5* G 209 27.885 21.649 2.814 530 H4* G 209 H4* G 209 29.278 20.361 4.422 531 H3* G 209 H3* G 209 27.013 22.089 5.377 532 H2* G 209 H2* G 209 27.356 21.309 7.602 533 2HO* G 209 2HO* G 209 29.357 19.710 7.592 534 H1* G 209 H1* G 209 30.102 21.820 7.535 535 H8 G 209 H8 G 209 28.384 24.528 5.666 536 H1 G 209 H1 G 209 28.162 25.339 12.084 537 1H2 G 209 1H2 G 209 28.802 23.616 13.017 538 2H2 G 209 2H2 G 209 29.322 22.166 12.186 539 1H5* A 210 1H5* A 210 26.878 18.577 7.842 540 2H5* A 210 2H5* A 210 25.251 17.958 7.560 541 H4* A 210 H4* A 210 25.579 18.112 9.910 542 H3* A 210 H3* A 210 23.732 20.214 8.798 543 H2* A 210 H2* A 210 23.256 20.939 11.010 544 2HO* A 210 2HO* A 210 24.573 19.479 12.647 545 H1* A 210 H1* A 210 25.960 20.988 11.762 546 H8 A 210 H8 A 210 25.400 22.212 8.254 547 1H6 A 210 1H6 A 210 24.606 27.882 10.737 548 2H6 A 210 2H6 A 210 24.777 27.005 9.234 549 H2 A 210 H2 A 210 24.823 24.931 14.053 550 1H5* G 211 1H5* G 211 21.775 17.812 11.744 551 2H5* G 211 2H5* G 211 20.032 17.628 11.548 552 H4* G 211 H4* G 211 20.665 18.606 13.719 553 H3* G 211 H3* G 211 18.931 20.178 11.835 554 H2* G 211 H2* G 211 18.666 21.867 13.496 555 2HO* G 211 2HO* G 211 18.833 21.105 15.523 556 H1* G 211 H1* G 211 21.409 22.048 13.987 557 H8 G 211 H8 G 211 21.130 21.506 10.364 558 H1 G 211 H1 G 211 19.639 27.570 12.062 559 1H2 G 211 1H2 G 211 19.413 27.676 14.110 560 2H2 G 211 2H2 G 211 19.598 26.323 15.202 561 1H5* G 212 1H5* G 212 16.213 19.904 15.541 562 2H5* G 212 2H5* G 212 14.742 19.322 14.762 563 H4* G 212 H4* G 212 14.252 21.259 16.111 564 H3* G 212 H3* G 212 13.992 21.596 13.137 565 H2* G 212 H2* G 212 13.137 23.796 13.463 566 2HO* G 212 2HO* G 212 12.140 24.081 15.376 567 H1* G 212 H1* G 212 15.215 24.531 15.177 568 H8 G 212 H8 G 212 16.481 22.303 12.451 569 H1 G 212 H1 G 212 16.037 28.525 10.725 570 1H2 G 212 1H2 G 212 15.022 29.573 12.182 571 2H2 G 212 2H2 G 212 14.386 28.871 13.653 572 1H5* G 213 1H5* G 213 9.893 22.400 14.929 573 2H5* G 213 2H5* G 213 8.713 21.907 13.716 574 H4* G 213 H4* G 213 8.439 24.246 14.424 575 H3* G 213 H3* G 213 9.032 23.622 11.550 576 H2* G 213 H2* G 213 8.825 25.929 10.991 577 2HO* G 213 2HO* G 213 8.313 27.281 13.051 578 H1* G 213 H1* G 213 10.545 26.751 13.033 579 H8 G 213 H8 G 213 11.987 23.609 11.789 580 H1 G 213 H1 G 213 13.100 28.574 7.791 581 1H2 G 213 1H2 G 213 11.919 30.176 8.336 582 2H2 G 213 2H2 G 213 10.795 30.173 9.676 583 1H5* G 214 1H5* G 214 7.173 26.511 9.680 584 2H5* G 214 2H5* G 214 6.059 25.531 8.727 585 H4* G 214 H4* G 214 7.865 26.683 7.428 586 H3* G 214 H3* G 214 7.432 23.714 7.262 587 H2* G 214 H2* G 214 9.102 23.567 5.568 588 2HO* G 214 2HO* G 214 9.688 25.468 4.541 589 H1* G 214 H1* G 214 10.972 25.019 7.042 590 H8 G 214 H8 G 214 9.169 22.992 9.525 591 H1 G 214 H1 G 214 13.442 19.509 6.134 592 1H2 G 214 1H2 G 214 14.092 20.605 4.513 593 2H2 G 214 2H2 G 214 13.558 22.226 4.128 594 1H5* G 215 1H5* G 215 6.977 24.985 3.003 595 2H5* G 215 2H5* G 215 5.620 24.030 2.407 596 H4* G 215 H4* G 215 7.729 23.770 1.106 597 H3* G 215 H3* G 215 6.383 21.380 2.346 598 H2* G 215 H2* G 215 7.942 19.958 1.241 599 2HO* G 215 2HO* G 215 9.561 21.719 0.039 600 H1* G 215 H1* G 215 10.147 21.483 2.079 601 H8 G 215 H8 G 215 7.869 21.397 4.955 602 H1 G 215 H1 G 215 11.055 15.817 4.188 603 1H2 G 215 1H2 G 215 11.971 15.795 2.341 604 2H2 G 215 2H2 G 215 11.889 17.095 1.173 605 1H5* C 216 1H5* C 216 4.463 21.109 -1.942 606 2H5* C 216 2H5* C 216 3.071 20.062 -1.660 607 H4* C 216 H4* C 216 5.092 19.054 -2.842 608 H3* C 216 H3* C 216 3.753 17.760 -0.467 609 H2* C 216 H2* C 216 5.126 15.852 -0.787 610 2HO* C 216 2HO* C 216 6.483 16.922 -2.986 611 H1* C 216 H1* C 216 7.460 17.408 -1.143 612 1H4 C 216 1H4 C 216 7.506 15.372 4.936 613 2H4 C 216 2H4 C 216 6.711 16.864 5.386 614 H5 C 216 H5 C 216 5.915 18.452 3.831 615 H6 C 216 H6 C 216 5.684 19.006 1.435 616 1H5* U 217 1H5* U 217 2.992 14.915 -3.763 617 2H5* U 217 2H5* U 217 1.669 13.848 -3.292 618 H4* U 217 H4* U 217 3.905 12.747 -3.493 619 H3* U 217 H3* U 217 2.317 12.596 -0.941 620 H2* U 217 H2* U 217 3.922 11.069 -0.064 621 2HO* U 217 2HO* U 217 5.465 10.209 -1.547 622 H1* U 217 H1* U 217 6.088 12.695 -0.796 623 H3 U 217 H3 U 217 5.799 12.790 3.775 624 H5 U 217 H5 U 217 3.057 15.664 2.447 625 H6 U 217 H6 U 217 3.432 14.827 0.173 626 1H5* G 218 1H5* G 218 -0.417 8.281 -1.492 627 2H5* G 218 2H5* G 218 0.756 9.378 -0.761 628 H4* G 218 H4* G 218 1.326 6.881 -1.627 629 H3* G 218 H3* G 218 3.144 9.293 -1.422 630 H2* G 218 H2* G 218 4.934 7.909 -2.058 631 2HO* G 218 2HO* G 218 3.389 5.562 -2.038 632 H1* G 218 H1* G 218 3.256 6.450 -3.914 633 H8 G 218 H8 G 218 3.281 10.168 -4.327 634 H1 G 218 H1 G 218 8.074 7.173 -7.479 635 1H2 G 218 1H2 G 218 8.148 5.195 -6.901 636 2H2 G 218 2H2 G 218 7.070 4.458 -5.737 637 1H5* C 219 1H5* C 219 4.339 6.951 1.583 638 2H5* C 219 2H5* C 219 4.077 5.477 2.515 639 H4* C 219 H4* C 219 4.730 6.708 4.261 640 H3* C 219 H3* C 219 1.870 7.490 3.926 641 H2* C 219 H2* C 219 2.052 9.237 5.503 642 2HO* C 219 2HO* C 219 4.771 8.510 5.961 643 H1* C 219 H1* C 219 4.451 10.247 4.477 644 1H4 C 219 1H4 C 219 -0.475 13.469 1.838 645 2H4 C 219 2H4 C 219 -0.064 12.650 0.348 646 H5 C 219 H5 C 219 1.526 10.911 0.199 647 H6 C 219 H6 C 219 3.130 9.516 1.455 648 1H5* G 220 1H5* G 220 4.659 3.635 6.128 649 2H5* G 220 2H5* G 220 4.971 5.334 5.769 650 H4* G 220 H4* G 220 6.406 3.012 4.919 651 H3* G 220 H3* G 220 6.805 5.992 4.565 652 H2* G 220 H2* G 220 8.660 5.507 3.207 653 2HO* G 220 2HO* G 220 8.734 2.788 3.481 654 H1* G 220 H1* G 220 7.308 3.201 2.073 655 H8 G 220 H8 G 220 7.100 3.771 -0.367 656 H1 G 220 H1 G 220 6.793 10.128 0.805 657 1H2 G 220 1H2 G 220 6.779 10.453 2.842 658 2H2 G 220 2H2 G 220 6.841 9.192 4.051 659 1H5* G 221 1H5* G 221 10.089 4.891 5.447 660 2H5* G 221 2H5* G 221 11.188 5.664 6.591 661 H4* G 221 H4* G 221 11.813 5.686 4.111 662 H3* G 221 H3* G 221 11.932 8.048 5.950 663 H2* G 221 H2* G 221 12.760 9.425 4.196 664 2HO* G 221 2HO* G 221 12.598 7.489 2.213 665 H1* G 221 H1* G 221 10.776 8.737 2.406 666 H8 G 221 H8 G 221 10.158 8.973 6.186 667 H1 G 221 H1 G 221 8.127 14.035 2.703 668 1H2 G 221 1H2 G 221 8.641 13.761 0.725 669 2H2 G 221 2H2 G 221 9.494 12.366 0.102 670 1H5* C 222 1H5* C 222 15.841 7.995 3.639 671 2H5* C 222 2H5* C 222 16.941 8.906 4.672 672 H4* C 222 H4* C 222 16.425 9.872 2.379 673 H3* C 222 H3* C 222 16.205 11.464 4.927 674 H2* C 222 H2* C 222 15.769 13.413 3.645 675 2HO* C 222 2HO* C 222 15.797 12.355 1.143 676 H1* C 222 H1* C 222 13.873 12.127 2.016 677 1H4 C 222 1H4 C 222 10.473 15.045 6.578 678 2H4 C 222 2H4 C 222 10.691 13.642 7.601 679 H5 C 222 H5 C 222 12.061 11.804 7.038 680 H6 C 222 H6 C 222 13.576 10.848 5.339 681 1H5* U 223 1H5* U 223 19.386 13.701 2.924 682 2H5* U 223 2H5* U 223 20.173 14.675 4.164 683 H4* U 223 H4* U 223 18.538 15.739 2.390 684 H3* U 223 H3* U 223 18.815 16.494 5.300 685 H2* U 223 H2* U 223 17.306 18.275 4.936 686 2HO* U 223 2HO* U 223 18.149 18.950 2.964 687 H1* U 223 H1* U 223 15.538 16.718 3.380 688 H3 U 223 H3 U 223 13.507 17.957 7.342 689 H5 U 223 H5 U 223 15.498 14.358 8.133 690 H6 U 223 H6 U 223 16.575 14.586 5.943 691 1H5* U 224 1H5* U 224 19.347 15.780 0.000 692 2H5* U 224 2H5* U 224 19.496 17.421 -0.626 693 H4* U 224 H4* U 224 17.303 15.737 -0.860 694 H3* U 224 H3* U 224 17.615 18.713 -1.310 695 H2* U 224 H2* U 224 15.358 18.773 -1.963 696 2HO* U 224 2HO* U 224 14.377 16.704 -2.522 697 H1* U 224 H1* U 224 14.647 16.800 0.037 698 H3 U 224 H3 U 224 11.851 20.283 0.913 699 H5 U 224 H5 U 224 15.597 21.595 2.248 700 H6 U 224 H6 U 224 16.557 19.583 1.227 701 1H5* A 225 1H5* A 225 18.481 17.597 -5.978 702 2H5* A 225 2H5* A 225 18.878 19.242 -6.472 703 H4* A 225 H4* A 225 16.657 18.223 -7.259 704 H3* A 225 H3* A 225 16.940 20.979 -6.076 705 H2* A 225 H2* A 225 14.656 21.393 -6.568 706 2HO* A 225 2HO* A 225 13.624 19.966 -8.028 707 H1* A 225 H1* A 225 13.806 18.922 -5.525 708 H8 A 225 H8 A 225 16.526 20.769 -3.633 709 1H6 A 225 1H6 A 225 11.908 23.190 -0.204 710 2H6 A 225 2H6 A 225 13.646 23.074 -0.360 711 H2 A 225 H2 A 225 10.098 20.867 -3.531 712 1H5* G 226 1H5* G 226 15.464 20.613 -9.865 713 2H5* G 226 2H5* G 226 15.608 21.802 -11.160 714 H4* G 226 H4* G 226 13.290 21.292 -10.807 715 H3* G 226 H3* G 226 14.162 24.048 -9.993 716 H2* G 226 H2* G 226 11.906 24.613 -9.474 717 2HO* G 226 2HO* G 226 10.386 22.666 -9.902 718 H1* G 226 H1* G 226 11.515 22.325 -7.921 719 H8 G 226 H8 G 226 14.966 23.366 -7.219 720 H1 G 226 H1 G 226 10.617 27.100 -4.216 721 1H2 G 226 1H2 G 226 8.740 26.726 -4.983 722 2H2 G 226 2H2 G 226 8.396 25.571 -6.252 723 1H5* G 227 1H5* G 227 12.015 25.523 -13.828 724 2H5* G 227 2H5* G 227 12.766 24.165 -14.667 725 H4* G 227 H4* G 227 12.305 26.110 -16.127 726 H3* G 227 H3* G 227 15.109 25.080 -15.812 727 H2* G 227 H2* G 227 15.866 26.634 -17.452 728 2HO* G 227 2HO* G 227 13.646 28.026 -17.988 729 H1* G 227 H1* G 227 14.610 28.803 -16.226 730 H8 G 227 H8 G 227 15.817 26.697 -13.462 731 H1 G 227 H1 G 227 20.574 30.101 -16.229 732 1H2 G 227 1H2 G 227 19.898 30.916 -17.999 733 2H2 G 227 2H2 G 227 18.284 30.706 -18.639 734 1H5* A 228 1H5* A 228 14.273 24.980 -19.999 735 2H5* A 228 2H5* A 228 14.923 23.529 -20.762 736 H4* A 228 H4* A 228 15.803 25.480 -21.856 737 H3* A 228 H3* A 228 17.767 23.856 -20.265 738 H2* A 228 H2* A 228 19.537 25.262 -20.995 739 2HO* A 228 2HO* A 228 19.120 25.922 -23.021 740 H1* A 228 H1* A 228 18.067 27.616 -20.427 741 H8 A 228 H8 A 228 17.633 25.185 -17.662 742 1H6 A 228 1H6 A 228 22.986 27.333 -15.278 743 2H6 A 228 2H6 A 228 21.593 26.326 -14.954 744 H2 A 228 H2 A 228 22.523 28.992 -19.376 745 1H5* G 229 1H5* G 229 19.213 24.127 -24.497 746 2H5* G 229 2H5* G 229 19.826 22.532 -24.934 747 H4* G 229 H4* G 229 21.461 24.221 -25.471 748 H3* G 229 H3* G 229 22.166 22.306 -23.273 749 H2* G 229 H2* G 229 24.328 23.291 -23.086 750 2HO* G 229 2HO* G 229 23.656 25.206 -25.069 751 H1* G 229 H1* G 229 23.320 25.888 -22.928 752 H8 G 229 H8 G 229 20.925 23.795 -21.075 753 H1 G 229 H1 G 229 26.324 24.957 -17.699 754 1H2 G 229 1H2 G 229 27.753 25.768 -18.944 755 2H2 G 229 2H2 G 229 27.524 26.085 -20.649 756 1H5* G 230 1H5* G 230 25.489 21.859 -26.337 757 2H5* G 230 2H5* G 230 25.864 20.135 -26.322 758 H4* G 230 H4* G 230 27.835 21.546 -25.914 759 H3* G 230 H3* G 230 26.956 19.601 -23.800 760 H2* G 230 H2* G 230 28.881 20.141 -22.505 761 2HO* G 230 2HO* G 230 29.627 22.038 -24.499 762 H1* G 230 H1* G 230 28.447 22.891 -22.697 763 H8 G 230 H8 G 230 25.093 21.413 -22.412 764 H1 G 230 H1 G 230 28.214 21.550 -16.743 765 1H2 G 230 1H2 G 230 30.203 21.994 -17.063 766 2H2 G 230 2H2 G 230 30.917 22.286 -18.633 767 1H5* G 231 1H5* G 231 31.065 18.935 -24.483 768 2H5* G 231 2H5* G 231 31.310 17.266 -25.000 769 H4* G 231 H4* G 231 32.938 17.601 -23.373 770 H3* G 231 H3* G 231 30.587 16.111 -22.278 771 H2* G 231 H2* G 231 31.608 15.976 -20.130 772 2HO* G 231 2HO* G 231 33.829 17.472 -20.569 773 H1* G 231 H1* G 231 32.161 18.710 -20.031 774 H8 G 231 H8 G 231 28.884 18.254 -21.720 775 H1 G 231 H1 G 231 28.488 17.906 -15.270 776 1H2 G 231 1H2 G 231 30.384 17.797 -14.469 777 2H2 G 231 2H2 G 231 31.862 17.800 -15.405 778 1H5* C 232 1H5* C 232 34.021 14.213 -21.117 779 2H5* C 232 2H5* C 232 34.077 12.468 -21.365 780 H4* C 232 H4* C 232 34.616 12.815 -19.105 781 H3* C 232 H3* C 232 31.812 11.822 -19.487 782 H2* C 232 H2* C 232 31.481 11.764 -17.135 783 2HO* C 232 2HO* C 232 33.300 11.660 -15.879 784 H1* C 232 H1* C 232 32.540 14.351 -16.772 785 1H4 C 232 1H4 C 232 26.219 15.226 -16.944 786 2H4 C 232 2H4 C 232 26.267 15.161 -18.692 787 H5 C 232 H5 C 232 28.212 14.661 -19.936 788 H6 C 232 H6 C 232 30.612 14.097 -19.808 789 1H5* A 233 1H5* A 233 33.779 9.149 -16.697 790 2H5* A 233 2H5* A 233 33.309 7.478 -17.000 791 H4* A 233 H4* A 233 32.857 8.026 -14.708 792 H3* A 233 H3* A 233 30.465 7.587 -16.462 793 H2* A 233 H2* A 233 29.009 7.891 -14.606 794 2HO* A 233 2HO* A 233 31.332 8.334 -12.995 795 H1* A 233 H1* A 233 30.302 10.254 -13.792 796 H8 A 233 H8 A 233 29.991 10.043 -17.518 797 1H6 A 233 1H6 A 233 24.390 12.718 -16.869 798 2H6 A 233 2H6 A 233 25.597 12.223 -18.034 799 H2 A 233 H2 A 233 25.901 11.662 -12.827 800 1H5* G 234 1H5* G 234 30.100 5.267 -12.891 801 2H5* G 234 2H5* G 234 29.745 3.584 -13.280 802 H4* G 234 H4* G 234 28.222 4.232 -11.595 803 H3* G 234 H3* G 234 26.994 3.992 -14.316 804 H2* G 234 H2* G 234 24.848 4.533 -13.436 805 2HO* G 234 2HO* G 234 24.650 3.899 -11.371 806 H1* G 234 H1* G 234 25.774 6.805 -12.108 807 H8 G 234 H8 G 234 27.637 6.611 -15.295 808 H1 G 234 H1 G 234 21.638 8.924 -16.037 809 1H2 G 234 1H2 G 234 20.564 8.624 -14.301 810 2H2 G 234 2H2 G 234 21.196 7.860 -12.860 811 1H GLY 15 1H GLY 15 10.995 -3.119 -1.028 812 1HA GLY 15 1HA GLY 15 8.152 -2.541 -1.532 813 2HA GLY 15 2HA GLY 15 8.837 -3.005 0.019 814 H ARG 16 H ARG 16 9.319 -0.433 -2.407 815 HA ARG 16 HA ARG 16 8.575 1.647 -0.647 816 1HB ARG 16 2HB ARG 16 10.837 2.696 -0.409 817 2HB ARG 16 3HB ARG 16 10.622 1.217 0.518 818 1HG ARG 16 2HG ARG 16 11.647 0.365 -1.918 819 2HG ARG 16 3HG ARG 16 12.541 1.841 -1.544 820 1HD ARG 16 2HD ARG 16 12.201 -0.536 0.281 821 2HD ARG 16 3HD ARG 16 13.654 -0.139 -0.635 822 HE ARG 16 HE ARG 16 12.815 1.013 1.841 823 1HH1 ARG 16 2HH1 ARG 16 14.558 1.635 -1.108 824 2HH1 ARG 16 1HH1 ARG 16 15.556 2.868 -0.411 825 1HH2 ARG 16 2HH2 ARG 16 14.124 2.635 2.769 826 2HH2 ARG 16 1HH2 ARG 16 15.309 3.435 1.795 827 H ALA 17 H ALA 17 10.485 0.681 -3.447 828 HA ALA 17 HA ALA 17 10.632 1.520 -5.558 829 1HB ALA 17 1HB ALA 17 8.201 3.154 -4.848 830 2HB ALA 17 2HB ALA 17 8.768 2.728 -6.463 831 3HB ALA 17 3HB ALA 17 8.153 1.475 -5.386 832 H ARG 18 H ARG 18 11.622 3.018 -3.035 833 HA ARG 18 HA ARG 18 11.662 5.758 -3.477 834 1HB ARG 18 2HB ARG 18 12.543 4.417 -1.471 835 2HB ARG 18 3HB ARG 18 14.031 4.250 -2.394 836 1HG ARG 18 2HG ARG 18 12.820 6.937 -1.850 837 2HG ARG 18 3HG ARG 18 13.883 6.142 -0.688 838 1HD ARG 18 2HD ARG 18 15.151 5.947 -3.190 839 2HD ARG 18 3HD ARG 18 14.554 7.601 -3.064 840 HE ARG 18 HE ARG 18 15.910 6.731 -0.700 841 1HH1 ARG 18 2HH1 ARG 18 16.349 8.030 -3.900 842 2HH1 ARG 18 1HH1 ARG 18 17.874 8.766 -3.534 843 1HH2 ARG 18 2HH2 ARG 18 17.917 7.695 -0.206 844 2HH2 ARG 18 1HH2 ARG 18 18.765 8.574 -1.432 845 H GLY 19 H GLY 19 12.673 7.072 -4.872 846 1HA GLY 19 1HA GLY 19 14.480 7.748 -6.250 847 2HA GLY 19 2HA GLY 19 14.985 6.068 -6.368 848 H LEU 20 H LEU 20 12.081 5.352 -6.907 849 HA LEU 20 HA LEU 20 12.186 5.937 -9.779 850 1HB LEU 20 2HB LEU 20 11.261 3.668 -8.145 851 2HB LEU 20 3HB LEU 20 10.255 4.059 -9.539 852 HG LEU 20 HG LEU 20 13.086 3.913 -10.204 853 1HD1 LEU 20 1HD1 LEU 20 12.780 2.212 -8.300 854 2HD1 LEU 20 2HD1 LEU 20 13.513 1.663 -9.807 855 3HD1 LEU 20 3HD1 LEU 20 11.822 1.300 -9.467 856 1HD2 LEU 20 1HD2 LEU 20 10.510 2.751 -11.211 857 2HD2 LEU 20 2HD2 LEU 20 12.069 2.257 -11.871 858 3HD2 LEU 20 3HD2 LEU 20 11.562 3.943 -11.975 859 H CYS 21 H CYS 21 10.842 7.502 -10.592 860 HA CYS 21 HA CYS 21 8.853 8.632 -8.972 861 1HB CYS 21 2HB CYS 21 10.092 9.826 -10.787 862 2HB CYS 21 3HB CYS 21 9.195 8.902 -11.976 863 H TYR 22 H TYR 22 6.581 8.536 -9.296 864 HA TYR 22 HA TYR 22 5.630 6.064 -10.587 865 1HB TYR 22 2HB TYR 22 5.139 5.662 -8.375 866 2HB TYR 22 3HB TYR 22 4.926 7.368 -7.999 867 HD1 TYR 22 HD1 TYR 22 3.316 4.703 -10.071 868 HD2 TYR 22 HD2 TYR 22 2.783 8.112 -7.580 869 HE1 TYR 22 HE1 TYR 22 0.877 4.427 -10.223 870 HE2 TYR 22 HE2 TYR 22 0.342 7.843 -7.725 871 HH TYR 22 HH TYR 22 -1.141 5.070 -8.816 872 H THR 23 H THR 23 5.281 9.485 -10.312 873 HA THR 23 HA THR 23 2.680 9.768 -11.378 874 HB THR 23 HB THR 23 5.001 11.705 -11.496 875 HG1 THR 23 HG1 THR 23 4.567 11.598 -9.395 876 1HG2 THR 23 1HG2 THR 23 3.464 12.485 -13.086 877 2HG2 THR 23 2HG2 THR 23 3.048 13.373 -11.621 878 3HG2 THR 23 3HG2 THR 23 2.076 11.990 -12.119 879 H CYS 24 H CYS 24 5.953 9.731 -12.935 880 HA CYS 24 HA CYS 24 4.533 9.634 -15.494 881 1HB CYS 24 2HB CYS 24 6.554 10.490 -16.540 882 2HB CYS 24 3HB CYS 24 6.032 11.573 -15.265 883 H GLY 25 H GLY 25 7.000 8.263 -13.395 884 1HA GLY 25 1HA GLY 25 7.342 5.898 -13.231 885 2HA GLY 25 2HA GLY 25 6.866 5.749 -14.916 886 H SER 26 H SER 26 9.143 8.116 -13.653 887 HA SER 26 HA SER 26 11.197 6.956 -15.394 888 1HB SER 26 2HB SER 26 10.480 9.434 -15.503 889 2HB SER 26 3HB SER 26 11.397 9.624 -14.009 890 HG SER 26 HG SER 26 13.245 9.045 -15.072 891 HA PRO 27 HA PRO 27 13.096 5.330 -11.698 892 1HB PRO 27 2HB PRO 27 15.196 4.171 -12.970 893 2HB PRO 27 3HB PRO 27 13.576 3.463 -12.947 894 1HG PRO 27 2HG PRO 27 14.909 5.078 -15.088 895 2HG PRO 27 3HG PRO 27 13.921 3.613 -15.242 896 1HD PRO 27 2HD PRO 27 12.939 6.090 -15.722 897 2HD PRO 27 3HD PRO 27 11.941 4.778 -15.063 898 H GLY 28 H GLY 28 13.686 7.371 -10.807 899 1HA GLY 28 1HA GLY 28 16.371 7.831 -10.419 900 2HA GLY 28 2HA GLY 28 15.932 8.848 -11.783 901 H HIS 29 H HIS 29 13.770 10.092 -11.338 902 HA HIS 29 HA HIS 29 14.186 11.501 -8.809 903 1HB HIS 29 2HB HIS 29 12.957 13.330 -9.789 904 2HB HIS 29 3HB HIS 29 14.156 12.780 -10.956 905 HD1 HIS 29 HD1 HIS 29 13.305 12.302 -13.237 906 HD2 HIS 29 HD2 HIS 29 10.267 12.274 -10.403 907 HE1 HIS 29 HE1 HIS 29 11.173 12.024 -14.541 908 H TYR 30 H TYR 30 11.843 12.621 -8.233 909 HA TYR 30 HA TYR 30 9.912 10.413 -7.995 910 1HB TYR 30 2HB TYR 30 11.451 11.473 -5.893 911 2HB TYR 30 3HB TYR 30 9.833 12.133 -5.679 912 HD1 TYR 30 HD1 TYR 30 11.509 8.871 -6.401 913 HD2 TYR 30 HD2 TYR 30 8.300 10.895 -4.475 914 HE1 TYR 30 HE1 TYR 30 10.783 6.748 -5.395 915 HE2 TYR 30 HE2 TYR 30 7.565 8.777 -3.463 916 HH TYR 30 HH TYR 30 9.488 5.912 -3.593 917 H GLN 31 H GLN 31 7.775 11.357 -7.012 918 HA GLN 31 HA GLN 31 6.603 13.010 -8.882 919 1HB GLN 31 2HB GLN 31 5.224 11.680 -7.453 920 2HB GLN 31 3HB GLN 31 5.844 12.474 -6.012 921 1HG GLN 31 2HG GLN 31 4.444 14.214 -6.205 922 2HG GLN 31 3HG GLN 31 4.576 14.261 -7.962 923 1HE2 GLN 31 1HE2 GLN 31 2.575 14.174 -8.710 924 2HE2 GLN 31 2HE2 GLN 31 1.377 13.015 -8.255 925 H ALA 32 H ALA 32 8.007 13.891 -5.751 926 HA ALA 32 HA ALA 32 7.306 16.591 -5.726 927 1HB ALA 32 1HB ALA 32 8.163 15.603 -3.742 928 2HB ALA 32 2HB ALA 32 9.676 15.165 -4.536 929 3HB ALA 32 3HB ALA 32 9.301 16.860 -4.226 930 H GLN 33 H GLN 33 9.639 14.906 -7.622 931 HA GLN 33 HA GLN 33 10.589 17.477 -8.699 932 1HB GLN 33 2HB GLN 33 12.181 15.761 -7.322 933 2HB GLN 33 3HB GLN 33 12.403 15.165 -8.961 934 1HG GLN 33 2HG GLN 33 12.600 17.970 -9.084 935 2HG GLN 33 3HG GLN 33 13.558 17.445 -7.700 936 1HE2 GLN 33 1HE2 GLN 33 14.241 18.500 -10.430 937 2HE2 GLN 33 2HE2 GLN 33 15.382 17.364 -11.057 938 H CYS 34 H CYS 34 8.321 15.701 -9.587 939 HA CYS 34 HA CYS 34 9.326 14.398 -11.923 940 1HB CYS 34 2HB CYS 34 7.357 13.565 -10.627 941 2HB CYS 34 3HB CYS 34 6.451 14.977 -11.139 942 HA PRO 35 HA PRO 35 9.352 18.218 -14.249 943 1HB PRO 35 2HB PRO 35 10.035 17.083 -16.618 944 2HB PRO 35 3HB PRO 35 11.195 17.353 -15.312 945 1HG PRO 35 2HG PRO 35 9.743 14.846 -16.069 946 2HG PRO 35 3HG PRO 35 11.442 15.059 -15.608 947 1HD PRO 35 2HD PRO 35 9.568 14.142 -13.883 948 2HD PRO 35 3HD PRO 35 10.954 15.118 -13.357 949 H LYS 36 H LYS 36 7.305 15.505 -14.687 950 HA LYS 36 HA LYS 36 5.763 16.815 -16.802 951 1HB LYS 36 2HB LYS 36 5.959 14.041 -15.744 952 2HB LYS 36 3HB LYS 36 4.408 14.544 -16.405 953 1HG LYS 36 2HG LYS 36 5.970 15.374 -18.391 954 2HG LYS 36 3HG LYS 36 6.993 14.078 -17.767 955 1HD LYS 36 2HD LYS 36 5.565 12.452 -18.433 956 2HD LYS 36 3HD LYS 36 4.133 13.427 -18.096 957 1HE LYS 36 2HE LYS 36 5.741 14.471 -20.291 958 2HE LYS 36 3HE LYS 36 5.144 12.839 -20.588 959 1HZ LYS 36 1HZ LYS 36 2.901 13.645 -20.041 960 2HZ LYS 36 2HZ LYS 36 3.559 14.431 -21.385 961 3HZ LYS 36 3HZ LYS 36 3.509 15.216 -19.887 962 H LYS 37 H LYS 37 5.917 16.974 -13.554 963 HA LYS 37 HA LYS 37 3.141 16.787 -12.864 964 1HB LYS 37 2HB LYS 37 5.543 16.904 -11.457 965 2HB LYS 37 3HB LYS 37 4.739 18.419 -11.066 966 1HG LYS 37 2HG LYS 37 3.009 16.058 -10.934 967 2HG LYS 37 3HG LYS 37 4.340 16.067 -9.774 968 1HD LYS 37 2HD LYS 37 3.578 18.503 -9.304 969 2HD LYS 37 3HD LYS 37 2.069 17.998 -10.069 970 1HE LYS 37 2HE LYS 37 1.918 16.134 -8.456 971 2HE LYS 37 3HE LYS 37 3.379 16.725 -7.667 972 1HZ LYS 37 1HZ LYS 37 2.272 18.384 -6.670 973 2HZ LYS 37 2HZ LYS 37 0.912 17.414 -6.933 974 3HZ LYS 37 3HZ LYS 37 1.265 18.681 -7.997 975 H ARG 38 H ARG 38 1.816 18.164 -13.911 976 HA ARG 38 HA ARG 38 0.817 20.103 -14.556 977 1HB ARG 38 2HB ARG 38 0.920 20.561 -12.131 978 2HB ARG 38 3HB ARG 38 2.497 21.310 -12.351 979 1HG ARG 38 2HG ARG 38 0.919 22.659 -14.150 980 2HG ARG 38 3HG ARG 38 -0.165 22.394 -12.783 981 1HD ARG 38 2HD ARG 38 2.575 23.650 -12.662 982 2HD ARG 38 3HD ARG 38 1.037 24.508 -12.566 983 HE ARG 38 HE ARG 38 2.334 23.034 -10.467 984 1HH1 ARG 38 2HH1 ARG 38 -0.704 24.238 -11.667 985 2HH1 ARG 38 1HH1 ARG 38 -1.462 24.254 -10.109 986 1HH2 ARG 38 2HH2 ARG 38 1.348 23.051 -8.411 987 2HH2 ARG 38 1HH2 ARG 38 -0.294 23.580 -8.257 988 H LYS 39 H LYS 39 1.934 19.992 -16.584 989 HA LYS 39 HA LYS 39 3.201 22.380 -17.319 990 1HB LYS 39 2HB LYS 39 4.972 20.428 -16.209 991 2HB LYS 39 3HB LYS 39 5.323 20.590 -17.925 992 1HG LYS 39 2HG LYS 39 4.968 23.168 -16.667 993 2HG LYS 39 3HG LYS 39 6.231 22.220 -15.878 994 1HD LYS 39 2HD LYS 39 7.590 22.271 -17.695 995 2HD LYS 39 3HD LYS 39 6.244 22.235 -18.836 996 1HE LYS 39 2HE LYS 39 5.835 24.555 -18.561 997 2HE LYS 39 3HE LYS 39 6.903 24.647 -17.160 998 1HZ LYS 39 1HZ LYS 39 8.449 23.673 -19.222 999 2HZ LYS 39 2HZ LYS 39 8.503 25.227 -18.557 1000 3HZ LYS 39 3HZ LYS 39 7.536 24.920 -19.911 1001 H SER 40 H SER 40 2.378 22.596 -19.284 1002 HA SER 40 HA SER 40 2.644 20.380 -21.185 1003 1HB SER 40 2HB SER 40 0.214 20.997 -20.001 1004 2HB SER 40 3HB SER 40 0.143 21.842 -21.548 1005 HG SER 40 HG SER 40 -0.566 19.545 -21.460 1006 H GLY 41 H GLY 41 1.370 23.712 -20.979 1007 1HA GLY 41 1HA GLY 41 2.497 25.557 -22.037 1008 2HA GLY 41 2HA GLY 41 3.155 24.426 -23.211 1009 H ASN 42 H ASN 42 0.945 26.822 -22.791 1010 HA ASN 42 HA ASN 42 -0.438 26.083 -25.244 1011 1HB ASN 42 2HB ASN 42 -2.022 25.216 -23.724 1012 2HB ASN 42 3HB ASN 42 -1.812 26.562 -22.607 1013 1HD2 ASN 42 1HD2 ASN 42 -3.056 25.663 -25.769 1014 2HD2 ASN 42 2HD2 ASN 42 -4.237 26.921 -25.864 1015 H SER 43 H SER 43 0.001 28.491 -22.685 1016 HA SER 43 HA SER 43 -0.346 30.604 -24.710 1017 1HB SER 43 2HB SER 43 -1.874 30.423 -22.569 1018 2HB SER 43 3HB SER 43 -0.493 31.180 -21.775 1019 HG SER 43 HG SER 43 -1.804 32.197 -24.080 1020 H ARG 44 H ARG 44 0.849 32.706 -23.879 1021 HA ARG 44 HA ARG 44 3.590 31.911 -23.145 1022 1HB ARG 44 2HB ARG 44 2.630 33.936 -25.159 1023 2HB ARG 44 3HB ARG 44 4.268 33.957 -24.519 1024 1HG ARG 44 2HG ARG 44 3.577 31.318 -25.430 1025 2HG ARG 44 3HG ARG 44 3.316 32.512 -26.703 1026 1HD ARG 44 2HD ARG 44 5.518 32.121 -27.077 1027 2HD ARG 44 3HD ARG 44 5.692 33.352 -25.826 1028 HE ARG 44 HE ARG 44 6.626 31.766 -24.486 1029 1HH1 ARG 44 2HH1 ARG 44 4.737 30.169 -26.937 1030 2HH1 ARG 44 1HH1 ARG 44 5.219 28.576 -26.455 1031 1HH2 ARG 44 2HH2 ARG 44 7.267 29.673 -23.841 1032 2HH2 ARG 44 1HH2 ARG 44 6.657 28.295 -24.693 1033 H GLU 45 H GLU 45 1.665 32.623 -21.233 1034 HA GLU 45 HA GLU 45 2.610 35.283 -20.385 1035 1HB GLU 45 2HB GLU 45 -0.026 33.895 -19.943 1036 2HB GLU 45 3HB GLU 45 0.493 35.239 -18.935 1037 1HG GLU 45 2HG GLU 45 0.454 36.745 -20.736 1038 2HG GLU 45 3HG GLU 45 0.360 35.446 -21.923 1039 H ARG 46 H ARG 46 3.844 32.624 -19.955 1040 HA ARG 46 HA ARG 46 3.582 32.358 -17.043 1041 1HB ARG 46 2HB ARG 46 3.449 30.380 -18.770 1042 2HB ARG 46 3HB ARG 46 5.204 30.485 -18.719 1043 1HG ARG 46 2HG ARG 46 5.302 29.865 -16.482 1044 2HG ARG 46 3HG ARG 46 3.610 30.273 -16.197 1045 1HD ARG 46 2HD ARG 46 3.931 28.244 -18.250 1046 2HD ARG 46 3HD ARG 46 4.635 27.755 -16.710 1047 HE ARG 46 HE ARG 46 2.085 28.812 -16.232 1048 1HH1 ARG 46 2HH1 ARG 46 3.586 26.057 -17.742 1049 2HH1 ARG 46 1HH1 ARG 46 2.243 25.002 -17.453 1050 1HH2 ARG 46 2HH2 ARG 46 0.310 27.432 -15.845 1051 2HH2 ARG 46 1HH2 ARG 46 0.379 25.786 -16.374 1052 H CYS 47 H CYS 47 5.809 31.667 -15.922 1053 HA CYS 47 HA CYS 47 7.858 33.448 -17.027 1054 1HB CYS 47 2HB CYS 47 6.778 34.468 -15.049 1055 2HB CYS 47 3HB CYS 47 7.189 33.060 -14.091 1056 H GLN 48 H GLN 48 9.558 32.268 -17.584 1057 HA GLN 48 HA GLN 48 9.954 29.602 -16.458 1058 1HB GLN 48 2HB GLN 48 10.191 30.618 -19.033 1059 2HB GLN 48 3HB GLN 48 11.857 30.422 -18.503 1060 1HG GLN 48 2HG GLN 48 11.754 28.243 -18.845 1061 2HG GLN 48 3HG GLN 48 10.359 28.103 -17.776 1062 1HE2 GLN 48 1HE2 GLN 48 11.076 26.807 -20.365 1063 2HE2 GLN 48 2HE2 GLN 48 9.705 27.068 -21.385 1064 H LEU 49 H LEU 49 10.571 32.062 -14.957 1065 HA LEU 49 HA LEU 49 13.439 31.560 -14.512 1066 1HB LEU 49 2HB LEU 49 12.168 33.987 -15.236 1067 2HB LEU 49 3HB LEU 49 12.708 34.148 -13.566 1068 HG LEU 49 HG LEU 49 14.695 33.079 -15.472 1069 1HD1 LEU 49 1HD1 LEU 49 15.068 35.752 -15.827 1070 2HD1 LEU 49 2HD1 LEU 49 13.311 35.623 -15.907 1071 3HD1 LEU 49 3HD1 LEU 49 14.315 34.671 -17.000 1072 1HD2 LEU 49 1HD2 LEU 49 15.278 33.461 -13.162 1073 2HD2 LEU 49 2HD2 LEU 49 14.740 35.137 -13.267 1074 3HD2 LEU 49 3HD2 LEU 49 16.150 34.604 -14.184 1075 H CYS 50 H CYS 50 10.251 32.385 -13.068 1076 HA CYS 50 HA CYS 50 11.370 31.438 -10.535 1077 1HB CYS 50 2HB CYS 50 10.305 33.116 -9.282 1078 2HB CYS 50 3HB CYS 50 11.031 33.970 -10.627 1079 H ASN 51 H ASN 51 9.705 30.498 -12.959 1080 HA ASN 51 HA ASN 51 7.978 29.083 -13.385 1081 1HB ASN 51 2HB ASN 51 8.853 28.488 -10.686 1082 2HB ASN 51 3HB ASN 51 7.135 28.156 -10.883 1083 1HD2 ASN 51 1HD2 ASN 51 6.620 26.240 -11.642 1084 2HD2 ASN 51 2HD2 ASN 51 7.654 25.192 -12.548 1085 H GLY 52 H GLY 52 7.522 31.953 -12.501 1086 1HA GLY 52 1HA GLY 52 5.061 32.085 -11.108 1087 2HA GLY 52 2HA GLY 52 5.747 33.358 -12.107 1088 H MET 53 H MET 53 2.986 32.731 -11.932 1089 HA MET 53 HA MET 53 2.494 31.820 -14.690 1090 1HB MET 53 2HB MET 53 1.367 30.867 -12.190 1091 2HB MET 53 3HB MET 53 0.114 31.426 -13.290 1092 1HG MET 53 2HG MET 53 0.577 29.817 -14.859 1093 2HG MET 53 3HG MET 53 2.239 29.609 -14.310 1094 1HE MET 53 1HE MET 53 -1.446 27.831 -13.873 1095 2HE MET 53 2HE MET 53 -1.504 28.187 -12.146 1096 3HE MET 53 3HE MET 53 -1.340 29.500 -13.313 1097 H GLY 54 H GLY 54 2.298 33.771 -15.686 1098 1HA GLY 54 1HA GLY 54 0.090 35.157 -16.033 1099 2HA GLY 54 2HA GLY 54 0.583 35.813 -14.479 1100 H HIS 55 H HIS 55 3.159 36.275 -14.595 1101 HA HIS 55 HA HIS 55 3.376 38.329 -16.638 1102 1HB HIS 55 2HB HIS 55 5.376 39.048 -15.374 1103 2HB HIS 55 3HB HIS 55 3.947 38.935 -14.350 1104 HD1 HIS 55 HD1 HIS 55 3.820 36.673 -12.858 1105 HD2 HIS 55 HD2 HIS 55 7.524 37.643 -14.474 1106 HE1 HIS 55 HE1 HIS 55 5.498 35.339 -11.543 1107 H ASN 56 H ASN 56 5.983 38.580 -17.165 1108 HA ASN 56 HA ASN 56 6.719 36.019 -18.424 1109 1HB ASN 56 2HB ASN 56 5.951 38.041 -19.890 1110 2HB ASN 56 3HB ASN 56 7.561 38.670 -19.550 1111 1HD2 ASN 56 1HD2 ASN 56 5.724 36.685 -21.524 1112 2HD2 ASN 56 2HD2 ASN 56 7.011 35.881 -22.352 1113 H ALA 57 H ALA 57 8.952 35.539 -18.615 1114 HA ALA 57 HA ALA 57 10.495 36.097 -16.357 1115 1HB ALA 57 1HB ALA 57 11.146 34.934 -19.041 1116 2HB ALA 57 2HB ALA 57 12.404 35.195 -17.831 1117 3HB ALA 57 3HB ALA 57 11.044 34.131 -17.473 1118 H LYS 58 H LYS 58 10.381 37.655 -19.505 1119 HA LYS 58 HA LYS 58 12.721 39.196 -19.287 1120 1HB LYS 58 2HB LYS 58 10.243 39.302 -20.924 1121 2HB LYS 58 3HB LYS 58 11.201 40.774 -20.834 1122 1HG LYS 58 2HG LYS 58 12.250 38.083 -21.687 1123 2HG LYS 58 3HG LYS 58 11.759 39.379 -22.781 1124 1HD LYS 58 2HD LYS 58 13.667 40.517 -22.467 1125 2HD LYS 58 3HD LYS 58 13.658 40.230 -20.725 1126 1HE LYS 58 2HE LYS 58 15.454 38.951 -21.195 1127 2HE LYS 58 3HE LYS 58 14.234 37.752 -21.618 1128 1HZ LYS 58 1HZ LYS 58 14.730 37.894 -23.784 1129 2HZ LYS 58 2HZ LYS 58 16.195 38.552 -23.254 1130 3HZ LYS 58 3HZ LYS 58 14.941 39.572 -23.750 1131 H GLN 59 H GLN 59 9.652 39.481 -17.765 1132 HA GLN 59 HA GLN 59 10.387 42.152 -16.761 1133 1HB GLN 59 2HB GLN 59 8.178 41.700 -18.145 1134 2HB GLN 59 3HB GLN 59 7.582 41.143 -16.587 1135 1HG GLN 59 2HG GLN 59 8.793 43.553 -16.000 1136 2HG GLN 59 3HG GLN 59 8.017 43.836 -17.557 1137 1HE2 GLN 59 1HE2 GLN 59 7.419 44.804 -14.811 1138 2HE2 GLN 59 2HE2 GLN 59 5.759 44.407 -14.548 1139 H CYS 60 H CYS 60 10.919 39.178 -15.800 1140 HA CYS 60 HA CYS 60 9.581 39.324 -13.239 1141 1HB CYS 60 2HB CYS 60 9.697 37.163 -14.453 1142 2HB CYS 60 3HB CYS 60 11.445 37.199 -14.346 1143 H ARG 61 H ARG 61 10.659 39.761 -11.364 1144 HA ARG 61 HA ARG 61 12.201 40.714 -9.985 1145 1HB ARG 61 2HB ARG 61 14.024 39.042 -11.719 1146 2HB ARG 61 3HB ARG 61 14.559 39.880 -10.268 1147 1HG ARG 61 2HG ARG 61 12.555 38.556 -9.180 1148 2HG ARG 61 3HG ARG 61 12.839 37.478 -10.548 1149 1HD ARG 61 2HD ARG 61 14.343 36.531 -9.165 1150 2HD ARG 61 3HD ARG 61 15.371 37.862 -9.694 1151 HE ARG 61 HE ARG 61 13.869 38.701 -7.478 1152 1HH1 ARG 61 2HH1 ARG 61 16.453 36.512 -8.284 1153 2HH1 ARG 61 1HH1 ARG 61 17.187 36.595 -6.717 1154 1HH2 ARG 61 2HH2 ARG 61 14.827 38.819 -5.412 1155 2HH2 ARG 61 1HH2 ARG 61 16.261 37.907 -5.084 1156 H LYS 62 H LYS 62 11.413 42.199 -12.336 1157 HA LYS 62 HA LYS 62 13.705 44.019 -12.463 1158 1HB LYS 62 2HB LYS 62 12.150 43.018 -14.854 1159 2HB LYS 62 3HB LYS 62 13.257 44.385 -14.899 1160 1HG LYS 62 2HG LYS 62 15.127 43.044 -14.593 1161 2HG LYS 62 3HG LYS 62 14.179 41.703 -13.944 1162 1HD LYS 62 2HD LYS 62 13.303 41.175 -16.091 1163 2HD LYS 62 3HD LYS 62 13.932 42.671 -16.786 1164 1HE LYS 62 2HE LYS 62 16.150 41.380 -15.687 1165 2HE LYS 62 3HE LYS 62 15.215 40.105 -16.467 1166 1HZ LYS 62 1HZ LYS 62 16.387 42.529 -17.682 1167 2HZ LYS 62 2HZ LYS 62 15.135 41.685 -18.445 1168 3HZ LYS 62 3HZ LYS 62 16.606 40.912 -18.129 1169 H ARG 63 H ARG 63 10.277 43.527 -13.247 1170 HA ARG 63 HA ARG 63 8.465 44.892 -13.082 1171 1HB ARG 63 2HB ARG 63 9.548 45.167 -10.749 1172 2HB ARG 63 3HB ARG 63 10.072 46.738 -11.338 1173 1HG ARG 63 2HG ARG 63 7.974 47.606 -11.314 1174 2HG ARG 63 3HG ARG 63 7.207 46.051 -11.648 1175 1HD ARG 63 2HD ARG 63 7.683 45.330 -9.356 1176 2HD ARG 63 3HD ARG 63 8.448 46.884 -9.027 1177 HE ARG 63 HE ARG 63 5.723 47.076 -9.944 1178 1HH1 ARG 63 2HH1 ARG 63 7.819 46.736 -7.185 1179 2HH1 ARG 63 1HH1 ARG 63 6.661 47.370 -6.064 1180 1HH2 ARG 63 2HH2 ARG 63 4.190 47.913 -8.478 1181 2HH2 ARG 63 1HH2 ARG 63 4.596 48.039 -6.800 1182 H ASP 64 H ASP 64 10.535 45.353 -15.124 1183 HA ASP 64 HA ASP 64 9.471 47.702 -16.273 1184 1HB ASP 64 2HB ASP 64 11.265 49.236 -16.138 1185 2HB ASP 64 3HB ASP 64 11.049 48.639 -14.496
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