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 2o4v_1_B DATA FIRST_RESID 1 DATA SEQUENCE GTVTTDGADI VIKTKGGLEV ATTDKEFSFK LGGRLQADYG RFDGYYTNNG DATA SEQUENCE NTADAAYFRR AYLEFGGTAY RDWKYQINYD LSRNVGNDSA GYFDEASVTY DATA SEQUENCE TGFNPVNLKF GRFYTDFGLE KATSSKWVTA LERNLTYDIA DWVNDNVGTG DATA SEQUENCE IQASSVVGGM AFLSGSVFSE NNNDTDGDSV KRYNLRGVFA PLHEPGNVVH DATA SEQUENCE LGLQYAYRDL EDSAVDTRIR PRMGMRGVST NGGNDAGSNG NRGLFGGSSA DATA SEQUENCE VEGLWKDDSV WGLEGAWALG AFSAQAEYLR RTVKAERDRE DLKASGYYAQ DATA SEQUENCE LAYTLTGEPR LYKLDGAKFD TIKPENKEIG AWELFYRYDS IKVEDDNIVV DATA SEQUENCE DSATREVGDA KGKTHTLGVN WYANEAVKVS ANYVKAKTDK ISNANGDDSG DATA SEQUENCE DGLVMRLQYV F 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 1 G C 0.000 174.903 174.900 0.006 0.000 0.946 1 G CA 0.000 45.103 45.100 0.005 0.000 0.502 2 T N -2.178 112.379 114.554 0.005 0.000 2.882 2 T HA 0.653 5.003 4.350 -0.001 0.000 0.287 2 T C -0.313 174.391 174.700 0.007 0.000 1.014 2 T CA -0.580 61.524 62.100 0.006 0.000 1.049 2 T CB 1.696 70.567 68.868 0.006 0.000 1.001 2 T HN 0.986 nan 8.240 nan 0.000 0.525 3 V N 2.761 122.680 119.914 0.009 0.000 2.443 3 V HA 0.665 4.784 4.120 -0.001 0.000 0.293 3 V C 0.392 176.492 176.094 0.010 0.000 1.021 3 V CA -0.626 61.680 62.300 0.010 0.000 0.848 3 V CB 1.214 33.045 31.823 0.014 0.000 0.998 3 V HN 1.374 nan 8.190 nan 0.000 0.424 4 T N 0.427 114.985 114.554 0.008 0.000 2.838 4 T HA 0.784 5.134 4.350 -0.001 0.000 0.292 4 T C -0.492 174.211 174.700 0.005 0.000 1.113 4 T CA -0.775 61.330 62.100 0.008 0.000 1.008 4 T CB 2.284 71.155 68.868 0.006 0.000 1.259 4 T HN 0.600 nan 8.240 nan 0.000 0.520 5 T N -0.304 114.253 114.554 0.005 0.000 2.903 5 T HA 0.446 4.795 4.350 -0.001 0.000 0.299 5 T C -0.373 174.325 174.700 -0.003 0.000 1.093 5 T CA -0.421 61.678 62.100 -0.001 0.000 1.002 5 T CB 1.595 70.464 68.868 0.003 0.000 1.127 5 T HN 0.812 nan 8.240 nan 0.000 0.488 6 D N 1.307 121.700 120.400 -0.012 0.000 2.349 6 D HA 0.215 4.854 4.640 -0.001 0.000 0.214 6 D C 0.984 177.279 176.300 -0.008 0.000 1.063 6 D CA -0.156 53.838 54.000 -0.010 0.000 0.847 6 D CB -0.002 40.789 40.800 -0.015 0.000 0.933 6 D HN 0.565 nan 8.370 nan 0.000 0.513 7 G N 0.269 109.063 108.800 -0.011 0.000 2.849 7 G HA2 0.554 4.513 3.960 -0.001 0.000 0.174 7 G HA3 0.554 4.513 3.960 -0.001 0.000 0.174 7 G C -0.219 174.698 174.900 0.029 0.000 1.370 7 G CA -0.208 44.894 45.100 0.003 0.000 1.040 7 G HN 0.310 nan 8.290 nan 0.000 0.582 8 A N -0.542 122.312 122.820 0.057 0.000 2.406 8 A HA 0.433 4.752 4.320 -0.001 0.000 0.243 8 A C -0.041 177.574 177.584 0.052 0.000 1.082 8 A CA -0.236 51.838 52.037 0.062 0.000 0.786 8 A CB -0.140 18.913 19.000 0.089 0.000 1.029 8 A HN 0.491 nan 8.150 nan 0.000 0.495 9 D N 0.078 120.504 120.400 0.043 0.000 2.506 9 D HA 0.213 4.853 4.640 -0.001 0.000 0.234 9 D C -0.150 176.177 176.300 0.045 0.000 1.143 9 D CA 1.148 55.170 54.000 0.037 0.000 0.871 9 D CB 0.313 41.132 40.800 0.030 0.000 1.190 9 D HN 0.355 nan 8.370 nan 0.000 0.459 10 I N 1.369 121.964 120.570 0.040 0.000 2.530 10 I HA 0.249 4.419 4.170 -0.001 0.000 0.297 10 I C -0.324 175.817 176.117 0.041 0.000 1.011 10 I CA -1.001 60.327 61.300 0.048 0.000 1.107 10 I CB 2.052 40.081 38.000 0.049 0.000 1.285 10 I HN -0.065 nan 8.210 nan 0.000 0.436 11 V N 6.455 126.395 119.914 0.044 0.000 2.495 11 V HA 0.482 4.602 4.120 -0.001 0.000 0.298 11 V C -0.101 176.019 176.094 0.043 0.000 1.031 11 V CA -0.591 61.730 62.300 0.037 0.000 0.871 11 V CB 1.809 33.649 31.823 0.028 0.000 0.988 11 V HN 0.531 nan 8.190 nan 0.000 0.432 12 I N 1.994 122.588 120.570 0.040 0.000 2.648 12 I HA 0.871 5.040 4.170 -0.001 0.000 0.304 12 I C -0.672 175.466 176.117 0.035 0.000 1.009 12 I CA -0.790 60.538 61.300 0.046 0.000 1.114 12 I CB 1.906 39.938 38.000 0.053 0.000 1.293 12 I HN 0.634 nan 8.210 nan 0.000 0.449 13 K N 2.605 123.026 120.400 0.035 0.000 2.525 13 K HA 0.563 4.883 4.320 -0.001 0.000 0.254 13 K C -1.485 175.135 176.600 0.032 0.000 0.934 13 K CA -0.387 55.916 56.287 0.027 0.000 0.802 13 K CB 2.369 34.879 32.500 0.017 0.000 1.295 13 K HN 0.862 nan 8.250 nan 0.000 0.433 14 T N 2.436 117.010 114.554 0.033 0.000 2.921 14 T HA 0.448 4.798 4.350 -0.001 0.000 0.297 14 T C -0.921 173.805 174.700 0.043 0.000 1.013 14 T CA -0.565 61.560 62.100 0.042 0.000 0.990 14 T CB 0.980 69.874 68.868 0.044 0.000 1.023 14 T HN 0.688 nan 8.240 nan 0.000 0.447 15 K N 2.680 123.117 120.400 0.061 0.000 2.792 15 K HA 0.440 4.760 4.320 -0.001 0.000 0.207 15 K C 1.028 177.699 176.600 0.118 0.000 1.103 15 K CA 0.087 56.414 56.287 0.067 0.000 1.048 15 K CB 0.801 33.331 32.500 0.049 0.000 0.777 15 K HN 0.895 nan 8.250 nan 0.000 0.468 16 G N -0.477 108.393 108.800 0.116 0.000 2.316 16 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.203 16 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.203 16 G C 0.446 175.413 174.900 0.112 0.000 0.999 16 G CA -0.333 44.845 45.100 0.131 0.000 0.649 16 G HN 0.496 nan 8.290 nan 0.000 0.489 17 G N -0.786 108.137 108.800 0.205 0.000 3.175 17 G HA2 0.789 4.749 3.960 -0.001 0.000 0.153 17 G HA3 0.789 4.749 3.960 -0.001 0.000 0.153 17 G C -1.263 173.699 174.900 0.104 0.000 1.216 17 G CA -0.154 45.087 45.100 0.235 0.000 0.943 17 G HN 1.143 nan 8.290 nan 0.000 0.611 18 L N -0.515 120.741 121.223 0.054 0.000 2.493 18 L HA 0.618 4.957 4.340 -0.001 0.000 0.265 18 L C -1.298 175.546 176.870 -0.042 0.000 0.954 18 L CA -0.440 54.420 54.840 0.034 0.000 0.844 18 L CB 2.264 44.382 42.059 0.098 0.000 1.302 18 L HN 0.611 nan 8.230 nan 0.000 0.405 19 E N 3.559 123.758 120.200 -0.002 0.000 2.256 19 E HA 0.722 5.071 4.350 -0.001 0.000 0.268 19 E C -1.613 175.023 176.600 0.060 0.000 0.877 19 E CA -0.784 55.607 56.400 -0.014 0.000 0.757 19 E CB 2.805 32.492 29.700 -0.021 0.000 1.183 19 E HN 0.361 nan 8.360 nan 0.000 0.418 20 V N 1.757 121.738 119.914 0.111 0.000 2.525 20 V HA 0.785 4.904 4.120 -0.001 0.000 0.299 20 V C -0.818 175.359 176.094 0.138 0.000 1.034 20 V CA -0.595 61.789 62.300 0.140 0.000 0.863 20 V CB 1.576 33.520 31.823 0.203 0.000 0.999 20 V HN 0.771 nan 8.190 nan 0.000 0.423 21 A N 2.765 125.646 122.820 0.103 0.000 2.520 21 A HA 0.846 5.166 4.320 -0.001 0.000 0.298 21 A C -0.110 177.530 177.584 0.092 0.000 1.051 21 A CA -0.408 51.690 52.037 0.103 0.000 0.690 21 A CB 1.783 20.824 19.000 0.068 0.000 1.281 21 A HN 0.950 nan 8.150 nan 0.000 0.402 22 T N -0.471 114.153 114.554 0.117 0.000 2.918 22 T HA 0.379 4.729 4.350 -0.001 0.000 0.302 22 T C 1.230 175.968 174.700 0.064 0.000 1.045 22 T CA 0.485 62.647 62.100 0.103 0.000 1.114 22 T CB 0.747 69.712 68.868 0.163 0.000 0.965 22 T HN 1.303 nan 8.240 nan 0.000 0.540 23 T N -1.669 112.915 114.554 0.049 0.000 3.118 23 T HA -0.035 4.314 4.350 -0.001 0.000 0.260 23 T C 1.009 175.721 174.700 0.020 0.000 1.139 23 T CA 0.583 62.700 62.100 0.030 0.000 1.085 23 T CB -0.413 68.470 68.868 0.026 0.000 0.934 23 T HN 0.784 nan 8.240 nan 0.000 0.518 24 D N 0.909 121.323 120.400 0.025 0.000 2.328 24 D HA 0.087 4.727 4.640 -0.001 0.000 0.221 24 D C 0.791 177.079 176.300 -0.021 0.000 1.072 24 D CA -0.244 53.761 54.000 0.007 0.000 0.850 24 D CB -0.325 40.486 40.800 0.018 0.000 0.922 24 D HN 0.444 nan 8.370 nan 0.000 0.516 25 K N -0.917 119.471 120.400 -0.020 0.000 3.472 25 K HA -0.268 4.052 4.320 -0.001 0.000 0.315 25 K C 1.047 177.583 176.600 -0.107 0.000 1.320 25 K CA 1.192 57.452 56.287 -0.045 0.000 0.962 25 K CB -1.335 31.136 32.500 -0.048 0.000 1.251 25 K HN 0.311 nan 8.250 nan 0.000 0.443 26 E N -0.347 119.756 120.200 -0.162 0.000 2.086 26 E HA 0.006 4.355 4.350 -0.001 0.000 0.190 26 E C -0.284 175.877 176.600 -0.732 0.000 0.975 26 E CA 0.767 56.890 56.400 -0.462 0.000 0.813 26 E CB 0.320 29.694 29.700 -0.544 0.000 0.768 26 E HN 0.184 nan 8.360 nan 0.000 0.457 27 F N -0.341 119.591 119.950 -0.031 0.000 2.565 27 F HA 0.348 4.875 4.527 -0.001 0.000 0.313 27 F C -0.189 175.632 175.800 0.036 0.000 1.091 27 F CA -0.816 57.173 58.000 -0.018 0.000 0.915 27 F CB 2.256 41.219 39.000 -0.062 0.000 1.208 27 F HN -0.190 nan 8.300 nan 0.000 0.453 28 S N 1.768 117.630 115.700 0.270 0.000 2.565 28 S HA 0.830 5.299 4.470 -0.001 0.000 0.269 28 S C -1.891 172.894 174.600 0.308 0.000 1.153 28 S CA -0.732 57.598 58.200 0.218 0.000 0.835 28 S CB 2.348 65.614 63.200 0.111 0.000 1.122 28 S HN 0.611 nan 8.310 nan 0.000 0.462 29 F N 1.064 121.073 119.950 0.098 0.000 2.581 29 F HA 0.760 5.287 4.527 -0.001 0.000 0.311 29 F C -1.062 174.776 175.800 0.064 0.000 1.113 29 F CA -0.566 57.498 58.000 0.105 0.000 0.935 29 F CB 1.889 40.977 39.000 0.147 0.000 1.232 29 F HN 0.920 nan 8.300 nan 0.000 0.445 30 K N 7.318 127.233 120.400 -0.809 0.000 2.507 30 K HA 0.569 4.889 4.320 -0.001 0.000 0.252 30 K C -2.245 173.797 176.600 -0.930 0.000 0.943 30 K CA -0.677 55.195 56.287 -0.691 0.000 0.808 30 K CB 1.688 33.988 32.500 -0.333 0.000 1.142 30 K HN 0.871 nan 8.250 nan 0.000 0.426 31 L N 4.207 124.973 121.223 -0.760 0.000 2.287 31 L HA 0.707 5.047 4.340 -0.001 0.000 0.287 31 L C -0.316 176.382 176.870 -0.288 0.000 1.022 31 L CA -0.136 54.393 54.840 -0.517 0.000 0.814 31 L CB 1.266 43.191 42.059 -0.224 0.000 1.217 31 L HN 0.901 nan 8.230 nan 0.000 0.420 32 G N 2.238 110.805 108.800 -0.388 0.000 2.911 32 G HA2 0.837 4.796 3.960 -0.001 0.000 0.299 32 G HA3 0.837 4.796 3.960 -0.001 0.000 0.299 32 G C -0.914 173.427 174.900 -0.932 0.000 1.283 32 G CA -0.238 44.560 45.100 -0.504 0.000 0.805 32 G HN 0.945 nan 8.290 nan 0.000 0.548 33 G N -1.207 106.755 108.800 -1.396 0.000 2.320 33 G HA2 0.659 4.618 3.960 -0.001 0.000 0.296 33 G HA3 0.659 4.618 3.960 -0.001 0.000 0.296 33 G C -1.633 172.756 174.900 -0.851 0.000 1.306 33 G CA -0.263 44.160 45.100 -1.128 0.000 0.836 33 G HN 1.243 nan 8.290 nan 0.000 0.517 34 R N -1.057 119.201 120.500 -0.403 0.000 2.566 34 R HA 0.717 5.056 4.340 -0.001 0.000 0.271 34 R C -2.336 173.867 176.300 -0.161 0.000 1.071 34 R CA -0.929 55.009 56.100 -0.270 0.000 0.915 34 R CB 1.919 31.982 30.300 -0.395 0.000 1.228 34 R HN 0.832 nan 8.270 nan 0.000 0.449 35 L N 1.957 123.149 121.223 -0.051 0.000 2.356 35 L HA 0.414 4.754 4.340 -0.001 0.000 0.277 35 L C -1.115 175.751 176.870 -0.005 0.000 0.996 35 L CA -0.216 54.598 54.840 -0.042 0.000 0.822 35 L CB 2.161 44.209 42.059 -0.019 0.000 1.256 35 L HN 0.724 nan 8.230 nan 0.000 0.413 36 Q N 4.527 124.338 119.800 0.018 0.000 2.363 36 Q HA 0.725 5.064 4.340 -0.001 0.000 0.265 36 Q C -0.863 175.210 176.000 0.120 0.000 1.032 36 Q CA -0.597 55.213 55.803 0.012 0.000 0.746 36 Q CB 1.952 30.638 28.738 -0.087 0.000 1.237 36 Q HN 0.765 nan 8.270 nan 0.000 0.475 37 A N 3.068 125.936 122.820 0.079 0.000 2.249 37 A HA 0.520 4.839 4.320 -0.001 0.000 0.314 37 A C -0.923 176.519 177.584 -0.236 0.000 1.290 37 A CA -0.540 51.443 52.037 -0.091 0.000 0.893 37 A CB 0.522 19.508 19.000 -0.023 0.000 1.165 37 A HN 0.540 nan 8.150 nan 0.000 0.530 38 D N 0.477 120.585 120.400 -0.487 0.000 2.248 38 D HA 0.504 5.144 4.640 -0.001 0.000 0.246 38 D C -1.340 174.725 176.300 -0.391 0.000 1.027 38 D CA 0.344 54.039 54.000 -0.507 0.000 0.853 38 D CB 1.443 41.736 40.800 -0.846 0.000 1.243 38 D HN 0.436 nan 8.370 nan 0.000 0.462 39 Y N 0.509 120.641 120.300 -0.280 0.000 2.346 39 Y HA 0.573 5.123 4.550 -0.001 0.000 0.332 39 Y C -0.376 175.498 175.900 -0.044 0.000 0.985 39 Y CA -0.759 57.252 58.100 -0.149 0.000 1.112 39 Y CB 1.649 40.039 38.460 -0.116 0.000 1.170 39 Y HN 0.405 nan 8.280 nan 0.000 0.447 40 G N 5.474 113.966 108.800 -0.513 0.000 2.482 40 G HA2 0.723 4.682 3.960 -0.001 0.000 0.317 40 G HA3 0.723 4.682 3.960 -0.001 0.000 0.317 40 G C -1.547 173.098 174.900 -0.426 0.000 1.241 40 G CA -1.143 43.778 45.100 -0.298 0.000 0.967 40 G HN 0.613 nan 8.290 nan 0.000 0.482 41 R N 0.001 120.363 120.500 -0.230 0.000 2.628 41 R HA 0.654 4.994 4.340 -0.001 0.000 0.288 41 R C -1.436 174.828 176.300 -0.060 0.000 0.980 41 R CA -0.630 55.292 56.100 -0.297 0.000 0.891 41 R CB 2.105 32.263 30.300 -0.237 0.000 1.188 41 R HN 0.598 nan 8.270 nan 0.000 0.450 42 F N -0.669 119.222 119.950 -0.099 0.000 2.678 42 F HA 0.567 5.094 4.527 -0.001 0.000 0.308 42 F C -1.189 174.654 175.800 0.071 0.000 1.118 42 F CA -1.213 56.762 58.000 -0.042 0.000 0.959 42 F CB 1.424 40.292 39.000 -0.220 0.000 1.305 42 F HN 0.490 nan 8.300 nan 0.000 0.443 43 D N -0.237 120.377 120.400 0.357 0.000 2.895 43 D HA 0.659 5.299 4.640 -0.001 0.000 0.320 43 D C 0.563 177.044 176.300 0.301 0.000 1.249 43 D CA -0.145 54.001 54.000 0.242 0.000 0.997 43 D CB 0.833 41.706 40.800 0.122 0.000 1.430 43 D HN 1.401 nan 8.370 nan 0.000 0.558 44 G N 0.005 108.912 108.800 0.178 0.000 2.583 44 G HA2 -0.421 3.539 3.960 -0.001 0.000 0.292 44 G HA3 -0.421 3.539 3.960 -0.001 0.000 0.292 44 G C 0.841 175.819 174.900 0.130 0.000 1.203 44 G CA 1.136 46.323 45.100 0.144 0.000 0.987 44 G HN 0.893 nan 8.290 nan 0.000 0.554 45 Y N 0.609 120.888 120.300 -0.035 0.000 2.181 45 Y HA -0.199 4.351 4.550 -0.001 0.000 0.284 45 Y C 2.875 178.744 175.900 -0.051 0.000 1.179 45 Y CA 2.923 60.963 58.100 -0.099 0.000 1.179 45 Y CB -0.465 37.861 38.460 -0.225 0.000 0.973 45 Y HN 0.479 nan 8.280 nan 0.000 0.519 46 Y N 0.510 120.874 120.300 0.107 0.000 2.403 46 Y HA -0.076 4.474 4.550 -0.001 0.000 0.291 46 Y C 1.476 177.410 175.900 0.058 0.000 1.143 46 Y CA 1.036 59.175 58.100 0.065 0.000 1.257 46 Y CB -0.854 37.742 38.460 0.227 0.000 0.984 46 Y HN 0.154 nan 8.280 nan 0.000 0.550 47 T N -3.679 110.987 114.554 0.187 0.000 2.942 47 T HA 0.278 4.628 4.350 -0.001 0.000 0.289 47 T C 0.838 175.540 174.700 0.003 0.000 1.044 47 T CA -0.909 61.262 62.100 0.119 0.000 1.023 47 T CB 1.562 70.506 68.868 0.126 0.000 1.123 47 T HN -0.074 nan 8.240 nan 0.000 0.512 48 N N 1.608 120.309 118.700 0.001 0.000 2.188 48 N HA -0.099 4.640 4.740 -0.001 0.000 0.184 48 N C 1.411 176.916 175.510 -0.009 0.000 1.018 48 N CA 1.548 54.586 53.050 -0.021 0.000 0.858 48 N CB -0.418 38.063 38.487 -0.010 0.000 0.989 48 N HN 0.852 nan 8.380 nan 0.000 0.426 49 N N -0.868 117.835 118.700 0.006 0.000 2.299 49 N HA 0.121 4.861 4.740 -0.001 0.000 0.187 49 N C 1.094 176.616 175.510 0.019 0.000 1.099 49 N CA 0.825 53.881 53.050 0.010 0.000 0.867 49 N CB 0.175 38.667 38.487 0.008 0.000 0.974 49 N HN 0.176 nan 8.380 nan 0.000 0.477 50 G N -0.613 108.204 108.800 0.028 0.000 2.199 50 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.254 50 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.254 50 G C -0.148 174.781 174.900 0.048 0.000 0.982 50 G CA 0.096 45.224 45.100 0.047 0.000 0.632 50 G HN 0.462 nan 8.290 nan 0.000 0.529 51 N N 0.692 119.408 118.700 0.026 0.000 2.347 51 N HA 0.438 5.178 4.740 -0.001 0.000 0.253 51 N C 0.350 175.851 175.510 -0.015 0.000 1.274 51 N CA 0.438 53.493 53.050 0.008 0.000 0.941 51 N CB 0.245 38.730 38.487 -0.004 0.000 1.200 51 N HN 0.140 nan 8.380 nan 0.000 0.514 52 T N 0.742 115.269 114.554 -0.046 0.000 2.779 52 T HA 0.464 4.814 4.350 -0.001 0.000 0.296 52 T C 0.240 174.810 174.700 -0.216 0.000 0.938 52 T CA -0.388 61.638 62.100 -0.123 0.000 1.119 52 T CB 0.361 69.172 68.868 -0.095 0.000 0.891 52 T HN 0.513 nan 8.240 nan 0.000 0.526 53 A N 3.485 126.041 122.820 -0.440 0.000 2.313 53 A HA 0.845 5.165 4.320 -0.001 0.000 0.323 53 A C -0.305 176.764 177.584 -0.858 0.000 1.133 53 A CA -0.825 50.885 52.037 -0.545 0.000 0.847 53 A CB 1.017 19.731 19.000 -0.476 0.000 1.308 53 A HN 0.827 nan 8.150 nan 0.000 0.475 54 D N -1.554 118.523 120.400 -0.539 0.000 2.592 54 D HA 0.719 5.359 4.640 -0.001 0.000 0.263 54 D C -0.884 175.368 176.300 -0.081 0.000 1.132 54 D CA -0.105 53.636 54.000 -0.431 0.000 0.996 54 D CB 1.668 42.331 40.800 -0.229 0.000 1.442 54 D HN 1.137 nan 8.370 nan 0.000 0.486 55 A N -0.507 122.331 122.820 0.030 0.000 2.480 55 A HA 0.687 5.007 4.320 -0.001 0.000 0.289 55 A C -1.397 176.393 177.584 0.343 0.000 1.044 55 A CA -0.311 51.884 52.037 0.263 0.000 0.761 55 A CB 1.193 20.413 19.000 0.367 0.000 1.289 55 A HN 0.999 nan 8.150 nan 0.000 0.401 56 A N 2.438 125.480 122.820 0.370 0.000 2.291 56 A HA 0.898 5.217 4.320 -0.001 0.000 0.311 56 A C -0.825 176.833 177.584 0.123 0.000 1.224 56 A CA -0.451 51.724 52.037 0.230 0.000 0.821 56 A CB 0.225 19.330 19.000 0.175 0.000 1.172 56 A HN 1.960 nan 8.150 nan 0.000 0.494 57 Y N -0.758 119.453 120.300 -0.150 0.000 2.641 57 Y HA 0.683 5.233 4.550 -0.001 0.000 0.333 57 Y C -1.549 174.163 175.900 -0.313 0.000 1.174 57 Y CA -2.299 55.676 58.100 -0.208 0.000 1.057 57 Y CB 0.430 38.854 38.460 -0.060 0.000 1.322 57 Y HN 0.373 nan 8.280 nan 0.000 0.457 58 F N 2.633 122.632 119.950 0.081 0.000 2.444 58 F HA 0.452 4.978 4.527 -0.001 0.000 0.360 58 F C 1.593 177.493 175.800 0.167 0.000 1.106 58 F CA -0.474 57.538 58.000 0.021 0.000 1.170 58 F CB 1.260 40.271 39.000 0.018 0.000 1.113 58 F HN 0.647 nan 8.300 nan 0.000 0.521 59 R N 2.437 123.083 120.500 0.242 0.000 2.096 59 R HA 0.058 4.398 4.340 -0.001 0.000 0.235 59 R C -0.133 176.257 176.300 0.150 0.000 1.127 59 R CA 1.522 57.782 56.100 0.267 0.000 0.968 59 R CB 0.169 30.554 30.300 0.141 0.000 0.861 59 R HN 0.670 nan 8.270 nan 0.000 0.440 60 R N -2.096 118.445 120.500 0.068 0.000 2.604 60 R HA 0.614 4.953 4.340 -0.001 0.000 0.270 60 R C -1.696 174.561 176.300 -0.072 0.000 1.052 60 R CA -0.226 55.834 56.100 -0.067 0.000 0.902 60 R CB 2.249 32.267 30.300 -0.470 0.000 1.233 60 R HN 0.115 nan 8.270 nan 0.000 0.455 61 A N 2.698 125.519 122.820 0.001 0.000 3.007 61 A HA 0.416 4.735 4.320 -0.001 0.000 0.314 61 A C -1.554 176.134 177.584 0.175 0.000 1.153 61 A CA -0.555 51.458 52.037 -0.039 0.000 0.780 61 A CB 0.440 19.337 19.000 -0.171 0.000 1.258 61 A HN 0.463 nan 8.150 nan 0.000 0.460 62 Y N 0.971 121.243 120.300 -0.047 0.000 2.323 62 Y HA 0.583 5.132 4.550 -0.001 0.000 0.331 62 Y C 0.248 176.129 175.900 -0.032 0.000 1.092 62 Y CA -1.537 56.551 58.100 -0.020 0.000 1.150 62 Y CB 1.152 39.586 38.460 -0.043 0.000 1.200 62 Y HN 0.462 nan 8.280 nan 0.000 0.472 63 L N 3.544 124.897 121.223 0.217 0.000 2.295 63 L HA 0.491 4.830 4.340 -0.001 0.000 0.285 63 L C -0.338 176.557 176.870 0.042 0.000 1.035 63 L CA -0.540 54.359 54.840 0.099 0.000 0.806 63 L CB 1.367 43.590 42.059 0.273 0.000 1.214 63 L HN 0.570 nan 8.230 nan 0.000 0.426 64 E N 3.723 123.738 120.200 -0.308 0.000 2.216 64 E HA 0.467 4.816 4.350 -0.001 0.000 0.260 64 E C -1.582 174.748 176.600 -0.451 0.000 0.880 64 E CA -0.358 55.922 56.400 -0.200 0.000 0.765 64 E CB 1.792 31.387 29.700 -0.174 0.000 1.174 64 E HN 0.270 nan 8.360 nan 0.000 0.417 65 F N 1.357 121.370 119.950 0.105 0.000 2.477 65 F HA 0.681 5.207 4.527 -0.001 0.000 0.335 65 F C 0.710 176.540 175.800 0.051 0.000 1.130 65 F CA -0.784 57.311 58.000 0.159 0.000 0.948 65 F CB 2.217 41.463 39.000 0.409 0.000 1.154 65 F HN 0.453 nan 8.300 nan 0.000 0.439 66 G N 0.579 109.315 108.800 -0.107 0.000 2.660 66 G HA2 0.755 4.714 3.960 -0.001 0.000 0.294 66 G HA3 0.755 4.714 3.960 -0.001 0.000 0.294 66 G C -1.162 173.382 174.900 -0.593 0.000 1.369 66 G CA -0.801 43.965 45.100 -0.557 0.000 0.912 66 G HN 0.973 nan 8.290 nan 0.000 0.479 67 G N -1.307 107.008 108.800 -0.808 0.000 2.495 67 G HA2 0.654 4.614 3.960 -0.001 0.000 0.294 67 G HA3 0.654 4.614 3.960 -0.001 0.000 0.294 67 G C -1.324 173.599 174.900 0.039 0.000 1.397 67 G CA -0.309 44.708 45.100 -0.139 0.000 0.790 67 G HN 0.847 nan 8.290 nan 0.000 0.486 68 T N -0.225 114.452 114.554 0.204 0.000 2.893 68 T HA 0.799 5.149 4.350 -0.001 0.000 0.293 68 T C -0.375 174.481 174.700 0.261 0.000 1.027 68 T CA 0.081 62.300 62.100 0.199 0.000 0.988 68 T CB 1.735 70.649 68.868 0.077 0.000 1.043 68 T HN 1.565 nan 8.240 nan 0.000 0.461 69 A N 1.602 124.583 122.820 0.267 0.000 2.422 69 A HA 0.684 5.004 4.320 -0.001 0.000 0.302 69 A C -0.935 176.695 177.584 0.076 0.000 1.041 69 A CA -0.832 51.315 52.037 0.183 0.000 0.708 69 A CB 0.346 19.614 19.000 0.446 0.000 1.257 69 A HN 0.935 nan 8.150 nan 0.000 0.414 70 Y N 0.978 121.045 120.300 -0.389 0.000 3.491 70 Y HA -0.309 4.241 4.550 -0.001 0.000 0.215 70 Y C 1.478 177.313 175.900 -0.107 0.000 1.219 70 Y CA 1.515 59.482 58.100 -0.223 0.000 1.485 70 Y CB -1.875 36.651 38.460 0.109 0.000 1.450 70 Y HN 1.112 nan 8.280 nan 0.000 0.603 71 R N -0.963 119.424 120.500 -0.188 0.000 2.299 71 R HA -0.324 4.016 4.340 -0.001 0.000 0.153 71 R C 0.621 176.871 176.300 -0.083 0.000 0.885 71 R CA 2.304 58.329 56.100 -0.125 0.000 1.883 71 R CB -1.393 28.844 30.300 -0.106 0.000 0.864 71 R HN 0.493 nan 8.270 nan 0.000 0.666 72 D N -1.518 118.848 120.400 -0.056 0.000 2.398 72 D HA 0.117 4.757 4.640 -0.001 0.000 0.210 72 D C -0.479 175.608 176.300 -0.356 0.000 1.094 72 D CA 0.578 54.385 54.000 -0.322 0.000 0.839 72 D CB 0.102 40.574 40.800 -0.546 0.000 0.963 72 D HN 0.238 nan 8.370 nan 0.000 0.506 73 W N 1.991 123.353 121.300 0.102 0.000 2.362 73 W HA 0.367 5.027 4.660 -0.001 0.000 0.316 73 W C 0.287 176.915 176.519 0.180 0.000 1.024 73 W CA -0.784 56.677 57.345 0.194 0.000 1.270 73 W CB 1.283 30.888 29.460 0.243 0.000 1.273 73 W HN -0.532 nan 8.180 nan 0.000 0.424 74 K N 2.697 123.313 120.400 0.360 0.000 2.208 74 K HA 0.595 4.915 4.320 -0.001 0.000 0.247 74 K C -1.082 175.736 176.600 0.363 0.000 0.953 74 K CA -1.176 55.273 56.287 0.270 0.000 0.837 74 K CB 2.224 34.789 32.500 0.109 0.000 1.131 74 K HN 0.441 nan 8.250 nan 0.000 0.431 75 Y N -0.859 119.567 120.300 0.209 0.000 2.576 75 Y HA 0.626 5.175 4.550 -0.001 0.000 0.346 75 Y C -1.226 174.780 175.900 0.177 0.000 1.018 75 Y CA -1.160 57.058 58.100 0.197 0.000 1.050 75 Y CB 1.929 40.507 38.460 0.196 0.000 1.280 75 Y HN 0.451 nan 8.280 nan 0.000 0.474 76 Q N 2.673 122.595 119.800 0.203 0.000 2.275 76 Q HA 0.571 4.910 4.340 -0.001 0.000 0.258 76 Q C -2.236 173.933 176.000 0.281 0.000 0.960 76 Q CA -0.325 55.553 55.803 0.124 0.000 0.801 76 Q CB 1.507 30.285 28.738 0.068 0.000 1.302 76 Q HN 0.838 nan 8.270 nan 0.000 0.433 77 I N 3.585 124.381 120.570 0.376 0.000 2.420 77 I HA 0.462 4.631 4.170 -0.001 0.000 0.282 77 I C -0.738 175.637 176.117 0.429 0.000 1.019 77 I CA -0.850 60.705 61.300 0.423 0.000 1.130 77 I CB 1.369 39.646 38.000 0.461 0.000 1.262 77 I HN 0.423 nan 8.210 nan 0.000 0.454 78 N N 5.729 124.628 118.700 0.331 0.000 2.446 78 N HA 0.326 5.065 4.740 -0.001 0.000 0.265 78 N C -1.271 174.358 175.510 0.198 0.000 0.975 78 N CA -0.444 52.727 53.050 0.201 0.000 0.928 78 N CB 1.448 39.938 38.487 0.006 0.000 1.160 78 N HN 0.376 nan 8.380 nan 0.000 0.495 79 Y N 0.563 120.899 120.300 0.059 0.000 2.352 79 Y HA 0.210 4.760 4.550 -0.001 0.000 0.339 79 Y C -0.265 175.615 175.900 -0.034 0.000 0.992 79 Y CA -1.015 57.072 58.100 -0.021 0.000 1.100 79 Y CB 1.206 39.672 38.460 0.011 0.000 1.192 79 Y HN 0.372 nan 8.280 nan 0.000 0.458 80 D N 5.290 125.481 120.400 -0.348 0.000 2.441 80 D HA 0.163 4.802 4.640 -0.001 0.000 0.221 80 D C 0.657 176.893 176.300 -0.106 0.000 1.156 80 D CA 0.155 54.103 54.000 -0.086 0.000 0.896 80 D CB 0.519 41.294 40.800 -0.041 0.000 1.028 80 D HN 0.700 nan 8.370 nan 0.000 0.509 81 L N 2.302 123.543 121.223 0.030 0.000 2.265 81 L HA -0.128 4.212 4.340 -0.001 0.000 0.215 81 L C 2.183 179.013 176.870 -0.067 0.000 1.117 81 L CA 0.989 55.822 54.840 -0.013 0.000 0.782 81 L CB -0.490 41.583 42.059 0.022 0.000 0.914 81 L HN 0.373 nan 8.230 nan 0.000 0.441 82 S N -1.031 114.664 115.700 -0.009 0.000 2.527 82 S HA -0.053 4.416 4.470 -0.001 0.000 0.222 82 S C 1.017 175.599 174.600 -0.031 0.000 0.985 82 S CA -0.267 57.961 58.200 0.046 0.000 0.921 82 S CB 0.079 63.376 63.200 0.163 0.000 0.772 82 S HN 0.397 nan 8.310 nan 0.000 0.529 83 R N 0.115 120.511 120.500 -0.174 0.000 3.776 83 R HA -0.142 4.198 4.340 -0.001 0.000 0.312 83 R C -0.260 176.054 176.300 0.023 0.000 1.181 83 R CA 1.017 56.926 56.100 -0.319 0.000 0.836 83 R CB -3.296 26.733 30.300 -0.453 0.000 1.324 83 R HN 0.702 nan 8.270 nan 0.000 0.501 84 N N -0.635 118.119 118.700 0.089 0.000 2.353 84 N HA 0.121 4.861 4.740 -0.001 0.000 0.185 84 N C 0.063 175.661 175.510 0.147 0.000 1.098 84 N CA 0.517 53.639 53.050 0.120 0.000 0.872 84 N CB 0.869 39.429 38.487 0.123 0.000 0.970 84 N HN 0.075 nan 8.380 nan 0.000 0.467 85 V N -0.209 119.808 119.914 0.173 0.000 2.841 85 V HA 0.748 4.867 4.120 -0.001 0.000 0.310 85 V C 0.039 176.205 176.094 0.118 0.000 1.090 85 V CA 0.114 62.503 62.300 0.148 0.000 0.930 85 V CB 0.897 32.825 31.823 0.176 0.000 1.014 85 V HN 0.382 nan 8.190 nan 0.000 0.425 86 G N 5.047 113.869 108.800 0.036 0.000 2.681 86 G HA2 -0.003 3.957 3.960 -0.001 0.000 0.220 86 G HA3 -0.003 3.957 3.960 -0.001 0.000 0.220 86 G C -0.813 173.917 174.900 -0.284 0.000 1.353 86 G CA 0.264 45.295 45.100 -0.114 0.000 0.872 86 G HN 2.192 nan 8.290 nan 0.000 0.557 87 N N -2.026 116.281 118.700 -0.656 0.000 3.243 87 N HA 0.539 5.279 4.740 -0.001 0.000 0.280 87 N C -0.142 174.771 175.510 -0.994 0.000 1.545 87 N CA 0.056 52.658 53.050 -0.747 0.000 0.854 87 N CB 0.772 39.112 38.487 -0.245 0.000 1.612 87 N HN 0.449 nan 8.380 nan 0.000 0.577 88 D N -1.360 118.760 120.400 -0.466 0.000 2.328 88 D HA 0.288 4.928 4.640 -0.001 0.000 0.226 88 D C 0.206 176.449 176.300 -0.096 0.000 1.066 88 D CA 0.469 54.359 54.000 -0.184 0.000 0.861 88 D CB 0.200 41.063 40.800 0.104 0.000 0.912 88 D HN 0.447 nan 8.370 nan 0.000 0.521 89 S N -1.033 114.594 115.700 -0.122 0.000 2.517 89 S HA 0.202 4.671 4.470 -0.001 0.000 0.228 89 S C 1.853 176.429 174.600 -0.040 0.000 1.060 89 S CA 0.430 58.595 58.200 -0.057 0.000 0.937 89 S CB 0.238 63.410 63.200 -0.047 0.000 0.840 89 S HN 0.310 nan 8.310 nan 0.000 0.546 90 A N 0.763 123.546 122.820 -0.062 0.000 2.072 90 A HA 0.549 4.868 4.320 -0.001 0.000 0.216 90 A C 1.118 178.778 177.584 0.127 0.000 1.156 90 A CA 0.903 52.947 52.037 0.011 0.000 0.701 90 A CB -0.639 18.352 19.000 -0.014 0.000 0.816 90 A HN 0.964 nan 8.150 nan 0.000 0.458 91 G N -2.588 106.184 108.800 -0.047 0.000 2.576 91 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.686 91 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.686 91 G C -0.612 174.045 174.900 -0.406 0.000 1.242 91 G CA -0.575 44.462 45.100 -0.105 0.000 0.819 91 G HN 0.320 nan 8.290 nan 0.000 0.655 92 Y N 0.582 120.535 120.300 -0.579 0.000 2.930 92 Y HA 0.469 5.018 4.550 -0.001 0.000 0.386 92 Y C 0.810 176.062 175.900 -1.080 0.000 1.185 92 Y CA -0.445 57.171 58.100 -0.806 0.000 1.922 92 Y CB -0.314 37.652 38.460 -0.822 0.000 2.006 92 Y HN 0.368 nan 8.280 nan 0.000 0.431 93 F N 0.038 119.814 119.950 -0.290 0.000 2.420 93 F HA 0.142 4.668 4.527 -0.001 0.000 0.352 93 F C 1.396 177.071 175.800 -0.207 0.000 1.108 93 F CA -0.796 57.108 58.000 -0.161 0.000 1.162 93 F CB 1.008 40.006 39.000 -0.004 0.000 1.118 93 F HN 0.199 nan 8.300 nan 0.000 0.510 94 D N 1.405 121.736 120.400 -0.115 0.000 2.123 94 D HA -0.086 4.554 4.640 -0.001 0.000 0.200 94 D C 0.115 176.364 176.300 -0.085 0.000 0.976 94 D CA 1.132 55.030 54.000 -0.171 0.000 0.831 94 D CB 0.358 40.781 40.800 -0.628 0.000 0.974 94 D HN 0.623 nan 8.370 nan 0.000 0.469 95 E N -1.504 118.728 120.200 0.053 0.000 2.375 95 E HA 0.572 4.921 4.350 -0.001 0.000 0.280 95 E C -1.978 174.711 176.600 0.149 0.000 0.972 95 E CA -1.004 55.441 56.400 0.075 0.000 0.782 95 E CB 1.782 31.548 29.700 0.111 0.000 1.229 95 E HN 0.021 nan 8.360 nan 0.000 0.439 96 A N 2.563 125.395 122.820 0.019 0.000 2.684 96 A HA 0.548 4.868 4.320 -0.001 0.000 0.289 96 A C -1.126 176.493 177.584 0.057 0.000 1.139 96 A CA -0.209 51.811 52.037 -0.029 0.000 0.793 96 A CB 0.675 19.366 19.000 -0.516 0.000 1.334 96 A HN 0.520 nan 8.150 nan 0.000 0.408 97 S N 0.251 116.058 115.700 0.178 0.000 2.595 97 S HA 0.869 5.339 4.470 -0.001 0.000 0.281 97 S C -0.996 173.771 174.600 0.279 0.000 1.117 97 S CA -0.749 57.596 58.200 0.242 0.000 0.873 97 S CB 1.933 65.279 63.200 0.243 0.000 1.108 97 S HN 0.982 nan 8.310 nan 0.000 0.477 98 V N 1.642 121.754 119.914 0.330 0.000 2.531 98 V HA 0.638 4.757 4.120 -0.001 0.000 0.301 98 V C -0.487 175.863 176.094 0.428 0.000 1.034 98 V CA -0.382 62.153 62.300 0.391 0.000 0.865 98 V CB 1.904 33.959 31.823 0.387 0.000 0.995 98 V HN 1.066 nan 8.190 nan 0.000 0.424 99 T N 4.486 119.245 114.554 0.342 0.000 2.792 99 T HA 0.469 4.818 4.350 -0.001 0.000 0.280 99 T C -1.184 173.642 174.700 0.210 0.000 0.990 99 T CA -0.276 61.965 62.100 0.236 0.000 0.960 99 T CB 0.965 69.881 68.868 0.081 0.000 0.939 99 T HN 0.528 nan 8.240 nan 0.000 0.439 100 Y N 2.934 123.227 120.300 -0.012 0.000 2.335 100 Y HA 0.429 4.978 4.550 -0.001 0.000 0.339 100 Y C 1.229 176.945 175.900 -0.306 0.000 0.987 100 Y CA -0.808 57.044 58.100 -0.413 0.000 1.140 100 Y CB 1.206 39.271 38.460 -0.659 0.000 1.173 100 Y HN 0.706 nan 8.280 nan 0.000 0.486 101 T N 0.065 114.069 114.554 -0.916 0.000 3.085 101 T HA 0.188 4.538 4.350 -0.001 0.000 0.264 101 T C 1.616 175.825 174.700 -0.818 0.000 1.019 101 T CA 0.330 62.049 62.100 -0.635 0.000 0.910 101 T CB 0.071 68.722 68.868 -0.363 0.000 1.059 101 T HN 0.758 nan 8.240 nan 0.000 0.542 102 G N 1.150 108.965 108.800 -1.641 0.000 2.470 102 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.220 102 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.220 102 G C 0.621 175.170 174.900 -0.586 0.000 1.121 102 G CA 0.193 44.605 45.100 -1.147 0.000 0.766 102 G HN 0.551 nan 8.290 nan 0.000 0.553 103 F N 0.819 120.627 119.950 -0.238 0.000 2.693 103 F HA 0.254 4.780 4.527 -0.001 0.000 0.303 103 F C 0.993 176.738 175.800 -0.092 0.000 1.143 103 F CA -1.828 56.133 58.000 -0.066 0.000 1.389 103 F CB -1.195 37.822 39.000 0.028 0.000 1.060 103 F HN -0.021 nan 8.300 nan 0.000 0.535 104 N N 3.157 121.838 118.700 -0.032 0.000 2.131 104 N HA -0.121 4.619 4.740 -0.001 0.000 0.276 104 N C -1.026 174.487 175.510 0.006 0.000 1.295 104 N CA -0.285 52.742 53.050 -0.039 0.000 0.818 104 N CB 0.570 39.000 38.487 -0.095 0.000 1.049 104 N HN -0.012 nan 8.380 nan 0.000 0.484 105 P HA 0.001 nan 4.420 nan 0.000 0.241 105 P C -0.444 176.857 177.300 0.003 0.000 1.191 105 P CA 0.250 63.348 63.100 -0.003 0.000 0.771 105 P CB 0.292 31.992 31.700 0.000 0.000 0.929 106 V N 1.645 121.574 119.914 0.025 0.000 2.508 106 V HA 0.086 4.206 4.120 -0.001 0.000 0.281 106 V C 0.378 176.497 176.094 0.041 0.000 1.041 106 V CA -0.152 62.167 62.300 0.030 0.000 1.016 106 V CB 0.004 31.853 31.823 0.043 0.000 0.984 106 V HN 0.099 nan 8.190 nan 0.000 0.478 107 N N 4.455 123.157 118.700 0.004 0.000 2.405 107 N HA 0.674 5.413 4.740 -0.001 0.000 0.299 107 N C -1.225 174.277 175.510 -0.014 0.000 1.075 107 N CA -0.730 52.309 53.050 -0.017 0.000 0.884 107 N CB 1.840 40.303 38.487 -0.041 0.000 1.194 107 N HN 0.518 nan 8.380 nan 0.000 0.491 108 L N 1.806 123.040 121.223 0.019 0.000 2.325 108 L HA 0.477 4.816 4.340 -0.001 0.000 0.281 108 L C -0.226 176.540 176.870 -0.173 0.000 1.004 108 L CA -0.621 54.173 54.840 -0.076 0.000 0.823 108 L CB 1.482 43.615 42.059 0.124 0.000 1.236 108 L HN 0.414 nan 8.230 nan 0.000 0.415 109 K N 3.286 123.435 120.400 -0.419 0.000 2.270 109 K HA 0.684 5.004 4.320 -0.001 0.000 0.255 109 K C -1.641 174.689 176.600 -0.449 0.000 0.936 109 K CA -0.442 55.640 56.287 -0.343 0.000 0.809 109 K CB 1.416 33.616 32.500 -0.499 0.000 1.131 109 K HN 0.284 nan 8.250 nan 0.000 0.427 110 F N 1.928 121.970 119.950 0.153 0.000 2.540 110 F HA 0.641 5.168 4.527 -0.001 0.000 0.317 110 F C 0.818 176.807 175.800 0.314 0.000 1.104 110 F CA 0.015 58.175 58.000 0.266 0.000 0.913 110 F CB 2.421 41.536 39.000 0.192 0.000 1.170 110 F HN 0.841 nan 8.300 nan 0.000 0.450 111 G N 2.082 111.176 108.800 0.490 0.000 2.301 111 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.194 111 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.194 111 G C -1.518 173.457 174.900 0.124 0.000 1.266 111 G CA -1.175 44.074 45.100 0.247 0.000 1.210 111 G HN 0.742 nan 8.290 nan 0.000 0.524 112 R N 0.626 121.146 120.500 0.034 0.000 2.229 112 R HA 0.696 5.035 4.340 -0.001 0.000 0.332 112 R C -0.610 175.707 176.300 0.028 0.000 0.989 112 R CA -0.514 55.525 56.100 -0.101 0.000 0.842 112 R CB 0.082 30.247 30.300 -0.225 0.000 1.119 112 R HN 0.978 nan 8.270 nan 0.000 0.456 113 F N 1.000 120.965 119.950 0.025 0.000 2.713 113 F HA 0.401 4.928 4.527 -0.001 0.000 0.311 113 F C -1.702 173.937 175.800 -0.269 0.000 1.141 113 F CA -1.651 56.268 58.000 -0.134 0.000 0.939 113 F CB 0.607 39.606 39.000 -0.002 0.000 1.325 113 F HN 0.184 nan 8.300 nan 0.000 0.453 114 Y N 1.098 121.469 120.300 0.120 0.000 2.465 114 Y HA 0.376 4.926 4.550 -0.001 0.000 0.331 114 Y C 1.175 177.058 175.900 -0.028 0.000 1.102 114 Y CA -0.348 57.709 58.100 -0.072 0.000 1.358 114 Y CB 0.436 38.874 38.460 -0.036 0.000 1.213 114 Y HN 0.747 nan 8.280 nan 0.000 0.525 115 T N -0.932 113.503 114.554 -0.199 0.000 2.926 115 T HA 0.009 4.359 4.350 -0.001 0.000 0.307 115 T C -0.216 174.500 174.700 0.026 0.000 1.059 115 T CA -0.886 61.140 62.100 -0.124 0.000 1.122 115 T CB 0.716 69.362 68.868 -0.370 0.000 0.972 115 T HN 0.543 nan 8.240 nan 0.000 0.545 116 D N 1.637 122.093 120.400 0.093 0.000 2.422 116 D HA 0.319 4.958 4.640 -0.001 0.000 0.227 116 D C -1.426 174.951 176.300 0.128 0.000 1.190 116 D CA -0.474 53.595 54.000 0.115 0.000 0.905 116 D CB -0.600 40.288 40.800 0.146 0.000 1.034 116 D HN 0.548 nan 8.370 nan 0.000 0.507 117 F N 2.992 122.896 119.950 -0.076 0.000 2.831 117 F HA 0.500 5.026 4.527 -0.001 0.000 0.346 117 F C -0.098 175.652 175.800 -0.083 0.000 1.224 117 F CA 0.143 58.089 58.000 -0.090 0.000 1.048 117 F CB 1.209 40.084 39.000 -0.209 0.000 1.339 117 F HN 0.472 nan 8.300 nan 0.000 0.514 118 G N 5.112 113.935 108.800 0.039 0.000 3.233 118 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.686 118 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.686 118 G C -0.272 174.770 174.900 0.237 0.000 1.153 118 G CA -0.432 44.812 45.100 0.241 0.000 0.853 118 G HN 1.136 nan 8.290 nan 0.000 0.582 119 L N 1.425 122.805 121.223 0.261 0.000 2.012 119 L HA 0.053 4.392 4.340 -0.001 0.000 0.210 119 L C 2.377 179.386 176.870 0.231 0.000 1.073 119 L CA 3.167 58.137 54.840 0.217 0.000 0.748 119 L CB -0.407 41.746 42.059 0.156 0.000 0.891 119 L HN 0.868 nan 8.230 nan 0.000 0.431 120 E N -0.887 119.502 120.200 0.314 0.000 2.150 120 E HA -0.270 4.079 4.350 -0.001 0.000 0.193 120 E C 2.029 178.752 176.600 0.205 0.000 0.985 120 E CA 0.864 57.400 56.400 0.226 0.000 0.814 120 E CB 0.062 29.815 29.700 0.088 0.000 0.752 120 E HN 0.288 nan 8.360 nan 0.000 0.466 121 K N 0.577 121.128 120.400 0.253 0.000 2.103 121 K HA 0.012 4.332 4.320 -0.001 0.000 0.204 121 K C 1.646 178.222 176.600 -0.039 0.000 1.052 121 K CA 1.205 57.487 56.287 -0.009 0.000 0.945 121 K CB -0.337 31.961 32.500 -0.336 0.000 0.722 121 K HN 0.127 nan 8.250 nan 0.000 0.443 122 A N 0.007 122.844 122.820 0.028 0.000 1.969 122 A HA -0.024 4.295 4.320 -0.001 0.000 0.218 122 A C 0.900 178.487 177.584 0.006 0.000 1.169 122 A CA 1.292 53.337 52.037 0.014 0.000 0.635 122 A CB -0.862 18.150 19.000 0.020 0.000 0.810 122 A HN 0.316 nan 8.150 nan 0.000 0.445 123 T N 1.569 116.148 114.554 0.041 0.000 2.867 123 T HA 0.240 4.589 4.350 -0.001 0.000 0.297 123 T C 0.469 175.192 174.700 0.038 0.000 0.989 123 T CA 0.392 62.533 62.100 0.068 0.000 1.159 123 T CB 0.428 69.370 68.868 0.123 0.000 0.928 123 T HN 0.391 nan 8.240 nan 0.000 0.538 124 S N 2.668 118.407 115.700 0.065 0.000 2.573 124 S HA -0.032 4.438 4.470 -0.001 0.000 0.297 124 S C 1.734 176.281 174.600 -0.090 0.000 1.280 124 S CA -0.098 58.104 58.200 0.003 0.000 1.061 124 S CB 0.195 63.422 63.200 0.045 0.000 0.812 124 S HN 0.843 nan 8.310 nan 0.000 0.500 125 S N 4.390 120.006 115.700 -0.140 0.000 2.500 125 S HA -0.081 4.389 4.470 -0.001 0.000 0.239 125 S C 1.423 175.820 174.600 -0.338 0.000 0.989 125 S CA 0.783 58.866 58.200 -0.194 0.000 0.951 125 S CB -0.272 62.830 63.200 -0.164 0.000 0.759 125 S HN 0.825 nan 8.310 nan 0.000 0.523 126 K N 0.064 120.133 120.400 -0.551 0.000 2.148 126 K HA -0.033 4.286 4.320 -0.001 0.000 0.204 126 K C 0.850 176.869 176.600 -0.969 0.000 1.050 126 K CA 1.474 57.148 56.287 -1.022 0.000 0.942 126 K CB -0.172 31.335 32.500 -1.656 0.000 0.724 126 K HN 0.683 nan 8.250 nan 0.000 0.446 127 W N 0.273 121.543 121.300 -0.049 0.000 2.714 127 W HA 0.210 4.869 4.660 -0.001 0.000 0.353 127 W C -0.243 176.245 176.519 -0.052 0.000 0.999 127 W CA -0.774 56.559 57.345 -0.020 0.000 1.629 127 W CB 0.473 29.933 29.460 -0.001 0.000 1.106 127 W HN -0.329 nan 8.180 nan 0.000 0.545 128 V N 2.227 122.164 119.914 0.038 0.000 2.557 128 V HA -0.136 3.984 4.120 -0.001 0.000 0.301 128 V C 1.363 177.379 176.094 -0.130 0.000 1.026 128 V CA 1.412 63.682 62.300 -0.051 0.000 1.137 128 V CB 0.788 32.550 31.823 -0.101 0.000 0.917 128 V HN 0.210 nan 8.190 nan 0.000 0.484 129 T N 3.821 118.235 114.554 -0.233 0.000 2.708 129 T HA -0.037 4.312 4.350 -0.001 0.000 0.266 129 T C 0.971 175.199 174.700 -0.786 0.000 1.037 129 T CA 1.303 63.140 62.100 -0.439 0.000 1.146 129 T CB -0.012 68.538 68.868 -0.530 0.000 0.865 129 T HN 0.868 nan 8.240 nan 0.000 0.435 130 A N 0.541 122.893 122.820 -0.781 0.000 2.287 130 A HA 0.574 4.893 4.320 -0.001 0.000 0.273 130 A C 1.353 178.813 177.584 -0.208 0.000 1.091 130 A CA -0.495 51.213 52.037 -0.549 0.000 0.817 130 A CB 0.218 19.047 19.000 -0.284 0.000 1.069 130 A HN 0.399 nan 8.150 nan 0.000 0.492 131 L N -0.464 120.732 121.223 -0.044 0.000 2.217 131 L HA 0.017 4.356 4.340 -0.001 0.000 0.211 131 L C 0.368 177.199 176.870 -0.065 0.000 1.107 131 L CA 0.940 55.753 54.840 -0.046 0.000 0.783 131 L CB -0.197 41.860 42.059 -0.003 0.000 0.919 131 L HN 0.586 nan 8.230 nan 0.000 0.442 132 E N -0.495 119.661 120.200 -0.074 0.000 2.288 132 E HA 0.402 4.751 4.350 -0.001 0.000 0.268 132 E C -0.596 175.920 176.600 -0.141 0.000 0.885 132 E CA -0.626 55.719 56.400 -0.091 0.000 0.767 132 E CB 1.916 31.568 29.700 -0.080 0.000 1.220 132 E HN 0.035 nan 8.360 nan 0.000 0.427 133 R N 1.278 121.695 120.500 -0.137 0.000 2.726 133 R HA 0.153 4.492 4.340 -0.001 0.000 0.272 133 R C 0.931 177.050 176.300 -0.301 0.000 1.097 133 R CA -0.396 55.586 56.100 -0.198 0.000 1.198 133 R CB 0.350 30.622 30.300 -0.046 0.000 1.114 133 R HN 0.603 nan 8.270 nan 0.000 0.550 134 N N 1.160 119.533 118.700 -0.546 0.000 2.371 134 N HA -0.060 4.679 4.740 -0.001 0.000 0.243 134 N C 0.868 176.121 175.510 -0.428 0.000 1.287 134 N CA -0.065 52.629 53.050 -0.594 0.000 0.911 134 N CB 0.725 38.624 38.487 -0.980 0.000 1.142 134 N HN 0.472 nan 8.380 nan 0.000 0.451 135 L N -0.089 120.943 121.223 -0.318 0.000 2.275 135 L HA -0.153 4.186 4.340 -0.001 0.000 0.215 135 L C 2.606 179.349 176.870 -0.213 0.000 1.119 135 L CA 1.522 56.215 54.840 -0.246 0.000 0.790 135 L CB -0.743 41.168 42.059 -0.247 0.000 0.919 135 L HN 0.802 nan 8.230 nan 0.000 0.443 136 T N -3.536 110.890 114.554 -0.214 0.000 2.915 136 T HA -0.202 4.147 4.350 -0.001 0.000 0.269 136 T C 1.704 176.396 174.700 -0.015 0.000 1.071 136 T CA 0.838 62.873 62.100 -0.109 0.000 1.132 136 T CB -0.381 68.474 68.868 -0.022 0.000 0.878 136 T HN 0.197 nan 8.240 nan 0.000 0.479 137 Y N 2.063 122.301 120.300 -0.102 0.000 2.439 137 Y HA 0.136 4.686 4.550 -0.001 0.000 0.292 137 Y C 2.063 177.868 175.900 -0.158 0.000 1.130 137 Y CA -0.334 57.680 58.100 -0.143 0.000 1.254 137 Y CB -0.903 37.482 38.460 -0.125 0.000 1.000 137 Y HN 0.284 nan 8.280 nan 0.000 0.554 138 D N 0.238 120.626 120.400 -0.021 0.000 2.219 138 D HA -0.101 4.538 4.640 -0.001 0.000 0.205 138 D C 1.990 178.229 176.300 -0.101 0.000 0.970 138 D CA 1.241 55.190 54.000 -0.084 0.000 0.851 138 D CB -0.295 40.412 40.800 -0.155 0.000 0.943 138 D HN 0.558 nan 8.370 nan 0.000 0.488 139 I N -3.203 117.305 120.570 -0.103 0.000 3.793 139 I HA 0.375 4.544 4.170 -0.001 0.000 0.315 139 I C 0.557 176.627 176.117 -0.079 0.000 1.275 139 I CA 0.017 61.263 61.300 -0.090 0.000 1.214 139 I CB 0.393 38.340 38.000 -0.088 0.000 1.018 139 I HN -0.153 nan 8.210 nan 0.000 0.439 140 A N 1.993 124.736 122.820 -0.128 0.000 3.448 140 A HA 0.230 4.549 4.320 -0.001 0.000 0.232 140 A C 0.661 178.016 177.584 -0.382 0.000 1.018 140 A CA -0.138 51.732 52.037 -0.277 0.000 0.996 140 A CB -0.386 18.348 19.000 -0.444 0.000 1.283 140 A HN 0.400 nan 8.150 nan 0.000 0.586 141 D N 0.699 121.013 120.400 -0.144 0.000 2.158 141 D HA -0.267 4.372 4.640 -0.001 0.000 0.197 141 D C 1.567 177.785 176.300 -0.136 0.000 0.995 141 D CA 1.817 55.756 54.000 -0.101 0.000 0.846 141 D CB -0.520 40.282 40.800 0.003 0.000 0.941 141 D HN 0.806 nan 8.370 nan 0.000 0.456 142 W N 2.001 123.190 121.300 -0.185 0.000 2.678 142 W HA 0.053 4.712 4.660 -0.001 0.000 0.256 142 W C 1.701 178.073 176.519 -0.246 0.000 1.280 142 W CA 1.050 58.284 57.345 -0.184 0.000 1.345 142 W CB -1.027 28.328 29.460 -0.174 0.000 1.118 142 W HN 0.008 nan 8.180 nan 0.000 0.629 143 V N 1.788 121.076 119.914 -1.044 0.000 2.626 143 V HA -0.169 3.951 4.120 -0.001 0.000 0.252 143 V C 1.049 176.795 176.094 -0.581 0.000 1.067 143 V CA 2.276 63.886 62.300 -1.150 0.000 1.081 143 V CB -1.219 29.562 31.823 -1.737 0.000 0.686 143 V HN 0.288 nan 8.190 nan 0.000 0.468 144 N N 0.252 118.682 118.700 -0.451 0.000 2.307 144 N HA 0.128 4.868 4.740 -0.001 0.000 0.248 144 N C -0.382 175.054 175.510 -0.124 0.000 1.322 144 N CA 0.019 52.903 53.050 -0.276 0.000 0.861 144 N CB -0.400 37.891 38.487 -0.327 0.000 1.303 144 N HN 0.720 nan 8.380 nan 0.000 0.498 145 D N 0.048 120.388 120.400 -0.100 0.000 2.383 145 D HA 0.138 4.778 4.640 -0.001 0.000 0.248 145 D C 0.486 176.774 176.300 -0.020 0.000 1.170 145 D CA -0.484 53.557 54.000 0.069 0.000 0.977 145 D CB 0.524 41.355 40.800 0.052 0.000 1.120 145 D HN 0.162 nan 8.370 nan 0.000 0.481 146 N N -0.136 118.549 118.700 -0.026 0.000 2.328 146 N HA 0.039 4.778 4.740 -0.001 0.000 0.247 146 N C -0.768 174.790 175.510 0.081 0.000 1.165 146 N CA -0.489 52.445 53.050 -0.192 0.000 0.873 146 N CB 0.046 38.133 38.487 -0.665 0.000 1.125 146 N HN 0.191 nan 8.380 nan 0.000 0.513 147 V N 0.370 120.382 119.914 0.162 0.000 2.071 147 V HA 0.688 4.807 4.120 -0.001 0.000 0.254 147 V C 0.958 177.124 176.094 0.119 0.000 1.456 147 V CA 0.218 62.583 62.300 0.109 0.000 1.383 147 V CB -0.804 31.063 31.823 0.073 0.000 1.433 147 V HN 0.659 nan 8.190 nan 0.000 0.499 148 G N 2.175 110.954 108.800 -0.036 0.000 2.351 148 G HA2 0.409 4.369 3.960 -0.001 0.000 0.279 148 G HA3 0.409 4.369 3.960 -0.001 0.000 0.279 148 G C -0.879 173.453 174.900 -0.947 0.000 1.297 148 G CA -0.238 44.556 45.100 -0.510 0.000 0.886 148 G HN 0.262 nan 8.290 nan 0.000 0.493 149 T N -0.467 113.293 114.554 -1.324 0.000 2.952 149 T HA 0.817 5.166 4.350 -0.001 0.000 0.305 149 T C 0.186 174.336 174.700 -0.916 0.000 1.064 149 T CA 0.220 61.781 62.100 -0.898 0.000 1.008 149 T CB 1.654 70.274 68.868 -0.412 0.000 1.078 149 T HN 1.886 nan 8.240 nan 0.000 0.459 150 G N 1.150 109.680 108.800 -0.451 0.000 2.706 150 G HA2 0.774 4.734 3.960 -0.001 0.000 0.307 150 G HA3 0.774 4.734 3.960 -0.001 0.000 0.307 150 G C -1.972 173.110 174.900 0.303 0.000 1.307 150 G CA -0.739 44.342 45.100 -0.031 0.000 0.790 150 G HN 0.749 nan 8.290 nan 0.000 0.503 151 I N 0.366 121.121 120.570 0.309 0.000 2.533 151 I HA 0.469 4.639 4.170 -0.001 0.000 0.290 151 I C -0.643 175.562 176.117 0.147 0.000 1.056 151 I CA -0.558 60.819 61.300 0.127 0.000 1.057 151 I CB 2.455 40.450 38.000 -0.008 0.000 1.240 151 I HN 0.451 nan 8.210 nan 0.000 0.423 152 Q N 4.407 124.162 119.800 -0.074 0.000 2.356 152 Q HA 0.811 5.151 4.340 -0.001 0.000 0.270 152 Q C -1.629 174.253 176.000 -0.197 0.000 1.058 152 Q CA -0.742 54.998 55.803 -0.105 0.000 0.802 152 Q CB 2.697 31.270 28.738 -0.274 0.000 1.303 152 Q HN 0.821 nan 8.270 nan 0.000 0.444 153 A N 2.175 124.927 122.820 -0.114 0.000 2.330 153 A HA 0.818 5.138 4.320 -0.001 0.000 0.327 153 A C -0.932 176.577 177.584 -0.125 0.000 1.155 153 A CA -0.296 51.677 52.037 -0.107 0.000 0.803 153 A CB 1.394 20.352 19.000 -0.069 0.000 1.208 153 A HN 0.773 nan 8.150 nan 0.000 0.477 154 S N 0.409 116.034 115.700 -0.124 0.000 2.579 154 S HA 0.863 5.332 4.470 -0.001 0.000 0.272 154 S C -0.714 173.799 174.600 -0.145 0.000 1.141 154 S CA -0.347 57.732 58.200 -0.201 0.000 0.843 154 S CB 1.643 64.789 63.200 -0.091 0.000 1.122 154 S HN 1.743 nan 8.310 nan 0.000 0.468 155 S N 0.570 116.115 115.700 -0.257 0.000 2.548 155 S HA 0.503 4.972 4.470 -0.001 0.000 0.278 155 S C -1.251 173.325 174.600 -0.040 0.000 1.150 155 S CA -0.586 57.559 58.200 -0.092 0.000 0.907 155 S CB 1.314 64.460 63.200 -0.089 0.000 1.108 155 S HN 0.967 nan 8.310 nan 0.000 0.459 156 V N 4.204 124.194 119.914 0.126 0.000 2.572 156 V HA 0.343 4.463 4.120 -0.001 0.000 0.291 156 V C -0.094 176.020 176.094 0.033 0.000 1.039 156 V CA -0.077 62.301 62.300 0.129 0.000 1.055 156 V CB 1.175 33.044 31.823 0.076 0.000 0.969 156 V HN 0.650 nan 8.190 nan 0.000 0.482 157 V N 4.104 124.034 119.914 0.027 0.000 2.409 157 V HA 0.647 4.767 4.120 -0.001 0.000 0.291 157 V C 0.931 177.044 176.094 0.032 0.000 1.020 157 V CA 0.230 62.537 62.300 0.013 0.000 0.848 157 V CB 0.939 32.760 31.823 -0.003 0.000 0.990 157 V HN 1.157 nan 8.190 nan 0.000 0.430 158 G N 3.759 112.574 108.800 0.026 0.000 2.258 158 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.274 158 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.274 158 G C 1.214 176.142 174.900 0.046 0.000 1.021 158 G CA 0.669 45.792 45.100 0.039 0.000 0.798 158 G HN 2.308 nan 8.290 nan 0.000 0.507 159 G N -1.593 107.218 108.800 0.019 0.000 2.200 159 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.267 159 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.267 159 G C 0.921 175.805 174.900 -0.027 0.000 0.993 159 G CA 1.530 46.626 45.100 -0.007 0.000 0.701 159 G HN 1.101 nan 8.290 nan 0.000 0.524 160 M N -0.949 118.660 119.600 0.014 0.000 2.231 160 M HA 0.511 4.991 4.480 -0.001 0.000 0.347 160 M C 0.635 176.967 176.300 0.053 0.000 0.901 160 M CA 0.812 56.143 55.300 0.051 0.000 1.064 160 M CB 1.176 33.888 32.600 0.187 0.000 1.861 160 M HN 0.636 nan 8.290 nan 0.000 0.638 161 A N 0.315 123.178 122.820 0.072 0.000 2.587 161 A HA 0.789 5.109 4.320 -0.001 0.000 0.293 161 A C -2.128 175.543 177.584 0.146 0.000 1.087 161 A CA -0.458 51.659 52.037 0.135 0.000 0.692 161 A CB 1.649 20.764 19.000 0.191 0.000 1.291 161 A HN 0.175 nan 8.150 nan 0.000 0.407 162 F N 0.805 120.741 119.950 -0.024 0.000 2.547 162 F HA 0.774 5.301 4.527 -0.001 0.000 0.316 162 F C -1.538 174.248 175.800 -0.022 0.000 1.121 162 F CA -0.867 57.109 58.000 -0.039 0.000 0.911 162 F CB 1.516 40.480 39.000 -0.060 0.000 1.179 162 F HN 0.502 nan 8.300 nan 0.000 0.443 163 L N 5.138 125.865 121.223 -0.826 0.000 2.408 163 L HA 0.768 5.107 4.340 -0.001 0.000 0.268 163 L C -0.806 175.544 176.870 -0.866 0.000 0.986 163 L CA -0.775 53.691 54.840 -0.623 0.000 0.820 163 L CB 2.243 44.121 42.059 -0.301 0.000 1.303 163 L HN 0.726 nan 8.230 nan 0.000 0.411 164 S N 0.662 116.063 115.700 -0.498 0.000 2.588 164 S HA 0.981 5.450 4.470 -0.001 0.000 0.275 164 S C -0.676 173.857 174.600 -0.113 0.000 1.130 164 S CA -0.576 57.442 58.200 -0.304 0.000 0.855 164 S CB 2.461 65.554 63.200 -0.179 0.000 1.116 164 S HN 0.930 nan 8.310 nan 0.000 0.472 165 G N 0.318 109.085 108.800 -0.056 0.000 2.742 165 G HA2 0.670 4.630 3.960 -0.001 0.000 0.296 165 G HA3 0.670 4.630 3.960 -0.001 0.000 0.296 165 G C -1.086 173.846 174.900 0.054 0.000 1.436 165 G CA -0.276 44.837 45.100 0.021 0.000 0.928 165 G HN 1.605 nan 8.290 nan 0.000 0.520 166 S N -1.153 114.611 115.700 0.107 0.000 2.579 166 S HA 0.802 5.272 4.470 -0.001 0.000 0.272 166 S C -1.404 173.264 174.600 0.112 0.000 1.141 166 S CA -0.893 57.390 58.200 0.139 0.000 0.843 166 S CB 1.957 65.294 63.200 0.230 0.000 1.122 166 S HN 1.666 nan 8.310 nan 0.000 0.468 167 V N 2.233 122.193 119.914 0.076 0.000 2.555 167 V HA 0.851 4.971 4.120 -0.001 0.000 0.302 167 V C -1.940 174.179 176.094 0.041 0.000 1.038 167 V CA -0.766 61.462 62.300 -0.120 0.000 0.887 167 V CB 1.446 33.171 31.823 -0.163 0.000 0.991 167 V HN 0.887 nan 8.190 nan 0.000 0.434 168 F N 4.626 124.419 119.950 -0.260 0.000 2.557 168 F HA 0.515 5.041 4.527 -0.001 0.000 0.316 168 F C 0.178 175.860 175.800 -0.196 0.000 1.141 168 F CA -0.403 57.474 58.000 -0.205 0.000 0.922 168 F CB 2.234 41.115 39.000 -0.198 0.000 1.194 168 F HN 0.480 nan 8.300 nan 0.000 0.443 169 S N 5.343 120.794 115.700 -0.415 0.000 2.416 169 S HA 0.218 4.687 4.470 -0.001 0.000 0.302 169 S C -0.070 174.305 174.600 -0.373 0.000 1.120 169 S CA -0.457 57.551 58.200 -0.321 0.000 1.067 169 S CB -0.337 62.699 63.200 -0.273 0.000 1.057 169 S HN 0.684 nan 8.310 nan 0.000 0.518 170 E N 3.399 123.495 120.200 -0.173 0.000 2.390 170 E HA 0.076 4.426 4.350 -0.001 0.000 0.261 170 E C 0.241 176.771 176.600 -0.117 0.000 1.076 170 E CA -0.404 55.940 56.400 -0.093 0.000 0.905 170 E CB 0.328 30.010 29.700 -0.030 0.000 0.984 170 E HN 0.612 nan 8.360 nan 0.000 0.427 171 N N 1.911 120.558 118.700 -0.087 0.000 2.466 171 N HA 0.006 4.746 4.740 -0.001 0.000 0.211 171 N C -0.994 174.482 175.510 -0.058 0.000 1.256 171 N CA 0.267 53.270 53.050 -0.077 0.000 0.840 171 N CB -0.312 38.136 38.487 -0.065 0.000 1.079 171 N HN 0.333 nan 8.380 nan 0.000 0.466 172 N N -0.172 118.491 118.700 -0.063 0.000 2.399 172 N HA 0.277 5.017 4.740 -0.001 0.000 0.295 172 N C -0.832 174.644 175.510 -0.057 0.000 1.048 172 N CA -0.527 52.489 53.050 -0.058 0.000 0.886 172 N CB 1.415 39.857 38.487 -0.075 0.000 1.185 172 N HN 0.042 nan 8.380 nan 0.000 0.487 173 N N 0.286 118.960 118.700 -0.043 0.000 2.370 173 N HA 0.189 4.929 4.740 -0.001 0.000 0.303 173 N C -1.120 174.373 175.510 -0.029 0.000 1.103 173 N CA -0.860 52.168 53.050 -0.037 0.000 0.848 173 N CB 1.279 39.747 38.487 -0.031 0.000 1.235 173 N HN 0.622 nan 8.380 nan 0.000 0.496 174 D N -0.848 119.537 120.400 -0.024 0.000 2.447 174 D HA 0.013 4.652 4.640 -0.001 0.000 0.265 174 D C 1.301 177.593 176.300 -0.013 0.000 1.250 174 D CA -0.315 53.676 54.000 -0.016 0.000 1.046 174 D CB -0.155 40.639 40.800 -0.010 0.000 1.095 174 D HN 0.558 nan 8.370 nan 0.000 0.555 175 T N -3.504 111.045 114.554 -0.009 0.000 2.929 175 T HA -0.137 4.212 4.350 -0.001 0.000 0.271 175 T C 0.753 175.448 174.700 -0.009 0.000 1.085 175 T CA 1.006 63.101 62.100 -0.009 0.000 1.125 175 T CB -0.327 68.536 68.868 -0.008 0.000 0.874 175 T HN 0.312 nan 8.240 nan 0.000 0.494 176 D N 1.270 121.665 120.400 -0.008 0.000 2.340 176 D HA 0.233 4.873 4.640 -0.001 0.000 0.220 176 D C 1.646 177.939 176.300 -0.011 0.000 1.039 176 D CA 0.743 54.739 54.000 -0.008 0.000 0.866 176 D CB -0.249 40.548 40.800 -0.004 0.000 0.913 176 D HN 0.635 nan 8.370 nan 0.000 0.523 177 G N 1.743 110.534 108.800 -0.015 0.000 2.160 177 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.251 177 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.251 177 G C -0.098 174.788 174.900 -0.023 0.000 1.008 177 G CA 0.090 45.178 45.100 -0.020 0.000 0.724 177 G HN 0.307 nan 8.290 nan 0.000 0.514 178 D N 0.994 121.382 120.400 -0.020 0.000 2.225 178 D HA 0.529 5.168 4.640 -0.001 0.000 0.248 178 D C 1.076 177.358 176.300 -0.030 0.000 1.096 178 D CA 0.452 54.439 54.000 -0.021 0.000 0.863 178 D CB 0.943 41.737 40.800 -0.009 0.000 1.156 178 D HN 0.460 nan 8.370 nan 0.000 0.450 179 S N 1.910 117.585 115.700 -0.043 0.000 2.562 179 S HA 0.172 4.642 4.470 -0.001 0.000 0.281 179 S C 0.341 174.907 174.600 -0.056 0.000 1.333 179 S CA -0.972 57.192 58.200 -0.060 0.000 1.052 179 S CB 0.855 64.002 63.200 -0.087 0.000 0.884 179 S HN 0.271 nan 8.310 nan 0.000 0.506 180 V N 3.907 123.779 119.914 -0.069 0.000 2.599 180 V HA 0.109 4.228 4.120 -0.001 0.000 0.300 180 V C 0.453 176.500 176.094 -0.079 0.000 1.034 180 V CA 0.138 62.390 62.300 -0.080 0.000 1.115 180 V CB -0.036 31.712 31.823 -0.124 0.000 0.934 180 V HN 0.760 nan 8.190 nan 0.000 0.485 181 K N 5.457 125.827 120.400 -0.049 0.000 2.240 181 K HA 0.450 4.769 4.320 -0.001 0.000 0.271 181 K C -0.231 176.298 176.600 -0.118 0.000 1.018 181 K CA -0.522 55.710 56.287 -0.092 0.000 0.874 181 K CB 1.556 34.037 32.500 -0.031 0.000 1.098 181 K HN 0.600 nan 8.250 nan 0.000 0.458 182 R N 2.652 123.052 120.500 -0.166 0.000 2.346 182 R HA 0.321 4.660 4.340 -0.001 0.000 0.311 182 R C -1.094 175.086 176.300 -0.200 0.000 0.983 182 R CA -0.426 55.653 56.100 -0.036 0.000 0.880 182 R CB 0.621 30.998 30.300 0.130 0.000 1.100 182 R HN 0.448 nan 8.270 nan 0.000 0.453 183 Y N 2.419 122.820 120.300 0.167 0.000 2.364 183 Y HA 0.415 4.965 4.550 -0.001 0.000 0.340 183 Y C 0.041 175.994 175.900 0.089 0.000 0.975 183 Y CA -0.717 57.473 58.100 0.150 0.000 1.089 183 Y CB 2.056 40.633 38.460 0.195 0.000 1.192 183 Y HN 0.495 nan 8.280 nan 0.000 0.454 184 N N 3.896 122.711 118.700 0.191 0.000 2.225 184 N HA 0.645 5.385 4.740 -0.001 0.000 0.298 184 N C -1.677 173.909 175.510 0.126 0.000 1.076 184 N CA -0.618 52.499 53.050 0.112 0.000 0.792 184 N CB 2.644 41.170 38.487 0.064 0.000 1.498 184 N HN 0.505 nan 8.380 nan 0.000 0.474 185 L N 1.225 122.515 121.223 0.110 0.000 2.422 185 L HA 0.584 4.923 4.340 -0.001 0.000 0.264 185 L C -0.454 176.438 176.870 0.037 0.000 0.984 185 L CA -0.649 54.238 54.840 0.078 0.000 0.819 185 L CB 2.957 45.079 42.059 0.104 0.000 1.330 185 L HN 0.386 nan 8.230 nan 0.000 0.410 186 R N 1.096 121.597 120.500 0.000 0.000 2.584 186 R HA 0.728 5.067 4.340 -0.001 0.000 0.276 186 R C -1.349 174.937 176.300 -0.023 0.000 1.046 186 R CA -0.499 55.594 56.100 -0.010 0.000 0.906 186 R CB 2.350 32.660 30.300 0.017 0.000 1.215 186 R HN 0.761 nan 8.270 nan 0.000 0.449 187 G N 2.178 110.985 108.800 0.011 0.000 2.707 187 G HA2 0.536 4.495 3.960 -0.001 0.000 0.299 187 G HA3 0.536 4.495 3.960 -0.001 0.000 0.299 187 G C -1.637 173.295 174.900 0.055 0.000 1.442 187 G CA -0.357 44.751 45.100 0.013 0.000 1.009 187 G HN 0.349 nan 8.290 nan 0.000 0.515 188 V N 2.711 122.669 119.914 0.073 0.000 2.531 188 V HA 0.453 4.573 4.120 -0.001 0.000 0.301 188 V C -1.102 175.044 176.094 0.087 0.000 1.034 188 V CA -0.845 61.460 62.300 0.009 0.000 0.865 188 V CB 1.676 33.431 31.823 -0.112 0.000 0.995 188 V HN 0.700 nan 8.190 nan 0.000 0.424 189 F N 5.002 124.902 119.950 -0.083 0.000 2.390 189 F HA 0.718 5.245 4.527 -0.001 0.000 0.361 189 F C 0.398 176.166 175.800 -0.054 0.000 1.124 189 F CA -1.101 56.875 58.000 -0.040 0.000 1.149 189 F CB 0.950 39.943 39.000 -0.013 0.000 1.160 189 F HN 0.525 nan 8.300 nan 0.000 0.501 190 A N 9.202 131.798 122.820 -0.372 0.000 2.978 190 A HA 0.434 4.754 4.320 -0.001 0.000 0.341 190 A C -2.082 175.303 177.584 -0.331 0.000 1.105 190 A CA -1.119 50.717 52.037 -0.335 0.000 0.819 190 A CB -0.090 18.860 19.000 -0.082 0.000 1.080 190 A HN 0.544 nan 8.150 nan 0.000 0.476 191 P HA -0.050 nan 4.420 nan 0.000 0.222 191 P C 0.110 177.332 177.300 -0.130 0.000 1.147 191 P CA 0.945 63.813 63.100 -0.387 0.000 0.790 191 P CB 0.246 31.665 31.700 -0.468 0.000 0.780 192 L N 1.205 122.333 121.223 -0.159 0.000 2.349 192 L HA 0.380 4.719 4.340 -0.001 0.000 0.278 192 L C 0.743 177.481 176.870 -0.221 0.000 0.996 192 L CA -0.618 54.095 54.840 -0.212 0.000 0.825 192 L CB 1.468 43.444 42.059 -0.139 0.000 1.243 192 L HN 0.110 nan 8.230 nan 0.000 0.412 193 H N 0.353 119.332 119.070 -0.151 0.000 3.074 193 H HA 0.419 4.974 4.556 -0.001 0.000 0.227 193 H C -0.950 174.387 175.328 0.015 0.000 1.365 193 H CA -0.586 55.382 56.048 -0.132 0.000 1.078 193 H CB 0.499 30.300 29.762 0.065 0.000 2.347 193 H HN 0.436 nan 8.280 nan 0.000 0.567 194 E N 1.708 121.837 120.200 -0.117 0.000 2.263 194 E HA 0.355 4.705 4.350 -0.001 0.000 0.264 194 E C -2.831 173.760 176.600 -0.016 0.000 0.923 194 E CA -2.355 54.023 56.400 -0.037 0.000 0.802 194 E CB 2.282 31.922 29.700 -0.100 0.000 1.228 194 E HN 0.137 nan 8.360 nan 0.000 0.417 195 P HA 0.002 nan 4.420 nan 0.000 0.260 195 P C 0.650 177.937 177.300 -0.021 0.000 1.185 195 P CA 1.148 64.260 63.100 0.019 0.000 0.763 195 P CB 0.118 31.810 31.700 -0.013 0.000 0.776 196 G N 2.415 111.205 108.800 -0.017 0.000 2.148 196 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.254 196 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.254 196 G C 0.316 175.163 174.900 -0.090 0.000 0.981 196 G CA 0.121 45.185 45.100 -0.061 0.000 0.670 196 G HN 0.672 nan 8.290 nan 0.000 0.528 197 N N -0.696 117.947 118.700 -0.096 0.000 2.732 197 N HA 0.436 5.176 4.740 -0.001 0.000 0.235 197 N C -0.952 174.470 175.510 -0.147 0.000 1.466 197 N CA -0.069 52.917 53.050 -0.106 0.000 0.751 197 N CB 1.085 39.518 38.487 -0.090 0.000 1.317 197 N HN 0.260 nan 8.380 nan 0.000 0.525 198 V N 1.285 121.107 119.914 -0.153 0.000 2.588 198 V HA 0.615 4.734 4.120 -0.001 0.000 0.304 198 V C -0.426 175.657 176.094 -0.018 0.000 1.042 198 V CA -0.772 61.386 62.300 -0.237 0.000 0.877 198 V CB 1.991 33.571 31.823 -0.405 0.000 0.996 198 V HN 0.110 nan 8.190 nan 0.000 0.425 199 V N 4.546 124.433 119.914 -0.046 0.000 2.482 199 V HA 0.494 4.613 4.120 -0.001 0.000 0.295 199 V C -0.865 175.224 176.094 -0.009 0.000 1.026 199 V CA -0.483 61.858 62.300 0.068 0.000 0.856 199 V CB 1.584 33.438 31.823 0.052 0.000 1.001 199 V HN 0.940 nan 8.190 nan 0.000 0.424 200 H N 6.325 125.374 119.070 -0.035 0.000 2.744 200 H HA 0.631 5.187 4.556 -0.001 0.000 0.339 200 H C -1.943 173.427 175.328 0.071 0.000 1.004 200 H CA -0.719 55.317 56.048 -0.019 0.000 1.257 200 H CB 1.708 31.449 29.762 -0.035 0.000 1.552 200 H HN 0.548 nan 8.280 nan 0.000 0.522 201 L N 4.730 126.011 121.223 0.096 0.000 2.376 201 L HA 0.561 4.900 4.340 -0.001 0.000 0.275 201 L C 0.347 177.274 176.870 0.094 0.000 0.987 201 L CA -0.842 54.107 54.840 0.182 0.000 0.828 201 L CB 2.175 44.352 42.059 0.197 0.000 1.249 201 L HN 0.738 nan 8.230 nan 0.000 0.409 202 G N 2.788 111.688 108.800 0.167 0.000 2.524 202 G HA2 0.706 4.666 3.960 -0.001 0.000 0.310 202 G HA3 0.706 4.666 3.960 -0.001 0.000 0.310 202 G C -2.067 172.907 174.900 0.124 0.000 1.279 202 G CA -0.439 44.738 45.100 0.128 0.000 0.974 202 G HN 0.312 nan 8.290 nan 0.000 0.484 203 L N 0.804 122.083 121.223 0.094 0.000 2.408 203 L HA 0.725 5.065 4.340 -0.001 0.000 0.268 203 L C -0.513 176.379 176.870 0.037 0.000 0.986 203 L CA -0.580 54.328 54.840 0.113 0.000 0.820 203 L CB 2.084 44.245 42.059 0.170 0.000 1.303 203 L HN 0.735 nan 8.230 nan 0.000 0.411 204 Q N 3.561 123.344 119.800 -0.028 0.000 2.379 204 Q HA 0.449 4.788 4.340 -0.001 0.000 0.278 204 Q C -1.965 173.997 176.000 -0.063 0.000 1.068 204 Q CA -0.855 54.822 55.803 -0.211 0.000 0.816 204 Q CB 2.664 30.949 28.738 -0.755 0.000 1.387 204 Q HN 0.612 nan 8.270 nan 0.000 0.413 205 Y N 0.407 120.601 120.300 -0.177 0.000 2.504 205 Y HA 0.741 5.290 4.550 -0.001 0.000 0.344 205 Y C -2.013 173.870 175.900 -0.029 0.000 1.023 205 Y CA -0.465 57.447 58.100 -0.314 0.000 1.020 205 Y CB 2.335 40.307 38.460 -0.813 0.000 1.282 205 Y HN 0.991 nan 8.280 nan 0.000 0.454 206 A N 4.840 127.235 122.820 -0.708 0.000 2.486 206 A HA 0.720 5.040 4.320 -0.001 0.000 0.300 206 A C -2.599 174.711 177.584 -0.456 0.000 1.048 206 A CA -0.590 51.149 52.037 -0.497 0.000 0.696 206 A CB 1.250 19.916 19.000 -0.557 0.000 1.278 206 A HN 0.832 nan 8.150 nan 0.000 0.405 207 Y N 1.814 122.016 120.300 -0.162 0.000 2.513 207 Y HA 0.710 5.260 4.550 -0.001 0.000 0.340 207 Y C -0.535 175.452 175.900 0.146 0.000 1.055 207 Y CA -0.634 57.464 58.100 -0.003 0.000 1.020 207 Y CB 1.659 40.066 38.460 -0.088 0.000 1.301 207 Y HN 0.899 nan 8.280 nan 0.000 0.453 208 R N 3.350 123.333 120.500 -0.862 0.000 2.584 208 R HA 0.389 4.728 4.340 -0.001 0.000 0.276 208 R C -2.014 173.727 176.300 -0.933 0.000 1.046 208 R CA -0.942 54.721 56.100 -0.729 0.000 0.906 208 R CB 1.872 31.792 30.300 -0.633 0.000 1.215 208 R HN 0.568 nan 8.270 nan 0.000 0.449 209 D N 3.400 123.515 120.400 -0.475 0.000 2.317 209 D HA 0.154 4.793 4.640 -0.001 0.000 0.252 209 D C 0.285 176.484 176.300 -0.169 0.000 1.174 209 D CA -0.364 53.507 54.000 -0.215 0.000 0.866 209 D CB 1.149 41.978 40.800 0.049 0.000 1.127 209 D HN 0.664 nan 8.370 nan 0.000 0.467 210 L N 2.928 124.069 121.223 -0.137 0.000 2.857 210 L HA 0.158 4.498 4.340 -0.001 0.000 0.249 210 L C 0.693 177.564 176.870 0.002 0.000 1.172 210 L CA -0.289 54.500 54.840 -0.085 0.000 0.980 210 L CB 0.173 42.181 42.059 -0.085 0.000 1.299 210 L HN 0.251 nan 8.230 nan 0.000 0.535 211 E N 1.916 122.123 120.200 0.012 0.000 2.585 211 E HA -0.106 4.244 4.350 -0.001 0.000 0.252 211 E C -0.155 176.454 176.600 0.014 0.000 0.981 211 E CA 0.522 56.937 56.400 0.027 0.000 0.943 211 E CB 0.315 30.035 29.700 0.034 0.000 0.923 211 E HN 0.187 nan 8.360 nan 0.000 0.486 212 D N 1.524 121.931 120.400 0.012 0.000 2.837 212 D HA -0.150 4.489 4.640 -0.001 0.000 0.230 212 D C -0.742 175.558 176.300 0.001 0.000 1.152 212 D CA 0.996 54.998 54.000 0.002 0.000 0.736 212 D CB -1.113 39.687 40.800 0.001 0.000 1.084 212 D HN 0.162 nan 8.370 nan 0.000 0.429 213 S N -0.538 115.167 115.700 0.008 0.000 2.503 213 S HA 0.722 5.192 4.470 -0.001 0.000 0.301 213 S C 0.071 174.683 174.600 0.019 0.000 1.087 213 S CA -0.425 57.775 58.200 -0.000 0.000 1.042 213 S CB 2.244 65.430 63.200 -0.023 0.000 1.043 213 S HN 0.346 nan 8.310 nan 0.000 0.489 214 A N 2.639 125.463 122.820 0.007 0.000 2.294 214 A HA 0.667 4.987 4.320 -0.001 0.000 0.316 214 A C -0.715 176.876 177.584 0.012 0.000 1.359 214 A CA -0.470 51.579 52.037 0.020 0.000 0.956 214 A CB -0.132 18.872 19.000 0.007 0.000 1.155 214 A HN 0.608 nan 8.150 nan 0.000 0.544 215 V N 2.861 122.799 119.914 0.040 0.000 2.623 215 V HA 0.219 4.338 4.120 -0.001 0.000 0.304 215 V C -0.677 175.435 176.094 0.030 0.000 1.054 215 V CA -0.882 61.414 62.300 -0.007 0.000 0.882 215 V CB 2.006 33.771 31.823 -0.098 0.000 1.002 215 V HN 0.896 nan 8.190 nan 0.000 0.424 216 D N 3.306 123.711 120.400 0.009 0.000 2.363 216 D HA 0.133 4.772 4.640 -0.001 0.000 0.263 216 D C 1.152 177.451 176.300 -0.002 0.000 1.258 216 D CA 0.495 54.511 54.000 0.028 0.000 0.907 216 D CB 1.437 42.250 40.800 0.022 0.000 1.107 216 D HN 0.797 nan 8.370 nan 0.000 0.495 217 T N 0.639 115.207 114.554 0.024 0.000 3.085 217 T HA 0.204 4.554 4.350 -0.001 0.000 0.264 217 T C 0.904 175.614 174.700 0.016 0.000 1.019 217 T CA -0.519 61.551 62.100 -0.050 0.000 0.910 217 T CB 0.035 68.777 68.868 -0.211 0.000 1.059 217 T HN 0.201 nan 8.240 nan 0.000 0.542 218 R N 1.329 121.863 120.500 0.057 0.000 2.502 218 R HA 0.281 4.621 4.340 -0.001 0.000 0.292 218 R C -0.379 175.951 176.300 0.050 0.000 0.998 218 R CA 0.195 56.337 56.100 0.070 0.000 1.056 218 R CB 0.149 30.491 30.300 0.070 0.000 0.939 218 R HN 0.447 nan 8.270 nan 0.000 0.411 219 I N 4.798 125.407 120.570 0.066 0.000 2.306 219 I HA 0.200 4.370 4.170 -0.001 0.000 0.288 219 I C 0.355 176.500 176.117 0.047 0.000 1.036 219 I CA -0.132 61.188 61.300 0.033 0.000 1.221 219 I CB 0.750 38.769 38.000 0.032 0.000 1.385 219 I HN 0.413 nan 8.210 nan 0.000 0.472 220 R N 6.501 127.001 120.500 0.000 0.000 2.564 220 R HA 0.336 4.675 4.340 -0.001 0.000 0.282 220 R C -2.673 173.595 176.300 -0.053 0.000 1.573 220 R CA -1.704 54.411 56.100 0.024 0.000 1.588 220 R CB 0.682 31.011 30.300 0.047 0.000 1.154 220 R HN 0.259 nan 8.270 nan 0.000 0.606 221 P HA 0.127 nan 4.420 nan 0.000 0.271 221 P C 0.127 177.392 177.300 -0.058 0.000 1.216 221 P CA -0.295 62.678 63.100 -0.211 0.000 0.771 221 P CB 0.860 32.269 31.700 -0.484 0.000 0.864 222 R N 2.593 123.070 120.500 -0.039 0.000 2.307 222 R HA 0.115 4.455 4.340 -0.001 0.000 0.199 222 R C 0.336 176.712 176.300 0.127 0.000 1.000 222 R CA 0.281 56.391 56.100 0.017 0.000 1.023 222 R CB -0.297 29.966 30.300 -0.061 0.000 0.908 222 R HN 0.400 nan 8.270 nan 0.000 0.473 223 M N -0.745 118.897 119.600 0.070 0.000 2.653 223 M HA -0.197 4.283 4.480 -0.001 0.000 0.203 223 M C 0.667 177.089 176.300 0.203 0.000 0.502 223 M CA 1.367 56.740 55.300 0.123 0.000 0.601 223 M CB -2.313 30.410 32.600 0.205 0.000 2.228 223 M HN 0.588 nan 8.290 nan 0.000 0.711 224 G N -1.255 107.576 108.800 0.053 0.000 2.176 224 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.232 224 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.232 224 G C 0.040 174.874 174.900 -0.109 0.000 0.986 224 G CA 0.347 45.443 45.100 -0.008 0.000 0.643 224 G HN 0.390 nan 8.290 nan 0.000 0.522 225 M N 0.172 119.640 119.600 -0.220 0.000 2.022 225 M HA 0.485 4.965 4.480 -0.001 0.000 0.298 225 M C 1.043 177.088 176.300 -0.425 0.000 0.909 225 M CA -0.967 54.031 55.300 -0.503 0.000 0.914 225 M CB 1.403 33.301 32.600 -1.170 0.000 1.486 225 M HN 0.169 nan 8.290 nan 0.000 0.415 226 R N 2.712 123.042 120.500 -0.283 0.000 2.105 226 R HA -0.049 4.291 4.340 -0.001 0.000 0.239 226 R C 1.701 177.767 176.300 -0.390 0.000 1.135 226 R CA 2.339 58.290 56.100 -0.248 0.000 0.967 226 R CB -0.546 29.689 30.300 -0.108 0.000 0.861 226 R HN 0.878 nan 8.270 nan 0.000 0.442 227 G N -0.145 108.392 108.800 -0.438 0.000 2.586 227 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.215 227 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.215 227 G C 1.346 176.055 174.900 -0.319 0.000 1.128 227 G CA 0.837 45.719 45.100 -0.362 0.000 0.774 227 G HN 0.367 nan 8.290 nan 0.000 0.543 228 V N -2.345 117.244 119.914 -0.541 0.000 2.490 228 V HA 0.148 4.267 4.120 -0.001 0.000 0.250 228 V C 0.971 177.010 176.094 -0.091 0.000 1.061 228 V CA 1.466 63.624 62.300 -0.236 0.000 1.064 228 V CB -0.116 31.589 31.823 -0.197 0.000 0.670 228 V HN 0.306 nan 8.190 nan 0.000 0.461 229 S N -1.261 114.346 115.700 -0.155 0.000 2.599 229 S HA 0.539 5.008 4.470 -0.001 0.000 0.269 229 S C -0.698 173.797 174.600 -0.175 0.000 1.135 229 S CA 0.332 58.462 58.200 -0.116 0.000 1.027 229 S CB 1.278 64.439 63.200 -0.066 0.000 1.129 229 S HN 0.881 nan 8.310 nan 0.000 0.458 230 T N 3.707 118.140 114.554 -0.202 0.000 2.886 230 T HA 0.507 4.857 4.350 -0.001 0.000 0.330 230 T C -1.217 173.386 174.700 -0.162 0.000 1.488 230 T CA -0.567 61.382 62.100 -0.252 0.000 1.054 230 T CB 1.120 69.644 68.868 -0.573 0.000 1.348 230 T HN 0.544 nan 8.240 nan 0.000 0.489 231 N N 0.248 118.899 118.700 -0.083 0.000 2.405 231 N HA 0.641 5.381 4.740 -0.001 0.000 0.269 231 N C 1.276 176.815 175.510 0.048 0.000 1.249 231 N CA 1.012 54.055 53.050 -0.010 0.000 0.974 231 N CB 0.724 39.220 38.487 0.016 0.000 1.204 231 N HN 1.174 nan 8.380 nan 0.000 0.565 232 G N -2.401 106.459 108.800 0.101 0.000 2.176 232 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.232 232 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.232 232 G C 0.490 175.521 174.900 0.218 0.000 0.986 232 G CA 0.731 45.960 45.100 0.214 0.000 0.643 232 G HN 1.050 nan 8.290 nan 0.000 0.522 233 G N 0.050 108.938 108.800 0.146 0.000 2.483 233 G HA2 0.518 4.478 3.960 -0.001 0.000 0.090 233 G HA3 0.518 4.478 3.960 -0.001 0.000 0.090 233 G C -0.500 174.451 174.900 0.087 0.000 0.984 233 G CA 0.695 45.859 45.100 0.107 0.000 1.325 233 G HN 1.742 nan 8.290 nan 0.000 0.561 234 N N 0.987 119.755 118.700 0.113 0.000 2.405 234 N HA 0.688 5.428 4.740 -0.001 0.000 0.285 234 N C -1.248 174.313 175.510 0.084 0.000 1.262 234 N CA 0.039 53.139 53.050 0.083 0.000 0.773 234 N CB 2.854 41.386 38.487 0.076 0.000 1.490 234 N HN 0.673 nan 8.380 nan 0.000 0.486 235 D N -1.544 118.886 120.400 0.050 0.000 2.867 235 D HA 0.440 5.079 4.640 -0.001 0.000 0.308 235 D C 0.133 176.487 176.300 0.090 0.000 1.202 235 D CA -0.626 53.405 54.000 0.052 0.000 1.035 235 D CB 0.339 41.111 40.800 -0.047 0.000 1.427 235 D HN 0.586 nan 8.370 nan 0.000 0.570 236 A N -0.644 122.268 122.820 0.155 0.000 2.216 236 A HA 0.435 4.755 4.320 -0.001 0.000 0.214 236 A C 1.661 179.287 177.584 0.069 0.000 1.160 236 A CA 1.584 53.705 52.037 0.140 0.000 0.725 236 A CB -1.570 17.614 19.000 0.307 0.000 0.784 236 A HN 1.319 nan 8.150 nan 0.000 0.472 237 G N -0.025 108.805 108.800 0.050 0.000 2.651 237 G HA2 -0.426 3.534 3.960 -0.001 0.000 0.315 237 G HA3 -0.426 3.534 3.960 -0.001 0.000 0.315 237 G C 1.379 176.295 174.900 0.028 0.000 1.258 237 G CA 1.854 46.972 45.100 0.030 0.000 1.002 237 G HN 1.518 nan 8.290 nan 0.000 0.551 238 S N 0.215 115.927 115.700 0.021 0.000 2.555 238 S HA 0.029 4.498 4.470 -0.001 0.000 0.230 238 S C 1.541 176.153 174.600 0.019 0.000 0.978 238 S CA 1.673 59.883 58.200 0.018 0.000 0.934 238 S CB 0.020 63.228 63.200 0.013 0.000 0.766 238 S HN 0.749 nan 8.310 nan 0.000 0.533 239 N N 1.539 120.255 118.700 0.027 0.000 2.230 239 N HA 0.249 4.988 4.740 -0.001 0.000 0.202 239 N C 0.278 175.827 175.510 0.065 0.000 1.119 239 N CA 0.093 53.163 53.050 0.032 0.000 0.851 239 N CB 0.312 38.811 38.487 0.020 0.000 0.990 239 N HN 0.479 nan 8.380 nan 0.000 0.497 240 G N 0.403 109.247 108.800 0.072 0.000 2.339 240 G HA2 0.131 4.090 3.960 -0.001 0.000 0.287 240 G HA3 0.131 4.090 3.960 -0.001 0.000 0.287 240 G C -0.507 174.412 174.900 0.031 0.000 1.163 240 G CA -0.461 44.697 45.100 0.097 0.000 0.872 240 G HN 0.248 nan 8.290 nan 0.000 0.464 241 N N 1.404 120.107 118.700 0.005 0.000 2.462 241 N HA 0.178 4.917 4.740 -0.001 0.000 0.242 241 N C -0.192 175.275 175.510 -0.072 0.000 1.010 241 N CA -0.463 52.532 53.050 -0.092 0.000 0.939 241 N CB 0.708 39.036 38.487 -0.266 0.000 1.127 241 N HN 0.435 nan 8.380 nan 0.000 0.509 242 R N 2.971 123.458 120.500 -0.021 0.000 2.332 242 R HA 0.422 4.761 4.340 -0.001 0.000 0.306 242 R C -0.135 176.208 176.300 0.071 0.000 1.117 242 R CA -0.702 55.414 56.100 0.027 0.000 1.108 242 R CB 0.202 30.510 30.300 0.014 0.000 1.126 242 R HN 0.643 nan 8.270 nan 0.000 0.548 243 G N 2.917 111.807 108.800 0.151 0.000 2.442 243 G HA2 0.157 4.117 3.960 -0.001 0.000 0.249 243 G HA3 0.157 4.117 3.960 -0.001 0.000 0.249 243 G C -0.606 174.484 174.900 0.316 0.000 1.263 243 G CA -0.564 44.674 45.100 0.231 0.000 0.846 243 G HN 0.467 nan 8.290 nan 0.000 0.555 244 L N 3.148 124.504 121.223 0.222 0.000 2.342 244 L HA 0.412 4.751 4.340 -0.001 0.000 0.285 244 L C 0.614 177.652 176.870 0.279 0.000 1.095 244 L CA -0.230 54.744 54.840 0.224 0.000 0.843 244 L CB -0.005 42.131 42.059 0.129 0.000 1.201 244 L HN 0.591 nan 8.230 nan 0.000 0.445 245 F N 3.404 123.387 119.950 0.055 0.000 2.367 245 F HA 0.296 4.822 4.527 -0.001 0.000 0.298 245 F C 1.540 177.370 175.800 0.050 0.000 1.094 245 F CA 0.739 58.767 58.000 0.048 0.000 1.409 245 F CB 0.323 39.343 39.000 0.034 0.000 1.064 245 F HN 0.681 nan 8.300 nan 0.000 0.528 246 G N -1.452 107.486 108.800 0.231 0.000 2.324 246 G HA2 0.423 4.382 3.960 -0.001 0.000 0.293 246 G HA3 0.423 4.382 3.960 -0.001 0.000 0.293 246 G C -0.621 174.369 174.900 0.150 0.000 1.297 246 G CA -0.173 45.024 45.100 0.163 0.000 0.853 246 G HN 0.595 nan 8.290 nan 0.000 0.535 247 G N -1.574 107.326 108.800 0.167 0.000 2.710 247 G HA2 0.450 4.409 3.960 -0.001 0.000 0.668 247 G HA3 0.450 4.409 3.960 -0.001 0.000 0.668 247 G C -0.230 174.801 174.900 0.218 0.000 1.320 247 G CA 0.513 45.729 45.100 0.193 0.000 0.860 247 G HN 1.976 nan 8.290 nan 0.000 0.538 248 S N -1.006 114.855 115.700 0.268 0.000 2.627 248 S HA 0.857 5.327 4.470 -0.001 0.000 0.283 248 S C 0.483 175.187 174.600 0.173 0.000 1.127 248 S CA 0.053 58.385 58.200 0.220 0.000 0.863 248 S CB 1.677 65.028 63.200 0.253 0.000 1.121 248 S HN 2.034 nan 8.310 nan 0.000 0.479 249 S N 0.981 116.749 115.700 0.114 0.000 2.606 249 S HA 0.547 5.017 4.470 -0.001 0.000 0.257 249 S C 0.347 175.003 174.600 0.094 0.000 1.327 249 S CA -0.446 57.805 58.200 0.084 0.000 0.984 249 S CB 0.117 63.349 63.200 0.054 0.000 0.941 249 S HN 1.063 nan 8.310 nan 0.000 0.576 250 A N 1.156 124.015 122.820 0.065 0.000 2.655 250 A HA 0.530 4.849 4.320 -0.001 0.000 0.297 250 A C -0.343 177.267 177.584 0.042 0.000 1.461 250 A CA -0.583 51.489 52.037 0.059 0.000 1.146 250 A CB -1.146 17.873 19.000 0.032 0.000 1.108 250 A HN 0.756 nan 8.150 nan 0.000 0.550 251 V N 3.144 123.088 119.914 0.049 0.000 2.531 251 V HA 0.210 4.329 4.120 -0.001 0.000 0.301 251 V C 0.100 176.194 176.094 0.000 0.000 1.034 251 V CA -0.757 61.548 62.300 0.009 0.000 0.865 251 V CB 1.762 33.575 31.823 -0.017 0.000 0.995 251 V HN 0.942 nan 8.190 nan 0.000 0.424 252 E N 2.591 122.786 120.200 -0.008 0.000 2.417 252 E HA 0.411 4.760 4.350 -0.001 0.000 0.261 252 E C 1.115 177.693 176.600 -0.038 0.000 1.000 252 E CA 1.336 57.729 56.400 -0.012 0.000 0.919 252 E CB 0.638 30.331 29.700 -0.012 0.000 0.955 252 E HN 1.097 nan 8.360 nan 0.000 0.455 253 G N 2.885 111.663 108.800 -0.037 0.000 2.157 253 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.239 253 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.239 253 G C 0.691 175.501 174.900 -0.150 0.000 0.982 253 G CA 0.211 45.272 45.100 -0.065 0.000 0.650 253 G HN 0.523 nan 8.290 nan 0.000 0.527 254 L N -2.020 119.044 121.223 -0.265 0.000 2.240 254 L HA 0.247 4.587 4.340 -0.001 0.000 0.211 254 L C 1.217 177.629 176.870 -0.764 0.000 1.106 254 L CA 0.785 55.241 54.840 -0.640 0.000 0.793 254 L CB -0.106 41.370 42.059 -0.971 0.000 0.927 254 L HN 0.377 nan 8.230 nan 0.000 0.446 255 W N -1.395 119.886 121.300 -0.033 0.000 2.950 255 W HA 0.372 5.031 4.660 -0.001 0.000 0.340 255 W C 0.904 177.399 176.519 -0.039 0.000 1.139 255 W CA -0.843 56.480 57.345 -0.038 0.000 1.188 255 W CB 1.330 30.750 29.460 -0.066 0.000 1.426 255 W HN -0.393 nan 8.180 nan 0.000 0.531 256 K N 0.247 120.787 120.400 0.233 0.000 2.121 256 K HA 0.036 4.356 4.320 -0.001 0.000 0.203 256 K C -0.234 176.415 176.600 0.081 0.000 1.041 256 K CA 0.999 57.365 56.287 0.131 0.000 0.969 256 K CB 0.122 32.699 32.500 0.127 0.000 0.799 256 K HN 0.585 nan 8.250 nan 0.000 0.456 257 D N -1.167 119.270 120.400 0.061 0.000 2.713 257 D HA 0.188 4.827 4.640 -0.001 0.000 0.306 257 D C -1.615 174.591 176.300 -0.156 0.000 1.299 257 D CA -0.752 53.187 54.000 -0.101 0.000 0.823 257 D CB 0.934 41.714 40.800 -0.034 0.000 1.353 257 D HN -0.214 nan 8.370 nan 0.000 0.447 258 D N -0.970 119.235 120.400 -0.326 0.000 2.855 258 D HA 0.541 5.181 4.640 -0.001 0.000 0.241 258 D C -1.490 174.795 176.300 -0.026 0.000 1.277 258 D CA -0.281 53.566 54.000 -0.255 0.000 0.918 258 D CB 1.820 42.230 40.800 -0.650 0.000 1.462 258 D HN 0.346 nan 8.370 nan 0.000 0.559 259 S N 1.220 117.051 115.700 0.220 0.000 2.538 259 S HA 0.733 5.203 4.470 -0.001 0.000 0.288 259 S C -0.726 174.029 174.600 0.259 0.000 1.108 259 S CA -0.697 57.695 58.200 0.319 0.000 0.971 259 S CB 2.094 65.580 63.200 0.476 0.000 1.041 259 S HN 0.264 nan 8.310 nan 0.000 0.483 260 V N 2.217 122.176 119.914 0.075 0.000 2.623 260 V HA 0.495 4.615 4.120 -0.001 0.000 0.304 260 V C -1.490 174.687 176.094 0.140 0.000 1.054 260 V CA -0.654 61.671 62.300 0.041 0.000 0.882 260 V CB 1.486 33.110 31.823 -0.332 0.000 1.002 260 V HN 0.952 nan 8.190 nan 0.000 0.424 261 W N 2.063 123.556 121.300 0.321 0.000 2.606 261 W HA 0.781 5.440 4.660 -0.001 0.000 0.332 261 W C 0.446 177.156 176.519 0.319 0.000 1.052 261 W CA -0.405 57.162 57.345 0.371 0.000 1.223 261 W CB 2.354 31.989 29.460 0.291 0.000 1.383 261 W HN 0.771 nan 8.180 nan 0.000 0.524 262 G N 2.831 111.921 108.800 0.483 0.000 2.638 262 G HA2 0.772 4.731 3.960 -0.001 0.000 0.302 262 G HA3 0.772 4.731 3.960 -0.001 0.000 0.302 262 G C -2.153 172.869 174.900 0.204 0.000 1.365 262 G CA -0.808 44.451 45.100 0.264 0.000 0.987 262 G HN 0.437 nan 8.290 nan 0.000 0.495 263 L N 1.072 122.445 121.223 0.251 0.000 2.365 263 L HA 0.666 5.006 4.340 -0.001 0.000 0.273 263 L C -0.318 176.662 176.870 0.184 0.000 1.000 263 L CA -0.785 54.186 54.840 0.218 0.000 0.819 263 L CB 2.335 44.541 42.059 0.245 0.000 1.284 263 L HN 0.841 nan 8.230 nan 0.000 0.418 264 E N 2.094 122.393 120.200 0.165 0.000 2.383 264 E HA 0.795 5.145 4.350 -0.001 0.000 0.275 264 E C -1.119 175.606 176.600 0.209 0.000 0.918 264 E CA -1.023 55.476 56.400 0.165 0.000 0.764 264 E CB 2.578 32.386 29.700 0.181 0.000 1.252 264 E HN 0.555 nan 8.360 nan 0.000 0.449 265 G N 0.049 108.943 108.800 0.157 0.000 2.667 265 G HA2 0.728 4.687 3.960 -0.001 0.000 0.298 265 G HA3 0.728 4.687 3.960 -0.001 0.000 0.298 265 G C -1.563 173.419 174.900 0.137 0.000 1.377 265 G CA -0.489 44.728 45.100 0.196 0.000 0.964 265 G HN 0.692 nan 8.290 nan 0.000 0.493 266 A N 0.155 123.083 122.820 0.179 0.000 2.549 266 A HA 0.819 5.138 4.320 -0.001 0.000 0.297 266 A C -2.203 175.577 177.584 0.326 0.000 1.061 266 A CA -0.592 51.566 52.037 0.203 0.000 0.690 266 A CB 1.845 20.911 19.000 0.109 0.000 1.287 266 A HN 1.362 nan 8.150 nan 0.000 0.402 267 W N 1.438 122.815 121.300 0.129 0.000 3.129 267 W HA 0.698 5.357 4.660 -0.001 0.000 0.333 267 W C -0.952 175.649 176.519 0.137 0.000 1.141 267 W CA -0.076 57.336 57.345 0.111 0.000 1.224 267 W CB 1.813 31.344 29.460 0.118 0.000 1.393 267 W HN 1.290 nan 8.180 nan 0.000 0.499 268 A N 5.489 128.090 122.820 -0.365 0.000 2.422 268 A HA 0.802 5.121 4.320 -0.001 0.000 0.302 268 A C -2.534 174.670 177.584 -0.634 0.000 1.041 268 A CA -0.668 51.096 52.037 -0.455 0.000 0.708 268 A CB 1.669 20.630 19.000 -0.066 0.000 1.257 268 A HN 0.919 nan 8.150 nan 0.000 0.414 269 L N 2.869 123.735 121.223 -0.596 0.000 2.446 269 L HA 0.664 5.003 4.340 -0.001 0.000 0.268 269 L C 0.771 177.564 176.870 -0.129 0.000 0.975 269 L CA 1.398 56.034 54.840 -0.340 0.000 0.848 269 L CB 1.042 42.879 42.059 -0.369 0.000 1.225 269 L HN 2.051 nan 8.230 nan 0.000 0.410 270 G N 3.851 112.605 108.800 -0.076 0.000 2.622 270 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.307 270 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.307 270 G C 0.814 175.695 174.900 -0.031 0.000 1.226 270 G CA 0.574 45.656 45.100 -0.029 0.000 0.997 270 G HN 1.549 nan 8.290 nan 0.000 0.551 271 A N -0.616 122.209 122.820 0.009 0.000 2.206 271 A HA 0.572 4.891 4.320 -0.001 0.000 0.211 271 A C 0.850 178.465 177.584 0.052 0.000 1.158 271 A CA 1.323 53.312 52.037 -0.079 0.000 0.761 271 A CB -0.131 18.701 19.000 -0.280 0.000 0.801 271 A HN 1.257 nan 8.150 nan 0.000 0.473 272 F N 1.413 121.396 119.950 0.054 0.000 2.404 272 F HA 0.532 5.059 4.527 -0.001 0.000 0.339 272 F C 0.288 176.006 175.800 -0.137 0.000 1.105 272 F CA -0.369 57.678 58.000 0.079 0.000 1.087 272 F CB 1.419 40.463 39.000 0.074 0.000 1.143 272 F HN 0.044 nan 8.300 nan 0.000 0.491 273 S N 4.395 119.492 115.700 -1.006 0.000 2.549 273 S HA 0.930 5.399 4.470 -0.001 0.000 0.280 273 S C -1.224 172.859 174.600 -0.861 0.000 1.109 273 S CA -0.692 57.043 58.200 -0.774 0.000 0.905 273 S CB 1.537 64.400 63.200 -0.561 0.000 1.081 273 S HN 1.112 nan 8.310 nan 0.000 0.477 274 A N 1.991 124.645 122.820 -0.276 0.000 2.393 274 A HA 0.840 5.160 4.320 -0.001 0.000 0.306 274 A C -0.771 176.884 177.584 0.118 0.000 1.050 274 A CA -0.822 51.224 52.037 0.015 0.000 0.724 274 A CB 1.532 20.744 19.000 0.353 0.000 1.248 274 A HN 1.081 nan 8.150 nan 0.000 0.424 275 Q N 0.797 120.660 119.800 0.105 0.000 2.377 275 Q HA 0.825 5.165 4.340 -0.001 0.000 0.279 275 Q C -1.096 174.906 176.000 0.003 0.000 1.049 275 Q CA -0.905 54.964 55.803 0.110 0.000 0.825 275 Q CB 2.271 31.103 28.738 0.158 0.000 1.401 275 Q HN 1.627 nan 8.270 nan 0.000 0.404 276 A N 1.749 124.496 122.820 -0.123 0.000 2.547 276 A HA 0.685 5.005 4.320 -0.001 0.000 0.297 276 A C -1.567 175.813 177.584 -0.341 0.000 1.056 276 A CA -0.646 51.167 52.037 -0.373 0.000 0.688 276 A CB 2.062 20.994 19.000 -0.113 0.000 1.282 276 A HN 0.760 nan 8.150 nan 0.000 0.400 277 E N 0.183 120.054 120.200 -0.547 0.000 2.293 277 E HA 0.484 4.834 4.350 -0.001 0.000 0.270 277 E C -2.008 174.666 176.600 0.123 0.000 0.879 277 E CA -0.535 55.813 56.400 -0.087 0.000 0.756 277 E CB 2.678 32.438 29.700 0.100 0.000 1.208 277 E HN 0.604 nan 8.360 nan 0.000 0.428 278 Y N 3.289 123.650 120.300 0.102 0.000 2.409 278 Y HA 0.578 5.128 4.550 -0.001 0.000 0.343 278 Y C -1.788 174.251 175.900 0.230 0.000 0.973 278 Y CA -1.072 57.131 58.100 0.171 0.000 1.064 278 Y CB 0.932 39.461 38.460 0.114 0.000 1.207 278 Y HN 0.492 nan 8.280 nan 0.000 0.452 279 L N 3.956 124.874 121.223 -0.509 0.000 2.393 279 L HA 0.782 5.121 4.340 -0.001 0.000 0.260 279 L C -1.573 174.975 176.870 -0.537 0.000 1.002 279 L CA -1.198 53.450 54.840 -0.321 0.000 0.818 279 L CB 2.386 44.509 42.059 0.106 0.000 1.369 279 L HN 0.707 nan 8.230 nan 0.000 0.412 280 R N 1.522 121.924 120.500 -0.163 0.000 2.575 280 R HA 0.705 5.045 4.340 -0.001 0.000 0.293 280 R C -1.322 175.050 176.300 0.120 0.000 0.983 280 R CA -0.666 55.426 56.100 -0.013 0.000 0.887 280 R CB 1.615 31.985 30.300 0.117 0.000 1.184 280 R HN 0.948 nan 8.270 nan 0.000 0.445 281 R N 2.412 122.967 120.500 0.091 0.000 2.599 281 R HA 0.480 4.819 4.340 -0.001 0.000 0.295 281 R C -1.503 174.872 176.300 0.126 0.000 0.963 281 R CA -0.428 55.737 56.100 0.108 0.000 0.883 281 R CB 2.297 32.623 30.300 0.044 0.000 1.171 281 R HN 0.628 nan 8.270 nan 0.000 0.450 282 T N 3.469 118.116 114.554 0.155 0.000 2.879 282 T HA 0.295 4.645 4.350 -0.001 0.000 0.290 282 T C -0.985 173.760 174.700 0.074 0.000 0.993 282 T CA -0.568 61.607 62.100 0.126 0.000 0.975 282 T CB 1.639 70.609 68.868 0.171 0.000 0.981 282 T HN 0.299 nan 8.240 nan 0.000 0.439 283 V N 4.094 123.994 119.914 -0.024 0.000 2.333 283 V HA 0.366 4.485 4.120 -0.001 0.000 0.274 283 V C 0.347 176.488 176.094 0.079 0.000 1.028 283 V CA -0.978 61.233 62.300 -0.149 0.000 0.851 283 V CB 0.704 32.139 31.823 -0.647 0.000 1.000 283 V HN 0.712 nan 8.190 nan 0.000 0.456 284 K N 3.622 124.119 120.400 0.161 0.000 2.339 284 K HA 0.600 4.920 4.320 -0.001 0.000 0.286 284 K C 0.402 177.233 176.600 0.385 0.000 1.050 284 K CA -0.051 56.380 56.287 0.241 0.000 0.956 284 K CB 1.280 33.891 32.500 0.185 0.000 0.990 284 K HN 0.843 nan 8.250 nan 0.000 0.475 285 A N 3.559 126.598 122.820 0.365 0.000 2.304 285 A HA 0.177 4.496 4.320 -0.001 0.000 0.271 285 A C 0.079 177.708 177.584 0.075 0.000 1.091 285 A CA -0.458 51.717 52.037 0.231 0.000 0.812 285 A CB 0.469 19.518 19.000 0.083 0.000 1.056 285 A HN 0.659 nan 8.150 nan 0.000 0.489 286 E N 0.148 120.318 120.200 -0.049 0.000 2.330 286 E HA 0.451 4.801 4.350 -0.001 0.000 0.256 286 E C 0.265 176.824 176.600 -0.068 0.000 1.146 286 E CA -0.433 55.939 56.400 -0.046 0.000 0.945 286 E CB 0.665 30.320 29.700 -0.074 0.000 1.182 286 E HN 0.694 nan 8.360 nan 0.000 0.480 287 R N 0.213 120.685 120.500 -0.046 0.000 3.794 287 R HA -0.260 4.080 4.340 -0.001 0.000 0.485 287 R C 0.639 176.919 176.300 -0.033 0.000 0.241 287 R CA 2.017 58.090 56.100 -0.044 0.000 1.522 287 R CB -1.252 29.007 30.300 -0.067 0.000 0.988 287 R HN 0.777 nan 8.270 nan 0.000 0.570 288 D N 1.254 121.631 120.400 -0.039 0.000 2.328 288 D HA 0.066 4.706 4.640 -0.001 0.000 0.226 288 D C -0.090 176.192 176.300 -0.031 0.000 1.066 288 D CA 0.338 54.323 54.000 -0.025 0.000 0.861 288 D CB -0.078 40.709 40.800 -0.021 0.000 0.912 288 D HN 0.244 nan 8.370 nan 0.000 0.521 289 R N 0.709 121.173 120.500 -0.060 0.000 2.615 289 R HA 0.251 4.591 4.340 -0.001 0.000 0.270 289 R C 0.326 176.616 176.300 -0.016 0.000 1.081 289 R CA -0.405 55.648 56.100 -0.078 0.000 1.154 289 R CB 0.759 30.939 30.300 -0.200 0.000 1.063 289 R HN 0.128 nan 8.270 nan 0.000 0.519 290 E N 1.565 121.777 120.200 0.019 0.000 2.277 290 E HA 0.090 4.440 4.350 -0.001 0.000 0.274 290 E C -0.549 176.163 176.600 0.186 0.000 1.022 290 E CA -0.461 55.991 56.400 0.087 0.000 0.853 290 E CB 0.818 30.570 29.700 0.086 0.000 1.086 290 E HN 0.358 nan 8.360 nan 0.000 0.397 291 D N 1.055 121.582 120.400 0.211 0.000 2.400 291 D HA 0.050 4.689 4.640 -0.001 0.000 0.238 291 D C -0.128 176.348 176.300 0.294 0.000 1.157 291 D CA -0.157 54.022 54.000 0.298 0.000 0.889 291 D CB 0.588 41.507 40.800 0.199 0.000 1.199 291 D HN 0.096 nan 8.370 nan 0.000 0.436 292 L N 1.575 122.952 121.223 0.256 0.000 2.272 292 L HA 0.289 4.629 4.340 -0.001 0.000 0.289 292 L C -0.439 176.463 176.870 0.053 0.000 1.032 292 L CA -0.065 54.837 54.840 0.103 0.000 0.810 292 L CB 0.421 42.418 42.059 -0.103 0.000 1.205 292 L HN 0.169 nan 8.230 nan 0.000 0.422 293 K N 4.579 125.029 120.400 0.084 0.000 2.324 293 K HA 0.907 5.226 4.320 -0.001 0.000 0.253 293 K C -1.282 175.367 176.600 0.080 0.000 0.932 293 K CA -0.819 55.518 56.287 0.085 0.000 0.799 293 K CB 2.155 34.718 32.500 0.104 0.000 1.154 293 K HN 0.682 nan 8.250 nan 0.000 0.425 294 A N 1.175 124.036 122.820 0.070 0.000 2.486 294 A HA 0.740 5.059 4.320 -0.001 0.000 0.300 294 A C -1.113 176.499 177.584 0.047 0.000 1.048 294 A CA -0.689 51.384 52.037 0.060 0.000 0.696 294 A CB 1.601 20.620 19.000 0.030 0.000 1.278 294 A HN 0.696 nan 8.150 nan 0.000 0.405 295 S N 0.076 115.807 115.700 0.052 0.000 2.570 295 S HA 0.966 5.436 4.470 -0.001 0.000 0.270 295 S C -0.317 174.311 174.600 0.046 0.000 1.149 295 S CA -0.183 58.029 58.200 0.021 0.000 0.837 295 S CB 1.497 64.760 63.200 0.104 0.000 1.124 295 S HN 2.479 nan 8.310 nan 0.000 0.465 296 G N 0.171 108.981 108.800 0.017 0.000 2.523 296 G HA2 0.637 4.596 3.960 -0.001 0.000 0.291 296 G HA3 0.637 4.596 3.960 -0.001 0.000 0.291 296 G C -1.869 173.172 174.900 0.234 0.000 1.450 296 G CA -0.413 44.742 45.100 0.092 0.000 0.790 296 G HN 1.742 nan 8.290 nan 0.000 0.496 297 Y N -1.259 119.118 120.300 0.128 0.000 2.625 297 Y HA 0.854 5.403 4.550 -0.001 0.000 0.338 297 Y C -1.169 174.795 175.900 0.107 0.000 1.123 297 Y CA -2.049 56.141 58.100 0.150 0.000 1.046 297 Y CB 1.470 40.076 38.460 0.244 0.000 1.299 297 Y HN 1.243 nan 8.280 nan 0.000 0.464 298 Y N 0.355 120.744 120.300 0.148 0.000 2.581 298 Y HA 1.004 5.553 4.550 -0.001 0.000 0.345 298 Y C -1.579 174.480 175.900 0.264 0.000 1.036 298 Y CA -1.621 56.503 58.100 0.041 0.000 1.042 298 Y CB 1.798 40.194 38.460 -0.107 0.000 1.289 298 Y HN 1.051 nan 8.280 nan 0.000 0.471 299 A N 2.771 125.782 122.820 0.318 0.000 2.422 299 A HA 0.610 4.930 4.320 -0.001 0.000 0.302 299 A C -1.683 176.116 177.584 0.359 0.000 1.041 299 A CA -0.762 51.419 52.037 0.239 0.000 0.708 299 A CB 1.939 21.123 19.000 0.307 0.000 1.257 299 A HN 0.861 nan 8.150 nan 0.000 0.414 300 Q N 2.295 122.289 119.800 0.323 0.000 2.337 300 Q HA 0.693 5.032 4.340 -0.001 0.000 0.270 300 Q C -1.899 174.228 176.000 0.213 0.000 1.043 300 Q CA -0.587 55.386 55.803 0.283 0.000 0.794 300 Q CB 1.414 30.301 28.738 0.250 0.000 1.281 300 Q HN 0.754 nan 8.270 nan 0.000 0.446 301 L N 2.440 123.830 121.223 0.278 0.000 2.307 301 L HA 0.912 5.251 4.340 -0.001 0.000 0.284 301 L C -0.571 176.396 176.870 0.162 0.000 1.023 301 L CA -0.814 54.137 54.840 0.185 0.000 0.810 301 L CB 1.781 44.087 42.059 0.412 0.000 1.231 301 L HN 0.695 nan 8.230 nan 0.000 0.423 302 A N 2.844 125.608 122.820 -0.093 0.000 2.449 302 A HA 0.755 5.074 4.320 -0.001 0.000 0.302 302 A C -1.989 175.635 177.584 0.066 0.000 1.048 302 A CA -0.428 51.638 52.037 0.047 0.000 0.708 302 A CB 1.635 20.601 19.000 -0.056 0.000 1.274 302 A HN 0.612 nan 8.150 nan 0.000 0.410 303 Y N 1.055 121.419 120.300 0.107 0.000 2.362 303 Y HA 0.483 5.033 4.550 -0.001 0.000 0.326 303 Y C -0.407 175.586 175.900 0.156 0.000 1.083 303 Y CA -0.331 57.863 58.100 0.157 0.000 1.073 303 Y CB 1.946 40.574 38.460 0.280 0.000 1.211 303 Y HN 0.602 nan 8.280 nan 0.000 0.433 304 T N 7.568 121.823 114.554 -0.497 0.000 2.739 304 T HA 0.201 4.550 4.350 -0.001 0.000 0.298 304 T C 1.628 175.955 174.700 -0.622 0.000 0.929 304 T CA -0.301 61.577 62.100 -0.370 0.000 1.014 304 T CB 0.325 69.038 68.868 -0.258 0.000 0.914 304 T HN 0.757 nan 8.240 nan 0.000 0.509 305 L N 2.620 123.714 121.223 -0.216 0.000 2.129 305 L HA -0.135 4.204 4.340 -0.001 0.000 0.212 305 L C 2.783 179.657 176.870 0.006 0.000 1.087 305 L CA 1.368 56.205 54.840 -0.005 0.000 0.757 305 L CB -0.873 41.295 42.059 0.182 0.000 0.896 305 L HN 0.708 nan 8.230 nan 0.000 0.434 306 T N -3.981 110.593 114.554 0.034 0.000 3.129 306 T HA 0.311 4.660 4.350 -0.001 0.000 0.251 306 T C 1.410 176.099 174.700 -0.017 0.000 1.117 306 T CA 0.423 62.559 62.100 0.060 0.000 1.034 306 T CB 0.631 69.589 68.868 0.151 0.000 0.968 306 T HN 0.508 nan 8.240 nan 0.000 0.526 307 G N 1.052 109.787 108.800 -0.109 0.000 2.213 307 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.236 307 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.236 307 G C -0.239 174.590 174.900 -0.117 0.000 0.991 307 G CA -0.281 44.755 45.100 -0.106 0.000 0.629 307 G HN 0.593 nan 8.290 nan 0.000 0.517 308 E N 2.510 122.630 120.200 -0.134 0.000 2.316 308 E HA 0.474 4.824 4.350 -0.001 0.000 0.275 308 E C -1.893 174.604 176.600 -0.172 0.000 1.029 308 E CA -1.284 55.026 56.400 -0.150 0.000 0.871 308 E CB 1.281 30.871 29.700 -0.185 0.000 1.022 308 E HN 0.328 nan 8.360 nan 0.000 0.418 309 P HA 0.155 nan 4.420 nan 0.000 0.281 309 P C -0.734 176.480 177.300 -0.143 0.000 1.249 309 P CA -0.536 62.490 63.100 -0.123 0.000 0.810 309 P CB 0.814 32.468 31.700 -0.077 0.000 1.008 310 R N 1.141 121.572 120.500 -0.114 0.000 2.537 310 R HA 0.219 4.559 4.340 -0.001 0.000 0.280 310 R C 0.157 176.495 176.300 0.064 0.000 1.058 310 R CA -0.624 55.433 56.100 -0.072 0.000 1.057 310 R CB -0.242 30.005 30.300 -0.089 0.000 0.973 310 R HN 0.386 nan 8.270 nan 0.000 0.438 311 L N 3.464 124.678 121.223 -0.016 0.000 2.461 311 L HA 0.063 4.402 4.340 -0.001 0.000 0.272 311 L C -0.370 176.590 176.870 0.150 0.000 1.197 311 L CA 0.749 55.594 54.840 0.009 0.000 0.836 311 L CB -0.046 41.941 42.059 -0.119 0.000 1.105 311 L HN 0.457 nan 8.230 nan 0.000 0.477 312 Y N 2.642 122.909 120.300 -0.055 0.000 2.462 312 Y HA 0.518 5.067 4.550 -0.001 0.000 0.346 312 Y C -0.718 175.094 175.900 -0.146 0.000 0.976 312 Y CA -0.986 57.001 58.100 -0.189 0.000 1.044 312 Y CB 1.415 39.676 38.460 -0.332 0.000 1.230 312 Y HN 0.493 nan 8.280 nan 0.000 0.455 313 K N 6.412 126.327 120.400 -0.809 0.000 2.502 313 K HA 0.199 4.518 4.320 -0.001 0.000 0.254 313 K C -0.025 176.152 176.600 -0.705 0.000 0.947 313 K CA -0.651 55.318 56.287 -0.530 0.000 0.834 313 K CB 2.151 34.432 32.500 -0.365 0.000 1.112 313 K HN 0.689 nan 8.250 nan 0.000 0.427 314 L N 1.793 122.817 121.223 -0.333 0.000 2.083 314 L HA -0.087 4.253 4.340 -0.001 0.000 0.209 314 L C 0.518 177.144 176.870 -0.407 0.000 1.083 314 L CA 1.926 56.611 54.840 -0.258 0.000 0.752 314 L CB -0.138 41.766 42.059 -0.258 0.000 0.899 314 L HN 0.631 nan 8.230 nan 0.000 0.433 315 D N -0.173 120.007 120.400 -0.366 0.000 2.367 315 D HA 0.361 5.000 4.640 -0.001 0.000 0.255 315 D C 1.123 177.000 176.300 -0.705 0.000 1.300 315 D CA 0.983 54.732 54.000 -0.419 0.000 0.959 315 D CB -0.156 40.532 40.800 -0.188 0.000 1.064 315 D HN 0.499 nan 8.370 nan 0.000 0.509 316 G N 3.003 110.880 108.800 -1.538 0.000 2.253 316 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.209 316 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.209 316 G C 0.622 174.956 174.900 -0.943 0.000 0.997 316 G CA 0.132 44.516 45.100 -1.194 0.000 0.640 316 G HN 1.526 nan 8.290 nan 0.000 0.496 317 A N -0.249 122.057 122.820 -0.857 0.000 2.251 317 A HA 0.215 4.535 4.320 -0.001 0.000 0.283 317 A C 0.491 177.907 177.584 -0.279 0.000 1.415 317 A CA 2.671 54.475 52.037 -0.389 0.000 0.742 317 A CB -1.822 17.151 19.000 -0.045 0.000 1.151 317 A HN 2.256 nan 8.150 nan 0.000 0.354 318 K N -0.365 119.631 120.400 -0.673 0.000 2.546 318 K HA 0.796 5.115 4.320 -0.001 0.000 0.264 318 K C -0.749 175.507 176.600 -0.573 0.000 0.937 318 K CA -1.108 54.934 56.287 -0.408 0.000 0.833 318 K CB 1.297 33.656 32.500 -0.235 0.000 1.378 318 K HN 0.109 nan 8.250 nan 0.000 0.432 319 F N 1.085 120.981 119.950 -0.090 0.000 2.375 319 F HA 0.309 4.836 4.527 -0.001 0.000 0.313 319 F C 0.857 176.632 175.800 -0.041 0.000 1.176 319 F CA 0.658 58.651 58.000 -0.011 0.000 1.142 319 F CB 1.161 40.197 39.000 0.060 0.000 1.275 319 F HN 0.904 nan 8.300 nan 0.000 0.544 320 D N -1.567 118.945 120.400 0.186 0.000 3.603 320 D HA 0.186 4.825 4.640 -0.001 0.000 0.280 320 D C -0.766 175.432 176.300 -0.170 0.000 1.435 320 D CA -0.251 53.777 54.000 0.046 0.000 1.005 320 D CB 0.937 41.694 40.800 -0.071 0.000 1.321 320 D HN 0.448 nan 8.370 nan 0.000 0.639 321 T N -0.310 113.834 114.554 -0.683 0.000 2.754 321 T HA 0.503 4.853 4.350 -0.001 0.000 0.286 321 T C -0.180 174.095 174.700 -0.708 0.000 0.997 321 T CA -0.188 61.187 62.100 -1.208 0.000 0.982 321 T CB 0.137 67.864 68.868 -1.902 0.000 1.027 321 T HN 0.172 nan 8.240 nan 0.000 0.529 322 I N 2.625 122.682 120.570 -0.854 0.000 2.389 322 I HA 0.352 4.521 4.170 -0.001 0.000 0.288 322 I C -0.074 175.628 176.117 -0.691 0.000 0.999 322 I CA -0.689 60.143 61.300 -0.780 0.000 1.129 322 I CB 1.661 38.995 38.000 -1.110 0.000 1.288 322 I HN 0.479 nan 8.210 nan 0.000 0.444 323 K N 7.450 127.577 120.400 -0.456 0.000 2.264 323 K HA 0.399 4.719 4.320 -0.001 0.000 0.277 323 K C -2.490 173.957 176.600 -0.255 0.000 1.067 323 K CA -1.721 54.370 56.287 -0.327 0.000 0.900 323 K CB 0.678 33.032 32.500 -0.244 0.000 1.124 323 K HN 0.186 nan 8.250 nan 0.000 0.469 324 P HA -0.064 nan 4.420 nan 0.000 0.265 324 P C 0.294 177.541 177.300 -0.088 0.000 1.193 324 P CA 0.140 63.159 63.100 -0.135 0.000 0.765 324 P CB 0.711 32.349 31.700 -0.104 0.000 0.823 325 E N 1.301 121.468 120.200 -0.055 0.000 2.086 325 E HA -0.058 4.291 4.350 -0.001 0.000 0.190 325 E C 0.560 177.157 176.600 -0.005 0.000 0.975 325 E CA 0.916 57.296 56.400 -0.033 0.000 0.813 325 E CB -0.111 29.575 29.700 -0.024 0.000 0.768 325 E HN 0.438 nan 8.360 nan 0.000 0.457 326 N N 1.621 120.335 118.700 0.024 0.000 2.414 326 N HA 0.021 4.761 4.740 -0.001 0.000 0.256 326 N C 0.425 175.968 175.510 0.055 0.000 1.029 326 N CA 0.081 53.161 53.050 0.050 0.000 0.948 326 N CB 0.902 39.440 38.487 0.086 0.000 1.102 326 N HN -0.056 nan 8.380 nan 0.000 0.496 327 K N 2.334 122.757 120.400 0.038 0.000 2.283 327 K HA -0.102 4.218 4.320 -0.001 0.000 0.202 327 K C 0.888 177.527 176.600 0.065 0.000 1.048 327 K CA 1.125 57.431 56.287 0.032 0.000 0.948 327 K CB 0.451 32.961 32.500 0.017 0.000 0.742 327 K HN 0.531 nan 8.250 nan 0.000 0.458 328 E N 0.625 120.879 120.200 0.091 0.000 2.042 328 E HA -0.079 4.270 4.350 -0.001 0.000 0.189 328 E C 1.838 178.560 176.600 0.202 0.000 0.974 328 E CA 0.906 57.379 56.400 0.122 0.000 0.806 328 E CB 0.100 29.860 29.700 0.099 0.000 0.769 328 E HN 0.392 nan 8.360 nan 0.000 0.451 329 I N -3.034 117.676 120.570 0.233 0.000 3.427 329 I HA 0.364 4.534 4.170 -0.001 0.000 0.288 329 I C 1.112 177.567 176.117 0.563 0.000 1.249 329 I CA 0.505 62.029 61.300 0.373 0.000 1.421 329 I CB 0.161 38.353 38.000 0.319 0.000 1.086 329 I HN 0.111 nan 8.210 nan 0.000 0.448 330 G N 1.413 110.411 108.800 0.329 0.000 2.642 330 G HA2 0.035 3.994 3.960 -0.001 0.000 0.231 330 G HA3 0.035 3.994 3.960 -0.001 0.000 0.231 330 G C -0.301 174.719 174.900 0.200 0.000 1.338 330 G CA -0.223 44.984 45.100 0.178 0.000 0.883 330 G HN 1.083 nan 8.290 nan 0.000 0.570 331 A N -1.111 121.751 122.820 0.071 0.000 2.350 331 A HA 0.765 5.084 4.320 -0.001 0.000 0.324 331 A C -1.023 176.670 177.584 0.182 0.000 1.118 331 A CA -0.226 51.894 52.037 0.137 0.000 0.783 331 A CB 1.057 20.036 19.000 -0.035 0.000 1.236 331 A HN 1.183 nan 8.150 nan 0.000 0.457 332 W N 0.566 122.031 121.300 0.275 0.000 2.656 332 W HA 0.612 5.271 4.660 -0.001 0.000 0.327 332 W C 0.122 176.767 176.519 0.210 0.000 1.041 332 W CA -0.077 57.443 57.345 0.291 0.000 1.229 332 W CB 1.649 31.233 29.460 0.208 0.000 1.397 332 W HN 0.764 nan 8.180 nan 0.000 0.479 333 E N 3.717 124.198 120.200 0.469 0.000 2.272 333 E HA 0.567 4.916 4.350 -0.001 0.000 0.269 333 E C -1.556 175.280 176.600 0.392 0.000 0.877 333 E CA -0.572 56.044 56.400 0.361 0.000 0.755 333 E CB 1.473 31.406 29.700 0.388 0.000 1.192 333 E HN 0.477 nan 8.360 nan 0.000 0.422 334 L N 4.808 126.247 121.223 0.361 0.000 2.334 334 L HA 0.656 4.996 4.340 -0.001 0.000 0.273 334 L C -0.582 176.530 176.870 0.403 0.000 1.013 334 L CA -1.038 54.005 54.840 0.338 0.000 0.816 334 L CB 0.982 43.214 42.059 0.288 0.000 1.278 334 L HN 0.540 nan 8.230 nan 0.000 0.431 335 F N 1.292 121.368 119.950 0.211 0.000 2.631 335 F HA 0.631 5.158 4.527 -0.001 0.000 0.308 335 F C -1.604 174.353 175.800 0.261 0.000 1.097 335 F CA -1.161 56.957 58.000 0.197 0.000 0.952 335 F CB 1.344 40.413 39.000 0.115 0.000 1.307 335 F HN 0.335 nan 8.300 nan 0.000 0.450 336 Y N 2.497 122.931 120.300 0.223 0.000 2.425 336 Y HA 0.732 5.282 4.550 -0.001 0.000 0.344 336 Y C -1.263 174.846 175.900 0.348 0.000 0.969 336 Y CA -1.147 57.055 58.100 0.169 0.000 1.052 336 Y CB 1.725 40.281 38.460 0.159 0.000 1.215 336 Y HN 1.004 nan 8.280 nan 0.000 0.451 337 R N 4.908 125.118 120.500 -0.484 0.000 2.628 337 R HA 0.391 4.731 4.340 -0.001 0.000 0.288 337 R C -2.365 173.559 176.300 -0.627 0.000 0.980 337 R CA -0.848 55.040 56.100 -0.353 0.000 0.891 337 R CB 1.512 31.809 30.300 -0.005 0.000 1.188 337 R HN 0.789 nan 8.270 nan 0.000 0.450 338 Y N 2.485 122.547 120.300 -0.397 0.000 2.335 338 Y HA 0.396 4.946 4.550 -0.001 0.000 0.338 338 Y C -1.378 174.446 175.900 -0.127 0.000 0.977 338 Y CA -0.603 57.359 58.100 -0.231 0.000 1.114 338 Y CB 1.589 40.079 38.460 0.050 0.000 1.182 338 Y HN 0.646 nan 8.280 nan 0.000 0.463 339 D N 2.580 122.510 120.400 -0.783 0.000 2.457 339 D HA 0.559 5.198 4.640 -0.001 0.000 0.240 339 D C -1.368 174.338 176.300 -0.991 0.000 1.041 339 D CA -0.496 53.104 54.000 -0.666 0.000 0.861 339 D CB 2.038 42.599 40.800 -0.397 0.000 1.394 339 D HN 0.343 nan 8.370 nan 0.000 0.473 340 S N 1.265 116.477 115.700 -0.815 0.000 2.649 340 S HA 0.638 5.107 4.470 -0.001 0.000 0.274 340 S C -1.350 173.050 174.600 -0.333 0.000 1.176 340 S CA -0.736 57.085 58.200 -0.632 0.000 0.988 340 S CB 0.077 62.825 63.200 -0.754 0.000 1.071 340 S HN 0.470 nan 8.310 nan 0.000 0.478 341 I N 1.268 121.737 120.570 -0.168 0.000 2.785 341 I HA 0.761 4.930 4.170 -0.001 0.000 0.302 341 I C -1.092 175.061 176.117 0.060 0.000 1.069 341 I CA -0.987 60.281 61.300 -0.055 0.000 1.045 341 I CB 2.251 40.184 38.000 -0.112 0.000 1.236 341 I HN 0.581 nan 8.210 nan 0.000 0.429 342 K N 3.791 124.250 120.400 0.098 0.000 2.507 342 K HA 0.693 5.013 4.320 -0.001 0.000 0.251 342 K C -2.143 174.547 176.600 0.149 0.000 0.943 342 K CA -0.592 55.779 56.287 0.140 0.000 0.794 342 K CB 2.599 35.175 32.500 0.127 0.000 1.188 342 K HN 0.637 nan 8.250 nan 0.000 0.428 343 V N 3.856 123.886 119.914 0.194 0.000 2.444 343 V HA 0.317 4.436 4.120 -0.001 0.000 0.294 343 V C -0.937 175.235 176.094 0.129 0.000 1.022 343 V CA -0.765 61.640 62.300 0.175 0.000 0.850 343 V CB 1.596 33.577 31.823 0.264 0.000 0.992 343 V HN 0.798 nan 8.190 nan 0.000 0.426 344 E N 3.425 123.692 120.200 0.112 0.000 2.092 344 E HA 0.457 4.806 4.350 -0.001 0.000 0.271 344 E C -1.178 175.487 176.600 0.108 0.000 0.919 344 E CA -0.480 55.979 56.400 0.099 0.000 0.760 344 E CB 1.780 31.537 29.700 0.096 0.000 1.106 344 E HN 0.553 nan 8.360 nan 0.000 0.408 345 D N 2.982 123.444 120.400 0.104 0.000 2.389 345 D HA 0.126 4.766 4.640 -0.001 0.000 0.256 345 D C -0.466 175.892 176.300 0.098 0.000 1.239 345 D CA -0.469 53.605 54.000 0.122 0.000 0.925 345 D CB 0.915 41.797 40.800 0.136 0.000 1.145 345 D HN 0.175 nan 8.370 nan 0.000 0.542 346 D N 1.943 122.400 120.400 0.095 0.000 2.363 346 D HA -0.013 4.627 4.640 -0.001 0.000 0.226 346 D C 1.110 177.446 176.300 0.061 0.000 1.020 346 D CA 0.304 54.346 54.000 0.070 0.000 0.892 346 D CB 0.116 40.956 40.800 0.066 0.000 0.900 346 D HN 0.490 nan 8.370 nan 0.000 0.531 347 N N -0.159 118.585 118.700 0.073 0.000 2.381 347 N HA -0.011 4.728 4.740 -0.001 0.000 0.182 347 N C 0.297 175.832 175.510 0.042 0.000 1.025 347 N CA 0.364 53.444 53.050 0.050 0.000 0.888 347 N CB 0.225 38.744 38.487 0.054 0.000 0.965 347 N HN 0.190 nan 8.380 nan 0.000 0.438 348 I N 1.644 122.244 120.570 0.051 0.000 2.329 348 I HA -0.007 4.163 4.170 -0.001 0.000 0.295 348 I C 0.923 177.058 176.117 0.029 0.000 1.109 348 I CA -0.255 61.068 61.300 0.039 0.000 1.297 348 I CB 0.656 38.681 38.000 0.042 0.000 1.433 348 I HN 0.016 nan 8.210 nan 0.000 0.509 349 V N 4.585 124.513 119.914 0.022 0.000 3.604 349 V HA 0.221 4.340 4.120 -0.001 0.000 0.277 349 V C 0.409 176.512 176.094 0.014 0.000 1.399 349 V CA -0.068 62.243 62.300 0.018 0.000 1.034 349 V CB 0.264 32.097 31.823 0.016 0.000 0.824 349 V HN 0.424 nan 8.190 nan 0.000 0.439 350 V N -1.763 118.159 119.914 0.013 0.000 2.680 350 V HA 0.680 4.799 4.120 -0.001 0.000 0.309 350 V C -0.726 175.374 176.094 0.010 0.000 1.052 350 V CA -0.697 61.610 62.300 0.011 0.000 0.908 350 V CB 1.583 33.411 31.823 0.009 0.000 1.001 350 V HN 0.125 nan 8.190 nan 0.000 0.431 351 D N 2.670 123.074 120.400 0.007 0.000 2.382 351 D HA 0.493 5.132 4.640 -0.001 0.000 0.240 351 D C 0.546 176.850 176.300 0.006 0.000 1.146 351 D CA 0.579 54.582 54.000 0.005 0.000 0.897 351 D CB 1.494 42.296 40.800 0.004 0.000 1.197 351 D HN 1.066 nan 8.370 nan 0.000 0.432 352 S N -0.642 115.061 115.700 0.005 0.000 2.811 352 S HA 0.659 5.129 4.470 -0.001 0.000 0.311 352 S C 0.871 175.475 174.600 0.006 0.000 1.152 352 S CA -0.289 57.915 58.200 0.007 0.000 0.864 352 S CB 1.336 64.542 63.200 0.010 0.000 1.226 352 S HN 0.296 nan 8.310 nan 0.000 0.541 353 A N 0.490 123.314 122.820 0.007 0.000 2.070 353 A HA 0.092 4.411 4.320 -0.001 0.000 0.220 353 A C 1.879 179.467 177.584 0.008 0.000 1.159 353 A CA 1.989 54.030 52.037 0.008 0.000 0.656 353 A CB -1.291 17.713 19.000 0.008 0.000 0.800 353 A HN 1.311 nan 8.150 nan 0.000 0.453 354 T N -4.996 109.563 114.554 0.008 0.000 3.016 354 T HA 0.417 4.767 4.350 -0.001 0.000 0.271 354 T C 0.360 175.060 174.700 0.001 0.000 0.968 354 T CA -0.085 62.022 62.100 0.011 0.000 0.891 354 T CB 0.124 68.999 68.868 0.012 0.000 1.149 354 T HN 0.245 nan 8.240 nan 0.000 0.524 355 R N 1.394 121.890 120.500 -0.006 0.000 2.502 355 R HA 0.518 4.858 4.340 -0.001 0.000 0.300 355 R C -1.396 174.893 176.300 -0.019 0.000 0.984 355 R CA -0.338 55.747 56.100 -0.024 0.000 0.882 355 R CB 1.251 31.541 30.300 -0.017 0.000 1.180 355 R HN 0.238 nan 8.270 nan 0.000 0.444 356 E N 2.553 122.735 120.200 -0.031 0.000 2.277 356 E HA 0.247 4.596 4.350 -0.001 0.000 0.274 356 E C -0.407 176.183 176.600 -0.017 0.000 1.022 356 E CA -0.995 55.394 56.400 -0.020 0.000 0.853 356 E CB 1.771 31.457 29.700 -0.022 0.000 1.086 356 E HN 0.311 nan 8.360 nan 0.000 0.397 357 V N 2.470 122.382 119.914 -0.004 0.000 2.694 357 V HA 0.307 4.427 4.120 -0.001 0.000 0.306 357 V C 0.804 176.900 176.094 0.003 0.000 1.054 357 V CA 1.361 63.663 62.300 0.004 0.000 1.161 357 V CB 0.137 31.966 31.823 0.010 0.000 0.916 357 V HN 0.971 nan 8.190 nan 0.000 0.490 358 G N 4.521 113.327 108.800 0.009 0.000 2.343 358 G HA2 -0.042 3.917 3.960 -0.001 0.000 0.562 358 G HA3 -0.042 3.917 3.960 -0.001 0.000 0.562 358 G C -1.274 173.633 174.900 0.010 0.000 1.269 358 G CA -0.793 44.315 45.100 0.013 0.000 1.011 358 G HN 0.613 nan 8.290 nan 0.000 0.498 359 D N 1.149 121.560 120.400 0.018 0.000 2.383 359 D HA 0.527 5.166 4.640 -0.001 0.000 0.252 359 D C 0.846 177.137 176.300 -0.016 0.000 1.166 359 D CA 1.030 55.045 54.000 0.025 0.000 0.879 359 D CB 1.340 42.169 40.800 0.048 0.000 1.164 359 D HN 0.933 nan 8.370 nan 0.000 0.462 360 A N 3.483 126.278 122.820 -0.041 0.000 2.366 360 A HA 0.363 4.682 4.320 -0.001 0.000 0.272 360 A C 0.292 177.847 177.584 -0.048 0.000 1.135 360 A CA -0.295 51.625 52.037 -0.194 0.000 0.804 360 A CB 0.407 19.137 19.000 -0.449 0.000 1.064 360 A HN 0.438 nan 8.150 nan 0.000 0.499 361 K N 1.046 121.399 120.400 -0.078 0.000 2.318 361 K HA 0.683 5.003 4.320 -0.001 0.000 0.249 361 K C -0.215 176.466 176.600 0.134 0.000 0.942 361 K CA -0.497 55.842 56.287 0.085 0.000 0.808 361 K CB 2.636 35.158 32.500 0.037 0.000 1.189 361 K HN 0.827 nan 8.250 nan 0.000 0.428 362 G N 1.755 110.677 108.800 0.202 0.000 2.701 362 G HA2 0.507 4.466 3.960 -0.001 0.000 0.300 362 G HA3 0.507 4.466 3.960 -0.001 0.000 0.300 362 G C -1.611 173.241 174.900 -0.081 0.000 1.410 362 G CA -0.733 44.424 45.100 0.095 0.000 1.014 362 G HN 0.545 nan 8.290 nan 0.000 0.509 363 K N -0.256 120.060 120.400 -0.140 0.000 2.469 363 K HA 0.850 5.169 4.320 -0.001 0.000 0.254 363 K C -0.908 175.548 176.600 -0.240 0.000 0.939 363 K CA -0.853 55.270 56.287 -0.272 0.000 0.812 363 K CB 2.363 34.719 32.500 -0.239 0.000 1.301 363 K HN 0.616 nan 8.250 nan 0.000 0.433 364 T N -1.371 112.969 114.554 -0.355 0.000 2.906 364 T HA 0.403 4.753 4.350 -0.001 0.000 0.295 364 T C -0.796 173.735 174.700 -0.282 0.000 1.061 364 T CA -0.867 61.117 62.100 -0.192 0.000 1.000 364 T CB 1.226 70.038 68.868 -0.093 0.000 1.103 364 T HN 0.603 nan 8.240 nan 0.000 0.486 365 H N 1.150 120.288 119.070 0.113 0.000 2.481 365 H HA 0.509 5.065 4.556 -0.001 0.000 0.333 365 H C -0.507 174.880 175.328 0.098 0.000 1.066 365 H CA -0.522 55.631 56.048 0.175 0.000 1.209 365 H CB 1.902 31.869 29.762 0.342 0.000 1.445 365 H HN 0.670 nan 8.280 nan 0.000 0.488 366 T N 4.260 118.852 114.554 0.063 0.000 2.812 366 T HA 0.328 4.678 4.350 -0.001 0.000 0.282 366 T C -0.370 174.339 174.700 0.015 0.000 0.990 366 T CA -0.618 61.524 62.100 0.071 0.000 0.960 366 T CB 1.280 70.200 68.868 0.088 0.000 0.948 366 T HN 0.205 nan 8.240 nan 0.000 0.438 367 L N 3.053 124.291 121.223 0.025 0.000 2.385 367 L HA 0.876 5.216 4.340 -0.001 0.000 0.273 367 L C -0.059 176.656 176.870 -0.257 0.000 0.990 367 L CA 0.159 54.946 54.840 -0.088 0.000 0.821 367 L CB 1.511 43.626 42.059 0.093 0.000 1.279 367 L HN 0.828 nan 8.230 nan 0.000 0.412 368 G N 2.580 110.949 108.800 -0.717 0.000 2.684 368 G HA2 0.624 4.584 3.960 -0.001 0.000 0.290 368 G HA3 0.624 4.584 3.960 -0.001 0.000 0.290 368 G C -2.242 172.561 174.900 -0.161 0.000 1.425 368 G CA -0.493 44.293 45.100 -0.523 0.000 0.822 368 G HN 0.636 nan 8.290 nan 0.000 0.482 369 V N 0.397 120.411 119.914 0.167 0.000 2.686 369 V HA 0.684 4.804 4.120 -0.001 0.000 0.306 369 V C -1.599 174.669 176.094 0.291 0.000 1.065 369 V CA -1.123 61.355 62.300 0.296 0.000 0.894 369 V CB 2.094 34.114 31.823 0.330 0.000 1.004 369 V HN 0.679 nan 8.190 nan 0.000 0.424 370 N N 5.184 124.042 118.700 0.263 0.000 2.392 370 N HA 0.350 5.089 4.740 -0.001 0.000 0.283 370 N C -1.624 173.844 175.510 -0.069 0.000 1.003 370 N CA -0.226 52.827 53.050 0.005 0.000 0.892 370 N CB 2.070 40.452 38.487 -0.175 0.000 1.193 370 N HN 0.828 nan 8.380 nan 0.000 0.487 371 W N 4.356 125.349 121.300 -0.511 0.000 2.291 371 W HA 0.363 5.023 4.660 -0.001 0.000 0.312 371 W C -1.145 175.019 176.519 -0.590 0.000 1.061 371 W CA -1.059 55.773 57.345 -0.855 0.000 1.296 371 W CB 0.018 28.736 29.460 -1.236 0.000 1.223 371 W HN 0.407 nan 8.180 nan 0.000 0.421 372 Y N 6.271 126.203 120.300 -0.614 0.000 2.600 372 Y HA 0.330 4.880 4.550 -0.001 0.000 0.351 372 Y C 1.463 176.737 175.900 -1.044 0.000 1.042 372 Y CA 0.094 57.824 58.100 -0.617 0.000 1.333 372 Y CB 0.380 38.640 38.460 -0.334 0.000 1.172 372 Y HN 0.636 nan 8.280 nan 0.000 0.517 373 A N 3.356 125.341 122.820 -1.392 0.000 1.933 373 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 373 A C 0.701 177.939 177.584 -0.576 0.000 1.175 373 A CA 2.081 53.225 52.037 -1.488 0.000 0.628 373 A CB -0.493 17.629 19.000 -1.464 0.000 0.814 373 A HN 0.914 nan 8.150 nan 0.000 0.444 374 N N -3.986 114.470 118.700 -0.407 0.000 3.395 374 N HA 0.123 4.862 4.740 -0.001 0.000 0.293 374 N C -0.345 175.068 175.510 -0.162 0.000 1.489 374 N CA -0.185 52.730 53.050 -0.226 0.000 0.871 374 N CB -0.087 38.284 38.487 -0.193 0.000 1.649 374 N HN -0.036 nan 8.380 nan 0.000 0.501 375 E N -0.895 119.234 120.200 -0.119 0.000 2.478 375 E HA 0.044 4.394 4.350 -0.001 0.000 0.198 375 E C 0.887 177.495 176.600 0.013 0.000 1.046 375 E CA 0.909 57.273 56.400 -0.060 0.000 0.870 375 E CB -0.061 29.592 29.700 -0.078 0.000 0.818 375 E HN 0.551 nan 8.360 nan 0.000 0.527 376 A N 0.623 123.374 122.820 -0.115 0.000 1.956 376 A HA 0.106 4.426 4.320 -0.001 0.000 0.212 376 A C 1.019 178.401 177.584 -0.338 0.000 1.188 376 A CA 0.224 52.123 52.037 -0.230 0.000 0.675 376 A CB 0.712 19.455 19.000 -0.429 0.000 0.845 376 A HN 0.028 nan 8.150 nan 0.000 0.455 377 V N 0.709 120.418 119.914 -0.342 0.000 2.487 377 V HA 0.441 4.561 4.120 -0.001 0.000 0.298 377 V C -0.436 175.451 176.094 -0.345 0.000 1.028 377 V CA -0.676 61.403 62.300 -0.368 0.000 0.860 377 V CB 1.547 33.119 31.823 -0.418 0.000 0.991 377 V HN 0.412 nan 8.190 nan 0.000 0.427 378 K N 3.841 124.072 120.400 -0.282 0.000 2.397 378 K HA 0.778 5.098 4.320 -0.001 0.000 0.253 378 K C -1.744 174.704 176.600 -0.254 0.000 0.932 378 K CA -0.487 55.583 56.287 -0.361 0.000 0.795 378 K CB 2.218 34.509 32.500 -0.349 0.000 1.159 378 K HN 0.471 nan 8.250 nan 0.000 0.424 379 V N 2.565 122.350 119.914 -0.214 0.000 2.459 379 V HA 0.514 4.634 4.120 -0.001 0.000 0.295 379 V C -0.655 175.420 176.094 -0.033 0.000 1.029 379 V CA -0.673 61.605 62.300 -0.038 0.000 0.874 379 V CB 1.674 33.589 31.823 0.154 0.000 0.985 379 V HN 0.844 nan 8.190 nan 0.000 0.438 380 S N 2.220 117.914 115.700 -0.009 0.000 2.569 380 S HA 0.928 5.398 4.470 -0.001 0.000 0.280 380 S C -0.520 174.109 174.600 0.048 0.000 1.111 380 S CA -0.543 57.672 58.200 0.025 0.000 0.887 380 S CB 2.093 65.290 63.200 -0.005 0.000 1.095 380 S HN 1.188 nan 8.310 nan 0.000 0.476 381 A N 2.179 125.049 122.820 0.082 0.000 2.455 381 A HA 0.828 5.148 4.320 -0.001 0.000 0.300 381 A C -1.433 176.175 177.584 0.039 0.000 1.040 381 A CA -0.802 51.246 52.037 0.019 0.000 0.697 381 A CB 1.000 20.002 19.000 0.003 0.000 1.265 381 A HN 0.629 nan 8.150 nan 0.000 0.407 382 N N 0.439 119.118 118.700 -0.036 0.000 2.296 382 N HA 0.551 5.291 4.740 -0.001 0.000 0.294 382 N C -1.761 173.683 175.510 -0.110 0.000 1.033 382 N CA -0.143 52.913 53.050 0.010 0.000 0.839 382 N CB 1.161 39.707 38.487 0.099 0.000 1.395 382 N HN 0.565 nan 8.380 nan 0.000 0.479 383 Y N 0.316 120.628 120.300 0.020 0.000 2.320 383 Y HA 0.538 5.088 4.550 -0.001 0.000 0.334 383 Y C 0.195 176.136 175.900 0.068 0.000 1.055 383 Y CA -0.691 57.437 58.100 0.046 0.000 1.143 383 Y CB 1.164 39.653 38.460 0.048 0.000 1.193 383 Y HN 0.094 nan 8.280 nan 0.000 0.477 384 V N 3.854 123.901 119.914 0.223 0.000 2.656 384 V HA 0.455 4.574 4.120 -0.001 0.000 0.307 384 V C -0.665 175.600 176.094 0.286 0.000 1.051 384 V CA -1.407 61.021 62.300 0.213 0.000 0.893 384 V CB 1.885 33.788 31.823 0.133 0.000 0.999 384 V HN 0.638 nan 8.190 nan 0.000 0.426 385 K N 2.694 123.268 120.400 0.289 0.000 2.426 385 K HA 0.840 5.159 4.320 -0.001 0.000 0.254 385 K C -0.769 175.970 176.600 0.232 0.000 0.936 385 K CA -0.393 56.062 56.287 0.280 0.000 0.801 385 K CB 1.933 34.586 32.500 0.256 0.000 1.139 385 K HN 0.919 nan 8.250 nan 0.000 0.424 386 A N 3.346 126.251 122.820 0.141 0.000 2.355 386 A HA 0.672 4.991 4.320 -0.001 0.000 0.324 386 A C -1.339 176.198 177.584 -0.078 0.000 1.117 386 A CA -0.655 51.368 52.037 -0.023 0.000 0.785 386 A CB 1.404 20.272 19.000 -0.220 0.000 1.254 386 A HN 0.591 nan 8.150 nan 0.000 0.453 387 K N 0.854 121.187 120.400 -0.111 0.000 2.565 387 K HA 0.585 4.904 4.320 -0.001 0.000 0.249 387 K C -0.546 175.948 176.600 -0.177 0.000 0.958 387 K CA 0.060 56.282 56.287 -0.109 0.000 0.806 387 K CB 1.507 34.011 32.500 0.008 0.000 1.194 387 K HN 0.897 nan 8.250 nan 0.000 0.434 388 T N -0.323 114.077 114.554 -0.256 0.000 2.942 388 T HA 0.629 4.979 4.350 -0.001 0.000 0.289 388 T C -0.998 173.606 174.700 -0.159 0.000 1.044 388 T CA -0.767 61.177 62.100 -0.260 0.000 1.023 388 T CB 1.628 70.203 68.868 -0.489 0.000 1.123 388 T HN 0.440 nan 8.240 nan 0.000 0.512 389 D N -0.509 119.801 120.400 -0.151 0.000 2.757 389 D HA 0.379 5.019 4.640 -0.001 0.000 0.249 389 D C -0.216 176.000 176.300 -0.140 0.000 1.168 389 D CA -0.595 53.343 54.000 -0.103 0.000 0.870 389 D CB 1.015 41.785 40.800 -0.051 0.000 1.411 389 D HN 0.773 nan 8.370 nan 0.000 0.525 390 K N 0.957 121.295 120.400 -0.103 0.000 3.500 390 K HA -0.214 4.105 4.320 -0.001 0.000 0.313 390 K C -0.290 176.226 176.600 -0.140 0.000 1.338 390 K CA 0.797 57.024 56.287 -0.101 0.000 0.963 390 K CB -1.434 31.014 32.500 -0.086 0.000 1.267 390 K HN 0.590 nan 8.250 nan 0.000 0.448 391 I N 0.166 120.632 120.570 -0.173 0.000 2.722 391 I HA 0.376 4.546 4.170 -0.001 0.000 0.295 391 I C -0.684 175.446 176.117 0.022 0.000 1.161 391 I CA -0.327 60.892 61.300 -0.135 0.000 1.032 391 I CB 1.990 39.783 38.000 -0.345 0.000 1.244 391 I HN 0.190 nan 8.210 nan 0.000 0.421 392 S N 4.102 119.879 115.700 0.128 0.000 2.705 392 S HA 0.587 5.057 4.470 -0.001 0.000 0.280 392 S C -0.977 173.700 174.600 0.129 0.000 1.174 392 S CA -0.934 57.399 58.200 0.223 0.000 0.823 392 S CB 1.476 64.737 63.200 0.101 0.000 1.162 392 S HN 0.753 nan 8.310 nan 0.000 0.487 393 N N 0.429 119.151 118.700 0.036 0.000 2.364 393 N HA 0.483 5.222 4.740 -0.001 0.000 0.264 393 N C 1.266 176.766 175.510 -0.016 0.000 1.263 393 N CA -0.154 52.846 53.050 -0.083 0.000 0.959 393 N CB -0.240 38.162 38.487 -0.142 0.000 1.204 393 N HN 0.900 nan 8.380 nan 0.000 0.550 394 A N -0.409 122.397 122.820 -0.022 0.000 2.019 394 A HA -0.203 4.117 4.320 -0.001 0.000 0.219 394 A C 1.761 179.348 177.584 0.005 0.000 1.164 394 A CA 1.623 53.657 52.037 -0.004 0.000 0.644 394 A CB -1.075 17.922 19.000 -0.005 0.000 0.805 394 A HN 0.799 nan 8.150 nan 0.000 0.449 395 N N -0.839 117.865 118.700 0.007 0.000 2.521 395 N HA 0.134 4.874 4.740 -0.001 0.000 0.188 395 N C 1.043 176.568 175.510 0.025 0.000 1.146 395 N CA 1.199 54.259 53.050 0.017 0.000 0.893 395 N CB -0.123 38.376 38.487 0.020 0.000 0.975 395 N HN 0.573 nan 8.380 nan 0.000 0.451 396 G N -0.224 108.593 108.800 0.029 0.000 2.148 396 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.254 396 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.254 396 G C -0.649 174.283 174.900 0.053 0.000 0.981 396 G CA 0.167 45.289 45.100 0.037 0.000 0.670 396 G HN 0.389 nan 8.290 nan 0.000 0.528 397 D N 0.944 121.386 120.400 0.071 0.000 2.389 397 D HA 0.374 5.014 4.640 -0.001 0.000 0.247 397 D C 0.883 177.274 176.300 0.153 0.000 1.128 397 D CA 0.609 54.666 54.000 0.096 0.000 0.884 397 D CB 1.173 42.034 40.800 0.101 0.000 1.194 397 D HN 0.437 nan 8.370 nan 0.000 0.441 398 D N -1.135 119.318 120.400 0.088 0.000 2.479 398 D HA -0.008 4.632 4.640 -0.001 0.000 0.218 398 D C -0.178 176.087 176.300 -0.058 0.000 1.177 398 D CA -0.403 53.608 54.000 0.019 0.000 0.830 398 D CB 0.070 40.855 40.800 -0.025 0.000 1.014 398 D HN 0.130 nan 8.370 nan 0.000 0.503 399 S N -1.394 114.316 115.700 0.017 0.000 2.549 399 S HA 0.836 5.306 4.470 -0.001 0.000 0.280 399 S C -0.142 174.484 174.600 0.042 0.000 1.109 399 S CA -0.502 57.695 58.200 -0.004 0.000 0.905 399 S CB 2.284 65.500 63.200 0.027 0.000 1.081 399 S HN 0.313 nan 8.310 nan 0.000 0.477 400 G N 0.762 109.561 108.800 -0.002 0.000 2.690 400 G HA2 0.642 4.602 3.960 -0.001 0.000 0.293 400 G HA3 0.642 4.602 3.960 -0.001 0.000 0.293 400 G C -2.140 172.923 174.900 0.272 0.000 1.399 400 G CA -0.712 44.431 45.100 0.071 0.000 0.890 400 G HN 0.676 nan 8.290 nan 0.000 0.485 401 D N -0.611 120.044 120.400 0.425 0.000 2.575 401 D HA 0.658 5.298 4.640 -0.001 0.000 0.236 401 D C -0.233 176.309 176.300 0.404 0.000 1.075 401 D CA -0.184 54.056 54.000 0.399 0.000 0.860 401 D CB 2.504 43.457 40.800 0.255 0.000 1.475 401 D HN 0.724 nan 8.370 nan 0.000 0.474 402 G N 0.247 109.201 108.800 0.256 0.000 2.706 402 G HA2 0.518 4.477 3.960 -0.001 0.000 0.297 402 G HA3 0.518 4.477 3.960 -0.001 0.000 0.297 402 G C -1.936 172.986 174.900 0.036 0.000 1.403 402 G CA -0.486 44.667 45.100 0.088 0.000 0.954 402 G HN 0.287 nan 8.290 nan 0.000 0.500 403 L N 1.916 123.113 121.223 -0.042 0.000 2.376 403 L HA 0.840 5.180 4.340 -0.001 0.000 0.275 403 L C -1.125 175.641 176.870 -0.173 0.000 0.987 403 L CA -1.042 53.674 54.840 -0.207 0.000 0.828 403 L CB 1.857 43.739 42.059 -0.295 0.000 1.249 403 L HN 0.568 nan 8.230 nan 0.000 0.409 404 V N 6.564 126.370 119.914 -0.179 0.000 2.656 404 V HA 0.674 4.793 4.120 -0.001 0.000 0.307 404 V C -0.681 175.354 176.094 -0.100 0.000 1.051 404 V CA -0.469 61.758 62.300 -0.121 0.000 0.893 404 V CB 2.048 33.821 31.823 -0.083 0.000 0.999 404 V HN 0.892 nan 8.190 nan 0.000 0.426 405 M N 6.230 125.793 119.600 -0.062 0.000 2.602 405 M HA 0.665 5.145 4.480 -0.001 0.000 0.312 405 M C -0.722 175.553 176.300 -0.042 0.000 1.181 405 M CA -0.721 54.562 55.300 -0.029 0.000 0.910 405 M CB 2.478 35.085 32.600 0.012 0.000 1.723 405 M HN 0.647 nan 8.290 nan 0.000 0.459 406 R N 1.972 122.449 120.500 -0.038 0.000 2.621 406 R HA 0.647 4.986 4.340 -0.001 0.000 0.284 406 R C -2.220 174.056 176.300 -0.040 0.000 0.998 406 R CA -0.770 55.292 56.100 -0.064 0.000 0.895 406 R CB 1.882 32.133 30.300 -0.081 0.000 1.195 406 R HN 0.650 nan 8.270 nan 0.000 0.450 407 L N 3.499 124.703 121.223 -0.032 0.000 2.287 407 L HA 0.425 4.765 4.340 -0.001 0.000 0.287 407 L C -0.930 175.935 176.870 -0.008 0.000 1.022 407 L CA 0.071 54.907 54.840 -0.007 0.000 0.814 407 L CB 1.577 43.654 42.059 0.030 0.000 1.217 407 L HN 0.726 nan 8.230 nan 0.000 0.420 408 Q N 4.191 123.964 119.800 -0.044 0.000 2.312 408 Q HA 0.347 4.686 4.340 -0.001 0.000 0.263 408 Q C -2.052 173.950 176.000 0.003 0.000 0.995 408 Q CA -0.674 55.098 55.803 -0.052 0.000 0.853 408 Q CB 1.653 30.300 28.738 -0.152 0.000 1.300 408 Q HN 0.753 nan 8.270 nan 0.000 0.448 409 Y N 3.818 124.080 120.300 -0.062 0.000 2.338 409 Y HA 0.515 5.064 4.550 -0.001 0.000 0.333 409 Y C -1.135 174.771 175.900 0.010 0.000 0.968 409 Y CA -0.965 57.129 58.100 -0.009 0.000 1.123 409 Y CB 1.569 40.047 38.460 0.029 0.000 1.165 409 Y HN 0.532 nan 8.280 nan 0.000 0.452 410 V N 4.410 124.440 119.914 0.194 0.000 2.628 410 V HA 0.803 4.923 4.120 -0.001 0.000 0.306 410 V C -1.129 175.151 176.094 0.311 0.000 1.045 410 V CA -0.765 61.604 62.300 0.116 0.000 0.905 410 V CB 1.416 33.170 31.823 -0.114 0.000 0.997 410 V HN 0.708 nan 8.190 nan 0.000 0.436 411 F N 0.000 120.010 119.950 0.100 0.000 2.286 411 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 411 F CA 0.000 58.052 58.000 0.086 0.000 1.383 411 F CB 0.000 39.073 39.000 0.122 0.000 1.145 411 F HN 0.000 nan 8.300 nan 0.000 0.574