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view test-data/biobb_solvate_input.gro @ 2:4c626e984fde draft default tip
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| author | spanish_national_institue_of_bioinformatics |
|---|---|
| date | Fri, 12 Apr 2019 07:18:48 -0400 |
| parents | |
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Created with pdb2gmx building block 1196 1SER N 1 2.270 1.214 5.506 1SER H1 2 2.288 1.242 5.411 1SER H2 3 2.354 1.220 5.559 1SER H3 4 2.237 1.120 5.507 1SER CA 5 2.167 1.304 5.566 1SER HA 6 2.083 1.294 5.512 1SER CB 7 2.138 1.263 5.710 1SER HB1 8 2.222 1.264 5.765 1SER HB2 9 2.097 1.172 5.713 1SER OG 10 2.046 1.352 5.771 1SER HG 11 2.029 1.323 5.865 1SER C 12 2.215 1.448 5.559 1SER O 13 2.326 1.480 5.601 2GLU N 14 2.130 1.536 5.505 2GLU H 15 2.041 1.504 5.472 2GLU CA 16 2.165 1.677 5.493 2GLU HA 17 2.205 1.702 5.581 2GLU CB 18 2.267 1.697 5.381 2GLU HB1 19 2.224 1.670 5.294 2GLU HB2 20 2.346 1.639 5.399 2GLU CG 21 2.315 1.841 5.367 2GLU HG1 22 2.354 1.870 5.454 2GLU HG2 23 2.237 1.899 5.343 2GLU CD 24 2.421 1.856 5.259 2GLU OE1 25 2.456 1.755 5.196 2GLU OE2 26 2.469 1.970 5.239 2GLU C 27 2.040 1.761 5.467 2GLU O 28 1.946 1.716 5.400 3ALA N 29 2.039 1.882 5.522 3ALA H 30 2.118 1.912 5.575 3ALA CA 31 1.926 1.971 5.505 3ALA HA 32 1.846 1.920 5.536 3ALA CB 33 1.944 2.096 5.591 3ALA HB1 34 1.865 2.157 5.578 3ALA HB2 35 1.951 2.070 5.687 3ALA HB3 36 2.027 2.144 5.563 3ALA C 37 1.909 2.009 5.359 3ALA O 38 1.988 2.085 5.303 4GLU N 39 1.805 1.955 5.299 4GLU H 40 1.745 1.894 5.351 4GLU CA 41 1.775 1.982 5.159 4GLU HA 42 1.859 1.961 5.108 4GLU CB 43 1.662 1.890 5.110 4GLU HB1 44 1.635 1.920 5.018 4GLU HB2 45 1.584 1.900 5.172 4GLU CG 46 1.700 1.743 5.102 4GLU HG1 47 1.727 1.713 5.194 4GLU HG2 48 1.777 1.733 5.040 4GLU CD 49 1.586 1.656 5.054 4GLU OE1 50 1.475 1.710 5.031 4GLU OE2 51 1.607 1.534 5.038 4GLU C 52 1.737 2.128 5.139 4GLU O 53 1.740 2.180 5.028 5ASP N 54 1.702 2.195 5.249 5ASP H 55 1.702 2.148 5.337 5ASP CA 56 1.664 2.336 5.242 5ASP HA 57 1.589 2.341 5.177 5ASP CB 58 1.618 2.385 5.380 5ASP HB1 59 1.612 2.485 5.378 5ASP HB2 60 1.686 2.358 5.448 5ASP CG 61 1.483 2.329 5.420 5ASP OD1 62 1.413 2.276 5.331 5ASP OD2 63 1.448 2.340 5.539 5ASP C 64 1.781 2.419 5.192 5ASP O 65 1.762 2.515 5.116 6ALA N 66 1.901 2.385 5.235 6ALA H 67 1.911 2.306 5.296 6ALA CA 68 2.019 2.460 5.196 6ALA HA 69 2.007 2.552 5.233 6ALA CB 70 2.144 2.396 5.254 6ALA HB1 71 2.224 2.449 5.226 6ALA HB2 72 2.138 2.396 5.354 6ALA HB3 73 2.153 2.302 5.221 6ALA C 74 2.028 2.466 5.044 6ALA O 75 2.029 2.364 4.976 7SER N 76 2.033 2.588 4.995 7SER H 77 2.031 2.666 5.057 7SER CA 78 2.041 2.612 4.852 7SER HA 79 1.973 2.552 4.811 7SER CB 80 2.008 2.758 4.820 7SER HB1 81 1.922 2.785 4.864 7SER HB2 82 2.001 2.772 4.722 7SER OG 83 2.109 2.845 4.868 7SER HG 84 2.085 2.940 4.846 7SER C 85 2.180 2.577 4.800 7SER O 86 2.270 2.543 4.876 8LEU N 87 2.194 2.586 4.669 8LEU H 88 2.116 2.615 4.613 8LEU CA 89 2.321 2.557 4.602 8LEU HA 90 2.338 2.460 4.621 8LEU CB 91 2.309 2.582 4.452 8LEU HB1 92 2.401 2.573 4.412 8LEU HB2 93 2.276 2.676 4.439 8LEU CG 94 2.216 2.489 4.374 8LEU HG 95 2.125 2.492 4.417 8LEU CD1 96 2.203 2.534 4.230 8LEU HD11 97 2.141 2.472 4.181 8LEU HD12 98 2.165 2.627 4.227 8LEU HD13 99 2.293 2.533 4.186 8LEU CD2 100 2.266 2.345 4.381 8LEU HD21 101 2.204 2.286 4.330 8LEU HD22 102 2.357 2.340 4.340 8LEU HD23 103 2.270 2.315 4.476 8LEU C 104 2.435 2.640 4.661 8LEU O 105 2.550 2.625 4.620 9LEU N 106 2.403 2.725 4.757 9LEU H 107 2.308 2.732 4.787 9LEU CA 108 2.503 2.808 4.823 9LEU HA 109 2.567 2.835 4.750 9LEU CB 110 2.439 2.933 4.883 9LEU HB1 111 2.509 2.982 4.934 9LEU HB2 112 2.367 2.902 4.946 9LEU CG 113 2.375 3.031 4.785 9LEU HG 114 2.308 2.982 4.730 9LEU CD1 115 2.304 3.143 4.859 9LEU HD11 116 2.263 3.206 4.793 9LEU HD12 117 2.232 3.104 4.917 9LEU HD13 118 2.370 3.192 4.916 9LEU CD2 119 2.480 3.088 4.691 9LEU HD21 120 2.437 3.152 4.627 9LEU HD22 121 2.550 3.136 4.744 9LEU HD23 122 2.523 3.014 4.639 9LEU C 123 2.577 2.728 4.930 9LEU O 124 2.675 2.775 4.988 10SER N 125 2.528 2.608 4.957 10SER H 126 2.448 2.574 4.907 10SER CA 127 2.589 2.523 5.060 10SER HA 128 2.591 2.580 5.142 10SER CB 129 2.506 2.397 5.082 10SER HB1 130 2.411 2.420 5.102 10SER HB2 131 2.543 2.342 5.157 10SER OG 132 2.506 2.315 4.966 10SER HG 133 2.451 2.233 4.983 10SER C 134 2.732 2.485 5.024 10SER O 135 2.826 2.523 5.093 11PHE N 136 2.747 2.409 4.917 11PHE H 137 2.667 2.381 4.864 11PHE CA 138 2.879 2.365 4.877 11PHE HA 139 2.906 2.294 4.943 11PHE CB 140 2.876 2.306 4.736 11PHE HB1 141 2.841 2.375 4.673 11PHE HB2 142 2.814 2.227 4.736 11PHE CG 143 3.010 2.260 4.686 11PHE CD1 144 3.063 2.139 4.726 11PHE HD1 145 3.012 2.081 4.789 11PHE CE1 146 3.186 2.097 4.680 11PHE HE1 147 3.224 2.010 4.710 11PHE CZ 148 3.258 2.177 4.592 11PHE HZ 149 3.347 2.147 4.559 11PHE CE2 150 3.206 2.297 4.552 11PHE HE2 151 3.257 2.355 4.488 11PHE CD2 152 3.082 2.339 4.598 11PHE HD2 153 3.046 2.427 4.568 11PHE C 154 2.978 2.481 4.884 11PHE O 155 3.087 2.467 4.938 12MET N 156 2.940 2.594 4.826 12MET H 157 2.849 2.600 4.784 12MET CA 158 3.028 2.710 4.824 12MET HA 159 3.114 2.678 4.784 12MET CB 160 2.968 2.822 4.739 12MET HB1 161 2.879 2.848 4.778 12MET HB2 162 2.955 2.788 4.646 12MET CG 163 3.054 2.947 4.731 12MET HG1 164 3.140 2.917 4.691 12MET HG2 165 3.069 2.974 4.827 12MET SD 166 2.977 3.079 4.636 12MET CE 167 2.846 3.130 4.747 12MET HE1 168 2.794 3.204 4.705 12MET HE2 169 2.785 3.052 4.764 12MET HE3 170 2.886 3.161 4.833 12MET C 171 3.055 2.761 4.965 12MET O 172 3.169 2.757 5.012 13GLN N 173 2.951 2.810 5.032 13GLN H 174 2.861 2.811 4.987 13GLN CA 175 2.964 2.863 5.168 13GLN HA 176 2.993 2.958 5.157 13GLN CB 177 2.830 2.857 5.241 13GLN HB1 178 2.803 2.761 5.251 13GLN HB2 179 2.762 2.905 5.186 13GLN CG 180 2.832 2.920 5.380 13GLN HG1 181 2.904 2.877 5.433 13GLN HG2 182 2.744 2.903 5.424 13GLN CD 183 2.857 3.069 5.375 13GLN OE1 184 2.786 3.143 5.307 13GLN NE2 185 2.958 3.114 5.449 13GLN HE21 186 3.012 3.050 5.504 13GLN HE22 187 2.979 3.212 5.451 13GLN C 188 3.071 2.786 5.246 13GLN O 189 3.164 2.845 5.301 14GLY N 190 3.056 2.654 5.251 14GLY H 191 2.978 2.611 5.205 14GLY CA 192 3.152 2.570 5.323 14GLY HA1 193 3.113 2.478 5.329 14GLY HA2 194 3.163 2.607 5.415 14GLY C 195 3.287 2.565 5.251 14GLY O 196 3.392 2.560 5.315 15TYR N 197 3.285 2.566 5.119 15TYR H 198 3.197 2.570 5.071 15TYR CA 199 3.409 2.560 5.042 15TYR HA 200 3.446 2.468 5.056 15TYR CB 201 3.381 2.583 4.893 15TYR HB1 202 3.336 2.671 4.882 15TYR HB2 203 3.321 2.510 4.860 15TYR CG 204 3.506 2.583 4.807 15TYR CD1 205 3.566 2.464 4.769 15TYR HD1 206 3.527 2.377 4.799 15TYR CE1 207 3.680 2.463 4.691 15TYR HE1 208 3.722 2.377 4.664 15TYR CZ 209 3.735 2.583 4.649 15TYR OH 210 3.848 2.582 4.571 15TYR HH 211 3.874 2.676 4.549 15TYR CE2 212 3.676 2.704 4.685 15TYR HE2 213 3.715 2.790 4.655 15TYR CD2 214 3.562 2.702 4.764 15TYR HD2 215 3.520 2.789 4.791 15TYR C 216 3.508 2.662 5.094 15TYR O 217 3.615 2.627 5.143 16MET N 218 3.473 2.788 5.081 16MET H 219 3.385 2.812 5.040 16MET CA 220 3.562 2.892 5.127 16MET HA 221 3.646 2.885 5.073 16MET CB 222 3.499 3.030 5.105 16MET HB1 223 3.556 3.098 5.151 16MET HB2 224 3.407 3.030 5.144 16MET CG 225 3.488 3.070 4.958 16MET HG1 226 3.443 3.160 4.960 16MET HG2 227 3.426 3.003 4.918 16MET SD 228 3.647 3.074 4.875 16MET CE 229 3.727 3.210 4.960 16MET HE1 230 3.819 3.223 4.922 16MET HE2 231 3.673 3.293 4.947 16MET HE3 232 3.734 3.189 5.057 16MET C 233 3.593 2.869 5.273 16MET O 234 3.703 2.900 5.319 17LYS N 235 3.498 2.811 5.345 17LYS H 236 3.410 2.788 5.303 17LYS CA 237 3.521 2.783 5.486 17LYS HA 238 3.547 2.870 5.528 17LYS CB 239 3.393 2.731 5.552 17LYS HB1 240 3.366 2.647 5.506 17LYS HB2 241 3.322 2.800 5.542 17LYS CG 242 3.408 2.701 5.700 17LYS HG1 243 3.438 2.784 5.748 17LYS HG2 244 3.477 2.629 5.712 17LYS CD 245 3.277 2.654 5.761 17LYS HD1 246 3.245 2.573 5.712 17LYS HD2 247 3.209 2.727 5.751 17LYS CE 248 3.292 2.620 5.908 17LYS HE1 249 3.323 2.702 5.958 17LYS HE2 250 3.360 2.547 5.918 17LYS NZ 251 3.164 2.575 5.969 17LYS HZ1 252 3.178 2.554 6.065 17LYS HZ2 253 3.096 2.647 5.960 17LYS HZ3 254 3.132 2.493 5.921 17LYS C 255 3.635 2.682 5.501 17LYS O 256 3.727 2.701 5.580 18HIS N 257 3.626 2.574 5.423 18HIS H 258 3.549 2.565 5.360 18HIS CA 259 3.727 2.468 5.427 18HIS HA 260 3.746 2.456 5.525 18HIS CB 261 3.672 2.339 5.366 18HIS HB1 262 3.650 2.356 5.270 18HIS HB2 263 3.589 2.312 5.415 18HIS CG 264 3.768 2.224 5.371 18HIS ND1 265 3.799 2.158 5.488 18HIS CE1 266 3.887 2.061 5.461 18HIS HE1 267 3.925 1.999 5.530 18HIS NE2 268 3.918 2.056 5.333 18HIS HE2 269 3.980 1.992 5.288 18HIS CD2 270 3.849 2.152 5.274 18HIS HD2 271 3.852 2.172 5.176 18HIS C 272 3.855 2.508 5.356 18HIS O 273 3.964 2.489 5.409 19ALA N 274 3.844 2.560 5.233 19ALA H 275 3.753 2.575 5.194 19ALA CA 276 3.963 2.597 5.156 19ALA HA 277 4.015 2.512 5.144 19ALA CB 278 3.924 2.653 5.020 19ALA HB1 279 4.006 2.677 4.969 19ALA HB2 280 3.872 2.584 4.969 19ALA HB3 281 3.867 2.734 5.033 19ALA C 282 4.049 2.697 5.230 19ALA O 283 4.169 2.710 5.204 20THR N 284 3.988 2.765 5.324 20THR H 285 3.891 2.751 5.340 20THR CA 286 4.062 2.862 5.404 20THR HA 287 4.108 2.922 5.338 20THR CB 288 3.968 2.945 5.492 20THR HB 289 3.912 2.886 5.550 20THR CG2 290 4.047 3.044 5.576 20THR HG21 291 3.984 3.098 5.632 20THR HG22 292 4.111 2.994 5.635 20THR HG23 293 4.098 3.106 5.516 20THR OG1 294 3.877 3.019 5.409 20THR HG1 295 3.815 3.073 5.466 20THR C 296 4.164 2.788 5.490 20THR O 297 4.262 2.847 5.536 21LYS N 298 4.142 2.658 5.508 21LYS H 299 4.061 2.616 5.468 21LYS CA 300 4.234 2.576 5.586 21LYS HA 301 4.246 2.624 5.672 21LYS CB 302 4.174 2.437 5.611 21LYS HB1 303 4.245 2.378 5.649 21LYS HB2 304 4.142 2.400 5.524 21LYS CG 305 4.056 2.437 5.707 21LYS HG1 306 3.984 2.496 5.671 21LYS HG2 307 4.087 2.473 5.796 21LYS CD 308 4.001 2.297 5.727 21LYS HD1 309 4.073 2.238 5.763 21LYS HD2 310 3.970 2.262 5.639 21LYS CE 311 3.884 2.297 5.824 21LYS HE1 312 3.812 2.358 5.789 21LYS HE2 313 3.915 2.330 5.913 21LYS NZ 314 3.825 2.161 5.840 21LYS HZ1 315 3.749 2.165 5.905 21LYS HZ2 316 3.793 2.128 5.752 21LYS HZ3 317 3.895 2.099 5.876 21LYS C 318 4.368 2.562 5.515 21LYS O 319 4.473 2.562 5.579 22THR N 320 4.364 2.549 5.383 22THR H 321 4.276 2.550 5.336 22THR CA 322 4.486 2.532 5.304 22THR HA 323 4.528 2.449 5.342 22THR CB 324 4.455 2.514 5.154 22THR HB 325 4.540 2.508 5.101 22THR CG2 326 4.369 2.391 5.132 22THR HG21 327 4.350 2.381 5.035 22THR HG22 328 4.418 2.310 5.165 22THR HG23 329 4.283 2.401 5.182 22THR OG1 330 4.384 2.629 5.106 22THR HG1 331 4.364 2.617 5.009 22THR C 332 4.581 2.651 5.321 22THR O 333 4.699 2.644 5.284 23ALA N 334 4.530 2.760 5.377 23ALA H 335 4.434 2.760 5.406 23ALA CA 336 4.610 2.880 5.399 23ALA HA 337 4.627 2.918 5.308 23ALA CB 338 4.533 2.980 5.483 23ALA HB1 339 4.589 3.062 5.497 23ALA HB2 340 4.448 3.006 5.436 23ALA HB3 341 4.511 2.939 5.572 23ALA C 342 4.743 2.845 5.466 23ALA O 343 4.848 2.884 5.418 24LYS N 344 4.737 2.770 5.576 24LYS H 345 4.648 2.741 5.610 24LYS CA 346 4.858 2.730 5.647 24LYS HA 347 4.896 2.813 5.687 24LYS CB 348 4.823 2.632 5.760 24LYS HB1 349 4.781 2.551 5.719 24LYS HB2 350 4.758 2.676 5.821 24LYS CG 351 4.943 2.587 5.842 24LYS HG1 352 4.988 2.668 5.880 24LYS HG2 353 5.007 2.538 5.783 24LYS CD 354 4.901 2.496 5.956 24LYS HD1 355 4.854 2.416 5.918 24LYS HD2 356 4.838 2.546 6.016 24LYS CE 357 5.021 2.449 6.037 24LYS HE1 358 5.068 2.529 6.075 24LYS HE2 359 5.083 2.399 5.977 24LYS NZ 360 4.980 2.360 6.149 24LYS HZ1 361 5.062 2.331 6.200 24LYS HZ2 362 4.918 2.408 6.210 24LYS HZ3 363 4.934 2.279 6.112 24LYS C 364 4.959 2.667 5.550 24LYS O 365 5.062 2.725 5.518 25ASP N 366 4.929 2.544 5.509 25ASP H 367 4.843 2.502 5.540 25ASP CA 368 5.017 2.470 5.420 25ASP HA 369 5.097 2.443 5.474 25ASP CB 370 4.947 2.344 5.369 25ASP HB1 371 5.001 2.305 5.294 25ASP HB2 372 4.856 2.369 5.335 25ASP CG 373 4.931 2.238 5.476 25ASP OD1 374 4.996 2.250 5.582 25ASP OD2 375 4.853 2.143 5.455 25ASP C 376 5.059 2.560 5.306 25ASP O 377 5.176 2.562 5.267 26ALA N 378 4.964 2.637 5.254 26ALA H 379 4.871 2.631 5.289 26ALA CA 380 4.995 2.730 5.147 26ALA HA 381 5.042 2.677 5.076 26ALA CB 382 4.867 2.788 5.088 26ALA HB1 383 4.890 2.852 5.015 26ALA HB2 384 4.811 2.714 5.052 26ALA HB3 385 4.817 2.836 5.160 26ALA C 386 5.086 2.842 5.200 26ALA O 387 5.179 2.884 5.132 27LEU N 388 5.058 2.889 5.321 27LEU H 389 4.981 2.850 5.372 27LEU CA 390 5.138 2.997 5.381 27LEU HA 391 5.132 3.074 5.318 27LEU CB 392 5.082 3.035 5.518 27LEU HB1 393 5.081 2.953 5.575 27LEU HB2 394 4.989 3.068 5.505 27LEU CG 395 5.159 3.143 5.595 27LEU HG 396 5.254 3.113 5.606 27LEU CD1 397 5.159 3.274 5.517 27LEU HD11 398 5.210 3.343 5.568 27LEU HD12 399 5.203 3.260 5.428 27LEU HD13 400 5.065 3.305 5.503 27LEU CD2 401 5.099 3.164 5.733 27LEU HD21 402 5.150 3.235 5.781 27LEU HD22 403 5.003 3.193 5.724 27LEU HD23 404 5.104 3.079 5.785 27LEU C 405 5.284 2.956 5.394 27LEU O 406 5.374 3.031 5.357 28SER N 407 5.306 2.837 5.444 28SER H 408 5.229 2.779 5.472 28SER CA 409 5.442 2.787 5.459 28SER HA 410 5.490 2.850 5.520 28SER CB 411 5.442 2.648 5.523 28SER HB1 412 5.389 2.648 5.608 28SER HB2 413 5.535 2.618 5.541 28SER OG 414 5.383 2.553 5.436 28SER HG 415 5.384 2.463 5.480 28SER C 416 5.508 2.786 5.322 28SER O 417 5.629 2.800 5.309 29SER N 418 5.425 2.769 5.220 29SER H 419 5.327 2.758 5.236 29SER CA 420 5.477 2.766 5.082 29SER HA 421 5.556 2.705 5.085 29SER CB 422 5.371 2.712 4.986 29SER HB1 423 5.404 2.716 4.892 29SER HB2 424 5.286 2.763 4.995 29SER OG 425 5.341 2.576 5.015 29SER HG 426 5.272 2.543 4.951 29SER C 427 5.522 2.906 5.037 29SER O 428 5.563 2.924 4.922 30VAL N 429 5.512 3.005 5.125 30VAL H 430 5.477 2.985 5.217 30VAL CA 431 5.550 3.143 5.090 30VAL HA 432 5.487 3.166 5.016 30VAL CB 433 5.532 3.238 5.210 30VAL HB 434 5.443 3.222 5.251 30VAL CG1 435 5.638 3.212 5.316 30VAL HG11 436 5.625 3.274 5.392 30VAL HG12 437 5.630 3.117 5.348 30VAL HG13 438 5.729 3.226 5.276 30VAL CG2 439 5.538 3.383 5.163 30VAL HG21 440 5.526 3.444 5.242 30VAL HG22 441 5.626 3.401 5.120 30VAL HG23 442 5.465 3.400 5.097 30VAL C 443 5.695 3.152 5.040 30VAL O 444 5.743 3.261 5.009 31GLN N 445 5.764 3.038 5.032 31GLN H 446 5.720 2.953 5.059 31GLN CA 447 5.904 3.036 4.986 31GLN HA 448 5.959 3.073 5.061 31GLN CB 449 5.948 2.893 4.955 31GLN HB1 450 5.892 2.858 4.879 31GLN HB2 451 5.932 2.837 5.037 31GLN CG 452 6.094 2.879 4.917 31GLN HG1 453 6.113 2.940 4.840 31GLN HG2 454 6.112 2.784 4.890 31GLN CD 455 6.188 2.916 5.031 31GLN OE1 456 6.174 2.866 5.142 31GLN NE2 457 6.284 3.003 5.002 31GLN HE21 458 6.291 3.041 4.910 31GLN HE22 459 6.349 3.031 5.073 31GLN C 460 5.923 3.124 4.862 31GLN O 461 6.035 3.157 4.825 32GLU N 462 5.813 3.164 4.802 32GLU H 463 5.723 3.134 4.836 32GLU CA 464 5.820 3.251 4.687 32GLU HA 465 5.892 3.215 4.627 32GLU CB 466 5.687 3.251 4.610 32GLU HB1 467 5.691 3.320 4.539 32GLU HB2 468 5.614 3.273 4.674 32GLU CG 469 5.654 3.117 4.545 32GLU HG1 470 5.650 3.047 4.615 32GLU HG2 471 5.726 3.095 4.479 32GLU CD 472 5.521 3.120 4.472 32GLU OE1 473 5.452 3.224 4.478 32GLU OE2 474 5.486 3.018 4.409 32GLU C 475 5.856 3.392 4.733 32GLU O 476 5.878 3.482 4.652 33SER N 477 5.863 3.409 4.865 33SER H 478 5.844 3.333 4.926 33SER CA 479 5.899 3.539 4.922 33SER HA 480 5.832 3.604 4.888 33SER CB 481 5.893 3.534 5.075 33SER HB1 482 5.804 3.498 5.105 33SER HB2 483 5.907 3.625 5.114 33SER OG 484 5.993 3.449 5.128 33SER HG 485 5.987 3.448 5.227 33SER C 486 6.038 3.579 4.876 33SER O 487 6.076 3.696 4.884 34GLN N 488 6.114 3.482 4.827 34GLN H 489 6.078 3.389 4.822 34GLN CA 490 6.248 3.512 4.781 34GLN HA 491 6.299 3.542 4.862 34GLN CB 492 6.314 3.386 4.724 34GLN HB1 493 6.263 3.358 4.643 34GLN HB2 494 6.310 3.314 4.793 34GLN CG 495 6.459 3.405 4.684 34GLN HG1 496 6.465 3.481 4.619 34GLN HG2 497 6.492 3.321 4.640 34GLN CD 498 6.549 3.435 4.802 34GLN OE1 499 6.547 3.364 4.903 34GLN NE2 500 6.629 3.541 4.791 34GLN HE21 501 6.627 3.596 4.707 34GLN HE22 502 6.690 3.566 4.866 34GLN C 503 6.245 3.623 4.677 34GLN O 504 6.348 3.679 4.641 35VAL N 505 6.124 3.655 4.628 35VAL H 506 6.044 3.606 4.661 35VAL CA 507 6.107 3.760 4.527 35VAL HA 508 6.145 3.720 4.444 35VAL CB 509 5.959 3.795 4.506 35VAL HB 510 5.906 3.711 4.496 35VAL CG1 511 5.905 3.870 4.627 35VAL HG11 512 5.808 3.892 4.612 35VAL HG12 513 5.913 3.812 4.708 35VAL HG13 514 5.957 3.954 4.640 35VAL CG2 515 5.941 3.878 4.380 35VAL HG21 516 5.844 3.900 4.368 35VAL HG22 517 5.994 3.962 4.387 35VAL HG23 518 5.973 3.825 4.301 35VAL C 519 6.186 3.886 4.564 35VAL O 520 6.199 3.978 4.484 36ALA N 521 6.242 3.889 4.685 36ALA H 522 6.229 3.813 4.748 36ALA CA 523 6.323 4.004 4.727 36ALA HA 524 6.260 4.081 4.744 36ALA CB 525 6.397 3.973 4.856 36ALA HB1 526 6.451 4.052 4.883 36ALA HB2 527 6.331 3.951 4.928 36ALA HB3 528 6.457 3.894 4.842 36ALA C 529 6.420 4.040 4.615 36ALA O 530 6.411 4.148 4.557 37GLN N 531 6.513 3.949 4.587 37GLN H 532 6.515 3.863 4.638 37GLN CA 533 6.613 3.974 4.483 37GLN HA 534 6.681 4.034 4.524 37GLN CB 535 6.679 3.843 4.441 37GLN HB1 536 6.609 3.784 4.399 37GLN HB2 537 6.716 3.798 4.522 37GLN CG 538 6.792 3.860 4.340 37GLN HG1 539 6.757 3.910 4.261 37GLN HG2 540 6.823 3.769 4.311 37GLN CD 541 6.910 3.935 4.397 37GLN OE1 542 6.964 3.898 4.501 37GLN NE2 543 6.950 4.042 4.329 37GLN HE21 544 6.903 4.068 4.245 37GLN HE22 545 7.028 4.096 4.363 37GLN C 546 6.547 4.043 4.363 37GLN O 547 6.606 4.132 4.303 38GLN N 548 6.424 4.002 4.330 38GLN H 549 6.380 3.929 4.382 38GLN CA 550 6.352 4.065 4.219 38GLN HA 551 6.408 4.055 4.136 38GLN CB 552 6.219 3.993 4.194 38GLN HB1 553 6.162 4.005 4.275 38GLN HB2 554 6.238 3.896 4.181 38GLN CG 555 6.143 4.045 4.074 38GLN HG1 556 6.130 4.144 4.083 38GLN HG2 557 6.053 4.000 4.071 38GLN CD 558 6.214 4.017 3.943 38GLN OE1 559 6.249 3.903 3.913 38GLN NE2 560 6.237 4.122 3.865 38GLN HE21 561 6.206 4.213 3.893 38GLN HE22 562 6.284 4.111 3.777 38GLN C 563 6.332 4.212 4.253 38GLN O 564 6.380 4.300 4.182 39ALA N 565 6.264 4.237 4.364 39ALA H 566 6.227 4.162 4.418 39ALA CA 567 6.242 4.375 4.407 39ALA HA 568 6.177 4.418 4.345 39ALA CB 569 6.182 4.377 4.547 39ALA HB1 570 6.168 4.472 4.575 39ALA HB2 571 6.094 4.329 4.546 39ALA HB3 572 6.244 4.332 4.611 39ALA C 573 6.376 4.447 4.402 39ALA O 574 6.390 4.549 4.335 40ARG N 575 6.474 4.391 4.472 40ARG H 576 6.456 4.308 4.525 40ARG CA 577 6.609 4.449 4.474 40ARG HA 578 6.600 4.541 4.512 40ARG CB 579 6.702 4.366 4.563 40ARG HB1 580 6.795 4.398 4.550 40ARG HB2 581 6.695 4.270 4.536 40ARG CG 582 6.670 4.376 4.712 40ARG HG1 583 6.575 4.346 4.727 40ARG HG2 584 6.680 4.470 4.741 40ARG CD 585 6.763 4.288 4.794 40ARG HD1 586 6.857 4.316 4.779 40ARG HD2 587 6.752 4.192 4.766 40ARG NE 588 6.734 4.297 4.937 40ARG HE 589 6.666 4.364 4.967 40ARG CZ 590 6.793 4.222 5.030 40ARG NH1 591 6.761 4.238 5.157 40ARG HH11 592 6.693 4.306 5.184 40ARG HH12 593 6.806 4.182 5.227 40ARG NH2 594 6.884 4.133 4.995 40ARG HH21 595 6.908 4.121 4.898 40ARG HH22 596 6.929 4.076 5.064 40ARG C 597 6.664 4.457 4.332 40ARG O 598 6.770 4.514 4.307 41GLY N 599 6.587 4.402 4.241 41GLY H 600 6.502 4.356 4.270 41GLY CA 601 6.620 4.405 4.100 41GLY HA1 602 6.568 4.332 4.054 41GLY HA2 603 6.718 4.388 4.090 41GLY C 604 6.583 4.542 4.042 41GLY O 605 6.667 4.613 3.989 42TRP N 606 6.454 4.574 4.050 42TRP H 607 6.391 4.511 4.095 42TRP CA 608 6.402 4.701 3.995 42TRP HA 609 6.401 4.687 3.896 42TRP CB 610 6.261 4.728 4.047 42TRP HB1 611 6.236 4.822 4.024 42TRP HB2 612 6.261 4.717 4.147 42TRP CG 613 6.157 4.637 3.990 42TRP CD1 614 6.092 4.536 4.054 42TRP HD1 615 6.107 4.510 4.149 42TRP NE1 616 6.003 4.475 3.969 42TRP HE1 617 5.944 4.398 3.992 42TRP CE2 618 6.010 4.537 3.847 42TRP CZ2 619 5.940 4.511 3.729 42TRP HZ2 620 5.872 4.437 3.724 42TRP CH2 621 5.966 4.589 3.621 42TRP HH2 622 5.918 4.573 3.535 42TRP CZ3 623 6.061 4.692 3.627 42TRP HZ3 624 6.078 4.748 3.546 42TRP CE3 625 6.131 4.719 3.744 42TRP HE3 626 6.198 4.792 3.747 42TRP CD2 627 6.105 4.640 3.856 42TRP C 628 6.494 4.819 4.028 42TRP O 629 6.488 4.923 3.964 43VAL N 630 6.580 4.801 4.128 43VAL H 631 6.581 4.714 4.177 43VAL CA 632 6.673 4.907 4.166 43VAL HA 633 6.615 4.985 4.190 43VAL CB 634 6.758 4.867 4.288 43VAL HB 635 6.801 4.779 4.270 43VAL CG1 636 6.868 4.969 4.312 43VAL HG11 637 6.922 4.942 4.391 43VAL HG12 638 6.927 4.974 4.231 43VAL HG13 639 6.827 5.059 4.329 43VAL CG2 640 6.670 4.853 4.411 43VAL HG21 641 6.727 4.826 4.489 43VAL HG22 642 6.625 4.940 4.430 43VAL HG23 643 6.601 4.782 4.395 43VAL C 644 6.764 4.943 4.047 43VAL O 645 6.783 5.060 4.014 44THR N 646 6.820 4.839 3.986 44THR H 647 6.800 4.747 4.018 44THR CA 648 6.910 4.858 3.873 44THR HA 649 6.984 4.916 3.908 44THR CB 650 6.968 4.724 3.824 44THR HB 651 6.895 4.661 3.801 44THR CG2 652 7.059 4.747 3.704 44THR HG21 653 7.096 4.659 3.673 44THR HG22 654 7.007 4.789 3.630 44THR HG23 655 7.135 4.807 3.730 44THR OG1 656 7.044 4.663 3.929 44THR HG1 657 7.082 4.576 3.897 44THR C 658 6.837 4.929 3.760 44THR O 659 6.893 5.016 3.694 45ASP N 660 6.712 4.891 3.740 45ASP H 661 6.672 4.820 3.797 45ASP CA 662 6.632 4.952 3.635 45ASP HA 663 6.693 4.959 3.556 45ASP CB 664 6.511 4.865 3.602 45ASP HB1 665 6.451 4.915 3.540 45ASP HB2 666 6.462 4.843 3.686 45ASP CG 667 6.550 4.734 3.535 45ASP OD1 668 6.658 4.730 3.471 45ASP OD2 669 6.474 4.636 3.546 45ASP C 670 6.586 5.092 3.677 45ASP O 671 6.499 5.151 3.613 46GLY N 672 6.647 5.145 3.783 46GLY H 673 6.718 5.093 3.831 46GLY CA 674 6.612 5.279 3.829 46GLY HA1 675 6.624 5.343 3.752 46GLY HA2 676 6.674 5.304 3.903 46GLY C 677 6.467 5.284 3.877 46GLY O 678 6.389 5.368 3.833 47PHE N 679 6.433 5.196 3.971 47PHE H 680 6.500 5.130 4.004 47PHE CA 681 6.297 5.194 4.026 47PHE HA 682 6.239 5.159 3.953 47PHE CB 683 6.290 5.102 4.148 47PHE HB1 684 6.331 5.014 4.124 47PHE HB2 685 6.194 5.088 4.172 47PHE CG 686 6.362 5.155 4.269 47PHE CD1 687 6.296 5.236 4.359 47PHE HD1 688 6.200 5.260 4.344 47PHE CE1 689 6.362 5.285 4.470 47PHE HE1 690 6.313 5.344 4.535 47PHE CZ 691 6.494 5.253 4.492 47PHE HZ 692 6.542 5.288 4.573 47PHE CE2 693 6.560 5.172 4.403 47PHE HE2 694 6.656 5.148 4.419 47PHE CD2 695 6.494 5.123 4.292 47PHE HD2 696 6.543 5.064 4.227 47PHE C 697 6.252 5.335 4.064 47PHE O 698 6.133 5.362 4.075 48SER N 699 6.349 5.423 4.087 48SER H 700 6.445 5.395 4.076 48SER CA 701 6.319 5.560 4.127 48SER HA 702 6.286 5.553 4.221 48SER CB 703 6.444 5.647 4.120 48SER HB1 704 6.519 5.606 4.173 48SER HB2 705 6.426 5.739 4.156 48SER OG 706 6.489 5.661 3.987 48SER HG 707 6.571 5.719 3.985 48SER C 708 6.210 5.619 4.040 48SER O 709 6.138 5.709 4.083 49SER N 710 6.198 5.570 3.917 49SER H 711 6.258 5.496 3.888 49SER CA 712 6.097 5.622 3.826 49SER HA 713 6.124 5.717 3.808 49SER CB 714 6.098 5.542 3.695 49SER HB1 715 6.190 5.537 3.657 49SER HB2 716 6.035 5.583 3.629 49SER OG 717 6.054 5.409 3.717 49SER HG 718 6.055 5.359 3.630 49SER C 719 5.960 5.618 3.890 49SER O 720 5.864 5.676 3.837 50LEU N 721 5.950 5.553 4.006 50LEU H 722 6.030 5.508 4.044 50LEU CA 723 5.823 5.548 4.078 50LEU HA 724 5.751 5.540 4.009 50LEU CB 725 5.819 5.425 4.169 50LEU HB1 726 5.736 5.432 4.225 50LEU HB2 727 5.900 5.428 4.228 50LEU CG 728 5.816 5.289 4.099 50LEU HG 729 5.895 5.283 4.038 50LEU CD1 730 5.826 5.176 4.201 50LEU HD11 731 5.824 5.088 4.153 50LEU HD12 732 5.912 5.185 4.252 50LEU HD13 733 5.749 5.182 4.264 50LEU CD2 734 5.690 5.274 4.015 50LEU HD21 735 5.690 5.184 3.970 50LEU HD22 736 5.610 5.281 4.074 50LEU HD23 737 5.687 5.346 3.946 50LEU C 738 5.805 5.677 4.158 50LEU O 739 5.693 5.723 4.178 51LYS N 740 5.917 5.733 4.205 51LYS H 741 6.005 5.690 4.185 51LYS CA 742 5.914 5.857 4.284 51LYS HA 743 5.863 5.835 4.367 51LYS CB 744 6.056 5.900 4.320 51LYS HB1 745 6.107 5.918 4.235 51LYS HB2 746 6.101 5.826 4.370 51LYS CG 747 6.063 6.026 4.405 51LYS HG1 748 6.010 6.011 4.488 51LYS HG2 749 6.024 6.102 4.354 51LYS CD 750 6.206 6.059 4.443 51LYS HD1 751 6.260 6.072 4.359 51LYS HD2 752 6.245 5.984 4.495 51LYS CE 753 6.213 6.186 4.526 51LYS HE1 754 6.160 6.174 4.610 51LYS HE2 755 6.175 6.262 4.474 51LYS NZ 756 6.353 6.220 4.564 51LYS HZ1 757 6.353 6.304 4.619 51LYS HZ2 758 6.392 6.146 4.617 51LYS HZ3 759 6.407 6.235 4.481 51LYS C 760 5.842 5.967 4.208 51LYS O 761 5.732 6.007 4.244 52ASP N 762 5.906 6.017 4.102 52ASP H 763 5.996 5.981 4.077 52ASP CA 764 5.846 6.124 4.022 52ASP HA 765 5.858 6.209 4.074 52ASP CB 766 5.919 6.138 3.888 52ASP HB1 767 5.865 6.198 3.828 52ASP HB2 768 5.927 6.048 3.846 52ASP CG 769 6.058 6.197 3.903 52ASP OD1 770 6.088 6.252 4.011 52ASP OD2 771 6.136 6.188 3.806 52ASP C 772 5.698 6.095 4.001 52ASP O 773 5.612 6.177 4.035 53TYR N 774 5.668 5.979 3.945 53TYR H 775 5.742 5.917 3.919 53TYR CA 776 5.530 5.941 3.919 53TYR HA 777 5.492 6.013 3.860 53TYR CB 778 5.524 5.806 3.847 53TYR HB1 779 5.567 5.737 3.904 53TYR HB2 780 5.573 5.814 3.761 53TYR CG 781 5.383 5.760 3.816 53TYR CD1 782 5.313 5.813 3.709 53TYR HD1 783 5.355 5.883 3.651 53TYR CE1 784 5.184 5.771 3.680 53TYR HE1 785 5.135 5.810 3.602 53TYR CZ 786 5.124 5.675 3.759 53TYR OH 787 4.997 5.633 3.730 53TYR HH 788 4.969 5.563 3.796 53TYR CE2 789 5.193 5.620 3.867 53TYR HE2 790 5.150 5.550 3.924 53TYR CD2 791 5.321 5.663 3.894 53TYR HD2 792 5.371 5.624 3.972 53TYR C 793 5.451 5.936 4.050 53TYR O 794 5.338 5.984 4.057 54TRP N 795 5.510 5.877 4.154 54TRP H 796 5.602 5.839 4.143 54TRP CA 797 5.443 5.868 4.283 54TRP HA 798 5.353 5.828 4.264 54TRP CB 799 5.521 5.777 4.378 54TRP HB1 800 5.613 5.815 4.391 54TRP HB2 801 5.529 5.686 4.337 54TRP CG 802 5.458 5.761 4.513 54TRP CD1 803 5.363 5.670 4.548 54TRP HD1 804 5.324 5.601 4.487 54TRP NE1 805 5.329 5.687 4.680 54TRP HE1 806 5.261 5.632 4.730 54TRP CE2 807 5.402 5.791 4.732 54TRP CZ2 808 5.402 5.845 4.861 54TRP HZ2 809 5.343 5.808 4.932 54TRP CH2 810 5.486 5.950 4.885 54TRP HH2 811 5.489 5.991 4.976 54TRP CZ3 812 5.569 6.001 4.784 54TRP HZ3 813 5.630 6.078 4.805 54TRP CE3 814 5.569 5.947 4.657 54TRP HE3 815 5.629 5.985 4.586 54TRP CD2 816 5.484 5.840 4.629 54TRP C 817 5.426 6.007 4.344 54TRP O 818 5.315 6.048 4.378 55SER N 819 5.537 6.079 4.357 55SER H 820 5.624 6.039 4.327 55SER CA 821 5.536 6.213 4.414 55SER HA 822 5.514 6.202 4.511 55SER CB 823 5.673 6.279 4.399 55SER HB1 824 5.745 6.220 4.438 55SER HB2 825 5.675 6.368 4.445 55SER OG 826 5.705 6.301 4.263 55SER HG 827 5.795 6.344 4.256 55SER C 828 5.429 6.298 4.346 55SER O 829 5.367 6.383 4.410 56THR N 830 5.407 6.273 4.218 56THR H 831 5.461 6.203 4.171 56THR CA 832 5.306 6.348 4.144 56THR HA 833 5.318 6.443 4.173 56THR CB 834 5.327 6.336 3.992 56THR HB 835 5.253 6.381 3.942 56THR CG2 836 5.462 6.396 3.952 56THR HG21 837 5.474 6.387 3.853 56THR HG22 838 5.465 6.492 3.978 56THR HG23 839 5.535 6.346 3.999 56THR OG1 840 5.325 6.198 3.953 56THR HG1 841 5.339 6.191 3.854 56THR C 842 5.167 6.297 4.181 56THR O 843 5.094 6.362 4.256 57VAL N 844 5.129 6.180 4.127 57VAL H 845 5.193 6.131 4.067 57VAL CA 846 4.997 6.122 4.155 57VAL HA 847 4.935 6.170 4.093 57VAL CB 848 4.995 5.971 4.124 57VAL HB 849 5.070 5.926 4.173 57VAL CG1 850 4.864 5.909 4.172 57VAL HG11 851 4.864 5.811 4.151 57VAL HG12 852 4.855 5.922 4.271 57VAL HG13 853 4.787 5.953 4.125 57VAL CG2 854 5.014 5.946 3.975 57VAL HG21 855 5.012 5.848 3.957 57VAL HG22 856 4.941 5.991 3.924 57VAL HG23 857 5.103 5.984 3.946 57VAL C 858 4.955 6.146 4.299 57VAL O 859 4.858 6.216 4.326 58GLU N 860 5.029 6.087 4.393 58GLU H 861 5.107 6.031 4.366 58GLU CA 862 4.998 6.104 4.534 58GLU HA 863 4.916 6.048 4.551 58GLU CB 864 5.113 6.054 4.621 58GLU HB1 865 5.195 6.109 4.600 58GLU HB2 866 5.131 5.958 4.599 58GLU CG 867 5.087 6.064 4.771 58GLU HG1 868 5.062 6.158 4.793 58GLU HG2 869 5.171 6.040 4.820 58GLU CD 870 4.976 5.972 4.817 58GLU OE1 871 4.946 5.875 4.745 58GLU OE2 872 4.920 5.997 4.925 58GLU C 873 4.967 6.250 4.565 58GLU O 874 4.858 6.283 4.611 59ASP N 875 5.064 6.337 4.540 59ASP H 876 5.151 6.305 4.503 59ASP CA 877 5.045 6.480 4.566 59ASP HA 878 5.026 6.487 4.664 59ASP CB 879 5.172 6.558 4.531 59ASP HB1 880 5.151 6.655 4.531 59ASP HB2 881 5.203 6.530 4.440 59ASP CG 882 5.284 6.533 4.630 59ASP OD1 883 5.257 6.478 4.739 59ASP OD2 884 5.400 6.568 4.599 59ASP C 885 4.927 6.532 4.486 59ASP O 886 4.843 6.605 4.539 60LYS N 887 4.921 6.497 4.358 60LYS H 888 4.992 6.437 4.321 60LYS CA 889 4.813 6.543 4.272 60LYS HA 890 4.809 6.642 4.284 60LYS CB 891 4.842 6.508 4.126 60LYS HB1 892 4.761 6.528 4.072 60LYS HB2 893 4.863 6.410 4.120 60LYS CG 894 4.959 6.585 4.067 60LYS HG1 895 5.042 6.565 4.120 60LYS HG2 896 4.940 6.683 4.071 60LYS CD 897 4.983 6.546 3.922 60LYS HD1 898 4.901 6.565 3.869 60LYS HD2 899 5.003 6.448 3.917 60LYS CE 900 5.100 6.622 3.862 60LYS HE1 901 5.182 6.604 3.915 60LYS HE2 902 5.080 6.720 3.864 60LYS NZ 903 5.126 6.583 3.721 60LYS HZ1 904 5.203 6.636 3.685 60LYS HZ2 905 5.147 6.486 3.716 60LYS HZ3 906 5.044 6.602 3.665 60LYS C 907 4.680 6.483 4.314 60LYS O 908 4.574 6.522 4.265 61PHE N 909 4.686 6.389 4.406 61PHE H 910 4.774 6.360 4.443 61PHE CA 911 4.564 6.327 4.454 61PHE HA 912 4.515 6.292 4.374 61PHE CB 913 4.596 6.210 4.548 61PHE HB1 914 4.646 6.245 4.627 61PHE HB2 915 4.653 6.144 4.499 61PHE CG 916 4.474 6.138 4.598 61PHE CD1 917 4.405 6.051 4.516 61PHE HD1 918 4.435 6.037 4.422 61PHE CE1 919 4.293 5.984 4.562 61PHE HE1 920 4.243 5.922 4.502 61PHE CZ 921 4.250 6.003 4.692 61PHE HZ 922 4.169 5.955 4.726 61PHE CE2 923 4.318 6.089 4.774 61PHE HE2 924 4.287 6.103 4.868 61PHE CD2 925 4.430 6.156 4.728 61PHE HD2 926 4.479 6.218 4.789 61PHE C 927 4.480 6.433 4.524 61PHE O 928 4.357 6.421 4.532 62SER N 929 4.547 6.537 4.572 62SER H 930 4.646 6.541 4.562 62SER CA 931 4.476 6.647 4.639 62SER HA 932 4.417 6.603 4.707 62SER CB 933 4.576 6.740 4.709 62SER HB1 934 4.639 6.779 4.643 62SER HB2 935 4.627 6.690 4.779 62SER OG 936 4.509 6.847 4.773 62SER HG 937 4.576 6.906 4.818 62SER C 938 4.391 6.725 4.540 62SER O 939 4.272 6.746 4.561 63GLU N 940 4.455 6.770 4.432 63GLU H 941 4.552 6.749 4.420 63GLU CA 942 4.386 6.849 4.330 63GLU HA 943 4.329 6.912 4.381 63GLU CB 944 4.488 6.925 4.243 63GLU HB1 945 4.439 6.966 4.167 63GLU HB2 946 4.555 6.859 4.208 63GLU CG 947 4.563 7.034 4.317 63GLU HG1 948 4.611 6.994 4.395 63GLU HG2 949 4.496 7.102 4.350 63GLU CD 950 4.664 7.105 4.229 63GLU OE1 951 4.686 7.059 4.115 63GLU OE2 952 4.720 7.207 4.274 63GLU C 953 4.298 6.763 4.241 63GLU O 954 4.196 6.809 4.190 64PHE N 955 4.338 6.638 4.219 64PHE H 956 4.422 6.605 4.263 64PHE CA 957 4.263 6.549 4.132 64PHE HA 958 4.261 6.594 4.043 64PHE CB 959 4.331 6.413 4.122 64PHE HB1 960 4.336 6.372 4.213 64PHE HB2 961 4.424 6.426 4.086 64PHE CG 962 4.261 6.316 4.031 64PHE CD1 963 4.273 6.326 3.894 64PHE HD1 964 4.330 6.398 3.854 64PHE CE1 965 4.208 6.237 3.811 64PHE HE1 966 4.218 6.244 3.711 64PHE CZ 967 4.130 6.137 3.865 64PHE HZ 968 4.083 6.072 3.805 64PHE CE2 969 4.117 6.126 4.001 64PHE HE2 970 4.060 6.054 4.040 64PHE CD2 971 4.182 6.215 4.084 64PHE HD2 972 4.172 6.207 4.183 64PHE C 973 4.120 6.533 4.183 64PHE O 974 4.037 6.470 4.117 65TRP N 975 4.092 6.590 4.299 65TRP H 976 4.163 6.640 4.348 65TRP CA 977 3.958 6.582 4.355 65TRP HA 978 3.926 6.489 4.336 65TRP CB 979 3.962 6.605 4.506 65TRP HB1 980 3.998 6.696 4.524 65TRP HB2 981 4.021 6.536 4.548 65TRP CG 982 3.827 6.595 4.572 65TRP CD1 983 3.766 6.482 4.618 65TRP HD1 984 3.806 6.390 4.614 65TRP NE1 985 3.644 6.513 4.671 65TRP HE1 986 3.580 6.447 4.712 65TRP CE2 987 3.623 6.648 4.660 65TRP CZ2 988 3.514 6.725 4.699 65TRP HZ2 989 3.435 6.684 4.744 65TRP CH2 990 3.520 6.860 4.676 65TRP HH2 991 3.444 6.918 4.703 65TRP CZ3 992 3.632 6.917 4.613 65TRP HZ3 993 3.633 7.016 4.597 65TRP CE3 994 3.740 6.841 4.574 65TRP HE3 995 3.819 6.883 4.530 65TRP CD2 996 3.736 6.703 4.598 65TRP C 997 3.866 6.684 4.287 65TRP O 998 3.758 6.650 4.239 66ASP N 999 3.911 6.809 4.282 66ASP H 1000 4.000 6.831 4.324 66ASP CA 1001 3.835 6.917 4.218 66ASP HA 1002 3.738 6.893 4.230 66ASP CB 1003 3.863 7.051 4.286 66ASP HB1 1004 3.960 7.073 4.275 66ASP HB2 1005 3.842 7.043 4.384 66ASP CG 1006 3.781 7.164 4.228 66ASP OD1 1007 3.714 7.142 4.125 66ASP OD2 1008 3.783 7.275 4.286 66ASP C 1009 3.868 6.924 4.070 66ASP O 1010 3.980 6.957 4.031 67LEU N 1011 3.768 6.894 3.988 67LEU H 1012 3.680 6.868 4.028 67LEU CA 1013 3.783 6.896 3.844 67LEU HA 1014 3.878 6.875 3.824 67LEU CB 1015 3.693 6.791 3.779 67LEU HB1 1016 3.704 6.797 3.680 67LEU HB2 1017 3.598 6.812 3.803 67LEU CG 1018 3.719 6.645 3.819 67LEU HG 1019 3.711 6.638 3.919 67LEU CD1 1020 3.617 6.552 3.756 67LEU HD11 1021 3.636 6.458 3.783 67LEU HD12 1022 3.525 6.578 3.786 67LEU HD13 1023 3.622 6.560 3.656 67LEU CD2 1024 3.860 6.603 3.780 67LEU HD21 1025 3.875 6.508 3.807 67LEU HD22 1026 3.871 6.612 3.681 67LEU HD23 1027 3.926 6.662 3.826 67LEU C 1028 3.749 7.035 3.792 67LEU O 1029 3.733 7.129 3.870 68ASP N 1030 3.742 7.049 3.660 68ASP H 1031 3.757 6.969 3.602 68ASP CA 1032 3.714 7.178 3.599 68ASP HA 1033 3.790 7.238 3.623 68ASP CB 1034 3.709 7.165 3.446 68ASP HB1 1035 3.673 7.249 3.408 68ASP HB2 1036 3.649 7.088 3.423 68ASP CG 1037 3.846 7.139 3.386 68ASP OD1 1038 3.947 7.155 3.458 68ASP OD2 1039 3.852 7.104 3.266 68ASP C 1040 3.582 7.233 3.654 68ASP O 1041 3.507 7.160 3.718 69PRO N 1042 3.555 7.360 3.633 69PRO CD 1043 3.628 7.454 3.540 69PRO HD1 1044 3.613 7.429 3.445 69PRO HD2 1045 3.726 7.455 3.560 69PRO CG 1046 3.564 7.586 3.571 69PRO HG1 1047 3.567 7.646 3.491 69PRO HG2 1048 3.612 7.631 3.647 69PRO CB 1049 3.423 7.557 3.610 69PRO HB1 1050 3.366 7.549 3.528 69PRO HB2 1051 3.387 7.630 3.668 69PRO CA 1052 3.431 7.424 3.686 69PRO HA 1053 3.435 7.436 3.785 69PRO C 1054 3.308 7.339 3.660 69PRO O 1055 3.201 7.363 3.717 70GLU N 1056 3.324 7.236 3.577 70GLU H 1057 3.413 7.221 3.533 70GLU CA 1058 3.214 7.144 3.548 70GLU HA 1059 3.139 7.168 3.610 70GLU CB 1060 3.166 7.161 3.403 70GLU HB1 1061 3.097 7.091 3.385 70GLU HB2 1062 3.245 7.147 3.343 70GLU CG 1063 3.107 7.297 3.373 70GLU HG1 1064 3.096 7.306 3.274 70GLU HG2 1065 3.169 7.368 3.406 70GLU CD 1066 2.971 7.318 3.439 70GLU OE1 1067 2.890 7.223 3.438 70GLU OE2 1068 2.947 7.428 3.491 70GLU C 1069 3.257 7.000 3.574 70GLU O 1070 3.336 6.943 3.498 71VAL N 1071 3.203 6.940 3.680 71VAL H 1072 3.140 6.991 3.738 71VAL CA 1073 3.234 6.802 3.713 71VAL HA 1074 3.321 6.781 3.668 71VAL CB 1075 3.251 6.782 3.865 71VAL HB 1076 3.165 6.806 3.911 71VAL CG1 1077 3.283 6.637 3.896 71VAL HG11 1078 3.294 6.626 3.995 71VAL HG12 1079 3.209 6.578 3.864 71VAL HG13 1080 3.368 6.611 3.850 71VAL CG2 1081 3.360 6.874 3.918 71VAL HG21 1082 3.370 6.860 4.017 71VAL HG22 1083 3.446 6.853 3.872 71VAL HG23 1084 3.335 6.969 3.900 71VAL C 1085 3.123 6.712 3.658 71VAL O 1086 3.024 6.686 3.727 72ARG N 1087 3.140 6.665 3.534 72ARG H 1088 3.223 6.691 3.484 72ARG CA 1089 3.041 6.578 3.470 72ARG HA 1090 2.976 6.554 3.542 72ARG CB 1091 2.971 6.651 3.356 72ARG HB1 1092 2.912 6.586 3.308 72ARG HB2 1093 3.040 6.686 3.293 72ARG CG 1094 2.885 6.768 3.401 72ARG HG1 1095 2.942 6.833 3.452 72ARG HG2 1096 2.812 6.734 3.461 72ARG CD 1097 2.822 6.839 3.283 72ARG HD1 1098 2.758 6.778 3.236 72ARG HD2 1099 2.893 6.869 3.219 72ARG NE 1100 2.747 6.958 3.324 72ARG HE 1101 2.796 7.045 3.329 72ARG CZ 1102 2.618 6.958 3.355 72ARG NH1 1103 2.558 7.071 3.391 72ARG HH11 1104 2.610 7.156 3.395 72ARG HH12 1105 2.461 7.070 3.414 72ARG NH2 1106 2.548 6.845 3.349 72ARG HH21 1107 2.593 6.760 3.322 72ARG HH22 1108 2.451 6.845 3.373 72ARG C 1109 3.107 6.450 3.417 72ARG O 1110 3.224 6.453 3.381 73PRO N 1111 3.036 6.339 3.408 73PRO CD 1112 2.901 6.311 3.463 73PRO HD1 1113 2.835 6.379 3.431 73PRO HD2 1114 2.902 6.310 3.563 73PRO CG 1115 2.868 6.175 3.408 73PRO HG1 1116 2.823 6.183 3.320 73PRO HG2 1117 2.810 6.125 3.472 73PRO CB 1118 2.999 6.105 3.392 73PRO HB1 1119 2.993 6.035 3.320 73PRO HB2 1120 3.026 6.061 3.478 73PRO CA 1121 3.097 6.215 3.353 73PRO HA 1122 3.189 6.200 3.390 73PRO C 1123 3.113 6.226 3.201 73PRO O 1124 3.187 6.148 3.140 74THR N 1125 3.041 6.320 3.140 74THR H 1126 2.982 6.380 3.194 74THR CA 1127 3.046 6.336 2.994 74THR HA 1128 3.053 6.242 2.961 74THR CB 1129 2.918 6.405 2.941 74THR HB 1130 2.904 6.493 2.987 74THR CG2 1131 2.927 6.424 2.791 74THR HG21 1132 2.844 6.469 2.758 74THR HG22 1133 3.006 6.481 2.768 74THR HG23 1134 2.936 6.335 2.746 74THR OG1 1135 2.804 6.325 2.971 74THR HG1 1136 2.722 6.370 2.937 74THR C 1137 3.167 6.416 2.949 74THR O 1138 3.255 6.363 2.882 75SER N 1139 3.168 6.543 2.984 75SER H 1140 3.093 6.580 3.039 75SER CA 1141 3.277 6.631 2.943 75SER HA 1142 3.276 6.629 2.843 75SER CB 1143 3.253 6.773 2.994 75SER HB1 1144 3.332 6.832 2.973 75SER HB2 1145 3.236 6.773 3.092 75SER OG 1146 3.140 6.831 2.931 75SER HG 1147 3.126 6.924 2.966 75SER C 1148 3.410 6.578 2.994 75SER O 1149 3.511 6.585 2.925 76ALA N 1150 3.410 6.524 3.116 76ALA H 1151 3.325 6.521 3.168 76ALA CA 1152 3.532 6.470 3.173 76ALA HA 1153 3.595 6.547 3.184 76ALA CB 1154 3.504 6.408 3.309 76ALA HB1 1155 3.589 6.371 3.347 76ALA HB2 1156 3.468 6.478 3.370 76ALA HB3 1157 3.437 6.334 3.299 76ALA C 1158 3.593 6.366 3.078 76ALA O 1159 3.705 6.384 3.030 77VAL N 1160 3.520 6.258 3.055 77VAL H 1161 3.430 6.249 3.097 77VAL CA 1162 3.570 6.152 2.968 77VAL HA 1163 3.656 6.122 3.009 77VAL CB 1164 3.472 6.033 2.962 77VAL HB 1165 3.381 6.067 2.938 77VAL CG1 1166 3.514 5.934 2.855 77VAL HG11 1167 3.450 5.858 2.852 77VAL HG12 1168 3.516 5.979 2.766 77VAL HG13 1169 3.606 5.900 2.876 77VAL CG2 1170 3.462 5.965 3.098 77VAL HG21 1171 3.398 5.888 3.092 77VAL HG22 1172 3.553 5.931 3.124 77VAL HG23 1173 3.430 6.031 3.166 77VAL C 1174 3.595 6.206 2.827 77VAL O 1175 3.702 6.185 2.771 78ALA N 1176 3.497 6.277 2.772 78ALA H 1177 3.412 6.291 2.823 78ALA CA 1178 3.512 6.335 2.639 78ALA HA 1179 3.543 6.261 2.580 78ALA CB 1180 3.379 6.388 2.589 78ALA HB1 1181 3.390 6.427 2.498 78ALA HB2 1182 3.313 6.312 2.585 78ALA HB3 1183 3.345 6.458 2.651 78ALA C 1184 3.616 6.447 2.641 78ALA O 1185 3.657 6.497 2.537 79ALA N 1186 3.659 6.483 2.762 79ALA H 1187 3.622 6.438 2.843 79ALA CA 1188 3.758 6.589 2.778 79ALA HA 1189 3.839 6.559 2.727 79ALA CB 1190 3.706 6.720 2.720 79ALA HB1 1191 3.775 6.791 2.732 79ALA HB2 1192 3.687 6.708 2.622 79ALA HB3 1193 3.622 6.746 2.767 79ALA C 1194 3.794 6.608 2.925 79ALA OC1 1195 3.732 6.692 2.989 79ALA OC2 1196 3.881 6.537 2.972 9.00078 9.00078 9.00078