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 2dg5_1_D DATA FIRST_RESID 391 DATA SEQUENCE TTHYSVVDKD GNAVAVTYTL NTTFGTGIVA GESGILLNNQ XDDFSAKPGV DATA SEQUENCE PNVYGLVGGD ANAVGPNKRP LSSXSPTIVV KDGKTWLVTG SPGGSRIITT DATA SEQUENCE VLQXVVNSID YGLNVAEATN APRFHHQWLP DELRVEKGFS PDTLKLLEAK DATA SEQUENCE GQKVALKEAX GSTQSIXVGP DGELYGASDP RSVDDLTAGY 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 391 T HA 0.000 nan 4.350 nan 0.000 0.228 391 T C 0.000 174.703 174.700 0.005 0.000 1.109 391 T CA 0.000 62.080 62.100 -0.033 0.000 1.349 391 T CB 0.000 68.851 68.868 -0.029 0.000 0.612 392 T N 1.222 115.826 114.554 0.082 0.000 2.932 392 T HA 0.560 4.910 4.350 0.000 0.000 0.318 392 T C -2.128 172.717 174.700 0.242 0.000 1.265 392 T CA -0.592 61.600 62.100 0.154 0.000 1.036 392 T CB 1.411 70.378 68.868 0.165 0.000 1.209 392 T HN 0.706 nan 8.240 nan 0.000 0.484 393 H N 2.991 122.134 119.070 0.121 0.000 2.637 393 H HA 0.626 5.183 4.556 0.000 0.000 0.363 393 H C -1.653 173.753 175.328 0.131 0.000 1.131 393 H CA -0.453 55.626 56.048 0.052 0.000 1.183 393 H CB 1.595 31.348 29.762 -0.015 0.000 1.637 393 H HN 0.775 nan 8.280 nan 0.000 0.531 394 Y N 0.520 120.368 120.300 -0.755 0.000 2.562 394 Y HA 0.645 5.195 4.550 0.000 0.000 0.345 394 Y C -1.417 174.197 175.900 -0.476 0.000 1.045 394 Y CA -0.946 56.915 58.100 -0.399 0.000 1.028 394 Y CB 1.374 39.708 38.460 -0.210 0.000 1.297 394 Y HN 0.382 nan 8.280 nan 0.000 0.463 395 S N 1.290 117.005 115.700 0.025 0.000 2.548 395 S HA 0.848 5.318 4.470 0.000 0.000 0.286 395 S C -1.381 173.267 174.600 0.081 0.000 1.098 395 S CA -0.791 57.429 58.200 0.033 0.000 0.930 395 S CB 2.056 65.323 63.200 0.112 0.000 1.070 395 S HN 0.622 nan 8.310 nan 0.000 0.480 396 V N 1.938 121.885 119.914 0.054 0.000 2.808 396 V HA 0.662 4.782 4.120 0.000 0.000 0.308 396 V C -1.143 174.970 176.094 0.031 0.000 1.099 396 V CA -0.650 61.682 62.300 0.053 0.000 0.920 396 V CB 2.044 33.908 31.823 0.068 0.000 1.014 396 V HN 0.682 nan 8.190 nan 0.000 0.425 397 V N 3.376 123.305 119.914 0.025 0.000 2.623 397 V HA 0.493 4.613 4.120 0.000 0.000 0.304 397 V C -0.835 175.265 176.094 0.011 0.000 1.054 397 V CA -0.638 61.669 62.300 0.011 0.000 0.882 397 V CB 2.103 33.924 31.823 -0.004 0.000 1.002 397 V HN 1.105 nan 8.190 nan 0.000 0.424 398 D N 3.526 123.934 120.400 0.015 0.000 2.478 398 D HA 0.264 4.904 4.640 0.000 0.000 0.263 398 D C 1.084 177.377 176.300 -0.011 0.000 1.153 398 D CA -0.750 53.265 54.000 0.024 0.000 1.038 398 D CB 0.831 41.657 40.800 0.043 0.000 1.120 398 D HN 0.527 nan 8.370 nan 0.000 0.564 399 K N -0.823 119.572 120.400 -0.008 0.000 2.280 399 K HA -0.138 4.183 4.320 0.000 0.000 0.202 399 K C 0.092 176.677 176.600 -0.024 0.000 1.047 399 K CA 1.135 57.394 56.287 -0.046 0.000 0.942 399 K CB -0.180 32.308 32.500 -0.019 0.000 0.739 399 K HN 0.239 nan 8.250 nan 0.000 0.457 400 D N 0.152 120.550 120.400 -0.003 0.000 2.350 400 D HA 0.062 4.702 4.640 0.000 0.000 0.213 400 D C 1.027 177.327 176.300 0.000 0.000 1.031 400 D CA 0.955 54.955 54.000 0.001 0.000 0.861 400 D CB 0.893 41.698 40.800 0.009 0.000 0.926 400 D HN 0.540 nan 8.370 nan 0.000 0.520 401 G N 1.017 109.816 108.800 -0.003 0.000 2.176 401 G HA2 -0.238 3.722 3.960 0.000 0.000 0.232 401 G HA3 -0.238 3.722 3.960 0.000 0.000 0.232 401 G C 0.233 175.140 174.900 0.011 0.000 0.986 401 G CA -0.491 44.611 45.100 0.003 0.000 0.643 401 G HN 0.178 nan 8.290 nan 0.000 0.522 402 N N 1.132 119.838 118.700 0.010 0.000 2.518 402 N HA 0.549 5.289 4.740 0.000 0.000 0.266 402 N C 0.255 175.773 175.510 0.013 0.000 1.196 402 N CA 1.029 54.086 53.050 0.012 0.000 0.947 402 N CB 1.463 39.957 38.487 0.012 0.000 1.098 402 N HN 0.887 nan 8.380 nan 0.000 0.450 403 A N 1.339 124.167 122.820 0.013 0.000 2.401 403 A HA 0.711 5.032 4.320 0.000 0.000 0.310 403 A C -0.814 176.773 177.584 0.005 0.000 1.075 403 A CA -0.583 51.462 52.037 0.013 0.000 0.746 403 A CB 1.342 20.354 19.000 0.019 0.000 1.277 403 A HN 0.355 nan 8.150 nan 0.000 0.425 404 V N 0.488 120.401 119.914 -0.001 0.000 2.808 404 V HA 0.768 4.889 4.120 0.000 0.000 0.308 404 V C -0.101 175.957 176.094 -0.059 0.000 1.099 404 V CA -0.228 62.056 62.300 -0.028 0.000 0.920 404 V CB 1.815 33.623 31.823 -0.026 0.000 1.014 404 V HN 1.507 nan 8.190 nan 0.000 0.425 405 A N 4.014 126.782 122.820 -0.088 0.000 2.335 405 A HA 0.905 5.225 4.320 0.000 0.000 0.304 405 A C -1.166 176.255 177.584 -0.272 0.000 1.118 405 A CA -0.547 51.428 52.037 -0.104 0.000 0.757 405 A CB 1.658 20.713 19.000 0.091 0.000 1.188 405 A HN 0.739 nan 8.150 nan 0.000 0.460 406 V N 2.267 121.756 119.914 -0.707 0.000 2.531 406 V HA 0.635 4.755 4.120 0.000 0.000 0.301 406 V C -0.256 175.402 176.094 -0.725 0.000 1.034 406 V CA -0.347 61.478 62.300 -0.793 0.000 0.865 406 V CB 2.067 33.104 31.823 -1.310 0.000 0.995 406 V HN 0.913 nan 8.190 nan 0.000 0.424 407 T N 5.573 119.995 114.554 -0.220 0.000 2.809 407 T HA 0.683 5.033 4.350 0.000 0.000 0.284 407 T C -0.910 173.863 174.700 0.121 0.000 0.992 407 T CA -0.416 61.701 62.100 0.029 0.000 0.957 407 T CB 0.837 69.796 68.868 0.151 0.000 0.942 407 T HN 0.727 nan 8.240 nan 0.000 0.439 408 Y N -0.154 120.124 120.300 -0.037 0.000 2.644 408 Y HA 0.883 5.433 4.550 0.000 0.000 0.338 408 Y C -0.596 175.307 175.900 0.007 0.000 1.119 408 Y CA -1.119 56.975 58.100 -0.010 0.000 1.060 408 Y CB 2.134 40.598 38.460 0.007 0.000 1.294 408 Y HN 0.624 nan 8.280 nan 0.000 0.472 409 T N 0.627 115.122 114.554 -0.098 0.000 2.733 409 T HA 0.315 4.665 4.350 0.000 0.000 0.312 409 T C -1.029 173.587 174.700 -0.140 0.000 1.590 409 T CA -0.718 61.287 62.100 -0.160 0.000 1.005 409 T CB 1.547 70.384 68.868 -0.051 0.000 1.528 409 T HN 0.830 nan 8.240 nan 0.000 0.496 410 L N 2.168 123.322 121.223 -0.114 0.000 2.693 410 L HA 0.356 4.696 4.340 0.000 0.000 0.235 410 L C 1.233 178.095 176.870 -0.014 0.000 1.127 410 L CA 0.301 55.105 54.840 -0.061 0.000 0.914 410 L CB -0.103 41.924 42.059 -0.054 0.000 1.193 410 L HN 0.863 nan 8.230 nan 0.000 0.502 411 N N -0.103 118.594 118.700 -0.005 0.000 3.181 411 N HA -0.210 4.530 4.740 0.000 0.000 0.233 411 N C 0.484 176.038 175.510 0.074 0.000 0.511 411 N CA 1.990 55.073 53.050 0.056 0.000 2.050 411 N CB -1.127 37.405 38.487 0.075 0.000 1.686 411 N HN 0.265 nan 8.380 nan 0.000 0.335 412 T N -1.123 113.475 114.554 0.073 0.000 2.726 412 T HA 0.483 4.834 4.350 0.000 0.000 0.294 412 T C 0.224 174.926 174.700 0.003 0.000 1.013 412 T CA 0.566 62.701 62.100 0.059 0.000 0.996 412 T CB 0.257 69.147 68.868 0.038 0.000 1.016 412 T HN 0.496 nan 8.240 nan 0.000 0.529 413 T N 2.471 117.009 114.554 -0.027 0.000 2.793 413 T HA 0.209 4.559 4.350 0.000 0.000 0.289 413 T C -0.024 174.640 174.700 -0.059 0.000 0.956 413 T CA 0.240 62.239 62.100 -0.167 0.000 1.177 413 T CB -1.037 67.724 68.868 -0.178 0.000 0.897 413 T HN 0.641 nan 8.240 nan 0.000 0.533 414 F N 0.662 120.606 119.950 -0.011 0.000 2.699 414 F HA -0.238 4.290 4.527 0.000 0.000 0.343 414 F C 1.604 177.395 175.800 -0.014 0.000 0.633 414 F CA 1.227 59.218 58.000 -0.015 0.000 1.365 414 F CB -2.225 36.769 39.000 -0.009 0.000 1.795 414 F HN 1.131 nan 8.300 nan 0.000 0.304 415 G N 0.548 109.412 108.800 0.108 0.000 2.611 415 G HA2 -0.405 3.555 3.960 0.000 0.000 0.301 415 G HA3 -0.405 3.555 3.960 0.000 0.000 0.301 415 G C 1.038 175.988 174.900 0.083 0.000 1.233 415 G CA 1.700 46.843 45.100 0.072 0.000 0.993 415 G HN 1.224 nan 8.290 nan 0.000 0.553 416 T N -1.122 113.470 114.554 0.062 0.000 3.035 416 T HA 0.348 4.698 4.350 0.000 0.000 0.268 416 T C 2.682 177.411 174.700 0.048 0.000 1.109 416 T CA 1.920 64.048 62.100 0.048 0.000 1.119 416 T CB -0.236 68.652 68.868 0.034 0.000 0.900 416 T HN 2.803 nan 8.240 nan 0.000 0.503 417 G N 1.260 110.101 108.800 0.068 0.000 2.159 417 G HA2 -0.208 3.752 3.960 0.000 0.000 0.256 417 G HA3 -0.208 3.752 3.960 0.000 0.000 0.256 417 G C 0.007 174.907 174.900 0.001 0.000 0.977 417 G CA 0.099 45.218 45.100 0.032 0.000 0.652 417 G HN 0.672 nan 8.290 nan 0.000 0.531 418 I N 1.201 121.781 120.570 0.016 0.000 2.315 418 I HA 0.423 4.593 4.170 0.000 0.000 0.291 418 I C 0.655 176.778 176.117 0.011 0.000 1.006 418 I CA -1.023 60.281 61.300 0.007 0.000 1.265 418 I CB 1.677 39.684 38.000 0.011 0.000 1.387 418 I HN -0.127 nan 8.210 nan 0.000 0.475 419 V N 5.733 125.648 119.914 0.002 0.000 2.607 419 V HA 0.320 4.440 4.120 0.000 0.000 0.289 419 V C 0.724 176.823 176.094 0.007 0.000 1.053 419 V CA -0.615 61.688 62.300 0.006 0.000 0.996 419 V CB 1.606 33.428 31.823 -0.002 0.000 0.995 419 V HN 0.856 nan 8.190 nan 0.000 0.476 420 A N 4.826 127.652 122.820 0.011 0.000 2.666 420 A HA 0.587 4.907 4.320 0.000 0.000 0.301 420 A C 1.209 178.798 177.584 0.008 0.000 1.470 420 A CA 0.501 52.544 52.037 0.011 0.000 1.159 420 A CB -1.065 17.944 19.000 0.015 0.000 1.116 420 A HN 1.783 nan 8.150 nan 0.000 0.548 421 G N 1.933 110.736 108.800 0.006 0.000 2.634 421 G HA2 -0.286 3.675 3.960 0.000 0.000 0.309 421 G HA3 -0.286 3.675 3.960 0.000 0.000 0.309 421 G C 0.470 175.372 174.900 0.003 0.000 1.265 421 G CA 0.492 45.594 45.100 0.004 0.000 0.998 421 G HN 0.668 nan 8.290 nan 0.000 0.551 422 E N 1.349 121.551 120.200 0.003 0.000 2.368 422 E HA 0.193 4.543 4.350 0.000 0.000 0.188 422 E C 2.301 178.904 176.600 0.005 0.000 1.061 422 E CA 0.888 57.289 56.400 0.003 0.000 0.933 422 E CB 0.150 29.852 29.700 0.002 0.000 1.091 422 E HN 0.596 nan 8.360 nan 0.000 0.458 423 S N -0.870 114.835 115.700 0.007 0.000 2.470 423 S HA 0.086 4.556 4.470 0.000 0.000 0.225 423 S C 1.736 176.343 174.600 0.011 0.000 1.006 423 S CA 0.626 58.832 58.200 0.010 0.000 0.934 423 S CB 0.047 63.255 63.200 0.012 0.000 0.778 423 S HN 0.274 nan 8.310 nan 0.000 0.517 424 G N 1.068 109.873 108.800 0.009 0.000 2.162 424 G HA2 -0.240 3.720 3.960 0.000 0.000 0.260 424 G HA3 -0.240 3.720 3.960 0.000 0.000 0.260 424 G C -0.017 174.892 174.900 0.016 0.000 0.976 424 G CA 0.391 45.497 45.100 0.010 0.000 0.655 424 G HN 0.617 nan 8.290 nan 0.000 0.533 425 I N 1.229 121.809 120.570 0.017 0.000 2.315 425 I HA 0.378 4.548 4.170 0.000 0.000 0.291 425 I C 0.957 177.088 176.117 0.024 0.000 1.006 425 I CA -0.852 60.461 61.300 0.022 0.000 1.265 425 I CB 1.186 39.199 38.000 0.022 0.000 1.387 425 I HN -0.041 nan 8.210 nan 0.000 0.475 426 L N 6.944 128.186 121.223 0.032 0.000 2.426 426 L HA 0.252 4.592 4.340 0.000 0.000 0.271 426 L C -0.212 176.677 176.870 0.032 0.000 1.169 426 L CA -0.199 54.665 54.840 0.041 0.000 0.836 426 L CB 0.573 42.678 42.059 0.077 0.000 1.112 426 L HN 0.436 nan 8.230 nan 0.000 0.465 427 L N 3.217 124.459 121.223 0.032 0.000 2.289 427 L HA 0.258 4.598 4.340 0.000 0.000 0.285 427 L C 0.206 177.094 176.870 0.030 0.000 1.049 427 L CA -0.700 54.157 54.840 0.028 0.000 0.804 427 L CB 1.361 43.436 42.059 0.026 0.000 1.195 427 L HN 0.678 nan 8.230 nan 0.000 0.428 428 N N 1.234 119.947 118.700 0.022 0.000 2.371 428 N HA 0.011 4.752 4.740 0.000 0.000 0.243 428 N C -0.210 175.318 175.510 0.030 0.000 1.287 428 N CA -0.433 52.629 53.050 0.019 0.000 0.911 428 N CB 0.308 38.801 38.487 0.010 0.000 1.142 428 N HN 0.604 nan 8.380 nan 0.000 0.451 429 N N -0.878 117.841 118.700 0.031 0.000 2.598 429 N HA 0.146 4.887 4.740 0.000 0.000 0.309 429 N C -0.710 174.824 175.510 0.039 0.000 1.645 429 N CA -0.562 52.510 53.050 0.037 0.000 0.936 429 N CB 0.336 38.843 38.487 0.033 0.000 1.323 429 N HN 0.582 nan 8.380 nan 0.000 0.497 433 D N -0.192 120.234 120.400 0.043 0.000 2.347 433 D HA 0.094 4.734 4.640 0.000 0.000 0.215 433 D C 0.265 176.558 176.300 -0.013 0.000 0.976 433 D CA 0.463 54.469 54.000 0.010 0.000 0.884 433 D CB 0.075 40.835 40.800 -0.068 0.000 0.915 433 D HN 0.210 nan 8.370 nan 0.000 0.526 434 F N 0.523 120.505 119.950 0.054 0.000 2.375 434 F HA 0.153 4.680 4.527 0.000 0.000 0.313 434 F C 1.236 177.063 175.800 0.045 0.000 1.176 434 F CA -0.809 57.218 58.000 0.045 0.000 1.142 434 F CB 0.723 39.743 39.000 0.034 0.000 1.275 434 F HN -0.402 nan 8.300 nan 0.000 0.544 435 S N 0.899 116.776 115.700 0.296 0.000 2.430 435 S HA 0.501 4.971 4.470 0.000 0.000 0.289 435 S C 0.664 175.338 174.600 0.123 0.000 1.143 435 S CA -0.288 58.012 58.200 0.166 0.000 1.067 435 S CB 0.696 63.976 63.200 0.134 0.000 0.964 435 S HN 0.735 nan 8.310 nan 0.000 0.485 436 A N 4.955 127.831 122.820 0.093 0.000 2.014 436 A HA 0.254 4.574 4.320 0.000 0.000 0.218 436 A C 0.918 178.519 177.584 0.029 0.000 1.163 436 A CA 0.802 52.870 52.037 0.053 0.000 0.652 436 A CB -0.038 18.989 19.000 0.046 0.000 0.808 436 A HN 0.750 nan 8.150 nan 0.000 0.449 437 K N -0.576 119.846 120.400 0.037 0.000 2.569 437 K HA 0.375 4.695 4.320 0.000 0.000 0.259 437 K C -3.329 173.294 176.600 0.039 0.000 0.932 437 K CA -1.973 54.331 56.287 0.028 0.000 0.833 437 K CB 1.713 34.225 32.500 0.019 0.000 1.340 437 K HN -0.184 nan 8.250 nan 0.000 0.429 438 P HA 0.013 nan 4.420 nan 0.000 0.261 438 P C 0.402 177.730 177.300 0.047 0.000 1.183 438 P CA 1.442 64.570 63.100 0.048 0.000 0.761 438 P CB 0.564 32.288 31.700 0.041 0.000 0.785 439 G N 1.497 110.334 108.800 0.060 0.000 2.205 439 G HA2 -0.220 3.741 3.960 0.000 0.000 0.261 439 G HA3 -0.220 3.741 3.960 0.000 0.000 0.261 439 G C 0.058 174.976 174.900 0.030 0.000 0.980 439 G CA -0.045 45.084 45.100 0.049 0.000 0.632 439 G HN 0.535 nan 8.290 nan 0.000 0.533 440 V N 3.413 123.347 119.914 0.033 0.000 2.407 440 V HA 0.525 4.645 4.120 0.000 0.000 0.278 440 V C -1.078 175.035 176.094 0.032 0.000 1.037 440 V CA -1.412 60.901 62.300 0.022 0.000 0.900 440 V CB 1.562 33.396 31.823 0.019 0.000 0.983 440 V HN 0.269 nan 8.190 nan 0.000 0.459 441 P HA 0.181 nan 4.420 nan 0.000 0.272 441 P C -0.706 176.608 177.300 0.023 0.000 1.223 441 P CA -0.216 62.902 63.100 0.031 0.000 0.784 441 P CB 0.969 32.677 31.700 0.014 0.000 0.923 442 N N 0.891 119.611 118.700 0.033 0.000 2.620 442 N HA 0.003 4.743 4.740 0.000 0.000 0.307 442 N C 1.059 176.523 175.510 -0.077 0.000 1.316 442 N CA -0.660 52.388 53.050 -0.003 0.000 0.931 442 N CB -0.721 37.786 38.487 0.033 0.000 1.116 442 N HN 0.100 nan 8.380 nan 0.000 0.573 443 V N -0.633 119.155 119.914 -0.211 0.000 2.720 443 V HA -0.159 3.961 4.120 0.000 0.000 0.256 443 V C 0.532 176.368 176.094 -0.431 0.000 1.082 443 V CA 1.522 63.601 62.300 -0.368 0.000 1.101 443 V CB -1.071 30.429 31.823 -0.538 0.000 0.693 443 V HN 0.555 nan 8.190 nan 0.000 0.479 444 Y N -0.033 120.279 120.300 0.021 0.000 2.485 444 Y HA 0.500 5.051 4.550 0.000 0.000 0.260 444 Y C 1.783 177.708 175.900 0.041 0.000 1.173 444 Y CA -0.039 58.075 58.100 0.023 0.000 1.252 444 Y CB 0.062 38.535 38.460 0.021 0.000 1.123 444 Y HN 0.256 nan 8.280 nan 0.000 0.524 445 G N 0.452 109.319 108.800 0.111 0.000 2.159 445 G HA2 -0.285 3.675 3.960 0.000 0.000 0.256 445 G HA3 -0.285 3.675 3.960 0.000 0.000 0.256 445 G C -0.007 174.964 174.900 0.118 0.000 0.977 445 G CA -0.017 45.137 45.100 0.090 0.000 0.652 445 G HN 0.269 nan 8.290 nan 0.000 0.531 446 L N 0.466 121.783 121.223 0.157 0.000 2.375 446 L HA 0.681 5.021 4.340 0.000 0.000 0.271 446 L C 1.030 177.985 176.870 0.141 0.000 1.107 446 L CA -0.823 54.119 54.840 0.169 0.000 0.806 446 L CB 1.466 43.637 42.059 0.185 0.000 1.146 446 L HN 0.274 nan 8.230 nan 0.000 0.447 447 V N -0.649 119.365 119.914 0.167 0.000 3.113 447 V HA 1.080 5.201 4.120 0.000 0.000 0.316 447 V C -0.103 176.087 176.094 0.160 0.000 1.125 447 V CA -0.223 62.167 62.300 0.149 0.000 1.026 447 V CB 1.585 33.495 31.823 0.144 0.000 1.080 447 V HN 0.844 nan 8.190 nan 0.000 0.444 448 G N -0.839 108.042 108.800 0.135 0.000 2.706 448 G HA2 0.854 4.815 3.960 0.000 0.000 0.307 448 G HA3 0.854 4.815 3.960 0.000 0.000 0.307 448 G C -0.395 174.567 174.900 0.103 0.000 1.307 448 G CA 0.043 45.217 45.100 0.124 0.000 0.790 448 G HN 1.508 nan 8.290 nan 0.000 0.503 449 G N -1.295 107.559 108.800 0.090 0.000 3.255 449 G HA2 0.430 4.390 3.960 0.000 0.000 0.161 449 G HA3 0.430 4.390 3.960 0.000 0.000 0.161 449 G C -0.046 174.890 174.900 0.061 0.000 1.173 449 G CA 0.766 45.908 45.100 0.070 0.000 1.106 449 G HN 0.366 nan 8.290 nan 0.000 0.650 450 D N 0.840 121.269 120.400 0.048 0.000 2.097 450 D HA 0.016 4.656 4.640 0.000 0.000 0.197 450 D C 2.704 179.035 176.300 0.051 0.000 0.984 450 D CA 1.540 55.564 54.000 0.039 0.000 0.826 450 D CB -0.540 40.277 40.800 0.029 0.000 0.973 450 D HN 0.344 nan 8.370 nan 0.000 0.460 451 A N 0.775 123.629 122.820 0.056 0.000 1.892 451 A HA -0.215 4.105 4.320 0.000 0.000 0.218 451 A C 1.811 179.456 177.584 0.101 0.000 1.188 451 A CA 1.580 53.655 52.037 0.065 0.000 0.631 451 A CB -0.651 18.381 19.000 0.053 0.000 0.822 451 A HN 0.295 nan 8.150 nan 0.000 0.447 452 N N -0.539 118.236 118.700 0.125 0.000 2.321 452 N HA 0.378 5.119 4.740 0.000 0.000 0.242 452 N C 0.096 175.771 175.510 0.275 0.000 1.141 452 N CA 0.151 53.326 53.050 0.209 0.000 0.864 452 N CB 0.000 38.587 38.487 0.167 0.000 1.100 452 N HN 0.451 nan 8.380 nan 0.000 0.510 453 A N 0.435 123.339 122.820 0.139 0.000 2.386 453 A HA 0.315 4.635 4.320 0.000 0.000 0.248 453 A C 0.491 177.965 177.584 -0.183 0.000 1.082 453 A CA -0.270 51.785 52.037 0.029 0.000 0.789 453 A CB 0.682 19.675 19.000 -0.011 0.000 1.025 453 A HN 0.091 nan 8.150 nan 0.000 0.490 454 V N 1.001 120.649 119.914 -0.443 0.000 2.763 454 V HA 0.477 4.598 4.120 0.000 0.000 0.306 454 V C 1.010 176.760 176.094 -0.574 0.000 1.059 454 V CA 1.094 62.770 62.300 -1.041 0.000 1.138 454 V CB 0.638 32.070 31.823 -0.652 0.000 0.940 454 V HN 1.260 nan 8.190 nan 0.000 0.489 455 G N 4.918 113.373 108.800 -0.575 0.000 2.720 455 G HA2 0.636 4.596 3.960 0.000 0.000 0.295 455 G HA3 0.636 4.596 3.960 0.000 0.000 0.295 455 G C -3.169 171.646 174.900 -0.141 0.000 1.437 455 G CA -1.040 43.920 45.100 -0.233 0.000 0.886 455 G HN 0.544 nan 8.290 nan 0.000 0.509 456 P HA 0.097 nan 4.420 nan 0.000 0.265 456 P C 0.092 177.403 177.300 0.019 0.000 1.193 456 P CA 0.145 63.233 63.100 -0.021 0.000 0.765 456 P CB 0.762 32.453 31.700 -0.016 0.000 0.823 457 N N -1.327 117.401 118.700 0.048 0.000 2.900 457 N HA -0.187 4.553 4.740 0.000 0.000 0.240 457 N C 0.287 175.859 175.510 0.104 0.000 0.953 457 N CA 1.277 54.368 53.050 0.068 0.000 0.950 457 N CB -1.245 37.269 38.487 0.045 0.000 1.102 457 N HN 0.596 nan 8.380 nan 0.000 0.593 458 K N 1.246 121.738 120.400 0.153 0.000 2.185 458 K HA 0.256 4.576 4.320 0.000 0.000 0.271 458 K C 0.018 176.819 176.600 0.334 0.000 1.013 458 K CA -0.239 56.191 56.287 0.238 0.000 0.943 458 K CB 0.647 33.307 32.500 0.267 0.000 0.998 458 K HN 0.052 nan 8.250 nan 0.000 0.468 459 R N 4.310 124.919 120.500 0.182 0.000 2.221 459 R HA 0.236 4.576 4.340 0.000 0.000 0.327 459 R C -2.125 174.072 176.300 -0.172 0.000 1.033 459 R CA -1.818 54.298 56.100 0.027 0.000 0.887 459 R CB 0.806 31.110 30.300 0.006 0.000 1.057 459 R HN 0.519 nan 8.270 nan 0.000 0.455 460 P HA -0.045 nan 4.420 nan 0.000 0.271 460 P C -0.426 176.617 177.300 -0.428 0.000 1.216 460 P CA -0.488 61.917 63.100 -1.157 0.000 0.776 460 P CB 0.715 31.534 31.700 -1.468 0.000 0.881 461 L N 2.417 123.483 121.223 -0.263 0.000 2.525 461 L HA 0.143 4.483 4.340 0.000 0.000 0.278 461 L C 0.516 177.330 176.870 -0.094 0.000 1.218 461 L CA 1.020 55.797 54.840 -0.104 0.000 0.878 461 L CB 0.051 42.095 42.059 -0.025 0.000 1.127 461 L HN 0.455 nan 8.230 nan 0.000 0.492 462 S N 2.628 118.288 115.700 -0.066 0.000 2.689 462 S HA 0.809 5.280 4.470 0.000 0.000 0.306 462 S C -0.299 174.273 174.600 -0.047 0.000 1.104 462 S CA -0.566 57.599 58.200 -0.058 0.000 0.973 462 S CB 1.390 64.557 63.200 -0.056 0.000 1.121 462 S HN 0.810 nan 8.310 nan 0.000 0.523 466 P HA 0.274 nan 4.420 nan 0.000 0.267 466 P C -0.536 176.754 177.300 -0.017 0.000 1.209 466 P CA 0.389 63.501 63.100 0.020 0.000 0.763 466 P CB 0.634 32.379 31.700 0.074 0.000 0.816 467 T N 4.089 118.620 114.554 -0.038 0.000 2.893 467 T HA 0.600 4.950 4.350 0.000 0.000 0.293 467 T C -0.073 174.625 174.700 -0.004 0.000 1.027 467 T CA -0.378 61.706 62.100 -0.027 0.000 0.988 467 T CB 1.064 69.902 68.868 -0.050 0.000 1.043 467 T HN 0.233 nan 8.240 nan 0.000 0.461 468 I N 2.371 122.949 120.570 0.014 0.000 2.447 468 I HA 0.444 4.614 4.170 0.000 0.000 0.287 468 I C -0.689 175.466 176.117 0.062 0.000 1.023 468 I CA -1.068 60.253 61.300 0.036 0.000 1.083 468 I CB 2.010 40.031 38.000 0.035 0.000 1.245 468 I HN 0.265 nan 8.210 nan 0.000 0.434 469 V N 7.025 127.005 119.914 0.110 0.000 2.427 469 V HA 0.423 4.543 4.120 0.000 0.000 0.286 469 V C 0.039 176.267 176.094 0.224 0.000 1.034 469 V CA -0.631 61.777 62.300 0.180 0.000 0.893 469 V CB 1.931 33.941 31.823 0.310 0.000 0.982 469 V HN 0.389 nan 8.190 nan 0.000 0.452 470 V N 4.712 124.709 119.914 0.139 0.000 2.513 470 V HA 0.531 4.651 4.120 0.000 0.000 0.299 470 V C -0.130 175.970 176.094 0.011 0.000 1.035 470 V CA -0.829 61.532 62.300 0.102 0.000 0.889 470 V CB 1.840 33.693 31.823 0.051 0.000 0.988 470 V HN 0.874 nan 8.190 nan 0.000 0.440 471 K N 3.177 123.559 120.400 -0.029 0.000 2.502 471 K HA 0.353 4.673 4.320 0.000 0.000 0.254 471 K C -0.696 175.838 176.600 -0.109 0.000 0.947 471 K CA -0.425 55.746 56.287 -0.192 0.000 0.834 471 K CB 0.908 33.102 32.500 -0.511 0.000 1.112 471 K HN 0.781 nan 8.250 nan 0.000 0.427 472 D N 3.529 123.870 120.400 -0.098 0.000 2.800 472 D HA -0.184 4.456 4.640 0.000 0.000 0.232 472 D C 0.630 176.912 176.300 -0.029 0.000 1.137 472 D CA 1.612 55.575 54.000 -0.062 0.000 0.718 472 D CB -1.195 39.567 40.800 -0.063 0.000 1.084 472 D HN 1.118 nan 8.370 nan 0.000 0.432 473 G N -0.519 108.269 108.800 -0.020 0.000 2.184 473 G HA2 -0.365 3.595 3.960 0.000 0.000 0.264 473 G HA3 -0.365 3.595 3.960 0.000 0.000 0.264 473 G C 0.235 175.144 174.900 0.015 0.000 0.975 473 G CA 0.921 46.020 45.100 -0.002 0.000 0.642 473 G HN 0.488 nan 8.290 nan 0.000 0.536 474 K N 0.801 121.216 120.400 0.026 0.000 2.221 474 K HA 0.524 4.844 4.320 0.000 0.000 0.258 474 K C 0.073 176.733 176.600 0.100 0.000 0.944 474 K CA -0.583 55.737 56.287 0.055 0.000 0.823 474 K CB 1.487 34.023 32.500 0.060 0.000 1.113 474 K HN 0.052 nan 8.250 nan 0.000 0.431 475 T N 1.727 116.342 114.554 0.100 0.000 2.908 475 T HA -0.078 4.272 4.350 0.000 0.000 0.301 475 T C 0.078 174.911 174.700 0.222 0.000 1.019 475 T CA 0.496 62.674 62.100 0.130 0.000 1.152 475 T CB 0.236 69.152 68.868 0.081 0.000 0.966 475 T HN 0.684 nan 8.240 nan 0.000 0.540 476 W N 4.034 125.342 121.300 0.012 0.000 3.638 476 W HA 0.514 5.174 4.660 0.000 0.000 0.226 476 W C -0.724 175.810 176.519 0.025 0.000 1.065 476 W CA -0.218 57.139 57.345 0.019 0.000 1.751 476 W CB 0.299 29.764 29.460 0.008 0.000 0.873 476 W HN 0.485 nan 8.180 nan 0.000 0.786 477 L N 1.554 122.781 121.223 0.007 0.000 2.436 477 L HA 0.658 4.998 4.340 0.000 0.000 0.268 477 L C -1.551 175.291 176.870 -0.047 0.000 0.974 477 L CA -0.982 53.744 54.840 -0.190 0.000 0.826 477 L CB 1.945 43.820 42.059 -0.307 0.000 1.291 477 L HN -0.237 nan 8.230 nan 0.000 0.406 478 V N 4.268 124.150 119.914 -0.054 0.000 2.444 478 V HA 0.826 4.947 4.120 0.000 0.000 0.294 478 V C -0.032 176.059 176.094 -0.004 0.000 1.022 478 V CA -0.186 62.113 62.300 -0.002 0.000 0.850 478 V CB 1.345 33.181 31.823 0.021 0.000 0.992 478 V HN 0.926 nan 8.190 nan 0.000 0.426 479 T N 2.511 117.049 114.554 -0.026 0.000 2.671 479 T HA 0.908 5.258 4.350 0.000 0.000 0.300 479 T C -0.462 173.972 174.700 -0.443 0.000 1.238 479 T CA 0.235 62.262 62.100 -0.123 0.000 1.020 479 T CB 1.997 70.785 68.868 -0.133 0.000 1.503 479 T HN 1.394 nan 8.240 nan 0.000 0.497 480 G N 0.327 108.666 108.800 -0.769 0.000 2.320 480 G HA2 0.520 4.481 3.960 0.000 0.000 0.297 480 G HA3 0.520 4.481 3.960 0.000 0.000 0.297 480 G C -1.171 173.307 174.900 -0.703 0.000 1.344 480 G CA 0.461 44.887 45.100 -1.124 0.000 0.851 480 G HN 1.295 nan 8.290 nan 0.000 0.567 481 S N -0.347 115.139 115.700 -0.356 0.000 2.622 481 S HA 0.803 5.273 4.470 0.000 0.000 0.275 481 S C -3.128 171.441 174.600 -0.051 0.000 1.112 481 S CA -0.252 57.881 58.200 -0.112 0.000 0.837 481 S CB 2.126 65.257 63.200 -0.116 0.000 1.082 481 S HN 0.659 nan 8.310 nan 0.000 0.456 482 P HA 0.655 nan 4.420 nan 0.000 0.284 482 P C 0.354 177.597 177.300 -0.096 0.000 1.292 482 P CA 0.316 63.390 63.100 -0.043 0.000 0.800 482 P CB 1.045 32.735 31.700 -0.016 0.000 1.188 483 G N -2.586 106.128 108.800 -0.143 0.000 2.507 483 G HA2 0.209 4.169 3.960 0.000 0.000 0.205 483 G HA3 0.209 4.169 3.960 0.000 0.000 0.205 483 G C 0.592 175.287 174.900 -0.341 0.000 0.996 483 G CA 0.553 45.540 45.100 -0.188 0.000 0.776 483 G HN 0.864 nan 8.290 nan 0.000 0.532 484 G N 0.717 109.209 108.800 -0.513 0.000 2.622 484 G HA2 -0.150 3.810 3.960 0.000 0.000 0.307 484 G HA3 -0.150 3.810 3.960 0.000 0.000 0.307 484 G C 1.873 176.460 174.900 -0.522 0.000 1.226 484 G CA 2.676 47.185 45.100 -0.985 0.000 0.997 484 G HN 1.965 nan 8.290 nan 0.000 0.551 485 S N 0.154 115.609 115.700 -0.409 0.000 2.419 485 S HA -0.099 4.371 4.470 0.000 0.000 0.235 485 S C 2.091 176.644 174.600 -0.077 0.000 1.019 485 S CA 2.009 60.152 58.200 -0.094 0.000 0.982 485 S CB -0.155 63.103 63.200 0.097 0.000 0.789 485 S HN 0.694 nan 8.310 nan 0.000 0.490 486 R N 0.868 121.207 120.500 -0.269 0.000 2.307 486 R HA 0.404 4.744 4.340 0.000 0.000 0.199 486 R C 1.856 178.047 176.300 -0.182 0.000 1.000 486 R CA 0.480 56.352 56.100 -0.380 0.000 1.023 486 R CB -0.727 29.271 30.300 -0.504 0.000 0.908 486 R HN 0.500 nan 8.270 nan 0.000 0.473 487 I N 0.202 120.678 120.570 -0.157 0.000 2.163 487 I HA -0.318 3.852 4.170 0.000 0.000 0.243 487 I C 1.869 177.935 176.117 -0.085 0.000 1.085 487 I CA 1.505 62.730 61.300 -0.123 0.000 1.347 487 I CB -0.280 37.644 38.000 -0.126 0.000 1.044 487 I HN 0.117 nan 8.210 nan 0.000 0.408 488 I N 0.735 121.274 120.570 -0.051 0.000 2.151 488 I HA -0.333 3.837 4.170 0.000 0.000 0.243 488 I C 2.756 178.860 176.117 -0.022 0.000 1.080 488 I CA 2.261 63.545 61.300 -0.026 0.000 1.339 488 I CB -0.738 37.265 38.000 0.005 0.000 1.039 488 I HN 0.420 nan 8.210 nan 0.000 0.409 489 T N -3.216 111.348 114.554 0.017 0.000 2.904 489 T HA -0.085 4.265 4.350 0.000 0.000 0.267 489 T C 1.799 176.455 174.700 -0.074 0.000 1.059 489 T CA 1.467 63.560 62.100 -0.012 0.000 1.137 489 T CB -0.618 68.312 68.868 0.104 0.000 0.879 489 T HN 0.197 nan 8.240 nan 0.000 0.467 490 T N 1.884 116.394 114.554 -0.072 0.000 2.737 490 T HA -0.018 4.332 4.350 0.000 0.000 0.265 490 T C 2.102 176.753 174.700 -0.080 0.000 1.038 490 T CA 1.264 63.315 62.100 -0.081 0.000 1.144 490 T CB -0.524 68.291 68.868 -0.088 0.000 0.866 490 T HN 0.238 nan 8.240 nan 0.000 0.434 491 V N 1.639 121.500 119.914 -0.089 0.000 2.427 491 V HA -0.081 4.039 4.120 0.000 0.000 0.248 491 V C 2.385 178.438 176.094 -0.068 0.000 1.051 491 V CA 1.163 63.407 62.300 -0.093 0.000 1.048 491 V CB -0.664 31.094 31.823 -0.108 0.000 0.666 491 V HN 0.341 nan 8.190 nan 0.000 0.456 492 L N 0.150 121.335 121.223 -0.063 0.000 2.012 492 L HA -0.159 4.181 4.340 0.000 0.000 0.210 492 L C 1.655 178.495 176.870 -0.051 0.000 1.073 492 L CA 1.706 56.514 54.840 -0.054 0.000 0.748 492 L CB -0.554 41.470 42.059 -0.058 0.000 0.891 492 L HN 0.405 nan 8.230 nan 0.000 0.431 496 V N 1.312 121.190 119.914 -0.059 0.000 2.343 496 V HA -0.246 3.874 4.120 0.000 0.000 0.247 496 V C 2.050 177.970 176.094 -0.289 0.000 1.051 496 V CA 3.046 65.238 62.300 -0.179 0.000 1.036 496 V CB -0.895 30.827 31.823 -0.168 0.000 0.654 496 V HN 0.633 nan 8.190 nan 0.000 0.451 497 N N -0.077 118.573 118.700 -0.084 0.000 2.104 497 N HA -0.169 4.571 4.740 0.000 0.000 0.190 497 N C 1.977 177.527 175.510 0.067 0.000 1.024 497 N CA 1.584 54.685 53.050 0.085 0.000 0.853 497 N CB -0.138 38.441 38.487 0.154 0.000 1.008 497 N HN 0.396 nan 8.380 nan 0.000 0.424 498 S N 0.622 116.351 115.700 0.049 0.000 2.357 498 S HA 0.043 4.513 4.470 0.000 0.000 0.221 498 S C 1.991 176.757 174.600 0.275 0.000 1.031 498 S CA 0.640 58.915 58.200 0.125 0.000 0.982 498 S CB -0.015 63.203 63.200 0.030 0.000 0.853 498 S HN 0.232 nan 8.310 nan 0.000 0.458 499 I N 1.553 122.236 120.570 0.189 0.000 2.296 499 I HA -0.096 4.074 4.170 0.000 0.000 0.242 499 I C 1.889 177.995 176.117 -0.018 0.000 1.087 499 I CA 1.051 62.410 61.300 0.099 0.000 1.393 499 I CB -0.277 37.741 38.000 0.029 0.000 1.093 499 I HN 0.165 nan 8.210 nan 0.000 0.421 500 D N 0.239 120.543 120.400 -0.161 0.000 2.137 500 D HA -0.123 4.517 4.640 0.000 0.000 0.202 500 D C 1.678 177.947 176.300 -0.053 0.000 0.970 500 D CA 1.506 55.373 54.000 -0.221 0.000 0.837 500 D CB 0.013 40.520 40.800 -0.487 0.000 0.981 500 D HN 0.348 nan 8.370 nan 0.000 0.475 501 Y N -0.080 120.263 120.300 0.072 0.000 2.457 501 Y HA 0.345 4.895 4.550 0.001 0.000 0.263 501 Y C 1.747 177.683 175.900 0.059 0.000 1.164 501 Y CA -0.489 57.648 58.100 0.061 0.000 1.274 501 Y CB -0.190 38.309 38.460 0.064 0.000 1.097 501 Y HN -0.072 nan 8.280 nan 0.000 0.523 502 G N 1.281 110.189 108.800 0.181 0.000 2.283 502 G HA2 -0.307 3.654 3.960 0.000 0.000 0.280 502 G HA3 -0.307 3.654 3.960 0.000 0.000 0.280 502 G C 0.007 174.980 174.900 0.122 0.000 1.029 502 G CA 0.163 45.352 45.100 0.149 0.000 0.840 502 G HN 0.323 nan 8.290 nan 0.000 0.505 503 L N 0.654 121.953 121.223 0.126 0.000 2.371 503 L HA 0.260 4.600 4.340 0.000 0.000 0.272 503 L C 1.407 178.282 176.870 0.009 0.000 1.124 503 L CA -0.661 54.222 54.840 0.072 0.000 0.816 503 L CB 0.544 42.659 42.059 0.095 0.000 1.129 503 L HN 0.555 nan 8.230 nan 0.000 0.448 504 N N 1.430 120.110 118.700 -0.032 0.000 2.354 504 N HA -0.007 4.733 4.740 0.000 0.000 0.246 504 N C 0.884 176.336 175.510 -0.096 0.000 1.285 504 N CA -0.728 52.262 53.050 -0.100 0.000 0.925 504 N CB 1.489 39.897 38.487 -0.131 0.000 1.174 504 N HN 0.401 nan 8.380 nan 0.000 0.478 505 V N 1.075 120.909 119.914 -0.134 0.000 2.380 505 V HA -0.281 3.839 4.120 0.000 0.000 0.251 505 V C 2.388 178.451 176.094 -0.053 0.000 1.063 505 V CA 2.559 64.795 62.300 -0.107 0.000 1.055 505 V CB -1.150 30.611 31.823 -0.103 0.000 0.657 505 V HN 0.867 nan 8.190 nan 0.000 0.455 506 A N -0.867 121.932 122.820 -0.036 0.000 1.897 506 A HA -0.168 4.153 4.320 0.000 0.000 0.215 506 A C 2.035 179.610 177.584 -0.015 0.000 1.181 506 A CA 1.537 53.564 52.037 -0.016 0.000 0.620 506 A CB -0.504 18.493 19.000 -0.005 0.000 0.821 506 A HN 0.667 nan 8.150 nan 0.000 0.443 507 E N -0.023 120.167 120.200 -0.017 0.000 2.077 507 E HA -0.133 4.217 4.350 0.000 0.000 0.193 507 E C 2.272 178.877 176.600 0.008 0.000 0.989 507 E CA 1.003 57.400 56.400 -0.005 0.000 0.800 507 E CB -0.295 29.405 29.700 0.001 0.000 0.746 507 E HN 0.606 nan 8.360 nan 0.000 0.452 508 A N 0.813 123.636 122.820 0.006 0.000 1.933 508 A HA -0.166 4.155 4.320 0.000 0.000 0.218 508 A C 2.343 179.933 177.584 0.011 0.000 1.175 508 A CA 1.788 53.838 52.037 0.022 0.000 0.628 508 A CB -0.712 18.286 19.000 -0.003 0.000 0.814 508 A HN 0.167 nan 8.150 nan 0.000 0.444 509 T N 0.401 114.950 114.554 -0.008 0.000 2.812 509 T HA -0.077 4.273 4.350 0.000 0.000 0.264 509 T C 1.670 176.366 174.700 -0.007 0.000 1.042 509 T CA 1.268 63.363 62.100 -0.010 0.000 1.140 509 T CB -0.319 68.542 68.868 -0.012 0.000 0.870 509 T HN 0.527 nan 8.240 nan 0.000 0.445 510 N N 1.244 119.939 118.700 -0.009 0.000 2.463 510 N HA 0.158 4.899 4.740 0.000 0.000 0.181 510 N C 0.658 176.152 175.510 -0.028 0.000 1.078 510 N CA -0.074 52.966 53.050 -0.017 0.000 0.902 510 N CB 0.069 38.546 38.487 -0.017 0.000 0.970 510 N HN 0.334 nan 8.380 nan 0.000 0.451 511 A N 2.869 125.680 122.820 -0.015 0.000 2.445 511 A HA 0.247 4.567 4.320 0.000 0.000 0.242 511 A C -1.922 175.635 177.584 -0.046 0.000 1.075 511 A CA -0.910 51.111 52.037 -0.027 0.000 0.777 511 A CB -0.082 18.937 19.000 0.032 0.000 1.013 511 A HN 0.028 nan 8.150 nan 0.000 0.493 512 P HA 0.269 nan 4.420 nan 0.000 0.272 512 P C -0.738 176.615 177.300 0.088 0.000 1.230 512 P CA 0.026 62.992 63.100 -0.223 0.000 0.788 512 P CB 0.668 31.894 31.700 -0.790 0.000 0.949 513 R N 1.048 121.696 120.500 0.247 0.000 2.778 513 R HA 0.687 5.027 4.340 0.000 0.000 0.277 513 R C -0.279 176.364 176.300 0.571 0.000 0.977 513 R CA -0.628 55.692 56.100 0.367 0.000 0.950 513 R CB 1.280 31.659 30.300 0.131 0.000 1.165 513 R HN 0.503 nan 8.270 nan 0.000 0.474 514 F N -1.009 119.119 119.950 0.296 0.000 2.620 514 F HA 0.701 5.228 4.527 0.000 0.000 0.320 514 F C -0.808 175.113 175.800 0.201 0.000 1.069 514 F CA -1.183 56.913 58.000 0.159 0.000 0.953 514 F CB 1.637 40.577 39.000 -0.100 0.000 1.322 514 F HN 0.579 nan 8.300 nan 0.000 0.479 515 H N 0.077 119.224 119.070 0.129 0.000 3.123 515 H HA 0.393 4.949 4.556 0.000 0.000 0.346 515 H C -2.329 173.079 175.328 0.133 0.000 1.138 515 H CA -0.537 55.530 56.048 0.031 0.000 1.273 515 H CB 1.250 31.010 29.762 -0.003 0.000 1.926 515 H HN 0.925 nan 8.280 nan 0.000 0.524 516 H N 4.230 123.019 119.070 -0.469 0.000 2.840 516 H HA 0.180 4.736 4.556 0.000 0.000 0.340 516 H C -0.815 174.244 175.328 -0.450 0.000 1.004 516 H CA -0.438 55.413 56.048 -0.328 0.000 1.288 516 H CB 1.752 31.483 29.762 -0.052 0.000 1.607 516 H HN 0.895 nan 8.280 nan 0.000 0.522 517 Q N 3.903 123.585 119.800 -0.197 0.000 2.186 517 Q HA 0.141 4.481 4.340 0.000 0.000 0.241 517 Q C 0.533 176.757 176.000 0.374 0.000 0.849 517 Q CA -0.572 55.265 55.803 0.056 0.000 1.053 517 Q CB 0.555 29.357 28.738 0.108 0.000 1.146 517 Q HN 0.744 nan 8.270 nan 0.000 0.475 518 W N 0.526 122.010 121.300 0.308 0.000 0.649 518 W HA -0.342 4.318 4.660 0.000 0.000 0.221 518 W C -1.433 175.190 176.519 0.173 0.000 1.002 518 W CA 1.574 59.048 57.345 0.215 0.000 0.879 518 W CB -1.157 28.353 29.460 0.082 0.000 1.806 518 W HN 0.316 nan 8.180 nan 0.000 0.496 519 L N 1.703 122.916 121.223 -0.017 0.000 2.376 519 L HA 0.525 4.866 4.340 0.000 0.000 0.275 519 L C -1.920 174.917 176.870 -0.055 0.000 0.987 519 L CA -1.741 52.949 54.840 -0.249 0.000 0.828 519 L CB 1.113 42.848 42.059 -0.541 0.000 1.249 519 L HN -0.250 nan 8.230 nan 0.000 0.409 520 P HA 0.066 nan 4.420 nan 0.000 0.272 520 P C -0.713 176.513 177.300 -0.123 0.000 1.223 520 P CA -0.380 62.658 63.100 -0.104 0.000 0.784 520 P CB 0.535 32.194 31.700 -0.068 0.000 0.923 521 D N 2.457 122.801 120.400 -0.093 0.000 2.470 521 D HA 0.072 4.713 4.640 0.000 0.000 0.226 521 D C -0.450 175.814 176.300 -0.061 0.000 1.196 521 D CA 0.037 54.041 54.000 0.008 0.000 0.979 521 D CB -0.478 40.345 40.800 0.038 0.000 1.059 521 D HN 0.417 nan 8.370 nan 0.000 0.515 522 E N 1.342 121.342 120.200 -0.332 0.000 2.363 522 E HA 0.280 4.630 4.350 0.000 0.000 0.281 522 E C -1.454 174.890 176.600 -0.428 0.000 0.953 522 E CA -1.078 55.182 56.400 -0.234 0.000 0.778 522 E CB 0.838 30.461 29.700 -0.128 0.000 1.220 522 E HN 0.077 nan 8.360 nan 0.000 0.431 523 L N 2.642 123.808 121.223 -0.095 0.000 2.302 523 L HA 0.357 4.697 4.340 0.000 0.000 0.285 523 L C -0.093 176.797 176.870 0.033 0.000 1.090 523 L CA -0.133 54.724 54.840 0.030 0.000 0.866 523 L CB 0.305 42.436 42.059 0.121 0.000 1.244 523 L HN 0.658 nan 8.230 nan 0.000 0.435 524 R N 4.172 124.707 120.500 0.058 0.000 2.491 524 R HA 0.584 4.924 4.340 0.000 0.000 0.283 524 R C -0.960 175.450 176.300 0.184 0.000 1.072 524 R CA -0.150 56.021 56.100 0.119 0.000 1.048 524 R CB 0.745 31.147 30.300 0.170 0.000 0.983 524 R HN 0.566 nan 8.270 nan 0.000 0.450 525 V N 0.005 120.021 119.914 0.170 0.000 3.078 525 V HA 0.565 4.685 4.120 0.000 0.000 0.311 525 V C -0.684 175.572 176.094 0.271 0.000 1.138 525 V CA -1.017 61.441 62.300 0.264 0.000 1.007 525 V CB 2.062 34.001 31.823 0.192 0.000 1.045 525 V HN 0.870 nan 8.190 nan 0.000 0.432 526 E N 0.729 121.150 120.200 0.367 0.000 2.302 526 E HA 0.465 4.815 4.350 0.000 0.000 0.255 526 E C -0.766 175.947 176.600 0.189 0.000 1.099 526 E CA -1.048 55.477 56.400 0.208 0.000 0.929 526 E CB 1.279 31.063 29.700 0.140 0.000 1.203 526 E HN 0.662 nan 8.360 nan 0.000 0.459 527 K N -0.267 120.181 120.400 0.079 0.000 2.319 527 K HA 0.286 4.606 4.320 0.000 0.000 0.265 527 K C 0.588 177.148 176.600 -0.067 0.000 1.000 527 K CA 0.679 56.989 56.287 0.038 0.000 0.943 527 K CB 0.579 33.087 32.500 0.012 0.000 0.950 527 K HN 0.791 nan 8.250 nan 0.000 0.485 528 G N 1.298 110.037 108.800 -0.101 0.000 2.367 528 G HA2 -0.177 3.784 3.960 0.000 0.000 0.181 528 G HA3 -0.177 3.784 3.960 0.000 0.000 0.181 528 G C -0.363 174.313 174.900 -0.372 0.000 1.000 528 G CA -0.735 44.203 45.100 -0.269 0.000 0.693 528 G HN 0.423 nan 8.290 nan 0.000 0.480 529 F N 2.012 121.972 119.950 0.016 0.000 2.379 529 F HA 0.707 5.235 4.527 0.000 0.000 0.332 529 F C 1.144 176.938 175.800 -0.010 0.000 1.096 529 F CA -0.193 57.806 58.000 -0.001 0.000 1.105 529 F CB 1.808 40.803 39.000 -0.008 0.000 1.189 529 F HN 0.042 nan 8.300 nan 0.000 0.515 530 S N 2.660 118.460 115.700 0.167 0.000 2.562 530 S HA 0.125 4.595 4.470 0.000 0.000 0.281 530 S C -1.638 173.005 174.600 0.072 0.000 1.333 530 S CA -1.118 57.131 58.200 0.082 0.000 1.052 530 S CB 0.895 64.126 63.200 0.051 0.000 0.884 530 S HN 0.352 nan 8.310 nan 0.000 0.506 531 P HA -0.056 nan 4.420 nan 0.000 0.218 531 P C 0.724 178.035 177.300 0.019 0.000 1.149 531 P CA 0.896 64.016 63.100 0.033 0.000 0.817 531 P CB 0.090 31.804 31.700 0.023 0.000 0.785 532 D N -1.315 119.095 120.400 0.016 0.000 2.117 532 D HA -0.104 4.537 4.640 0.000 0.000 0.197 532 D C 1.801 178.100 176.300 -0.002 0.000 0.987 532 D CA 1.431 55.434 54.000 0.005 0.000 0.829 532 D CB -0.876 39.926 40.800 0.003 0.000 0.961 532 D HN 0.155 nan 8.370 nan 0.000 0.460 533 T N 1.270 115.826 114.554 0.003 0.000 2.812 533 T HA -0.005 4.345 4.350 0.000 0.000 0.264 533 T C 2.228 176.902 174.700 -0.044 0.000 1.042 533 T CA 0.378 62.467 62.100 -0.020 0.000 1.140 533 T CB -0.157 68.710 68.868 -0.002 0.000 0.870 533 T HN 0.106 nan 8.240 nan 0.000 0.445 534 L N 0.507 121.717 121.223 -0.022 0.000 2.131 534 L HA -0.081 4.260 4.340 0.000 0.000 0.210 534 L C 2.584 179.436 176.870 -0.031 0.000 1.092 534 L CA 1.293 56.111 54.840 -0.038 0.000 0.759 534 L CB -0.475 41.584 42.059 0.001 0.000 0.903 534 L HN 0.245 nan 8.230 nan 0.000 0.435 535 K N 0.218 120.608 120.400 -0.017 0.000 2.057 535 K HA -0.120 4.200 4.320 0.000 0.000 0.206 535 K C 2.117 178.703 176.600 -0.023 0.000 1.050 535 K CA 1.062 57.340 56.287 -0.015 0.000 0.935 535 K CB -0.154 32.341 32.500 -0.008 0.000 0.715 535 K HN 0.236 nan 8.250 nan 0.000 0.439 536 L N 0.962 122.167 121.223 -0.029 0.000 2.046 536 L HA -0.192 4.148 4.340 0.000 0.000 0.208 536 L C 2.348 179.192 176.870 -0.044 0.000 1.077 536 L CA 1.056 55.876 54.840 -0.034 0.000 0.747 536 L CB -0.424 41.613 42.059 -0.037 0.000 0.896 536 L HN 0.181 nan 8.230 nan 0.000 0.432 537 L N -0.513 120.672 121.223 -0.063 0.000 2.046 537 L HA -0.218 4.122 4.340 0.000 0.000 0.208 537 L C 2.538 179.380 176.870 -0.046 0.000 1.077 537 L CA 1.349 56.144 54.840 -0.075 0.000 0.747 537 L CB -0.450 41.537 42.059 -0.120 0.000 0.896 537 L HN 0.297 nan 8.230 nan 0.000 0.432 538 E N -0.008 120.171 120.200 -0.035 0.000 2.106 538 E HA -0.199 4.151 4.350 0.000 0.000 0.192 538 E C 2.262 178.854 176.600 -0.015 0.000 0.984 538 E CA 1.051 57.439 56.400 -0.019 0.000 0.806 538 E CB -0.146 29.546 29.700 -0.014 0.000 0.750 538 E HN 0.498 nan 8.360 nan 0.000 0.458 539 A N 1.493 124.302 122.820 -0.017 0.000 2.015 539 A HA -0.169 4.151 4.320 0.000 0.000 0.219 539 A C 1.816 179.391 177.584 -0.014 0.000 1.163 539 A CA 1.135 53.164 52.037 -0.014 0.000 0.646 539 A CB -0.174 18.817 19.000 -0.014 0.000 0.806 539 A HN 0.036 nan 8.150 nan 0.000 0.448 540 K N -1.561 118.827 120.400 -0.020 0.000 2.486 540 K HA 0.180 4.500 4.320 0.000 0.000 0.194 540 K C 1.095 177.688 176.600 -0.012 0.000 1.033 540 K CA 0.512 56.788 56.287 -0.019 0.000 1.004 540 K CB -0.016 32.467 32.500 -0.029 0.000 0.798 540 K HN 0.648 nan 8.250 nan 0.000 0.495 541 G N 0.721 109.516 108.800 -0.008 0.000 2.179 541 G HA2 -0.192 3.768 3.960 0.000 0.000 0.220 541 G HA3 -0.192 3.768 3.960 0.000 0.000 0.220 541 G C -0.172 174.735 174.900 0.011 0.000 0.990 541 G CA -0.479 44.622 45.100 0.001 0.000 0.646 541 G HN 0.125 nan 8.290 nan 0.000 0.517 542 Q N 0.527 120.331 119.800 0.006 0.000 2.352 542 Q HA 0.338 4.678 4.340 0.000 0.000 0.260 542 Q C 0.260 176.275 176.000 0.026 0.000 0.976 542 Q CA 0.346 56.166 55.803 0.027 0.000 0.881 542 Q CB 0.757 29.498 28.738 0.005 0.000 1.235 542 Q HN 0.445 nan 8.270 nan 0.000 0.419 543 K N 1.842 122.271 120.400 0.048 0.000 2.291 543 K HA 0.261 4.581 4.320 0.000 0.000 0.242 543 K C -0.573 176.036 176.600 0.015 0.000 1.098 543 K CA -0.315 55.987 56.287 0.025 0.000 1.036 543 K CB 0.614 33.130 32.500 0.026 0.000 1.655 543 K HN 0.281 nan 8.250 nan 0.000 0.432 544 V N 2.165 122.082 119.914 0.005 0.000 2.529 544 V HA 0.114 4.234 4.120 0.000 0.000 0.292 544 V C 0.362 176.462 176.094 0.011 0.000 1.028 544 V CA -0.121 62.180 62.300 0.001 0.000 1.074 544 V CB 0.805 32.620 31.823 -0.013 0.000 0.958 544 V HN 0.706 nan 8.190 nan 0.000 0.481 545 A N 6.043 128.875 122.820 0.020 0.000 2.375 545 A HA 0.675 4.995 4.320 0.000 0.000 0.291 545 A C -0.914 176.701 177.584 0.052 0.000 1.160 545 A CA -0.597 51.457 52.037 0.028 0.000 0.747 545 A CB 0.983 19.992 19.000 0.016 0.000 1.170 545 A HN 0.807 nan 8.150 nan 0.000 0.458 546 L N 2.877 124.133 121.223 0.055 0.000 2.369 546 L HA 0.489 4.829 4.340 0.000 0.000 0.279 546 L C 0.032 176.940 176.870 0.063 0.000 1.108 546 L CA 0.937 55.821 54.840 0.074 0.000 0.852 546 L CB -0.060 42.040 42.059 0.069 0.000 1.169 546 L HN 0.722 nan 8.230 nan 0.000 0.452 547 K N 2.914 123.358 120.400 0.073 0.000 2.263 547 K HA 0.409 4.730 4.320 0.000 0.000 0.249 547 K C -0.814 175.818 176.600 0.054 0.000 1.076 547 K CA -0.959 55.361 56.287 0.056 0.000 0.884 547 K CB 1.248 33.780 32.500 0.053 0.000 1.394 547 K HN 0.699 nan 8.250 nan 0.000 0.476 548 E N 0.588 120.812 120.200 0.040 0.000 2.425 548 E HA 0.255 4.605 4.350 0.000 0.000 0.258 548 E C -0.161 176.459 176.600 0.032 0.000 1.151 548 E CA -0.595 55.824 56.400 0.032 0.000 0.958 548 E CB 0.439 30.153 29.700 0.024 0.000 0.968 548 E HN 0.536 nan 8.360 nan 0.000 0.451 552 S N 0.051 115.741 115.700 -0.016 0.000 2.479 552 S HA 0.501 4.972 4.470 0.000 0.000 0.169 552 S C 0.019 174.629 174.600 0.017 0.000 1.181 552 S CA 0.309 58.512 58.200 0.006 0.000 1.169 552 S CB -0.280 62.931 63.200 0.019 0.000 1.384 552 S HN 1.571 nan 8.310 nan 0.000 0.412 553 T N 2.252 116.805 114.554 -0.002 0.000 2.884 553 T HA 0.550 4.901 4.350 0.000 0.000 0.298 553 T C -0.499 174.225 174.700 0.040 0.000 0.998 553 T CA -0.465 61.629 62.100 -0.010 0.000 1.124 553 T CB 0.999 69.843 68.868 -0.040 0.000 0.931 553 T HN 0.439 nan 8.240 nan 0.000 0.531 554 Q N 2.349 122.208 119.800 0.099 0.000 2.397 554 Q HA 0.457 4.797 4.340 0.000 0.000 0.260 554 Q C -1.043 175.036 176.000 0.131 0.000 1.002 554 Q CA -0.434 55.447 55.803 0.131 0.000 0.716 554 Q CB 2.026 30.879 28.738 0.193 0.000 1.258 554 Q HN 0.845 nan 8.270 nan 0.000 0.477 555 S N 1.989 117.723 115.700 0.056 0.000 2.634 555 S HA 0.810 5.280 4.470 0.000 0.000 0.296 555 S C 0.074 174.680 174.600 0.008 0.000 1.104 555 S CA -0.571 57.644 58.200 0.024 0.000 0.920 555 S CB 1.834 65.014 63.200 -0.032 0.000 1.111 555 S HN 0.455 nan 8.310 nan 0.000 0.493 559 G N 4.261 113.235 108.800 0.291 0.000 2.651 559 G HA2 0.491 4.451 3.960 0.000 0.000 0.260 559 G HA3 0.491 4.451 3.960 0.000 0.000 0.260 559 G C -0.757 174.277 174.900 0.223 0.000 1.216 559 G CA -0.459 44.852 45.100 0.352 0.000 0.913 559 G HN 0.551 nan 8.290 nan 0.000 0.535 560 P HA -0.073 nan 4.420 nan 0.000 0.218 560 P C 0.455 177.808 177.300 0.089 0.000 1.149 560 P CA 1.152 64.327 63.100 0.125 0.000 0.817 560 P CB 0.305 32.065 31.700 0.099 0.000 0.785 561 D N -1.231 119.221 120.400 0.087 0.000 2.340 561 D HA 0.156 4.796 4.640 0.000 0.000 0.220 561 D C 1.643 177.962 176.300 0.032 0.000 1.039 561 D CA 1.049 55.079 54.000 0.051 0.000 0.866 561 D CB -0.313 40.514 40.800 0.044 0.000 0.913 561 D HN 0.270 nan 8.370 nan 0.000 0.523 562 G N 0.742 109.570 108.800 0.046 0.000 2.176 562 G HA2 -0.272 3.688 3.960 0.000 0.000 0.232 562 G HA3 -0.272 3.688 3.960 0.000 0.000 0.232 562 G C 0.067 174.946 174.900 -0.036 0.000 0.986 562 G CA -0.053 45.055 45.100 0.015 0.000 0.643 562 G HN 0.369 nan 8.290 nan 0.000 0.522 563 E N 0.415 120.579 120.200 -0.059 0.000 2.408 563 E HA 0.614 4.964 4.350 0.000 0.000 0.259 563 E C 0.625 177.045 176.600 -0.300 0.000 1.110 563 E CA -0.105 56.175 56.400 -0.199 0.000 0.929 563 E CB 0.695 30.244 29.700 -0.251 0.000 0.971 563 E HN 0.427 nan 8.360 nan 0.000 0.438 564 L N 1.683 122.655 121.223 -0.419 0.000 2.329 564 L HA 0.473 4.814 4.340 0.000 0.000 0.279 564 L C -0.919 175.608 176.870 -0.571 0.000 1.014 564 L CA -0.973 53.651 54.840 -0.360 0.000 0.814 564 L CB 0.598 42.537 42.059 -0.200 0.000 1.257 564 L HN 0.517 nan 8.230 nan 0.000 0.424 565 Y N 0.622 120.889 120.300 -0.056 0.000 2.391 565 Y HA 0.728 5.278 4.550 0.000 0.000 0.341 565 Y C 0.505 176.368 175.900 -0.061 0.000 0.965 565 Y CA -0.731 57.336 58.100 -0.056 0.000 1.067 565 Y CB 2.373 40.793 38.460 -0.067 0.000 1.199 565 Y HN 0.579 nan 8.280 nan 0.000 0.450 566 G N 0.636 109.488 108.800 0.086 0.000 2.642 566 G HA2 0.836 4.796 3.960 0.000 0.000 0.293 566 G HA3 0.836 4.796 3.960 0.000 0.000 0.293 566 G C -1.836 173.085 174.900 0.035 0.000 1.341 566 G CA -1.012 44.112 45.100 0.040 0.000 0.916 566 G HN 0.825 nan 8.290 nan 0.000 0.474 567 A N 0.105 122.938 122.820 0.021 0.000 2.513 567 A HA 0.786 5.106 4.320 0.000 0.000 0.296 567 A C -0.349 177.246 177.584 0.019 0.000 1.052 567 A CA -0.414 51.633 52.037 0.016 0.000 0.714 567 A CB 1.488 20.491 19.000 0.004 0.000 1.279 567 A HN 0.903 nan 8.150 nan 0.000 0.397 568 S N 0.610 116.322 115.700 0.020 0.000 2.687 568 S HA 0.472 4.942 4.470 0.000 0.000 0.283 568 S C -0.496 174.113 174.600 0.016 0.000 1.170 568 S CA -0.455 57.760 58.200 0.024 0.000 1.008 568 S CB 1.087 64.301 63.200 0.024 0.000 1.026 568 S HN 0.761 nan 8.310 nan 0.000 0.541 569 D N 1.719 122.129 120.400 0.017 0.000 2.308 569 D HA 0.203 4.843 4.640 0.000 0.000 0.251 569 D C -1.388 174.915 176.300 0.005 0.000 1.127 569 D CA -1.827 52.177 54.000 0.008 0.000 0.876 569 D CB 1.443 42.248 40.800 0.008 0.000 1.176 569 D HN 0.151 nan 8.370 nan 0.000 0.446 570 P HA -0.071 nan 4.420 nan 0.000 0.223 570 P C 0.907 178.206 177.300 -0.001 0.000 1.151 570 P CA 0.646 63.746 63.100 -0.001 0.000 0.787 570 P CB 0.464 32.160 31.700 -0.006 0.000 0.788 571 R N 0.634 121.134 120.500 -0.001 0.000 2.189 571 R HA 0.021 4.362 4.340 0.000 0.000 0.223 571 R C 0.966 177.267 176.300 0.002 0.000 1.092 571 R CA 0.857 56.957 56.100 -0.000 0.000 0.989 571 R CB -0.337 29.962 30.300 -0.002 0.000 0.876 571 R HN 0.289 nan 8.270 nan 0.000 0.457 572 S N 0.537 116.240 115.700 0.004 0.000 2.474 572 S HA 0.440 4.910 4.470 0.000 0.000 0.321 572 S C 0.126 174.730 174.600 0.007 0.000 1.080 572 S CA -1.128 57.075 58.200 0.005 0.000 1.106 572 S CB 1.679 64.884 63.200 0.009 0.000 0.984 572 S HN 0.071 nan 8.310 nan 0.000 0.464 573 V N -0.531 119.387 119.914 0.006 0.000 2.953 573 V HA 0.505 4.625 4.120 0.000 0.000 0.304 573 V C 0.302 176.401 176.094 0.007 0.000 1.073 573 V CA -0.423 61.881 62.300 0.006 0.000 1.064 573 V CB -0.013 31.814 31.823 0.007 0.000 1.047 573 V HN 0.945 nan 8.190 nan 0.000 0.478 574 D N -0.096 120.308 120.400 0.007 0.000 3.076 574 D HA -0.152 4.489 4.640 0.000 0.000 0.218 574 D C 0.143 176.447 176.300 0.006 0.000 1.156 574 D CA 1.620 55.624 54.000 0.006 0.000 0.921 574 D CB -1.059 39.745 40.800 0.007 0.000 1.113 574 D HN 1.110 nan 8.370 nan 0.000 0.418 575 D N 0.359 120.765 120.400 0.009 0.000 2.506 575 D HA 0.665 5.305 4.640 0.000 0.000 0.272 575 D C 0.250 176.556 176.300 0.011 0.000 1.214 575 D CA -0.708 53.299 54.000 0.012 0.000 1.067 575 D CB 1.230 42.042 40.800 0.020 0.000 1.117 575 D HN 0.154 nan 8.370 nan 0.000 0.578 576 L N -2.063 119.168 121.223 0.013 0.000 2.643 576 L HA 0.438 4.778 4.340 0.000 0.000 0.256 576 L C -1.634 175.246 176.870 0.016 0.000 0.931 576 L CA -0.009 54.837 54.840 0.012 0.000 0.895 576 L CB 2.233 44.295 42.059 0.004 0.000 1.430 576 L HN 0.544 nan 8.230 nan 0.000 0.419 577 T N 3.461 118.026 114.554 0.018 0.000 2.809 577 T HA 0.956 5.306 4.350 0.000 0.000 0.284 577 T C -0.688 174.023 174.700 0.018 0.000 0.992 577 T CA 0.081 62.194 62.100 0.021 0.000 0.957 577 T CB 1.395 70.277 68.868 0.024 0.000 0.942 577 T HN 0.905 nan 8.240 nan 0.000 0.439 578 A N 2.309 125.141 122.820 0.020 0.000 2.594 578 A HA 1.052 5.372 4.320 0.000 0.000 0.291 578 A C -0.156 177.453 177.584 0.042 0.000 1.105 578 A CA -0.428 51.624 52.037 0.025 0.000 0.694 578 A CB 1.789 20.802 19.000 0.022 0.000 1.291 578 A HN 1.088 nan 8.150 nan 0.000 0.410 579 G N -1.449 107.387 108.800 0.060 0.000 2.664 579 G HA2 0.750 4.710 3.960 0.000 0.000 0.303 579 G HA3 0.750 4.710 3.960 0.000 0.000 0.303 579 G C -1.179 173.840 174.900 0.199 0.000 1.243 579 G CA 0.341 45.509 45.100 0.114 0.000 0.826 579 G HN 2.101 nan 8.290 nan 0.000 0.498 580 Y N 0.000 120.279 120.300 -0.035 0.000 2.660 580 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 580 Y CA 0.000 58.081 58.100 -0.032 0.000 1.940 580 Y CB 0.000 38.445 38.460 -0.025 0.000 1.050 580 Y HN 0.000 nan 8.280 nan 0.000 0.758