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 2dbw_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 0.000 174.705 174.700 0.009 0.000 1.109 391 T CA 0.000 62.083 62.100 -0.028 0.000 1.349 391 T CB 0.000 68.854 68.868 -0.023 0.000 0.612 392 T N 1.140 115.746 114.554 0.087 0.000 2.932 392 T HA 0.558 4.909 4.350 0.000 0.000 0.318 392 T C -2.156 172.687 174.700 0.238 0.000 1.265 392 T CA -0.592 61.601 62.100 0.155 0.000 1.036 392 T CB 1.405 70.373 68.868 0.167 0.000 1.209 392 T HN 0.710 nan 8.240 nan 0.000 0.484 393 H N 2.989 122.128 119.070 0.116 0.000 2.637 393 H HA 0.632 5.188 4.556 0.000 0.000 0.363 393 H C -1.661 173.739 175.328 0.121 0.000 1.131 393 H CA -0.448 55.625 56.048 0.041 0.000 1.183 393 H CB 1.618 31.366 29.762 -0.022 0.000 1.637 393 H HN 0.775 nan 8.280 nan 0.000 0.531 394 Y N 0.468 120.310 120.300 -0.762 0.000 2.562 394 Y HA 0.650 5.200 4.550 0.000 0.000 0.345 394 Y C -1.423 174.192 175.900 -0.475 0.000 1.045 394 Y CA -0.949 56.912 58.100 -0.399 0.000 1.028 394 Y CB 1.347 39.681 38.460 -0.211 0.000 1.297 394 Y HN 0.388 nan 8.280 nan 0.000 0.463 395 S N 1.208 116.930 115.700 0.036 0.000 2.548 395 S HA 0.846 5.317 4.470 0.000 0.000 0.286 395 S C -1.412 173.239 174.600 0.085 0.000 1.098 395 S CA -0.790 57.434 58.200 0.040 0.000 0.930 395 S CB 2.062 65.330 63.200 0.113 0.000 1.070 395 S HN 0.621 nan 8.310 nan 0.000 0.480 396 V N 1.992 121.941 119.914 0.058 0.000 2.808 396 V HA 0.655 4.775 4.120 0.000 0.000 0.308 396 V C -1.149 174.966 176.094 0.035 0.000 1.099 396 V CA -0.641 61.693 62.300 0.056 0.000 0.920 396 V CB 2.034 33.899 31.823 0.069 0.000 1.014 396 V HN 0.681 nan 8.190 nan 0.000 0.425 397 V N 3.460 123.392 119.914 0.030 0.000 2.623 397 V HA 0.494 4.614 4.120 0.000 0.000 0.304 397 V C -0.859 175.248 176.094 0.021 0.000 1.054 397 V CA -0.644 61.667 62.300 0.018 0.000 0.882 397 V CB 2.118 33.944 31.823 0.004 0.000 1.002 397 V HN 1.101 nan 8.190 nan 0.000 0.424 398 D N 3.461 123.875 120.400 0.023 0.000 2.437 398 D HA 0.265 4.906 4.640 0.000 0.000 0.259 398 D C 1.051 177.350 176.300 -0.000 0.000 1.118 398 D CA -0.798 53.222 54.000 0.034 0.000 1.017 398 D CB 0.895 41.723 40.800 0.047 0.000 1.120 398 D HN 0.535 nan 8.370 nan 0.000 0.541 399 K N -0.732 119.666 120.400 -0.003 0.000 2.360 399 K HA -0.137 4.183 4.320 0.000 0.000 0.201 399 K C 0.048 176.635 176.600 -0.022 0.000 1.046 399 K CA 1.076 57.336 56.287 -0.045 0.000 0.945 399 K CB -0.152 32.322 32.500 -0.043 0.000 0.750 399 K HN 0.207 nan 8.250 nan 0.000 0.464 400 D N 0.152 120.552 120.400 -0.001 0.000 2.350 400 D HA 0.065 4.706 4.640 0.000 0.000 0.213 400 D C 1.086 177.388 176.300 0.004 0.000 1.031 400 D CA 1.009 55.011 54.000 0.003 0.000 0.861 400 D CB 0.860 41.666 40.800 0.010 0.000 0.926 400 D HN 0.529 nan 8.370 nan 0.000 0.520 401 G N 0.680 109.481 108.800 0.003 0.000 2.179 401 G HA2 -0.234 3.727 3.960 0.000 0.000 0.220 401 G HA3 -0.234 3.727 3.960 0.000 0.000 0.220 401 G C 0.201 175.110 174.900 0.015 0.000 0.990 401 G CA -0.504 44.602 45.100 0.009 0.000 0.646 401 G HN 0.179 nan 8.290 nan 0.000 0.517 402 N N 1.172 119.880 118.700 0.014 0.000 2.518 402 N HA 0.570 5.310 4.740 0.000 0.000 0.266 402 N C 0.222 175.742 175.510 0.016 0.000 1.196 402 N CA 0.990 54.049 53.050 0.015 0.000 0.947 402 N CB 1.538 40.033 38.487 0.014 0.000 1.098 402 N HN 0.880 nan 8.380 nan 0.000 0.450 403 A N 1.303 124.132 122.820 0.015 0.000 2.435 403 A HA 0.721 5.041 4.320 0.000 0.000 0.304 403 A C -0.852 176.735 177.584 0.005 0.000 1.064 403 A CA -0.581 51.464 52.037 0.014 0.000 0.727 403 A CB 1.369 20.380 19.000 0.018 0.000 1.284 403 A HN 0.352 nan 8.150 nan 0.000 0.415 404 V N 0.354 120.268 119.914 -0.000 0.000 2.808 404 V HA 0.780 4.900 4.120 0.000 0.000 0.308 404 V C -0.125 175.935 176.094 -0.057 0.000 1.099 404 V CA -0.209 62.075 62.300 -0.027 0.000 0.920 404 V CB 1.815 33.624 31.823 -0.023 0.000 1.014 404 V HN 1.548 nan 8.190 nan 0.000 0.425 405 A N 3.927 126.693 122.820 -0.090 0.000 2.335 405 A HA 0.905 5.225 4.320 0.000 0.000 0.304 405 A C -1.193 176.222 177.584 -0.281 0.000 1.118 405 A CA -0.542 51.428 52.037 -0.111 0.000 0.757 405 A CB 1.687 20.741 19.000 0.090 0.000 1.188 405 A HN 0.741 nan 8.150 nan 0.000 0.460 406 V N 2.122 121.601 119.914 -0.724 0.000 2.588 406 V HA 0.665 4.786 4.120 0.000 0.000 0.304 406 V C -0.255 175.395 176.094 -0.739 0.000 1.042 406 V CA -0.354 61.462 62.300 -0.806 0.000 0.877 406 V CB 2.091 33.121 31.823 -1.322 0.000 0.996 406 V HN 0.905 nan 8.190 nan 0.000 0.425 407 T N 5.513 119.924 114.554 -0.239 0.000 2.847 407 T HA 0.657 5.007 4.350 0.000 0.000 0.291 407 T C -0.916 173.853 174.700 0.115 0.000 0.998 407 T CA -0.414 61.695 62.100 0.016 0.000 0.967 407 T CB 0.725 69.676 68.868 0.138 0.000 0.954 407 T HN 0.724 nan 8.240 nan 0.000 0.441 408 Y N -0.066 120.207 120.300 -0.045 0.000 2.644 408 Y HA 0.894 5.444 4.550 0.000 0.000 0.338 408 Y C -0.528 175.373 175.900 0.002 0.000 1.119 408 Y CA -1.137 56.953 58.100 -0.016 0.000 1.060 408 Y CB 2.150 40.610 38.460 0.000 0.000 1.294 408 Y HN 0.601 nan 8.280 nan 0.000 0.472 409 T N 0.415 114.910 114.554 -0.098 0.000 2.700 409 T HA 0.316 4.666 4.350 0.000 0.000 0.307 409 T C -1.057 173.557 174.700 -0.144 0.000 1.580 409 T CA -0.723 61.279 62.100 -0.163 0.000 0.992 409 T CB 1.539 70.376 68.868 -0.053 0.000 1.577 409 T HN 0.826 nan 8.240 nan 0.000 0.496 410 L N 2.103 123.257 121.223 -0.115 0.000 2.766 410 L HA 0.357 4.697 4.340 0.000 0.000 0.242 410 L C 1.217 178.077 176.870 -0.016 0.000 1.136 410 L CA 0.304 55.106 54.840 -0.062 0.000 0.933 410 L CB -0.102 41.924 42.059 -0.056 0.000 1.241 410 L HN 0.868 nan 8.230 nan 0.000 0.522 411 N N -0.087 118.609 118.700 -0.007 0.000 3.181 411 N HA -0.212 4.528 4.740 0.000 0.000 0.233 411 N C 0.490 176.042 175.510 0.070 0.000 0.511 411 N CA 2.012 55.094 53.050 0.054 0.000 2.050 411 N CB -1.127 37.403 38.487 0.071 0.000 1.686 411 N HN 0.269 nan 8.380 nan 0.000 0.335 412 T N -1.187 113.405 114.554 0.064 0.000 2.726 412 T HA 0.475 4.825 4.350 0.000 0.000 0.294 412 T C 0.231 174.926 174.700 -0.007 0.000 1.013 412 T CA 0.570 62.697 62.100 0.046 0.000 0.996 412 T CB 0.200 69.081 68.868 0.022 0.000 1.016 412 T HN 0.504 nan 8.240 nan 0.000 0.529 413 T N 2.102 116.633 114.554 -0.038 0.000 2.793 413 T HA 0.194 4.544 4.350 0.000 0.000 0.289 413 T C 0.206 174.862 174.700 -0.073 0.000 0.956 413 T CA 0.309 62.300 62.100 -0.181 0.000 1.177 413 T CB -1.226 67.531 68.868 -0.186 0.000 0.897 413 T HN 0.672 nan 8.240 nan 0.000 0.533 414 F N 0.660 120.603 119.950 -0.013 0.000 2.794 414 F HA -0.263 4.264 4.527 0.000 0.000 0.335 414 F C 1.660 177.451 175.800 -0.016 0.000 0.653 414 F CA 0.707 58.697 58.000 -0.017 0.000 1.266 414 F CB -2.155 36.839 39.000 -0.011 0.000 1.666 414 F HN 1.123 nan 8.300 nan 0.000 0.314 415 G N 0.841 109.702 108.800 0.100 0.000 2.611 415 G HA2 -0.458 3.503 3.960 0.000 0.000 0.301 415 G HA3 -0.458 3.503 3.960 0.000 0.000 0.301 415 G C 0.898 175.846 174.900 0.079 0.000 1.233 415 G CA 1.585 46.725 45.100 0.067 0.000 0.993 415 G HN 1.069 nan 8.290 nan 0.000 0.553 416 T N -1.100 113.489 114.554 0.060 0.000 3.035 416 T HA 0.352 4.703 4.350 0.000 0.000 0.268 416 T C 2.699 177.428 174.700 0.049 0.000 1.109 416 T CA 1.938 64.065 62.100 0.046 0.000 1.119 416 T CB -0.201 68.687 68.868 0.033 0.000 0.900 416 T HN 2.802 nan 8.240 nan 0.000 0.503 417 G N 1.292 110.133 108.800 0.069 0.000 2.179 417 G HA2 -0.214 3.746 3.960 0.000 0.000 0.260 417 G HA3 -0.214 3.746 3.960 0.000 0.000 0.260 417 G C 0.036 174.938 174.900 0.004 0.000 0.977 417 G CA 0.081 45.204 45.100 0.037 0.000 0.641 417 G HN 0.669 nan 8.290 nan 0.000 0.533 418 I N 1.282 121.862 120.570 0.017 0.000 2.371 418 I HA 0.404 4.574 4.170 0.000 0.000 0.290 418 I C 0.618 176.741 176.117 0.010 0.000 1.028 418 I CA -0.834 60.471 61.300 0.008 0.000 1.345 418 I CB 1.570 39.577 38.000 0.012 0.000 1.407 418 I HN -0.123 nan 8.210 nan 0.000 0.501 419 V N 6.097 126.011 119.914 0.001 0.000 2.439 419 V HA 0.338 4.458 4.120 0.000 0.000 0.282 419 V C 0.666 176.764 176.094 0.006 0.000 1.039 419 V CA -0.684 61.618 62.300 0.004 0.000 0.913 419 V CB 1.599 33.419 31.823 -0.004 0.000 0.983 419 V HN 0.858 nan 8.190 nan 0.000 0.460 420 A N 5.015 127.841 122.820 0.010 0.000 2.655 420 A HA 0.569 4.889 4.320 0.000 0.000 0.297 420 A C 1.283 178.871 177.584 0.007 0.000 1.461 420 A CA 0.572 52.615 52.037 0.010 0.000 1.146 420 A CB -1.108 17.901 19.000 0.013 0.000 1.108 420 A HN 1.779 nan 8.150 nan 0.000 0.550 421 G N 1.995 110.798 108.800 0.005 0.000 2.634 421 G HA2 -0.297 3.663 3.960 0.000 0.000 0.309 421 G HA3 -0.297 3.663 3.960 0.000 0.000 0.309 421 G C 0.515 175.416 174.900 0.002 0.000 1.265 421 G CA 0.539 45.641 45.100 0.003 0.000 0.998 421 G HN 0.675 nan 8.290 nan 0.000 0.551 422 E N 1.378 121.580 120.200 0.003 0.000 2.368 422 E HA 0.192 4.542 4.350 0.000 0.000 0.188 422 E C 2.331 178.934 176.600 0.004 0.000 1.061 422 E CA 0.892 57.293 56.400 0.002 0.000 0.933 422 E CB 0.176 29.877 29.700 0.001 0.000 1.091 422 E HN 0.587 nan 8.360 nan 0.000 0.458 423 S N -0.834 114.869 115.700 0.006 0.000 2.470 423 S HA 0.083 4.554 4.470 0.000 0.000 0.225 423 S C 1.733 176.339 174.600 0.010 0.000 1.006 423 S CA 0.632 58.837 58.200 0.009 0.000 0.934 423 S CB 0.041 63.247 63.200 0.011 0.000 0.778 423 S HN 0.269 nan 8.310 nan 0.000 0.517 424 G N 1.056 109.861 108.800 0.008 0.000 2.148 424 G HA2 -0.236 3.724 3.960 0.000 0.000 0.254 424 G HA3 -0.236 3.724 3.960 0.000 0.000 0.254 424 G C -0.037 174.872 174.900 0.014 0.000 0.981 424 G CA 0.365 45.470 45.100 0.008 0.000 0.670 424 G HN 0.616 nan 8.290 nan 0.000 0.528 425 I N 1.199 121.779 120.570 0.016 0.000 2.321 425 I HA 0.388 4.558 4.170 0.000 0.000 0.291 425 I C 0.955 177.085 176.117 0.023 0.000 0.998 425 I CA -0.882 60.430 61.300 0.021 0.000 1.227 425 I CB 1.202 39.214 38.000 0.021 0.000 1.368 425 I HN -0.044 nan 8.210 nan 0.000 0.466 426 L N 6.906 128.148 121.223 0.031 0.000 2.426 426 L HA 0.270 4.611 4.340 0.000 0.000 0.271 426 L C -0.245 176.644 176.870 0.031 0.000 1.169 426 L CA -0.181 54.683 54.840 0.040 0.000 0.836 426 L CB 0.537 42.642 42.059 0.077 0.000 1.112 426 L HN 0.431 nan 8.230 nan 0.000 0.465 427 L N 2.975 124.217 121.223 0.032 0.000 2.295 427 L HA 0.295 4.635 4.340 0.000 0.000 0.285 427 L C 0.136 177.024 176.870 0.029 0.000 1.035 427 L CA -0.811 54.045 54.840 0.027 0.000 0.806 427 L CB 1.498 43.572 42.059 0.025 0.000 1.214 427 L HN 0.676 nan 8.230 nan 0.000 0.426 428 N N 1.221 119.933 118.700 0.021 0.000 2.340 428 N HA 0.001 4.742 4.740 0.000 0.000 0.236 428 N C -0.198 175.330 175.510 0.029 0.000 1.296 428 N CA -0.397 52.663 53.050 0.018 0.000 0.896 428 N CB 0.287 38.780 38.487 0.009 0.000 1.127 428 N HN 0.624 nan 8.380 nan 0.000 0.442 429 N N -0.921 117.797 118.700 0.030 0.000 2.599 429 N HA 0.149 4.889 4.740 0.000 0.000 0.309 429 N C -0.768 174.765 175.510 0.038 0.000 1.743 429 N CA -0.561 52.511 53.050 0.036 0.000 0.918 429 N CB 0.351 38.857 38.487 0.031 0.000 1.339 429 N HN 0.584 nan 8.380 nan 0.000 0.493 433 D N -0.173 120.250 120.400 0.037 0.000 2.347 433 D HA 0.095 4.735 4.640 0.000 0.000 0.215 433 D C 0.340 176.622 176.300 -0.030 0.000 0.976 433 D CA 0.506 54.505 54.000 -0.003 0.000 0.884 433 D CB 0.051 40.798 40.800 -0.088 0.000 0.915 433 D HN 0.287 nan 8.370 nan 0.000 0.526 434 F N 0.322 120.305 119.950 0.054 0.000 2.403 434 F HA 0.089 4.617 4.527 0.000 0.000 0.320 434 F C 1.316 177.144 175.800 0.046 0.000 1.176 434 F CA -0.529 57.498 58.000 0.045 0.000 1.206 434 F CB 0.782 39.803 39.000 0.034 0.000 1.235 434 F HN -0.359 nan 8.300 nan 0.000 0.565 435 S N 1.114 116.992 115.700 0.296 0.000 2.439 435 S HA 0.443 4.913 4.470 0.000 0.000 0.282 435 S C 0.593 175.271 174.600 0.130 0.000 1.170 435 S CA -0.358 57.943 58.200 0.168 0.000 1.054 435 S CB 0.940 64.222 63.200 0.136 0.000 0.956 435 S HN 0.730 nan 8.310 nan 0.000 0.490 436 A N 4.942 127.821 122.820 0.098 0.000 2.016 436 A HA 0.272 4.592 4.320 0.000 0.000 0.217 436 A C 0.898 178.502 177.584 0.034 0.000 1.162 436 A CA 0.749 52.821 52.037 0.058 0.000 0.662 436 A CB -0.025 19.005 19.000 0.050 0.000 0.812 436 A HN 0.748 nan 8.150 nan 0.000 0.450 437 K N -0.558 119.866 120.400 0.041 0.000 2.569 437 K HA 0.374 4.695 4.320 0.000 0.000 0.259 437 K C -3.336 173.289 176.600 0.042 0.000 0.932 437 K CA -1.941 54.365 56.287 0.031 0.000 0.833 437 K CB 1.735 34.248 32.500 0.022 0.000 1.340 437 K HN -0.182 nan 8.250 nan 0.000 0.429 438 P HA 0.028 nan 4.420 nan 0.000 0.261 438 P C 0.376 177.705 177.300 0.048 0.000 1.183 438 P CA 1.369 64.499 63.100 0.050 0.000 0.761 438 P CB 0.615 32.341 31.700 0.043 0.000 0.785 439 G N 1.449 110.286 108.800 0.061 0.000 2.205 439 G HA2 -0.214 3.746 3.960 0.000 0.000 0.261 439 G HA3 -0.214 3.746 3.960 0.000 0.000 0.261 439 G C 0.041 174.960 174.900 0.031 0.000 0.980 439 G CA -0.055 45.074 45.100 0.049 0.000 0.632 439 G HN 0.532 nan 8.290 nan 0.000 0.533 440 V N 3.299 123.234 119.914 0.036 0.000 2.394 440 V HA 0.553 4.674 4.120 0.000 0.000 0.282 440 V C -1.181 174.935 176.094 0.036 0.000 1.031 440 V CA -1.426 60.889 62.300 0.025 0.000 0.881 440 V CB 1.685 33.522 31.823 0.022 0.000 0.982 440 V HN 0.258 nan 8.190 nan 0.000 0.451 441 P HA 0.224 nan 4.420 nan 0.000 0.274 441 P C -0.798 176.520 177.300 0.030 0.000 1.231 441 P CA -0.287 62.835 63.100 0.036 0.000 0.790 441 P CB 1.068 32.781 31.700 0.021 0.000 0.951 442 N N 0.704 119.429 118.700 0.042 0.000 2.593 442 N HA 0.003 4.744 4.740 0.000 0.000 0.304 442 N C 1.088 176.562 175.510 -0.060 0.000 1.296 442 N CA -0.683 52.373 53.050 0.009 0.000 0.950 442 N CB -0.780 37.734 38.487 0.045 0.000 1.127 442 N HN 0.093 nan 8.380 nan 0.000 0.587 443 V N -0.664 119.141 119.914 -0.182 0.000 2.688 443 V HA -0.174 3.946 4.120 0.000 0.000 0.256 443 V C 0.529 176.382 176.094 -0.402 0.000 1.084 443 V CA 1.574 63.671 62.300 -0.338 0.000 1.103 443 V CB -1.064 30.453 31.823 -0.509 0.000 0.688 443 V HN 0.562 nan 8.190 nan 0.000 0.480 444 Y N -0.031 120.280 120.300 0.018 0.000 2.485 444 Y HA 0.494 5.044 4.550 0.000 0.000 0.260 444 Y C 1.784 177.706 175.900 0.037 0.000 1.173 444 Y CA 0.013 58.124 58.100 0.019 0.000 1.252 444 Y CB 0.064 38.533 38.460 0.016 0.000 1.123 444 Y HN 0.261 nan 8.280 nan 0.000 0.524 445 G N 0.467 109.335 108.800 0.114 0.000 2.162 445 G HA2 -0.290 3.670 3.960 0.000 0.000 0.260 445 G HA3 -0.290 3.670 3.960 0.000 0.000 0.260 445 G C 0.014 174.986 174.900 0.119 0.000 0.976 445 G CA 0.034 45.189 45.100 0.091 0.000 0.655 445 G HN 0.274 nan 8.290 nan 0.000 0.533 446 L N 0.394 121.712 121.223 0.157 0.000 2.375 446 L HA 0.687 5.027 4.340 0.000 0.000 0.271 446 L C 1.039 177.994 176.870 0.142 0.000 1.107 446 L CA -0.840 54.101 54.840 0.168 0.000 0.806 446 L CB 1.453 43.618 42.059 0.178 0.000 1.146 446 L HN 0.263 nan 8.230 nan 0.000 0.447 447 V N -0.803 119.211 119.914 0.167 0.000 3.113 447 V HA 1.080 5.200 4.120 0.000 0.000 0.316 447 V C -0.095 176.093 176.094 0.158 0.000 1.125 447 V CA -0.253 62.136 62.300 0.149 0.000 1.026 447 V CB 1.575 33.485 31.823 0.144 0.000 1.080 447 V HN 0.847 nan 8.190 nan 0.000 0.444 448 G N -0.993 107.887 108.800 0.133 0.000 2.706 448 G HA2 0.842 4.802 3.960 0.000 0.000 0.307 448 G HA3 0.842 4.802 3.960 0.000 0.000 0.307 448 G C -0.417 174.545 174.900 0.102 0.000 1.307 448 G CA 0.021 45.193 45.100 0.121 0.000 0.790 448 G HN 1.466 nan 8.290 nan 0.000 0.503 449 G N -1.363 107.491 108.800 0.089 0.000 3.321 449 G HA2 0.434 4.395 3.960 0.000 0.000 0.169 449 G HA3 0.434 4.395 3.960 0.000 0.000 0.169 449 G C -0.038 174.899 174.900 0.062 0.000 1.153 449 G CA 0.695 45.837 45.100 0.070 0.000 1.007 449 G HN 0.367 nan 8.290 nan 0.000 0.668 450 D N 0.823 121.253 120.400 0.049 0.000 2.123 450 D HA 0.013 4.653 4.640 0.000 0.000 0.200 450 D C 2.689 179.020 176.300 0.052 0.000 0.976 450 D CA 1.373 55.397 54.000 0.040 0.000 0.831 450 D CB -0.449 40.368 40.800 0.029 0.000 0.974 450 D HN 0.321 nan 8.370 nan 0.000 0.469 451 A N 1.005 123.859 122.820 0.056 0.000 1.892 451 A HA -0.213 4.107 4.320 0.000 0.000 0.218 451 A C 1.815 179.459 177.584 0.099 0.000 1.188 451 A CA 1.526 53.601 52.037 0.064 0.000 0.631 451 A CB -0.687 18.344 19.000 0.051 0.000 0.822 451 A HN 0.278 nan 8.150 nan 0.000 0.447 452 N N -0.478 118.296 118.700 0.123 0.000 2.321 452 N HA 0.379 5.120 4.740 0.000 0.000 0.242 452 N C 0.085 175.761 175.510 0.277 0.000 1.141 452 N CA 0.128 53.301 53.050 0.204 0.000 0.864 452 N CB -0.023 38.560 38.487 0.161 0.000 1.100 452 N HN 0.459 nan 8.380 nan 0.000 0.510 453 A N 0.426 123.334 122.820 0.147 0.000 2.351 453 A HA 0.316 4.636 4.320 0.000 0.000 0.257 453 A C 0.500 177.990 177.584 -0.157 0.000 1.087 453 A CA -0.287 51.775 52.037 0.043 0.000 0.798 453 A CB 0.684 19.682 19.000 -0.004 0.000 1.033 453 A HN 0.092 nan 8.150 nan 0.000 0.488 454 V N 1.005 120.670 119.914 -0.414 0.000 2.763 454 V HA 0.476 4.596 4.120 0.000 0.000 0.306 454 V C 1.021 176.776 176.094 -0.565 0.000 1.059 454 V CA 1.093 62.788 62.300 -1.009 0.000 1.138 454 V CB 0.625 32.069 31.823 -0.632 0.000 0.940 454 V HN 1.277 nan 8.190 nan 0.000 0.489 455 G N 4.753 113.207 108.800 -0.577 0.000 2.720 455 G HA2 0.638 4.598 3.960 0.000 0.000 0.295 455 G HA3 0.638 4.598 3.960 0.000 0.000 0.295 455 G C -3.182 171.627 174.900 -0.153 0.000 1.437 455 G CA -0.992 43.965 45.100 -0.239 0.000 0.886 455 G HN 0.554 nan 8.290 nan 0.000 0.509 456 P HA 0.136 nan 4.420 nan 0.000 0.268 456 P C 0.014 177.322 177.300 0.013 0.000 1.204 456 P CA 0.067 63.151 63.100 -0.027 0.000 0.768 456 P CB 0.834 32.523 31.700 -0.020 0.000 0.842 457 N N -1.316 117.409 118.700 0.042 0.000 2.900 457 N HA -0.185 4.556 4.740 0.000 0.000 0.240 457 N C 0.270 175.840 175.510 0.099 0.000 0.953 457 N CA 1.256 54.345 53.050 0.063 0.000 0.950 457 N CB -1.285 37.227 38.487 0.042 0.000 1.102 457 N HN 0.603 nan 8.380 nan 0.000 0.593 458 K N 1.189 121.676 120.400 0.145 0.000 2.185 458 K HA 0.276 4.596 4.320 0.000 0.000 0.271 458 K C -0.023 176.775 176.600 0.331 0.000 1.013 458 K CA -0.290 56.135 56.287 0.229 0.000 0.943 458 K CB 0.673 33.322 32.500 0.249 0.000 0.998 458 K HN 0.045 nan 8.250 nan 0.000 0.468 459 R N 4.226 124.839 120.500 0.188 0.000 2.221 459 R HA 0.240 4.580 4.340 0.000 0.000 0.327 459 R C -2.116 174.097 176.300 -0.144 0.000 1.033 459 R CA -1.816 54.309 56.100 0.041 0.000 0.887 459 R CB 0.827 31.134 30.300 0.012 0.000 1.057 459 R HN 0.524 nan 8.270 nan 0.000 0.455 460 P HA -0.054 nan 4.420 nan 0.000 0.268 460 P C -0.430 176.619 177.300 -0.419 0.000 1.205 460 P CA -0.482 61.950 63.100 -1.113 0.000 0.771 460 P CB 0.712 31.532 31.700 -1.467 0.000 0.858 461 L N 2.259 123.321 121.223 -0.268 0.000 2.490 461 L HA 0.162 4.503 4.340 0.000 0.000 0.274 461 L C 0.527 177.335 176.870 -0.103 0.000 1.201 461 L CA 0.988 55.762 54.840 -0.111 0.000 0.869 461 L CB 0.093 42.132 42.059 -0.034 0.000 1.123 461 L HN 0.460 nan 8.230 nan 0.000 0.484 462 S N 2.593 118.248 115.700 -0.074 0.000 2.689 462 S HA 0.814 5.284 4.470 0.000 0.000 0.306 462 S C -0.316 174.250 174.600 -0.057 0.000 1.104 462 S CA -0.562 57.598 58.200 -0.067 0.000 0.973 462 S CB 1.396 64.559 63.200 -0.062 0.000 1.121 462 S HN 0.805 nan 8.310 nan 0.000 0.523 466 P HA 0.272 nan 4.420 nan 0.000 0.267 466 P C -0.544 176.744 177.300 -0.020 0.000 1.209 466 P CA 0.377 63.489 63.100 0.020 0.000 0.763 466 P CB 0.647 32.385 31.700 0.065 0.000 0.816 467 T N 4.062 118.592 114.554 -0.041 0.000 2.893 467 T HA 0.609 4.959 4.350 0.000 0.000 0.293 467 T C -0.073 174.620 174.700 -0.011 0.000 1.027 467 T CA -0.384 61.697 62.100 -0.032 0.000 0.988 467 T CB 1.103 69.938 68.868 -0.055 0.000 1.043 467 T HN 0.245 nan 8.240 nan 0.000 0.461 468 I N 2.342 122.916 120.570 0.007 0.000 2.478 468 I HA 0.443 4.613 4.170 0.000 0.000 0.287 468 I C -0.758 175.392 176.117 0.054 0.000 1.042 468 I CA -1.034 60.282 61.300 0.027 0.000 1.067 468 I CB 2.019 40.036 38.000 0.028 0.000 1.233 468 I HN 0.272 nan 8.210 nan 0.000 0.431 469 V N 6.949 126.920 119.914 0.095 0.000 2.472 469 V HA 0.429 4.550 4.120 0.000 0.000 0.290 469 V C -0.005 176.224 176.094 0.225 0.000 1.037 469 V CA -0.686 61.717 62.300 0.171 0.000 0.908 469 V CB 2.018 34.013 31.823 0.287 0.000 0.985 469 V HN 0.378 nan 8.190 nan 0.000 0.454 470 V N 4.729 124.736 119.914 0.155 0.000 2.459 470 V HA 0.504 4.624 4.120 0.000 0.000 0.295 470 V C -0.074 176.051 176.094 0.050 0.000 1.029 470 V CA -0.745 61.629 62.300 0.123 0.000 0.874 470 V CB 1.679 33.539 31.823 0.062 0.000 0.985 470 V HN 0.875 nan 8.190 nan 0.000 0.438 471 K N 3.117 123.527 120.400 0.016 0.000 2.345 471 K HA 0.357 4.677 4.320 0.000 0.000 0.255 471 K C -0.542 175.990 176.600 -0.113 0.000 0.934 471 K CA -0.493 55.681 56.287 -0.188 0.000 0.801 471 K CB 1.099 33.250 32.500 -0.583 0.000 1.137 471 K HN 0.744 nan 8.250 nan 0.000 0.424 472 D N 3.365 123.694 120.400 -0.117 0.000 2.708 472 D HA -0.203 4.437 4.640 0.000 0.000 0.236 472 D C 0.669 176.949 176.300 -0.033 0.000 1.146 472 D CA 1.735 55.691 54.000 -0.073 0.000 0.662 472 D CB -1.219 39.536 40.800 -0.076 0.000 1.059 472 D HN 1.096 nan 8.370 nan 0.000 0.428 473 G N -0.796 107.990 108.800 -0.022 0.000 2.184 473 G HA2 -0.369 3.591 3.960 0.000 0.000 0.264 473 G HA3 -0.369 3.591 3.960 0.000 0.000 0.264 473 G C 0.271 175.182 174.900 0.018 0.000 0.975 473 G CA 0.947 46.046 45.100 -0.002 0.000 0.642 473 G HN 0.520 nan 8.290 nan 0.000 0.536 474 K N 0.396 120.816 120.400 0.033 0.000 2.259 474 K HA 0.544 4.864 4.320 0.000 0.000 0.249 474 K C -0.033 176.632 176.600 0.110 0.000 0.942 474 K CA -0.660 55.664 56.287 0.062 0.000 0.816 474 K CB 1.512 34.052 32.500 0.067 0.000 1.155 474 K HN 0.032 nan 8.250 nan 0.000 0.428 475 T N 1.485 116.103 114.554 0.106 0.000 2.866 475 T HA -0.079 4.271 4.350 0.000 0.000 0.293 475 T C 0.030 174.863 174.700 0.221 0.000 1.005 475 T CA 0.598 62.776 62.100 0.131 0.000 1.162 475 T CB 0.146 69.063 68.868 0.081 0.000 0.968 475 T HN 0.677 nan 8.240 nan 0.000 0.530 476 W N 4.413 125.723 121.300 0.016 0.000 3.283 476 W HA 0.516 5.177 4.660 0.000 0.000 0.235 476 W C -0.822 175.714 176.519 0.028 0.000 1.123 476 W CA -0.258 57.100 57.345 0.023 0.000 1.534 476 W CB 0.404 29.870 29.460 0.010 0.000 0.839 476 W HN 0.484 nan 8.180 nan 0.000 0.734 477 L N 1.681 122.864 121.223 -0.066 0.000 2.438 477 L HA 0.642 4.982 4.340 0.000 0.000 0.270 477 L C -1.591 175.228 176.870 -0.086 0.000 0.972 477 L CA -1.003 53.678 54.840 -0.265 0.000 0.831 477 L CB 1.917 43.732 42.059 -0.407 0.000 1.273 477 L HN -0.238 nan 8.230 nan 0.000 0.405 478 V N 4.290 124.155 119.914 -0.082 0.000 2.378 478 V HA 0.825 4.946 4.120 0.000 0.000 0.288 478 V C -0.007 176.077 176.094 -0.018 0.000 1.016 478 V CA -0.175 62.114 62.300 -0.019 0.000 0.840 478 V CB 1.297 33.126 31.823 0.010 0.000 0.994 478 V HN 0.922 nan 8.190 nan 0.000 0.431 479 T N 2.558 117.090 114.554 -0.037 0.000 2.671 479 T HA 0.915 5.265 4.350 0.000 0.000 0.300 479 T C -0.432 174.005 174.700 -0.437 0.000 1.238 479 T CA 0.234 62.255 62.100 -0.131 0.000 1.020 479 T CB 2.016 70.797 68.868 -0.144 0.000 1.503 479 T HN 1.373 nan 8.240 nan 0.000 0.497 480 G N 0.334 108.675 108.800 -0.765 0.000 2.320 480 G HA2 0.517 4.477 3.960 0.000 0.000 0.297 480 G HA3 0.517 4.477 3.960 0.000 0.000 0.297 480 G C -1.139 173.322 174.900 -0.730 0.000 1.344 480 G CA 0.463 44.891 45.100 -1.120 0.000 0.851 480 G HN 1.332 nan 8.290 nan 0.000 0.567 481 S N -0.343 115.133 115.700 -0.373 0.000 2.622 481 S HA 0.799 5.269 4.470 0.000 0.000 0.275 481 S C -3.128 171.441 174.600 -0.052 0.000 1.112 481 S CA -0.135 57.995 58.200 -0.117 0.000 0.837 481 S CB 2.077 65.206 63.200 -0.119 0.000 1.082 481 S HN 0.677 nan 8.310 nan 0.000 0.456 482 P HA 0.670 nan 4.420 nan 0.000 0.297 482 P C 0.399 177.645 177.300 -0.089 0.000 1.307 482 P CA 0.439 63.516 63.100 -0.039 0.000 0.773 482 P CB 0.981 32.675 31.700 -0.010 0.000 1.265 483 G N -2.831 105.893 108.800 -0.128 0.000 2.276 483 G HA2 0.195 4.155 3.960 0.000 0.000 0.177 483 G HA3 0.195 4.155 3.960 0.000 0.000 0.177 483 G C 0.598 175.313 174.900 -0.307 0.000 1.017 483 G CA 0.454 45.455 45.100 -0.166 0.000 0.750 483 G HN 0.866 nan 8.290 nan 0.000 0.506 484 G N 0.626 109.139 108.800 -0.478 0.000 2.622 484 G HA2 -0.136 3.825 3.960 0.000 0.000 0.307 484 G HA3 -0.136 3.825 3.960 0.000 0.000 0.307 484 G C 1.856 176.428 174.900 -0.546 0.000 1.226 484 G CA 2.654 47.165 45.100 -0.981 0.000 0.997 484 G HN 1.980 nan 8.290 nan 0.000 0.551 485 S N 0.141 115.575 115.700 -0.443 0.000 2.419 485 S HA -0.089 4.381 4.470 0.000 0.000 0.235 485 S C 2.089 176.635 174.600 -0.090 0.000 1.019 485 S CA 1.984 60.112 58.200 -0.120 0.000 0.982 485 S CB -0.141 63.101 63.200 0.071 0.000 0.789 485 S HN 0.688 nan 8.310 nan 0.000 0.490 486 R N 0.853 121.191 120.500 -0.270 0.000 2.307 486 R HA 0.403 4.743 4.340 0.000 0.000 0.199 486 R C 1.858 178.053 176.300 -0.175 0.000 1.000 486 R CA 0.484 56.360 56.100 -0.373 0.000 1.023 486 R CB -0.727 29.276 30.300 -0.494 0.000 0.908 486 R HN 0.497 nan 8.270 nan 0.000 0.473 487 I N 0.223 120.700 120.570 -0.155 0.000 2.163 487 I HA -0.327 3.843 4.170 0.000 0.000 0.243 487 I C 1.861 177.927 176.117 -0.085 0.000 1.085 487 I CA 1.528 62.754 61.300 -0.122 0.000 1.347 487 I CB -0.286 37.638 38.000 -0.127 0.000 1.044 487 I HN 0.116 nan 8.210 nan 0.000 0.408 488 I N 0.699 121.238 120.570 -0.052 0.000 2.151 488 I HA -0.334 3.836 4.170 0.000 0.000 0.243 488 I C 2.760 178.862 176.117 -0.025 0.000 1.080 488 I CA 2.247 63.529 61.300 -0.030 0.000 1.339 488 I CB -0.778 37.222 38.000 -0.000 0.000 1.039 488 I HN 0.421 nan 8.210 nan 0.000 0.409 489 T N -3.114 111.450 114.554 0.016 0.000 2.904 489 T HA -0.093 4.258 4.350 0.000 0.000 0.267 489 T C 1.801 176.457 174.700 -0.075 0.000 1.059 489 T CA 1.520 63.612 62.100 -0.014 0.000 1.137 489 T CB -0.645 68.283 68.868 0.101 0.000 0.879 489 T HN 0.205 nan 8.240 nan 0.000 0.467 490 T N 1.884 116.396 114.554 -0.070 0.000 2.737 490 T HA -0.019 4.331 4.350 0.000 0.000 0.265 490 T C 2.111 176.762 174.700 -0.081 0.000 1.038 490 T CA 1.278 63.330 62.100 -0.080 0.000 1.144 490 T CB -0.543 68.274 68.868 -0.085 0.000 0.866 490 T HN 0.239 nan 8.240 nan 0.000 0.434 491 V N 1.677 121.536 119.914 -0.091 0.000 2.427 491 V HA -0.091 4.029 4.120 0.000 0.000 0.248 491 V C 2.391 178.442 176.094 -0.073 0.000 1.051 491 V CA 1.187 63.429 62.300 -0.097 0.000 1.048 491 V CB -0.676 31.080 31.823 -0.112 0.000 0.666 491 V HN 0.338 nan 8.190 nan 0.000 0.456 492 L N 0.135 121.318 121.223 -0.066 0.000 2.012 492 L HA -0.154 4.186 4.340 0.000 0.000 0.210 492 L C 1.658 178.495 176.870 -0.055 0.000 1.073 492 L CA 1.684 56.489 54.840 -0.057 0.000 0.748 492 L CB -0.563 41.459 42.059 -0.061 0.000 0.891 492 L HN 0.415 nan 8.230 nan 0.000 0.431 496 V N 1.356 121.228 119.914 -0.069 0.000 2.343 496 V HA -0.253 3.867 4.120 0.000 0.000 0.247 496 V C 2.055 177.964 176.094 -0.308 0.000 1.051 496 V CA 3.073 65.254 62.300 -0.198 0.000 1.036 496 V CB -0.882 30.822 31.823 -0.199 0.000 0.654 496 V HN 0.635 nan 8.190 nan 0.000 0.451 497 N N -0.142 118.496 118.700 -0.103 0.000 2.104 497 N HA -0.164 4.576 4.740 0.000 0.000 0.190 497 N C 1.967 177.519 175.510 0.070 0.000 1.024 497 N CA 1.560 54.652 53.050 0.069 0.000 0.853 497 N CB -0.137 38.439 38.487 0.147 0.000 1.008 497 N HN 0.394 nan 8.380 nan 0.000 0.424 498 S N 0.616 116.349 115.700 0.055 0.000 2.357 498 S HA 0.048 4.518 4.470 0.000 0.000 0.221 498 S C 1.984 176.755 174.600 0.285 0.000 1.031 498 S CA 0.627 58.914 58.200 0.145 0.000 0.982 498 S CB 0.004 63.236 63.200 0.054 0.000 0.853 498 S HN 0.235 nan 8.310 nan 0.000 0.458 499 I N 1.510 122.192 120.570 0.187 0.000 2.270 499 I HA -0.089 4.082 4.170 0.000 0.000 0.239 499 I C 1.869 177.978 176.117 -0.014 0.000 1.080 499 I CA 1.040 62.396 61.300 0.092 0.000 1.383 499 I CB -0.281 37.739 38.000 0.034 0.000 1.097 499 I HN 0.157 nan 8.210 nan 0.000 0.420 500 D N 0.189 120.506 120.400 -0.139 0.000 2.137 500 D HA -0.115 4.525 4.640 0.000 0.000 0.202 500 D C 1.836 178.143 176.300 0.013 0.000 0.970 500 D CA 1.553 55.447 54.000 -0.175 0.000 0.837 500 D CB -0.052 40.493 40.800 -0.425 0.000 0.981 500 D HN 0.452 nan 8.370 nan 0.000 0.475 501 Y N -0.032 120.309 120.300 0.069 0.000 2.457 501 Y HA 0.254 4.805 4.550 0.001 0.000 0.263 501 Y C 1.572 177.506 175.900 0.057 0.000 1.164 501 Y CA -0.267 57.869 58.100 0.060 0.000 1.274 501 Y CB 0.628 39.127 38.460 0.066 0.000 1.097 501 Y HN -0.086 nan 8.280 nan 0.000 0.523 502 G N 2.067 110.979 108.800 0.186 0.000 2.341 502 G HA2 -0.307 3.653 3.960 0.000 0.000 0.292 502 G HA3 -0.307 3.653 3.960 0.000 0.000 0.292 502 G C -0.216 174.759 174.900 0.125 0.000 1.021 502 G CA 0.050 45.236 45.100 0.144 0.000 0.905 502 G HN 0.308 nan 8.290 nan 0.000 0.508 503 L N 0.523 121.826 121.223 0.133 0.000 2.350 503 L HA 0.315 4.655 4.340 0.000 0.000 0.275 503 L C 1.368 178.257 176.870 0.032 0.000 1.099 503 L CA -0.866 54.024 54.840 0.084 0.000 0.808 503 L CB 0.743 42.864 42.059 0.103 0.000 1.149 503 L HN 0.550 nan 8.230 nan 0.000 0.442 504 N N 1.323 120.019 118.700 -0.007 0.000 2.354 504 N HA -0.015 4.725 4.740 0.000 0.000 0.246 504 N C 0.870 176.341 175.510 -0.065 0.000 1.285 504 N CA -0.694 52.316 53.050 -0.065 0.000 0.925 504 N CB 1.455 39.890 38.487 -0.087 0.000 1.174 504 N HN 0.405 nan 8.380 nan 0.000 0.478 505 V N 1.053 120.906 119.914 -0.102 0.000 2.453 505 V HA -0.265 3.855 4.120 0.000 0.000 0.252 505 V C 2.404 178.475 176.094 -0.038 0.000 1.068 505 V CA 2.511 64.759 62.300 -0.087 0.000 1.070 505 V CB -1.157 30.611 31.823 -0.092 0.000 0.664 505 V HN 0.863 nan 8.190 nan 0.000 0.461 506 A N -0.893 121.916 122.820 -0.019 0.000 1.897 506 A HA -0.181 4.139 4.320 0.000 0.000 0.215 506 A C 2.047 179.629 177.584 -0.004 0.000 1.181 506 A CA 1.611 53.646 52.037 -0.004 0.000 0.620 506 A CB -0.530 18.474 19.000 0.007 0.000 0.821 506 A HN 0.659 nan 8.150 nan 0.000 0.443 507 E N -0.123 120.075 120.200 -0.003 0.000 2.051 507 E HA -0.141 4.209 4.350 0.000 0.000 0.192 507 E C 2.289 178.899 176.600 0.016 0.000 0.991 507 E CA 1.050 57.453 56.400 0.006 0.000 0.799 507 E CB -0.295 29.413 29.700 0.012 0.000 0.748 507 E HN 0.604 nan 8.360 nan 0.000 0.449 508 A N 0.651 123.481 122.820 0.016 0.000 1.933 508 A HA -0.180 4.140 4.320 0.000 0.000 0.218 508 A C 2.327 179.921 177.584 0.016 0.000 1.175 508 A CA 1.859 53.914 52.037 0.030 0.000 0.628 508 A CB -0.719 18.285 19.000 0.007 0.000 0.814 508 A HN 0.182 nan 8.150 nan 0.000 0.444 509 T N 0.311 114.864 114.554 -0.002 0.000 2.812 509 T HA -0.080 4.270 4.350 0.000 0.000 0.264 509 T C 1.530 176.229 174.700 -0.002 0.000 1.042 509 T CA 1.677 63.774 62.100 -0.005 0.000 1.140 509 T CB -0.376 68.488 68.868 -0.008 0.000 0.870 509 T HN 0.627 nan 8.240 nan 0.000 0.445 510 N N 1.157 119.855 118.700 -0.003 0.000 2.467 510 N HA 0.290 5.031 4.740 0.000 0.000 0.184 510 N C 0.393 175.889 175.510 -0.022 0.000 1.106 510 N CA 0.008 53.051 53.050 -0.011 0.000 0.892 510 N CB 0.015 38.495 38.487 -0.012 0.000 0.969 510 N HN 0.368 nan 8.380 nan 0.000 0.454 511 A N 1.825 124.640 122.820 -0.009 0.000 2.445 511 A HA 0.278 4.599 4.320 0.000 0.000 0.242 511 A C -1.941 175.618 177.584 -0.042 0.000 1.075 511 A CA -1.025 50.998 52.037 -0.023 0.000 0.777 511 A CB -0.074 18.947 19.000 0.035 0.000 1.013 511 A HN 0.054 nan 8.150 nan 0.000 0.493 512 P HA 0.284 nan 4.420 nan 0.000 0.272 512 P C -0.763 176.588 177.300 0.086 0.000 1.230 512 P CA 0.023 62.993 63.100 -0.217 0.000 0.788 512 P CB 0.665 31.908 31.700 -0.762 0.000 0.949 513 R N 0.902 121.558 120.500 0.260 0.000 2.803 513 R HA 0.687 5.028 4.340 0.000 0.000 0.276 513 R C -0.347 176.302 176.300 0.582 0.000 0.978 513 R CA -0.640 55.693 56.100 0.388 0.000 0.939 513 R CB 1.364 31.748 30.300 0.140 0.000 1.179 513 R HN 0.498 nan 8.270 nan 0.000 0.472 514 F N -1.034 119.093 119.950 0.294 0.000 2.620 514 F HA 0.709 5.236 4.527 0.000 0.000 0.320 514 F C -0.757 175.160 175.800 0.194 0.000 1.069 514 F CA -1.184 56.906 58.000 0.150 0.000 0.953 514 F CB 1.612 40.545 39.000 -0.112 0.000 1.322 514 F HN 0.577 nan 8.300 nan 0.000 0.479 515 H N 0.056 119.195 119.070 0.115 0.000 3.085 515 H HA 0.424 4.981 4.556 0.000 0.000 0.356 515 H C -2.298 173.104 175.328 0.124 0.000 1.178 515 H CA -0.529 55.532 56.048 0.021 0.000 1.214 515 H CB 1.342 31.098 29.762 -0.009 0.000 1.881 515 H HN 0.914 nan 8.280 nan 0.000 0.538 516 H N 3.864 122.598 119.070 -0.560 0.000 2.782 516 H HA 0.185 4.742 4.556 0.000 0.000 0.347 516 H C -0.904 174.125 175.328 -0.498 0.000 1.038 516 H CA -0.424 55.402 56.048 -0.371 0.000 1.255 516 H CB 1.902 31.620 29.762 -0.073 0.000 1.623 516 H HN 0.894 nan 8.280 nan 0.000 0.525 517 Q N 3.853 123.558 119.800 -0.158 0.000 2.165 517 Q HA 0.145 4.485 4.340 0.000 0.000 0.245 517 Q C 0.486 176.715 176.000 0.381 0.000 0.841 517 Q CA -0.584 55.268 55.803 0.082 0.000 1.078 517 Q CB 0.652 29.479 28.738 0.147 0.000 1.169 517 Q HN 0.739 nan 8.270 nan 0.000 0.475 518 W N 0.613 122.093 121.300 0.300 0.000 0.649 518 W HA -0.342 4.319 4.660 0.000 0.000 0.221 518 W C -1.437 175.181 176.519 0.165 0.000 1.002 518 W CA 1.610 59.080 57.345 0.208 0.000 0.879 518 W CB -1.146 28.363 29.460 0.082 0.000 1.806 518 W HN 0.323 nan 8.180 nan 0.000 0.496 519 L N 1.706 122.927 121.223 -0.003 0.000 2.376 519 L HA 0.520 4.861 4.340 0.000 0.000 0.275 519 L C -1.875 174.965 176.870 -0.050 0.000 0.987 519 L CA -1.749 52.946 54.840 -0.241 0.000 0.828 519 L CB 1.095 42.837 42.059 -0.528 0.000 1.249 519 L HN -0.250 nan 8.230 nan 0.000 0.409 520 P HA 0.058 nan 4.420 nan 0.000 0.270 520 P C -0.700 176.528 177.300 -0.119 0.000 1.223 520 P CA -0.352 62.687 63.100 -0.102 0.000 0.785 520 P CB 0.536 32.196 31.700 -0.066 0.000 0.923 521 D N 2.019 122.363 120.400 -0.094 0.000 2.483 521 D HA 0.085 4.725 4.640 0.000 0.000 0.220 521 D C -0.526 175.734 176.300 -0.068 0.000 1.173 521 D CA -0.072 53.927 54.000 -0.002 0.000 0.964 521 D CB -0.513 40.307 40.800 0.033 0.000 1.046 521 D HN 0.402 nan 8.370 nan 0.000 0.517 522 E N 1.422 121.423 120.200 -0.331 0.000 2.352 522 E HA 0.289 4.640 4.350 0.000 0.000 0.280 522 E C -1.263 175.077 176.600 -0.433 0.000 0.930 522 E CA -0.986 55.272 56.400 -0.238 0.000 0.765 522 E CB 1.083 30.708 29.700 -0.125 0.000 1.219 522 E HN 0.144 nan 8.360 nan 0.000 0.434 523 L N 3.130 124.289 121.223 -0.107 0.000 2.270 523 L HA 0.404 4.744 4.340 0.000 0.000 0.286 523 L C -0.087 176.804 176.870 0.036 0.000 1.059 523 L CA -0.644 54.212 54.840 0.026 0.000 0.839 523 L CB 0.349 42.487 42.059 0.132 0.000 1.221 523 L HN 0.612 nan 8.230 nan 0.000 0.431 524 R N 4.485 125.024 120.500 0.066 0.000 2.438 524 R HA 0.530 4.870 4.340 0.000 0.000 0.287 524 R C -1.053 175.357 176.300 0.184 0.000 1.077 524 R CA -0.354 55.818 56.100 0.120 0.000 1.034 524 R CB 1.105 31.503 30.300 0.164 0.000 0.993 524 R HN 0.511 nan 8.270 nan 0.000 0.459 525 V N 0.027 120.043 119.914 0.170 0.000 3.007 525 V HA 0.552 4.672 4.120 0.000 0.000 0.311 525 V C -0.638 175.618 176.094 0.271 0.000 1.120 525 V CA -1.023 61.434 62.300 0.261 0.000 0.980 525 V CB 2.030 33.966 31.823 0.189 0.000 1.033 525 V HN 0.870 nan 8.190 nan 0.000 0.429 526 E N 1.020 121.438 120.200 0.362 0.000 2.330 526 E HA 0.452 4.802 4.350 0.000 0.000 0.256 526 E C -0.667 176.049 176.600 0.192 0.000 1.146 526 E CA -1.009 55.516 56.400 0.208 0.000 0.945 526 E CB 1.183 30.968 29.700 0.142 0.000 1.182 526 E HN 0.668 nan 8.360 nan 0.000 0.480 527 K N -0.346 120.105 120.400 0.085 0.000 2.276 527 K HA 0.277 4.597 4.320 0.000 0.000 0.259 527 K C 0.630 177.198 176.600 -0.053 0.000 1.001 527 K CA 0.657 56.972 56.287 0.046 0.000 0.927 527 K CB 0.530 33.040 32.500 0.017 0.000 0.969 527 K HN 0.791 nan 8.250 nan 0.000 0.490 528 G N 0.949 109.699 108.800 -0.084 0.000 2.336 528 G HA2 -0.191 3.769 3.960 0.000 0.000 0.194 528 G HA3 -0.191 3.769 3.960 0.000 0.000 0.194 528 G C -0.318 174.381 174.900 -0.336 0.000 0.999 528 G CA -0.708 44.247 45.100 -0.243 0.000 0.669 528 G HN 0.420 nan 8.290 nan 0.000 0.482 529 F N 2.093 122.054 119.950 0.019 0.000 2.379 529 F HA 0.690 5.217 4.527 0.000 0.000 0.332 529 F C 1.183 176.979 175.800 -0.007 0.000 1.096 529 F CA -0.081 57.920 58.000 0.002 0.000 1.105 529 F CB 1.767 40.765 39.000 -0.003 0.000 1.189 529 F HN 0.060 nan 8.300 nan 0.000 0.515 530 S N 2.871 118.672 115.700 0.169 0.000 2.560 530 S HA 0.108 4.578 4.470 0.000 0.000 0.284 530 S C -1.644 173.001 174.600 0.074 0.000 1.327 530 S CA -1.076 57.174 58.200 0.084 0.000 1.055 530 S CB 0.890 64.122 63.200 0.053 0.000 0.868 530 S HN 0.359 nan 8.310 nan 0.000 0.506 531 P HA -0.050 nan 4.420 nan 0.000 0.218 531 P C 0.732 178.044 177.300 0.021 0.000 1.149 531 P CA 0.889 64.010 63.100 0.035 0.000 0.817 531 P CB 0.087 31.801 31.700 0.025 0.000 0.785 532 D N -1.334 119.076 120.400 0.017 0.000 2.117 532 D HA -0.107 4.533 4.640 0.000 0.000 0.197 532 D C 1.822 178.121 176.300 -0.001 0.000 0.987 532 D CA 1.427 55.430 54.000 0.006 0.000 0.829 532 D CB -0.920 39.883 40.800 0.004 0.000 0.961 532 D HN 0.147 nan 8.370 nan 0.000 0.460 533 T N 1.259 115.817 114.554 0.006 0.000 2.777 533 T HA -0.014 4.336 4.350 0.000 0.000 0.266 533 T C 2.223 176.899 174.700 -0.040 0.000 1.040 533 T CA 0.409 62.500 62.100 -0.016 0.000 1.141 533 T CB -0.187 68.683 68.868 0.003 0.000 0.868 533 T HN 0.105 nan 8.240 nan 0.000 0.444 534 L N 0.515 121.727 121.223 -0.019 0.000 2.131 534 L HA -0.093 4.247 4.340 0.000 0.000 0.210 534 L C 2.623 179.476 176.870 -0.029 0.000 1.092 534 L CA 1.298 56.117 54.840 -0.035 0.000 0.759 534 L CB -0.488 41.573 42.059 0.003 0.000 0.903 534 L HN 0.242 nan 8.230 nan 0.000 0.435 535 K N 0.267 120.658 120.400 -0.015 0.000 2.026 535 K HA -0.147 4.174 4.320 0.000 0.000 0.208 535 K C 2.122 178.709 176.600 -0.021 0.000 1.048 535 K CA 1.180 57.459 56.287 -0.013 0.000 0.929 535 K CB -0.210 32.286 32.500 -0.007 0.000 0.713 535 K HN 0.241 nan 8.250 nan 0.000 0.439 536 L N 0.976 122.183 121.223 -0.028 0.000 2.046 536 L HA -0.205 4.135 4.340 0.000 0.000 0.208 536 L C 2.408 179.252 176.870 -0.043 0.000 1.077 536 L CA 1.089 55.910 54.840 -0.033 0.000 0.747 536 L CB -0.482 41.555 42.059 -0.036 0.000 0.896 536 L HN 0.191 nan 8.230 nan 0.000 0.432 537 L N -0.393 120.793 121.223 -0.062 0.000 2.042 537 L HA -0.236 4.104 4.340 0.000 0.000 0.210 537 L C 2.527 179.370 176.870 -0.045 0.000 1.076 537 L CA 1.417 56.212 54.840 -0.075 0.000 0.749 537 L CB -0.431 41.556 42.059 -0.120 0.000 0.893 537 L HN 0.311 nan 8.230 nan 0.000 0.432 538 E N -0.166 120.014 120.200 -0.034 0.000 2.106 538 E HA -0.170 4.180 4.350 0.000 0.000 0.192 538 E C 2.252 178.844 176.600 -0.013 0.000 0.984 538 E CA 0.994 57.384 56.400 -0.018 0.000 0.806 538 E CB -0.146 29.546 29.700 -0.013 0.000 0.750 538 E HN 0.491 nan 8.360 nan 0.000 0.458 539 A N 1.451 124.261 122.820 -0.016 0.000 2.015 539 A HA -0.164 4.157 4.320 0.000 0.000 0.219 539 A C 1.805 179.381 177.584 -0.013 0.000 1.163 539 A CA 1.106 53.135 52.037 -0.013 0.000 0.646 539 A CB -0.163 18.829 19.000 -0.014 0.000 0.806 539 A HN 0.031 nan 8.150 nan 0.000 0.448 540 K N -1.612 118.777 120.400 -0.019 0.000 2.432 540 K HA 0.163 4.483 4.320 0.000 0.000 0.196 540 K C 1.122 177.715 176.600 -0.011 0.000 1.038 540 K CA 0.555 56.831 56.287 -0.018 0.000 0.986 540 K CB -0.015 32.468 32.500 -0.028 0.000 0.782 540 K HN 0.646 nan 8.250 nan 0.000 0.485 541 G N 0.629 109.425 108.800 -0.007 0.000 2.184 541 G HA2 -0.180 3.781 3.960 0.000 0.000 0.206 541 G HA3 -0.180 3.781 3.960 0.000 0.000 0.206 541 G C -0.244 174.664 174.900 0.014 0.000 0.995 541 G CA -0.541 44.561 45.100 0.003 0.000 0.651 541 G HN 0.100 nan 8.290 nan 0.000 0.511 542 Q N 0.713 120.519 119.800 0.010 0.000 2.332 542 Q HA 0.304 4.644 4.340 0.000 0.000 0.263 542 Q C 0.257 176.276 176.000 0.030 0.000 0.979 542 Q CA 0.321 56.144 55.803 0.033 0.000 0.885 542 Q CB 0.748 29.494 28.738 0.013 0.000 1.218 542 Q HN 0.467 nan 8.270 nan 0.000 0.405 543 K N 1.935 122.366 120.400 0.052 0.000 2.180 543 K HA 0.237 4.557 4.320 0.000 0.000 0.250 543 K C -0.437 176.172 176.600 0.015 0.000 1.135 543 K CA -0.279 56.023 56.287 0.026 0.000 1.037 543 K CB 0.336 32.850 32.500 0.024 0.000 1.624 543 K HN 0.265 nan 8.250 nan 0.000 0.382 544 V N 2.150 122.069 119.914 0.008 0.000 2.585 544 V HA 0.146 4.266 4.120 0.000 0.000 0.296 544 V C 0.366 176.467 176.094 0.012 0.000 1.035 544 V CA -0.179 62.123 62.300 0.003 0.000 1.084 544 V CB 0.805 32.621 31.823 -0.011 0.000 0.953 544 V HN 0.714 nan 8.190 nan 0.000 0.483 545 A N 5.958 128.791 122.820 0.022 0.000 2.411 545 A HA 0.667 4.987 4.320 0.000 0.000 0.285 545 A C -0.930 176.686 177.584 0.052 0.000 1.129 545 A CA -0.607 51.448 52.037 0.029 0.000 0.736 545 A CB 1.013 20.024 19.000 0.018 0.000 1.186 545 A HN 0.813 nan 8.150 nan 0.000 0.445 546 L N 2.782 124.038 121.223 0.056 0.000 2.361 546 L HA 0.483 4.823 4.340 0.000 0.000 0.278 546 L C 0.029 176.937 176.870 0.063 0.000 1.113 546 L CA 1.022 55.907 54.840 0.074 0.000 0.849 546 L CB -0.118 41.982 42.059 0.069 0.000 1.155 546 L HN 0.716 nan 8.230 nan 0.000 0.452 547 K N 2.934 123.378 120.400 0.074 0.000 2.283 547 K HA 0.397 4.717 4.320 0.000 0.000 0.257 547 K C -0.858 175.775 176.600 0.055 0.000 1.066 547 K CA -0.956 55.365 56.287 0.057 0.000 0.891 547 K CB 1.351 33.883 32.500 0.053 0.000 1.438 547 K HN 0.708 nan 8.250 nan 0.000 0.464 548 E N 0.597 120.821 120.200 0.040 0.000 2.425 548 E HA 0.262 4.612 4.350 0.000 0.000 0.258 548 E C -0.109 176.511 176.600 0.034 0.000 1.151 548 E CA -0.588 55.832 56.400 0.033 0.000 0.958 548 E CB 0.412 30.126 29.700 0.024 0.000 0.968 548 E HN 0.542 nan 8.360 nan 0.000 0.451 552 S N 0.066 115.757 115.700 -0.015 0.000 2.592 552 S HA 0.485 4.956 4.470 0.000 0.000 0.151 552 S C 0.082 174.693 174.600 0.018 0.000 1.280 552 S CA 0.313 58.517 58.200 0.008 0.000 1.187 552 S CB -0.380 62.833 63.200 0.021 0.000 1.471 552 S HN 1.577 nan 8.310 nan 0.000 0.409 553 T N 2.080 116.632 114.554 -0.003 0.000 2.919 553 T HA 0.543 4.893 4.350 0.000 0.000 0.302 553 T C -0.500 174.223 174.700 0.040 0.000 1.031 553 T CA -0.410 61.683 62.100 -0.012 0.000 1.127 553 T CB 0.950 69.793 68.868 -0.042 0.000 0.952 553 T HN 0.420 nan 8.240 nan 0.000 0.540 554 Q N 2.286 122.144 119.800 0.096 0.000 2.414 554 Q HA 0.466 4.806 4.340 0.000 0.000 0.256 554 Q C -1.059 175.016 176.000 0.126 0.000 0.974 554 Q CA -0.459 55.422 55.803 0.130 0.000 0.723 554 Q CB 2.050 30.908 28.738 0.199 0.000 1.281 554 Q HN 0.850 nan 8.270 nan 0.000 0.470 555 S N 1.956 117.687 115.700 0.052 0.000 2.634 555 S HA 0.826 5.296 4.470 0.000 0.000 0.296 555 S C 0.051 174.653 174.600 0.003 0.000 1.104 555 S CA -0.582 57.628 58.200 0.017 0.000 0.920 555 S CB 1.842 65.017 63.200 -0.041 0.000 1.111 555 S HN 0.466 nan 8.310 nan 0.000 0.493 559 G N 3.853 112.835 108.800 0.303 0.000 2.444 559 G HA2 0.567 4.527 3.960 0.000 0.000 0.268 559 G HA3 0.567 4.527 3.960 0.000 0.000 0.268 559 G C -0.853 174.163 174.900 0.194 0.000 1.203 559 G CA -1.062 44.227 45.100 0.316 0.000 0.835 559 G HN 0.567 nan 8.290 nan 0.000 0.543 560 P HA -0.109 nan 4.420 nan 0.000 0.223 560 P C 0.628 177.971 177.300 0.072 0.000 1.144 560 P CA 1.206 64.368 63.100 0.103 0.000 0.783 560 P CB 0.263 32.008 31.700 0.076 0.000 0.771 561 D N -1.646 118.800 120.400 0.076 0.000 2.340 561 D HA 0.104 4.744 4.640 0.000 0.000 0.220 561 D C 1.516 177.829 176.300 0.022 0.000 1.039 561 D CA 0.590 54.617 54.000 0.045 0.000 0.866 561 D CB -0.691 40.137 40.800 0.047 0.000 0.913 561 D HN 0.269 nan 8.370 nan 0.000 0.523 562 G N 0.226 109.042 108.800 0.027 0.000 2.194 562 G HA2 -0.292 3.668 3.960 0.000 0.000 0.236 562 G HA3 -0.292 3.668 3.960 0.000 0.000 0.236 562 G C 0.079 174.941 174.900 -0.063 0.000 0.987 562 G CA 0.101 45.194 45.100 -0.012 0.000 0.635 562 G HN 0.537 nan 8.290 nan 0.000 0.520 563 E N 0.885 121.043 120.200 -0.070 0.000 2.384 563 E HA 0.507 4.858 4.350 0.000 0.000 0.266 563 E C 0.547 176.922 176.600 -0.375 0.000 1.012 563 E CA -0.103 56.154 56.400 -0.238 0.000 0.901 563 E CB 0.200 29.759 29.700 -0.234 0.000 0.967 563 E HN 0.400 nan 8.360 nan 0.000 0.435 564 L N 5.179 126.118 121.223 -0.474 0.000 2.317 564 L HA 0.412 4.752 4.340 0.000 0.000 0.281 564 L C -0.880 175.652 176.870 -0.563 0.000 1.024 564 L CA -0.960 53.657 54.840 -0.372 0.000 0.810 564 L CB 0.796 42.736 42.059 -0.197 0.000 1.240 564 L HN 0.601 nan 8.230 nan 0.000 0.427 565 Y N 0.985 121.256 120.300 -0.048 0.000 2.338 565 Y HA 0.685 5.236 4.550 0.000 0.000 0.333 565 Y C 0.553 176.419 175.900 -0.056 0.000 0.968 565 Y CA -0.729 57.343 58.100 -0.048 0.000 1.123 565 Y CB 2.210 40.637 38.460 -0.055 0.000 1.165 565 Y HN 0.581 nan 8.280 nan 0.000 0.452 566 G N 0.862 109.710 108.800 0.081 0.000 2.569 566 G HA2 0.846 4.806 3.960 0.000 0.000 0.300 566 G HA3 0.846 4.806 3.960 0.000 0.000 0.300 566 G C -1.699 173.223 174.900 0.035 0.000 1.269 566 G CA -1.092 44.032 45.100 0.040 0.000 0.959 566 G HN 0.811 nan 8.290 nan 0.000 0.478 567 A N 0.033 122.866 122.820 0.022 0.000 2.513 567 A HA 0.751 5.071 4.320 0.000 0.000 0.296 567 A C -0.498 177.098 177.584 0.021 0.000 1.052 567 A CA -0.444 51.604 52.037 0.018 0.000 0.714 567 A CB 1.535 20.540 19.000 0.007 0.000 1.279 567 A HN 0.868 nan 8.150 nan 0.000 0.397 568 S N 1.244 116.957 115.700 0.022 0.000 2.489 568 S HA 0.387 4.858 4.470 0.000 0.000 0.291 568 S C -0.394 174.217 174.600 0.018 0.000 1.151 568 S CA -0.433 57.783 58.200 0.026 0.000 1.082 568 S CB 1.111 64.326 63.200 0.026 0.000 1.019 568 S HN 0.759 nan 8.310 nan 0.000 0.492 569 D N 3.240 123.652 120.400 0.019 0.000 2.493 569 D HA 0.048 4.689 4.640 0.000 0.000 0.240 569 D C -1.298 175.007 176.300 0.009 0.000 1.142 569 D CA -1.307 52.700 54.000 0.011 0.000 0.872 569 D CB 1.156 41.962 40.800 0.011 0.000 1.173 569 D HN 0.196 nan 8.370 nan 0.000 0.467 570 P HA -0.046 nan 4.420 nan 0.000 0.229 570 P C 0.891 178.193 177.300 0.003 0.000 1.160 570 P CA 0.531 63.632 63.100 0.003 0.000 0.777 570 P CB 0.359 32.059 31.700 -0.001 0.000 0.814 571 R N -0.101 120.401 120.500 0.002 0.000 2.237 571 R HA 0.072 4.412 4.340 0.000 0.000 0.219 571 R C 0.585 176.887 176.300 0.004 0.000 1.080 571 R CA 0.633 56.734 56.100 0.002 0.000 0.995 571 R CB -0.268 30.032 30.300 0.001 0.000 0.875 571 R HN 0.110 nan 8.270 nan 0.000 0.462 572 S N 1.240 116.943 115.700 0.006 0.000 2.520 572 S HA 0.230 4.701 4.470 0.000 0.000 0.324 572 S C -0.026 174.579 174.600 0.008 0.000 1.069 572 S CA -0.872 57.332 58.200 0.007 0.000 1.121 572 S CB 1.625 64.832 63.200 0.012 0.000 0.971 572 S HN 0.136 nan 8.310 nan 0.000 0.463 573 V N 0.736 120.654 119.914 0.007 0.000 2.843 573 V HA 0.347 4.467 4.120 0.000 0.000 0.305 573 V C 0.379 176.478 176.094 0.008 0.000 1.065 573 V CA -0.246 62.058 62.300 0.007 0.000 1.116 573 V CB 0.074 31.902 31.823 0.008 0.000 0.968 573 V HN 0.903 nan 8.190 nan 0.000 0.487 574 D N -0.039 120.366 120.400 0.008 0.000 3.077 574 D HA -0.152 4.488 4.640 0.000 0.000 0.212 574 D C 0.127 176.431 176.300 0.007 0.000 1.125 574 D CA 1.625 55.629 54.000 0.007 0.000 0.970 574 D CB -1.154 39.651 40.800 0.007 0.000 1.110 574 D HN 1.135 nan 8.370 nan 0.000 0.419 575 D N 0.520 120.926 120.400 0.010 0.000 2.423 575 D HA 0.601 5.242 4.640 0.000 0.000 0.255 575 D C 0.231 176.538 176.300 0.012 0.000 1.174 575 D CA -0.615 53.393 54.000 0.013 0.000 1.008 575 D CB 1.324 42.137 40.800 0.021 0.000 1.101 575 D HN 0.179 nan 8.370 nan 0.000 0.516 576 L N -1.461 119.770 121.223 0.014 0.000 2.591 576 L HA 0.485 4.825 4.340 0.000 0.000 0.257 576 L C -1.533 175.346 176.870 0.016 0.000 0.935 576 L CA -0.041 54.806 54.840 0.012 0.000 0.873 576 L CB 2.383 44.444 42.059 0.004 0.000 1.397 576 L HN 0.552 nan 8.230 nan 0.000 0.414 577 T N 3.358 117.923 114.554 0.018 0.000 2.809 577 T HA 0.950 5.300 4.350 0.000 0.000 0.284 577 T C -0.773 173.938 174.700 0.018 0.000 0.992 577 T CA 0.021 62.135 62.100 0.022 0.000 0.957 577 T CB 1.444 70.327 68.868 0.025 0.000 0.942 577 T HN 0.896 nan 8.240 nan 0.000 0.439 578 A N 2.243 125.076 122.820 0.021 0.000 2.594 578 A HA 1.050 5.370 4.320 0.000 0.000 0.291 578 A C -0.181 177.430 177.584 0.046 0.000 1.105 578 A CA -0.467 51.586 52.037 0.026 0.000 0.694 578 A CB 1.822 20.835 19.000 0.021 0.000 1.291 578 A HN 1.092 nan 8.150 nan 0.000 0.410 579 G N -1.425 107.415 108.800 0.066 0.000 2.731 579 G HA2 0.765 4.726 3.960 0.000 0.000 0.309 579 G HA3 0.765 4.726 3.960 0.000 0.000 0.309 579 G C -1.178 173.850 174.900 0.215 0.000 1.273 579 G CA 0.281 45.458 45.100 0.128 0.000 0.798 579 G HN 2.060 nan 8.290 nan 0.000 0.509 580 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