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 1jki_1_B DATA FIRST_RESID 10 DATA SEQUENCE TSVKVVTDKC TYKDNELLTK YSYENAVVTK TASGRFDVTP TVQDYVFKLD DATA SEQUENCE LKKPEKLGIM LIGLGGNNGS TLVASVLANK HNVEFQTKEG VKQPNYFGSM DATA SEQUENCE TQCSTLKLGI DAEGNDVYAP FNSLLPMVSP NDFVVSGWDI NNADLYEAMQ DATA SEQUENCE RSQVLEYDLQ QRLKAKMSLV KPLPSIYYPD FIAANQDERA NNCINLDEKG DATA SEQUENCE NVTTRGKWTH LQRIRRDIQN FKEENALDKV IVLWTANTER YVEVSPGVND DATA SEQUENCE TMENLLQSIK NDHEEIAPST IFAAASILEG VPYINGSPQN TFVPGLVQLA DATA SEQUENCE EHEGTFIAGD DLKSGQTKLK SVLAQFLVDA GIKPVSIASY NHLGNNDGYN DATA SEQUENCE LSAPKQFRSK EISKSSVIDD IIASNDILYN DKLGKKVDHC IVIKYMKPVG DATA SEQUENCE DSKVAMDEYY SELMLGGHNR ISIHNVCEDS LLATPLIIDL LVMTEFCTRV DATA SEQUENCE SYKKVDPVKE DAGKFENFYP VLTFLSYWLK APLTRPGFHP VNGLNKQRTA DATA SEQUENCE LENFLRLLIG LPSQNELRFE ERLL 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.704 174.700 0.006 0.000 1.109 10 T CA 0.000 62.107 62.100 0.012 0.000 1.349 10 T CB 0.000 68.880 68.868 0.020 0.000 0.612 11 S N 0.808 116.509 115.700 0.001 0.000 2.596 11 S HA 0.855 5.308 4.470 -0.029 0.000 0.270 11 S C -1.598 172.998 174.600 -0.007 0.000 1.155 11 S CA -0.568 57.629 58.200 -0.004 0.000 0.827 11 S CB 1.710 64.904 63.200 -0.011 0.000 1.130 11 S HN 0.713 nan 8.310 nan 0.000 0.467 12 V N 3.095 123.003 119.914 -0.009 0.000 2.540 12 V HA 0.666 4.769 4.120 -0.029 0.000 0.302 12 V C -0.820 175.275 176.094 0.002 0.000 1.035 12 V CA -0.698 61.597 62.300 -0.008 0.000 0.873 12 V CB 1.757 33.569 31.823 -0.019 0.000 0.992 12 V HN 0.750 nan 8.190 nan 0.000 0.428 13 K N 4.228 124.631 120.400 0.004 0.000 2.507 13 K HA 0.562 4.864 4.320 -0.029 0.000 0.253 13 K C -1.348 175.270 176.600 0.029 0.000 0.969 13 K CA -0.481 55.817 56.287 0.018 0.000 0.908 13 K CB 1.494 33.995 32.500 0.003 0.000 1.127 13 K HN 0.469 nan 8.250 nan 0.000 0.437 14 V N 6.323 126.268 119.914 0.051 0.000 2.370 14 V HA 0.483 4.586 4.120 -0.029 0.000 0.283 14 V C -0.499 175.631 176.094 0.060 0.000 1.023 14 V CA -0.787 61.539 62.300 0.044 0.000 0.857 14 V CB 1.402 33.241 31.823 0.027 0.000 0.985 14 V HN 0.562 nan 8.190 nan 0.000 0.443 15 V N 5.152 125.093 119.914 0.045 0.000 2.403 15 V HA 0.704 4.807 4.120 -0.029 0.000 0.265 15 V C 0.012 176.131 176.094 0.041 0.000 1.034 15 V CA 1.120 63.448 62.300 0.046 0.000 1.036 15 V CB 0.083 31.927 31.823 0.035 0.000 1.032 15 V HN 1.240 nan 8.190 nan 0.000 0.478 16 T N 2.331 116.912 114.554 0.045 0.000 2.840 16 T HA 0.482 4.815 4.350 -0.029 0.000 0.317 16 T C -0.209 174.511 174.700 0.033 0.000 1.401 16 T CA 0.120 62.243 62.100 0.038 0.000 1.028 16 T CB 2.039 70.930 68.868 0.038 0.000 1.317 16 T HN 0.813 nan 8.240 nan 0.000 0.495 17 D N 0.728 121.146 120.400 0.031 0.000 2.368 17 D HA 0.243 4.866 4.640 -0.029 0.000 0.218 17 D C 1.127 177.442 176.300 0.024 0.000 1.112 17 D CA -0.298 53.717 54.000 0.025 0.000 0.834 17 D CB 0.327 41.142 40.800 0.025 0.000 0.953 17 D HN 0.476 nan 8.370 nan 0.000 0.505 18 K N -0.246 120.172 120.400 0.031 0.000 2.365 18 K HA 0.120 4.422 4.320 -0.029 0.000 0.197 18 K C -0.163 176.446 176.600 0.015 0.000 1.042 18 K CA 0.212 56.525 56.287 0.044 0.000 0.987 18 K CB 0.272 32.819 32.500 0.077 0.000 0.779 18 K HN 0.228 nan 8.250 nan 0.000 0.484 19 C N 2.207 121.487 119.300 -0.033 0.000 2.319 19 C HA 0.357 4.800 4.460 -0.029 0.000 0.323 19 C C 0.335 175.195 174.990 -0.217 0.000 1.277 19 C CA -0.975 57.958 59.018 -0.141 0.000 1.517 19 C CB 0.808 28.430 27.740 -0.197 0.000 2.206 19 C HN 0.306 nan 8.230 nan 0.000 0.486 20 T N 0.034 114.438 114.554 -0.250 0.000 2.824 20 T HA 0.522 4.855 4.350 -0.029 0.000 0.282 20 T C -1.018 173.476 174.700 -0.343 0.000 0.993 20 T CA -0.448 61.525 62.100 -0.211 0.000 0.967 20 T CB 0.682 69.514 68.868 -0.060 0.000 0.960 20 T HN 0.495 nan 8.240 nan 0.000 0.441 21 Y N 2.159 122.464 120.300 0.008 0.000 2.595 21 Y HA 0.381 4.914 4.550 -0.029 0.000 0.347 21 Y C 1.273 177.169 175.900 -0.006 0.000 1.025 21 Y CA -0.652 57.446 58.100 -0.004 0.000 1.295 21 Y CB 0.620 39.076 38.460 -0.006 0.000 1.147 21 Y HN 0.717 nan 8.280 nan 0.000 0.515 22 K N 1.378 121.818 120.400 0.066 0.000 3.098 22 K HA -0.057 4.245 4.320 -0.029 0.000 0.297 22 K C 1.452 178.083 176.600 0.052 0.000 1.088 22 K CA 0.919 57.234 56.287 0.047 0.000 1.451 22 K CB -0.085 32.421 32.500 0.009 0.000 1.804 22 K HN 0.673 nan 8.250 nan 0.000 0.594 23 D N -0.555 119.858 120.400 0.021 0.000 2.242 23 D HA -0.271 4.352 4.640 -0.029 0.000 0.193 23 D C 0.089 176.403 176.300 0.023 0.000 1.005 23 D CA 2.070 56.078 54.000 0.014 0.000 0.856 23 D CB -0.187 40.611 40.800 -0.004 0.000 1.001 23 D HN 0.476 nan 8.370 nan 0.000 0.452 24 N N -1.214 117.498 118.700 0.019 0.000 2.609 24 N HA 0.227 4.950 4.740 -0.029 0.000 0.251 24 N C -1.784 173.732 175.510 0.009 0.000 1.526 24 N CA -0.233 52.830 53.050 0.021 0.000 0.931 24 N CB 0.641 39.127 38.487 -0.003 0.000 1.460 24 N HN 0.134 nan 8.380 nan 0.000 0.526 25 E N 0.789 121.003 120.200 0.023 0.000 2.356 25 E HA 0.549 4.882 4.350 -0.029 0.000 0.275 25 E C -1.928 174.668 176.600 -0.006 0.000 0.904 25 E CA -0.774 55.607 56.400 -0.031 0.000 0.757 25 E CB 1.910 31.566 29.700 -0.073 0.000 1.232 25 E HN 0.147 nan 8.360 nan 0.000 0.442 26 L N 3.866 125.050 121.223 -0.066 0.000 2.341 26 L HA 0.617 4.940 4.340 -0.029 0.000 0.278 26 L C -1.852 174.933 176.870 -0.143 0.000 1.005 26 L CA -0.380 54.362 54.840 -0.163 0.000 0.818 26 L CB 1.095 43.062 42.059 -0.153 0.000 1.259 26 L HN 0.589 nan 8.230 nan 0.000 0.418 27 L N 4.869 126.001 121.223 -0.153 0.000 2.313 27 L HA 0.643 4.966 4.340 -0.029 0.000 0.283 27 L C -0.446 176.413 176.870 -0.018 0.000 1.013 27 L CA -0.248 54.572 54.840 -0.034 0.000 0.816 27 L CB 1.972 44.039 42.059 0.013 0.000 1.236 27 L HN 0.638 nan 8.230 nan 0.000 0.419 28 T N 2.657 117.261 114.554 0.084 0.000 2.848 28 T HA 0.358 4.690 4.350 -0.029 0.000 0.285 28 T C -0.424 174.399 174.700 0.204 0.000 0.995 28 T CA -0.745 61.424 62.100 0.116 0.000 0.970 28 T CB 1.872 70.815 68.868 0.126 0.000 0.976 28 T HN 0.205 nan 8.240 nan 0.000 0.441 29 K N 2.412 122.914 120.400 0.171 0.000 2.143 29 K HA 0.469 4.771 4.320 -0.029 0.000 0.272 29 K C -1.375 175.426 176.600 0.336 0.000 1.001 29 K CA -0.550 55.859 56.287 0.204 0.000 0.915 29 K CB 1.348 33.920 32.500 0.120 0.000 1.047 29 K HN 0.779 nan 8.250 nan 0.000 0.458 30 Y N -0.126 120.319 120.300 0.243 0.000 2.479 30 Y HA 0.177 4.710 4.550 -0.029 0.000 0.338 30 Y C -1.000 175.085 175.900 0.308 0.000 1.055 30 Y CA -0.501 57.783 58.100 0.306 0.000 1.023 30 Y CB 1.932 40.679 38.460 0.479 0.000 1.287 30 Y HN 0.479 nan 8.280 nan 0.000 0.447 31 S N 6.184 121.599 115.700 -0.475 0.000 2.423 31 S HA 0.232 4.685 4.470 -0.029 0.000 0.317 31 S C -1.235 172.955 174.600 -0.684 0.000 1.065 31 S CA -0.371 57.570 58.200 -0.432 0.000 1.111 31 S CB -0.204 62.864 63.200 -0.220 0.000 0.968 31 S HN 0.652 nan 8.310 nan 0.000 0.474 32 Y N 4.812 124.875 120.300 -0.395 0.000 2.613 32 Y HA 0.215 4.748 4.550 -0.029 0.000 0.354 32 Y C 0.422 176.321 175.900 -0.001 0.000 1.063 32 Y CA -0.268 57.794 58.100 -0.063 0.000 1.384 32 Y CB 0.069 38.755 38.460 0.377 0.000 1.199 32 Y HN 0.589 nan 8.280 nan 0.000 0.517 33 E N 4.590 124.561 120.200 -0.382 0.000 2.266 33 E HA 0.229 4.562 4.350 -0.029 0.000 0.277 33 E C -0.661 175.634 176.600 -0.508 0.000 1.018 33 E CA -0.660 55.517 56.400 -0.371 0.000 0.840 33 E CB 1.377 30.970 29.700 -0.179 0.000 1.082 33 E HN 0.609 nan 8.360 nan 0.000 0.395 34 N N 0.430 118.900 118.700 -0.384 0.000 3.526 34 N HA 0.684 5.407 4.740 -0.029 0.000 0.328 34 N C -2.120 173.314 175.510 -0.126 0.000 1.601 34 N CA -0.424 52.472 53.050 -0.257 0.000 0.834 34 N CB 1.787 40.110 38.487 -0.275 0.000 1.983 34 N HN 0.496 nan 8.380 nan 0.000 0.579 35 A N -0.191 122.589 122.820 -0.066 0.000 2.594 35 A HA 0.617 4.919 4.320 -0.029 0.000 0.296 35 A C -1.762 175.815 177.584 -0.011 0.000 1.061 35 A CA -0.411 51.605 52.037 -0.035 0.000 0.689 35 A CB 0.909 19.890 19.000 -0.031 0.000 1.280 35 A HN 0.270 nan 8.150 nan 0.000 0.406 36 V N 1.313 121.225 119.914 -0.004 0.000 2.604 36 V HA 0.699 4.801 4.120 -0.029 0.000 0.305 36 V C -0.560 175.546 176.094 0.019 0.000 1.043 36 V CA -0.437 61.867 62.300 0.006 0.000 0.888 36 V CB 1.843 33.667 31.823 0.002 0.000 0.995 36 V HN 0.862 nan 8.190 nan 0.000 0.429 37 V N 3.250 123.185 119.914 0.035 0.000 2.735 37 V HA 0.791 4.893 4.120 -0.029 0.000 0.310 37 V C -0.066 176.074 176.094 0.077 0.000 1.061 37 V CA -0.517 61.828 62.300 0.075 0.000 0.913 37 V CB 2.359 34.247 31.823 0.108 0.000 1.005 37 V HN 1.006 nan 8.190 nan 0.000 0.428 38 T N 0.616 115.220 114.554 0.083 0.000 2.906 38 T HA 0.755 5.088 4.350 -0.029 0.000 0.295 38 T C -0.916 173.800 174.700 0.027 0.000 1.075 38 T CA -0.934 61.191 62.100 0.041 0.000 1.005 38 T CB 2.357 71.232 68.868 0.010 0.000 1.136 38 T HN 0.649 nan 8.240 nan 0.000 0.498 39 K N 0.687 121.057 120.400 -0.050 0.000 2.270 39 K HA 0.504 4.807 4.320 -0.029 0.000 0.255 39 K C 1.413 177.916 176.600 -0.161 0.000 0.936 39 K CA -0.446 55.715 56.287 -0.209 0.000 0.809 39 K CB 1.405 33.702 32.500 -0.339 0.000 1.131 39 K HN 0.843 nan 8.250 nan 0.000 0.427 40 T N 1.144 115.592 114.554 -0.177 0.000 2.643 40 T HA -0.051 4.281 4.350 -0.029 0.000 0.264 40 T C 1.235 175.873 174.700 -0.104 0.000 1.045 40 T CA 0.963 62.994 62.100 -0.115 0.000 1.155 40 T CB -0.444 68.360 68.868 -0.105 0.000 0.863 40 T HN 0.998 nan 8.240 nan 0.000 0.420 41 A N 0.165 122.907 122.820 -0.130 0.000 4.134 41 A HA -0.012 4.290 4.320 -0.029 0.000 0.186 41 A C 1.386 178.920 177.584 -0.083 0.000 1.242 41 A CA 0.900 52.879 52.037 -0.098 0.000 1.442 41 A CB -1.990 16.970 19.000 -0.067 0.000 0.911 41 A HN 1.349 nan 8.150 nan 0.000 0.760 42 S N -1.455 114.188 115.700 -0.094 0.000 2.780 42 S HA 0.503 4.956 4.470 -0.029 0.000 0.248 42 S C 1.783 176.332 174.600 -0.085 0.000 1.036 42 S CA 1.205 59.364 58.200 -0.069 0.000 1.061 42 S CB 0.402 63.571 63.200 -0.051 0.000 1.037 42 S HN 2.432 nan 8.310 nan 0.000 0.584 43 G N 1.817 110.531 108.800 -0.143 0.000 2.137 43 G HA2 -0.273 3.669 3.960 -0.029 0.000 0.237 43 G HA3 -0.273 3.669 3.960 -0.029 0.000 0.237 43 G C -0.125 174.648 174.900 -0.212 0.000 1.002 43 G CA 0.102 45.090 45.100 -0.187 0.000 0.702 43 G HN 0.790 nan 8.290 nan 0.000 0.515 44 R N -0.567 119.802 120.500 -0.218 0.000 2.445 44 R HA 0.693 5.016 4.340 -0.029 0.000 0.308 44 R C -0.856 175.344 176.300 -0.168 0.000 0.961 44 R CA -0.947 55.084 56.100 -0.115 0.000 0.862 44 R CB 0.520 30.801 30.300 -0.033 0.000 1.144 44 R HN -0.007 nan 8.270 nan 0.000 0.447 45 F N 3.090 123.038 119.950 -0.003 0.000 2.385 45 F HA 0.271 4.780 4.527 -0.029 0.000 0.360 45 F C 0.083 175.880 175.800 -0.005 0.000 1.122 45 F CA -0.534 57.464 58.000 -0.003 0.000 1.090 45 F CB 1.325 40.324 39.000 -0.002 0.000 1.150 45 F HN 0.309 nan 8.300 nan 0.000 0.472 46 D N 3.635 124.122 120.400 0.145 0.000 2.249 46 D HA 0.330 4.953 4.640 -0.029 0.000 0.246 46 D C -0.581 175.768 176.300 0.082 0.000 1.114 46 D CA 0.060 54.111 54.000 0.085 0.000 0.854 46 D CB 2.356 43.182 40.800 0.043 0.000 1.132 46 D HN 0.138 nan 8.370 nan 0.000 0.461 47 V N 2.687 122.637 119.914 0.059 0.000 2.407 47 V HA 0.242 4.345 4.120 -0.029 0.000 0.291 47 V C 0.199 176.303 176.094 0.015 0.000 1.018 47 V CA -0.604 61.718 62.300 0.036 0.000 0.842 47 V CB 1.837 33.676 31.823 0.026 0.000 0.996 47 V HN 0.448 nan 8.190 nan 0.000 0.426 48 T N 7.482 122.041 114.554 0.008 0.000 2.853 48 T HA 0.402 4.734 4.350 -0.029 0.000 0.317 48 T C -2.471 172.221 174.700 -0.014 0.000 1.059 48 T CA -1.153 60.945 62.100 -0.003 0.000 0.954 48 T CB 1.360 70.227 68.868 -0.002 0.000 0.994 48 T HN 0.392 nan 8.240 nan 0.000 0.479 49 P HA 0.301 nan 4.420 nan 0.000 0.271 49 P C -0.074 177.199 177.300 -0.046 0.000 1.233 49 P CA -0.299 62.777 63.100 -0.039 0.000 0.789 49 P CB 0.482 32.158 31.700 -0.041 0.000 0.951 50 T N -2.455 112.057 114.554 -0.071 0.000 2.903 50 T HA 0.716 5.049 4.350 -0.029 0.000 0.299 50 T C -0.972 173.664 174.700 -0.107 0.000 1.093 50 T CA -0.667 61.392 62.100 -0.068 0.000 1.002 50 T CB 0.955 69.793 68.868 -0.050 0.000 1.127 50 T HN 0.098 nan 8.240 nan 0.000 0.488 51 V N 1.232 121.099 119.914 -0.078 0.000 2.971 51 V HA 0.855 4.958 4.120 -0.029 0.000 0.309 51 V C -1.285 174.779 176.094 -0.050 0.000 1.130 51 V CA -0.814 61.435 62.300 -0.085 0.000 0.964 51 V CB 2.020 33.793 31.823 -0.083 0.000 1.029 51 V HN 1.104 nan 8.190 nan 0.000 0.427 52 Q N 1.747 121.525 119.800 -0.037 0.000 2.280 52 Q HA 0.424 4.747 4.340 -0.029 0.000 0.259 52 Q C -1.833 174.044 176.000 -0.204 0.000 0.964 52 Q CA -0.261 55.477 55.803 -0.107 0.000 0.844 52 Q CB 2.022 30.747 28.738 -0.022 0.000 1.334 52 Q HN 0.817 nan 8.270 nan 0.000 0.423 53 D N 2.935 123.176 120.400 -0.266 0.000 2.193 53 D HA 0.415 5.038 4.640 -0.029 0.000 0.249 53 D C -0.658 175.429 176.300 -0.355 0.000 1.034 53 D CA 0.096 53.979 54.000 -0.195 0.000 0.902 53 D CB 1.091 41.826 40.800 -0.108 0.000 1.182 53 D HN 0.479 nan 8.370 nan 0.000 0.436 54 Y N -0.617 119.721 120.300 0.063 0.000 2.581 54 Y HA 0.434 4.967 4.550 -0.029 0.000 0.345 54 Y C -0.251 175.572 175.900 -0.127 0.000 1.036 54 Y CA -0.996 57.070 58.100 -0.057 0.000 1.042 54 Y CB 2.056 40.434 38.460 -0.137 0.000 1.289 54 Y HN 0.001 nan 8.280 nan 0.000 0.471 55 V N 2.135 122.004 119.914 -0.074 0.000 2.588 55 V HA 0.459 4.562 4.120 -0.029 0.000 0.304 55 V C -1.168 174.819 176.094 -0.178 0.000 1.042 55 V CA -1.128 61.139 62.300 -0.055 0.000 0.877 55 V CB 1.685 33.537 31.823 0.048 0.000 0.996 55 V HN 0.517 nan 8.190 nan 0.000 0.425 56 F N 2.761 122.939 119.950 0.380 0.000 2.469 56 F HA 0.632 5.142 4.527 -0.029 0.000 0.332 56 F C 0.169 176.056 175.800 0.144 0.000 1.103 56 F CA -0.521 57.655 58.000 0.293 0.000 0.979 56 F CB 1.958 41.023 39.000 0.108 0.000 1.137 56 F HN 0.332 nan 8.300 nan 0.000 0.463 57 K N 4.718 125.178 120.400 0.100 0.000 2.376 57 K HA 0.496 4.799 4.320 -0.029 0.000 0.257 57 K C -1.863 174.642 176.600 -0.158 0.000 0.939 57 K CA -0.604 55.546 56.287 -0.228 0.000 0.809 57 K CB 1.424 33.410 32.500 -0.857 0.000 1.121 57 K HN 0.697 nan 8.250 nan 0.000 0.425 58 L N 4.895 126.027 121.223 -0.151 0.000 2.318 58 L HA 0.276 4.599 4.340 -0.029 0.000 0.277 58 L C -0.896 175.874 176.870 -0.167 0.000 1.008 58 L CA -0.550 54.177 54.840 -0.188 0.000 0.846 58 L CB 1.290 43.233 42.059 -0.194 0.000 1.220 58 L HN 0.825 nan 8.230 nan 0.000 0.423 59 D N 4.878 125.170 120.400 -0.181 0.000 2.389 59 D HA -0.001 4.621 4.640 -0.029 0.000 0.263 59 D C 0.922 177.152 176.300 -0.117 0.000 1.255 59 D CA 0.154 54.073 54.000 -0.135 0.000 0.914 59 D CB 0.796 41.518 40.800 -0.129 0.000 1.116 59 D HN 0.573 nan 8.370 nan 0.000 0.502 60 L N 2.989 124.172 121.223 -0.067 0.000 2.627 60 L HA -0.007 4.316 4.340 -0.029 0.000 0.233 60 L C 0.641 177.490 176.870 -0.035 0.000 1.144 60 L CA 0.066 54.881 54.840 -0.041 0.000 0.892 60 L CB -0.468 41.597 42.059 0.010 0.000 1.039 60 L HN 0.241 nan 8.230 nan 0.000 0.442 61 K N 1.432 121.806 120.400 -0.044 0.000 2.267 61 K HA 0.247 4.550 4.320 -0.029 0.000 0.282 61 K C -0.220 176.360 176.600 -0.032 0.000 1.078 61 K CA -0.516 55.752 56.287 -0.031 0.000 0.903 61 K CB 0.494 32.977 32.500 -0.029 0.000 1.111 61 K HN 0.005 nan 8.250 nan 0.000 0.475 62 K N 3.325 123.715 120.400 -0.017 0.000 2.172 62 K HA 0.353 4.656 4.320 -0.029 0.000 0.276 62 K C -2.045 174.553 176.600 -0.003 0.000 1.013 62 K CA -1.723 54.559 56.287 -0.008 0.000 0.913 62 K CB 0.488 32.999 32.500 0.018 0.000 1.055 62 K HN 0.467 nan 8.250 nan 0.000 0.461 63 P HA -0.061 nan 4.420 nan 0.000 0.264 63 P C -0.349 176.958 177.300 0.012 0.000 1.183 63 P CA 0.297 63.395 63.100 -0.004 0.000 0.763 63 P CB 0.634 32.329 31.700 -0.007 0.000 0.807 64 E N 1.131 121.334 120.200 0.006 0.000 2.371 64 E HA -0.017 4.315 4.350 -0.029 0.000 0.194 64 E C 0.238 176.854 176.600 0.026 0.000 1.012 64 E CA 0.703 57.111 56.400 0.013 0.000 0.860 64 E CB 0.203 29.904 29.700 0.003 0.000 0.811 64 E HN 0.346 nan 8.360 nan 0.000 0.502 65 K N 0.978 121.392 120.400 0.024 0.000 2.443 65 K HA 0.391 4.693 4.320 -0.029 0.000 0.252 65 K C -1.149 175.475 176.600 0.040 0.000 0.933 65 K CA -0.871 55.439 56.287 0.038 0.000 0.792 65 K CB 2.312 34.816 32.500 0.006 0.000 1.185 65 K HN -0.063 nan 8.250 nan 0.000 0.425 66 L N 0.869 122.145 121.223 0.089 0.000 2.362 66 L HA 0.646 4.969 4.340 -0.029 0.000 0.275 66 L C -0.118 176.750 176.870 -0.004 0.000 0.998 66 L CA -0.137 54.715 54.840 0.020 0.000 0.820 66 L CB 1.981 44.039 42.059 -0.001 0.000 1.270 66 L HN 0.652 nan 8.230 nan 0.000 0.415 67 G N 5.789 114.590 108.800 0.002 0.000 2.372 67 G HA2 0.560 4.503 3.960 -0.029 0.000 0.283 67 G HA3 0.560 4.503 3.960 -0.029 0.000 0.283 67 G C -0.790 174.131 174.900 0.034 0.000 1.177 67 G CA -0.421 44.758 45.100 0.131 0.000 0.842 67 G HN 0.459 nan 8.290 nan 0.000 0.503 68 I N 2.650 123.222 120.570 0.004 0.000 2.410 68 I HA 0.307 4.460 4.170 -0.029 0.000 0.286 68 I C -0.060 175.957 176.117 -0.166 0.000 1.009 68 I CA -0.722 60.486 61.300 -0.155 0.000 1.111 68 I CB 1.502 39.338 38.000 -0.274 0.000 1.262 68 I HN 0.363 nan 8.210 nan 0.000 0.443 69 M N 6.576 126.085 119.600 -0.153 0.000 2.072 69 M HA 0.388 4.851 4.480 -0.029 0.000 0.331 69 M C -0.933 175.369 176.300 0.003 0.000 1.004 69 M CA -0.937 54.221 55.300 -0.236 0.000 0.952 69 M CB 1.584 33.976 32.600 -0.347 0.000 1.511 69 M HN 0.175 nan 8.290 nan 0.000 0.422 70 L N 5.130 126.318 121.223 -0.059 0.000 2.278 70 L HA 0.422 4.745 4.340 -0.029 0.000 0.287 70 L C -0.048 176.856 176.870 0.056 0.000 1.072 70 L CA -0.207 54.626 54.840 -0.011 0.000 0.819 70 L CB 0.156 42.169 42.059 -0.076 0.000 1.176 70 L HN 0.616 nan 8.230 nan 0.000 0.435 71 I N 3.355 123.899 120.570 -0.043 0.000 2.452 71 I HA 0.371 4.524 4.170 -0.029 0.000 0.287 71 I C 1.158 176.970 176.117 -0.508 0.000 1.079 71 I CA 0.227 61.319 61.300 -0.346 0.000 1.387 71 I CB 0.446 37.978 38.000 -0.780 0.000 1.404 71 I HN 0.828 nan 8.210 nan 0.000 0.522 72 G N 4.915 113.494 108.800 -0.368 0.000 2.167 72 G HA2 -0.204 3.739 3.960 -0.029 0.000 0.194 72 G HA3 -0.204 3.739 3.960 -0.029 0.000 0.194 72 G C 0.608 175.395 174.900 -0.188 0.000 1.027 72 G CA -0.216 44.691 45.100 -0.321 0.000 0.717 72 G HN 0.640 nan 8.290 nan 0.000 0.501 73 L N 0.168 121.315 121.223 -0.126 0.000 2.127 73 L HA 0.002 4.325 4.340 -0.029 0.000 0.211 73 L C 2.572 179.390 176.870 -0.088 0.000 1.089 73 L CA 2.127 56.908 54.840 -0.098 0.000 0.757 73 L CB -0.342 41.659 42.059 -0.098 0.000 0.899 73 L HN 0.451 nan 8.230 nan 0.000 0.434 74 G N -0.990 107.756 108.800 -0.089 0.000 2.990 74 G HA2 0.129 4.072 3.960 -0.029 0.000 0.206 74 G HA3 0.129 4.072 3.960 -0.029 0.000 0.206 74 G C 0.623 175.478 174.900 -0.075 0.000 1.169 74 G CA 0.421 45.475 45.100 -0.077 0.000 0.819 74 G HN 0.503 nan 8.290 nan 0.000 0.517 75 G N 0.007 108.760 108.800 -0.079 0.000 2.736 75 G HA2 0.304 4.246 3.960 -0.029 0.000 0.229 75 G HA3 0.304 4.246 3.960 -0.029 0.000 0.229 75 G C 0.807 175.677 174.900 -0.050 0.000 1.380 75 G CA -0.330 44.732 45.100 -0.063 0.000 1.040 75 G HN 0.099 nan 8.290 nan 0.000 0.568 76 N N 0.189 118.869 118.700 -0.033 0.000 2.106 76 N HA -0.094 4.628 4.740 -0.029 0.000 0.188 76 N C 2.007 177.503 175.510 -0.022 0.000 1.029 76 N CA 1.059 54.095 53.050 -0.024 0.000 0.848 76 N CB -0.164 38.320 38.487 -0.004 0.000 1.007 76 N HN 0.318 nan 8.380 nan 0.000 0.423 77 N N 0.293 118.980 118.700 -0.022 0.000 2.062 77 N HA -0.045 4.678 4.740 -0.029 0.000 0.191 77 N C 1.886 177.383 175.510 -0.022 0.000 1.042 77 N CA 1.417 54.458 53.050 -0.014 0.000 0.845 77 N CB -1.036 37.440 38.487 -0.018 0.000 1.024 77 N HN 0.295 nan 8.380 nan 0.000 0.424 78 G N 0.283 109.057 108.800 -0.044 0.000 2.513 78 G HA2 -0.316 3.626 3.960 -0.029 0.000 0.219 78 G HA3 -0.316 3.626 3.960 -0.029 0.000 0.219 78 G C 1.726 176.606 174.900 -0.034 0.000 1.160 78 G CA 1.912 46.983 45.100 -0.049 0.000 0.767 78 G HN 0.528 nan 8.290 nan 0.000 0.571 79 S N -0.290 115.385 115.700 -0.041 0.000 2.387 79 S HA -0.131 4.322 4.470 -0.029 0.000 0.226 79 S C 2.372 176.952 174.600 -0.034 0.000 1.026 79 S CA 2.142 60.318 58.200 -0.040 0.000 0.972 79 S CB -0.726 62.440 63.200 -0.056 0.000 0.814 79 S HN 0.491 nan 8.310 nan 0.000 0.477 80 T N 0.513 115.050 114.554 -0.029 0.000 3.023 80 T HA 0.080 4.412 4.350 -0.029 0.000 0.266 80 T C 1.692 176.387 174.700 -0.008 0.000 1.093 80 T CA 0.878 62.960 62.100 -0.030 0.000 1.129 80 T CB -0.629 68.222 68.868 -0.027 0.000 0.899 80 T HN 0.310 nan 8.240 nan 0.000 0.491 81 L N 1.781 123.012 121.223 0.014 0.000 1.956 81 L HA -0.037 4.286 4.340 -0.029 0.000 0.216 81 L C 2.569 179.475 176.870 0.060 0.000 1.073 81 L CA 1.989 56.862 54.840 0.056 0.000 0.762 81 L CB -1.069 41.026 42.059 0.061 0.000 0.889 81 L HN 0.185 nan 8.230 nan 0.000 0.433 82 V N 0.343 120.281 119.914 0.040 0.000 2.324 82 V HA -0.340 3.762 4.120 -0.029 0.000 0.250 82 V C 2.811 178.913 176.094 0.013 0.000 1.060 82 V CA 1.835 64.157 62.300 0.037 0.000 1.042 82 V CB -1.654 30.181 31.823 0.020 0.000 0.650 82 V HN 0.673 nan 8.190 nan 0.000 0.450 83 A N 0.726 123.535 122.820 -0.017 0.000 1.930 83 A HA -0.176 4.126 4.320 -0.029 0.000 0.217 83 A C 2.509 180.045 177.584 -0.079 0.000 1.175 83 A CA 2.124 54.130 52.037 -0.053 0.000 0.627 83 A CB -0.629 18.317 19.000 -0.090 0.000 0.815 83 A HN 0.690 nan 8.150 nan 0.000 0.443 84 S N -0.517 115.144 115.700 -0.065 0.000 2.406 84 S HA -0.070 4.382 4.470 -0.029 0.000 0.228 84 S C 1.729 176.265 174.600 -0.107 0.000 1.020 84 S CA 1.091 59.212 58.200 -0.132 0.000 0.965 84 S CB -0.808 62.339 63.200 -0.089 0.000 0.798 84 S HN 0.208 nan 8.310 nan 0.000 0.488 85 V N 2.636 122.558 119.914 0.013 0.000 2.255 85 V HA -0.174 3.929 4.120 -0.029 0.000 0.247 85 V C 2.566 178.638 176.094 -0.036 0.000 1.051 85 V CA 2.002 64.316 62.300 0.023 0.000 1.018 85 V CB -0.914 30.936 31.823 0.045 0.000 0.641 85 V HN 0.458 nan 8.190 nan 0.000 0.445 86 L N 0.031 121.250 121.223 -0.007 0.000 2.046 86 L HA -0.167 4.156 4.340 -0.029 0.000 0.208 86 L C 2.673 179.549 176.870 0.010 0.000 1.077 86 L CA 1.719 56.583 54.840 0.041 0.000 0.747 86 L CB -0.820 41.300 42.059 0.101 0.000 0.896 86 L HN 0.359 nan 8.230 nan 0.000 0.432 87 A N -0.334 122.443 122.820 -0.071 0.000 1.929 87 A HA -0.153 4.150 4.320 -0.029 0.000 0.216 87 A C 2.130 179.640 177.584 -0.124 0.000 1.176 87 A CA 1.424 53.405 52.037 -0.093 0.000 0.628 87 A CB -0.461 18.435 19.000 -0.172 0.000 0.816 87 A HN 0.425 nan 8.150 nan 0.000 0.444 88 N N -0.128 118.440 118.700 -0.221 0.000 2.135 88 N HA -0.150 4.573 4.740 -0.029 0.000 0.186 88 N C 1.835 177.269 175.510 -0.127 0.000 1.027 88 N CA 1.524 54.428 53.050 -0.243 0.000 0.849 88 N CB -0.273 37.895 38.487 -0.531 0.000 1.002 88 N HN 0.643 nan 8.380 nan 0.000 0.425 89 K N 0.756 121.060 120.400 -0.160 0.000 2.059 89 K HA -0.168 4.134 4.320 -0.029 0.000 0.212 89 K C 0.748 177.140 176.600 -0.347 0.000 1.050 89 K CA 1.445 57.565 56.287 -0.278 0.000 0.927 89 K CB -0.081 32.151 32.500 -0.447 0.000 0.714 89 K HN 0.346 nan 8.250 nan 0.000 0.447 90 H N 0.593 119.648 119.070 -0.025 0.000 2.568 90 H HA 0.150 4.689 4.556 -0.029 0.000 0.302 90 H C -0.423 174.890 175.328 -0.024 0.000 1.065 90 H CA 0.071 56.105 56.048 -0.023 0.000 1.140 90 H CB -0.649 29.097 29.762 -0.027 0.000 1.474 90 H HN 0.382 nan 8.280 nan 0.000 0.545 91 N N 0.910 119.631 118.700 0.034 0.000 2.702 91 N HA -0.183 4.540 4.740 -0.029 0.000 0.255 91 N C 0.262 175.795 175.510 0.039 0.000 0.983 91 N CA 0.348 53.410 53.050 0.021 0.000 0.768 91 N CB -0.695 37.803 38.487 0.019 0.000 0.918 91 N HN 0.155 nan 8.380 nan 0.000 0.540 92 V N 0.428 120.367 119.914 0.042 0.000 2.287 92 V HA 0.094 4.197 4.120 -0.029 0.000 0.246 92 V C 0.851 177.020 176.094 0.125 0.000 1.165 92 V CA -0.568 61.763 62.300 0.052 0.000 1.088 92 V CB -0.131 31.704 31.823 0.020 0.000 1.242 92 V HN 0.264 nan 8.190 nan 0.000 0.497 93 E N 6.059 126.332 120.200 0.122 0.000 2.442 93 E HA 0.448 4.780 4.350 -0.029 0.000 0.260 93 E C -0.382 176.391 176.600 0.288 0.000 1.148 93 E CA -0.251 56.249 56.400 0.168 0.000 0.976 93 E CB 0.532 30.252 29.700 0.033 0.000 0.967 93 E HN 0.875 nan 8.360 nan 0.000 0.454 94 F N -2.844 117.077 119.950 -0.049 0.000 2.678 94 F HA 0.334 4.844 4.527 -0.029 0.000 0.308 94 F C -1.053 174.728 175.800 -0.031 0.000 1.118 94 F CA -1.572 56.403 58.000 -0.041 0.000 0.959 94 F CB 1.274 40.245 39.000 -0.049 0.000 1.305 94 F HN 0.169 nan 8.300 nan 0.000 0.443 95 Q N 2.341 122.240 119.800 0.166 0.000 2.314 95 Q HA 0.558 4.881 4.340 -0.029 0.000 0.258 95 Q C -0.146 175.897 176.000 0.072 0.000 0.954 95 Q CA 0.303 56.141 55.803 0.057 0.000 0.890 95 Q CB 1.778 30.563 28.738 0.077 0.000 1.210 95 Q HN 0.988 nan 8.270 nan 0.000 0.410 96 T N -2.095 112.452 114.554 -0.010 0.000 2.762 96 T HA 0.377 4.710 4.350 -0.029 0.000 0.301 96 T C 0.671 175.370 174.700 -0.001 0.000 1.299 96 T CA -0.866 61.244 62.100 0.017 0.000 1.005 96 T CB 0.971 69.823 68.868 -0.027 0.000 1.377 96 T HN 0.434 nan 8.240 nan 0.000 0.504 97 K N 0.149 120.555 120.400 0.011 0.000 2.160 97 K HA -0.132 4.171 4.320 -0.029 0.000 0.206 97 K C 1.140 177.732 176.600 -0.013 0.000 1.047 97 K CA 1.893 58.181 56.287 0.003 0.000 0.930 97 K CB -0.157 32.347 32.500 0.007 0.000 0.720 97 K HN 0.572 nan 8.250 nan 0.000 0.450 98 E N -0.525 119.657 120.200 -0.029 0.000 2.465 98 E HA 0.149 4.482 4.350 -0.029 0.000 0.191 98 E C 0.221 176.785 176.600 -0.060 0.000 1.053 98 E CA 0.155 56.531 56.400 -0.041 0.000 0.869 98 E CB 1.032 30.705 29.700 -0.044 0.000 0.977 98 E HN 0.398 nan 8.360 nan 0.000 0.483 99 G N -0.907 107.852 108.800 -0.068 0.000 2.408 99 G HA2 -0.145 3.797 3.960 -0.029 0.000 0.682 99 G HA3 -0.145 3.797 3.960 -0.029 0.000 0.682 99 G C -0.817 174.005 174.900 -0.130 0.000 1.303 99 G CA -0.788 44.264 45.100 -0.080 0.000 0.966 99 G HN 0.003 nan 8.290 nan 0.000 0.560 100 V N 1.599 121.440 119.914 -0.121 0.000 2.637 100 V HA 0.435 4.538 4.120 -0.029 0.000 0.296 100 V C 0.276 176.203 176.094 -0.278 0.000 1.046 100 V CA 0.038 62.234 62.300 -0.174 0.000 1.066 100 V CB 1.372 33.132 31.823 -0.105 0.000 0.968 100 V HN 0.637 nan 8.190 nan 0.000 0.483 101 K N 3.574 123.670 120.400 -0.507 0.000 2.270 101 K HA 0.480 4.782 4.320 -0.029 0.000 0.255 101 K C -0.631 175.668 176.600 -0.501 0.000 0.936 101 K CA -0.855 55.052 56.287 -0.634 0.000 0.809 101 K CB 1.877 33.679 32.500 -1.163 0.000 1.131 101 K HN 0.498 nan 8.250 nan 0.000 0.427 102 Q N 2.767 122.407 119.800 -0.267 0.000 2.256 102 Q HA 0.357 4.679 4.340 -0.029 0.000 0.254 102 Q C -1.996 173.955 176.000 -0.080 0.000 0.916 102 Q CA -2.018 53.717 55.803 -0.115 0.000 0.932 102 Q CB 0.539 29.223 28.738 -0.092 0.000 1.207 102 Q HN 0.356 nan 8.270 nan 0.000 0.426 103 P HA 0.114 nan 4.420 nan 0.000 0.271 103 P C -0.652 176.531 177.300 -0.196 0.000 1.233 103 P CA -0.133 62.956 63.100 -0.019 0.000 0.789 103 P CB 0.736 32.408 31.700 -0.046 0.000 0.951 104 N N -1.322 117.190 118.700 -0.312 0.000 3.339 104 N HA 0.173 4.896 4.740 -0.029 0.000 0.275 104 N C -1.297 174.032 175.510 -0.301 0.000 1.514 104 N CA -0.674 52.204 53.050 -0.287 0.000 0.879 104 N CB 0.009 38.223 38.487 -0.455 0.000 1.557 104 N HN 0.270 nan 8.380 nan 0.000 0.524 105 Y N -0.869 119.470 120.300 0.064 0.000 2.660 105 Y HA 0.461 4.993 4.550 -0.029 0.000 0.254 105 Y C -0.281 175.771 175.900 0.254 0.000 1.176 105 Y CA -0.837 57.318 58.100 0.093 0.000 1.195 105 Y CB 0.198 38.677 38.460 0.032 0.000 1.190 105 Y HN 0.270 nan 8.280 nan 0.000 0.535 106 F N 1.583 121.596 119.950 0.106 0.000 2.452 106 F HA 0.038 4.547 4.527 -0.029 0.000 0.403 106 F C 1.541 177.387 175.800 0.077 0.000 0.972 106 F CA 1.424 59.467 58.000 0.072 0.000 1.194 106 F CB -0.426 38.603 39.000 0.050 0.000 0.908 106 F HN 0.422 nan 8.300 nan 0.000 0.555 107 G N 1.577 110.483 108.800 0.176 0.000 2.194 107 G HA2 -0.229 3.713 3.960 -0.029 0.000 0.236 107 G HA3 -0.229 3.713 3.960 -0.029 0.000 0.236 107 G C 0.279 175.257 174.900 0.131 0.000 0.987 107 G CA 0.135 45.319 45.100 0.139 0.000 0.635 107 G HN 0.929 nan 8.290 nan 0.000 0.520 108 S N 0.221 115.994 115.700 0.121 0.000 2.442 108 S HA 0.639 5.092 4.470 -0.029 0.000 0.297 108 S C 1.506 176.106 174.600 0.001 0.000 1.131 108 S CA 0.355 58.593 58.200 0.062 0.000 1.092 108 S CB 0.963 64.173 63.200 0.017 0.000 0.998 108 S HN 0.396 nan 8.310 nan 0.000 0.478 109 M N 4.452 124.052 119.600 -0.001 0.000 2.099 109 M HA -0.097 4.366 4.480 -0.029 0.000 0.262 109 M C 2.138 178.173 176.300 -0.440 0.000 1.067 109 M CA 2.445 57.644 55.300 -0.168 0.000 1.124 109 M CB -0.961 31.545 32.600 -0.157 0.000 1.353 109 M HN 0.915 nan 8.290 nan 0.000 0.410 110 T N -1.095 113.207 114.554 -0.421 0.000 2.788 110 T HA -0.157 4.176 4.350 -0.029 0.000 0.268 110 T C 1.609 176.230 174.700 -0.131 0.000 1.044 110 T CA 1.256 63.125 62.100 -0.386 0.000 1.139 110 T CB -0.343 68.395 68.868 -0.217 0.000 0.867 110 T HN 0.490 nan 8.240 nan 0.000 0.454 111 Q N -0.544 119.188 119.800 -0.113 0.000 2.391 111 Q HA 0.275 4.598 4.340 -0.029 0.000 0.211 111 Q C 1.891 177.908 176.000 0.027 0.000 0.908 111 Q CA 0.477 56.251 55.803 -0.047 0.000 0.920 111 Q CB -0.008 28.670 28.738 -0.100 0.000 1.056 111 Q HN 0.634 nan 8.270 nan 0.000 0.523 112 C N 0.879 120.187 119.300 0.014 0.000 3.642 112 C HA 0.262 4.705 4.460 -0.029 0.000 0.305 112 C C 1.143 176.122 174.990 -0.018 0.000 1.492 112 C CA -0.419 58.613 59.018 0.024 0.000 1.809 112 C CB 0.042 27.807 27.740 0.042 0.000 2.639 112 C HN 0.369 nan 8.230 nan 0.000 0.672 113 S N 1.130 116.818 115.700 -0.019 0.000 2.654 113 S HA 0.688 5.140 4.470 -0.029 0.000 0.283 113 S C -0.089 174.576 174.600 0.109 0.000 1.180 113 S CA -0.032 58.173 58.200 0.008 0.000 1.021 113 S CB 1.240 64.429 63.200 -0.018 0.000 1.018 113 S HN 0.479 nan 8.310 nan 0.000 0.532 114 T N 0.057 114.682 114.554 0.119 0.000 2.937 114 T HA 0.741 5.074 4.350 -0.029 0.000 0.283 114 T C -0.391 174.475 174.700 0.276 0.000 1.012 114 T CA -0.991 61.225 62.100 0.193 0.000 0.997 114 T CB 0.528 69.504 68.868 0.181 0.000 1.136 114 T HN 0.653 nan 8.240 nan 0.000 0.551 115 L N 0.343 121.727 121.223 0.269 0.000 2.422 115 L HA 0.518 4.841 4.340 -0.029 0.000 0.264 115 L C -0.122 176.714 176.870 -0.057 0.000 0.984 115 L CA -1.169 53.758 54.840 0.146 0.000 0.819 115 L CB 2.555 44.616 42.059 0.004 0.000 1.330 115 L HN 0.716 nan 8.230 nan 0.000 0.410 116 K N 2.184 122.408 120.400 -0.293 0.000 2.383 116 K HA 0.256 4.559 4.320 -0.029 0.000 0.286 116 K C 0.449 176.865 176.600 -0.308 0.000 1.051 116 K CA -0.116 55.774 56.287 -0.662 0.000 0.974 116 K CB 0.814 32.977 32.500 -0.563 0.000 0.968 116 K HN 0.598 nan 8.250 nan 0.000 0.475 117 L N 2.697 123.767 121.223 -0.255 0.000 2.357 117 L HA 0.225 4.547 4.340 -0.029 0.000 0.211 117 L C 1.171 177.968 176.870 -0.123 0.000 1.075 117 L CA 0.474 55.227 54.840 -0.144 0.000 0.830 117 L CB 0.319 42.320 42.059 -0.096 0.000 0.996 117 L HN 0.957 nan 8.230 nan 0.000 0.467 118 G N 0.014 108.728 108.800 -0.143 0.000 2.399 118 G HA2 0.245 4.187 3.960 -0.029 0.000 0.256 118 G HA3 0.245 4.187 3.960 -0.029 0.000 0.256 118 G C -1.734 173.108 174.900 -0.096 0.000 1.236 118 G CA -0.303 44.736 45.100 -0.102 0.000 0.914 118 G HN 0.010 nan 8.290 nan 0.000 0.482 119 I N -0.772 119.766 120.570 -0.054 0.000 2.797 119 I HA 0.782 4.934 4.170 -0.029 0.000 0.307 119 I C -0.278 175.830 176.117 -0.016 0.000 1.033 119 I CA -1.004 60.276 61.300 -0.032 0.000 1.071 119 I CB 2.223 40.212 38.000 -0.018 0.000 1.255 119 I HN 0.648 nan 8.210 nan 0.000 0.445 120 D N 3.987 124.385 120.400 -0.004 0.000 2.446 120 D HA 0.326 4.948 4.640 -0.029 0.000 0.288 120 D C 0.534 176.839 176.300 0.008 0.000 1.195 120 D CA -0.475 53.527 54.000 0.003 0.000 1.095 120 D CB 0.351 41.157 40.800 0.010 0.000 1.153 120 D HN 0.672 nan 8.370 nan 0.000 0.568 121 A N -0.936 121.890 122.820 0.010 0.000 2.579 121 A HA 0.139 4.442 4.320 -0.029 0.000 0.273 121 A C 0.597 178.189 177.584 0.014 0.000 1.363 121 A CA -0.276 51.768 52.037 0.012 0.000 0.953 121 A CB -0.466 18.541 19.000 0.011 0.000 1.034 121 A HN 0.436 nan 8.150 nan 0.000 0.536 122 E N -1.799 118.410 120.200 0.016 0.000 2.536 122 E HA 0.225 4.557 4.350 -0.029 0.000 0.220 122 E C 1.083 177.695 176.600 0.020 0.000 0.876 122 E CA 0.695 57.106 56.400 0.018 0.000 1.190 122 E CB 0.648 30.359 29.700 0.019 0.000 1.191 122 E HN 0.824 nan 8.360 nan 0.000 0.557 123 G N 1.960 110.771 108.800 0.019 0.000 2.192 123 G HA2 -0.180 3.762 3.960 -0.029 0.000 0.193 123 G HA3 -0.180 3.762 3.960 -0.029 0.000 0.193 123 G C 0.052 174.963 174.900 0.019 0.000 0.999 123 G CA -0.395 44.716 45.100 0.019 0.000 0.659 123 G HN 0.086 nan 8.290 nan 0.000 0.503 124 N N 1.797 120.511 118.700 0.023 0.000 2.518 124 N HA 0.331 5.054 4.740 -0.029 0.000 0.266 124 N C -0.490 175.036 175.510 0.026 0.000 1.196 124 N CA -0.119 52.950 53.050 0.032 0.000 0.947 124 N CB 0.651 39.161 38.487 0.039 0.000 1.098 124 N HN 0.158 nan 8.380 nan 0.000 0.450 125 D N 0.485 120.911 120.400 0.044 0.000 2.455 125 D HA 0.077 4.700 4.640 -0.029 0.000 0.241 125 D C -0.313 176.003 176.300 0.027 0.000 1.138 125 D CA 0.270 54.277 54.000 0.012 0.000 0.877 125 D CB 0.799 41.660 40.800 0.102 0.000 1.187 125 D HN 0.032 nan 8.370 nan 0.000 0.451 126 V N 3.992 123.849 119.914 -0.095 0.000 2.378 126 V HA 0.227 4.330 4.120 -0.029 0.000 0.288 126 V C -0.687 175.314 176.094 -0.155 0.000 1.016 126 V CA -0.679 61.596 62.300 -0.043 0.000 0.840 126 V CB 0.400 32.203 31.823 -0.035 0.000 0.994 126 V HN 0.373 nan 8.190 nan 0.000 0.431 127 Y N 2.625 122.926 120.300 0.002 0.000 2.496 127 Y HA 0.824 5.357 4.550 -0.029 0.000 0.331 127 Y C 0.471 176.373 175.900 0.002 0.000 1.140 127 Y CA -0.495 57.606 58.100 0.002 0.000 1.166 127 Y CB 2.016 40.480 38.460 0.007 0.000 1.249 127 Y HN 0.687 nan 8.280 nan 0.000 0.479 128 A N 2.345 125.239 122.820 0.123 0.000 2.515 128 A HA 0.750 5.053 4.320 -0.029 0.000 0.296 128 A C -3.016 174.625 177.584 0.094 0.000 1.094 128 A CA -2.244 49.840 52.037 0.079 0.000 0.718 128 A CB 1.277 20.286 19.000 0.015 0.000 1.307 128 A HN 0.457 nan 8.150 nan 0.000 0.408 129 P HA 0.018 nan 4.420 nan 0.000 0.264 129 P C 0.406 177.772 177.300 0.111 0.000 1.183 129 P CA 0.357 63.517 63.100 0.100 0.000 0.763 129 P CB 0.129 31.872 31.700 0.072 0.000 0.807 130 F N 4.410 124.358 119.950 -0.004 0.000 2.269 130 F HA -0.193 4.317 4.527 -0.028 0.000 0.301 130 F C 1.516 177.281 175.800 -0.058 0.000 1.082 130 F CA 1.394 59.376 58.000 -0.030 0.000 1.360 130 F CB 0.055 39.037 39.000 -0.030 0.000 1.041 130 F HN 0.277 nan 8.300 nan 0.000 0.512 131 N N -0.053 118.779 118.700 0.220 0.000 2.230 131 N HA -0.032 4.691 4.740 -0.029 0.000 0.202 131 N C 0.713 176.236 175.510 0.022 0.000 1.119 131 N CA 0.748 53.873 53.050 0.125 0.000 0.851 131 N CB -0.691 37.898 38.487 0.170 0.000 0.990 131 N HN 0.251 nan 8.380 nan 0.000 0.497 132 S N -0.816 114.884 115.700 -0.001 0.000 2.614 132 S HA 0.244 4.697 4.470 -0.029 0.000 0.230 132 S C 0.966 175.547 174.600 -0.032 0.000 0.952 132 S CA -0.427 57.769 58.200 -0.006 0.000 0.949 132 S CB -0.119 63.086 63.200 0.009 0.000 0.786 132 S HN 0.075 nan 8.310 nan 0.000 0.478 133 L N 0.352 121.531 121.223 -0.073 0.000 2.467 133 L HA 0.581 4.903 4.340 -0.029 0.000 0.213 133 L C 0.186 177.042 176.870 -0.024 0.000 1.053 133 L CA 0.916 55.710 54.840 -0.078 0.000 0.847 133 L CB 0.009 41.970 42.059 -0.163 0.000 1.075 133 L HN 0.380 nan 8.230 nan 0.000 0.479 134 L N 0.934 122.160 121.223 0.005 0.000 2.436 134 L HA 0.410 4.733 4.340 -0.029 0.000 0.268 134 L C -2.372 174.594 176.870 0.160 0.000 0.974 134 L CA -1.786 53.130 54.840 0.128 0.000 0.826 134 L CB 2.191 44.430 42.059 0.299 0.000 1.291 134 L HN -0.111 nan 8.230 nan 0.000 0.406 135 P HA 0.025 nan 4.420 nan 0.000 0.261 135 P C -1.173 176.248 177.300 0.202 0.000 1.173 135 P CA 0.362 63.534 63.100 0.120 0.000 0.760 135 P CB 0.769 32.510 31.700 0.068 0.000 0.783 136 M N 1.986 121.677 119.600 0.152 0.000 2.572 136 M HA 0.295 4.757 4.480 -0.029 0.000 0.299 136 M C -0.290 176.082 176.300 0.119 0.000 1.205 136 M CA -1.426 53.989 55.300 0.191 0.000 0.876 136 M CB 2.485 35.183 32.600 0.163 0.000 1.728 136 M HN -0.018 nan 8.290 nan 0.000 0.458 137 V N 1.317 121.312 119.914 0.134 0.000 2.585 137 V HA 0.053 4.155 4.120 -0.029 0.000 0.296 137 V C 0.586 176.720 176.094 0.067 0.000 1.035 137 V CA -0.141 62.230 62.300 0.118 0.000 1.084 137 V CB 0.947 32.883 31.823 0.189 0.000 0.953 137 V HN 0.923 nan 8.190 nan 0.000 0.483 138 S N 6.926 122.615 115.700 -0.018 0.000 2.549 138 S HA 0.223 4.676 4.470 -0.029 0.000 0.279 138 S C -0.719 173.638 174.600 -0.405 0.000 1.321 138 S CA -1.086 57.013 58.200 -0.168 0.000 1.054 138 S CB 0.991 64.110 63.200 -0.134 0.000 0.899 138 S HN 0.732 nan 8.310 nan 0.000 0.497 139 P HA -0.081 nan 4.420 nan 0.000 0.226 139 P C 0.584 177.347 177.300 -0.895 0.000 1.153 139 P CA 0.938 63.008 63.100 -1.717 0.000 0.777 139 P CB -0.251 30.597 31.700 -1.421 0.000 0.794 140 N N 0.146 118.605 118.700 -0.401 0.000 2.417 140 N HA -0.118 4.605 4.740 -0.029 0.000 0.187 140 N C 0.666 176.098 175.510 -0.129 0.000 1.027 140 N CA 0.685 53.634 53.050 -0.167 0.000 0.891 140 N CB -0.227 38.208 38.487 -0.086 0.000 0.956 140 N HN 0.200 nan 8.380 nan 0.000 0.442 141 D N -0.537 119.799 120.400 -0.107 0.000 2.462 141 D HA 0.090 4.713 4.640 -0.029 0.000 0.221 141 D C -0.060 176.368 176.300 0.214 0.000 1.173 141 D CA -0.070 53.957 54.000 0.044 0.000 0.831 141 D CB 0.235 41.069 40.800 0.056 0.000 1.001 141 D HN 0.177 nan 8.370 nan 0.000 0.499 142 F N 0.615 120.562 119.950 -0.005 0.000 2.403 142 F HA 0.264 4.774 4.527 -0.029 0.000 0.320 142 F C 0.831 176.649 175.800 0.030 0.000 1.176 142 F CA -0.552 57.454 58.000 0.011 0.000 1.206 142 F CB 1.219 40.226 39.000 0.011 0.000 1.235 142 F HN -0.362 nan 8.300 nan 0.000 0.565 143 V N 2.900 122.977 119.914 0.273 0.000 2.447 143 V HA 0.273 4.376 4.120 -0.029 0.000 0.292 143 V C -0.772 175.482 176.094 0.267 0.000 1.021 143 V CA -0.648 61.778 62.300 0.209 0.000 0.850 143 V CB 1.728 33.618 31.823 0.111 0.000 1.005 143 V HN 0.480 nan 8.190 nan 0.000 0.426 144 V N 4.812 124.846 119.914 0.200 0.000 2.495 144 V HA 0.904 5.006 4.120 -0.029 0.000 0.298 144 V C -0.142 175.946 176.094 -0.010 0.000 1.031 144 V CA 0.422 62.778 62.300 0.094 0.000 0.871 144 V CB 2.079 33.946 31.823 0.074 0.000 0.988 144 V HN 0.947 nan 8.190 nan 0.000 0.432 145 S N 4.097 119.643 115.700 -0.257 0.000 2.971 145 S HA 1.054 5.507 4.470 -0.029 0.000 0.320 145 S C -0.145 174.133 174.600 -0.535 0.000 1.111 145 S CA 0.191 58.114 58.200 -0.462 0.000 0.870 145 S CB 1.556 64.266 63.200 -0.817 0.000 1.331 145 S HN 2.350 nan 8.310 nan 0.000 0.635 146 G N -0.598 107.779 108.800 -0.705 0.000 2.362 146 G HA2 0.211 4.154 3.960 -0.029 0.000 0.288 146 G HA3 0.211 4.154 3.960 -0.029 0.000 0.288 146 G C -2.002 172.568 174.900 -0.550 0.000 1.305 146 G CA -0.628 44.071 45.100 -0.667 0.000 0.910 146 G HN 0.607 nan 8.290 nan 0.000 0.518 147 W N -0.265 120.970 121.300 -0.108 0.000 2.820 147 W HA 0.732 5.375 4.660 -0.028 0.000 0.350 147 W C -0.948 175.488 176.519 -0.139 0.000 1.116 147 W CA -0.285 57.021 57.345 -0.065 0.000 1.146 147 W CB 2.440 31.936 29.460 0.059 0.000 1.433 147 W HN 0.611 nan 8.180 nan 0.000 0.561 148 D N 0.711 121.195 120.400 0.141 0.000 2.812 148 D HA 0.086 4.709 4.640 -0.029 0.000 0.210 148 D C 0.467 176.761 176.300 -0.009 0.000 1.260 148 D CA -0.398 53.595 54.000 -0.011 0.000 0.817 148 D CB 1.725 42.494 40.800 -0.051 0.000 1.694 148 D HN 0.403 nan 8.370 nan 0.000 0.530 149 I N 0.522 121.051 120.570 -0.067 0.000 3.010 149 I HA 0.056 4.209 4.170 -0.029 0.000 0.271 149 I C 0.425 176.485 176.117 -0.096 0.000 1.293 149 I CA 0.628 61.873 61.300 -0.092 0.000 1.452 149 I CB -0.047 37.826 38.000 -0.212 0.000 1.082 149 I HN 0.073 nan 8.210 nan 0.000 0.484 150 N N 2.610 121.262 118.700 -0.080 0.000 2.372 150 N HA 0.112 4.834 4.740 -0.029 0.000 0.285 150 N C 0.290 175.776 175.510 -0.039 0.000 1.008 150 N CA -0.402 52.610 53.050 -0.063 0.000 0.880 150 N CB 0.986 39.431 38.487 -0.070 0.000 1.239 150 N HN 0.396 nan 8.380 nan 0.000 0.484 151 N N 2.382 121.066 118.700 -0.026 0.000 2.521 151 N HA -0.046 4.677 4.740 -0.029 0.000 0.188 151 N C 0.447 175.947 175.510 -0.017 0.000 1.146 151 N CA -0.377 52.663 53.050 -0.016 0.000 0.893 151 N CB 0.298 38.782 38.487 -0.006 0.000 0.975 151 N HN 0.323 nan 8.380 nan 0.000 0.451 152 A N 1.785 124.590 122.820 -0.024 0.000 2.492 152 A HA 0.058 4.361 4.320 -0.029 0.000 0.236 152 A C 0.079 177.654 177.584 -0.016 0.000 1.078 152 A CA -0.124 51.902 52.037 -0.020 0.000 0.773 152 A CB 0.035 19.015 19.000 -0.032 0.000 1.023 152 A HN 0.652 nan 8.150 nan 0.000 0.504 153 D N -0.252 120.148 120.400 0.001 0.000 2.383 153 D HA 0.298 4.921 4.640 -0.029 0.000 0.248 153 D C 0.420 176.723 176.300 0.006 0.000 1.170 153 D CA -0.704 53.303 54.000 0.012 0.000 0.977 153 D CB 0.314 41.140 40.800 0.043 0.000 1.120 153 D HN 0.119 nan 8.370 nan 0.000 0.481 154 L N 0.105 121.335 121.223 0.012 0.000 2.465 154 L HA 0.001 4.324 4.340 -0.029 0.000 0.224 154 L C 1.468 178.344 176.870 0.011 0.000 1.145 154 L CA 0.975 55.812 54.840 -0.004 0.000 0.834 154 L CB -1.486 40.570 42.059 -0.006 0.000 0.944 154 L HN 0.571 nan 8.230 nan 0.000 0.451 155 Y N 0.484 120.758 120.300 -0.043 0.000 2.243 155 Y HA -0.137 4.396 4.550 -0.028 0.000 0.293 155 Y C 2.240 178.116 175.900 -0.040 0.000 1.124 155 Y CA 1.526 59.596 58.100 -0.049 0.000 1.159 155 Y CB 0.035 38.466 38.460 -0.048 0.000 1.008 155 Y HN 0.313 nan 8.280 nan 0.000 0.527 156 E N 0.101 120.180 120.200 -0.202 0.000 2.106 156 E HA -0.112 4.221 4.350 -0.029 0.000 0.192 156 E C 2.330 178.807 176.600 -0.205 0.000 0.984 156 E CA 0.924 57.184 56.400 -0.234 0.000 0.806 156 E CB -0.269 29.395 29.700 -0.061 0.000 0.750 156 E HN 0.531 nan 8.360 nan 0.000 0.458 157 A N 0.976 123.715 122.820 -0.136 0.000 1.969 157 A HA -0.139 4.164 4.320 -0.029 0.000 0.218 157 A C 2.119 179.620 177.584 -0.138 0.000 1.169 157 A CA 1.128 53.099 52.037 -0.110 0.000 0.635 157 A CB -0.355 18.599 19.000 -0.077 0.000 0.810 157 A HN 0.131 nan 8.150 nan 0.000 0.445 158 M N -1.288 118.201 119.600 -0.184 0.000 2.200 158 M HA -0.156 4.307 4.480 -0.029 0.000 0.265 158 M C 2.415 178.597 176.300 -0.195 0.000 1.066 158 M CA 1.250 56.450 55.300 -0.167 0.000 1.127 158 M CB -0.342 32.160 32.600 -0.164 0.000 1.379 158 M HN 0.493 nan 8.290 nan 0.000 0.420 159 Q N 0.259 119.873 119.800 -0.309 0.000 2.030 159 Q HA -0.214 4.108 4.340 -0.029 0.000 0.204 159 Q C 2.094 178.008 176.000 -0.143 0.000 0.986 159 Q CA 1.608 57.253 55.803 -0.264 0.000 0.843 159 Q CB -0.252 28.269 28.738 -0.362 0.000 0.904 159 Q HN 0.424 nan 8.270 nan 0.000 0.420 160 R N -0.217 120.201 120.500 -0.136 0.000 2.293 160 R HA -0.058 4.265 4.340 -0.029 0.000 0.219 160 R C 1.405 177.666 176.300 -0.065 0.000 1.091 160 R CA 1.270 57.317 56.100 -0.089 0.000 1.004 160 R CB 0.120 30.370 30.300 -0.083 0.000 0.865 160 R HN 0.045 nan 8.270 nan 0.000 0.469 161 S N 0.351 116.010 115.700 -0.069 0.000 2.492 161 S HA 0.019 4.471 4.470 -0.029 0.000 0.218 161 S C -0.114 174.466 174.600 -0.034 0.000 1.016 161 S CA 0.096 58.269 58.200 -0.045 0.000 0.916 161 S CB 0.449 63.620 63.200 -0.049 0.000 0.791 161 S HN 0.432 nan 8.310 nan 0.000 0.513 162 Q N 0.154 119.929 119.800 -0.043 0.000 2.435 162 Q HA -0.177 4.146 4.340 -0.029 0.000 0.286 162 Q C 0.956 176.947 176.000 -0.015 0.000 1.229 162 Q CA 0.691 56.480 55.803 -0.024 0.000 0.884 162 Q CB -2.340 26.389 28.738 -0.015 0.000 1.245 162 Q HN 0.548 nan 8.270 nan 0.000 0.488 163 V N -2.085 117.815 119.914 -0.024 0.000 2.599 163 V HA 0.071 4.173 4.120 -0.029 0.000 0.245 163 V C 0.705 176.788 176.094 -0.018 0.000 1.046 163 V CA 0.751 63.041 62.300 -0.016 0.000 1.065 163 V CB 0.273 32.088 31.823 -0.014 0.000 0.703 163 V HN 0.322 nan 8.190 nan 0.000 0.464 164 L N 1.388 122.587 121.223 -0.041 0.000 2.360 164 L HA 0.555 4.878 4.340 -0.029 0.000 0.271 164 L C 0.531 177.384 176.870 -0.029 0.000 1.057 164 L CA -0.356 54.449 54.840 -0.058 0.000 0.803 164 L CB 0.911 42.894 42.059 -0.126 0.000 1.207 164 L HN 0.339 nan 8.230 nan 0.000 0.445 165 E N 0.595 120.788 120.200 -0.012 0.000 2.565 165 E HA -0.218 4.114 4.350 -0.029 0.000 0.268 165 E C 0.471 177.096 176.600 0.040 0.000 1.000 165 E CA 0.569 57.004 56.400 0.058 0.000 0.964 165 E CB 0.601 30.395 29.700 0.156 0.000 0.955 165 E HN 0.495 nan 8.360 nan 0.000 0.459 166 Y N 2.820 123.131 120.300 0.018 0.000 2.163 166 Y HA -0.232 4.301 4.550 -0.029 0.000 0.288 166 Y C 1.874 177.790 175.900 0.027 0.000 1.136 166 Y CA 2.391 60.501 58.100 0.016 0.000 1.147 166 Y CB -0.010 38.465 38.460 0.024 0.000 0.987 166 Y HN 0.600 nan 8.280 nan 0.000 0.509 167 D N -0.508 119.910 120.400 0.030 0.000 2.348 167 D HA -0.124 4.499 4.640 -0.029 0.000 0.216 167 D C 1.904 178.154 176.300 -0.084 0.000 0.970 167 D CA 0.748 54.732 54.000 -0.027 0.000 0.889 167 D CB -0.207 40.668 40.800 0.125 0.000 0.912 167 D HN 0.389 nan 8.370 nan 0.000 0.524 168 L N -0.249 120.880 121.223 -0.156 0.000 2.357 168 L HA 0.142 4.465 4.340 -0.029 0.000 0.211 168 L C 1.624 178.349 176.870 -0.242 0.000 1.075 168 L CA 1.038 55.697 54.840 -0.301 0.000 0.830 168 L CB -0.730 40.858 42.059 -0.784 0.000 0.996 168 L HN 0.068 nan 8.230 nan 0.000 0.467 169 Q N -0.210 119.459 119.800 -0.217 0.000 2.084 169 Q HA -0.218 4.105 4.340 -0.029 0.000 0.202 169 Q C 2.017 177.962 176.000 -0.092 0.000 0.978 169 Q CA 1.630 57.349 55.803 -0.140 0.000 0.844 169 Q CB -0.012 28.639 28.738 -0.145 0.000 0.898 169 Q HN 0.562 nan 8.270 nan 0.000 0.426 170 Q N 0.632 120.279 119.800 -0.256 0.000 2.050 170 Q HA -0.132 4.190 4.340 -0.029 0.000 0.202 170 Q C 1.957 177.865 176.000 -0.152 0.000 0.980 170 Q CA 1.339 57.002 55.803 -0.233 0.000 0.840 170 Q CB -0.329 28.197 28.738 -0.353 0.000 0.898 170 Q HN 0.397 nan 8.270 nan 0.000 0.424 171 R N 0.177 120.600 120.500 -0.127 0.000 2.241 171 R HA -0.019 4.304 4.340 -0.029 0.000 0.224 171 R C 1.819 178.062 176.300 -0.096 0.000 1.101 171 R CA 0.679 56.722 56.100 -0.094 0.000 0.995 171 R CB -0.070 30.191 30.300 -0.065 0.000 0.870 171 R HN 0.227 nan 8.270 nan 0.000 0.463 172 L N -0.117 121.049 121.223 -0.094 0.000 2.766 172 L HA 0.136 4.458 4.340 -0.029 0.000 0.242 172 L C 2.093 178.931 176.870 -0.053 0.000 1.136 172 L CA -0.075 54.724 54.840 -0.068 0.000 0.933 172 L CB 0.066 42.093 42.059 -0.054 0.000 1.241 172 L HN 0.031 nan 8.230 nan 0.000 0.522 173 K N 1.694 122.031 120.400 -0.104 0.000 2.032 173 K HA -0.211 4.092 4.320 -0.029 0.000 0.209 173 K C 2.119 178.567 176.600 -0.254 0.000 1.048 173 K CA 1.767 57.893 56.287 -0.268 0.000 0.927 173 K CB -0.031 32.142 32.500 -0.545 0.000 0.712 173 K HN 0.250 nan 8.250 nan 0.000 0.441 174 A N 1.391 124.092 122.820 -0.200 0.000 1.865 174 A HA -0.197 4.106 4.320 -0.029 0.000 0.217 174 A C 1.943 179.465 177.584 -0.103 0.000 1.191 174 A CA 2.010 53.958 52.037 -0.149 0.000 0.623 174 A CB -0.432 18.492 19.000 -0.127 0.000 0.826 174 A HN 0.406 nan 8.150 nan 0.000 0.444 175 K N -0.979 119.369 120.400 -0.087 0.000 2.103 175 K HA 0.044 4.347 4.320 -0.029 0.000 0.204 175 K C 2.009 178.597 176.600 -0.020 0.000 1.052 175 K CA 1.256 57.511 56.287 -0.054 0.000 0.945 175 K CB -0.200 32.267 32.500 -0.055 0.000 0.722 175 K HN 0.382 nan 8.250 nan 0.000 0.443 176 M N 0.898 120.499 119.600 0.001 0.000 2.254 176 M HA -0.047 4.415 4.480 -0.029 0.000 0.265 176 M C 1.969 178.308 176.300 0.064 0.000 1.066 176 M CA 1.324 56.652 55.300 0.047 0.000 1.123 176 M CB -0.570 32.084 32.600 0.089 0.000 1.388 176 M HN 0.022 nan 8.290 nan 0.000 0.425 177 S N 1.476 117.205 115.700 0.049 0.000 2.442 177 S HA -0.057 4.396 4.470 -0.029 0.000 0.236 177 S C 1.887 176.495 174.600 0.013 0.000 1.007 177 S CA 0.914 59.142 58.200 0.048 0.000 0.965 177 S CB -0.702 62.486 63.200 -0.020 0.000 0.773 177 S HN 0.482 nan 8.310 nan 0.000 0.504 178 L N 1.104 122.325 121.223 -0.004 0.000 2.376 178 L HA 0.096 4.419 4.340 -0.029 0.000 0.219 178 L C 0.298 177.168 176.870 -0.000 0.000 1.133 178 L CA 0.172 55.009 54.840 -0.006 0.000 0.816 178 L CB -0.640 41.412 42.059 -0.012 0.000 0.933 178 L HN 0.125 nan 8.230 nan 0.000 0.449 179 V N 1.197 121.114 119.914 0.005 0.000 2.461 179 V HA 0.202 4.305 4.120 -0.029 0.000 0.275 179 V C 0.103 176.189 176.094 -0.014 0.000 1.047 179 V CA -0.410 61.887 62.300 -0.005 0.000 0.955 179 V CB 0.915 32.736 31.823 -0.002 0.000 0.988 179 V HN 0.188 nan 8.190 nan 0.000 0.471 180 K N 5.220 125.603 120.400 -0.028 0.000 2.316 180 K HA 0.557 4.860 4.320 -0.029 0.000 0.251 180 K C -2.792 173.771 176.600 -0.063 0.000 0.934 180 K CA -1.800 54.467 56.287 -0.034 0.000 0.802 180 K CB 2.275 34.761 32.500 -0.023 0.000 1.171 180 K HN 0.361 nan 8.250 nan 0.000 0.426 181 P HA 0.156 nan 4.420 nan 0.000 0.275 181 P C -0.553 176.706 177.300 -0.068 0.000 1.227 181 P CA -0.252 62.800 63.100 -0.079 0.000 0.781 181 P CB 0.576 32.248 31.700 -0.046 0.000 0.906 182 L N 4.777 125.926 121.223 -0.122 0.000 2.466 182 L HA 0.352 4.675 4.340 -0.029 0.000 0.257 182 L C -1.772 175.159 176.870 0.103 0.000 1.189 182 L CA -1.867 52.931 54.840 -0.069 0.000 0.813 182 L CB 0.174 42.081 42.059 -0.252 0.000 1.118 182 L HN 0.266 nan 8.230 nan 0.000 0.471 183 P HA 0.115 nan 4.420 nan 0.000 0.276 183 P C -0.858 176.617 177.300 0.292 0.000 1.244 183 P CA -0.251 62.948 63.100 0.165 0.000 0.801 183 P CB 1.873 33.636 31.700 0.104 0.000 1.006 184 S N 0.484 116.302 115.700 0.197 0.000 2.874 184 S HA 0.623 5.075 4.470 -0.029 0.000 0.318 184 S C -0.574 174.068 174.600 0.070 0.000 1.109 184 S CA -0.960 57.360 58.200 0.199 0.000 0.878 184 S CB 0.568 63.903 63.200 0.225 0.000 1.307 184 S HN 0.279 nan 8.310 nan 0.000 0.592 185 I N 2.461 123.070 120.570 0.065 0.000 2.377 185 I HA 0.367 4.520 4.170 -0.029 0.000 0.293 185 I C -1.444 174.594 176.117 -0.132 0.000 0.987 185 I CA -0.609 60.583 61.300 -0.181 0.000 1.185 185 I CB 1.381 39.149 38.000 -0.387 0.000 1.341 185 I HN 0.560 nan 8.210 nan 0.000 0.455 186 Y N 7.682 127.808 120.300 -0.290 0.000 2.447 186 Y HA 0.393 4.925 4.550 -0.031 0.000 0.325 186 Y C -1.508 174.419 175.900 0.046 0.000 0.976 186 Y CA -1.516 56.525 58.100 -0.098 0.000 1.280 186 Y CB 0.534 38.986 38.460 -0.013 0.000 1.104 186 Y HN 0.364 nan 8.280 nan 0.000 0.486 187 Y N 8.766 128.973 120.300 -0.154 0.000 2.717 187 Y HA 0.230 4.761 4.550 -0.030 0.000 0.329 187 Y C -1.382 174.401 175.900 -0.195 0.000 1.017 187 Y CA -2.417 55.599 58.100 -0.140 0.000 1.275 187 Y CB 1.011 39.524 38.460 0.088 0.000 1.109 187 Y HN 0.475 nan 8.280 nan 0.000 0.511 188 P HA -0.274 nan 4.420 nan 0.000 0.218 188 P C 0.257 177.565 177.300 0.012 0.000 1.154 188 P CA 1.649 64.522 63.100 -0.379 0.000 0.872 188 P CB 0.398 31.886 31.700 -0.353 0.000 0.790 189 D N -1.671 118.741 120.400 0.021 0.000 2.494 189 D HA 0.082 4.704 4.640 -0.029 0.000 0.249 189 D C 0.609 176.827 176.300 -0.137 0.000 1.223 189 D CA 0.258 54.234 54.000 -0.041 0.000 0.865 189 D CB -0.501 40.231 40.800 -0.114 0.000 0.974 189 D HN 0.267 nan 8.370 nan 0.000 0.491 190 F N -0.000 119.994 119.950 0.074 0.000 2.834 190 F HA 0.103 4.614 4.527 -0.027 0.000 0.332 190 F C 0.843 176.713 175.800 0.117 0.000 1.056 190 F CA -0.343 57.718 58.000 0.102 0.000 1.178 190 F CB 0.834 39.922 39.000 0.147 0.000 1.037 190 F HN -0.101 nan 8.300 nan 0.000 0.580 191 I N -1.421 119.317 120.570 0.281 0.000 3.436 191 I HA 0.690 4.842 4.170 -0.029 0.000 0.296 191 I C 0.155 176.340 176.117 0.114 0.000 1.143 191 I CA -1.740 59.688 61.300 0.212 0.000 1.009 191 I CB 0.243 38.391 38.000 0.246 0.000 1.301 191 I HN -0.172 nan 8.210 nan 0.000 0.503 192 A N 1.173 124.025 122.820 0.054 0.000 2.438 192 A HA 0.519 4.822 4.320 -0.029 0.000 0.280 192 A C 1.556 179.126 177.584 -0.022 0.000 1.160 192 A CA 0.303 52.317 52.037 -0.037 0.000 0.821 192 A CB -0.453 18.456 19.000 -0.152 0.000 1.101 192 A HN 1.238 nan 8.150 nan 0.000 0.515 193 A N 3.297 126.114 122.820 -0.005 0.000 2.016 193 A HA -0.343 3.960 4.320 -0.029 0.000 0.225 193 A C 1.825 179.423 177.584 0.023 0.000 1.230 193 A CA 2.422 54.474 52.037 0.025 0.000 0.678 193 A CB -1.227 17.773 19.000 -0.000 0.000 0.826 193 A HN 1.107 nan 8.150 nan 0.000 0.484 194 N N -1.775 116.888 118.700 -0.061 0.000 2.609 194 N HA -0.128 4.595 4.740 -0.029 0.000 0.190 194 N C 0.941 176.471 175.510 0.033 0.000 1.157 194 N CA 0.715 53.734 53.050 -0.051 0.000 0.918 194 N CB -0.108 38.206 38.487 -0.288 0.000 0.978 194 N HN 0.543 nan 8.380 nan 0.000 0.448 195 Q N 0.475 120.285 119.800 0.018 0.000 2.280 195 Q HA 0.032 4.355 4.340 -0.029 0.000 0.201 195 Q C 0.631 176.616 176.000 -0.026 0.000 0.890 195 Q CA 0.013 55.824 55.803 0.014 0.000 0.947 195 Q CB 0.217 28.956 28.738 0.001 0.000 1.081 195 Q HN 0.504 nan 8.270 nan 0.000 0.502 196 D N 2.414 122.859 120.400 0.074 0.000 2.084 196 D HA -0.227 4.395 4.640 -0.029 0.000 0.231 196 D C 1.255 177.563 176.300 0.012 0.000 1.023 196 D CA 1.694 55.766 54.000 0.119 0.000 0.934 196 D CB 0.237 41.128 40.800 0.152 0.000 1.205 196 D HN 0.353 nan 8.370 nan 0.000 0.485 197 E N 0.554 120.778 120.200 0.040 0.000 2.449 197 E HA -0.270 4.063 4.350 -0.029 0.000 0.206 197 E C 1.921 178.506 176.600 -0.024 0.000 1.064 197 E CA 1.398 57.808 56.400 0.016 0.000 0.875 197 E CB -0.463 29.255 29.700 0.031 0.000 0.796 197 E HN 0.232 nan 8.360 nan 0.000 0.550 198 R N 0.656 121.118 120.500 -0.063 0.000 2.240 198 R HA 0.160 4.483 4.340 -0.029 0.000 0.203 198 R C 0.534 176.752 176.300 -0.137 0.000 1.011 198 R CA 0.674 56.724 56.100 -0.084 0.000 1.007 198 R CB 0.007 30.260 30.300 -0.079 0.000 0.911 198 R HN 0.209 nan 8.270 nan 0.000 0.468 199 A N 2.846 125.534 122.820 -0.220 0.000 2.981 199 A HA 0.023 4.325 4.320 -0.029 0.000 0.280 199 A C -0.332 177.191 177.584 -0.102 0.000 1.797 199 A CA -0.338 51.528 52.037 -0.286 0.000 1.456 199 A CB -0.609 17.974 19.000 -0.693 0.000 1.057 199 A HN 0.600 nan 8.150 nan 0.000 0.602 200 N N 0.165 118.826 118.700 -0.066 0.000 2.275 200 N HA 0.023 4.746 4.740 -0.029 0.000 0.236 200 N C -0.392 175.118 175.510 -0.001 0.000 1.154 200 N CA -0.219 52.822 53.050 -0.016 0.000 0.866 200 N CB -0.274 38.206 38.487 -0.012 0.000 1.093 200 N HN 0.561 nan 8.380 nan 0.000 0.515 201 N N 0.086 118.784 118.700 -0.003 0.000 2.703 201 N HA 0.242 4.965 4.740 -0.029 0.000 0.283 201 N C -1.430 174.108 175.510 0.046 0.000 1.851 201 N CA -0.417 52.645 53.050 0.021 0.000 0.826 201 N CB 0.337 38.831 38.487 0.012 0.000 1.239 201 N HN 0.106 nan 8.380 nan 0.000 0.495 202 C N 1.139 120.474 119.300 0.058 0.000 2.411 202 C HA 0.432 4.875 4.460 -0.029 0.000 0.330 202 C C 1.973 176.992 174.990 0.049 0.000 1.224 202 C CA -0.817 58.242 59.018 0.068 0.000 1.770 202 C CB 0.436 28.242 27.740 0.109 0.000 2.297 202 C HN 0.634 nan 8.230 nan 0.000 0.507 203 I N 0.407 120.991 120.570 0.023 0.000 3.645 203 I HA 0.105 4.258 4.170 -0.029 0.000 0.300 203 I C 0.720 176.833 176.117 -0.006 0.000 1.260 203 I CA 0.483 61.799 61.300 0.028 0.000 1.365 203 I CB -0.294 37.729 38.000 0.038 0.000 1.077 203 I HN 0.712 nan 8.210 nan 0.000 0.439 204 N N 3.958 122.594 118.700 -0.107 0.000 2.807 204 N HA 0.296 5.019 4.740 -0.029 0.000 0.259 204 N C -0.919 174.583 175.510 -0.014 0.000 1.149 204 N CA -0.044 52.889 53.050 -0.195 0.000 1.042 204 N CB 0.784 38.910 38.487 -0.601 0.000 1.367 204 N HN 0.424 nan 8.380 nan 0.000 0.516 205 L N 1.037 122.290 121.223 0.049 0.000 2.346 205 L HA 0.371 4.694 4.340 -0.029 0.000 0.274 205 L C -0.074 176.843 176.870 0.078 0.000 1.007 205 L CA -1.207 53.670 54.840 0.061 0.000 0.818 205 L CB 1.718 43.811 42.059 0.058 0.000 1.284 205 L HN 0.360 nan 8.230 nan 0.000 0.424 206 D N 0.736 121.177 120.400 0.068 0.000 2.210 206 D HA 0.036 4.659 4.640 -0.029 0.000 0.249 206 D C 0.091 176.423 176.300 0.053 0.000 1.062 206 D CA -0.672 53.368 54.000 0.066 0.000 0.891 206 D CB 1.403 42.237 40.800 0.056 0.000 1.186 206 D HN 0.358 nan 8.370 nan 0.000 0.432 207 E N 0.345 120.575 120.200 0.050 0.000 3.999 207 E HA -0.137 4.195 4.350 -0.029 0.000 0.262 207 E C 0.092 176.713 176.600 0.035 0.000 1.161 207 E CA 0.758 57.183 56.400 0.041 0.000 1.155 207 E CB -0.262 29.459 29.700 0.036 0.000 1.016 207 E HN 0.482 nan 8.360 nan 0.000 0.415 208 K N -2.160 118.262 120.400 0.036 0.000 3.001 208 K HA 0.335 4.637 4.320 -0.029 0.000 0.241 208 K C 1.043 177.663 176.600 0.034 0.000 2.102 208 K CA 0.564 56.870 56.287 0.032 0.000 1.314 208 K CB 0.294 32.813 32.500 0.031 0.000 2.395 208 K HN 0.090 nan 8.250 nan 0.000 0.470 209 G N -0.044 108.780 108.800 0.039 0.000 4.258 209 G HA2 0.011 3.954 3.960 -0.029 0.000 0.208 209 G HA3 0.011 3.954 3.960 -0.029 0.000 0.208 209 G C -1.037 173.891 174.900 0.048 0.000 0.777 209 G CA -0.377 44.748 45.100 0.041 0.000 0.836 209 G HN 0.235 nan 8.290 nan 0.000 0.499 210 N N 1.306 120.034 118.700 0.047 0.000 2.518 210 N HA 0.413 5.136 4.740 -0.029 0.000 0.266 210 N C 0.455 176.000 175.510 0.057 0.000 1.196 210 N CA 0.123 53.204 53.050 0.052 0.000 0.947 210 N CB 2.200 40.714 38.487 0.044 0.000 1.098 210 N HN 0.507 nan 8.380 nan 0.000 0.450 211 V N -0.139 119.816 119.914 0.069 0.000 2.540 211 V HA 0.258 4.361 4.120 -0.029 0.000 0.297 211 V C 0.583 176.703 176.094 0.043 0.000 1.024 211 V CA 0.006 62.345 62.300 0.065 0.000 1.105 211 V CB 0.445 32.326 31.823 0.097 0.000 0.938 211 V HN 0.708 nan 8.190 nan 0.000 0.482 212 T N 3.064 117.647 114.554 0.049 0.000 2.883 212 T HA 0.520 4.853 4.350 -0.029 0.000 0.284 212 T C 0.480 175.219 174.700 0.065 0.000 1.041 212 T CA 0.264 62.395 62.100 0.051 0.000 1.007 212 T CB 2.157 71.070 68.868 0.074 0.000 1.220 212 T HN 0.875 nan 8.240 nan 0.000 0.552 213 T N 0.097 114.666 114.554 0.025 0.000 3.058 213 T HA 0.311 4.644 4.350 -0.029 0.000 0.278 213 T C 0.555 175.257 174.700 0.002 0.000 0.974 213 T CA -0.329 61.714 62.100 -0.096 0.000 0.893 213 T CB -0.090 68.665 68.868 -0.189 0.000 1.138 213 T HN 0.488 nan 8.240 nan 0.000 0.529 214 R N 0.434 120.982 120.500 0.080 0.000 2.490 214 R HA 0.470 4.793 4.340 -0.029 0.000 0.278 214 R C 0.747 177.142 176.300 0.158 0.000 1.069 214 R CA 1.062 57.209 56.100 0.078 0.000 1.080 214 R CB 0.292 30.626 30.300 0.058 0.000 1.030 214 R HN 0.264 nan 8.270 nan 0.000 0.491 215 G N 2.840 111.662 108.800 0.036 0.000 2.165 215 G HA2 -0.232 3.711 3.960 -0.029 0.000 0.226 215 G HA3 -0.232 3.711 3.960 -0.029 0.000 0.226 215 G C 0.513 175.018 174.900 -0.659 0.000 1.035 215 G CA 0.299 45.314 45.100 -0.142 0.000 0.744 215 G HN 0.736 nan 8.290 nan 0.000 0.501 216 K N -1.076 119.155 120.400 -0.281 0.000 2.147 216 K HA -0.087 4.215 4.320 -0.029 0.000 0.205 216 K C 1.985 178.446 176.600 -0.232 0.000 1.049 216 K CA 1.252 57.417 56.287 -0.203 0.000 0.936 216 K CB -0.068 32.486 32.500 0.089 0.000 0.722 216 K HN 0.615 nan 8.250 nan 0.000 0.446 217 W N 2.138 123.296 121.300 -0.236 0.000 2.388 217 W HA -0.185 4.458 4.660 -0.029 0.000 0.294 217 W C 2.148 178.554 176.519 -0.189 0.000 1.212 217 W CA 2.150 59.396 57.345 -0.164 0.000 1.271 217 W CB -0.126 29.269 29.460 -0.109 0.000 1.126 217 W HN 0.196 nan 8.180 nan 0.000 0.535 218 T N -2.169 112.273 114.554 -0.187 0.000 2.951 218 T HA -0.204 4.128 4.350 -0.029 0.000 0.268 218 T C 1.533 176.123 174.700 -0.184 0.000 1.073 218 T CA 1.579 63.587 62.100 -0.152 0.000 1.134 218 T CB -0.641 68.199 68.868 -0.048 0.000 0.884 218 T HN 0.139 nan 8.240 nan 0.000 0.479 219 H N 1.049 120.070 119.070 -0.082 0.000 2.363 219 H HA 0.190 4.729 4.556 -0.029 0.000 0.301 219 H C 2.483 177.638 175.328 -0.288 0.000 1.074 219 H CA 0.907 56.868 56.048 -0.145 0.000 1.354 219 H CB -0.920 28.782 29.762 -0.101 0.000 1.397 219 H HN 0.233 nan 8.280 nan 0.000 0.516 220 L N 1.358 122.381 121.223 -0.334 0.000 2.043 220 L HA -0.228 4.094 4.340 -0.029 0.000 0.212 220 L C 1.744 178.335 176.870 -0.464 0.000 1.075 220 L CA 1.804 56.344 54.840 -0.501 0.000 0.752 220 L CB -0.552 41.046 42.059 -0.769 0.000 0.891 220 L HN 0.277 nan 8.230 nan 0.000 0.432 221 Q N -0.834 118.704 119.800 -0.436 0.000 2.172 221 Q HA -0.208 4.115 4.340 -0.029 0.000 0.200 221 Q C 2.102 178.019 176.000 -0.137 0.000 0.964 221 Q CA 1.305 56.949 55.803 -0.265 0.000 0.855 221 Q CB -0.049 28.581 28.738 -0.179 0.000 0.918 221 Q HN 0.355 nan 8.270 nan 0.000 0.444 222 R N 1.034 121.470 120.500 -0.106 0.000 2.115 222 R HA -0.089 4.234 4.340 -0.029 0.000 0.230 222 R C 1.708 177.993 176.300 -0.025 0.000 1.111 222 R CA 1.273 57.355 56.100 -0.030 0.000 0.976 222 R CB -0.364 29.945 30.300 0.015 0.000 0.870 222 R HN 0.143 nan 8.270 nan 0.000 0.445 223 I N 1.085 121.574 120.570 -0.134 0.000 2.202 223 I HA -0.194 3.959 4.170 -0.029 0.000 0.242 223 I C 2.146 178.274 176.117 0.019 0.000 1.091 223 I CA 1.445 62.673 61.300 -0.120 0.000 1.368 223 I CB -1.055 36.617 38.000 -0.547 0.000 1.058 223 I HN 0.240 nan 8.210 nan 0.000 0.410 224 R N 0.482 120.943 120.500 -0.064 0.000 2.103 224 R HA -0.242 4.080 4.340 -0.029 0.000 0.242 224 R C 2.342 178.673 176.300 0.052 0.000 1.142 224 R CA 1.753 57.852 56.100 -0.003 0.000 0.960 224 R CB -0.597 29.667 30.300 -0.059 0.000 0.858 224 R HN 0.236 nan 8.270 nan 0.000 0.439 225 R N 1.688 122.209 120.500 0.035 0.000 2.096 225 R HA -0.162 4.161 4.340 -0.029 0.000 0.240 225 R C 1.482 177.837 176.300 0.091 0.000 1.139 225 R CA 2.235 58.368 56.100 0.055 0.000 0.952 225 R CB -0.578 29.746 30.300 0.040 0.000 0.854 225 R HN 0.231 nan 8.270 nan 0.000 0.436 226 D N 0.006 120.487 120.400 0.135 0.000 2.117 226 D HA -0.150 4.473 4.640 -0.029 0.000 0.197 226 D C 2.034 178.433 176.300 0.166 0.000 0.987 226 D CA 1.752 55.844 54.000 0.154 0.000 0.829 226 D CB -0.165 40.787 40.800 0.253 0.000 0.961 226 D HN 0.362 nan 8.370 nan 0.000 0.460 227 I N 0.957 121.662 120.570 0.226 0.000 2.252 227 I HA -0.254 3.898 4.170 -0.029 0.000 0.245 227 I C 2.551 178.781 176.117 0.190 0.000 1.102 227 I CA 1.009 62.451 61.300 0.236 0.000 1.385 227 I CB -0.194 37.946 38.000 0.233 0.000 1.064 227 I HN -0.092 nan 8.210 nan 0.000 0.414 228 Q N 0.282 120.158 119.800 0.127 0.000 2.084 228 Q HA -0.257 4.065 4.340 -0.029 0.000 0.202 228 Q C 1.981 178.024 176.000 0.071 0.000 0.978 228 Q CA 2.098 57.951 55.803 0.082 0.000 0.844 228 Q CB -0.370 28.404 28.738 0.059 0.000 0.898 228 Q HN 0.506 nan 8.270 nan 0.000 0.426 229 N N -0.026 118.725 118.700 0.085 0.000 2.166 229 N HA -0.187 4.535 4.740 -0.029 0.000 0.186 229 N C 1.445 177.009 175.510 0.089 0.000 1.019 229 N CA 0.839 53.930 53.050 0.069 0.000 0.856 229 N CB -0.118 38.409 38.487 0.067 0.000 0.993 229 N HN 0.204 nan 8.380 nan 0.000 0.426 230 F N 1.156 121.088 119.950 -0.031 0.000 2.206 230 F HA 0.097 4.607 4.527 -0.028 0.000 0.298 230 F C 2.091 177.870 175.800 -0.035 0.000 1.090 230 F CA 1.137 59.105 58.000 -0.054 0.000 1.323 230 F CB -0.241 38.703 39.000 -0.093 0.000 1.028 230 F HN -0.064 nan 8.300 nan 0.000 0.492 231 K N 0.241 120.598 120.400 -0.072 0.000 2.002 231 K HA -0.258 4.045 4.320 -0.029 0.000 0.209 231 K C 2.158 178.659 176.600 -0.165 0.000 1.048 231 K CA 1.890 58.073 56.287 -0.174 0.000 0.930 231 K CB -0.309 32.182 32.500 -0.015 0.000 0.714 231 K HN 0.291 nan 8.250 nan 0.000 0.438 232 E N 0.949 121.101 120.200 -0.080 0.000 2.049 232 E HA -0.266 4.067 4.350 -0.029 0.000 0.198 232 E C 1.836 178.386 176.600 -0.084 0.000 1.007 232 E CA 2.058 58.419 56.400 -0.064 0.000 0.809 232 E CB -0.045 29.639 29.700 -0.026 0.000 0.749 232 E HN 0.365 nan 8.360 nan 0.000 0.450 233 E N -0.476 119.673 120.200 -0.086 0.000 2.204 233 E HA -0.206 4.127 4.350 -0.029 0.000 0.195 233 E C 0.947 177.472 176.600 -0.125 0.000 0.990 233 E CA 1.516 57.869 56.400 -0.078 0.000 0.821 233 E CB -0.081 29.596 29.700 -0.037 0.000 0.750 233 E HN 0.271 nan 8.360 nan 0.000 0.477 234 N N -0.029 118.534 118.700 -0.228 0.000 2.205 234 N HA 0.261 4.983 4.740 -0.029 0.000 0.201 234 N C -0.729 174.671 175.510 -0.183 0.000 1.128 234 N CA 0.614 53.522 53.050 -0.238 0.000 0.867 234 N CB 1.355 39.588 38.487 -0.423 0.000 0.996 234 N HN 0.279 nan 8.380 nan 0.000 0.503 235 A N 0.529 123.257 122.820 -0.155 0.000 2.360 235 A HA -0.170 4.133 4.320 -0.029 0.000 0.289 235 A C -0.749 176.767 177.584 -0.112 0.000 1.437 235 A CA 0.552 52.525 52.037 -0.106 0.000 0.734 235 A CB -2.186 16.769 19.000 -0.074 0.000 1.145 235 A HN 0.260 nan 8.150 nan 0.000 0.374 236 L N -0.756 120.386 121.223 -0.135 0.000 2.434 236 L HA 0.671 4.994 4.340 -0.029 0.000 0.260 236 L C 0.500 177.320 176.870 -0.082 0.000 0.983 236 L CA -0.529 54.242 54.840 -0.114 0.000 0.820 236 L CB 2.184 44.145 42.059 -0.164 0.000 1.361 236 L HN 0.401 nan 8.230 nan 0.000 0.410 237 D N -1.076 119.292 120.400 -0.054 0.000 2.423 237 D HA 0.063 4.685 4.640 -0.029 0.000 0.212 237 D C -0.153 176.132 176.300 -0.025 0.000 1.060 237 D CA 0.153 54.133 54.000 -0.034 0.000 0.872 237 D CB 0.380 41.163 40.800 -0.027 0.000 1.012 237 D HN 0.053 nan 8.370 nan 0.000 0.503 238 K N 1.380 121.760 120.400 -0.032 0.000 2.293 238 K HA 0.502 4.805 4.320 -0.029 0.000 0.267 238 K C -0.925 175.664 176.600 -0.019 0.000 1.010 238 K CA -0.677 55.592 56.287 -0.031 0.000 0.875 238 K CB 2.332 34.805 32.500 -0.044 0.000 1.106 238 K HN -0.046 nan 8.250 nan 0.000 0.450 239 V N 4.831 124.750 119.914 0.008 0.000 2.555 239 V HA 0.530 4.632 4.120 -0.029 0.000 0.302 239 V C -0.018 176.078 176.094 0.005 0.000 1.038 239 V CA -0.929 61.402 62.300 0.051 0.000 0.887 239 V CB 1.936 33.850 31.823 0.153 0.000 0.991 239 V HN 0.567 nan 8.190 nan 0.000 0.434 240 I N 3.862 124.409 120.570 -0.038 0.000 2.465 240 I HA 0.486 4.639 4.170 -0.029 0.000 0.291 240 I C -0.423 175.691 176.117 -0.005 0.000 1.014 240 I CA -0.775 60.494 61.300 -0.053 0.000 1.093 240 I CB 2.182 40.092 38.000 -0.151 0.000 1.267 240 I HN 0.269 nan 8.210 nan 0.000 0.431 241 V N 6.892 126.853 119.914 0.078 0.000 2.567 241 V HA 0.471 4.574 4.120 -0.029 0.000 0.289 241 V C -0.326 175.724 176.094 -0.074 0.000 1.049 241 V CA -0.552 61.828 62.300 0.133 0.000 0.969 241 V CB 1.823 33.874 31.823 0.379 0.000 0.995 241 V HN 0.490 nan 8.190 nan 0.000 0.471 242 L N 4.581 125.754 121.223 -0.083 0.000 2.528 242 L HA 0.416 4.739 4.340 -0.029 0.000 0.267 242 L C -1.075 175.738 176.870 -0.096 0.000 0.961 242 L CA -0.396 54.338 54.840 -0.177 0.000 0.866 242 L CB 1.244 43.232 42.059 -0.119 0.000 1.248 242 L HN 0.812 nan 8.230 nan 0.000 0.404 243 W N 5.342 126.443 121.300 -0.332 0.000 2.529 243 W HA 0.191 4.832 4.660 -0.032 0.000 0.319 243 W C -0.279 176.148 176.519 -0.152 0.000 1.362 243 W CA 0.228 57.436 57.345 -0.228 0.000 1.348 243 W CB 1.242 30.586 29.460 -0.193 0.000 1.403 243 W HN 0.610 nan 8.180 nan 0.000 0.519 244 T N 4.765 119.091 114.554 -0.381 0.000 3.487 244 T HA 0.462 4.795 4.350 -0.029 0.000 0.287 244 T C 0.047 174.488 174.700 -0.431 0.000 1.004 244 T CA -0.023 61.928 62.100 -0.248 0.000 0.977 244 T CB -0.714 68.075 68.868 -0.133 0.000 1.180 244 T HN 0.437 nan 8.240 nan 0.000 0.490 245 A N 1.167 123.441 122.820 -0.909 0.000 2.420 245 A HA 0.782 5.085 4.320 -0.029 0.000 0.291 245 A C 0.098 177.539 177.584 -0.239 0.000 1.228 245 A CA -0.780 50.773 52.037 -0.806 0.000 0.933 245 A CB 0.410 18.425 19.000 -1.642 0.000 1.428 245 A HN 0.613 nan 8.150 nan 0.000 0.493 246 N N -0.129 118.527 118.700 -0.073 0.000 2.482 246 N HA 0.313 5.035 4.740 -0.029 0.000 0.260 246 N C -0.454 175.246 175.510 0.318 0.000 1.236 246 N CA 0.314 53.435 53.050 0.119 0.000 0.938 246 N CB 0.399 38.942 38.487 0.094 0.000 1.128 246 N HN 0.547 nan 8.380 nan 0.000 0.448 247 T N 1.777 116.481 114.554 0.250 0.000 2.871 247 T HA -0.021 4.312 4.350 -0.029 0.000 0.296 247 T C 0.373 175.209 174.700 0.227 0.000 0.998 247 T CA 0.404 62.645 62.100 0.236 0.000 1.162 247 T CB -0.002 68.962 68.868 0.160 0.000 0.947 247 T HN 0.381 nan 8.240 nan 0.000 0.536 248 E N 1.479 121.802 120.200 0.205 0.000 2.330 248 E HA 0.390 4.723 4.350 -0.029 0.000 0.256 248 E C 0.517 177.237 176.600 0.200 0.000 1.146 248 E CA -0.996 55.538 56.400 0.225 0.000 0.945 248 E CB 0.791 30.606 29.700 0.192 0.000 1.182 248 E HN 0.592 nan 8.360 nan 0.000 0.480 249 R N 0.103 120.738 120.500 0.224 0.000 2.500 249 R HA 0.269 4.591 4.340 -0.029 0.000 0.277 249 R C -0.708 175.753 176.300 0.269 0.000 1.026 249 R CA -0.615 55.604 56.100 0.198 0.000 1.058 249 R CB 0.352 30.709 30.300 0.096 0.000 1.078 249 R HN 0.491 nan 8.270 nan 0.000 0.509 250 Y N 1.129 121.449 120.300 0.032 0.000 2.788 250 Y HA -0.000 4.538 4.550 -0.020 0.000 0.341 250 Y C 1.024 176.962 175.900 0.064 0.000 1.258 250 Y CA -0.256 57.863 58.100 0.033 0.000 1.503 250 Y CB 0.749 39.213 38.460 0.007 0.000 1.325 250 Y HN 0.457 nan 8.280 nan 0.000 0.614 251 V N 0.596 120.602 119.914 0.153 0.000 2.850 251 V HA 0.438 4.540 4.120 -0.029 0.000 0.315 251 V C -0.499 175.670 176.094 0.126 0.000 1.064 251 V CA -1.235 61.166 62.300 0.169 0.000 0.979 251 V CB 1.833 33.778 31.823 0.204 0.000 1.039 251 V HN 0.777 nan 8.190 nan 0.000 0.452 252 E N 1.751 122.021 120.200 0.117 0.000 2.229 252 E HA 0.436 4.769 4.350 -0.029 0.000 0.283 252 E C -1.042 175.607 176.600 0.082 0.000 1.030 252 E CA -0.675 55.785 56.400 0.100 0.000 0.836 252 E CB 1.740 31.491 29.700 0.086 0.000 1.068 252 E HN 0.695 nan 8.360 nan 0.000 0.401 253 V N 4.615 124.568 119.914 0.065 0.000 2.415 253 V HA 0.137 4.240 4.120 -0.029 0.000 0.267 253 V C -0.254 175.864 176.094 0.040 0.000 1.042 253 V CA 0.125 62.452 62.300 0.045 0.000 1.000 253 V CB 0.790 32.638 31.823 0.041 0.000 1.015 253 V HN 0.622 nan 8.190 nan 0.000 0.478 254 S N 6.596 122.311 115.700 0.025 0.000 2.570 254 S HA 0.574 5.027 4.470 -0.029 0.000 0.286 254 S C -2.819 171.777 174.600 -0.006 0.000 1.099 254 S CA -1.305 56.905 58.200 0.017 0.000 0.913 254 S CB 2.222 65.440 63.200 0.029 0.000 1.085 254 S HN 0.502 nan 8.310 nan 0.000 0.480 255 P HA 0.252 nan 4.420 nan 0.000 0.266 255 P C 0.777 178.064 177.300 -0.023 0.000 1.215 255 P CA 0.766 63.863 63.100 -0.006 0.000 0.763 255 P CB -0.056 31.646 31.700 0.004 0.000 0.806 256 G N 1.839 110.620 108.800 -0.030 0.000 2.143 256 G HA2 -0.248 3.695 3.960 -0.029 0.000 0.249 256 G HA3 -0.248 3.695 3.960 -0.029 0.000 0.249 256 G C 0.397 175.245 174.900 -0.087 0.000 0.981 256 G CA 0.218 45.291 45.100 -0.044 0.000 0.665 256 G HN 0.606 nan 8.290 nan 0.000 0.528 257 V N -1.281 118.562 119.914 -0.120 0.000 3.279 257 V HA 0.403 4.505 4.120 -0.029 0.000 0.213 257 V C 1.183 177.192 176.094 -0.141 0.000 1.335 257 V CA 1.663 63.825 62.300 -0.230 0.000 1.317 257 V CB 0.067 31.586 31.823 -0.506 0.000 1.209 257 V HN 0.776 nan 8.190 nan 0.000 0.525 258 N N -0.503 118.147 118.700 -0.082 0.000 2.184 258 N HA 0.091 4.813 4.740 -0.029 0.000 0.234 258 N C 0.549 176.052 175.510 -0.010 0.000 1.282 258 N CA 0.534 53.562 53.050 -0.036 0.000 0.877 258 N CB 0.310 38.785 38.487 -0.020 0.000 1.184 258 N HN 0.554 nan 8.380 nan 0.000 0.510 259 D N 1.005 121.398 120.400 -0.011 0.000 2.144 259 D HA -0.108 4.515 4.640 -0.029 0.000 0.200 259 D C 0.781 177.088 176.300 0.012 0.000 0.978 259 D CA 1.576 55.580 54.000 0.006 0.000 0.833 259 D CB -0.363 40.440 40.800 0.005 0.000 0.961 259 D HN 0.326 nan 8.370 nan 0.000 0.470 260 T N -4.390 110.167 114.554 0.005 0.000 2.906 260 T HA 0.361 4.693 4.350 -0.029 0.000 0.295 260 T C 1.019 175.724 174.700 0.009 0.000 1.075 260 T CA -0.690 61.418 62.100 0.013 0.000 1.005 260 T CB 1.832 70.709 68.868 0.015 0.000 1.136 260 T HN 0.013 nan 8.240 nan 0.000 0.498 261 M N 0.491 120.100 119.600 0.015 0.000 2.103 261 M HA -0.185 4.277 4.480 -0.029 0.000 0.255 261 M C 1.692 177.991 176.300 -0.002 0.000 1.074 261 M CA 2.049 57.351 55.300 0.003 0.000 1.090 261 M CB -0.300 32.299 32.600 -0.002 0.000 1.325 261 M HN 0.686 nan 8.290 nan 0.000 0.403 262 E N 0.504 120.703 120.200 -0.002 0.000 2.158 262 E HA -0.088 4.245 4.350 -0.029 0.000 0.191 262 E C 1.699 178.287 176.600 -0.019 0.000 0.982 262 E CA 0.814 57.206 56.400 -0.013 0.000 0.823 262 E CB -0.376 29.317 29.700 -0.012 0.000 0.766 262 E HN 0.650 nan 8.360 nan 0.000 0.468 263 N N 0.900 119.589 118.700 -0.018 0.000 2.106 263 N HA -0.153 4.569 4.740 -0.029 0.000 0.188 263 N C 2.026 177.517 175.510 -0.031 0.000 1.029 263 N CA 0.614 53.644 53.050 -0.033 0.000 0.848 263 N CB -0.435 38.029 38.487 -0.039 0.000 1.007 263 N HN 0.137 nan 8.380 nan 0.000 0.423 264 L N 1.142 122.357 121.223 -0.012 0.000 2.012 264 L HA -0.119 4.204 4.340 -0.029 0.000 0.210 264 L C 1.920 178.824 176.870 0.056 0.000 1.073 264 L CA 1.390 56.235 54.840 0.008 0.000 0.748 264 L CB -0.630 41.437 42.059 0.013 0.000 0.891 264 L HN 0.018 nan 8.230 nan 0.000 0.431 265 L N -0.631 120.632 121.223 0.067 0.000 1.994 265 L HA -0.207 4.115 4.340 -0.029 0.000 0.208 265 L C 2.694 179.602 176.870 0.063 0.000 1.071 265 L CA 1.719 56.649 54.840 0.150 0.000 0.745 265 L CB -1.647 40.467 42.059 0.091 0.000 0.892 265 L HN 0.432 nan 8.230 nan 0.000 0.431 266 Q N -0.674 119.109 119.800 -0.028 0.000 2.170 266 Q HA -0.129 4.194 4.340 -0.029 0.000 0.203 266 Q C 2.417 178.408 176.000 -0.014 0.000 0.976 266 Q CA 1.671 57.432 55.803 -0.070 0.000 0.858 266 Q CB -0.143 28.554 28.738 -0.069 0.000 0.907 266 Q HN 0.397 nan 8.270 nan 0.000 0.433 267 S N -0.345 115.362 115.700 0.011 0.000 2.355 267 S HA -0.066 4.387 4.470 -0.029 0.000 0.222 267 S C 1.789 176.451 174.600 0.104 0.000 1.031 267 S CA 1.109 59.324 58.200 0.026 0.000 0.993 267 S CB -0.278 62.896 63.200 -0.045 0.000 0.859 267 S HN 0.416 nan 8.310 nan 0.000 0.453 268 I N 1.486 122.144 120.570 0.146 0.000 2.194 268 I HA -0.282 3.871 4.170 -0.029 0.000 0.246 268 I C 2.324 178.588 176.117 0.245 0.000 1.093 268 I CA 1.370 62.798 61.300 0.212 0.000 1.355 268 I CB -0.355 37.836 38.000 0.318 0.000 1.046 268 I HN 0.286 nan 8.210 nan 0.000 0.413 269 K N 0.643 121.165 120.400 0.204 0.000 2.057 269 K HA -0.123 4.180 4.320 -0.029 0.000 0.206 269 K C 1.397 178.015 176.600 0.029 0.000 1.050 269 K CA 1.462 57.783 56.287 0.057 0.000 0.935 269 K CB -0.280 32.097 32.500 -0.206 0.000 0.715 269 K HN 0.316 nan 8.250 nan 0.000 0.439 270 N N 1.061 119.781 118.700 0.033 0.000 2.515 270 N HA -0.059 4.663 4.740 -0.029 0.000 0.191 270 N C -0.772 174.778 175.510 0.067 0.000 1.182 270 N CA 0.304 53.379 53.050 0.041 0.000 0.879 270 N CB 0.283 38.800 38.487 0.049 0.000 0.984 270 N HN 0.061 nan 8.380 nan 0.000 0.453 271 D N -0.905 119.539 120.400 0.073 0.000 3.039 271 D HA -0.258 4.364 4.640 -0.029 0.000 0.222 271 D C -0.265 176.059 176.300 0.040 0.000 1.179 271 D CA 0.742 54.767 54.000 0.042 0.000 0.880 271 D CB -1.687 39.118 40.800 0.008 0.000 1.115 271 D HN 0.515 nan 8.370 nan 0.000 0.416 272 H N 0.677 119.749 119.070 0.004 0.000 3.115 272 H HA -0.049 4.490 4.556 -0.029 0.000 0.324 272 H C 1.412 176.757 175.328 0.029 0.000 1.007 272 H CA 1.172 57.228 56.048 0.014 0.000 1.385 272 H CB 0.719 30.497 29.762 0.026 0.000 1.351 272 H HN 0.146 nan 8.280 nan 0.000 0.592 273 E N 2.967 122.971 120.200 -0.325 0.000 2.219 273 E HA -0.195 4.138 4.350 -0.029 0.000 0.198 273 E C 1.053 177.764 176.600 0.185 0.000 0.998 273 E CA 1.521 57.860 56.400 -0.103 0.000 0.818 273 E CB 0.146 29.715 29.700 -0.218 0.000 0.741 273 E HN 0.708 nan 8.360 nan 0.000 0.477 274 E N -0.055 120.380 120.200 0.391 0.000 2.463 274 E HA 0.008 4.341 4.350 -0.029 0.000 0.191 274 E C -0.342 176.443 176.600 0.310 0.000 1.083 274 E CA -0.095 56.547 56.400 0.403 0.000 0.872 274 E CB 0.348 30.253 29.700 0.342 0.000 0.966 274 E HN 0.167 nan 8.360 nan 0.000 0.491 275 I N 1.598 122.311 120.570 0.238 0.000 2.321 275 I HA 0.343 4.496 4.170 -0.029 0.000 0.291 275 I C 0.347 176.387 176.117 -0.128 0.000 0.998 275 I CA -0.652 60.691 61.300 0.072 0.000 1.227 275 I CB 0.842 38.892 38.000 0.083 0.000 1.368 275 I HN -0.100 nan 8.210 nan 0.000 0.466 276 A N 8.406 131.011 122.820 -0.359 0.000 2.281 276 A HA 0.697 4.999 4.320 -0.029 0.000 0.329 276 A C -1.815 175.537 177.584 -0.387 0.000 1.122 276 A CA -1.509 49.991 52.037 -0.895 0.000 0.850 276 A CB 0.706 19.179 19.000 -0.878 0.000 1.207 276 A HN 0.473 nan 8.150 nan 0.000 0.495 277 P HA -0.171 nan 4.420 nan 0.000 0.216 277 P C 1.870 179.178 177.300 0.014 0.000 1.153 277 P CA 2.125 65.107 63.100 -0.197 0.000 0.858 277 P CB 0.203 31.846 31.700 -0.094 0.000 0.789 278 S N -1.313 114.223 115.700 -0.272 0.000 2.378 278 S HA -0.229 4.224 4.470 -0.029 0.000 0.229 278 S C 1.905 176.322 174.600 -0.306 0.000 1.052 278 S CA 2.330 60.196 58.200 -0.557 0.000 1.084 278 S CB -1.372 61.340 63.200 -0.814 0.000 0.950 278 S HN 0.238 nan 8.310 nan 0.000 0.440 279 T N 2.841 117.231 114.554 -0.273 0.000 2.635 279 T HA -0.099 4.233 4.350 -0.029 0.000 0.267 279 T C 1.792 176.389 174.700 -0.172 0.000 1.040 279 T CA 1.565 63.544 62.100 -0.202 0.000 1.156 279 T CB -0.418 68.366 68.868 -0.140 0.000 0.863 279 T HN 0.289 nan 8.240 nan 0.000 0.430 280 I N 0.308 120.799 120.570 -0.133 0.000 2.179 280 I HA -0.106 4.046 4.170 -0.029 0.000 0.242 280 I C 2.205 178.168 176.117 -0.258 0.000 1.088 280 I CA 1.570 62.754 61.300 -0.194 0.000 1.357 280 I CB -1.185 36.689 38.000 -0.211 0.000 1.051 280 I HN 0.194 nan 8.210 nan 0.000 0.409 281 F N 1.233 121.004 119.950 -0.299 0.000 2.234 281 F HA -0.122 4.388 4.527 -0.028 0.000 0.299 281 F C 2.590 178.107 175.800 -0.471 0.000 1.087 281 F CA 1.260 59.063 58.000 -0.328 0.000 1.340 281 F CB -0.581 38.304 39.000 -0.192 0.000 1.031 281 F HN 0.015 nan 8.300 nan 0.000 0.500 282 A N -0.076 122.438 122.820 -0.511 0.000 1.854 282 A HA -0.004 4.298 4.320 -0.029 0.000 0.214 282 A C 2.406 179.764 177.584 -0.377 0.000 1.192 282 A CA 1.501 53.003 52.037 -0.891 0.000 0.611 282 A CB -1.314 17.307 19.000 -0.631 0.000 0.832 282 A HN 0.266 nan 8.150 nan 0.000 0.442 283 A N -0.184 122.483 122.820 -0.256 0.000 1.933 283 A HA 0.159 4.462 4.320 -0.029 0.000 0.218 283 A C 2.417 179.899 177.584 -0.171 0.000 1.175 283 A CA 2.056 53.990 52.037 -0.172 0.000 0.628 283 A CB -0.872 18.036 19.000 -0.154 0.000 0.814 283 A HN 1.057 nan 8.150 nan 0.000 0.444 284 A N -0.930 121.763 122.820 -0.212 0.000 2.014 284 A HA 0.046 4.348 4.320 -0.029 0.000 0.218 284 A C 2.357 179.899 177.584 -0.069 0.000 1.163 284 A CA 1.733 53.661 52.037 -0.182 0.000 0.652 284 A CB -0.528 18.322 19.000 -0.250 0.000 0.808 284 A HN 0.428 nan 8.150 nan 0.000 0.449 285 S N -0.254 115.421 115.700 -0.040 0.000 2.387 285 S HA -0.008 4.445 4.470 -0.029 0.000 0.226 285 S C 1.782 176.423 174.600 0.069 0.000 1.026 285 S CA 1.086 59.333 58.200 0.079 0.000 0.972 285 S CB -0.362 62.954 63.200 0.194 0.000 0.814 285 S HN 0.550 nan 8.310 nan 0.000 0.477 286 I N 1.614 122.198 120.570 0.023 0.000 2.113 286 I HA -0.168 3.985 4.170 -0.029 0.000 0.238 286 I C 1.938 178.072 176.117 0.028 0.000 1.070 286 I CA 1.106 62.427 61.300 0.036 0.000 1.332 286 I CB -0.402 37.598 38.000 0.001 0.000 1.044 286 I HN 0.207 nan 8.210 nan 0.000 0.402 287 L N 0.368 121.588 121.223 -0.006 0.000 2.357 287 L HA -0.230 4.093 4.340 -0.029 0.000 0.220 287 L C 1.679 178.562 176.870 0.021 0.000 1.123 287 L CA 1.087 55.926 54.840 -0.002 0.000 0.782 287 L CB -0.418 41.620 42.059 -0.035 0.000 0.910 287 L HN 0.356 nan 8.230 nan 0.000 0.442 288 E N -0.621 119.600 120.200 0.034 0.000 2.538 288 E HA 0.131 4.463 4.350 -0.029 0.000 0.207 288 E C 1.354 177.992 176.600 0.063 0.000 1.002 288 E CA 0.640 57.070 56.400 0.051 0.000 0.952 288 E CB 0.754 30.492 29.700 0.064 0.000 1.031 288 E HN 0.377 nan 8.360 nan 0.000 0.476 289 G N 1.432 110.274 108.800 0.069 0.000 2.187 289 G HA2 -0.290 3.652 3.960 -0.029 0.000 0.261 289 G HA3 -0.290 3.652 3.960 -0.029 0.000 0.261 289 G C 0.378 175.326 174.900 0.081 0.000 1.000 289 G CA 0.591 45.739 45.100 0.080 0.000 0.718 289 G HN 0.202 nan 8.290 nan 0.000 0.519 290 V N 2.106 122.077 119.914 0.095 0.000 2.383 290 V HA 0.413 4.515 4.120 -0.029 0.000 0.275 290 V C -1.525 174.643 176.094 0.123 0.000 1.036 290 V CA -1.663 60.694 62.300 0.095 0.000 0.889 290 V CB 1.642 33.543 31.823 0.131 0.000 0.985 290 V HN 0.123 nan 8.190 nan 0.000 0.459 291 P HA 0.031 nan 4.420 nan 0.000 0.265 291 P C -1.237 176.180 177.300 0.195 0.000 1.193 291 P CA 0.234 63.389 63.100 0.092 0.000 0.765 291 P CB 0.120 31.721 31.700 -0.165 0.000 0.823 292 Y N 3.739 124.124 120.300 0.142 0.000 2.334 292 Y HA 0.496 5.028 4.550 -0.030 0.000 0.336 292 Y C -0.375 175.686 175.900 0.269 0.000 0.960 292 Y CA -0.705 57.510 58.100 0.192 0.000 1.164 292 Y CB 0.670 39.265 38.460 0.225 0.000 1.155 292 Y HN 0.203 nan 8.280 nan 0.000 0.478 293 I N 6.081 126.457 120.570 -0.324 0.000 2.307 293 I HA 0.160 4.313 4.170 -0.029 0.000 0.289 293 I C -0.391 175.559 176.117 -0.279 0.000 1.021 293 I CA -0.635 60.587 61.300 -0.131 0.000 1.224 293 I CB 0.816 38.770 38.000 -0.077 0.000 1.376 293 I HN 0.592 nan 8.210 nan 0.000 0.470 294 N N 5.429 124.099 118.700 -0.050 0.000 2.555 294 N HA 0.153 4.875 4.740 -0.029 0.000 0.244 294 N C 0.997 176.491 175.510 -0.026 0.000 1.114 294 N CA -0.221 52.746 53.050 -0.138 0.000 0.963 294 N CB 1.097 39.343 38.487 -0.402 0.000 1.276 294 N HN 0.715 nan 8.380 nan 0.000 0.510 295 G N 1.196 110.034 108.800 0.063 0.000 2.956 295 G HA2 0.007 3.950 3.960 -0.029 0.000 0.207 295 G HA3 0.007 3.950 3.960 -0.029 0.000 0.207 295 G C -0.025 174.962 174.900 0.144 0.000 1.162 295 G CA -0.014 45.153 45.100 0.110 0.000 0.796 295 G HN 0.484 nan 8.290 nan 0.000 0.527 296 S N -0.490 115.283 115.700 0.123 0.000 2.634 296 S HA 0.486 4.939 4.470 -0.029 0.000 0.296 296 S C -1.847 172.757 174.600 0.006 0.000 1.104 296 S CA -0.996 57.270 58.200 0.110 0.000 0.920 296 S CB 2.731 66.039 63.200 0.180 0.000 1.111 296 S HN -0.147 nan 8.310 nan 0.000 0.493 297 P HA -0.101 nan 4.420 nan 0.000 0.220 297 P C 0.454 177.802 177.300 0.081 0.000 1.148 297 P CA 0.857 63.997 63.100 0.066 0.000 0.803 297 P CB -0.155 31.601 31.700 0.093 0.000 0.782 298 Q N 2.009 121.805 119.800 -0.006 0.000 2.479 298 Q HA -0.097 4.225 4.340 -0.029 0.000 0.267 298 Q C 0.015 175.714 176.000 -0.502 0.000 1.071 298 Q CA 0.484 56.197 55.803 -0.150 0.000 0.935 298 Q CB -0.614 28.025 28.738 -0.164 0.000 1.295 298 Q HN 0.329 nan 8.270 nan 0.000 0.476 299 N N 0.444 118.585 118.700 -0.931 0.000 3.245 299 N HA 0.075 4.797 4.740 -0.029 0.000 0.296 299 N C -0.134 175.109 175.510 -0.446 0.000 1.254 299 N CA -0.289 52.328 53.050 -0.722 0.000 1.190 299 N CB 0.498 38.461 38.487 -0.874 0.000 1.460 299 N HN 0.454 nan 8.380 nan 0.000 0.538 300 T N 0.268 114.522 114.554 -0.500 0.000 2.777 300 T HA -0.070 4.263 4.350 -0.029 0.000 0.266 300 T C 0.455 175.018 174.700 -0.228 0.000 1.040 300 T CA 0.868 62.683 62.100 -0.475 0.000 1.141 300 T CB -0.288 68.142 68.868 -0.731 0.000 0.868 300 T HN 0.474 nan 8.240 nan 0.000 0.444 301 F N 3.826 123.705 119.950 -0.118 0.000 2.651 301 F HA 0.204 4.715 4.527 -0.027 0.000 0.369 301 F C 1.032 176.788 175.800 -0.073 0.000 1.187 301 F CA -1.244 56.710 58.000 -0.076 0.000 1.335 301 F CB -0.860 38.118 39.000 -0.037 0.000 1.707 301 F HN -0.025 nan 8.300 nan 0.000 0.637 302 V N -0.226 119.738 119.914 0.083 0.000 3.484 302 V HA -0.036 4.067 4.120 -0.029 0.000 0.304 302 V C -1.021 175.111 176.094 0.064 0.000 1.116 302 V CA -1.260 61.064 62.300 0.040 0.000 1.187 302 V CB 0.029 31.857 31.823 0.009 0.000 1.062 302 V HN 0.135 nan 8.190 nan 0.000 0.489 303 P HA -0.117 nan 4.420 nan 0.000 0.213 303 P C 1.741 179.062 177.300 0.035 0.000 1.170 303 P CA 2.308 65.436 63.100 0.046 0.000 0.898 303 P CB -0.429 31.297 31.700 0.043 0.000 0.787 304 G N 0.127 108.944 108.800 0.027 0.000 2.550 304 G HA2 -0.273 3.670 3.960 -0.029 0.000 0.222 304 G HA3 -0.273 3.670 3.960 -0.029 0.000 0.222 304 G C 1.521 176.431 174.900 0.017 0.000 1.113 304 G CA 0.900 46.011 45.100 0.019 0.000 0.748 304 G HN 0.269 nan 8.290 nan 0.000 0.585 305 L N 0.216 121.453 121.223 0.023 0.000 2.307 305 L HA 0.254 4.577 4.340 -0.029 0.000 0.211 305 L C 2.808 179.671 176.870 -0.012 0.000 1.099 305 L CA 0.675 55.526 54.840 0.018 0.000 0.816 305 L CB 0.090 42.186 42.059 0.062 0.000 0.952 305 L HN 0.081 nan 8.230 nan 0.000 0.455 306 V N -0.560 119.345 119.914 -0.016 0.000 2.626 306 V HA -0.263 3.840 4.120 -0.029 0.000 0.252 306 V C 2.347 178.414 176.094 -0.045 0.000 1.067 306 V CA 1.412 63.664 62.300 -0.079 0.000 1.081 306 V CB -0.588 31.200 31.823 -0.058 0.000 0.686 306 V HN 0.520 nan 8.190 nan 0.000 0.468 307 Q N -0.481 119.322 119.800 0.005 0.000 1.967 307 Q HA -0.166 4.157 4.340 -0.029 0.000 0.202 307 Q C 2.415 178.444 176.000 0.048 0.000 0.985 307 Q CA 1.487 57.315 55.803 0.041 0.000 0.839 307 Q CB -0.457 28.313 28.738 0.053 0.000 0.906 307 Q HN 0.397 nan 8.270 nan 0.000 0.423 308 L N 1.029 122.261 121.223 0.015 0.000 2.034 308 L HA -0.288 4.035 4.340 -0.029 0.000 0.217 308 L C 2.273 179.154 176.870 0.018 0.000 1.077 308 L CA 2.404 57.237 54.840 -0.011 0.000 0.769 308 L CB -1.273 40.766 42.059 -0.033 0.000 0.890 308 L HN 0.295 nan 8.230 nan 0.000 0.435 309 A N -0.759 122.053 122.820 -0.013 0.000 1.940 309 A HA -0.239 4.063 4.320 -0.029 0.000 0.219 309 A C 2.043 179.636 177.584 0.015 0.000 1.176 309 A CA 1.746 53.773 52.037 -0.016 0.000 0.631 309 A CB -0.413 18.528 19.000 -0.099 0.000 0.814 309 A HN 0.638 nan 8.150 nan 0.000 0.446 310 E N -1.369 118.840 120.200 0.014 0.000 2.001 310 E HA -0.221 4.112 4.350 -0.029 0.000 0.195 310 E C 1.946 178.617 176.600 0.117 0.000 1.002 310 E CA 1.294 57.718 56.400 0.041 0.000 0.819 310 E CB -0.422 29.314 29.700 0.059 0.000 0.769 310 E HN 0.854 nan 8.360 nan 0.000 0.454 311 H N 0.743 119.825 119.070 0.019 0.000 2.325 311 H HA -0.164 4.375 4.556 -0.029 0.000 0.293 311 H C 1.637 176.985 175.328 0.032 0.000 1.106 311 H CA 1.843 57.908 56.048 0.028 0.000 1.247 311 H CB 0.283 30.061 29.762 0.027 0.000 1.359 311 H HN 0.086 nan 8.280 nan 0.000 0.488 312 E N -0.421 119.926 120.200 0.245 0.000 2.489 312 E HA 0.048 4.380 4.350 -0.029 0.000 0.193 312 E C 1.051 177.729 176.600 0.130 0.000 1.057 312 E CA 0.616 57.122 56.400 0.177 0.000 0.866 312 E CB 0.415 30.181 29.700 0.110 0.000 0.916 312 E HN 0.720 nan 8.360 nan 0.000 0.500 313 G N 2.889 111.758 108.800 0.114 0.000 2.272 313 G HA2 -0.271 3.672 3.960 -0.029 0.000 0.280 313 G HA3 -0.271 3.672 3.960 -0.029 0.000 0.280 313 G C 0.317 175.302 174.900 0.142 0.000 1.067 313 G CA 0.901 46.064 45.100 0.104 0.000 0.902 313 G HN 0.322 nan 8.290 nan 0.000 0.500 314 T N -2.151 112.486 114.554 0.139 0.000 2.863 314 T HA 0.713 5.045 4.350 -0.029 0.000 0.285 314 T C 0.337 175.206 174.700 0.283 0.000 1.009 314 T CA -1.025 61.220 62.100 0.241 0.000 0.989 314 T CB 1.690 70.664 68.868 0.176 0.000 1.004 314 T HN 0.324 nan 8.240 nan 0.000 0.455 315 F N 2.098 122.073 119.950 0.041 0.000 2.539 315 F HA 0.425 4.934 4.527 -0.030 0.000 0.340 315 F C 0.617 176.414 175.800 -0.005 0.000 1.185 315 F CA -0.716 57.298 58.000 0.024 0.000 1.333 315 F CB 0.486 39.532 39.000 0.076 0.000 1.152 315 F HN 0.613 nan 8.300 nan 0.000 0.602 316 I N 0.031 120.677 120.570 0.126 0.000 2.841 316 I HA 0.851 5.004 4.170 -0.029 0.000 0.298 316 I C -1.194 174.881 176.117 -0.071 0.000 1.304 316 I CA -1.860 59.400 61.300 -0.066 0.000 1.019 316 I CB 1.309 38.955 38.000 -0.591 0.000 1.282 316 I HN 0.622 nan 8.210 nan 0.000 0.432 317 A N 2.035 124.921 122.820 0.110 0.000 2.589 317 A HA 1.057 5.360 4.320 -0.029 0.000 0.296 317 A C -0.332 177.525 177.584 0.454 0.000 1.062 317 A CA 0.100 52.266 52.037 0.215 0.000 0.686 317 A CB 1.182 20.320 19.000 0.229 0.000 1.282 317 A HN 2.561 nan 8.150 nan 0.000 0.404 318 G N 0.067 109.099 108.800 0.386 0.000 2.350 318 G HA2 0.562 4.504 3.960 -0.029 0.000 0.276 318 G HA3 0.562 4.504 3.960 -0.029 0.000 0.276 318 G C -1.799 173.224 174.900 0.204 0.000 1.313 318 G CA 0.446 45.736 45.100 0.317 0.000 0.903 318 G HN 1.756 nan 8.290 nan 0.000 0.490 319 D N 0.325 120.778 120.400 0.089 0.000 4.150 319 D HA 0.260 4.882 4.640 -0.029 0.000 0.231 319 D C -0.402 175.930 176.300 0.052 0.000 1.129 319 D CA 1.788 55.804 54.000 0.026 0.000 1.005 319 D CB -0.825 39.995 40.800 0.033 0.000 0.691 319 D HN 1.107 nan 8.370 nan 0.000 0.320 320 D N 0.195 120.623 120.400 0.047 0.000 8.956 320 D HA -0.173 4.450 4.640 -0.029 0.000 0.275 320 D C -0.457 175.891 176.300 0.079 0.000 2.495 320 D CA -0.038 54.000 54.000 0.064 0.000 2.321 320 D CB 0.092 40.923 40.800 0.051 0.000 0.956 320 D HN 0.447 nan 8.370 nan 0.000 0.669 321 L N 3.593 124.869 121.223 0.088 0.000 2.462 321 L HA 0.217 4.540 4.340 -0.029 0.000 0.272 321 L C 0.604 177.521 176.870 0.079 0.000 1.166 321 L CA 0.196 55.096 54.840 0.100 0.000 0.880 321 L CB 0.385 42.500 42.059 0.093 0.000 1.142 321 L HN 0.296 nan 8.230 nan 0.000 0.473 322 K N 4.304 124.754 120.400 0.084 0.000 2.161 322 K HA 0.013 4.316 4.320 -0.029 0.000 0.260 322 K C -0.102 176.512 176.600 0.023 0.000 1.158 322 K CA 0.217 56.519 56.287 0.025 0.000 1.172 322 K CB -0.350 32.131 32.500 -0.031 0.000 0.917 322 K HN 0.875 nan 8.250 nan 0.000 0.410 323 S N 1.273 116.985 115.700 0.019 0.000 2.544 323 S HA -0.007 4.445 4.470 -0.029 0.000 0.290 323 S C 1.438 176.035 174.600 -0.004 0.000 1.276 323 S CA -0.309 57.903 58.200 0.020 0.000 1.075 323 S CB 1.230 64.442 63.200 0.020 0.000 0.849 323 S HN 0.722 nan 8.310 nan 0.000 0.494 324 G N 1.112 109.912 108.800 -0.000 0.000 2.920 324 G HA2 -0.059 3.883 3.960 -0.029 0.000 0.208 324 G HA3 -0.059 3.883 3.960 -0.029 0.000 0.208 324 G C 1.145 176.032 174.900 -0.023 0.000 1.159 324 G CA -0.103 44.983 45.100 -0.024 0.000 0.784 324 G HN 0.758 nan 8.290 nan 0.000 0.535 325 Q N 0.252 120.045 119.800 -0.012 0.000 2.123 325 Q HA -0.075 4.248 4.340 -0.029 0.000 0.196 325 Q C 1.921 177.918 176.000 -0.005 0.000 0.958 325 Q CA 1.568 57.367 55.803 -0.007 0.000 0.841 325 Q CB -0.540 28.194 28.738 -0.007 0.000 0.915 325 Q HN 0.262 nan 8.270 nan 0.000 0.455 326 T N 1.372 115.917 114.554 -0.015 0.000 3.007 326 T HA -0.053 4.280 4.350 -0.029 0.000 0.270 326 T C 1.501 176.175 174.700 -0.043 0.000 1.107 326 T CA 1.136 63.222 62.100 -0.022 0.000 1.118 326 T CB 0.044 68.895 68.868 -0.028 0.000 0.889 326 T HN 0.295 nan 8.240 nan 0.000 0.506 327 K N 0.833 121.193 120.400 -0.067 0.000 1.967 327 K HA 0.119 4.421 4.320 -0.029 0.000 0.212 327 K C 2.136 178.697 176.600 -0.064 0.000 1.044 327 K CA 0.890 57.111 56.287 -0.111 0.000 0.942 327 K CB -0.452 31.958 32.500 -0.150 0.000 0.726 327 K HN 0.167 nan 8.250 nan 0.000 0.440 328 L N 1.427 122.628 121.223 -0.038 0.000 2.197 328 L HA -0.280 4.043 4.340 -0.029 0.000 0.215 328 L C 2.433 179.312 176.870 0.016 0.000 1.095 328 L CA 1.352 56.183 54.840 -0.015 0.000 0.764 328 L CB -0.146 41.912 42.059 -0.002 0.000 0.897 328 L HN 0.266 nan 8.230 nan 0.000 0.436 329 K N -0.966 119.459 120.400 0.042 0.000 1.980 329 K HA -0.129 4.173 4.320 -0.029 0.000 0.208 329 K C 2.218 178.864 176.600 0.075 0.000 1.043 329 K CA 1.480 57.834 56.287 0.112 0.000 0.938 329 K CB -0.021 32.540 32.500 0.101 0.000 0.724 329 K HN 0.133 nan 8.250 nan 0.000 0.438 330 S N 0.616 116.330 115.700 0.022 0.000 2.370 330 S HA -0.128 4.325 4.470 -0.029 0.000 0.226 330 S C 1.967 176.569 174.600 0.003 0.000 1.033 330 S CA 1.180 59.381 58.200 0.002 0.000 1.011 330 S CB -0.145 63.035 63.200 -0.034 0.000 0.852 330 S HN 0.098 nan 8.310 nan 0.000 0.457 331 V N 2.285 122.193 119.914 -0.010 0.000 2.223 331 V HA -0.158 3.945 4.120 -0.029 0.000 0.244 331 V C 2.334 178.432 176.094 0.007 0.000 1.045 331 V CA 1.433 63.732 62.300 -0.002 0.000 1.000 331 V CB -0.645 31.166 31.823 -0.020 0.000 0.635 331 V HN 0.412 nan 8.190 nan 0.000 0.445 332 L N -0.050 121.147 121.223 -0.043 0.000 2.011 332 L HA -0.344 3.979 4.340 -0.029 0.000 0.225 332 L C 2.723 179.547 176.870 -0.076 0.000 1.084 332 L CA 2.893 57.664 54.840 -0.116 0.000 0.791 332 L CB -1.506 40.416 42.059 -0.229 0.000 0.898 332 L HN 0.461 nan 8.230 nan 0.000 0.440 333 A N -1.019 121.753 122.820 -0.080 0.000 1.892 333 A HA -0.313 3.989 4.320 -0.029 0.000 0.218 333 A C 2.161 179.770 177.584 0.041 0.000 1.188 333 A CA 2.132 54.157 52.037 -0.020 0.000 0.631 333 A CB -0.616 18.422 19.000 0.063 0.000 0.822 333 A HN 0.507 nan 8.150 nan 0.000 0.447 334 Q N -1.176 118.656 119.800 0.054 0.000 2.124 334 Q HA -0.143 4.180 4.340 -0.029 0.000 0.202 334 Q C 1.697 177.756 176.000 0.099 0.000 0.977 334 Q CA 1.953 57.793 55.803 0.062 0.000 0.850 334 Q CB -0.614 28.156 28.738 0.053 0.000 0.901 334 Q HN 0.681 nan 8.270 nan 0.000 0.429 335 F N -0.387 119.537 119.950 -0.043 0.000 2.250 335 F HA -0.154 4.355 4.527 -0.030 0.000 0.301 335 F C 1.238 177.017 175.800 -0.036 0.000 1.077 335 F CA 1.147 59.123 58.000 -0.039 0.000 1.348 335 F CB 0.021 38.991 39.000 -0.049 0.000 1.040 335 F HN 0.109 nan 8.300 nan 0.000 0.509 336 L N -0.964 120.265 121.223 0.010 0.000 2.084 336 L HA -0.115 4.208 4.340 -0.029 0.000 0.202 336 L C 2.436 179.245 176.870 -0.102 0.000 1.074 336 L CA 0.745 55.540 54.840 -0.075 0.000 0.757 336 L CB -0.809 41.276 42.059 0.044 0.000 0.918 336 L HN -0.064 nan 8.230 nan 0.000 0.444 337 V N 0.078 119.983 119.914 -0.014 0.000 2.490 337 V HA -0.282 3.821 4.120 -0.029 0.000 0.250 337 V C 1.839 177.909 176.094 -0.040 0.000 1.061 337 V CA 1.751 64.062 62.300 0.018 0.000 1.064 337 V CB -0.489 31.384 31.823 0.083 0.000 0.670 337 V HN 0.429 nan 8.190 nan 0.000 0.461 338 D N 0.102 120.449 120.400 -0.088 0.000 2.277 338 D HA 0.037 4.659 4.640 -0.029 0.000 0.208 338 D C 1.895 178.084 176.300 -0.184 0.000 0.962 338 D CA 1.208 55.142 54.000 -0.111 0.000 0.865 338 D CB 0.001 40.740 40.800 -0.101 0.000 0.939 338 D HN 0.469 nan 8.370 nan 0.000 0.510 339 A N -0.401 122.242 122.820 -0.296 0.000 2.275 339 A HA 0.472 4.775 4.320 -0.029 0.000 0.212 339 A C 1.634 179.104 177.584 -0.190 0.000 1.201 339 A CA 0.754 52.600 52.037 -0.319 0.000 0.843 339 A CB -0.094 18.562 19.000 -0.573 0.000 0.873 339 A HN 0.183 nan 8.150 nan 0.000 0.492 340 G N -0.697 108.019 108.800 -0.141 0.000 2.136 340 G HA2 -0.207 3.735 3.960 -0.029 0.000 0.242 340 G HA3 -0.207 3.735 3.960 -0.029 0.000 0.242 340 G C 0.009 174.845 174.900 -0.107 0.000 0.989 340 G CA 0.267 45.303 45.100 -0.105 0.000 0.682 340 G HN 0.454 nan 8.290 nan 0.000 0.522 341 I N 0.353 120.858 120.570 -0.108 0.000 2.353 341 I HA 0.335 4.488 4.170 -0.029 0.000 0.293 341 I C 0.665 176.753 176.117 -0.048 0.000 0.992 341 I CA -0.621 60.628 61.300 -0.084 0.000 1.268 341 I CB 1.675 39.630 38.000 -0.076 0.000 1.387 341 I HN 0.042 nan 8.210 nan 0.000 0.478 342 K N 8.574 128.931 120.400 -0.071 0.000 2.296 342 K HA 0.367 4.669 4.320 -0.029 0.000 0.257 342 K C -2.456 174.197 176.600 0.089 0.000 1.088 342 K CA -1.687 54.568 56.287 -0.055 0.000 0.980 342 K CB 0.633 32.994 32.500 -0.232 0.000 1.430 342 K HN 0.176 nan 8.250 nan 0.000 0.441 343 P HA -0.098 nan 4.420 nan 0.000 0.266 343 P C 0.451 177.924 177.300 0.288 0.000 1.195 343 P CA -0.048 63.202 63.100 0.250 0.000 0.768 343 P CB 1.054 32.931 31.700 0.294 0.000 0.838 344 V N -0.083 119.971 119.914 0.233 0.000 3.612 344 V HA 0.261 4.364 4.120 -0.029 0.000 0.268 344 V C 0.430 176.662 176.094 0.229 0.000 1.365 344 V CA 0.550 62.993 62.300 0.239 0.000 1.044 344 V CB -0.062 31.869 31.823 0.180 0.000 0.820 344 V HN 0.637 nan 8.190 nan 0.000 0.444 345 S N -0.006 115.840 115.700 0.243 0.000 2.535 345 S HA 0.800 5.252 4.470 -0.029 0.000 0.272 345 S C -1.360 173.347 174.600 0.177 0.000 1.149 345 S CA -0.590 57.729 58.200 0.199 0.000 0.888 345 S CB 2.163 65.473 63.200 0.183 0.000 1.110 345 S HN 0.303 nan 8.310 nan 0.000 0.463 346 I N 2.100 122.719 120.570 0.083 0.000 2.560 346 I HA 0.549 4.701 4.170 -0.029 0.000 0.283 346 I C -0.212 175.837 176.117 -0.114 0.000 1.115 346 I CA -0.747 60.490 61.300 -0.105 0.000 1.066 346 I CB 1.642 39.604 38.000 -0.063 0.000 1.221 346 I HN 0.920 nan 8.210 nan 0.000 0.450 347 A N 3.942 126.678 122.820 -0.140 0.000 2.274 347 A HA 0.722 5.025 4.320 -0.029 0.000 0.309 347 A C -0.199 177.235 177.584 -0.250 0.000 1.226 347 A CA -0.376 51.575 52.037 -0.144 0.000 0.853 347 A CB 1.245 20.359 19.000 0.190 0.000 1.146 347 A HN 0.556 nan 8.150 nan 0.000 0.518 348 S N 2.139 117.566 115.700 -0.455 0.000 2.530 348 S HA 0.706 5.159 4.470 -0.029 0.000 0.322 348 S C -1.364 172.928 174.600 -0.513 0.000 1.085 348 S CA -0.310 57.697 58.200 -0.321 0.000 1.096 348 S CB -0.001 63.096 63.200 -0.170 0.000 0.988 348 S HN 0.482 nan 8.310 nan 0.000 0.466 349 Y N 3.818 124.133 120.300 0.025 0.000 2.499 349 Y HA 0.605 5.131 4.550 -0.039 0.000 0.347 349 Y C 0.524 176.449 175.900 0.041 0.000 0.987 349 Y CA -0.852 57.280 58.100 0.053 0.000 1.044 349 Y CB 1.927 40.425 38.460 0.064 0.000 1.245 349 Y HN 0.830 nan 8.280 nan 0.000 0.461 350 N N 0.106 118.949 118.700 0.238 0.000 3.127 350 N HA 0.447 5.170 4.740 -0.029 0.000 0.239 350 N C -2.082 173.532 175.510 0.173 0.000 1.407 350 N CA -1.003 52.116 53.050 0.115 0.000 0.891 350 N CB 2.492 40.988 38.487 0.015 0.000 1.447 350 N HN 0.778 nan 8.380 nan 0.000 0.507 351 H N -0.857 118.258 119.070 0.075 0.000 3.012 351 H HA 0.812 5.349 4.556 -0.032 0.000 0.367 351 H C -1.082 174.272 175.328 0.043 0.000 1.211 351 H CA -0.947 55.137 56.048 0.061 0.000 1.139 351 H CB 1.833 31.617 29.762 0.038 0.000 1.838 351 H HN 0.841 nan 8.280 nan 0.000 0.550 352 L N -1.154 120.167 121.223 0.162 0.000 2.582 352 L HA 0.795 5.118 4.340 -0.029 0.000 0.257 352 L C -0.609 176.307 176.870 0.077 0.000 0.974 352 L CA -0.886 54.013 54.840 0.098 0.000 0.851 352 L CB 2.263 44.380 42.059 0.097 0.000 1.424 352 L HN 0.950 nan 8.230 nan 0.000 0.412 353 G N 0.488 109.293 108.800 0.008 0.000 3.690 353 G HA2 0.179 4.122 3.960 -0.029 0.000 0.283 353 G HA3 0.179 4.122 3.960 -0.029 0.000 0.283 353 G C -0.012 174.941 174.900 0.088 0.000 1.057 353 G CA -0.067 44.952 45.100 -0.135 0.000 0.821 353 G HN 0.781 nan 8.290 nan 0.000 0.526 354 N N -0.672 118.156 118.700 0.213 0.000 2.418 354 N HA 0.059 4.782 4.740 -0.029 0.000 0.283 354 N C 1.118 176.800 175.510 0.288 0.000 1.267 354 N CA -0.822 52.353 53.050 0.208 0.000 0.975 354 N CB 0.373 38.928 38.487 0.114 0.000 1.167 354 N HN -0.075 nan 8.380 nan 0.000 0.581 355 N N -0.572 118.229 118.700 0.168 0.000 2.223 355 N HA -0.178 4.544 4.740 -0.029 0.000 0.185 355 N C -0.144 175.468 175.510 0.170 0.000 1.016 355 N CA 1.169 54.322 53.050 0.171 0.000 0.863 355 N CB -0.103 38.441 38.487 0.096 0.000 0.983 355 N HN 0.508 nan 8.380 nan 0.000 0.429 356 D N 0.508 120.991 120.400 0.138 0.000 2.182 356 D HA -0.167 4.456 4.640 -0.029 0.000 0.193 356 D C 1.961 178.354 176.300 0.156 0.000 0.999 356 D CA 1.683 55.756 54.000 0.121 0.000 0.850 356 D CB -1.308 39.556 40.800 0.107 0.000 0.994 356 D HN 0.357 nan 8.370 nan 0.000 0.450 357 G N -0.711 108.228 108.800 0.231 0.000 2.475 357 G HA2 -0.346 3.597 3.960 -0.029 0.000 0.220 357 G HA3 -0.346 3.597 3.960 -0.029 0.000 0.220 357 G C 1.590 176.607 174.900 0.196 0.000 1.125 357 G CA 1.084 46.372 45.100 0.313 0.000 0.755 357 G HN 0.413 nan 8.290 nan 0.000 0.565 358 Y N 1.192 121.367 120.300 -0.208 0.000 2.184 358 Y HA -0.107 4.427 4.550 -0.026 0.000 0.290 358 Y C 2.757 178.461 175.900 -0.327 0.000 1.129 358 Y CA 1.581 59.216 58.100 -0.775 0.000 1.144 358 Y CB -0.087 37.911 38.460 -0.770 0.000 0.995 358 Y HN 0.288 nan 8.280 nan 0.000 0.513 359 N N 0.557 119.189 118.700 -0.113 0.000 2.309 359 N HA -0.168 4.555 4.740 -0.029 0.000 0.182 359 N C 1.621 177.084 175.510 -0.079 0.000 1.018 359 N CA 1.254 54.215 53.050 -0.148 0.000 0.876 359 N CB -0.160 38.319 38.487 -0.013 0.000 0.972 359 N HN 0.473 nan 8.380 nan 0.000 0.434 360 L N 0.984 122.210 121.223 0.005 0.000 2.156 360 L HA -0.096 4.227 4.340 -0.029 0.000 0.208 360 L C 2.703 179.591 176.870 0.031 0.000 1.095 360 L CA 1.057 55.946 54.840 0.083 0.000 0.770 360 L CB -0.684 41.480 42.059 0.175 0.000 0.914 360 L HN 0.203 nan 8.230 nan 0.000 0.439 361 S N 0.925 116.590 115.700 -0.059 0.000 2.434 361 S HA -0.237 4.215 4.470 -0.029 0.000 0.243 361 S C 1.201 175.738 174.600 -0.105 0.000 1.045 361 S CA 0.856 58.998 58.200 -0.097 0.000 1.019 361 S CB -0.646 62.459 63.200 -0.158 0.000 0.811 361 S HN 0.327 nan 8.310 nan 0.000 0.485 362 A N 2.968 125.724 122.820 -0.107 0.000 2.350 362 A HA 0.528 4.830 4.320 -0.029 0.000 0.293 362 A C -0.384 177.219 177.584 0.032 0.000 1.231 362 A CA -1.471 50.529 52.037 -0.062 0.000 0.883 362 A CB 0.356 19.309 19.000 -0.080 0.000 1.133 362 A HN 0.399 nan 8.150 nan 0.000 0.533 363 P HA -0.293 nan 4.420 nan 0.000 0.220 363 P C 0.847 178.251 177.300 0.173 0.000 1.155 363 P CA 1.785 64.972 63.100 0.146 0.000 0.880 363 P CB 0.147 31.892 31.700 0.076 0.000 0.790 364 K N -0.561 119.888 120.400 0.081 0.000 2.097 364 K HA -0.167 4.136 4.320 -0.029 0.000 0.206 364 K C 2.408 179.048 176.600 0.065 0.000 1.049 364 K CA 1.478 57.795 56.287 0.050 0.000 0.933 364 K CB -0.501 32.011 32.500 0.020 0.000 0.717 364 K HN 0.164 nan 8.250 nan 0.000 0.442 365 Q N -0.335 119.521 119.800 0.093 0.000 2.096 365 Q HA 0.009 4.331 4.340 -0.029 0.000 0.197 365 Q C 1.826 177.900 176.000 0.124 0.000 0.964 365 Q CA 0.950 56.817 55.803 0.106 0.000 0.838 365 Q CB -0.338 28.460 28.738 0.099 0.000 0.906 365 Q HN 0.322 nan 8.270 nan 0.000 0.444 366 F N 1.238 121.190 119.950 0.002 0.000 2.161 366 F HA -0.176 4.356 4.527 0.008 0.000 0.300 366 F C 1.977 177.767 175.800 -0.017 0.000 1.089 366 F CA 1.302 59.303 58.000 0.002 0.000 1.282 366 F CB 0.029 39.028 39.000 -0.001 0.000 1.010 366 F HN -0.104 nan 8.300 nan 0.000 0.485 367 R N -0.021 120.392 120.500 -0.144 0.000 2.200 367 R HA -0.122 4.201 4.340 -0.029 0.000 0.234 367 R C 2.291 178.376 176.300 -0.358 0.000 1.127 367 R CA 1.401 57.315 56.100 -0.310 0.000 0.989 367 R CB -0.357 29.844 30.300 -0.165 0.000 0.869 367 R HN 0.294 nan 8.270 nan 0.000 0.459 368 S N 0.099 115.668 115.700 -0.218 0.000 2.387 368 S HA -0.025 4.428 4.470 -0.029 0.000 0.226 368 S C 1.478 176.011 174.600 -0.112 0.000 1.026 368 S CA 0.741 58.875 58.200 -0.109 0.000 0.972 368 S CB 0.066 63.334 63.200 0.113 0.000 0.814 368 S HN 0.195 nan 8.310 nan 0.000 0.477 369 K N 1.443 121.735 120.400 -0.180 0.000 2.155 369 K HA 0.066 4.369 4.320 -0.029 0.000 0.203 369 K C 1.942 178.401 176.600 -0.234 0.000 1.052 369 K CA 0.595 56.788 56.287 -0.157 0.000 0.948 369 K CB -0.359 32.065 32.500 -0.127 0.000 0.728 369 K HN 0.341 nan 8.250 nan 0.000 0.448 370 E N 0.828 120.772 120.200 -0.426 0.000 2.026 370 E HA -0.209 4.124 4.350 -0.029 0.000 0.206 370 E C 1.860 178.323 176.600 -0.229 0.000 1.028 370 E CA 1.183 57.331 56.400 -0.420 0.000 0.845 370 E CB -0.143 29.238 29.700 -0.533 0.000 0.772 370 E HN 0.111 nan 8.360 nan 0.000 0.462 371 I N 1.027 121.471 120.570 -0.211 0.000 3.427 371 I HA -0.088 4.064 4.170 -0.029 0.000 0.288 371 I C 2.426 178.505 176.117 -0.064 0.000 1.249 371 I CA 0.700 61.921 61.300 -0.132 0.000 1.421 371 I CB -0.835 37.076 38.000 -0.149 0.000 1.086 371 I HN 0.002 nan 8.210 nan 0.000 0.448 372 S N 0.362 116.035 115.700 -0.045 0.000 2.400 372 S HA -0.161 4.292 4.470 -0.029 0.000 0.232 372 S C 1.679 176.263 174.600 -0.026 0.000 1.025 372 S CA 0.957 59.163 58.200 0.011 0.000 0.993 372 S CB 0.081 63.295 63.200 0.024 0.000 0.808 372 S HN 0.183 nan 8.310 nan 0.000 0.478 373 K N 1.368 121.730 120.400 -0.064 0.000 2.868 373 K HA 0.431 4.733 4.320 -0.029 0.000 0.304 373 K C 0.900 177.445 176.600 -0.090 0.000 1.007 373 K CA 0.343 56.586 56.287 -0.074 0.000 1.123 373 K CB 0.429 32.879 32.500 -0.084 0.000 1.408 373 K HN 0.457 nan 8.250 nan 0.000 0.522 374 S N -0.987 114.639 115.700 -0.124 0.000 3.486 374 S HA -0.271 4.182 4.470 -0.029 0.000 0.632 374 S C -0.016 174.503 174.600 -0.135 0.000 2.553 374 S CA 2.067 60.171 58.200 -0.161 0.000 2.974 374 S CB -1.828 61.312 63.200 -0.101 0.000 0.320 374 S HN 0.985 nan 8.310 nan 0.000 1.613 375 S N -1.332 114.295 115.700 -0.122 0.000 3.238 375 S HA -0.217 4.236 4.470 -0.029 0.000 0.366 375 S C 0.701 175.237 174.600 -0.106 0.000 1.130 375 S CA 1.351 59.486 58.200 -0.109 0.000 1.022 375 S CB -1.862 61.291 63.200 -0.079 0.000 0.913 375 S HN 1.568 nan 8.310 nan 0.000 0.545 376 V N -0.580 119.258 119.914 -0.127 0.000 2.996 376 V HA 0.094 4.197 4.120 -0.029 0.000 0.235 376 V C 1.692 177.713 176.094 -0.122 0.000 1.205 376 V CA 0.562 62.800 62.300 -0.104 0.000 1.225 376 V CB 0.116 31.886 31.823 -0.089 0.000 0.995 376 V HN 0.380 nan 8.190 nan 0.000 0.484 377 I N 0.809 121.270 120.570 -0.182 0.000 2.127 377 I HA -0.216 3.936 4.170 -0.029 0.000 0.241 377 I C 2.288 178.285 176.117 -0.200 0.000 1.075 377 I CA 1.860 63.034 61.300 -0.210 0.000 1.334 377 I CB -1.288 36.469 38.000 -0.404 0.000 1.040 377 I HN 0.370 nan 8.210 nan 0.000 0.405 378 D N 0.539 120.832 120.400 -0.179 0.000 2.218 378 D HA -0.171 4.451 4.640 -0.029 0.000 0.204 378 D C 1.538 177.764 176.300 -0.124 0.000 0.976 378 D CA 1.061 54.974 54.000 -0.145 0.000 0.853 378 D CB 0.099 40.831 40.800 -0.113 0.000 0.939 378 D HN 0.373 nan 8.370 nan 0.000 0.481 379 D N 0.116 120.450 120.400 -0.109 0.000 2.183 379 D HA -0.004 4.619 4.640 -0.029 0.000 0.205 379 D C 2.228 178.496 176.300 -0.053 0.000 0.962 379 D CA 0.186 54.146 54.000 -0.067 0.000 0.849 379 D CB -0.049 40.721 40.800 -0.049 0.000 0.978 379 D HN 0.257 nan 8.370 nan 0.000 0.488 380 I N 0.597 121.120 120.570 -0.078 0.000 2.353 380 I HA -0.162 3.991 4.170 -0.029 0.000 0.248 380 I C 2.276 178.338 176.117 -0.091 0.000 1.119 380 I CA 0.568 61.834 61.300 -0.056 0.000 1.417 380 I CB 0.087 38.057 38.000 -0.050 0.000 1.078 380 I HN -0.070 nan 8.210 nan 0.000 0.421 381 I N 0.410 120.828 120.570 -0.253 0.000 2.113 381 I HA -0.311 3.841 4.170 -0.029 0.000 0.238 381 I C 2.811 178.885 176.117 -0.072 0.000 1.070 381 I CA 1.368 62.388 61.300 -0.467 0.000 1.332 381 I CB -0.573 37.089 38.000 -0.565 0.000 1.044 381 I HN 0.183 nan 8.210 nan 0.000 0.402 382 A N 0.971 123.758 122.820 -0.055 0.000 1.915 382 A HA -0.323 3.980 4.320 -0.029 0.000 0.220 382 A C 2.365 179.985 177.584 0.060 0.000 1.198 382 A CA 2.797 54.845 52.037 0.018 0.000 0.647 382 A CB -1.172 17.833 19.000 0.009 0.000 0.825 382 A HN 0.580 nan 8.150 nan 0.000 0.456 383 S N -1.308 114.423 115.700 0.052 0.000 2.603 383 S HA -0.006 4.446 4.470 -0.029 0.000 0.229 383 S C 0.614 175.264 174.600 0.083 0.000 0.972 383 S CA 0.826 59.063 58.200 0.061 0.000 0.935 383 S CB -0.256 62.968 63.200 0.041 0.000 0.769 383 S HN 0.516 nan 8.310 nan 0.000 0.536 384 N N 1.668 120.449 118.700 0.135 0.000 2.726 384 N HA 0.116 4.838 4.740 -0.029 0.000 0.253 384 N C -0.693 174.916 175.510 0.164 0.000 1.530 384 N CA -0.123 53.012 53.050 0.143 0.000 0.772 384 N CB 1.046 39.631 38.487 0.162 0.000 1.220 384 N HN 0.323 nan 8.380 nan 0.000 0.508 385 D N 0.862 121.337 120.400 0.125 0.000 2.352 385 D HA 0.007 4.630 4.640 -0.029 0.000 0.232 385 D C 1.503 177.834 176.300 0.051 0.000 1.055 385 D CA 0.048 54.114 54.000 0.110 0.000 0.891 385 D CB 0.151 41.014 40.800 0.106 0.000 0.897 385 D HN 0.514 nan 8.370 nan 0.000 0.529 386 I N -0.479 120.108 120.570 0.028 0.000 2.353 386 I HA -0.179 3.974 4.170 -0.029 0.000 0.248 386 I C 1.785 177.858 176.117 -0.073 0.000 1.119 386 I CA 0.435 61.729 61.300 -0.010 0.000 1.417 386 I CB 0.027 38.016 38.000 -0.018 0.000 1.078 386 I HN 0.056 nan 8.210 nan 0.000 0.421 387 L N -0.404 120.740 121.223 -0.131 0.000 2.145 387 L HA 0.026 4.348 4.340 -0.029 0.000 0.201 387 L C 0.201 176.763 176.870 -0.513 0.000 1.075 387 L CA 1.349 55.971 54.840 -0.363 0.000 0.773 387 L CB -0.619 41.129 42.059 -0.519 0.000 0.936 387 L HN 0.083 nan 8.230 nan 0.000 0.451 388 Y N 0.464 120.773 120.300 0.015 0.000 2.342 388 Y HA 0.449 4.982 4.550 -0.028 0.000 0.338 388 Y C 0.149 176.062 175.900 0.022 0.000 0.965 388 Y CA -0.979 57.134 58.100 0.021 0.000 1.159 388 Y CB 0.531 39.007 38.460 0.027 0.000 1.157 388 Y HN 0.254 nan 8.280 nan 0.000 0.486 389 N N -0.960 117.798 118.700 0.096 0.000 3.308 389 N HA 0.244 4.967 4.740 -0.029 0.000 0.276 389 N C -0.729 174.814 175.510 0.055 0.000 1.533 389 N CA -0.846 52.245 53.050 0.068 0.000 0.878 389 N CB 0.666 39.174 38.487 0.036 0.000 1.566 389 N HN 0.142 nan 8.380 nan 0.000 0.546 390 D N -0.810 119.614 120.400 0.040 0.000 2.277 390 D HA -0.012 4.611 4.640 -0.029 0.000 0.208 390 D C 1.193 177.507 176.300 0.023 0.000 0.962 390 D CA 0.989 55.009 54.000 0.033 0.000 0.865 390 D CB 0.208 41.023 40.800 0.026 0.000 0.939 390 D HN 0.518 nan 8.370 nan 0.000 0.510 391 K N 0.274 120.683 120.400 0.015 0.000 2.021 391 K HA 0.067 4.370 4.320 -0.029 0.000 0.205 391 K C 1.470 178.071 176.600 0.002 0.000 1.047 391 K CA 0.575 56.865 56.287 0.007 0.000 0.943 391 K CB 0.097 32.598 32.500 0.001 0.000 0.725 391 K HN 0.087 nan 8.250 nan 0.000 0.439 392 L N 0.923 122.141 121.223 -0.009 0.000 2.599 392 L HA 0.235 4.557 4.340 -0.029 0.000 0.230 392 L C 0.452 177.321 176.870 -0.002 0.000 1.141 392 L CA 0.081 54.908 54.840 -0.022 0.000 0.877 392 L CB -0.525 41.495 42.059 -0.064 0.000 1.009 392 L HN 0.437 nan 8.230 nan 0.000 0.447 393 G N 2.192 111.008 108.800 0.027 0.000 2.999 393 G HA2 -0.237 3.706 3.960 -0.029 0.000 0.686 393 G HA3 -0.237 3.706 3.960 -0.029 0.000 0.686 393 G C 0.178 175.148 174.900 0.116 0.000 1.057 393 G CA -0.011 45.126 45.100 0.063 0.000 0.784 393 G HN 0.565 nan 8.290 nan 0.000 0.575 394 K N 0.348 120.843 120.400 0.158 0.000 2.440 394 K HA 0.417 4.719 4.320 -0.029 0.000 0.206 394 K C 0.623 177.380 176.600 0.261 0.000 1.025 394 K CA -0.215 56.231 56.287 0.265 0.000 1.135 394 K CB 0.774 33.377 32.500 0.172 0.000 0.856 394 K HN 0.380 nan 8.250 nan 0.000 0.502 395 K N 0.738 121.272 120.400 0.223 0.000 2.166 395 K HA 0.442 4.744 4.320 -0.029 0.000 0.245 395 K C -1.175 175.534 176.600 0.182 0.000 0.967 395 K CA -0.870 55.503 56.287 0.144 0.000 0.863 395 K CB 2.391 34.944 32.500 0.089 0.000 1.107 395 K HN -0.130 nan 8.250 nan 0.000 0.436 396 V N 2.649 122.634 119.914 0.118 0.000 2.380 396 V HA 0.124 4.226 4.120 -0.029 0.000 0.286 396 V C -1.009 175.196 176.094 0.185 0.000 1.015 396 V CA -0.983 61.418 62.300 0.169 0.000 0.834 396 V CB 1.298 33.187 31.823 0.110 0.000 1.009 396 V HN 0.727 nan 8.190 nan 0.000 0.428 397 D N 3.878 124.330 120.400 0.086 0.000 2.455 397 D HA 0.372 4.995 4.640 -0.029 0.000 0.241 397 D C -0.141 176.158 176.300 -0.002 0.000 1.138 397 D CA 0.873 54.840 54.000 -0.055 0.000 0.877 397 D CB 0.405 41.206 40.800 0.001 0.000 1.187 397 D HN 0.892 nan 8.370 nan 0.000 0.451 398 H N -1.533 117.533 119.070 -0.007 0.000 3.079 398 H HA 0.645 5.183 4.556 -0.030 0.000 0.356 398 H C -0.957 174.332 175.328 -0.065 0.000 1.221 398 H CA -1.229 54.794 56.048 -0.041 0.000 1.185 398 H CB 0.440 30.176 29.762 -0.044 0.000 1.882 398 H HN 0.463 nan 8.280 nan 0.000 0.543 399 C N 0.972 120.273 119.300 0.002 0.000 3.171 399 C HA 0.849 5.291 4.460 -0.029 0.000 0.308 399 C C -0.747 174.180 174.990 -0.104 0.000 1.334 399 C CA -0.962 58.029 59.018 -0.046 0.000 1.473 399 C CB 0.640 28.324 27.740 -0.093 0.000 1.866 399 C HN 0.937 nan 8.230 nan 0.000 0.465 400 I N 1.927 122.475 120.570 -0.036 0.000 2.468 400 I HA 0.598 4.751 4.170 -0.029 0.000 0.285 400 I C -0.995 175.209 176.117 0.146 0.000 1.039 400 I CA -0.253 61.041 61.300 -0.010 0.000 1.074 400 I CB 1.717 39.719 38.000 0.003 0.000 1.228 400 I HN 0.670 nan 8.210 nan 0.000 0.436 401 V N 7.888 127.831 119.914 0.047 0.000 2.577 401 V HA 0.496 4.599 4.120 -0.029 0.000 0.303 401 V C -0.606 175.583 176.094 0.158 0.000 1.042 401 V CA -0.627 61.747 62.300 0.124 0.000 0.872 401 V CB 2.304 34.199 31.823 0.119 0.000 0.998 401 V HN 0.525 nan 8.190 nan 0.000 0.423 402 I N 5.876 126.534 120.570 0.148 0.000 2.439 402 I HA 0.594 4.747 4.170 -0.029 0.000 0.285 402 I C -0.815 175.336 176.117 0.055 0.000 1.021 402 I CA -0.236 61.153 61.300 0.149 0.000 1.091 402 I CB 0.964 39.111 38.000 0.245 0.000 1.242 402 I HN 0.453 nan 8.210 nan 0.000 0.439 403 K N 6.571 127.048 120.400 0.128 0.000 2.259 403 K HA 0.261 4.564 4.320 -0.029 0.000 0.249 403 K C -1.291 175.434 176.600 0.208 0.000 0.942 403 K CA -0.712 55.643 56.287 0.113 0.000 0.816 403 K CB 2.003 34.547 32.500 0.073 0.000 1.155 403 K HN 0.596 nan 8.250 nan 0.000 0.428 404 Y N 2.778 123.119 120.300 0.067 0.000 2.436 404 Y HA 0.133 4.662 4.550 -0.035 0.000 0.343 404 Y C -0.241 175.699 175.900 0.066 0.000 1.008 404 Y CA -0.214 57.944 58.100 0.097 0.000 1.241 404 Y CB 0.600 39.139 38.460 0.133 0.000 1.153 404 Y HN 0.329 nan 8.280 nan 0.000 0.521 405 M N 7.604 127.060 119.600 -0.241 0.000 2.854 405 M HA 0.127 4.589 4.480 -0.029 0.000 0.203 405 M C 1.068 177.125 176.300 -0.405 0.000 1.069 405 M CA -0.345 54.791 55.300 -0.274 0.000 0.803 405 M CB 0.788 33.301 32.600 -0.145 0.000 1.380 405 M HN 0.805 nan 8.290 nan 0.000 0.494 406 K N 1.805 121.736 120.400 -0.780 0.000 2.184 406 K HA -0.190 4.113 4.320 -0.029 0.000 0.210 406 K C -1.098 175.351 176.600 -0.252 0.000 1.048 406 K CA 2.165 58.096 56.287 -0.593 0.000 0.931 406 K CB -0.420 31.790 32.500 -0.483 0.000 0.718 406 K HN 0.234 nan 8.250 nan 0.000 0.465 407 P HA -0.165 nan 4.420 nan 0.000 0.218 407 P C 1.223 178.487 177.300 -0.061 0.000 1.146 407 P CA 1.558 64.598 63.100 -0.100 0.000 0.813 407 P CB -0.083 31.566 31.700 -0.084 0.000 0.778 408 V N -4.974 114.911 119.914 -0.048 0.000 3.217 408 V HA 0.237 4.340 4.120 -0.029 0.000 0.264 408 V C 1.431 177.519 176.094 -0.009 0.000 1.135 408 V CA 0.885 63.185 62.300 0.000 0.000 1.142 408 V CB -1.402 30.459 31.823 0.063 0.000 0.754 408 V HN 0.337 nan 8.190 nan 0.000 0.484 409 G N 1.050 109.831 108.800 -0.033 0.000 2.531 409 G HA2 -0.464 3.479 3.960 -0.029 0.000 0.274 409 G HA3 -0.464 3.479 3.960 -0.029 0.000 0.274 409 G C 0.433 175.341 174.900 0.014 0.000 1.159 409 G CA 0.788 45.880 45.100 -0.014 0.000 0.969 409 G HN 0.620 nan 8.290 nan 0.000 0.554 410 D N 0.822 121.231 120.400 0.015 0.000 2.349 410 D HA 0.302 4.925 4.640 -0.029 0.000 0.215 410 D C 1.465 177.777 176.300 0.020 0.000 1.016 410 D CA 1.098 55.113 54.000 0.025 0.000 0.870 410 D CB -0.048 40.763 40.800 0.017 0.000 0.917 410 D HN 0.429 nan 8.370 nan 0.000 0.524 411 S N 0.294 116.001 115.700 0.012 0.000 2.560 411 S HA 0.128 4.580 4.470 -0.029 0.000 0.284 411 S C 0.009 174.603 174.600 -0.011 0.000 1.327 411 S CA -0.069 58.131 58.200 0.001 0.000 1.055 411 S CB 0.815 64.016 63.200 0.001 0.000 0.868 411 S HN 0.237 nan 8.310 nan 0.000 0.506 412 K N 2.380 122.756 120.400 -0.041 0.000 2.397 412 K HA 0.566 4.869 4.320 -0.029 0.000 0.253 412 K C -1.667 174.834 176.600 -0.165 0.000 0.932 412 K CA -0.589 55.653 56.287 -0.075 0.000 0.795 412 K CB 1.203 33.681 32.500 -0.036 0.000 1.159 412 K HN 0.310 nan 8.250 nan 0.000 0.424 413 V N 3.106 122.828 119.914 -0.320 0.000 2.417 413 V HA 0.805 4.908 4.120 -0.029 0.000 0.291 413 V C -0.506 175.372 176.094 -0.360 0.000 1.024 413 V CA -0.756 61.298 62.300 -0.409 0.000 0.861 413 V CB 1.152 32.660 31.823 -0.524 0.000 0.985 413 V HN 0.921 nan 8.190 nan 0.000 0.436 414 A N 5.980 128.628 122.820 -0.287 0.000 2.355 414 A HA 0.975 5.277 4.320 -0.029 0.000 0.317 414 A C -0.799 176.723 177.584 -0.103 0.000 1.094 414 A CA -0.616 51.336 52.037 -0.142 0.000 0.764 414 A CB 1.418 20.365 19.000 -0.088 0.000 1.230 414 A HN 0.796 nan 8.150 nan 0.000 0.448 415 M N 2.170 121.794 119.600 0.040 0.000 2.259 415 M HA 0.410 4.873 4.480 -0.029 0.000 0.304 415 M C -1.538 174.860 176.300 0.162 0.000 1.019 415 M CA -0.030 55.355 55.300 0.142 0.000 0.922 415 M CB 2.430 35.163 32.600 0.222 0.000 1.600 415 M HN 0.627 nan 8.290 nan 0.000 0.433 416 D N 2.672 123.147 120.400 0.124 0.000 2.896 416 D HA 0.325 4.947 4.640 -0.029 0.000 0.241 416 D C -1.125 175.166 176.300 -0.015 0.000 1.188 416 D CA -0.470 53.541 54.000 0.019 0.000 0.879 416 D CB 2.453 43.238 40.800 -0.026 0.000 1.553 416 D HN 0.452 nan 8.370 nan 0.000 0.515 417 E N 1.600 121.738 120.200 -0.103 0.000 2.187 417 E HA 0.316 4.649 4.350 -0.029 0.000 0.268 417 E C -1.178 175.286 176.600 -0.228 0.000 0.896 417 E CA -0.641 55.739 56.400 -0.032 0.000 0.766 417 E CB 2.074 31.823 29.700 0.081 0.000 1.142 417 E HN 0.370 nan 8.360 nan 0.000 0.408 418 Y N 1.496 121.900 120.300 0.174 0.000 2.341 418 Y HA 0.297 4.833 4.550 -0.024 0.000 0.338 418 Y C -0.574 175.491 175.900 0.276 0.000 0.965 418 Y CA -0.852 57.365 58.100 0.195 0.000 1.108 418 Y CB 1.529 40.083 38.460 0.156 0.000 1.180 418 Y HN 0.447 nan 8.280 nan 0.000 0.458 419 Y N 2.363 122.804 120.300 0.235 0.000 2.328 419 Y HA 0.658 5.191 4.550 -0.029 0.000 0.336 419 Y C -0.615 175.423 175.900 0.231 0.000 0.960 419 Y CA -0.414 57.804 58.100 0.198 0.000 1.134 419 Y CB 1.004 39.545 38.460 0.134 0.000 1.166 419 Y HN 0.623 nan 8.280 nan 0.000 0.464 420 S N 4.365 120.001 115.700 -0.106 0.000 2.568 420 S HA 0.327 4.780 4.470 -0.029 0.000 0.293 420 S C -1.280 173.182 174.600 -0.230 0.000 1.089 420 S CA -1.033 57.117 58.200 -0.083 0.000 0.945 420 S CB 1.695 64.900 63.200 0.009 0.000 1.077 420 S HN 0.672 nan 8.310 nan 0.000 0.485 421 E N 1.670 121.743 120.200 -0.211 0.000 2.289 421 E HA 0.346 4.679 4.350 -0.029 0.000 0.278 421 E C -0.563 175.883 176.600 -0.257 0.000 1.032 421 E CA -0.137 56.051 56.400 -0.353 0.000 0.854 421 E CB 0.629 30.160 29.700 -0.281 0.000 1.046 421 E HN 0.363 nan 8.360 nan 0.000 0.409 422 L N 2.540 123.588 121.223 -0.293 0.000 2.397 422 L HA 0.460 4.782 4.340 -0.029 0.000 0.266 422 L C 0.566 177.334 176.870 -0.169 0.000 1.040 422 L CA -1.280 53.453 54.840 -0.179 0.000 0.800 422 L CB 0.693 42.681 42.059 -0.119 0.000 1.324 422 L HN 0.548 nan 8.230 nan 0.000 0.469 423 M N 0.600 120.133 119.600 -0.111 0.000 2.245 423 M HA 0.267 4.729 4.480 -0.029 0.000 0.344 423 M C -0.033 176.218 176.300 -0.080 0.000 1.170 423 M CA 0.038 55.285 55.300 -0.089 0.000 1.135 423 M CB 0.395 32.957 32.600 -0.062 0.000 1.574 423 M HN 0.470 nan 8.290 nan 0.000 0.452 424 L N 3.453 124.634 121.223 -0.070 0.000 3.601 424 L HA -0.279 4.043 4.340 -0.029 0.000 0.469 424 L C 0.976 177.817 176.870 -0.047 0.000 1.294 424 L CA 0.731 55.542 54.840 -0.048 0.000 0.829 424 L CB -2.544 39.496 42.059 -0.031 0.000 1.628 424 L HN 1.338 nan 8.230 nan 0.000 0.868 425 G N -1.744 107.010 108.800 -0.076 0.000 2.284 425 G HA2 -0.239 3.704 3.960 -0.029 0.000 0.247 425 G HA3 -0.239 3.704 3.960 -0.029 0.000 0.247 425 G C 0.738 175.578 174.900 -0.100 0.000 1.012 425 G CA 0.163 45.225 45.100 -0.062 0.000 0.618 425 G HN 1.220 nan 8.290 nan 0.000 0.521 426 G N -0.249 108.486 108.800 -0.107 0.000 2.690 426 G HA2 0.452 4.394 3.960 -0.029 0.000 0.239 426 G HA3 0.452 4.394 3.960 -0.029 0.000 0.239 426 G C -0.174 174.542 174.900 -0.308 0.000 1.233 426 G CA 0.460 45.510 45.100 -0.082 0.000 0.847 426 G HN 0.672 nan 8.290 nan 0.000 0.588 427 H N -0.549 118.495 119.070 -0.043 0.000 2.985 427 H HA 0.350 4.889 4.556 -0.029 0.000 0.360 427 H C -0.774 174.531 175.328 -0.039 0.000 1.221 427 H CA -0.708 55.263 56.048 -0.130 0.000 1.121 427 H CB 2.397 32.031 29.762 -0.214 0.000 1.854 427 H HN 0.579 nan 8.280 nan 0.000 0.551 428 N N 1.118 119.856 118.700 0.063 0.000 2.295 428 N HA 0.243 4.965 4.740 -0.029 0.000 0.293 428 N C -1.203 174.440 175.510 0.222 0.000 1.040 428 N CA -0.509 52.613 53.050 0.119 0.000 0.840 428 N CB 2.762 41.290 38.487 0.068 0.000 1.468 428 N HN 0.546 nan 8.380 nan 0.000 0.478 429 R N 4.501 125.158 120.500 0.261 0.000 2.409 429 R HA 0.522 4.845 4.340 -0.029 0.000 0.313 429 R C -1.235 175.212 176.300 0.246 0.000 0.953 429 R CA -0.382 55.921 56.100 0.337 0.000 0.849 429 R CB 0.760 31.244 30.300 0.306 0.000 1.171 429 R HN 0.515 nan 8.270 nan 0.000 0.458 430 I N 3.414 124.157 120.570 0.288 0.000 2.474 430 I HA 0.376 4.529 4.170 -0.029 0.000 0.294 430 I C -0.575 175.724 176.117 0.303 0.000 1.005 430 I CA -0.659 60.790 61.300 0.249 0.000 1.113 430 I CB 2.270 40.395 38.000 0.209 0.000 1.289 430 I HN 0.762 nan 8.210 nan 0.000 0.436 431 S N 6.770 122.601 115.700 0.218 0.000 2.538 431 S HA 0.660 5.113 4.470 -0.029 0.000 0.288 431 S C -0.945 173.771 174.600 0.193 0.000 1.108 431 S CA -0.825 57.504 58.200 0.215 0.000 0.971 431 S CB 1.921 65.211 63.200 0.151 0.000 1.041 431 S HN 0.331 nan 8.310 nan 0.000 0.483 432 I N 4.190 124.889 120.570 0.215 0.000 2.328 432 I HA 0.353 4.506 4.170 -0.029 0.000 0.287 432 I C 0.278 176.502 176.117 0.177 0.000 1.012 432 I CA -0.246 61.159 61.300 0.176 0.000 1.195 432 I CB 0.595 38.702 38.000 0.178 0.000 1.350 432 I HN 0.874 nan 8.210 nan 0.000 0.464 433 H N 6.795 125.899 119.070 0.057 0.000 2.459 433 H HA 0.399 4.937 4.556 -0.030 0.000 0.332 433 H C -1.204 174.141 175.328 0.028 0.000 1.094 433 H CA -0.420 55.652 56.048 0.040 0.000 1.224 433 H CB 1.722 31.503 29.762 0.031 0.000 1.449 433 H HN 0.503 nan 8.280 nan 0.000 0.484 434 N N 4.505 123.024 118.700 -0.301 0.000 2.461 434 N HA 0.205 4.928 4.740 -0.029 0.000 0.284 434 N C -1.813 173.525 175.510 -0.288 0.000 1.049 434 N CA -0.415 52.513 53.050 -0.203 0.000 0.889 434 N CB 1.687 40.114 38.487 -0.101 0.000 1.365 434 N HN 0.267 nan 8.380 nan 0.000 0.499 435 V N 3.214 123.022 119.914 -0.177 0.000 2.444 435 V HA 0.670 4.773 4.120 -0.029 0.000 0.294 435 V C -0.106 175.960 176.094 -0.047 0.000 1.022 435 V CA -0.599 61.624 62.300 -0.128 0.000 0.850 435 V CB 0.858 32.647 31.823 -0.055 0.000 0.992 435 V HN 0.925 nan 8.190 nan 0.000 0.426 436 C N 2.391 121.667 119.300 -0.040 0.000 3.292 436 C HA 0.606 5.049 4.460 -0.029 0.000 0.338 436 C C -0.808 174.181 174.990 -0.002 0.000 1.323 436 C CA -0.986 58.028 59.018 -0.006 0.000 1.232 436 C CB 1.487 29.231 27.740 0.006 0.000 1.517 436 C HN 0.863 nan 8.230 nan 0.000 0.470 437 E N 1.756 121.964 120.200 0.013 0.000 2.217 437 E HA 0.175 4.508 4.350 -0.029 0.000 0.279 437 E C 0.102 176.714 176.600 0.020 0.000 1.068 437 E CA 0.060 56.469 56.400 0.015 0.000 0.882 437 E CB 0.915 30.626 29.700 0.019 0.000 1.039 437 E HN 0.729 nan 8.360 nan 0.000 0.418 438 D N 2.277 122.688 120.400 0.020 0.000 2.347 438 D HA -0.101 4.521 4.640 -0.029 0.000 0.215 438 D C 1.213 177.533 176.300 0.034 0.000 0.976 438 D CA 0.306 54.321 54.000 0.026 0.000 0.884 438 D CB -0.053 40.762 40.800 0.024 0.000 0.915 438 D HN 0.149 nan 8.370 nan 0.000 0.526 439 S N 0.260 115.978 115.700 0.030 0.000 2.400 439 S HA -0.023 4.430 4.470 -0.029 0.000 0.232 439 S C 1.816 176.436 174.600 0.033 0.000 1.025 439 S CA 0.381 58.598 58.200 0.028 0.000 0.993 439 S CB -0.284 62.926 63.200 0.016 0.000 0.808 439 S HN 0.341 nan 8.310 nan 0.000 0.478 440 L N 0.385 121.629 121.223 0.036 0.000 2.622 440 L HA 0.018 4.340 4.340 -0.029 0.000 0.233 440 L C 1.371 178.281 176.870 0.066 0.000 1.156 440 L CA 0.316 55.184 54.840 0.046 0.000 0.866 440 L CB -0.103 41.984 42.059 0.046 0.000 0.980 440 L HN 0.281 nan 8.230 nan 0.000 0.448 441 L N -1.605 119.656 121.223 0.063 0.000 2.624 441 L HA 0.251 4.574 4.340 -0.029 0.000 0.222 441 L C 2.416 179.334 176.870 0.080 0.000 1.046 441 L CA 1.120 56.005 54.840 0.075 0.000 0.872 441 L CB -0.430 41.666 42.059 0.061 0.000 1.190 441 L HN 0.001 nan 8.230 nan 0.000 0.487 442 A N -1.070 121.789 122.820 0.065 0.000 1.969 442 A HA -0.143 4.160 4.320 -0.029 0.000 0.218 442 A C 2.185 179.806 177.584 0.061 0.000 1.169 442 A CA 2.277 54.353 52.037 0.065 0.000 0.635 442 A CB -0.839 18.193 19.000 0.053 0.000 0.810 442 A HN 0.395 nan 8.150 nan 0.000 0.445 443 T N 0.704 115.293 114.554 0.058 0.000 2.643 443 T HA -0.073 4.260 4.350 -0.029 0.000 0.264 443 T C -0.286 174.458 174.700 0.072 0.000 1.045 443 T CA 1.706 63.842 62.100 0.059 0.000 1.155 443 T CB -1.112 67.789 68.868 0.055 0.000 0.863 443 T HN 0.435 nan 8.240 nan 0.000 0.420 444 P HA -0.011 nan 4.420 nan 0.000 0.219 444 P C 1.710 179.035 177.300 0.042 0.000 1.146 444 P CA 0.765 63.919 63.100 0.090 0.000 0.808 444 P CB -0.199 31.577 31.700 0.128 0.000 0.779 445 L N -0.957 120.305 121.223 0.065 0.000 2.027 445 L HA -0.101 4.222 4.340 -0.029 0.000 0.206 445 L C 2.521 179.330 176.870 -0.101 0.000 1.074 445 L CA 1.431 56.299 54.840 0.047 0.000 0.745 445 L CB -0.710 41.435 42.059 0.144 0.000 0.898 445 L HN -0.218 nan 8.230 nan 0.000 0.433 446 I N -0.273 120.282 120.570 -0.026 0.000 2.163 446 I HA -0.362 3.791 4.170 -0.029 0.000 0.243 446 I C 2.314 178.404 176.117 -0.046 0.000 1.085 446 I CA 1.543 62.820 61.300 -0.038 0.000 1.347 446 I CB -0.177 37.829 38.000 0.009 0.000 1.044 446 I HN 0.268 nan 8.210 nan 0.000 0.408 447 I N 0.390 120.967 120.570 0.012 0.000 2.039 447 I HA -0.377 3.776 4.170 -0.029 0.000 0.233 447 I C 2.200 178.254 176.117 -0.105 0.000 1.040 447 I CA 1.670 63.012 61.300 0.071 0.000 1.308 447 I CB -0.729 37.268 38.000 -0.006 0.000 1.035 447 I HN 0.249 nan 8.210 nan 0.000 0.392 448 D N 0.893 121.133 120.400 -0.266 0.000 2.242 448 D HA -0.240 4.382 4.640 -0.029 0.000 0.190 448 D C 2.153 177.977 176.300 -0.793 0.000 1.012 448 D CA 1.647 55.320 54.000 -0.545 0.000 0.875 448 D CB -0.509 39.883 40.800 -0.680 0.000 0.922 448 D HN 0.334 nan 8.370 nan 0.000 0.448 449 L N -0.268 120.500 121.223 -0.758 0.000 2.217 449 L HA -0.075 4.248 4.340 -0.029 0.000 0.211 449 L C 2.499 179.203 176.870 -0.277 0.000 1.107 449 L CA 0.365 54.832 54.840 -0.622 0.000 0.783 449 L CB -0.132 41.719 42.059 -0.347 0.000 0.919 449 L HN 0.046 nan 8.230 nan 0.000 0.442 450 L N -1.597 119.517 121.223 -0.182 0.000 2.127 450 L HA -0.089 4.234 4.340 -0.029 0.000 0.203 450 L C 2.445 179.266 176.870 -0.081 0.000 1.080 450 L CA 0.319 55.060 54.840 -0.164 0.000 0.768 450 L CB -0.325 41.558 42.059 -0.292 0.000 0.924 450 L HN -0.033 nan 8.230 nan 0.000 0.444 451 V N -0.200 119.727 119.914 0.021 0.000 2.469 451 V HA -0.289 3.814 4.120 -0.029 0.000 0.251 451 V C 2.434 178.561 176.094 0.055 0.000 1.064 451 V CA 1.487 63.833 62.300 0.078 0.000 1.066 451 V CB -0.324 31.527 31.823 0.046 0.000 0.667 451 V HN 0.391 nan 8.190 nan 0.000 0.461 452 M N -1.358 118.222 119.600 -0.032 0.000 2.466 452 M HA -0.006 4.456 4.480 -0.029 0.000 0.265 452 M C 2.235 178.654 176.300 0.199 0.000 1.122 452 M CA 1.203 56.560 55.300 0.095 0.000 1.157 452 M CB -1.188 31.431 32.600 0.033 0.000 1.352 452 M HN 0.302 nan 8.290 nan 0.000 0.464 453 T N 0.603 115.209 114.554 0.086 0.000 2.833 453 T HA -0.140 4.193 4.350 -0.029 0.000 0.269 453 T C 1.802 176.483 174.700 -0.032 0.000 1.054 453 T CA 1.223 63.378 62.100 0.090 0.000 1.135 453 T CB -0.004 68.855 68.868 -0.016 0.000 0.869 453 T HN 0.325 nan 8.240 nan 0.000 0.466 454 E N 0.541 120.736 120.200 -0.009 0.000 2.028 454 E HA -0.065 4.268 4.350 -0.029 0.000 0.190 454 E C 1.968 178.595 176.600 0.046 0.000 0.984 454 E CA 0.813 57.188 56.400 -0.042 0.000 0.800 454 E CB -0.377 29.312 29.700 -0.019 0.000 0.758 454 E HN 0.507 nan 8.360 nan 0.000 0.448 455 F N 1.518 121.481 119.950 0.022 0.000 2.063 455 F HA -0.314 4.195 4.527 -0.029 0.000 0.298 455 F C 2.626 178.480 175.800 0.091 0.000 1.109 455 F CA 2.099 60.132 58.000 0.055 0.000 1.212 455 F CB -0.553 38.498 39.000 0.085 0.000 0.973 455 F HN 0.110 nan 8.300 nan 0.000 0.480 456 C N -0.232 119.313 119.300 0.407 0.000 2.401 456 C HA -0.185 4.258 4.460 -0.029 0.000 0.286 456 C C 2.735 177.839 174.990 0.191 0.000 1.332 456 C CA 1.727 60.987 59.018 0.403 0.000 1.795 456 C CB -1.774 26.530 27.740 0.941 0.000 1.922 456 C HN 0.619 nan 8.230 nan 0.000 0.520 457 T N -0.647 113.965 114.554 0.096 0.000 3.067 457 T HA 0.009 4.342 4.350 -0.029 0.000 0.261 457 T C 1.572 176.236 174.700 -0.060 0.000 1.110 457 T CA 0.774 62.888 62.100 0.024 0.000 1.113 457 T CB -0.171 68.514 68.868 -0.305 0.000 0.917 457 T HN 0.568 nan 8.240 nan 0.000 0.499 458 R N 0.412 120.808 120.500 -0.173 0.000 2.515 458 R HA 0.330 4.653 4.340 -0.029 0.000 0.294 458 R C -0.818 175.309 176.300 -0.287 0.000 1.021 458 R CA -0.075 55.891 56.100 -0.223 0.000 1.081 458 R CB 0.849 30.988 30.300 -0.270 0.000 1.263 458 R HN 0.138 nan 8.270 nan 0.000 0.557 459 V N 1.018 120.762 119.914 -0.284 0.000 2.531 459 V HA 0.335 4.437 4.120 -0.029 0.000 0.301 459 V C -0.330 175.648 176.094 -0.193 0.000 1.034 459 V CA -0.608 61.530 62.300 -0.270 0.000 0.865 459 V CB 2.009 33.625 31.823 -0.344 0.000 0.995 459 V HN 0.273 nan 8.190 nan 0.000 0.424 460 S N 4.292 119.985 115.700 -0.011 0.000 2.667 460 S HA 0.945 5.398 4.470 -0.029 0.000 0.292 460 S C -1.089 173.786 174.600 0.458 0.000 1.126 460 S CA -0.823 57.468 58.200 0.152 0.000 0.881 460 S CB 2.282 65.500 63.200 0.031 0.000 1.132 460 S HN 0.952 nan 8.310 nan 0.000 0.492 461 Y N -1.191 119.339 120.300 0.382 0.000 2.615 461 Y HA 0.832 5.364 4.550 -0.029 0.000 0.341 461 Y C -1.488 174.486 175.900 0.122 0.000 1.089 461 Y CA -1.242 56.996 58.100 0.231 0.000 1.049 461 Y CB 1.380 39.894 38.460 0.089 0.000 1.296 461 Y HN 0.943 nan 8.280 nan 0.000 0.470 462 K N 1.252 121.606 120.400 -0.075 0.000 2.513 462 K HA 0.467 4.770 4.320 -0.029 0.000 0.251 462 K C -1.810 174.816 176.600 0.043 0.000 0.939 462 K CA -1.134 55.014 56.287 -0.231 0.000 0.793 462 K CB 2.537 34.659 32.500 -0.630 0.000 1.241 462 K HN 0.645 nan 8.250 nan 0.000 0.431 463 K N 2.509 122.971 120.400 0.105 0.000 2.363 463 K HA 0.131 4.433 4.320 -0.029 0.000 0.289 463 K C -0.235 176.294 176.600 -0.119 0.000 1.063 463 K CA -0.307 55.979 56.287 -0.002 0.000 0.967 463 K CB 0.751 33.280 32.500 0.048 0.000 0.987 463 K HN 0.402 nan 8.250 nan 0.000 0.473 464 V N 2.496 122.313 119.914 -0.161 0.000 3.561 464 V HA 0.239 4.342 4.120 -0.029 0.000 0.290 464 V C 0.173 176.197 176.094 -0.115 0.000 1.052 464 V CA -0.422 61.800 62.300 -0.130 0.000 0.973 464 V CB 1.525 33.281 31.823 -0.112 0.000 1.243 464 V HN 0.787 nan 8.190 nan 0.000 0.432 465 D N -0.898 119.450 120.400 -0.087 0.000 2.645 465 D HA 0.423 5.045 4.640 -0.029 0.000 0.228 465 D C -2.294 173.973 176.300 -0.056 0.000 1.148 465 D CA -1.227 52.731 54.000 -0.069 0.000 0.860 465 D CB 2.589 43.355 40.800 -0.057 0.000 1.548 465 D HN 0.205 nan 8.370 nan 0.000 0.460 466 P HA 0.162 nan 4.420 nan 0.000 0.255 466 P C 0.160 177.443 177.300 -0.030 0.000 1.248 466 P CA 0.329 63.407 63.100 -0.038 0.000 0.807 466 P CB 0.660 32.338 31.700 -0.037 0.000 1.150 467 V N -0.694 119.202 119.914 -0.029 0.000 4.703 467 V HA 0.102 4.205 4.120 -0.029 0.000 0.696 467 V C 0.569 176.648 176.094 -0.025 0.000 2.133 467 V CA -0.156 62.130 62.300 -0.024 0.000 3.034 467 V CB -0.197 31.614 31.823 -0.020 0.000 0.998 467 V HN 0.244 nan 8.190 nan 0.000 0.583 468 K N -0.141 120.241 120.400 -0.030 0.000 2.564 468 K HA 0.231 4.534 4.320 -0.029 0.000 0.177 468 K C 0.762 177.339 176.600 -0.038 0.000 1.518 468 K CA 0.429 56.697 56.287 -0.030 0.000 1.076 468 K CB 0.416 32.900 32.500 -0.028 0.000 1.335 468 K HN 0.198 nan 8.250 nan 0.000 0.571 469 E N 2.005 122.178 120.200 -0.045 0.000 3.684 469 E HA -0.254 4.079 4.350 -0.029 0.000 0.491 469 E C -0.326 176.238 176.600 -0.061 0.000 0.799 469 E CA 1.940 58.305 56.400 -0.059 0.000 3.179 469 E CB -0.252 29.411 29.700 -0.062 0.000 0.772 469 E HN 0.350 nan 8.360 nan 0.000 0.429 470 D N -1.141 119.218 120.400 -0.068 0.000 2.053 470 D HA -0.231 4.391 4.640 -0.029 0.000 0.085 470 D C 0.257 176.520 176.300 -0.061 0.000 0.943 470 D CA 1.851 55.809 54.000 -0.069 0.000 0.379 470 D CB -0.053 40.716 40.800 -0.052 0.000 0.807 470 D HN 0.678 nan 8.370 nan 0.000 0.307 471 A N -0.914 121.870 122.820 -0.059 0.000 2.828 471 A HA 0.259 4.562 4.320 -0.029 0.000 0.211 471 A C 1.022 178.570 177.584 -0.060 0.000 2.598 471 A CA 0.929 52.936 52.037 -0.049 0.000 1.695 471 A CB -1.189 17.780 19.000 -0.052 0.000 0.229 471 A HN 1.866 nan 8.150 nan 0.000 0.547 472 G N -0.252 108.493 108.800 -0.092 0.000 2.528 472 G HA2 0.179 4.122 3.960 -0.029 0.000 0.262 472 G HA3 0.179 4.122 3.960 -0.029 0.000 0.262 472 G C 0.261 175.046 174.900 -0.192 0.000 1.200 472 G CA 1.166 46.183 45.100 -0.138 0.000 0.951 472 G HN 2.189 nan 8.290 nan 0.000 0.566 473 K N -1.121 119.182 120.400 -0.162 0.000 6.236 473 K HA -0.077 4.225 4.320 -0.029 0.000 0.607 473 K C 0.092 176.572 176.600 -0.200 0.000 1.570 473 K CA 0.932 57.151 56.287 -0.112 0.000 1.551 473 K CB -1.649 30.823 32.500 -0.048 0.000 1.812 473 K HN 0.947 nan 8.250 nan 0.000 0.338 474 F N 1.858 121.745 119.950 -0.104 0.000 2.539 474 F HA 0.199 4.709 4.527 -0.029 0.000 0.340 474 F C 1.540 177.227 175.800 -0.188 0.000 1.185 474 F CA 0.711 58.618 58.000 -0.155 0.000 1.333 474 F CB 0.540 39.480 39.000 -0.100 0.000 1.152 474 F HN 0.478 nan 8.300 nan 0.000 0.602 475 E N 0.544 120.668 120.200 -0.128 0.000 2.392 475 E HA 0.268 4.601 4.350 -0.029 0.000 0.269 475 E C -1.140 175.411 176.600 -0.081 0.000 0.924 475 E CA -1.109 55.184 56.400 -0.180 0.000 0.784 475 E CB 1.512 31.006 29.700 -0.342 0.000 1.292 475 E HN 0.456 nan 8.360 nan 0.000 0.447 476 N N 0.916 119.656 118.700 0.065 0.000 2.513 476 N HA 0.214 4.937 4.740 -0.029 0.000 0.274 476 N C -0.430 175.349 175.510 0.449 0.000 1.189 476 N CA -0.044 53.119 53.050 0.187 0.000 0.975 476 N CB 0.363 38.928 38.487 0.130 0.000 1.157 476 N HN 0.378 nan 8.380 nan 0.000 0.465 477 F N 1.156 121.265 119.950 0.266 0.000 2.628 477 F HA -0.231 4.279 4.527 -0.028 0.000 0.362 477 F C 1.100 176.955 175.800 0.091 0.000 1.106 477 F CA -0.248 57.858 58.000 0.176 0.000 1.333 477 F CB 0.248 39.203 39.000 -0.075 0.000 0.996 477 F HN 0.429 nan 8.300 nan 0.000 0.608 478 Y N 6.453 126.789 120.300 0.060 0.000 2.810 478 Y HA -0.013 4.519 4.550 -0.029 0.000 0.332 478 Y C -1.669 174.147 175.900 -0.140 0.000 1.243 478 Y CA -2.342 55.729 58.100 -0.049 0.000 1.537 478 Y CB 0.087 38.453 38.460 -0.157 0.000 1.265 478 Y HN 0.317 nan 8.280 nan 0.000 0.572 479 P HA -0.307 nan 4.420 nan 0.000 0.218 479 P C -0.004 176.964 177.300 -0.554 0.000 1.132 479 P CA 2.096 64.871 63.100 -0.542 0.000 0.968 479 P CB -0.153 31.216 31.700 -0.553 0.000 0.783 480 V N 1.101 120.584 119.914 -0.718 0.000 2.479 480 V HA -0.144 3.958 4.120 -0.029 0.000 0.284 480 V C 1.106 177.054 176.094 -0.244 0.000 0.981 480 V CA 0.745 62.806 62.300 -0.398 0.000 1.139 480 V CB -1.111 30.554 31.823 -0.262 0.000 0.947 480 V HN 0.086 nan 8.190 nan 0.000 0.468 481 L N 6.189 127.332 121.223 -0.133 0.000 2.511 481 L HA 0.028 4.350 4.340 -0.029 0.000 0.239 481 L C 2.174 179.033 176.870 -0.018 0.000 1.400 481 L CA 0.337 55.153 54.840 -0.039 0.000 1.226 481 L CB -0.422 41.759 42.059 0.202 0.000 1.475 481 L HN 0.905 nan 8.230 nan 0.000 0.428 482 T N -2.509 111.946 114.554 -0.164 0.000 2.969 482 T HA -0.226 4.106 4.350 -0.029 0.000 0.271 482 T C 1.373 175.985 174.700 -0.146 0.000 1.127 482 T CA 1.154 63.153 62.100 -0.168 0.000 1.102 482 T CB -0.377 68.324 68.868 -0.278 0.000 0.855 482 T HN 0.436 nan 8.240 nan 0.000 0.536 483 F N 0.648 120.499 119.950 -0.165 0.000 2.546 483 F HA 0.260 4.769 4.527 -0.029 0.000 0.298 483 F C 1.255 177.099 175.800 0.074 0.000 1.120 483 F CA 0.135 58.055 58.000 -0.134 0.000 1.456 483 F CB 0.163 39.034 39.000 -0.216 0.000 1.088 483 F HN 0.200 nan 8.300 nan 0.000 0.572 484 L N -0.707 120.729 121.223 0.355 0.000 3.084 484 L HA 0.195 4.518 4.340 -0.029 0.000 0.238 484 L C 0.925 178.001 176.870 0.342 0.000 1.327 484 L CA 0.347 55.524 54.840 0.561 0.000 1.094 484 L CB -0.546 41.825 42.059 0.520 0.000 1.477 484 L HN -0.011 nan 8.230 nan 0.000 0.514 485 S N -1.160 114.626 115.700 0.143 0.000 2.502 485 S HA -0.040 4.413 4.470 -0.029 0.000 0.215 485 S C 1.568 176.165 174.600 -0.004 0.000 1.009 485 S CA -0.214 58.029 58.200 0.071 0.000 0.908 485 S CB 0.065 63.275 63.200 0.017 0.000 0.801 485 S HN 0.543 nan 8.310 nan 0.000 0.505 486 Y N 0.876 120.980 120.300 -0.327 0.000 2.384 486 Y HA -0.129 4.405 4.550 -0.027 0.000 0.289 486 Y C 1.302 176.909 175.900 -0.489 0.000 1.152 486 Y CA 1.514 59.277 58.100 -0.563 0.000 1.258 486 Y CB -0.003 37.760 38.460 -1.162 0.000 0.979 486 Y HN 0.361 nan 8.280 nan 0.000 0.549 487 W N -1.314 120.081 121.300 0.158 0.000 2.975 487 W HA 0.294 4.936 4.660 -0.030 0.000 0.316 487 W C -0.778 175.761 176.519 0.034 0.000 1.131 487 W CA -0.240 57.154 57.345 0.082 0.000 1.624 487 W CB 0.228 29.790 29.460 0.170 0.000 1.038 487 W HN -0.145 nan 8.180 nan 0.000 0.571 488 L N 0.465 121.808 121.223 0.200 0.000 2.334 488 L HA 0.336 4.658 4.340 -0.029 0.000 0.273 488 L C 1.287 178.190 176.870 0.056 0.000 1.013 488 L CA -0.682 54.240 54.840 0.136 0.000 0.816 488 L CB 1.549 43.702 42.059 0.157 0.000 1.278 488 L HN -0.249 nan 8.230 nan 0.000 0.431 489 K N 1.489 121.914 120.400 0.041 0.000 2.186 489 K HA 0.213 4.516 4.320 -0.029 0.000 0.202 489 K C 0.397 177.003 176.600 0.011 0.000 1.052 489 K CA 0.876 57.168 56.287 0.009 0.000 0.965 489 K CB 0.344 32.847 32.500 0.005 0.000 0.746 489 K HN 0.687 nan 8.250 nan 0.000 0.457 490 A N 2.171 125.013 122.820 0.035 0.000 3.215 490 A HA 0.321 4.624 4.320 -0.029 0.000 0.320 490 A C -2.571 175.052 177.584 0.065 0.000 1.084 490 A CA -1.460 50.603 52.037 0.043 0.000 0.969 490 A CB 0.162 19.195 19.000 0.056 0.000 1.064 490 A HN 0.008 nan 8.150 nan 0.000 0.513 491 P HA -0.113 nan 4.420 nan 0.000 0.249 491 P C 0.402 177.748 177.300 0.077 0.000 1.140 491 P CA 0.463 63.604 63.100 0.068 0.000 0.803 491 P CB 0.101 31.823 31.700 0.037 0.000 0.745 492 L N 3.737 125.025 121.223 0.108 0.000 2.483 492 L HA 0.119 4.442 4.340 -0.029 0.000 0.277 492 L C 1.069 177.980 176.870 0.069 0.000 1.248 492 L CA 1.334 56.245 54.840 0.118 0.000 0.825 492 L CB 0.466 42.627 42.059 0.170 0.000 1.096 492 L HN 0.490 nan 8.230 nan 0.000 0.512 493 T N 1.092 115.692 114.554 0.076 0.000 2.565 493 T HA 0.528 4.861 4.350 -0.029 0.000 0.253 493 T C -0.503 174.273 174.700 0.127 0.000 0.868 493 T CA -0.865 61.274 62.100 0.064 0.000 1.213 493 T CB 1.539 70.464 68.868 0.095 0.000 1.518 493 T HN 0.706 nan 8.240 nan 0.000 0.474 494 R N 0.839 121.400 120.500 0.102 0.000 2.574 494 R HA 0.623 4.946 4.340 -0.029 0.000 0.288 494 R C -3.149 173.256 176.300 0.176 0.000 1.004 494 R CA -1.598 54.571 56.100 0.116 0.000 0.895 494 R CB 1.457 31.632 30.300 -0.208 0.000 1.191 494 R HN 0.377 nan 8.270 nan 0.000 0.444 495 P HA -0.078 nan 4.420 nan 0.000 0.270 495 P C 0.512 177.910 177.300 0.164 0.000 1.181 495 P CA 1.927 65.115 63.100 0.146 0.000 0.767 495 P CB 0.468 32.231 31.700 0.104 0.000 0.799 496 G N 0.218 109.080 108.800 0.104 0.000 2.262 496 G HA2 -0.318 3.625 3.960 -0.029 0.000 0.269 496 G HA3 -0.318 3.625 3.960 -0.029 0.000 0.269 496 G C 0.139 175.001 174.900 -0.064 0.000 0.984 496 G CA -0.002 45.106 45.100 0.013 0.000 0.649 496 G HN 0.426 nan 8.290 nan 0.000 0.548 497 F N 1.265 121.202 119.950 -0.021 0.000 2.396 497 F HA 0.500 5.009 4.527 -0.030 0.000 0.343 497 F C 1.243 177.095 175.800 0.087 0.000 1.104 497 F CA -0.584 57.392 58.000 -0.040 0.000 1.161 497 F CB 0.722 39.699 39.000 -0.038 0.000 1.146 497 F HN 0.133 nan 8.300 nan 0.000 0.522 498 H N 4.348 123.530 119.070 0.187 0.000 2.646 498 H HA 0.174 4.714 4.556 -0.027 0.000 0.325 498 H C -1.767 173.621 175.328 0.101 0.000 1.075 498 H CA -1.882 54.233 56.048 0.110 0.000 1.421 498 H CB 0.698 30.492 29.762 0.053 0.000 1.461 498 H HN 0.312 nan 8.280 nan 0.000 0.525 499 P HA 0.002 nan 4.420 nan 0.000 0.249 499 P C -0.571 176.758 177.300 0.047 0.000 1.737 499 P CA -0.094 63.057 63.100 0.085 0.000 1.128 499 P CB -0.306 31.425 31.700 0.053 0.000 1.942 500 V N 3.201 123.153 119.914 0.064 0.000 2.530 500 V HA 0.163 4.266 4.120 -0.029 0.000 0.282 500 V C 1.045 177.143 176.094 0.007 0.000 1.048 500 V CA -0.311 62.009 62.300 0.033 0.000 0.997 500 V CB 0.601 32.452 31.823 0.046 0.000 0.987 500 V HN 0.406 nan 8.190 nan 0.000 0.477 501 N N 2.108 120.802 118.700 -0.010 0.000 2.823 501 N HA 0.673 5.396 4.740 -0.029 0.000 0.324 501 N C 0.344 175.842 175.510 -0.021 0.000 1.336 501 N CA -0.027 53.007 53.050 -0.026 0.000 0.861 501 N CB 1.493 39.956 38.487 -0.040 0.000 1.157 501 N HN 1.017 nan 8.380 nan 0.000 0.585 502 G N 0.935 109.716 108.800 -0.032 0.000 2.599 502 G HA2 -0.127 3.816 3.960 -0.029 0.000 0.440 502 G HA3 -0.127 3.816 3.960 -0.029 0.000 0.440 502 G C 0.328 175.220 174.900 -0.014 0.000 1.018 502 G CA -0.357 44.735 45.100 -0.013 0.000 1.311 502 G HN 0.418 nan 8.290 nan 0.000 0.604 503 L N 1.531 122.726 121.223 -0.048 0.000 1.978 503 L HA -0.166 4.157 4.340 -0.029 0.000 0.218 503 L C 2.610 179.523 176.870 0.072 0.000 1.075 503 L CA 3.142 57.940 54.840 -0.069 0.000 0.767 503 L CB -0.478 41.470 42.059 -0.185 0.000 0.890 503 L HN 0.709 nan 8.230 nan 0.000 0.434 504 N N -0.774 117.962 118.700 0.061 0.000 2.021 504 N HA -0.286 4.436 4.740 -0.029 0.000 0.198 504 N C 1.788 177.339 175.510 0.069 0.000 1.041 504 N CA 2.108 55.206 53.050 0.080 0.000 0.862 504 N CB -0.180 38.342 38.487 0.059 0.000 1.048 504 N HN 0.423 nan 8.380 nan 0.000 0.427 505 K N 0.972 121.402 120.400 0.050 0.000 2.103 505 K HA -0.171 4.131 4.320 -0.029 0.000 0.207 505 K C 2.112 178.736 176.600 0.040 0.000 1.048 505 K CA 1.166 57.477 56.287 0.041 0.000 0.930 505 K CB -0.118 32.401 32.500 0.032 0.000 0.716 505 K HN 0.298 nan 8.250 nan 0.000 0.444 506 Q N 0.062 119.891 119.800 0.048 0.000 2.167 506 Q HA -0.115 4.207 4.340 -0.029 0.000 0.202 506 Q C 2.081 178.090 176.000 0.015 0.000 0.970 506 Q CA 1.147 56.974 55.803 0.040 0.000 0.855 506 Q CB 0.061 28.835 28.738 0.060 0.000 0.911 506 Q HN 0.190 nan 8.270 nan 0.000 0.438 507 R N -0.581 119.942 120.500 0.039 0.000 2.153 507 R HA -0.040 4.283 4.340 -0.029 0.000 0.218 507 R C 1.901 178.184 176.300 -0.029 0.000 1.072 507 R CA 1.197 57.235 56.100 -0.104 0.000 0.990 507 R CB 0.148 30.376 30.300 -0.121 0.000 0.889 507 R HN 0.159 nan 8.270 nan 0.000 0.452 508 T N 0.716 115.281 114.554 0.017 0.000 2.708 508 T HA -0.149 4.184 4.350 -0.029 0.000 0.266 508 T C 1.774 176.500 174.700 0.043 0.000 1.037 508 T CA 1.398 63.517 62.100 0.032 0.000 1.146 508 T CB -0.268 68.625 68.868 0.042 0.000 0.865 508 T HN 0.416 nan 8.240 nan 0.000 0.435 509 A N 1.728 124.582 122.820 0.057 0.000 1.884 509 A HA -0.114 4.189 4.320 -0.029 0.000 0.219 509 A C 2.316 179.964 177.584 0.106 0.000 1.197 509 A CA 1.408 53.510 52.037 0.108 0.000 0.637 509 A CB -0.967 18.107 19.000 0.123 0.000 0.827 509 A HN 0.409 nan 8.150 nan 0.000 0.450 510 L N -0.763 120.487 121.223 0.045 0.000 2.017 510 L HA -0.180 4.142 4.340 -0.029 0.000 0.208 510 L C 2.680 179.528 176.870 -0.037 0.000 1.073 510 L CA 2.201 57.033 54.840 -0.012 0.000 0.745 510 L CB -1.125 40.977 42.059 0.072 0.000 0.894 510 L HN 0.634 nan 8.230 nan 0.000 0.432 511 E N 0.167 120.357 120.200 -0.015 0.000 2.058 511 E HA -0.250 4.082 4.350 -0.029 0.000 0.194 511 E C 1.811 178.362 176.600 -0.082 0.000 0.997 511 E CA 1.346 57.703 56.400 -0.072 0.000 0.801 511 E CB 0.137 29.831 29.700 -0.011 0.000 0.746 511 E HN 0.444 nan 8.360 nan 0.000 0.450 512 N N -0.061 118.628 118.700 -0.018 0.000 2.244 512 N HA -0.130 4.593 4.740 -0.029 0.000 0.183 512 N C 1.560 177.046 175.510 -0.040 0.000 1.016 512 N CA 0.709 53.753 53.050 -0.010 0.000 0.866 512 N CB -0.460 38.056 38.487 0.048 0.000 0.980 512 N HN 0.213 nan 8.380 nan 0.000 0.430 513 F N 0.978 120.792 119.950 -0.226 0.000 2.113 513 F HA -0.114 4.396 4.527 -0.028 0.000 0.297 513 F C 1.854 177.449 175.800 -0.342 0.000 1.103 513 F CA 0.674 58.462 58.000 -0.354 0.000 1.248 513 F CB -0.050 38.644 39.000 -0.510 0.000 0.999 513 F HN -0.102 nan 8.300 nan 0.000 0.475 514 L N 0.986 122.100 121.223 -0.181 0.000 2.013 514 L HA -0.233 4.090 4.340 -0.029 0.000 0.212 514 L C 2.490 179.190 176.870 -0.283 0.000 1.073 514 L CA 1.672 56.321 54.840 -0.319 0.000 0.753 514 L CB -1.433 40.371 42.059 -0.425 0.000 0.890 514 L HN 0.157 nan 8.230 nan 0.000 0.432 515 R N -0.611 119.757 120.500 -0.220 0.000 2.083 515 R HA -0.206 4.116 4.340 -0.029 0.000 0.237 515 R C 2.181 178.386 176.300 -0.157 0.000 1.137 515 R CA 1.794 57.799 56.100 -0.160 0.000 0.951 515 R CB -0.549 29.685 30.300 -0.109 0.000 0.851 515 R HN 0.400 nan 8.270 nan 0.000 0.434 516 L N -0.634 120.444 121.223 -0.240 0.000 1.994 516 L HA -0.113 4.210 4.340 -0.029 0.000 0.208 516 L C 1.976 178.717 176.870 -0.215 0.000 1.071 516 L CA 1.549 56.232 54.840 -0.262 0.000 0.745 516 L CB -1.141 40.528 42.059 -0.650 0.000 0.892 516 L HN -0.038 nan 8.230 nan 0.000 0.431 517 L N 0.687 121.682 121.223 -0.379 0.000 2.151 517 L HA -0.183 4.140 4.340 -0.029 0.000 0.215 517 L C 2.126 178.921 176.870 -0.125 0.000 1.084 517 L CA 1.989 56.656 54.840 -0.288 0.000 0.764 517 L CB -1.053 40.781 42.059 -0.375 0.000 0.891 517 L HN 0.710 nan 8.230 nan 0.000 0.435 518 I N -3.905 116.603 120.570 -0.103 0.000 3.856 518 I HA 0.467 4.620 4.170 -0.029 0.000 0.333 518 I C 1.100 177.209 176.117 -0.013 0.000 1.525 518 I CA 0.072 61.348 61.300 -0.040 0.000 1.173 518 I CB -0.475 37.510 38.000 -0.025 0.000 1.175 518 I HN 0.174 nan 8.210 nan 0.000 0.424 519 G N 2.208 111.008 108.800 0.001 0.000 2.350 519 G HA2 -0.227 3.715 3.960 -0.029 0.000 0.298 519 G HA3 -0.227 3.715 3.960 -0.029 0.000 0.298 519 G C -0.666 174.261 174.900 0.045 0.000 1.037 519 G CA 0.036 45.166 45.100 0.049 0.000 1.074 519 G HN 0.362 nan 8.290 nan 0.000 0.511 520 L N 1.547 122.786 121.223 0.028 0.000 2.381 520 L HA 0.655 4.978 4.340 -0.029 0.000 0.274 520 L C -1.640 175.261 176.870 0.051 0.000 0.988 520 L CA -2.482 52.370 54.840 0.020 0.000 0.824 520 L CB 2.079 44.127 42.059 -0.019 0.000 1.263 520 L HN 0.077 nan 8.230 nan 0.000 0.410 521 P HA 0.139 nan 4.420 nan 0.000 0.274 521 P C -0.428 176.919 177.300 0.079 0.000 1.246 521 P CA -0.374 62.798 63.100 0.120 0.000 0.795 521 P CB 0.784 32.537 31.700 0.088 0.000 1.006 522 S N 0.628 116.396 115.700 0.114 0.000 2.563 522 S HA -0.005 4.448 4.470 -0.029 0.000 0.284 522 S C 0.349 174.966 174.600 0.029 0.000 1.331 522 S CA -0.157 58.087 58.200 0.074 0.000 1.047 522 S CB -0.265 63.005 63.200 0.117 0.000 0.859 522 S HN 0.428 nan 8.310 nan 0.000 0.514 523 Q N 1.466 121.270 119.800 0.007 0.000 2.394 523 Q HA 0.192 4.515 4.340 -0.029 0.000 0.248 523 Q C 0.636 176.623 176.000 -0.021 0.000 0.992 523 Q CA 0.243 56.035 55.803 -0.018 0.000 0.888 523 Q CB 0.515 29.236 28.738 -0.029 0.000 1.257 523 Q HN 0.969 nan 8.270 nan 0.000 0.462 524 N N -0.122 118.548 118.700 -0.051 0.000 2.211 524 N HA -0.005 4.718 4.740 -0.029 0.000 0.216 524 N C -0.663 174.794 175.510 -0.088 0.000 1.240 524 N CA 0.001 53.011 53.050 -0.067 0.000 0.895 524 N CB 0.697 39.128 38.487 -0.094 0.000 1.102 524 N HN 0.469 nan 8.380 nan 0.000 0.498 525 E N -0.497 119.647 120.200 -0.093 0.000 3.673 525 E HA -0.178 4.155 4.350 -0.029 0.000 0.309 525 E C -0.688 175.839 176.600 -0.122 0.000 0.819 525 E CA 0.492 56.843 56.400 -0.082 0.000 1.111 525 E CB -2.134 27.542 29.700 -0.039 0.000 1.561 525 E HN 0.528 nan 8.360 nan 0.000 0.450 526 L N 0.912 121.992 121.223 -0.239 0.000 2.426 526 L HA 0.219 4.542 4.340 -0.029 0.000 0.271 526 L C 1.257 177.952 176.870 -0.291 0.000 1.169 526 L CA 0.370 54.983 54.840 -0.378 0.000 0.836 526 L CB 0.423 41.906 42.059 -0.961 0.000 1.112 526 L HN -0.138 nan 8.230 nan 0.000 0.465 527 R N 3.299 123.744 120.500 -0.092 0.000 2.724 527 R HA 0.244 4.567 4.340 -0.029 0.000 0.284 527 R C 0.598 176.965 176.300 0.112 0.000 1.481 527 R CA -0.209 55.871 56.100 -0.033 0.000 1.652 527 R CB 0.289 30.595 30.300 0.010 0.000 1.175 527 R HN 0.668 nan 8.270 nan 0.000 0.613 528 F N 1.669 121.624 119.950 0.008 0.000 2.192 528 F HA -0.263 4.247 4.527 -0.029 0.000 0.301 528 F C 2.337 178.141 175.800 0.007 0.000 1.079 528 F CA 0.594 58.598 58.000 0.007 0.000 1.303 528 F CB 0.232 39.236 39.000 0.007 0.000 1.024 528 F HN 0.375 nan 8.300 nan 0.000 0.494 529 E N 0.860 121.173 120.200 0.188 0.000 2.333 529 E HA -0.246 4.087 4.350 -0.029 0.000 0.198 529 E C 1.522 178.173 176.600 0.085 0.000 1.007 529 E CA 1.240 57.704 56.400 0.107 0.000 0.845 529 E CB -0.588 29.154 29.700 0.070 0.000 0.766 529 E HN 0.617 nan 8.360 nan 0.000 0.507 530 E N 0.902 121.161 120.200 0.098 0.000 2.256 530 E HA 0.040 4.373 4.350 -0.029 0.000 0.198 530 E C 2.093 178.742 176.600 0.081 0.000 0.908 530 E CA -0.183 56.261 56.400 0.073 0.000 0.915 530 E CB 0.304 30.041 29.700 0.060 0.000 0.890 530 E HN 0.106 nan 8.360 nan 0.000 0.484 531 R N -0.033 120.543 120.500 0.128 0.000 2.090 531 R HA 0.025 4.348 4.340 -0.029 0.000 0.228 531 R C 0.244 176.579 176.300 0.059 0.000 1.110 531 R CA 0.412 56.584 56.100 0.120 0.000 0.973 531 R CB 0.078 30.510 30.300 0.219 0.000 0.869 531 R HN 0.051 nan 8.270 nan 0.000 0.440 532 L N 1.100 122.348 121.223 0.042 0.000 2.325 532 L HA 0.258 4.581 4.340 -0.029 0.000 0.279 532 L C 0.464 177.326 176.870 -0.014 0.000 1.054 532 L CA -0.326 54.485 54.840 -0.049 0.000 0.804 532 L CB 0.986 42.947 42.059 -0.163 0.000 1.200 532 L HN 0.018 nan 8.230 nan 0.000 0.436 533 L N 0.000 121.206 121.223 -0.028 0.000 2.949 533 L HA 0.000 4.323 4.340 -0.029 0.000 0.249 533 L CA 0.000 54.833 54.840 -0.013 0.000 0.813 533 L CB 0.000 42.048 42.059 -0.018 0.000 0.961 533 L HN 0.000 nan 8.230 nan 0.000 0.502