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 1e18_1_A DATA FIRST_RESID 3 DATA SEQUENCE LANGTVMSGS HWGVFTATVE NGRATAFTPW EKDPHPSPML AGVLDSIYSP DATA SEQUENCE TRIKYPMVRR EFLEKGVNAD RSTRGNGDFV RVSWDQALDL VAAEVKRVEE DATA SEQUENCE TYGPQGVFGG SYGWKSPGRL HNCTTLLRRM LTLAGGYVNG AGDYSTGAAQ DATA SEQUENCE VIMPHVVGTL EVYEQQTAWP VLAENTEVMV FWAADPIKTS QIGWVIPEHG DATA SEQUENCE AYPGLEALKA KGTKVIVIDP VRTKTVEFFG AEHITPKPQT DVAIMLGMAH DATA SEQUENCE TLVAEDLYDK DFIANYTSGF DKFLPYLDGE TDSTPKTAEW AEGISGVPAE DATA SEQUENCE TIKELARLFE SKRTMLAAGW SMQRMHHGEQ AHWMLVTLAS MLGQIGLPGG DATA SEQUENCE GFGLSYHYSG GGTPSTSGPA LAGITDGGAA TKGPEWLAAS GASVIPVARV DATA SEQUENCE VDMLENPGAE FDFNGTRSKF PDVKMAYWVG GNPFVHHQDR NRMVKAWEKL DATA SEQUENCE ETFVVHDFQW TPTARHADIV LPATTSYERN DIETIGDYSN TGILAMKKIV DATA SEQUENCE EPLYEARSDY DIFAAVAERL GKGKEFTEGK DEMGWIKSFY DDAAKQGKAA DATA SEQUENCE GVEMPAFDAF WAEGIVEFPV TDGADFVRYA SFREDPLLNP LGTPTGLIEI DATA SEQUENCE YSKNIEKMGY DDCPAHPTWM EPLERLDGPG AKYPLHIAAS HPFNRLHSQL DATA SEQUENCE NGTVLREGYA VQGHEPCLMH PDDAAARGIA DGDVVRVHND RGQILTGVKV DATA SEQUENCE TDAVMKGVIQ IYEGGWYDPS DVTEPGTLDK YGDVNVLSAD IGTSKLAQGN DATA SEQUENCE CGQTVLAEVE KYTGPAVTLT GFVAPKAAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.873 176.870 0.005 0.000 1.165 3 L CA 0.000 54.842 54.840 0.004 0.000 0.813 3 L CB 0.000 42.060 42.059 0.001 0.000 0.961 4 A N 2.312 125.137 122.820 0.009 0.000 2.462 4 A HA 0.527 4.845 4.320 -0.003 0.000 0.243 4 A C -0.451 177.139 177.584 0.009 0.000 1.076 4 A CA 0.012 52.055 52.037 0.010 0.000 0.773 4 A CB 0.029 19.039 19.000 0.016 0.000 1.010 4 A HN 0.658 nan 8.150 nan 0.000 0.493 5 N N 0.474 119.178 118.700 0.006 0.000 2.296 5 N HA 0.706 5.444 4.740 -0.003 0.000 0.294 5 N C -0.007 175.505 175.510 0.004 0.000 1.033 5 N CA 0.580 53.633 53.050 0.005 0.000 0.839 5 N CB 2.211 40.699 38.487 0.000 0.000 1.395 5 N HN 1.173 nan 8.380 nan 0.000 0.479 6 G N -0.113 108.692 108.800 0.007 0.000 2.352 6 G HA2 0.212 4.170 3.960 -0.003 0.000 0.283 6 G HA3 0.212 4.170 3.960 -0.003 0.000 0.283 6 G C -1.496 173.407 174.900 0.005 0.000 1.308 6 G CA -0.585 44.516 45.100 0.001 0.000 0.892 6 G HN 0.569 nan 8.290 nan 0.000 0.504 7 T N -2.640 111.909 114.554 -0.008 0.000 2.893 7 T HA 0.804 5.152 4.350 -0.003 0.000 0.291 7 T C -0.941 173.732 174.700 -0.044 0.000 1.028 7 T CA -0.729 61.364 62.100 -0.012 0.000 0.995 7 T CB 2.037 70.897 68.868 -0.013 0.000 1.051 7 T HN 1.450 nan 8.240 nan 0.000 0.470 8 V N 2.911 122.789 119.914 -0.061 0.000 2.808 8 V HA 0.555 4.673 4.120 -0.003 0.000 0.308 8 V C -0.496 175.471 176.094 -0.211 0.000 1.099 8 V CA -0.990 61.235 62.300 -0.125 0.000 0.920 8 V CB 2.101 33.867 31.823 -0.095 0.000 1.014 8 V HN 1.126 nan 8.190 nan 0.000 0.425 9 M N 3.208 122.621 119.600 -0.310 0.000 2.264 9 M HA 0.751 5.229 4.480 -0.003 0.000 0.352 9 M C -0.205 175.744 176.300 -0.586 0.000 1.173 9 M CA 0.531 55.560 55.300 -0.451 0.000 1.075 9 M CB 1.532 33.880 32.600 -0.421 0.000 1.621 9 M HN 0.840 nan 8.290 nan 0.000 0.457 10 S N 2.195 117.363 115.700 -0.887 0.000 2.843 10 S HA 0.983 5.451 4.470 -0.003 0.000 0.301 10 S C -0.923 173.067 174.600 -1.016 0.000 1.206 10 S CA -0.232 57.473 58.200 -0.826 0.000 0.875 10 S CB 1.752 64.602 63.200 -0.583 0.000 1.248 10 S HN 0.996 nan 8.310 nan 0.000 0.555 11 G N 0.283 108.754 108.800 -0.549 0.000 2.645 11 G HA2 0.697 4.655 3.960 -0.003 0.000 0.292 11 G HA3 0.697 4.655 3.960 -0.003 0.000 0.292 11 G C -1.054 173.973 174.900 0.212 0.000 1.415 11 G CA 0.228 45.202 45.100 -0.209 0.000 0.785 11 G HN 1.537 nan 8.290 nan 0.000 0.483 12 S N -2.221 113.666 115.700 0.312 0.000 2.703 12 S HA 0.394 4.862 4.470 -0.003 0.000 0.273 12 S C 0.265 175.027 174.600 0.271 0.000 1.178 12 S CA -0.558 57.887 58.200 0.408 0.000 0.838 12 S CB 1.084 64.776 63.200 0.819 0.000 1.178 12 S HN 0.559 nan 8.310 nan 0.000 0.494 13 H N -0.151 119.058 119.070 0.232 0.000 2.518 13 H HA 0.024 4.577 4.556 -0.003 0.000 0.289 13 H C 0.557 175.837 175.328 -0.080 0.000 1.051 13 H CA 1.599 57.607 56.048 -0.067 0.000 1.280 13 H CB 0.032 29.541 29.762 -0.423 0.000 1.380 13 H HN 0.587 nan 8.280 nan 0.000 0.566 14 W N 0.583 122.088 121.300 0.341 0.000 3.211 14 W HA 0.346 5.004 4.660 -0.004 0.000 0.292 14 W C 0.627 177.336 176.519 0.316 0.000 1.268 14 W CA 0.786 58.318 57.345 0.311 0.000 1.702 14 W CB 1.013 30.629 29.460 0.260 0.000 1.092 14 W HN 0.188 nan 8.180 nan 0.000 0.643 15 G N -0.082 108.983 108.800 0.442 0.000 2.359 15 G HA2 0.059 4.017 3.960 -0.003 0.000 0.303 15 G HA3 0.059 4.017 3.960 -0.003 0.000 0.303 15 G C -1.541 173.528 174.900 0.282 0.000 1.293 15 G CA -1.193 44.089 45.100 0.304 0.000 0.964 15 G HN -0.229 nan 8.290 nan 0.000 0.531 16 V N 0.662 120.673 119.914 0.162 0.000 2.686 16 V HA 0.796 4.914 4.120 -0.003 0.000 0.295 16 V C 0.306 176.455 176.094 0.093 0.000 1.057 16 V CA 0.502 62.744 62.300 -0.098 0.000 1.012 16 V CB 0.429 31.954 31.823 -0.496 0.000 1.006 16 V HN 1.283 nan 8.190 nan 0.000 0.477 17 F N 0.587 120.453 119.950 -0.141 0.000 2.745 17 F HA 0.759 5.284 4.527 -0.003 0.000 0.316 17 F C -0.608 175.074 175.800 -0.198 0.000 1.155 17 F CA -0.912 57.021 58.000 -0.112 0.000 0.937 17 F CB 1.685 40.585 39.000 -0.167 0.000 1.361 17 F HN 0.236 nan 8.300 nan 0.000 0.472 18 T N 1.649 116.269 114.554 0.109 0.000 2.792 18 T HA 0.759 5.106 4.350 -0.003 0.000 0.280 18 T C -0.468 174.320 174.700 0.148 0.000 0.990 18 T CA -0.417 61.683 62.100 -0.001 0.000 0.960 18 T CB 1.304 70.181 68.868 0.015 0.000 0.939 18 T HN 0.925 nan 8.240 nan 0.000 0.439 19 A N 2.890 125.764 122.820 0.090 0.000 2.306 19 A HA 0.702 5.020 4.320 -0.003 0.000 0.314 19 A C 0.372 178.042 177.584 0.143 0.000 1.164 19 A CA -0.594 51.569 52.037 0.209 0.000 0.822 19 A CB 0.478 19.612 19.000 0.224 0.000 1.130 19 A HN 0.691 nan 8.150 nan 0.000 0.496 20 T N 1.763 116.414 114.554 0.161 0.000 2.799 20 T HA 0.494 4.842 4.350 -0.003 0.000 0.286 20 T C -0.348 174.405 174.700 0.089 0.000 0.973 20 T CA -0.145 62.009 62.100 0.090 0.000 1.035 20 T CB 0.862 69.768 68.868 0.063 0.000 0.932 20 T HN 0.410 nan 8.240 nan 0.000 0.469 21 V N 4.196 124.146 119.914 0.062 0.000 2.495 21 V HA 0.453 4.571 4.120 -0.003 0.000 0.298 21 V C -0.188 175.922 176.094 0.027 0.000 1.031 21 V CA -0.776 61.559 62.300 0.057 0.000 0.871 21 V CB 1.753 33.611 31.823 0.057 0.000 0.988 21 V HN 0.867 nan 8.190 nan 0.000 0.432 22 E N 4.155 124.364 120.200 0.014 0.000 2.244 22 E HA 0.398 4.746 4.350 -0.003 0.000 0.260 22 E C -0.572 176.023 176.600 -0.009 0.000 0.884 22 E CA -0.706 55.692 56.400 -0.003 0.000 0.777 22 E CB 1.191 30.881 29.700 -0.016 0.000 1.197 22 E HN 0.680 nan 8.360 nan 0.000 0.416 23 N N 2.252 120.948 118.700 -0.006 0.000 2.725 23 N HA -0.237 4.501 4.740 -0.003 0.000 0.251 23 N C 0.640 176.149 175.510 -0.001 0.000 1.031 23 N CA 1.316 54.362 53.050 -0.007 0.000 0.720 23 N CB -0.963 37.514 38.487 -0.017 0.000 0.930 23 N HN 1.083 nan 8.380 nan 0.000 0.543 24 G N -0.557 108.251 108.800 0.013 0.000 2.162 24 G HA2 -0.360 3.598 3.960 -0.003 0.000 0.260 24 G HA3 -0.360 3.598 3.960 -0.003 0.000 0.260 24 G C 0.023 174.953 174.900 0.049 0.000 0.976 24 G CA 0.763 45.880 45.100 0.027 0.000 0.655 24 G HN 0.754 nan 8.290 nan 0.000 0.533 25 R N 0.104 120.626 120.500 0.037 0.000 2.621 25 R HA 0.712 5.050 4.340 -0.003 0.000 0.292 25 R C 0.301 176.648 176.300 0.077 0.000 0.969 25 R CA -0.113 56.020 56.100 0.055 0.000 0.887 25 R CB 1.209 31.451 30.300 -0.097 0.000 1.180 25 R HN 0.690 nan 8.270 nan 0.000 0.450 26 A N 2.105 125.043 122.820 0.197 0.000 2.450 26 A HA 0.222 4.540 4.320 -0.003 0.000 0.255 26 A C 0.798 178.414 177.584 0.053 0.000 1.096 26 A CA 0.113 52.258 52.037 0.181 0.000 0.778 26 A CB 0.438 19.616 19.000 0.295 0.000 1.031 26 A HN 0.924 nan 8.150 nan 0.000 0.494 27 T N -1.262 113.304 114.554 0.021 0.000 3.004 27 T HA 0.592 4.940 4.350 -0.003 0.000 0.266 27 T C 0.264 174.928 174.700 -0.059 0.000 0.986 27 T CA 0.611 62.679 62.100 -0.053 0.000 0.902 27 T CB 0.070 68.909 68.868 -0.049 0.000 1.118 27 T HN 1.839 nan 8.240 nan 0.000 0.522 28 A N 0.861 123.680 122.820 -0.001 0.000 2.589 28 A HA 0.664 4.982 4.320 -0.003 0.000 0.296 28 A C -2.045 175.661 177.584 0.203 0.000 1.062 28 A CA -0.736 51.304 52.037 0.007 0.000 0.686 28 A CB 1.042 20.057 19.000 0.026 0.000 1.282 28 A HN 0.156 nan 8.150 nan 0.000 0.404 29 F N 1.336 121.211 119.950 -0.125 0.000 2.427 29 F HA 0.593 5.118 4.527 -0.003 0.000 0.348 29 F C 0.383 176.150 175.800 -0.056 0.000 1.125 29 F CA -0.773 57.133 58.000 -0.157 0.000 0.989 29 F CB 2.058 40.738 39.000 -0.535 0.000 1.165 29 F HN 0.444 nan 8.300 nan 0.000 0.442 30 T N 5.741 120.425 114.554 0.218 0.000 2.794 30 T HA 0.426 4.774 4.350 -0.003 0.000 0.280 30 T C -2.522 172.297 174.700 0.198 0.000 0.987 30 T CA -1.558 60.633 62.100 0.152 0.000 0.993 30 T CB 1.729 70.665 68.868 0.112 0.000 0.939 30 T HN 0.113 nan 8.240 nan 0.000 0.449 31 P HA 0.021 nan 4.420 nan 0.000 0.268 31 P C -0.442 177.015 177.300 0.261 0.000 1.208 31 P CA -0.636 62.600 63.100 0.227 0.000 0.777 31 P CB 0.450 32.242 31.700 0.153 0.000 0.875 32 W N 3.873 125.220 121.300 0.077 0.000 2.223 32 W HA 0.013 4.671 4.660 -0.003 0.000 0.334 32 W C 1.552 178.085 176.519 0.024 0.000 1.334 32 W CA -0.414 56.947 57.345 0.027 0.000 1.246 32 W CB -0.098 29.373 29.460 0.018 0.000 1.184 32 W HN 0.631 nan 8.180 nan 0.000 0.563 33 E N 3.041 123.250 120.200 0.015 0.000 2.204 33 E HA -0.229 4.119 4.350 -0.003 0.000 0.195 33 E C 0.956 177.320 176.600 -0.394 0.000 0.990 33 E CA 1.455 57.763 56.400 -0.152 0.000 0.821 33 E CB -0.113 29.532 29.700 -0.093 0.000 0.750 33 E HN 0.560 nan 8.360 nan 0.000 0.477 34 K N 0.873 120.709 120.400 -0.941 0.000 2.444 34 K HA 0.038 4.356 4.320 -0.003 0.000 0.193 34 K C 0.126 176.316 176.600 -0.683 0.000 1.024 34 K CA 0.006 55.734 56.287 -0.932 0.000 1.077 34 K CB 0.230 31.866 32.500 -1.440 0.000 0.833 34 K HN 0.078 nan 8.250 nan 0.000 0.517 35 D N 1.871 122.046 120.400 -0.375 0.000 2.343 35 D HA 0.023 4.661 4.640 -0.003 0.000 0.255 35 D C -1.443 174.858 176.300 0.001 0.000 1.187 35 D CA -2.036 51.964 54.000 -0.000 0.000 0.875 35 D CB 1.444 42.405 40.800 0.267 0.000 1.136 35 D HN -0.037 nan 8.370 nan 0.000 0.469 36 P HA -0.063 nan 4.420 nan 0.000 0.229 36 P C -0.191 177.130 177.300 0.036 0.000 1.160 36 P CA 0.748 63.871 63.100 0.038 0.000 0.777 36 P CB 0.252 32.002 31.700 0.083 0.000 0.814 37 H N -1.392 117.608 119.070 -0.117 0.000 2.826 37 H HA 0.330 4.884 4.556 -0.004 0.000 0.255 37 H C -2.825 172.184 175.328 -0.531 0.000 1.427 37 H CA -1.563 54.245 56.048 -0.400 0.000 1.521 37 H CB 0.504 29.811 29.762 -0.758 0.000 1.934 37 H HN -0.136 nan 8.280 nan 0.000 0.644 38 P HA -0.011 nan 4.420 nan 0.000 0.268 38 P C -0.285 176.900 177.300 -0.191 0.000 1.208 38 P CA 0.029 63.054 63.100 -0.125 0.000 0.777 38 P CB 1.075 32.756 31.700 -0.033 0.000 0.875 39 S N 2.242 117.927 115.700 -0.025 0.000 2.537 39 S HA 0.333 4.801 4.470 -0.003 0.000 0.275 39 S C -1.575 173.054 174.600 0.049 0.000 1.272 39 S CA -1.590 56.635 58.200 0.042 0.000 1.050 39 S CB -0.028 63.317 63.200 0.242 0.000 0.961 39 S HN 0.221 nan 8.310 nan 0.000 0.496 40 P HA 0.024 nan 4.420 nan 0.000 0.228 40 P C 1.003 178.311 177.300 0.014 0.000 1.151 40 P CA 0.977 64.095 63.100 0.030 0.000 0.770 40 P CB 0.042 31.784 31.700 0.071 0.000 0.786 41 M N -1.626 117.992 119.600 0.029 0.000 2.557 41 M HA -0.034 4.444 4.480 -0.003 0.000 0.259 41 M C 1.800 177.923 176.300 -0.296 0.000 1.086 41 M CA 0.886 56.128 55.300 -0.097 0.000 1.096 41 M CB -0.585 31.984 32.600 -0.052 0.000 1.424 41 M HN -0.024 nan 8.290 nan 0.000 0.488 42 L N 0.078 121.184 121.223 -0.194 0.000 2.081 42 L HA -0.247 4.091 4.340 -0.003 0.000 0.212 42 L C 2.717 179.413 176.870 -0.290 0.000 1.080 42 L CA 1.387 56.088 54.840 -0.231 0.000 0.754 42 L CB -0.655 41.363 42.059 -0.068 0.000 0.893 42 L HN 0.342 nan 8.230 nan 0.000 0.433 43 A N -0.242 122.440 122.820 -0.230 0.000 2.019 43 A HA -0.121 4.197 4.320 -0.003 0.000 0.219 43 A C 2.304 179.699 177.584 -0.316 0.000 1.164 43 A CA 1.580 53.455 52.037 -0.269 0.000 0.644 43 A CB -0.922 17.972 19.000 -0.176 0.000 0.805 43 A HN 0.481 nan 8.150 nan 0.000 0.449 44 G N -0.729 107.896 108.800 -0.292 0.000 2.448 44 G HA2 0.011 3.969 3.960 -0.003 0.000 0.218 44 G HA3 0.011 3.969 3.960 -0.003 0.000 0.218 44 G C 1.414 176.115 174.900 -0.331 0.000 1.135 44 G CA 1.025 45.964 45.100 -0.267 0.000 0.784 44 G HN 0.302 nan 8.290 nan 0.000 0.543 45 V N 0.995 120.619 119.914 -0.483 0.000 2.295 45 V HA -0.155 3.963 4.120 -0.003 0.000 0.246 45 V C 2.650 178.472 176.094 -0.453 0.000 1.049 45 V CA 1.646 63.672 62.300 -0.456 0.000 1.024 45 V CB -0.572 30.941 31.823 -0.516 0.000 0.648 45 V HN 0.383 nan 8.190 nan 0.000 0.447 46 L N 0.995 121.725 121.223 -0.821 0.000 2.017 46 L HA -0.194 4.144 4.340 -0.003 0.000 0.208 46 L C 2.055 178.666 176.870 -0.431 0.000 1.073 46 L CA 2.569 56.760 54.840 -1.081 0.000 0.745 46 L CB -0.998 40.228 42.059 -1.388 0.000 0.894 46 L HN 0.407 nan 8.230 nan 0.000 0.432 47 D N -1.136 119.085 120.400 -0.297 0.000 2.218 47 D HA -0.181 4.457 4.640 -0.003 0.000 0.204 47 D C 2.293 178.574 176.300 -0.032 0.000 0.976 47 D CA 1.144 55.079 54.000 -0.108 0.000 0.853 47 D CB -0.023 40.703 40.800 -0.123 0.000 0.939 47 D HN 0.600 nan 8.370 nan 0.000 0.481 48 S N -0.615 115.059 115.700 -0.042 0.000 2.447 48 S HA -0.118 4.350 4.470 -0.003 0.000 0.233 48 S C 2.091 176.739 174.600 0.080 0.000 1.006 48 S CA 0.448 58.706 58.200 0.097 0.000 0.957 48 S CB -0.635 62.687 63.200 0.204 0.000 0.773 48 S HN 0.378 nan 8.310 nan 0.000 0.507 49 I N -0.670 119.834 120.570 -0.110 0.000 2.394 49 I HA -0.095 4.073 4.170 -0.003 0.000 0.251 49 I C 1.442 177.331 176.117 -0.381 0.000 1.136 49 I CA 1.273 62.368 61.300 -0.341 0.000 1.425 49 I CB -0.195 37.412 38.000 -0.656 0.000 1.079 49 I HN 0.310 nan 8.210 nan 0.000 0.425 50 Y N -0.275 120.049 120.300 0.041 0.000 2.527 50 Y HA 0.208 4.756 4.550 -0.003 0.000 0.247 50 Y C 1.582 177.536 175.900 0.089 0.000 1.138 50 Y CA -0.633 57.506 58.100 0.064 0.000 1.228 50 Y CB -0.123 38.337 38.460 -0.001 0.000 1.252 50 Y HN -0.025 nan 8.280 nan 0.000 0.531 51 S N 0.874 116.697 115.700 0.205 0.000 2.596 51 S HA 0.073 4.541 4.470 -0.003 0.000 0.260 51 S C -1.537 173.172 174.600 0.182 0.000 1.336 51 S CA -0.898 57.399 58.200 0.161 0.000 0.993 51 S CB 1.016 64.287 63.200 0.117 0.000 0.923 51 S HN -0.041 nan 8.310 nan 0.000 0.567 52 P HA -0.080 nan 4.420 nan 0.000 0.217 52 P C 1.146 178.566 177.300 0.199 0.000 1.148 52 P CA 1.628 64.815 63.100 0.144 0.000 0.828 52 P CB -0.471 31.296 31.700 0.111 0.000 0.783 53 T N -4.217 110.503 114.554 0.277 0.000 3.219 53 T HA 0.149 4.496 4.350 -0.003 0.000 0.249 53 T C 0.713 175.641 174.700 0.380 0.000 1.099 53 T CA -0.428 61.917 62.100 0.409 0.000 0.988 53 T CB -0.446 68.757 68.868 0.558 0.000 0.999 53 T HN -0.107 nan 8.240 nan 0.000 0.550 54 R N 1.939 122.599 120.500 0.266 0.000 2.570 54 R HA 0.269 4.607 4.340 -0.003 0.000 0.277 54 R C -0.333 176.001 176.300 0.056 0.000 1.039 54 R CA -0.482 55.733 56.100 0.191 0.000 1.065 54 R CB -0.376 30.058 30.300 0.224 0.000 0.964 54 R HN 0.403 nan 8.270 nan 0.000 0.428 55 I N 6.195 126.687 120.570 -0.130 0.000 2.352 55 I HA 0.055 4.223 4.170 -0.003 0.000 0.290 55 I C 1.017 176.970 176.117 -0.273 0.000 1.036 55 I CA -0.081 61.001 61.300 -0.363 0.000 1.336 55 I CB 1.300 38.867 38.000 -0.723 0.000 1.407 55 I HN 0.710 nan 8.210 nan 0.000 0.497 56 K N 5.122 125.261 120.400 -0.435 0.000 2.128 56 K HA 0.085 4.403 4.320 -0.003 0.000 0.202 56 K C -0.510 175.696 176.600 -0.657 0.000 1.050 56 K CA 1.008 56.805 56.287 -0.817 0.000 0.966 56 K CB 0.223 31.711 32.500 -1.686 0.000 0.759 56 K HN 0.386 nan 8.250 nan 0.000 0.454 57 Y N -0.186 120.045 120.300 -0.114 0.000 2.605 57 Y HA 0.321 4.869 4.550 -0.004 0.000 0.343 57 Y C -2.596 173.108 175.900 -0.326 0.000 1.036 57 Y CA -3.761 54.230 58.100 -0.181 0.000 1.065 57 Y CB 0.450 38.830 38.460 -0.132 0.000 1.288 57 Y HN -0.131 nan 8.280 nan 0.000 0.481 58 P HA 0.200 nan 4.420 nan 0.000 0.271 58 P C -0.748 176.393 177.300 -0.264 0.000 1.220 58 P CA 0.337 63.111 63.100 -0.542 0.000 0.768 58 P CB 0.485 31.619 31.700 -0.944 0.000 0.848 59 M N 2.182 121.653 119.600 -0.215 0.000 2.518 59 M HA 0.469 4.947 4.480 -0.003 0.000 0.300 59 M C -0.891 175.421 176.300 0.020 0.000 1.175 59 M CA -1.053 54.201 55.300 -0.077 0.000 0.890 59 M CB 2.211 34.743 32.600 -0.114 0.000 1.710 59 M HN -0.050 nan 8.290 nan 0.000 0.453 60 V N 1.362 121.378 119.914 0.170 0.000 2.656 60 V HA 0.483 4.601 4.120 -0.003 0.000 0.307 60 V C 0.065 176.375 176.094 0.360 0.000 1.051 60 V CA -0.910 61.532 62.300 0.237 0.000 0.893 60 V CB 2.286 34.220 31.823 0.184 0.000 0.999 60 V HN 0.860 nan 8.190 nan 0.000 0.426 61 R N 2.656 123.350 120.500 0.324 0.000 2.484 61 R HA 0.113 4.451 4.340 -0.003 0.000 0.293 61 R C 1.587 177.939 176.300 0.087 0.000 1.023 61 R CA 0.078 56.208 56.100 0.049 0.000 1.037 61 R CB 0.307 30.584 30.300 -0.038 0.000 0.951 61 R HN 0.734 nan 8.270 nan 0.000 0.418 62 R N 3.087 123.583 120.500 -0.007 0.000 2.096 62 R HA -0.240 4.098 4.340 -0.003 0.000 0.240 62 R C 0.992 177.310 176.300 0.030 0.000 1.139 62 R CA 2.412 58.523 56.100 0.017 0.000 0.952 62 R CB 0.051 30.337 30.300 -0.023 0.000 0.854 62 R HN 0.708 nan 8.270 nan 0.000 0.436 63 E N -0.317 119.894 120.200 0.017 0.000 2.085 63 E HA -0.205 4.143 4.350 -0.003 0.000 0.194 63 E C 1.546 178.194 176.600 0.081 0.000 0.994 63 E CA 1.576 57.997 56.400 0.035 0.000 0.801 63 E CB -0.334 29.385 29.700 0.031 0.000 0.743 63 E HN 0.369 nan 8.360 nan 0.000 0.453 64 F N 0.495 120.446 119.950 0.002 0.000 2.186 64 F HA -0.060 4.464 4.527 -0.004 0.000 0.299 64 F C 1.891 177.709 175.800 0.030 0.000 1.090 64 F CA 0.959 58.977 58.000 0.029 0.000 1.307 64 F CB -0.041 38.990 39.000 0.052 0.000 1.019 64 F HN -0.011 nan 8.300 nan 0.000 0.489 65 L N 0.033 121.338 121.223 0.136 0.000 2.042 65 L HA -0.236 4.102 4.340 -0.003 0.000 0.210 65 L C 2.192 179.028 176.870 -0.057 0.000 1.076 65 L CA 1.987 56.854 54.840 0.045 0.000 0.749 65 L CB -0.411 41.696 42.059 0.081 0.000 0.893 65 L HN 0.241 nan 8.230 nan 0.000 0.432 66 E N -0.715 119.460 120.200 -0.041 0.000 2.112 66 E HA -0.166 4.182 4.350 -0.003 0.000 0.190 66 E C 1.601 178.153 176.600 -0.080 0.000 0.979 66 E CA 0.861 57.232 56.400 -0.049 0.000 0.814 66 E CB 0.245 29.930 29.700 -0.025 0.000 0.762 66 E HN 0.379 nan 8.360 nan 0.000 0.460 67 K N -0.599 119.737 120.400 -0.107 0.000 2.402 67 K HA 0.170 4.488 4.320 -0.003 0.000 0.204 67 K C 0.736 177.222 176.600 -0.190 0.000 1.056 67 K CA 0.287 56.508 56.287 -0.111 0.000 1.069 67 K CB 1.568 34.036 32.500 -0.053 0.000 0.888 67 K HN 0.181 nan 8.250 nan 0.000 0.546 68 G N 1.315 109.869 108.800 -0.411 0.000 2.611 68 G HA2 -0.414 3.544 3.960 -0.003 0.000 0.301 68 G HA3 -0.414 3.544 3.960 -0.003 0.000 0.301 68 G C 0.975 175.719 174.900 -0.261 0.000 1.233 68 G CA 0.846 45.577 45.100 -0.614 0.000 0.993 68 G HN 0.297 nan 8.290 nan 0.000 0.553 69 V N -1.028 118.830 119.914 -0.092 0.000 3.078 69 V HA 0.058 4.176 4.120 -0.003 0.000 0.265 69 V C 1.836 177.953 176.094 0.037 0.000 1.122 69 V CA 2.560 64.887 62.300 0.046 0.000 1.141 69 V CB -0.362 31.506 31.823 0.075 0.000 0.735 69 V HN 0.576 nan 8.190 nan 0.000 0.498 70 N N 1.359 120.057 118.700 -0.003 0.000 2.336 70 N HA 0.333 5.071 4.740 -0.003 0.000 0.189 70 N C 0.835 176.354 175.510 0.016 0.000 1.113 70 N CA 0.754 53.809 53.050 0.008 0.000 0.858 70 N CB 0.487 38.969 38.487 -0.008 0.000 0.970 70 N HN 0.682 nan 8.380 nan 0.000 0.471 71 A N 0.921 123.758 122.820 0.028 0.000 2.466 71 A HA 0.011 4.328 4.320 -0.003 0.000 0.238 71 A C 0.291 177.912 177.584 0.061 0.000 1.074 71 A CA -0.173 51.894 52.037 0.049 0.000 0.774 71 A CB 0.213 19.279 19.000 0.110 0.000 1.015 71 A HN 0.103 nan 8.150 nan 0.000 0.498 72 D N 0.472 120.900 120.400 0.046 0.000 2.346 72 D HA 0.122 4.760 4.640 -0.003 0.000 0.260 72 D C 0.983 177.319 176.300 0.060 0.000 1.252 72 D CA 0.166 54.192 54.000 0.042 0.000 0.895 72 D CB 0.360 41.174 40.800 0.023 0.000 1.097 72 D HN 0.478 nan 8.370 nan 0.000 0.489 73 R N 1.765 122.310 120.500 0.076 0.000 2.297 73 R HA -0.008 4.330 4.340 -0.003 0.000 0.197 73 R C 1.869 178.228 176.300 0.098 0.000 0.943 73 R CA 0.475 56.636 56.100 0.102 0.000 1.038 73 R CB 0.153 30.523 30.300 0.116 0.000 0.957 73 R HN 0.453 nan 8.270 nan 0.000 0.484 74 S N -0.002 115.740 115.700 0.070 0.000 2.522 74 S HA -0.081 4.387 4.470 -0.003 0.000 0.227 74 S C 1.727 176.351 174.600 0.040 0.000 0.986 74 S CA 1.101 59.341 58.200 0.066 0.000 0.929 74 S CB -0.092 63.138 63.200 0.049 0.000 0.769 74 S HN 0.302 nan 8.310 nan 0.000 0.529 75 T N -1.015 113.545 114.554 0.010 0.000 3.086 75 T HA 0.308 4.655 4.350 -0.003 0.000 0.250 75 T C 0.600 175.242 174.700 -0.097 0.000 1.074 75 T CA -0.606 61.468 62.100 -0.044 0.000 0.988 75 T CB -0.329 68.503 68.868 -0.060 0.000 0.988 75 T HN 0.246 nan 8.240 nan 0.000 0.530 76 R N 1.020 121.497 120.500 -0.038 0.000 2.585 76 R HA 0.363 4.701 4.340 -0.003 0.000 0.275 76 R C 1.488 177.586 176.300 -0.337 0.000 1.018 76 R CA 1.248 57.291 56.100 -0.096 0.000 1.072 76 R CB -0.029 30.332 30.300 0.102 0.000 0.953 76 R HN 0.555 nan 8.270 nan 0.000 0.419 77 G N 2.287 110.749 108.800 -0.564 0.000 2.194 77 G HA2 -0.303 3.655 3.960 -0.003 0.000 0.236 77 G HA3 -0.303 3.655 3.960 -0.003 0.000 0.236 77 G C 0.573 175.197 174.900 -0.460 0.000 0.987 77 G CA 0.264 44.845 45.100 -0.864 0.000 0.635 77 G HN 0.729 nan 8.290 nan 0.000 0.520 78 N N 1.215 119.709 118.700 -0.344 0.000 2.521 78 N HA 0.348 5.086 4.740 -0.003 0.000 0.188 78 N C 1.753 177.104 175.510 -0.265 0.000 1.146 78 N CA 1.350 54.246 53.050 -0.257 0.000 0.893 78 N CB -0.402 37.968 38.487 -0.195 0.000 0.975 78 N HN 1.779 nan 8.380 nan 0.000 0.451 79 G N -0.114 108.479 108.800 -0.344 0.000 2.159 79 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.256 79 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.256 79 G C -0.435 174.292 174.900 -0.287 0.000 0.977 79 G CA 0.193 45.136 45.100 -0.261 0.000 0.652 79 G HN 0.576 nan 8.290 nan 0.000 0.531 80 D N 0.561 120.708 120.400 -0.422 0.000 2.558 80 D HA 0.498 5.136 4.640 -0.003 0.000 0.221 80 D C 0.058 176.148 176.300 -0.349 0.000 1.143 80 D CA -0.271 53.555 54.000 -0.291 0.000 1.010 80 D CB -0.609 40.063 40.800 -0.213 0.000 1.068 80 D HN 0.140 nan 8.370 nan 0.000 0.511 81 F N 1.029 120.942 119.950 -0.062 0.000 2.483 81 F HA 0.488 5.013 4.527 -0.004 0.000 0.329 81 F C 0.403 176.195 175.800 -0.013 0.000 1.064 81 F CA -1.009 56.978 58.000 -0.021 0.000 0.986 81 F CB 1.657 40.655 39.000 -0.004 0.000 1.218 81 F HN -0.158 nan 8.300 nan 0.000 0.484 82 V N 2.436 122.492 119.914 0.237 0.000 2.495 82 V HA 0.428 4.545 4.120 -0.003 0.000 0.298 82 V C -0.183 175.963 176.094 0.087 0.000 1.031 82 V CA -1.091 61.278 62.300 0.116 0.000 0.871 82 V CB 1.742 33.612 31.823 0.077 0.000 0.988 82 V HN 0.646 nan 8.190 nan 0.000 0.432 83 R N 3.567 124.085 120.500 0.029 0.000 2.340 83 R HA 0.601 4.939 4.340 -0.003 0.000 0.300 83 R C -0.632 175.634 176.300 -0.057 0.000 1.069 83 R CA -0.102 55.981 56.100 -0.029 0.000 0.984 83 R CB 1.223 31.467 30.300 -0.093 0.000 1.003 83 R HN 0.683 nan 8.270 nan 0.000 0.459 84 V N 0.565 120.429 119.914 -0.083 0.000 3.155 84 V HA 0.613 4.731 4.120 -0.003 0.000 0.313 84 V C -0.081 175.944 176.094 -0.116 0.000 1.162 84 V CA -0.925 61.329 62.300 -0.076 0.000 1.048 84 V CB 1.660 33.456 31.823 -0.045 0.000 1.092 84 V HN 0.905 nan 8.190 nan 0.000 0.447 85 S N -0.382 115.281 115.700 -0.062 0.000 2.632 85 S HA 0.282 4.750 4.470 -0.003 0.000 0.267 85 S C 0.393 174.983 174.600 -0.016 0.000 1.276 85 S CA -0.082 58.101 58.200 -0.027 0.000 0.998 85 S CB 0.571 63.793 63.200 0.037 0.000 0.953 85 S HN 0.890 nan 8.310 nan 0.000 0.547 86 W N 0.544 121.852 121.300 0.013 0.000 2.338 86 W HA -0.083 4.575 4.660 -0.003 0.000 0.304 86 W C 1.931 178.451 176.519 0.002 0.000 1.212 86 W CA 1.220 58.566 57.345 0.002 0.000 1.264 86 W CB -0.228 29.232 29.460 -0.001 0.000 1.142 86 W HN 0.727 nan 8.180 nan 0.000 0.512 87 D N -0.393 120.158 120.400 0.252 0.000 2.123 87 D HA -0.208 4.430 4.640 -0.003 0.000 0.196 87 D C 1.959 178.330 176.300 0.117 0.000 0.992 87 D CA 1.534 55.628 54.000 0.158 0.000 0.833 87 D CB -0.577 40.288 40.800 0.110 0.000 0.954 87 D HN 0.363 nan 8.370 nan 0.000 0.455 88 Q N 0.414 120.266 119.800 0.088 0.000 2.050 88 Q HA -0.086 4.252 4.340 -0.003 0.000 0.202 88 Q C 2.290 178.332 176.000 0.070 0.000 0.980 88 Q CA 1.493 57.334 55.803 0.063 0.000 0.840 88 Q CB -0.159 28.601 28.738 0.037 0.000 0.898 88 Q HN 0.211 nan 8.270 nan 0.000 0.424 89 A N 0.918 123.769 122.820 0.051 0.000 1.908 89 A HA -0.175 4.143 4.320 -0.003 0.000 0.218 89 A C 2.091 179.739 177.584 0.106 0.000 1.181 89 A CA 1.265 53.324 52.037 0.036 0.000 0.627 89 A CB -0.724 18.217 19.000 -0.098 0.000 0.818 89 A HN 0.291 nan 8.150 nan 0.000 0.445 90 L N -0.659 120.664 121.223 0.168 0.000 2.093 90 L HA -0.163 4.175 4.340 -0.003 0.000 0.208 90 L C 2.058 179.003 176.870 0.125 0.000 1.085 90 L CA 1.247 56.186 54.840 0.166 0.000 0.755 90 L CB -0.638 41.525 42.059 0.173 0.000 0.904 90 L HN 0.277 nan 8.230 nan 0.000 0.435 91 D N 0.095 120.560 120.400 0.107 0.000 2.117 91 D HA -0.184 4.454 4.640 -0.003 0.000 0.197 91 D C 2.071 178.432 176.300 0.101 0.000 0.987 91 D CA 1.112 55.166 54.000 0.091 0.000 0.829 91 D CB -0.125 40.720 40.800 0.075 0.000 0.961 91 D HN 0.120 nan 8.370 nan 0.000 0.460 92 L N 0.468 121.757 121.223 0.110 0.000 2.056 92 L HA -0.110 4.228 4.340 -0.003 0.000 0.207 92 L C 2.224 179.187 176.870 0.155 0.000 1.078 92 L CA 1.208 56.129 54.840 0.134 0.000 0.749 92 L CB -0.403 41.747 42.059 0.151 0.000 0.901 92 L HN -0.130 nan 8.230 nan 0.000 0.433 93 V N 0.024 120.025 119.914 0.144 0.000 2.295 93 V HA -0.295 3.823 4.120 -0.003 0.000 0.246 93 V C 2.786 178.991 176.094 0.186 0.000 1.049 93 V CA 1.669 64.066 62.300 0.162 0.000 1.024 93 V CB -1.289 30.643 31.823 0.181 0.000 0.648 93 V HN 0.599 nan 8.190 nan 0.000 0.447 94 A N -0.132 122.785 122.820 0.161 0.000 1.933 94 A HA -0.126 4.192 4.320 -0.003 0.000 0.218 94 A C 2.385 180.045 177.584 0.127 0.000 1.175 94 A CA 2.127 54.249 52.037 0.140 0.000 0.628 94 A CB -0.715 18.348 19.000 0.106 0.000 0.814 94 A HN 0.583 nan 8.150 nan 0.000 0.444 95 A N -0.761 122.131 122.820 0.119 0.000 1.930 95 A HA -0.083 4.235 4.320 -0.003 0.000 0.217 95 A C 1.967 179.626 177.584 0.126 0.000 1.175 95 A CA 1.508 53.609 52.037 0.106 0.000 0.627 95 A CB -0.313 18.741 19.000 0.091 0.000 0.815 95 A HN 0.442 nan 8.150 nan 0.000 0.443 96 E N -0.127 120.170 120.200 0.162 0.000 2.072 96 E HA -0.081 4.267 4.350 -0.003 0.000 0.190 96 E C 2.217 178.929 176.600 0.188 0.000 0.982 96 E CA 1.097 57.612 56.400 0.191 0.000 0.803 96 E CB -0.493 29.349 29.700 0.237 0.000 0.755 96 E HN 0.362 nan 8.360 nan 0.000 0.453 97 V N 1.552 121.582 119.914 0.193 0.000 2.287 97 V HA -0.265 3.853 4.120 -0.003 0.000 0.248 97 V C 2.466 178.653 176.094 0.155 0.000 1.053 97 V CA 1.936 64.355 62.300 0.198 0.000 1.027 97 V CB -0.370 31.581 31.823 0.214 0.000 0.646 97 V HN 0.130 nan 8.190 nan 0.000 0.447 98 K N 0.388 120.864 120.400 0.127 0.000 2.057 98 K HA -0.157 4.161 4.320 -0.003 0.000 0.206 98 K C 2.288 178.938 176.600 0.083 0.000 1.050 98 K CA 1.494 57.837 56.287 0.095 0.000 0.935 98 K CB -0.413 32.133 32.500 0.077 0.000 0.715 98 K HN 0.321 nan 8.250 nan 0.000 0.439 99 R N -0.124 120.431 120.500 0.091 0.000 2.083 99 R HA -0.125 4.212 4.340 -0.003 0.000 0.237 99 R C 1.885 178.230 176.300 0.076 0.000 1.137 99 R CA 1.903 58.045 56.100 0.069 0.000 0.951 99 R CB -0.383 29.968 30.300 0.085 0.000 0.851 99 R HN 0.090 nan 8.270 nan 0.000 0.434 100 V N 1.555 121.564 119.914 0.158 0.000 2.358 100 V HA -0.190 3.928 4.120 -0.003 0.000 0.246 100 V C 2.301 178.512 176.094 0.196 0.000 1.047 100 V CA 1.854 64.309 62.300 0.258 0.000 1.035 100 V CB -0.446 31.554 31.823 0.295 0.000 0.658 100 V HN 0.386 nan 8.190 nan 0.000 0.452 101 E N -0.182 120.103 120.200 0.141 0.000 2.110 101 E HA -0.196 4.152 4.350 -0.003 0.000 0.193 101 E C 2.254 178.882 176.600 0.046 0.000 0.988 101 E CA 1.018 57.480 56.400 0.103 0.000 0.804 101 E CB -0.135 29.622 29.700 0.096 0.000 0.745 101 E HN 0.606 nan 8.360 nan 0.000 0.458 102 E N 0.075 120.286 120.200 0.018 0.000 2.112 102 E HA -0.051 4.297 4.350 -0.003 0.000 0.190 102 E C 2.117 178.664 176.600 -0.090 0.000 0.979 102 E CA 0.895 57.280 56.400 -0.025 0.000 0.814 102 E CB -0.230 29.456 29.700 -0.023 0.000 0.762 102 E HN 0.197 nan 8.360 nan 0.000 0.460 103 T N 0.158 114.611 114.554 -0.169 0.000 2.809 103 T HA -0.083 4.265 4.350 -0.003 0.000 0.260 103 T C 1.222 175.629 174.700 -0.488 0.000 1.039 103 T CA 1.091 62.944 62.100 -0.412 0.000 1.141 103 T CB -0.181 68.263 68.868 -0.706 0.000 0.869 103 T HN 0.164 nan 8.240 nan 0.000 0.437 104 Y N 0.607 120.911 120.300 0.006 0.000 2.445 104 Y HA 0.486 5.033 4.550 -0.004 0.000 0.247 104 Y C 1.473 177.349 175.900 -0.040 0.000 1.129 104 Y CA -0.280 57.815 58.100 -0.009 0.000 1.251 104 Y CB 0.156 38.624 38.460 0.013 0.000 1.176 104 Y HN 0.380 nan 8.280 nan 0.000 0.522 105 G N 1.330 110.170 108.800 0.067 0.000 2.757 105 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.638 105 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.638 105 G C -1.959 172.943 174.900 0.004 0.000 1.344 105 G CA -0.445 44.642 45.100 -0.023 0.000 0.855 105 G HN 0.016 nan 8.290 nan 0.000 0.537 106 P HA -0.101 nan 4.420 nan 0.000 0.223 106 P C 1.628 178.991 177.300 0.105 0.000 1.151 106 P CA 1.863 64.981 63.100 0.030 0.000 0.787 106 P CB -0.026 31.695 31.700 0.035 0.000 0.788 107 Q N -0.182 119.563 119.800 -0.091 0.000 2.500 107 Q HA 0.001 4.339 4.340 -0.003 0.000 0.213 107 Q C 1.936 178.020 176.000 0.141 0.000 0.974 107 Q CA 1.677 57.543 55.803 0.105 0.000 0.918 107 Q CB -1.653 27.074 28.738 -0.018 0.000 0.980 107 Q HN 0.229 nan 8.270 nan 0.000 0.505 108 G N 0.634 109.510 108.800 0.126 0.000 2.777 108 G HA2 0.214 4.171 3.960 -0.003 0.000 0.211 108 G HA3 0.214 4.171 3.960 -0.003 0.000 0.211 108 G C 0.189 175.172 174.900 0.138 0.000 1.149 108 G CA -0.035 45.125 45.100 0.100 0.000 0.785 108 G HN 0.183 nan 8.290 nan 0.000 0.536 109 V N 1.175 121.213 119.914 0.208 0.000 2.357 109 V HA 0.417 4.535 4.120 -0.003 0.000 0.284 109 V C -1.059 175.212 176.094 0.295 0.000 1.018 109 V CA -1.128 61.317 62.300 0.240 0.000 0.841 109 V CB 1.355 33.323 31.823 0.241 0.000 0.991 109 V HN 0.166 nan 8.190 nan 0.000 0.437 110 F N 4.056 124.078 119.950 0.119 0.000 2.421 110 F HA 0.671 5.196 4.527 -0.003 0.000 0.358 110 F C 0.995 176.825 175.800 0.050 0.000 1.115 110 F CA -0.629 57.422 58.000 0.086 0.000 1.160 110 F CB 1.296 40.312 39.000 0.027 0.000 1.123 110 F HN 0.517 nan 8.300 nan 0.000 0.508 111 G N 3.549 112.011 108.800 -0.563 0.000 3.735 111 G HA2 0.182 4.140 3.960 -0.003 0.000 0.283 111 G HA3 0.182 4.140 3.960 -0.003 0.000 0.283 111 G C 1.245 175.641 174.900 -0.840 0.000 1.007 111 G CA 0.225 44.959 45.100 -0.610 0.000 0.821 111 G HN 0.952 nan 8.290 nan 0.000 0.505 112 G N 0.658 108.618 108.800 -1.400 0.000 2.446 112 G HA2 -0.134 3.824 3.960 -0.003 0.000 0.217 112 G HA3 -0.134 3.824 3.960 -0.003 0.000 0.217 112 G C 1.148 175.661 174.900 -0.645 0.000 1.168 112 G CA 1.369 45.919 45.100 -0.917 0.000 0.771 112 G HN 1.078 nan 8.290 nan 0.000 0.551 113 S N -1.324 113.744 115.700 -1.053 0.000 3.477 113 S HA -0.275 4.193 4.470 -0.003 0.000 0.371 113 S C 0.267 174.658 174.600 -0.347 0.000 0.965 113 S CA 0.311 57.749 58.200 -1.269 0.000 1.239 113 S CB -1.756 61.031 63.200 -0.690 0.000 0.918 113 S HN 0.626 nan 8.310 nan 0.000 0.498 114 Y N 0.877 121.218 120.300 0.069 0.000 2.712 114 Y HA 0.409 4.957 4.550 -0.004 0.000 0.333 114 Y C 0.907 177.136 175.900 0.548 0.000 1.225 114 Y CA 1.683 60.009 58.100 0.377 0.000 1.499 114 Y CB 0.240 39.003 38.460 0.506 0.000 1.288 114 Y HN 0.658 nan 8.280 nan 0.000 0.575 115 G N 3.978 112.635 108.800 -0.239 0.000 2.377 115 G HA2 0.014 3.972 3.960 -0.003 0.000 0.297 115 G HA3 0.014 3.972 3.960 -0.003 0.000 0.297 115 G C -1.102 173.860 174.900 0.103 0.000 1.547 115 G CA -0.911 44.243 45.100 0.091 0.000 0.833 115 G HN 0.680 nan 8.290 nan 0.000 0.583 116 W N 1.756 123.124 121.300 0.113 0.000 2.770 116 W HA 0.157 4.815 4.660 -0.003 0.000 0.256 116 W C 2.161 178.764 176.519 0.140 0.000 1.291 116 W CA 1.054 58.506 57.345 0.179 0.000 1.396 116 W CB 0.150 29.724 29.460 0.190 0.000 1.114 116 W HN 1.090 nan 8.180 nan 0.000 0.637 117 K N -0.800 119.775 120.400 0.292 0.000 2.262 117 K HA -0.326 3.992 4.320 -0.003 0.000 0.128 117 K C 0.111 176.893 176.600 0.305 0.000 1.418 117 K CA 1.377 57.798 56.287 0.223 0.000 0.647 117 K CB -1.868 30.678 32.500 0.076 0.000 0.516 117 K HN -0.080 nan 8.250 nan 0.000 0.989 118 S N 1.323 117.076 115.700 0.088 0.000 2.599 118 S HA 0.608 5.076 4.470 -0.003 0.000 0.287 118 S C -2.730 171.625 174.600 -0.408 0.000 1.105 118 S CA -1.077 57.045 58.200 -0.130 0.000 0.899 118 S CB 2.204 65.403 63.200 -0.002 0.000 1.100 118 S HN 0.536 nan 8.310 nan 0.000 0.482 119 P HA 0.551 nan 4.420 nan 0.000 0.275 119 P C -0.337 176.811 177.300 -0.254 0.000 1.266 119 P CA -0.010 62.795 63.100 -0.491 0.000 0.793 119 P CB 0.225 31.650 31.700 -0.459 0.000 1.074 120 G N 0.028 108.713 108.800 -0.191 0.000 2.760 120 G HA2 -0.023 3.935 3.960 -0.003 0.000 0.540 120 G HA3 -0.023 3.935 3.960 -0.003 0.000 0.540 120 G C 0.265 175.108 174.900 -0.094 0.000 1.476 120 G CA -0.689 44.368 45.100 -0.072 0.000 0.949 120 G HN 0.281 nan 8.290 nan 0.000 0.633 121 R N 1.006 121.464 120.500 -0.070 0.000 2.153 121 R HA 0.088 4.426 4.340 -0.003 0.000 0.218 121 R C 2.380 178.566 176.300 -0.189 0.000 1.072 121 R CA 1.191 57.176 56.100 -0.192 0.000 0.990 121 R CB -0.348 29.797 30.300 -0.259 0.000 0.889 121 R HN 0.589 nan 8.270 nan 0.000 0.452 122 L N -0.071 121.142 121.223 -0.016 0.000 2.189 122 L HA 0.092 4.430 4.340 -0.003 0.000 0.199 122 L C 0.861 177.571 176.870 -0.266 0.000 1.074 122 L CA 1.438 56.209 54.840 -0.115 0.000 0.783 122 L CB -0.283 41.641 42.059 -0.225 0.000 0.955 122 L HN 0.085 nan 8.230 nan 0.000 0.460 123 H N 1.352 120.418 119.070 -0.006 0.000 2.768 123 H HA 0.219 4.773 4.556 -0.003 0.000 0.228 123 H C -0.302 175.028 175.328 0.002 0.000 1.812 123 H CA -0.159 55.901 56.048 0.021 0.000 1.273 123 H CB -0.827 28.945 29.762 0.016 0.000 1.631 123 H HN 0.251 nan 8.280 nan 0.000 0.526 124 N N 1.922 120.644 118.700 0.036 0.000 2.645 124 N HA -0.019 4.719 4.740 -0.003 0.000 0.233 124 N C 1.378 176.908 175.510 0.033 0.000 1.058 124 N CA -0.373 52.666 53.050 -0.020 0.000 0.942 124 N CB 0.030 38.455 38.487 -0.103 0.000 1.210 124 N HN 0.414 nan 8.380 nan 0.000 0.512 125 C N 1.209 120.570 119.300 0.102 0.000 2.422 125 C HA -0.101 4.357 4.460 -0.003 0.000 0.279 125 C C 2.397 177.435 174.990 0.080 0.000 1.305 125 C CA 1.272 60.405 59.018 0.191 0.000 1.757 125 C CB -1.579 26.305 27.740 0.240 0.000 1.962 125 C HN 0.704 nan 8.230 nan 0.000 0.499 126 T N -1.646 112.900 114.554 -0.013 0.000 2.857 126 T HA -0.100 4.247 4.350 -0.003 0.000 0.266 126 T C 1.620 176.197 174.700 -0.205 0.000 1.048 126 T CA 2.117 64.145 62.100 -0.119 0.000 1.139 126 T CB -1.116 67.694 68.868 -0.096 0.000 0.874 126 T HN 0.545 nan 8.240 nan 0.000 0.455 127 T N 2.112 116.571 114.554 -0.158 0.000 2.904 127 T HA 0.207 4.555 4.350 -0.003 0.000 0.267 127 T C 1.836 176.386 174.700 -0.250 0.000 1.059 127 T CA 0.799 62.780 62.100 -0.198 0.000 1.137 127 T CB -0.435 68.333 68.868 -0.166 0.000 0.879 127 T HN 0.295 nan 8.240 nan 0.000 0.467 128 L N 0.545 121.651 121.223 -0.194 0.000 2.093 128 L HA -0.023 4.315 4.340 -0.003 0.000 0.208 128 L C 2.366 178.862 176.870 -0.624 0.000 1.085 128 L CA 0.597 55.324 54.840 -0.188 0.000 0.755 128 L CB -0.525 41.631 42.059 0.162 0.000 0.904 128 L HN 0.238 nan 8.230 nan 0.000 0.435 129 L N 0.098 120.799 121.223 -0.869 0.000 1.994 129 L HA -0.203 4.135 4.340 -0.003 0.000 0.208 129 L C 2.698 179.042 176.870 -0.878 0.000 1.071 129 L CA 1.787 55.848 54.840 -1.299 0.000 0.745 129 L CB -0.474 41.094 42.059 -0.819 0.000 0.892 129 L HN 0.079 nan 8.230 nan 0.000 0.431 130 R N -0.857 119.237 120.500 -0.676 0.000 2.115 130 R HA -0.137 4.201 4.340 -0.003 0.000 0.230 130 R C 2.453 178.519 176.300 -0.388 0.000 1.111 130 R CA 1.303 56.983 56.100 -0.701 0.000 0.976 130 R CB -0.412 29.523 30.300 -0.609 0.000 0.870 130 R HN 0.410 nan 8.270 nan 0.000 0.445 131 R N 0.707 121.028 120.500 -0.299 0.000 2.083 131 R HA -0.141 4.197 4.340 -0.003 0.000 0.237 131 R C 2.314 178.589 176.300 -0.043 0.000 1.137 131 R CA 1.550 57.552 56.100 -0.163 0.000 0.951 131 R CB -0.154 29.994 30.300 -0.254 0.000 0.851 131 R HN 0.138 nan 8.270 nan 0.000 0.434 132 M N 0.785 120.335 119.600 -0.084 0.000 2.132 132 M HA -0.136 4.342 4.480 -0.003 0.000 0.263 132 M C 1.919 178.163 176.300 -0.093 0.000 1.065 132 M CA 1.636 56.897 55.300 -0.066 0.000 1.122 132 M CB -0.371 32.056 32.600 -0.288 0.000 1.365 132 M HN 0.280 nan 8.290 nan 0.000 0.411 133 L N -0.553 120.546 121.223 -0.207 0.000 2.141 133 L HA -0.177 4.161 4.340 -0.003 0.000 0.209 133 L C 2.268 179.215 176.870 0.128 0.000 1.094 133 L CA 1.354 56.151 54.840 -0.071 0.000 0.763 133 L CB -1.083 40.867 42.059 -0.183 0.000 0.908 133 L HN 0.282 nan 8.230 nan 0.000 0.437 134 T N 0.461 115.096 114.554 0.136 0.000 2.684 134 T HA -0.179 4.169 4.350 -0.003 0.000 0.267 134 T C 1.951 176.719 174.700 0.112 0.000 1.036 134 T CA 1.310 63.520 62.100 0.183 0.000 1.148 134 T CB -0.243 68.707 68.868 0.136 0.000 0.863 134 T HN 0.217 nan 8.240 nan 0.000 0.436 135 L N 0.600 121.875 121.223 0.086 0.000 2.141 135 L HA -0.019 4.319 4.340 -0.003 0.000 0.209 135 L C 2.874 179.789 176.870 0.076 0.000 1.094 135 L CA 0.954 55.843 54.840 0.081 0.000 0.763 135 L CB -0.542 41.576 42.059 0.097 0.000 0.908 135 L HN 0.238 nan 8.230 nan 0.000 0.437 136 A N -0.750 122.117 122.820 0.079 0.000 2.119 136 A HA 0.203 4.521 4.320 -0.003 0.000 0.216 136 A C 1.802 179.440 177.584 0.090 0.000 1.152 136 A CA 1.234 53.320 52.037 0.082 0.000 0.708 136 A CB -0.203 18.849 19.000 0.087 0.000 0.805 136 A HN 0.520 nan 8.150 nan 0.000 0.460 137 G N -3.634 105.227 108.800 0.102 0.000 2.425 137 G HA2 0.454 4.411 3.960 -0.003 0.000 0.177 137 G HA3 0.454 4.411 3.960 -0.003 0.000 0.177 137 G C 0.910 175.882 174.900 0.120 0.000 0.999 137 G CA 0.369 45.524 45.100 0.093 0.000 0.723 137 G HN 2.215 nan 8.290 nan 0.000 0.491 138 G N -0.975 107.932 108.800 0.178 0.000 2.381 138 G HA2 0.633 4.591 3.960 -0.003 0.000 0.672 138 G HA3 0.633 4.591 3.960 -0.003 0.000 0.672 138 G C -0.763 174.308 174.900 0.285 0.000 1.324 138 G CA 0.037 45.244 45.100 0.179 0.000 0.975 138 G HN 2.003 nan 8.290 nan 0.000 0.593 139 Y N -3.387 117.028 120.300 0.193 0.000 2.702 139 Y HA 0.692 5.239 4.550 -0.004 0.000 0.336 139 Y C -0.537 175.458 175.900 0.159 0.000 1.203 139 Y CA -1.530 56.656 58.100 0.144 0.000 1.072 139 Y CB 0.688 39.139 38.460 -0.016 0.000 1.327 139 Y HN 0.848 nan 8.280 nan 0.000 0.456 140 V N 2.863 122.940 119.914 0.272 0.000 2.465 140 V HA 0.348 4.466 4.120 -0.003 0.000 0.279 140 V C -0.283 175.862 176.094 0.084 0.000 1.045 140 V CA -0.324 62.086 62.300 0.182 0.000 0.938 140 V CB 1.008 33.065 31.823 0.390 0.000 0.986 140 V HN 0.789 nan 8.190 nan 0.000 0.467 141 N N 2.280 120.976 118.700 -0.006 0.000 2.518 141 N HA 0.673 5.411 4.740 -0.003 0.000 0.284 141 N C -0.107 175.409 175.510 0.009 0.000 1.230 141 N CA -0.059 52.963 53.050 -0.046 0.000 0.941 141 N CB 2.152 40.644 38.487 0.008 0.000 1.219 141 N HN 0.770 nan 8.380 nan 0.000 0.560 142 G N -1.152 107.642 108.800 -0.010 0.000 2.454 142 G HA2 0.739 4.697 3.960 -0.003 0.000 0.329 142 G HA3 0.739 4.697 3.960 -0.003 0.000 0.329 142 G C -1.402 173.504 174.900 0.010 0.000 1.177 142 G CA -0.445 44.710 45.100 0.092 0.000 0.951 142 G HN 0.621 nan 8.290 nan 0.000 0.485 143 A N -0.344 122.452 122.820 -0.040 0.000 2.380 143 A HA 0.997 5.315 4.320 -0.003 0.000 0.315 143 A C 0.699 178.246 177.584 -0.061 0.000 1.101 143 A CA 0.455 52.449 52.037 -0.072 0.000 0.771 143 A CB 1.124 20.027 19.000 -0.162 0.000 1.287 143 A HN 2.659 nan 8.150 nan 0.000 0.436 144 G N 0.944 109.734 108.800 -0.017 0.000 2.598 144 G HA2 0.243 4.201 3.960 -0.003 0.000 0.244 144 G HA3 0.243 4.201 3.960 -0.003 0.000 0.244 144 G C -0.494 174.423 174.900 0.030 0.000 1.302 144 G CA 0.991 46.092 45.100 0.002 0.000 0.903 144 G HN 2.260 nan 8.290 nan 0.000 0.575 145 D N -3.693 116.702 120.400 -0.009 0.000 2.692 145 D HA 0.525 5.163 4.640 -0.003 0.000 0.303 145 D C 0.118 176.346 176.300 -0.120 0.000 1.278 145 D CA -0.703 53.324 54.000 0.044 0.000 0.852 145 D CB 0.049 41.012 40.800 0.272 0.000 1.375 145 D HN 0.349 nan 8.370 nan 0.000 0.453 146 Y N -0.301 119.901 120.300 -0.163 0.000 2.511 146 Y HA 0.162 4.710 4.550 -0.004 0.000 0.279 146 Y C 2.101 178.050 175.900 0.082 0.000 1.157 146 Y CA 0.705 58.751 58.100 -0.090 0.000 1.300 146 Y CB 0.362 38.727 38.460 -0.158 0.000 1.052 146 Y HN 0.316 nan 8.280 nan 0.000 0.529 147 S N -1.217 114.632 115.700 0.248 0.000 2.387 147 S HA -0.063 4.405 4.470 -0.003 0.000 0.221 147 S C 1.434 175.993 174.600 -0.068 0.000 1.041 147 S CA 1.444 59.772 58.200 0.214 0.000 0.959 147 S CB -0.266 63.052 63.200 0.197 0.000 0.843 147 S HN 0.471 nan 8.310 nan 0.000 0.488 148 T N -0.979 113.419 114.554 -0.260 0.000 3.487 148 T HA 0.440 4.788 4.350 -0.003 0.000 0.287 148 T C 1.329 175.885 174.700 -0.240 0.000 1.004 148 T CA 0.132 61.957 62.100 -0.458 0.000 0.977 148 T CB 0.487 68.772 68.868 -0.971 0.000 1.180 148 T HN 0.202 nan 8.240 nan 0.000 0.490 149 G N 1.613 110.342 108.800 -0.119 0.000 2.469 149 G HA2 -0.059 3.898 3.960 -0.003 0.000 0.220 149 G HA3 -0.059 3.898 3.960 -0.003 0.000 0.220 149 G C 1.487 176.359 174.900 -0.048 0.000 1.136 149 G CA 0.911 45.962 45.100 -0.082 0.000 0.759 149 G HN 0.769 nan 8.290 nan 0.000 0.562 150 A N 0.789 123.586 122.820 -0.038 0.000 1.871 150 A HA 0.547 4.865 4.320 -0.003 0.000 0.211 150 A C 2.808 180.365 177.584 -0.045 0.000 1.207 150 A CA 1.715 53.747 52.037 -0.010 0.000 0.620 150 A CB -0.851 18.174 19.000 0.041 0.000 0.860 150 A HN 0.782 nan 8.150 nan 0.000 0.450 151 A N 0.694 123.468 122.820 -0.076 0.000 1.940 151 A HA -0.260 4.058 4.320 -0.003 0.000 0.219 151 A C 2.196 179.657 177.584 -0.206 0.000 1.176 151 A CA 1.941 53.897 52.037 -0.136 0.000 0.631 151 A CB -0.805 18.016 19.000 -0.298 0.000 0.814 151 A HN 0.781 nan 8.150 nan 0.000 0.446 152 Q N -0.698 118.952 119.800 -0.250 0.000 2.364 152 Q HA -0.030 4.308 4.340 -0.003 0.000 0.207 152 Q C 1.430 177.345 176.000 -0.141 0.000 0.970 152 Q CA 1.666 57.330 55.803 -0.233 0.000 0.888 152 Q CB -0.318 28.280 28.738 -0.234 0.000 0.951 152 Q HN 0.377 nan 8.270 nan 0.000 0.469 153 V N 0.219 120.071 119.914 -0.104 0.000 2.685 153 V HA -0.095 4.023 4.120 -0.003 0.000 0.244 153 V C 1.976 178.022 176.094 -0.080 0.000 1.054 153 V CA 0.677 62.923 62.300 -0.090 0.000 1.076 153 V CB -0.080 31.696 31.823 -0.079 0.000 0.725 153 V HN 0.288 nan 8.190 nan 0.000 0.467 154 I N -0.232 120.277 120.570 -0.101 0.000 2.353 154 I HA -0.114 4.054 4.170 -0.003 0.000 0.248 154 I C 2.257 178.240 176.117 -0.225 0.000 1.119 154 I CA 1.562 62.760 61.300 -0.170 0.000 1.417 154 I CB -0.248 37.612 38.000 -0.234 0.000 1.078 154 I HN 0.108 nan 8.210 nan 0.000 0.421 155 M N 0.678 120.167 119.600 -0.185 0.000 2.106 155 M HA -0.137 4.341 4.480 -0.003 0.000 0.259 155 M C -0.177 176.020 176.300 -0.171 0.000 1.068 155 M CA 2.011 57.211 55.300 -0.166 0.000 1.100 155 M CB -2.558 29.975 32.600 -0.111 0.000 1.351 155 M HN 0.130 nan 8.290 nan 0.000 0.404 156 P HA -0.132 nan 4.420 nan 0.000 0.219 156 P C 1.248 178.364 177.300 -0.306 0.000 1.146 156 P CA 1.250 64.198 63.100 -0.254 0.000 0.808 156 P CB -0.321 31.193 31.700 -0.309 0.000 0.779 157 H N -1.903 117.029 119.070 -0.229 0.000 2.535 157 H HA 0.113 4.667 4.556 -0.003 0.000 0.273 157 H C 1.606 176.772 175.328 -0.271 0.000 0.983 157 H CA 0.794 56.689 56.048 -0.256 0.000 1.238 157 H CB 0.054 29.602 29.762 -0.357 0.000 1.412 157 H HN 0.063 nan 8.280 nan 0.000 0.562 158 V N 0.249 120.050 119.914 -0.189 0.000 2.743 158 V HA -0.063 4.055 4.120 -0.003 0.000 0.237 158 V C 2.206 178.262 176.094 -0.064 0.000 1.113 158 V CA 1.032 63.227 62.300 -0.174 0.000 1.141 158 V CB 0.265 31.899 31.823 -0.314 0.000 0.873 158 V HN 0.306 nan 8.190 nan 0.000 0.486 159 V N -2.163 117.719 119.914 -0.052 0.000 3.528 159 V HA 0.696 4.814 4.120 -0.003 0.000 0.294 159 V C 1.369 177.457 176.094 -0.009 0.000 1.404 159 V CA 0.886 63.189 62.300 0.005 0.000 1.065 159 V CB -0.091 31.811 31.823 0.131 0.000 0.904 159 V HN 0.726 nan 8.190 nan 0.000 0.435 160 G N 1.125 109.891 108.800 -0.057 0.000 2.268 160 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.240 160 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.240 160 G C 0.423 175.279 174.900 -0.074 0.000 1.010 160 G CA 0.858 45.915 45.100 -0.070 0.000 0.618 160 G HN 1.333 nan 8.290 nan 0.000 0.516 161 T N -2.476 112.047 114.554 -0.051 0.000 2.831 161 T HA 0.717 5.065 4.350 -0.003 0.000 0.287 161 T C 1.097 175.759 174.700 -0.062 0.000 1.070 161 T CA -0.052 62.016 62.100 -0.054 0.000 1.010 161 T CB 1.658 70.506 68.868 -0.033 0.000 1.264 161 T HN 0.443 nan 8.240 nan 0.000 0.532 162 L N 0.896 122.080 121.223 -0.065 0.000 2.017 162 L HA 0.047 4.385 4.340 -0.003 0.000 0.208 162 L C 2.175 178.984 176.870 -0.101 0.000 1.073 162 L CA 2.834 57.616 54.840 -0.097 0.000 0.745 162 L CB -1.112 40.904 42.059 -0.070 0.000 0.894 162 L HN 1.156 nan 8.230 nan 0.000 0.432 163 E N -2.022 118.157 120.200 -0.035 0.000 4.795 163 E HA -0.301 4.046 4.350 -0.003 0.000 0.162 163 E C 1.532 178.131 176.600 -0.001 0.000 1.142 163 E CA 1.969 58.383 56.400 0.024 0.000 2.419 163 E CB -1.649 28.111 29.700 0.100 0.000 1.740 163 E HN 0.283 nan 8.360 nan 0.000 0.493 164 V N -1.269 118.546 119.914 -0.165 0.000 2.626 164 V HA -0.022 4.096 4.120 -0.003 0.000 0.252 164 V C 1.580 177.628 176.094 -0.076 0.000 1.067 164 V CA 2.085 64.249 62.300 -0.225 0.000 1.081 164 V CB -0.703 30.649 31.823 -0.785 0.000 0.686 164 V HN 0.339 nan 8.190 nan 0.000 0.468 165 Y N 1.116 121.496 120.300 0.132 0.000 2.774 165 Y HA 0.601 5.149 4.550 -0.004 0.000 0.305 165 Y C 0.500 176.583 175.900 0.305 0.000 1.067 165 Y CA -1.542 56.708 58.100 0.251 0.000 1.304 165 Y CB -0.387 38.110 38.460 0.062 0.000 1.209 165 Y HN 0.453 nan 8.280 nan 0.000 0.543 166 E N 0.047 120.460 120.200 0.355 0.000 2.244 166 E HA 0.318 4.666 4.350 -0.003 0.000 0.266 166 E C -0.816 175.845 176.600 0.102 0.000 0.914 166 E CA -1.434 55.107 56.400 0.235 0.000 0.794 166 E CB 1.666 31.414 29.700 0.080 0.000 1.210 166 E HN -0.016 nan 8.360 nan 0.000 0.414 167 Q N 2.171 121.996 119.800 0.042 0.000 2.330 167 Q HA -0.046 4.292 4.340 -0.003 0.000 0.279 167 Q C -0.705 175.222 176.000 -0.122 0.000 1.024 167 Q CA 0.544 56.247 55.803 -0.167 0.000 0.900 167 Q CB 0.530 29.137 28.738 -0.217 0.000 1.221 167 Q HN 0.240 nan 8.270 nan 0.000 0.396 168 Q N 1.973 121.598 119.800 -0.291 0.000 2.212 168 Q HA 0.297 4.635 4.340 -0.003 0.000 0.238 168 Q C -0.344 175.652 176.000 -0.007 0.000 0.955 168 Q CA -0.456 55.163 55.803 -0.306 0.000 0.906 168 Q CB 0.622 28.805 28.738 -0.925 0.000 1.215 168 Q HN 0.705 nan 8.270 nan 0.000 0.478 169 T N 1.622 116.136 114.554 -0.067 0.000 2.905 169 T HA 0.134 4.482 4.350 -0.003 0.000 0.299 169 T C 0.181 174.906 174.700 0.043 0.000 1.024 169 T CA 0.104 62.176 62.100 -0.047 0.000 1.151 169 T CB 0.087 68.904 68.868 -0.084 0.000 0.987 169 T HN 0.588 nan 8.240 nan 0.000 0.535 170 A N 3.372 126.257 122.820 0.108 0.000 2.520 170 A HA 0.126 4.444 4.320 -0.003 0.000 0.235 170 A C 1.013 178.664 177.584 0.112 0.000 1.065 170 A CA -0.242 51.869 52.037 0.123 0.000 0.764 170 A CB -0.004 19.103 19.000 0.179 0.000 1.002 170 A HN 1.103 nan 8.150 nan 0.000 0.502 171 W N 1.579 122.984 121.300 0.174 0.000 2.318 171 W HA -0.142 4.516 4.660 -0.004 0.000 0.313 171 W C -0.572 175.999 176.519 0.086 0.000 1.221 171 W CA 2.133 59.552 57.345 0.124 0.000 1.266 171 W CB -1.001 28.534 29.460 0.125 0.000 1.150 171 W HN 0.617 nan 8.180 nan 0.000 0.496 172 P HA -0.144 nan 4.420 nan 0.000 0.218 172 P C 1.533 178.919 177.300 0.142 0.000 1.149 172 P CA 1.513 64.733 63.100 0.200 0.000 0.817 172 P CB -0.288 31.509 31.700 0.163 0.000 0.785 173 V N -0.011 119.973 119.914 0.117 0.000 2.427 173 V HA -0.195 3.923 4.120 -0.003 0.000 0.248 173 V C 2.625 178.747 176.094 0.048 0.000 1.051 173 V CA 1.425 63.763 62.300 0.063 0.000 1.048 173 V CB -1.154 30.687 31.823 0.029 0.000 0.666 173 V HN 0.043 nan 8.190 nan 0.000 0.456 174 L N 0.172 121.430 121.223 0.058 0.000 2.056 174 L HA -0.131 4.207 4.340 -0.003 0.000 0.207 174 L C 2.762 179.677 176.870 0.075 0.000 1.078 174 L CA 1.629 56.487 54.840 0.030 0.000 0.749 174 L CB -0.934 41.124 42.059 -0.001 0.000 0.901 174 L HN 0.367 nan 8.230 nan 0.000 0.433 175 A N -0.315 122.585 122.820 0.135 0.000 1.972 175 A HA -0.162 4.156 4.320 -0.003 0.000 0.219 175 A C 2.125 179.757 177.584 0.079 0.000 1.169 175 A CA 1.391 53.501 52.037 0.122 0.000 0.635 175 A CB -0.230 18.854 19.000 0.141 0.000 0.810 175 A HN 0.362 nan 8.150 nan 0.000 0.446 176 E N -0.341 119.899 120.200 0.067 0.000 2.318 176 E HA 0.014 4.362 4.350 -0.003 0.000 0.193 176 E C 0.879 177.497 176.600 0.030 0.000 0.998 176 E CA 0.482 56.911 56.400 0.048 0.000 0.859 176 E CB -0.095 29.633 29.700 0.047 0.000 0.812 176 E HN 0.680 nan 8.360 nan 0.000 0.492 177 N N -0.067 118.646 118.700 0.021 0.000 2.360 177 N HA 0.025 4.762 4.740 -0.003 0.000 0.211 177 N C 0.047 175.551 175.510 -0.010 0.000 1.147 177 N CA 0.204 53.256 53.050 0.003 0.000 0.866 177 N CB 0.876 39.359 38.487 -0.007 0.000 1.206 177 N HN -0.066 nan 8.380 nan 0.000 0.478 178 T N 1.337 115.881 114.554 -0.017 0.000 2.884 178 T HA 0.164 4.512 4.350 -0.003 0.000 0.298 178 T C 1.077 175.760 174.700 -0.028 0.000 0.998 178 T CA 0.268 62.344 62.100 -0.040 0.000 1.124 178 T CB 1.754 70.579 68.868 -0.072 0.000 0.931 178 T HN 0.114 nan 8.240 nan 0.000 0.531 179 E N 1.070 121.251 120.200 -0.032 0.000 2.330 179 E HA 0.167 4.515 4.350 -0.003 0.000 0.200 179 E C -0.169 176.416 176.600 -0.026 0.000 0.922 179 E CA 0.176 56.566 56.400 -0.016 0.000 0.935 179 E CB 0.741 30.439 29.700 -0.003 0.000 0.917 179 E HN 0.260 nan 8.360 nan 0.000 0.491 180 V N 2.201 122.086 119.914 -0.049 0.000 2.525 180 V HA 0.315 4.433 4.120 -0.003 0.000 0.299 180 V C -0.925 175.075 176.094 -0.156 0.000 1.034 180 V CA -0.683 61.579 62.300 -0.062 0.000 0.863 180 V CB 1.627 33.456 31.823 0.010 0.000 0.999 180 V HN 0.113 nan 8.190 nan 0.000 0.423 181 M N 6.581 126.051 119.600 -0.216 0.000 2.227 181 M HA 0.692 5.170 4.480 -0.003 0.000 0.335 181 M C -1.292 174.750 176.300 -0.430 0.000 1.053 181 M CA -0.104 54.972 55.300 -0.373 0.000 0.973 181 M CB 1.597 33.940 32.600 -0.428 0.000 1.623 181 M HN 0.369 nan 8.290 nan 0.000 0.434 182 V N 6.213 125.850 119.914 -0.462 0.000 2.384 182 V HA 0.469 4.587 4.120 -0.003 0.000 0.287 182 V C -1.062 174.817 176.094 -0.358 0.000 1.020 182 V CA -0.454 61.655 62.300 -0.319 0.000 0.850 182 V CB 1.175 32.858 31.823 -0.233 0.000 0.987 182 V HN 0.684 nan 8.190 nan 0.000 0.436 183 F N 4.317 124.288 119.950 0.035 0.000 2.335 183 F HA 0.358 4.883 4.527 -0.004 0.000 0.365 183 F C -0.064 175.825 175.800 0.149 0.000 1.122 183 F CA -0.529 57.532 58.000 0.101 0.000 1.151 183 F CB 0.844 39.899 39.000 0.091 0.000 1.282 183 F HN 0.524 nan 8.300 nan 0.000 0.513 184 W N 4.773 126.182 121.300 0.181 0.000 2.278 184 W HA 0.507 5.165 4.660 -0.003 0.000 0.317 184 W C 0.188 176.784 176.519 0.128 0.000 1.030 184 W CA -1.283 56.146 57.345 0.140 0.000 1.334 184 W CB 1.131 30.651 29.460 0.099 0.000 1.215 184 W HN 0.734 nan 8.180 nan 0.000 0.405 185 A N 4.091 127.179 122.820 0.447 0.000 2.846 185 A HA 0.097 4.415 4.320 -0.003 0.000 0.287 185 A C -0.123 177.559 177.584 0.163 0.000 1.469 185 A CA 1.373 53.598 52.037 0.312 0.000 0.757 185 A CB -1.788 17.415 19.000 0.338 0.000 1.033 185 A HN 1.523 nan 8.150 nan 0.000 0.516 186 A N -0.497 122.416 122.820 0.155 0.000 2.455 186 A HA 0.675 4.992 4.320 -0.003 0.000 0.300 186 A C -0.617 177.000 177.584 0.055 0.000 1.040 186 A CA 0.286 52.346 52.037 0.038 0.000 0.697 186 A CB 1.237 20.295 19.000 0.097 0.000 1.265 186 A HN 0.863 nan 8.150 nan 0.000 0.407 187 D N 3.394 123.798 120.400 0.007 0.000 2.441 187 D HA 0.328 4.966 4.640 -0.003 0.000 0.287 187 D C -1.707 174.558 176.300 -0.057 0.000 1.198 187 D CA -1.722 52.270 54.000 -0.013 0.000 0.894 187 D CB 1.313 42.154 40.800 0.069 0.000 1.070 187 D HN 0.180 nan 8.370 nan 0.000 0.499 188 P HA -0.109 nan 4.420 nan 0.000 0.218 188 P C 1.868 179.030 177.300 -0.230 0.000 1.149 188 P CA 0.554 63.568 63.100 -0.143 0.000 0.817 188 P CB 0.771 32.349 31.700 -0.203 0.000 0.785 189 I N 0.210 120.649 120.570 -0.218 0.000 2.179 189 I HA -0.240 3.927 4.170 -0.003 0.000 0.242 189 I C 2.817 178.888 176.117 -0.076 0.000 1.088 189 I CA 1.625 62.833 61.300 -0.153 0.000 1.357 189 I CB -0.509 37.458 38.000 -0.055 0.000 1.051 189 I HN -0.017 nan 8.210 nan 0.000 0.409 190 K N 0.762 121.102 120.400 -0.100 0.000 2.001 190 K HA -0.180 4.138 4.320 -0.003 0.000 0.208 190 K C 1.977 178.414 176.600 -0.271 0.000 1.048 190 K CA 2.106 58.182 56.287 -0.351 0.000 0.932 190 K CB -0.102 32.311 32.500 -0.144 0.000 0.715 190 K HN 0.396 nan 8.250 nan 0.000 0.437 191 T N -2.066 112.421 114.554 -0.111 0.000 3.148 191 T HA 0.105 4.453 4.350 -0.003 0.000 0.253 191 T C 1.446 176.137 174.700 -0.016 0.000 1.134 191 T CA 0.501 62.571 62.100 -0.050 0.000 1.051 191 T CB 0.304 69.195 68.868 0.037 0.000 0.959 191 T HN -0.008 nan 8.240 nan 0.000 0.525 192 S N 1.436 117.122 115.700 -0.025 0.000 2.593 192 S HA 0.096 4.564 4.470 -0.003 0.000 0.217 192 S C 1.832 176.582 174.600 0.249 0.000 0.966 192 S CA -0.165 58.059 58.200 0.039 0.000 0.914 192 S CB -0.164 62.918 63.200 -0.198 0.000 0.776 192 S HN 0.593 nan 8.310 nan 0.000 0.523 193 Q N 0.579 120.491 119.800 0.186 0.000 2.291 193 Q HA -0.040 4.298 4.340 -0.003 0.000 0.206 193 Q C 0.521 176.717 176.000 0.327 0.000 0.976 193 Q CA 0.775 56.724 55.803 0.243 0.000 0.875 193 Q CB -0.296 28.488 28.738 0.077 0.000 0.927 193 Q HN 0.688 nan 8.270 nan 0.000 0.450 194 I N -4.160 116.480 120.570 0.117 0.000 3.023 194 I HA 0.770 4.938 4.170 -0.003 0.000 0.312 194 I C 0.017 176.172 176.117 0.064 0.000 1.056 194 I CA -1.037 60.269 61.300 0.009 0.000 1.033 194 I CB 1.855 39.691 38.000 -0.273 0.000 1.233 194 I HN -0.172 nan 8.210 nan 0.000 0.462 195 G N 0.468 109.345 108.800 0.129 0.000 2.660 195 G HA2 0.250 4.208 3.960 -0.003 0.000 0.294 195 G HA3 0.250 4.208 3.960 -0.003 0.000 0.294 195 G C -0.688 174.469 174.900 0.429 0.000 1.369 195 G CA -0.637 44.563 45.100 0.167 0.000 0.912 195 G HN 0.964 nan 8.290 nan 0.000 0.479 196 W N 1.310 122.677 121.300 0.113 0.000 2.378 196 W HA -0.001 4.657 4.660 -0.004 0.000 0.313 196 W C 0.921 177.451 176.519 0.018 0.000 1.197 196 W CA 2.027 59.319 57.345 -0.089 0.000 1.304 196 W CB -0.028 29.280 29.460 -0.252 0.000 1.148 196 W HN 0.447 nan 8.180 nan 0.000 0.494 197 V N 0.285 120.215 119.914 0.026 0.000 3.613 197 V HA 0.280 4.397 4.120 -0.003 0.000 0.283 197 V C 0.753 176.830 176.094 -0.029 0.000 1.052 197 V CA -1.209 61.032 62.300 -0.098 0.000 0.937 197 V CB -0.132 31.663 31.823 -0.048 0.000 1.241 197 V HN -0.056 nan 8.190 nan 0.000 0.429 198 I N 2.463 123.007 120.570 -0.043 0.000 2.618 198 I HA 0.282 4.450 4.170 -0.003 0.000 0.284 198 I C -2.155 173.959 176.117 -0.004 0.000 1.146 198 I CA -1.919 59.371 61.300 -0.018 0.000 1.425 198 I CB -0.203 37.764 38.000 -0.054 0.000 1.383 198 I HN 0.567 nan 8.210 nan 0.000 0.562 199 P HA 0.148 nan 4.420 nan 0.000 0.282 199 P C 0.117 177.329 177.300 -0.147 0.000 1.249 199 P CA -0.209 62.834 63.100 -0.094 0.000 0.806 199 P CB 1.045 32.632 31.700 -0.188 0.000 0.984 200 E N 1.774 121.956 120.200 -0.030 0.000 2.481 200 E HA -0.065 4.282 4.350 -0.003 0.000 0.198 200 E C -0.176 176.496 176.600 0.120 0.000 1.027 200 E CA -0.131 56.316 56.400 0.078 0.000 0.900 200 E CB -1.008 28.792 29.700 0.166 0.000 0.993 200 E HN 0.599 nan 8.360 nan 0.000 0.482 201 H N -0.524 118.689 119.070 0.238 0.000 2.791 201 H HA -0.142 4.412 4.556 -0.003 0.000 0.302 201 H C 1.208 176.695 175.328 0.265 0.000 1.198 201 H CA -0.008 56.222 56.048 0.303 0.000 1.145 201 H CB -1.590 28.357 29.762 0.308 0.000 1.385 201 H HN 0.441 nan 8.280 nan 0.000 0.409 202 G N 0.032 108.990 108.800 0.264 0.000 2.471 202 G HA2 -0.066 3.892 3.960 -0.003 0.000 0.219 202 G HA3 -0.066 3.892 3.960 -0.003 0.000 0.219 202 G C 1.716 176.626 174.900 0.016 0.000 1.125 202 G CA 0.640 45.850 45.100 0.182 0.000 0.775 202 G HN 0.615 nan 8.290 nan 0.000 0.548 203 A N 0.177 122.976 122.820 -0.036 0.000 1.969 203 A HA 0.066 4.384 4.320 -0.003 0.000 0.218 203 A C 2.086 179.246 177.584 -0.706 0.000 1.169 203 A CA 1.190 52.979 52.037 -0.413 0.000 0.635 203 A CB -0.488 18.316 19.000 -0.327 0.000 0.810 203 A HN 0.408 nan 8.150 nan 0.000 0.445 204 Y N 0.216 120.326 120.300 -0.317 0.000 2.145 204 Y HA -0.095 4.453 4.550 -0.004 0.000 0.286 204 Y C -0.123 175.594 175.900 -0.305 0.000 1.145 204 Y CA 1.941 59.818 58.100 -0.372 0.000 1.148 204 Y CB -1.656 36.584 38.460 -0.365 0.000 0.981 204 Y HN 0.299 nan 8.280 nan 0.000 0.507 205 P HA -0.111 nan 4.420 nan 0.000 0.217 205 P C 1.807 178.992 177.300 -0.193 0.000 1.150 205 P CA 2.093 65.147 63.100 -0.076 0.000 0.832 205 P CB -0.286 31.402 31.700 -0.020 0.000 0.787 206 G N 0.075 108.576 108.800 -0.497 0.000 2.421 206 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.216 206 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.216 206 G C 1.523 176.103 174.900 -0.533 0.000 1.171 206 G CA 0.603 45.257 45.100 -0.744 0.000 0.775 206 G HN 0.221 nan 8.290 nan 0.000 0.543 207 L N 0.026 120.890 121.223 -0.598 0.000 2.046 207 L HA -0.047 4.291 4.340 -0.003 0.000 0.208 207 L C 2.899 179.881 176.870 0.187 0.000 1.077 207 L CA 1.285 56.068 54.840 -0.095 0.000 0.747 207 L CB -0.472 41.432 42.059 -0.259 0.000 0.896 207 L HN 0.286 nan 8.230 nan 0.000 0.432 208 E N 0.283 120.526 120.200 0.072 0.000 2.077 208 E HA -0.224 4.124 4.350 -0.003 0.000 0.193 208 E C 2.312 179.020 176.600 0.181 0.000 0.989 208 E CA 1.210 57.741 56.400 0.218 0.000 0.800 208 E CB -0.205 29.573 29.700 0.130 0.000 0.746 208 E HN 0.498 nan 8.360 nan 0.000 0.452 209 A N 1.157 124.047 122.820 0.116 0.000 1.933 209 A HA -0.156 4.161 4.320 -0.003 0.000 0.218 209 A C 2.181 179.867 177.584 0.170 0.000 1.175 209 A CA 1.003 53.115 52.037 0.125 0.000 0.628 209 A CB -0.587 18.478 19.000 0.109 0.000 0.814 209 A HN 0.131 nan 8.150 nan 0.000 0.444 210 L N -0.756 120.611 121.223 0.239 0.000 2.046 210 L HA -0.200 4.138 4.340 -0.003 0.000 0.208 210 L C 2.649 179.691 176.870 0.287 0.000 1.077 210 L CA 1.972 56.972 54.840 0.266 0.000 0.747 210 L CB -0.554 41.700 42.059 0.325 0.000 0.896 210 L HN 0.452 nan 8.230 nan 0.000 0.432 211 K N 0.500 121.135 120.400 0.391 0.000 2.057 211 K HA -0.161 4.157 4.320 -0.003 0.000 0.207 211 K C 2.143 178.810 176.600 0.112 0.000 1.049 211 K CA 1.308 57.743 56.287 0.247 0.000 0.931 211 K CB -0.046 32.448 32.500 -0.011 0.000 0.714 211 K HN 0.262 nan 8.250 nan 0.000 0.440 212 A N 1.262 124.147 122.820 0.108 0.000 2.015 212 A HA -0.103 4.214 4.320 -0.003 0.000 0.219 212 A C 1.744 179.369 177.584 0.067 0.000 1.163 212 A CA 1.210 53.288 52.037 0.070 0.000 0.646 212 A CB -0.177 18.865 19.000 0.070 0.000 0.806 212 A HN 0.151 nan 8.150 nan 0.000 0.448 213 K N -1.146 119.304 120.400 0.084 0.000 2.432 213 K HA 0.054 4.372 4.320 -0.003 0.000 0.196 213 K C 1.166 177.801 176.600 0.058 0.000 1.038 213 K CA 0.745 57.072 56.287 0.068 0.000 0.986 213 K CB -0.377 32.167 32.500 0.074 0.000 0.782 213 K HN 0.760 nan 8.250 nan 0.000 0.485 214 G N 2.234 111.073 108.800 0.065 0.000 2.176 214 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.252 214 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.252 214 G C 0.151 175.078 174.900 0.045 0.000 1.024 214 G CA 0.608 45.739 45.100 0.052 0.000 0.755 214 G HN 0.239 nan 8.290 nan 0.000 0.507 215 T N 0.231 114.813 114.554 0.047 0.000 2.940 215 T HA 0.295 4.643 4.350 -0.003 0.000 0.309 215 T C 0.795 175.490 174.700 -0.009 0.000 1.056 215 T CA 0.610 62.718 62.100 0.013 0.000 1.137 215 T CB 1.074 69.945 68.868 0.006 0.000 0.976 215 T HN 0.544 nan 8.240 nan 0.000 0.547 216 K N 2.831 123.220 120.400 -0.017 0.000 2.339 216 K HA 0.327 4.645 4.320 -0.003 0.000 0.286 216 K C -1.011 175.547 176.600 -0.071 0.000 1.050 216 K CA -0.399 55.877 56.287 -0.019 0.000 0.956 216 K CB 0.315 32.818 32.500 0.006 0.000 0.990 216 K HN 0.297 nan 8.250 nan 0.000 0.475 217 V N 6.737 126.598 119.914 -0.089 0.000 2.459 217 V HA 0.426 4.544 4.120 -0.003 0.000 0.295 217 V C -0.215 175.858 176.094 -0.035 0.000 1.029 217 V CA -0.785 61.419 62.300 -0.160 0.000 0.874 217 V CB 1.409 33.001 31.823 -0.385 0.000 0.985 217 V HN 0.696 nan 8.190 nan 0.000 0.438 218 I N 4.645 125.201 120.570 -0.023 0.000 2.465 218 I HA 0.543 4.711 4.170 -0.003 0.000 0.291 218 I C -0.721 175.437 176.117 0.068 0.000 1.014 218 I CA -0.812 60.512 61.300 0.039 0.000 1.093 218 I CB 2.232 40.270 38.000 0.065 0.000 1.267 218 I HN 0.256 nan 8.210 nan 0.000 0.431 219 V N 7.165 127.147 119.914 0.114 0.000 2.448 219 V HA 0.458 4.576 4.120 -0.003 0.000 0.295 219 V C -0.130 176.029 176.094 0.108 0.000 1.025 219 V CA -0.451 61.942 62.300 0.155 0.000 0.859 219 V CB 1.894 33.814 31.823 0.162 0.000 0.988 219 V HN 0.463 nan 8.190 nan 0.000 0.431 220 I N 4.754 125.312 120.570 -0.020 0.000 2.371 220 I HA 0.555 4.723 4.170 -0.003 0.000 0.282 220 I C -0.811 175.321 176.117 0.024 0.000 1.031 220 I CA 0.088 61.292 61.300 -0.160 0.000 1.180 220 I CB 1.104 38.665 38.000 -0.732 0.000 1.336 220 I HN 0.559 nan 8.210 nan 0.000 0.467 221 D N 8.423 128.910 120.400 0.145 0.000 2.812 221 D HA 0.172 4.809 4.640 -0.003 0.000 0.210 221 D C -2.331 174.111 176.300 0.236 0.000 1.260 221 D CA -1.224 52.900 54.000 0.207 0.000 0.817 221 D CB 3.252 44.190 40.800 0.230 0.000 1.694 221 D HN 0.068 nan 8.370 nan 0.000 0.530 222 P HA -0.042 nan 4.420 nan 0.000 0.225 222 P C 0.519 177.928 177.300 0.182 0.000 1.148 222 P CA 0.425 63.595 63.100 0.117 0.000 0.779 222 P CB 0.503 32.252 31.700 0.081 0.000 0.780 223 V N 0.828 120.885 119.914 0.239 0.000 2.581 223 V HA 0.306 4.424 4.120 -0.003 0.000 0.303 223 V C 0.811 177.039 176.094 0.224 0.000 1.041 223 V CA -1.025 61.407 62.300 0.221 0.000 0.907 223 V CB 2.055 33.980 31.823 0.170 0.000 0.994 223 V HN -0.126 nan 8.190 nan 0.000 0.442 224 R N 3.000 123.611 120.500 0.185 0.000 2.612 224 R HA 0.251 4.588 4.340 -0.003 0.000 0.273 224 R C 0.481 176.773 176.300 -0.015 0.000 1.376 224 R CA -0.116 55.968 56.100 -0.027 0.000 1.171 224 R CB -0.015 30.334 30.300 0.081 0.000 1.151 224 R HN 0.991 nan 8.270 nan 0.000 0.560 225 T N -0.338 114.201 114.554 -0.026 0.000 2.771 225 T HA 0.183 4.531 4.350 -0.003 0.000 0.290 225 T C 1.070 175.807 174.700 0.063 0.000 1.005 225 T CA -0.639 61.499 62.100 0.063 0.000 0.944 225 T CB 1.070 69.997 68.868 0.099 0.000 1.147 225 T HN 0.444 nan 8.240 nan 0.000 0.534 226 K N -0.167 120.304 120.400 0.119 0.000 2.211 226 K HA -0.055 4.263 4.320 -0.003 0.000 0.203 226 K C 2.432 179.103 176.600 0.118 0.000 1.050 226 K CA 1.196 57.555 56.287 0.119 0.000 0.945 226 K CB -0.587 32.016 32.500 0.171 0.000 0.732 226 K HN 0.581 nan 8.250 nan 0.000 0.451 227 T N 1.371 115.981 114.554 0.094 0.000 2.684 227 T HA -0.126 4.222 4.350 -0.003 0.000 0.267 227 T C 2.081 176.922 174.700 0.234 0.000 1.036 227 T CA 1.307 63.476 62.100 0.116 0.000 1.148 227 T CB -0.250 68.612 68.868 -0.011 0.000 0.863 227 T HN -0.050 nan 8.240 nan 0.000 0.436 228 V N 1.655 121.637 119.914 0.114 0.000 2.252 228 V HA -0.245 3.873 4.120 -0.003 0.000 0.249 228 V C 2.460 178.621 176.094 0.111 0.000 1.056 228 V CA 1.971 64.312 62.300 0.069 0.000 1.022 228 V CB -0.711 31.008 31.823 -0.175 0.000 0.641 228 V HN 0.574 nan 8.190 nan 0.000 0.445 229 E N -0.559 119.689 120.200 0.080 0.000 2.077 229 E HA -0.245 4.103 4.350 -0.003 0.000 0.193 229 E C 2.022 178.672 176.600 0.083 0.000 0.989 229 E CA 1.606 58.049 56.400 0.073 0.000 0.800 229 E CB -0.311 29.425 29.700 0.061 0.000 0.746 229 E HN 0.611 nan 8.360 nan 0.000 0.452 230 F N 0.368 120.279 119.950 -0.064 0.000 2.134 230 F HA -0.166 4.359 4.527 -0.003 0.000 0.299 230 F C 1.516 177.172 175.800 -0.241 0.000 1.097 230 F CA 1.330 59.208 58.000 -0.204 0.000 1.264 230 F CB -0.064 38.704 39.000 -0.388 0.000 1.001 230 F HN -0.086 nan 8.300 nan 0.000 0.479 231 F N 0.484 120.411 119.950 -0.039 0.000 2.743 231 F HA 0.298 4.823 4.527 -0.004 0.000 0.297 231 F C 1.930 177.687 175.800 -0.071 0.000 1.131 231 F CA 0.547 58.481 58.000 -0.110 0.000 1.426 231 F CB -0.754 38.291 39.000 0.075 0.000 1.116 231 F HN 0.069 nan 8.300 nan 0.000 0.583 232 G N 1.209 110.073 108.800 0.108 0.000 2.323 232 G HA2 -0.141 3.817 3.960 -0.003 0.000 0.292 232 G HA3 -0.141 3.817 3.960 -0.003 0.000 0.292 232 G C 0.388 175.359 174.900 0.118 0.000 1.040 232 G CA 0.004 45.153 45.100 0.081 0.000 0.942 232 G HN 0.651 nan 8.290 nan 0.000 0.506 233 A N -0.500 122.418 122.820 0.164 0.000 2.386 233 A HA 0.597 4.915 4.320 -0.003 0.000 0.248 233 A C 0.716 178.371 177.584 0.118 0.000 1.082 233 A CA 0.450 52.573 52.037 0.144 0.000 0.789 233 A CB 0.375 19.478 19.000 0.172 0.000 1.025 233 A HN 0.972 nan 8.150 nan 0.000 0.490 234 E N 0.995 121.253 120.200 0.098 0.000 2.366 234 E HA 0.062 4.410 4.350 -0.003 0.000 0.266 234 E C -0.394 176.296 176.600 0.149 0.000 1.015 234 E CA 0.054 56.511 56.400 0.096 0.000 0.906 234 E CB 0.153 29.886 29.700 0.056 0.000 0.979 234 E HN 0.727 nan 8.360 nan 0.000 0.443 235 H N 6.401 125.485 119.070 0.022 0.000 2.551 235 H HA 0.260 4.814 4.556 -0.004 0.000 0.321 235 H C -0.755 174.567 175.328 -0.011 0.000 1.028 235 H CA -1.167 54.892 56.048 0.019 0.000 1.215 235 H CB 0.624 30.411 29.762 0.041 0.000 1.414 235 H HN 0.429 nan 8.280 nan 0.000 0.480 236 I N 5.077 125.633 120.570 -0.024 0.000 2.359 236 I HA 0.077 4.245 4.170 -0.003 0.000 0.294 236 I C 0.569 176.536 176.117 -0.250 0.000 0.987 236 I CA -0.539 60.660 61.300 -0.169 0.000 1.225 236 I CB 1.388 39.299 38.000 -0.148 0.000 1.366 236 I HN 0.624 nan 8.210 nan 0.000 0.466 237 T N 4.374 118.761 114.554 -0.277 0.000 3.053 237 T HA 0.494 4.842 4.350 -0.003 0.000 0.363 237 T C -2.383 172.246 174.700 -0.117 0.000 1.239 237 T CA -1.684 60.287 62.100 -0.216 0.000 1.071 237 T CB 0.967 69.674 68.868 -0.268 0.000 1.089 237 T HN 0.340 nan 8.240 nan 0.000 0.527 238 P HA 0.320 nan 4.420 nan 0.000 0.277 238 P C -0.445 176.828 177.300 -0.044 0.000 1.240 238 P CA -0.701 62.369 63.100 -0.050 0.000 0.798 238 P CB 1.101 32.803 31.700 0.003 0.000 0.979 239 K N 2.722 123.088 120.400 -0.056 0.000 2.451 239 K HA 0.153 4.471 4.320 -0.003 0.000 0.280 239 K C -2.103 174.453 176.600 -0.072 0.000 1.020 239 K CA -1.199 55.051 56.287 -0.062 0.000 1.008 239 K CB -0.685 31.785 32.500 -0.051 0.000 0.917 239 K HN 0.362 nan 8.250 nan 0.000 0.478 240 P HA -0.111 nan 4.420 nan 0.000 0.265 240 P C -0.697 176.528 177.300 -0.125 0.000 1.187 240 P CA 0.552 63.493 63.100 -0.266 0.000 0.766 240 P CB 0.449 31.594 31.700 -0.925 0.000 0.820 241 Q N -0.784 119.035 119.800 0.032 0.000 2.429 241 Q HA -0.184 4.154 4.340 -0.003 0.000 0.232 241 Q C 0.390 176.564 176.000 0.290 0.000 0.724 241 Q CA 1.407 57.311 55.803 0.169 0.000 1.287 241 Q CB -2.833 26.020 28.738 0.191 0.000 1.429 241 Q HN 0.704 nan 8.270 nan 0.000 0.721 242 T N -4.915 109.760 114.554 0.202 0.000 3.129 242 T HA 0.203 4.551 4.350 -0.003 0.000 0.267 242 T C 0.594 175.366 174.700 0.120 0.000 1.018 242 T CA 0.401 62.590 62.100 0.148 0.000 0.903 242 T CB 0.291 69.123 68.868 -0.060 0.000 1.067 242 T HN 0.119 nan 8.240 nan 0.000 0.549 243 D N 1.807 122.337 120.400 0.217 0.000 2.123 243 D HA -0.090 4.548 4.640 -0.003 0.000 0.196 243 D C 2.024 178.455 176.300 0.219 0.000 0.992 243 D CA 0.886 55.057 54.000 0.286 0.000 0.833 243 D CB -0.239 40.764 40.800 0.339 0.000 0.954 243 D HN 0.241 nan 8.370 nan 0.000 0.455 244 V N 0.965 121.013 119.914 0.224 0.000 2.332 244 V HA -0.289 3.829 4.120 -0.003 0.000 0.248 244 V C 2.393 178.632 176.094 0.243 0.000 1.055 244 V CA 1.891 64.340 62.300 0.248 0.000 1.038 244 V CB -0.787 31.266 31.823 0.384 0.000 0.651 244 V HN 0.282 nan 8.190 nan 0.000 0.450 245 A N -0.248 122.611 122.820 0.065 0.000 1.902 245 A HA -0.178 4.140 4.320 -0.003 0.000 0.217 245 A C 2.170 179.747 177.584 -0.011 0.000 1.181 245 A CA 1.896 53.825 52.037 -0.179 0.000 0.623 245 A CB -0.533 17.855 19.000 -1.020 0.000 0.818 245 A HN 0.517 nan 8.150 nan 0.000 0.443 246 I N -0.768 119.818 120.570 0.027 0.000 2.226 246 I HA -0.325 3.843 4.170 -0.003 0.000 0.245 246 I C 2.697 178.955 176.117 0.234 0.000 1.100 246 I CA 1.691 63.064 61.300 0.121 0.000 1.374 246 I CB -0.314 37.809 38.000 0.205 0.000 1.057 246 I HN 0.355 nan 8.210 nan 0.000 0.413 247 M N -0.114 119.650 119.600 0.274 0.000 2.175 247 M HA -0.187 4.291 4.480 -0.003 0.000 0.264 247 M C 2.297 178.739 176.300 0.236 0.000 1.063 247 M CA 1.730 57.183 55.300 0.255 0.000 1.119 247 M CB -0.315 32.347 32.600 0.103 0.000 1.377 247 M HN 0.221 nan 8.290 nan 0.000 0.415 248 L N -0.519 120.859 121.223 0.258 0.000 2.056 248 L HA -0.093 4.245 4.340 -0.003 0.000 0.207 248 L C 2.694 179.704 176.870 0.234 0.000 1.078 248 L CA 1.282 56.285 54.840 0.272 0.000 0.749 248 L CB -1.146 41.099 42.059 0.310 0.000 0.901 248 L HN 0.398 nan 8.230 nan 0.000 0.433 249 G N -0.589 108.357 108.800 0.242 0.000 2.422 249 G HA2 -0.228 3.729 3.960 -0.003 0.000 0.218 249 G HA3 -0.228 3.729 3.960 -0.003 0.000 0.218 249 G C 1.637 176.639 174.900 0.170 0.000 1.140 249 G CA 0.512 45.725 45.100 0.188 0.000 0.775 249 G HN 0.188 nan 8.290 nan 0.000 0.545 250 M N 0.702 120.405 119.600 0.172 0.000 2.099 250 M HA 0.043 4.521 4.480 -0.003 0.000 0.262 250 M C 3.076 179.472 176.300 0.160 0.000 1.067 250 M CA 1.373 56.764 55.300 0.153 0.000 1.124 250 M CB -0.209 32.508 32.600 0.195 0.000 1.353 250 M HN 0.295 nan 8.290 nan 0.000 0.410 251 A N -0.445 122.486 122.820 0.187 0.000 1.902 251 A HA -0.239 4.079 4.320 -0.003 0.000 0.217 251 A C 2.059 179.709 177.584 0.111 0.000 1.181 251 A CA 1.859 53.999 52.037 0.172 0.000 0.623 251 A CB -1.262 17.887 19.000 0.249 0.000 0.818 251 A HN 0.576 nan 8.150 nan 0.000 0.443 252 H N 0.136 119.224 119.070 0.030 0.000 2.319 252 H HA -0.123 4.431 4.556 -0.004 0.000 0.299 252 H C 2.007 177.338 175.328 0.004 0.000 1.092 252 H CA 2.206 58.237 56.048 -0.028 0.000 1.302 252 H CB -0.441 29.283 29.762 -0.063 0.000 1.373 252 H HN 0.413 nan 8.280 nan 0.000 0.497 253 T N 1.830 116.480 114.554 0.161 0.000 2.720 253 T HA -0.120 4.227 4.350 -0.003 0.000 0.268 253 T C 2.456 177.180 174.700 0.041 0.000 1.037 253 T CA 1.353 63.514 62.100 0.100 0.000 1.144 253 T CB -0.300 68.626 68.868 0.096 0.000 0.864 253 T HN 0.253 nan 8.240 nan 0.000 0.444 254 L N 0.499 121.760 121.223 0.063 0.000 2.141 254 L HA -0.056 4.282 4.340 -0.003 0.000 0.209 254 L C 2.572 179.528 176.870 0.144 0.000 1.094 254 L CA 0.720 55.626 54.840 0.111 0.000 0.763 254 L CB -0.532 41.614 42.059 0.146 0.000 0.908 254 L HN 0.164 nan 8.230 nan 0.000 0.437 255 V N -0.229 119.689 119.914 0.007 0.000 2.346 255 V HA -0.154 3.964 4.120 -0.003 0.000 0.244 255 V C 2.694 178.775 176.094 -0.022 0.000 1.037 255 V CA 1.592 63.892 62.300 -0.000 0.000 1.029 255 V CB -0.564 31.150 31.823 -0.182 0.000 0.663 255 V HN 0.430 nan 8.190 nan 0.000 0.454 256 A N -0.234 122.485 122.820 -0.167 0.000 1.933 256 A HA -0.207 4.110 4.320 -0.003 0.000 0.218 256 A C 1.992 179.565 177.584 -0.019 0.000 1.175 256 A CA 1.699 53.659 52.037 -0.128 0.000 0.628 256 A CB -0.373 18.531 19.000 -0.160 0.000 0.814 256 A HN 0.641 nan 8.150 nan 0.000 0.444 257 E N -0.987 119.222 120.200 0.014 0.000 2.479 257 E HA 0.060 4.408 4.350 -0.003 0.000 0.193 257 E C -0.386 176.241 176.600 0.046 0.000 1.049 257 E CA 0.204 56.622 56.400 0.030 0.000 0.870 257 E CB 0.041 29.760 29.700 0.031 0.000 0.944 257 E HN 0.496 nan 8.360 nan 0.000 0.492 258 D N 0.185 120.633 120.400 0.080 0.000 2.689 258 D HA -0.197 4.441 4.640 -0.003 0.000 0.237 258 D C 0.162 176.495 176.300 0.055 0.000 1.148 258 D CA 0.429 54.483 54.000 0.090 0.000 0.656 258 D CB -1.046 39.775 40.800 0.035 0.000 1.050 258 D HN 0.265 nan 8.370 nan 0.000 0.426 259 L N -0.393 120.897 121.223 0.112 0.000 2.515 259 L HA 0.126 4.464 4.340 -0.003 0.000 0.223 259 L C 1.284 178.200 176.870 0.077 0.000 1.079 259 L CA -0.427 54.455 54.840 0.071 0.000 0.857 259 L CB -0.197 41.911 42.059 0.082 0.000 1.050 259 L HN 0.308 nan 8.230 nan 0.000 0.476 260 Y N -0.761 119.550 120.300 0.018 0.000 2.385 260 Y HA 0.139 4.687 4.550 -0.004 0.000 0.346 260 Y C 0.306 176.205 175.900 -0.001 0.000 1.270 260 Y CA -1.228 56.878 58.100 0.010 0.000 1.472 260 Y CB -0.042 38.423 38.460 0.009 0.000 1.354 260 Y HN -0.120 nan 8.280 nan 0.000 0.611 261 D N 2.171 122.589 120.400 0.029 0.000 2.453 261 D HA 0.087 4.725 4.640 -0.003 0.000 0.223 261 D C 0.277 176.526 176.300 -0.085 0.000 1.183 261 D CA -0.032 53.943 54.000 -0.042 0.000 0.933 261 D CB 0.512 41.346 40.800 0.058 0.000 1.038 261 D HN 0.738 nan 8.370 nan 0.000 0.513 262 K N 1.838 122.043 120.400 -0.324 0.000 2.097 262 K HA -0.118 4.200 4.320 -0.003 0.000 0.206 262 K C 1.030 177.601 176.600 -0.048 0.000 1.049 262 K CA 0.911 57.053 56.287 -0.243 0.000 0.933 262 K CB 0.366 32.692 32.500 -0.290 0.000 0.717 262 K HN 0.392 nan 8.250 nan 0.000 0.442 263 D N 0.468 120.861 120.400 -0.011 0.000 2.117 263 D HA -0.152 4.486 4.640 -0.003 0.000 0.198 263 D C 1.710 178.074 176.300 0.105 0.000 0.982 263 D CA 0.893 54.910 54.000 0.029 0.000 0.828 263 D CB -0.275 40.547 40.800 0.037 0.000 0.967 263 D HN 0.076 nan 8.370 nan 0.000 0.464 264 F N 1.674 121.672 119.950 0.079 0.000 2.095 264 F HA -0.202 4.323 4.527 -0.004 0.000 0.298 264 F C 2.175 178.083 175.800 0.179 0.000 1.104 264 F CA 1.033 59.151 58.000 0.196 0.000 1.232 264 F CB -0.040 39.002 39.000 0.070 0.000 0.987 264 F HN -0.170 nan 8.300 nan 0.000 0.475 265 I N 0.653 121.367 120.570 0.239 0.000 2.163 265 I HA -0.300 3.868 4.170 -0.003 0.000 0.243 265 I C 2.723 178.852 176.117 0.020 0.000 1.085 265 I CA 1.602 62.964 61.300 0.103 0.000 1.347 265 I CB -2.054 35.912 38.000 -0.057 0.000 1.044 265 I HN 0.249 nan 8.210 nan 0.000 0.408 266 A N 0.731 123.547 122.820 -0.005 0.000 1.930 266 A HA -0.162 4.156 4.320 -0.003 0.000 0.217 266 A C 1.982 179.488 177.584 -0.129 0.000 1.175 266 A CA 1.617 53.632 52.037 -0.037 0.000 0.627 266 A CB -0.433 18.545 19.000 -0.036 0.000 0.815 266 A HN 0.473 nan 8.150 nan 0.000 0.443 267 N N -2.385 116.157 118.700 -0.263 0.000 2.322 267 N HA 0.084 4.822 4.740 -0.003 0.000 0.181 267 N C 0.210 175.263 175.510 -0.761 0.000 1.088 267 N CA 0.706 53.439 53.050 -0.528 0.000 0.885 267 N CB 0.154 38.196 38.487 -0.741 0.000 1.013 267 N HN 0.606 nan 8.380 nan 0.000 0.472 268 Y N 0.058 120.099 120.300 -0.431 0.000 2.527 268 Y HA 0.201 4.749 4.550 -0.004 0.000 0.247 268 Y C 0.882 176.738 175.900 -0.073 0.000 1.138 268 Y CA -0.357 57.486 58.100 -0.427 0.000 1.228 268 Y CB 0.608 38.360 38.460 -1.180 0.000 1.252 268 Y HN -0.119 nan 8.280 nan 0.000 0.531 269 T N -3.197 111.399 114.554 0.071 0.000 2.901 269 T HA 0.698 5.045 4.350 -0.003 0.000 0.293 269 T C -0.606 174.182 174.700 0.147 0.000 1.084 269 T CA -0.948 61.253 62.100 0.168 0.000 1.008 269 T CB 2.222 71.217 68.868 0.212 0.000 1.170 269 T HN -0.124 nan 8.240 nan 0.000 0.509 270 S N -0.873 114.937 115.700 0.183 0.000 2.538 270 S HA 0.643 5.111 4.470 -0.003 0.000 0.288 270 S C 0.886 175.624 174.600 0.230 0.000 1.108 270 S CA 0.502 58.808 58.200 0.177 0.000 0.971 270 S CB 0.653 63.945 63.200 0.153 0.000 1.041 270 S HN 2.343 nan 8.310 nan 0.000 0.483 271 G N 3.299 112.229 108.800 0.218 0.000 2.157 271 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.239 271 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.239 271 G C 0.542 175.586 174.900 0.239 0.000 0.982 271 G CA 0.334 45.573 45.100 0.232 0.000 0.650 271 G HN 0.833 nan 8.290 nan 0.000 0.527 272 F N 2.643 122.671 119.950 0.129 0.000 2.216 272 F HA -0.041 4.484 4.527 -0.004 0.000 0.300 272 F C 2.430 178.301 175.800 0.119 0.000 1.085 272 F CA 2.294 60.383 58.000 0.148 0.000 1.326 272 F CB 0.086 39.174 39.000 0.147 0.000 1.027 272 F HN 0.361 nan 8.300 nan 0.000 0.497 273 D N -0.133 120.318 120.400 0.084 0.000 2.264 273 D HA -0.199 4.439 4.640 -0.003 0.000 0.208 273 D C 1.494 177.709 176.300 -0.142 0.000 0.966 273 D CA 1.080 55.054 54.000 -0.042 0.000 0.864 273 D CB -0.606 40.204 40.800 0.017 0.000 0.933 273 D HN 0.373 nan 8.370 nan 0.000 0.499 274 K N -1.007 119.307 120.400 -0.145 0.000 2.379 274 K HA 0.061 4.379 4.320 -0.003 0.000 0.194 274 K C 1.415 177.906 176.600 -0.180 0.000 1.031 274 K CA -0.052 56.103 56.287 -0.221 0.000 1.037 274 K CB 0.114 32.305 32.500 -0.515 0.000 0.824 274 K HN 0.077 nan 8.250 nan 0.000 0.516 275 F N 1.163 120.877 119.950 -0.393 0.000 2.374 275 F HA 0.051 4.576 4.527 -0.003 0.000 0.291 275 F C 1.685 177.171 175.800 -0.524 0.000 1.084 275 F CA 0.109 57.767 58.000 -0.569 0.000 1.413 275 F CB -0.037 38.673 39.000 -0.484 0.000 1.099 275 F HN -0.178 nan 8.300 nan 0.000 0.534 276 L N 1.849 122.656 121.223 -0.694 0.000 2.013 276 L HA -0.132 4.206 4.340 -0.003 0.000 0.212 276 L C -0.795 175.789 176.870 -0.477 0.000 1.073 276 L CA 2.408 56.847 54.840 -0.669 0.000 0.753 276 L CB -1.874 39.871 42.059 -0.523 0.000 0.890 276 L HN 0.007 nan 8.230 nan 0.000 0.432 277 P HA -0.229 nan 4.420 nan 0.000 0.216 277 P C 1.374 178.523 177.300 -0.252 0.000 1.150 277 P CA 1.493 64.450 63.100 -0.239 0.000 0.837 277 P CB -0.271 31.333 31.700 -0.160 0.000 0.786 278 Y N 0.457 120.493 120.300 -0.441 0.000 2.163 278 Y HA -0.138 4.410 4.550 -0.003 0.000 0.288 278 Y C 2.127 177.736 175.900 -0.485 0.000 1.136 278 Y CA 1.109 58.963 58.100 -0.410 0.000 1.147 278 Y CB -1.105 37.079 38.460 -0.460 0.000 0.987 278 Y HN -0.229 nan 8.280 nan 0.000 0.509 279 L N 0.710 121.470 121.223 -0.773 0.000 2.046 279 L HA -0.191 4.147 4.340 -0.003 0.000 0.208 279 L C 1.560 178.154 176.870 -0.460 0.000 1.077 279 L CA 2.212 56.607 54.840 -0.742 0.000 0.747 279 L CB -0.845 40.760 42.059 -0.757 0.000 0.896 279 L HN 0.192 nan 8.230 nan 0.000 0.432 280 D N -0.308 119.877 120.400 -0.358 0.000 2.363 280 D HA 0.119 4.757 4.640 -0.003 0.000 0.220 280 D C 1.613 177.770 176.300 -0.238 0.000 0.994 280 D CA 0.989 54.866 54.000 -0.205 0.000 0.890 280 D CB 0.021 40.714 40.800 -0.178 0.000 0.906 280 D HN 0.514 nan 8.370 nan 0.000 0.530 281 G N 1.276 109.869 108.800 -0.344 0.000 2.136 281 G HA2 -0.337 3.621 3.960 -0.003 0.000 0.242 281 G HA3 -0.337 3.621 3.960 -0.003 0.000 0.242 281 G C 0.889 175.673 174.900 -0.193 0.000 0.989 281 G CA 0.380 45.296 45.100 -0.307 0.000 0.682 281 G HN 0.364 nan 8.290 nan 0.000 0.522 282 E N -0.331 119.769 120.200 -0.167 0.000 2.152 282 E HA -0.068 4.280 4.350 -0.003 0.000 0.192 282 E C 2.689 179.240 176.600 -0.081 0.000 0.983 282 E CA 1.609 57.943 56.400 -0.111 0.000 0.818 282 E CB -0.106 29.533 29.700 -0.103 0.000 0.758 282 E HN 0.714 nan 8.360 nan 0.000 0.467 283 T N -0.574 113.938 114.554 -0.071 0.000 3.014 283 T HA -0.071 4.277 4.350 -0.003 0.000 0.263 283 T C 1.088 175.780 174.700 -0.013 0.000 1.078 283 T CA 1.171 63.261 62.100 -0.017 0.000 1.135 283 T CB 0.062 68.962 68.868 0.052 0.000 0.895 283 T HN 0.107 nan 8.240 nan 0.000 0.480 284 D N -0.774 119.595 120.400 -0.051 0.000 2.562 284 D HA 0.240 4.878 4.640 -0.003 0.000 0.246 284 D C 0.413 176.667 176.300 -0.075 0.000 1.347 284 D CA -0.105 53.870 54.000 -0.041 0.000 0.800 284 D CB -0.327 40.464 40.800 -0.014 0.000 1.111 284 D HN 0.213 nan 8.370 nan 0.000 0.508 285 S N -0.958 114.683 115.700 -0.098 0.000 3.476 285 S HA -0.141 4.327 4.470 -0.003 0.000 0.309 285 S C -0.031 174.486 174.600 -0.139 0.000 1.222 285 S CA 1.236 59.377 58.200 -0.099 0.000 0.922 285 S CB -1.935 61.230 63.200 -0.058 0.000 1.023 285 S HN 0.547 nan 8.310 nan 0.000 0.591 286 T N 2.323 116.742 114.554 -0.225 0.000 3.141 286 T HA 0.404 4.752 4.350 -0.003 0.000 0.377 286 T C -2.899 171.491 174.700 -0.518 0.000 1.258 286 T CA -1.148 60.754 62.100 -0.330 0.000 1.263 286 T CB 1.538 70.199 68.868 -0.345 0.000 1.066 286 T HN -0.098 nan 8.240 nan 0.000 0.546 287 P HA 0.101 nan 4.420 nan 0.000 0.264 287 P C -0.004 176.880 177.300 -0.694 0.000 1.193 287 P CA -0.418 62.412 63.100 -0.449 0.000 0.763 287 P CB 0.520 32.050 31.700 -0.283 0.000 0.810 288 K N 2.226 122.168 120.400 -0.762 0.000 3.006 288 K HA 0.124 4.442 4.320 -0.003 0.000 0.262 288 K C 0.672 177.013 176.600 -0.432 0.000 1.289 288 K CA 0.077 55.839 56.287 -0.875 0.000 1.245 288 K CB -1.199 30.803 32.500 -0.830 0.000 1.614 288 K HN 0.495 nan 8.250 nan 0.000 0.322 289 T N -3.118 111.140 114.554 -0.492 0.000 2.766 289 T HA 0.292 4.640 4.350 -0.003 0.000 0.295 289 T C 1.637 176.322 174.700 -0.026 0.000 1.024 289 T CA -0.110 61.696 62.100 -0.491 0.000 1.018 289 T CB 1.221 69.847 68.868 -0.404 0.000 1.002 289 T HN 0.209 nan 8.240 nan 0.000 0.532 290 A N 0.594 123.409 122.820 -0.008 0.000 1.940 290 A HA -0.083 4.235 4.320 -0.003 0.000 0.219 290 A C 2.205 179.782 177.584 -0.011 0.000 1.176 290 A CA 1.850 53.899 52.037 0.020 0.000 0.631 290 A CB -1.092 17.919 19.000 0.018 0.000 0.814 290 A HN 0.929 nan 8.150 nan 0.000 0.446 291 E N -1.341 118.851 120.200 -0.014 0.000 2.072 291 E HA -0.188 4.160 4.350 -0.003 0.000 0.191 291 E C 1.571 178.160 176.600 -0.018 0.000 0.985 291 E CA 1.336 57.721 56.400 -0.025 0.000 0.801 291 E CB -0.394 29.296 29.700 -0.018 0.000 0.750 291 E HN 0.866 nan 8.360 nan 0.000 0.452 292 W N 1.451 122.651 121.300 -0.166 0.000 2.338 292 W HA -0.194 4.464 4.660 -0.004 0.000 0.304 292 W C 2.233 178.634 176.519 -0.196 0.000 1.212 292 W CA 2.222 59.460 57.345 -0.178 0.000 1.264 292 W CB -0.403 28.931 29.460 -0.211 0.000 1.142 292 W HN 0.049 nan 8.180 nan 0.000 0.512 293 A N 0.144 122.795 122.820 -0.282 0.000 1.972 293 A HA -0.243 4.075 4.320 -0.003 0.000 0.219 293 A C 2.000 179.311 177.584 -0.455 0.000 1.169 293 A CA 1.893 53.593 52.037 -0.562 0.000 0.635 293 A CB -1.083 17.814 19.000 -0.172 0.000 0.810 293 A HN 0.587 nan 8.150 nan 0.000 0.446 294 E N -0.290 119.746 120.200 -0.273 0.000 2.077 294 E HA -0.116 4.232 4.350 -0.003 0.000 0.193 294 E C 2.016 178.466 176.600 -0.249 0.000 0.989 294 E CA 1.102 57.375 56.400 -0.213 0.000 0.800 294 E CB -0.487 29.133 29.700 -0.133 0.000 0.746 294 E HN 0.474 nan 8.360 nan 0.000 0.452 295 G N 0.875 109.501 108.800 -0.289 0.000 2.432 295 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.219 295 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.219 295 G C 1.534 176.245 174.900 -0.315 0.000 1.135 295 G CA 0.854 45.797 45.100 -0.262 0.000 0.767 295 G HN 0.272 nan 8.290 nan 0.000 0.550 296 I N 0.976 121.244 120.570 -0.503 0.000 2.429 296 I HA -0.057 4.111 4.170 -0.003 0.000 0.247 296 I C 2.948 178.863 176.117 -0.336 0.000 1.099 296 I CA 1.332 62.343 61.300 -0.480 0.000 1.422 296 I CB 0.068 37.537 38.000 -0.885 0.000 1.112 296 I HN 0.303 nan 8.210 nan 0.000 0.430 297 S N -0.111 115.383 115.700 -0.343 0.000 2.486 297 S HA 0.179 4.647 4.470 -0.003 0.000 0.220 297 S C 1.771 176.279 174.600 -0.152 0.000 1.011 297 S CA 0.538 58.608 58.200 -0.217 0.000 0.921 297 S CB 0.539 63.618 63.200 -0.202 0.000 0.785 297 S HN 0.563 nan 8.310 nan 0.000 0.517 298 G N 0.503 109.207 108.800 -0.159 0.000 2.176 298 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.253 298 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.253 298 G C 0.065 174.898 174.900 -0.111 0.000 0.979 298 G CA 0.116 45.144 45.100 -0.120 0.000 0.641 298 G HN 0.720 nan 8.290 nan 0.000 0.530 299 V N 2.581 122.424 119.914 -0.118 0.000 2.461 299 V HA 0.408 4.526 4.120 -0.003 0.000 0.275 299 V C -1.499 174.537 176.094 -0.097 0.000 1.047 299 V CA -1.417 60.820 62.300 -0.104 0.000 0.955 299 V CB 1.340 33.102 31.823 -0.102 0.000 0.988 299 V HN 0.116 nan 8.190 nan 0.000 0.471 300 P HA 0.038 nan 4.420 nan 0.000 0.262 300 P C 0.660 177.920 177.300 -0.068 0.000 1.182 300 P CA 0.250 63.307 63.100 -0.072 0.000 0.761 300 P CB 0.665 32.328 31.700 -0.061 0.000 0.795 301 A N 4.302 127.085 122.820 -0.062 0.000 1.927 301 A HA -0.257 4.061 4.320 -0.003 0.000 0.220 301 A C 2.023 179.583 177.584 -0.040 0.000 1.185 301 A CA 1.611 53.619 52.037 -0.049 0.000 0.639 301 A CB -0.887 18.090 19.000 -0.040 0.000 0.820 301 A HN 0.491 nan 8.150 nan 0.000 0.451 302 E N -0.778 119.397 120.200 -0.041 0.000 2.208 302 E HA -0.083 4.265 4.350 -0.003 0.000 0.193 302 E C 2.100 178.669 176.600 -0.052 0.000 0.988 302 E CA 1.380 57.756 56.400 -0.039 0.000 0.828 302 E CB -0.419 29.260 29.700 -0.034 0.000 0.763 302 E HN 0.629 nan 8.360 nan 0.000 0.478 303 T N 1.321 115.838 114.554 -0.061 0.000 2.777 303 T HA -0.042 4.306 4.350 -0.003 0.000 0.266 303 T C 2.085 176.727 174.700 -0.098 0.000 1.040 303 T CA 0.681 62.734 62.100 -0.079 0.000 1.141 303 T CB -0.108 68.712 68.868 -0.080 0.000 0.868 303 T HN 0.124 nan 8.240 nan 0.000 0.444 304 I N 0.945 121.467 120.570 -0.080 0.000 2.151 304 I HA -0.261 3.907 4.170 -0.003 0.000 0.243 304 I C 2.537 178.609 176.117 -0.075 0.000 1.080 304 I CA 1.551 62.809 61.300 -0.070 0.000 1.339 304 I CB -0.320 37.661 38.000 -0.033 0.000 1.039 304 I HN 0.232 nan 8.210 nan 0.000 0.409 305 K N 0.586 120.955 120.400 -0.051 0.000 2.026 305 K HA -0.195 4.123 4.320 -0.003 0.000 0.208 305 K C 2.005 178.556 176.600 -0.082 0.000 1.048 305 K CA 1.540 57.802 56.287 -0.043 0.000 0.929 305 K CB -0.210 32.280 32.500 -0.017 0.000 0.713 305 K HN 0.387 nan 8.250 nan 0.000 0.439 306 E N 0.588 120.731 120.200 -0.095 0.000 2.110 306 E HA -0.179 4.169 4.350 -0.003 0.000 0.193 306 E C 1.905 178.384 176.600 -0.202 0.000 0.988 306 E CA 0.694 57.027 56.400 -0.113 0.000 0.804 306 E CB 0.007 29.653 29.700 -0.089 0.000 0.745 306 E HN 0.068 nan 8.360 nan 0.000 0.458 307 L N 0.794 121.840 121.223 -0.296 0.000 2.046 307 L HA -0.132 4.206 4.340 -0.003 0.000 0.208 307 L C 2.345 178.711 176.870 -0.841 0.000 1.077 307 L CA 1.790 56.254 54.840 -0.627 0.000 0.747 307 L CB -1.271 40.421 42.059 -0.612 0.000 0.896 307 L HN 0.055 nan 8.230 nan 0.000 0.432 308 A N -0.510 122.053 122.820 -0.428 0.000 1.883 308 A HA -0.244 4.074 4.320 -0.003 0.000 0.217 308 A C 2.437 179.954 177.584 -0.112 0.000 1.186 308 A CA 1.807 53.721 52.037 -0.205 0.000 0.624 308 A CB -0.468 18.508 19.000 -0.039 0.000 0.822 308 A HN 0.401 nan 8.150 nan 0.000 0.444 309 R N -1.182 119.259 120.500 -0.098 0.000 2.081 309 R HA -0.081 4.256 4.340 -0.003 0.000 0.235 309 R C 2.152 178.440 176.300 -0.021 0.000 1.131 309 R CA 1.368 57.448 56.100 -0.034 0.000 0.960 309 R CB -0.576 29.706 30.300 -0.032 0.000 0.856 309 R HN 0.504 nan 8.270 nan 0.000 0.436 310 L N 0.269 121.444 121.223 -0.080 0.000 2.017 310 L HA -0.132 4.206 4.340 -0.003 0.000 0.208 310 L C 1.828 178.793 176.870 0.159 0.000 1.073 310 L CA 1.705 56.545 54.840 0.000 0.000 0.745 310 L CB -0.351 41.682 42.059 -0.042 0.000 0.894 310 L HN -0.015 nan 8.230 nan 0.000 0.432 311 F N 0.149 120.110 119.950 0.018 0.000 2.171 311 F HA -0.152 4.373 4.527 -0.003 0.000 0.300 311 F C 2.618 178.427 175.800 0.015 0.000 1.090 311 F CA 1.361 59.373 58.000 0.021 0.000 1.293 311 F CB -1.177 37.852 39.000 0.048 0.000 1.013 311 F HN 0.273 nan 8.300 nan 0.000 0.486 312 E N 0.393 120.714 120.200 0.201 0.000 2.208 312 E HA -0.117 4.231 4.350 -0.003 0.000 0.193 312 E C 2.006 178.651 176.600 0.074 0.000 0.988 312 E CA 1.256 57.726 56.400 0.118 0.000 0.828 312 E CB -0.192 29.565 29.700 0.096 0.000 0.763 312 E HN 0.242 nan 8.360 nan 0.000 0.478 313 S N -1.294 114.449 115.700 0.072 0.000 2.535 313 S HA 0.228 4.696 4.470 -0.003 0.000 0.214 313 S C 0.539 175.163 174.600 0.041 0.000 0.980 313 S CA -0.477 57.750 58.200 0.045 0.000 0.907 313 S CB 0.355 63.576 63.200 0.034 0.000 0.790 313 S HN -0.134 nan 8.310 nan 0.000 0.510 314 K N 1.333 121.767 120.400 0.056 0.000 2.395 314 K HA 0.455 4.772 4.320 -0.003 0.000 0.247 314 K C -0.934 175.678 176.600 0.019 0.000 0.973 314 K CA -0.885 55.425 56.287 0.038 0.000 0.828 314 K CB 1.428 33.959 32.500 0.052 0.000 1.272 314 K HN 0.045 nan 8.250 nan 0.000 0.439 315 R N 0.934 121.432 120.500 -0.003 0.000 2.345 315 R HA 0.146 4.483 4.340 -0.003 0.000 0.331 315 R C -0.887 175.384 176.300 -0.049 0.000 1.067 315 R CA 0.575 56.659 56.100 -0.027 0.000 0.962 315 R CB -0.544 29.739 30.300 -0.029 0.000 0.987 315 R HN 0.423 nan 8.270 nan 0.000 0.451 316 T N 5.575 120.086 114.554 -0.071 0.000 2.807 316 T HA 0.370 4.718 4.350 -0.003 0.000 0.279 316 T C -0.686 173.915 174.700 -0.166 0.000 0.993 316 T CA -0.585 61.434 62.100 -0.134 0.000 0.970 316 T CB 1.103 69.875 68.868 -0.160 0.000 0.950 316 T HN 0.491 nan 8.240 nan 0.000 0.441 317 M N 4.532 124.011 119.600 -0.201 0.000 2.149 317 M HA 0.472 4.950 4.480 -0.003 0.000 0.342 317 M C -1.518 174.663 176.300 -0.198 0.000 1.068 317 M CA -0.939 54.253 55.300 -0.179 0.000 0.991 317 M CB 0.168 32.635 32.600 -0.222 0.000 1.596 317 M HN 0.482 nan 8.290 nan 0.000 0.439 318 L N 5.602 126.777 121.223 -0.081 0.000 2.302 318 L HA 0.562 4.899 4.340 -0.003 0.000 0.285 318 L C -0.034 176.909 176.870 0.122 0.000 1.090 318 L CA -0.677 54.161 54.840 -0.003 0.000 0.866 318 L CB 0.300 42.392 42.059 0.056 0.000 1.244 318 L HN 0.903 nan 8.230 nan 0.000 0.435 319 A N 3.423 126.279 122.820 0.060 0.000 2.316 319 A HA 0.727 5.045 4.320 -0.003 0.000 0.311 319 A C 0.255 178.017 177.584 0.296 0.000 1.339 319 A CA -0.296 51.867 52.037 0.210 0.000 0.960 319 A CB 0.423 19.469 19.000 0.078 0.000 1.152 319 A HN 0.680 nan 8.150 nan 0.000 0.547 320 A N 2.542 125.549 122.820 0.313 0.000 2.324 320 A HA 0.803 5.121 4.320 -0.003 0.000 0.330 320 A C 0.658 178.311 177.584 0.116 0.000 1.165 320 A CA 0.063 52.277 52.037 0.294 0.000 0.813 320 A CB 0.873 20.067 19.000 0.323 0.000 1.197 320 A HN 1.304 nan 8.150 nan 0.000 0.484 321 G N -0.415 108.360 108.800 -0.042 0.000 2.532 321 G HA2 0.449 4.407 3.960 -0.003 0.000 0.291 321 G HA3 0.449 4.407 3.960 -0.003 0.000 0.291 321 G C -0.092 174.833 174.900 0.042 0.000 1.349 321 G CA -0.295 44.444 45.100 -0.602 0.000 1.038 321 G HN 0.742 nan 8.290 nan 0.000 0.518 322 W N -0.287 121.020 121.300 0.011 0.000 3.008 322 W HA 0.165 4.823 4.660 -0.003 0.000 0.355 322 W C 2.359 178.980 176.519 0.170 0.000 1.095 322 W CA 0.114 57.553 57.345 0.157 0.000 1.738 322 W CB -0.943 28.598 29.460 0.135 0.000 1.091 322 W HN 0.612 nan 8.180 nan 0.000 0.574 323 S N 1.307 117.196 115.700 0.315 0.000 2.382 323 S HA -0.271 4.196 4.470 -0.003 0.000 0.228 323 S C 1.801 176.557 174.600 0.260 0.000 1.027 323 S CA 1.664 60.029 58.200 0.274 0.000 0.991 323 S CB -0.932 62.407 63.200 0.232 0.000 0.823 323 S HN 0.372 nan 8.310 nan 0.000 0.469 324 M N 0.835 120.579 119.600 0.239 0.000 2.549 324 M HA 0.044 4.522 4.480 -0.003 0.000 0.260 324 M C 1.543 177.938 176.300 0.159 0.000 1.076 324 M CA 1.485 56.889 55.300 0.175 0.000 1.090 324 M CB -0.682 31.982 32.600 0.108 0.000 1.418 324 M HN 0.447 nan 8.290 nan 0.000 0.486 325 Q N 0.670 120.616 119.800 0.243 0.000 2.247 325 Q HA 0.208 4.546 4.340 -0.003 0.000 0.211 325 Q C 1.086 177.195 176.000 0.182 0.000 0.861 325 Q CA 0.170 56.105 55.803 0.219 0.000 0.949 325 Q CB -0.054 28.879 28.738 0.325 0.000 1.115 325 Q HN 0.570 nan 8.270 nan 0.000 0.507 326 R N 0.832 121.454 120.500 0.203 0.000 4.031 326 R HA 0.439 4.777 4.340 -0.003 0.000 0.269 326 R C -0.948 175.448 176.300 0.161 0.000 1.668 326 R CA 0.127 56.336 56.100 0.182 0.000 1.432 326 R CB -0.111 30.331 30.300 0.237 0.000 1.374 326 R HN 0.270 nan 8.270 nan 0.000 0.681 327 M N -1.190 118.494 119.600 0.140 0.000 2.682 327 M HA 0.157 4.635 4.480 -0.003 0.000 0.272 327 M C -0.827 175.547 176.300 0.123 0.000 1.232 327 M CA -0.909 54.474 55.300 0.139 0.000 0.849 327 M CB 2.169 34.868 32.600 0.166 0.000 1.695 327 M HN 0.158 nan 8.290 nan 0.000 0.481 328 H N 0.670 119.712 119.070 -0.046 0.000 3.034 328 H HA 0.015 4.569 4.556 -0.004 0.000 0.324 328 H C -0.432 174.777 175.328 -0.199 0.000 1.015 328 H CA 1.435 57.353 56.048 -0.216 0.000 1.429 328 H CB 0.225 29.808 29.762 -0.299 0.000 1.429 328 H HN 0.774 nan 8.280 nan 0.000 0.585 329 H N 1.001 120.015 119.070 -0.093 0.000 2.839 329 H HA -0.170 4.384 4.556 -0.004 0.000 0.298 329 H C 1.536 176.851 175.328 -0.021 0.000 1.224 329 H CA 0.163 56.127 56.048 -0.139 0.000 1.144 329 H CB -1.399 28.193 29.762 -0.284 0.000 1.372 329 H HN 0.911 nan 8.280 nan 0.000 0.408 330 G N 0.371 109.236 108.800 0.108 0.000 2.470 330 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.220 330 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.220 330 G C 1.379 176.356 174.900 0.128 0.000 1.121 330 G CA 1.162 46.333 45.100 0.118 0.000 0.766 330 G HN 0.487 nan 8.290 nan 0.000 0.553 331 E N 0.533 120.806 120.200 0.122 0.000 2.160 331 E HA -0.122 4.226 4.350 -0.003 0.000 0.195 331 E C 2.668 179.396 176.600 0.213 0.000 0.991 331 E CA 1.035 57.517 56.400 0.135 0.000 0.810 331 E CB -0.077 29.688 29.700 0.108 0.000 0.742 331 E HN 0.346 nan 8.360 nan 0.000 0.466 332 Q N -0.030 119.882 119.800 0.187 0.000 2.167 332 Q HA -0.024 4.314 4.340 -0.003 0.000 0.202 332 Q C 2.218 178.280 176.000 0.104 0.000 0.970 332 Q CA 1.288 57.193 55.803 0.170 0.000 0.855 332 Q CB -0.421 28.364 28.738 0.077 0.000 0.911 332 Q HN 0.341 nan 8.270 nan 0.000 0.438 333 A N 0.888 123.728 122.820 0.034 0.000 1.865 333 A HA -0.220 4.098 4.320 -0.003 0.000 0.217 333 A C 1.657 179.072 177.584 -0.282 0.000 1.191 333 A CA 1.885 53.834 52.037 -0.147 0.000 0.623 333 A CB -0.843 18.009 19.000 -0.247 0.000 0.826 333 A HN 0.457 nan 8.150 nan 0.000 0.444 334 H N -3.643 115.436 119.070 0.014 0.000 2.512 334 H HA -0.042 4.512 4.556 -0.003 0.000 0.279 334 H C 1.614 176.944 175.328 0.003 0.000 0.999 334 H CA 0.852 56.879 56.048 -0.035 0.000 1.283 334 H CB -0.034 29.721 29.762 -0.011 0.000 1.421 334 H HN 0.714 nan 8.280 nan 0.000 0.554 335 W N 1.201 122.466 121.300 -0.058 0.000 2.379 335 W HA -0.165 4.493 4.660 -0.003 0.000 0.307 335 W C 2.095 178.523 176.519 -0.152 0.000 1.200 335 W CA 1.195 58.478 57.345 -0.103 0.000 1.297 335 W CB -0.590 28.822 29.460 -0.080 0.000 1.140 335 W HN 0.187 nan 8.180 nan 0.000 0.507 336 M N 0.210 119.822 119.600 0.021 0.000 2.229 336 M HA -0.121 4.357 4.480 -0.003 0.000 0.264 336 M C 2.115 178.330 176.300 -0.141 0.000 1.063 336 M CA 1.516 56.745 55.300 -0.120 0.000 1.114 336 M CB -1.184 31.378 32.600 -0.062 0.000 1.387 336 M HN 0.014 nan 8.290 nan 0.000 0.420 337 L N -0.832 120.273 121.223 -0.196 0.000 2.046 337 L HA -0.133 4.205 4.340 -0.003 0.000 0.208 337 L C 2.071 178.781 176.870 -0.268 0.000 1.077 337 L CA 1.506 56.178 54.840 -0.280 0.000 0.747 337 L CB -0.589 41.276 42.059 -0.323 0.000 0.896 337 L HN 0.160 nan 8.230 nan 0.000 0.432 338 V N -0.957 118.770 119.914 -0.312 0.000 2.515 338 V HA -0.242 3.876 4.120 -0.003 0.000 0.250 338 V C 2.428 178.417 176.094 -0.176 0.000 1.058 338 V CA 2.031 64.071 62.300 -0.433 0.000 1.064 338 V CB -0.679 30.893 31.823 -0.419 0.000 0.675 338 V HN 0.544 nan 8.190 nan 0.000 0.461 339 T N 0.438 114.928 114.554 -0.106 0.000 2.777 339 T HA -0.168 4.180 4.350 -0.003 0.000 0.266 339 T C 1.892 176.568 174.700 -0.039 0.000 1.040 339 T CA 1.728 63.774 62.100 -0.090 0.000 1.141 339 T CB -0.292 68.412 68.868 -0.274 0.000 0.868 339 T HN 0.311 nan 8.240 nan 0.000 0.444 340 L N 1.539 122.739 121.223 -0.040 0.000 2.046 340 L HA 0.046 4.383 4.340 -0.003 0.000 0.208 340 L C 2.591 179.469 176.870 0.013 0.000 1.077 340 L CA 1.938 56.797 54.840 0.031 0.000 0.747 340 L CB -1.004 41.087 42.059 0.053 0.000 0.896 340 L HN 0.221 nan 8.230 nan 0.000 0.432 341 A N -1.571 121.220 122.820 -0.048 0.000 1.933 341 A HA -0.188 4.130 4.320 -0.003 0.000 0.218 341 A C 2.390 179.900 177.584 -0.124 0.000 1.175 341 A CA 1.955 53.960 52.037 -0.054 0.000 0.628 341 A CB -0.906 18.089 19.000 -0.007 0.000 0.814 341 A HN 0.540 nan 8.150 nan 0.000 0.444 342 S N -0.417 115.236 115.700 -0.079 0.000 2.368 342 S HA -0.147 4.320 4.470 -0.003 0.000 0.225 342 S C 1.983 176.554 174.600 -0.049 0.000 1.030 342 S CA 1.763 59.936 58.200 -0.045 0.000 0.999 342 S CB -0.393 62.916 63.200 0.181 0.000 0.844 342 S HN 0.602 nan 8.310 nan 0.000 0.459 343 M N 0.766 120.369 119.600 0.005 0.000 2.213 343 M HA -0.033 4.445 4.480 -0.003 0.000 0.263 343 M C 1.714 178.051 176.300 0.060 0.000 1.062 343 M CA 1.218 56.554 55.300 0.060 0.000 1.105 343 M CB -0.543 32.098 32.600 0.069 0.000 1.385 343 M HN 0.248 nan 8.290 nan 0.000 0.417 344 L N -0.598 120.619 121.223 -0.011 0.000 2.291 344 L HA 0.036 4.373 4.340 -0.003 0.000 0.214 344 L C 1.539 178.335 176.870 -0.124 0.000 1.120 344 L CA 0.632 55.462 54.840 -0.018 0.000 0.799 344 L CB -0.795 41.264 42.059 0.000 0.000 0.925 344 L HN 0.613 nan 8.230 nan 0.000 0.446 345 G N 0.024 108.623 108.800 -0.334 0.000 2.153 345 G HA2 -0.312 3.646 3.960 -0.003 0.000 0.252 345 G HA3 -0.312 3.646 3.960 -0.003 0.000 0.252 345 G C 0.633 175.234 174.900 -0.499 0.000 0.994 345 G CA 0.471 45.249 45.100 -0.536 0.000 0.698 345 G HN 0.513 nan 8.290 nan 0.000 0.521 346 Q N -0.815 118.737 119.800 -0.414 0.000 2.247 346 Q HA 0.379 4.717 4.340 -0.003 0.000 0.211 346 Q C 1.172 177.024 176.000 -0.247 0.000 0.861 346 Q CA -0.332 55.321 55.803 -0.251 0.000 0.949 346 Q CB 0.849 29.499 28.738 -0.147 0.000 1.115 346 Q HN 0.692 nan 8.270 nan 0.000 0.507 347 I N 1.189 121.531 120.570 -0.380 0.000 2.752 347 I HA -0.088 4.079 4.170 -0.003 0.000 0.289 347 I C 1.226 177.307 176.117 -0.059 0.000 1.197 347 I CA 1.141 62.329 61.300 -0.187 0.000 1.432 347 I CB 0.346 38.259 38.000 -0.144 0.000 1.359 347 I HN 0.463 nan 8.210 nan 0.000 0.571 348 G N 5.167 113.968 108.800 0.002 0.000 2.176 348 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.253 348 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.253 348 G C 0.038 174.919 174.900 -0.032 0.000 0.979 348 G CA -0.440 44.682 45.100 0.037 0.000 0.641 348 G HN 0.458 nan 8.290 nan 0.000 0.530 349 L N 1.394 122.581 121.223 -0.059 0.000 2.343 349 L HA 0.478 4.816 4.340 -0.003 0.000 0.275 349 L C -1.857 174.973 176.870 -0.067 0.000 1.056 349 L CA -2.406 52.400 54.840 -0.058 0.000 0.804 349 L CB 1.265 43.288 42.059 -0.059 0.000 1.203 349 L HN -0.153 nan 8.230 nan 0.000 0.440 350 P HA 0.051 nan 4.420 nan 0.000 0.262 350 P C 0.718 177.986 177.300 -0.053 0.000 1.199 350 P CA 0.609 63.675 63.100 -0.057 0.000 0.763 350 P CB 0.612 32.290 31.700 -0.036 0.000 0.790 351 G N 2.107 110.869 108.800 -0.063 0.000 2.179 351 G HA2 -0.143 3.815 3.960 -0.003 0.000 0.260 351 G HA3 -0.143 3.815 3.960 -0.003 0.000 0.260 351 G C 0.472 175.322 174.900 -0.083 0.000 0.977 351 G CA -0.094 44.966 45.100 -0.067 0.000 0.641 351 G HN 0.910 nan 8.290 nan 0.000 0.533 352 G N -1.943 106.807 108.800 -0.084 0.000 2.735 352 G HA2 0.902 4.860 3.960 -0.003 0.000 0.301 352 G HA3 0.902 4.860 3.960 -0.003 0.000 0.301 352 G C 0.797 175.640 174.900 -0.094 0.000 1.279 352 G CA 0.930 45.975 45.100 -0.091 0.000 1.019 352 G HN 1.909 nan 8.290 nan 0.000 0.497 353 G N -1.063 107.688 108.800 -0.081 0.000 2.513 353 G HA2 0.384 4.342 3.960 -0.003 0.000 0.227 353 G HA3 0.384 4.342 3.960 -0.003 0.000 0.227 353 G C -0.218 174.729 174.900 0.078 0.000 1.176 353 G CA 0.469 45.549 45.100 -0.033 0.000 0.967 353 G HN 2.098 nan 8.290 nan 0.000 0.587 354 F N -1.193 118.744 119.950 -0.022 0.000 2.664 354 F HA 0.872 5.397 4.527 -0.004 0.000 0.317 354 F C 0.110 175.963 175.800 0.088 0.000 1.108 354 F CA -0.510 57.503 58.000 0.022 0.000 0.957 354 F CB 1.556 40.563 39.000 0.011 0.000 1.365 354 F HN 1.604 nan 8.300 nan 0.000 0.475 355 G N 0.884 109.817 108.800 0.222 0.000 2.760 355 G HA2 0.506 4.464 3.960 -0.003 0.000 0.296 355 G HA3 0.506 4.464 3.960 -0.003 0.000 0.296 355 G C -1.245 173.792 174.900 0.229 0.000 1.427 355 G CA -0.854 44.278 45.100 0.053 0.000 1.109 355 G HN 0.857 nan 8.290 nan 0.000 0.553 356 L N 1.109 122.450 121.223 0.197 0.000 2.769 356 L HA 0.320 4.658 4.340 -0.003 0.000 0.240 356 L C 1.499 178.588 176.870 0.365 0.000 1.163 356 L CA 0.124 55.165 54.840 0.336 0.000 0.962 356 L CB 1.135 43.398 42.059 0.340 0.000 1.258 356 L HN 0.519 nan 8.230 nan 0.000 0.513 357 S N -1.533 114.215 115.700 0.081 0.000 3.021 357 S HA 0.203 4.671 4.470 -0.003 0.000 0.252 357 S C 0.830 175.349 174.600 -0.134 0.000 0.996 357 S CA -0.397 57.812 58.200 0.015 0.000 1.084 357 S CB 0.104 63.385 63.200 0.134 0.000 1.021 357 S HN 0.268 nan 8.310 nan 0.000 0.566 358 Y N 1.468 121.835 120.300 0.112 0.000 2.509 358 Y HA 0.026 4.574 4.550 -0.003 0.000 0.293 358 Y C 2.360 178.412 175.900 0.254 0.000 1.133 358 Y CA 1.330 59.509 58.100 0.131 0.000 1.283 358 Y CB -0.124 38.421 38.460 0.143 0.000 1.001 358 Y HN 0.638 nan 8.280 nan 0.000 0.555 359 H N -3.288 115.892 119.070 0.183 0.000 2.551 359 H HA 0.098 4.651 4.556 -0.003 0.000 0.271 359 H C -0.676 174.692 175.328 0.066 0.000 0.984 359 H CA -0.059 56.032 56.048 0.072 0.000 1.164 359 H CB -0.480 29.252 29.762 -0.050 0.000 1.437 359 H HN 0.285 nan 8.280 nan 0.000 0.550 360 Y N 1.616 121.550 120.300 -0.610 0.000 2.350 360 Y HA 0.385 4.933 4.550 -0.004 0.000 0.338 360 Y C 0.321 176.290 175.900 0.115 0.000 0.961 360 Y CA -0.846 57.064 58.100 -0.317 0.000 1.100 360 Y CB 1.401 39.563 38.460 -0.496 0.000 1.179 360 Y HN 0.184 nan 8.280 nan 0.000 0.454 361 S N 3.931 119.397 115.700 -0.391 0.000 3.521 361 S HA -0.222 4.246 4.470 -0.003 0.000 0.362 361 S C 1.031 175.724 174.600 0.154 0.000 1.044 361 S CA 1.485 59.551 58.200 -0.223 0.000 1.091 361 S CB -1.802 61.051 63.200 -0.578 0.000 0.908 361 S HN 2.059 nan 8.310 nan 0.000 0.473 362 G N -0.443 108.474 108.800 0.194 0.000 2.147 362 G HA2 -0.102 3.856 3.960 -0.003 0.000 0.244 362 G HA3 -0.102 3.856 3.960 -0.003 0.000 0.244 362 G C 0.382 175.449 174.900 0.278 0.000 1.005 362 G CA 0.156 45.426 45.100 0.283 0.000 0.713 362 G HN 1.616 nan 8.290 nan 0.000 0.515 363 G N -1.145 107.697 108.800 0.071 0.000 2.265 363 G HA2 0.492 4.450 3.960 -0.003 0.000 0.240 363 G HA3 0.492 4.450 3.960 -0.003 0.000 0.240 363 G C 1.486 176.236 174.900 -0.249 0.000 1.270 363 G CA 1.600 46.388 45.100 -0.521 0.000 0.901 363 G HN 1.928 nan 8.290 nan 0.000 0.507 364 G N 1.433 110.058 108.800 -0.292 0.000 2.213 364 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.236 364 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.236 364 G C 0.638 175.627 174.900 0.147 0.000 0.991 364 G CA 0.409 45.390 45.100 -0.199 0.000 0.629 364 G HN 1.125 nan 8.290 nan 0.000 0.517 365 T N 4.099 118.840 114.554 0.312 0.000 2.834 365 T HA 0.461 4.809 4.350 -0.003 0.000 0.298 365 T C -2.108 172.732 174.700 0.233 0.000 0.966 365 T CA -0.296 62.024 62.100 0.366 0.000 1.141 365 T CB 1.352 70.413 68.868 0.322 0.000 0.905 365 T HN 0.129 nan 8.240 nan 0.000 0.535 366 P HA 0.060 nan 4.420 nan 0.000 0.260 366 P C -0.386 176.993 177.300 0.132 0.000 1.172 366 P CA 0.099 63.295 63.100 0.160 0.000 0.760 366 P CB 0.280 32.075 31.700 0.159 0.000 0.773 367 S N 1.587 117.338 115.700 0.085 0.000 2.580 367 S HA 0.322 4.790 4.470 -0.003 0.000 0.274 367 S C 0.841 175.486 174.600 0.075 0.000 1.329 367 S CA -0.442 57.800 58.200 0.070 0.000 1.036 367 S CB 0.156 63.355 63.200 -0.001 0.000 0.919 367 S HN 0.590 nan 8.310 nan 0.000 0.515 368 T N -0.746 113.867 114.554 0.098 0.000 2.814 368 T HA 0.306 4.654 4.350 -0.003 0.000 0.284 368 T C 0.989 175.709 174.700 0.035 0.000 0.998 368 T CA -0.358 61.806 62.100 0.107 0.000 0.935 368 T CB 0.590 69.585 68.868 0.212 0.000 1.167 368 T HN 0.505 nan 8.240 nan 0.000 0.545 369 S N -1.315 114.391 115.700 0.010 0.000 2.582 369 S HA 0.390 4.858 4.470 -0.003 0.000 0.234 369 S C 1.060 175.542 174.600 -0.197 0.000 0.961 369 S CA -0.547 57.615 58.200 -0.064 0.000 0.953 369 S CB -0.650 62.528 63.200 -0.037 0.000 0.800 369 S HN 1.096 nan 8.310 nan 0.000 0.471 370 G N 2.933 111.530 108.800 -0.338 0.000 2.667 370 G HA2 0.473 4.431 3.960 -0.003 0.000 0.250 370 G HA3 0.473 4.431 3.960 -0.003 0.000 0.250 370 G C -2.445 172.069 174.900 -0.643 0.000 1.212 370 G CA -1.245 43.269 45.100 -0.977 0.000 0.874 370 G HN 0.312 nan 8.290 nan 0.000 0.561 371 P HA 0.415 nan 4.420 nan 0.000 0.276 371 P C -0.491 176.672 177.300 -0.228 0.000 1.252 371 P CA -0.277 62.611 63.100 -0.353 0.000 0.802 371 P CB 1.251 32.767 31.700 -0.306 0.000 1.035 372 A N 1.622 124.360 122.820 -0.137 0.000 2.327 372 A HA 0.453 4.771 4.320 -0.003 0.000 0.283 372 A C -0.377 177.168 177.584 -0.064 0.000 1.127 372 A CA -0.468 51.522 52.037 -0.079 0.000 0.810 372 A CB -0.177 18.778 19.000 -0.075 0.000 1.066 372 A HN 0.564 nan 8.150 nan 0.000 0.492 373 L N 2.094 123.295 121.223 -0.035 0.000 2.334 373 L HA 0.730 5.068 4.340 -0.003 0.000 0.277 373 L C 0.335 177.152 176.870 -0.088 0.000 1.075 373 L CA 0.269 55.089 54.840 -0.034 0.000 0.804 373 L CB 1.207 43.273 42.059 0.011 0.000 1.174 373 L HN 0.871 nan 8.230 nan 0.000 0.438 374 A N 2.796 125.542 122.820 -0.122 0.000 2.346 374 A HA 0.971 5.289 4.320 -0.003 0.000 0.313 374 A C -0.217 177.037 177.584 -0.550 0.000 1.140 374 A CA 0.027 51.930 52.037 -0.224 0.000 0.826 374 A CB 1.269 20.186 19.000 -0.139 0.000 1.332 374 A HN 0.939 nan 8.150 nan 0.000 0.457 375 G N -1.048 107.326 108.800 -0.710 0.000 2.921 375 G HA2 0.527 4.484 3.960 -0.003 0.000 0.291 375 G HA3 0.527 4.484 3.960 -0.003 0.000 0.291 375 G C -0.758 173.642 174.900 -0.834 0.000 1.370 375 G CA -0.697 43.639 45.100 -1.272 0.000 0.847 375 G HN 0.920 nan 8.290 nan 0.000 0.532 376 I N 0.829 121.008 120.570 -0.652 0.000 2.813 376 I HA 0.378 4.545 4.170 -0.003 0.000 0.287 376 I C 1.056 176.997 176.117 -0.294 0.000 1.196 376 I CA 0.137 61.216 61.300 -0.368 0.000 1.421 376 I CB 1.116 38.813 38.000 -0.506 0.000 1.365 376 I HN 0.700 nan 8.210 nan 0.000 0.591 377 T N 1.220 115.640 114.554 -0.224 0.000 2.927 377 T HA 0.349 4.697 4.350 -0.003 0.000 0.286 377 T C 0.273 174.867 174.700 -0.177 0.000 1.040 377 T CA -0.278 61.721 62.100 -0.168 0.000 1.010 377 T CB 1.488 70.296 68.868 -0.101 0.000 1.177 377 T HN 0.646 nan 8.240 nan 0.000 0.546 378 D N -1.280 119.038 120.400 -0.137 0.000 2.349 378 D HA 0.253 4.891 4.640 -0.003 0.000 0.224 378 D C 1.716 177.967 176.300 -0.082 0.000 1.029 378 D CA 0.643 54.564 54.000 -0.131 0.000 0.879 378 D CB -0.580 40.156 40.800 -0.107 0.000 0.906 378 D HN 1.165 nan 8.370 nan 0.000 0.528 379 G N -0.156 108.606 108.800 -0.063 0.000 2.304 379 G HA2 -0.336 3.622 3.960 -0.003 0.000 0.252 379 G HA3 -0.336 3.622 3.960 -0.003 0.000 0.252 379 G C 1.425 176.319 174.900 -0.010 0.000 1.014 379 G CA 0.402 45.485 45.100 -0.029 0.000 0.619 379 G HN 0.683 nan 8.290 nan 0.000 0.525 380 G N 0.945 109.742 108.800 -0.004 0.000 2.517 380 G HA2 0.129 4.086 3.960 -0.003 0.000 0.222 380 G HA3 0.129 4.086 3.960 -0.003 0.000 0.222 380 G C 1.876 176.767 174.900 -0.015 0.000 1.109 380 G CA 2.492 47.591 45.100 -0.002 0.000 0.746 380 G HN 1.741 nan 8.290 nan 0.000 0.576 381 A N -0.088 122.720 122.820 -0.020 0.000 2.172 381 A HA 0.535 4.853 4.320 -0.003 0.000 0.216 381 A C 1.848 179.424 177.584 -0.014 0.000 1.154 381 A CA 1.622 53.645 52.037 -0.022 0.000 0.701 381 A CB -0.057 18.927 19.000 -0.027 0.000 0.789 381 A HN 1.031 nan 8.150 nan 0.000 0.465 382 A N -0.497 122.319 122.820 -0.007 0.000 2.795 382 A HA 0.510 4.828 4.320 -0.003 0.000 0.282 382 A C 0.805 178.391 177.584 0.005 0.000 0.964 382 A CA 0.538 52.574 52.037 -0.001 0.000 1.045 382 A CB -0.473 18.529 19.000 0.003 0.000 1.174 382 A HN 0.464 nan 8.150 nan 0.000 0.493 383 T N -2.560 111.996 114.554 0.004 0.000 1.701 383 T HA 0.622 4.970 4.350 -0.003 0.000 0.180 383 T C -0.015 174.691 174.700 0.010 0.000 0.686 383 T CA -0.161 61.946 62.100 0.010 0.000 1.314 383 T CB 0.626 69.502 68.868 0.013 0.000 3.356 383 T HN 0.109 nan 8.240 nan 0.000 0.410 384 K N 0.972 121.379 120.400 0.012 0.000 1.911 384 K HA 0.135 4.453 4.320 -0.003 0.000 0.431 384 K C 0.174 176.790 176.600 0.026 0.000 1.827 384 K CA 0.057 56.354 56.287 0.016 0.000 0.818 384 K CB -0.586 31.924 32.500 0.016 0.000 1.680 384 K HN 0.840 nan 8.250 nan 0.000 0.343 385 G N 2.025 110.839 108.800 0.024 0.000 2.441 385 G HA2 0.271 4.229 3.960 -0.003 0.000 0.258 385 G HA3 0.271 4.229 3.960 -0.003 0.000 0.258 385 G C -2.040 172.903 174.900 0.072 0.000 1.487 385 G CA -0.324 44.799 45.100 0.039 0.000 1.058 385 G HN 0.169 nan 8.290 nan 0.000 0.552 386 P HA 0.196 nan 4.420 nan 0.000 0.270 386 P C -0.503 176.900 177.300 0.172 0.000 1.223 386 P CA -0.004 63.195 63.100 0.166 0.000 0.785 386 P CB 0.634 32.528 31.700 0.324 0.000 0.923 387 E N 1.056 121.315 120.200 0.098 0.000 2.044 387 E HA 0.106 4.454 4.350 -0.003 0.000 0.282 387 E C -0.888 175.775 176.600 0.106 0.000 1.031 387 E CA -0.156 56.298 56.400 0.091 0.000 0.824 387 E CB 0.496 30.216 29.700 0.034 0.000 1.076 387 E HN 0.430 nan 8.360 nan 0.000 0.395 388 W N 4.823 126.111 121.300 -0.021 0.000 2.647 388 W HA 0.565 5.223 4.660 -0.004 0.000 0.353 388 W C -0.917 175.594 176.519 -0.015 0.000 1.080 388 W CA -0.699 56.635 57.345 -0.018 0.000 1.208 388 W CB 1.517 30.958 29.460 -0.031 0.000 1.396 388 W HN 0.434 nan 8.180 nan 0.000 0.573 389 L N 1.100 122.496 121.223 0.289 0.000 2.731 389 L HA 0.702 5.040 4.340 -0.003 0.000 0.256 389 L C -0.546 176.426 176.870 0.170 0.000 0.947 389 L CA -0.954 54.002 54.840 0.193 0.000 0.914 389 L CB 0.435 42.540 42.059 0.077 0.000 1.470 389 L HN 0.472 nan 8.230 nan 0.000 0.421 390 A N 2.226 125.123 122.820 0.129 0.000 2.609 390 A HA 0.508 4.826 4.320 -0.003 0.000 0.235 390 A C 0.980 178.600 177.584 0.060 0.000 1.092 390 A CA 1.075 53.168 52.037 0.094 0.000 0.780 390 A CB -0.781 18.244 19.000 0.042 0.000 1.031 390 A HN 2.806 nan 8.150 nan 0.000 0.515 391 A N 0.125 122.976 122.820 0.052 0.000 2.435 391 A HA 0.405 4.723 4.320 -0.003 0.000 0.686 391 A C 1.111 178.705 177.584 0.016 0.000 0.138 391 A CA 0.628 52.681 52.037 0.027 0.000 0.024 391 A CB -1.818 17.187 19.000 0.009 0.000 3.974 391 A HN 2.738 nan 8.150 nan 0.000 0.548 392 S N -0.810 114.897 115.700 0.012 0.000 2.206 392 S HA 0.134 4.602 4.470 -0.003 0.000 0.241 392 S C 2.151 176.818 174.600 0.111 0.000 1.163 392 S CA 2.193 60.381 58.200 -0.020 0.000 1.532 392 S CB -2.086 60.986 63.200 -0.214 0.000 1.946 392 S HN 3.334 nan 8.310 nan 0.000 0.590 393 G N 1.446 110.354 108.800 0.180 0.000 2.741 393 G HA2 0.300 4.258 3.960 -0.003 0.000 0.222 393 G HA3 0.300 4.258 3.960 -0.003 0.000 0.222 393 G C -0.060 175.091 174.900 0.419 0.000 1.364 393 G CA 0.058 45.313 45.100 0.258 0.000 0.866 393 G HN 1.835 nan 8.290 nan 0.000 0.555 394 A N -0.429 122.563 122.820 0.286 0.000 2.483 394 A HA 0.601 4.919 4.320 -0.003 0.000 0.238 394 A C 1.722 179.378 177.584 0.121 0.000 1.070 394 A CA 1.335 53.476 52.037 0.174 0.000 0.770 394 A CB 0.250 19.352 19.000 0.170 0.000 1.008 394 A HN 2.358 nan 8.150 nan 0.000 0.497 395 S N 0.315 115.783 115.700 -0.386 0.000 2.558 395 S HA 0.291 4.759 4.470 -0.003 0.000 0.217 395 S C 0.230 174.612 174.600 -0.364 0.000 0.975 395 S CA 0.391 58.104 58.200 -0.813 0.000 0.912 395 S CB -0.276 61.761 63.200 -1.939 0.000 0.776 395 S HN 0.607 nan 8.310 nan 0.000 0.526 396 V N 2.430 122.239 119.914 -0.176 0.000 2.760 396 V HA 0.615 4.733 4.120 -0.003 0.000 0.309 396 V C -0.582 175.524 176.094 0.020 0.000 1.077 396 V CA -1.112 61.139 62.300 -0.081 0.000 0.910 396 V CB 1.799 33.539 31.823 -0.139 0.000 1.008 396 V HN 0.509 nan 8.190 nan 0.000 0.424 397 I N 1.613 122.205 120.570 0.037 0.000 2.785 397 I HA 0.755 4.923 4.170 -0.003 0.000 0.302 397 I C -2.865 173.154 176.117 -0.164 0.000 1.069 397 I CA -2.924 58.346 61.300 -0.051 0.000 1.045 397 I CB 2.216 40.205 38.000 -0.020 0.000 1.236 397 I HN 0.339 nan 8.210 nan 0.000 0.429 398 P HA -0.019 nan 4.420 nan 0.000 0.264 398 P C 1.229 178.422 177.300 -0.178 0.000 1.193 398 P CA -0.283 62.634 63.100 -0.304 0.000 0.763 398 P CB 0.738 32.252 31.700 -0.309 0.000 0.810 399 V N 2.459 122.288 119.914 -0.142 0.000 2.324 399 V HA -0.306 3.812 4.120 -0.003 0.000 0.250 399 V C 1.835 177.852 176.094 -0.128 0.000 1.060 399 V CA 2.208 64.463 62.300 -0.075 0.000 1.042 399 V CB -2.137 29.605 31.823 -0.135 0.000 0.650 399 V HN 0.519 nan 8.190 nan 0.000 0.450 400 A N -0.186 122.447 122.820 -0.311 0.000 2.235 400 A HA 0.106 4.424 4.320 -0.003 0.000 0.208 400 A C 1.945 179.523 177.584 -0.010 0.000 1.172 400 A CA 0.426 52.354 52.037 -0.181 0.000 0.786 400 A CB -0.428 18.351 19.000 -0.369 0.000 0.804 400 A HN 0.539 nan 8.150 nan 0.000 0.479 401 R N -0.500 119.937 120.500 -0.105 0.000 2.426 401 R HA 0.094 4.432 4.340 -0.003 0.000 0.263 401 R C 1.433 177.583 176.300 -0.251 0.000 0.961 401 R CA 0.436 56.456 56.100 -0.133 0.000 1.086 401 R CB -0.689 29.528 30.300 -0.139 0.000 1.186 401 R HN 0.384 nan 8.270 nan 0.000 0.537 402 V N 0.427 120.189 119.914 -0.253 0.000 2.392 402 V HA -0.213 3.905 4.120 -0.003 0.000 0.249 402 V C 1.909 177.763 176.094 -0.400 0.000 1.059 402 V CA 1.766 63.828 62.300 -0.396 0.000 1.051 402 V CB 0.040 31.669 31.823 -0.323 0.000 0.658 402 V HN 0.082 nan 8.190 nan 0.000 0.455 403 V N 0.189 119.925 119.914 -0.296 0.000 2.407 403 V HA -0.138 3.980 4.120 -0.003 0.000 0.245 403 V C 2.375 178.307 176.094 -0.269 0.000 1.041 403 V CA 2.088 64.267 62.300 -0.201 0.000 1.040 403 V CB -0.744 31.056 31.823 -0.038 0.000 0.671 403 V HN 0.563 nan 8.190 nan 0.000 0.455 404 D N -0.222 119.998 120.400 -0.300 0.000 2.133 404 D HA -0.255 4.383 4.640 -0.003 0.000 0.195 404 D C 2.055 177.843 176.300 -0.854 0.000 0.997 404 D CA 1.821 55.573 54.000 -0.414 0.000 0.840 404 D CB -0.233 40.388 40.800 -0.299 0.000 0.947 404 D HN 0.399 nan 8.370 nan 0.000 0.452 405 M N 0.240 119.117 119.600 -1.205 0.000 2.080 405 M HA -0.188 4.290 4.480 -0.003 0.000 0.260 405 M C 2.096 178.027 176.300 -0.615 0.000 1.068 405 M CA 1.386 55.907 55.300 -1.298 0.000 1.109 405 M CB -0.064 32.081 32.600 -0.757 0.000 1.342 405 M HN -0.023 nan 8.290 nan 0.000 0.405 406 L N -0.324 120.615 121.223 -0.473 0.000 2.083 406 L HA -0.197 4.141 4.340 -0.003 0.000 0.209 406 L C 2.175 178.900 176.870 -0.242 0.000 1.083 406 L CA 1.398 56.037 54.840 -0.335 0.000 0.752 406 L CB -0.688 41.166 42.059 -0.342 0.000 0.899 406 L HN 0.413 nan 8.230 nan 0.000 0.433 407 E N -0.279 119.780 120.200 -0.234 0.000 2.230 407 E HA -0.014 4.334 4.350 -0.003 0.000 0.192 407 E C 0.303 176.837 176.600 -0.110 0.000 0.987 407 E CA 0.370 56.684 56.400 -0.143 0.000 0.841 407 E CB 0.252 29.884 29.700 -0.113 0.000 0.783 407 E HN 0.453 nan 8.360 nan 0.000 0.481 408 N N 1.657 120.269 118.700 -0.147 0.000 2.757 408 N HA 0.177 4.915 4.740 -0.003 0.000 0.296 408 N C -2.757 172.787 175.510 0.056 0.000 1.874 408 N CA -1.059 51.979 53.050 -0.019 0.000 0.885 408 N CB 1.291 39.821 38.487 0.072 0.000 1.242 408 N HN 0.023 nan 8.380 nan 0.000 0.488 409 P HA 0.072 nan 4.420 nan 0.000 0.267 409 P C 1.119 178.504 177.300 0.142 0.000 1.205 409 P CA 0.932 64.081 63.100 0.081 0.000 0.765 409 P CB 0.730 32.438 31.700 0.014 0.000 0.828 410 G N 1.716 110.636 108.800 0.200 0.000 2.253 410 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.251 410 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.251 410 G C 0.464 175.460 174.900 0.159 0.000 0.998 410 G CA 0.169 45.360 45.100 0.151 0.000 0.621 410 G HN 0.883 nan 8.290 nan 0.000 0.524 411 A N 0.248 123.212 122.820 0.241 0.000 2.366 411 A HA 0.611 4.929 4.320 -0.003 0.000 0.249 411 A C 0.458 178.110 177.584 0.112 0.000 1.084 411 A CA 0.326 52.485 52.037 0.204 0.000 0.794 411 A CB 0.317 19.483 19.000 0.275 0.000 1.034 411 A HN 0.495 nan 8.150 nan 0.000 0.491 412 E N -0.563 119.651 120.200 0.022 0.000 2.318 412 E HA 0.542 4.890 4.350 -0.003 0.000 0.265 412 E C -1.089 175.447 176.600 -0.108 0.000 1.069 412 E CA -0.004 56.325 56.400 -0.117 0.000 0.893 412 E CB 1.125 30.769 29.700 -0.094 0.000 1.076 412 E HN 0.545 nan 8.360 nan 0.000 0.414 413 F N -1.196 118.572 119.950 -0.303 0.000 2.613 413 F HA 0.467 4.992 4.527 -0.004 0.000 0.310 413 F C -0.826 174.900 175.800 -0.125 0.000 1.085 413 F CA -1.224 56.624 58.000 -0.254 0.000 0.945 413 F CB 1.184 39.919 39.000 -0.443 0.000 1.298 413 F HN 0.114 nan 8.300 nan 0.000 0.455 414 D N 1.696 122.148 120.400 0.087 0.000 2.253 414 D HA 0.429 5.067 4.640 -0.003 0.000 0.249 414 D C -1.634 174.818 176.300 0.255 0.000 1.049 414 D CA 0.152 54.180 54.000 0.047 0.000 0.929 414 D CB 2.486 43.248 40.800 -0.063 0.000 1.176 414 D HN 0.608 nan 8.370 nan 0.000 0.437 415 F N 2.093 122.070 119.950 0.045 0.000 2.839 415 F HA 0.133 4.657 4.527 -0.004 0.000 0.344 415 F C -0.111 175.754 175.800 0.107 0.000 1.242 415 F CA -0.747 57.312 58.000 0.099 0.000 1.091 415 F CB 0.525 39.643 39.000 0.197 0.000 1.374 415 F HN 0.220 nan 8.300 nan 0.000 0.553 416 N N 4.216 122.619 118.700 -0.495 0.000 2.727 416 N HA -0.171 4.567 4.740 -0.003 0.000 0.249 416 N C 0.846 176.321 175.510 -0.058 0.000 1.048 416 N CA 2.116 54.950 53.050 -0.360 0.000 0.714 416 N CB -0.984 37.091 38.487 -0.687 0.000 0.959 416 N HN 1.769 nan 8.380 nan 0.000 0.544 417 G N -2.706 106.156 108.800 0.104 0.000 2.176 417 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.253 417 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.253 417 G C 0.189 175.107 174.900 0.030 0.000 0.979 417 G CA 1.208 46.314 45.100 0.010 0.000 0.641 417 G HN 1.415 nan 8.290 nan 0.000 0.530 418 T N -2.329 112.263 114.554 0.062 0.000 2.942 418 T HA 0.801 5.149 4.350 -0.003 0.000 0.289 418 T C -0.301 174.384 174.700 -0.024 0.000 1.044 418 T CA -0.847 61.263 62.100 0.017 0.000 1.023 418 T CB 2.683 71.563 68.868 0.021 0.000 1.123 418 T HN 0.337 nan 8.240 nan 0.000 0.512 419 R N 0.692 121.129 120.500 -0.105 0.000 2.637 419 R HA 0.758 5.096 4.340 -0.003 0.000 0.291 419 R C -0.845 175.238 176.300 -0.363 0.000 0.963 419 R CA -0.657 55.309 56.100 -0.223 0.000 0.901 419 R CB 2.247 32.459 30.300 -0.147 0.000 1.160 419 R HN 0.829 nan 8.270 nan 0.000 0.457 420 S N 1.111 116.385 115.700 -0.710 0.000 2.685 420 S HA 0.498 4.966 4.470 -0.003 0.000 0.282 420 S C -1.175 173.027 174.600 -0.663 0.000 1.159 420 S CA -0.911 56.889 58.200 -0.666 0.000 0.833 420 S CB 2.425 65.194 63.200 -0.717 0.000 1.151 420 S HN 0.360 nan 8.310 nan 0.000 0.485 421 K N 0.416 120.641 120.400 -0.291 0.000 2.203 421 K HA 0.525 4.843 4.320 -0.003 0.000 0.251 421 K C -1.339 175.332 176.600 0.118 0.000 0.944 421 K CA -0.556 55.671 56.287 -0.101 0.000 0.829 421 K CB 0.971 33.477 32.500 0.011 0.000 1.125 421 K HN 0.348 nan 8.250 nan 0.000 0.430 422 F N 3.677 123.799 119.950 0.286 0.000 2.484 422 F HA 0.145 4.669 4.527 -0.004 0.000 0.360 422 F C -1.502 174.389 175.800 0.152 0.000 1.101 422 F CA -1.772 56.368 58.000 0.233 0.000 1.251 422 F CB 0.120 39.197 39.000 0.127 0.000 1.132 422 F HN 0.334 nan 8.300 nan 0.000 0.570 423 P HA 0.061 nan 4.420 nan 0.000 0.278 423 P C -0.954 176.433 177.300 0.144 0.000 1.258 423 P CA -0.407 62.843 63.100 0.249 0.000 0.811 423 P CB 1.135 33.023 31.700 0.313 0.000 1.063 424 D N 1.170 121.617 120.400 0.078 0.000 2.500 424 D HA 0.209 4.847 4.640 -0.003 0.000 0.219 424 D C -0.557 175.702 176.300 -0.069 0.000 1.137 424 D CA -0.416 53.579 54.000 -0.008 0.000 0.946 424 D CB -0.367 40.426 40.800 -0.012 0.000 1.022 424 D HN -0.099 nan 8.370 nan 0.000 0.518 425 V N 4.810 124.676 119.914 -0.081 0.000 2.583 425 V HA 0.189 4.307 4.120 -0.003 0.000 0.287 425 V C 1.301 177.284 176.094 -0.185 0.000 1.051 425 V CA -0.112 62.136 62.300 -0.087 0.000 1.010 425 V CB 1.632 33.418 31.823 -0.061 0.000 0.988 425 V HN 0.409 nan 8.190 nan 0.000 0.478 426 K N 3.708 123.994 120.400 -0.190 0.000 2.412 426 K HA 0.371 4.689 4.320 -0.003 0.000 0.202 426 K C -0.076 176.483 176.600 -0.069 0.000 1.102 426 K CA 0.236 56.385 56.287 -0.229 0.000 1.027 426 K CB 0.991 33.198 32.500 -0.489 0.000 0.931 426 K HN 0.681 nan 8.250 nan 0.000 0.557 427 M N 0.213 119.824 119.600 0.017 0.000 2.484 427 M HA 0.566 5.044 4.480 -0.003 0.000 0.289 427 M C -2.031 174.377 176.300 0.180 0.000 1.206 427 M CA -0.629 54.737 55.300 0.110 0.000 0.892 427 M CB 2.533 35.237 32.600 0.174 0.000 1.712 427 M HN -0.052 nan 8.290 nan 0.000 0.462 428 A N 2.790 125.777 122.820 0.278 0.000 2.414 428 A HA 0.745 5.063 4.320 -0.003 0.000 0.306 428 A C -2.423 175.506 177.584 0.574 0.000 1.054 428 A CA -0.403 51.914 52.037 0.466 0.000 0.724 428 A CB 1.373 20.690 19.000 0.529 0.000 1.267 428 A HN 0.809 nan 8.150 nan 0.000 0.418 429 Y N 2.145 122.645 120.300 0.332 0.000 2.338 429 Y HA 0.528 5.077 4.550 -0.003 0.000 0.328 429 Y C -1.299 174.721 175.900 0.199 0.000 0.965 429 Y CA -1.467 56.764 58.100 0.220 0.000 1.208 429 Y CB 0.991 39.503 38.460 0.087 0.000 1.132 429 Y HN 0.696 nan 8.280 nan 0.000 0.469 430 W N 8.067 129.598 121.300 0.384 0.000 2.532 430 W HA 0.651 5.310 4.660 -0.003 0.000 0.321 430 W C -1.396 175.232 176.519 0.182 0.000 1.037 430 W CA -0.790 56.746 57.345 0.319 0.000 1.220 430 W CB 1.784 31.495 29.460 0.417 0.000 1.361 430 W HN 0.430 nan 8.180 nan 0.000 0.468 431 V N 1.501 121.625 119.914 0.350 0.000 2.876 431 V HA 0.872 4.990 4.120 -0.003 0.000 0.312 431 V C 0.447 176.718 176.094 0.294 0.000 1.085 431 V CA -0.297 62.153 62.300 0.250 0.000 0.945 431 V CB 1.223 33.114 31.823 0.114 0.000 1.017 431 V HN 1.036 nan 8.190 nan 0.000 0.428 432 G N 1.304 110.255 108.800 0.252 0.000 2.203 432 G HA2 0.202 4.160 3.960 -0.003 0.000 0.263 432 G HA3 0.202 4.160 3.960 -0.003 0.000 0.263 432 G C 0.612 175.708 174.900 0.326 0.000 1.012 432 G CA 0.584 45.828 45.100 0.239 0.000 0.749 432 G HN 2.319 nan 8.290 nan 0.000 0.512 433 G N -1.299 107.760 108.800 0.431 0.000 2.692 433 G HA2 0.557 4.515 3.960 -0.003 0.000 0.291 433 G HA3 0.557 4.515 3.960 -0.003 0.000 0.291 433 G C -1.089 173.960 174.900 0.247 0.000 1.423 433 G CA -0.175 45.230 45.100 0.508 0.000 0.843 433 G HN 0.607 nan 8.290 nan 0.000 0.486 434 N N 0.848 119.658 118.700 0.184 0.000 2.752 434 N HA 0.338 5.076 4.740 -0.003 0.000 0.260 434 N C -1.676 173.549 175.510 -0.474 0.000 1.562 434 N CA -1.862 51.126 53.050 -0.103 0.000 0.788 434 N CB 2.114 40.603 38.487 0.003 0.000 1.192 434 N HN 0.134 nan 8.380 nan 0.000 0.503 435 P HA -0.063 nan 4.420 nan 0.000 0.220 435 P C 0.873 177.541 177.300 -1.054 0.000 1.148 435 P CA 0.798 62.942 63.100 -1.593 0.000 0.803 435 P CB -0.011 30.742 31.700 -1.579 0.000 0.782 436 F N -0.921 118.594 119.950 -0.724 0.000 2.816 436 F HA -0.008 4.517 4.527 -0.004 0.000 0.302 436 F C 1.981 177.548 175.800 -0.388 0.000 1.178 436 F CA 0.528 58.172 58.000 -0.594 0.000 1.421 436 F CB -0.143 38.528 39.000 -0.548 0.000 1.114 436 F HN -0.233 nan 8.300 nan 0.000 0.573 437 V N -1.595 118.181 119.914 -0.229 0.000 3.103 437 V HA -0.104 4.014 4.120 -0.003 0.000 0.229 437 V C 2.167 178.197 176.094 -0.107 0.000 1.304 437 V CA 0.785 63.036 62.300 -0.083 0.000 1.298 437 V CB -0.368 31.498 31.823 0.070 0.000 1.093 437 V HN 0.393 nan 8.190 nan 0.000 0.489 438 H N -0.429 118.542 119.070 -0.164 0.000 2.512 438 H HA 0.023 4.577 4.556 -0.004 0.000 0.279 438 H C 1.023 176.179 175.328 -0.287 0.000 0.999 438 H CA 0.552 56.455 56.048 -0.242 0.000 1.283 438 H CB 0.160 29.726 29.762 -0.327 0.000 1.421 438 H HN 0.519 nan 8.280 nan 0.000 0.554 439 H N 1.288 120.183 119.070 -0.291 0.000 2.482 439 H HA 0.225 4.779 4.556 -0.003 0.000 0.344 439 H C -0.377 174.874 175.328 -0.129 0.000 1.151 439 H CA -0.545 55.429 56.048 -0.124 0.000 1.300 439 H CB 1.213 30.827 29.762 -0.247 0.000 1.494 439 H HN 0.159 nan 8.280 nan 0.000 0.542 440 Q N 1.224 120.523 119.800 -0.835 0.000 2.312 440 Q HA 0.200 4.537 4.340 -0.003 0.000 0.236 440 Q C -0.506 175.256 176.000 -0.397 0.000 0.965 440 Q CA -0.134 55.377 55.803 -0.486 0.000 0.894 440 Q CB 0.457 28.977 28.738 -0.363 0.000 1.225 440 Q HN 0.756 nan 8.270 nan 0.000 0.478 441 D N 0.280 120.536 120.400 -0.241 0.000 3.082 441 D HA -0.187 4.451 4.640 -0.003 0.000 0.234 441 D C 0.558 176.743 176.300 -0.191 0.000 1.159 441 D CA 0.287 54.181 54.000 -0.176 0.000 0.875 441 D CB -0.185 40.535 40.800 -0.133 0.000 0.946 441 D HN 0.637 nan 8.370 nan 0.000 0.411 442 R N 1.631 121.982 120.500 -0.248 0.000 2.091 442 R HA -0.084 4.254 4.340 -0.003 0.000 0.238 442 R C 1.913 178.073 176.300 -0.233 0.000 1.136 442 R CA 2.122 58.015 56.100 -0.345 0.000 0.959 442 R CB -0.149 29.816 30.300 -0.557 0.000 0.856 442 R HN 0.386 nan 8.270 nan 0.000 0.437 443 N N 0.155 118.775 118.700 -0.133 0.000 2.166 443 N HA -0.180 4.558 4.740 -0.003 0.000 0.186 443 N C 1.713 177.201 175.510 -0.036 0.000 1.019 443 N CA 1.269 54.291 53.050 -0.047 0.000 0.856 443 N CB -0.283 38.199 38.487 -0.007 0.000 0.993 443 N HN 0.307 nan 8.380 nan 0.000 0.426 444 R N 0.957 121.425 120.500 -0.053 0.000 2.075 444 R HA -0.012 4.326 4.340 -0.003 0.000 0.232 444 R C 2.300 178.583 176.300 -0.029 0.000 1.126 444 R CA 1.018 57.098 56.100 -0.033 0.000 0.963 444 R CB -0.189 30.089 30.300 -0.037 0.000 0.858 444 R HN 0.164 nan 8.270 nan 0.000 0.435 445 M N 0.274 119.828 119.600 -0.077 0.000 2.132 445 M HA -0.135 4.343 4.480 -0.003 0.000 0.263 445 M C 1.816 178.068 176.300 -0.080 0.000 1.065 445 M CA 1.502 56.735 55.300 -0.112 0.000 1.122 445 M CB 0.088 32.505 32.600 -0.305 0.000 1.365 445 M HN 0.096 nan 8.290 nan 0.000 0.411 446 V N 1.191 121.058 119.914 -0.078 0.000 2.287 446 V HA -0.295 3.823 4.120 -0.003 0.000 0.248 446 V C 2.415 178.590 176.094 0.136 0.000 1.053 446 V CA 2.296 64.635 62.300 0.065 0.000 1.027 446 V CB -0.775 31.105 31.823 0.096 0.000 0.646 446 V HN 0.522 nan 8.190 nan 0.000 0.447 447 K N 0.829 121.282 120.400 0.088 0.000 2.062 447 K HA -0.009 4.309 4.320 -0.003 0.000 0.205 447 K C 2.025 178.678 176.600 0.089 0.000 1.051 447 K CA 1.624 57.962 56.287 0.085 0.000 0.941 447 K CB -0.624 31.905 32.500 0.048 0.000 0.719 447 K HN 0.358 nan 8.250 nan 0.000 0.440 448 A N 0.235 123.104 122.820 0.081 0.000 1.972 448 A HA -0.158 4.160 4.320 -0.003 0.000 0.219 448 A C 2.084 179.720 177.584 0.086 0.000 1.169 448 A CA 1.198 53.266 52.037 0.052 0.000 0.635 448 A CB -1.120 17.895 19.000 0.025 0.000 0.810 448 A HN 0.640 nan 8.150 nan 0.000 0.446 449 W N 0.929 122.167 121.300 -0.104 0.000 2.538 449 W HA -0.119 4.539 4.660 -0.003 0.000 0.254 449 W C 1.375 177.873 176.519 -0.036 0.000 1.249 449 W CA 1.344 58.630 57.345 -0.098 0.000 1.253 449 W CB 0.042 29.479 29.460 -0.039 0.000 1.130 449 W HN 0.598 nan 8.180 nan 0.000 0.618 450 E N -0.065 120.222 120.200 0.144 0.000 2.338 450 E HA -0.194 4.154 4.350 -0.003 0.000 0.197 450 E C 2.013 178.618 176.600 0.009 0.000 1.007 450 E CA 0.485 56.937 56.400 0.087 0.000 0.849 450 E CB -0.202 29.548 29.700 0.084 0.000 0.774 450 E HN 0.096 nan 8.360 nan 0.000 0.506 451 K N 0.919 121.286 120.400 -0.056 0.000 2.365 451 K HA -0.031 4.287 4.320 -0.003 0.000 0.199 451 K C 0.384 176.900 176.600 -0.141 0.000 1.045 451 K CA 0.264 56.490 56.287 -0.102 0.000 0.962 451 K CB 0.069 32.482 32.500 -0.145 0.000 0.759 451 K HN 0.130 nan 8.250 nan 0.000 0.469 452 L N 1.488 122.597 121.223 -0.191 0.000 2.326 452 L HA 0.105 4.443 4.340 -0.003 0.000 0.278 452 L C 1.403 178.256 176.870 -0.028 0.000 1.092 452 L CA -0.248 54.482 54.840 -0.184 0.000 0.810 452 L CB 1.193 43.044 42.059 -0.347 0.000 1.153 452 L HN 0.073 nan 8.230 nan 0.000 0.439 453 E N 0.954 121.168 120.200 0.022 0.000 2.072 453 E HA -0.030 4.317 4.350 -0.003 0.000 0.190 453 E C -0.186 176.551 176.600 0.228 0.000 0.982 453 E CA 0.968 57.450 56.400 0.136 0.000 0.803 453 E CB 0.288 30.082 29.700 0.157 0.000 0.755 453 E HN 0.609 nan 8.360 nan 0.000 0.453 454 T N 0.147 114.805 114.554 0.172 0.000 2.916 454 T HA 0.404 4.751 4.350 -0.003 0.000 0.298 454 T C -1.501 173.297 174.700 0.165 0.000 1.031 454 T CA -0.588 61.586 62.100 0.125 0.000 0.993 454 T CB 1.619 70.587 68.868 0.166 0.000 1.045 454 T HN -0.054 nan 8.240 nan 0.000 0.454 455 F N 3.725 123.624 119.950 -0.084 0.000 2.612 455 F HA 0.657 5.182 4.527 -0.004 0.000 0.332 455 F C -1.417 174.353 175.800 -0.051 0.000 1.167 455 F CA -1.282 56.744 58.000 0.043 0.000 0.970 455 F CB 0.922 40.065 39.000 0.238 0.000 1.234 455 F HN 0.320 nan 8.300 nan 0.000 0.453 456 V N 6.371 126.087 119.914 -0.329 0.000 2.513 456 V HA 0.736 4.854 4.120 -0.003 0.000 0.299 456 V C -0.663 175.081 176.094 -0.583 0.000 1.035 456 V CA -0.823 61.138 62.300 -0.565 0.000 0.889 456 V CB 1.679 32.954 31.823 -0.913 0.000 0.988 456 V HN 0.545 nan 8.190 nan 0.000 0.440 457 V N 4.022 123.692 119.914 -0.407 0.000 2.789 457 V HA 0.524 4.642 4.120 -0.003 0.000 0.311 457 V C -0.884 175.243 176.094 0.054 0.000 1.073 457 V CA -0.697 61.483 62.300 -0.200 0.000 0.921 457 V CB 2.228 33.856 31.823 -0.324 0.000 1.009 457 V HN 0.977 nan 8.190 nan 0.000 0.426 458 H N 2.727 121.799 119.070 0.003 0.000 2.489 458 H HA 0.735 5.289 4.556 -0.004 0.000 0.343 458 H C -1.083 174.221 175.328 -0.040 0.000 1.086 458 H CA -0.768 55.271 56.048 -0.015 0.000 1.198 458 H CB 2.437 32.229 29.762 0.050 0.000 1.490 458 H HN 0.617 nan 8.280 nan 0.000 0.504 459 D N 1.686 122.086 120.400 0.000 0.000 2.671 459 D HA 0.004 4.642 4.640 -0.003 0.000 0.273 459 D C -0.716 175.506 176.300 -0.131 0.000 1.264 459 D CA -0.559 53.362 54.000 -0.131 0.000 0.788 459 D CB 1.506 42.154 40.800 -0.253 0.000 1.324 459 D HN 0.455 nan 8.370 nan 0.000 0.424 460 F N -0.459 119.465 119.950 -0.043 0.000 2.682 460 F HA 0.483 5.008 4.527 -0.004 0.000 0.308 460 F C 0.413 176.169 175.800 -0.073 0.000 1.093 460 F CA -0.251 57.710 58.000 -0.066 0.000 1.244 460 F CB 0.312 39.312 39.000 0.000 0.000 1.052 460 F HN -0.091 nan 8.300 nan 0.000 0.573 461 Q N 0.119 119.777 119.800 -0.236 0.000 2.394 461 Q HA 0.174 4.512 4.340 -0.003 0.000 0.273 461 Q C -1.622 174.238 176.000 -0.235 0.000 1.089 461 Q CA -0.536 55.236 55.803 -0.053 0.000 0.812 461 Q CB 1.944 30.769 28.738 0.145 0.000 1.353 461 Q HN 0.497 nan 8.270 nan 0.000 0.438 462 W N 2.868 124.116 121.300 -0.087 0.000 1.564 462 W HA 0.068 4.726 4.660 -0.003 0.000 0.480 462 W C 0.899 177.111 176.519 -0.511 0.000 0.699 462 W CA -0.080 57.136 57.345 -0.215 0.000 1.985 462 W CB 0.028 29.423 29.460 -0.109 0.000 1.738 462 W HN 0.416 nan 8.180 nan 0.000 0.218 463 T N -1.173 113.071 114.554 -0.516 0.000 2.754 463 T HA 0.166 4.514 4.350 -0.003 0.000 0.286 463 T C -1.564 172.863 174.700 -0.456 0.000 0.997 463 T CA -1.396 60.136 62.100 -0.948 0.000 0.982 463 T CB 1.169 69.632 68.868 -0.674 0.000 1.027 463 T HN -0.056 nan 8.240 nan 0.000 0.529 464 P HA -0.043 nan 4.420 nan 0.000 0.218 464 P C 1.586 178.851 177.300 -0.059 0.000 1.148 464 P CA 1.048 64.097 63.100 -0.086 0.000 0.822 464 P CB -0.237 31.491 31.700 0.047 0.000 0.784 465 T N -0.577 113.918 114.554 -0.098 0.000 2.708 465 T HA -0.132 4.216 4.350 -0.003 0.000 0.266 465 T C 1.913 176.602 174.700 -0.020 0.000 1.037 465 T CA 1.686 63.779 62.100 -0.012 0.000 1.146 465 T CB -0.979 67.900 68.868 0.019 0.000 0.865 465 T HN 0.038 nan 8.240 nan 0.000 0.435 466 A N 1.784 124.552 122.820 -0.086 0.000 1.933 466 A HA -0.122 4.195 4.320 -0.003 0.000 0.218 466 A C 2.337 180.005 177.584 0.138 0.000 1.175 466 A CA 1.386 53.360 52.037 -0.105 0.000 0.628 466 A CB -0.514 18.296 19.000 -0.317 0.000 0.814 466 A HN 0.418 nan 8.150 nan 0.000 0.444 467 R N -1.480 119.151 120.500 0.219 0.000 2.152 467 R HA -0.136 4.202 4.340 -0.003 0.000 0.232 467 R C 1.310 177.652 176.300 0.070 0.000 1.117 467 R CA 1.517 57.775 56.100 0.262 0.000 0.981 467 R CB -0.359 29.956 30.300 0.024 0.000 0.870 467 R HN 0.699 nan 8.270 nan 0.000 0.451 468 H N -0.560 118.460 119.070 -0.084 0.000 2.539 468 H HA 0.275 4.829 4.556 -0.004 0.000 0.269 468 H C 0.235 175.670 175.328 0.179 0.000 0.980 468 H CA 0.125 56.079 56.048 -0.156 0.000 1.152 468 H CB 0.384 29.621 29.762 -0.876 0.000 1.407 468 H HN 0.188 nan 8.280 nan 0.000 0.564 469 A N 0.000 122.979 122.820 0.265 0.000 2.287 469 A HA 0.108 4.425 4.320 -0.003 0.000 0.273 469 A C 0.779 178.468 177.584 0.174 0.000 1.091 469 A CA -0.387 51.730 52.037 0.133 0.000 0.817 469 A CB 0.590 19.485 19.000 -0.175 0.000 1.069 469 A HN 0.279 nan 8.150 nan 0.000 0.492 470 D N -0.258 120.146 120.400 0.007 0.000 2.183 470 D HA 0.117 4.755 4.640 -0.003 0.000 0.205 470 D C 0.031 176.246 176.300 -0.142 0.000 0.962 470 D CA 1.439 55.330 54.000 -0.181 0.000 0.849 470 D CB 0.163 40.519 40.800 -0.740 0.000 0.978 470 D HN 0.477 nan 8.370 nan 0.000 0.488 471 I N 1.154 121.614 120.570 -0.184 0.000 2.478 471 I HA 0.190 4.358 4.170 -0.003 0.000 0.287 471 I C -0.964 175.048 176.117 -0.174 0.000 1.042 471 I CA -0.697 60.518 61.300 -0.141 0.000 1.067 471 I CB 2.853 40.748 38.000 -0.175 0.000 1.233 471 I HN -0.399 nan 8.210 nan 0.000 0.431 472 V N 7.169 126.969 119.914 -0.189 0.000 2.409 472 V HA 0.507 4.625 4.120 -0.003 0.000 0.291 472 V C -0.198 175.700 176.094 -0.326 0.000 1.020 472 V CA -0.528 61.593 62.300 -0.298 0.000 0.848 472 V CB 1.839 33.370 31.823 -0.487 0.000 0.990 472 V HN 0.472 nan 8.190 nan 0.000 0.430 473 L N 6.916 127.974 121.223 -0.274 0.000 2.341 473 L HA 0.557 4.895 4.340 -0.003 0.000 0.278 473 L C -2.492 174.237 176.870 -0.236 0.000 1.005 473 L CA -1.843 52.804 54.840 -0.322 0.000 0.818 473 L CB 2.816 44.694 42.059 -0.302 0.000 1.259 473 L HN 0.401 nan 8.230 nan 0.000 0.418 474 P HA 0.227 nan 4.420 nan 0.000 0.287 474 P C -0.716 176.636 177.300 0.087 0.000 1.307 474 P CA -0.152 62.903 63.100 -0.076 0.000 0.777 474 P CB 1.426 33.084 31.700 -0.070 0.000 0.883 475 A N 4.097 126.967 122.820 0.083 0.000 2.264 475 A HA 0.663 4.981 4.320 -0.003 0.000 0.304 475 A C 0.631 178.302 177.584 0.145 0.000 1.100 475 A CA -0.257 51.858 52.037 0.131 0.000 0.839 475 A CB 0.028 19.157 19.000 0.214 0.000 1.121 475 A HN 0.567 nan 8.150 nan 0.000 0.496 476 T N -1.057 113.529 114.554 0.054 0.000 2.881 476 T HA 0.567 4.915 4.350 -0.003 0.000 0.278 476 T C 0.593 175.178 174.700 -0.192 0.000 0.982 476 T CA 0.114 62.172 62.100 -0.070 0.000 0.989 476 T CB 0.789 69.582 68.868 -0.124 0.000 1.058 476 T HN 1.071 nan 8.240 nan 0.000 0.529 477 T N -1.106 113.160 114.554 -0.480 0.000 2.810 477 T HA 0.295 4.642 4.350 -0.003 0.000 0.277 477 T C 1.460 175.820 174.700 -0.566 0.000 0.973 477 T CA -0.545 61.099 62.100 -0.760 0.000 0.949 477 T CB 0.399 68.758 68.868 -0.848 0.000 1.075 477 T HN 0.471 nan 8.240 nan 0.000 0.537 478 S N -0.080 115.153 115.700 -0.777 0.000 2.442 478 S HA -0.034 4.434 4.470 -0.003 0.000 0.236 478 S C 1.344 175.592 174.600 -0.587 0.000 1.007 478 S CA 0.794 58.597 58.200 -0.662 0.000 0.965 478 S CB -0.689 62.102 63.200 -0.682 0.000 0.773 478 S HN 0.748 nan 8.310 nan 0.000 0.504 479 Y N 1.349 121.616 120.300 -0.056 0.000 2.583 479 Y HA 0.178 4.726 4.550 -0.003 0.000 0.293 479 Y C 1.524 177.398 175.900 -0.044 0.000 1.157 479 Y CA -0.116 57.979 58.100 -0.009 0.000 1.315 479 Y CB -0.554 37.956 38.460 0.083 0.000 1.021 479 Y HN 0.305 nan 8.280 nan 0.000 0.536 480 E N 0.751 120.906 120.200 -0.075 0.000 2.569 480 E HA 0.198 4.546 4.350 -0.003 0.000 0.205 480 E C 0.262 176.806 176.600 -0.095 0.000 1.006 480 E CA -0.248 56.109 56.400 -0.072 0.000 0.985 480 E CB 0.406 30.039 29.700 -0.112 0.000 1.060 480 E HN 0.400 nan 8.360 nan 0.000 0.460 481 R N -1.074 119.367 120.500 -0.100 0.000 2.762 481 R HA 0.401 4.739 4.340 -0.003 0.000 0.271 481 R C -1.197 175.114 176.300 0.019 0.000 1.038 481 R CA -0.925 55.118 56.100 -0.094 0.000 0.906 481 R CB 0.720 30.819 30.300 -0.335 0.000 1.259 481 R HN -0.188 nan 8.270 nan 0.000 0.457 482 N N -0.138 118.644 118.700 0.137 0.000 2.384 482 N HA 0.465 5.203 4.740 -0.003 0.000 0.301 482 N C -1.393 174.320 175.510 0.340 0.000 1.133 482 N CA -0.249 52.959 53.050 0.264 0.000 0.853 482 N CB 1.773 40.446 38.487 0.309 0.000 1.241 482 N HN 0.539 nan 8.380 nan 0.000 0.502 483 D N 0.093 120.718 120.400 0.375 0.000 2.792 483 D HA 0.466 5.104 4.640 -0.003 0.000 0.335 483 D C -1.447 175.076 176.300 0.372 0.000 1.353 483 D CA -0.402 53.797 54.000 0.331 0.000 0.839 483 D CB 2.109 43.062 40.800 0.256 0.000 1.396 483 D HN 0.384 nan 8.370 nan 0.000 0.479 484 I N 0.786 121.541 120.570 0.309 0.000 2.656 484 I HA 0.558 4.726 4.170 -0.003 0.000 0.292 484 I C -1.770 174.449 176.117 0.171 0.000 1.144 484 I CA -0.326 61.168 61.300 0.324 0.000 1.038 484 I CB 1.991 40.291 38.000 0.500 0.000 1.244 484 I HN 0.327 nan 8.210 nan 0.000 0.420 485 E N 3.572 123.837 120.200 0.108 0.000 2.407 485 E HA 0.458 4.806 4.350 -0.003 0.000 0.279 485 E C -1.458 175.155 176.600 0.021 0.000 1.012 485 E CA -0.439 55.976 56.400 0.025 0.000 0.800 485 E CB 2.155 31.829 29.700 -0.043 0.000 1.276 485 E HN 0.533 nan 8.360 nan 0.000 0.452 486 T N 2.405 116.963 114.554 0.008 0.000 2.918 486 T HA 0.409 4.757 4.350 -0.003 0.000 0.302 486 T C 0.227 174.927 174.700 -0.000 0.000 1.045 486 T CA -0.029 62.086 62.100 0.026 0.000 1.114 486 T CB 0.079 68.967 68.868 0.033 0.000 0.965 486 T HN 0.294 nan 8.240 nan 0.000 0.540 487 I N 2.559 123.135 120.570 0.010 0.000 2.307 487 I HA 0.504 4.672 4.170 -0.003 0.000 0.289 487 I C 0.755 176.908 176.117 0.060 0.000 1.021 487 I CA -0.074 61.232 61.300 0.010 0.000 1.224 487 I CB 0.803 38.801 38.000 -0.003 0.000 1.376 487 I HN 0.893 nan 8.210 nan 0.000 0.470 488 G N 4.770 113.603 108.800 0.054 0.000 3.238 488 G HA2 -0.157 3.800 3.960 -0.003 0.000 0.684 488 G HA3 -0.157 3.800 3.960 -0.003 0.000 0.684 488 G C 0.065 174.995 174.900 0.050 0.000 1.156 488 G CA -0.750 44.399 45.100 0.081 0.000 1.048 488 G HN 0.712 nan 8.290 nan 0.000 0.462 489 D N 0.495 120.891 120.400 -0.006 0.000 2.133 489 D HA -0.143 4.495 4.640 -0.003 0.000 0.195 489 D C 1.562 177.702 176.300 -0.267 0.000 0.997 489 D CA 2.048 55.950 54.000 -0.163 0.000 0.840 489 D CB 0.274 40.886 40.800 -0.314 0.000 0.947 489 D HN 0.654 nan 8.370 nan 0.000 0.452 490 Y N 0.040 120.375 120.300 0.059 0.000 2.559 490 Y HA -0.009 4.539 4.550 -0.003 0.000 0.279 490 Y C 2.670 178.595 175.900 0.042 0.000 1.117 490 Y CA 0.476 58.600 58.100 0.041 0.000 1.263 490 Y CB -0.192 38.295 38.460 0.045 0.000 1.230 490 Y HN -0.087 nan 8.280 nan 0.000 0.528 491 S N -0.086 115.756 115.700 0.235 0.000 2.406 491 S HA -0.122 4.346 4.470 -0.003 0.000 0.228 491 S C 1.031 175.725 174.600 0.157 0.000 1.020 491 S CA 0.767 59.077 58.200 0.183 0.000 0.965 491 S CB -0.553 62.762 63.200 0.192 0.000 0.798 491 S HN 0.493 nan 8.310 nan 0.000 0.488 492 N N 0.970 119.758 118.700 0.147 0.000 2.714 492 N HA -0.140 4.598 4.740 -0.003 0.000 0.253 492 N C 0.400 176.067 175.510 0.262 0.000 1.024 492 N CA 0.933 54.094 53.050 0.184 0.000 0.726 492 N CB -2.005 36.574 38.487 0.153 0.000 0.908 492 N HN 0.506 nan 8.380 nan 0.000 0.542 493 T N -1.519 113.148 114.554 0.189 0.000 2.788 493 T HA 0.181 4.529 4.350 -0.003 0.000 0.268 493 T C 1.110 175.841 174.700 0.052 0.000 1.044 493 T CA 1.521 63.718 62.100 0.162 0.000 1.139 493 T CB -0.120 68.843 68.868 0.160 0.000 0.867 493 T HN 0.764 nan 8.240 nan 0.000 0.454 494 G N -0.702 108.083 108.800 -0.025 0.000 2.427 494 G HA2 0.557 4.515 3.960 -0.003 0.000 0.306 494 G HA3 0.557 4.515 3.960 -0.003 0.000 0.306 494 G C -2.070 172.721 174.900 -0.181 0.000 1.280 494 G CA -0.949 43.923 45.100 -0.379 0.000 0.837 494 G HN 0.216 nan 8.290 nan 0.000 0.482 495 I N 0.352 120.794 120.570 -0.213 0.000 2.498 495 I HA 0.502 4.670 4.170 -0.003 0.000 0.290 495 I C -1.061 175.110 176.117 0.089 0.000 1.032 495 I CA -0.786 60.509 61.300 -0.008 0.000 1.073 495 I CB 2.078 40.090 38.000 0.019 0.000 1.251 495 I HN 0.394 nan 8.210 nan 0.000 0.426 496 L N 6.064 127.325 121.223 0.063 0.000 2.334 496 L HA 0.767 5.105 4.340 -0.003 0.000 0.276 496 L C -0.123 176.760 176.870 0.021 0.000 1.014 496 L CA -0.237 54.573 54.840 -0.050 0.000 0.815 496 L CB 1.662 43.595 42.059 -0.211 0.000 1.268 496 L HN 0.670 nan 8.230 nan 0.000 0.428 497 A N 6.109 128.760 122.820 -0.282 0.000 2.302 497 A HA 0.517 4.835 4.320 -0.003 0.000 0.295 497 A C -0.190 177.083 177.584 -0.519 0.000 1.235 497 A CA -0.356 51.334 52.037 -0.578 0.000 0.876 497 A CB -0.260 17.763 19.000 -1.627 0.000 1.133 497 A HN 0.783 nan 8.150 nan 0.000 0.533 498 M N 3.983 123.440 119.600 -0.239 0.000 2.664 498 M HA 0.145 4.623 4.480 -0.003 0.000 0.332 498 M C -0.090 176.146 176.300 -0.106 0.000 1.354 498 M CA 0.284 55.479 55.300 -0.175 0.000 1.399 498 M CB 0.048 32.617 32.600 -0.052 0.000 1.224 498 M HN 0.545 nan 8.290 nan 0.000 0.479 499 K N 2.049 122.301 120.400 -0.246 0.000 2.237 499 K HA 0.215 4.533 4.320 -0.003 0.000 0.270 499 K C 0.086 176.678 176.600 -0.014 0.000 1.015 499 K CA -0.424 55.791 56.287 -0.120 0.000 0.949 499 K CB 1.115 33.451 32.500 -0.273 0.000 0.976 499 K HN 0.403 nan 8.250 nan 0.000 0.472 500 K N 2.719 123.161 120.400 0.071 0.000 2.451 500 K HA -0.019 4.299 4.320 -0.003 0.000 0.280 500 K C 0.386 177.014 176.600 0.046 0.000 1.020 500 K CA 0.219 56.540 56.287 0.058 0.000 1.008 500 K CB 0.378 32.919 32.500 0.067 0.000 0.917 500 K HN 0.526 nan 8.250 nan 0.000 0.478 501 I N 3.588 124.204 120.570 0.076 0.000 2.947 501 I HA -0.007 4.161 4.170 -0.003 0.000 0.263 501 I C 0.226 176.397 176.117 0.090 0.000 1.130 501 I CA 0.041 61.395 61.300 0.090 0.000 1.448 501 I CB 0.795 38.891 38.000 0.161 0.000 1.222 501 I HN 0.466 nan 8.210 nan 0.000 0.453 502 V N -2.716 117.251 119.914 0.087 0.000 3.160 502 V HA 0.532 4.650 4.120 -0.003 0.000 0.310 502 V C -0.671 175.440 176.094 0.030 0.000 1.181 502 V CA -1.028 61.312 62.300 0.067 0.000 1.047 502 V CB 1.881 33.759 31.823 0.092 0.000 1.068 502 V HN -0.114 nan 8.190 nan 0.000 0.441 503 E N 1.528 121.739 120.200 0.018 0.000 2.390 503 E HA 0.383 4.731 4.350 -0.003 0.000 0.261 503 E C -2.514 174.071 176.600 -0.026 0.000 1.076 503 E CA -1.994 54.404 56.400 -0.002 0.000 0.905 503 E CB 0.388 30.088 29.700 -0.001 0.000 0.984 503 E HN 0.617 nan 8.360 nan 0.000 0.427 504 P HA -0.067 nan 4.420 nan 0.000 0.263 504 P C -0.286 176.981 177.300 -0.054 0.000 1.175 504 P CA 0.543 63.617 63.100 -0.044 0.000 0.761 504 P CB 0.364 32.048 31.700 -0.026 0.000 0.794 505 L N 4.352 125.526 121.223 -0.082 0.000 2.375 505 L HA 0.204 4.542 4.340 -0.003 0.000 0.271 505 L C 0.756 177.595 176.870 -0.051 0.000 1.107 505 L CA -0.354 54.374 54.840 -0.186 0.000 0.806 505 L CB 0.003 41.901 42.059 -0.269 0.000 1.146 505 L HN 0.554 nan 8.230 nan 0.000 0.447 506 Y N 1.078 121.397 120.300 0.032 0.000 2.845 506 Y HA -0.421 4.127 4.550 -0.004 0.000 0.468 506 Y C 1.124 177.089 175.900 0.108 0.000 1.163 506 Y CA 1.344 59.465 58.100 0.036 0.000 2.636 506 Y CB -0.742 37.647 38.460 -0.119 0.000 1.194 506 Y HN 0.586 nan 8.280 nan 0.000 0.626 507 E N 1.327 121.735 120.200 0.347 0.000 2.496 507 E HA 0.528 4.876 4.350 -0.003 0.000 0.200 507 E C 0.015 176.893 176.600 0.463 0.000 1.016 507 E CA 0.276 56.926 56.400 0.417 0.000 0.962 507 E CB 0.288 30.298 29.700 0.517 0.000 1.071 507 E HN 0.475 nan 8.360 nan 0.000 0.457 508 A N 1.722 124.709 122.820 0.277 0.000 2.498 508 A HA 0.279 4.597 4.320 -0.003 0.000 0.239 508 A C 0.204 177.869 177.584 0.134 0.000 1.068 508 A CA 0.297 52.468 52.037 0.222 0.000 0.766 508 A CB 0.369 19.439 19.000 0.117 0.000 1.003 508 A HN 0.183 nan 8.150 nan 0.000 0.497 509 R N 0.633 121.177 120.500 0.073 0.000 2.771 509 R HA 0.487 4.825 4.340 -0.003 0.000 0.274 509 R C -0.150 176.100 176.300 -0.083 0.000 0.987 509 R CA -0.396 55.628 56.100 -0.126 0.000 0.908 509 R CB 2.054 32.068 30.300 -0.476 0.000 1.213 509 R HN 0.919 nan 8.270 nan 0.000 0.468 510 S N -0.008 115.649 115.700 -0.071 0.000 2.579 510 S HA 0.018 4.486 4.470 -0.003 0.000 0.275 510 S C 0.563 175.185 174.600 0.037 0.000 1.345 510 S CA -0.487 57.707 58.200 -0.010 0.000 1.031 510 S CB 0.771 63.972 63.200 0.002 0.000 0.892 510 S HN 0.559 nan 8.310 nan 0.000 0.529 511 D N 0.464 120.939 120.400 0.126 0.000 2.182 511 D HA -0.168 4.469 4.640 -0.003 0.000 0.201 511 D C 1.417 177.840 176.300 0.205 0.000 0.986 511 D CA 1.644 55.722 54.000 0.130 0.000 0.847 511 D CB -0.249 40.745 40.800 0.324 0.000 0.942 511 D HN 0.804 nan 8.370 nan 0.000 0.467 512 Y N 2.261 122.716 120.300 0.258 0.000 2.128 512 Y HA -0.226 4.321 4.550 -0.004 0.000 0.284 512 Y C 1.814 177.830 175.900 0.193 0.000 1.154 512 Y CA 1.748 60.047 58.100 0.330 0.000 1.149 512 Y CB -0.081 38.557 38.460 0.296 0.000 0.976 512 Y HN -0.180 nan 8.280 nan 0.000 0.505 513 D N 0.122 120.667 120.400 0.242 0.000 2.144 513 D HA -0.163 4.474 4.640 -0.003 0.000 0.200 513 D C 2.273 178.461 176.300 -0.188 0.000 0.978 513 D CA 1.694 55.714 54.000 0.034 0.000 0.833 513 D CB -0.300 40.481 40.800 -0.031 0.000 0.961 513 D HN 0.466 nan 8.370 nan 0.000 0.470 514 I N 0.039 120.450 120.570 -0.265 0.000 2.142 514 I HA -0.258 3.910 4.170 -0.003 0.000 0.240 514 I C 2.010 177.945 176.117 -0.303 0.000 1.078 514 I CA 0.811 61.899 61.300 -0.354 0.000 1.343 514 I CB -0.228 37.485 38.000 -0.478 0.000 1.046 514 I HN -0.111 nan 8.210 nan 0.000 0.405 515 F N 1.075 120.908 119.950 -0.196 0.000 2.171 515 F HA -0.160 4.365 4.527 -0.003 0.000 0.300 515 F C 2.592 177.825 175.800 -0.945 0.000 1.090 515 F CA 1.063 58.783 58.000 -0.467 0.000 1.293 515 F CB -1.165 37.576 39.000 -0.431 0.000 1.013 515 F HN 0.008 nan 8.300 nan 0.000 0.486 516 A N -0.094 122.242 122.820 -0.807 0.000 1.933 516 A HA -0.031 4.287 4.320 -0.003 0.000 0.218 516 A C 2.434 179.818 177.584 -0.334 0.000 1.175 516 A CA 1.726 53.330 52.037 -0.721 0.000 0.628 516 A CB -1.191 17.617 19.000 -0.319 0.000 0.814 516 A HN 0.287 nan 8.150 nan 0.000 0.444 517 A N -0.749 121.935 122.820 -0.226 0.000 1.968 517 A HA 0.112 4.430 4.320 -0.003 0.000 0.217 517 A C 2.181 179.719 177.584 -0.077 0.000 1.169 517 A CA 1.549 53.513 52.037 -0.121 0.000 0.638 517 A CB -0.644 18.288 19.000 -0.113 0.000 0.812 517 A HN 0.337 nan 8.150 nan 0.000 0.446 518 V N -0.175 119.691 119.914 -0.079 0.000 2.323 518 V HA -0.179 3.938 4.120 -0.003 0.000 0.244 518 V C 3.050 179.121 176.094 -0.039 0.000 1.041 518 V CA 1.703 64.004 62.300 0.002 0.000 1.025 518 V CB -1.206 30.678 31.823 0.102 0.000 0.656 518 V HN 0.576 nan 8.190 nan 0.000 0.451 519 A N 0.067 122.797 122.820 -0.149 0.000 1.948 519 A HA -0.308 4.010 4.320 -0.003 0.000 0.220 519 A C 2.174 179.739 177.584 -0.032 0.000 1.177 519 A CA 2.296 54.271 52.037 -0.103 0.000 0.636 519 A CB -0.547 18.345 19.000 -0.181 0.000 0.815 519 A HN 0.582 nan 8.150 nan 0.000 0.449 520 E N -0.006 120.166 120.200 -0.046 0.000 2.077 520 E HA -0.170 4.177 4.350 -0.003 0.000 0.193 520 E C 2.100 178.706 176.600 0.010 0.000 0.989 520 E CA 1.517 57.913 56.400 -0.007 0.000 0.800 520 E CB -0.185 29.507 29.700 -0.014 0.000 0.746 520 E HN 0.617 nan 8.360 nan 0.000 0.452 521 R N -0.451 120.056 120.500 0.013 0.000 2.189 521 R HA 0.052 4.390 4.340 -0.003 0.000 0.218 521 R C 1.883 178.204 176.300 0.036 0.000 1.074 521 R CA 0.769 56.887 56.100 0.030 0.000 0.991 521 R CB -0.093 30.232 30.300 0.042 0.000 0.883 521 R HN 0.243 nan 8.270 nan 0.000 0.457 522 L N -0.432 120.812 121.223 0.035 0.000 2.599 522 L HA 0.176 4.514 4.340 -0.003 0.000 0.230 522 L C 1.010 177.904 176.870 0.039 0.000 1.141 522 L CA 0.380 55.245 54.840 0.042 0.000 0.877 522 L CB 0.130 42.217 42.059 0.047 0.000 1.009 522 L HN 0.441 nan 8.230 nan 0.000 0.447 523 G N 0.348 109.168 108.800 0.034 0.000 2.136 523 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.242 523 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.242 523 G C 0.489 175.414 174.900 0.041 0.000 0.989 523 G CA -0.109 45.011 45.100 0.034 0.000 0.682 523 G HN 0.281 nan 8.290 nan 0.000 0.522 524 K N 0.232 120.661 120.400 0.047 0.000 2.934 524 K HA 0.355 4.673 4.320 -0.003 0.000 0.210 524 K C 1.855 178.509 176.600 0.091 0.000 1.122 524 K CA 0.250 56.577 56.287 0.067 0.000 1.033 524 K CB 0.604 33.149 32.500 0.075 0.000 0.779 524 K HN 0.298 nan 8.250 nan 0.000 0.459 525 G N 1.655 110.498 108.800 0.073 0.000 2.421 525 G HA2 -0.299 3.659 3.960 -0.003 0.000 0.216 525 G HA3 -0.299 3.659 3.960 -0.003 0.000 0.216 525 G C 1.632 176.617 174.900 0.140 0.000 1.171 525 G CA 0.926 46.079 45.100 0.089 0.000 0.775 525 G HN 0.240 nan 8.290 nan 0.000 0.543 526 K N 0.673 121.136 120.400 0.105 0.000 2.148 526 K HA -0.020 4.298 4.320 -0.003 0.000 0.204 526 K C 2.330 179.001 176.600 0.119 0.000 1.050 526 K CA 1.344 57.692 56.287 0.101 0.000 0.942 526 K CB -0.186 32.350 32.500 0.059 0.000 0.724 526 K HN 0.277 nan 8.250 nan 0.000 0.446 527 E N -0.752 119.520 120.200 0.119 0.000 2.150 527 E HA -0.102 4.246 4.350 -0.003 0.000 0.193 527 E C 1.552 178.245 176.600 0.155 0.000 0.985 527 E CA 1.117 57.585 56.400 0.114 0.000 0.814 527 E CB -0.252 29.506 29.700 0.098 0.000 0.752 527 E HN 0.370 nan 8.360 nan 0.000 0.466 528 F N 0.741 120.723 119.950 0.053 0.000 2.149 528 F HA -0.132 4.393 4.527 -0.004 0.000 0.294 528 F C 2.334 178.216 175.800 0.136 0.000 1.095 528 F CA 1.750 59.773 58.000 0.038 0.000 1.276 528 F CB -0.398 38.583 39.000 -0.031 0.000 1.023 528 F HN 0.059 nan 8.300 nan 0.000 0.480 529 T N -2.953 111.822 114.554 0.368 0.000 3.043 529 T HA 0.009 4.357 4.350 -0.003 0.000 0.263 529 T C 1.111 176.045 174.700 0.391 0.000 1.094 529 T CA 0.920 63.291 62.100 0.453 0.000 1.127 529 T CB -0.110 69.008 68.868 0.416 0.000 0.905 529 T HN 0.288 nan 8.240 nan 0.000 0.490 530 E N 0.614 120.933 120.200 0.198 0.000 2.971 530 E HA -0.162 4.186 4.350 -0.003 0.000 0.278 530 E C 1.046 177.588 176.600 -0.097 0.000 1.009 530 E CA 1.178 57.596 56.400 0.030 0.000 0.862 530 E CB -1.948 27.730 29.700 -0.037 0.000 1.436 530 E HN 1.135 nan 8.360 nan 0.000 0.434 531 G N -0.674 108.110 108.800 -0.027 0.000 2.166 531 G HA2 -0.401 3.557 3.960 -0.003 0.000 0.260 531 G HA3 -0.401 3.557 3.960 -0.003 0.000 0.260 531 G C 0.242 175.047 174.900 -0.158 0.000 0.986 531 G CA 0.915 45.975 45.100 -0.067 0.000 0.683 531 G HN 0.406 nan 8.290 nan 0.000 0.527 532 K N 0.658 120.901 120.400 -0.262 0.000 2.156 532 K HA 0.534 4.852 4.320 -0.003 0.000 0.254 532 K C -0.109 176.381 176.600 -0.184 0.000 0.950 532 K CA -0.475 55.541 56.287 -0.452 0.000 0.849 532 K CB 1.320 33.076 32.500 -1.241 0.000 1.100 532 K HN 0.315 nan 8.250 nan 0.000 0.434 533 D N 0.009 120.305 120.400 -0.173 0.000 2.549 533 D HA 0.006 4.644 4.640 -0.003 0.000 0.270 533 D C 0.842 177.108 176.300 -0.056 0.000 1.181 533 D CA -0.549 53.429 54.000 -0.036 0.000 1.070 533 D CB 0.457 41.231 40.800 -0.044 0.000 1.154 533 D HN 0.634 nan 8.370 nan 0.000 0.602 534 E N -0.941 119.212 120.200 -0.079 0.000 2.065 534 E HA -0.237 4.111 4.350 -0.003 0.000 0.201 534 E C 1.875 178.396 176.600 -0.131 0.000 1.016 534 E CA 1.555 57.885 56.400 -0.117 0.000 0.818 534 E CB -0.023 29.642 29.700 -0.059 0.000 0.749 534 E HN 0.327 nan 8.360 nan 0.000 0.453 535 M N -0.116 119.383 119.600 -0.168 0.000 2.254 535 M HA -0.003 4.474 4.480 -0.003 0.000 0.265 535 M C 2.375 178.467 176.300 -0.348 0.000 1.066 535 M CA 1.311 56.456 55.300 -0.259 0.000 1.123 535 M CB -1.103 31.341 32.600 -0.261 0.000 1.388 535 M HN 0.283 nan 8.290 nan 0.000 0.425 536 G N -1.025 107.582 108.800 -0.322 0.000 2.418 536 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.217 536 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.217 536 G C 1.409 176.011 174.900 -0.496 0.000 1.158 536 G CA 0.316 45.167 45.100 -0.415 0.000 0.771 536 G HN 0.451 nan 8.290 nan 0.000 0.545 537 W N 0.661 121.669 121.300 -0.487 0.000 2.355 537 W HA 0.049 4.707 4.660 -0.003 0.000 0.309 537 W C 2.592 178.428 176.519 -1.137 0.000 1.206 537 W CA 0.259 57.155 57.345 -0.748 0.000 1.284 537 W CB -0.197 28.909 29.460 -0.589 0.000 1.145 537 W HN 0.103 nan 8.180 nan 0.000 0.502 538 I N 0.391 120.693 120.570 -0.447 0.000 2.163 538 I HA -0.358 3.810 4.170 -0.003 0.000 0.243 538 I C 2.422 178.342 176.117 -0.328 0.000 1.085 538 I CA 1.653 62.795 61.300 -0.265 0.000 1.347 538 I CB -0.622 37.357 38.000 -0.034 0.000 1.044 538 I HN -0.051 nan 8.210 nan 0.000 0.408 539 K N 1.025 121.024 120.400 -0.668 0.000 2.057 539 K HA -0.209 4.108 4.320 -0.003 0.000 0.207 539 K C 2.295 178.644 176.600 -0.419 0.000 1.049 539 K CA 1.920 57.648 56.287 -0.931 0.000 0.931 539 K CB -0.124 31.734 32.500 -1.070 0.000 0.714 539 K HN 0.380 nan 8.250 nan 0.000 0.440 540 S N -0.296 115.152 115.700 -0.419 0.000 2.402 540 S HA -0.118 4.350 4.470 -0.003 0.000 0.229 540 S C 1.769 176.344 174.600 -0.043 0.000 1.021 540 S CA 0.738 58.789 58.200 -0.248 0.000 0.974 540 S CB -0.544 62.485 63.200 -0.285 0.000 0.800 540 S HN 0.249 nan 8.310 nan 0.000 0.484 541 F N 0.875 120.852 119.950 0.044 0.000 2.146 541 F HA 0.136 4.661 4.527 -0.004 0.000 0.298 541 F C 2.404 178.232 175.800 0.047 0.000 1.096 541 F CA -0.017 58.017 58.000 0.056 0.000 1.275 541 F CB -1.645 37.404 39.000 0.082 0.000 1.008 541 F HN 0.239 nan 8.300 nan 0.000 0.480 542 Y N 1.453 121.855 120.300 0.170 0.000 2.114 542 Y HA -0.255 4.293 4.550 -0.004 0.000 0.284 542 Y C 2.199 178.137 175.900 0.062 0.000 1.143 542 Y CA 1.969 60.136 58.100 0.112 0.000 1.135 542 Y CB -0.601 38.010 38.460 0.252 0.000 0.980 542 Y HN -0.046 nan 8.280 nan 0.000 0.499 543 D N 0.163 120.622 120.400 0.098 0.000 2.123 543 D HA -0.186 4.452 4.640 -0.003 0.000 0.196 543 D C 1.742 178.002 176.300 -0.066 0.000 0.992 543 D CA 1.736 55.745 54.000 0.016 0.000 0.833 543 D CB -0.442 40.371 40.800 0.022 0.000 0.954 543 D HN 0.434 nan 8.370 nan 0.000 0.455 544 D N 0.024 120.405 120.400 -0.032 0.000 2.117 544 D HA -0.080 4.558 4.640 -0.003 0.000 0.197 544 D C 1.993 178.240 176.300 -0.088 0.000 0.987 544 D CA 1.339 55.319 54.000 -0.032 0.000 0.829 544 D CB -0.330 40.487 40.800 0.029 0.000 0.961 544 D HN 0.163 nan 8.370 nan 0.000 0.460 545 A N 0.810 123.547 122.820 -0.139 0.000 1.898 545 A HA -0.010 4.308 4.320 -0.003 0.000 0.216 545 A C 2.287 179.726 177.584 -0.242 0.000 1.181 545 A CA 2.081 54.005 52.037 -0.188 0.000 0.620 545 A CB -0.700 18.174 19.000 -0.210 0.000 0.819 545 A HN 0.227 nan 8.150 nan 0.000 0.442 546 A N 0.350 122.963 122.820 -0.346 0.000 1.902 546 A HA -0.180 4.138 4.320 -0.003 0.000 0.217 546 A C 2.142 179.650 177.584 -0.127 0.000 1.181 546 A CA 2.035 53.914 52.037 -0.263 0.000 0.623 546 A CB -0.482 18.358 19.000 -0.268 0.000 0.818 546 A HN 0.634 nan 8.150 nan 0.000 0.443 547 K N -0.189 120.149 120.400 -0.102 0.000 2.057 547 K HA -0.252 4.066 4.320 -0.003 0.000 0.207 547 K C 2.212 178.770 176.600 -0.071 0.000 1.049 547 K CA 1.797 58.045 56.287 -0.064 0.000 0.931 547 K CB -0.316 32.155 32.500 -0.047 0.000 0.714 547 K HN 0.609 nan 8.250 nan 0.000 0.440 548 Q N 0.109 119.855 119.800 -0.090 0.000 2.084 548 Q HA -0.119 4.219 4.340 -0.003 0.000 0.202 548 Q C 2.003 177.936 176.000 -0.112 0.000 0.978 548 Q CA 1.819 57.565 55.803 -0.095 0.000 0.844 548 Q CB -0.379 28.295 28.738 -0.106 0.000 0.898 548 Q HN 0.500 nan 8.270 nan 0.000 0.426 549 G N 1.263 109.982 108.800 -0.135 0.000 2.459 549 G HA2 -0.279 3.679 3.960 -0.003 0.000 0.217 549 G HA3 -0.279 3.679 3.960 -0.003 0.000 0.217 549 G C 1.398 176.248 174.900 -0.083 0.000 1.183 549 G CA 0.884 45.900 45.100 -0.141 0.000 0.776 549 G HN 0.273 nan 8.290 nan 0.000 0.552 550 K N 0.430 120.795 120.400 -0.057 0.000 2.000 550 K HA -0.176 4.141 4.320 -0.003 0.000 0.218 550 K C 2.993 179.573 176.600 -0.033 0.000 1.053 550 K CA 1.365 57.633 56.287 -0.031 0.000 0.946 550 K CB -0.495 31.992 32.500 -0.022 0.000 0.723 550 K HN 0.242 nan 8.250 nan 0.000 0.446 551 A N 1.248 124.044 122.820 -0.041 0.000 1.896 551 A HA -0.257 4.061 4.320 -0.003 0.000 0.220 551 A C 2.259 179.820 177.584 -0.039 0.000 1.206 551 A CA 2.584 54.599 52.037 -0.037 0.000 0.647 551 A CB -0.920 18.054 19.000 -0.042 0.000 0.828 551 A HN 0.483 nan 8.150 nan 0.000 0.455 552 A N -2.210 120.577 122.820 -0.054 0.000 2.239 552 A HA 0.382 4.700 4.320 -0.003 0.000 0.209 552 A C 1.887 179.445 177.584 -0.043 0.000 1.171 552 A CA 1.291 53.294 52.037 -0.056 0.000 0.768 552 A CB -1.090 17.858 19.000 -0.087 0.000 0.790 552 A HN 2.186 nan 8.150 nan 0.000 0.478 553 G N -2.023 106.758 108.800 -0.032 0.000 2.132 553 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.234 553 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.234 553 G C 0.064 174.960 174.900 -0.008 0.000 0.989 553 G CA 0.133 45.225 45.100 -0.015 0.000 0.676 553 G HN 0.779 nan 8.290 nan 0.000 0.522 554 V N 1.140 121.040 119.914 -0.024 0.000 2.350 554 V HA 0.390 4.508 4.120 -0.003 0.000 0.276 554 V C 0.491 176.604 176.094 0.032 0.000 1.028 554 V CA -0.528 61.771 62.300 -0.001 0.000 0.860 554 V CB 1.408 33.189 31.823 -0.071 0.000 0.990 554 V HN 0.408 nan 8.190 nan 0.000 0.453 555 E N 5.567 125.808 120.200 0.069 0.000 2.289 555 E HA 0.529 4.877 4.350 -0.003 0.000 0.278 555 E C -0.612 176.062 176.600 0.124 0.000 1.032 555 E CA -0.075 56.372 56.400 0.079 0.000 0.854 555 E CB 1.308 31.052 29.700 0.072 0.000 1.046 555 E HN 0.554 nan 8.360 nan 0.000 0.409 556 M N 3.327 123.000 119.600 0.122 0.000 2.457 556 M HA 0.384 4.862 4.480 -0.003 0.000 0.300 556 M C -2.302 174.119 176.300 0.201 0.000 1.141 556 M CA -2.033 53.374 55.300 0.178 0.000 0.901 556 M CB 2.008 34.693 32.600 0.142 0.000 1.687 556 M HN 0.383 nan 8.290 nan 0.000 0.449 557 P HA 0.352 nan 4.420 nan 0.000 0.273 557 P C -0.864 176.619 177.300 0.305 0.000 1.250 557 P CA -0.460 62.776 63.100 0.228 0.000 0.793 557 P CB 0.303 32.123 31.700 0.200 0.000 1.011 558 A N 0.340 123.295 122.820 0.225 0.000 2.366 558 A HA 0.078 4.396 4.320 -0.003 0.000 0.250 558 A C 1.127 178.858 177.584 0.244 0.000 1.099 558 A CA -0.308 51.884 52.037 0.259 0.000 0.794 558 A CB -0.628 18.474 19.000 0.170 0.000 1.056 558 A HN 0.601 nan 8.150 nan 0.000 0.499 559 F N 0.363 120.378 119.950 0.109 0.000 2.043 559 F HA -0.248 4.277 4.527 -0.003 0.000 0.297 559 F C 1.733 177.539 175.800 0.010 0.000 1.118 559 F CA 2.810 60.759 58.000 -0.084 0.000 1.202 559 F CB -0.141 38.852 39.000 -0.013 0.000 0.965 559 F HN 0.653 nan 8.300 nan 0.000 0.482 560 D N 0.140 120.507 120.400 -0.055 0.000 2.218 560 D HA -0.108 4.530 4.640 -0.003 0.000 0.204 560 D C 2.286 178.514 176.300 -0.120 0.000 0.976 560 D CA 1.275 55.189 54.000 -0.142 0.000 0.853 560 D CB -0.523 40.277 40.800 -0.000 0.000 0.939 560 D HN 0.416 nan 8.370 nan 0.000 0.481 561 A N 0.411 123.202 122.820 -0.049 0.000 1.929 561 A HA -0.114 4.204 4.320 -0.003 0.000 0.216 561 A C 2.015 179.560 177.584 -0.065 0.000 1.176 561 A CA 0.691 52.710 52.037 -0.031 0.000 0.628 561 A CB -0.818 18.201 19.000 0.032 0.000 0.816 561 A HN 0.271 nan 8.150 nan 0.000 0.444 562 F N -0.702 119.114 119.950 -0.222 0.000 2.102 562 F HA -0.186 4.339 4.527 -0.003 0.000 0.298 562 F C 2.159 177.773 175.800 -0.309 0.000 1.105 562 F CA 1.682 59.518 58.000 -0.274 0.000 1.239 562 F CB -0.510 38.207 39.000 -0.472 0.000 0.991 562 F HN 0.475 nan 8.300 nan 0.000 0.474 563 W N 1.357 122.038 121.300 -1.031 0.000 2.363 563 W HA -0.205 4.454 4.660 -0.003 0.000 0.296 563 W C 2.376 178.520 176.519 -0.626 0.000 1.212 563 W CA 2.168 58.908 57.345 -1.007 0.000 1.260 563 W CB -0.593 28.331 29.460 -0.892 0.000 1.131 563 W HN 0.244 nan 8.180 nan 0.000 0.530 564 A N 0.553 123.203 122.820 -0.283 0.000 1.933 564 A HA -0.235 4.083 4.320 -0.003 0.000 0.218 564 A C 1.785 179.195 177.584 -0.290 0.000 1.175 564 A CA 1.902 53.804 52.037 -0.224 0.000 0.628 564 A CB -0.805 18.121 19.000 -0.122 0.000 0.814 564 A HN 0.458 nan 8.150 nan 0.000 0.444 565 E N -1.975 118.036 120.200 -0.315 0.000 2.107 565 E HA 0.168 4.516 4.350 -0.003 0.000 0.191 565 E C 1.523 177.882 176.600 -0.401 0.000 0.982 565 E CA 0.511 56.747 56.400 -0.274 0.000 0.809 565 E CB -0.184 29.411 29.700 -0.176 0.000 0.756 565 E HN 0.752 nan 8.360 nan 0.000 0.459 566 G N 1.461 109.855 108.800 -0.677 0.000 2.241 566 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.244 566 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.244 566 G C 0.189 174.684 174.900 -0.676 0.000 0.998 566 G CA 0.423 45.030 45.100 -0.822 0.000 0.621 566 G HN 0.344 nan 8.290 nan 0.000 0.519 567 I N -0.316 120.019 120.570 -0.392 0.000 2.908 567 I HA 0.605 4.773 4.170 -0.003 0.000 0.300 567 I C -1.306 174.866 176.117 0.091 0.000 1.385 567 I CA -1.156 60.084 61.300 -0.100 0.000 1.004 567 I CB 2.187 40.065 38.000 -0.203 0.000 1.309 567 I HN 0.047 nan 8.210 nan 0.000 0.449 568 V N 5.165 125.150 119.914 0.119 0.000 2.588 568 V HA 0.540 4.658 4.120 -0.003 0.000 0.304 568 V C -0.652 175.264 176.094 -0.297 0.000 1.042 568 V CA -0.594 61.699 62.300 -0.011 0.000 0.877 568 V CB 1.789 33.595 31.823 -0.028 0.000 0.996 568 V HN 0.701 nan 8.190 nan 0.000 0.425 569 E N 2.737 122.795 120.200 -0.238 0.000 2.207 569 E HA 0.681 5.029 4.350 -0.003 0.000 0.270 569 E C -1.648 174.804 176.600 -0.247 0.000 0.927 569 E CA -0.571 55.660 56.400 -0.282 0.000 0.799 569 E CB 2.308 31.992 29.700 -0.027 0.000 1.172 569 E HN 0.495 nan 8.360 nan 0.000 0.404 570 F N 1.548 121.546 119.950 0.079 0.000 2.507 570 F HA 0.421 4.946 4.527 -0.003 0.000 0.327 570 F C -1.944 173.892 175.800 0.059 0.000 1.068 570 F CA -2.773 55.262 58.000 0.058 0.000 0.965 570 F CB 0.473 39.498 39.000 0.041 0.000 1.192 570 F HN 0.218 nan 8.300 nan 0.000 0.476 571 P HA 0.265 nan 4.420 nan 0.000 0.282 571 P C -0.892 176.486 177.300 0.131 0.000 1.249 571 P CA -0.307 62.886 63.100 0.154 0.000 0.806 571 P CB 1.487 33.258 31.700 0.118 0.000 0.984 572 V N 3.003 122.983 119.914 0.109 0.000 2.385 572 V HA 0.141 4.259 4.120 -0.003 0.000 0.269 572 V C 1.608 177.747 176.094 0.075 0.000 1.043 572 V CA 0.332 62.689 62.300 0.094 0.000 0.906 572 V CB 0.526 32.408 31.823 0.099 0.000 0.995 572 V HN 0.840 nan 8.190 nan 0.000 0.467 573 T N 1.256 115.847 114.554 0.063 0.000 3.401 573 T HA 0.031 4.379 4.350 -0.003 0.000 0.225 573 T C 1.014 175.749 174.700 0.058 0.000 0.961 573 T CA 0.785 62.917 62.100 0.053 0.000 1.429 573 T CB -0.141 68.751 68.868 0.039 0.000 1.213 573 T HN 0.615 nan 8.240 nan 0.000 0.440 574 D N 0.729 121.163 120.400 0.057 0.000 2.395 574 D HA 0.257 4.895 4.640 -0.003 0.000 0.213 574 D C 1.964 178.319 176.300 0.091 0.000 1.110 574 D CA 0.241 54.283 54.000 0.070 0.000 0.835 574 D CB -0.713 40.127 40.800 0.065 0.000 0.965 574 D HN 0.577 nan 8.370 nan 0.000 0.505 575 G N 0.890 109.739 108.800 0.082 0.000 2.462 575 G HA2 -0.186 3.772 3.960 -0.003 0.000 0.220 575 G HA3 -0.186 3.772 3.960 -0.003 0.000 0.220 575 G C 1.535 176.516 174.900 0.135 0.000 1.121 575 G CA 0.812 45.966 45.100 0.091 0.000 0.758 575 G HN 0.461 nan 8.290 nan 0.000 0.559 576 A N 0.081 122.977 122.820 0.127 0.000 2.209 576 A HA 0.130 4.448 4.320 -0.003 0.000 0.212 576 A C 1.650 179.316 177.584 0.136 0.000 1.158 576 A CA 1.353 53.473 52.037 0.137 0.000 0.742 576 A CB 0.026 19.097 19.000 0.119 0.000 0.790 576 A HN 0.218 nan 8.150 nan 0.000 0.472 577 D N -1.614 118.867 120.400 0.135 0.000 2.363 577 D HA 0.141 4.779 4.640 -0.003 0.000 0.214 577 D C -0.206 176.164 176.300 0.117 0.000 1.093 577 D CA -0.277 53.788 54.000 0.107 0.000 0.837 577 D CB -0.070 40.782 40.800 0.086 0.000 0.948 577 D HN 0.376 nan 8.370 nan 0.000 0.507 578 F N 2.005 121.966 119.950 0.018 0.000 2.578 578 F HA 0.105 4.630 4.527 -0.003 0.000 0.381 578 F C -0.176 175.615 175.800 -0.015 0.000 1.069 578 F CA -0.124 57.874 58.000 -0.003 0.000 1.231 578 F CB 0.525 39.518 39.000 -0.011 0.000 1.086 578 F HN -0.358 nan 8.300 nan 0.000 0.564 579 V N 7.931 127.369 119.914 -0.794 0.000 2.376 579 V HA 0.327 4.445 4.120 -0.003 0.000 0.287 579 V C 0.112 175.636 176.094 -0.949 0.000 1.015 579 V CA -1.006 60.908 62.300 -0.644 0.000 0.834 579 V CB 1.288 32.933 31.823 -0.297 0.000 1.001 579 V HN 0.721 nan 8.190 nan 0.000 0.428 580 R N 3.363 123.359 120.500 -0.840 0.000 2.570 580 R HA 0.158 4.496 4.340 -0.003 0.000 0.277 580 R C 0.066 176.230 176.300 -0.226 0.000 1.039 580 R CA 0.479 56.228 56.100 -0.584 0.000 1.065 580 R CB 0.007 30.124 30.300 -0.306 0.000 0.964 580 R HN 0.711 nan 8.270 nan 0.000 0.428 581 Y N 0.283 120.494 120.300 -0.147 0.000 4.929 581 Y HA -0.355 4.193 4.550 -0.003 0.000 0.253 581 Y C 1.318 177.239 175.900 0.035 0.000 0.946 581 Y CA 0.931 59.036 58.100 0.008 0.000 1.905 581 Y CB -2.046 36.445 38.460 0.051 0.000 1.400 581 Y HN 0.782 nan 8.280 nan 0.000 0.531 582 A N 0.109 122.938 122.820 0.014 0.000 1.933 582 A HA -0.178 4.139 4.320 -0.003 0.000 0.218 582 A C 2.287 179.911 177.584 0.068 0.000 1.175 582 A CA 2.291 54.335 52.037 0.012 0.000 0.628 582 A CB -0.799 18.158 19.000 -0.072 0.000 0.814 582 A HN 0.790 nan 8.150 nan 0.000 0.444 583 S N -1.389 114.363 115.700 0.086 0.000 2.406 583 S HA -0.116 4.352 4.470 -0.003 0.000 0.228 583 S C 1.809 176.529 174.600 0.200 0.000 1.020 583 S CA 1.207 59.476 58.200 0.114 0.000 0.965 583 S CB -0.626 62.630 63.200 0.094 0.000 0.798 583 S HN 0.513 nan 8.310 nan 0.000 0.488 584 F N 2.896 122.916 119.950 0.116 0.000 2.102 584 F HA 0.124 4.649 4.527 -0.003 0.000 0.298 584 F C 2.601 178.526 175.800 0.208 0.000 1.105 584 F CA 1.452 59.560 58.000 0.181 0.000 1.239 584 F CB -0.540 38.625 39.000 0.274 0.000 0.991 584 F HN 0.134 nan 8.300 nan 0.000 0.474 585 R N 0.343 120.868 120.500 0.042 0.000 2.081 585 R HA -0.197 4.141 4.340 -0.003 0.000 0.235 585 R C 2.384 178.690 176.300 0.010 0.000 1.131 585 R CA 1.766 57.773 56.100 -0.154 0.000 0.960 585 R CB -0.492 29.747 30.300 -0.102 0.000 0.856 585 R HN 0.507 nan 8.270 nan 0.000 0.436 586 E N -0.340 119.884 120.200 0.040 0.000 2.106 586 E HA -0.177 4.171 4.350 -0.003 0.000 0.192 586 E C -0.399 176.227 176.600 0.043 0.000 0.984 586 E CA 1.162 57.589 56.400 0.044 0.000 0.806 586 E CB 0.270 29.995 29.700 0.041 0.000 0.750 586 E HN 0.082 nan 8.360 nan 0.000 0.458 587 D N -1.422 119.005 120.400 0.045 0.000 2.362 587 D HA 0.081 4.719 4.640 -0.003 0.000 0.232 587 D C -2.283 174.038 176.300 0.034 0.000 1.329 587 D CA -1.367 52.647 54.000 0.023 0.000 0.944 587 D CB 1.445 42.262 40.800 0.029 0.000 1.471 587 D HN -0.081 nan 8.370 nan 0.000 0.533 588 P HA -0.021 nan 4.420 nan 0.000 0.223 588 P C 1.575 178.916 177.300 0.069 0.000 1.151 588 P CA 0.388 63.481 63.100 -0.013 0.000 0.787 588 P CB 0.626 32.147 31.700 -0.299 0.000 0.788 589 L N -1.598 119.631 121.223 0.010 0.000 2.127 589 L HA -0.011 4.327 4.340 -0.003 0.000 0.203 589 L C 2.549 179.446 176.870 0.045 0.000 1.080 589 L CA 0.633 55.486 54.840 0.021 0.000 0.768 589 L CB -1.097 40.955 42.059 -0.011 0.000 0.924 589 L HN -0.067 nan 8.230 nan 0.000 0.444 590 L N -0.132 121.118 121.223 0.045 0.000 2.156 590 L HA 0.036 4.374 4.340 -0.003 0.000 0.208 590 L C 0.781 177.699 176.870 0.079 0.000 1.095 590 L CA 1.478 56.348 54.840 0.051 0.000 0.770 590 L CB -0.114 41.971 42.059 0.042 0.000 0.914 590 L HN 0.268 nan 8.230 nan 0.000 0.439 591 N N 0.621 119.395 118.700 0.122 0.000 2.886 591 N HA 0.299 5.037 4.740 -0.003 0.000 0.285 591 N C -2.590 173.085 175.510 0.275 0.000 1.706 591 N CA -1.075 52.076 53.050 0.169 0.000 0.904 591 N CB 0.620 39.217 38.487 0.182 0.000 1.224 591 N HN 0.199 nan 8.380 nan 0.000 0.488 592 P HA 0.213 nan 4.420 nan 0.000 0.276 592 P C 0.396 177.763 177.300 0.112 0.000 1.244 592 P CA -0.380 62.869 63.100 0.248 0.000 0.801 592 P CB 1.575 33.368 31.700 0.155 0.000 1.006 593 L N 0.452 121.674 121.223 -0.002 0.000 2.466 593 L HA 0.303 4.641 4.340 -0.003 0.000 0.257 593 L C 1.832 178.682 176.870 -0.033 0.000 1.189 593 L CA -0.275 54.497 54.840 -0.113 0.000 0.813 593 L CB 0.023 41.932 42.059 -0.251 0.000 1.118 593 L HN 0.519 nan 8.230 nan 0.000 0.471 594 G N 0.235 109.011 108.800 -0.040 0.000 3.574 594 G HA2 0.179 4.137 3.960 -0.003 0.000 0.262 594 G HA3 0.179 4.137 3.960 -0.003 0.000 0.262 594 G C 0.386 175.263 174.900 -0.039 0.000 1.231 594 G CA -0.161 44.920 45.100 -0.032 0.000 1.608 594 G HN 0.659 nan 8.290 nan 0.000 0.628 595 T N -3.236 111.302 114.554 -0.025 0.000 2.948 595 T HA 0.528 4.876 4.350 -0.003 0.000 0.285 595 T C -1.574 173.128 174.700 0.005 0.000 1.019 595 T CA -1.711 60.378 62.100 -0.018 0.000 1.013 595 T CB 2.308 71.175 68.868 -0.002 0.000 1.117 595 T HN -0.147 nan 8.240 nan 0.000 0.533 596 P HA -0.081 nan 4.420 nan 0.000 0.215 596 P C 1.694 179.014 177.300 0.034 0.000 1.153 596 P CA 1.514 64.627 63.100 0.023 0.000 0.853 596 P CB -0.220 31.498 31.700 0.029 0.000 0.788 597 T N -5.817 108.766 114.554 0.049 0.000 3.067 597 T HA 0.271 4.619 4.350 -0.003 0.000 0.257 597 T C 1.631 176.371 174.700 0.065 0.000 1.105 597 T CA 0.695 62.830 62.100 0.058 0.000 1.104 597 T CB -0.753 68.162 68.868 0.077 0.000 0.925 597 T HN 0.238 nan 8.240 nan 0.000 0.498 598 G N 0.996 109.834 108.800 0.063 0.000 2.157 598 G HA2 -0.179 3.779 3.960 -0.003 0.000 0.248 598 G HA3 -0.179 3.779 3.960 -0.003 0.000 0.248 598 G C -0.120 174.867 174.900 0.146 0.000 0.979 598 G CA 0.346 45.497 45.100 0.084 0.000 0.650 598 G HN 0.633 nan 8.290 nan 0.000 0.529 599 L N -0.405 120.903 121.223 0.141 0.000 2.256 599 L HA 0.663 5.001 4.340 -0.003 0.000 0.261 599 L C 0.802 177.755 176.870 0.138 0.000 1.022 599 L CA -1.589 53.384 54.840 0.223 0.000 0.828 599 L CB 1.478 43.654 42.059 0.195 0.000 1.374 599 L HN -0.034 nan 8.230 nan 0.000 0.436 600 I N 1.183 121.872 120.570 0.198 0.000 2.517 600 I HA 0.020 4.188 4.170 -0.003 0.000 0.285 600 I C 0.091 176.308 176.117 0.168 0.000 1.106 600 I CA 0.229 61.616 61.300 0.146 0.000 1.402 600 I CB 0.265 38.390 38.000 0.209 0.000 1.399 600 I HN 0.476 nan 8.210 nan 0.000 0.535 601 E N 7.210 127.496 120.200 0.142 0.000 2.001 601 E HA 0.203 4.551 4.350 -0.003 0.000 0.279 601 E C 0.699 177.490 176.600 0.318 0.000 1.045 601 E CA -0.174 56.342 56.400 0.194 0.000 0.833 601 E CB 1.245 31.026 29.700 0.135 0.000 1.077 601 E HN 0.626 nan 8.360 nan 0.000 0.397 602 I N 2.031 122.787 120.570 0.310 0.000 2.500 602 I HA -0.130 4.038 4.170 -0.003 0.000 0.252 602 I C 0.543 176.845 176.117 0.308 0.000 1.142 602 I CA 0.778 62.241 61.300 0.271 0.000 1.451 602 I CB 0.208 38.301 38.000 0.154 0.000 1.093 602 I HN 0.437 nan 8.210 nan 0.000 0.430 603 Y N 0.630 121.069 120.300 0.231 0.000 2.364 603 Y HA 0.430 4.978 4.550 -0.003 0.000 0.340 603 Y C -0.107 175.937 175.900 0.240 0.000 0.975 603 Y CA -0.876 57.365 58.100 0.236 0.000 1.089 603 Y CB 1.606 40.161 38.460 0.159 0.000 1.192 603 Y HN -0.238 nan 8.280 nan 0.000 0.454 604 S N 5.436 121.053 115.700 -0.140 0.000 2.474 604 S HA 0.329 4.797 4.470 -0.003 0.000 0.321 604 S C 0.425 174.936 174.600 -0.149 0.000 1.080 604 S CA -0.694 57.475 58.200 -0.052 0.000 1.106 604 S CB 0.908 64.052 63.200 -0.093 0.000 0.984 604 S HN 0.924 nan 8.310 nan 0.000 0.464 605 K N 3.368 123.805 120.400 0.060 0.000 2.148 605 K HA -0.031 4.286 4.320 -0.003 0.000 0.204 605 K C 2.055 178.640 176.600 -0.025 0.000 1.050 605 K CA 0.825 57.164 56.287 0.087 0.000 0.942 605 K CB -0.082 32.499 32.500 0.134 0.000 0.724 605 K HN 0.562 nan 8.250 nan 0.000 0.446 606 N N 1.181 119.851 118.700 -0.049 0.000 2.069 606 N HA -0.164 4.574 4.740 -0.003 0.000 0.191 606 N C 1.694 177.086 175.510 -0.197 0.000 1.031 606 N CA 1.372 54.368 53.050 -0.090 0.000 0.852 606 N CB 0.008 38.472 38.487 -0.038 0.000 1.018 606 N HN 0.148 nan 8.380 nan 0.000 0.423 607 I N 1.018 121.421 120.570 -0.277 0.000 2.439 607 I HA -0.168 4.000 4.170 -0.003 0.000 0.251 607 I C 2.471 178.422 176.117 -0.277 0.000 1.139 607 I CA 0.629 61.723 61.300 -0.343 0.000 1.438 607 I CB -0.271 37.513 38.000 -0.360 0.000 1.085 607 I HN 0.274 nan 8.210 nan 0.000 0.427 608 E N 1.864 121.926 120.200 -0.229 0.000 2.085 608 E HA -0.277 4.071 4.350 -0.003 0.000 0.194 608 E C 2.026 178.540 176.600 -0.143 0.000 0.994 608 E CA 1.469 57.773 56.400 -0.160 0.000 0.801 608 E CB 0.078 29.750 29.700 -0.047 0.000 0.743 608 E HN 0.429 nan 8.360 nan 0.000 0.453 609 K N -0.206 120.112 120.400 -0.138 0.000 2.209 609 K HA -0.117 4.201 4.320 -0.003 0.000 0.204 609 K C 2.162 178.631 176.600 -0.219 0.000 1.048 609 K CA 1.562 57.767 56.287 -0.136 0.000 0.940 609 K CB -0.112 32.327 32.500 -0.102 0.000 0.729 609 K HN 0.259 nan 8.250 nan 0.000 0.451 610 M N -0.434 118.956 119.600 -0.349 0.000 2.296 610 M HA -0.013 4.465 4.480 -0.003 0.000 0.265 610 M C 1.134 177.076 176.300 -0.596 0.000 1.064 610 M CA 1.257 56.200 55.300 -0.596 0.000 1.109 610 M CB -0.109 31.879 32.600 -1.020 0.000 1.396 610 M HN 0.377 nan 8.290 nan 0.000 0.430 611 G N 0.397 108.971 108.800 -0.378 0.000 2.246 611 G HA2 -0.250 3.708 3.960 -0.003 0.000 0.273 611 G HA3 -0.250 3.708 3.960 -0.003 0.000 0.273 611 G C -0.651 174.200 174.900 -0.082 0.000 1.055 611 G CA -0.343 44.642 45.100 -0.193 0.000 0.851 611 G HN 0.376 nan 8.290 nan 0.000 0.500 612 Y N 1.047 121.309 120.300 -0.063 0.000 2.336 612 Y HA 0.287 4.835 4.550 -0.004 0.000 0.335 612 Y C 1.721 177.590 175.900 -0.051 0.000 1.046 612 Y CA -1.409 56.662 58.100 -0.048 0.000 1.198 612 Y CB 0.932 39.360 38.460 -0.053 0.000 1.182 612 Y HN 0.327 nan 8.280 nan 0.000 0.502 613 D N 0.462 120.942 120.400 0.133 0.000 2.218 613 D HA -0.190 4.448 4.640 -0.003 0.000 0.204 613 D C 0.539 176.849 176.300 0.018 0.000 0.976 613 D CA 1.363 55.391 54.000 0.048 0.000 0.853 613 D CB -0.248 40.578 40.800 0.042 0.000 0.939 613 D HN 0.626 nan 8.370 nan 0.000 0.481 614 D N -0.838 119.593 120.400 0.053 0.000 2.342 614 D HA 0.064 4.702 4.640 -0.003 0.000 0.221 614 D C -0.224 176.098 176.300 0.036 0.000 1.101 614 D CA -0.675 53.350 54.000 0.042 0.000 0.837 614 D CB -0.649 40.231 40.800 0.135 0.000 0.938 614 D HN 0.180 nan 8.370 nan 0.000 0.508 615 C N 1.406 120.735 119.300 0.049 0.000 3.384 615 C HA 0.411 4.869 4.460 -0.003 0.000 0.294 615 C C -2.680 172.321 174.990 0.018 0.000 1.062 615 C CA -1.488 57.566 59.018 0.059 0.000 1.325 615 C CB -0.514 27.295 27.740 0.116 0.000 1.793 615 C HN 0.051 nan 8.230 nan 0.000 0.563 616 P HA 0.213 nan 4.420 nan 0.000 0.272 616 P C 0.448 177.633 177.300 -0.192 0.000 1.254 616 P CA 0.222 63.193 63.100 -0.215 0.000 0.795 616 P CB 0.701 32.151 31.700 -0.416 0.000 1.022 617 A N -0.243 122.376 122.820 -0.335 0.000 2.238 617 A HA 0.085 4.403 4.320 -0.003 0.000 0.208 617 A C 0.332 177.674 177.584 -0.403 0.000 1.177 617 A CA 0.893 52.699 52.037 -0.385 0.000 0.804 617 A CB -1.293 17.259 19.000 -0.747 0.000 0.823 617 A HN 0.805 nan 8.150 nan 0.000 0.482 618 H N -4.697 114.091 119.070 -0.470 0.000 3.008 618 H HA 0.630 5.184 4.556 -0.004 0.000 0.354 618 H C -3.554 171.089 175.328 -1.143 0.000 1.252 618 H CA -2.899 52.681 56.048 -0.780 0.000 1.117 618 H CB -0.054 29.585 29.762 -0.206 0.000 1.857 618 H HN -0.188 nan 8.280 nan 0.000 0.547 619 P HA 0.136 nan 4.420 nan 0.000 0.262 619 P C -0.672 176.511 177.300 -0.196 0.000 1.182 619 P CA 0.391 63.039 63.100 -0.754 0.000 0.761 619 P CB 0.478 31.780 31.700 -0.664 0.000 0.795 620 T N 3.335 117.777 114.554 -0.187 0.000 2.933 620 T HA 0.239 4.587 4.350 -0.003 0.000 0.305 620 T C -1.392 173.376 174.700 0.114 0.000 1.092 620 T CA -0.540 61.485 62.100 -0.125 0.000 1.008 620 T CB 1.085 69.714 68.868 -0.399 0.000 1.102 620 T HN 0.407 nan 8.240 nan 0.000 0.469 621 W N 6.056 127.479 121.300 0.204 0.000 2.345 621 W HA 0.597 5.255 4.660 -0.003 0.000 0.308 621 W C -1.588 174.982 176.519 0.086 0.000 1.273 621 W CA -0.536 56.931 57.345 0.203 0.000 1.243 621 W CB 0.262 29.970 29.460 0.412 0.000 1.260 621 W HN 0.573 nan 8.180 nan 0.000 0.509 622 M N 4.582 123.639 119.600 -0.905 0.000 2.518 622 M HA 0.182 4.660 4.480 -0.003 0.000 0.300 622 M C -0.054 175.621 176.300 -1.042 0.000 1.175 622 M CA -0.859 53.926 55.300 -0.858 0.000 0.890 622 M CB 2.425 34.498 32.600 -0.878 0.000 1.710 622 M HN 0.233 nan 8.290 nan 0.000 0.453 623 E N 3.621 123.495 120.200 -0.544 0.000 2.344 623 E HA 0.247 4.595 4.350 -0.003 0.000 0.270 623 E C -2.275 174.293 176.600 -0.054 0.000 1.021 623 E CA -1.162 55.073 56.400 -0.274 0.000 0.887 623 E CB 0.371 30.059 29.700 -0.019 0.000 0.997 623 E HN 0.310 nan 8.360 nan 0.000 0.429 624 P HA 0.045 nan 4.420 nan 0.000 0.278 624 P C 0.978 178.437 177.300 0.265 0.000 1.266 624 P CA -0.558 62.660 63.100 0.197 0.000 0.807 624 P CB 0.895 32.686 31.700 0.152 0.000 1.094 625 L N -0.273 121.158 121.223 0.348 0.000 2.021 625 L HA -0.144 4.194 4.340 -0.003 0.000 0.215 625 L C 0.798 177.720 176.870 0.085 0.000 1.074 625 L CA 2.042 56.934 54.840 0.085 0.000 0.760 625 L CB -0.764 41.211 42.059 -0.139 0.000 0.889 625 L HN 0.655 nan 8.230 nan 0.000 0.433 626 E N -1.003 119.259 120.200 0.103 0.000 2.335 626 E HA 0.524 4.872 4.350 -0.003 0.000 0.280 626 E C -1.051 175.638 176.600 0.149 0.000 0.918 626 E CA -0.972 55.495 56.400 0.111 0.000 0.765 626 E CB 1.475 31.232 29.700 0.095 0.000 1.218 626 E HN 0.412 nan 8.360 nan 0.000 0.425 627 R N 1.366 121.961 120.500 0.158 0.000 2.707 627 R HA 0.480 4.818 4.340 -0.003 0.000 0.272 627 R C -1.213 175.185 176.300 0.162 0.000 1.011 627 R CA -1.192 55.022 56.100 0.191 0.000 0.893 627 R CB 0.953 31.373 30.300 0.201 0.000 1.233 627 R HN 0.463 nan 8.270 nan 0.000 0.464 628 L N 3.063 124.388 121.223 0.169 0.000 2.584 628 L HA 0.087 4.425 4.340 -0.003 0.000 0.272 628 L C -0.405 176.513 176.870 0.079 0.000 1.195 628 L CA 1.251 56.164 54.840 0.123 0.000 0.920 628 L CB -0.549 41.570 42.059 0.101 0.000 1.173 628 L HN 0.823 nan 8.230 nan 0.000 0.489 629 D N 2.429 122.867 120.400 0.062 0.000 2.945 629 D HA -0.164 4.474 4.640 -0.003 0.000 0.225 629 D C 0.510 176.841 176.300 0.051 0.000 1.158 629 D CA 1.176 55.199 54.000 0.039 0.000 0.805 629 D CB -1.446 39.361 40.800 0.011 0.000 1.098 629 D HN 0.879 nan 8.370 nan 0.000 0.426 630 G N 0.366 109.212 108.800 0.078 0.000 2.572 630 G HA2 0.485 4.443 3.960 -0.003 0.000 0.261 630 G HA3 0.485 4.443 3.960 -0.003 0.000 0.261 630 G C -2.253 172.690 174.900 0.070 0.000 1.197 630 G CA -0.891 44.267 45.100 0.096 0.000 0.870 630 G HN -0.069 nan 8.290 nan 0.000 0.548 631 P HA 0.164 nan 4.420 nan 0.000 0.266 631 P C 0.882 178.211 177.300 0.048 0.000 1.215 631 P CA 1.062 64.196 63.100 0.057 0.000 0.763 631 P CB 0.823 32.563 31.700 0.068 0.000 0.806 632 G N 2.453 111.271 108.800 0.031 0.000 2.168 632 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.257 632 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.257 632 G C 0.471 175.378 174.900 0.012 0.000 0.997 632 G CA 0.075 45.186 45.100 0.017 0.000 0.708 632 G HN 0.895 nan 8.290 nan 0.000 0.520 633 A N -0.332 122.502 122.820 0.024 0.000 2.511 633 A HA 0.570 4.888 4.320 -0.003 0.000 0.242 633 A C 1.343 178.912 177.584 -0.024 0.000 1.069 633 A CA 1.357 53.410 52.037 0.028 0.000 0.763 633 A CB 0.395 19.428 19.000 0.055 0.000 1.001 633 A HN 0.583 nan 8.150 nan 0.000 0.498 634 K N 1.348 121.708 120.400 -0.066 0.000 2.137 634 K HA 0.015 4.333 4.320 -0.003 0.000 0.202 634 K C -0.657 175.692 176.600 -0.418 0.000 1.052 634 K CA 0.810 56.936 56.287 -0.268 0.000 0.961 634 K CB -0.050 32.220 32.500 -0.383 0.000 0.741 634 K HN 0.721 nan 8.250 nan 0.000 0.452 635 Y N 0.215 120.513 120.300 -0.003 0.000 2.420 635 Y HA 0.239 4.787 4.550 -0.003 0.000 0.334 635 Y C -1.678 174.217 175.900 -0.008 0.000 1.094 635 Y CA -2.519 55.567 58.100 -0.023 0.000 1.126 635 Y CB 1.492 39.920 38.460 -0.052 0.000 1.217 635 Y HN 0.023 nan 8.280 nan 0.000 0.462 636 P HA 0.103 nan 4.420 nan 0.000 0.234 636 P C -0.502 176.847 177.300 0.081 0.000 1.175 636 P CA 0.857 64.006 63.100 0.082 0.000 0.801 636 P CB 1.173 32.908 31.700 0.058 0.000 0.891 637 L N -0.304 120.968 121.223 0.082 0.000 2.346 637 L HA 0.453 4.791 4.340 -0.003 0.000 0.276 637 L C 0.100 177.024 176.870 0.090 0.000 1.006 637 L CA -1.186 53.699 54.840 0.076 0.000 0.817 637 L CB 1.769 43.853 42.059 0.042 0.000 1.272 637 L HN -0.093 nan 8.230 nan 0.000 0.421 638 H N 2.880 121.973 119.070 0.038 0.000 2.580 638 H HA 0.461 5.015 4.556 -0.004 0.000 0.322 638 H C -0.711 174.640 175.328 0.039 0.000 1.082 638 H CA -0.191 55.884 56.048 0.046 0.000 1.383 638 H CB 0.907 30.706 29.762 0.061 0.000 1.450 638 H HN 0.413 nan 8.280 nan 0.000 0.505 639 I N 4.806 125.126 120.570 -0.417 0.000 2.297 639 I HA 0.231 4.399 4.170 -0.003 0.000 0.291 639 I C 0.142 176.203 176.117 -0.092 0.000 1.033 639 I CA -0.782 60.417 61.300 -0.169 0.000 1.253 639 I CB 1.270 39.180 38.000 -0.150 0.000 1.396 639 I HN 0.739 nan 8.210 nan 0.000 0.476 640 A N 6.082 128.998 122.820 0.161 0.000 2.785 640 A HA 0.437 4.755 4.320 -0.003 0.000 0.294 640 A C 0.917 178.607 177.584 0.178 0.000 1.597 640 A CA -0.258 51.926 52.037 0.245 0.000 1.283 640 A CB -0.409 18.729 19.000 0.230 0.000 1.088 640 A HN 0.833 nan 8.150 nan 0.000 0.568 641 A N 3.151 126.072 122.820 0.168 0.000 3.118 641 A HA 0.494 4.812 4.320 -0.003 0.000 0.256 641 A C 1.055 178.808 177.584 0.282 0.000 1.667 641 A CA 0.245 52.388 52.037 0.177 0.000 1.338 641 A CB -0.932 18.131 19.000 0.105 0.000 1.127 641 A HN 1.119 nan 8.150 nan 0.000 0.634 642 S N 0.109 116.036 115.700 0.378 0.000 2.690 642 S HA 0.431 4.899 4.470 -0.003 0.000 0.285 642 S C 0.065 174.975 174.600 0.516 0.000 1.135 642 S CA -0.632 57.856 58.200 0.479 0.000 1.020 642 S CB 0.208 63.664 63.200 0.427 0.000 1.159 642 S HN 0.606 nan 8.310 nan 0.000 0.534 643 H N 2.094 121.271 119.070 0.178 0.000 2.683 643 H HA 0.295 4.849 4.556 -0.004 0.000 0.339 643 H C -2.156 172.912 175.328 -0.433 0.000 1.081 643 H CA -1.497 54.541 56.048 -0.016 0.000 1.432 643 H CB 0.704 30.468 29.762 0.003 0.000 1.462 643 H HN 0.501 nan 8.280 nan 0.000 0.557 644 P HA -0.082 nan 4.420 nan 0.000 0.271 644 P C 0.273 177.208 177.300 -0.607 0.000 1.216 644 P CA 0.121 62.649 63.100 -0.954 0.000 0.776 644 P CB 0.766 32.241 31.700 -0.375 0.000 0.881 645 F N 3.051 122.580 119.950 -0.702 0.000 2.163 645 F HA -0.032 4.493 4.527 -0.003 0.000 0.297 645 F C 1.550 177.288 175.800 -0.105 0.000 1.094 645 F CA 1.469 59.331 58.000 -0.229 0.000 1.290 645 F CB 0.094 39.068 39.000 -0.042 0.000 1.017 645 F HN 0.253 nan 8.300 nan 0.000 0.483 646 N N 0.507 119.270 118.700 0.105 0.000 2.321 646 N HA 0.180 4.918 4.740 -0.003 0.000 0.242 646 N C -0.515 175.053 175.510 0.097 0.000 1.141 646 N CA 0.137 53.269 53.050 0.137 0.000 0.864 646 N CB 0.513 39.116 38.487 0.192 0.000 1.100 646 N HN 0.247 nan 8.380 nan 0.000 0.510 647 R N -0.035 120.488 120.500 0.039 0.000 2.817 647 R HA 0.414 4.752 4.340 -0.003 0.000 0.268 647 R C -1.237 175.120 176.300 0.095 0.000 1.027 647 R CA -0.917 55.258 56.100 0.125 0.000 0.928 647 R CB 1.632 31.984 30.300 0.088 0.000 1.228 647 R HN -0.083 nan 8.270 nan 0.000 0.469 648 L N 2.791 124.117 121.223 0.171 0.000 2.297 648 L HA 0.311 4.649 4.340 -0.003 0.000 0.277 648 L C 0.120 176.891 176.870 -0.165 0.000 1.040 648 L CA 0.343 55.086 54.840 -0.161 0.000 0.867 648 L CB -0.502 41.435 42.059 -0.204 0.000 1.244 648 L HN 0.654 nan 8.230 nan 0.000 0.433 649 H N 1.630 120.652 119.070 -0.080 0.000 1.452 649 H HA -0.298 4.255 4.556 -0.004 0.000 0.090 649 H C 1.458 176.861 175.328 0.125 0.000 0.836 649 H CA 1.780 57.803 56.048 -0.041 0.000 1.901 649 H CB -1.631 28.107 29.762 -0.040 0.000 2.257 649 H HN 0.684 nan 8.280 nan 0.000 0.961 650 S N 2.670 118.611 115.700 0.401 0.000 2.528 650 S HA 0.041 4.509 4.470 -0.003 0.000 0.219 650 S C 0.647 175.574 174.600 0.545 0.000 0.985 650 S CA 0.363 58.869 58.200 0.511 0.000 0.914 650 S CB 0.130 63.678 63.200 0.581 0.000 0.776 650 S HN 0.420 nan 8.310 nan 0.000 0.526 651 Q N 1.050 121.119 119.800 0.447 0.000 2.330 651 Q HA 0.341 4.678 4.340 -0.003 0.000 0.279 651 Q C 0.286 176.513 176.000 0.379 0.000 1.024 651 Q CA 0.564 56.652 55.803 0.476 0.000 0.900 651 Q CB 0.360 29.445 28.738 0.579 0.000 1.221 651 Q HN 0.512 nan 8.270 nan 0.000 0.396 652 L N 0.293 121.695 121.223 0.298 0.000 4.885 652 L HA -0.307 4.031 4.340 -0.003 0.000 0.404 652 L C 1.171 178.025 176.870 -0.026 0.000 0.970 652 L CA 0.134 55.045 54.840 0.119 0.000 1.426 652 L CB -1.453 40.648 42.059 0.070 0.000 1.934 652 L HN 0.622 nan 8.230 nan 0.000 0.613 653 N N 1.676 120.282 118.700 -0.157 0.000 2.244 653 N HA -0.029 4.708 4.740 -0.003 0.000 0.183 653 N C 1.385 176.415 175.510 -0.800 0.000 1.016 653 N CA 1.690 54.456 53.050 -0.475 0.000 0.866 653 N CB 0.048 38.013 38.487 -0.870 0.000 0.980 653 N HN 0.493 nan 8.380 nan 0.000 0.430 654 G N 0.076 108.405 108.800 -0.785 0.000 3.943 654 G HA2 0.293 4.251 3.960 -0.003 0.000 0.275 654 G HA3 0.293 4.251 3.960 -0.003 0.000 0.275 654 G C -0.234 174.549 174.900 -0.196 0.000 1.234 654 G CA 0.093 44.905 45.100 -0.481 0.000 1.522 654 G HN 0.383 nan 8.290 nan 0.000 0.636 655 T N -3.753 110.643 114.554 -0.263 0.000 2.778 655 T HA 0.378 4.726 4.350 -0.003 0.000 0.293 655 T C 1.414 175.979 174.700 -0.225 0.000 1.144 655 T CA 0.138 62.138 62.100 -0.166 0.000 1.010 655 T CB 1.278 70.075 68.868 -0.118 0.000 1.325 655 T HN 0.423 nan 8.240 nan 0.000 0.515 656 V N -0.001 119.809 119.914 -0.172 0.000 2.594 656 V HA 0.001 4.119 4.120 -0.003 0.000 0.253 656 V C 2.359 178.333 176.094 -0.200 0.000 1.069 656 V CA 1.308 63.501 62.300 -0.178 0.000 1.082 656 V CB -1.587 30.153 31.823 -0.138 0.000 0.680 656 V HN 0.772 nan 8.190 nan 0.000 0.469 657 L N -0.041 121.077 121.223 -0.174 0.000 2.265 657 L HA -0.114 4.224 4.340 -0.003 0.000 0.215 657 L C 2.913 179.584 176.870 -0.332 0.000 1.117 657 L CA 1.940 56.699 54.840 -0.136 0.000 0.782 657 L CB -0.725 41.336 42.059 0.004 0.000 0.914 657 L HN 0.328 nan 8.230 nan 0.000 0.441 658 R N 0.689 120.884 120.500 -0.509 0.000 2.152 658 R HA -0.235 4.103 4.340 -0.003 0.000 0.232 658 R C 2.125 177.933 176.300 -0.819 0.000 1.117 658 R CA 1.472 56.978 56.100 -0.990 0.000 0.981 658 R CB 0.005 29.841 30.300 -0.774 0.000 0.870 658 R HN 0.251 nan 8.270 nan 0.000 0.451 659 E N -0.365 119.556 120.200 -0.466 0.000 2.160 659 E HA -0.117 4.230 4.350 -0.003 0.000 0.195 659 E C 1.587 178.037 176.600 -0.249 0.000 0.991 659 E CA 1.667 57.886 56.400 -0.302 0.000 0.810 659 E CB -0.406 29.173 29.700 -0.202 0.000 0.742 659 E HN 0.484 nan 8.360 nan 0.000 0.466 660 G N -1.194 107.461 108.800 -0.241 0.000 2.650 660 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.214 660 G HA3 -0.166 3.792 3.960 -0.003 0.000 0.214 660 G C 0.951 175.854 174.900 0.006 0.000 1.136 660 G CA 0.972 46.020 45.100 -0.087 0.000 0.789 660 G HN 0.510 nan 8.290 nan 0.000 0.536 661 Y N -2.078 118.224 120.300 0.003 0.000 2.425 661 Y HA 0.708 5.256 4.550 -0.004 0.000 0.261 661 Y C 1.150 177.072 175.900 0.038 0.000 1.084 661 Y CA -1.056 57.063 58.100 0.032 0.000 1.248 661 Y CB -0.411 38.094 38.460 0.074 0.000 1.270 661 Y HN 0.144 nan 8.280 nan 0.000 0.524 662 A N 1.568 124.327 122.820 -0.100 0.000 2.425 662 A HA 0.541 4.859 4.320 -0.003 0.000 0.242 662 A C -0.440 177.176 177.584 0.053 0.000 1.077 662 A CA -0.099 51.960 52.037 0.037 0.000 0.781 662 A CB 0.289 19.255 19.000 -0.058 0.000 1.020 662 A HN 0.218 nan 8.150 nan 0.000 0.494 663 V N 3.310 123.280 119.914 0.092 0.000 2.349 663 V HA 0.287 4.405 4.120 -0.003 0.000 0.284 663 V C 0.059 176.232 176.094 0.132 0.000 1.014 663 V CA -0.285 62.068 62.300 0.089 0.000 0.826 663 V CB 0.544 32.419 31.823 0.087 0.000 1.009 663 V HN 1.051 nan 8.190 nan 0.000 0.431 664 Q N 3.433 123.287 119.800 0.091 0.000 2.481 664 Q HA -0.289 4.049 4.340 -0.003 0.000 0.272 664 Q C 1.294 177.292 176.000 -0.004 0.000 1.157 664 Q CA 0.913 56.776 55.803 0.099 0.000 0.935 664 Q CB -1.419 27.435 28.738 0.194 0.000 1.338 664 Q HN 1.596 nan 8.270 nan 0.000 0.494 665 G N -1.097 107.673 108.800 -0.050 0.000 2.225 665 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.254 665 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.254 665 G C 0.090 174.924 174.900 -0.110 0.000 0.988 665 G CA 0.550 45.576 45.100 -0.124 0.000 0.625 665 G HN 0.576 nan 8.290 nan 0.000 0.527 666 H N 0.452 119.571 119.070 0.081 0.000 2.559 666 H HA 0.571 5.125 4.556 -0.004 0.000 0.343 666 H C 0.343 175.535 175.328 -0.225 0.000 1.209 666 H CA -0.317 55.660 56.048 -0.117 0.000 1.287 666 H CB 1.337 31.010 29.762 -0.149 0.000 1.650 666 H HN 0.281 nan 8.280 nan 0.000 0.567 667 E N 2.462 122.329 120.200 -0.554 0.000 2.413 667 E HA 0.083 4.431 4.350 -0.003 0.000 0.263 667 E C -2.350 174.248 176.600 -0.003 0.000 1.015 667 E CA -1.368 54.928 56.400 -0.174 0.000 0.916 667 E CB 0.282 29.814 29.700 -0.280 0.000 0.947 667 E HN 0.241 nan 8.360 nan 0.000 0.440 668 P HA 0.083 nan 4.420 nan 0.000 0.278 668 P C -0.831 176.461 177.300 -0.015 0.000 1.238 668 P CA -0.498 62.634 63.100 0.053 0.000 0.794 668 P CB 0.933 32.687 31.700 0.090 0.000 0.955 669 C N 5.267 124.553 119.300 -0.023 0.000 2.322 669 C HA 0.485 4.943 4.460 -0.003 0.000 0.324 669 C C -0.186 174.782 174.990 -0.036 0.000 1.249 669 C CA -0.779 58.214 59.018 -0.042 0.000 1.453 669 C CB -1.127 26.595 27.740 -0.030 0.000 2.145 669 C HN 0.428 nan 8.230 nan 0.000 0.466 670 L N 6.742 127.932 121.223 -0.056 0.000 2.331 670 L HA 0.502 4.840 4.340 -0.003 0.000 0.278 670 L C 0.159 177.030 176.870 0.003 0.000 1.106 670 L CA 0.250 55.071 54.840 -0.032 0.000 0.824 670 L CB 1.082 43.113 42.059 -0.047 0.000 1.142 670 L HN 0.706 nan 8.230 nan 0.000 0.443 671 M N 3.294 122.905 119.600 0.019 0.000 2.386 671 M HA 0.329 4.807 4.480 -0.003 0.000 0.293 671 M C -0.648 175.695 176.300 0.073 0.000 1.120 671 M CA -0.647 54.685 55.300 0.053 0.000 0.909 671 M CB 2.181 34.806 32.600 0.042 0.000 1.661 671 M HN 0.555 nan 8.290 nan 0.000 0.452 672 H N 5.317 124.398 119.070 0.018 0.000 2.815 672 H HA 0.164 4.718 4.556 -0.004 0.000 0.350 672 H C -2.022 173.316 175.328 0.017 0.000 1.080 672 H CA -0.286 55.774 56.048 0.020 0.000 1.433 672 H CB 1.264 31.039 29.762 0.022 0.000 1.432 672 H HN 0.484 nan 8.280 nan 0.000 0.592 673 P HA -0.171 nan 4.420 nan 0.000 0.217 673 P C 0.801 178.179 177.300 0.130 0.000 1.151 673 P CA 1.405 64.475 63.100 -0.050 0.000 0.849 673 P CB 0.374 31.979 31.700 -0.159 0.000 0.787 674 D N -1.097 119.531 120.400 0.380 0.000 2.183 674 D HA -0.107 4.531 4.640 -0.003 0.000 0.203 674 D C 1.554 177.937 176.300 0.138 0.000 0.969 674 D CA 0.933 55.067 54.000 0.223 0.000 0.842 674 D CB -0.649 40.261 40.800 0.183 0.000 0.957 674 D HN 0.179 nan 8.370 nan 0.000 0.484 675 D N 0.356 120.851 120.400 0.159 0.000 2.149 675 D HA -0.012 4.626 4.640 -0.003 0.000 0.201 675 D C 2.013 178.358 176.300 0.076 0.000 0.972 675 D CA 0.837 54.890 54.000 0.088 0.000 0.835 675 D CB -0.046 40.804 40.800 0.084 0.000 0.966 675 D HN 0.106 nan 8.370 nan 0.000 0.476 676 A N 1.417 124.286 122.820 0.082 0.000 1.858 676 A HA -0.048 4.270 4.320 -0.003 0.000 0.216 676 A C 2.353 179.966 177.584 0.048 0.000 1.190 676 A CA 2.204 54.274 52.037 0.055 0.000 0.617 676 A CB -0.802 18.224 19.000 0.042 0.000 0.827 676 A HN 0.220 nan 8.150 nan 0.000 0.443 677 A N -0.166 122.684 122.820 0.051 0.000 1.940 677 A HA 0.123 4.440 4.320 -0.003 0.000 0.219 677 A C 2.429 180.036 177.584 0.038 0.000 1.176 677 A CA 2.119 54.180 52.037 0.040 0.000 0.631 677 A CB -0.963 18.062 19.000 0.041 0.000 0.814 677 A HN 1.149 nan 8.150 nan 0.000 0.446 678 A N -0.794 122.052 122.820 0.042 0.000 2.067 678 A HA -0.075 4.243 4.320 -0.003 0.000 0.219 678 A C 2.108 179.713 177.584 0.035 0.000 1.158 678 A CA 1.371 53.429 52.037 0.035 0.000 0.661 678 A CB -0.290 18.731 19.000 0.034 0.000 0.801 678 A HN 0.543 nan 8.150 nan 0.000 0.452 679 R N -1.804 118.719 120.500 0.039 0.000 2.397 679 R HA 0.263 4.601 4.340 -0.003 0.000 0.241 679 R C 0.985 177.306 176.300 0.035 0.000 0.914 679 R CA 0.477 56.602 56.100 0.041 0.000 1.071 679 R CB 0.262 30.591 30.300 0.048 0.000 1.116 679 R HN 0.586 nan 8.270 nan 0.000 0.524 680 G N 1.911 110.730 108.800 0.031 0.000 2.198 680 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.257 680 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.257 680 G C -0.028 174.888 174.900 0.027 0.000 1.042 680 G CA -0.060 45.056 45.100 0.026 0.000 0.791 680 G HN 0.227 nan 8.290 nan 0.000 0.502 681 I N 0.675 121.263 120.570 0.030 0.000 2.359 681 I HA 0.647 4.815 4.170 -0.003 0.000 0.294 681 I C 0.665 176.797 176.117 0.025 0.000 0.987 681 I CA -0.479 60.839 61.300 0.030 0.000 1.225 681 I CB 1.792 39.813 38.000 0.035 0.000 1.366 681 I HN 0.313 nan 8.210 nan 0.000 0.466 682 A N 4.042 126.875 122.820 0.023 0.000 2.330 682 A HA 0.395 4.713 4.320 -0.003 0.000 0.329 682 A C -0.681 176.914 177.584 0.018 0.000 1.135 682 A CA -0.629 51.419 52.037 0.018 0.000 0.817 682 A CB 0.908 19.918 19.000 0.017 0.000 1.269 682 A HN 0.734 nan 8.150 nan 0.000 0.469 683 D N 0.224 120.632 120.400 0.013 0.000 2.586 683 D HA 0.344 4.982 4.640 -0.003 0.000 0.234 683 D C 1.362 177.674 176.300 0.019 0.000 1.132 683 D CA 2.463 56.471 54.000 0.013 0.000 0.860 683 D CB 0.140 40.943 40.800 0.006 0.000 1.159 683 D HN 1.315 nan 8.370 nan 0.000 0.490 684 G N 3.009 111.824 108.800 0.025 0.000 2.194 684 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.236 684 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.236 684 G C 0.110 175.036 174.900 0.043 0.000 0.987 684 G CA 0.028 45.148 45.100 0.034 0.000 0.635 684 G HN 0.611 nan 8.290 nan 0.000 0.520 685 D N 0.240 120.662 120.400 0.037 0.000 2.362 685 D HA 0.454 5.092 4.640 -0.003 0.000 0.242 685 D C 0.772 177.096 176.300 0.039 0.000 1.132 685 D CA -0.090 53.936 54.000 0.043 0.000 0.907 685 D CB 1.609 42.432 40.800 0.039 0.000 1.195 685 D HN 0.135 nan 8.370 nan 0.000 0.429 686 V N 2.009 121.952 119.914 0.048 0.000 2.498 686 V HA 0.290 4.408 4.120 -0.003 0.000 0.279 686 V C 0.406 176.512 176.094 0.020 0.000 1.048 686 V CA -0.392 61.901 62.300 -0.013 0.000 0.967 686 V CB 1.177 32.996 31.823 -0.006 0.000 0.988 686 V HN 0.369 nan 8.190 nan 0.000 0.473 687 V N 3.135 123.026 119.914 -0.038 0.000 2.960 687 V HA 0.695 4.813 4.120 -0.003 0.000 0.315 687 V C -0.367 175.718 176.094 -0.015 0.000 1.087 687 V CA -1.243 61.072 62.300 0.025 0.000 0.982 687 V CB 1.921 33.757 31.823 0.022 0.000 1.039 687 V HN 0.816 nan 8.190 nan 0.000 0.437 688 R N 1.911 122.456 120.500 0.074 0.000 2.229 688 R HA 0.711 5.049 4.340 -0.003 0.000 0.332 688 R C -1.456 174.921 176.300 0.128 0.000 0.989 688 R CA -0.422 55.716 56.100 0.063 0.000 0.842 688 R CB 1.549 31.931 30.300 0.136 0.000 1.119 688 R HN 0.777 nan 8.270 nan 0.000 0.456 689 V N 5.699 125.652 119.914 0.065 0.000 2.370 689 V HA 0.365 4.483 4.120 -0.003 0.000 0.279 689 V C -0.541 175.587 176.094 0.056 0.000 1.029 689 V CA -0.594 61.725 62.300 0.031 0.000 0.870 689 V CB 0.968 32.773 31.823 -0.031 0.000 0.984 689 V HN 0.986 nan 8.190 nan 0.000 0.451 690 H N 2.736 121.743 119.070 -0.104 0.000 3.017 690 H HA 0.872 5.426 4.556 -0.004 0.000 0.346 690 H C -0.715 174.401 175.328 -0.353 0.000 1.286 690 H CA -0.886 55.072 56.048 -0.149 0.000 1.120 690 H CB 1.825 31.549 29.762 -0.063 0.000 1.860 690 H HN 0.581 nan 8.280 nan 0.000 0.542 691 N N -0.531 117.958 118.700 -0.351 0.000 3.522 691 N HA 0.129 4.867 4.740 -0.003 0.000 0.328 691 N C -0.516 174.880 175.510 -0.190 0.000 1.623 691 N CA -0.584 51.980 53.050 -0.810 0.000 0.812 691 N CB 0.002 37.945 38.487 -0.906 0.000 2.008 691 N HN 0.576 nan 8.380 nan 0.000 0.601 692 D N -0.511 119.886 120.400 -0.006 0.000 2.312 692 D HA 0.043 4.681 4.640 -0.003 0.000 0.211 692 D C 1.076 177.398 176.300 0.037 0.000 0.964 692 D CA 0.699 54.765 54.000 0.111 0.000 0.877 692 D CB 0.252 41.148 40.800 0.160 0.000 0.924 692 D HN 0.426 nan 8.370 nan 0.000 0.515 693 R N -0.062 120.428 120.500 -0.016 0.000 2.189 693 R HA 0.300 4.638 4.340 -0.003 0.000 0.203 693 R C 1.238 177.528 176.300 -0.018 0.000 1.012 693 R CA 0.500 56.587 56.100 -0.022 0.000 1.015 693 R CB 0.748 31.018 30.300 -0.050 0.000 0.938 693 R HN 0.058 nan 8.270 nan 0.000 0.472 694 G N 0.040 108.828 108.800 -0.019 0.000 2.489 694 G HA2 0.301 4.259 3.960 -0.003 0.000 0.305 694 G HA3 0.301 4.259 3.960 -0.003 0.000 0.305 694 G C -1.983 172.933 174.900 0.027 0.000 1.311 694 G CA -0.806 44.298 45.100 0.007 0.000 0.813 694 G HN 0.108 nan 8.290 nan 0.000 0.480 695 Q N -1.135 118.692 119.800 0.045 0.000 2.320 695 Q HA 0.695 5.033 4.340 -0.003 0.000 0.272 695 Q C -1.003 175.023 176.000 0.043 0.000 1.023 695 Q CA -1.031 54.807 55.803 0.059 0.000 0.855 695 Q CB 2.455 31.224 28.738 0.052 0.000 1.367 695 Q HN 1.208 nan 8.270 nan 0.000 0.406 696 I N -1.232 119.351 120.570 0.021 0.000 3.074 696 I HA 0.651 4.819 4.170 -0.003 0.000 0.310 696 I C -1.520 174.549 176.117 -0.079 0.000 1.153 696 I CA -1.665 59.635 61.300 -0.000 0.000 0.993 696 I CB 2.030 40.046 38.000 0.027 0.000 1.237 696 I HN 0.628 nan 8.210 nan 0.000 0.443 697 L N 2.775 123.911 121.223 -0.146 0.000 2.309 697 L HA 0.694 5.032 4.340 -0.003 0.000 0.282 697 L C 0.033 176.742 176.870 -0.268 0.000 1.036 697 L CA -0.325 54.337 54.840 -0.298 0.000 0.806 697 L CB 1.852 43.597 42.059 -0.522 0.000 1.220 697 L HN 0.888 nan 8.230 nan 0.000 0.429 698 T N -1.053 113.338 114.554 -0.271 0.000 2.838 698 T HA 0.724 5.072 4.350 -0.003 0.000 0.292 698 T C -0.309 174.293 174.700 -0.164 0.000 1.113 698 T CA -0.792 61.202 62.100 -0.176 0.000 1.008 698 T CB 1.936 70.749 68.868 -0.092 0.000 1.259 698 T HN 0.641 nan 8.240 nan 0.000 0.520 699 G N 0.197 108.974 108.800 -0.038 0.000 2.478 699 G HA2 0.581 4.539 3.960 -0.003 0.000 0.317 699 G HA3 0.581 4.539 3.960 -0.003 0.000 0.317 699 G C -0.856 174.053 174.900 0.016 0.000 1.259 699 G CA -0.668 44.443 45.100 0.018 0.000 0.933 699 G HN 0.782 nan 8.290 nan 0.000 0.478 700 V N 2.083 122.006 119.914 0.014 0.000 2.607 700 V HA 0.388 4.506 4.120 -0.003 0.000 0.289 700 V C 0.150 176.254 176.094 0.017 0.000 1.053 700 V CA -0.382 61.925 62.300 0.012 0.000 0.996 700 V CB 1.491 33.322 31.823 0.014 0.000 0.995 700 V HN 0.654 nan 8.190 nan 0.000 0.476 701 K N 3.298 123.704 120.400 0.010 0.000 2.450 701 K HA 0.542 4.860 4.320 -0.003 0.000 0.257 701 K C -1.264 175.335 176.600 -0.002 0.000 0.953 701 K CA -0.597 55.694 56.287 0.007 0.000 0.844 701 K CB 2.117 34.621 32.500 0.007 0.000 1.103 701 K HN 0.426 nan 8.250 nan 0.000 0.429 702 V N 3.371 123.282 119.914 -0.005 0.000 2.432 702 V HA 0.294 4.412 4.120 -0.003 0.000 0.271 702 V C -0.177 175.894 176.094 -0.037 0.000 1.046 702 V CA 0.072 62.362 62.300 -0.017 0.000 0.945 702 V CB 1.020 32.834 31.823 -0.016 0.000 0.992 702 V HN 0.844 nan 8.190 nan 0.000 0.471 703 T N 2.261 116.783 114.554 -0.055 0.000 2.932 703 T HA 0.258 4.606 4.350 -0.003 0.000 0.318 703 T C -0.076 174.552 174.700 -0.121 0.000 1.265 703 T CA -0.633 61.427 62.100 -0.067 0.000 1.036 703 T CB 1.743 70.594 68.868 -0.028 0.000 1.209 703 T HN 0.753 nan 8.240 nan 0.000 0.484 704 D N 0.449 120.763 120.400 -0.144 0.000 2.325 704 D HA 0.231 4.869 4.640 -0.003 0.000 0.225 704 D C 1.613 177.928 176.300 0.025 0.000 1.096 704 D CA -0.122 53.782 54.000 -0.161 0.000 0.844 704 D CB -0.228 40.452 40.800 -0.199 0.000 0.925 704 D HN 0.552 nan 8.370 nan 0.000 0.513 705 A N 0.392 123.233 122.820 0.034 0.000 1.969 705 A HA 0.082 4.400 4.320 -0.003 0.000 0.218 705 A C 1.281 178.941 177.584 0.127 0.000 1.169 705 A CA 1.047 53.132 52.037 0.080 0.000 0.635 705 A CB -0.585 18.445 19.000 0.050 0.000 0.810 705 A HN 0.338 nan 8.150 nan 0.000 0.445 706 V N -1.152 118.835 119.914 0.121 0.000 2.509 706 V HA 0.559 4.677 4.120 -0.003 0.000 0.284 706 V C 0.151 176.366 176.094 0.202 0.000 1.047 706 V CA -0.947 61.440 62.300 0.145 0.000 0.952 706 V CB 0.696 32.587 31.823 0.113 0.000 0.988 706 V HN 0.545 nan 8.190 nan 0.000 0.469 707 M N 1.613 121.299 119.600 0.144 0.000 2.245 707 M HA 0.436 4.914 4.480 -0.003 0.000 0.330 707 M C 0.173 176.478 176.300 0.009 0.000 1.098 707 M CA -0.352 54.999 55.300 0.086 0.000 1.172 707 M CB 0.126 32.731 32.600 0.009 0.000 1.467 707 M HN 0.745 nan 8.290 nan 0.000 0.454 708 K N 1.339 121.605 120.400 -0.223 0.000 2.484 708 K HA 0.222 4.540 4.320 -0.003 0.000 0.280 708 K C 0.917 177.443 176.600 -0.124 0.000 1.013 708 K CA 1.542 57.615 56.287 -0.357 0.000 1.029 708 K CB -0.066 32.118 32.500 -0.527 0.000 0.902 708 K HN 0.965 nan 8.250 nan 0.000 0.481 709 G N 1.673 110.441 108.800 -0.053 0.000 2.175 709 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.244 709 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.244 709 G C -0.460 174.476 174.900 0.060 0.000 0.982 709 G CA 0.012 45.115 45.100 0.004 0.000 0.641 709 G HN 0.552 nan 8.290 nan 0.000 0.527 710 V N 2.401 122.357 119.914 0.069 0.000 2.588 710 V HA 0.732 4.850 4.120 -0.003 0.000 0.304 710 V C 0.429 176.583 176.094 0.100 0.000 1.042 710 V CA -0.540 61.830 62.300 0.117 0.000 0.877 710 V CB 1.838 33.733 31.823 0.121 0.000 0.996 710 V HN 0.685 nan 8.190 nan 0.000 0.425 711 I N 1.460 122.082 120.570 0.088 0.000 2.603 711 I HA 0.696 4.864 4.170 -0.003 0.000 0.300 711 I C -0.594 175.544 176.117 0.035 0.000 1.017 711 I CA -0.715 60.615 61.300 0.049 0.000 1.098 711 I CB 1.968 39.981 38.000 0.022 0.000 1.279 711 I HN 0.669 nan 8.210 nan 0.000 0.437 712 Q N 5.399 125.192 119.800 -0.012 0.000 2.347 712 Q HA 0.601 4.939 4.340 -0.003 0.000 0.262 712 Q C -1.636 174.276 176.000 -0.148 0.000 0.980 712 Q CA -0.607 55.151 55.803 -0.075 0.000 0.867 712 Q CB 1.584 30.234 28.738 -0.148 0.000 1.242 712 Q HN 0.782 nan 8.270 nan 0.000 0.453 713 I N 4.788 125.303 120.570 -0.093 0.000 2.466 713 I HA 0.227 4.395 4.170 -0.003 0.000 0.279 713 I C -0.971 175.171 176.117 0.042 0.000 1.033 713 I CA -0.827 60.435 61.300 -0.063 0.000 1.123 713 I CB 0.703 38.695 38.000 -0.014 0.000 1.237 713 I HN 0.563 nan 8.210 nan 0.000 0.460 714 Y N 3.811 124.157 120.300 0.077 0.000 2.550 714 Y HA 0.051 4.599 4.550 -0.003 0.000 0.343 714 Y C 1.069 177.026 175.900 0.095 0.000 1.245 714 Y CA -0.690 57.465 58.100 0.092 0.000 1.462 714 Y CB 0.323 38.827 38.460 0.072 0.000 1.340 714 Y HN 0.564 nan 8.280 nan 0.000 0.604 715 E N -0.075 120.287 120.200 0.270 0.000 2.409 715 E HA 0.454 4.802 4.350 -0.003 0.000 0.257 715 E C 1.032 177.742 176.600 0.183 0.000 1.150 715 E CA 0.162 56.664 56.400 0.171 0.000 0.942 715 E CB 0.351 30.107 29.700 0.093 0.000 0.979 715 E HN 0.754 nan 8.360 nan 0.000 0.447 716 G N 0.389 109.314 108.800 0.208 0.000 2.218 716 G HA2 -0.165 3.793 3.960 -0.003 0.000 0.216 716 G HA3 -0.165 3.793 3.960 -0.003 0.000 0.216 716 G C 0.501 175.644 174.900 0.405 0.000 0.994 716 G CA -0.319 44.948 45.100 0.278 0.000 0.637 716 G HN 0.947 nan 8.290 nan 0.000 0.505 717 G N -0.349 108.709 108.800 0.431 0.000 2.441 717 G HA2 0.362 4.320 3.960 -0.003 0.000 0.243 717 G HA3 0.362 4.320 3.960 -0.003 0.000 0.243 717 G C 0.059 175.365 174.900 0.677 0.000 1.281 717 G CA -0.257 45.231 45.100 0.646 0.000 0.854 717 G HN 0.261 nan 8.290 nan 0.000 0.560 718 W N 2.022 123.489 121.300 0.277 0.000 2.546 718 W HA 0.219 4.877 4.660 -0.003 0.000 0.323 718 W C 0.293 176.915 176.519 0.172 0.000 1.272 718 W CA -1.434 55.981 57.345 0.117 0.000 1.404 718 W CB -0.688 28.713 29.460 -0.098 0.000 1.411 718 W HN 0.462 nan 8.180 nan 0.000 0.480 719 Y N 4.040 124.500 120.300 0.266 0.000 2.916 719 Y HA -0.106 4.442 4.550 -0.004 0.000 0.344 719 Y C 0.268 176.241 175.900 0.121 0.000 1.282 719 Y CA 0.827 59.033 58.100 0.177 0.000 1.604 719 Y CB 0.132 38.655 38.460 0.104 0.000 1.207 719 Y HN 0.340 nan 8.280 nan 0.000 0.561 720 D N 9.229 129.521 120.400 -0.180 0.000 2.400 720 D HA 0.291 4.929 4.640 -0.003 0.000 0.272 720 D C -3.015 173.068 176.300 -0.361 0.000 1.220 720 D CA -2.200 51.641 54.000 -0.265 0.000 0.897 720 D CB 0.756 41.499 40.800 -0.094 0.000 1.134 720 D HN 0.250 nan 8.370 nan 0.000 0.507 721 P HA 0.050 nan 4.420 nan 0.000 0.268 721 P C 0.683 177.868 177.300 -0.192 0.000 1.204 721 P CA -0.123 62.725 63.100 -0.419 0.000 0.768 721 P CB 1.524 32.966 31.700 -0.430 0.000 0.842 722 S N 1.007 116.647 115.700 -0.101 0.000 2.356 722 S HA -0.112 4.356 4.470 -0.003 0.000 0.223 722 S C 0.761 175.326 174.600 -0.059 0.000 1.032 722 S CA 1.443 59.607 58.200 -0.060 0.000 1.005 722 S CB -0.325 62.861 63.200 -0.022 0.000 0.867 722 S HN 0.643 nan 8.310 nan 0.000 0.449 723 D N 0.322 120.695 120.400 -0.045 0.000 2.602 723 D HA 0.234 4.872 4.640 -0.003 0.000 0.245 723 D C 0.791 177.079 176.300 -0.020 0.000 1.325 723 D CA -0.365 53.613 54.000 -0.036 0.000 0.952 723 D CB 1.656 42.446 40.800 -0.017 0.000 1.317 723 D HN 0.031 nan 8.370 nan 0.000 0.577 724 V N 2.104 121.997 119.914 -0.036 0.000 2.720 724 V HA -0.128 3.990 4.120 -0.003 0.000 0.256 724 V C 1.744 177.857 176.094 0.031 0.000 1.082 724 V CA 2.273 64.579 62.300 0.009 0.000 1.101 724 V CB -1.435 30.373 31.823 -0.025 0.000 0.693 724 V HN 0.670 nan 8.190 nan 0.000 0.479 725 T N -1.773 112.786 114.554 0.008 0.000 3.100 725 T HA 0.073 4.421 4.350 -0.003 0.000 0.253 725 T C 0.741 175.457 174.700 0.026 0.000 1.118 725 T CA 0.525 62.636 62.100 0.019 0.000 1.058 725 T CB -0.331 68.540 68.868 0.004 0.000 0.953 725 T HN 0.763 nan 8.240 nan 0.000 0.515 726 E N 2.833 123.050 120.200 0.028 0.000 2.130 726 E HA 0.302 4.650 4.350 -0.003 0.000 0.284 726 E C -2.704 173.923 176.600 0.045 0.000 1.018 726 E CA -2.886 53.533 56.400 0.030 0.000 0.817 726 E CB 0.921 30.635 29.700 0.023 0.000 1.078 726 E HN 0.146 nan 8.360 nan 0.000 0.396 727 P HA 0.095 nan 4.420 nan 0.000 0.267 727 P C 0.300 177.629 177.300 0.049 0.000 1.205 727 P CA 0.564 63.693 63.100 0.048 0.000 0.765 727 P CB 0.761 32.484 31.700 0.039 0.000 0.828 728 G N 1.614 110.450 108.800 0.059 0.000 2.179 728 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.257 728 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.257 728 G C 0.507 175.447 174.900 0.066 0.000 1.010 728 G CA 0.286 45.422 45.100 0.059 0.000 0.736 728 G HN 0.772 nan 8.290 nan 0.000 0.513 729 T N -0.384 114.216 114.554 0.077 0.000 2.908 729 T HA 0.294 4.642 4.350 -0.003 0.000 0.325 729 T C 0.850 175.592 174.700 0.070 0.000 1.092 729 T CA 0.250 62.387 62.100 0.062 0.000 1.125 729 T CB 0.298 69.195 68.868 0.049 0.000 1.016 729 T HN 1.071 nan 8.240 nan 0.000 0.550 730 L N 4.169 125.415 121.223 0.039 0.000 2.410 730 L HA 0.313 4.651 4.340 -0.003 0.000 0.273 730 L C 0.037 176.919 176.870 0.021 0.000 1.152 730 L CA -0.114 54.741 54.840 0.026 0.000 0.855 730 L CB 0.660 42.715 42.059 -0.006 0.000 1.129 730 L HN 0.633 nan 8.230 nan 0.000 0.463 731 D N 3.526 123.962 120.400 0.060 0.000 2.316 731 D HA 0.121 4.758 4.640 -0.003 0.000 0.245 731 D C 0.527 176.850 176.300 0.038 0.000 1.171 731 D CA 0.041 54.083 54.000 0.070 0.000 0.856 731 D CB 0.935 41.882 40.800 0.245 0.000 1.090 731 D HN 0.602 nan 8.370 nan 0.000 0.476 732 K N 2.910 123.328 120.400 0.029 0.000 2.366 732 K HA -0.113 4.205 4.320 -0.003 0.000 0.198 732 K C 0.747 177.497 176.600 0.251 0.000 1.044 732 K CA 0.581 56.920 56.287 0.087 0.000 0.973 732 K CB 0.186 32.730 32.500 0.072 0.000 0.767 732 K HN 0.521 nan 8.250 nan 0.000 0.475 733 Y N 0.126 120.515 120.300 0.148 0.000 2.422 733 Y HA 0.204 4.752 4.550 -0.003 0.000 0.291 733 Y C 0.738 176.794 175.900 0.259 0.000 1.144 733 Y CA 0.882 59.124 58.100 0.238 0.000 1.208 733 Y CB 1.283 39.846 38.460 0.172 0.000 1.195 733 Y HN 0.005 nan 8.280 nan 0.000 0.535 734 G N 1.767 110.595 108.800 0.045 0.000 2.587 734 G HA2 -0.093 3.865 3.960 -0.003 0.000 0.216 734 G HA3 -0.093 3.865 3.960 -0.003 0.000 0.216 734 G C -1.618 173.389 174.900 0.179 0.000 1.124 734 G CA -0.250 44.839 45.100 -0.017 0.000 0.858 734 G HN 0.311 nan 8.290 nan 0.000 0.523 735 D N 0.793 121.358 120.400 0.275 0.000 2.365 735 D HA 0.331 4.969 4.640 -0.003 0.000 0.237 735 D C 1.385 177.762 176.300 0.128 0.000 1.190 735 D CA -0.071 54.084 54.000 0.258 0.000 0.867 735 D CB 1.530 42.506 40.800 0.293 0.000 1.050 735 D HN 0.186 nan 8.370 nan 0.000 0.491 736 V N 4.718 124.693 119.914 0.102 0.000 2.867 736 V HA -0.158 3.960 4.120 -0.003 0.000 0.260 736 V C 1.392 177.486 176.094 -0.000 0.000 1.099 736 V CA 1.314 63.641 62.300 0.045 0.000 1.122 736 V CB -0.486 31.373 31.823 0.060 0.000 0.708 736 V HN 0.531 nan 8.190 nan 0.000 0.490 737 N N -0.275 118.415 118.700 -0.016 0.000 2.521 737 N HA -0.003 4.735 4.740 -0.003 0.000 0.188 737 N C 1.420 176.849 175.510 -0.134 0.000 1.146 737 N CA 0.799 53.798 53.050 -0.084 0.000 0.893 737 N CB 0.469 38.889 38.487 -0.112 0.000 0.975 737 N HN 0.422 nan 8.380 nan 0.000 0.451 738 V N 0.489 120.342 119.914 -0.103 0.000 2.809 738 V HA -0.065 4.053 4.120 -0.003 0.000 0.256 738 V C 1.904 177.950 176.094 -0.081 0.000 1.080 738 V CA 1.057 63.294 62.300 -0.104 0.000 1.102 738 V CB -0.133 31.681 31.823 -0.014 0.000 0.705 738 V HN 0.278 nan 8.190 nan 0.000 0.475 739 L N -0.337 120.840 121.223 -0.077 0.000 2.590 739 L HA 0.194 4.532 4.340 -0.003 0.000 0.227 739 L C 1.286 178.095 176.870 -0.102 0.000 1.099 739 L CA 0.067 54.852 54.840 -0.093 0.000 0.872 739 L CB -0.040 41.959 42.059 -0.100 0.000 1.088 739 L HN 0.385 nan 8.230 nan 0.000 0.479 740 S N 0.408 116.048 115.700 -0.099 0.000 2.632 740 S HA 0.654 5.122 4.470 -0.003 0.000 0.267 740 S C 0.049 174.583 174.600 -0.109 0.000 1.276 740 S CA -0.634 57.507 58.200 -0.098 0.000 0.998 740 S CB 1.899 65.047 63.200 -0.087 0.000 0.953 740 S HN 0.109 nan 8.310 nan 0.000 0.547 741 A N 0.485 123.244 122.820 -0.102 0.000 2.303 741 A HA 0.537 4.855 4.320 -0.003 0.000 0.317 741 A C -0.341 177.166 177.584 -0.128 0.000 1.149 741 A CA -0.630 51.343 52.037 -0.107 0.000 0.822 741 A CB 0.494 19.433 19.000 -0.102 0.000 1.131 741 A HN 0.835 nan 8.150 nan 0.000 0.493 742 D N 1.834 122.160 120.400 -0.124 0.000 2.499 742 D HA 0.473 5.111 4.640 -0.003 0.000 0.225 742 D C -0.395 175.854 176.300 -0.085 0.000 1.124 742 D CA -0.022 53.904 54.000 -0.124 0.000 0.938 742 D CB -0.362 40.379 40.800 -0.099 0.000 1.014 742 D HN 0.508 nan 8.370 nan 0.000 0.517 743 I N -1.161 119.350 120.570 -0.099 0.000 3.074 743 I HA 0.798 4.966 4.170 -0.003 0.000 0.310 743 I C 0.363 176.434 176.117 -0.076 0.000 1.153 743 I CA -1.479 59.761 61.300 -0.100 0.000 0.993 743 I CB 2.004 39.896 38.000 -0.180 0.000 1.237 743 I HN 0.147 nan 8.210 nan 0.000 0.443 744 G N 0.940 109.712 108.800 -0.047 0.000 2.476 744 G HA2 0.393 4.351 3.960 -0.003 0.000 0.269 744 G HA3 0.393 4.351 3.960 -0.003 0.000 0.269 744 G C 0.884 175.795 174.900 0.017 0.000 1.195 744 G CA 0.173 45.264 45.100 -0.015 0.000 0.843 744 G HN 0.923 nan 8.290 nan 0.000 0.545 745 T N -1.605 112.969 114.554 0.033 0.000 2.720 745 T HA 0.035 4.383 4.350 -0.003 0.000 0.268 745 T C 1.261 176.005 174.700 0.073 0.000 1.037 745 T CA 1.476 63.617 62.100 0.068 0.000 1.144 745 T CB -0.377 68.521 68.868 0.051 0.000 0.864 745 T HN 1.515 nan 8.240 nan 0.000 0.444 746 S N -0.957 114.767 115.700 0.039 0.000 2.655 746 S HA 0.429 4.897 4.470 -0.003 0.000 0.266 746 S C -0.104 174.443 174.600 -0.088 0.000 1.149 746 S CA -1.016 57.192 58.200 0.013 0.000 0.818 746 S CB 1.320 64.543 63.200 0.037 0.000 1.130 746 S HN 0.090 nan 8.310 nan 0.000 0.476 747 K N -0.248 120.000 120.400 -0.254 0.000 2.365 747 K HA 0.128 4.446 4.320 -0.003 0.000 0.199 747 K C 1.704 177.972 176.600 -0.552 0.000 1.045 747 K CA 0.915 56.889 56.287 -0.521 0.000 0.962 747 K CB -0.415 31.418 32.500 -1.112 0.000 0.759 747 K HN 0.461 nan 8.250 nan 0.000 0.469 748 L N 0.255 121.278 121.223 -0.332 0.000 1.988 748 L HA -0.126 4.212 4.340 -0.003 0.000 0.207 748 L C 1.957 178.688 176.870 -0.231 0.000 1.071 748 L CA 1.931 56.678 54.840 -0.155 0.000 0.744 748 L CB -0.177 41.859 42.059 -0.039 0.000 0.893 748 L HN 0.079 nan 8.230 nan 0.000 0.433 749 A N -3.171 119.592 122.820 -0.096 0.000 2.167 749 A HA 0.132 4.450 4.320 -0.003 0.000 0.208 749 A C 0.740 178.451 177.584 0.211 0.000 1.198 749 A CA 0.113 52.161 52.037 0.018 0.000 0.863 749 A CB 0.216 19.224 19.000 0.014 0.000 0.904 749 A HN 0.483 nan 8.150 nan 0.000 0.484 750 Q N -0.678 119.191 119.800 0.115 0.000 2.475 750 Q HA -0.177 4.161 4.340 -0.003 0.000 0.280 750 Q C 0.539 176.555 176.000 0.026 0.000 1.234 750 Q CA 0.883 56.741 55.803 0.091 0.000 0.873 750 Q CB -2.480 26.353 28.738 0.159 0.000 1.256 750 Q HN 0.786 nan 8.270 nan 0.000 0.475 751 G N 1.011 109.818 108.800 0.011 0.000 2.599 751 G HA2 0.349 4.307 3.960 -0.003 0.000 0.264 751 G HA3 0.349 4.307 3.960 -0.003 0.000 0.264 751 G C 0.335 175.194 174.900 -0.068 0.000 1.200 751 G CA 0.000 45.073 45.100 -0.045 0.000 0.896 751 G HN 0.471 nan 8.290 nan 0.000 0.536 752 N N -2.375 116.256 118.700 -0.115 0.000 2.483 752 N HA 0.274 5.012 4.740 -0.003 0.000 0.269 752 N C -0.303 175.211 175.510 0.007 0.000 1.209 752 N CA -0.566 52.442 53.050 -0.069 0.000 0.969 752 N CB 1.432 39.880 38.487 -0.065 0.000 1.173 752 N HN 0.210 nan 8.380 nan 0.000 0.475 753 C N 1.609 120.912 119.300 0.005 0.000 2.534 753 C HA 0.460 4.918 4.460 -0.003 0.000 0.285 753 C C 1.777 176.794 174.990 0.044 0.000 1.505 753 C CA -0.726 58.312 59.018 0.033 0.000 1.715 753 C CB -0.996 26.737 27.740 -0.012 0.000 2.935 753 C HN 0.996 nan 8.230 nan 0.000 0.540 754 G N 0.325 109.173 108.800 0.080 0.000 2.535 754 G HA2 -0.161 3.797 3.960 -0.003 0.000 0.218 754 G HA3 -0.161 3.797 3.960 -0.003 0.000 0.218 754 G C 1.293 176.251 174.900 0.097 0.000 1.122 754 G CA 0.672 45.820 45.100 0.081 0.000 0.769 754 G HN 0.706 nan 8.290 nan 0.000 0.549 755 Q N -0.299 119.581 119.800 0.134 0.000 2.179 755 Q HA 0.091 4.429 4.340 -0.003 0.000 0.213 755 Q C -0.099 176.004 176.000 0.172 0.000 0.833 755 Q CA -0.051 55.852 55.803 0.166 0.000 0.990 755 Q CB 0.863 29.750 28.738 0.248 0.000 1.132 755 Q HN 0.164 nan 8.270 nan 0.000 0.493 756 T N 1.511 116.131 114.554 0.109 0.000 3.316 756 T HA 0.323 4.671 4.350 -0.003 0.000 0.341 756 T C -0.627 174.076 174.700 0.006 0.000 1.397 756 T CA -0.001 62.169 62.100 0.117 0.000 1.085 756 T CB 0.223 69.144 68.868 0.089 0.000 1.160 756 T HN -0.131 nan 8.240 nan 0.000 0.694 757 V N 4.759 124.600 119.914 -0.122 0.000 2.612 757 V HA 0.503 4.620 4.120 -0.003 0.000 0.301 757 V C -0.452 175.502 176.094 -0.234 0.000 1.059 757 V CA -0.947 61.244 62.300 -0.181 0.000 0.886 757 V CB 1.921 33.621 31.823 -0.204 0.000 1.007 757 V HN 0.616 nan 8.190 nan 0.000 0.426 758 L N 3.697 124.860 121.223 -0.101 0.000 2.342 758 L HA 1.042 5.380 4.340 -0.003 0.000 0.271 758 L C 0.155 176.950 176.870 -0.126 0.000 1.008 758 L CA -0.527 54.287 54.840 -0.043 0.000 0.818 758 L CB 2.044 44.163 42.059 0.101 0.000 1.296 758 L HN 0.836 nan 8.230 nan 0.000 0.427 759 A N 1.624 124.370 122.820 -0.122 0.000 2.581 759 A HA 0.726 5.044 4.320 -0.003 0.000 0.290 759 A C -1.723 175.754 177.584 -0.178 0.000 1.119 759 A CA -0.456 51.388 52.037 -0.322 0.000 0.670 759 A CB 2.078 20.899 19.000 -0.298 0.000 1.280 759 A HN 0.616 nan 8.150 nan 0.000 0.425 760 E N -0.531 119.463 120.200 -0.342 0.000 2.244 760 E HA 0.696 5.044 4.350 -0.003 0.000 0.266 760 E C -1.633 174.842 176.600 -0.209 0.000 0.914 760 E CA -0.462 55.827 56.400 -0.186 0.000 0.794 760 E CB 1.988 31.612 29.700 -0.127 0.000 1.210 760 E HN 0.672 nan 8.360 nan 0.000 0.414 761 V N 3.497 123.392 119.914 -0.031 0.000 2.656 761 V HA 0.511 4.629 4.120 -0.003 0.000 0.307 761 V C -0.720 175.435 176.094 0.102 0.000 1.051 761 V CA -0.706 61.618 62.300 0.039 0.000 0.893 761 V CB 1.531 33.369 31.823 0.024 0.000 0.999 761 V HN 0.806 nan 8.190 nan 0.000 0.426 762 E N 2.946 123.233 120.200 0.144 0.000 2.367 762 E HA 0.493 4.841 4.350 -0.003 0.000 0.273 762 E C -0.976 175.688 176.600 0.107 0.000 0.903 762 E CA -1.133 55.343 56.400 0.126 0.000 0.764 762 E CB 2.519 32.310 29.700 0.150 0.000 1.252 762 E HN 0.510 nan 8.360 nan 0.000 0.446 763 K N 2.191 122.638 120.400 0.078 0.000 2.484 763 K HA -0.052 4.266 4.320 -0.003 0.000 0.280 763 K C -1.102 175.556 176.600 0.097 0.000 1.013 763 K CA -0.223 56.108 56.287 0.073 0.000 1.029 763 K CB 0.268 32.793 32.500 0.041 0.000 0.902 763 K HN 0.535 nan 8.250 nan 0.000 0.481 764 Y N 4.093 124.385 120.300 -0.013 0.000 2.393 764 Y HA 0.073 4.621 4.550 -0.003 0.000 0.338 764 Y C 0.593 176.486 175.900 -0.012 0.000 1.029 764 Y CA 0.373 58.460 58.100 -0.021 0.000 1.239 764 Y CB 0.946 39.377 38.460 -0.048 0.000 1.170 764 Y HN 0.755 nan 8.280 nan 0.000 0.515 765 T N 1.360 115.546 114.554 -0.614 0.000 3.058 765 T HA 0.364 4.712 4.350 -0.003 0.000 0.278 765 T C 0.851 175.169 174.700 -0.636 0.000 0.974 765 T CA 0.090 61.904 62.100 -0.477 0.000 0.893 765 T CB -0.318 68.415 68.868 -0.224 0.000 1.138 765 T HN 0.753 nan 8.240 nan 0.000 0.529 766 G N 2.944 111.030 108.800 -1.190 0.000 2.583 766 G HA2 0.501 4.459 3.960 -0.003 0.000 0.275 766 G HA3 0.501 4.459 3.960 -0.003 0.000 0.275 766 G C -2.236 172.459 174.900 -0.342 0.000 1.342 766 G CA -1.123 43.590 45.100 -0.645 0.000 1.030 766 G HN 0.279 nan 8.290 nan 0.000 0.520 767 P HA 0.309 nan 4.420 nan 0.000 0.268 767 P C 0.049 177.451 177.300 0.170 0.000 1.205 767 P CA -0.095 63.035 63.100 0.049 0.000 0.771 767 P CB 0.562 32.296 31.700 0.058 0.000 0.858 768 A N 2.757 125.656 122.820 0.131 0.000 2.520 768 A HA 0.251 4.569 4.320 -0.003 0.000 0.235 768 A C 0.076 177.750 177.584 0.150 0.000 1.065 768 A CA 0.012 52.148 52.037 0.165 0.000 0.764 768 A CB -0.040 19.023 19.000 0.105 0.000 1.002 768 A HN 0.442 nan 8.150 nan 0.000 0.502 769 V N 1.690 121.697 119.914 0.154 0.000 2.769 769 V HA 0.572 4.689 4.120 -0.003 0.000 0.312 769 V C 0.123 176.265 176.094 0.081 0.000 1.061 769 V CA -0.340 62.023 62.300 0.105 0.000 0.931 769 V CB 2.515 34.395 31.823 0.095 0.000 1.010 769 V HN 1.007 nan 8.190 nan 0.000 0.433 770 T N 6.371 120.953 114.554 0.047 0.000 2.771 770 T HA 0.538 4.885 4.350 -0.003 0.000 0.281 770 T C -0.313 174.398 174.700 0.019 0.000 0.982 770 T CA -0.258 61.860 62.100 0.029 0.000 0.978 770 T CB 0.853 69.729 68.868 0.013 0.000 0.930 770 T HN 0.403 nan 8.240 nan 0.000 0.447 771 L N 3.550 124.785 121.223 0.020 0.000 2.319 771 L HA 0.312 4.650 4.340 -0.003 0.000 0.280 771 L C 1.473 178.333 176.870 -0.016 0.000 1.099 771 L CA -0.291 54.559 54.840 0.017 0.000 0.828 771 L CB 0.723 42.820 42.059 0.063 0.000 1.150 771 L HN 0.866 nan 8.230 nan 0.000 0.442 772 T N -2.848 111.664 114.554 -0.070 0.000 3.043 772 T HA 0.091 4.438 4.350 -0.003 0.000 0.272 772 T C 1.388 175.994 174.700 -0.156 0.000 0.990 772 T CA 0.278 62.322 62.100 -0.093 0.000 0.897 772 T CB 0.609 69.418 68.868 -0.098 0.000 1.111 772 T HN 0.656 nan 8.240 nan 0.000 0.529 773 G N 0.703 109.327 108.800 -0.294 0.000 2.712 773 G HA2 0.174 4.132 3.960 -0.003 0.000 0.212 773 G HA3 0.174 4.132 3.960 -0.003 0.000 0.212 773 G C 0.418 175.073 174.900 -0.408 0.000 1.142 773 G CA -0.019 44.831 45.100 -0.417 0.000 0.789 773 G HN 0.530 nan 8.290 nan 0.000 0.535 774 F N 0.584 120.572 119.950 0.064 0.000 2.684 774 F HA 0.373 4.898 4.527 -0.004 0.000 0.298 774 F C 0.375 176.205 175.800 0.050 0.000 1.120 774 F CA -1.218 56.814 58.000 0.053 0.000 1.332 774 F CB 0.466 39.412 39.000 -0.089 0.000 0.986 774 F HN 0.001 nan 8.300 nan 0.000 0.524 775 V N -2.188 117.801 119.914 0.125 0.000 2.876 775 V HA 0.935 5.053 4.120 -0.003 0.000 0.312 775 V C 0.064 176.137 176.094 -0.035 0.000 1.085 775 V CA -1.734 60.602 62.300 0.060 0.000 0.945 775 V CB 1.035 32.868 31.823 0.017 0.000 1.017 775 V HN 0.035 nan 8.190 nan 0.000 0.428 776 A N 3.576 126.349 122.820 -0.079 0.000 2.406 776 A HA 0.717 5.035 4.320 -0.003 0.000 0.243 776 A C -2.224 175.111 177.584 -0.415 0.000 1.082 776 A CA -1.132 50.693 52.037 -0.353 0.000 0.786 776 A CB -0.736 18.116 19.000 -0.248 0.000 1.029 776 A HN 0.864 nan 8.150 nan 0.000 0.495 777 P HA 0.054 nan 4.420 nan 0.000 0.265 777 P C 0.319 177.455 177.300 -0.273 0.000 1.187 777 P CA 0.098 62.931 63.100 -0.445 0.000 0.766 777 P CB 0.412 31.785 31.700 -0.545 0.000 0.820 778 K N 2.613 122.917 120.400 -0.161 0.000 2.059 778 K HA -0.226 4.092 4.320 -0.003 0.000 0.212 778 K C 1.900 178.462 176.600 -0.063 0.000 1.050 778 K CA 2.102 58.332 56.287 -0.094 0.000 0.927 778 K CB -0.639 31.820 32.500 -0.068 0.000 0.714 778 K HN 0.487 nan 8.250 nan 0.000 0.447 779 A N 0.930 123.721 122.820 -0.049 0.000 2.125 779 A HA -0.025 4.293 4.320 -0.003 0.000 0.219 779 A C 2.047 179.646 177.584 0.024 0.000 1.156 779 A CA 1.558 53.595 52.037 -0.001 0.000 0.671 779 A CB -0.393 18.629 19.000 0.037 0.000 0.794 779 A HN 0.344 nan 8.150 nan 0.000 0.459 780 A N -0.720 122.085 122.820 -0.025 0.000 2.275 780 A HA 0.250 4.568 4.320 -0.003 0.000 0.212 780 A C 0.812 178.454 177.584 0.098 0.000 1.201 780 A CA -0.214 51.865 52.037 0.069 0.000 0.843 780 A CB -0.038 18.952 19.000 -0.017 0.000 0.873 780 A HN 0.431 nan 8.150 nan 0.000 0.492 781 E N 0.000 120.228 120.200 0.047 0.000 2.725 781 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 781 E CA 0.000 56.428 56.400 0.047 0.000 0.976 781 E CB 0.000 29.708 29.700 0.014 0.000 0.812 781 E HN 0.000 nan 8.360 nan 0.000 0.440