REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3m6m_1_E DATA FIRST_RESID 463 DATA SEQUENCE RMLVADDHEA NRMVLQRLXX XXXXKVLCVN GAEQVLDAMA EEDYDAVIVD DATA SEQUENCE LHMPGMNGLD MLKQLRVMQA SGMRYTPVVV LSADVTPEAI RACEQAGARA DATA SEQUENCE FLAKPVVAAK LLDTLADLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 463 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 463 R C 0.000 176.388 176.300 0.146 0.000 0.893 463 R CA 0.000 56.153 56.100 0.088 0.000 0.921 463 R CB 0.000 30.335 30.300 0.058 0.000 0.687 464 M N 3.704 123.375 119.600 0.119 0.000 2.528 464 M HA 0.498 4.978 4.480 -0.000 0.000 0.318 464 M C -0.943 175.362 176.300 0.009 0.000 1.195 464 M CA -1.091 54.245 55.300 0.060 0.000 1.000 464 M CB 1.423 34.031 32.600 0.014 0.000 1.615 464 M HN 0.505 8.795 8.290 -0.000 0.000 0.469 465 L N 2.471 123.609 121.223 -0.141 0.000 2.504 465 L HA 0.558 4.898 4.340 -0.000 0.000 0.265 465 L C -1.442 175.304 176.870 -0.206 0.000 0.975 465 L CA -0.325 54.328 54.840 -0.311 0.000 0.864 465 L CB 1.486 43.062 42.059 -0.806 0.000 1.212 465 L HN 0.446 8.676 8.230 -0.000 0.000 0.416 466 V N 3.426 123.256 119.914 -0.140 0.000 2.513 466 V HA 0.945 5.065 4.120 -0.000 0.000 0.299 466 V C 0.103 176.142 176.094 -0.092 0.000 1.035 466 V CA -0.393 61.846 62.300 -0.100 0.000 0.889 466 V CB 1.458 33.242 31.823 -0.065 0.000 0.988 466 V HN 0.867 9.057 8.190 -0.000 0.000 0.440 467 A N 3.104 125.875 122.820 -0.082 0.000 2.359 467 A HA 0.797 5.117 4.320 -0.000 0.000 0.303 467 A C -1.064 176.494 177.584 -0.043 0.000 1.066 467 A CA -0.412 51.586 52.037 -0.065 0.000 0.730 467 A CB 1.332 20.286 19.000 -0.076 0.000 1.211 467 A HN 0.795 8.945 8.150 -0.000 0.000 0.439 468 D N 1.220 121.604 120.400 -0.026 0.000 2.753 468 D HA 0.175 4.815 4.640 -0.000 0.000 0.224 468 D C -0.288 176.007 176.300 -0.009 0.000 1.213 468 D CA -0.172 53.829 54.000 0.001 0.000 0.833 468 D CB 1.982 42.801 40.800 0.031 0.000 1.607 468 D HN 0.544 8.914 8.370 -0.000 0.000 0.463 469 D N 0.542 120.924 120.400 -0.030 0.000 2.162 469 D HA -0.126 4.514 4.640 -0.000 0.000 0.203 469 D C 0.295 176.501 176.300 -0.157 0.000 0.967 469 D CA 0.897 54.827 54.000 -0.117 0.000 0.840 469 D CB -0.183 40.504 40.800 -0.188 0.000 0.972 469 D HN 0.390 8.760 8.370 -0.000 0.000 0.482 470 H N 1.375 120.440 119.070 -0.007 0.000 2.819 470 H HA 0.095 4.651 4.556 -0.000 0.000 0.303 470 H C 1.049 176.370 175.328 -0.011 0.000 1.058 470 H CA 0.316 56.359 56.048 -0.008 0.000 1.471 470 H CB 1.449 31.207 29.762 -0.007 0.000 1.480 470 H HN 0.323 8.603 8.280 -0.000 0.000 0.517 471 E N 2.582 122.832 120.200 0.083 0.000 2.347 471 E HA -0.065 4.285 4.350 -0.000 0.000 0.196 471 E C 1.749 178.376 176.600 0.046 0.000 1.008 471 E CA 0.986 57.413 56.400 0.044 0.000 0.852 471 E CB 0.133 29.846 29.700 0.023 0.000 0.783 471 E HN 0.560 8.920 8.360 -0.000 0.000 0.505 472 A N 1.156 124.015 122.820 0.065 0.000 1.930 472 A HA -0.052 4.268 4.320 -0.000 0.000 0.215 472 A C 2.029 179.625 177.584 0.021 0.000 1.176 472 A CA 1.125 53.183 52.037 0.034 0.000 0.632 472 A CB -0.494 18.520 19.000 0.024 0.000 0.819 472 A HN 0.269 8.419 8.150 -0.000 0.000 0.445 473 N N -0.492 118.232 118.700 0.040 0.000 2.396 473 N HA -0.071 4.669 4.740 -0.000 0.000 0.180 473 N C 1.804 177.322 175.510 0.013 0.000 1.028 473 N CA 0.556 53.616 53.050 0.016 0.000 0.893 473 N CB -0.103 38.400 38.487 0.027 0.000 0.967 473 N HN 0.472 8.852 8.380 -0.000 0.000 0.440 474 R N 0.527 121.040 120.500 0.021 0.000 2.066 474 R HA 0.077 4.417 4.340 -0.000 0.000 0.232 474 R C 2.162 178.461 176.300 -0.002 0.000 1.131 474 R CA 0.927 57.030 56.100 0.005 0.000 0.955 474 R CB -0.111 30.192 30.300 0.005 0.000 0.851 474 R HN 0.224 8.494 8.270 -0.000 0.000 0.432 475 M N 0.679 120.280 119.600 0.002 0.000 2.288 475 M HA -0.083 4.397 4.480 -0.000 0.000 0.266 475 M C 2.323 178.621 176.300 -0.004 0.000 1.072 475 M CA 1.098 56.397 55.300 -0.001 0.000 1.132 475 M CB -0.019 32.581 32.600 0.001 0.000 1.386 475 M HN 0.081 8.371 8.290 -0.000 0.000 0.432 476 V N -2.198 117.713 119.914 -0.006 0.000 2.809 476 V HA -0.123 3.997 4.120 -0.000 0.000 0.256 476 V C 1.819 177.906 176.094 -0.012 0.000 1.080 476 V CA 1.245 63.539 62.300 -0.010 0.000 1.102 476 V CB -0.895 30.920 31.823 -0.014 0.000 0.705 476 V HN 0.409 8.599 8.190 -0.000 0.000 0.475 477 L N -0.392 120.823 121.223 -0.013 0.000 2.270 477 L HA 0.042 4.382 4.340 -0.000 0.000 0.210 477 L C 2.775 179.637 176.870 -0.013 0.000 1.104 477 L CA 1.264 56.094 54.840 -0.016 0.000 0.804 477 L CB -0.385 41.661 42.059 -0.022 0.000 0.937 477 L HN 0.343 8.573 8.230 -0.000 0.000 0.450 478 Q N 0.194 119.988 119.800 -0.010 0.000 2.291 478 Q HA -0.160 4.180 4.340 -0.000 0.000 0.205 478 Q C 2.169 178.166 176.000 -0.004 0.000 0.970 478 Q CA 1.031 56.830 55.803 -0.006 0.000 0.876 478 Q CB 0.233 28.969 28.738 -0.004 0.000 0.935 478 Q HN 0.458 8.728 8.270 -0.000 0.000 0.455 479 R N 0.205 120.702 120.500 -0.005 0.000 2.055 479 R HA -0.021 4.319 4.340 -0.000 0.000 0.228 479 R C 1.585 177.884 176.300 -0.003 0.000 1.143 479 R CA 0.955 57.053 56.100 -0.003 0.000 0.945 479 R CB -0.603 29.694 30.300 -0.004 0.000 0.841 479 R HN 0.242 8.512 8.270 -0.000 0.000 0.429 488 V N 1.495 121.433 119.914 0.039 0.000 2.638 488 V HA 0.574 4.694 4.120 -0.000 0.000 0.306 488 V C -1.065 175.051 176.094 0.037 0.000 1.052 488 V CA -0.953 61.369 62.300 0.036 0.000 0.885 488 V CB 1.810 33.641 31.823 0.012 0.000 0.999 488 V HN 0.277 8.467 8.190 -0.000 0.000 0.424 489 L N 4.843 126.090 121.223 0.041 0.000 2.333 489 L HA 0.719 5.059 4.340 -0.000 0.000 0.280 489 L C -0.464 176.389 176.870 -0.028 0.000 1.004 489 L CA 0.268 55.125 54.840 0.028 0.000 0.820 489 L CB 1.276 43.389 42.059 0.091 0.000 1.247 489 L HN 0.794 9.024 8.230 -0.000 0.000 0.416 490 C N 3.810 123.097 119.300 -0.021 0.000 2.358 490 C HA 0.840 5.300 4.460 -0.000 0.000 0.342 490 C C -0.031 174.938 174.990 -0.036 0.000 1.234 490 C CA -0.620 58.377 59.018 -0.036 0.000 1.969 490 C CB 1.295 29.022 27.740 -0.022 0.000 2.346 490 C HN 0.684 8.914 8.230 -0.000 0.000 0.525 491 V N 3.340 123.225 119.914 -0.049 0.000 3.049 491 V HA 0.562 4.682 4.120 -0.000 0.000 0.309 491 V C -1.516 174.554 176.094 -0.039 0.000 1.148 491 V CA -0.592 61.683 62.300 -0.042 0.000 0.990 491 V CB 2.598 34.388 31.823 -0.054 0.000 1.039 491 V HN 1.011 9.201 8.190 -0.000 0.000 0.430 492 N N 3.318 121.999 118.700 -0.031 0.000 2.457 492 N HA 0.780 5.520 4.740 -0.000 0.000 0.250 492 N C -0.135 175.355 175.510 -0.033 0.000 0.982 492 N CA 0.317 53.349 53.050 -0.031 0.000 0.941 492 N CB 1.547 40.019 38.487 -0.025 0.000 1.120 492 N HN 1.375 9.755 8.380 -0.000 0.000 0.505 493 G N -0.255 108.522 108.800 -0.038 0.000 2.555 493 G HA2 0.294 4.254 3.960 -0.000 0.000 0.686 493 G HA3 0.294 4.254 3.960 -0.000 0.000 0.686 493 G C 0.123 175.000 174.900 -0.040 0.000 1.275 493 G CA -0.342 44.736 45.100 -0.036 0.000 0.871 493 G HN 0.857 9.147 8.290 -0.000 0.000 0.603 494 A N -0.729 122.069 122.820 -0.035 0.000 2.030 494 A HA 0.350 4.670 4.320 -0.000 0.000 0.215 494 A C 1.823 179.388 177.584 -0.033 0.000 1.164 494 A CA 1.853 53.867 52.037 -0.037 0.000 0.697 494 A CB -0.170 18.810 19.000 -0.032 0.000 0.827 494 A HN 0.710 8.860 8.150 -0.000 0.000 0.457 495 E N -0.461 119.723 120.200 -0.026 0.000 2.216 495 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 495 E C 2.018 178.606 176.600 -0.021 0.000 0.988 495 E CA 0.917 57.305 56.400 -0.020 0.000 0.834 495 E CB -0.006 29.685 29.700 -0.014 0.000 0.772 495 E HN 0.579 8.939 8.360 -0.000 0.000 0.479 496 Q N 0.187 119.971 119.800 -0.026 0.000 2.172 496 Q HA -0.078 4.262 4.340 -0.000 0.000 0.200 496 Q C 2.145 178.122 176.000 -0.038 0.000 0.964 496 Q CA 0.596 56.384 55.803 -0.026 0.000 0.855 496 Q CB -0.156 28.566 28.738 -0.027 0.000 0.918 496 Q HN 0.143 8.413 8.270 -0.000 0.000 0.444 497 V N -0.307 119.573 119.914 -0.058 0.000 2.548 497 V HA -0.163 3.957 4.120 -0.000 0.000 0.249 497 V C 1.649 177.702 176.094 -0.069 0.000 1.055 497 V CA 1.262 63.507 62.300 -0.093 0.000 1.065 497 V CB -0.157 31.597 31.823 -0.116 0.000 0.681 497 V HN 0.372 8.562 8.190 -0.000 0.000 0.462 498 L N 0.020 121.219 121.223 -0.041 0.000 2.093 498 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 498 L C 2.411 179.282 176.870 0.001 0.000 1.085 498 L CA 1.912 56.740 54.840 -0.019 0.000 0.755 498 L CB -0.718 41.332 42.059 -0.015 0.000 0.904 498 L HN 0.322 8.552 8.230 -0.000 0.000 0.435 499 D N -0.000 120.400 120.400 0.000 0.000 2.224 499 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 499 D C 2.179 178.500 176.300 0.036 0.000 0.965 499 D CA 1.304 55.312 54.000 0.014 0.000 0.852 499 D CB 0.121 40.925 40.800 0.008 0.000 0.947 499 D HN 0.322 8.692 8.370 -0.000 0.000 0.494 500 A N 0.497 123.337 122.820 0.034 0.000 1.930 500 A HA -0.042 4.278 4.320 -0.000 0.000 0.215 500 A C 2.191 179.908 177.584 0.222 0.000 1.176 500 A CA 0.687 52.782 52.037 0.096 0.000 0.632 500 A CB -0.383 18.626 19.000 0.014 0.000 0.819 500 A HN 0.104 8.254 8.150 -0.000 0.000 0.445 501 M N -0.559 119.124 119.600 0.139 0.000 2.374 501 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 501 M C 2.275 178.654 176.300 0.132 0.000 1.067 501 M CA 1.124 56.542 55.300 0.196 0.000 1.103 501 M CB -0.208 32.440 32.600 0.080 0.000 1.402 501 M HN 0.493 8.783 8.290 -0.000 0.000 0.444 502 A N -0.424 122.445 122.820 0.083 0.000 2.021 502 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 502 A C 2.084 179.694 177.584 0.044 0.000 1.163 502 A CA 0.930 52.998 52.037 0.051 0.000 0.676 502 A CB -0.346 18.675 19.000 0.034 0.000 0.818 502 A HN 0.393 8.543 8.150 -0.000 0.000 0.453 503 E N 0.173 120.411 120.200 0.063 0.000 2.006 503 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 503 E C -0.027 176.576 176.600 0.004 0.000 0.993 503 E CA 0.919 57.344 56.400 0.041 0.000 0.808 503 E CB 0.087 29.824 29.700 0.062 0.000 0.764 503 E HN 0.482 8.842 8.360 -0.000 0.000 0.449 504 E N 0.620 120.810 120.200 -0.017 0.000 2.433 504 E HA 0.263 4.613 4.350 -0.000 0.000 0.273 504 E C -1.160 175.276 176.600 -0.274 0.000 0.950 504 E CA -0.690 55.612 56.400 -0.164 0.000 0.796 504 E CB 1.338 30.884 29.700 -0.256 0.000 1.330 504 E HN 0.039 8.399 8.360 -0.000 0.000 0.455 505 D N 0.492 120.712 120.400 -0.301 0.000 2.304 505 D HA 0.339 4.979 4.640 -0.000 0.000 0.247 505 D C -0.568 175.448 176.300 -0.474 0.000 1.089 505 D CA 0.372 54.233 54.000 -0.231 0.000 0.910 505 D CB 0.426 41.158 40.800 -0.113 0.000 1.199 505 D HN 0.210 8.580 8.370 -0.000 0.000 0.426 506 Y N -0.163 120.122 120.300 -0.025 0.000 2.576 506 Y HA 0.201 4.751 4.550 0.000 0.000 0.346 506 Y C 1.058 176.937 175.900 -0.036 0.000 1.018 506 Y CA -0.864 57.218 58.100 -0.030 0.000 1.050 506 Y CB 1.671 40.109 38.460 -0.036 0.000 1.280 506 Y HN 0.157 8.437 8.280 -0.000 0.000 0.474 507 D N 0.888 121.368 120.400 0.133 0.000 2.162 507 D HA 0.230 4.870 4.640 -0.000 0.000 0.205 507 D C 0.089 176.408 176.300 0.031 0.000 0.964 507 D CA 1.075 55.111 54.000 0.060 0.000 0.847 507 D CB 0.396 41.224 40.800 0.046 0.000 0.988 507 D HN 0.477 8.847 8.370 -0.000 0.000 0.480 508 A N -0.016 122.824 122.820 0.035 0.000 2.574 508 A HA 0.543 4.863 4.320 -0.000 0.000 0.297 508 A C -1.378 176.178 177.584 -0.046 0.000 1.062 508 A CA -0.564 51.461 52.037 -0.020 0.000 0.686 508 A CB 1.827 20.817 19.000 -0.016 0.000 1.285 508 A HN -0.106 8.044 8.150 -0.000 0.000 0.403 509 V N 2.335 122.198 119.914 -0.085 0.000 2.409 509 V HA 0.450 4.570 4.120 -0.000 0.000 0.291 509 V C -0.561 175.474 176.094 -0.098 0.000 1.020 509 V CA -0.185 62.044 62.300 -0.117 0.000 0.848 509 V CB 1.322 33.060 31.823 -0.141 0.000 0.990 509 V HN 0.671 8.861 8.190 -0.000 0.000 0.430 510 I N 5.359 125.871 120.570 -0.097 0.000 2.321 510 I HA 0.580 4.750 4.170 -0.000 0.000 0.291 510 I C -0.376 175.685 176.117 -0.094 0.000 0.998 510 I CA -0.613 60.635 61.300 -0.088 0.000 1.227 510 I CB 1.679 39.634 38.000 -0.074 0.000 1.368 510 I HN 0.353 8.563 8.210 -0.000 0.000 0.466 511 V N 5.249 125.103 119.914 -0.099 0.000 2.823 511 V HA 0.392 4.512 4.120 -0.000 0.000 0.312 511 V C -1.053 174.980 176.094 -0.102 0.000 1.072 511 V CA -0.455 61.790 62.300 -0.093 0.000 0.937 511 V CB 2.554 34.325 31.823 -0.086 0.000 1.013 511 V HN 0.764 8.954 8.190 -0.000 0.000 0.430 512 D N 3.321 123.677 120.400 -0.074 0.000 2.264 512 D HA 0.207 4.847 4.640 -0.000 0.000 0.250 512 D C 0.637 176.891 176.300 -0.077 0.000 1.113 512 D CA -0.190 53.773 54.000 -0.061 0.000 0.871 512 D CB 1.769 42.570 40.800 0.002 0.000 1.167 512 D HN 0.420 8.790 8.370 -0.000 0.000 0.447 513 L N 4.250 125.403 121.223 -0.118 0.000 2.005 513 L HA 0.026 4.366 4.340 -0.000 0.000 0.207 513 L C 0.369 177.098 176.870 -0.236 0.000 1.072 513 L CA 1.726 56.445 54.840 -0.202 0.000 0.744 513 L CB -0.652 41.237 42.059 -0.283 0.000 0.895 513 L HN 0.526 8.756 8.230 -0.000 0.000 0.433 514 H N 0.477 119.561 119.070 0.025 0.000 2.914 514 H HA 0.430 4.986 4.556 -0.000 0.000 0.264 514 H C -0.533 174.804 175.328 0.014 0.000 1.433 514 H CA 0.021 56.086 56.048 0.030 0.000 1.342 514 H CB -0.140 29.650 29.762 0.047 0.000 1.582 514 H HN 0.212 8.492 8.280 -0.000 0.000 0.525 515 M N 4.077 123.713 119.600 0.060 0.000 2.383 515 M HA 0.332 4.812 4.480 -0.000 0.000 0.325 515 M C -2.340 173.965 176.300 0.008 0.000 1.092 515 M CA -2.121 53.186 55.300 0.012 0.000 0.961 515 M CB 2.277 34.867 32.600 -0.016 0.000 1.672 515 M HN 0.311 8.601 8.290 -0.000 0.000 0.438 516 P HA 0.187 4.607 4.420 -0.000 0.000 0.272 516 P C 0.646 177.938 177.300 -0.014 0.000 1.230 516 P CA 0.573 63.666 63.100 -0.011 0.000 0.788 516 P CB 0.800 32.483 31.700 -0.029 0.000 0.949 517 G N 1.105 109.901 108.800 -0.008 0.000 5.426 517 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.297 517 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.297 517 G C -0.087 174.809 174.900 -0.007 0.000 1.422 517 G CA 0.561 45.656 45.100 -0.009 0.000 0.938 517 G HN 0.744 9.034 8.290 -0.000 0.000 0.754 518 M N 2.196 121.790 119.600 -0.011 0.000 2.327 518 M HA 0.514 4.994 4.480 -0.000 0.000 0.298 518 M C -0.399 175.892 176.300 -0.015 0.000 1.065 518 M CA -0.867 54.427 55.300 -0.011 0.000 0.916 518 M CB 1.595 34.187 32.600 -0.014 0.000 1.630 518 M HN 0.779 9.069 8.290 -0.000 0.000 0.442 519 N N 3.089 121.780 118.700 -0.016 0.000 2.530 519 N HA 0.473 5.213 4.740 -0.000 0.000 0.283 519 N C 0.677 176.163 175.510 -0.040 0.000 1.238 519 N CA -0.099 52.934 53.050 -0.028 0.000 0.971 519 N CB 0.486 38.956 38.487 -0.030 0.000 1.195 519 N HN 0.717 9.097 8.380 -0.000 0.000 0.583 520 G N -0.235 108.529 108.800 -0.061 0.000 2.422 520 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 520 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 520 G C 1.210 176.090 174.900 -0.033 0.000 1.146 520 G CA 0.900 45.966 45.100 -0.056 0.000 0.769 520 G HN 0.483 8.773 8.290 -0.000 0.000 0.547 521 L N 0.921 122.126 121.223 -0.030 0.000 2.046 521 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 521 L C 2.071 178.938 176.870 -0.005 0.000 1.077 521 L CA 2.031 56.866 54.840 -0.008 0.000 0.747 521 L CB -0.433 41.621 42.059 -0.008 0.000 0.896 521 L HN 0.108 8.338 8.230 -0.000 0.000 0.432 522 D N -0.894 119.500 120.400 -0.010 0.000 2.144 522 D HA -0.222 4.418 4.640 -0.000 0.000 0.200 522 D C 2.172 178.467 176.300 -0.008 0.000 0.978 522 D CA 1.466 55.462 54.000 -0.006 0.000 0.833 522 D CB -0.092 40.704 40.800 -0.007 0.000 0.961 522 D HN 0.431 8.801 8.370 -0.000 0.000 0.470 523 M N 0.169 119.760 119.600 -0.015 0.000 2.132 523 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 523 M C 1.804 178.096 176.300 -0.013 0.000 1.065 523 M CA 0.954 56.243 55.300 -0.019 0.000 1.122 523 M CB 0.051 32.632 32.600 -0.031 0.000 1.365 523 M HN -0.052 8.238 8.290 -0.000 0.000 0.411 524 L N 0.837 122.055 121.223 -0.008 0.000 2.012 524 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 524 L C 2.273 179.151 176.870 0.013 0.000 1.073 524 L CA 1.899 56.741 54.840 0.004 0.000 0.748 524 L CB -0.897 41.171 42.059 0.015 0.000 0.891 524 L HN 0.248 8.478 8.230 -0.000 0.000 0.431 525 K N -1.235 119.172 120.400 0.011 0.000 2.097 525 K HA -0.212 4.108 4.320 -0.000 0.000 0.206 525 K C 2.182 178.789 176.600 0.013 0.000 1.049 525 K CA 1.347 57.642 56.287 0.014 0.000 0.933 525 K CB -0.108 32.398 32.500 0.010 0.000 0.717 525 K HN 0.349 8.599 8.250 -0.000 0.000 0.442 526 Q N 0.612 120.417 119.800 0.007 0.000 2.123 526 Q HA -0.013 4.327 4.340 -0.000 0.000 0.199 526 Q C 2.048 178.054 176.000 0.010 0.000 0.966 526 Q CA 0.776 56.584 55.803 0.007 0.000 0.845 526 Q CB 0.170 28.908 28.738 0.001 0.000 0.907 526 Q HN 0.257 8.527 8.270 -0.000 0.000 0.439 527 L N -0.020 121.207 121.223 0.007 0.000 2.093 527 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 527 L C 2.545 179.434 176.870 0.031 0.000 1.085 527 L CA 1.048 55.894 54.840 0.010 0.000 0.755 527 L CB -0.226 41.828 42.059 -0.009 0.000 0.904 527 L HN 0.172 8.402 8.230 -0.000 0.000 0.435 528 R N -0.126 120.397 120.500 0.038 0.000 2.083 528 R HA -0.193 4.147 4.340 -0.000 0.000 0.237 528 R C 2.188 178.517 176.300 0.048 0.000 1.137 528 R CA 2.027 58.161 56.100 0.055 0.000 0.951 528 R CB -0.849 29.480 30.300 0.048 0.000 0.851 528 R HN 0.239 8.509 8.270 -0.000 0.000 0.434 529 V N 0.158 120.092 119.914 0.033 0.000 2.427 529 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 529 V C 1.955 178.067 176.094 0.029 0.000 1.051 529 V CA 2.134 64.451 62.300 0.027 0.000 1.048 529 V CB -0.218 31.616 31.823 0.019 0.000 0.666 529 V HN 0.460 8.650 8.190 -0.000 0.000 0.456 530 M N -0.689 118.929 119.600 0.029 0.000 2.117 530 M HA -0.237 4.243 4.480 -0.000 0.000 0.262 530 M C 2.308 178.633 176.300 0.042 0.000 1.065 530 M CA 2.312 57.630 55.300 0.030 0.000 1.114 530 M CB -0.457 32.158 32.600 0.024 0.000 1.361 530 M HN 0.374 8.664 8.290 -0.000 0.000 0.408 531 Q N -0.095 119.741 119.800 0.059 0.000 2.167 531 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 531 Q C 2.151 178.194 176.000 0.071 0.000 0.970 531 Q CA 1.466 57.322 55.803 0.089 0.000 0.855 531 Q CB -0.196 28.635 28.738 0.154 0.000 0.911 531 Q HN 0.582 8.852 8.270 -0.000 0.000 0.438 532 A N -0.076 122.776 122.820 0.053 0.000 2.066 532 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 532 A C 2.089 179.689 177.584 0.027 0.000 1.157 532 A CA 1.092 53.151 52.037 0.035 0.000 0.670 532 A CB -0.038 18.979 19.000 0.029 0.000 0.804 532 A HN 0.182 8.332 8.150 -0.000 0.000 0.453 533 S N -1.795 113.922 115.700 0.028 0.000 2.446 533 S HA 0.306 4.776 4.470 -0.000 0.000 0.225 533 S C 1.413 176.026 174.600 0.023 0.000 1.016 533 S CA 1.028 59.241 58.200 0.022 0.000 0.943 533 S CB 0.269 63.482 63.200 0.020 0.000 0.786 533 S HN 1.254 9.564 8.310 -0.000 0.000 0.508 534 G N 0.242 109.059 108.800 0.029 0.000 3.288 534 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.219 534 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.219 534 G C -0.010 174.911 174.900 0.035 0.000 0.944 534 G CA -0.463 44.654 45.100 0.029 0.000 0.854 534 G HN 0.300 8.590 8.290 -0.000 0.000 0.632 535 M N 2.041 121.667 119.600 0.042 0.000 2.243 535 M HA 0.416 4.896 4.480 -0.000 0.000 0.341 535 M C 1.020 177.360 176.300 0.066 0.000 1.130 535 M CA -0.554 54.774 55.300 0.046 0.000 1.162 535 M CB 0.670 33.296 32.600 0.042 0.000 1.497 535 M HN 0.304 8.594 8.290 -0.000 0.000 0.456 536 R N 3.269 123.805 120.500 0.060 0.000 2.585 536 R HA -0.081 4.259 4.340 -0.000 0.000 0.275 536 R C -1.530 174.835 176.300 0.108 0.000 1.018 536 R CA 0.034 56.182 56.100 0.079 0.000 1.072 536 R CB 0.261 30.592 30.300 0.052 0.000 0.953 536 R HN 0.688 8.958 8.270 -0.000 0.000 0.419 537 Y N 3.891 124.203 120.300 0.020 0.000 2.377 537 Y HA 0.139 4.689 4.550 -0.000 0.000 0.330 537 Y C -0.440 175.477 175.900 0.029 0.000 1.108 537 Y CA 0.497 58.611 58.100 0.022 0.000 1.308 537 Y CB 0.945 39.415 38.460 0.017 0.000 1.216 537 Y HN 0.706 8.986 8.280 -0.000 0.000 0.518 538 T N 6.921 121.076 114.554 -0.666 0.000 2.879 538 T HA 0.518 4.868 4.350 -0.000 0.000 0.290 538 T C -3.086 171.143 174.700 -0.784 0.000 0.993 538 T CA -2.283 59.497 62.100 -0.532 0.000 0.975 538 T CB 1.791 70.540 68.868 -0.198 0.000 0.981 538 T HN 0.461 8.701 8.240 -0.000 0.000 0.439 539 P HA 0.350 4.770 4.420 -0.000 0.000 0.269 539 P C -0.770 176.430 177.300 -0.166 0.000 1.209 539 P CA -0.379 62.551 63.100 -0.283 0.000 0.776 539 P CB 0.848 32.523 31.700 -0.042 0.000 0.876 540 V N 3.151 123.007 119.914 -0.096 0.000 2.540 540 V HA 0.379 4.499 4.120 -0.000 0.000 0.302 540 V C 0.114 176.189 176.094 -0.031 0.000 1.035 540 V CA -0.870 61.389 62.300 -0.069 0.000 0.873 540 V CB 2.251 34.034 31.823 -0.066 0.000 0.992 540 V HN 0.429 8.619 8.190 -0.000 0.000 0.428 541 V N 5.989 125.874 119.914 -0.049 0.000 2.495 541 V HA 0.693 4.813 4.120 -0.000 0.000 0.298 541 V C -0.559 175.468 176.094 -0.112 0.000 1.031 541 V CA -0.244 62.024 62.300 -0.054 0.000 0.871 541 V CB 2.066 33.862 31.823 -0.045 0.000 0.988 541 V HN 0.669 8.859 8.190 -0.000 0.000 0.432 542 V N 7.697 127.502 119.914 -0.183 0.000 2.472 542 V HA 0.545 4.665 4.120 -0.000 0.000 0.290 542 V C -0.094 175.682 176.094 -0.530 0.000 1.037 542 V CA -0.576 61.525 62.300 -0.331 0.000 0.908 542 V CB 1.499 33.119 31.823 -0.338 0.000 0.985 542 V HN 0.768 8.958 8.190 -0.000 0.000 0.454 543 L N 4.332 125.325 121.223 -0.384 0.000 2.346 543 L HA 0.902 5.242 4.340 -0.000 0.000 0.274 543 L C -0.118 176.597 176.870 -0.259 0.000 1.007 543 L CA -0.205 54.441 54.840 -0.322 0.000 0.818 543 L CB 2.049 44.010 42.059 -0.164 0.000 1.284 543 L HN 0.858 9.088 8.230 -0.000 0.000 0.424 544 S N 0.426 116.015 115.700 -0.185 0.000 2.565 544 S HA 0.554 5.024 4.470 -0.000 0.000 0.274 544 S C 0.029 174.679 174.600 0.082 0.000 1.144 544 S CA -0.179 58.036 58.200 0.025 0.000 0.849 544 S CB 1.598 64.870 63.200 0.120 0.000 1.103 544 S HN 0.683 8.993 8.310 -0.000 0.000 0.455 545 A N 0.494 123.385 122.820 0.118 0.000 2.066 545 A HA 0.204 4.524 4.320 -0.000 0.000 0.218 545 A C 0.694 178.342 177.584 0.106 0.000 1.157 545 A CA 1.245 53.325 52.037 0.073 0.000 0.670 545 A CB -0.755 18.258 19.000 0.023 0.000 0.804 545 A HN 0.842 8.992 8.150 -0.000 0.000 0.453 546 D N -1.064 119.450 120.400 0.191 0.000 2.304 546 D HA 0.320 4.960 4.640 -0.000 0.000 0.250 546 D C 0.203 176.660 176.300 0.261 0.000 1.107 546 D CA 0.289 54.416 54.000 0.212 0.000 0.885 546 D CB 1.510 42.510 40.800 0.333 0.000 1.192 546 D HN -0.084 8.286 8.370 -0.000 0.000 0.436 547 V N 3.202 123.215 119.914 0.165 0.000 3.337 547 V HA 0.128 4.248 4.120 -0.000 0.000 0.307 547 V C 0.587 176.699 176.094 0.030 0.000 1.505 547 V CA 0.065 62.450 62.300 0.141 0.000 1.072 547 V CB 0.373 32.269 31.823 0.121 0.000 0.929 547 V HN 0.698 8.888 8.190 -0.000 0.000 0.455 548 T N 1.900 116.469 114.554 0.026 0.000 2.940 548 T HA 0.130 4.480 4.350 -0.000 0.000 0.309 548 T C -1.156 173.503 174.700 -0.069 0.000 1.056 548 T CA -0.485 61.609 62.100 -0.011 0.000 1.137 548 T CB 1.387 70.261 68.868 0.010 0.000 0.976 548 T HN 0.251 8.491 8.240 -0.000 0.000 0.547 549 P HA -0.076 4.344 4.420 -0.000 0.000 0.221 549 P C 1.089 178.333 177.300 -0.093 0.000 1.145 549 P CA 0.898 63.943 63.100 -0.093 0.000 0.795 549 P CB 0.043 31.708 31.700 -0.058 0.000 0.775 550 E N -0.994 119.169 120.200 -0.062 0.000 2.481 550 E HA 0.078 4.428 4.350 -0.000 0.000 0.195 550 E C 1.559 178.128 176.600 -0.051 0.000 1.047 550 E CA 0.597 56.969 56.400 -0.046 0.000 0.867 550 E CB -0.395 29.293 29.700 -0.019 0.000 0.858 550 E HN 0.140 8.500 8.360 -0.000 0.000 0.513 551 A N 1.521 124.294 122.820 -0.077 0.000 1.956 551 A HA 0.153 4.473 4.320 -0.000 0.000 0.212 551 A C 2.133 179.587 177.584 -0.216 0.000 1.188 551 A CA 0.125 52.119 52.037 -0.073 0.000 0.675 551 A CB -0.274 18.735 19.000 0.016 0.000 0.845 551 A HN 0.171 8.321 8.150 -0.000 0.000 0.455 552 I N -0.577 119.745 120.570 -0.413 0.000 2.353 552 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 552 I C 2.540 178.509 176.117 -0.246 0.000 1.119 552 I CA 1.112 62.067 61.300 -0.575 0.000 1.417 552 I CB -0.351 37.282 38.000 -0.611 0.000 1.078 552 I HN 0.327 8.537 8.210 -0.000 0.000 0.421 553 R N 1.828 122.232 120.500 -0.159 0.000 2.115 553 R HA -0.262 4.078 4.340 -0.000 0.000 0.239 553 R C 2.305 178.573 176.300 -0.054 0.000 1.133 553 R CA 2.310 58.359 56.100 -0.085 0.000 0.935 553 R CB -0.382 29.881 30.300 -0.062 0.000 0.853 553 R HN 0.392 8.662 8.270 -0.000 0.000 0.433 554 A N -0.048 122.745 122.820 -0.044 0.000 1.968 554 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 554 A C 2.551 180.137 177.584 0.003 0.000 1.169 554 A CA 1.364 53.392 52.037 -0.014 0.000 0.638 554 A CB -0.653 18.343 19.000 -0.006 0.000 0.812 554 A HN 0.600 8.750 8.150 -0.000 0.000 0.446 555 C N 0.141 119.447 119.300 0.009 0.000 2.466 555 C HA -0.058 4.402 4.460 -0.000 0.000 0.278 555 C C 2.687 177.712 174.990 0.058 0.000 1.288 555 C CA 1.052 60.109 59.018 0.066 0.000 1.722 555 C CB -1.061 26.789 27.740 0.184 0.000 2.017 555 C HN 0.856 9.086 8.230 -0.000 0.000 0.488 556 E N 0.146 120.360 120.200 0.024 0.000 2.268 556 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 556 E C 1.396 178.011 176.600 0.024 0.000 0.995 556 E CA 0.909 57.326 56.400 0.028 0.000 0.836 556 E CB -0.312 29.387 29.700 -0.001 0.000 0.763 556 E HN 0.568 8.928 8.360 -0.000 0.000 0.491 557 Q N -0.181 119.628 119.800 0.014 0.000 2.320 557 Q HA 0.241 4.581 4.340 -0.000 0.000 0.201 557 Q C 1.120 177.133 176.000 0.022 0.000 0.910 557 Q CA 0.711 56.522 55.803 0.014 0.000 0.946 557 Q CB 1.334 30.075 28.738 0.003 0.000 1.062 557 Q HN 0.449 8.719 8.270 -0.000 0.000 0.503 558 A N -0.961 121.878 122.820 0.032 0.000 2.229 558 A HA 0.514 4.834 4.320 -0.000 0.000 0.211 558 A C 1.345 178.959 177.584 0.050 0.000 1.193 558 A CA 0.871 52.929 52.037 0.035 0.000 0.879 558 A CB 0.623 19.642 19.000 0.031 0.000 0.911 558 A HN 0.325 8.475 8.150 -0.000 0.000 0.492 559 G N -1.957 106.881 108.800 0.064 0.000 2.559 559 G HA2 0.295 4.255 3.960 -0.000 0.000 0.202 559 G HA3 0.295 4.255 3.960 -0.000 0.000 0.202 559 G C 0.363 175.324 174.900 0.102 0.000 0.992 559 G CA 0.036 45.192 45.100 0.094 0.000 0.764 559 G HN 1.272 9.562 8.290 -0.000 0.000 0.525 560 A N 0.298 123.169 122.820 0.084 0.000 2.425 560 A HA 0.745 5.065 4.320 -0.000 0.000 0.249 560 A C 1.209 178.852 177.584 0.100 0.000 1.084 560 A CA 0.656 52.747 52.037 0.089 0.000 0.781 560 A CB 0.375 19.446 19.000 0.118 0.000 1.019 560 A HN 0.375 8.525 8.150 -0.000 0.000 0.490 561 R N 0.958 121.515 120.500 0.094 0.000 2.195 561 R HA 0.339 4.679 4.340 -0.000 0.000 0.197 561 R C 0.437 176.791 176.300 0.090 0.000 0.990 561 R CA 0.984 57.140 56.100 0.092 0.000 1.048 561 R CB 0.376 30.734 30.300 0.096 0.000 0.997 561 R HN 0.774 9.044 8.270 -0.000 0.000 0.502 562 A N 0.527 123.402 122.820 0.092 0.000 2.435 562 A HA 0.636 4.956 4.320 -0.000 0.000 0.304 562 A C -1.719 175.953 177.584 0.147 0.000 1.064 562 A CA -0.462 51.636 52.037 0.102 0.000 0.727 562 A CB 1.268 20.301 19.000 0.056 0.000 1.284 562 A HN 0.131 8.281 8.150 -0.000 0.000 0.415 563 F N 1.395 121.348 119.950 0.004 0.000 2.529 563 F HA 0.759 5.286 4.527 0.000 0.000 0.320 563 F C -0.905 174.898 175.800 0.004 0.000 1.118 563 F CA -0.527 57.474 58.000 0.002 0.000 0.915 563 F CB 1.533 40.535 39.000 0.003 0.000 1.161 563 F HN 0.519 8.819 8.300 -0.000 0.000 0.445 564 L N 4.087 125.169 121.223 -0.235 0.000 2.376 564 L HA 0.833 5.173 4.340 -0.000 0.000 0.258 564 L C -0.448 176.345 176.870 -0.127 0.000 1.013 564 L CA -1.159 53.624 54.840 -0.094 0.000 0.822 564 L CB 1.980 43.985 42.059 -0.091 0.000 1.388 564 L HN 0.678 8.908 8.230 -0.000 0.000 0.413 565 A N 1.158 123.967 122.820 -0.017 0.000 2.242 565 A HA 0.716 5.036 4.320 -0.000 0.000 0.304 565 A C -0.735 176.834 177.584 -0.026 0.000 1.100 565 A CA -0.426 51.614 52.037 0.006 0.000 0.860 565 A CB 0.795 19.820 19.000 0.042 0.000 1.168 565 A HN 0.681 8.831 8.150 -0.000 0.000 0.503 566 K N 0.686 121.080 120.400 -0.011 0.000 2.443 566 K HA 0.479 4.799 4.320 -0.000 0.000 0.252 566 K C -2.751 173.835 176.600 -0.023 0.000 0.933 566 K CA -1.435 54.837 56.287 -0.025 0.000 0.792 566 K CB 1.566 34.050 32.500 -0.027 0.000 1.185 566 K HN 0.496 8.746 8.250 -0.000 0.000 0.425 567 P HA 0.013 4.433 4.420 -0.000 0.000 0.269 567 P C -0.551 176.733 177.300 -0.027 0.000 1.209 567 P CA -0.600 62.478 63.100 -0.036 0.000 0.776 567 P CB 0.572 32.252 31.700 -0.035 0.000 0.876 568 V N 3.544 123.438 119.914 -0.032 0.000 2.740 568 V HA 0.020 4.140 4.120 -0.000 0.000 0.303 568 V C -0.097 175.986 176.094 -0.019 0.000 1.054 568 V CA -0.204 62.079 62.300 -0.030 0.000 1.106 568 V CB 0.857 32.657 31.823 -0.038 0.000 0.957 568 V HN 0.241 8.431 8.190 -0.000 0.000 0.486 569 V N 7.867 127.773 119.914 -0.013 0.000 2.432 569 V HA 0.316 4.436 4.120 -0.000 0.000 0.271 569 V C 1.225 177.314 176.094 -0.008 0.000 1.046 569 V CA 0.343 62.639 62.300 -0.007 0.000 0.945 569 V CB 0.339 32.162 31.823 0.001 0.000 0.992 569 V HN 1.106 9.296 8.190 -0.000 0.000 0.471 570 A N 4.495 127.310 122.820 -0.007 0.000 1.972 570 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 570 A C 2.274 179.856 177.584 -0.004 0.000 1.169 570 A CA 1.904 53.937 52.037 -0.007 0.000 0.635 570 A CB -0.328 18.669 19.000 -0.006 0.000 0.810 570 A HN 1.081 9.231 8.150 -0.000 0.000 0.446 571 A N -0.335 122.484 122.820 -0.001 0.000 1.872 571 A HA -0.082 4.238 4.320 -0.000 0.000 0.214 571 A C 2.110 179.696 177.584 0.003 0.000 1.187 571 A CA 1.579 53.617 52.037 0.002 0.000 0.614 571 A CB -0.344 18.657 19.000 0.003 0.000 0.826 571 A HN 0.470 8.620 8.150 -0.000 0.000 0.442 572 K N -0.906 119.496 120.400 0.004 0.000 2.217 572 K HA -0.029 4.291 4.320 -0.000 0.000 0.202 572 K C 1.853 178.455 176.600 0.004 0.000 1.051 572 K CA 0.999 57.291 56.287 0.007 0.000 0.952 572 K CB -0.231 32.276 32.500 0.012 0.000 0.736 572 K HN 0.408 8.658 8.250 -0.000 0.000 0.453 573 L N 1.152 122.373 121.223 -0.003 0.000 2.005 573 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 573 L C 1.839 178.706 176.870 -0.004 0.000 1.072 573 L CA 1.558 56.392 54.840 -0.009 0.000 0.744 573 L CB -0.244 41.805 42.059 -0.016 0.000 0.895 573 L HN 0.064 8.294 8.230 -0.000 0.000 0.433 574 L N -0.763 120.459 121.223 -0.002 0.000 2.109 574 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 574 L C 2.210 179.083 176.870 0.005 0.000 1.086 574 L CA 0.921 55.761 54.840 0.001 0.000 0.760 574 L CB -0.779 41.280 42.059 0.001 0.000 0.910 574 L HN 0.276 8.506 8.230 -0.000 0.000 0.437 575 D N -0.280 120.124 120.400 0.006 0.000 2.117 575 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 575 D C 2.254 178.561 176.300 0.012 0.000 0.982 575 D CA 2.074 56.079 54.000 0.009 0.000 0.828 575 D CB -0.107 40.699 40.800 0.010 0.000 0.967 575 D HN 0.387 8.757 8.370 -0.000 0.000 0.464 576 T N -0.780 113.782 114.554 0.013 0.000 2.951 576 T HA -0.018 4.332 4.350 -0.000 0.000 0.268 576 T C 2.316 177.027 174.700 0.017 0.000 1.073 576 T CA 0.376 62.487 62.100 0.017 0.000 1.134 576 T CB -0.430 68.450 68.868 0.020 0.000 0.884 576 T HN 0.089 8.329 8.240 -0.000 0.000 0.479 577 L N 0.610 121.840 121.223 0.011 0.000 2.217 577 L HA 0.155 4.494 4.340 -0.000 0.000 0.211 577 L C 3.123 180.002 176.870 0.016 0.000 1.107 577 L CA 0.973 55.820 54.840 0.011 0.000 0.783 577 L CB -0.514 41.548 42.059 0.005 0.000 0.919 577 L HN 0.378 8.608 8.230 -0.000 0.000 0.442 578 A N -0.772 122.057 122.820 0.015 0.000 2.067 578 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 578 A C 1.743 179.339 177.584 0.019 0.000 1.156 578 A CA 1.046 53.093 52.037 0.016 0.000 0.683 578 A CB -0.214 18.794 19.000 0.013 0.000 0.808 578 A HN 0.296 8.446 8.150 -0.000 0.000 0.455 579 D N 0.178 120.591 120.400 0.021 0.000 2.312 579 D HA -0.033 4.607 4.640 -0.000 0.000 0.211 579 D C 1.813 178.131 176.300 0.031 0.000 0.964 579 D CA 0.658 54.673 54.000 0.024 0.000 0.877 579 D CB -0.071 40.743 40.800 0.025 0.000 0.924 579 D HN 0.488 8.858 8.370 -0.000 0.000 0.515 580 L N 0.269 121.513 121.223 0.036 0.000 2.023 580 L HA 0.051 4.391 4.340 -0.000 0.000 0.205 580 L C 1.468 178.368 176.870 0.050 0.000 1.073 580 L CA 0.718 55.588 54.840 0.050 0.000 0.745 580 L CB -0.323 41.768 42.059 0.053 0.000 0.900 580 L HN -0.093 8.137 8.230 -0.000 0.000 0.435 581 A N 0.000 122.844 122.820 0.040 0.000 2.254 581 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 581 A CA 0.000 52.059 52.037 0.036 0.000 0.836 581 A CB 0.000 19.020 19.000 0.034 0.000 0.831 581 A HN 0.000 8.150 8.150 -0.000 0.000 0.486