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 1s00_1_S DATA FIRST_RESID 3 DATA SEQUENCE YQNIFSQVQV RGPADLGMTE DVNLANRSGV GPFSTLLGWF GNAQLGPIYL DATA SEQUENCE GSLGVLSLFS GLMWFFTIGI WFWYQAGWNP AVFLRDLFFF SLEPPAPEYG DATA SEQUENCE LSFAAPLKEG GLWLIASFFM FVAVWSWWGR TYLRAQALGM GKHTAWAFLS DATA SEQUENCE AIWLWMVLGF IRPILMGSWS EAVPYGIFSH LDWTNNFSLV HGNLFYNPFH DATA SEQUENCE GLSIAFLYGS ALLFAMHGAT ILAVSRFGGE CELEQIADRG TAAERAALFW DATA SEQUENCE RWTMGFNATM EGIHRWAIWM AVLVTLTGGI GILLSGTVVD NWYVWGQNH 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 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.889 175.900 -0.018 0.000 1.272 3 Y CA 0.000 58.096 58.100 -0.007 0.000 1.940 3 Y CB 0.000 38.454 38.460 -0.010 0.000 1.050 4 Q N 3.210 122.765 119.800 -0.409 0.000 2.384 4 Q HA 0.178 4.519 4.340 0.001 0.000 0.207 4 Q C 0.578 176.180 176.000 -0.664 0.000 0.904 4 Q CA 1.304 56.862 55.803 -0.408 0.000 0.933 4 Q CB 0.050 28.673 28.738 -0.192 0.000 1.077 4 Q HN 0.693 nan 8.270 nan 0.000 0.522 5 N N -1.023 116.855 118.700 -1.369 0.000 2.747 5 N HA -0.175 4.566 4.740 0.001 0.000 0.249 5 N C -0.071 175.170 175.510 -0.448 0.000 1.107 5 N CA 0.725 53.139 53.050 -1.059 0.000 0.707 5 N CB -1.088 37.000 38.487 -0.665 0.000 1.054 5 N HN 0.251 nan 8.380 nan 0.000 0.555 6 I N -1.245 119.133 120.570 -0.320 0.000 2.628 6 I HA 0.157 4.328 4.170 0.001 0.000 0.255 6 I C 0.594 176.434 176.117 -0.462 0.000 1.119 6 I CA 1.054 62.145 61.300 -0.348 0.000 1.448 6 I CB -0.552 37.327 38.000 -0.203 0.000 1.133 6 I HN 0.077 nan 8.210 nan 0.000 0.438 7 F N 0.445 120.439 119.950 0.073 0.000 2.520 7 F HA 0.375 4.903 4.527 0.002 0.000 0.322 7 F C 0.910 176.905 175.800 0.325 0.000 1.103 7 F CA -0.723 57.414 58.000 0.228 0.000 0.926 7 F CB 1.355 40.492 39.000 0.228 0.000 1.154 7 F HN -0.311 nan 8.300 nan 0.000 0.453 8 S N 1.874 117.890 115.700 0.525 0.000 2.568 8 S HA 0.023 4.494 4.470 0.001 0.000 0.282 8 S C 0.975 175.875 174.600 0.500 0.000 1.338 8 S CA -0.407 58.059 58.200 0.443 0.000 1.045 8 S CB 1.076 64.443 63.200 0.278 0.000 0.873 8 S HN 0.736 nan 8.310 nan 0.000 0.516 9 Q N 0.551 120.498 119.800 0.245 0.000 2.062 9 Q HA 0.125 4.466 4.340 0.001 0.000 0.196 9 Q C 0.169 176.318 176.000 0.249 0.000 0.967 9 Q CA 0.753 56.648 55.803 0.153 0.000 0.832 9 Q CB 0.228 28.870 28.738 -0.160 0.000 0.899 9 Q HN 0.442 nan 8.270 nan 0.000 0.442 10 V N 0.936 120.932 119.914 0.137 0.000 2.588 10 V HA 0.214 4.335 4.120 0.001 0.000 0.304 10 V C -1.389 174.710 176.094 0.007 0.000 1.042 10 V CA -0.586 61.771 62.300 0.095 0.000 0.877 10 V CB 1.918 33.754 31.823 0.021 0.000 0.996 10 V HN 0.154 nan 8.190 nan 0.000 0.425 11 Q N 3.522 123.262 119.800 -0.101 0.000 2.274 11 Q HA 0.560 4.901 4.340 0.001 0.000 0.256 11 Q C -1.013 174.914 176.000 -0.123 0.000 0.927 11 Q CA -0.277 55.410 55.803 -0.195 0.000 0.939 11 Q CB 2.265 30.739 28.738 -0.440 0.000 1.201 11 Q HN 0.574 nan 8.270 nan 0.000 0.426 12 V N 3.573 123.434 119.914 -0.088 0.000 2.513 12 V HA 0.559 4.680 4.120 0.001 0.000 0.299 12 V C -0.907 175.147 176.094 -0.067 0.000 1.035 12 V CA -0.528 61.732 62.300 -0.068 0.000 0.889 12 V CB 1.930 33.725 31.823 -0.046 0.000 0.988 12 V HN 0.694 nan 8.190 nan 0.000 0.440 13 R N 3.226 123.677 120.500 -0.082 0.000 2.575 13 R HA 0.728 5.069 4.340 0.001 0.000 0.293 13 R C -0.179 176.054 176.300 -0.112 0.000 0.983 13 R CA -0.017 56.023 56.100 -0.099 0.000 0.887 13 R CB 1.956 32.147 30.300 -0.181 0.000 1.184 13 R HN 0.892 nan 8.270 nan 0.000 0.445 14 G N 2.568 111.322 108.800 -0.077 0.000 2.932 14 G HA2 0.550 4.510 3.960 0.001 0.000 0.283 14 G HA3 0.550 4.510 3.960 0.001 0.000 0.283 14 G C -2.295 172.556 174.900 -0.082 0.000 1.336 14 G CA -1.222 43.838 45.100 -0.067 0.000 1.056 14 G HN 0.564 nan 8.290 nan 0.000 0.522 15 P HA 0.323 nan 4.420 nan 0.000 0.268 15 P C 0.106 177.450 177.300 0.073 0.000 1.208 15 P CA 0.008 63.093 63.100 -0.025 0.000 0.777 15 P CB 0.617 32.309 31.700 -0.013 0.000 0.875 16 A N 1.923 124.831 122.820 0.148 0.000 2.567 16 A HA -0.018 4.302 4.320 0.001 0.000 0.240 16 A C 0.529 178.192 177.584 0.131 0.000 1.053 16 A CA 0.250 52.450 52.037 0.272 0.000 0.755 16 A CB -0.514 18.629 19.000 0.238 0.000 0.978 16 A HN 0.572 nan 8.150 nan 0.000 0.507 17 D N 2.734 123.200 120.400 0.111 0.000 2.347 17 D HA 0.322 4.963 4.640 0.001 0.000 0.235 17 D C 0.699 177.011 176.300 0.020 0.000 1.149 17 D CA -0.170 53.859 54.000 0.048 0.000 0.850 17 D CB 0.750 41.572 40.800 0.036 0.000 1.061 17 D HN 0.489 nan 8.370 nan 0.000 0.487 18 L N 2.983 124.215 121.223 0.015 0.000 2.591 18 L HA 0.223 4.564 4.340 0.001 0.000 0.228 18 L C 1.483 178.351 176.870 -0.004 0.000 1.133 18 L CA -0.018 54.825 54.840 0.005 0.000 0.880 18 L CB -0.717 41.346 42.059 0.007 0.000 1.033 18 L HN 0.540 nan 8.230 nan 0.000 0.450 19 G N 0.783 109.579 108.800 -0.008 0.000 2.953 19 G HA2 -0.261 3.700 3.960 0.001 0.000 0.421 19 G HA3 -0.261 3.700 3.960 0.001 0.000 0.421 19 G C 0.010 174.898 174.900 -0.020 0.000 1.531 19 G CA -0.830 44.259 45.100 -0.017 0.000 0.971 19 G HN -0.012 nan 8.290 nan 0.000 0.558 20 M N 0.673 120.255 119.600 -0.030 0.000 2.240 20 M HA 0.062 4.543 4.480 0.001 0.000 0.346 20 M C 1.755 178.037 176.300 -0.031 0.000 1.236 20 M CA 0.978 56.258 55.300 -0.034 0.000 0.986 20 M CB -0.509 32.063 32.600 -0.047 0.000 1.786 20 M HN 0.690 nan 8.290 nan 0.000 0.457 21 T N 1.146 115.685 114.554 -0.025 0.000 2.837 21 T HA 0.017 4.368 4.350 0.001 0.000 0.242 21 T C 0.761 175.442 174.700 -0.031 0.000 1.044 21 T CA 0.771 62.859 62.100 -0.018 0.000 1.202 21 T CB 0.057 68.917 68.868 -0.013 0.000 0.905 21 T HN 0.788 nan 8.240 nan 0.000 0.413 22 E N 0.336 120.516 120.200 -0.034 0.000 3.582 22 E HA -0.186 4.165 4.350 0.001 0.000 0.231 22 E C -0.155 176.421 176.600 -0.039 0.000 1.450 22 E CA 1.194 57.568 56.400 -0.043 0.000 2.201 22 E CB -1.018 28.644 29.700 -0.063 0.000 2.094 22 E HN 0.343 nan 8.360 nan 0.000 0.494 23 D N -0.247 120.123 120.400 -0.050 0.000 2.371 23 D HA 0.028 4.669 4.640 0.001 0.000 0.234 23 D C -0.049 176.229 176.300 -0.038 0.000 1.049 23 D CA 0.575 54.550 54.000 -0.043 0.000 0.907 23 D CB -0.203 40.566 40.800 -0.052 0.000 0.891 23 D HN 0.089 nan 8.370 nan 0.000 0.531 24 V N 1.956 121.846 119.914 -0.040 0.000 2.572 24 V HA -0.056 4.065 4.120 0.001 0.000 0.291 24 V C 0.778 176.911 176.094 0.066 0.000 1.039 24 V CA -0.568 61.726 62.300 -0.010 0.000 1.055 24 V CB 0.909 32.717 31.823 -0.025 0.000 0.969 24 V HN 0.048 nan 8.190 nan 0.000 0.482 25 N N 5.366 124.153 118.700 0.146 0.000 2.448 25 N HA 0.089 4.830 4.740 0.001 0.000 0.250 25 N C 0.702 176.273 175.510 0.101 0.000 1.136 25 N CA -0.368 52.749 53.050 0.111 0.000 0.953 25 N CB 0.551 39.100 38.487 0.103 0.000 1.251 25 N HN 0.484 nan 8.380 nan 0.000 0.502 26 L N 2.509 123.759 121.223 0.046 0.000 2.349 26 L HA -0.109 4.232 4.340 0.001 0.000 0.220 26 L C 2.055 178.895 176.870 -0.049 0.000 1.130 26 L CA 1.147 55.994 54.840 0.011 0.000 0.791 26 L CB -1.997 40.063 42.059 0.002 0.000 0.918 26 L HN 0.665 nan 8.230 nan 0.000 0.444 27 A N 0.216 123.001 122.820 -0.058 0.000 1.933 27 A HA -0.185 4.136 4.320 0.001 0.000 0.218 27 A C 1.951 179.435 177.584 -0.168 0.000 1.175 27 A CA 1.554 53.538 52.037 -0.089 0.000 0.628 27 A CB -0.389 18.570 19.000 -0.068 0.000 0.814 27 A HN 0.491 nan 8.150 nan 0.000 0.444 28 N N -0.827 117.699 118.700 -0.290 0.000 2.398 28 N HA 0.006 4.747 4.740 0.001 0.000 0.188 28 N C 0.590 175.718 175.510 -0.637 0.000 1.122 28 N CA 0.198 52.910 53.050 -0.564 0.000 0.866 28 N CB -0.012 37.891 38.487 -0.973 0.000 0.970 28 N HN 0.418 nan 8.380 nan 0.000 0.462 29 R N 1.603 121.894 120.500 -0.349 0.000 2.265 29 R HA 0.125 4.466 4.340 0.001 0.000 0.314 29 R C 0.652 176.881 176.300 -0.117 0.000 1.053 29 R CA -0.195 55.805 56.100 -0.166 0.000 0.931 29 R CB 0.603 30.894 30.300 -0.014 0.000 1.024 29 R HN 0.066 nan 8.270 nan 0.000 0.457 30 S N 2.305 117.951 115.700 -0.091 0.000 2.625 30 S HA 0.499 4.970 4.470 0.001 0.000 0.262 30 S C 0.506 175.082 174.600 -0.040 0.000 1.223 30 S CA -0.434 57.727 58.200 -0.065 0.000 0.993 30 S CB 0.970 64.139 63.200 -0.052 0.000 1.051 30 S HN 0.646 nan 8.310 nan 0.000 0.562 31 G N -0.853 107.929 108.800 -0.030 0.000 2.462 31 G HA2 0.504 4.465 3.960 0.001 0.000 0.319 31 G HA3 0.504 4.465 3.960 0.001 0.000 0.319 31 G C -0.302 174.587 174.900 -0.019 0.000 1.171 31 G CA -0.732 44.358 45.100 -0.017 0.000 0.920 31 G HN 0.896 nan 8.290 nan 0.000 0.499 32 V N 0.611 120.519 119.914 -0.010 0.000 3.061 32 V HA 0.439 4.560 4.120 0.001 0.000 0.306 32 V C 1.218 177.289 176.094 -0.039 0.000 1.118 32 V CA 1.169 63.449 62.300 -0.033 0.000 1.231 32 V CB 0.817 32.645 31.823 0.010 0.000 0.956 32 V HN 0.997 nan 8.190 nan 0.000 0.499 33 G N 5.230 113.969 108.800 -0.102 0.000 2.702 33 G HA2 0.641 4.602 3.960 0.001 0.000 0.254 33 G HA3 0.641 4.602 3.960 0.001 0.000 0.254 33 G C -2.757 172.092 174.900 -0.085 0.000 1.380 33 G CA -1.048 44.005 45.100 -0.079 0.000 1.042 33 G HN 0.666 nan 8.290 nan 0.000 0.557 34 P HA 0.334 nan 4.420 nan 0.000 0.274 34 P C -1.139 176.123 177.300 -0.063 0.000 1.260 34 P CA -0.137 62.986 63.100 0.039 0.000 0.793 34 P CB 0.422 32.143 31.700 0.036 0.000 1.048 35 F N -0.684 119.258 119.950 -0.014 0.000 2.467 35 F HA 0.358 4.886 4.527 0.001 0.000 0.336 35 F C 0.664 176.450 175.800 -0.023 0.000 1.123 35 F CA -0.359 57.627 58.000 -0.023 0.000 0.964 35 F CB 1.485 40.465 39.000 -0.034 0.000 1.136 35 F HN 0.019 nan 8.300 nan 0.000 0.447 36 S N 2.344 118.096 115.700 0.085 0.000 2.404 36 S HA 0.180 4.651 4.470 0.001 0.000 0.309 36 S C 1.054 175.671 174.600 0.029 0.000 1.076 36 S CA -0.391 57.844 58.200 0.058 0.000 1.095 36 S CB 0.620 63.840 63.200 0.034 0.000 0.972 36 S HN 0.771 nan 8.310 nan 0.000 0.484 37 T N 5.598 120.159 114.554 0.012 0.000 2.720 37 T HA -0.135 4.216 4.350 0.001 0.000 0.268 37 T C 1.766 176.383 174.700 -0.139 0.000 1.037 37 T CA 1.595 63.628 62.100 -0.112 0.000 1.144 37 T CB -0.344 68.499 68.868 -0.042 0.000 0.864 37 T HN 0.566 nan 8.240 nan 0.000 0.444 38 L N 1.006 122.281 121.223 0.088 0.000 1.990 38 L HA -0.067 4.274 4.340 0.001 0.000 0.213 38 L C 2.215 179.233 176.870 0.247 0.000 1.072 38 L CA 1.744 56.739 54.840 0.258 0.000 0.755 38 L CB -0.693 41.481 42.059 0.192 0.000 0.889 38 L HN 0.274 nan 8.230 nan 0.000 0.432 39 L N -0.918 120.386 121.223 0.135 0.000 2.131 39 L HA -0.138 4.203 4.340 0.001 0.000 0.210 39 L C 2.503 179.456 176.870 0.139 0.000 1.092 39 L CA 1.049 55.978 54.840 0.150 0.000 0.759 39 L CB -1.353 40.756 42.059 0.083 0.000 0.903 39 L HN 0.513 nan 8.230 nan 0.000 0.435 40 G N -0.317 108.471 108.800 -0.020 0.000 2.475 40 G HA2 -0.281 3.680 3.960 0.001 0.000 0.220 40 G HA3 -0.281 3.680 3.960 0.001 0.000 0.220 40 G C 1.119 175.962 174.900 -0.094 0.000 1.125 40 G CA 0.542 45.557 45.100 -0.141 0.000 0.755 40 G HN 0.454 nan 8.290 nan 0.000 0.565 41 W N -1.258 120.178 121.300 0.227 0.000 2.465 41 W HA 0.232 4.893 4.660 0.001 0.000 0.268 41 W C 1.982 178.731 176.519 0.383 0.000 1.242 41 W CA -0.291 57.245 57.345 0.319 0.000 1.248 41 W CB -0.173 29.524 29.460 0.396 0.000 1.118 41 W HN 0.152 nan 8.180 nan 0.000 0.587 42 F N -0.942 119.195 119.950 0.311 0.000 2.514 42 F HA 0.413 4.941 4.527 0.001 0.000 0.281 42 F C 1.462 177.276 175.800 0.023 0.000 1.060 42 F CA 1.266 59.327 58.000 0.102 0.000 1.397 42 F CB -0.142 38.905 39.000 0.079 0.000 1.129 42 F HN -0.230 nan 8.300 nan 0.000 0.620 43 G N -0.771 108.113 108.800 0.139 0.000 2.846 43 G HA2 0.178 4.139 3.960 0.001 0.000 0.299 43 G HA3 0.178 4.139 3.960 0.001 0.000 0.299 43 G C -1.266 173.656 174.900 0.037 0.000 1.242 43 G CA -1.022 44.097 45.100 0.031 0.000 0.800 43 G HN 0.014 nan 8.290 nan 0.000 0.538 44 N N 0.211 118.921 118.700 0.017 0.000 2.395 44 N HA 0.298 5.039 4.740 0.001 0.000 0.246 44 N C 1.016 176.528 175.510 0.004 0.000 1.246 44 N CA 0.392 53.445 53.050 0.005 0.000 0.879 44 N CB 1.381 39.861 38.487 -0.012 0.000 1.098 44 N HN 0.543 nan 8.380 nan 0.000 0.444 45 A N 1.806 124.634 122.820 0.013 0.000 2.195 45 A HA -0.045 4.276 4.320 0.001 0.000 0.210 45 A C 0.821 178.349 177.584 -0.093 0.000 1.165 45 A CA 0.229 52.279 52.037 0.022 0.000 0.806 45 A CB 0.120 19.178 19.000 0.096 0.000 0.847 45 A HN 0.754 nan 8.150 nan 0.000 0.482 46 Q N 0.548 120.220 119.800 -0.214 0.000 2.296 46 Q HA 0.495 4.835 4.340 0.001 0.000 0.262 46 Q C -1.370 174.395 176.000 -0.392 0.000 0.981 46 Q CA -0.090 55.340 55.803 -0.623 0.000 0.905 46 Q CB 0.495 28.921 28.738 -0.520 0.000 1.186 46 Q HN 0.493 nan 8.270 nan 0.000 0.399 47 L N 3.758 124.717 121.223 -0.441 0.000 2.317 47 L HA 0.671 5.012 4.340 0.001 0.000 0.281 47 L C 0.432 177.169 176.870 -0.223 0.000 1.024 47 L CA -0.159 54.539 54.840 -0.236 0.000 0.810 47 L CB 1.725 43.685 42.059 -0.166 0.000 1.240 47 L HN 0.992 nan 8.230 nan 0.000 0.427 48 G N 3.480 112.199 108.800 -0.135 0.000 2.795 48 G HA2 -0.139 3.822 3.960 0.001 0.000 0.664 48 G HA3 -0.139 3.822 3.960 0.001 0.000 0.664 48 G C -3.020 171.821 174.900 -0.100 0.000 1.381 48 G CA -0.977 44.065 45.100 -0.097 0.000 0.853 48 G HN 0.459 nan 8.290 nan 0.000 0.545 49 P HA 0.568 nan 4.420 nan 0.000 0.288 49 P C -0.305 176.987 177.300 -0.014 0.000 1.267 49 P CA -0.524 62.555 63.100 -0.035 0.000 0.815 49 P CB 1.651 33.338 31.700 -0.022 0.000 0.989 50 I N 3.173 123.739 120.570 -0.005 0.000 2.437 50 I HA 0.301 4.471 4.170 0.001 0.000 0.298 50 I C -0.682 175.462 176.117 0.044 0.000 0.984 50 I CA -1.254 60.061 61.300 0.025 0.000 1.214 50 I CB 0.990 39.005 38.000 0.026 0.000 1.365 50 I HN 0.279 nan 8.210 nan 0.000 0.469 51 Y N 7.380 127.642 120.300 -0.064 0.000 2.308 51 Y HA 0.549 5.100 4.550 0.002 0.000 0.329 51 Y C -1.086 174.771 175.900 -0.072 0.000 1.111 51 Y CA -0.413 57.642 58.100 -0.075 0.000 1.179 51 Y CB 0.933 39.330 38.460 -0.105 0.000 1.201 51 Y HN 0.430 nan 8.280 nan 0.000 0.483 52 L N 7.164 128.226 121.223 -0.269 0.000 2.489 52 L HA 0.406 4.747 4.340 0.001 0.000 0.257 52 L C 0.436 177.182 176.870 -0.208 0.000 1.215 52 L CA -0.446 54.326 54.840 -0.114 0.000 0.915 52 L CB 0.875 42.891 42.059 -0.071 0.000 1.146 52 L HN 0.896 nan 8.230 nan 0.000 0.494 53 G N -0.075 108.691 108.800 -0.058 0.000 2.494 53 G HA2 0.197 4.158 3.960 0.001 0.000 0.270 53 G HA3 0.197 4.158 3.960 0.001 0.000 0.270 53 G C 0.795 175.700 174.900 0.009 0.000 1.423 53 G CA -0.095 44.995 45.100 -0.015 0.000 1.055 53 G HN 0.382 nan 8.290 nan 0.000 0.536 54 S N -0.930 114.783 115.700 0.022 0.000 2.406 54 S HA -0.090 4.381 4.470 0.001 0.000 0.228 54 S C 2.298 176.924 174.600 0.044 0.000 1.020 54 S CA 0.441 58.652 58.200 0.019 0.000 0.965 54 S CB -0.286 62.922 63.200 0.014 0.000 0.798 54 S HN 0.310 nan 8.310 nan 0.000 0.488 55 L N 1.911 123.166 121.223 0.053 0.000 2.083 55 L HA 0.036 4.377 4.340 0.001 0.000 0.209 55 L C 2.233 179.146 176.870 0.071 0.000 1.083 55 L CA 1.718 56.593 54.840 0.059 0.000 0.752 55 L CB -1.238 40.838 42.059 0.028 0.000 0.899 55 L HN 0.334 nan 8.230 nan 0.000 0.433 56 G N -1.771 107.062 108.800 0.055 0.000 2.394 56 G HA2 -0.141 3.820 3.960 0.001 0.000 0.215 56 G HA3 -0.141 3.820 3.960 0.001 0.000 0.215 56 G C 1.527 176.508 174.900 0.136 0.000 1.165 56 G CA 0.836 45.983 45.100 0.079 0.000 0.784 56 G HN 0.285 nan 8.290 nan 0.000 0.535 57 V N 0.769 120.737 119.914 0.091 0.000 2.515 57 V HA -0.097 4.023 4.120 0.001 0.000 0.250 57 V C 2.636 178.816 176.094 0.142 0.000 1.058 57 V CA 1.478 63.833 62.300 0.091 0.000 1.064 57 V CB -0.273 31.566 31.823 0.025 0.000 0.675 57 V HN 0.363 nan 8.190 nan 0.000 0.461 58 L N 0.134 121.437 121.223 0.133 0.000 1.994 58 L HA -0.140 4.201 4.340 0.001 0.000 0.208 58 L C 2.628 179.646 176.870 0.246 0.000 1.071 58 L CA 2.561 57.511 54.840 0.182 0.000 0.745 58 L CB -0.900 41.245 42.059 0.145 0.000 0.892 58 L HN 0.296 nan 8.230 nan 0.000 0.431 59 S N -0.649 115.186 115.700 0.224 0.000 2.351 59 S HA -0.191 4.280 4.470 0.001 0.000 0.220 59 S C 2.064 176.788 174.600 0.207 0.000 1.035 59 S CA 1.641 59.990 58.200 0.249 0.000 1.031 59 S CB -0.713 62.725 63.200 0.398 0.000 0.928 59 S HN 0.516 nan 8.310 nan 0.000 0.433 60 L N 0.270 121.629 121.223 0.226 0.000 2.079 60 L HA -0.099 4.242 4.340 0.001 0.000 0.210 60 L C 2.129 179.062 176.870 0.105 0.000 1.081 60 L CA 2.226 57.153 54.840 0.146 0.000 0.752 60 L CB -1.018 41.133 42.059 0.153 0.000 0.896 60 L HN 0.533 nan 8.230 nan 0.000 0.433 61 F N 0.681 120.634 119.950 0.006 0.000 2.084 61 F HA -0.176 4.352 4.527 0.001 0.000 0.296 61 F C 2.581 178.316 175.800 -0.107 0.000 1.111 61 F CA 1.916 59.882 58.000 -0.057 0.000 1.224 61 F CB -0.480 38.491 39.000 -0.048 0.000 0.991 61 F HN 0.040 nan 8.300 nan 0.000 0.471 62 S N 0.392 116.002 115.700 -0.150 0.000 2.382 62 S HA -0.121 4.349 4.470 0.001 0.000 0.228 62 S C 2.288 176.810 174.600 -0.130 0.000 1.027 62 S CA 1.171 59.237 58.200 -0.224 0.000 0.991 62 S CB -1.321 61.950 63.200 0.120 0.000 0.823 62 S HN 0.623 nan 8.310 nan 0.000 0.469 63 G N 1.338 110.126 108.800 -0.020 0.000 2.422 63 G HA2 -0.066 3.894 3.960 0.001 0.000 0.218 63 G HA3 -0.066 3.894 3.960 0.001 0.000 0.218 63 G C 1.302 176.280 174.900 0.131 0.000 1.140 63 G CA 0.391 45.549 45.100 0.096 0.000 0.775 63 G HN 0.432 nan 8.290 nan 0.000 0.545 64 L N -0.160 121.028 121.223 -0.058 0.000 2.131 64 L HA 0.036 4.377 4.340 0.001 0.000 0.206 64 L C 2.966 179.795 176.870 -0.069 0.000 1.087 64 L CA 0.373 55.191 54.840 -0.035 0.000 0.767 64 L CB -0.266 41.723 42.059 -0.116 0.000 0.917 64 L HN 0.118 nan 8.230 nan 0.000 0.441 65 M N -1.091 118.244 119.600 -0.441 0.000 2.132 65 M HA -0.211 4.269 4.480 0.001 0.000 0.263 65 M C 2.088 178.322 176.300 -0.110 0.000 1.065 65 M CA 1.592 56.497 55.300 -0.658 0.000 1.122 65 M CB -1.220 30.197 32.600 -1.972 0.000 1.365 65 M HN 0.436 nan 8.290 nan 0.000 0.411 66 W N 0.823 122.070 121.300 -0.088 0.000 2.332 66 W HA -0.280 4.381 4.660 0.002 0.000 0.321 66 W C 2.222 178.739 176.519 -0.005 0.000 1.219 66 W CA 1.569 58.948 57.345 0.056 0.000 1.277 66 W CB -1.197 28.261 29.460 -0.004 0.000 1.161 66 W HN 0.181 nan 8.180 nan 0.000 0.476 67 F N -0.158 119.490 119.950 -0.504 0.000 2.126 67 F HA -0.187 4.341 4.527 0.001 0.000 0.299 67 F C 2.263 177.804 175.800 -0.432 0.000 1.096 67 F CA 2.200 59.743 58.000 -0.762 0.000 1.255 67 F CB -1.078 37.692 39.000 -0.383 0.000 0.997 67 F HN -0.079 nan 8.300 nan 0.000 0.479 68 F N 0.444 120.279 119.950 -0.192 0.000 2.146 68 F HA -0.186 4.342 4.527 0.001 0.000 0.298 68 F C 2.500 178.217 175.800 -0.138 0.000 1.096 68 F CA 2.037 59.947 58.000 -0.150 0.000 1.275 68 F CB -0.842 38.103 39.000 -0.091 0.000 1.008 68 F HN -0.144 nan 8.300 nan 0.000 0.480 69 T N 0.850 115.452 114.554 0.080 0.000 2.684 69 T HA -0.208 4.143 4.350 0.001 0.000 0.267 69 T C 2.110 176.806 174.700 -0.007 0.000 1.036 69 T CA 1.865 64.029 62.100 0.108 0.000 1.148 69 T CB -0.521 68.445 68.868 0.163 0.000 0.863 69 T HN 0.200 nan 8.240 nan 0.000 0.436 70 I N 1.299 121.703 120.570 -0.276 0.000 2.179 70 I HA -0.111 4.060 4.170 0.001 0.000 0.242 70 I C 2.963 178.810 176.117 -0.450 0.000 1.088 70 I CA 1.396 62.476 61.300 -0.365 0.000 1.357 70 I CB -0.913 36.601 38.000 -0.809 0.000 1.051 70 I HN 0.314 nan 8.210 nan 0.000 0.409 71 G N 1.081 109.513 108.800 -0.614 0.000 2.418 71 G HA2 -0.257 3.703 3.960 0.001 0.000 0.217 71 G HA3 -0.257 3.703 3.960 0.001 0.000 0.217 71 G C 1.655 176.587 174.900 0.055 0.000 1.158 71 G CA 0.623 45.469 45.100 -0.423 0.000 0.771 71 G HN 0.235 nan 8.290 nan 0.000 0.545 72 I N -0.295 120.312 120.570 0.061 0.000 2.264 72 I HA -0.110 4.061 4.170 0.001 0.000 0.248 72 I C 2.344 178.629 176.117 0.279 0.000 1.111 72 I CA 0.855 62.300 61.300 0.241 0.000 1.382 72 I CB -0.215 37.953 38.000 0.280 0.000 1.060 72 I HN 0.486 nan 8.210 nan 0.000 0.418 73 W N -0.033 121.344 121.300 0.129 0.000 2.379 73 W HA -0.293 4.368 4.660 0.002 0.000 0.307 73 W C 2.200 178.806 176.519 0.145 0.000 1.200 73 W CA 1.099 58.559 57.345 0.192 0.000 1.297 73 W CB -0.447 29.170 29.460 0.262 0.000 1.140 73 W HN 0.078 nan 8.180 nan 0.000 0.507 74 F N -0.211 119.578 119.950 -0.269 0.000 2.120 74 F HA -0.186 4.342 4.527 0.001 0.000 0.300 74 F C 2.063 177.268 175.800 -0.992 0.000 1.095 74 F CA 1.527 59.083 58.000 -0.739 0.000 1.249 74 F CB -1.630 37.074 39.000 -0.493 0.000 0.995 74 F HN -0.066 nan 8.300 nan 0.000 0.480 75 W N -1.584 119.489 121.300 -0.378 0.000 2.381 75 W HA -0.223 4.438 4.660 0.001 0.000 0.301 75 W C 2.604 178.301 176.519 -1.370 0.000 1.205 75 W CA 1.576 58.504 57.345 -0.695 0.000 1.285 75 W CB -1.138 27.963 29.460 -0.598 0.000 1.133 75 W HN 0.047 nan 8.180 nan 0.000 0.521 76 Y N 1.157 120.701 120.300 -1.261 0.000 2.145 76 Y HA -0.290 4.261 4.550 0.001 0.000 0.286 76 Y C 2.301 177.623 175.900 -0.963 0.000 1.145 76 Y CA 2.121 59.478 58.100 -1.240 0.000 1.148 76 Y CB -0.866 37.203 38.460 -0.651 0.000 0.981 76 Y HN 0.009 nan 8.280 nan 0.000 0.507 77 Q N -0.721 118.386 119.800 -1.155 0.000 2.364 77 Q HA -0.066 4.275 4.340 0.001 0.000 0.209 77 Q C 1.736 177.273 176.000 -0.772 0.000 0.977 77 Q CA 0.802 56.002 55.803 -1.005 0.000 0.885 77 Q CB -0.149 28.039 28.738 -0.918 0.000 0.941 77 Q HN 0.589 nan 8.270 nan 0.000 0.464 78 A N -0.768 121.517 122.820 -0.892 0.000 2.308 78 A HA 0.350 4.671 4.320 0.001 0.000 0.217 78 A C 1.309 178.689 177.584 -0.339 0.000 1.216 78 A CA 0.563 52.278 52.037 -0.538 0.000 0.864 78 A CB 0.046 18.686 19.000 -0.601 0.000 0.902 78 A HN 0.377 nan 8.150 nan 0.000 0.499 79 G N -2.237 106.280 108.800 -0.472 0.000 2.168 79 G HA2 -0.327 3.633 3.960 0.001 0.000 0.257 79 G HA3 -0.327 3.633 3.960 0.001 0.000 0.257 79 G C 0.307 175.231 174.900 0.040 0.000 0.997 79 G CA 0.251 45.216 45.100 -0.225 0.000 0.708 79 G HN 1.091 nan 8.290 nan 0.000 0.520 80 W N -1.734 119.619 121.300 0.089 0.000 3.834 80 W HA -0.190 4.471 4.660 0.002 0.000 0.320 80 W C 0.612 177.299 176.519 0.280 0.000 1.201 80 W CA 0.364 57.872 57.345 0.271 0.000 0.701 80 W CB -1.884 27.650 29.460 0.124 0.000 2.264 80 W HN 0.554 nan 8.180 nan 0.000 1.413 81 N N 0.899 119.768 118.700 0.282 0.000 2.462 81 N HA 0.175 4.916 4.740 0.001 0.000 0.242 81 N C -1.213 174.416 175.510 0.198 0.000 1.010 81 N CA -1.612 51.567 53.050 0.215 0.000 0.939 81 N CB 1.387 39.934 38.487 0.099 0.000 1.127 81 N HN -0.216 nan 8.380 nan 0.000 0.509 82 P HA -0.170 nan 4.420 nan 0.000 0.216 82 P C 0.903 178.282 177.300 0.132 0.000 1.154 82 P CA 1.557 64.809 63.100 0.254 0.000 0.865 82 P CB 0.298 32.184 31.700 0.309 0.000 0.789 83 A N -0.918 121.964 122.820 0.103 0.000 1.902 83 A HA -0.160 4.161 4.320 0.001 0.000 0.217 83 A C 2.268 179.865 177.584 0.021 0.000 1.181 83 A CA 1.943 54.014 52.037 0.057 0.000 0.623 83 A CB -1.633 17.392 19.000 0.043 0.000 0.818 83 A HN 0.071 nan 8.150 nan 0.000 0.443 84 V N -1.395 118.532 119.914 0.022 0.000 2.453 84 V HA -0.166 3.955 4.120 0.001 0.000 0.247 84 V C 2.221 178.342 176.094 0.045 0.000 1.048 84 V CA 1.680 63.980 62.300 0.001 0.000 1.049 84 V CB -1.039 30.784 31.823 0.000 0.000 0.672 84 V HN 0.607 nan 8.190 nan 0.000 0.457 85 F N 0.707 120.528 119.950 -0.216 0.000 2.095 85 F HA -0.198 4.330 4.527 0.001 0.000 0.298 85 F C 2.034 177.734 175.800 -0.168 0.000 1.104 85 F CA 1.810 59.583 58.000 -0.378 0.000 1.232 85 F CB -0.189 38.156 39.000 -1.091 0.000 0.987 85 F HN 0.015 nan 8.300 nan 0.000 0.475 86 L N 0.266 121.469 121.223 -0.033 0.000 2.005 86 L HA -0.196 4.145 4.340 0.001 0.000 0.207 86 L C 2.699 179.407 176.870 -0.271 0.000 1.072 86 L CA 1.813 56.572 54.840 -0.135 0.000 0.744 86 L CB -0.754 41.315 42.059 0.016 0.000 0.895 86 L HN 0.174 nan 8.230 nan 0.000 0.433 87 R N -0.270 120.118 120.500 -0.186 0.000 2.120 87 R HA -0.130 4.211 4.340 0.001 0.000 0.234 87 R C 0.926 177.022 176.300 -0.340 0.000 1.123 87 R CA 1.749 57.723 56.100 -0.210 0.000 0.975 87 R CB -0.388 29.827 30.300 -0.143 0.000 0.866 87 R HN 0.232 nan 8.270 nan 0.000 0.446 88 D N 0.142 120.262 120.400 -0.467 0.000 2.368 88 D HA 0.026 4.667 4.640 0.001 0.000 0.218 88 D C 1.271 176.920 176.300 -1.084 0.000 1.112 88 D CA -0.110 53.407 54.000 -0.807 0.000 0.834 88 D CB 0.458 40.584 40.800 -1.123 0.000 0.953 88 D HN 0.131 nan 8.370 nan 0.000 0.505 89 L N 0.336 121.066 121.223 -0.822 0.000 2.021 89 L HA -0.221 4.120 4.340 0.001 0.000 0.215 89 L C 1.369 177.840 176.870 -0.664 0.000 1.074 89 L CA 1.872 56.245 54.840 -0.779 0.000 0.760 89 L CB -0.583 40.914 42.059 -0.938 0.000 0.889 89 L HN -0.069 nan 8.230 nan 0.000 0.433 90 F N -2.122 117.560 119.950 -0.446 0.000 2.811 90 F HA 0.078 4.606 4.527 0.002 0.000 0.301 90 F C 1.503 176.787 175.800 -0.860 0.000 1.151 90 F CA 0.078 57.580 58.000 -0.830 0.000 1.412 90 F CB -0.969 37.054 39.000 -1.629 0.000 1.113 90 F HN 0.005 nan 8.300 nan 0.000 0.579 91 F N -1.542 118.069 119.950 -0.565 0.000 2.559 91 F HA 0.225 4.753 4.527 0.002 0.000 0.286 91 F C 0.903 176.410 175.800 -0.489 0.000 1.108 91 F CA -0.805 56.953 58.000 -0.404 0.000 1.436 91 F CB -0.672 38.062 39.000 -0.444 0.000 1.130 91 F HN -0.313 nan 8.300 nan 0.000 0.584 92 F N 0.838 120.537 119.950 -0.419 0.000 2.545 92 F HA 0.312 4.840 4.527 0.001 0.000 0.348 92 F C 0.780 176.164 175.800 -0.693 0.000 1.163 92 F CA -0.376 57.131 58.000 -0.823 0.000 1.331 92 F CB 0.159 38.104 39.000 -1.758 0.000 1.138 92 F HN -0.261 nan 8.300 nan 0.000 0.602 93 S N 2.918 118.585 115.700 -0.056 0.000 2.562 93 S HA 0.417 4.888 4.470 0.001 0.000 0.274 93 S C -1.481 173.450 174.600 0.551 0.000 1.160 93 S CA -0.856 57.521 58.200 0.295 0.000 0.933 93 S CB 0.737 64.090 63.200 0.254 0.000 1.100 93 S HN 0.687 nan 8.310 nan 0.000 0.468 94 L N 4.768 126.372 121.223 0.636 0.000 2.270 94 L HA 0.509 4.849 4.340 0.001 0.000 0.286 94 L C -0.182 176.891 176.870 0.338 0.000 1.059 94 L CA -0.355 54.710 54.840 0.375 0.000 0.839 94 L CB 0.415 42.762 42.059 0.479 0.000 1.221 94 L HN 0.710 nan 8.230 nan 0.000 0.431 95 E N 6.227 126.501 120.200 0.124 0.000 2.313 95 E HA 0.366 4.717 4.350 0.001 0.000 0.272 95 E C -2.321 174.148 176.600 -0.219 0.000 1.038 95 E CA -1.739 54.657 56.400 -0.007 0.000 0.863 95 E CB 0.924 30.636 29.700 0.020 0.000 1.060 95 E HN 0.413 nan 8.360 nan 0.000 0.402 96 P HA 0.163 nan 4.420 nan 0.000 0.274 96 P C -2.434 174.634 177.300 -0.386 0.000 1.256 96 P CA -1.292 61.133 63.100 -1.126 0.000 0.795 96 P CB -0.316 30.326 31.700 -1.763 0.000 1.038 97 P HA 0.012 nan 4.420 nan 0.000 0.270 97 P C -0.167 177.175 177.300 0.070 0.000 1.227 97 P CA 0.151 63.235 63.100 -0.027 0.000 0.788 97 P CB 0.205 31.919 31.700 0.023 0.000 0.926 98 A N 2.691 125.655 122.820 0.240 0.000 2.366 98 A HA 0.287 4.608 4.320 0.001 0.000 0.249 98 A C -1.278 176.380 177.584 0.122 0.000 1.084 98 A CA -1.103 51.035 52.037 0.168 0.000 0.794 98 A CB -1.203 17.900 19.000 0.172 0.000 1.034 98 A HN 0.367 nan 8.150 nan 0.000 0.491 99 P HA -0.173 nan 4.420 nan 0.000 0.216 99 P C 0.707 177.968 177.300 -0.065 0.000 1.150 99 P CA 1.651 64.733 63.100 -0.030 0.000 0.843 99 P CB 0.088 31.759 31.700 -0.048 0.000 0.787 100 E N -1.819 118.312 120.200 -0.115 0.000 2.267 100 E HA -0.189 4.162 4.350 0.001 0.000 0.197 100 E C 1.231 177.655 176.600 -0.293 0.000 0.998 100 E CA 1.081 57.342 56.400 -0.232 0.000 0.830 100 E CB -1.030 28.471 29.700 -0.332 0.000 0.751 100 E HN 0.466 nan 8.360 nan 0.000 0.491 101 Y N 0.140 120.422 120.300 -0.031 0.000 2.529 101 Y HA 0.178 4.729 4.550 0.001 0.000 0.290 101 Y C 1.771 177.628 175.900 -0.072 0.000 1.177 101 Y CA 0.346 58.435 58.100 -0.019 0.000 1.305 101 Y CB -0.347 38.133 38.460 0.034 0.000 1.047 101 Y HN 0.088 nan 8.280 nan 0.000 0.522 102 G N 0.892 109.672 108.800 -0.033 0.000 2.632 102 G HA2 -0.353 3.608 3.960 0.001 0.000 0.322 102 G HA3 -0.353 3.608 3.960 0.001 0.000 0.322 102 G C 0.650 175.334 174.900 -0.360 0.000 1.326 102 G CA 0.635 45.629 45.100 -0.176 0.000 0.986 102 G HN 0.308 nan 8.290 nan 0.000 0.541 103 L N 1.375 122.293 121.223 -0.508 0.000 2.728 103 L HA 0.344 4.685 4.340 0.001 0.000 0.235 103 L C 1.591 178.195 176.870 -0.443 0.000 1.197 103 L CA 0.462 54.741 54.840 -0.934 0.000 0.992 103 L CB -0.035 41.500 42.059 -0.873 0.000 1.263 103 L HN 0.515 nan 8.230 nan 0.000 0.484 104 S N -0.338 115.254 115.700 -0.180 0.000 2.580 104 S HA 0.202 4.673 4.470 0.001 0.000 0.274 104 S C 0.368 174.916 174.600 -0.086 0.000 1.329 104 S CA -0.279 57.863 58.200 -0.097 0.000 1.036 104 S CB 0.566 63.817 63.200 0.085 0.000 0.919 104 S HN 0.233 nan 8.310 nan 0.000 0.515 105 F N 2.283 122.366 119.950 0.223 0.000 2.639 105 F HA 0.413 4.941 4.527 0.001 0.000 0.300 105 F C 1.744 177.564 175.800 0.033 0.000 1.109 105 F CA -0.070 57.993 58.000 0.105 0.000 1.335 105 F CB -0.416 38.608 39.000 0.042 0.000 1.014 105 F HN 0.706 nan 8.300 nan 0.000 0.537 106 A N 0.277 123.197 122.820 0.166 0.000 2.169 106 A HA 0.450 4.771 4.320 0.001 0.000 0.212 106 A C 1.609 179.159 177.584 -0.056 0.000 1.153 106 A CA 0.388 52.492 52.037 0.111 0.000 0.756 106 A CB -0.687 18.424 19.000 0.185 0.000 0.813 106 A HN 0.177 nan 8.150 nan 0.000 0.471 107 A N 1.210 123.834 122.820 -0.325 0.000 2.567 107 A HA 0.414 4.735 4.320 0.001 0.000 0.240 107 A C -2.231 175.147 177.584 -0.343 0.000 1.053 107 A CA -0.574 50.969 52.037 -0.824 0.000 0.755 107 A CB -0.464 18.070 19.000 -0.777 0.000 0.978 107 A HN 0.285 nan 8.150 nan 0.000 0.507 108 P HA 0.145 nan 4.420 nan 0.000 0.272 108 P C 1.080 178.329 177.300 -0.085 0.000 1.230 108 P CA -0.509 62.538 63.100 -0.088 0.000 0.788 108 P CB 0.453 32.145 31.700 -0.012 0.000 0.949 109 L N 1.138 122.339 121.223 -0.036 0.000 1.997 109 L HA -0.258 4.082 4.340 0.001 0.000 0.216 109 L C 1.872 178.694 176.870 -0.080 0.000 1.074 109 L CA 1.999 56.818 54.840 -0.035 0.000 0.763 109 L CB -0.647 41.417 42.059 0.009 0.000 0.890 109 L HN 0.457 nan 8.230 nan 0.000 0.434 110 K N -0.244 120.145 120.400 -0.019 0.000 2.486 110 K HA -0.073 4.247 4.320 0.001 0.000 0.194 110 K C 0.613 177.169 176.600 -0.073 0.000 1.033 110 K CA 0.602 56.881 56.287 -0.013 0.000 1.004 110 K CB 0.099 32.753 32.500 0.257 0.000 0.798 110 K HN 0.322 nan 8.250 nan 0.000 0.495 111 E N -0.526 119.632 120.200 -0.070 0.000 2.736 111 E HA 0.152 4.503 4.350 0.001 0.000 0.208 111 E C 0.440 176.962 176.600 -0.130 0.000 0.996 111 E CA -0.142 56.227 56.400 -0.052 0.000 1.104 111 E CB 1.266 30.980 29.700 0.022 0.000 1.111 111 E HN 0.346 nan 8.360 nan 0.000 0.455 112 G N -0.377 108.339 108.800 -0.139 0.000 2.380 112 G HA2 -0.236 3.725 3.960 0.001 0.000 0.197 112 G HA3 -0.236 3.725 3.960 0.001 0.000 0.197 112 G C 1.168 176.071 174.900 0.005 0.000 1.001 112 G CA -0.191 44.868 45.100 -0.068 0.000 0.668 112 G HN 0.428 nan 8.290 nan 0.000 0.483 113 G N 0.927 109.682 108.800 -0.075 0.000 2.446 113 G HA2 0.012 3.973 3.960 0.001 0.000 0.217 113 G HA3 0.012 3.973 3.960 0.001 0.000 0.217 113 G C 1.743 176.644 174.900 0.001 0.000 1.168 113 G CA 1.637 46.716 45.100 -0.036 0.000 0.771 113 G HN 0.618 nan 8.290 nan 0.000 0.551 114 L N -0.550 120.658 121.223 -0.025 0.000 2.079 114 L HA 0.004 4.345 4.340 0.001 0.000 0.210 114 L C 2.374 179.281 176.870 0.062 0.000 1.081 114 L CA 1.352 56.188 54.840 -0.006 0.000 0.752 114 L CB -0.892 41.115 42.059 -0.087 0.000 0.896 114 L HN 0.551 nan 8.230 nan 0.000 0.433 115 W N -0.558 120.706 121.300 -0.061 0.000 2.388 115 W HA -0.182 4.479 4.660 0.001 0.000 0.294 115 W C 2.235 178.807 176.519 0.088 0.000 1.212 115 W CA 1.281 58.680 57.345 0.090 0.000 1.271 115 W CB -0.078 29.398 29.460 0.027 0.000 1.126 115 W HN 0.071 nan 8.180 nan 0.000 0.535 116 L N 0.155 121.496 121.223 0.197 0.000 2.141 116 L HA -0.200 4.141 4.340 0.001 0.000 0.209 116 L C 2.270 179.038 176.870 -0.169 0.000 1.094 116 L CA 1.125 55.946 54.840 -0.032 0.000 0.763 116 L CB -0.560 41.524 42.059 0.041 0.000 0.908 116 L HN 0.051 nan 8.230 nan 0.000 0.437 117 I N -0.611 119.879 120.570 -0.134 0.000 2.235 117 I HA -0.208 3.962 4.170 0.001 0.000 0.241 117 I C 2.792 178.776 176.117 -0.222 0.000 1.085 117 I CA 1.007 62.169 61.300 -0.230 0.000 1.378 117 I CB -0.473 37.432 38.000 -0.159 0.000 1.076 117 I HN 0.145 nan 8.210 nan 0.000 0.415 118 A N 0.399 123.187 122.820 -0.054 0.000 1.892 118 A HA -0.234 4.087 4.320 0.001 0.000 0.218 118 A C 2.477 180.116 177.584 0.091 0.000 1.188 118 A CA 2.424 54.529 52.037 0.113 0.000 0.631 118 A CB -0.883 18.069 19.000 -0.079 0.000 0.822 118 A HN 0.402 nan 8.150 nan 0.000 0.447 119 S N -1.245 114.333 115.700 -0.203 0.000 2.383 119 S HA -0.149 4.322 4.470 0.001 0.000 0.229 119 S C 1.640 176.218 174.600 -0.038 0.000 1.030 119 S CA 1.506 59.551 58.200 -0.259 0.000 1.002 119 S CB -0.498 62.212 63.200 -0.815 0.000 0.829 119 S HN 0.620 nan 8.310 nan 0.000 0.467 120 F N 1.807 121.625 119.950 -0.220 0.000 2.075 120 F HA -0.061 4.467 4.527 0.001 0.000 0.297 120 F C 1.691 177.527 175.800 0.059 0.000 1.113 120 F CA 1.079 58.987 58.000 -0.154 0.000 1.218 120 F CB -0.548 38.235 39.000 -0.360 0.000 0.984 120 F HN 0.101 nan 8.300 nan 0.000 0.472 121 F N 0.205 120.192 119.950 0.061 0.000 2.095 121 F HA -0.263 4.265 4.527 0.001 0.000 0.298 121 F C 2.702 178.471 175.800 -0.052 0.000 1.104 121 F CA 1.782 59.772 58.000 -0.017 0.000 1.232 121 F CB -1.357 37.696 39.000 0.089 0.000 0.987 121 F HN 0.080 nan 8.300 nan 0.000 0.475 122 M N -1.118 118.552 119.600 0.116 0.000 2.159 122 M HA -0.251 4.230 4.480 0.001 0.000 0.263 122 M C 2.285 178.609 176.300 0.042 0.000 1.063 122 M CA 1.730 56.912 55.300 -0.198 0.000 1.110 122 M CB -0.475 31.715 32.600 -0.683 0.000 1.374 122 M HN 0.153 nan 8.290 nan 0.000 0.411 123 F N 0.399 120.392 119.950 0.072 0.000 2.069 123 F HA -0.216 4.312 4.527 0.001 0.000 0.298 123 F C 1.880 177.788 175.800 0.180 0.000 1.113 123 F CA 2.047 60.204 58.000 0.262 0.000 1.214 123 F CB -0.595 38.426 39.000 0.035 0.000 0.978 123 F HN -0.065 nan 8.300 nan 0.000 0.474 124 V N 0.613 120.593 119.914 0.109 0.000 2.261 124 V HA -0.337 3.784 4.120 0.001 0.000 0.246 124 V C 2.752 178.883 176.094 0.062 0.000 1.047 124 V CA 1.922 64.250 62.300 0.047 0.000 1.015 124 V CB -1.647 30.138 31.823 -0.062 0.000 0.642 124 V HN 0.508 nan 8.190 nan 0.000 0.446 125 A N -0.214 122.625 122.820 0.032 0.000 1.892 125 A HA -0.217 4.104 4.320 0.001 0.000 0.218 125 A C 2.398 179.964 177.584 -0.030 0.000 1.188 125 A CA 2.565 54.612 52.037 0.017 0.000 0.631 125 A CB -0.865 18.105 19.000 -0.050 0.000 0.822 125 A HN 0.344 nan 8.150 nan 0.000 0.447 126 V N -2.407 117.344 119.914 -0.273 0.000 2.244 126 V HA -0.287 3.834 4.120 0.001 0.000 0.244 126 V C 2.284 178.216 176.094 -0.269 0.000 1.042 126 V CA 1.921 63.917 62.300 -0.506 0.000 1.006 126 V CB -1.133 29.822 31.823 -1.447 0.000 0.641 126 V HN 0.794 nan 8.190 nan 0.000 0.446 127 W N 0.853 122.015 121.300 -0.229 0.000 2.358 127 W HA -0.207 4.454 4.660 0.001 0.000 0.303 127 W C 2.998 179.589 176.519 0.119 0.000 1.208 127 W CA 1.649 58.928 57.345 -0.111 0.000 1.274 127 W CB -0.484 28.768 29.460 -0.346 0.000 1.138 127 W HN 0.374 nan 8.180 nan 0.000 0.515 128 S N -0.793 115.094 115.700 0.310 0.000 2.399 128 S HA -0.256 4.215 4.470 0.001 0.000 0.231 128 S C 1.669 176.426 174.600 0.262 0.000 1.022 128 S CA 1.020 59.378 58.200 0.263 0.000 0.983 128 S CB -1.195 62.127 63.200 0.205 0.000 0.803 128 S HN 0.503 nan 8.310 nan 0.000 0.480 129 W N 0.761 122.136 121.300 0.124 0.000 2.436 129 W HA -0.012 4.649 4.660 0.001 0.000 0.284 129 W C 1.822 178.476 176.519 0.226 0.000 1.225 129 W CA 0.676 58.089 57.345 0.112 0.000 1.271 129 W CB -0.471 29.025 29.460 0.060 0.000 1.114 129 W HN 0.525 nan 8.180 nan 0.000 0.559 130 W N 1.621 123.123 121.300 0.336 0.000 2.379 130 W HA -0.047 4.614 4.660 0.001 0.000 0.307 130 W C 2.451 179.071 176.519 0.168 0.000 1.200 130 W CA 3.275 60.813 57.345 0.321 0.000 1.297 130 W CB -0.883 28.600 29.460 0.038 0.000 1.140 130 W HN -0.128 nan 8.180 nan 0.000 0.507 131 G N 0.585 109.505 108.800 0.200 0.000 2.432 131 G HA2 -0.312 3.649 3.960 0.001 0.000 0.219 131 G HA3 -0.312 3.649 3.960 0.001 0.000 0.219 131 G C 1.626 176.377 174.900 -0.247 0.000 1.135 131 G CA 1.025 46.074 45.100 -0.085 0.000 0.767 131 G HN 0.338 nan 8.290 nan 0.000 0.550 132 R N 0.486 120.827 120.500 -0.265 0.000 2.073 132 R HA -0.132 4.209 4.340 0.001 0.000 0.234 132 R C 2.896 178.880 176.300 -0.527 0.000 1.134 132 R CA 2.272 58.116 56.100 -0.427 0.000 0.952 132 R CB -0.796 29.105 30.300 -0.666 0.000 0.850 132 R HN 0.453 nan 8.270 nan 0.000 0.433 133 T N -1.796 112.408 114.554 -0.584 0.000 2.759 133 T HA -0.241 4.110 4.350 0.001 0.000 0.269 133 T C 1.890 176.286 174.700 -0.506 0.000 1.042 133 T CA 1.415 63.202 62.100 -0.521 0.000 1.140 133 T CB -0.701 67.920 68.868 -0.412 0.000 0.864 133 T HN 0.470 nan 8.240 nan 0.000 0.455 134 Y N 1.860 121.725 120.300 -0.724 0.000 2.145 134 Y HA 0.072 4.622 4.550 0.001 0.000 0.286 134 Y C 2.247 177.861 175.900 -0.477 0.000 1.145 134 Y CA 1.288 58.971 58.100 -0.696 0.000 1.148 134 Y CB -0.344 37.579 38.460 -0.895 0.000 0.981 134 Y HN 0.152 nan 8.280 nan 0.000 0.507 135 L N -0.629 120.450 121.223 -0.240 0.000 2.056 135 L HA -0.218 4.123 4.340 0.001 0.000 0.207 135 L C 2.505 179.156 176.870 -0.365 0.000 1.078 135 L CA 1.145 55.845 54.840 -0.233 0.000 0.749 135 L CB -0.504 41.453 42.059 -0.170 0.000 0.901 135 L HN 0.067 nan 8.230 nan 0.000 0.433 136 R N 0.332 120.570 120.500 -0.436 0.000 2.105 136 R HA -0.112 4.229 4.340 0.001 0.000 0.239 136 R C 2.270 178.330 176.300 -0.400 0.000 1.135 136 R CA 1.450 57.265 56.100 -0.476 0.000 0.967 136 R CB -1.084 28.928 30.300 -0.481 0.000 0.861 136 R HN 0.386 nan 8.270 nan 0.000 0.442 137 A N 0.027 122.592 122.820 -0.424 0.000 1.872 137 A HA -0.180 4.141 4.320 0.001 0.000 0.214 137 A C 2.114 179.467 177.584 -0.384 0.000 1.187 137 A CA 1.378 53.173 52.037 -0.402 0.000 0.614 137 A CB -0.508 18.200 19.000 -0.487 0.000 0.826 137 A HN 0.412 nan 8.150 nan 0.000 0.442 138 Q N -0.428 119.099 119.800 -0.454 0.000 2.096 138 Q HA -0.164 4.177 4.340 0.001 0.000 0.204 138 Q C 2.168 178.026 176.000 -0.237 0.000 0.982 138 Q CA 1.706 57.297 55.803 -0.354 0.000 0.850 138 Q CB -0.354 28.185 28.738 -0.331 0.000 0.901 138 Q HN 0.596 nan 8.270 nan 0.000 0.422 139 A N 0.552 123.226 122.820 -0.243 0.000 1.940 139 A HA -0.126 4.195 4.320 0.001 0.000 0.219 139 A C 1.780 179.264 177.584 -0.168 0.000 1.176 139 A CA 1.138 53.059 52.037 -0.194 0.000 0.631 139 A CB -0.433 18.420 19.000 -0.245 0.000 0.814 139 A HN 0.453 nan 8.150 nan 0.000 0.446 140 L N -0.834 120.273 121.223 -0.193 0.000 2.629 140 L HA 0.242 4.583 4.340 0.001 0.000 0.230 140 L C 1.471 178.256 176.870 -0.141 0.000 1.151 140 L CA 0.311 55.058 54.840 -0.155 0.000 0.924 140 L CB -0.322 41.638 42.059 -0.166 0.000 1.137 140 L HN 0.525 nan 8.230 nan 0.000 0.457 141 G N 0.599 109.308 108.800 -0.150 0.000 2.283 141 G HA2 -0.319 3.642 3.960 0.001 0.000 0.280 141 G HA3 -0.319 3.642 3.960 0.001 0.000 0.280 141 G C 0.229 175.047 174.900 -0.137 0.000 1.029 141 G CA 0.410 45.431 45.100 -0.131 0.000 0.840 141 G HN 0.324 nan 8.290 nan 0.000 0.505 142 M N -0.211 119.282 119.600 -0.178 0.000 2.369 142 M HA 0.562 5.043 4.480 0.001 0.000 0.291 142 M C 1.389 177.584 176.300 -0.174 0.000 1.178 142 M CA -0.035 55.165 55.300 -0.167 0.000 0.996 142 M CB 0.842 33.331 32.600 -0.184 0.000 1.472 142 M HN 0.201 nan 8.290 nan 0.000 0.496 143 G N 0.366 109.109 108.800 -0.095 0.000 2.634 143 G HA2 0.178 4.139 3.960 0.001 0.000 0.255 143 G HA3 0.178 4.139 3.960 0.001 0.000 0.255 143 G C 0.136 174.954 174.900 -0.136 0.000 1.205 143 G CA -0.536 44.566 45.100 0.004 0.000 0.884 143 G HN 0.599 nan 8.290 nan 0.000 0.549 144 K N -0.053 120.166 120.400 -0.302 0.000 2.500 144 K HA 0.111 4.432 4.320 0.001 0.000 0.206 144 K C 1.318 177.539 176.600 -0.632 0.000 1.034 144 K CA -0.166 55.726 56.287 -0.658 0.000 1.179 144 K CB -0.030 31.859 32.500 -1.018 0.000 0.884 144 K HN 0.591 nan 8.250 nan 0.000 0.493 145 H N 0.336 119.222 119.070 -0.308 0.000 2.390 145 H HA -0.094 4.463 4.556 0.001 0.000 0.298 145 H C 1.705 176.963 175.328 -0.116 0.000 1.106 145 H CA 2.030 57.998 56.048 -0.133 0.000 1.297 145 H CB -0.235 29.475 29.762 -0.087 0.000 1.375 145 H HN 0.082 nan 8.280 nan 0.000 0.509 146 T N 0.135 114.657 114.554 -0.053 0.000 2.777 146 T HA -0.109 4.241 4.350 0.001 0.000 0.266 146 T C 2.377 177.068 174.700 -0.014 0.000 1.040 146 T CA 1.141 63.204 62.100 -0.062 0.000 1.141 146 T CB -0.484 68.298 68.868 -0.143 0.000 0.868 146 T HN 0.518 nan 8.240 nan 0.000 0.444 147 A N 0.725 123.435 122.820 -0.182 0.000 1.883 147 A HA -0.118 4.203 4.320 0.001 0.000 0.217 147 A C 2.169 180.011 177.584 0.430 0.000 1.186 147 A CA 1.434 53.394 52.037 -0.129 0.000 0.624 147 A CB -1.208 17.455 19.000 -0.561 0.000 0.822 147 A HN 0.732 nan 8.150 nan 0.000 0.444 148 W N -0.612 120.828 121.300 0.233 0.000 2.353 148 W HA -0.090 4.571 4.660 0.002 0.000 0.319 148 W C 2.853 179.440 176.519 0.113 0.000 1.207 148 W CA 0.554 58.004 57.345 0.175 0.000 1.291 148 W CB -0.283 29.178 29.460 0.003 0.000 1.159 148 W HN 0.415 nan 8.180 nan 0.000 0.478 149 A N 0.162 123.156 122.820 0.290 0.000 1.986 149 A HA -0.285 4.036 4.320 0.001 0.000 0.220 149 A C 1.731 179.478 177.584 0.271 0.000 1.171 149 A CA 1.646 53.769 52.037 0.143 0.000 0.640 149 A CB -1.166 17.866 19.000 0.053 0.000 0.811 149 A HN 0.387 nan 8.150 nan 0.000 0.451 150 F N 0.412 120.465 119.950 0.172 0.000 2.234 150 F HA -0.040 4.488 4.527 0.001 0.000 0.299 150 F C 1.811 177.735 175.800 0.207 0.000 1.087 150 F CA 0.785 58.896 58.000 0.185 0.000 1.340 150 F CB -0.517 38.622 39.000 0.230 0.000 1.031 150 F HN 0.154 nan 8.300 nan 0.000 0.500 151 L N -0.976 120.409 121.223 0.270 0.000 2.131 151 L HA -0.214 4.126 4.340 0.001 0.000 0.210 151 L C 2.713 179.627 176.870 0.072 0.000 1.092 151 L CA 1.415 56.271 54.840 0.026 0.000 0.759 151 L CB -0.886 41.250 42.059 0.129 0.000 0.903 151 L HN 0.163 nan 8.230 nan 0.000 0.435 152 S N -0.263 115.514 115.700 0.128 0.000 2.368 152 S HA -0.195 4.276 4.470 0.001 0.000 0.225 152 S C 2.086 176.811 174.600 0.209 0.000 1.030 152 S CA 1.361 59.655 58.200 0.157 0.000 0.999 152 S CB -0.001 63.252 63.200 0.089 0.000 0.844 152 S HN 0.470 nan 8.310 nan 0.000 0.459 153 A N 1.206 124.119 122.820 0.156 0.000 1.897 153 A HA 0.130 4.451 4.320 0.001 0.000 0.215 153 A C 2.105 179.735 177.584 0.078 0.000 1.181 153 A CA 1.140 53.258 52.037 0.136 0.000 0.620 153 A CB -0.682 18.427 19.000 0.181 0.000 0.821 153 A HN 0.603 nan 8.150 nan 0.000 0.443 154 I N -1.131 119.384 120.570 -0.092 0.000 2.335 154 I HA -0.280 3.891 4.170 0.001 0.000 0.251 154 I C 2.478 178.683 176.117 0.145 0.000 1.129 154 I CA 1.292 62.486 61.300 -0.177 0.000 1.402 154 I CB -0.306 37.262 38.000 -0.721 0.000 1.069 154 I HN 0.773 nan 8.210 nan 0.000 0.424 155 W N 1.774 123.063 121.300 -0.018 0.000 2.353 155 W HA -0.246 4.415 4.660 0.002 0.000 0.319 155 W C 2.297 178.856 176.519 0.067 0.000 1.207 155 W CA 1.200 58.565 57.345 0.033 0.000 1.291 155 W CB -0.464 29.003 29.460 0.012 0.000 1.159 155 W HN 0.077 nan 8.180 nan 0.000 0.478 156 L N 0.475 121.636 121.223 -0.103 0.000 2.013 156 L HA -0.256 4.085 4.340 0.001 0.000 0.212 156 L C 2.506 179.301 176.870 -0.125 0.000 1.073 156 L CA 2.696 57.394 54.840 -0.237 0.000 0.753 156 L CB -1.205 40.842 42.059 -0.021 0.000 0.890 156 L HN 0.252 nan 8.230 nan 0.000 0.432 157 W N 0.503 121.704 121.300 -0.165 0.000 2.318 157 W HA -0.305 4.356 4.660 0.001 0.000 0.313 157 W C 2.484 178.947 176.519 -0.094 0.000 1.221 157 W CA 1.767 59.029 57.345 -0.139 0.000 1.266 157 W CB -0.291 29.053 29.460 -0.193 0.000 1.150 157 W HN 0.083 nan 8.180 nan 0.000 0.496 158 M N -0.114 119.352 119.600 -0.223 0.000 2.086 158 M HA -0.180 4.301 4.480 0.001 0.000 0.261 158 M C 1.984 178.181 176.300 -0.172 0.000 1.067 158 M CA 1.574 56.704 55.300 -0.284 0.000 1.116 158 M CB -1.727 30.903 32.600 0.050 0.000 1.348 158 M HN -0.038 nan 8.290 nan 0.000 0.407 159 V N 0.989 120.707 119.914 -0.325 0.000 2.219 159 V HA -0.313 3.807 4.120 0.001 0.000 0.248 159 V C 2.600 178.605 176.094 -0.149 0.000 1.053 159 V CA 1.826 63.920 62.300 -0.342 0.000 1.009 159 V CB -0.862 30.574 31.823 -0.644 0.000 0.636 159 V HN 0.404 nan 8.190 nan 0.000 0.445 160 L N 0.193 121.319 121.223 -0.161 0.000 1.978 160 L HA -0.199 4.142 4.340 0.001 0.000 0.218 160 L C 2.265 179.117 176.870 -0.031 0.000 1.075 160 L CA 2.160 56.954 54.840 -0.078 0.000 0.767 160 L CB -0.917 41.060 42.059 -0.137 0.000 0.890 160 L HN 0.532 nan 8.230 nan 0.000 0.434 161 G N -3.313 105.435 108.800 -0.086 0.000 3.126 161 G HA2 0.034 3.995 3.960 0.001 0.000 0.224 161 G HA3 0.034 3.995 3.960 0.001 0.000 0.224 161 G C 0.727 175.804 174.900 0.296 0.000 1.142 161 G CA -0.126 45.028 45.100 0.089 0.000 0.759 161 G HN 0.291 nan 8.290 nan 0.000 0.550 162 F N -0.378 119.590 119.950 0.030 0.000 1.965 162 F HA 0.332 4.859 4.527 0.001 0.000 0.237 162 F C 2.116 177.998 175.800 0.137 0.000 1.132 162 F CA -0.010 58.094 58.000 0.174 0.000 1.272 162 F CB -0.023 39.025 39.000 0.080 0.000 1.657 162 F HN -0.045 nan 8.300 nan 0.000 0.525 163 I N 1.274 121.961 120.570 0.195 0.000 2.069 163 I HA -0.317 3.854 4.170 0.001 0.000 0.237 163 I C 2.563 178.648 176.117 -0.053 0.000 1.053 163 I CA 2.040 63.366 61.300 0.043 0.000 1.311 163 I CB -0.744 37.315 38.000 0.099 0.000 1.030 163 I HN 0.208 nan 8.210 nan 0.000 0.398 164 R N 0.991 121.479 120.500 -0.019 0.000 2.103 164 R HA -0.176 4.165 4.340 0.001 0.000 0.242 164 R C -0.394 175.898 176.300 -0.014 0.000 1.142 164 R CA 2.059 58.162 56.100 0.006 0.000 0.960 164 R CB -1.168 29.174 30.300 0.071 0.000 0.858 164 R HN 0.242 nan 8.270 nan 0.000 0.439 165 P HA -0.124 nan 4.420 nan 0.000 0.216 165 P C 1.147 178.277 177.300 -0.284 0.000 1.153 165 P CA 1.302 64.362 63.100 -0.066 0.000 0.848 165 P CB -0.015 31.737 31.700 0.087 0.000 0.787 166 I N -1.280 119.061 120.570 -0.381 0.000 2.179 166 I HA -0.235 3.936 4.170 0.001 0.000 0.242 166 I C 2.184 178.122 176.117 -0.298 0.000 1.088 166 I CA 1.438 62.445 61.300 -0.488 0.000 1.357 166 I CB -0.562 37.130 38.000 -0.515 0.000 1.051 166 I HN -0.091 nan 8.210 nan 0.000 0.409 167 L N -0.511 120.601 121.223 -0.186 0.000 2.141 167 L HA -0.173 4.168 4.340 0.001 0.000 0.209 167 L C 2.403 179.206 176.870 -0.111 0.000 1.094 167 L CA 0.811 55.583 54.840 -0.114 0.000 0.763 167 L CB -0.375 41.653 42.059 -0.053 0.000 0.908 167 L HN 0.310 nan 8.230 nan 0.000 0.437 168 M N -0.734 118.796 119.600 -0.116 0.000 2.562 168 M HA 0.098 4.579 4.480 0.001 0.000 0.257 168 M C 1.604 177.813 176.300 -0.151 0.000 1.099 168 M CA 1.020 56.260 55.300 -0.100 0.000 1.099 168 M CB -0.787 31.779 32.600 -0.056 0.000 1.427 168 M HN 0.417 nan 8.290 nan 0.000 0.489 169 G N 1.527 110.191 108.800 -0.226 0.000 2.141 169 G HA2 -0.210 3.751 3.960 0.001 0.000 0.242 169 G HA3 -0.210 3.751 3.960 0.001 0.000 0.242 169 G C 0.156 174.852 174.900 -0.340 0.000 0.982 169 G CA 0.496 45.434 45.100 -0.271 0.000 0.662 169 G HN 0.710 nan 8.290 nan 0.000 0.527 170 S N -2.289 113.182 115.700 -0.382 0.000 2.543 170 S HA 0.505 4.976 4.470 0.001 0.000 0.274 170 S C 0.264 174.663 174.600 -0.335 0.000 1.149 170 S CA -0.081 57.884 58.200 -0.391 0.000 0.866 170 S CB 0.354 63.439 63.200 -0.191 0.000 1.111 170 S HN 0.482 nan 8.310 nan 0.000 0.457 171 W N 1.613 122.835 121.300 -0.129 0.000 2.595 171 W HA 0.016 4.677 4.660 0.001 0.000 0.257 171 W C 2.647 178.981 176.519 -0.308 0.000 1.267 171 W CA 0.569 57.798 57.345 -0.193 0.000 1.300 171 W CB -0.132 29.223 29.460 -0.175 0.000 1.120 171 W HN 0.940 nan 8.180 nan 0.000 0.618 172 S N 0.274 115.962 115.700 -0.020 0.000 2.462 172 S HA -0.226 4.245 4.470 0.001 0.000 0.243 172 S C 1.483 176.081 174.600 -0.004 0.000 1.003 172 S CA 1.380 59.545 58.200 -0.059 0.000 0.970 172 S CB -0.294 62.895 63.200 -0.019 0.000 0.762 172 S HN 0.270 nan 8.310 nan 0.000 0.510 173 E N 1.717 121.942 120.200 0.041 0.000 2.216 173 E HA 0.274 4.625 4.350 0.001 0.000 0.192 173 E C 1.279 178.070 176.600 0.319 0.000 0.988 173 E CA 0.635 57.143 56.400 0.179 0.000 0.834 173 E CB -0.511 29.267 29.700 0.129 0.000 0.772 173 E HN 0.730 nan 8.360 nan 0.000 0.479 174 A N 1.296 124.183 122.820 0.112 0.000 2.409 174 A HA 0.184 4.504 4.320 0.001 0.000 0.246 174 A C 0.487 177.936 177.584 -0.225 0.000 1.099 174 A CA -0.293 51.768 52.037 0.040 0.000 0.789 174 A CB 0.375 19.460 19.000 0.141 0.000 1.053 174 A HN -0.037 nan 8.150 nan 0.000 0.503 175 V N 2.537 122.155 119.914 -0.494 0.000 2.583 175 V HA 0.307 4.428 4.120 0.001 0.000 0.287 175 V C -1.822 174.054 176.094 -0.363 0.000 1.051 175 V CA -1.095 60.672 62.300 -0.888 0.000 1.010 175 V CB 0.848 32.117 31.823 -0.922 0.000 0.988 175 V HN 0.858 nan 8.190 nan 0.000 0.478 176 P HA 0.202 nan 4.420 nan 0.000 0.278 176 P C -1.396 175.919 177.300 0.025 0.000 1.238 176 P CA -0.402 62.678 63.100 -0.034 0.000 0.794 176 P CB 0.540 32.301 31.700 0.102 0.000 0.955 177 Y N 1.088 121.642 120.300 0.423 0.000 2.556 177 Y HA 0.554 5.105 4.550 0.001 0.000 0.352 177 Y C 1.375 177.514 175.900 0.400 0.000 1.006 177 Y CA 0.532 58.844 58.100 0.355 0.000 1.277 177 Y CB 0.233 38.874 38.460 0.302 0.000 1.136 177 Y HN 0.561 nan 8.280 nan 0.000 0.523 178 G N 2.440 111.506 108.800 0.443 0.000 2.633 178 G HA2 0.309 4.270 3.960 0.001 0.000 0.299 178 G HA3 0.309 4.270 3.960 0.001 0.000 0.299 178 G C -0.110 174.995 174.900 0.342 0.000 1.501 178 G CA -0.767 44.597 45.100 0.440 0.000 0.887 178 G HN 0.251 nan 8.290 nan 0.000 0.561 179 I N 1.153 121.887 120.570 0.272 0.000 2.045 179 I HA -0.042 4.129 4.170 0.001 0.000 0.233 179 I C 2.572 178.958 176.117 0.448 0.000 1.048 179 I CA 1.433 62.883 61.300 0.249 0.000 1.313 179 I CB -0.974 37.050 38.000 0.039 0.000 1.043 179 I HN 0.482 nan 8.210 nan 0.000 0.393 180 F N 1.650 121.678 119.950 0.130 0.000 2.234 180 F HA -0.129 4.399 4.527 0.001 0.000 0.299 180 F C 2.991 178.852 175.800 0.101 0.000 1.087 180 F CA 1.121 59.136 58.000 0.024 0.000 1.340 180 F CB -1.667 37.216 39.000 -0.194 0.000 1.031 180 F HN 0.214 nan 8.300 nan 0.000 0.500 181 S N 0.131 116.042 115.700 0.352 0.000 2.382 181 S HA -0.251 4.220 4.470 0.001 0.000 0.228 181 S C 2.088 176.897 174.600 0.350 0.000 1.027 181 S CA 1.581 59.962 58.200 0.302 0.000 0.991 181 S CB -1.188 62.178 63.200 0.276 0.000 0.823 181 S HN 0.643 nan 8.310 nan 0.000 0.469 182 H N 1.655 120.872 119.070 0.245 0.000 2.529 182 H HA 0.214 4.771 4.556 0.001 0.000 0.277 182 H C 1.849 177.350 175.328 0.289 0.000 0.999 182 H CA 0.907 57.098 56.048 0.240 0.000 1.256 182 H CB -0.518 29.343 29.762 0.165 0.000 1.402 182 H HN 0.439 nan 8.280 nan 0.000 0.566 183 L N 0.599 121.763 121.223 -0.099 0.000 2.095 183 L HA -0.104 4.237 4.340 0.001 0.000 0.204 183 L C 2.194 179.082 176.870 0.029 0.000 1.080 183 L CA 1.147 55.898 54.840 -0.148 0.000 0.759 183 L CB -0.260 41.761 42.059 -0.063 0.000 0.914 183 L HN 0.124 nan 8.230 nan 0.000 0.439 184 D N -0.519 119.941 120.400 0.099 0.000 2.123 184 D HA -0.252 4.389 4.640 0.001 0.000 0.196 184 D C 1.734 178.126 176.300 0.153 0.000 0.992 184 D CA 1.194 55.254 54.000 0.099 0.000 0.833 184 D CB -0.286 40.584 40.800 0.117 0.000 0.954 184 D HN 0.414 nan 8.370 nan 0.000 0.455 185 W N 1.828 123.161 121.300 0.056 0.000 2.338 185 W HA -0.226 4.435 4.660 0.001 0.000 0.304 185 W C 2.195 178.779 176.519 0.108 0.000 1.212 185 W CA 2.254 59.656 57.345 0.094 0.000 1.264 185 W CB -0.353 29.180 29.460 0.122 0.000 1.142 185 W HN -0.142 nan 8.180 nan 0.000 0.512 186 T N 0.291 115.060 114.554 0.358 0.000 2.708 186 T HA -0.298 4.053 4.350 0.001 0.000 0.266 186 T C 1.425 176.112 174.700 -0.021 0.000 1.037 186 T CA 1.800 64.000 62.100 0.167 0.000 1.146 186 T CB -0.768 68.180 68.868 0.134 0.000 0.865 186 T HN 0.275 nan 8.240 nan 0.000 0.435 187 N N 1.458 120.148 118.700 -0.017 0.000 2.120 187 N HA -0.117 4.624 4.740 0.001 0.000 0.188 187 N C 1.713 177.183 175.510 -0.066 0.000 1.024 187 N CA 1.586 54.605 53.050 -0.050 0.000 0.852 187 N CB -0.481 37.983 38.487 -0.039 0.000 1.003 187 N HN 0.307 nan 8.380 nan 0.000 0.424 188 N N -0.886 117.763 118.700 -0.085 0.000 2.084 188 N HA -0.148 4.593 4.740 0.001 0.000 0.190 188 N C 1.499 176.914 175.510 -0.159 0.000 1.030 188 N CA 1.089 54.063 53.050 -0.126 0.000 0.849 188 N CB -0.487 37.910 38.487 -0.150 0.000 1.012 188 N HN 0.276 nan 8.380 nan 0.000 0.423 189 F N 0.725 120.413 119.950 -0.438 0.000 2.091 189 F HA -0.216 4.312 4.527 0.001 0.000 0.299 189 F C 2.748 178.484 175.800 -0.106 0.000 1.103 189 F CA 1.788 59.550 58.000 -0.397 0.000 1.228 189 F CB -0.999 37.550 39.000 -0.751 0.000 0.984 189 F HN 0.063 nan 8.300 nan 0.000 0.477 190 S N -0.028 115.750 115.700 0.131 0.000 2.343 190 S HA -0.171 4.300 4.470 0.001 0.000 0.219 190 S C 2.052 176.668 174.600 0.026 0.000 1.033 190 S CA 1.447 59.678 58.200 0.052 0.000 1.014 190 S CB -0.627 62.497 63.200 -0.128 0.000 0.915 190 S HN 0.252 nan 8.310 nan 0.000 0.435 191 L N 1.716 122.920 121.223 -0.032 0.000 2.013 191 L HA -0.074 4.267 4.340 0.001 0.000 0.212 191 L C 2.522 179.352 176.870 -0.067 0.000 1.073 191 L CA 1.504 56.319 54.840 -0.043 0.000 0.753 191 L CB -1.445 40.578 42.059 -0.059 0.000 0.890 191 L HN 0.242 nan 8.230 nan 0.000 0.432 192 V N -1.481 118.354 119.914 -0.132 0.000 2.626 192 V HA -0.215 3.905 4.120 0.001 0.000 0.252 192 V C 1.293 177.144 176.094 -0.405 0.000 1.067 192 V CA 1.242 63.376 62.300 -0.277 0.000 1.081 192 V CB -0.859 30.729 31.823 -0.393 0.000 0.686 192 V HN 0.524 nan 8.190 nan 0.000 0.468 193 H N -0.198 118.780 119.070 -0.152 0.000 2.488 193 H HA 0.487 5.044 4.556 0.001 0.000 0.294 193 H C 1.341 176.734 175.328 0.108 0.000 1.088 193 H CA 0.245 56.254 56.048 -0.065 0.000 1.086 193 H CB 0.007 29.766 29.762 -0.005 0.000 1.569 193 H HN 0.369 nan 8.280 nan 0.000 0.548 194 G N 1.938 110.829 108.800 0.151 0.000 2.353 194 G HA2 -0.357 3.604 3.960 0.001 0.000 0.294 194 G HA3 -0.357 3.604 3.960 0.001 0.000 0.294 194 G C -0.288 174.839 174.900 0.378 0.000 1.077 194 G CA 0.279 45.522 45.100 0.238 0.000 1.098 194 G HN 0.850 nan 8.290 nan 0.000 0.511 195 N N -1.966 116.874 118.700 0.233 0.000 2.497 195 N HA -0.181 4.560 4.740 0.001 0.000 0.289 195 N C 1.080 176.658 175.510 0.115 0.000 1.565 195 N CA 0.301 53.432 53.050 0.136 0.000 0.887 195 N CB -0.256 38.371 38.487 0.234 0.000 0.952 195 N HN 0.636 nan 8.380 nan 0.000 0.465 196 L N 4.423 125.552 121.223 -0.157 0.000 2.549 196 L HA 0.038 4.379 4.340 0.001 0.000 0.230 196 L C 1.302 177.924 176.870 -0.414 0.000 1.162 196 L CA 1.400 56.045 54.840 -0.326 0.000 0.834 196 L CB -0.367 41.333 42.059 -0.599 0.000 0.947 196 L HN 0.640 nan 8.230 nan 0.000 0.452 197 F N -1.990 117.785 119.950 -0.291 0.000 2.451 197 F HA -0.146 4.382 4.527 0.001 0.000 0.299 197 F C 1.565 177.215 175.800 -0.249 0.000 1.101 197 F CA 0.682 58.522 58.000 -0.267 0.000 1.436 197 F CB -0.784 37.996 39.000 -0.367 0.000 1.074 197 F HN 0.141 nan 8.300 nan 0.000 0.553 198 Y N -1.376 119.104 120.300 0.301 0.000 2.466 198 Y HA 0.099 4.650 4.550 0.001 0.000 0.272 198 Y C 1.058 177.116 175.900 0.263 0.000 1.169 198 Y CA -0.526 57.787 58.100 0.354 0.000 1.285 198 Y CB -0.634 38.126 38.460 0.500 0.000 1.078 198 Y HN -0.156 nan 8.280 nan 0.000 0.523 199 N N 3.059 121.734 118.700 -0.041 0.000 2.402 199 N HA 0.031 4.772 4.740 0.001 0.000 0.252 199 N C -1.722 173.561 175.510 -0.379 0.000 1.118 199 N CA -1.841 50.708 53.050 -0.835 0.000 0.945 199 N CB 1.144 38.744 38.487 -1.478 0.000 1.147 199 N HN 0.040 nan 8.380 nan 0.000 0.495 200 P HA -0.183 nan 4.420 nan 0.000 0.216 200 P C 1.191 178.327 177.300 -0.272 0.000 1.157 200 P CA 1.398 64.365 63.100 -0.221 0.000 0.880 200 P CB -0.026 31.511 31.700 -0.272 0.000 0.791 201 F N -0.797 119.020 119.950 -0.221 0.000 2.269 201 F HA -0.145 4.382 4.527 0.001 0.000 0.301 201 F C 2.881 178.633 175.800 -0.080 0.000 1.082 201 F CA 1.226 59.159 58.000 -0.112 0.000 1.360 201 F CB -1.360 37.566 39.000 -0.124 0.000 1.041 201 F HN 0.124 nan 8.300 nan 0.000 0.512 202 H N -0.171 118.846 119.070 -0.088 0.000 2.363 202 H HA -0.052 4.505 4.556 0.001 0.000 0.301 202 H C 2.412 177.716 175.328 -0.039 0.000 1.074 202 H CA 1.402 57.401 56.048 -0.083 0.000 1.354 202 H CB -0.486 29.175 29.762 -0.169 0.000 1.397 202 H HN 0.307 nan 8.280 nan 0.000 0.516 203 G N 1.122 109.934 108.800 0.021 0.000 2.450 203 G HA2 -0.203 3.758 3.960 0.001 0.000 0.220 203 G HA3 -0.203 3.758 3.960 0.001 0.000 0.220 203 G C 1.990 176.814 174.900 -0.127 0.000 1.130 203 G CA 0.729 45.811 45.100 -0.030 0.000 0.760 203 G HN 0.340 nan 8.290 nan 0.000 0.557 204 L N 0.199 121.369 121.223 -0.089 0.000 2.023 204 L HA -0.027 4.314 4.340 0.001 0.000 0.205 204 L C 3.080 179.921 176.870 -0.048 0.000 1.073 204 L CA 1.190 55.972 54.840 -0.097 0.000 0.745 204 L CB -0.585 41.543 42.059 0.115 0.000 0.900 204 L HN 0.313 nan 8.230 nan 0.000 0.435 205 S N 0.226 115.972 115.700 0.077 0.000 2.392 205 S HA -0.230 4.241 4.470 0.001 0.000 0.232 205 S C 1.955 176.500 174.600 -0.092 0.000 1.041 205 S CA 1.534 59.791 58.200 0.096 0.000 1.026 205 S CB -0.326 62.865 63.200 -0.015 0.000 0.845 205 S HN 0.299 nan 8.310 nan 0.000 0.465 206 I N 1.143 121.527 120.570 -0.309 0.000 2.315 206 I HA -0.128 4.043 4.170 0.001 0.000 0.248 206 I C 2.741 178.560 176.117 -0.497 0.000 1.117 206 I CA 0.984 61.976 61.300 -0.513 0.000 1.404 206 I CB -0.555 37.110 38.000 -0.559 0.000 1.071 206 I HN 0.375 nan 8.210 nan 0.000 0.419 207 A N 0.834 123.441 122.820 -0.356 0.000 1.933 207 A HA -0.190 4.131 4.320 0.001 0.000 0.218 207 A C 1.954 179.366 177.584 -0.287 0.000 1.175 207 A CA 1.614 53.449 52.037 -0.338 0.000 0.628 207 A CB -0.775 17.914 19.000 -0.519 0.000 0.814 207 A HN 0.351 nan 8.150 nan 0.000 0.444 208 F N -1.194 118.757 119.950 0.003 0.000 2.416 208 F HA 0.075 4.603 4.527 0.001 0.000 0.296 208 F C 1.879 177.709 175.800 0.050 0.000 1.099 208 F CA 0.639 58.672 58.000 0.056 0.000 1.427 208 F CB -0.436 38.610 39.000 0.076 0.000 1.079 208 F HN 0.238 nan 8.300 nan 0.000 0.536 209 L N -1.093 120.205 121.223 0.125 0.000 2.044 209 L HA -0.153 4.188 4.340 0.001 0.000 0.205 209 L C 2.161 179.141 176.870 0.183 0.000 1.075 209 L CA 1.860 56.758 54.840 0.097 0.000 0.747 209 L CB -0.966 41.077 42.059 -0.027 0.000 0.903 209 L HN 0.013 nan 8.230 nan 0.000 0.435 210 Y N 0.258 120.599 120.300 0.068 0.000 2.163 210 Y HA -0.009 4.542 4.550 0.001 0.000 0.288 210 Y C 2.594 178.535 175.900 0.069 0.000 1.136 210 Y CA 0.819 58.950 58.100 0.053 0.000 1.147 210 Y CB -1.576 36.895 38.460 0.017 0.000 0.987 210 Y HN 0.243 nan 8.280 nan 0.000 0.509 211 G N -1.233 107.713 108.800 0.243 0.000 2.462 211 G HA2 -0.226 3.735 3.960 0.001 0.000 0.220 211 G HA3 -0.226 3.735 3.960 0.001 0.000 0.220 211 G C 1.878 176.890 174.900 0.188 0.000 1.121 211 G CA 1.317 46.530 45.100 0.189 0.000 0.758 211 G HN 0.396 nan 8.290 nan 0.000 0.559 212 S N 0.605 116.430 115.700 0.208 0.000 2.414 212 S HA 0.146 4.617 4.470 0.001 0.000 0.227 212 S C 2.631 177.355 174.600 0.207 0.000 1.022 212 S CA 0.839 59.148 58.200 0.181 0.000 0.958 212 S CB -0.098 63.204 63.200 0.170 0.000 0.797 212 S HN 0.549 nan 8.310 nan 0.000 0.493 213 A N 0.827 123.770 122.820 0.205 0.000 2.119 213 A HA 0.178 4.499 4.320 0.001 0.000 0.216 213 A C 1.954 179.629 177.584 0.151 0.000 1.152 213 A CA 0.561 52.712 52.037 0.190 0.000 0.708 213 A CB -0.308 18.792 19.000 0.168 0.000 0.805 213 A HN 0.414 nan 8.150 nan 0.000 0.460 214 L N -1.109 120.195 121.223 0.134 0.000 2.102 214 L HA 0.115 4.456 4.340 0.001 0.000 0.202 214 L C 2.060 178.967 176.870 0.061 0.000 1.076 214 L CA 1.666 56.557 54.840 0.084 0.000 0.761 214 L CB -0.649 41.451 42.059 0.068 0.000 0.921 214 L HN 0.246 nan 8.230 nan 0.000 0.444 215 L N -1.282 119.980 121.223 0.066 0.000 2.056 215 L HA -0.115 4.226 4.340 0.001 0.000 0.207 215 L C 2.270 179.231 176.870 0.151 0.000 1.078 215 L CA 1.704 56.552 54.840 0.014 0.000 0.749 215 L CB -0.920 41.139 42.059 -0.000 0.000 0.901 215 L HN 0.293 nan 8.230 nan 0.000 0.433 216 F N 0.066 120.037 119.950 0.035 0.000 2.325 216 F HA 0.036 4.564 4.527 0.002 0.000 0.299 216 F C 2.315 178.143 175.800 0.048 0.000 1.090 216 F CA 0.597 58.637 58.000 0.065 0.000 1.392 216 F CB -0.880 38.163 39.000 0.073 0.000 1.053 216 F HN 0.207 nan 8.300 nan 0.000 0.521 217 A N -0.191 122.744 122.820 0.191 0.000 1.897 217 A HA -0.156 4.165 4.320 0.001 0.000 0.215 217 A C 2.313 179.947 177.584 0.083 0.000 1.181 217 A CA 1.382 53.462 52.037 0.071 0.000 0.620 217 A CB -0.554 18.488 19.000 0.069 0.000 0.821 217 A HN 0.335 nan 8.150 nan 0.000 0.443 218 M N -1.728 117.930 119.600 0.097 0.000 2.066 218 M HA -0.163 4.318 4.480 0.001 0.000 0.259 218 M C 2.309 178.684 176.300 0.125 0.000 1.074 218 M CA 2.160 57.518 55.300 0.096 0.000 1.114 218 M CB -0.578 31.885 32.600 -0.228 0.000 1.306 218 M HN 0.667 nan 8.290 nan 0.000 0.411 219 H N -0.036 119.035 119.070 0.002 0.000 2.422 219 H HA -0.064 4.493 4.556 0.002 0.000 0.298 219 H C 1.842 177.219 175.328 0.082 0.000 1.098 219 H CA 1.937 58.005 56.048 0.032 0.000 1.315 219 H CB -0.555 29.224 29.762 0.027 0.000 1.382 219 H HN 0.370 nan 8.280 nan 0.000 0.523 220 G N -0.094 108.703 108.800 -0.006 0.000 2.453 220 G HA2 -0.270 3.691 3.960 0.001 0.000 0.215 220 G HA3 -0.270 3.691 3.960 0.001 0.000 0.215 220 G C 1.949 176.732 174.900 -0.195 0.000 1.201 220 G CA 1.158 46.146 45.100 -0.187 0.000 0.784 220 G HN 0.595 nan 8.290 nan 0.000 0.545 221 A N 0.038 122.787 122.820 -0.118 0.000 1.902 221 A HA -0.008 4.313 4.320 0.001 0.000 0.217 221 A C 2.522 180.013 177.584 -0.155 0.000 1.181 221 A CA 2.486 54.445 52.037 -0.130 0.000 0.623 221 A CB -1.027 17.922 19.000 -0.085 0.000 0.818 221 A HN 0.316 nan 8.150 nan 0.000 0.443 222 T N 0.666 115.166 114.554 -0.090 0.000 2.607 222 T HA -0.161 4.189 4.350 0.001 0.000 0.267 222 T C 1.802 176.430 174.700 -0.119 0.000 1.049 222 T CA 1.681 63.736 62.100 -0.074 0.000 1.162 222 T CB -0.335 68.630 68.868 0.162 0.000 0.863 222 T HN 0.312 nan 8.240 nan 0.000 0.424 223 I N 1.020 121.477 120.570 -0.188 0.000 2.226 223 I HA -0.070 4.101 4.170 0.001 0.000 0.245 223 I C 2.381 178.409 176.117 -0.148 0.000 1.100 223 I CA 1.236 62.438 61.300 -0.163 0.000 1.374 223 I CB -1.327 36.529 38.000 -0.240 0.000 1.057 223 I HN 0.276 nan 8.210 nan 0.000 0.413 224 L N 0.425 121.537 121.223 -0.185 0.000 2.191 224 L HA -0.155 4.186 4.340 0.001 0.000 0.212 224 L C 2.575 179.332 176.870 -0.187 0.000 1.103 224 L CA 1.061 55.785 54.840 -0.194 0.000 0.769 224 L CB -0.513 41.413 42.059 -0.222 0.000 0.908 224 L HN 0.199 nan 8.230 nan 0.000 0.438 225 A N -0.351 122.363 122.820 -0.177 0.000 2.021 225 A HA -0.023 4.298 4.320 0.001 0.000 0.216 225 A C 1.794 179.302 177.584 -0.128 0.000 1.163 225 A CA 1.115 53.048 52.037 -0.172 0.000 0.676 225 A CB -0.182 18.687 19.000 -0.219 0.000 0.818 225 A HN 0.294 nan 8.150 nan 0.000 0.453 226 V N -1.633 118.240 119.914 -0.069 0.000 3.271 226 V HA 0.140 4.260 4.120 0.001 0.000 0.327 226 V C 1.403 177.483 176.094 -0.023 0.000 1.389 226 V CA 0.860 63.200 62.300 0.067 0.000 1.156 226 V CB -0.697 31.240 31.823 0.191 0.000 1.103 226 V HN 0.489 nan 8.190 nan 0.000 0.453 227 S N 1.856 117.480 115.700 -0.127 0.000 2.522 227 S HA -0.133 4.338 4.470 0.001 0.000 0.227 227 S C 1.893 176.388 174.600 -0.176 0.000 0.986 227 S CA 0.806 58.941 58.200 -0.109 0.000 0.929 227 S CB -0.605 62.532 63.200 -0.106 0.000 0.769 227 S HN 0.852 nan 8.310 nan 0.000 0.529 228 R N 0.073 120.339 120.500 -0.391 0.000 2.328 228 R HA 0.088 4.429 4.340 0.001 0.000 0.207 228 R C 0.135 176.086 176.300 -0.581 0.000 1.056 228 R CA 0.827 56.611 56.100 -0.527 0.000 1.016 228 R CB -0.611 29.241 30.300 -0.746 0.000 0.872 228 R HN 0.516 nan 8.270 nan 0.000 0.471 229 F N 0.329 120.277 119.950 -0.002 0.000 2.698 229 F HA 0.446 4.974 4.527 0.002 0.000 0.304 229 F C 1.053 176.853 175.800 0.001 0.000 1.108 229 F CA -0.708 57.292 58.000 -0.000 0.000 1.263 229 F CB 0.901 39.898 39.000 -0.004 0.000 1.013 229 F HN 0.184 nan 8.300 nan 0.000 0.532 230 G N 0.746 109.594 108.800 0.081 0.000 2.246 230 G HA2 -0.256 3.704 3.960 0.001 0.000 0.273 230 G HA3 -0.256 3.704 3.960 0.001 0.000 0.273 230 G C 1.376 176.319 174.900 0.071 0.000 1.055 230 G CA 0.246 45.381 45.100 0.059 0.000 0.851 230 G HN 0.705 nan 8.290 nan 0.000 0.500 231 G N 0.040 108.886 108.800 0.076 0.000 2.432 231 G HA2 0.010 3.971 3.960 0.001 0.000 0.219 231 G HA3 0.010 3.971 3.960 0.001 0.000 0.219 231 G C 1.327 176.259 174.900 0.054 0.000 1.135 231 G CA 1.447 46.595 45.100 0.080 0.000 0.767 231 G HN 0.668 nan 8.290 nan 0.000 0.550 232 E N 0.041 120.253 120.200 0.021 0.000 2.160 232 E HA -0.096 4.254 4.350 0.001 0.000 0.195 232 E C 1.299 177.920 176.600 0.035 0.000 0.991 232 E CA 0.679 57.089 56.400 0.017 0.000 0.810 232 E CB -0.698 28.994 29.700 -0.013 0.000 0.742 232 E HN 0.301 nan 8.360 nan 0.000 0.466 233 C N 2.920 122.239 119.300 0.030 0.000 3.031 233 C HA 0.073 4.534 4.460 0.001 0.000 0.489 233 C C 1.300 176.310 174.990 0.033 0.000 1.020 233 C CA -0.368 58.664 59.018 0.023 0.000 1.104 233 C CB -1.809 25.944 27.740 0.021 0.000 1.470 233 C HN 0.349 nan 8.230 nan 0.000 0.583 234 E N 0.794 121.016 120.200 0.037 0.000 2.072 234 E HA -0.136 4.215 4.350 0.001 0.000 0.191 234 E C 1.813 178.409 176.600 -0.006 0.000 0.985 234 E CA 0.989 57.416 56.400 0.045 0.000 0.801 234 E CB 0.032 29.771 29.700 0.064 0.000 0.750 234 E HN 0.741 nan 8.360 nan 0.000 0.452 235 L N 0.952 122.151 121.223 -0.041 0.000 2.083 235 L HA -0.182 4.159 4.340 0.001 0.000 0.209 235 L C 2.562 179.420 176.870 -0.020 0.000 1.083 235 L CA 1.097 55.906 54.840 -0.051 0.000 0.752 235 L CB -0.258 41.763 42.059 -0.063 0.000 0.899 235 L HN 0.151 nan 8.230 nan 0.000 0.433 236 E N -0.420 119.776 120.200 -0.007 0.000 2.031 236 E HA -0.243 4.108 4.350 0.001 0.000 0.193 236 E C 2.295 178.904 176.600 0.015 0.000 0.994 236 E CA 1.141 57.543 56.400 0.004 0.000 0.800 236 E CB 0.139 29.845 29.700 0.011 0.000 0.752 236 E HN 0.405 nan 8.360 nan 0.000 0.447 237 Q N 0.033 119.849 119.800 0.027 0.000 2.124 237 Q HA -0.153 4.188 4.340 0.001 0.000 0.202 237 Q C 2.330 178.351 176.000 0.036 0.000 0.977 237 Q CA 1.003 56.830 55.803 0.039 0.000 0.850 237 Q CB -0.140 28.635 28.738 0.062 0.000 0.901 237 Q HN 0.457 nan 8.270 nan 0.000 0.429 238 I N 0.584 121.171 120.570 0.028 0.000 2.202 238 I HA -0.243 3.927 4.170 0.001 0.000 0.242 238 I C 2.400 178.527 176.117 0.017 0.000 1.091 238 I CA 1.054 62.369 61.300 0.025 0.000 1.368 238 I CB -0.420 37.582 38.000 0.005 0.000 1.058 238 I HN 0.069 nan 8.210 nan 0.000 0.410 239 A N -0.523 122.301 122.820 0.006 0.000 1.902 239 A HA -0.209 4.111 4.320 0.001 0.000 0.217 239 A C 1.001 178.591 177.584 0.010 0.000 1.181 239 A CA 1.817 53.857 52.037 0.004 0.000 0.623 239 A CB -0.230 18.768 19.000 -0.003 0.000 0.818 239 A HN 0.434 nan 8.150 nan 0.000 0.443 240 D N -1.445 118.963 120.400 0.013 0.000 2.364 240 D HA 0.216 4.857 4.640 0.001 0.000 0.251 240 D C -0.231 176.079 176.300 0.018 0.000 1.282 240 D CA -0.480 53.529 54.000 0.014 0.000 0.927 240 D CB 0.110 40.916 40.800 0.011 0.000 1.267 240 D HN 0.267 nan 8.370 nan 0.000 0.531 241 R N 1.606 122.118 120.500 0.020 0.000 2.538 241 R HA 0.338 4.679 4.340 0.001 0.000 0.273 241 R C 0.171 176.478 176.300 0.012 0.000 0.967 241 R CA 0.641 56.754 56.100 0.021 0.000 1.101 241 R CB 0.270 30.583 30.300 0.022 0.000 0.908 241 R HN 0.436 nan 8.270 nan 0.000 0.411 242 G N 0.594 109.400 108.800 0.011 0.000 2.816 242 G HA2 0.118 4.079 3.960 0.001 0.000 0.288 242 G HA3 0.118 4.079 3.960 0.001 0.000 0.288 242 G C 0.377 175.250 174.900 -0.044 0.000 1.334 242 G CA -0.275 44.821 45.100 -0.006 0.000 0.978 242 G HN 0.567 nan 8.290 nan 0.000 0.493 243 T N -0.278 114.215 114.554 -0.102 0.000 2.822 243 T HA -0.118 4.232 4.350 0.001 0.000 0.270 243 T C 2.513 177.049 174.700 -0.274 0.000 1.064 243 T CA 2.677 64.634 62.100 -0.238 0.000 1.131 243 T CB -0.482 68.146 68.868 -0.400 0.000 0.858 243 T HN 0.688 nan 8.240 nan 0.000 0.483 244 A N 0.910 123.675 122.820 -0.092 0.000 1.855 244 A HA 0.241 4.562 4.320 0.001 0.000 0.215 244 A C 2.743 180.354 177.584 0.046 0.000 1.191 244 A CA 1.920 54.008 52.037 0.085 0.000 0.613 244 A CB -1.362 17.765 19.000 0.212 0.000 0.829 244 A HN 0.623 nan 8.150 nan 0.000 0.442 245 A N -0.229 122.613 122.820 0.037 0.000 1.902 245 A HA -0.184 4.137 4.320 0.001 0.000 0.217 245 A C 1.935 179.527 177.584 0.012 0.000 1.181 245 A CA 1.714 53.780 52.037 0.048 0.000 0.623 245 A CB -0.558 18.473 19.000 0.052 0.000 0.818 245 A HN 0.652 nan 8.150 nan 0.000 0.443 246 E N -0.509 119.669 120.200 -0.036 0.000 2.072 246 E HA -0.170 4.181 4.350 0.001 0.000 0.191 246 E C 2.365 178.891 176.600 -0.123 0.000 0.985 246 E CA 1.032 57.391 56.400 -0.070 0.000 0.801 246 E CB -0.188 29.461 29.700 -0.085 0.000 0.750 246 E HN 0.543 nan 8.360 nan 0.000 0.452 247 R N 0.654 121.066 120.500 -0.147 0.000 2.073 247 R HA -0.089 4.252 4.340 0.001 0.000 0.234 247 R C 2.451 178.692 176.300 -0.098 0.000 1.134 247 R CA 1.082 57.078 56.100 -0.173 0.000 0.952 247 R CB -0.400 29.809 30.300 -0.151 0.000 0.850 247 R HN 0.098 nan 8.270 nan 0.000 0.433 248 A N 1.708 124.526 122.820 -0.003 0.000 1.865 248 A HA -0.183 4.138 4.320 0.001 0.000 0.217 248 A C 2.460 180.131 177.584 0.145 0.000 1.191 248 A CA 1.918 54.007 52.037 0.086 0.000 0.623 248 A CB -0.844 18.232 19.000 0.126 0.000 0.826 248 A HN 0.408 nan 8.150 nan 0.000 0.444 249 A N -0.228 122.635 122.820 0.072 0.000 1.873 249 A HA -0.135 4.186 4.320 0.001 0.000 0.218 249 A C 2.178 179.739 177.584 -0.040 0.000 1.193 249 A CA 1.729 53.803 52.037 0.062 0.000 0.629 249 A CB -0.776 18.236 19.000 0.021 0.000 0.826 249 A HN 0.503 nan 8.150 nan 0.000 0.447 250 L N -1.995 119.081 121.223 -0.245 0.000 2.201 250 L HA -0.137 4.204 4.340 0.001 0.000 0.212 250 L C 2.468 178.889 176.870 -0.749 0.000 1.105 250 L CA 1.340 55.788 54.840 -0.654 0.000 0.775 250 L CB -0.561 40.892 42.059 -1.011 0.000 0.913 250 L HN 0.549 nan 8.230 nan 0.000 0.440 251 F N -0.081 119.536 119.950 -0.556 0.000 2.171 251 F HA -0.234 4.294 4.527 0.002 0.000 0.300 251 F C 1.904 177.384 175.800 -0.533 0.000 1.090 251 F CA 1.557 59.231 58.000 -0.544 0.000 1.293 251 F CB -0.222 38.418 39.000 -0.599 0.000 1.013 251 F HN -0.025 nan 8.300 nan 0.000 0.486 252 W N 0.303 121.583 121.300 -0.034 0.000 2.494 252 W HA 0.093 4.754 4.660 0.001 0.000 0.286 252 W C 2.737 179.169 176.519 -0.146 0.000 1.218 252 W CA 0.857 58.141 57.345 -0.101 0.000 1.313 252 W CB -0.517 28.885 29.460 -0.096 0.000 1.105 252 W HN -0.168 nan 8.180 nan 0.000 0.561 253 R N -0.080 120.459 120.500 0.064 0.000 2.083 253 R HA -0.196 4.145 4.340 0.001 0.000 0.237 253 R C 1.726 178.157 176.300 0.218 0.000 1.137 253 R CA 2.064 58.242 56.100 0.130 0.000 0.951 253 R CB -0.732 29.633 30.300 0.109 0.000 0.851 253 R HN 0.112 nan 8.270 nan 0.000 0.434 254 W N 0.331 121.572 121.300 -0.097 0.000 2.611 254 W HA 0.048 4.708 4.660 0.001 0.000 0.251 254 W C 1.670 178.056 176.519 -0.221 0.000 1.265 254 W CA 0.684 57.938 57.345 -0.151 0.000 1.295 254 W CB -0.537 28.804 29.460 -0.198 0.000 1.129 254 W HN 0.176 nan 8.180 nan 0.000 0.630 255 T N -0.179 114.333 114.554 -0.070 0.000 3.044 255 T HA 0.015 4.366 4.350 0.001 0.000 0.237 255 T C 1.619 176.348 174.700 0.049 0.000 1.001 255 T CA 1.161 63.173 62.100 -0.147 0.000 1.160 255 T CB -0.095 68.517 68.868 -0.426 0.000 0.889 255 T HN 0.114 nan 8.240 nan 0.000 0.442 256 M N -0.327 119.365 119.600 0.153 0.000 2.412 256 M HA 0.614 5.095 4.480 0.001 0.000 0.315 256 M C 1.329 177.833 176.300 0.340 0.000 1.092 256 M CA 0.130 55.574 55.300 0.239 0.000 0.974 256 M CB 0.859 33.628 32.600 0.283 0.000 1.437 256 M HN 0.330 nan 8.290 nan 0.000 0.524 257 G N 2.022 110.991 108.800 0.281 0.000 2.253 257 G HA2 -0.283 3.678 3.960 0.001 0.000 0.251 257 G HA3 -0.283 3.678 3.960 0.001 0.000 0.251 257 G C -0.149 175.004 174.900 0.420 0.000 0.998 257 G CA 0.516 45.801 45.100 0.309 0.000 0.621 257 G HN 0.770 nan 8.290 nan 0.000 0.524 258 F N 0.422 120.440 119.950 0.113 0.000 2.754 258 F HA 0.822 5.350 4.527 0.002 0.000 0.320 258 F C -0.608 175.261 175.800 0.114 0.000 1.156 258 F CA -1.542 56.522 58.000 0.106 0.000 0.950 258 F CB 0.684 39.738 39.000 0.091 0.000 1.388 258 F HN 0.453 nan 8.300 nan 0.000 0.485 259 N N 0.633 119.336 118.700 0.005 0.000 3.378 259 N HA 0.724 5.465 4.740 0.001 0.000 0.294 259 N C -1.742 173.780 175.510 0.020 0.000 1.544 259 N CA -0.553 52.425 53.050 -0.121 0.000 0.872 259 N CB 1.669 40.178 38.487 0.037 0.000 1.670 259 N HN 1.086 nan 8.380 nan 0.000 0.551 260 A N -0.108 122.720 122.820 0.014 0.000 2.578 260 A HA 0.849 5.170 4.320 0.001 0.000 0.255 260 A C -0.393 177.268 177.584 0.129 0.000 1.251 260 A CA -0.187 51.931 52.037 0.136 0.000 0.882 260 A CB 0.573 19.647 19.000 0.123 0.000 1.416 260 A HN 0.855 nan 8.150 nan 0.000 0.462 261 T N -3.156 111.490 114.554 0.153 0.000 2.932 261 T HA 0.436 4.787 4.350 0.001 0.000 0.289 261 T C 0.802 175.588 174.700 0.145 0.000 1.039 261 T CA -0.171 62.007 62.100 0.129 0.000 1.024 261 T CB 1.159 70.099 68.868 0.119 0.000 1.090 261 T HN 0.548 nan 8.240 nan 0.000 0.496 262 M N 0.755 120.439 119.600 0.140 0.000 2.192 262 M HA -0.131 4.350 4.480 0.001 0.000 0.259 262 M C 1.944 178.402 176.300 0.264 0.000 1.071 262 M CA 1.928 57.341 55.300 0.188 0.000 1.082 262 M CB -0.831 31.857 32.600 0.146 0.000 1.373 262 M HN 0.934 nan 8.290 nan 0.000 0.408 263 E N -1.698 118.616 120.200 0.189 0.000 2.045 263 E HA -0.009 4.342 4.350 0.001 0.000 0.190 263 E C 2.078 178.814 176.600 0.227 0.000 0.968 263 E CA 0.867 57.379 56.400 0.187 0.000 0.813 263 E CB -0.723 29.027 29.700 0.084 0.000 0.780 263 E HN 0.500 nan 8.360 nan 0.000 0.455 264 G N 2.005 110.913 108.800 0.180 0.000 2.547 264 G HA2 -0.341 3.620 3.960 0.001 0.000 0.221 264 G HA3 -0.341 3.620 3.960 0.001 0.000 0.221 264 G C 1.557 176.624 174.900 0.278 0.000 1.140 264 G CA 1.227 46.444 45.100 0.195 0.000 0.760 264 G HN 0.403 nan 8.290 nan 0.000 0.583 265 I N 0.760 121.464 120.570 0.223 0.000 2.315 265 I HA -0.206 3.964 4.170 0.001 0.000 0.251 265 I C 2.311 178.343 176.117 -0.141 0.000 1.125 265 I CA 1.470 62.796 61.300 0.044 0.000 1.392 265 I CB -0.427 37.437 38.000 -0.226 0.000 1.065 265 I HN 0.332 nan 8.210 nan 0.000 0.424 266 H N -0.571 118.484 119.070 -0.025 0.000 2.502 266 H HA 0.131 4.687 4.556 0.001 0.000 0.283 266 H C 2.210 177.547 175.328 0.015 0.000 1.015 266 H CA 0.862 56.867 56.048 -0.072 0.000 1.298 266 H CB -0.055 29.657 29.762 -0.084 0.000 1.411 266 H HN 0.283 nan 8.280 nan 0.000 0.556 267 R N -0.850 119.757 120.500 0.178 0.000 2.153 267 R HA -0.082 4.259 4.340 0.001 0.000 0.218 267 R C 1.272 177.724 176.300 0.252 0.000 1.072 267 R CA 0.906 57.123 56.100 0.194 0.000 0.990 267 R CB -0.080 30.305 30.300 0.143 0.000 0.889 267 R HN 0.382 nan 8.270 nan 0.000 0.452 268 W N 0.713 122.071 121.300 0.096 0.000 2.409 268 W HA -0.038 4.622 4.660 0.001 0.000 0.299 268 W C 2.484 179.027 176.519 0.039 0.000 1.203 268 W CA 1.133 58.527 57.345 0.082 0.000 1.298 268 W CB -0.222 29.228 29.460 -0.017 0.000 1.127 268 W HN 0.121 nan 8.180 nan 0.000 0.528 269 A N 0.179 123.091 122.820 0.153 0.000 1.877 269 A HA -0.221 4.100 4.320 0.001 0.000 0.216 269 A C 1.903 179.470 177.584 -0.027 0.000 1.186 269 A CA 1.743 53.757 52.037 -0.038 0.000 0.620 269 A CB -1.037 17.809 19.000 -0.256 0.000 0.822 269 A HN 0.355 nan 8.150 nan 0.000 0.443 270 I N -2.064 118.491 120.570 -0.025 0.000 2.226 270 I HA -0.267 3.904 4.170 0.001 0.000 0.245 270 I C 2.277 178.275 176.117 -0.198 0.000 1.100 270 I CA 1.492 62.713 61.300 -0.132 0.000 1.374 270 I CB -0.094 37.794 38.000 -0.187 0.000 1.057 270 I HN 0.609 nan 8.210 nan 0.000 0.413 271 W N -0.196 121.099 121.300 -0.008 0.000 2.409 271 W HA -0.184 4.478 4.660 0.003 0.000 0.299 271 W C 2.448 178.911 176.519 -0.094 0.000 1.203 271 W CA 0.836 58.143 57.345 -0.063 0.000 1.298 271 W CB -0.429 28.980 29.460 -0.086 0.000 1.127 271 W HN 0.137 nan 8.180 nan 0.000 0.528 272 M N 1.171 120.913 119.600 0.237 0.000 2.106 272 M HA -0.201 4.280 4.480 0.001 0.000 0.259 272 M C 1.985 178.362 176.300 0.129 0.000 1.068 272 M CA 2.500 57.937 55.300 0.228 0.000 1.100 272 M CB -0.834 31.917 32.600 0.252 0.000 1.351 272 M HN -0.029 nan 8.290 nan 0.000 0.404 273 A N -1.346 121.510 122.820 0.059 0.000 1.855 273 A HA -0.004 4.317 4.320 0.001 0.000 0.213 273 A C 2.147 179.739 177.584 0.013 0.000 1.195 273 A CA 1.494 53.555 52.037 0.040 0.000 0.610 273 A CB -1.171 17.826 19.000 -0.005 0.000 0.837 273 A HN 0.344 nan 8.150 nan 0.000 0.444 274 V N 0.620 120.507 119.914 -0.045 0.000 2.380 274 V HA -0.283 3.838 4.120 0.001 0.000 0.251 274 V C 2.474 178.546 176.094 -0.037 0.000 1.063 274 V CA 2.011 64.273 62.300 -0.063 0.000 1.055 274 V CB -0.775 30.916 31.823 -0.220 0.000 0.657 274 V HN 0.561 nan 8.190 nan 0.000 0.455 275 L N -0.624 120.525 121.223 -0.123 0.000 2.362 275 L HA -0.109 4.231 4.340 0.001 0.000 0.219 275 L C 2.301 179.113 176.870 -0.096 0.000 1.134 275 L CA 0.515 55.184 54.840 -0.285 0.000 0.807 275 L CB -0.554 40.868 42.059 -1.062 0.000 0.927 275 L HN 0.244 nan 8.230 nan 0.000 0.447 276 V N -0.095 119.847 119.914 0.047 0.000 2.261 276 V HA -0.283 3.838 4.120 0.001 0.000 0.246 276 V C 2.628 178.810 176.094 0.147 0.000 1.047 276 V CA 2.554 64.955 62.300 0.170 0.000 1.015 276 V CB -1.007 30.902 31.823 0.145 0.000 0.642 276 V HN 0.649 nan 8.190 nan 0.000 0.446 277 T N -1.922 112.714 114.554 0.136 0.000 3.043 277 T HA 0.023 4.374 4.350 0.001 0.000 0.263 277 T C 1.842 176.716 174.700 0.290 0.000 1.094 277 T CA 1.019 63.221 62.100 0.169 0.000 1.127 277 T CB -0.142 68.822 68.868 0.160 0.000 0.905 277 T HN 0.342 nan 8.240 nan 0.000 0.490 278 L N 2.109 123.484 121.223 0.254 0.000 2.005 278 L HA -0.070 4.271 4.340 0.001 0.000 0.207 278 L C 2.890 179.942 176.870 0.303 0.000 1.072 278 L CA 2.058 57.066 54.840 0.280 0.000 0.744 278 L CB -0.786 41.319 42.059 0.078 0.000 0.895 278 L HN 0.473 nan 8.230 nan 0.000 0.433 279 T N -3.353 111.347 114.554 0.243 0.000 2.821 279 T HA -0.063 4.288 4.350 0.001 0.000 0.267 279 T C 1.914 176.759 174.700 0.242 0.000 1.046 279 T CA 0.787 63.078 62.100 0.317 0.000 1.139 279 T CB -1.304 67.837 68.868 0.454 0.000 0.871 279 T HN 0.440 nan 8.240 nan 0.000 0.454 280 G N 1.356 110.274 108.800 0.198 0.000 2.440 280 G HA2 0.050 4.011 3.960 0.001 0.000 0.218 280 G HA3 0.050 4.011 3.960 0.001 0.000 0.218 280 G C 1.729 176.643 174.900 0.023 0.000 1.154 280 G CA 0.681 45.841 45.100 0.100 0.000 0.767 280 G HN 0.661 nan 8.290 nan 0.000 0.552 281 G N 0.945 109.779 108.800 0.057 0.000 2.422 281 G HA2 -0.157 3.804 3.960 0.001 0.000 0.218 281 G HA3 -0.157 3.804 3.960 0.001 0.000 0.218 281 G C 1.766 176.599 174.900 -0.110 0.000 1.146 281 G CA 0.834 45.744 45.100 -0.316 0.000 0.769 281 G HN 0.457 nan 8.290 nan 0.000 0.547 282 I N 1.127 121.806 120.570 0.182 0.000 2.286 282 I HA -0.026 4.144 4.170 0.001 0.000 0.245 282 I C 3.092 179.039 176.117 -0.283 0.000 1.104 282 I CA 0.872 62.111 61.300 -0.101 0.000 1.397 282 I CB -0.468 37.198 38.000 -0.556 0.000 1.072 282 I HN 0.228 nan 8.210 nan 0.000 0.417 283 G N 1.598 110.270 108.800 -0.213 0.000 2.446 283 G HA2 -0.211 3.750 3.960 0.001 0.000 0.217 283 G HA3 -0.211 3.750 3.960 0.001 0.000 0.217 283 G C 1.585 176.470 174.900 -0.025 0.000 1.168 283 G CA 0.612 45.663 45.100 -0.082 0.000 0.771 283 G HN 0.183 nan 8.290 nan 0.000 0.551 284 I N 0.296 120.834 120.570 -0.053 0.000 2.286 284 I HA -0.017 4.153 4.170 0.001 0.000 0.245 284 I C 2.639 178.799 176.117 0.071 0.000 1.104 284 I CA 0.520 61.806 61.300 -0.023 0.000 1.397 284 I CB -1.063 36.832 38.000 -0.174 0.000 1.072 284 I HN 0.120 nan 8.210 nan 0.000 0.417 285 L N 1.028 122.236 121.223 -0.025 0.000 1.989 285 L HA -0.191 4.150 4.340 0.001 0.000 0.211 285 L C 2.454 179.376 176.870 0.087 0.000 1.071 285 L CA 1.888 56.728 54.840 0.000 0.000 0.749 285 L CB -0.685 41.361 42.059 -0.021 0.000 0.890 285 L HN 0.116 nan 8.230 nan 0.000 0.431 286 L N -1.009 120.289 121.223 0.124 0.000 2.083 286 L HA -0.138 4.203 4.340 0.001 0.000 0.209 286 L C 1.059 178.063 176.870 0.223 0.000 1.083 286 L CA 0.359 55.310 54.840 0.184 0.000 0.752 286 L CB -0.768 41.461 42.059 0.282 0.000 0.899 286 L HN 0.108 nan 8.230 nan 0.000 0.433 287 S N 0.433 116.349 115.700 0.359 0.000 2.555 287 S HA 0.276 4.747 4.470 0.001 0.000 0.293 287 S C 1.189 175.833 174.600 0.072 0.000 1.248 287 S CA 0.543 58.889 58.200 0.243 0.000 1.096 287 S CB 0.568 63.897 63.200 0.215 0.000 0.881 287 S HN 0.603 nan 8.310 nan 0.000 0.498 288 G N 2.959 111.867 108.800 0.180 0.000 2.268 288 G HA2 -0.358 3.603 3.960 0.001 0.000 0.240 288 G HA3 -0.358 3.603 3.960 0.001 0.000 0.240 288 G C 1.013 175.933 174.900 0.034 0.000 1.010 288 G CA 0.951 46.154 45.100 0.171 0.000 0.618 288 G HN 0.893 nan 8.290 nan 0.000 0.516 289 T N -2.833 111.740 114.554 0.031 0.000 3.021 289 T HA 0.440 4.791 4.350 0.001 0.000 0.245 289 T C 2.081 176.775 174.700 -0.009 0.000 1.028 289 T CA 1.934 64.039 62.100 0.008 0.000 1.139 289 T CB 0.256 69.138 68.868 0.025 0.000 0.884 289 T HN 0.614 nan 8.240 nan 0.000 0.457 290 V N 0.443 120.346 119.914 -0.019 0.000 3.151 290 V HA 0.403 4.524 4.120 0.001 0.000 0.241 290 V C 0.394 176.412 176.094 -0.127 0.000 1.173 290 V CA -0.021 62.256 62.300 -0.038 0.000 1.154 290 V CB 1.094 32.917 31.823 0.001 0.000 0.898 290 V HN 0.342 nan 8.190 nan 0.000 0.473 291 V N 1.165 120.916 119.914 -0.272 0.000 2.487 291 V HA 0.448 4.569 4.120 0.001 0.000 0.298 291 V C -0.005 175.848 176.094 -0.402 0.000 1.028 291 V CA -0.399 61.587 62.300 -0.523 0.000 0.860 291 V CB 1.744 32.709 31.823 -1.431 0.000 0.991 291 V HN 0.297 nan 8.190 nan 0.000 0.427 292 D N 1.958 122.182 120.400 -0.293 0.000 2.355 292 D HA 0.085 4.726 4.640 0.001 0.000 0.206 292 D C 0.507 176.664 176.300 -0.238 0.000 1.010 292 D CA 0.689 54.550 54.000 -0.231 0.000 0.875 292 D CB 0.473 41.157 40.800 -0.194 0.000 0.966 292 D HN 0.478 nan 8.370 nan 0.000 0.512 293 N N -0.264 118.285 118.700 -0.252 0.000 2.571 293 N HA 0.015 4.756 4.740 0.001 0.000 0.286 293 N C -0.114 175.356 175.510 -0.066 0.000 1.138 293 N CA -0.371 52.623 53.050 -0.092 0.000 0.859 293 N CB 0.552 39.034 38.487 -0.009 0.000 1.414 293 N HN -0.115 nan 8.380 nan 0.000 0.529 294 W N 1.925 123.383 121.300 0.263 0.000 2.374 294 W HA -0.166 4.494 4.660 0.001 0.000 0.288 294 W C 1.844 178.615 176.519 0.419 0.000 1.218 294 W CA 0.604 58.155 57.345 0.345 0.000 1.245 294 W CB -0.270 29.380 29.460 0.317 0.000 1.126 294 W HN 0.658 nan 8.180 nan 0.000 0.545 295 Y N 0.852 121.351 120.300 0.332 0.000 2.097 295 Y HA -0.285 4.266 4.550 0.002 0.000 0.282 295 Y C 2.199 178.082 175.900 -0.027 0.000 1.152 295 Y CA 1.940 59.968 58.100 -0.121 0.000 1.136 295 Y CB -1.046 37.274 38.460 -0.233 0.000 0.975 295 Y HN -0.201 nan 8.280 nan 0.000 0.498 296 V N -0.401 119.422 119.914 -0.151 0.000 2.261 296 V HA -0.321 3.800 4.120 0.001 0.000 0.246 296 V C 2.170 178.200 176.094 -0.106 0.000 1.047 296 V CA 2.080 64.226 62.300 -0.257 0.000 1.015 296 V CB -1.298 30.458 31.823 -0.113 0.000 0.642 296 V HN 0.727 nan 8.190 nan 0.000 0.446 297 W N 1.545 122.767 121.300 -0.130 0.000 2.342 297 W HA -0.140 4.521 4.660 0.001 0.000 0.297 297 W C 2.200 178.744 176.519 0.042 0.000 1.213 297 W CA 1.719 59.026 57.345 -0.062 0.000 1.251 297 W CB -0.548 28.839 29.460 -0.121 0.000 1.136 297 W HN 0.245 nan 8.180 nan 0.000 0.526 298 G N -0.356 108.609 108.800 0.275 0.000 2.509 298 G HA2 -0.214 3.747 3.960 0.001 0.000 0.218 298 G HA3 -0.214 3.747 3.960 0.001 0.000 0.218 298 G C 1.397 176.227 174.900 -0.116 0.000 1.124 298 G CA 0.599 45.780 45.100 0.135 0.000 0.776 298 G HN 0.289 nan 8.290 nan 0.000 0.547 299 Q N 0.219 119.875 119.800 -0.241 0.000 2.331 299 Q HA 0.019 4.360 4.340 0.001 0.000 0.203 299 Q C 1.747 177.609 176.000 -0.231 0.000 0.944 299 Q CA 0.743 56.387 55.803 -0.265 0.000 0.892 299 Q CB 0.009 28.523 28.738 -0.374 0.000 0.983 299 Q HN 0.462 nan 8.270 nan 0.000 0.482 300 N N -0.351 118.177 118.700 -0.287 0.000 2.415 300 N HA -0.056 4.685 4.740 0.001 0.000 0.174 300 N C 0.712 176.033 175.510 -0.315 0.000 1.048 300 N CA 0.252 53.139 53.050 -0.273 0.000 0.895 300 N CB 0.080 38.411 38.487 -0.261 0.000 1.036 300 N HN 0.289 nan 8.380 nan 0.000 0.449 301 H N 0.000 118.709 119.070 -0.601 0.000 2.539 301 H HA 0.000 4.557 4.556 0.002 0.000 0.296 301 H CA 0.000 55.707 56.048 -0.569 0.000 1.023 301 H CB 0.000 29.084 29.762 -1.130 0.000 1.292 301 H HN 0.000 nan 8.280 nan 0.000 0.496