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 2c7d_1_I DATA FIRST_RESID 3 DATA SEQUENCE AKDVKFGNDA RVKMLRGVNV LADAVKVTLG PKGRNVVLDK SFGAPTITKD DATA SEQUENCE GVSVAREIEL EDKFENMGAQ MVKEVASKAN DAAGDGTTTA TVLAQAIITE DATA SEQUENCE GLKAVAAGMN PMDLKRGIDK AVTAAVEELK ALSVPCSDSK AIAQVGTISA DATA SEQUENCE NSDETVGKLI AEAMDKVGKE GVITVEDGTG LQDELDVVEG MQFDRGYLSP DATA SEQUENCE YFINKPETGA VELESPFILL ADKKISNIRE MLPVLEAVAK AGKPLLIIAE DATA SEQUENCE DVEGEALATL VVNTMRGIVK VAAVKAPGFG DRRKAMLQDI ATLTGGTVIS DATA SEQUENCE EEIGMELEKA TLEDLGQAKR VVINKDTTTI IDGVGEEAAI QGRVAQIRQQ DATA SEQUENCE IEEATSDYDR EKLQERVAKL AGGVAVIKVG AATEVEMKEK KARVEDALHA DATA SEQUENCE TRAAVEEGVV AGGGVALIRV ASKLADLRGQ NEDQNVGIKV ALRAMEAPLR DATA SEQUENCE QIVLNCGEEP SVVANTVKGG DGNYGYNAAT EEYGNMIDMG ILDPTKVTRS DATA SEQUENCE ALQYAASVAG LMITTECMVT DLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.588 177.584 0.007 0.000 1.274 3 A CA 0.000 52.043 52.037 0.010 0.000 0.836 3 A CB 0.000 19.006 19.000 0.010 0.000 0.831 4 K N 1.275 121.684 120.400 0.015 0.000 2.546 4 K HA 0.477 4.797 4.320 0.001 0.000 0.264 4 K C -1.784 174.843 176.600 0.046 0.000 0.937 4 K CA -0.606 55.689 56.287 0.014 0.000 0.833 4 K CB 2.493 34.994 32.500 0.002 0.000 1.378 4 K HN 0.840 nan 8.250 nan 0.000 0.432 5 D N 1.065 121.510 120.400 0.074 0.000 2.253 5 D HA 0.547 5.188 4.640 0.001 0.000 0.249 5 D C -0.980 175.441 176.300 0.203 0.000 1.049 5 D CA -0.398 53.702 54.000 0.167 0.000 0.929 5 D CB 1.370 42.342 40.800 0.287 0.000 1.176 5 D HN 0.264 nan 8.370 nan 0.000 0.437 6 V N -0.823 119.221 119.914 0.218 0.000 2.777 6 V HA 0.668 4.788 4.120 0.001 0.000 0.306 6 V C -1.201 174.956 176.094 0.105 0.000 1.112 6 V CA -0.858 61.527 62.300 0.141 0.000 0.917 6 V CB 1.743 33.603 31.823 0.062 0.000 1.018 6 V HN 0.496 nan 8.190 nan 0.000 0.426 7 K N 4.267 124.690 120.400 0.039 0.000 2.553 7 K HA 0.630 4.950 4.320 0.001 0.000 0.250 7 K C -1.662 174.878 176.600 -0.101 0.000 0.953 7 K CA -0.350 55.916 56.287 -0.034 0.000 0.800 7 K CB 2.544 34.894 32.500 -0.250 0.000 1.243 7 K HN 0.616 nan 8.250 nan 0.000 0.435 8 F N 0.847 120.801 119.950 0.006 0.000 2.380 8 F HA 0.475 5.002 4.527 -0.000 0.000 0.321 8 F C 1.601 177.397 175.800 -0.006 0.000 1.103 8 F CA 1.057 59.063 58.000 0.011 0.000 1.067 8 F CB 1.177 40.181 39.000 0.008 0.000 1.265 8 F HN 0.853 nan 8.300 nan 0.000 0.517 9 G N 1.727 110.652 108.800 0.208 0.000 2.531 9 G HA2 -0.462 3.499 3.960 0.001 0.000 0.274 9 G HA3 -0.462 3.499 3.960 0.001 0.000 0.274 9 G C 0.835 175.773 174.900 0.063 0.000 1.159 9 G CA 0.713 45.890 45.100 0.127 0.000 0.969 9 G HN 0.828 nan 8.290 nan 0.000 0.554 10 N N 0.661 119.386 118.700 0.041 0.000 2.006 10 N HA -0.067 4.673 4.740 0.001 0.000 0.196 10 N C 1.823 177.333 175.510 0.000 0.000 1.057 10 N CA 2.811 55.871 53.050 0.018 0.000 0.853 10 N CB -0.473 38.020 38.487 0.010 0.000 1.051 10 N HN 0.622 nan 8.380 nan 0.000 0.423 11 D N -0.676 119.712 120.400 -0.019 0.000 2.264 11 D HA 0.030 4.671 4.640 0.001 0.000 0.208 11 D C 1.780 178.028 176.300 -0.086 0.000 0.966 11 D CA 0.996 54.963 54.000 -0.055 0.000 0.864 11 D CB -0.146 40.607 40.800 -0.077 0.000 0.933 11 D HN 0.478 nan 8.370 nan 0.000 0.499 12 A N 0.972 123.750 122.820 -0.069 0.000 1.845 12 A HA -0.191 4.130 4.320 0.001 0.000 0.215 12 A C 2.100 179.697 177.584 0.020 0.000 1.195 12 A CA 1.210 53.224 52.037 -0.039 0.000 0.616 12 A CB -0.416 18.583 19.000 -0.001 0.000 0.832 12 A HN 0.069 nan 8.150 nan 0.000 0.443 13 R N -0.723 119.790 120.500 0.023 0.000 2.105 13 R HA -0.095 4.245 4.340 0.001 0.000 0.239 13 R C 2.040 178.353 176.300 0.022 0.000 1.135 13 R CA 1.427 57.544 56.100 0.029 0.000 0.967 13 R CB -0.573 29.744 30.300 0.028 0.000 0.861 13 R HN 0.403 nan 8.270 nan 0.000 0.442 14 V N 1.467 121.387 119.914 0.009 0.000 2.343 14 V HA -0.257 3.863 4.120 0.001 0.000 0.247 14 V C 2.288 178.390 176.094 0.013 0.000 1.051 14 V CA 1.647 63.951 62.300 0.006 0.000 1.036 14 V CB -0.345 31.474 31.823 -0.007 0.000 0.654 14 V HN 0.242 nan 8.190 nan 0.000 0.451 15 K N -0.602 119.805 120.400 0.012 0.000 2.057 15 K HA -0.109 4.211 4.320 0.001 0.000 0.206 15 K C 2.119 178.765 176.600 0.076 0.000 1.050 15 K CA 1.607 57.921 56.287 0.046 0.000 0.935 15 K CB -0.466 32.064 32.500 0.050 0.000 0.715 15 K HN 0.452 nan 8.250 nan 0.000 0.439 16 M N 0.703 120.350 119.600 0.078 0.000 2.065 16 M HA -0.222 4.258 4.480 0.001 0.000 0.259 16 M C 2.153 178.478 176.300 0.042 0.000 1.069 16 M CA 1.447 56.785 55.300 0.065 0.000 1.110 16 M CB -0.155 32.480 32.600 0.058 0.000 1.328 16 M HN 0.064 nan 8.290 nan 0.000 0.405 17 L N 0.589 121.832 121.223 0.033 0.000 1.994 17 L HA -0.206 4.134 4.340 0.001 0.000 0.208 17 L C 2.336 179.220 176.870 0.024 0.000 1.071 17 L CA 1.966 56.821 54.840 0.025 0.000 0.745 17 L CB -0.836 41.235 42.059 0.021 0.000 0.892 17 L HN 0.271 nan 8.230 nan 0.000 0.431 18 R N -0.613 119.901 120.500 0.024 0.000 2.134 18 R HA -0.211 4.129 4.340 0.001 0.000 0.248 18 R C 2.170 178.485 176.300 0.025 0.000 1.143 18 R CA 1.571 57.684 56.100 0.023 0.000 0.957 18 R CB -1.165 29.149 30.300 0.024 0.000 0.867 18 R HN 0.638 nan 8.270 nan 0.000 0.441 19 G N -0.035 108.784 108.800 0.032 0.000 2.418 19 G HA2 -0.223 3.737 3.960 0.001 0.000 0.217 19 G HA3 -0.223 3.737 3.960 0.001 0.000 0.217 19 G C 1.449 176.361 174.900 0.020 0.000 1.158 19 G CA 0.870 45.988 45.100 0.029 0.000 0.771 19 G HN 0.169 nan 8.290 nan 0.000 0.545 20 V N 1.490 121.416 119.914 0.020 0.000 2.295 20 V HA -0.245 3.875 4.120 0.001 0.000 0.246 20 V C 2.554 178.657 176.094 0.015 0.000 1.049 20 V CA 2.250 64.559 62.300 0.016 0.000 1.024 20 V CB -0.824 31.010 31.823 0.018 0.000 0.648 20 V HN 0.481 nan 8.190 nan 0.000 0.447 21 N N 0.006 118.715 118.700 0.016 0.000 2.084 21 N HA -0.162 4.579 4.740 0.001 0.000 0.190 21 N C 1.767 177.284 175.510 0.012 0.000 1.030 21 N CA 1.367 54.425 53.050 0.014 0.000 0.849 21 N CB -0.330 38.165 38.487 0.014 0.000 1.012 21 N HN 0.277 nan 8.380 nan 0.000 0.423 22 V N 1.838 121.760 119.914 0.012 0.000 2.380 22 V HA -0.194 3.926 4.120 0.001 0.000 0.251 22 V C 2.183 178.282 176.094 0.007 0.000 1.063 22 V CA 1.261 63.566 62.300 0.010 0.000 1.055 22 V CB -0.512 31.317 31.823 0.011 0.000 0.657 22 V HN 0.399 nan 8.190 nan 0.000 0.455 23 L N 0.322 121.549 121.223 0.007 0.000 2.007 23 L HA -0.035 4.306 4.340 0.001 0.000 0.205 23 L C 2.525 179.399 176.870 0.007 0.000 1.073 23 L CA 2.667 57.511 54.840 0.005 0.000 0.744 23 L CB -1.336 40.726 42.059 0.004 0.000 0.898 23 L HN 0.320 nan 8.230 nan 0.000 0.435 24 A N -0.435 122.390 122.820 0.009 0.000 1.930 24 A HA -0.192 4.128 4.320 0.001 0.000 0.217 24 A C 1.811 179.401 177.584 0.011 0.000 1.175 24 A CA 1.681 53.725 52.037 0.011 0.000 0.627 24 A CB -0.522 18.487 19.000 0.014 0.000 0.815 24 A HN 0.543 nan 8.150 nan 0.000 0.443 25 D N -0.154 120.252 120.400 0.010 0.000 2.277 25 D HA 0.117 4.757 4.640 0.001 0.000 0.208 25 D C 2.078 178.382 176.300 0.008 0.000 0.962 25 D CA 1.086 55.091 54.000 0.009 0.000 0.865 25 D CB -0.174 40.631 40.800 0.009 0.000 0.939 25 D HN 0.432 nan 8.370 nan 0.000 0.510 26 A N 0.653 123.477 122.820 0.006 0.000 1.840 26 A HA -0.090 4.230 4.320 0.001 0.000 0.214 26 A C 2.439 180.026 177.584 0.005 0.000 1.198 26 A CA 0.826 52.866 52.037 0.005 0.000 0.608 26 A CB -0.819 18.183 19.000 0.003 0.000 0.839 26 A HN 0.100 nan 8.150 nan 0.000 0.443 27 V N 0.452 120.370 119.914 0.006 0.000 2.453 27 V HA -0.308 3.813 4.120 0.001 0.000 0.252 27 V C 2.412 178.511 176.094 0.009 0.000 1.068 27 V CA 2.368 64.673 62.300 0.007 0.000 1.070 27 V CB -0.767 31.061 31.823 0.008 0.000 0.664 27 V HN 0.550 nan 8.190 nan 0.000 0.461 28 K N 0.091 120.497 120.400 0.010 0.000 2.160 28 K HA -0.178 4.142 4.320 0.001 0.000 0.206 28 K C 1.762 178.368 176.600 0.010 0.000 1.047 28 K CA 1.723 58.017 56.287 0.011 0.000 0.930 28 K CB -0.361 32.146 32.500 0.011 0.000 0.720 28 K HN 0.618 nan 8.250 nan 0.000 0.450 29 V N -0.941 118.978 119.914 0.008 0.000 3.541 29 V HA -0.032 4.088 4.120 0.001 0.000 0.272 29 V C 1.257 177.355 176.094 0.006 0.000 1.215 29 V CA 1.599 63.904 62.300 0.007 0.000 1.176 29 V CB -0.777 31.050 31.823 0.005 0.000 0.854 29 V HN 0.338 nan 8.190 nan 0.000 0.496 30 T N -3.042 111.517 114.554 0.007 0.000 3.040 30 T HA 0.366 4.717 4.350 0.001 0.000 0.266 30 T C 0.240 174.945 174.700 0.007 0.000 1.005 30 T CA -0.195 61.909 62.100 0.006 0.000 0.906 30 T CB 0.203 69.075 68.868 0.006 0.000 1.082 30 T HN 0.329 nan 8.240 nan 0.000 0.531 31 L N 2.863 124.091 121.223 0.010 0.000 2.367 31 L HA 0.619 4.959 4.340 0.001 0.000 0.275 31 L C 0.851 177.726 176.870 0.009 0.000 1.129 31 L CA 1.648 56.495 54.840 0.011 0.000 0.839 31 L CB -0.173 41.895 42.059 0.014 0.000 1.133 31 L HN 0.688 nan 8.230 nan 0.000 0.453 32 G N 4.758 113.562 108.800 0.007 0.000 2.660 32 G HA2 -0.185 3.775 3.960 0.001 0.000 0.215 32 G HA3 -0.185 3.775 3.960 0.001 0.000 0.215 32 G C -2.239 172.659 174.900 -0.003 0.000 1.345 32 G CA -0.217 44.885 45.100 0.003 0.000 0.877 32 G HN 0.558 nan 8.290 nan 0.000 0.549 33 P HA 0.063 nan 4.420 nan 0.000 0.217 33 P C 1.191 178.483 177.300 -0.013 0.000 1.154 33 P CA 1.370 64.460 63.100 -0.016 0.000 0.841 33 P CB 0.024 31.707 31.700 -0.028 0.000 0.790 34 K N 0.376 120.770 120.400 -0.009 0.000 2.569 34 K HA 0.180 4.500 4.320 0.001 0.000 0.193 34 K C 1.164 177.764 176.600 0.000 0.000 1.026 34 K CA -0.197 56.087 56.287 -0.004 0.000 1.093 34 K CB -0.370 32.130 32.500 -0.001 0.000 0.849 34 K HN 0.119 nan 8.250 nan 0.000 0.509 35 G N 1.313 110.113 108.800 0.001 0.000 2.442 35 G HA2 0.105 4.065 3.960 0.001 0.000 0.249 35 G HA3 0.105 4.065 3.960 0.001 0.000 0.249 35 G C -0.255 174.646 174.900 0.002 0.000 1.263 35 G CA -0.487 44.615 45.100 0.003 0.000 0.846 35 G HN 0.207 nan 8.290 nan 0.000 0.555 36 R N 1.070 121.571 120.500 0.003 0.000 2.606 36 R HA 0.350 4.691 4.340 0.001 0.000 0.249 36 R C -0.350 175.951 176.300 0.002 0.000 1.127 36 R CA -0.902 55.199 56.100 0.002 0.000 1.133 36 R CB 0.774 31.075 30.300 0.002 0.000 1.243 36 R HN 0.462 nan 8.270 nan 0.000 0.558 37 N N -0.085 118.616 118.700 0.001 0.000 2.417 37 N HA 0.360 5.100 4.740 0.001 0.000 0.300 37 N C -1.149 174.361 175.510 0.000 0.000 1.102 37 N CA -0.484 52.566 53.050 0.000 0.000 0.886 37 N CB 2.314 40.801 38.487 -0.000 0.000 1.203 37 N HN 0.117 nan 8.380 nan 0.000 0.496 38 V N 1.463 121.377 119.914 -0.000 0.000 2.540 38 V HA 0.370 4.490 4.120 0.001 0.000 0.302 38 V C 0.001 176.093 176.094 -0.003 0.000 1.035 38 V CA -0.831 61.468 62.300 -0.001 0.000 0.873 38 V CB 2.076 33.898 31.823 -0.001 0.000 0.992 38 V HN 0.311 nan 8.190 nan 0.000 0.428 39 V N 6.229 126.140 119.914 -0.004 0.000 2.481 39 V HA 0.558 4.679 4.120 0.001 0.000 0.286 39 V C -0.251 175.838 176.094 -0.009 0.000 1.042 39 V CA -0.420 61.876 62.300 -0.006 0.000 0.928 39 V CB 1.456 33.275 31.823 -0.006 0.000 0.986 39 V HN 0.633 nan 8.190 nan 0.000 0.462 40 L N 2.963 124.179 121.223 -0.012 0.000 2.408 40 L HA 0.527 4.867 4.340 0.001 0.000 0.268 40 L C -0.667 176.189 176.870 -0.025 0.000 0.986 40 L CA -0.697 54.133 54.840 -0.017 0.000 0.820 40 L CB 2.261 44.311 42.059 -0.014 0.000 1.303 40 L HN 0.542 nan 8.230 nan 0.000 0.411 41 D N 2.362 122.741 120.400 -0.036 0.000 2.382 41 D HA 0.199 4.840 4.640 0.001 0.000 0.245 41 D C -0.450 175.808 176.300 -0.071 0.000 1.120 41 D CA 0.311 54.280 54.000 -0.052 0.000 0.890 41 D CB 0.853 41.617 40.800 -0.061 0.000 1.201 41 D HN 0.402 nan 8.370 nan 0.000 0.433 42 K N 1.546 121.897 120.400 -0.082 0.000 3.394 42 K HA 0.090 4.410 4.320 0.001 0.000 0.175 42 K C 0.330 176.844 176.600 -0.143 0.000 1.047 42 K CA -0.142 56.086 56.287 -0.099 0.000 0.814 42 K CB 0.522 33.008 32.500 -0.024 0.000 0.803 42 K HN 0.357 nan 8.250 nan 0.000 0.522 43 S N -0.240 115.315 115.700 -0.241 0.000 2.711 43 S HA -0.059 4.411 4.470 0.001 0.000 0.237 43 S C 1.127 175.603 174.600 -0.208 0.000 0.971 43 S CA 0.367 58.443 58.200 -0.208 0.000 0.964 43 S CB -0.613 62.467 63.200 -0.200 0.000 0.775 43 S HN 0.250 nan 8.310 nan 0.000 0.540 44 F N 2.097 122.045 119.950 -0.002 0.000 2.456 44 F HA 0.351 4.879 4.527 0.001 0.000 0.298 44 F C 1.742 177.541 175.800 -0.001 0.000 1.104 44 F CA -0.280 57.718 58.000 -0.002 0.000 1.435 44 F CB -0.807 38.191 39.000 -0.002 0.000 1.078 44 F HN 0.445 nan 8.300 nan 0.000 0.546 45 G N -1.255 107.624 108.800 0.132 0.000 3.195 45 G HA2 0.641 4.601 3.960 0.001 0.000 0.217 45 G HA3 0.641 4.601 3.960 0.001 0.000 0.217 45 G C -0.983 173.932 174.900 0.026 0.000 1.166 45 G CA -0.149 44.994 45.100 0.071 0.000 0.812 45 G HN 0.240 nan 8.290 nan 0.000 0.617 46 A N -0.011 122.820 122.820 0.018 0.000 2.287 46 A HA 0.756 5.076 4.320 0.001 0.000 0.273 46 A C -2.172 175.409 177.584 -0.005 0.000 1.091 46 A CA -0.866 51.172 52.037 0.003 0.000 0.817 46 A CB -0.212 18.791 19.000 0.005 0.000 1.069 46 A HN 0.388 nan 8.150 nan 0.000 0.492 47 P HA 0.262 nan 4.420 nan 0.000 0.270 47 P C -0.388 176.909 177.300 -0.006 0.000 1.221 47 P CA 0.425 63.515 63.100 -0.015 0.000 0.788 47 P CB 0.447 32.137 31.700 -0.017 0.000 0.904 48 T N 0.747 115.297 114.554 -0.006 0.000 2.932 48 T HA 0.533 4.884 4.350 0.001 0.000 0.318 48 T C -0.425 174.274 174.700 -0.001 0.000 1.265 48 T CA -0.329 61.771 62.100 -0.000 0.000 1.036 48 T CB 0.720 69.591 68.868 0.005 0.000 1.209 48 T HN 0.057 nan 8.240 nan 0.000 0.484 49 I N 1.480 122.050 120.570 0.000 0.000 2.577 49 I HA 0.769 4.940 4.170 0.001 0.000 0.305 49 I C 0.619 176.737 176.117 0.002 0.000 0.986 49 I CA -0.239 61.060 61.300 -0.000 0.000 1.189 49 I CB 1.918 39.918 38.000 -0.000 0.000 1.355 49 I HN 0.594 nan 8.210 nan 0.000 0.476 50 T N 2.158 116.713 114.554 0.001 0.000 2.792 50 T HA 0.368 4.718 4.350 0.001 0.000 0.303 50 T C -0.053 174.648 174.700 0.003 0.000 1.310 50 T CA -0.578 61.524 62.100 0.003 0.000 1.007 50 T CB 1.487 70.357 68.868 0.004 0.000 1.335 50 T HN 0.735 nan 8.240 nan 0.000 0.504 51 K N 0.314 120.716 120.400 0.004 0.000 2.412 51 K HA 0.220 4.540 4.320 0.001 0.000 0.202 51 K C -0.268 176.336 176.600 0.006 0.000 1.102 51 K CA -0.114 56.175 56.287 0.004 0.000 1.027 51 K CB 0.372 32.873 32.500 0.003 0.000 0.931 51 K HN 0.566 nan 8.250 nan 0.000 0.557 52 D N -0.413 119.991 120.400 0.007 0.000 2.312 52 D HA 0.090 4.730 4.640 0.001 0.000 0.252 52 D C 1.122 177.427 176.300 0.008 0.000 1.150 52 D CA 0.114 54.119 54.000 0.009 0.000 0.870 52 D CB 1.537 42.343 40.800 0.010 0.000 1.153 52 D HN 0.186 nan 8.370 nan 0.000 0.457 53 G N 2.577 111.383 108.800 0.010 0.000 2.450 53 G HA2 -0.224 3.736 3.960 0.001 0.000 0.220 53 G HA3 -0.224 3.736 3.960 0.001 0.000 0.220 53 G C 1.380 176.284 174.900 0.006 0.000 1.130 53 G CA 0.696 45.801 45.100 0.009 0.000 0.760 53 G HN 0.476 nan 8.290 nan 0.000 0.557 54 V N 0.461 120.378 119.914 0.006 0.000 2.591 54 V HA -0.046 4.075 4.120 0.001 0.000 0.249 54 V C 2.861 178.955 176.094 0.000 0.000 1.053 54 V CA 2.238 64.538 62.300 0.001 0.000 1.068 54 V CB -0.039 31.783 31.823 -0.002 0.000 0.689 54 V HN 0.341 nan 8.190 nan 0.000 0.462 55 S N -0.478 115.224 115.700 0.003 0.000 2.447 55 S HA -0.101 4.369 4.470 0.001 0.000 0.233 55 S C 1.768 176.368 174.600 0.001 0.000 1.006 55 S CA 1.317 59.519 58.200 0.003 0.000 0.957 55 S CB 0.197 63.400 63.200 0.006 0.000 0.773 55 S HN 0.468 nan 8.310 nan 0.000 0.507 56 V N 1.895 121.810 119.914 0.001 0.000 2.255 56 V HA -0.108 4.012 4.120 0.001 0.000 0.243 56 V C 2.703 178.795 176.094 -0.004 0.000 1.038 56 V CA 1.667 63.966 62.300 -0.002 0.000 1.008 56 V CB -1.250 30.573 31.823 0.000 0.000 0.645 56 V HN 0.514 nan 8.190 nan 0.000 0.449 57 A N -0.017 122.801 122.820 -0.003 0.000 1.908 57 A HA -0.267 4.054 4.320 0.001 0.000 0.218 57 A C 2.322 179.901 177.584 -0.008 0.000 1.181 57 A CA 2.074 54.108 52.037 -0.005 0.000 0.627 57 A CB -0.616 18.381 19.000 -0.004 0.000 0.818 57 A HN 0.497 nan 8.150 nan 0.000 0.445 58 R N -0.272 120.223 120.500 -0.008 0.000 2.139 58 R HA -0.139 4.201 4.340 0.001 0.000 0.243 58 R C 1.439 177.734 176.300 -0.008 0.000 1.145 58 R CA 1.471 57.566 56.100 -0.009 0.000 0.976 58 R CB -0.166 30.130 30.300 -0.006 0.000 0.866 58 R HN 0.556 nan 8.270 nan 0.000 0.449 59 E N 0.109 120.304 120.200 -0.009 0.000 2.478 59 E HA 0.018 4.368 4.350 0.001 0.000 0.194 59 E C 0.347 176.936 176.600 -0.018 0.000 1.045 59 E CA 0.242 56.634 56.400 -0.014 0.000 0.868 59 E CB 0.263 29.953 29.700 -0.017 0.000 0.885 59 E HN 0.194 nan 8.360 nan 0.000 0.505 60 I N 1.933 122.495 120.570 -0.014 0.000 2.474 60 I HA 0.166 4.337 4.170 0.001 0.000 0.287 60 I C 0.540 176.648 176.117 -0.015 0.000 1.048 60 I CA -0.033 61.259 61.300 -0.014 0.000 1.383 60 I CB 0.532 38.526 38.000 -0.009 0.000 1.412 60 I HN -0.058 nan 8.210 nan 0.000 0.531 61 E N 6.855 127.045 120.200 -0.016 0.000 2.565 61 E HA 0.189 4.539 4.350 0.001 0.000 0.343 61 E C -1.647 174.945 176.600 -0.013 0.000 0.968 61 E CA -0.447 55.943 56.400 -0.016 0.000 0.773 61 E CB 1.124 30.812 29.700 -0.020 0.000 1.513 61 E HN 0.253 nan 8.360 nan 0.000 0.384 62 L N 2.207 123.425 121.223 -0.008 0.000 2.490 62 L HA 0.331 4.671 4.340 0.001 0.000 0.245 62 L C 1.791 178.661 176.870 0.000 0.000 1.185 62 L CA 0.468 55.308 54.840 -0.001 0.000 0.813 62 L CB 0.326 42.390 42.059 0.007 0.000 1.233 62 L HN 0.712 nan 8.230 nan 0.000 0.489 63 E N -0.640 119.565 120.200 0.008 0.000 2.166 63 E HA -0.074 4.276 4.350 0.001 0.000 0.192 63 E C 0.197 176.813 176.600 0.027 0.000 0.967 63 E CA -0.085 56.322 56.400 0.012 0.000 0.840 63 E CB 0.385 30.092 29.700 0.012 0.000 0.795 63 E HN 0.598 nan 8.360 nan 0.000 0.470 64 D N 0.988 121.414 120.400 0.043 0.000 2.382 64 D HA -0.051 4.590 4.640 0.001 0.000 0.259 64 D C 0.654 177.000 176.300 0.077 0.000 1.224 64 D CA 0.073 54.123 54.000 0.083 0.000 0.894 64 D CB 0.894 41.749 40.800 0.092 0.000 1.127 64 D HN 0.001 nan 8.370 nan 0.000 0.487 65 K N 3.444 123.886 120.400 0.070 0.000 2.097 65 K HA -0.125 4.195 4.320 0.001 0.000 0.206 65 K C 1.808 178.325 176.600 -0.138 0.000 1.049 65 K CA 0.977 57.218 56.287 -0.078 0.000 0.933 65 K CB -0.179 32.204 32.500 -0.194 0.000 0.717 65 K HN 0.519 nan 8.250 nan 0.000 0.442 66 F N 1.507 121.448 119.950 -0.015 0.000 2.234 66 F HA -0.033 4.494 4.527 0.001 0.000 0.296 66 F C 2.264 178.056 175.800 -0.014 0.000 1.089 66 F CA 0.801 58.791 58.000 -0.017 0.000 1.343 66 F CB -0.136 38.853 39.000 -0.017 0.000 1.040 66 F HN 0.078 nan 8.300 nan 0.000 0.498 67 E N 0.081 120.381 120.200 0.166 0.000 2.106 67 E HA -0.216 4.135 4.350 0.001 0.000 0.192 67 E C 1.680 178.303 176.600 0.039 0.000 0.984 67 E CA 1.136 57.586 56.400 0.083 0.000 0.806 67 E CB -0.307 29.434 29.700 0.067 0.000 0.750 67 E HN 0.316 nan 8.360 nan 0.000 0.458 68 N N 0.570 119.281 118.700 0.018 0.000 2.166 68 N HA -0.131 4.609 4.740 0.001 0.000 0.186 68 N C 1.726 177.219 175.510 -0.028 0.000 1.019 68 N CA 1.064 54.106 53.050 -0.012 0.000 0.856 68 N CB 0.051 38.522 38.487 -0.028 0.000 0.993 68 N HN 0.076 nan 8.380 nan 0.000 0.426 69 M N -0.872 118.701 119.600 -0.045 0.000 2.108 69 M HA -0.072 4.409 4.480 0.001 0.000 0.261 69 M C 2.164 178.454 176.300 -0.016 0.000 1.066 69 M CA 1.682 56.952 55.300 -0.050 0.000 1.107 69 M CB -0.538 32.015 32.600 -0.077 0.000 1.356 69 M HN 0.305 nan 8.290 nan 0.000 0.406 70 G N -0.143 108.662 108.800 0.008 0.000 2.421 70 G HA2 -0.132 3.828 3.960 0.001 0.000 0.216 70 G HA3 -0.132 3.828 3.960 0.001 0.000 0.216 70 G C 1.628 176.531 174.900 0.005 0.000 1.171 70 G CA 0.938 46.047 45.100 0.014 0.000 0.775 70 G HN 0.540 nan 8.290 nan 0.000 0.543 71 A N 0.010 122.832 122.820 0.003 0.000 1.940 71 A HA -0.098 4.222 4.320 0.001 0.000 0.219 71 A C 2.370 179.948 177.584 -0.009 0.000 1.176 71 A CA 1.946 53.982 52.037 -0.002 0.000 0.631 71 A CB -0.375 18.623 19.000 -0.002 0.000 0.814 71 A HN 0.323 nan 8.150 nan 0.000 0.446 72 Q N -0.801 118.989 119.800 -0.016 0.000 2.170 72 Q HA -0.117 4.224 4.340 0.001 0.000 0.203 72 Q C 2.126 178.113 176.000 -0.021 0.000 0.976 72 Q CA 1.504 57.294 55.803 -0.022 0.000 0.858 72 Q CB -0.377 28.342 28.738 -0.031 0.000 0.907 72 Q HN 0.797 nan 8.270 nan 0.000 0.433 73 M N -0.185 119.405 119.600 -0.015 0.000 2.123 73 M HA -0.117 4.363 4.480 0.001 0.000 0.263 73 M C 2.223 178.517 176.300 -0.009 0.000 1.069 73 M CA 1.185 56.478 55.300 -0.012 0.000 1.133 73 M CB -0.227 32.370 32.600 -0.004 0.000 1.356 73 M HN 0.050 nan 8.290 nan 0.000 0.415 74 V N -1.417 118.495 119.914 -0.003 0.000 2.809 74 V HA -0.148 3.973 4.120 0.001 0.000 0.256 74 V C 2.119 178.209 176.094 -0.007 0.000 1.080 74 V CA 1.463 63.763 62.300 0.000 0.000 1.102 74 V CB -1.201 30.626 31.823 0.008 0.000 0.705 74 V HN 0.446 nan 8.190 nan 0.000 0.475 75 K N 0.929 121.322 120.400 -0.013 0.000 2.063 75 K HA -0.288 4.032 4.320 0.001 0.000 0.208 75 K C 2.242 178.823 176.600 -0.032 0.000 1.048 75 K CA 2.158 58.434 56.287 -0.019 0.000 0.928 75 K CB -0.097 32.391 32.500 -0.019 0.000 0.713 75 K HN 0.535 nan 8.250 nan 0.000 0.442 76 E N 0.450 120.626 120.200 -0.039 0.000 2.072 76 E HA -0.130 4.220 4.350 0.001 0.000 0.191 76 E C 1.806 178.355 176.600 -0.085 0.000 0.985 76 E CA 1.051 57.413 56.400 -0.064 0.000 0.801 76 E CB -0.330 29.335 29.700 -0.059 0.000 0.750 76 E HN 0.128 nan 8.360 nan 0.000 0.452 77 V N 0.276 120.160 119.914 -0.051 0.000 2.407 77 V HA -0.226 3.894 4.120 0.001 0.000 0.248 77 V C 2.155 178.232 176.094 -0.028 0.000 1.055 77 V CA 2.005 64.285 62.300 -0.035 0.000 1.049 77 V CB -0.591 31.247 31.823 0.025 0.000 0.662 77 V HN 0.475 nan 8.190 nan 0.000 0.455 78 A N -1.664 121.144 122.820 -0.019 0.000 1.969 78 A HA -0.168 4.153 4.320 0.001 0.000 0.218 78 A C 2.500 180.065 177.584 -0.033 0.000 1.169 78 A CA 1.993 54.024 52.037 -0.010 0.000 0.635 78 A CB -0.654 18.344 19.000 -0.004 0.000 0.810 78 A HN 0.516 nan 8.150 nan 0.000 0.445 79 S N -0.587 115.075 115.700 -0.063 0.000 2.345 79 S HA -0.123 4.347 4.470 0.001 0.000 0.220 79 S C 2.070 176.592 174.600 -0.131 0.000 1.031 79 S CA 1.332 59.485 58.200 -0.079 0.000 0.996 79 S CB -0.221 62.932 63.200 -0.079 0.000 0.882 79 S HN 0.444 nan 8.310 nan 0.000 0.445 80 K N 1.520 121.767 120.400 -0.256 0.000 2.211 80 K HA 0.024 4.344 4.320 0.001 0.000 0.204 80 K C 2.128 178.550 176.600 -0.296 0.000 1.047 80 K CA 1.066 57.053 56.287 -0.501 0.000 0.935 80 K CB -0.835 30.991 32.500 -1.123 0.000 0.728 80 K HN 0.436 nan 8.250 nan 0.000 0.452 81 A N 1.924 124.707 122.820 -0.062 0.000 1.845 81 A HA -0.204 4.117 4.320 0.001 0.000 0.215 81 A C 2.109 179.729 177.584 0.061 0.000 1.195 81 A CA 1.781 53.883 52.037 0.109 0.000 0.616 81 A CB -0.777 18.287 19.000 0.107 0.000 0.832 81 A HN 0.453 nan 8.150 nan 0.000 0.443 82 N N -0.530 118.182 118.700 0.019 0.000 2.289 82 N HA -0.170 4.570 4.740 0.001 0.000 0.184 82 N C 0.575 176.095 175.510 0.017 0.000 1.016 82 N CA 1.470 54.532 53.050 0.020 0.000 0.872 82 N CB -0.157 38.334 38.487 0.008 0.000 0.973 82 N HN 0.397 nan 8.380 nan 0.000 0.433 83 D N -0.278 120.117 120.400 -0.007 0.000 2.289 83 D HA 0.044 4.684 4.640 0.001 0.000 0.207 83 D C 1.094 177.404 176.300 0.017 0.000 0.966 83 D CA 0.539 54.532 54.000 -0.012 0.000 0.868 83 D CB 0.259 41.027 40.800 -0.053 0.000 0.943 83 D HN 0.377 nan 8.370 nan 0.000 0.514 84 A N -0.633 122.219 122.820 0.054 0.000 2.390 84 A HA 0.637 4.958 4.320 0.001 0.000 0.225 84 A C 1.461 179.112 177.584 0.112 0.000 1.232 84 A CA 0.657 52.756 52.037 0.104 0.000 0.964 84 A CB 0.840 19.956 19.000 0.193 0.000 1.064 84 A HN 0.123 nan 8.150 nan 0.000 0.525 85 A N -2.699 120.183 122.820 0.103 0.000 2.334 85 A HA 0.506 4.827 4.320 0.001 0.000 0.184 85 A C 1.667 179.291 177.584 0.067 0.000 1.594 85 A CA 1.279 53.367 52.037 0.085 0.000 1.162 85 A CB -0.200 18.859 19.000 0.099 0.000 1.426 85 A HN 1.916 nan 8.150 nan 0.000 0.494 86 G N 0.287 109.125 108.800 0.063 0.000 4.677 86 G HA2 -0.318 3.642 3.960 0.001 0.000 0.215 86 G HA3 -0.318 3.642 3.960 0.001 0.000 0.215 86 G C 0.370 175.295 174.900 0.043 0.000 1.506 86 G CA 0.729 45.861 45.100 0.053 0.000 1.016 86 G HN 0.716 nan 8.290 nan 0.000 0.653 87 D N -0.355 120.068 120.400 0.039 0.000 2.430 87 D HA 0.473 5.113 4.640 0.001 0.000 0.285 87 D C 1.598 177.924 176.300 0.042 0.000 1.210 87 D CA 1.525 55.545 54.000 0.033 0.000 1.080 87 D CB 0.144 40.959 40.800 0.025 0.000 1.134 87 D HN 1.675 nan 8.370 nan 0.000 0.562 88 G N -1.346 107.476 108.800 0.037 0.000 2.168 88 G HA2 -0.339 3.621 3.960 0.001 0.000 0.263 88 G HA3 -0.339 3.621 3.960 0.001 0.000 0.263 88 G C 1.057 175.987 174.900 0.050 0.000 0.977 88 G CA 1.524 46.651 45.100 0.044 0.000 0.659 88 G HN 0.601 nan 8.290 nan 0.000 0.533 89 T N -2.604 111.974 114.554 0.040 0.000 2.701 89 T HA -0.108 4.242 4.350 0.001 0.000 0.263 89 T C 2.230 176.948 174.700 0.030 0.000 1.040 89 T CA 2.486 64.606 62.100 0.034 0.000 1.147 89 T CB -0.799 68.083 68.868 0.023 0.000 0.865 89 T HN 0.320 nan 8.240 nan 0.000 0.426 90 T N 2.011 116.580 114.554 0.025 0.000 2.746 90 T HA -0.100 4.250 4.350 0.001 0.000 0.267 90 T C 2.257 176.973 174.700 0.027 0.000 1.039 90 T CA 1.874 63.987 62.100 0.022 0.000 1.142 90 T CB -1.028 67.850 68.868 0.018 0.000 0.866 90 T HN 0.565 nan 8.240 nan 0.000 0.444 91 T N 2.209 116.781 114.554 0.030 0.000 2.684 91 T HA -0.087 4.263 4.350 0.001 0.000 0.267 91 T C 2.432 177.156 174.700 0.039 0.000 1.036 91 T CA 1.269 63.388 62.100 0.032 0.000 1.148 91 T CB -0.656 68.231 68.868 0.032 0.000 0.863 91 T HN 0.452 nan 8.240 nan 0.000 0.436 92 A N 1.449 124.301 122.820 0.053 0.000 1.902 92 A HA -0.142 4.179 4.320 0.001 0.000 0.217 92 A C 2.577 180.193 177.584 0.054 0.000 1.181 92 A CA 2.142 54.221 52.037 0.070 0.000 0.623 92 A CB -1.294 17.770 19.000 0.107 0.000 0.818 92 A HN 0.506 nan 8.150 nan 0.000 0.443 93 T N -0.488 114.090 114.554 0.041 0.000 2.777 93 T HA -0.103 4.248 4.350 0.001 0.000 0.266 93 T C 1.869 176.585 174.700 0.027 0.000 1.040 93 T CA 1.476 63.594 62.100 0.030 0.000 1.141 93 T CB -0.450 68.431 68.868 0.022 0.000 0.868 93 T HN 0.140 nan 8.240 nan 0.000 0.444 94 V N 1.477 121.407 119.914 0.026 0.000 2.343 94 V HA -0.116 4.004 4.120 0.001 0.000 0.247 94 V C 2.484 178.593 176.094 0.025 0.000 1.051 94 V CA 1.495 63.809 62.300 0.023 0.000 1.036 94 V CB -0.627 31.209 31.823 0.022 0.000 0.654 94 V HN 0.427 nan 8.190 nan 0.000 0.451 95 L N -0.275 120.965 121.223 0.028 0.000 2.093 95 L HA -0.123 4.217 4.340 0.001 0.000 0.208 95 L C 2.698 179.585 176.870 0.029 0.000 1.085 95 L CA 1.413 56.269 54.840 0.028 0.000 0.755 95 L CB -0.763 41.313 42.059 0.029 0.000 0.904 95 L HN 0.357 nan 8.230 nan 0.000 0.435 96 A N -0.197 122.643 122.820 0.034 0.000 1.858 96 A HA -0.303 4.017 4.320 0.001 0.000 0.216 96 A C 2.196 179.796 177.584 0.026 0.000 1.190 96 A CA 1.925 53.982 52.037 0.034 0.000 0.617 96 A CB -0.663 18.360 19.000 0.038 0.000 0.827 96 A HN 0.399 nan 8.150 nan 0.000 0.443 97 Q N 0.002 119.817 119.800 0.024 0.000 2.096 97 Q HA -0.178 4.162 4.340 0.001 0.000 0.208 97 Q C 2.010 178.021 176.000 0.019 0.000 0.993 97 Q CA 2.800 58.615 55.803 0.020 0.000 0.862 97 Q CB -0.633 28.116 28.738 0.018 0.000 0.915 97 Q HN 0.579 nan 8.270 nan 0.000 0.416 98 A N -0.150 122.681 122.820 0.019 0.000 1.873 98 A HA -0.086 4.234 4.320 0.001 0.000 0.215 98 A C 2.154 179.749 177.584 0.017 0.000 1.186 98 A CA 1.531 53.579 52.037 0.017 0.000 0.616 98 A CB -0.669 18.342 19.000 0.017 0.000 0.823 98 A HN 0.480 nan 8.150 nan 0.000 0.442 99 I N -0.407 120.175 120.570 0.019 0.000 2.439 99 I HA -0.185 3.985 4.170 0.001 0.000 0.251 99 I C 2.185 178.313 176.117 0.019 0.000 1.139 99 I CA 0.824 62.135 61.300 0.018 0.000 1.438 99 I CB -0.291 37.720 38.000 0.020 0.000 1.085 99 I HN 0.283 nan 8.210 nan 0.000 0.427 100 I N 0.496 121.078 120.570 0.020 0.000 2.179 100 I HA -0.286 3.884 4.170 0.001 0.000 0.242 100 I C 2.575 178.703 176.117 0.018 0.000 1.088 100 I CA 1.650 62.962 61.300 0.020 0.000 1.357 100 I CB -0.575 37.438 38.000 0.021 0.000 1.051 100 I HN 0.209 nan 8.210 nan 0.000 0.409 101 T N 0.102 114.666 114.554 0.017 0.000 2.708 101 T HA -0.155 4.195 4.350 0.001 0.000 0.266 101 T C 1.806 176.514 174.700 0.014 0.000 1.037 101 T CA 1.256 63.365 62.100 0.015 0.000 1.146 101 T CB -0.178 68.699 68.868 0.014 0.000 0.865 101 T HN 0.282 nan 8.240 nan 0.000 0.435 102 E N 0.592 120.800 120.200 0.014 0.000 2.208 102 E HA 0.024 4.375 4.350 0.001 0.000 0.193 102 E C 2.491 179.099 176.600 0.013 0.000 0.988 102 E CA 0.818 57.226 56.400 0.012 0.000 0.828 102 E CB -0.626 29.081 29.700 0.012 0.000 0.763 102 E HN 0.573 nan 8.360 nan 0.000 0.478 103 G N 1.062 109.871 108.800 0.014 0.000 2.394 103 G HA2 -0.155 3.805 3.960 0.001 0.000 0.215 103 G HA3 -0.155 3.805 3.960 0.001 0.000 0.215 103 G C 1.735 176.644 174.900 0.015 0.000 1.165 103 G CA 0.151 45.260 45.100 0.015 0.000 0.784 103 G HN 0.151 nan 8.290 nan 0.000 0.535 104 L N 0.228 121.461 121.223 0.016 0.000 2.083 104 L HA -0.053 4.287 4.340 0.001 0.000 0.209 104 L C 2.806 179.685 176.870 0.015 0.000 1.083 104 L CA 1.358 56.208 54.840 0.017 0.000 0.752 104 L CB -0.302 41.767 42.059 0.018 0.000 0.899 104 L HN 0.216 nan 8.230 nan 0.000 0.433 105 K N 0.475 120.883 120.400 0.013 0.000 2.063 105 K HA -0.233 4.087 4.320 0.001 0.000 0.208 105 K C 2.113 178.719 176.600 0.011 0.000 1.048 105 K CA 1.582 57.876 56.287 0.011 0.000 0.928 105 K CB -0.090 32.416 32.500 0.010 0.000 0.713 105 K HN 0.293 nan 8.250 nan 0.000 0.442 106 A N 0.483 123.310 122.820 0.011 0.000 1.930 106 A HA -0.083 4.237 4.320 0.001 0.000 0.217 106 A C 2.188 179.779 177.584 0.012 0.000 1.175 106 A CA 1.440 53.483 52.037 0.011 0.000 0.627 106 A CB -0.436 18.570 19.000 0.011 0.000 0.815 106 A HN 0.184 nan 8.150 nan 0.000 0.443 107 V N -0.292 119.630 119.914 0.014 0.000 2.515 107 V HA -0.183 3.937 4.120 0.001 0.000 0.250 107 V C 2.939 179.042 176.094 0.015 0.000 1.058 107 V CA 1.711 64.020 62.300 0.016 0.000 1.064 107 V CB -0.966 30.869 31.823 0.019 0.000 0.675 107 V HN 0.598 nan 8.190 nan 0.000 0.461 108 A N -0.061 122.767 122.820 0.014 0.000 1.968 108 A HA 0.052 4.372 4.320 0.001 0.000 0.217 108 A C 2.385 179.975 177.584 0.010 0.000 1.169 108 A CA 1.544 53.589 52.037 0.013 0.000 0.638 108 A CB -0.528 18.479 19.000 0.012 0.000 0.812 108 A HN 0.526 nan 8.150 nan 0.000 0.446 109 A N -1.538 121.288 122.820 0.009 0.000 1.969 109 A HA 0.329 4.649 4.320 0.001 0.000 0.218 109 A C 1.868 179.457 177.584 0.008 0.000 1.169 109 A CA 1.787 53.829 52.037 0.008 0.000 0.635 109 A CB -0.732 18.272 19.000 0.007 0.000 0.810 109 A HN 1.850 nan 8.150 nan 0.000 0.445 110 G N -2.927 105.879 108.800 0.009 0.000 2.148 110 G HA2 -0.106 3.854 3.960 0.001 0.000 0.157 110 G HA3 -0.106 3.854 3.960 0.001 0.000 0.157 110 G C -0.077 174.829 174.900 0.010 0.000 1.012 110 G CA 0.058 45.164 45.100 0.010 0.000 0.677 110 G HN 0.253 nan 8.290 nan 0.000 0.506 111 M N 1.010 120.616 119.600 0.010 0.000 2.242 111 M HA 0.364 4.845 4.480 0.001 0.000 0.344 111 M C 0.706 177.012 176.300 0.012 0.000 1.140 111 M CA -0.687 54.619 55.300 0.010 0.000 1.160 111 M CB 0.416 33.022 32.600 0.009 0.000 1.491 111 M HN 0.224 nan 8.290 nan 0.000 0.459 112 N N 3.118 121.825 118.700 0.011 0.000 2.434 112 N HA 0.066 4.807 4.740 0.001 0.000 0.268 112 N C -2.073 173.445 175.510 0.014 0.000 1.256 112 N CA -1.306 51.752 53.050 0.013 0.000 0.914 112 N CB 0.578 39.072 38.487 0.011 0.000 1.088 112 N HN 0.270 nan 8.380 nan 0.000 0.478 113 P HA -0.158 nan 4.420 nan 0.000 0.216 113 P C 1.073 178.383 177.300 0.016 0.000 1.150 113 P CA 1.243 64.354 63.100 0.017 0.000 0.843 113 P CB 0.133 31.845 31.700 0.020 0.000 0.787 114 M N -1.548 118.061 119.600 0.015 0.000 2.595 114 M HA -0.009 4.471 4.480 0.001 0.000 0.248 114 M C 0.856 177.163 176.300 0.012 0.000 1.119 114 M CA 1.366 56.674 55.300 0.014 0.000 1.079 114 M CB -0.421 32.187 32.600 0.014 0.000 1.472 114 M HN -0.207 nan 8.290 nan 0.000 0.501 115 D N -1.495 118.912 120.400 0.011 0.000 2.469 115 D HA 0.147 4.787 4.640 0.001 0.000 0.240 115 D C 1.788 178.093 176.300 0.009 0.000 1.087 115 D CA 0.356 54.361 54.000 0.009 0.000 0.876 115 D CB 0.263 41.068 40.800 0.009 0.000 1.160 115 D HN 0.268 nan 8.370 nan 0.000 0.497 116 L N 1.359 122.589 121.223 0.010 0.000 2.043 116 L HA -0.213 4.128 4.340 0.001 0.000 0.212 116 L C 2.559 179.436 176.870 0.011 0.000 1.075 116 L CA 1.361 56.208 54.840 0.011 0.000 0.752 116 L CB -0.286 41.780 42.059 0.012 0.000 0.891 116 L HN -0.031 nan 8.230 nan 0.000 0.432 117 K N 0.216 120.623 120.400 0.012 0.000 2.009 117 K HA -0.208 4.113 4.320 0.001 0.000 0.210 117 K C 2.290 178.896 176.600 0.010 0.000 1.049 117 K CA 1.485 57.779 56.287 0.012 0.000 0.929 117 K CB -0.038 32.471 32.500 0.014 0.000 0.714 117 K HN 0.212 nan 8.250 nan 0.000 0.440 118 R N -0.556 119.949 120.500 0.009 0.000 2.127 118 R HA -0.126 4.215 4.340 0.001 0.000 0.238 118 R C 2.382 178.685 176.300 0.006 0.000 1.134 118 R CA 1.329 57.433 56.100 0.007 0.000 0.975 118 R CB -0.410 29.894 30.300 0.006 0.000 0.865 118 R HN 0.386 nan 8.270 nan 0.000 0.447 119 G N 1.048 109.852 108.800 0.006 0.000 2.394 119 G HA2 -0.195 3.766 3.960 0.001 0.000 0.214 119 G HA3 -0.195 3.766 3.960 0.001 0.000 0.214 119 G C 1.450 176.353 174.900 0.005 0.000 1.176 119 G CA 0.386 45.489 45.100 0.005 0.000 0.786 119 G HN 0.134 nan 8.290 nan 0.000 0.533 120 I N 1.179 121.753 120.570 0.006 0.000 2.127 120 I HA -0.173 3.997 4.170 0.001 0.000 0.241 120 I C 2.407 178.526 176.117 0.003 0.000 1.075 120 I CA 1.397 62.701 61.300 0.006 0.000 1.334 120 I CB -0.237 37.769 38.000 0.009 0.000 1.040 120 I HN 0.061 nan 8.210 nan 0.000 0.405 121 D N 0.882 121.284 120.400 0.003 0.000 2.106 121 D HA -0.249 4.392 4.640 0.001 0.000 0.191 121 D C 2.066 178.365 176.300 -0.002 0.000 0.997 121 D CA 1.423 55.423 54.000 0.000 0.000 0.834 121 D CB -0.337 40.465 40.800 0.003 0.000 0.956 121 D HN 0.291 nan 8.370 nan 0.000 0.448 122 K N 0.538 120.938 120.400 -0.000 0.000 2.097 122 K HA -0.085 4.235 4.320 0.001 0.000 0.206 122 K C 1.983 178.581 176.600 -0.003 0.000 1.049 122 K CA 1.199 57.486 56.287 -0.001 0.000 0.933 122 K CB -0.005 32.495 32.500 0.000 0.000 0.717 122 K HN 0.045 nan 8.250 nan 0.000 0.442 123 A N 0.467 123.286 122.820 -0.002 0.000 1.898 123 A HA -0.077 4.243 4.320 0.001 0.000 0.216 123 A C 2.186 179.766 177.584 -0.006 0.000 1.181 123 A CA 1.334 53.370 52.037 -0.002 0.000 0.620 123 A CB -0.525 18.476 19.000 0.000 0.000 0.819 123 A HN 0.148 nan 8.150 nan 0.000 0.442 124 V N -0.025 119.884 119.914 -0.009 0.000 2.233 124 V HA -0.278 3.843 4.120 0.001 0.000 0.247 124 V C 2.781 178.862 176.094 -0.021 0.000 1.050 124 V CA 2.636 64.926 62.300 -0.018 0.000 1.010 124 V CB -1.413 30.396 31.823 -0.022 0.000 0.637 124 V HN 0.617 nan 8.190 nan 0.000 0.444 125 T N 0.538 115.082 114.554 -0.017 0.000 2.635 125 T HA -0.249 4.101 4.350 0.001 0.000 0.267 125 T C 2.052 176.745 174.700 -0.013 0.000 1.040 125 T CA 1.938 64.028 62.100 -0.016 0.000 1.156 125 T CB -0.617 68.244 68.868 -0.011 0.000 0.863 125 T HN 0.588 nan 8.240 nan 0.000 0.430 126 A N 1.440 124.255 122.820 -0.009 0.000 1.908 126 A HA 0.086 4.406 4.320 0.001 0.000 0.218 126 A C 2.649 180.229 177.584 -0.007 0.000 1.181 126 A CA 2.057 54.090 52.037 -0.006 0.000 0.627 126 A CB -1.158 17.840 19.000 -0.003 0.000 0.818 126 A HN 0.541 nan 8.150 nan 0.000 0.445 127 A N -0.713 122.102 122.820 -0.008 0.000 1.873 127 A HA 0.024 4.344 4.320 0.001 0.000 0.215 127 A C 2.221 179.797 177.584 -0.013 0.000 1.186 127 A CA 1.668 53.700 52.037 -0.009 0.000 0.616 127 A CB -0.997 17.997 19.000 -0.009 0.000 0.823 127 A HN 0.400 nan 8.150 nan 0.000 0.442 128 V N 0.462 120.364 119.914 -0.021 0.000 2.332 128 V HA -0.249 3.871 4.120 0.001 0.000 0.248 128 V C 2.599 178.681 176.094 -0.019 0.000 1.055 128 V CA 2.281 64.564 62.300 -0.028 0.000 1.038 128 V CB -0.661 31.138 31.823 -0.039 0.000 0.651 128 V HN 0.549 nan 8.190 nan 0.000 0.450 129 E N -0.410 119.781 120.200 -0.014 0.000 2.033 129 E HA -0.130 4.221 4.350 0.001 0.000 0.189 129 E C 2.231 178.828 176.600 -0.006 0.000 0.979 129 E CA 0.766 57.161 56.400 -0.009 0.000 0.802 129 E CB -0.269 29.427 29.700 -0.007 0.000 0.763 129 E HN 0.583 nan 8.360 nan 0.000 0.449 130 E N 0.891 121.089 120.200 -0.004 0.000 2.338 130 E HA -0.073 4.278 4.350 0.001 0.000 0.197 130 E C 2.273 178.873 176.600 0.001 0.000 1.007 130 E CA 0.157 56.557 56.400 -0.001 0.000 0.849 130 E CB -0.080 29.620 29.700 0.001 0.000 0.774 130 E HN 0.264 nan 8.360 nan 0.000 0.506 131 L N 0.487 121.709 121.223 -0.002 0.000 2.131 131 L HA -0.207 4.134 4.340 0.001 0.000 0.210 131 L C 2.140 179.010 176.870 -0.000 0.000 1.092 131 L CA 1.147 55.986 54.840 -0.001 0.000 0.759 131 L CB -0.157 41.899 42.059 -0.005 0.000 0.903 131 L HN -0.018 nan 8.230 nan 0.000 0.435 132 K N 0.076 120.475 120.400 -0.002 0.000 2.155 132 K HA -0.031 4.290 4.320 0.001 0.000 0.203 132 K C 1.996 178.598 176.600 0.002 0.000 1.052 132 K CA 1.123 57.410 56.287 -0.000 0.000 0.948 132 K CB -0.373 32.126 32.500 -0.002 0.000 0.728 132 K HN 0.216 nan 8.250 nan 0.000 0.448 133 A N -0.127 122.694 122.820 0.003 0.000 2.209 133 A HA -0.019 4.302 4.320 0.001 0.000 0.212 133 A C 1.387 178.975 177.584 0.007 0.000 1.158 133 A CA 0.973 53.013 52.037 0.005 0.000 0.742 133 A CB -0.180 18.822 19.000 0.004 0.000 0.790 133 A HN 0.152 nan 8.150 nan 0.000 0.472 134 L N -1.090 120.137 121.223 0.008 0.000 2.693 134 L HA 0.257 4.598 4.340 0.001 0.000 0.235 134 L C 0.921 177.797 176.870 0.010 0.000 1.127 134 L CA 0.509 55.356 54.840 0.011 0.000 0.914 134 L CB 0.380 42.447 42.059 0.013 0.000 1.193 134 L HN 0.200 nan 8.230 nan 0.000 0.502 135 S N -1.275 114.429 115.700 0.007 0.000 2.541 135 S HA 0.272 4.742 4.470 0.001 0.000 0.283 135 S C 1.296 175.900 174.600 0.006 0.000 1.196 135 S CA -0.396 57.808 58.200 0.006 0.000 1.062 135 S CB 1.534 64.737 63.200 0.004 0.000 1.009 135 S HN 0.120 nan 8.310 nan 0.000 0.502 136 V N 3.602 123.520 119.914 0.006 0.000 3.141 136 V HA 0.117 4.237 4.120 0.001 0.000 0.265 136 V C -0.741 175.356 176.094 0.005 0.000 1.126 136 V CA 0.539 62.843 62.300 0.006 0.000 1.141 136 V CB -2.040 29.786 31.823 0.006 0.000 0.743 136 V HN 0.697 nan 8.190 nan 0.000 0.492 137 P HA 0.040 nan 4.420 nan 0.000 0.213 137 P C 0.565 177.867 177.300 0.003 0.000 1.170 137 P CA 1.455 64.557 63.100 0.003 0.000 0.893 137 P CB -0.065 31.637 31.700 0.003 0.000 0.784 138 C N -4.145 115.156 119.300 0.002 0.000 3.136 138 C HA 0.511 4.971 4.460 0.001 0.000 0.376 138 C C 0.425 175.416 174.990 0.001 0.000 1.114 138 C CA 0.444 59.463 59.018 0.001 0.000 1.110 138 C CB 0.592 28.332 27.740 0.001 0.000 1.452 138 C HN 0.245 nan 8.230 nan 0.000 0.542 139 S N 1.045 116.745 115.700 -0.000 0.000 2.138 139 S HA 0.123 4.593 4.470 0.001 0.000 0.214 139 S C -0.572 174.027 174.600 -0.002 0.000 0.829 139 S CA 0.869 59.068 58.200 -0.001 0.000 1.385 139 S CB -0.514 62.686 63.200 -0.000 0.000 0.905 139 S HN 1.111 nan 8.310 nan 0.000 0.374 140 D N 1.578 121.976 120.400 -0.002 0.000 2.329 140 D HA 0.457 5.097 4.640 0.001 0.000 0.246 140 D C 0.929 177.226 176.300 -0.005 0.000 1.111 140 D CA 0.096 54.094 54.000 -0.003 0.000 0.941 140 D CB 0.968 41.767 40.800 -0.002 0.000 1.169 140 D HN 0.052 nan 8.370 nan 0.000 0.441 141 S N 0.386 116.083 115.700 -0.005 0.000 2.419 141 S HA -0.181 4.290 4.470 0.001 0.000 0.233 141 S C 1.578 176.174 174.600 -0.008 0.000 1.016 141 S CA 1.134 59.330 58.200 -0.007 0.000 0.974 141 S CB -0.300 62.896 63.200 -0.007 0.000 0.786 141 S HN 0.682 nan 8.310 nan 0.000 0.492 142 K N 1.731 122.126 120.400 -0.007 0.000 2.026 142 K HA -0.101 4.219 4.320 0.001 0.000 0.208 142 K C 2.229 178.824 176.600 -0.008 0.000 1.048 142 K CA 1.291 57.574 56.287 -0.008 0.000 0.929 142 K CB -0.388 32.107 32.500 -0.007 0.000 0.713 142 K HN 0.292 nan 8.250 nan 0.000 0.439 143 A N 1.591 124.407 122.820 -0.006 0.000 1.858 143 A HA -0.134 4.186 4.320 0.001 0.000 0.216 143 A C 2.085 179.664 177.584 -0.007 0.000 1.190 143 A CA 1.452 53.485 52.037 -0.006 0.000 0.617 143 A CB -0.580 18.418 19.000 -0.003 0.000 0.827 143 A HN 0.314 nan 8.150 nan 0.000 0.443 144 I N 0.216 120.782 120.570 -0.008 0.000 2.151 144 I HA -0.305 3.865 4.170 0.001 0.000 0.243 144 I C 2.972 179.082 176.117 -0.012 0.000 1.080 144 I CA 1.662 62.956 61.300 -0.009 0.000 1.339 144 I CB -1.668 36.326 38.000 -0.010 0.000 1.039 144 I HN 0.384 nan 8.210 nan 0.000 0.409 145 A N 0.065 122.878 122.820 -0.012 0.000 1.908 145 A HA -0.292 4.028 4.320 0.001 0.000 0.218 145 A C 2.359 179.935 177.584 -0.014 0.000 1.181 145 A CA 2.148 54.176 52.037 -0.013 0.000 0.627 145 A CB -0.776 18.216 19.000 -0.013 0.000 0.818 145 A HN 0.558 nan 8.150 nan 0.000 0.445 146 Q N -0.494 119.298 119.800 -0.013 0.000 2.123 146 Q HA -0.076 4.264 4.340 0.001 0.000 0.199 146 Q C 1.845 177.839 176.000 -0.011 0.000 0.966 146 Q CA 1.569 57.364 55.803 -0.013 0.000 0.845 146 Q CB -0.206 28.524 28.738 -0.013 0.000 0.907 146 Q HN 0.356 nan 8.270 nan 0.000 0.439 147 V N 0.509 120.418 119.914 -0.009 0.000 2.332 147 V HA -0.249 3.872 4.120 0.001 0.000 0.248 147 V C 2.239 178.328 176.094 -0.010 0.000 1.055 147 V CA 1.929 64.225 62.300 -0.007 0.000 1.038 147 V CB -1.165 30.655 31.823 -0.006 0.000 0.651 147 V HN 0.654 nan 8.190 nan 0.000 0.450 148 G N 0.059 108.851 108.800 -0.013 0.000 2.422 148 G HA2 -0.272 3.688 3.960 0.001 0.000 0.218 148 G HA3 -0.272 3.688 3.960 0.001 0.000 0.218 148 G C 1.784 176.675 174.900 -0.015 0.000 1.146 148 G CA 1.634 46.724 45.100 -0.017 0.000 0.769 148 G HN 0.589 nan 8.290 nan 0.000 0.547 149 T N -0.270 114.276 114.554 -0.013 0.000 2.737 149 T HA 0.024 4.374 4.350 0.001 0.000 0.265 149 T C 2.402 177.096 174.700 -0.009 0.000 1.038 149 T CA 1.085 63.178 62.100 -0.013 0.000 1.144 149 T CB -0.283 68.576 68.868 -0.015 0.000 0.866 149 T HN 0.226 nan 8.240 nan 0.000 0.434 150 I N 1.451 122.016 120.570 -0.008 0.000 2.353 150 I HA -0.064 4.106 4.170 0.001 0.000 0.248 150 I C 2.905 179.023 176.117 0.001 0.000 1.119 150 I CA 1.092 62.390 61.300 -0.004 0.000 1.417 150 I CB -0.415 37.584 38.000 -0.003 0.000 1.078 150 I HN 0.303 nan 8.210 nan 0.000 0.421 151 S N 0.436 116.135 115.700 -0.000 0.000 2.547 151 S HA 0.041 4.511 4.470 0.001 0.000 0.235 151 S C 1.484 176.085 174.600 0.002 0.000 0.980 151 S CA 0.971 59.173 58.200 0.003 0.000 0.941 151 S CB -0.119 63.081 63.200 -0.001 0.000 0.763 151 S HN 0.453 nan 8.310 nan 0.000 0.532 152 A N 0.948 123.767 122.820 -0.002 0.000 2.564 152 A HA 0.427 4.748 4.320 0.001 0.000 0.279 152 A C 0.812 178.396 177.584 -0.000 0.000 1.232 152 A CA 0.003 52.039 52.037 -0.001 0.000 0.950 152 A CB -0.374 18.621 19.000 -0.007 0.000 1.138 152 A HN 0.593 nan 8.150 nan 0.000 0.526 153 N N -0.828 117.873 118.700 0.002 0.000 2.909 153 N HA -0.233 4.507 4.740 0.001 0.000 0.242 153 N C 0.074 175.582 175.510 -0.003 0.000 0.975 153 N CA 1.153 54.204 53.050 0.002 0.000 0.921 153 N CB -0.906 37.583 38.487 0.004 0.000 1.112 153 N HN 0.533 nan 8.380 nan 0.000 0.581 154 S N -1.097 114.599 115.700 -0.006 0.000 2.380 154 S HA -0.097 4.373 4.470 0.001 0.000 0.226 154 S C -0.707 173.885 174.600 -0.012 0.000 1.419 154 S CA 0.153 58.347 58.200 -0.011 0.000 1.003 154 S CB -0.741 62.452 63.200 -0.013 0.000 1.270 154 S HN 0.516 nan 8.310 nan 0.000 0.694 155 D N 2.268 122.662 120.400 -0.010 0.000 2.382 155 D HA 0.099 4.740 4.640 0.001 0.000 0.259 155 D C 1.129 177.421 176.300 -0.013 0.000 1.224 155 D CA 0.412 54.406 54.000 -0.011 0.000 0.894 155 D CB 0.610 41.405 40.800 -0.009 0.000 1.127 155 D HN 0.457 nan 8.370 nan 0.000 0.487 156 E N 1.518 121.710 120.200 -0.014 0.000 2.160 156 E HA -0.196 4.155 4.350 0.001 0.000 0.195 156 E C 1.863 178.455 176.600 -0.014 0.000 0.991 156 E CA 1.573 57.964 56.400 -0.015 0.000 0.810 156 E CB 0.126 29.817 29.700 -0.015 0.000 0.742 156 E HN 0.654 nan 8.360 nan 0.000 0.466 157 T N -1.468 113.079 114.554 -0.013 0.000 2.851 157 T HA -0.041 4.309 4.350 0.001 0.000 0.262 157 T C 2.143 176.834 174.700 -0.015 0.000 1.043 157 T CA 0.762 62.854 62.100 -0.013 0.000 1.140 157 T CB -0.426 68.436 68.868 -0.012 0.000 0.872 157 T HN -0.031 nan 8.240 nan 0.000 0.446 158 V N 2.040 121.945 119.914 -0.015 0.000 2.407 158 V HA 0.038 4.158 4.120 0.001 0.000 0.248 158 V C 3.111 179.193 176.094 -0.019 0.000 1.055 158 V CA 1.773 64.062 62.300 -0.018 0.000 1.049 158 V CB -1.552 30.261 31.823 -0.017 0.000 0.662 158 V HN 0.677 nan 8.190 nan 0.000 0.455 159 G N -0.131 108.659 108.800 -0.017 0.000 2.421 159 G HA2 -0.313 3.648 3.960 0.001 0.000 0.216 159 G HA3 -0.313 3.648 3.960 0.001 0.000 0.216 159 G C 1.620 176.510 174.900 -0.017 0.000 1.171 159 G CA 1.125 46.215 45.100 -0.017 0.000 0.775 159 G HN 0.504 nan 8.290 nan 0.000 0.543 160 K N -0.370 120.020 120.400 -0.016 0.000 2.009 160 K HA -0.098 4.222 4.320 0.001 0.000 0.210 160 K C 2.471 179.061 176.600 -0.016 0.000 1.049 160 K CA 1.241 57.519 56.287 -0.015 0.000 0.929 160 K CB -0.287 32.204 32.500 -0.014 0.000 0.714 160 K HN 0.184 nan 8.250 nan 0.000 0.440 161 L N 1.424 122.637 121.223 -0.017 0.000 2.046 161 L HA -0.143 4.198 4.340 0.001 0.000 0.208 161 L C 2.269 179.126 176.870 -0.022 0.000 1.077 161 L CA 1.516 56.345 54.840 -0.019 0.000 0.747 161 L CB -0.525 41.522 42.059 -0.020 0.000 0.896 161 L HN 0.287 nan 8.230 nan 0.000 0.432 162 I N -0.941 119.615 120.570 -0.024 0.000 2.226 162 I HA -0.297 3.873 4.170 0.001 0.000 0.245 162 I C 2.495 178.599 176.117 -0.021 0.000 1.100 162 I CA 1.180 62.465 61.300 -0.026 0.000 1.374 162 I CB -0.446 37.537 38.000 -0.029 0.000 1.057 162 I HN 0.223 nan 8.210 nan 0.000 0.413 163 A N 0.211 123.021 122.820 -0.018 0.000 2.015 163 A HA -0.189 4.131 4.320 0.001 0.000 0.219 163 A C 2.166 179.742 177.584 -0.014 0.000 1.163 163 A CA 1.465 53.493 52.037 -0.015 0.000 0.646 163 A CB -0.436 18.555 19.000 -0.014 0.000 0.806 163 A HN 0.450 nan 8.150 nan 0.000 0.448 164 E N -0.361 119.830 120.200 -0.015 0.000 2.076 164 E HA 0.012 4.362 4.350 0.001 0.000 0.190 164 E C 2.334 178.926 176.600 -0.014 0.000 0.979 164 E CA 0.733 57.125 56.400 -0.013 0.000 0.807 164 E CB -0.210 29.482 29.700 -0.013 0.000 0.761 164 E HN 0.601 nan 8.360 nan 0.000 0.454 165 A N 1.200 124.010 122.820 -0.017 0.000 1.873 165 A HA -0.128 4.193 4.320 0.001 0.000 0.215 165 A C 2.131 179.705 177.584 -0.016 0.000 1.186 165 A CA 1.195 53.221 52.037 -0.018 0.000 0.616 165 A CB -0.364 18.622 19.000 -0.023 0.000 0.823 165 A HN 0.113 nan 8.150 nan 0.000 0.442 166 M N -0.877 118.713 119.600 -0.017 0.000 2.476 166 M HA -0.075 4.406 4.480 0.001 0.000 0.262 166 M C 1.653 177.946 176.300 -0.011 0.000 1.079 166 M CA 1.488 56.780 55.300 -0.014 0.000 1.104 166 M CB -0.378 32.213 32.600 -0.015 0.000 1.409 166 M HN 0.557 nan 8.290 nan 0.000 0.467 167 D N 0.823 121.217 120.400 -0.011 0.000 2.103 167 D HA -0.120 4.520 4.640 0.001 0.000 0.199 167 D C 1.872 178.167 176.300 -0.008 0.000 0.978 167 D CA 1.375 55.370 54.000 -0.009 0.000 0.829 167 D CB 0.287 41.082 40.800 -0.009 0.000 0.981 167 D HN 0.162 nan 8.370 nan 0.000 0.464 168 K N -0.490 119.905 120.400 -0.009 0.000 2.002 168 K HA -0.052 4.268 4.320 0.001 0.000 0.209 168 K C 1.863 178.459 176.600 -0.008 0.000 1.048 168 K CA 1.001 57.283 56.287 -0.008 0.000 0.930 168 K CB -0.154 32.341 32.500 -0.009 0.000 0.714 168 K HN 0.049 nan 8.250 nan 0.000 0.438 169 V N -0.202 119.707 119.914 -0.009 0.000 3.644 169 V HA 0.175 4.296 4.120 0.001 0.000 0.267 169 V C 0.317 176.407 176.094 -0.007 0.000 1.277 169 V CA 0.845 63.140 62.300 -0.008 0.000 1.096 169 V CB 0.047 31.864 31.823 -0.010 0.000 0.828 169 V HN 0.646 nan 8.190 nan 0.000 0.446 170 G N 0.552 109.348 108.800 -0.007 0.000 2.795 170 G HA2 -0.236 3.725 3.960 0.001 0.000 0.664 170 G HA3 -0.236 3.725 3.960 0.001 0.000 0.664 170 G C 0.153 175.049 174.900 -0.006 0.000 1.381 170 G CA 0.145 45.242 45.100 -0.006 0.000 0.853 170 G HN 0.306 nan 8.290 nan 0.000 0.545 171 K N -0.161 120.237 120.400 -0.004 0.000 2.432 171 K HA 0.081 4.401 4.320 0.001 0.000 0.196 171 K C 1.507 178.106 176.600 -0.002 0.000 1.038 171 K CA 1.431 57.716 56.287 -0.004 0.000 0.986 171 K CB 0.212 32.710 32.500 -0.003 0.000 0.782 171 K HN 0.358 nan 8.250 nan 0.000 0.485 172 E N -0.017 120.182 120.200 -0.001 0.000 2.758 172 E HA 0.132 4.482 4.350 0.001 0.000 0.215 172 E C 0.054 176.655 176.600 0.002 0.000 0.985 172 E CA -0.266 56.135 56.400 0.002 0.000 1.102 172 E CB 0.699 30.401 29.700 0.003 0.000 1.042 172 E HN 0.250 nan 8.360 nan 0.000 0.480 173 G N -0.351 108.448 108.800 -0.001 0.000 2.653 173 G HA2 0.343 4.303 3.960 0.001 0.000 0.265 173 G HA3 0.343 4.303 3.960 0.001 0.000 0.265 173 G C -0.399 174.498 174.900 -0.005 0.000 1.237 173 G CA -0.443 44.655 45.100 -0.003 0.000 0.946 173 G HN 0.047 nan 8.290 nan 0.000 0.522 174 V N 0.246 120.155 119.914 -0.007 0.000 2.394 174 V HA 0.448 4.569 4.120 0.001 0.000 0.282 174 V C -0.398 175.686 176.094 -0.018 0.000 1.031 174 V CA -0.405 61.887 62.300 -0.012 0.000 0.881 174 V CB 1.062 32.877 31.823 -0.013 0.000 0.982 174 V HN 0.454 nan 8.190 nan 0.000 0.451 175 I N 4.169 124.724 120.570 -0.025 0.000 2.509 175 I HA 0.706 4.877 4.170 0.001 0.000 0.293 175 I C 0.295 176.391 176.117 -0.035 0.000 1.020 175 I CA 0.025 61.305 61.300 -0.033 0.000 1.088 175 I CB 2.345 40.319 38.000 -0.045 0.000 1.267 175 I HN 0.829 nan 8.210 nan 0.000 0.430 176 T N 2.700 117.237 114.554 -0.029 0.000 2.887 176 T HA 0.874 5.224 4.350 0.001 0.000 0.292 176 T C -0.979 173.706 174.700 -0.025 0.000 1.087 176 T CA -0.731 61.356 62.100 -0.023 0.000 1.009 176 T CB 1.647 70.509 68.868 -0.010 0.000 1.203 176 T HN 0.229 nan 8.240 nan 0.000 0.518 177 V N 1.325 121.229 119.914 -0.016 0.000 2.495 177 V HA 0.610 4.730 4.120 0.001 0.000 0.298 177 V C -0.175 175.916 176.094 -0.005 0.000 1.031 177 V CA -0.787 61.505 62.300 -0.014 0.000 0.871 177 V CB 1.319 33.133 31.823 -0.015 0.000 0.988 177 V HN 0.992 nan 8.190 nan 0.000 0.432 178 E N 1.728 121.924 120.200 -0.007 0.000 2.263 178 E HA 0.461 4.811 4.350 0.001 0.000 0.264 178 E C -1.222 175.375 176.600 -0.005 0.000 0.923 178 E CA -0.826 55.571 56.400 -0.006 0.000 0.802 178 E CB 2.147 31.841 29.700 -0.009 0.000 1.228 178 E HN 0.757 nan 8.360 nan 0.000 0.417 179 D N -0.193 120.205 120.400 -0.003 0.000 2.393 179 D HA 0.244 4.884 4.640 0.001 0.000 0.246 179 D C 0.049 176.346 176.300 -0.004 0.000 1.275 179 D CA -0.056 53.943 54.000 -0.002 0.000 0.979 179 D CB 0.420 41.219 40.800 -0.001 0.000 1.101 179 D HN 0.412 nan 8.370 nan 0.000 0.505 180 G N -0.924 107.874 108.800 -0.003 0.000 2.394 180 G HA2 0.264 4.224 3.960 0.001 0.000 0.298 180 G HA3 0.264 4.224 3.960 0.001 0.000 0.298 180 G C 0.948 175.845 174.900 -0.005 0.000 1.087 180 G CA -0.407 44.691 45.100 -0.004 0.000 1.035 180 G HN 0.483 nan 8.290 nan 0.000 0.420 181 T N 0.337 114.888 114.554 -0.006 0.000 3.023 181 T HA 0.367 4.717 4.350 0.001 0.000 0.266 181 T C 1.220 175.917 174.700 -0.006 0.000 1.093 181 T CA 0.708 62.805 62.100 -0.006 0.000 1.129 181 T CB 0.386 69.249 68.868 -0.007 0.000 0.899 181 T HN 0.868 nan 8.240 nan 0.000 0.491 182 G N 0.230 109.027 108.800 -0.005 0.000 2.650 182 G HA2 0.475 4.435 3.960 0.001 0.000 0.310 182 G HA3 0.475 4.435 3.960 0.001 0.000 0.310 182 G C -0.446 174.451 174.900 -0.005 0.000 1.270 182 G CA -0.320 44.777 45.100 -0.005 0.000 0.810 182 G HN 0.099 nan 8.290 nan 0.000 0.493 183 L N -0.335 120.886 121.223 -0.005 0.000 2.418 183 L HA 0.370 4.710 4.340 0.001 0.000 0.218 183 L C 0.597 177.463 176.870 -0.005 0.000 1.125 183 L CA 1.003 55.840 54.840 -0.005 0.000 0.835 183 L CB -0.351 41.705 42.059 -0.004 0.000 0.953 183 L HN 0.356 nan 8.230 nan 0.000 0.454 184 Q N 0.534 120.331 119.800 -0.006 0.000 2.266 184 Q HA 0.277 4.617 4.340 0.001 0.000 0.261 184 Q C -0.844 175.152 176.000 -0.007 0.000 0.985 184 Q CA -0.561 55.238 55.803 -0.007 0.000 0.873 184 Q CB 1.203 29.937 28.738 -0.007 0.000 1.306 184 Q HN 0.178 nan 8.270 nan 0.000 0.447 185 D N 1.668 122.063 120.400 -0.008 0.000 2.341 185 D HA 0.138 4.778 4.640 0.001 0.000 0.245 185 D C -0.246 176.049 176.300 -0.009 0.000 1.106 185 D CA 0.205 54.200 54.000 -0.009 0.000 0.905 185 D CB 1.125 41.919 40.800 -0.010 0.000 1.202 185 D HN 0.336 nan 8.370 nan 0.000 0.426 186 E N 0.804 120.998 120.200 -0.010 0.000 2.227 186 E HA 0.491 4.842 4.350 0.001 0.000 0.268 186 E C -0.415 176.178 176.600 -0.011 0.000 0.907 186 E CA -0.744 55.650 56.400 -0.010 0.000 0.786 186 E CB 2.387 32.081 29.700 -0.010 0.000 1.191 186 E HN 0.182 nan 8.360 nan 0.000 0.411 187 L N 2.952 124.168 121.223 -0.011 0.000 2.551 187 L HA 0.232 4.573 4.340 0.001 0.000 0.248 187 L C -1.104 175.759 176.870 -0.012 0.000 1.509 187 L CA -0.460 54.373 54.840 -0.013 0.000 0.842 187 L CB 0.493 42.544 42.059 -0.013 0.000 1.087 187 L HN 0.492 nan 8.230 nan 0.000 0.512 188 D N 1.512 121.905 120.400 -0.012 0.000 2.372 188 D HA 0.238 4.879 4.640 0.001 0.000 0.243 188 D C 0.063 176.357 176.300 -0.011 0.000 1.121 188 D CA 0.197 54.190 54.000 -0.011 0.000 0.898 188 D CB 2.265 43.058 40.800 -0.011 0.000 1.202 188 D HN 0.189 nan 8.370 nan 0.000 0.428 189 V N -0.447 119.462 119.914 -0.010 0.000 2.581 189 V HA 0.833 4.953 4.120 0.001 0.000 0.303 189 V C -0.054 176.035 176.094 -0.008 0.000 1.041 189 V CA -0.619 61.675 62.300 -0.009 0.000 0.907 189 V CB 1.733 33.551 31.823 -0.008 0.000 0.994 189 V HN 0.351 nan 8.190 nan 0.000 0.442 190 V N 1.602 121.511 119.914 -0.007 0.000 3.279 190 V HA 0.587 4.707 4.120 0.001 0.000 0.296 190 V C -1.257 174.834 176.094 -0.004 0.000 1.470 190 V CA -0.477 61.819 62.300 -0.007 0.000 1.065 190 V CB 2.507 34.325 31.823 -0.009 0.000 1.124 190 V HN 1.113 nan 8.190 nan 0.000 0.461 191 E N 0.868 121.066 120.200 -0.002 0.000 2.292 191 E HA 0.873 5.223 4.350 0.001 0.000 0.258 191 E C 0.172 176.774 176.600 0.003 0.000 1.115 191 E CA 0.299 56.700 56.400 0.002 0.000 0.929 191 E CB 1.389 31.091 29.700 0.004 0.000 1.161 191 E HN 1.430 nan 8.360 nan 0.000 0.453 192 G N -0.650 108.156 108.800 0.009 0.000 2.356 192 G HA2 0.327 4.287 3.960 0.001 0.000 0.288 192 G HA3 0.327 4.287 3.960 0.001 0.000 0.288 192 G C -1.576 173.339 174.900 0.024 0.000 1.302 192 G CA -0.536 44.572 45.100 0.013 0.000 0.887 192 G HN 0.408 nan 8.290 nan 0.000 0.521 193 M N 0.836 120.453 119.600 0.028 0.000 2.255 193 M HA 0.496 4.976 4.480 0.001 0.000 0.275 193 M C -1.244 175.067 176.300 0.018 0.000 1.050 193 M CA -0.577 54.759 55.300 0.059 0.000 0.978 193 M CB 2.010 34.682 32.600 0.120 0.000 1.761 193 M HN 0.750 nan 8.290 nan 0.000 0.479 194 Q N 4.570 124.375 119.800 0.010 0.000 2.245 194 Q HA 0.714 5.054 4.340 0.001 0.000 0.256 194 Q C -1.939 174.092 176.000 0.052 0.000 0.942 194 Q CA -0.498 55.260 55.803 -0.076 0.000 0.896 194 Q CB 1.475 30.188 28.738 -0.041 0.000 1.272 194 Q HN 0.637 nan 8.270 nan 0.000 0.442 195 F N -0.117 119.848 119.950 0.024 0.000 2.631 195 F HA 0.403 4.930 4.527 0.001 0.000 0.308 195 F C -0.898 174.915 175.800 0.022 0.000 1.097 195 F CA -1.356 56.659 58.000 0.024 0.000 0.952 195 F CB 0.953 39.969 39.000 0.028 0.000 1.307 195 F HN 0.305 nan 8.300 nan 0.000 0.450 196 D N 2.086 122.636 120.400 0.250 0.000 2.934 196 D HA 0.228 4.868 4.640 0.001 0.000 0.237 196 D C -0.395 175.987 176.300 0.137 0.000 1.158 196 D CA 0.236 54.312 54.000 0.127 0.000 0.971 196 D CB -0.232 40.623 40.800 0.092 0.000 1.123 196 D HN 0.315 nan 8.370 nan 0.000 0.467 197 R N -0.289 120.315 120.500 0.173 0.000 2.534 197 R HA 0.636 4.976 4.340 0.001 0.000 0.301 197 R C 0.648 176.954 176.300 0.011 0.000 0.961 197 R CA -0.693 55.485 56.100 0.130 0.000 0.871 197 R CB 1.770 32.242 30.300 0.287 0.000 1.170 197 R HN 0.111 nan 8.270 nan 0.000 0.446 198 G N 1.432 110.177 108.800 -0.092 0.000 2.580 198 G HA2 0.258 4.218 3.960 0.001 0.000 0.278 198 G HA3 0.258 4.218 3.960 0.001 0.000 0.278 198 G C -0.652 174.135 174.900 -0.189 0.000 1.212 198 G CA -0.489 44.459 45.100 -0.254 0.000 0.939 198 G HN 0.569 nan 8.290 nan 0.000 0.513 199 Y N -1.465 118.891 120.300 0.093 0.000 2.709 199 Y HA 0.163 4.713 4.550 0.001 0.000 0.348 199 Y C 1.201 177.200 175.900 0.165 0.000 1.267 199 Y CA -0.639 57.566 58.100 0.176 0.000 1.486 199 Y CB 0.302 38.891 38.460 0.215 0.000 1.356 199 Y HN 0.187 nan 8.280 nan 0.000 0.639 200 L N 0.922 122.434 121.223 0.480 0.000 2.567 200 L HA 0.166 4.507 4.340 0.001 0.000 0.225 200 L C 0.609 177.601 176.870 0.204 0.000 1.119 200 L CA 0.635 55.678 54.840 0.338 0.000 0.871 200 L CB 0.022 42.280 42.059 0.332 0.000 1.036 200 L HN 0.757 nan 8.230 nan 0.000 0.459 201 S N -1.641 114.066 115.700 0.012 0.000 2.543 201 S HA 0.370 4.840 4.470 0.001 0.000 0.271 201 S C -2.229 172.003 174.600 -0.613 0.000 1.148 201 S CA -0.968 56.955 58.200 -0.461 0.000 0.914 201 S CB 1.728 64.263 63.200 -1.108 0.000 1.096 201 S HN -0.251 nan 8.310 nan 0.000 0.471 202 P HA -0.004 nan 4.420 nan 0.000 0.220 202 P C 0.433 177.345 177.300 -0.647 0.000 1.148 202 P CA 1.008 63.646 63.100 -0.770 0.000 0.803 202 P CB -0.092 31.258 31.700 -0.583 0.000 0.782 203 Y N -2.452 117.572 120.300 -0.459 0.000 2.632 203 Y HA -0.048 4.502 4.550 0.000 0.000 0.301 203 Y C 1.543 177.352 175.900 -0.151 0.000 1.172 203 Y CA 0.301 58.225 58.100 -0.293 0.000 1.328 203 Y CB -0.859 37.449 38.460 -0.253 0.000 1.016 203 Y HN -0.081 nan 8.280 nan 0.000 0.529 204 F N -0.433 119.495 119.950 -0.037 0.000 2.615 204 F HA 0.063 4.590 4.527 0.001 0.000 0.297 204 F C 0.936 176.675 175.800 -0.101 0.000 1.124 204 F CA -0.634 57.337 58.000 -0.050 0.000 1.451 204 F CB -0.864 38.115 39.000 -0.036 0.000 1.103 204 F HN -0.128 nan 8.300 nan 0.000 0.569 205 I N 2.962 123.500 120.570 -0.053 0.000 2.578 205 I HA -0.094 4.077 4.170 0.001 0.000 0.286 205 I C 0.958 177.054 176.117 -0.034 0.000 1.126 205 I CA 0.068 61.309 61.300 -0.099 0.000 1.380 205 I CB 0.204 38.063 38.000 -0.234 0.000 1.408 205 I HN 0.121 nan 8.210 nan 0.000 0.532 206 N N 5.495 124.193 118.700 -0.002 0.000 2.254 206 N HA -0.004 4.737 4.740 0.001 0.000 0.190 206 N C 0.036 175.546 175.510 0.000 0.000 1.107 206 N CA 0.195 53.248 53.050 0.005 0.000 0.869 206 N CB 0.413 38.911 38.487 0.018 0.000 0.983 206 N HN 0.244 nan 8.380 nan 0.000 0.487 207 K N 1.678 122.077 120.400 -0.002 0.000 2.484 207 K HA 0.302 4.623 4.320 0.001 0.000 0.226 207 K C -2.005 174.590 176.600 -0.009 0.000 1.031 207 K CA -1.703 54.587 56.287 0.005 0.000 1.026 207 K CB 2.356 34.871 32.500 0.025 0.000 1.412 207 K HN 0.075 nan 8.250 nan 0.000 0.492 208 P HA -0.040 nan 4.420 nan 0.000 0.224 208 P C 0.693 177.981 177.300 -0.020 0.000 1.157 208 P CA 0.784 63.863 63.100 -0.035 0.000 0.799 208 P CB 0.682 32.359 31.700 -0.038 0.000 0.809 209 E N 0.032 120.231 120.200 -0.002 0.000 2.072 209 E HA -0.064 4.287 4.350 0.001 0.000 0.190 209 E C 1.801 178.411 176.600 0.017 0.000 0.982 209 E CA 1.451 57.856 56.400 0.008 0.000 0.803 209 E CB -0.827 28.883 29.700 0.018 0.000 0.755 209 E HN 0.271 nan 8.360 nan 0.000 0.453 210 T N -0.266 114.305 114.554 0.028 0.000 3.007 210 T HA 0.001 4.352 4.350 0.001 0.000 0.270 210 T C 1.358 176.041 174.700 -0.029 0.000 1.107 210 T CA 0.884 63.007 62.100 0.039 0.000 1.118 210 T CB -0.231 68.685 68.868 0.080 0.000 0.889 210 T HN 0.428 nan 8.240 nan 0.000 0.506 211 G N 1.337 110.127 108.800 -0.017 0.000 2.221 211 G HA2 0.013 3.973 3.960 0.001 0.000 0.265 211 G HA3 0.013 3.973 3.960 0.001 0.000 0.265 211 G C 0.046 174.965 174.900 0.032 0.000 1.041 211 G CA 0.077 45.175 45.100 -0.003 0.000 0.807 211 G HN 0.994 nan 8.290 nan 0.000 0.502 212 A N -1.510 121.312 122.820 0.004 0.000 2.479 212 A HA 0.949 5.269 4.320 0.001 0.000 0.296 212 A C -0.427 177.175 177.584 0.030 0.000 1.121 212 A CA -0.263 51.797 52.037 0.038 0.000 0.743 212 A CB 2.197 21.216 19.000 0.032 0.000 1.323 212 A HN 1.285 nan 8.150 nan 0.000 0.415 213 V N 0.938 120.890 119.914 0.063 0.000 2.540 213 V HA 0.525 4.645 4.120 0.001 0.000 0.302 213 V C -0.453 175.665 176.094 0.041 0.000 1.035 213 V CA -0.481 61.852 62.300 0.057 0.000 0.873 213 V CB 1.451 33.330 31.823 0.092 0.000 0.992 213 V HN 0.924 nan 8.190 nan 0.000 0.428 214 E N 4.523 124.738 120.200 0.026 0.000 2.248 214 E HA 0.756 5.106 4.350 0.001 0.000 0.267 214 E C -1.554 175.046 176.600 0.001 0.000 0.877 214 E CA -0.729 55.679 56.400 0.013 0.000 0.759 214 E CB 2.957 32.666 29.700 0.015 0.000 1.182 214 E HN 0.473 nan 8.360 nan 0.000 0.418 215 L N 2.261 123.478 121.223 -0.010 0.000 2.464 215 L HA 0.358 4.698 4.340 0.001 0.000 0.266 215 L C -0.618 176.237 176.870 -0.024 0.000 0.965 215 L CA -0.933 53.896 54.840 -0.019 0.000 0.833 215 L CB 2.066 44.108 42.059 -0.029 0.000 1.296 215 L HN 0.358 nan 8.230 nan 0.000 0.405 216 E N 1.298 121.481 120.200 -0.027 0.000 2.231 216 E HA 0.277 4.627 4.350 0.001 0.000 0.277 216 E C 0.648 177.215 176.600 -0.056 0.000 0.999 216 E CA 0.258 56.636 56.400 -0.036 0.000 0.827 216 E CB 1.678 31.360 29.700 -0.030 0.000 1.101 216 E HN 0.711 nan 8.360 nan 0.000 0.393 217 S N 0.020 115.677 115.700 -0.072 0.000 3.380 217 S HA -0.136 4.335 4.470 0.001 0.000 0.300 217 S C -1.860 172.636 174.600 -0.174 0.000 1.255 217 S CA 0.581 58.711 58.200 -0.116 0.000 0.963 217 S CB -2.078 61.051 63.200 -0.118 0.000 1.106 217 S HN 0.460 nan 8.310 nan 0.000 0.629 218 P HA 0.436 nan 4.420 nan 0.000 0.274 218 P C 0.306 177.521 177.300 -0.141 0.000 1.237 218 P CA -0.470 62.570 63.100 -0.100 0.000 0.793 218 P CB 0.275 31.959 31.700 -0.028 0.000 0.977 219 F N 0.599 120.541 119.950 -0.013 0.000 2.406 219 F HA 0.330 4.857 4.527 0.001 0.000 0.327 219 F C 1.069 176.863 175.800 -0.009 0.000 1.153 219 F CA -0.064 57.930 58.000 -0.009 0.000 1.218 219 F CB 0.456 39.451 39.000 -0.009 0.000 1.215 219 F HN 0.045 nan 8.300 nan 0.000 0.570 220 I N 3.863 124.571 120.570 0.231 0.000 2.499 220 I HA 0.227 4.397 4.170 0.001 0.000 0.288 220 I C -1.383 174.792 176.117 0.097 0.000 1.048 220 I CA -0.729 60.645 61.300 0.124 0.000 1.062 220 I CB 1.971 40.030 38.000 0.098 0.000 1.238 220 I HN 0.260 nan 8.210 nan 0.000 0.426 221 L N 7.611 128.871 121.223 0.062 0.000 2.296 221 L HA 0.592 4.932 4.340 0.001 0.000 0.286 221 L C -1.159 175.732 176.870 0.036 0.000 1.023 221 L CA -0.506 54.355 54.840 0.035 0.000 0.812 221 L CB 1.482 43.550 42.059 0.015 0.000 1.223 221 L HN 0.560 nan 8.230 nan 0.000 0.421 222 L N 5.376 126.617 121.223 0.029 0.000 2.298 222 L HA 0.666 5.007 4.340 0.001 0.000 0.284 222 L C -0.057 176.821 176.870 0.013 0.000 1.013 222 L CA -0.437 54.417 54.840 0.023 0.000 0.824 222 L CB 1.609 43.681 42.059 0.022 0.000 1.221 222 L HN 0.717 nan 8.230 nan 0.000 0.418 223 A N 1.367 124.194 122.820 0.012 0.000 2.343 223 A HA 0.367 4.687 4.320 0.001 0.000 0.316 223 A C 0.032 177.619 177.584 0.004 0.000 1.104 223 A CA -0.492 51.551 52.037 0.009 0.000 0.768 223 A CB 1.373 20.382 19.000 0.015 0.000 1.213 223 A HN 0.743 nan 8.150 nan 0.000 0.456 224 D N 1.003 121.404 120.400 0.001 0.000 2.363 224 D HA 0.050 4.690 4.640 0.001 0.000 0.226 224 D C 0.639 176.940 176.300 0.003 0.000 1.020 224 D CA 1.037 55.036 54.000 -0.002 0.000 0.892 224 D CB -0.008 40.790 40.800 -0.004 0.000 0.900 224 D HN 0.679 nan 8.370 nan 0.000 0.531 225 K N -1.777 118.628 120.400 0.009 0.000 2.213 225 K HA 0.532 4.853 4.320 0.001 0.000 0.254 225 K C -0.964 175.648 176.600 0.020 0.000 1.062 225 K CA -1.130 55.165 56.287 0.014 0.000 0.884 225 K CB 0.763 33.270 32.500 0.012 0.000 1.437 225 K HN -0.362 nan 8.250 nan 0.000 0.464 226 K N 1.099 121.513 120.400 0.024 0.000 2.234 226 K HA 0.314 4.634 4.320 0.001 0.000 0.282 226 K C -0.324 176.294 176.600 0.029 0.000 1.039 226 K CA -0.531 55.774 56.287 0.030 0.000 0.928 226 K CB 0.500 33.018 32.500 0.030 0.000 1.039 226 K HN 0.390 nan 8.250 nan 0.000 0.470 227 I N 2.805 123.397 120.570 0.035 0.000 2.556 227 I HA -0.063 4.107 4.170 0.001 0.000 0.284 227 I C 1.330 177.466 176.117 0.032 0.000 1.114 227 I CA 0.512 61.832 61.300 0.033 0.000 1.418 227 I CB 0.574 38.599 38.000 0.042 0.000 1.394 227 I HN 0.853 nan 8.210 nan 0.000 0.552 228 S N 4.671 120.386 115.700 0.024 0.000 2.506 228 S HA 0.097 4.568 4.470 0.001 0.000 0.230 228 S C 0.578 175.190 174.600 0.019 0.000 1.066 228 S CA -0.222 57.991 58.200 0.021 0.000 0.940 228 S CB 0.473 63.682 63.200 0.016 0.000 0.818 228 S HN 0.794 nan 8.310 nan 0.000 0.518 229 N N 0.217 118.927 118.700 0.018 0.000 2.367 229 N HA 0.197 4.937 4.740 0.001 0.000 0.278 229 N C 0.051 175.570 175.510 0.014 0.000 1.117 229 N CA -0.325 52.734 53.050 0.014 0.000 0.867 229 N CB 1.679 40.172 38.487 0.009 0.000 1.649 229 N HN 0.085 nan 8.380 nan 0.000 0.479 230 I N 1.631 122.209 120.570 0.013 0.000 2.700 230 I HA -0.038 4.133 4.170 0.001 0.000 0.261 230 I C 2.313 178.434 176.117 0.006 0.000 1.219 230 I CA 0.915 62.222 61.300 0.012 0.000 1.463 230 I CB -0.629 37.378 38.000 0.011 0.000 1.092 230 I HN 0.570 nan 8.210 nan 0.000 0.452 231 R N 1.350 121.853 120.500 0.004 0.000 2.152 231 R HA -0.098 4.242 4.340 0.001 0.000 0.232 231 R C 1.635 177.935 176.300 -0.001 0.000 1.117 231 R CA 1.037 57.137 56.100 -0.000 0.000 0.981 231 R CB -0.150 30.150 30.300 -0.001 0.000 0.870 231 R HN 0.543 nan 8.270 nan 0.000 0.451 232 E N -0.660 119.542 120.200 0.003 0.000 2.526 232 E HA -0.148 4.202 4.350 0.001 0.000 0.198 232 E C 1.080 177.681 176.600 0.002 0.000 1.091 232 E CA 0.498 56.900 56.400 0.003 0.000 0.880 232 E CB 0.242 29.947 29.700 0.008 0.000 0.873 232 E HN 0.261 nan 8.360 nan 0.000 0.527 233 M N -0.914 118.687 119.600 0.001 0.000 2.195 233 M HA 0.130 4.611 4.480 0.001 0.000 0.243 233 M C 1.356 177.650 176.300 -0.010 0.000 1.313 233 M CA 0.270 55.569 55.300 -0.002 0.000 1.077 233 M CB 0.474 33.080 32.600 0.010 0.000 1.664 233 M HN 0.021 nan 8.290 nan 0.000 0.584 234 L N 1.460 122.678 121.223 -0.007 0.000 2.058 234 L HA -0.274 4.066 4.340 0.001 0.000 0.226 234 L C -0.740 176.118 176.870 -0.020 0.000 1.089 234 L CA 2.196 57.029 54.840 -0.011 0.000 0.799 234 L CB -2.114 39.940 42.059 -0.008 0.000 0.900 234 L HN 0.280 nan 8.230 nan 0.000 0.442 235 P HA -0.142 nan 4.420 nan 0.000 0.214 235 P C 1.760 179.029 177.300 -0.051 0.000 1.162 235 P CA 2.269 65.349 63.100 -0.034 0.000 0.879 235 P CB -0.281 31.400 31.700 -0.033 0.000 0.786 236 V N -2.511 117.368 119.914 -0.058 0.000 2.548 236 V HA -0.145 3.975 4.120 0.001 0.000 0.249 236 V C 2.572 178.617 176.094 -0.081 0.000 1.055 236 V CA 1.237 63.484 62.300 -0.090 0.000 1.065 236 V CB -1.979 29.790 31.823 -0.090 0.000 0.681 236 V HN -0.091 nan 8.190 nan 0.000 0.462 237 L N 0.942 122.138 121.223 -0.045 0.000 2.012 237 L HA -0.136 4.204 4.340 0.001 0.000 0.210 237 L C 2.608 179.462 176.870 -0.026 0.000 1.073 237 L CA 2.583 57.407 54.840 -0.027 0.000 0.748 237 L CB -0.759 41.294 42.059 -0.010 0.000 0.891 237 L HN 0.505 nan 8.230 nan 0.000 0.431 238 E N -1.103 119.080 120.200 -0.028 0.000 2.152 238 E HA -0.155 4.195 4.350 0.001 0.000 0.192 238 E C 2.091 178.670 176.600 -0.035 0.000 0.983 238 E CA 0.799 57.184 56.400 -0.024 0.000 0.818 238 E CB -0.082 29.607 29.700 -0.020 0.000 0.758 238 E HN 0.624 nan 8.360 nan 0.000 0.467 239 A N 0.790 123.573 122.820 -0.062 0.000 1.877 239 A HA -0.162 4.159 4.320 0.001 0.000 0.216 239 A C 2.414 179.934 177.584 -0.107 0.000 1.186 239 A CA 1.734 53.717 52.037 -0.092 0.000 0.620 239 A CB -0.934 17.986 19.000 -0.134 0.000 0.822 239 A HN 0.296 nan 8.150 nan 0.000 0.443 240 V N -2.361 117.478 119.914 -0.126 0.000 2.515 240 V HA -0.041 4.080 4.120 0.001 0.000 0.250 240 V C 2.488 178.616 176.094 0.058 0.000 1.058 240 V CA 1.801 64.068 62.300 -0.054 0.000 1.064 240 V CB -1.481 30.337 31.823 -0.008 0.000 0.675 240 V HN 0.508 nan 8.190 nan 0.000 0.461 241 A N 0.769 123.604 122.820 0.023 0.000 1.873 241 A HA -0.138 4.183 4.320 0.001 0.000 0.215 241 A C 2.323 179.926 177.584 0.032 0.000 1.186 241 A CA 2.010 54.065 52.037 0.031 0.000 0.616 241 A CB -0.579 18.430 19.000 0.015 0.000 0.823 241 A HN 0.583 nan 8.150 nan 0.000 0.442 242 K N -0.292 120.118 120.400 0.016 0.000 2.209 242 K HA 0.003 4.323 4.320 0.001 0.000 0.204 242 K C 1.890 178.513 176.600 0.038 0.000 1.048 242 K CA 0.931 57.229 56.287 0.017 0.000 0.940 242 K CB -0.218 32.282 32.500 0.001 0.000 0.729 242 K HN 0.442 nan 8.250 nan 0.000 0.451 243 A N 0.297 123.155 122.820 0.064 0.000 2.208 243 A HA 0.164 4.485 4.320 0.001 0.000 0.209 243 A C 1.423 179.094 177.584 0.145 0.000 1.161 243 A CA 0.861 52.978 52.037 0.133 0.000 0.782 243 A CB -0.237 18.899 19.000 0.227 0.000 0.816 243 A HN 0.394 nan 8.150 nan 0.000 0.477 244 G N -1.088 107.775 108.800 0.106 0.000 2.141 244 G HA2 -0.224 3.737 3.960 0.001 0.000 0.242 244 G HA3 -0.224 3.737 3.960 0.001 0.000 0.242 244 G C 0.103 175.048 174.900 0.075 0.000 0.982 244 G CA 0.584 45.728 45.100 0.073 0.000 0.662 244 G HN 0.565 nan 8.290 nan 0.000 0.527 245 K N 0.480 120.958 120.400 0.130 0.000 2.340 245 K HA 0.602 4.923 4.320 0.001 0.000 0.244 245 K C -2.316 174.358 176.600 0.123 0.000 0.973 245 K CA -1.937 54.417 56.287 0.111 0.000 0.828 245 K CB 2.755 35.322 32.500 0.112 0.000 1.226 245 K HN 0.052 nan 8.250 nan 0.000 0.437 246 P HA 0.226 nan 4.420 nan 0.000 0.277 246 P C -1.205 176.154 177.300 0.098 0.000 1.271 246 P CA -0.541 62.591 63.100 0.054 0.000 0.795 246 P CB 0.816 32.521 31.700 0.008 0.000 1.101 247 L N 1.037 122.290 121.223 0.049 0.000 2.493 247 L HA 0.410 4.750 4.340 0.001 0.000 0.265 247 L C -1.769 175.088 176.870 -0.022 0.000 0.954 247 L CA -0.899 53.978 54.840 0.063 0.000 0.844 247 L CB 1.913 44.008 42.059 0.060 0.000 1.302 247 L HN 0.292 nan 8.230 nan 0.000 0.405 248 L N 6.367 127.590 121.223 -0.001 0.000 2.305 248 L HA 0.515 4.856 4.340 0.001 0.000 0.284 248 L C -0.633 176.239 176.870 0.004 0.000 1.013 248 L CA -0.449 54.370 54.840 -0.035 0.000 0.819 248 L CB 1.582 43.634 42.059 -0.012 0.000 1.227 248 L HN 0.606 nan 8.230 nan 0.000 0.417 249 I N 6.217 126.779 120.570 -0.012 0.000 2.352 249 I HA 0.272 4.442 4.170 0.001 0.000 0.290 249 I C 0.105 176.261 176.117 0.065 0.000 1.036 249 I CA -0.173 61.144 61.300 0.028 0.000 1.336 249 I CB 1.056 39.075 38.000 0.031 0.000 1.407 249 I HN 0.439 nan 8.210 nan 0.000 0.497 250 I N 6.583 127.197 120.570 0.073 0.000 2.371 250 I HA 0.556 4.726 4.170 0.001 0.000 0.282 250 I C 0.271 176.416 176.117 0.046 0.000 1.031 250 I CA -0.126 61.224 61.300 0.083 0.000 1.180 250 I CB 1.063 39.121 38.000 0.096 0.000 1.336 250 I HN 0.660 nan 8.210 nan 0.000 0.467 251 A N 4.864 127.714 122.820 0.049 0.000 2.389 251 A HA 0.535 4.856 4.320 0.001 0.000 0.293 251 A C 0.801 178.401 177.584 0.027 0.000 1.186 251 A CA -0.511 51.547 52.037 0.034 0.000 0.828 251 A CB 1.076 20.103 19.000 0.045 0.000 1.369 251 A HN 0.690 nan 8.150 nan 0.000 0.446 252 E N -0.552 119.662 120.200 0.023 0.000 2.110 252 E HA -0.074 4.277 4.350 0.001 0.000 0.193 252 E C -0.408 176.217 176.600 0.041 0.000 0.988 252 E CA 1.468 57.884 56.400 0.027 0.000 0.804 252 E CB 0.137 29.855 29.700 0.028 0.000 0.745 252 E HN 0.582 nan 8.360 nan 0.000 0.458 253 D N -2.004 118.425 120.400 0.048 0.000 2.725 253 D HA 0.169 4.809 4.640 0.001 0.000 0.292 253 D C -1.878 174.462 176.300 0.066 0.000 1.288 253 D CA -0.532 53.504 54.000 0.059 0.000 0.784 253 D CB 1.843 42.672 40.800 0.048 0.000 1.308 253 D HN -0.234 nan 8.370 nan 0.000 0.429 254 V N 1.764 121.725 119.914 0.080 0.000 2.443 254 V HA 0.434 4.554 4.120 0.001 0.000 0.293 254 V C -0.057 176.078 176.094 0.068 0.000 1.021 254 V CA -0.710 61.639 62.300 0.082 0.000 0.848 254 V CB 1.474 33.368 31.823 0.119 0.000 0.998 254 V HN 0.484 nan 8.190 nan 0.000 0.424 255 E N 2.754 122.985 120.200 0.052 0.000 2.349 255 E HA 0.473 4.824 4.350 0.001 0.000 0.262 255 E C 1.407 178.029 176.600 0.037 0.000 1.088 255 E CA 0.718 57.142 56.400 0.040 0.000 0.899 255 E CB 1.533 31.251 29.700 0.030 0.000 1.044 255 E HN 0.628 nan 8.360 nan 0.000 0.420 256 G N 1.796 110.613 108.800 0.029 0.000 2.462 256 G HA2 -0.306 3.655 3.960 0.001 0.000 0.220 256 G HA3 -0.306 3.655 3.960 0.001 0.000 0.220 256 G C 1.202 176.113 174.900 0.019 0.000 1.121 256 G CA 0.907 46.022 45.100 0.024 0.000 0.758 256 G HN 0.619 nan 8.290 nan 0.000 0.559 257 E N 0.554 120.764 120.200 0.017 0.000 2.016 257 E HA -0.035 4.315 4.350 0.001 0.000 0.190 257 E C 2.879 179.490 176.600 0.018 0.000 0.985 257 E CA 0.917 57.325 56.400 0.012 0.000 0.802 257 E CB -0.243 29.463 29.700 0.011 0.000 0.762 257 E HN 0.290 nan 8.360 nan 0.000 0.448 258 A N 1.784 124.621 122.820 0.028 0.000 1.940 258 A HA -0.168 4.153 4.320 0.001 0.000 0.219 258 A C 2.283 179.901 177.584 0.057 0.000 1.176 258 A CA 1.142 53.203 52.037 0.040 0.000 0.631 258 A CB -0.743 18.284 19.000 0.045 0.000 0.814 258 A HN 0.409 nan 8.150 nan 0.000 0.446 259 L N -0.753 120.505 121.223 0.058 0.000 1.976 259 L HA -0.193 4.147 4.340 0.001 0.000 0.209 259 L C 2.968 179.853 176.870 0.026 0.000 1.071 259 L CA 1.583 56.462 54.840 0.064 0.000 0.746 259 L CB -0.466 41.626 42.059 0.056 0.000 0.890 259 L HN 0.414 nan 8.230 nan 0.000 0.432 260 A N -0.550 122.272 122.820 0.002 0.000 1.902 260 A HA -0.241 4.080 4.320 0.001 0.000 0.217 260 A C 2.299 179.857 177.584 -0.043 0.000 1.181 260 A CA 2.397 54.414 52.037 -0.034 0.000 0.623 260 A CB -1.144 17.840 19.000 -0.026 0.000 0.818 260 A HN 0.639 nan 8.150 nan 0.000 0.443 261 T N -1.327 113.218 114.554 -0.015 0.000 2.777 261 T HA -0.036 4.314 4.350 0.001 0.000 0.266 261 T C 1.814 176.515 174.700 0.001 0.000 1.040 261 T CA 1.380 63.473 62.100 -0.012 0.000 1.141 261 T CB -0.558 68.309 68.868 -0.001 0.000 0.868 261 T HN 0.288 nan 8.240 nan 0.000 0.444 262 L N 0.660 121.904 121.223 0.036 0.000 2.141 262 L HA -0.000 4.340 4.340 0.001 0.000 0.209 262 L C 2.907 179.825 176.870 0.079 0.000 1.094 262 L CA 0.485 55.374 54.840 0.082 0.000 0.763 262 L CB -0.640 41.508 42.059 0.149 0.000 0.908 262 L HN 0.163 nan 8.230 nan 0.000 0.437 263 V N -0.440 119.473 119.914 -0.001 0.000 2.255 263 V HA -0.271 3.849 4.120 0.001 0.000 0.247 263 V C 2.451 178.433 176.094 -0.187 0.000 1.051 263 V CA 1.705 63.919 62.300 -0.143 0.000 1.018 263 V CB -0.218 31.439 31.823 -0.277 0.000 0.641 263 V HN 0.189 nan 8.190 nan 0.000 0.445 264 V N 0.559 120.384 119.914 -0.149 0.000 2.392 264 V HA -0.261 3.859 4.120 0.001 0.000 0.249 264 V C 2.339 178.391 176.094 -0.069 0.000 1.059 264 V CA 2.230 64.455 62.300 -0.124 0.000 1.051 264 V CB -0.843 30.926 31.823 -0.090 0.000 0.658 264 V HN 0.615 nan 8.190 nan 0.000 0.455 265 N N 0.055 118.738 118.700 -0.030 0.000 2.331 265 N HA -0.122 4.618 4.740 0.001 0.000 0.180 265 N C 1.873 177.391 175.510 0.014 0.000 1.019 265 N CA 1.908 54.956 53.050 -0.002 0.000 0.881 265 N CB 0.183 38.679 38.487 0.016 0.000 0.972 265 N HN 0.738 nan 8.380 nan 0.000 0.435 266 T N -0.895 113.677 114.554 0.029 0.000 2.898 266 T HA 0.041 4.391 4.350 0.001 0.000 0.241 266 T C 1.329 176.049 174.700 0.034 0.000 1.024 266 T CA 0.024 62.166 62.100 0.070 0.000 1.174 266 T CB -0.488 68.490 68.868 0.183 0.000 0.873 266 T HN 0.196 nan 8.240 nan 0.000 0.422 267 M N 1.652 121.242 119.600 -0.016 0.000 2.522 267 M HA 0.459 4.940 4.480 0.001 0.000 0.333 267 M C 0.452 176.737 176.300 -0.026 0.000 1.632 267 M CA -0.179 55.113 55.300 -0.013 0.000 1.293 267 M CB -0.003 32.547 32.600 -0.084 0.000 1.857 267 M HN 0.148 nan 8.290 nan 0.000 0.456 268 R N 1.503 122.003 120.500 -0.001 0.000 3.989 268 R HA -0.144 4.196 4.340 0.001 0.000 0.377 268 R C 0.295 176.588 176.300 -0.012 0.000 1.158 268 R CA 1.096 57.191 56.100 -0.009 0.000 1.035 268 R CB -2.018 28.271 30.300 -0.019 0.000 1.557 268 R HN 1.113 nan 8.270 nan 0.000 0.551 269 G N -0.522 108.273 108.800 -0.008 0.000 3.329 269 G HA2 0.544 4.504 3.960 0.001 0.000 0.180 269 G HA3 0.544 4.504 3.960 0.001 0.000 0.180 269 G C 1.245 176.146 174.900 0.002 0.000 1.640 269 G CA 0.224 45.319 45.100 -0.008 0.000 1.018 269 G HN 0.102 nan 8.290 nan 0.000 0.581 270 I N -1.105 119.469 120.570 0.007 0.000 4.083 270 I HA 0.190 4.360 4.170 0.001 0.000 0.240 270 I C -0.074 176.054 176.117 0.018 0.000 1.088 270 I CA 0.066 61.372 61.300 0.010 0.000 1.651 270 I CB 0.131 38.135 38.000 0.006 0.000 1.573 270 I HN -0.080 nan 8.210 nan 0.000 0.451 271 V N 3.003 122.929 119.914 0.021 0.000 2.389 271 V HA 0.115 4.235 4.120 0.001 0.000 0.264 271 V C 0.420 176.533 176.094 0.033 0.000 1.049 271 V CA -0.370 61.945 62.300 0.024 0.000 0.932 271 V CB 0.561 32.396 31.823 0.020 0.000 1.011 271 V HN 0.269 nan 8.190 nan 0.000 0.475 272 K N 4.870 125.287 120.400 0.029 0.000 2.737 272 K HA 0.221 4.541 4.320 0.001 0.000 0.251 272 K C 0.121 176.717 176.600 -0.005 0.000 1.280 272 K CA -0.304 56.001 56.287 0.031 0.000 1.219 272 K CB -0.045 32.472 32.500 0.028 0.000 1.587 272 K HN 0.743 nan 8.250 nan 0.000 0.279 273 V N -0.984 118.917 119.914 -0.021 0.000 3.264 273 V HA 0.743 4.863 4.120 0.001 0.000 0.304 273 V C 0.103 175.955 176.094 -0.403 0.000 1.086 273 V CA -0.518 61.708 62.300 -0.123 0.000 1.090 273 V CB 1.317 33.096 31.823 -0.073 0.000 1.112 273 V HN 0.413 nan 8.190 nan 0.000 0.472 274 A N 1.665 124.106 122.820 -0.631 0.000 2.569 274 A HA 1.063 5.384 4.320 0.001 0.000 0.290 274 A C -0.383 176.734 177.584 -0.778 0.000 1.136 274 A CA -0.458 50.756 52.037 -1.372 0.000 0.710 274 A CB 1.609 20.143 19.000 -0.777 0.000 1.303 274 A HN 2.553 nan 8.150 nan 0.000 0.413 275 A N -0.588 121.884 122.820 -0.580 0.000 2.589 275 A HA 0.802 5.122 4.320 0.001 0.000 0.296 275 A C -0.776 176.928 177.584 0.201 0.000 1.062 275 A CA 0.076 52.111 52.037 -0.003 0.000 0.686 275 A CB 1.062 20.163 19.000 0.170 0.000 1.282 275 A HN 2.389 nan 8.150 nan 0.000 0.404 276 V N -1.364 118.657 119.914 0.177 0.000 3.159 276 V HA 0.694 4.814 4.120 0.001 0.000 0.308 276 V C -0.740 175.464 176.094 0.184 0.000 1.190 276 V CA -1.280 61.148 62.300 0.213 0.000 1.037 276 V CB 1.743 33.717 31.823 0.252 0.000 1.060 276 V HN 0.875 nan 8.190 nan 0.000 0.437 277 K N 1.741 122.246 120.400 0.174 0.000 2.185 277 K HA 0.737 5.057 4.320 0.001 0.000 0.271 277 K C 0.336 176.966 176.600 0.049 0.000 1.013 277 K CA 0.133 56.484 56.287 0.106 0.000 0.943 277 K CB 1.667 34.216 32.500 0.082 0.000 0.998 277 K HN 1.124 nan 8.250 nan 0.000 0.468 278 A N 3.947 126.731 122.820 -0.060 0.000 2.448 278 A HA 0.206 4.526 4.320 0.001 0.000 0.239 278 A C -1.963 175.419 177.584 -0.336 0.000 1.080 278 A CA -0.901 50.987 52.037 -0.248 0.000 0.779 278 A CB -0.498 18.418 19.000 -0.139 0.000 1.026 278 A HN 0.495 nan 8.150 nan 0.000 0.499 279 P HA 0.448 nan 4.420 nan 0.000 0.274 279 P C 0.751 177.983 177.300 -0.114 0.000 1.237 279 P CA 1.183 64.075 63.100 -0.348 0.000 0.793 279 P CB 0.804 32.238 31.700 -0.444 0.000 0.977 280 G N 1.257 110.067 108.800 0.016 0.000 2.498 280 G HA2 -0.009 3.952 3.960 0.001 0.000 0.251 280 G HA3 -0.009 3.952 3.960 0.001 0.000 0.251 280 G C -0.779 174.298 174.900 0.295 0.000 1.170 280 G CA 0.201 45.369 45.100 0.113 0.000 0.944 280 G HN 0.892 nan 8.290 nan 0.000 0.567 281 F N -2.979 116.962 119.950 -0.014 0.000 2.780 281 F HA 0.602 5.130 4.527 0.001 0.000 0.320 281 F C 0.796 176.591 175.800 -0.009 0.000 1.118 281 F CA 0.631 58.623 58.000 -0.012 0.000 0.964 281 F CB 0.353 39.351 39.000 -0.003 0.000 1.249 281 F HN 2.573 nan 8.300 nan 0.000 0.455 282 G N 2.533 111.326 108.800 -0.013 0.000 2.574 282 G HA2 -0.368 3.593 3.960 0.001 0.000 0.286 282 G HA3 -0.368 3.593 3.960 0.001 0.000 0.286 282 G C 0.302 175.114 174.900 -0.146 0.000 1.212 282 G CA 0.850 45.886 45.100 -0.105 0.000 0.979 282 G HN 1.111 nan 8.290 nan 0.000 0.557 283 D N 0.564 120.861 120.400 -0.172 0.000 2.265 283 D HA 0.017 4.657 4.640 0.001 0.000 0.208 283 D C 2.503 178.726 176.300 -0.128 0.000 0.977 283 D CA 1.329 55.253 54.000 -0.126 0.000 0.871 283 D CB -0.045 40.686 40.800 -0.115 0.000 0.925 283 D HN 0.323 nan 8.370 nan 0.000 0.485 284 R N 0.685 121.075 120.500 -0.184 0.000 2.127 284 R HA -0.126 4.214 4.340 0.001 0.000 0.238 284 R C 2.049 178.292 176.300 -0.095 0.000 1.134 284 R CA 1.075 57.092 56.100 -0.139 0.000 0.975 284 R CB -0.478 29.721 30.300 -0.168 0.000 0.865 284 R HN 0.383 nan 8.270 nan 0.000 0.447 285 R N 0.839 121.288 120.500 -0.086 0.000 2.105 285 R HA -0.100 4.241 4.340 0.001 0.000 0.239 285 R C 1.145 177.414 176.300 -0.052 0.000 1.135 285 R CA 1.366 57.428 56.100 -0.063 0.000 0.967 285 R CB -0.316 29.958 30.300 -0.043 0.000 0.861 285 R HN 0.024 nan 8.270 nan 0.000 0.442 286 K N 0.494 120.864 120.400 -0.050 0.000 2.280 286 K HA -0.042 4.278 4.320 0.001 0.000 0.202 286 K C 1.868 178.447 176.600 -0.035 0.000 1.047 286 K CA 1.415 57.679 56.287 -0.039 0.000 0.942 286 K CB -0.044 32.433 32.500 -0.039 0.000 0.739 286 K HN 0.425 nan 8.250 nan 0.000 0.457 287 A N 0.799 123.594 122.820 -0.041 0.000 1.944 287 A HA 0.126 4.447 4.320 0.001 0.000 0.209 287 A C 2.151 179.714 177.584 -0.035 0.000 1.328 287 A CA 0.183 52.200 52.037 -0.034 0.000 0.693 287 A CB -0.195 18.784 19.000 -0.035 0.000 0.994 287 A HN 0.075 nan 8.150 nan 0.000 0.485 288 M N -0.664 118.907 119.600 -0.048 0.000 2.296 288 M HA -0.016 4.464 4.480 0.001 0.000 0.265 288 M C 1.987 178.251 176.300 -0.060 0.000 1.064 288 M CA 0.939 56.206 55.300 -0.055 0.000 1.109 288 M CB -0.232 32.321 32.600 -0.078 0.000 1.396 288 M HN 0.396 nan 8.290 nan 0.000 0.430 289 L N 0.284 121.472 121.223 -0.058 0.000 2.156 289 L HA -0.145 4.196 4.340 0.001 0.000 0.208 289 L C 2.446 179.305 176.870 -0.019 0.000 1.095 289 L CA 1.701 56.514 54.840 -0.046 0.000 0.770 289 L CB -0.418 41.616 42.059 -0.042 0.000 0.914 289 L HN 0.213 nan 8.230 nan 0.000 0.439 290 Q N -0.563 119.227 119.800 -0.017 0.000 2.187 290 Q HA -0.153 4.188 4.340 0.001 0.000 0.199 290 Q C 1.670 177.669 176.000 -0.000 0.000 0.957 290 Q CA 1.456 57.255 55.803 -0.006 0.000 0.857 290 Q CB -0.126 28.607 28.738 -0.008 0.000 0.929 290 Q HN 0.480 nan 8.270 nan 0.000 0.453 291 D N -0.025 120.373 120.400 -0.004 0.000 2.123 291 D HA -0.166 4.474 4.640 0.001 0.000 0.196 291 D C 1.759 178.070 176.300 0.018 0.000 0.992 291 D CA 1.348 55.351 54.000 0.005 0.000 0.833 291 D CB -0.145 40.657 40.800 0.002 0.000 0.954 291 D HN 0.375 nan 8.370 nan 0.000 0.455 292 I N 1.124 121.706 120.570 0.020 0.000 2.252 292 I HA -0.210 3.960 4.170 0.001 0.000 0.245 292 I C 2.507 178.647 176.117 0.038 0.000 1.102 292 I CA 0.873 62.198 61.300 0.042 0.000 1.385 292 I CB -0.215 37.814 38.000 0.049 0.000 1.064 292 I HN -0.085 nan 8.210 nan 0.000 0.414 293 A N 0.519 123.354 122.820 0.026 0.000 1.940 293 A HA -0.211 4.109 4.320 0.001 0.000 0.219 293 A C 2.382 179.981 177.584 0.025 0.000 1.176 293 A CA 2.498 54.551 52.037 0.026 0.000 0.631 293 A CB -1.093 17.918 19.000 0.017 0.000 0.814 293 A HN 0.397 nan 8.150 nan 0.000 0.446 294 T N -0.035 114.531 114.554 0.020 0.000 2.777 294 T HA -0.121 4.229 4.350 0.001 0.000 0.266 294 T C 1.801 176.514 174.700 0.021 0.000 1.040 294 T CA 1.471 63.582 62.100 0.018 0.000 1.141 294 T CB -0.340 68.536 68.868 0.013 0.000 0.868 294 T HN 0.311 nan 8.240 nan 0.000 0.444 295 L N 1.787 123.026 121.223 0.026 0.000 2.141 295 L HA -0.017 4.323 4.340 0.001 0.000 0.209 295 L C 2.369 179.257 176.870 0.030 0.000 1.094 295 L CA 1.901 56.758 54.840 0.029 0.000 0.763 295 L CB -0.798 41.284 42.059 0.038 0.000 0.908 295 L HN 0.441 nan 8.230 nan 0.000 0.437 296 T N -4.910 109.665 114.554 0.036 0.000 2.990 296 T HA 0.371 4.721 4.350 0.001 0.000 0.250 296 T C 1.275 175.999 174.700 0.041 0.000 1.041 296 T CA 0.249 62.372 62.100 0.039 0.000 1.010 296 T CB 0.056 68.956 68.868 0.052 0.000 1.003 296 T HN 0.546 nan 8.240 nan 0.000 0.499 297 G N 0.570 109.393 108.800 0.038 0.000 2.248 297 G HA2 0.200 4.160 3.960 0.001 0.000 0.252 297 G HA3 0.200 4.160 3.960 0.001 0.000 0.252 297 G C 0.214 175.144 174.900 0.051 0.000 1.085 297 G CA -0.225 44.899 45.100 0.040 0.000 0.845 297 G HN 1.048 nan 8.290 nan 0.000 0.494 298 G N -1.609 107.219 108.800 0.046 0.000 3.042 298 G HA2 0.855 4.815 3.960 0.001 0.000 0.278 298 G HA3 0.855 4.815 3.960 0.001 0.000 0.278 298 G C -0.439 174.478 174.900 0.028 0.000 1.371 298 G CA 0.188 45.314 45.100 0.045 0.000 1.009 298 G HN 0.640 nan 8.290 nan 0.000 0.523 299 T N 0.214 114.781 114.554 0.021 0.000 2.895 299 T HA 0.479 4.829 4.350 0.001 0.000 0.283 299 T C 0.231 174.937 174.700 0.010 0.000 1.014 299 T CA -0.315 61.793 62.100 0.012 0.000 1.037 299 T CB 1.545 70.416 68.868 0.006 0.000 1.006 299 T HN 0.954 nan 8.240 nan 0.000 0.468 300 V N 1.332 121.250 119.914 0.006 0.000 2.372 300 V HA 0.462 4.582 4.120 0.001 0.000 0.261 300 V C -0.099 175.996 176.094 0.000 0.000 1.055 300 V CA -0.771 61.530 62.300 0.002 0.000 0.930 300 V CB -0.761 31.061 31.823 -0.002 0.000 1.031 300 V HN 0.667 nan 8.190 nan 0.000 0.479 301 I N 5.142 125.713 120.570 0.001 0.000 2.494 301 I HA 0.215 4.385 4.170 0.001 0.000 0.289 301 I C 0.799 176.915 176.117 -0.001 0.000 1.106 301 I CA 1.206 62.506 61.300 -0.001 0.000 1.369 301 I CB 0.490 38.489 38.000 -0.002 0.000 1.410 301 I HN 0.705 nan 8.210 nan 0.000 0.523 302 S N 6.170 121.869 115.700 -0.002 0.000 2.640 302 S HA 0.264 4.734 4.470 0.001 0.000 0.320 302 S C 0.903 175.502 174.600 -0.002 0.000 1.097 302 S CA -0.738 57.461 58.200 -0.003 0.000 1.092 302 S CB 1.308 64.505 63.200 -0.005 0.000 0.988 302 S HN 0.504 nan 8.310 nan 0.000 0.470 303 E N 2.502 122.701 120.200 -0.001 0.000 2.110 303 E HA -0.176 4.174 4.350 0.001 0.000 0.193 303 E C 1.021 177.620 176.600 -0.002 0.000 0.988 303 E CA 1.184 57.584 56.400 -0.001 0.000 0.804 303 E CB 0.037 29.738 29.700 0.001 0.000 0.745 303 E HN 0.722 nan 8.360 nan 0.000 0.458 304 E N 0.115 120.313 120.200 -0.003 0.000 2.478 304 E HA -0.036 4.314 4.350 0.001 0.000 0.198 304 E C 1.904 178.502 176.600 -0.005 0.000 1.046 304 E CA 0.225 56.622 56.400 -0.004 0.000 0.870 304 E CB 0.021 29.717 29.700 -0.006 0.000 0.818 304 E HN 0.301 nan 8.360 nan 0.000 0.527 305 I N -1.026 119.541 120.570 -0.004 0.000 2.731 305 I HA 0.082 4.252 4.170 0.001 0.000 0.260 305 I C 1.463 177.578 176.117 -0.003 0.000 1.138 305 I CA 0.684 61.982 61.300 -0.004 0.000 1.461 305 I CB 0.499 38.496 38.000 -0.004 0.000 1.128 305 I HN 0.201 nan 8.210 nan 0.000 0.438 306 G N 0.983 109.781 108.800 -0.003 0.000 2.155 306 G HA2 -0.126 3.834 3.960 0.001 0.000 0.130 306 G HA3 -0.126 3.834 3.960 0.001 0.000 0.130 306 G C 0.167 175.065 174.900 -0.003 0.000 1.027 306 G CA -0.532 44.567 45.100 -0.002 0.000 0.705 306 G HN 0.059 nan 8.290 nan 0.000 0.496 307 M N -0.042 119.556 119.600 -0.003 0.000 2.055 307 M HA 0.719 5.199 4.480 0.001 0.000 0.279 307 M C 0.426 176.724 176.300 -0.003 0.000 1.236 307 M CA 0.039 55.337 55.300 -0.003 0.000 1.074 307 M CB 0.959 33.556 32.600 -0.004 0.000 1.394 307 M HN 0.204 nan 8.290 nan 0.000 0.492 308 E N 0.036 120.234 120.200 -0.004 0.000 2.389 308 E HA 0.163 4.514 4.350 0.001 0.000 0.281 308 E C -1.074 175.523 176.600 -0.005 0.000 1.111 308 E CA -0.293 56.105 56.400 -0.003 0.000 0.869 308 E CB 1.178 30.877 29.700 -0.002 0.000 1.259 308 E HN 0.736 nan 8.360 nan 0.000 0.434 309 L N 1.985 123.205 121.223 -0.005 0.000 2.492 309 L HA 0.084 4.425 4.340 0.001 0.000 0.223 309 L C 1.931 178.794 176.870 -0.013 0.000 1.132 309 L CA 0.453 55.288 54.840 -0.009 0.000 0.850 309 L CB -0.060 41.995 42.059 -0.006 0.000 0.966 309 L HN 0.538 nan 8.230 nan 0.000 0.454 310 E N 0.608 120.802 120.200 -0.010 0.000 2.209 310 E HA -0.234 4.117 4.350 0.001 0.000 0.196 310 E C 1.342 177.933 176.600 -0.015 0.000 0.993 310 E CA 1.083 57.477 56.400 -0.012 0.000 0.819 310 E CB 0.093 29.788 29.700 -0.008 0.000 0.745 310 E HN 0.383 nan 8.360 nan 0.000 0.477 311 K N -0.105 120.286 120.400 -0.014 0.000 2.358 311 K HA 0.206 4.526 4.320 0.001 0.000 0.197 311 K C 0.176 176.764 176.600 -0.020 0.000 1.025 311 K CA 0.015 56.293 56.287 -0.015 0.000 1.104 311 K CB 0.986 33.480 32.500 -0.011 0.000 0.855 311 K HN -0.009 nan 8.250 nan 0.000 0.531 312 A N 0.805 123.610 122.820 -0.024 0.000 2.406 312 A HA 0.434 4.754 4.320 0.001 0.000 0.243 312 A C 0.025 177.584 177.584 -0.042 0.000 1.082 312 A CA 0.155 52.174 52.037 -0.031 0.000 0.786 312 A CB 0.312 19.292 19.000 -0.034 0.000 1.029 312 A HN 0.169 nan 8.150 nan 0.000 0.495 313 T N 0.891 115.416 114.554 -0.048 0.000 2.896 313 T HA 0.410 4.761 4.350 0.001 0.000 0.297 313 T C 0.903 175.554 174.700 -0.081 0.000 1.108 313 T CA -0.559 61.506 62.100 -0.058 0.000 1.004 313 T CB 1.138 69.983 68.868 -0.038 0.000 1.159 313 T HN 0.327 nan 8.240 nan 0.000 0.499 314 L N 1.366 122.526 121.223 -0.106 0.000 2.189 314 L HA -0.135 4.205 4.340 0.001 0.000 0.214 314 L C 2.725 179.544 176.870 -0.086 0.000 1.097 314 L CA 1.675 56.416 54.840 -0.164 0.000 0.764 314 L CB -0.906 41.059 42.059 -0.156 0.000 0.900 314 L HN 0.852 nan 8.230 nan 0.000 0.436 315 E N -0.578 119.602 120.200 -0.035 0.000 2.147 315 E HA -0.288 4.062 4.350 0.001 0.000 0.199 315 E C 1.044 177.648 176.600 0.006 0.000 1.005 315 E CA 1.768 58.168 56.400 -0.000 0.000 0.810 315 E CB -0.515 29.183 29.700 -0.002 0.000 0.736 315 E HN 0.552 nan 8.360 nan 0.000 0.460 316 D N 0.373 120.765 120.400 -0.013 0.000 2.347 316 D HA 0.040 4.680 4.640 0.001 0.000 0.215 316 D C 0.061 176.368 176.300 0.010 0.000 0.976 316 D CA 0.296 54.293 54.000 -0.004 0.000 0.884 316 D CB 0.132 40.922 40.800 -0.016 0.000 0.915 316 D HN 0.132 nan 8.370 nan 0.000 0.526 317 L N 0.866 122.095 121.223 0.010 0.000 2.331 317 L HA 0.319 4.659 4.340 0.001 0.000 0.278 317 L C 1.283 178.245 176.870 0.153 0.000 1.106 317 L CA -0.197 54.682 54.840 0.064 0.000 0.824 317 L CB 1.241 43.283 42.059 -0.028 0.000 1.142 317 L HN -0.199 nan 8.230 nan 0.000 0.443 318 G N 2.199 111.083 108.800 0.141 0.000 2.562 318 G HA2 0.580 4.540 3.960 0.001 0.000 0.275 318 G HA3 0.580 4.540 3.960 0.001 0.000 0.275 318 G C -0.733 174.257 174.900 0.150 0.000 1.196 318 G CA -0.297 44.877 45.100 0.124 0.000 0.908 318 G HN 0.564 nan 8.290 nan 0.000 0.524 319 Q N -1.572 118.268 119.800 0.067 0.000 2.501 319 Q HA 0.650 4.990 4.340 0.001 0.000 0.288 319 Q C -0.866 175.120 176.000 -0.023 0.000 1.051 319 Q CA -0.841 54.953 55.803 -0.015 0.000 0.788 319 Q CB 2.637 31.308 28.738 -0.112 0.000 1.469 319 Q HN 0.891 nan 8.270 nan 0.000 0.416 320 A N 0.373 123.161 122.820 -0.052 0.000 2.609 320 A HA 0.405 4.725 4.320 0.001 0.000 0.291 320 A C -0.421 177.128 177.584 -0.058 0.000 1.096 320 A CA -0.579 51.435 52.037 -0.038 0.000 0.684 320 A CB 1.600 20.591 19.000 -0.015 0.000 1.282 320 A HN 0.738 nan 8.150 nan 0.000 0.412 321 K N -0.511 119.862 120.400 -0.045 0.000 2.148 321 K HA 0.038 4.358 4.320 0.001 0.000 0.204 321 K C 0.552 177.127 176.600 -0.043 0.000 1.050 321 K CA 1.298 57.556 56.287 -0.047 0.000 0.942 321 K CB 0.031 32.510 32.500 -0.035 0.000 0.724 321 K HN 0.577 nan 8.250 nan 0.000 0.446 322 R N -0.762 119.717 120.500 -0.034 0.000 2.680 322 R HA 0.389 4.729 4.340 0.001 0.000 0.269 322 R C -2.032 174.252 176.300 -0.026 0.000 1.026 322 R CA -0.676 55.406 56.100 -0.029 0.000 0.889 322 R CB 2.595 32.881 30.300 -0.023 0.000 1.241 322 R HN -0.054 nan 8.270 nan 0.000 0.463 323 V N 3.117 123.016 119.914 -0.026 0.000 2.841 323 V HA 0.766 4.886 4.120 0.001 0.000 0.310 323 V C -1.300 174.780 176.094 -0.024 0.000 1.090 323 V CA -0.473 61.810 62.300 -0.029 0.000 0.930 323 V CB 2.181 33.989 31.823 -0.025 0.000 1.014 323 V HN 0.581 nan 8.190 nan 0.000 0.425 324 V N 4.265 124.161 119.914 -0.031 0.000 2.925 324 V HA 0.828 4.948 4.120 0.001 0.000 0.311 324 V C -1.255 174.829 176.094 -0.017 0.000 1.104 324 V CA -0.775 61.520 62.300 -0.008 0.000 0.954 324 V CB 1.981 33.810 31.823 0.011 0.000 1.022 324 V HN 0.741 nan 8.190 nan 0.000 0.427 325 I N 4.343 124.928 120.570 0.026 0.000 2.512 325 I HA 0.537 4.707 4.170 0.001 0.000 0.287 325 I C -0.126 176.043 176.117 0.085 0.000 1.069 325 I CA -0.236 61.093 61.300 0.048 0.000 1.056 325 I CB 1.916 39.984 38.000 0.114 0.000 1.229 325 I HN 0.966 nan 8.210 nan 0.000 0.429 326 N N 5.179 123.896 118.700 0.030 0.000 2.620 326 N HA 0.294 5.034 4.740 0.001 0.000 0.307 326 N C 0.557 176.072 175.510 0.008 0.000 1.316 326 N CA -0.455 52.568 53.050 -0.045 0.000 0.931 326 N CB 0.536 38.847 38.487 -0.292 0.000 1.116 326 N HN 0.450 nan 8.380 nan 0.000 0.573 327 K N -1.241 119.115 120.400 -0.074 0.000 2.555 327 K HA -0.041 4.280 4.320 0.001 0.000 0.193 327 K C -0.267 176.219 176.600 -0.189 0.000 1.032 327 K CA 1.110 57.350 56.287 -0.078 0.000 1.004 327 K CB -0.033 32.444 32.500 -0.038 0.000 0.804 327 K HN 0.688 nan 8.250 nan 0.000 0.496 328 D N -2.012 118.300 120.400 -0.147 0.000 2.489 328 D HA 0.009 4.650 4.640 0.001 0.000 0.343 328 D C -0.517 175.745 176.300 -0.062 0.000 1.295 328 D CA -0.095 53.842 54.000 -0.106 0.000 0.908 328 D CB 0.592 41.355 40.800 -0.062 0.000 1.382 328 D HN -0.200 nan 8.370 nan 0.000 0.468 329 T N -0.241 114.274 114.554 -0.065 0.000 2.957 329 T HA 0.456 4.806 4.350 0.001 0.000 0.336 329 T C -1.349 173.286 174.700 -0.108 0.000 1.462 329 T CA -0.262 61.803 62.100 -0.058 0.000 1.073 329 T CB 2.143 70.998 68.868 -0.022 0.000 1.319 329 T HN -0.106 nan 8.240 nan 0.000 0.485 330 T N 1.747 116.151 114.554 -0.250 0.000 2.887 330 T HA 0.812 5.162 4.350 0.001 0.000 0.288 330 T C -0.795 173.621 174.700 -0.474 0.000 1.021 330 T CA -0.559 61.302 62.100 -0.397 0.000 1.000 330 T CB 1.919 70.387 68.868 -0.666 0.000 1.034 330 T HN 0.622 nan 8.240 nan 0.000 0.467 331 T N 2.040 116.404 114.554 -0.317 0.000 2.993 331 T HA 0.602 4.952 4.350 0.001 0.000 0.312 331 T C -0.885 173.727 174.700 -0.147 0.000 1.115 331 T CA -0.779 61.175 62.100 -0.244 0.000 1.027 331 T CB 0.390 69.180 68.868 -0.131 0.000 1.116 331 T HN 0.596 nan 8.240 nan 0.000 0.464 332 I N 2.747 123.258 120.570 -0.098 0.000 2.577 332 I HA 0.744 4.914 4.170 0.001 0.000 0.300 332 I C -0.768 175.337 176.117 -0.020 0.000 0.990 332 I CA -0.920 60.362 61.300 -0.031 0.000 1.283 332 I CB 1.159 39.170 38.000 0.017 0.000 1.411 332 I HN 0.525 nan 8.210 nan 0.000 0.515 333 I N 2.833 123.394 120.570 -0.015 0.000 2.534 333 I HA 0.296 4.466 4.170 0.001 0.000 0.288 333 I C -1.078 175.032 176.117 -0.012 0.000 1.077 333 I CA -0.496 60.796 61.300 -0.013 0.000 1.051 333 I CB 1.733 39.722 38.000 -0.018 0.000 1.234 333 I HN 0.754 nan 8.210 nan 0.000 0.425 334 D N 4.621 125.016 120.400 -0.007 0.000 2.990 334 D HA -0.112 4.528 4.640 0.001 0.000 0.245 334 D C 0.241 176.536 176.300 -0.009 0.000 1.120 334 D CA 1.025 55.019 54.000 -0.009 0.000 0.838 334 D CB -0.293 40.498 40.800 -0.015 0.000 1.000 334 D HN 0.901 nan 8.370 nan 0.000 0.420 335 G N 0.529 109.330 108.800 0.001 0.000 2.406 335 G HA2 0.338 4.299 3.960 0.001 0.000 0.251 335 G HA3 0.338 4.299 3.960 0.001 0.000 0.251 335 G C 1.347 176.248 174.900 0.002 0.000 1.271 335 G CA -0.350 44.753 45.100 0.006 0.000 0.859 335 G HN 0.393 nan 8.290 nan 0.000 0.540 336 V N 2.996 122.909 119.914 -0.002 0.000 3.444 336 V HA 0.025 4.146 4.120 0.001 0.000 0.271 336 V C 2.086 178.185 176.094 0.007 0.000 1.188 336 V CA 0.914 63.212 62.300 -0.004 0.000 1.168 336 V CB -1.042 30.772 31.823 -0.015 0.000 0.810 336 V HN 0.792 nan 8.190 nan 0.000 0.500 337 G N 0.198 109.006 108.800 0.014 0.000 2.614 337 G HA2 0.156 4.116 3.960 0.001 0.000 0.239 337 G HA3 0.156 4.116 3.960 0.001 0.000 0.239 337 G C -0.129 174.777 174.900 0.011 0.000 1.240 337 G CA -0.165 44.944 45.100 0.016 0.000 0.842 337 G HN 0.243 nan 8.290 nan 0.000 0.584 338 E N 0.633 120.839 120.200 0.011 0.000 2.174 338 E HA 0.101 4.451 4.350 0.001 0.000 0.282 338 E C 0.709 177.314 176.600 0.007 0.000 0.992 338 E CA -0.551 55.854 56.400 0.008 0.000 0.803 338 E CB 1.051 30.756 29.700 0.008 0.000 1.090 338 E HN 0.457 nan 8.360 nan 0.000 0.396 339 E N 3.055 123.258 120.200 0.005 0.000 2.153 339 E HA -0.149 4.202 4.350 0.001 0.000 0.194 339 E C 1.487 178.089 176.600 0.005 0.000 0.988 339 E CA 1.120 57.523 56.400 0.005 0.000 0.811 339 E CB -0.100 29.602 29.700 0.003 0.000 0.746 339 E HN 0.591 nan 8.360 nan 0.000 0.466 340 A N 1.214 124.037 122.820 0.004 0.000 1.972 340 A HA -0.026 4.294 4.320 0.001 0.000 0.219 340 A C 2.345 179.932 177.584 0.004 0.000 1.169 340 A CA 1.730 53.769 52.037 0.004 0.000 0.635 340 A CB -0.313 18.689 19.000 0.003 0.000 0.810 340 A HN 0.255 nan 8.150 nan 0.000 0.446 341 A N -0.371 122.452 122.820 0.006 0.000 1.970 341 A HA 0.128 4.448 4.320 0.001 0.000 0.216 341 A C 2.046 179.634 177.584 0.007 0.000 1.170 341 A CA 1.129 53.170 52.037 0.006 0.000 0.645 341 A CB -0.407 18.597 19.000 0.007 0.000 0.816 341 A HN 0.466 nan 8.150 nan 0.000 0.447 342 I N -0.555 120.020 120.570 0.008 0.000 2.193 342 I HA -0.201 3.969 4.170 0.001 0.000 0.240 342 I C 2.506 178.628 176.117 0.008 0.000 1.084 342 I CA 0.978 62.284 61.300 0.009 0.000 1.365 342 I CB -0.311 37.695 38.000 0.011 0.000 1.064 342 I HN 0.240 nan 8.210 nan 0.000 0.410 343 Q N 0.786 120.590 119.800 0.006 0.000 2.167 343 Q HA -0.075 4.266 4.340 0.001 0.000 0.202 343 Q C 2.299 178.301 176.000 0.004 0.000 0.970 343 Q CA 1.574 57.380 55.803 0.005 0.000 0.855 343 Q CB -0.883 27.857 28.738 0.004 0.000 0.911 343 Q HN 0.596 nan 8.270 nan 0.000 0.438 344 G N 1.065 109.867 108.800 0.004 0.000 2.418 344 G HA2 -0.309 3.652 3.960 0.001 0.000 0.217 344 G HA3 -0.309 3.652 3.960 0.001 0.000 0.217 344 G C 1.697 176.599 174.900 0.003 0.000 1.158 344 G CA 0.886 45.987 45.100 0.003 0.000 0.771 344 G HN 0.257 nan 8.290 nan 0.000 0.545 345 R N 0.303 120.806 120.500 0.004 0.000 2.092 345 R HA 0.021 4.362 4.340 0.001 0.000 0.231 345 R C 2.604 178.906 176.300 0.004 0.000 1.119 345 R CA 1.236 57.338 56.100 0.004 0.000 0.970 345 R CB -0.904 29.399 30.300 0.005 0.000 0.864 345 R HN 0.222 nan 8.270 nan 0.000 0.440 346 V N 0.743 120.660 119.914 0.005 0.000 2.287 346 V HA -0.263 3.858 4.120 0.001 0.000 0.248 346 V C 2.343 178.438 176.094 0.002 0.000 1.053 346 V CA 2.062 64.364 62.300 0.004 0.000 1.027 346 V CB -1.015 30.811 31.823 0.005 0.000 0.646 346 V HN 0.528 nan 8.190 nan 0.000 0.447 347 A N -0.985 121.836 122.820 0.002 0.000 1.902 347 A HA -0.278 4.042 4.320 0.001 0.000 0.217 347 A C 2.179 179.763 177.584 0.000 0.000 1.181 347 A CA 1.897 53.934 52.037 0.001 0.000 0.623 347 A CB -0.474 18.526 19.000 0.001 0.000 0.818 347 A HN 0.632 nan 8.150 nan 0.000 0.443 348 Q N -0.497 119.303 119.800 0.000 0.000 2.061 348 Q HA -0.141 4.199 4.340 0.001 0.000 0.204 348 Q C 2.041 178.040 176.000 -0.002 0.000 0.984 348 Q CA 1.713 57.515 55.803 -0.001 0.000 0.846 348 Q CB -0.350 28.387 28.738 -0.001 0.000 0.902 348 Q HN 0.749 nan 8.270 nan 0.000 0.421 349 I N 0.213 120.782 120.570 -0.001 0.000 2.315 349 I HA -0.256 3.914 4.170 0.001 0.000 0.248 349 I C 2.433 178.549 176.117 -0.002 0.000 1.117 349 I CA 0.772 62.071 61.300 -0.002 0.000 1.404 349 I CB -0.258 37.741 38.000 -0.001 0.000 1.071 349 I HN 0.151 nan 8.210 nan 0.000 0.419 350 R N 0.531 121.030 120.500 -0.001 0.000 2.091 350 R HA -0.238 4.102 4.340 0.001 0.000 0.238 350 R C 2.178 178.477 176.300 -0.001 0.000 1.136 350 R CA 1.576 57.675 56.100 -0.001 0.000 0.959 350 R CB -0.585 29.714 30.300 -0.001 0.000 0.856 350 R HN 0.533 nan 8.270 nan 0.000 0.437 351 Q N 0.581 120.381 119.800 -0.001 0.000 2.123 351 Q HA -0.128 4.212 4.340 0.001 0.000 0.199 351 Q C 1.813 177.812 176.000 -0.002 0.000 0.966 351 Q CA 1.058 56.860 55.803 -0.002 0.000 0.845 351 Q CB 0.156 28.893 28.738 -0.001 0.000 0.907 351 Q HN 0.393 nan 8.270 nan 0.000 0.439 352 Q N 0.101 119.899 119.800 -0.003 0.000 2.368 352 Q HA -0.143 4.197 4.340 0.001 0.000 0.210 352 Q C 1.853 177.852 176.000 -0.003 0.000 0.982 352 Q CA 0.875 56.676 55.803 -0.004 0.000 0.884 352 Q CB -0.066 28.668 28.738 -0.006 0.000 0.933 352 Q HN 0.506 nan 8.270 nan 0.000 0.460 353 I N 1.304 121.873 120.570 -0.002 0.000 2.454 353 I HA -0.286 3.884 4.170 0.001 0.000 0.254 353 I C 2.406 178.523 176.117 0.000 0.000 1.156 353 I CA 1.260 62.559 61.300 -0.001 0.000 1.433 353 I CB -0.484 37.515 38.000 -0.001 0.000 1.082 353 I HN 0.336 nan 8.210 nan 0.000 0.432 354 E N 1.278 121.478 120.200 -0.000 0.000 2.265 354 E HA -0.265 4.086 4.350 0.001 0.000 0.196 354 E C 1.591 178.191 176.600 0.001 0.000 0.996 354 E CA 1.181 57.581 56.400 0.000 0.000 0.832 354 E CB -0.166 29.534 29.700 -0.000 0.000 0.756 354 E HN 0.433 nan 8.360 nan 0.000 0.491 355 E N 0.197 120.397 120.200 0.000 0.000 2.347 355 E HA 0.024 4.374 4.350 0.001 0.000 0.196 355 E C 1.270 177.872 176.600 0.003 0.000 1.008 355 E CA 1.261 57.661 56.400 0.001 0.000 0.852 355 E CB 0.041 29.740 29.700 -0.001 0.000 0.783 355 E HN 0.470 nan 8.360 nan 0.000 0.505 356 A N -1.070 121.753 122.820 0.005 0.000 4.284 356 A HA -0.389 3.932 4.320 0.001 0.000 0.264 356 A C 1.947 179.538 177.584 0.012 0.000 0.856 356 A CA 2.237 54.279 52.037 0.007 0.000 1.165 356 A CB -2.523 16.481 19.000 0.006 0.000 1.059 356 A HN 0.391 nan 8.150 nan 0.000 0.803 357 T N -0.629 113.932 114.554 0.012 0.000 2.622 357 T HA 0.122 4.472 4.350 0.001 0.000 0.266 357 T C 1.191 175.904 174.700 0.022 0.000 1.047 357 T CA 1.711 63.820 62.100 0.014 0.000 1.159 357 T CB -0.315 68.559 68.868 0.010 0.000 0.863 357 T HN 1.495 nan 8.240 nan 0.000 0.422 358 S N 0.320 116.039 115.700 0.032 0.000 2.475 358 S HA 0.257 4.728 4.470 0.001 0.000 0.298 358 S C 0.092 174.732 174.600 0.066 0.000 1.119 358 S CA -0.762 57.469 58.200 0.052 0.000 1.085 358 S CB 1.370 64.608 63.200 0.064 0.000 1.028 358 S HN 0.192 nan 8.310 nan 0.000 0.489 359 D N 2.088 122.535 120.400 0.078 0.000 2.183 359 D HA -0.011 4.629 4.640 0.001 0.000 0.203 359 D C 1.147 177.508 176.300 0.103 0.000 0.969 359 D CA 1.163 55.208 54.000 0.075 0.000 0.842 359 D CB -0.106 40.736 40.800 0.071 0.000 0.957 359 D HN 0.726 nan 8.370 nan 0.000 0.484 360 Y N 1.216 121.523 120.300 0.013 0.000 2.220 360 Y HA -0.122 4.428 4.550 0.001 0.000 0.291 360 Y C 1.296 177.204 175.900 0.013 0.000 1.129 360 Y CA 1.468 59.579 58.100 0.018 0.000 1.161 360 Y CB 0.072 38.547 38.460 0.026 0.000 0.997 360 Y HN -0.112 nan 8.280 nan 0.000 0.522 361 D N -0.817 119.703 120.400 0.200 0.000 2.149 361 D HA -0.104 4.536 4.640 0.001 0.000 0.201 361 D C 2.100 178.415 176.300 0.026 0.000 0.972 361 D CA 0.974 55.035 54.000 0.102 0.000 0.835 361 D CB -0.082 40.769 40.800 0.086 0.000 0.966 361 D HN 0.206 nan 8.370 nan 0.000 0.476 362 R N 0.506 121.019 120.500 0.022 0.000 2.091 362 R HA -0.174 4.166 4.340 0.001 0.000 0.238 362 R C 2.166 178.449 176.300 -0.028 0.000 1.136 362 R CA 1.301 57.400 56.100 -0.001 0.000 0.959 362 R CB -0.126 30.178 30.300 0.007 0.000 0.856 362 R HN 0.298 nan 8.270 nan 0.000 0.437 363 E N 0.657 120.820 120.200 -0.062 0.000 2.051 363 E HA -0.215 4.135 4.350 0.001 0.000 0.192 363 E C 1.569 178.103 176.600 -0.109 0.000 0.991 363 E CA 1.344 57.681 56.400 -0.104 0.000 0.799 363 E CB 0.185 29.781 29.700 -0.174 0.000 0.748 363 E HN -0.024 nan 8.360 nan 0.000 0.449 364 K N 0.264 120.585 120.400 -0.131 0.000 2.280 364 K HA -0.048 4.272 4.320 0.001 0.000 0.202 364 K C 1.874 178.452 176.600 -0.037 0.000 1.047 364 K CA 0.627 56.863 56.287 -0.085 0.000 0.942 364 K CB -0.081 32.383 32.500 -0.059 0.000 0.739 364 K HN 0.206 nan 8.250 nan 0.000 0.457 365 L N -0.257 120.950 121.223 -0.027 0.000 2.068 365 L HA -0.156 4.184 4.340 0.001 0.000 0.204 365 L C 2.439 179.299 176.870 -0.016 0.000 1.076 365 L CA 0.962 55.793 54.840 -0.016 0.000 0.753 365 L CB -0.354 41.699 42.059 -0.010 0.000 0.910 365 L HN 0.152 nan 8.230 nan 0.000 0.439 366 Q N 0.887 120.674 119.800 -0.021 0.000 2.112 366 Q HA -0.261 4.079 4.340 0.001 0.000 0.206 366 Q C 1.891 177.881 176.000 -0.016 0.000 0.987 366 Q CA 1.936 57.728 55.803 -0.018 0.000 0.858 366 Q CB -0.113 28.611 28.738 -0.023 0.000 0.905 366 Q HN 0.458 nan 8.270 nan 0.000 0.420 367 E N -0.437 119.749 120.200 -0.023 0.000 2.106 367 E HA -0.162 4.188 4.350 0.001 0.000 0.192 367 E C 2.206 178.807 176.600 0.002 0.000 0.984 367 E CA 0.920 57.312 56.400 -0.013 0.000 0.806 367 E CB -0.097 29.590 29.700 -0.023 0.000 0.750 367 E HN 0.326 nan 8.360 nan 0.000 0.458 368 R N 0.414 120.914 120.500 -0.001 0.000 2.081 368 R HA -0.129 4.211 4.340 0.001 0.000 0.235 368 R C 2.447 178.752 176.300 0.008 0.000 1.131 368 R CA 1.180 57.284 56.100 0.006 0.000 0.960 368 R CB -0.360 29.939 30.300 -0.001 0.000 0.856 368 R HN 0.052 nan 8.270 nan 0.000 0.436 369 V N 0.879 120.795 119.914 0.003 0.000 2.255 369 V HA -0.275 3.845 4.120 0.001 0.000 0.247 369 V C 2.433 178.531 176.094 0.007 0.000 1.051 369 V CA 2.090 64.392 62.300 0.004 0.000 1.018 369 V CB -0.755 31.068 31.823 0.000 0.000 0.641 369 V HN 0.440 nan 8.190 nan 0.000 0.445 370 A N -0.572 122.252 122.820 0.006 0.000 1.902 370 A HA -0.174 4.146 4.320 0.001 0.000 0.217 370 A C 2.202 179.796 177.584 0.017 0.000 1.181 370 A CA 1.516 53.558 52.037 0.009 0.000 0.623 370 A CB -0.378 18.624 19.000 0.005 0.000 0.818 370 A HN 0.401 nan 8.150 nan 0.000 0.443 371 K N -0.863 119.553 120.400 0.026 0.000 2.365 371 K HA 0.044 4.364 4.320 0.001 0.000 0.199 371 K C 1.572 178.198 176.600 0.044 0.000 1.045 371 K CA 0.594 56.906 56.287 0.043 0.000 0.962 371 K CB -0.291 32.248 32.500 0.064 0.000 0.759 371 K HN 0.457 nan 8.250 nan 0.000 0.469 372 L N -0.236 121.006 121.223 0.032 0.000 2.253 372 L HA 0.168 4.508 4.340 0.001 0.000 0.205 372 L C 1.743 178.625 176.870 0.020 0.000 1.078 372 L CA 1.146 56.004 54.840 0.029 0.000 0.805 372 L CB -0.097 41.975 42.059 0.023 0.000 0.963 372 L HN 0.023 nan 8.230 nan 0.000 0.459 373 A N -1.523 121.307 122.820 0.015 0.000 2.197 373 A HA 0.367 4.687 4.320 0.001 0.000 0.210 373 A C 2.038 179.627 177.584 0.008 0.000 1.180 373 A CA 0.518 52.562 52.037 0.010 0.000 0.846 373 A CB -0.628 18.377 19.000 0.007 0.000 0.884 373 A HN 0.401 nan 8.150 nan 0.000 0.487 374 G N -0.540 108.266 108.800 0.010 0.000 2.453 374 G HA2 0.389 4.350 3.960 0.001 0.000 0.215 374 G HA3 0.389 4.350 3.960 0.001 0.000 0.215 374 G C 1.139 176.042 174.900 0.005 0.000 1.147 374 G CA 0.693 45.797 45.100 0.007 0.000 0.802 374 G HN 1.574 nan 8.290 nan 0.000 0.535 375 G N -1.383 107.421 108.800 0.007 0.000 2.598 375 G HA2 0.005 3.965 3.960 0.001 0.000 0.244 375 G HA3 0.005 3.965 3.960 0.001 0.000 0.244 375 G C -0.577 174.323 174.900 -0.000 0.000 1.302 375 G CA -0.132 44.971 45.100 0.004 0.000 0.903 375 G HN 1.126 nan 8.290 nan 0.000 0.575 376 V N -0.339 119.573 119.914 -0.004 0.000 2.932 376 V HA 0.773 4.894 4.120 0.001 0.000 0.307 376 V C 0.492 176.580 176.094 -0.010 0.000 1.147 376 V CA -0.133 62.162 62.300 -0.009 0.000 0.951 376 V CB 1.533 33.349 31.823 -0.011 0.000 1.031 376 V HN 2.283 nan 8.190 nan 0.000 0.426 377 A N 3.140 125.952 122.820 -0.013 0.000 2.305 377 A HA 0.922 5.243 4.320 0.001 0.000 0.322 377 A C -0.452 177.121 177.584 -0.017 0.000 1.187 377 A CA -0.554 51.474 52.037 -0.015 0.000 0.825 377 A CB 1.485 20.476 19.000 -0.016 0.000 1.164 377 A HN 1.702 nan 8.150 nan 0.000 0.498 378 V N 0.546 120.450 119.914 -0.016 0.000 2.588 378 V HA 0.698 4.819 4.120 0.001 0.000 0.304 378 V C -0.622 175.462 176.094 -0.017 0.000 1.042 378 V CA -0.594 61.696 62.300 -0.017 0.000 0.877 378 V CB 1.236 33.050 31.823 -0.015 0.000 0.996 378 V HN 0.637 nan 8.190 nan 0.000 0.425 379 I N 4.180 124.739 120.570 -0.018 0.000 2.337 379 I HA 0.399 4.569 4.170 0.001 0.000 0.285 379 I C 0.242 176.350 176.117 -0.015 0.000 1.041 379 I CA -0.413 60.876 61.300 -0.018 0.000 1.199 379 I CB 1.028 39.014 38.000 -0.023 0.000 1.370 379 I HN 0.622 nan 8.210 nan 0.000 0.470 380 K N 5.459 125.852 120.400 -0.012 0.000 2.292 380 K HA 0.293 4.614 4.320 0.001 0.000 0.290 380 K C -0.483 176.112 176.600 -0.010 0.000 1.083 380 K CA -0.365 55.915 56.287 -0.010 0.000 0.918 380 K CB 1.138 33.632 32.500 -0.010 0.000 1.089 380 K HN 0.341 nan 8.250 nan 0.000 0.473 381 V N 3.561 123.470 119.914 -0.009 0.000 2.387 381 V HA 0.115 4.235 4.120 0.001 0.000 0.260 381 V C 0.864 176.955 176.094 -0.006 0.000 1.054 381 V CA -0.495 61.800 62.300 -0.008 0.000 0.967 381 V CB 0.665 32.483 31.823 -0.007 0.000 1.036 381 V HN 0.858 nan 8.190 nan 0.000 0.481 382 G N 3.800 112.596 108.800 -0.007 0.000 2.415 382 G HA2 0.704 4.664 3.960 0.001 0.000 0.269 382 G HA3 0.704 4.664 3.960 0.001 0.000 0.269 382 G C -0.266 174.631 174.900 -0.005 0.000 1.209 382 G CA 0.384 45.481 45.100 -0.006 0.000 0.835 382 G HN 1.177 nan 8.290 nan 0.000 0.534 383 A N 0.280 123.098 122.820 -0.004 0.000 2.586 383 A HA 0.776 5.096 4.320 0.001 0.000 0.290 383 A C 0.828 178.410 177.584 -0.003 0.000 1.086 383 A CA 0.337 52.372 52.037 -0.003 0.000 0.665 383 A CB 0.430 19.428 19.000 -0.002 0.000 1.279 383 A HN 1.755 nan 8.150 nan 0.000 0.423 384 A N -0.463 122.355 122.820 -0.002 0.000 1.898 384 A HA 0.447 4.767 4.320 0.001 0.000 0.216 384 A C 1.214 178.797 177.584 -0.001 0.000 1.181 384 A CA 2.513 54.549 52.037 -0.002 0.000 0.620 384 A CB -0.350 18.648 19.000 -0.002 0.000 0.819 384 A HN 2.035 nan 8.150 nan 0.000 0.442 385 T N -3.433 111.120 114.554 -0.001 0.000 2.749 385 T HA 0.285 4.636 4.350 0.001 0.000 0.310 385 T C 0.404 175.105 174.700 0.001 0.000 1.496 385 T CA 0.091 62.191 62.100 0.000 0.000 1.006 385 T CB 1.301 70.170 68.868 0.001 0.000 1.457 385 T HN 0.296 nan 8.240 nan 0.000 0.497 386 E N 0.545 120.746 120.200 0.002 0.000 2.118 386 E HA -0.121 4.230 4.350 0.001 0.000 0.195 386 E C 1.788 178.391 176.600 0.004 0.000 0.992 386 E CA 1.806 58.208 56.400 0.003 0.000 0.804 386 E CB -0.037 29.665 29.700 0.003 0.000 0.741 386 E HN 0.463 nan 8.360 nan 0.000 0.458 387 V N 0.942 120.858 119.914 0.004 0.000 2.343 387 V HA -0.240 3.881 4.120 0.001 0.000 0.247 387 V C 2.369 178.466 176.094 0.005 0.000 1.051 387 V CA 2.246 64.549 62.300 0.006 0.000 1.036 387 V CB -0.533 31.293 31.823 0.006 0.000 0.654 387 V HN 0.338 nan 8.190 nan 0.000 0.451 388 E N -0.422 119.779 120.200 0.003 0.000 2.158 388 E HA -0.193 4.157 4.350 0.001 0.000 0.191 388 E C 2.240 178.841 176.600 0.002 0.000 0.982 388 E CA 0.985 57.386 56.400 0.002 0.000 0.823 388 E CB -0.097 29.603 29.700 0.000 0.000 0.766 388 E HN 0.561 nan 8.360 nan 0.000 0.468 389 M N 0.692 120.293 119.600 0.001 0.000 2.080 389 M HA -0.234 4.246 4.480 0.001 0.000 0.260 389 M C 1.879 178.181 176.300 0.003 0.000 1.068 389 M CA 1.742 57.042 55.300 0.001 0.000 1.109 389 M CB 0.005 32.605 32.600 0.001 0.000 1.342 389 M HN -0.053 nan 8.290 nan 0.000 0.405 390 K N -0.252 120.151 120.400 0.005 0.000 2.097 390 K HA -0.193 4.127 4.320 0.001 0.000 0.206 390 K C 2.051 178.656 176.600 0.008 0.000 1.049 390 K CA 1.497 57.788 56.287 0.007 0.000 0.933 390 K CB -0.337 32.169 32.500 0.009 0.000 0.717 390 K HN 0.479 nan 8.250 nan 0.000 0.442 391 E N 1.824 122.028 120.200 0.007 0.000 2.031 391 E HA -0.236 4.114 4.350 0.001 0.000 0.193 391 E C 1.985 178.588 176.600 0.005 0.000 0.994 391 E CA 1.445 57.849 56.400 0.006 0.000 0.800 391 E CB 0.097 29.799 29.700 0.005 0.000 0.752 391 E HN 0.151 nan 8.360 nan 0.000 0.447 392 K N 0.662 121.063 120.400 0.002 0.000 2.025 392 K HA -0.141 4.179 4.320 0.001 0.000 0.207 392 K C 2.436 179.036 176.600 0.000 0.000 1.049 392 K CA 1.250 57.537 56.287 -0.000 0.000 0.933 392 K CB -0.060 32.438 32.500 -0.002 0.000 0.714 392 K HN -0.062 nan 8.250 nan 0.000 0.438 393 K N 0.151 120.552 120.400 0.002 0.000 2.026 393 K HA -0.124 4.197 4.320 0.001 0.000 0.208 393 K C 2.000 178.605 176.600 0.009 0.000 1.048 393 K CA 1.243 57.532 56.287 0.003 0.000 0.929 393 K CB -0.167 32.336 32.500 0.005 0.000 0.713 393 K HN 0.204 nan 8.250 nan 0.000 0.439 394 A N 1.480 124.308 122.820 0.013 0.000 1.940 394 A HA -0.222 4.098 4.320 0.001 0.000 0.219 394 A C 2.121 179.717 177.584 0.020 0.000 1.176 394 A CA 1.767 53.816 52.037 0.020 0.000 0.631 394 A CB -0.556 18.456 19.000 0.019 0.000 0.814 394 A HN 0.386 nan 8.150 nan 0.000 0.446 395 R N -0.528 119.978 120.500 0.011 0.000 2.066 395 R HA -0.085 4.255 4.340 0.001 0.000 0.232 395 R C 1.920 178.220 176.300 0.000 0.000 1.131 395 R CA 1.747 57.852 56.100 0.007 0.000 0.955 395 R CB -0.420 29.881 30.300 0.003 0.000 0.851 395 R HN 0.287 nan 8.270 nan 0.000 0.432 396 V N 1.242 121.152 119.914 -0.007 0.000 2.407 396 V HA -0.224 3.896 4.120 0.001 0.000 0.248 396 V C 2.047 178.119 176.094 -0.036 0.000 1.055 396 V CA 1.994 64.280 62.300 -0.022 0.000 1.049 396 V CB -0.478 31.332 31.823 -0.022 0.000 0.662 396 V HN 0.426 nan 8.190 nan 0.000 0.455 397 E N -0.033 120.161 120.200 -0.010 0.000 2.007 397 E HA -0.268 4.083 4.350 0.001 0.000 0.194 397 E C 2.062 178.680 176.600 0.030 0.000 0.999 397 E CA 1.665 58.071 56.400 0.010 0.000 0.811 397 E CB -0.230 29.510 29.700 0.066 0.000 0.762 397 E HN 0.531 nan 8.360 nan 0.000 0.450 398 D N -0.178 120.273 120.400 0.085 0.000 2.178 398 D HA -0.066 4.575 4.640 0.001 0.000 0.202 398 D C 1.697 178.032 176.300 0.059 0.000 0.974 398 D CA 1.050 55.132 54.000 0.136 0.000 0.841 398 D CB -0.020 40.837 40.800 0.094 0.000 0.953 398 D HN 0.172 nan 8.370 nan 0.000 0.478 399 A N 0.129 122.949 122.820 0.001 0.000 2.019 399 A HA -0.081 4.240 4.320 0.001 0.000 0.219 399 A C 2.249 179.787 177.584 -0.076 0.000 1.164 399 A CA 0.796 52.818 52.037 -0.024 0.000 0.644 399 A CB -0.666 18.321 19.000 -0.022 0.000 0.805 399 A HN 0.416 nan 8.150 nan 0.000 0.449 400 L N -1.243 119.874 121.223 -0.178 0.000 2.005 400 L HA -0.146 4.194 4.340 0.001 0.000 0.207 400 L C 2.642 179.333 176.870 -0.298 0.000 1.072 400 L CA 1.502 56.173 54.840 -0.282 0.000 0.744 400 L CB -0.456 41.355 42.059 -0.413 0.000 0.895 400 L HN 0.491 nan 8.230 nan 0.000 0.433 401 H N -0.287 118.787 119.070 0.007 0.000 2.357 401 H HA -0.060 4.497 4.556 0.001 0.000 0.301 401 H C 2.211 177.546 175.328 0.012 0.000 1.082 401 H CA 1.306 57.359 56.048 0.009 0.000 1.342 401 H CB -0.406 29.363 29.762 0.013 0.000 1.389 401 H HN 0.515 nan 8.280 nan 0.000 0.511 402 A N 0.713 123.584 122.820 0.086 0.000 1.930 402 A HA -0.141 4.180 4.320 0.001 0.000 0.217 402 A C 2.620 180.220 177.584 0.026 0.000 1.175 402 A CA 1.888 53.959 52.037 0.057 0.000 0.627 402 A CB -0.862 18.168 19.000 0.049 0.000 0.815 402 A HN 0.374 nan 8.150 nan 0.000 0.443 403 T N -0.407 114.146 114.554 -0.002 0.000 2.684 403 T HA -0.168 4.182 4.350 0.001 0.000 0.267 403 T C 2.093 176.792 174.700 -0.001 0.000 1.036 403 T CA 1.645 63.739 62.100 -0.010 0.000 1.148 403 T CB -0.242 68.608 68.868 -0.030 0.000 0.863 403 T HN 0.492 nan 8.240 nan 0.000 0.436 404 R N 0.650 121.151 120.500 0.000 0.000 2.083 404 R HA -0.054 4.286 4.340 0.001 0.000 0.237 404 R C 2.799 179.115 176.300 0.026 0.000 1.137 404 R CA 1.421 57.530 56.100 0.015 0.000 0.951 404 R CB -0.528 29.788 30.300 0.028 0.000 0.851 404 R HN 0.378 nan 8.270 nan 0.000 0.434 405 A N 0.844 123.687 122.820 0.039 0.000 1.940 405 A HA -0.145 4.176 4.320 0.001 0.000 0.219 405 A C 2.292 179.893 177.584 0.028 0.000 1.176 405 A CA 1.782 53.843 52.037 0.040 0.000 0.631 405 A CB -0.546 18.487 19.000 0.054 0.000 0.814 405 A HN 0.450 nan 8.150 nan 0.000 0.446 406 A N -0.665 122.169 122.820 0.023 0.000 1.854 406 A HA 0.035 4.356 4.320 0.001 0.000 0.214 406 A C 2.176 179.766 177.584 0.010 0.000 1.192 406 A CA 1.615 53.661 52.037 0.015 0.000 0.611 406 A CB -0.987 18.020 19.000 0.012 0.000 0.832 406 A HN 0.401 nan 8.150 nan 0.000 0.442 407 V N 0.608 120.527 119.914 0.008 0.000 2.469 407 V HA -0.237 3.883 4.120 0.001 0.000 0.251 407 V C 1.911 178.009 176.094 0.007 0.000 1.064 407 V CA 2.069 64.372 62.300 0.005 0.000 1.066 407 V CB -0.912 30.912 31.823 0.002 0.000 0.667 407 V HN 0.628 nan 8.190 nan 0.000 0.461 408 E N -0.655 119.551 120.200 0.011 0.000 2.505 408 E HA -0.094 4.256 4.350 0.001 0.000 0.197 408 E C 1.508 178.113 176.600 0.009 0.000 1.111 408 E CA 0.340 56.747 56.400 0.011 0.000 0.887 408 E CB 0.088 29.798 29.700 0.016 0.000 0.913 408 E HN 0.650 nan 8.360 nan 0.000 0.517 409 E N -1.209 118.995 120.200 0.007 0.000 2.673 409 E HA 0.127 4.477 4.350 0.001 0.000 0.215 409 E C 0.479 177.081 176.600 0.003 0.000 0.935 409 E CA 0.350 56.752 56.400 0.003 0.000 1.341 409 E CB 0.717 30.418 29.700 0.001 0.000 1.277 409 E HN 0.226 nan 8.360 nan 0.000 0.667 410 G N 0.476 109.278 108.800 0.003 0.000 2.484 410 G HA2 -0.200 3.761 3.960 0.001 0.000 0.225 410 G HA3 -0.200 3.761 3.960 0.001 0.000 0.225 410 G C -0.577 174.325 174.900 0.003 0.000 1.250 410 G CA -0.338 44.764 45.100 0.003 0.000 0.926 410 G HN 0.836 nan 8.290 nan 0.000 0.581 411 V N -2.315 117.601 119.914 0.003 0.000 2.808 411 V HA 0.909 5.029 4.120 0.001 0.000 0.308 411 V C 0.457 176.553 176.094 0.005 0.000 1.099 411 V CA 0.172 62.474 62.300 0.003 0.000 0.920 411 V CB 0.958 32.782 31.823 0.002 0.000 1.014 411 V HN 2.391 nan 8.190 nan 0.000 0.425 412 V N 1.109 121.027 119.914 0.006 0.000 3.204 412 V HA 1.038 5.159 4.120 0.001 0.000 0.316 412 V C 0.719 176.820 176.094 0.011 0.000 1.160 412 V CA -0.562 61.744 62.300 0.009 0.000 1.044 412 V CB 1.510 33.339 31.823 0.009 0.000 1.136 412 V HN 2.036 nan 8.190 nan 0.000 0.455 413 A N 0.574 123.404 122.820 0.017 0.000 2.492 413 A HA 0.646 4.966 4.320 0.001 0.000 0.254 413 A C 0.733 178.329 177.584 0.019 0.000 1.091 413 A CA 0.504 52.553 52.037 0.021 0.000 0.768 413 A CB -0.705 18.315 19.000 0.033 0.000 1.028 413 A HN 1.822 nan 8.150 nan 0.000 0.498 414 G N 0.600 109.407 108.800 0.012 0.000 2.525 414 G HA2 0.525 4.485 3.960 0.001 0.000 0.287 414 G HA3 0.525 4.485 3.960 0.001 0.000 0.287 414 G C 1.106 176.014 174.900 0.013 0.000 1.350 414 G CA -0.054 45.051 45.100 0.008 0.000 1.039 414 G HN 2.202 nan 8.290 nan 0.000 0.513 415 G N -2.114 106.692 108.800 0.010 0.000 2.187 415 G HA2 0.191 4.152 3.960 0.001 0.000 0.261 415 G HA3 0.191 4.152 3.960 0.001 0.000 0.261 415 G C 1.509 176.425 174.900 0.027 0.000 1.000 415 G CA 1.198 46.308 45.100 0.017 0.000 0.718 415 G HN 2.526 nan 8.290 nan 0.000 0.519 416 G N -2.454 106.360 108.800 0.023 0.000 2.162 416 G HA2 -0.184 3.776 3.960 0.001 0.000 0.260 416 G HA3 -0.184 3.776 3.960 0.001 0.000 0.260 416 G C 1.471 176.390 174.900 0.032 0.000 0.976 416 G CA 1.459 46.575 45.100 0.026 0.000 0.655 416 G HN 1.669 nan 8.290 nan 0.000 0.533 417 V N 0.498 120.435 119.914 0.039 0.000 2.515 417 V HA 0.107 4.228 4.120 0.001 0.000 0.250 417 V C 3.041 179.161 176.094 0.044 0.000 1.058 417 V CA 2.837 65.168 62.300 0.051 0.000 1.064 417 V CB -0.550 31.314 31.823 0.068 0.000 0.675 417 V HN 1.107 nan 8.190 nan 0.000 0.461 418 A N -0.298 122.542 122.820 0.034 0.000 1.908 418 A HA -0.223 4.098 4.320 0.001 0.000 0.218 418 A C 2.127 179.724 177.584 0.022 0.000 1.181 418 A CA 2.210 54.264 52.037 0.027 0.000 0.627 418 A CB -0.700 18.312 19.000 0.020 0.000 0.818 418 A HN 0.541 nan 8.150 nan 0.000 0.445 419 L N 0.048 121.283 121.223 0.020 0.000 2.012 419 L HA -0.134 4.206 4.340 0.001 0.000 0.210 419 L C 2.256 179.137 176.870 0.020 0.000 1.073 419 L CA 1.826 56.675 54.840 0.016 0.000 0.748 419 L CB -0.423 41.644 42.059 0.014 0.000 0.891 419 L HN 0.457 nan 8.230 nan 0.000 0.431 420 I N -0.986 119.600 120.570 0.027 0.000 2.286 420 I HA -0.270 3.901 4.170 0.001 0.000 0.248 420 I C 2.438 178.572 176.117 0.029 0.000 1.115 420 I CA 0.699 62.017 61.300 0.030 0.000 1.392 420 I CB -0.434 37.591 38.000 0.040 0.000 1.065 420 I HN 0.248 nan 8.210 nan 0.000 0.418 421 R N 0.675 121.194 120.500 0.032 0.000 2.075 421 R HA -0.091 4.249 4.340 0.001 0.000 0.232 421 R C 2.326 178.638 176.300 0.019 0.000 1.126 421 R CA 1.610 57.727 56.100 0.028 0.000 0.963 421 R CB -1.358 28.962 30.300 0.033 0.000 0.858 421 R HN 0.460 nan 8.270 nan 0.000 0.435 422 V N -1.362 118.561 119.914 0.016 0.000 2.759 422 V HA 0.028 4.149 4.120 0.001 0.000 0.256 422 V C 2.226 178.325 176.094 0.009 0.000 1.080 422 V CA 1.416 63.722 62.300 0.010 0.000 1.101 422 V CB -0.944 30.883 31.823 0.006 0.000 0.698 422 V HN 0.142 nan 8.190 nan 0.000 0.477 423 A N 2.159 124.985 122.820 0.011 0.000 1.858 423 A HA -0.168 4.152 4.320 0.001 0.000 0.216 423 A C 2.616 180.205 177.584 0.009 0.000 1.190 423 A CA 2.740 54.783 52.037 0.010 0.000 0.617 423 A CB -1.196 17.812 19.000 0.013 0.000 0.827 423 A HN 0.917 nan 8.150 nan 0.000 0.443 424 S N 0.028 115.734 115.700 0.011 0.000 2.399 424 S HA -0.176 4.294 4.470 0.001 0.000 0.231 424 S C 1.760 176.363 174.600 0.006 0.000 1.022 424 S CA 1.467 59.672 58.200 0.008 0.000 0.983 424 S CB -0.421 62.785 63.200 0.010 0.000 0.803 424 S HN 0.580 nan 8.310 nan 0.000 0.480 425 K N 0.835 121.239 120.400 0.007 0.000 2.281 425 K HA 0.072 4.392 4.320 0.001 0.000 0.203 425 K C 1.038 177.640 176.600 0.003 0.000 1.046 425 K CA 1.037 57.327 56.287 0.005 0.000 0.938 425 K CB -0.343 32.161 32.500 0.006 0.000 0.737 425 K HN 0.443 nan 8.250 nan 0.000 0.458 426 L N -0.448 120.777 121.223 0.003 0.000 2.872 426 L HA 0.219 4.559 4.340 0.001 0.000 0.245 426 L C 1.664 178.535 176.870 0.002 0.000 1.211 426 L CA -0.382 54.459 54.840 0.002 0.000 1.013 426 L CB 0.274 42.334 42.059 0.002 0.000 1.326 426 L HN 0.048 nan 8.230 nan 0.000 0.525 427 A N 0.304 123.125 122.820 0.002 0.000 1.903 427 A HA -0.247 4.074 4.320 0.001 0.000 0.219 427 A C 1.845 179.430 177.584 0.001 0.000 1.191 427 A CA 2.015 54.053 52.037 0.001 0.000 0.638 427 A CB -0.276 18.724 19.000 0.000 0.000 0.823 427 A HN 0.414 nan 8.150 nan 0.000 0.451 428 D N -1.010 119.390 120.400 0.001 0.000 2.363 428 D HA 0.050 4.691 4.640 0.001 0.000 0.220 428 D C 0.262 176.562 176.300 0.001 0.000 0.994 428 D CA 0.018 54.018 54.000 0.000 0.000 0.890 428 D CB -0.096 40.704 40.800 0.000 0.000 0.906 428 D HN 0.323 nan 8.370 nan 0.000 0.530 429 L N 1.870 123.094 121.223 0.001 0.000 2.455 429 L HA 0.072 4.412 4.340 0.001 0.000 0.272 429 L C 0.010 176.880 176.870 0.001 0.000 1.174 429 L CA 0.641 55.481 54.840 0.001 0.000 0.869 429 L CB 0.231 42.291 42.059 0.001 0.000 1.130 429 L HN -0.217 nan 8.230 nan 0.000 0.474 430 R N 3.034 123.535 120.500 0.001 0.000 2.808 430 R HA 0.682 5.022 4.340 0.001 0.000 0.272 430 R C -0.185 176.116 176.300 0.002 0.000 0.995 430 R CA -0.297 55.804 56.100 0.002 0.000 0.917 430 R CB 1.453 31.754 30.300 0.002 0.000 1.217 430 R HN 0.801 nan 8.270 nan 0.000 0.471 431 G N -0.243 108.559 108.800 0.002 0.000 3.008 431 G HA2 0.190 4.150 3.960 0.001 0.000 0.181 431 G HA3 0.190 4.150 3.960 0.001 0.000 0.181 431 G C 0.145 175.047 174.900 0.003 0.000 1.309 431 G CA -0.166 44.935 45.100 0.003 0.000 1.009 431 G HN 0.411 nan 8.290 nan 0.000 0.584 432 Q N -0.229 119.573 119.800 0.003 0.000 2.245 432 Q HA 0.093 4.433 4.340 0.001 0.000 0.201 432 Q C 0.601 176.603 176.000 0.003 0.000 0.955 432 Q CA 0.920 56.725 55.803 0.003 0.000 0.870 432 Q CB 0.107 28.847 28.738 0.003 0.000 0.945 432 Q HN 0.603 nan 8.270 nan 0.000 0.461 433 N N -1.804 116.898 118.700 0.003 0.000 3.261 433 N HA -0.012 4.729 4.740 0.001 0.000 0.248 433 N C -0.215 175.297 175.510 0.004 0.000 1.498 433 N CA -0.233 52.819 53.050 0.003 0.000 0.884 433 N CB 0.744 39.233 38.487 0.004 0.000 1.428 433 N HN -0.313 nan 8.380 nan 0.000 0.517 434 E N 0.414 120.616 120.200 0.004 0.000 2.118 434 E HA -0.081 4.269 4.350 0.001 0.000 0.195 434 E C 0.675 177.278 176.600 0.005 0.000 0.992 434 E CA 1.539 57.941 56.400 0.004 0.000 0.804 434 E CB -0.252 29.451 29.700 0.004 0.000 0.741 434 E HN 0.508 nan 8.360 nan 0.000 0.458 435 D N 0.067 120.471 120.400 0.005 0.000 2.182 435 D HA -0.178 4.463 4.640 0.001 0.000 0.201 435 D C 1.705 178.009 176.300 0.007 0.000 0.986 435 D CA 0.991 54.995 54.000 0.007 0.000 0.847 435 D CB 0.052 40.856 40.800 0.007 0.000 0.942 435 D HN 0.395 nan 8.370 nan 0.000 0.467 436 Q N 0.065 119.869 119.800 0.006 0.000 2.204 436 Q HA -0.018 4.322 4.340 0.001 0.000 0.198 436 Q C 1.863 177.866 176.000 0.005 0.000 0.946 436 Q CA 0.350 56.156 55.803 0.006 0.000 0.859 436 Q CB 0.122 28.863 28.738 0.005 0.000 0.946 436 Q HN 0.158 nan 8.270 nan 0.000 0.474 437 N N 0.495 119.197 118.700 0.004 0.000 2.166 437 N HA -0.114 4.626 4.740 0.001 0.000 0.186 437 N C 1.886 177.398 175.510 0.005 0.000 1.019 437 N CA 0.967 54.020 53.050 0.004 0.000 0.856 437 N CB -0.215 38.274 38.487 0.003 0.000 0.993 437 N HN 0.033 nan 8.380 nan 0.000 0.426 438 V N 0.893 120.810 119.914 0.005 0.000 2.343 438 V HA -0.137 3.984 4.120 0.001 0.000 0.247 438 V C 2.445 178.543 176.094 0.007 0.000 1.051 438 V CA 1.993 64.296 62.300 0.006 0.000 1.036 438 V CB -1.205 30.622 31.823 0.006 0.000 0.654 438 V HN 0.334 nan 8.190 nan 0.000 0.451 439 G N -0.075 108.730 108.800 0.007 0.000 2.418 439 G HA2 -0.223 3.737 3.960 0.001 0.000 0.217 439 G HA3 -0.223 3.737 3.960 0.001 0.000 0.217 439 G C 1.571 176.475 174.900 0.007 0.000 1.158 439 G CA 1.081 46.186 45.100 0.008 0.000 0.771 439 G HN 0.477 nan 8.290 nan 0.000 0.545 440 I N 0.228 120.802 120.570 0.005 0.000 2.099 440 I HA -0.170 4.000 4.170 0.001 0.000 0.239 440 I C 2.745 178.865 176.117 0.005 0.000 1.066 440 I CA 1.369 62.672 61.300 0.004 0.000 1.324 440 I CB -0.107 37.895 38.000 0.004 0.000 1.037 440 I HN 0.001 nan 8.210 nan 0.000 0.401 441 K N 0.395 120.798 120.400 0.005 0.000 2.211 441 K HA -0.056 4.264 4.320 0.001 0.000 0.203 441 K C 1.896 178.500 176.600 0.007 0.000 1.050 441 K CA 0.714 57.004 56.287 0.005 0.000 0.945 441 K CB -0.594 31.909 32.500 0.005 0.000 0.732 441 K HN 0.122 nan 8.250 nan 0.000 0.451 442 V N 0.737 120.655 119.914 0.007 0.000 2.287 442 V HA -0.297 3.823 4.120 0.001 0.000 0.248 442 V C 2.165 178.264 176.094 0.009 0.000 1.053 442 V CA 2.122 64.428 62.300 0.009 0.000 1.027 442 V CB -0.693 31.136 31.823 0.010 0.000 0.646 442 V HN 0.366 nan 8.190 nan 0.000 0.447 443 A N -0.375 122.450 122.820 0.008 0.000 1.873 443 A HA -0.135 4.186 4.320 0.001 0.000 0.215 443 A C 2.178 179.767 177.584 0.008 0.000 1.186 443 A CA 1.780 53.822 52.037 0.008 0.000 0.616 443 A CB -0.537 18.467 19.000 0.006 0.000 0.823 443 A HN 0.499 nan 8.150 nan 0.000 0.442 444 L N -1.044 120.183 121.223 0.007 0.000 2.046 444 L HA -0.188 4.153 4.340 0.001 0.000 0.208 444 L C 2.786 179.661 176.870 0.009 0.000 1.077 444 L CA 1.775 56.619 54.840 0.007 0.000 0.747 444 L CB -0.599 41.463 42.059 0.006 0.000 0.896 444 L HN 0.455 nan 8.230 nan 0.000 0.432 445 R N 0.646 121.151 120.500 0.009 0.000 2.117 445 R HA -0.206 4.135 4.340 0.001 0.000 0.243 445 R C 2.176 178.483 176.300 0.011 0.000 1.143 445 R CA 1.609 57.715 56.100 0.010 0.000 0.968 445 R CB -0.208 30.097 30.300 0.009 0.000 0.863 445 R HN 0.376 nan 8.270 nan 0.000 0.444 446 A N 0.263 123.090 122.820 0.012 0.000 2.119 446 A HA -0.047 4.274 4.320 0.001 0.000 0.217 446 A C 1.967 179.560 177.584 0.015 0.000 1.153 446 A CA 0.746 52.791 52.037 0.014 0.000 0.692 446 A CB -0.252 18.756 19.000 0.014 0.000 0.799 446 A HN 0.339 nan 8.150 nan 0.000 0.458 447 M N -0.517 119.092 119.600 0.014 0.000 2.549 447 M HA -0.106 4.375 4.480 0.001 0.000 0.260 447 M C 1.367 177.678 176.300 0.019 0.000 1.076 447 M CA 0.933 56.242 55.300 0.016 0.000 1.090 447 M CB -0.241 32.367 32.600 0.014 0.000 1.418 447 M HN 0.461 nan 8.290 nan 0.000 0.486 448 E N 0.317 120.529 120.200 0.020 0.000 2.358 448 E HA -0.040 4.310 4.350 0.001 0.000 0.195 448 E C 2.066 178.679 176.600 0.023 0.000 1.010 448 E CA 0.544 56.958 56.400 0.023 0.000 0.856 448 E CB 0.035 29.748 29.700 0.022 0.000 0.795 448 E HN 0.505 nan 8.360 nan 0.000 0.504 449 A N 2.264 125.097 122.820 0.020 0.000 1.908 449 A HA -0.136 4.185 4.320 0.001 0.000 0.218 449 A C -0.328 177.269 177.584 0.022 0.000 1.181 449 A CA 1.206 53.255 52.037 0.020 0.000 0.627 449 A CB -1.350 17.662 19.000 0.019 0.000 0.818 449 A HN 0.143 nan 8.150 nan 0.000 0.445 450 P HA -0.164 nan 4.420 nan 0.000 0.214 450 P C 1.838 179.154 177.300 0.027 0.000 1.163 450 P CA 0.826 63.941 63.100 0.024 0.000 0.883 450 P CB -0.144 31.570 31.700 0.024 0.000 0.788 451 L N 0.026 121.267 121.223 0.031 0.000 1.994 451 L HA -0.153 4.188 4.340 0.001 0.000 0.208 451 L C 2.155 179.046 176.870 0.035 0.000 1.071 451 L CA 2.105 56.968 54.840 0.038 0.000 0.745 451 L CB -0.978 41.108 42.059 0.045 0.000 0.892 451 L HN -0.046 nan 8.230 nan 0.000 0.431 452 R N -0.750 119.767 120.500 0.028 0.000 2.127 452 R HA -0.171 4.169 4.340 0.001 0.000 0.238 452 R C 2.144 178.457 176.300 0.022 0.000 1.134 452 R CA 1.217 57.331 56.100 0.023 0.000 0.975 452 R CB -0.101 30.211 30.300 0.019 0.000 0.865 452 R HN 0.537 nan 8.270 nan 0.000 0.447 453 Q N 0.321 120.134 119.800 0.022 0.000 2.187 453 Q HA -0.009 4.331 4.340 0.001 0.000 0.199 453 Q C 2.177 178.190 176.000 0.021 0.000 0.957 453 Q CA 0.942 56.757 55.803 0.020 0.000 0.857 453 Q CB 0.030 28.779 28.738 0.018 0.000 0.929 453 Q HN 0.405 nan 8.270 nan 0.000 0.453 454 I N 0.004 120.589 120.570 0.024 0.000 2.127 454 I HA -0.262 3.908 4.170 0.001 0.000 0.241 454 I C 2.213 178.348 176.117 0.031 0.000 1.075 454 I CA 1.001 62.317 61.300 0.026 0.000 1.334 454 I CB -0.344 37.674 38.000 0.029 0.000 1.040 454 I HN -0.046 nan 8.210 nan 0.000 0.405 455 V N 0.516 120.452 119.914 0.037 0.000 2.490 455 V HA -0.239 3.881 4.120 0.001 0.000 0.250 455 V C 2.274 178.384 176.094 0.027 0.000 1.061 455 V CA 1.356 63.680 62.300 0.039 0.000 1.064 455 V CB -0.451 31.393 31.823 0.034 0.000 0.670 455 V HN 0.358 nan 8.190 nan 0.000 0.461 456 L N 0.274 121.510 121.223 0.021 0.000 2.156 456 L HA -0.036 4.304 4.340 0.001 0.000 0.208 456 L C 2.135 179.015 176.870 0.016 0.000 1.095 456 L CA 1.696 56.546 54.840 0.016 0.000 0.770 456 L CB -0.873 41.194 42.059 0.014 0.000 0.914 456 L HN 0.296 nan 8.230 nan 0.000 0.439 457 N N -0.868 117.842 118.700 0.016 0.000 2.120 457 N HA -0.213 4.527 4.740 0.001 0.000 0.188 457 N C 1.819 177.337 175.510 0.014 0.000 1.024 457 N CA 1.894 54.952 53.050 0.014 0.000 0.852 457 N CB -0.250 38.244 38.487 0.013 0.000 1.003 457 N HN 0.452 nan 8.380 nan 0.000 0.424 458 C N -0.437 118.875 119.300 0.020 0.000 2.413 458 C HA -0.038 4.422 4.460 0.001 0.000 0.276 458 C C 1.996 176.998 174.990 0.021 0.000 1.236 458 C CA 1.085 60.116 59.018 0.023 0.000 1.735 458 C CB -1.247 26.516 27.740 0.040 0.000 2.031 458 C HN 0.725 nan 8.230 nan 0.000 0.474 459 G N 0.037 108.849 108.800 0.020 0.000 2.176 459 G HA2 -0.194 3.766 3.960 0.001 0.000 0.232 459 G HA3 -0.194 3.766 3.960 0.001 0.000 0.232 459 G C -0.208 174.703 174.900 0.018 0.000 0.986 459 G CA 0.362 45.472 45.100 0.017 0.000 0.643 459 G HN 0.575 nan 8.290 nan 0.000 0.522 460 E N 0.774 120.989 120.200 0.025 0.000 2.410 460 E HA 0.441 4.791 4.350 0.001 0.000 0.255 460 E C 0.479 177.084 176.600 0.008 0.000 1.194 460 E CA -0.031 56.382 56.400 0.021 0.000 0.955 460 E CB 0.502 30.226 29.700 0.040 0.000 0.988 460 E HN 0.423 nan 8.360 nan 0.000 0.461 461 E N 2.020 122.217 120.200 -0.005 0.000 2.166 461 E HA 0.020 4.370 4.350 0.001 0.000 0.279 461 E C -1.732 174.861 176.600 -0.012 0.000 1.095 461 E CA -1.470 54.925 56.400 -0.007 0.000 0.888 461 E CB 0.711 30.406 29.700 -0.008 0.000 1.041 461 E HN 0.319 nan 8.360 nan 0.000 0.414 462 P HA -0.218 nan 4.420 nan 0.000 0.216 462 P C 1.474 178.774 177.300 -0.000 0.000 1.150 462 P CA 1.220 64.322 63.100 0.002 0.000 0.837 462 P CB 0.221 31.926 31.700 0.009 0.000 0.786 463 S N -0.897 114.802 115.700 -0.001 0.000 2.353 463 S HA -0.151 4.319 4.470 0.001 0.000 0.222 463 S C 2.032 176.628 174.600 -0.006 0.000 1.035 463 S CA 1.749 59.948 58.200 -0.001 0.000 1.025 463 S CB -1.802 61.397 63.200 -0.002 0.000 0.902 463 S HN -0.039 nan 8.310 nan 0.000 0.440 464 V N 1.846 121.752 119.914 -0.014 0.000 2.270 464 V HA -0.120 4.001 4.120 0.001 0.000 0.245 464 V C 2.718 178.795 176.094 -0.028 0.000 1.043 464 V CA 1.694 63.981 62.300 -0.021 0.000 1.014 464 V CB -0.861 30.947 31.823 -0.025 0.000 0.645 464 V HN 0.459 nan 8.190 nan 0.000 0.447 465 V N 0.360 120.241 119.914 -0.055 0.000 2.358 465 V HA -0.222 3.899 4.120 0.001 0.000 0.246 465 V C 2.713 178.811 176.094 0.006 0.000 1.047 465 V CA 1.876 64.123 62.300 -0.089 0.000 1.035 465 V CB -1.182 30.543 31.823 -0.163 0.000 0.658 465 V HN 0.546 nan 8.190 nan 0.000 0.452 466 A N 0.349 123.178 122.820 0.015 0.000 1.902 466 A HA -0.227 4.093 4.320 0.001 0.000 0.217 466 A C 2.079 179.688 177.584 0.041 0.000 1.181 466 A CA 2.049 54.108 52.037 0.036 0.000 0.623 466 A CB -0.582 18.433 19.000 0.025 0.000 0.818 466 A HN 0.613 nan 8.150 nan 0.000 0.443 467 N N -0.594 118.119 118.700 0.022 0.000 2.416 467 N HA -0.095 4.645 4.740 0.001 0.000 0.177 467 N C 1.864 177.378 175.510 0.007 0.000 1.036 467 N CA 1.679 54.736 53.050 0.012 0.000 0.901 467 N CB -0.232 38.254 38.487 -0.003 0.000 0.976 467 N HN 0.739 nan 8.380 nan 0.000 0.444 468 T N -1.141 113.420 114.554 0.012 0.000 2.770 468 T HA -0.016 4.334 4.350 0.001 0.000 0.263 468 T C 2.225 176.997 174.700 0.121 0.000 1.039 468 T CA 0.731 62.819 62.100 -0.021 0.000 1.142 468 T CB -0.774 68.024 68.868 -0.116 0.000 0.868 468 T HN -0.169 nan 8.240 nan 0.000 0.435 469 V N 2.187 122.239 119.914 0.230 0.000 2.282 469 V HA -0.213 3.908 4.120 0.001 0.000 0.249 469 V C 2.809 179.035 176.094 0.219 0.000 1.057 469 V CA 2.066 64.546 62.300 0.300 0.000 1.032 469 V CB -0.632 31.322 31.823 0.219 0.000 0.645 469 V HN 0.524 nan 8.190 nan 0.000 0.447 470 K N -0.142 120.326 120.400 0.114 0.000 2.148 470 K HA -0.080 4.241 4.320 0.001 0.000 0.204 470 K C 2.170 178.781 176.600 0.018 0.000 1.050 470 K CA 1.265 57.590 56.287 0.063 0.000 0.942 470 K CB -0.484 32.038 32.500 0.036 0.000 0.724 470 K HN 0.581 nan 8.250 nan 0.000 0.446 471 G N 1.036 109.831 108.800 -0.009 0.000 2.408 471 G HA2 -0.059 3.901 3.960 0.001 0.000 0.215 471 G HA3 -0.059 3.901 3.960 0.001 0.000 0.215 471 G C 0.729 175.520 174.900 -0.181 0.000 1.156 471 G CA 0.440 45.492 45.100 -0.080 0.000 0.793 471 G HN 0.350 nan 8.290 nan 0.000 0.535 472 G N -0.263 108.359 108.800 -0.297 0.000 2.572 472 G HA2 0.450 4.410 3.960 0.001 0.000 0.261 472 G HA3 0.450 4.410 3.960 0.001 0.000 0.261 472 G C -1.028 173.681 174.900 -0.319 0.000 1.197 472 G CA -0.425 44.235 45.100 -0.732 0.000 0.870 472 G HN 0.130 nan 8.290 nan 0.000 0.548 473 D N -0.296 119.934 120.400 -0.285 0.000 2.185 473 D HA 0.509 5.150 4.640 0.001 0.000 0.247 473 D C 1.059 177.384 176.300 0.043 0.000 1.027 473 D CA 0.822 54.777 54.000 -0.074 0.000 0.861 473 D CB 1.710 42.458 40.800 -0.087 0.000 1.202 473 D HN 0.755 nan 8.370 nan 0.000 0.453 474 G N 3.241 112.072 108.800 0.052 0.000 2.565 474 G HA2 -0.392 3.568 3.960 0.001 0.000 0.295 474 G HA3 -0.392 3.568 3.960 0.001 0.000 0.295 474 G C 0.805 175.765 174.900 0.100 0.000 1.165 474 G CA 0.487 45.626 45.100 0.064 0.000 0.977 474 G HN 0.548 nan 8.290 nan 0.000 0.546 475 N N 0.128 118.890 118.700 0.103 0.000 2.571 475 N HA 0.161 4.901 4.740 0.001 0.000 0.189 475 N C 0.744 176.347 175.510 0.155 0.000 1.154 475 N CA 0.654 53.766 53.050 0.103 0.000 0.907 475 N CB -0.042 38.489 38.487 0.073 0.000 0.977 475 N HN 0.533 nan 8.380 nan 0.000 0.449 476 Y N 0.709 121.039 120.300 0.051 0.000 2.597 476 Y HA 0.297 4.847 4.550 0.001 0.000 0.336 476 Y C 1.054 177.018 175.900 0.107 0.000 1.216 476 Y CA 0.625 58.772 58.100 0.078 0.000 1.463 476 Y CB 0.187 38.688 38.460 0.068 0.000 1.303 476 Y HN 0.055 nan 8.280 nan 0.000 0.576 477 G N 3.211 111.919 108.800 -0.153 0.000 2.578 477 G HA2 0.221 4.182 3.960 0.001 0.000 0.302 477 G HA3 0.221 4.182 3.960 0.001 0.000 0.302 477 G C -2.490 172.365 174.900 -0.074 0.000 1.243 477 G CA -0.848 44.245 45.100 -0.012 0.000 0.843 477 G HN 0.515 nan 8.290 nan 0.000 0.486 478 Y N 1.577 121.781 120.300 -0.160 0.000 2.328 478 Y HA 0.582 5.132 4.550 0.001 0.000 0.336 478 Y C -0.138 175.607 175.900 -0.259 0.000 0.960 478 Y CA -1.528 56.359 58.100 -0.355 0.000 1.134 478 Y CB 1.658 39.896 38.460 -0.369 0.000 1.166 478 Y HN 0.423 nan 8.280 nan 0.000 0.464 479 N N 4.786 123.097 118.700 -0.648 0.000 2.421 479 N HA 0.104 4.844 4.740 0.001 0.000 0.260 479 N C 0.440 175.429 175.510 -0.868 0.000 1.173 479 N CA 0.616 53.326 53.050 -0.565 0.000 0.960 479 N CB 1.077 39.331 38.487 -0.387 0.000 1.273 479 N HN 0.874 nan 8.380 nan 0.000 0.497 480 A N 2.974 125.438 122.820 -0.594 0.000 2.248 480 A HA 0.093 4.413 4.320 0.001 0.000 0.210 480 A C 1.737 179.167 177.584 -0.256 0.000 1.174 480 A CA 1.220 53.010 52.037 -0.411 0.000 0.750 480 A CB -0.084 18.870 19.000 -0.077 0.000 0.780 480 A HN 0.684 nan 8.150 nan 0.000 0.478 481 A N -0.826 121.845 122.820 -0.248 0.000 1.993 481 A HA 0.125 4.446 4.320 0.001 0.000 0.207 481 A C 2.273 179.759 177.584 -0.162 0.000 1.224 481 A CA 1.649 53.590 52.037 -0.159 0.000 0.749 481 A CB -0.623 18.304 19.000 -0.121 0.000 0.884 481 A HN 0.630 nan 8.150 nan 0.000 0.467 482 T N -3.269 111.157 114.554 -0.214 0.000 3.009 482 T HA 0.144 4.494 4.350 0.001 0.000 0.258 482 T C 0.336 174.913 174.700 -0.205 0.000 1.063 482 T CA 1.003 62.995 62.100 -0.179 0.000 1.139 482 T CB -0.262 68.509 68.868 -0.161 0.000 0.890 482 T HN 0.515 nan 8.240 nan 0.000 0.471 483 E N 1.488 121.467 120.200 -0.369 0.000 2.311 483 E HA -0.106 4.245 4.350 0.001 0.000 0.271 483 E C -0.313 176.119 176.600 -0.281 0.000 1.083 483 E CA 0.547 56.712 56.400 -0.391 0.000 0.780 483 E CB -1.582 28.067 29.700 -0.086 0.000 1.296 483 E HN 0.959 nan 8.360 nan 0.000 0.404 484 E N -0.854 119.035 120.200 -0.518 0.000 2.458 484 E HA 0.557 4.907 4.350 0.001 0.000 0.278 484 E C -1.026 175.327 176.600 -0.411 0.000 1.004 484 E CA -0.903 55.351 56.400 -0.244 0.000 0.823 484 E CB 1.121 30.765 29.700 -0.093 0.000 1.396 484 E HN 0.031 nan 8.360 nan 0.000 0.463 485 Y N -0.573 119.742 120.300 0.025 0.000 2.545 485 Y HA 0.771 5.321 4.550 0.001 0.000 0.324 485 Y C 0.900 176.652 175.900 -0.247 0.000 1.220 485 Y CA 0.540 58.552 58.100 -0.146 0.000 1.290 485 Y CB 2.132 40.511 38.460 -0.135 0.000 1.355 485 Y HN 0.932 nan 8.280 nan 0.000 0.516 486 G N 0.279 108.873 108.800 -0.345 0.000 2.356 486 G HA2 -0.036 3.924 3.960 0.001 0.000 0.288 486 G HA3 -0.036 3.924 3.960 0.001 0.000 0.288 486 G C -1.851 172.951 174.900 -0.162 0.000 1.302 486 G CA -1.297 43.704 45.100 -0.165 0.000 0.887 486 G HN 0.543 nan 8.290 nan 0.000 0.521 487 N N 0.979 119.690 118.700 0.017 0.000 2.438 487 N HA 0.084 4.824 4.740 0.001 0.000 0.267 487 N C 1.890 177.394 175.510 -0.010 0.000 1.222 487 N CA -0.307 52.768 53.050 0.042 0.000 0.930 487 N CB 0.641 39.168 38.487 0.067 0.000 1.083 487 N HN 0.415 nan 8.380 nan 0.000 0.476 488 M N 3.635 123.229 119.600 -0.010 0.000 2.202 488 M HA -0.155 4.325 4.480 0.001 0.000 0.262 488 M C 1.440 177.731 176.300 -0.015 0.000 1.063 488 M CA 0.955 56.241 55.300 -0.024 0.000 1.097 488 M CB -0.509 32.087 32.600 -0.006 0.000 1.382 488 M HN 0.543 nan 8.290 nan 0.000 0.413 489 I N 0.070 120.641 120.570 0.001 0.000 2.394 489 I HA -0.239 3.932 4.170 0.001 0.000 0.251 489 I C 1.557 177.671 176.117 -0.005 0.000 1.136 489 I CA 1.380 62.681 61.300 0.001 0.000 1.425 489 I CB -1.246 36.760 38.000 0.011 0.000 1.079 489 I HN 0.294 nan 8.210 nan 0.000 0.425 490 D N -0.276 120.121 120.400 -0.005 0.000 2.392 490 D HA 0.108 4.749 4.640 0.001 0.000 0.206 490 D C 2.176 178.463 176.300 -0.022 0.000 1.046 490 D CA 0.269 54.264 54.000 -0.008 0.000 0.865 490 D CB 0.370 41.172 40.800 0.003 0.000 0.969 490 D HN 0.283 nan 8.370 nan 0.000 0.509 491 M N 0.079 119.658 119.600 -0.036 0.000 2.630 491 M HA 0.079 4.560 4.480 0.001 0.000 0.254 491 M C 0.800 177.065 176.300 -0.058 0.000 1.092 491 M CA 0.611 55.875 55.300 -0.059 0.000 1.087 491 M CB 0.287 32.832 32.600 -0.091 0.000 1.453 491 M HN 0.031 nan 8.290 nan 0.000 0.509 492 G N 2.431 111.207 108.800 -0.041 0.000 2.248 492 G HA2 -0.214 3.746 3.960 0.001 0.000 0.252 492 G HA3 -0.214 3.746 3.960 0.001 0.000 0.252 492 G C -0.266 174.610 174.900 -0.039 0.000 1.085 492 G CA -0.382 44.696 45.100 -0.036 0.000 0.845 492 G HN 0.527 nan 8.290 nan 0.000 0.494 493 I N 0.377 120.925 120.570 -0.036 0.000 2.521 493 I HA 0.419 4.589 4.170 0.001 0.000 0.277 493 I C 0.375 176.481 176.117 -0.017 0.000 1.054 493 I CA -0.734 60.547 61.300 -0.032 0.000 1.117 493 I CB 1.136 39.108 38.000 -0.046 0.000 1.217 493 I HN -0.015 nan 8.210 nan 0.000 0.469 494 L N 4.279 125.495 121.223 -0.012 0.000 2.352 494 L HA 0.548 4.888 4.340 0.001 0.000 0.269 494 L C -0.624 176.245 176.870 -0.001 0.000 1.034 494 L CA -0.632 54.206 54.840 -0.004 0.000 0.806 494 L CB 1.555 43.612 42.059 -0.004 0.000 1.244 494 L HN 0.408 nan 8.230 nan 0.000 0.447 495 D N 1.716 122.118 120.400 0.003 0.000 2.344 495 D HA 0.307 4.947 4.640 0.001 0.000 0.239 495 D C -2.485 173.818 176.300 0.005 0.000 1.064 495 D CA -1.168 52.835 54.000 0.005 0.000 0.829 495 D CB 1.632 42.437 40.800 0.009 0.000 1.129 495 D HN 0.114 nan 8.370 nan 0.000 0.506 496 P HA 0.064 nan 4.420 nan 0.000 0.276 496 P C 0.638 177.941 177.300 0.005 0.000 1.264 496 P CA -0.255 62.848 63.100 0.005 0.000 0.769 496 P CB 1.085 32.788 31.700 0.006 0.000 0.840 497 T N 2.961 117.517 114.554 0.003 0.000 2.624 497 T HA -0.238 4.112 4.350 0.001 0.000 0.268 497 T C 1.647 176.345 174.700 -0.003 0.000 1.041 497 T CA 1.454 63.554 62.100 -0.000 0.000 1.159 497 T CB -0.373 68.494 68.868 -0.001 0.000 0.863 497 T HN 0.450 nan 8.240 nan 0.000 0.434 498 K N 0.803 121.203 120.400 -0.000 0.000 2.147 498 K HA -0.100 4.221 4.320 0.001 0.000 0.205 498 K C 2.497 179.097 176.600 0.001 0.000 1.049 498 K CA 1.412 57.698 56.287 -0.003 0.000 0.936 498 K CB -0.333 32.172 32.500 0.008 0.000 0.722 498 K HN 0.433 nan 8.250 nan 0.000 0.446 499 V N -1.574 118.347 119.914 0.012 0.000 2.323 499 V HA -0.137 3.983 4.120 0.001 0.000 0.244 499 V C 1.861 177.965 176.094 0.017 0.000 1.041 499 V CA 2.070 64.385 62.300 0.025 0.000 1.025 499 V CB -0.866 30.974 31.823 0.029 0.000 0.656 499 V HN 0.139 nan 8.190 nan 0.000 0.451 500 T N 0.339 114.898 114.554 0.008 0.000 2.821 500 T HA -0.075 4.275 4.350 0.001 0.000 0.267 500 T C 2.090 176.780 174.700 -0.017 0.000 1.046 500 T CA 1.620 63.722 62.100 0.003 0.000 1.139 500 T CB -0.419 68.452 68.868 0.005 0.000 0.871 500 T HN 0.431 nan 8.240 nan 0.000 0.454 501 R N 1.440 121.922 120.500 -0.029 0.000 2.080 501 R HA -0.076 4.264 4.340 0.001 0.000 0.236 501 R C 2.426 178.657 176.300 -0.116 0.000 1.137 501 R CA 1.919 57.984 56.100 -0.058 0.000 0.943 501 R CB -0.814 29.456 30.300 -0.050 0.000 0.846 501 R HN 0.334 nan 8.270 nan 0.000 0.431 502 S N 0.662 116.286 115.700 -0.127 0.000 2.368 502 S HA -0.047 4.424 4.470 0.001 0.000 0.224 502 S C 2.081 176.542 174.600 -0.232 0.000 1.029 502 S CA 1.019 59.051 58.200 -0.280 0.000 0.988 502 S CB -0.262 62.870 63.200 -0.114 0.000 0.838 502 S HN 0.543 nan 8.310 nan 0.000 0.462 503 A N 2.159 124.969 122.820 -0.017 0.000 1.908 503 A HA -0.057 4.264 4.320 0.001 0.000 0.218 503 A C 2.095 179.691 177.584 0.020 0.000 1.181 503 A CA 1.203 53.277 52.037 0.063 0.000 0.627 503 A CB -0.768 18.266 19.000 0.056 0.000 0.818 503 A HN 0.433 nan 8.150 nan 0.000 0.445 504 L N -0.267 120.939 121.223 -0.029 0.000 2.017 504 L HA -0.210 4.130 4.340 0.001 0.000 0.208 504 L C 2.448 179.283 176.870 -0.058 0.000 1.073 504 L CA 2.442 57.264 54.840 -0.030 0.000 0.745 504 L CB -1.316 40.724 42.059 -0.032 0.000 0.894 504 L HN 0.546 nan 8.230 nan 0.000 0.432 505 Q N -1.079 118.631 119.800 -0.151 0.000 2.030 505 Q HA -0.256 4.085 4.340 0.001 0.000 0.204 505 Q C 2.096 178.026 176.000 -0.116 0.000 0.986 505 Q CA 2.261 57.945 55.803 -0.197 0.000 0.843 505 Q CB -0.326 28.184 28.738 -0.380 0.000 0.904 505 Q HN 0.493 nan 8.270 nan 0.000 0.420 506 Y N 0.063 120.367 120.300 0.006 0.000 2.200 506 Y HA -0.167 4.383 4.550 0.001 0.000 0.290 506 Y C 2.383 178.287 175.900 0.006 0.000 1.137 506 Y CA 0.745 58.848 58.100 0.005 0.000 1.163 506 Y CB -1.078 37.385 38.460 0.005 0.000 0.988 506 Y HN 0.142 nan 8.280 nan 0.000 0.518 507 A N 0.368 123.277 122.820 0.148 0.000 1.859 507 A HA -0.203 4.118 4.320 0.001 0.000 0.217 507 A C 2.522 180.142 177.584 0.059 0.000 1.198 507 A CA 2.548 54.636 52.037 0.085 0.000 0.629 507 A CB -1.362 17.674 19.000 0.059 0.000 0.830 507 A HN 0.406 nan 8.150 nan 0.000 0.446 508 A N -1.266 121.577 122.820 0.040 0.000 1.930 508 A HA -0.057 4.264 4.320 0.001 0.000 0.217 508 A C 2.482 180.086 177.584 0.034 0.000 1.175 508 A CA 2.141 54.194 52.037 0.026 0.000 0.627 508 A CB -0.881 18.124 19.000 0.009 0.000 0.815 508 A HN 0.585 nan 8.150 nan 0.000 0.443 509 S N -0.742 114.987 115.700 0.049 0.000 2.383 509 S HA -0.103 4.367 4.470 0.001 0.000 0.227 509 S C 1.895 176.531 174.600 0.059 0.000 1.026 509 S CA 1.526 59.761 58.200 0.058 0.000 0.981 509 S CB -0.393 62.861 63.200 0.089 0.000 0.818 509 S HN 0.276 nan 8.310 nan 0.000 0.472 510 V N 1.968 121.923 119.914 0.069 0.000 2.307 510 V HA -0.074 4.046 4.120 0.001 0.000 0.245 510 V C 2.848 178.964 176.094 0.036 0.000 1.045 510 V CA 1.684 64.013 62.300 0.049 0.000 1.024 510 V CB -1.272 30.580 31.823 0.049 0.000 0.651 510 V HN 0.596 nan 8.190 nan 0.000 0.449 511 A N 0.567 123.409 122.820 0.036 0.000 1.858 511 A HA -0.119 4.201 4.320 0.001 0.000 0.216 511 A C 2.390 179.989 177.584 0.025 0.000 1.190 511 A CA 1.996 54.050 52.037 0.028 0.000 0.617 511 A CB -1.300 17.716 19.000 0.027 0.000 0.827 511 A HN 0.539 nan 8.150 nan 0.000 0.443 512 G N -0.806 108.009 108.800 0.025 0.000 2.509 512 G HA2 -0.015 3.946 3.960 0.001 0.000 0.218 512 G HA3 -0.015 3.946 3.960 0.001 0.000 0.218 512 G C 1.470 176.382 174.900 0.021 0.000 1.124 512 G CA 0.926 46.038 45.100 0.021 0.000 0.776 512 G HN 0.429 nan 8.290 nan 0.000 0.547 513 L N -0.642 120.595 121.223 0.023 0.000 2.102 513 L HA 0.188 4.528 4.340 0.001 0.000 0.202 513 L C 2.792 179.673 176.870 0.019 0.000 1.076 513 L CA 0.619 55.471 54.840 0.020 0.000 0.761 513 L CB -0.324 41.748 42.059 0.021 0.000 0.921 513 L HN 0.194 nan 8.230 nan 0.000 0.444 514 M N 0.858 120.470 119.600 0.020 0.000 2.202 514 M HA -0.212 4.269 4.480 0.001 0.000 0.262 514 M C 2.273 178.585 176.300 0.020 0.000 1.063 514 M CA 1.803 57.114 55.300 0.019 0.000 1.097 514 M CB -0.194 32.417 32.600 0.019 0.000 1.382 514 M HN 0.328 nan 8.290 nan 0.000 0.413 515 I N -1.753 118.829 120.570 0.021 0.000 2.657 515 I HA -0.170 4.000 4.170 0.001 0.000 0.261 515 I C 1.807 177.938 176.117 0.023 0.000 1.212 515 I CA 1.629 62.942 61.300 0.021 0.000 1.453 515 I CB -1.339 36.672 38.000 0.020 0.000 1.092 515 I HN 0.331 nan 8.210 nan 0.000 0.452 516 T N -1.850 112.717 114.554 0.022 0.000 3.148 516 T HA 0.100 4.450 4.350 0.001 0.000 0.253 516 T C 0.719 175.436 174.700 0.027 0.000 1.134 516 T CA -0.023 62.092 62.100 0.024 0.000 1.051 516 T CB -0.935 67.945 68.868 0.021 0.000 0.959 516 T HN 0.315 nan 8.240 nan 0.000 0.525 517 T N 2.533 117.103 114.554 0.027 0.000 2.749 517 T HA 0.341 4.691 4.350 0.001 0.000 0.295 517 T C 0.499 175.223 174.700 0.040 0.000 0.936 517 T CA -0.363 61.752 62.100 0.026 0.000 1.060 517 T CB 1.529 70.409 68.868 0.021 0.000 0.904 517 T HN 0.214 nan 8.240 nan 0.000 0.500 518 E N 1.013 121.244 120.200 0.052 0.000 2.562 518 E HA 0.275 4.625 4.350 0.001 0.000 0.214 518 E C -0.245 176.406 176.600 0.085 0.000 0.979 518 E CA -0.141 56.318 56.400 0.099 0.000 1.002 518 E CB 0.394 30.180 29.700 0.143 0.000 1.048 518 E HN 0.640 nan 8.360 nan 0.000 0.488 519 C N -0.324 118.948 119.300 -0.046 0.000 3.285 519 C HA 0.710 5.171 4.460 0.001 0.000 0.325 519 C C -1.733 173.167 174.990 -0.150 0.000 1.304 519 C CA -0.692 58.170 59.018 -0.260 0.000 1.319 519 C CB 0.695 28.028 27.740 -0.677 0.000 1.640 519 C HN 0.283 nan 8.230 nan 0.000 0.477 520 M N 3.377 122.906 119.600 -0.119 0.000 2.484 520 M HA 0.728 5.208 4.480 0.001 0.000 0.289 520 M C -1.350 174.969 176.300 0.033 0.000 1.206 520 M CA -0.586 54.724 55.300 0.017 0.000 0.892 520 M CB 2.266 35.005 32.600 0.232 0.000 1.712 520 M HN 0.385 nan 8.290 nan 0.000 0.462 521 V N 0.186 120.056 119.914 -0.074 0.000 2.888 521 V HA 0.882 5.002 4.120 0.001 0.000 0.309 521 V C -0.719 175.236 176.094 -0.231 0.000 1.114 521 V CA -0.501 61.740 62.300 -0.099 0.000 0.940 521 V CB 2.325 34.098 31.823 -0.084 0.000 1.021 521 V HN 0.956 nan 8.190 nan 0.000 0.426 522 T N 0.935 115.349 114.554 -0.233 0.000 2.830 522 T HA 0.284 4.634 4.350 0.001 0.000 0.322 522 T C -1.689 172.924 174.700 -0.145 0.000 1.501 522 T CA -0.575 61.361 62.100 -0.273 0.000 1.036 522 T CB 1.905 70.446 68.868 -0.546 0.000 1.379 522 T HN 0.739 nan 8.240 nan 0.000 0.493 523 D N 2.178 122.509 120.400 -0.114 0.000 2.400 523 D HA 0.213 4.854 4.640 0.001 0.000 0.238 523 D C 0.674 176.942 176.300 -0.053 0.000 1.157 523 D CA 0.096 54.058 54.000 -0.064 0.000 0.889 523 D CB 0.635 41.404 40.800 -0.052 0.000 1.199 523 D HN 0.432 nan 8.370 nan 0.000 0.436 524 L N 1.439 122.656 121.223 -0.010 0.000 2.492 524 L HA 0.379 4.719 4.340 0.001 0.000 0.280 524 L C -1.379 175.507 176.870 0.027 0.000 1.240 524 L CA -0.089 54.765 54.840 0.024 0.000 0.831 524 L CB -0.367 41.708 42.059 0.026 0.000 1.100 524 L HN 0.445 nan 8.230 nan 0.000 0.505 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 nan 63.100 nan 0.000 0.800 525 P CB 0.000 nan 31.700 nan 0.000 0.726