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 2pmz_1_A DATA FIRST_RESID 4 DATA SEQUENCE KNIKGIKFGI LSPDEIRKMS VTAIITPXXX XXXXXXXXXX XMDPRLGVIE DATA SEQUENCE PGQKcPTCGN TLGNcPGHFG HIELVRPVIH VGLVKHIYEF LKAXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX KLTPSDIRER LEKIPDSDVE ILGYDPTTSR DATA SEQUENCE PEWMILTVLP VPPITIRPSX XXXXXXXXED DLTHKLVDIV RINERLKESI DATA SEQUENCE DAGAPQLIIE DLWDLLQYHV ATYFDNEIPG LPPSKHRSGR PLRTLAQRLK DATA SEQUENCE GKEGRFRGNL SGKRVDFSSR TVISPDPNIS IDEVGVPEII AKTLTVPERI DATA SEQUENCE TPWNIEKLRQ FVINGPDKWP GANYVIRPDG RRIDLRYVKD RKELASTLAP DATA SEQUENCE GYIIERHLID GDIVLFNRQP SLHRISMMAH RVRVLKGLTF RLNLLVCPPY DATA SEQUENCE NADFDGDEMN LHVPQSEEAI AEAKEIMLVH KNIITPRYGG PIIGAAQDYI DATA SEQUENCE SGAYLLTVKT TLLTKEEAQQ ILGVADVKID LGEPAILAPR EYYTGKQVIS DATA SEQUENCE AFLPKDFNFH GQANVSSGPR LCKNEDCPHD SYVVIKNGIL LEGVFDKKAI DATA SEQUENCE GNQQPESILH WLIKEYSDEY GKWLMDNLFR VFIRFVELQG FTMRLEDVSL DATA SEQUENCE GDDVKKEIYN EIDRAKVEVD NLIQKYKNGE LEPIPGRTLE ESLENYILDT DATA SEQUENCE LDKLRSTAGD IASKYLDPFN FAYVMARTGA RGSVLNITQM AAMLGQQSVR DATA SEQUENCE GERIKRGYMT RTLPHFKPYD ISPEARGFIY SSFRTGLKPT ELFFHAAGGR DATA SEQUENCE EGLVDTAVRT SQSGYMQRRL INALSDLRAE YDGTVRSLYG EVVQVAYGDD DATA SEQUENCE GVFPMYSAHG KTVDVNRIFE RVVGWK 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.591 176.600 -0.014 0.000 0.988 4 K CA 0.000 56.279 56.287 -0.014 0.000 0.838 4 K CB 0.000 32.491 32.500 -0.016 0.000 1.064 5 N N 3.877 122.568 118.700 -0.016 0.000 2.571 5 N HA 0.354 5.093 4.740 -0.002 0.000 0.286 5 N C -1.097 174.402 175.510 -0.019 0.000 1.138 5 N CA -0.483 52.558 53.050 -0.016 0.000 0.859 5 N CB 1.017 39.496 38.487 -0.013 0.000 1.414 5 N HN 0.491 nan 8.380 nan 0.000 0.529 6 I N 1.754 122.311 120.570 -0.022 0.000 2.775 6 I HA 0.003 4.172 4.170 -0.002 0.000 0.290 6 I C 0.696 176.798 176.117 -0.024 0.000 1.203 6 I CA 0.722 62.005 61.300 -0.028 0.000 1.433 6 I CB 0.480 38.461 38.000 -0.031 0.000 1.354 6 I HN 0.428 nan 8.210 nan 0.000 0.579 7 K N 4.689 125.072 120.400 -0.028 0.000 3.072 7 K HA 0.417 4.736 4.320 -0.002 0.000 0.216 7 K C -0.864 175.720 176.600 -0.027 0.000 1.253 7 K CA -0.282 55.992 56.287 -0.021 0.000 0.891 7 K CB 0.633 33.125 32.500 -0.013 0.000 1.224 7 K HN 0.949 nan 8.250 nan 0.000 0.570 8 G N 3.533 112.309 108.800 -0.040 0.000 2.661 8 G HA2 0.084 4.042 3.960 -0.002 0.000 0.262 8 G HA3 0.084 4.042 3.960 -0.002 0.000 0.262 8 G C -1.031 173.802 174.900 -0.112 0.000 1.310 8 G CA -0.955 44.113 45.100 -0.053 0.000 1.160 8 G HN 0.301 nan 8.290 nan 0.000 0.598 9 I N 2.321 122.791 120.570 -0.168 0.000 2.287 9 I HA 0.252 4.420 4.170 -0.002 0.000 0.290 9 I C 0.820 176.657 176.117 -0.466 0.000 1.069 9 I CA -0.483 60.588 61.300 -0.383 0.000 1.237 9 I CB 1.279 38.941 38.000 -0.563 0.000 1.418 9 I HN 0.353 nan 8.210 nan 0.000 0.481 10 K N 6.845 127.056 120.400 -0.315 0.000 2.278 10 K HA 0.267 4.585 4.320 -0.002 0.000 0.289 10 K C -0.386 176.089 176.600 -0.209 0.000 1.080 10 K CA -0.283 55.895 56.287 -0.182 0.000 0.934 10 K CB 0.327 32.767 32.500 -0.101 0.000 1.093 10 K HN 0.216 nan 8.250 nan 0.000 0.459 11 F N 1.631 121.575 119.950 -0.011 0.000 2.239 11 F HA 0.499 5.025 4.527 -0.003 0.000 0.288 11 F C 1.628 177.418 175.800 -0.018 0.000 1.225 11 F CA 0.992 58.986 58.000 -0.012 0.000 1.162 11 F CB 0.690 39.689 39.000 -0.002 0.000 1.484 11 F HN 0.727 nan 8.300 nan 0.000 0.512 12 G N -0.563 108.398 108.800 0.268 0.000 2.334 12 G HA2 0.157 4.115 3.960 -0.002 0.000 0.249 12 G HA3 0.157 4.115 3.960 -0.002 0.000 0.249 12 G C -1.914 173.022 174.900 0.060 0.000 1.327 12 G CA -0.991 44.177 45.100 0.114 0.000 0.979 12 G HN 0.513 nan 8.290 nan 0.000 0.471 13 I N 0.992 121.554 120.570 -0.014 0.000 2.439 13 I HA 0.323 4.491 4.170 -0.002 0.000 0.283 13 I C -0.006 175.923 176.117 -0.313 0.000 1.023 13 I CA -0.757 60.477 61.300 -0.109 0.000 1.100 13 I CB 1.561 39.536 38.000 -0.040 0.000 1.238 13 I HN 0.516 nan 8.210 nan 0.000 0.445 14 L N 6.808 127.815 121.223 -0.360 0.000 2.720 14 L HA -0.114 4.225 4.340 -0.002 0.000 0.289 14 L C 0.615 176.979 176.870 -0.843 0.000 1.232 14 L CA 0.796 55.367 54.840 -0.449 0.000 0.915 14 L CB 0.292 42.154 42.059 -0.328 0.000 1.184 14 L HN 0.689 nan 8.230 nan 0.000 0.491 15 S N 6.227 121.622 115.700 -0.509 0.000 2.610 15 S HA 0.518 4.986 4.470 -0.002 0.000 0.273 15 S C -1.712 172.814 174.600 -0.122 0.000 1.274 15 S CA -0.844 57.107 58.200 -0.414 0.000 1.023 15 S CB 1.105 64.225 63.200 -0.133 0.000 0.962 15 S HN 0.624 nan 8.310 nan 0.000 0.523 16 P HA -0.212 nan 4.420 nan 0.000 0.210 16 P C 1.166 178.554 177.300 0.147 0.000 1.189 16 P CA 1.794 65.110 63.100 0.360 0.000 0.920 16 P CB -0.260 31.697 31.700 0.428 0.000 0.782 17 D N 0.259 120.720 120.400 0.100 0.000 2.149 17 D HA -0.239 4.400 4.640 -0.002 0.000 0.198 17 D C 1.957 178.258 176.300 0.002 0.000 0.990 17 D CA 1.301 55.324 54.000 0.038 0.000 0.839 17 D CB -0.915 39.903 40.800 0.030 0.000 0.948 17 D HN 0.325 nan 8.370 nan 0.000 0.460 18 E N 0.501 120.697 120.200 -0.006 0.000 2.077 18 E HA -0.122 4.227 4.350 -0.002 0.000 0.193 18 E C 2.511 179.087 176.600 -0.041 0.000 0.989 18 E CA 0.654 57.030 56.400 -0.041 0.000 0.800 18 E CB -0.109 29.550 29.700 -0.070 0.000 0.746 18 E HN 0.333 nan 8.360 nan 0.000 0.452 19 I N 0.418 120.982 120.570 -0.010 0.000 2.264 19 I HA -0.297 3.871 4.170 -0.002 0.000 0.248 19 I C 2.491 178.607 176.117 -0.002 0.000 1.111 19 I CA 1.159 62.478 61.300 0.031 0.000 1.382 19 I CB -0.145 37.931 38.000 0.126 0.000 1.060 19 I HN 0.107 nan 8.210 nan 0.000 0.418 20 R N 0.726 121.185 120.500 -0.068 0.000 2.052 20 R HA -0.058 4.280 4.340 -0.002 0.000 0.226 20 R C 2.291 178.492 176.300 -0.165 0.000 1.145 20 R CA 0.951 56.905 56.100 -0.243 0.000 0.952 20 R CB -0.299 29.866 30.300 -0.225 0.000 0.847 20 R HN 0.199 nan 8.270 nan 0.000 0.431 21 K N 0.996 121.342 120.400 -0.090 0.000 2.077 21 K HA -0.260 4.058 4.320 -0.002 0.000 0.213 21 K C 2.187 178.757 176.600 -0.051 0.000 1.051 21 K CA 2.176 58.426 56.287 -0.061 0.000 0.929 21 K CB -0.334 32.139 32.500 -0.045 0.000 0.715 21 K HN 0.248 nan 8.250 nan 0.000 0.451 22 M N 1.066 120.635 119.600 -0.050 0.000 2.279 22 M HA -0.116 4.362 4.480 -0.002 0.000 0.264 22 M C 1.367 177.676 176.300 0.014 0.000 1.062 22 M CA 1.176 56.450 55.300 -0.043 0.000 1.099 22 M CB -0.036 32.516 32.600 -0.079 0.000 1.394 22 M HN 0.040 nan 8.290 nan 0.000 0.426 23 S N -0.451 115.268 115.700 0.031 0.000 2.647 23 S HA 0.134 4.602 4.470 -0.002 0.000 0.251 23 S C 0.789 175.459 174.600 0.115 0.000 1.320 23 S CA 0.606 58.880 58.200 0.122 0.000 0.968 23 S CB 0.735 64.004 63.200 0.115 0.000 1.005 23 S HN 0.725 nan 8.310 nan 0.000 0.576 24 V N -3.269 116.744 119.914 0.165 0.000 3.968 24 V HA 0.395 4.514 4.120 -0.002 0.000 0.298 24 V C -0.144 176.038 176.094 0.146 0.000 1.699 24 V CA 0.064 62.443 62.300 0.131 0.000 1.282 24 V CB -0.123 31.781 31.823 0.135 0.000 0.994 24 V HN 0.653 nan 8.190 nan 0.000 0.402 25 T N 0.507 115.180 114.554 0.198 0.000 2.853 25 T HA 0.787 5.136 4.350 -0.002 0.000 0.311 25 T C 0.518 175.316 174.700 0.163 0.000 1.307 25 T CA 0.302 62.494 62.100 0.153 0.000 1.019 25 T CB 1.981 70.907 68.868 0.096 0.000 1.264 25 T HN 0.451 nan 8.240 nan 0.000 0.497 26 A N 0.934 123.766 122.820 0.021 0.000 2.252 26 A HA 0.533 4.851 4.320 -0.002 0.000 0.213 26 A C 0.393 177.804 177.584 -0.288 0.000 1.188 26 A CA -0.037 51.839 52.037 -0.269 0.000 0.863 26 A CB -0.658 18.296 19.000 -0.077 0.000 0.893 26 A HN 0.854 nan 8.150 nan 0.000 0.495 27 I N -0.709 119.786 120.570 -0.124 0.000 6.340 27 I HA -0.261 3.907 4.170 -0.002 0.000 0.126 27 I C 0.566 176.625 176.117 -0.097 0.000 1.427 27 I CA 0.651 61.895 61.300 -0.093 0.000 2.506 27 I CB -1.039 36.907 38.000 -0.090 0.000 2.696 27 I HN 0.411 nan 8.210 nan 0.000 0.291 28 I N 1.649 122.181 120.570 -0.064 0.000 4.471 28 I HA 0.054 4.223 4.170 -0.002 0.000 0.326 28 I C 0.898 176.987 176.117 -0.046 0.000 1.300 28 I CA 0.243 61.509 61.300 -0.057 0.000 1.237 28 I CB 0.356 38.330 38.000 -0.043 0.000 1.195 28 I HN 0.536 nan 8.210 nan 0.000 0.427 29 T N 5.358 119.889 114.554 -0.038 0.000 2.814 29 T HA 0.220 4.568 4.350 -0.002 0.000 0.297 29 T C -2.037 172.641 174.700 -0.037 0.000 0.956 29 T CA -0.652 61.428 62.100 -0.033 0.000 1.123 29 T CB 0.904 69.758 68.868 -0.023 0.000 0.902 29 T HN 0.142 nan 8.240 nan 0.000 0.528 46 D N 0.531 120.935 120.400 0.007 0.000 3.449 46 D HA 0.357 4.996 4.640 -0.002 0.000 0.262 46 D C -1.954 174.356 176.300 0.016 0.000 1.343 46 D CA -0.617 53.389 54.000 0.010 0.000 0.787 46 D CB 0.124 40.923 40.800 -0.002 0.000 1.412 46 D HN 0.215 nan 8.370 nan 0.000 0.652 47 P HA 0.038 nan 4.420 nan 0.000 0.212 47 P C 0.632 177.967 177.300 0.058 0.000 1.146 47 P CA 0.374 63.495 63.100 0.036 0.000 0.891 47 P CB 0.300 32.021 31.700 0.034 0.000 0.773 48 R N 0.921 121.471 120.500 0.083 0.000 3.081 48 R HA 0.325 4.664 4.340 -0.002 0.000 0.280 48 R C 0.239 176.671 176.300 0.220 0.000 1.372 48 R CA -0.093 56.093 56.100 0.144 0.000 1.242 48 R CB -0.999 29.376 30.300 0.124 0.000 1.316 48 R HN 0.304 nan 8.270 nan 0.000 0.585 49 L N 1.066 122.352 121.223 0.104 0.000 3.030 49 L HA 0.343 4.681 4.340 -0.002 0.000 0.252 49 L C 0.116 176.875 176.870 -0.185 0.000 1.316 49 L CA -0.394 54.455 54.840 0.015 0.000 0.975 49 L CB 0.614 42.674 42.059 0.003 0.000 1.357 49 L HN 0.558 nan 8.230 nan 0.000 0.534 50 G N 0.435 109.021 108.800 -0.356 0.000 2.825 50 G HA2 -0.147 3.812 3.960 -0.002 0.000 0.686 50 G HA3 -0.147 3.812 3.960 -0.002 0.000 0.686 50 G C -0.892 173.941 174.900 -0.111 0.000 1.362 50 G CA -0.903 43.964 45.100 -0.389 0.000 0.975 50 G HN 0.073 nan 8.290 nan 0.000 0.594 51 V N 4.663 124.554 119.914 -0.039 0.000 2.495 51 V HA 0.697 4.815 4.120 -0.002 0.000 0.298 51 V C 0.820 176.907 176.094 -0.012 0.000 1.031 51 V CA -0.736 61.557 62.300 -0.011 0.000 0.871 51 V CB 1.577 33.412 31.823 0.019 0.000 0.988 51 V HN 1.116 nan 8.190 nan 0.000 0.432 52 I N 1.762 122.322 120.570 -0.015 0.000 2.707 52 I HA 0.813 4.982 4.170 -0.002 0.000 0.309 52 I C -0.295 175.819 176.117 -0.004 0.000 1.001 52 I CA -0.762 60.531 61.300 -0.012 0.000 1.129 52 I CB 1.289 39.277 38.000 -0.020 0.000 1.308 52 I HN 0.935 nan 8.210 nan 0.000 0.466 53 E N 1.955 122.154 120.200 -0.000 0.000 8.471 53 E HA -0.074 4.275 4.350 -0.002 0.000 0.493 53 E C -2.559 174.045 176.600 0.008 0.000 1.181 53 E CA -0.387 56.015 56.400 0.003 0.000 2.199 53 E CB -1.016 28.685 29.700 0.002 0.000 0.985 53 E HN 0.586 nan 8.360 nan 0.000 0.262 54 P HA 0.072 nan 4.420 nan 0.000 0.271 54 P C -0.336 176.971 177.300 0.013 0.000 1.601 54 P CA 0.781 63.889 63.100 0.012 0.000 0.856 54 P CB -0.228 31.479 31.700 0.012 0.000 1.820 55 G N 0.784 109.592 108.800 0.014 0.000 2.356 55 G HA2 0.111 4.070 3.960 -0.002 0.000 0.312 55 G HA3 0.111 4.070 3.960 -0.002 0.000 0.312 55 G C 0.829 175.741 174.900 0.020 0.000 1.096 55 G CA -0.230 44.879 45.100 0.016 0.000 0.950 55 G HN 0.055 nan 8.290 nan 0.000 0.428 56 Q N 1.245 121.056 119.800 0.018 0.000 2.342 56 Q HA -0.290 4.049 4.340 -0.002 0.000 0.219 56 Q C 1.126 177.140 176.000 0.024 0.000 1.030 56 Q CA 2.634 58.449 55.803 0.019 0.000 0.982 56 Q CB -0.271 28.477 28.738 0.017 0.000 1.014 56 Q HN 0.841 nan 8.270 nan 0.000 0.420 57 K N -4.995 115.423 120.400 0.029 0.000 2.999 57 K HA 0.336 4.655 4.320 -0.002 0.000 0.295 57 K C -0.341 176.289 176.600 0.050 0.000 1.082 57 K CA -0.433 55.877 56.287 0.039 0.000 0.816 57 K CB -0.073 32.447 32.500 0.033 0.000 1.492 57 K HN 0.062 nan 8.250 nan 0.000 0.362 58 c N -2.549 116.095 118.600 0.074 0.000 3.077 58 c HA 0.546 5.114 4.570 -0.002 0.000 0.090 58 c C -1.683 172.468 174.090 0.100 0.000 2.474 58 c CA -0.138 56.252 56.329 0.100 0.000 1.174 58 c CB -0.748 41.855 42.510 0.155 0.000 2.044 58 c HN 0.785 nan 8.230 nan 0.000 0.523 59 P HA 0.168 nan 4.420 nan 0.000 0.226 59 P C 0.304 177.619 177.300 0.025 0.000 1.783 59 P CA 1.402 64.540 63.100 0.063 0.000 0.980 59 P CB -0.268 31.445 31.700 0.022 0.000 1.967 60 T N -0.114 114.459 114.554 0.032 0.000 8.413 60 T HA -0.249 4.099 4.350 -0.002 0.000 0.334 60 T C 0.954 175.663 174.700 0.014 0.000 1.928 60 T CA 1.446 63.558 62.100 0.020 0.000 2.815 60 T CB -1.974 66.901 68.868 0.011 0.000 2.611 60 T HN 0.398 nan 8.240 nan 0.000 1.239 61 C N 1.427 120.737 119.300 0.017 0.000 2.485 61 C HA 0.411 4.870 4.460 -0.002 0.000 0.283 61 C C 2.247 177.249 174.990 0.020 0.000 1.478 61 C CA 0.260 59.284 59.018 0.010 0.000 1.741 61 C CB -1.743 26.000 27.740 0.005 0.000 1.675 61 C HN 1.252 nan 8.230 nan 0.000 0.573 62 G N 2.066 110.881 108.800 0.025 0.000 2.341 62 G HA2 -0.298 3.660 3.960 -0.002 0.000 0.292 62 G HA3 -0.298 3.660 3.960 -0.002 0.000 0.292 62 G C -0.197 174.721 174.900 0.029 0.000 1.021 62 G CA 0.069 45.183 45.100 0.024 0.000 0.905 62 G HN 0.817 nan 8.290 nan 0.000 0.508 63 N N 1.281 120.006 118.700 0.041 0.000 2.739 63 N HA 0.233 4.971 4.740 -0.002 0.000 0.266 63 N C 1.577 177.110 175.510 0.037 0.000 1.168 63 N CA 0.115 53.192 53.050 0.046 0.000 1.055 63 N CB 0.415 38.945 38.487 0.073 0.000 1.393 63 N HN 0.392 nan 8.380 nan 0.000 0.514 64 T N 1.501 116.072 114.554 0.029 0.000 6.302 64 T HA -0.211 4.137 4.350 -0.002 0.000 0.354 64 T C 1.128 175.842 174.700 0.024 0.000 0.886 64 T CA 0.396 62.511 62.100 0.025 0.000 0.829 64 T CB -0.224 68.657 68.868 0.022 0.000 0.763 64 T HN 0.371 nan 8.240 nan 0.000 0.258 65 L N 2.324 123.560 121.223 0.022 0.000 3.036 65 L HA 0.126 4.465 4.340 -0.002 0.000 0.304 65 L C 1.752 178.634 176.870 0.020 0.000 1.203 65 L CA 0.151 55.004 54.840 0.021 0.000 1.194 65 L CB -1.833 40.239 42.059 0.022 0.000 1.517 65 L HN 0.906 nan 8.230 nan 0.000 0.423 66 G N 2.357 111.168 108.800 0.018 0.000 2.453 66 G HA2 -0.408 3.551 3.960 -0.002 0.000 0.313 66 G HA3 -0.408 3.551 3.960 -0.002 0.000 0.313 66 G C 0.832 175.744 174.900 0.020 0.000 0.948 66 G CA 0.998 46.107 45.100 0.015 0.000 0.846 66 G HN 0.815 nan 8.290 nan 0.000 0.512 67 N N -0.916 117.801 118.700 0.028 0.000 2.551 67 N HA 0.053 4.792 4.740 -0.002 0.000 0.199 67 N C 0.797 176.339 175.510 0.053 0.000 1.277 67 N CA 0.353 53.423 53.050 0.034 0.000 0.870 67 N CB -0.243 38.264 38.487 0.033 0.000 1.028 67 N HN 0.360 nan 8.380 nan 0.000 0.452 68 c N 1.818 120.451 118.600 0.054 0.000 2.416 68 c HA 0.256 4.825 4.570 -0.002 0.000 0.355 68 c C -0.589 173.526 174.090 0.041 0.000 1.211 68 c CA -2.080 54.304 56.329 0.092 0.000 1.699 68 c CB 0.173 42.722 42.510 0.066 0.000 2.310 68 c HN 0.470 nan 8.230 nan 0.000 0.539 69 P HA 0.015 nan 4.420 nan 0.000 0.215 69 P C 0.436 177.736 177.300 -0.001 0.000 1.163 69 P CA 1.961 65.100 63.100 0.067 0.000 0.894 69 P CB 0.073 31.847 31.700 0.124 0.000 0.791 70 G N 0.056 108.780 108.800 -0.126 0.000 2.897 70 G HA2 0.040 3.999 3.960 -0.002 0.000 0.392 70 G HA3 0.040 3.999 3.960 -0.002 0.000 0.392 70 G C -1.061 173.848 174.900 0.014 0.000 1.263 70 G CA -0.825 44.147 45.100 -0.214 0.000 1.185 70 G HN 0.299 nan 8.290 nan 0.000 0.573 71 H N 2.364 121.556 119.070 0.204 0.000 2.488 71 H HA 0.560 5.115 4.556 -0.002 0.000 0.322 71 H C 0.654 176.201 175.328 0.364 0.000 1.078 71 H CA -0.930 55.276 56.048 0.264 0.000 1.260 71 H CB 0.767 30.614 29.762 0.141 0.000 1.425 71 H HN 0.387 nan 8.280 nan 0.000 0.471 72 F N 0.575 120.603 119.950 0.131 0.000 2.408 72 F HA 0.430 4.955 4.527 -0.002 0.000 0.303 72 F C 1.495 177.374 175.800 0.131 0.000 1.268 72 F CA -0.025 58.037 58.000 0.104 0.000 1.218 72 F CB 0.796 39.848 39.000 0.087 0.000 1.283 72 F HN 0.598 nan 8.300 nan 0.000 0.545 73 G N -1.402 107.604 108.800 0.343 0.000 3.085 73 G HA2 0.580 4.539 3.960 -0.002 0.000 0.264 73 G HA3 0.580 4.539 3.960 -0.002 0.000 0.264 73 G C -1.645 173.496 174.900 0.401 0.000 1.206 73 G CA -0.464 44.832 45.100 0.328 0.000 0.809 73 G HN 0.795 nan 8.290 nan 0.000 0.592 74 H N -2.434 116.699 119.070 0.104 0.000 2.932 74 H HA 0.554 5.109 4.556 -0.002 0.000 0.307 74 H C -1.305 174.063 175.328 0.066 0.000 1.391 74 H CA -0.761 55.348 56.048 0.102 0.000 1.130 74 H CB 1.272 31.102 29.762 0.113 0.000 1.836 74 H HN 0.428 nan 8.280 nan 0.000 0.522 75 I N -0.384 120.179 120.570 -0.013 0.000 4.557 75 I HA 0.084 4.252 4.170 -0.002 0.000 0.333 75 I C -0.157 175.950 176.117 -0.017 0.000 1.332 75 I CA 0.218 61.466 61.300 -0.086 0.000 1.240 75 I CB 0.080 38.052 38.000 -0.047 0.000 1.312 75 I HN 0.706 nan 8.210 nan 0.000 0.457 76 E N 1.525 121.781 120.200 0.094 0.000 2.966 76 E HA -0.192 4.156 4.350 -0.002 0.000 0.153 76 E C -0.465 176.176 176.600 0.067 0.000 1.949 76 E CA 0.431 56.901 56.400 0.115 0.000 0.672 76 E CB -0.837 28.934 29.700 0.117 0.000 1.072 76 E HN 0.315 nan 8.360 nan 0.000 0.344 77 L N 1.788 123.051 121.223 0.067 0.000 2.483 77 L HA 0.059 4.397 4.340 -0.002 0.000 0.275 77 L C 1.996 178.911 176.870 0.076 0.000 1.220 77 L CA 0.199 55.072 54.840 0.054 0.000 0.833 77 L CB 0.367 42.445 42.059 0.031 0.000 1.102 77 L HN 0.452 nan 8.230 nan 0.000 0.490 78 V N -0.954 119.043 119.914 0.137 0.000 3.565 78 V HA 0.241 4.359 4.120 -0.002 0.000 0.260 78 V C 0.660 176.902 176.094 0.246 0.000 1.231 78 V CA 0.151 62.593 62.300 0.236 0.000 1.100 78 V CB -0.112 31.920 31.823 0.348 0.000 0.807 78 V HN 0.784 nan 8.190 nan 0.000 0.454 79 R N 1.248 121.870 120.500 0.204 0.000 2.575 79 R HA 0.537 4.876 4.340 -0.002 0.000 0.292 79 R C -3.159 173.115 176.300 -0.043 0.000 1.246 79 R CA -2.066 54.020 56.100 -0.023 0.000 0.973 79 R CB 1.286 31.611 30.300 0.042 0.000 1.187 79 R HN 0.112 nan 8.270 nan 0.000 0.478 80 P HA -0.143 nan 4.420 nan 0.000 0.245 80 P C -0.388 176.833 177.300 -0.132 0.000 1.123 80 P CA 0.378 63.393 63.100 -0.141 0.000 0.853 80 P CB 0.058 31.655 31.700 -0.171 0.000 0.786 81 V N 2.360 122.202 119.914 -0.119 0.000 2.785 81 V HA 0.355 4.474 4.120 -0.002 0.000 0.300 81 V C 0.370 176.392 176.094 -0.121 0.000 1.062 81 V CA -0.984 61.248 62.300 -0.114 0.000 1.029 81 V CB 1.335 33.093 31.823 -0.108 0.000 1.024 81 V HN 0.230 nan 8.190 nan 0.000 0.477 82 I N 3.007 123.522 120.570 -0.091 0.000 2.312 82 I HA 0.306 4.475 4.170 -0.002 0.000 0.291 82 I C 0.394 176.523 176.117 0.020 0.000 1.031 82 I CA -0.209 61.071 61.300 -0.032 0.000 1.293 82 I CB 0.273 38.265 38.000 -0.014 0.000 1.403 82 I HN 0.879 nan 8.210 nan 0.000 0.484 83 H N 7.566 126.637 119.070 0.001 0.000 3.217 83 H HA -0.010 4.545 4.556 -0.002 0.000 0.272 83 H C 1.144 176.513 175.328 0.067 0.000 0.929 83 H CA 0.707 56.797 56.048 0.069 0.000 1.425 83 H CB 0.798 30.726 29.762 0.277 0.000 1.505 83 H HN 0.630 nan 8.280 nan 0.000 0.542 84 V N 4.157 124.161 119.914 0.150 0.000 2.370 84 V HA -0.249 3.870 4.120 -0.002 0.000 0.252 84 V C 2.446 178.725 176.094 0.307 0.000 1.068 84 V CA 2.008 64.412 62.300 0.174 0.000 1.061 84 V CB -1.167 30.696 31.823 0.066 0.000 0.656 84 V HN 0.726 nan 8.190 nan 0.000 0.455 85 G N 0.056 109.222 108.800 0.609 0.000 2.430 85 G HA2 -0.005 3.954 3.960 -0.002 0.000 0.216 85 G HA3 -0.005 3.954 3.960 -0.002 0.000 0.216 85 G C 1.435 176.414 174.900 0.131 0.000 1.146 85 G CA 0.561 45.863 45.100 0.336 0.000 0.793 85 G HN 0.542 nan 8.290 nan 0.000 0.537 86 L N 0.831 122.106 121.223 0.087 0.000 2.591 86 L HA 0.165 4.503 4.340 -0.002 0.000 0.228 86 L C 2.552 179.507 176.870 0.141 0.000 1.133 86 L CA -0.326 54.564 54.840 0.084 0.000 0.880 86 L CB 0.069 42.147 42.059 0.032 0.000 1.033 86 L HN 0.106 nan 8.230 nan 0.000 0.450 87 V N 1.042 121.042 119.914 0.143 0.000 2.250 87 V HA -0.371 3.748 4.120 -0.002 0.000 0.253 87 V C 2.580 178.759 176.094 0.141 0.000 1.065 87 V CA 2.081 64.476 62.300 0.158 0.000 1.039 87 V CB -0.211 31.696 31.823 0.140 0.000 0.647 87 V HN 0.515 nan 8.190 nan 0.000 0.446 88 K N -0.697 119.695 120.400 -0.013 0.000 2.228 88 K HA -0.215 4.103 4.320 -0.002 0.000 0.205 88 K C 1.930 178.517 176.600 -0.022 0.000 1.045 88 K CA 2.144 58.359 56.287 -0.119 0.000 0.931 88 K CB -0.896 31.444 32.500 -0.267 0.000 0.727 88 K HN 0.708 nan 8.250 nan 0.000 0.458 89 H N 0.186 119.396 119.070 0.233 0.000 2.388 89 H HA 0.203 4.758 4.556 -0.002 0.000 0.304 89 H C 2.248 177.826 175.328 0.417 0.000 1.049 89 H CA 0.597 56.857 56.048 0.354 0.000 1.371 89 H CB -0.119 29.892 29.762 0.414 0.000 1.436 89 H HN 0.067 nan 8.280 nan 0.000 0.544 90 I N 0.371 121.148 120.570 0.345 0.000 2.850 90 I HA -0.252 3.916 4.170 -0.002 0.000 0.266 90 I C 1.798 178.062 176.117 0.244 0.000 1.257 90 I CA 0.980 62.389 61.300 0.182 0.000 1.465 90 I CB -0.244 37.796 38.000 0.066 0.000 1.091 90 I HN 0.094 nan 8.210 nan 0.000 0.467 91 Y N 1.099 121.486 120.300 0.146 0.000 2.510 91 Y HA 0.036 4.585 4.550 -0.002 0.000 0.273 91 Y C 2.086 178.051 175.900 0.107 0.000 1.119 91 Y CA 0.809 58.967 58.100 0.096 0.000 1.286 91 Y CB 0.309 38.806 38.460 0.062 0.000 1.061 91 Y HN 0.160 nan 8.280 nan 0.000 0.542 92 E N -1.802 118.606 120.200 0.346 0.000 2.413 92 E HA -0.009 4.340 4.350 -0.002 0.000 0.203 92 E C 1.401 178.071 176.600 0.117 0.000 0.957 92 E CA 0.075 56.604 56.400 0.214 0.000 0.950 92 E CB -0.067 29.743 29.700 0.183 0.000 0.957 92 E HN 0.314 nan 8.360 nan 0.000 0.497 93 F N 1.576 121.543 119.950 0.028 0.000 2.134 93 F HA -0.149 4.377 4.527 -0.002 0.000 0.299 93 F C 2.065 177.852 175.800 -0.023 0.000 1.097 93 F CA 1.202 59.177 58.000 -0.042 0.000 1.264 93 F CB -0.157 38.795 39.000 -0.081 0.000 1.001 93 F HN -0.028 nan 8.300 nan 0.000 0.479 94 L N -0.426 120.900 121.223 0.170 0.000 2.191 94 L HA -0.198 4.141 4.340 -0.002 0.000 0.212 94 L C 1.642 178.535 176.870 0.038 0.000 1.103 94 L CA 1.184 56.065 54.840 0.068 0.000 0.769 94 L CB -0.835 41.228 42.059 0.008 0.000 0.908 94 L HN 0.051 nan 8.230 nan 0.000 0.438 95 K N 0.622 121.051 120.400 0.049 0.000 2.665 95 K HA 0.213 4.531 4.320 -0.002 0.000 0.196 95 K C 0.260 176.865 176.600 0.009 0.000 1.021 95 K CA 0.187 56.495 56.287 0.035 0.000 1.066 95 K CB -0.101 32.435 32.500 0.059 0.000 0.849 95 K HN 0.350 nan 8.250 nan 0.000 0.500 175 L N 0.574 121.755 121.223 -0.070 0.000 2.671 175 L HA 0.447 4.786 4.340 -0.002 0.000 0.188 175 L C 0.340 177.164 176.870 -0.076 0.000 1.165 175 L CA 0.408 55.203 54.840 -0.075 0.000 0.926 175 L CB 0.910 42.913 42.059 -0.094 0.000 1.664 175 L HN 0.780 nan 8.230 nan 0.000 0.512 176 T N -2.368 112.134 114.554 -0.087 0.000 2.906 176 T HA 0.469 4.817 4.350 -0.002 0.000 0.295 176 T C -2.283 172.351 174.700 -0.109 0.000 1.061 176 T CA -1.823 60.219 62.100 -0.097 0.000 1.000 176 T CB 1.751 70.554 68.868 -0.108 0.000 1.103 176 T HN 0.246 nan 8.240 nan 0.000 0.486 177 P HA -0.084 nan 4.420 nan 0.000 0.211 177 P C 1.694 178.912 177.300 -0.137 0.000 1.179 177 P CA 1.814 64.841 63.100 -0.122 0.000 0.910 177 P CB -0.082 31.543 31.700 -0.125 0.000 0.785 178 S N -1.587 114.015 115.700 -0.164 0.000 2.537 178 S HA -0.149 4.320 4.470 -0.002 0.000 0.240 178 S C 1.372 175.887 174.600 -0.143 0.000 0.981 178 S CA 1.572 59.670 58.200 -0.170 0.000 0.948 178 S CB -1.205 61.862 63.200 -0.221 0.000 0.759 178 S HN 0.090 nan 8.310 nan 0.000 0.531 179 D N 1.065 121.388 120.400 -0.129 0.000 2.277 179 D HA 0.286 4.924 4.640 -0.002 0.000 0.209 179 D C 1.715 177.958 176.300 -0.094 0.000 0.970 179 D CA 0.420 54.356 54.000 -0.106 0.000 0.874 179 D CB -0.063 40.678 40.800 -0.098 0.000 0.982 179 D HN 0.397 nan 8.370 nan 0.000 0.504 180 I N 0.331 120.842 120.570 -0.099 0.000 2.226 180 I HA -0.191 3.977 4.170 -0.002 0.000 0.245 180 I C 2.414 178.476 176.117 -0.093 0.000 1.100 180 I CA 0.818 62.063 61.300 -0.090 0.000 1.374 180 I CB -0.216 37.728 38.000 -0.093 0.000 1.057 180 I HN -0.048 nan 8.210 nan 0.000 0.413 181 R N 1.214 121.648 120.500 -0.111 0.000 2.120 181 R HA -0.210 4.129 4.340 -0.002 0.000 0.234 181 R C 2.160 178.401 176.300 -0.097 0.000 1.123 181 R CA 1.535 57.562 56.100 -0.122 0.000 0.975 181 R CB -0.106 30.102 30.300 -0.152 0.000 0.866 181 R HN 0.375 nan 8.270 nan 0.000 0.446 182 E N -0.163 119.984 120.200 -0.087 0.000 2.427 182 E HA -0.106 4.243 4.350 -0.002 0.000 0.196 182 E C 1.633 178.202 176.600 -0.053 0.000 1.028 182 E CA 0.300 56.660 56.400 -0.068 0.000 0.864 182 E CB 0.243 29.901 29.700 -0.069 0.000 0.813 182 E HN 0.201 nan 8.360 nan 0.000 0.514 183 R N -0.293 120.174 120.500 -0.055 0.000 2.200 183 R HA 0.057 4.395 4.340 -0.002 0.000 0.208 183 R C 1.884 178.171 176.300 -0.023 0.000 1.033 183 R CA 0.478 56.556 56.100 -0.036 0.000 1.000 183 R CB 0.247 30.524 30.300 -0.038 0.000 0.906 183 R HN 0.283 nan 8.270 nan 0.000 0.462 184 L N -0.661 120.535 121.223 -0.044 0.000 2.500 184 L HA 0.105 4.444 4.340 -0.002 0.000 0.219 184 L C 1.791 178.640 176.870 -0.036 0.000 1.057 184 L CA 0.197 55.010 54.840 -0.045 0.000 0.854 184 L CB -0.164 41.820 42.059 -0.125 0.000 1.078 184 L HN -0.006 nan 8.230 nan 0.000 0.480 185 E N 1.352 121.527 120.200 -0.043 0.000 2.208 185 E HA -0.305 4.044 4.350 -0.002 0.000 0.202 185 E C 1.678 178.275 176.600 -0.006 0.000 1.014 185 E CA 1.579 57.963 56.400 -0.025 0.000 0.819 185 E CB -0.136 29.546 29.700 -0.031 0.000 0.735 185 E HN 0.489 nan 8.360 nan 0.000 0.469 186 K N 0.249 120.647 120.400 -0.003 0.000 2.305 186 K HA 0.098 4.417 4.320 -0.002 0.000 0.199 186 K C 0.705 177.317 176.600 0.021 0.000 1.047 186 K CA 0.143 56.434 56.287 0.007 0.000 0.976 186 K CB 0.260 32.762 32.500 0.003 0.000 0.765 186 K HN 0.077 nan 8.250 nan 0.000 0.474 187 I N 4.059 124.649 120.570 0.032 0.000 2.664 187 I HA 0.003 4.171 4.170 -0.002 0.000 0.284 187 I C -2.187 173.963 176.117 0.056 0.000 1.154 187 I CA -1.924 59.410 61.300 0.057 0.000 1.402 187 I CB 0.014 38.078 38.000 0.107 0.000 1.395 187 I HN -0.161 nan 8.210 nan 0.000 0.545 188 P HA -0.036 nan 4.420 nan 0.000 0.266 188 P C 0.039 177.373 177.300 0.058 0.000 1.193 188 P CA 0.026 63.153 63.100 0.044 0.000 0.770 188 P CB 0.561 32.283 31.700 0.036 0.000 0.836 189 D N 0.399 120.830 120.400 0.053 0.000 2.178 189 D HA -0.134 4.505 4.640 -0.002 0.000 0.202 189 D C 1.828 178.165 176.300 0.062 0.000 0.974 189 D CA 1.695 55.731 54.000 0.061 0.000 0.841 189 D CB -0.577 40.253 40.800 0.050 0.000 0.953 189 D HN 0.399 nan 8.370 nan 0.000 0.478 190 S N 0.132 115.861 115.700 0.048 0.000 2.402 190 S HA -0.148 4.321 4.470 -0.002 0.000 0.229 190 S C 1.532 176.159 174.600 0.045 0.000 1.021 190 S CA 1.091 59.316 58.200 0.042 0.000 0.974 190 S CB -0.241 62.978 63.200 0.031 0.000 0.800 190 S HN 0.069 nan 8.310 nan 0.000 0.484 191 D N 1.396 121.825 120.400 0.049 0.000 2.123 191 D HA 0.019 4.657 4.640 -0.002 0.000 0.200 191 D C 2.014 178.348 176.300 0.057 0.000 0.976 191 D CA 0.956 54.982 54.000 0.044 0.000 0.831 191 D CB -0.337 40.489 40.800 0.043 0.000 0.974 191 D HN 0.223 nan 8.370 nan 0.000 0.469 192 V N 1.331 121.302 119.914 0.095 0.000 2.218 192 V HA -0.367 3.752 4.120 -0.002 0.000 0.251 192 V C 2.159 178.342 176.094 0.148 0.000 1.057 192 V CA 2.039 64.425 62.300 0.145 0.000 1.022 192 V CB -0.687 31.245 31.823 0.182 0.000 0.645 192 V HN 0.274 nan 8.190 nan 0.000 0.451 193 E N 0.013 120.287 120.200 0.124 0.000 2.082 193 E HA -0.281 4.068 4.350 -0.002 0.000 0.215 193 E C 2.067 178.715 176.600 0.081 0.000 1.048 193 E CA 1.993 58.454 56.400 0.102 0.000 0.869 193 E CB -0.427 29.311 29.700 0.064 0.000 0.773 193 E HN 0.487 nan 8.360 nan 0.000 0.466 194 I N 0.454 121.055 120.570 0.053 0.000 2.670 194 I HA -0.296 3.872 4.170 -0.002 0.000 0.270 194 I C 1.882 178.018 176.117 0.031 0.000 1.165 194 I CA 1.446 62.766 61.300 0.032 0.000 1.450 194 I CB -1.292 36.720 38.000 0.020 0.000 1.134 194 I HN 0.125 nan 8.210 nan 0.000 0.467 195 L N -0.515 120.746 121.223 0.064 0.000 2.546 195 L HA 0.451 4.790 4.340 -0.002 0.000 0.182 195 L C 1.438 178.330 176.870 0.036 0.000 1.167 195 L CA 1.230 56.113 54.840 0.072 0.000 0.845 195 L CB -0.726 41.397 42.059 0.107 0.000 1.134 195 L HN 0.186 nan 8.230 nan 0.000 0.500 196 G N -1.429 107.402 108.800 0.051 0.000 4.152 196 G HA2 0.271 4.229 3.960 -0.002 0.000 0.232 196 G HA3 0.271 4.229 3.960 -0.002 0.000 0.232 196 G C -1.430 173.099 174.900 -0.617 0.000 3.663 196 G CA -0.321 44.618 45.100 -0.268 0.000 0.661 196 G HN -0.018 nan 8.290 nan 0.000 0.251 197 Y N -0.184 120.109 120.300 -0.011 0.000 2.482 197 Y HA 0.535 5.083 4.550 -0.002 0.000 0.334 197 Y C -1.091 174.833 175.900 0.039 0.000 1.091 197 Y CA -1.583 56.530 58.100 0.022 0.000 1.027 197 Y CB 2.269 40.796 38.460 0.111 0.000 1.306 197 Y HN 0.107 nan 8.280 nan 0.000 0.446 198 D N 5.210 125.710 120.400 0.166 0.000 2.467 198 D HA 0.292 4.930 4.640 -0.002 0.000 0.220 198 D C -2.572 173.796 176.300 0.113 0.000 1.103 198 D CA -2.226 51.841 54.000 0.111 0.000 0.886 198 D CB 1.140 41.980 40.800 0.067 0.000 1.025 198 D HN 0.108 nan 8.370 nan 0.000 0.514 199 P HA 0.022 nan 4.420 nan 0.000 0.280 199 P C 0.439 177.776 177.300 0.062 0.000 1.278 199 P CA 0.804 63.959 63.100 0.091 0.000 0.787 199 P CB 0.192 31.944 31.700 0.088 0.000 1.163 200 T N -5.451 109.132 114.554 0.049 0.000 7.578 200 T HA -0.224 4.124 4.350 -0.002 0.000 0.299 200 T C 0.599 175.313 174.700 0.022 0.000 2.097 200 T CA 2.088 64.207 62.100 0.032 0.000 3.248 200 T CB -3.264 65.621 68.868 0.028 0.000 2.014 200 T HN 0.830 nan 8.240 nan 0.000 1.198 201 T N -4.126 110.447 114.554 0.032 0.000 3.231 201 T HA 0.492 4.840 4.350 -0.002 0.000 0.269 201 T C 0.156 174.879 174.700 0.037 0.000 0.849 201 T CA 0.723 62.838 62.100 0.025 0.000 0.837 201 T CB 0.662 69.553 68.868 0.039 0.000 1.254 201 T HN 1.288 nan 8.240 nan 0.000 0.640 202 S N 1.892 117.628 115.700 0.059 0.000 2.614 202 S HA 0.576 5.045 4.470 -0.002 0.000 0.259 202 S C -1.480 173.172 174.600 0.087 0.000 1.118 202 S CA -0.812 57.435 58.200 0.078 0.000 1.065 202 S CB 0.700 63.966 63.200 0.110 0.000 1.121 202 S HN 0.701 nan 8.310 nan 0.000 0.458 203 R N 4.663 125.203 120.500 0.066 0.000 2.621 203 R HA 0.544 4.883 4.340 -0.002 0.000 0.292 203 R C -2.748 173.514 176.300 -0.064 0.000 0.969 203 R CA -1.866 54.253 56.100 0.031 0.000 0.887 203 R CB 0.929 31.267 30.300 0.064 0.000 1.180 203 R HN 0.318 nan 8.270 nan 0.000 0.450 204 P HA -0.078 nan 4.420 nan 0.000 0.230 204 P C 0.209 177.367 177.300 -0.237 0.000 1.158 204 P CA 0.902 63.671 63.100 -0.552 0.000 0.769 204 P CB 0.420 31.568 31.700 -0.920 0.000 0.807 205 E N -1.658 118.491 120.200 -0.086 0.000 2.208 205 E HA -0.126 4.222 4.350 -0.002 0.000 0.193 205 E C 1.660 178.265 176.600 0.009 0.000 0.988 205 E CA 0.873 57.256 56.400 -0.027 0.000 0.828 205 E CB -0.339 29.376 29.700 0.025 0.000 0.763 205 E HN 0.357 nan 8.360 nan 0.000 0.478 206 W N 0.042 121.304 121.300 -0.064 0.000 2.777 206 W HA 0.187 4.845 4.660 -0.002 0.000 0.260 206 W C 1.543 178.064 176.519 0.002 0.000 1.194 206 W CA 0.051 57.388 57.345 -0.015 0.000 1.447 206 W CB 0.275 29.743 29.460 0.013 0.000 1.009 206 W HN -0.136 nan 8.180 nan 0.000 0.613 207 M N 0.709 120.489 119.600 0.299 0.000 2.494 207 M HA -0.230 4.248 4.480 -0.002 0.000 0.253 207 M C -0.259 176.070 176.300 0.048 0.000 1.103 207 M CA 1.217 56.666 55.300 0.249 0.000 1.021 207 M CB -0.844 31.789 32.600 0.056 0.000 1.374 207 M HN -0.151 nan 8.290 nan 0.000 0.444 208 I N 1.059 121.500 120.570 -0.215 0.000 2.313 208 I HA 0.167 4.336 4.170 -0.002 0.000 0.286 208 I C -0.131 175.654 176.117 -0.553 0.000 1.091 208 I CA -0.401 60.739 61.300 -0.267 0.000 1.216 208 I CB 0.325 38.191 38.000 -0.222 0.000 1.434 208 I HN 0.060 nan 8.210 nan 0.000 0.487 209 L N 6.055 126.985 121.223 -0.487 0.000 2.877 209 L HA -0.170 4.168 4.340 -0.002 0.000 0.287 209 L C 1.125 177.733 176.870 -0.437 0.000 1.112 209 L CA 0.570 55.082 54.840 -0.547 0.000 0.986 209 L CB -0.625 41.382 42.059 -0.086 0.000 1.384 209 L HN 0.669 nan 8.230 nan 0.000 0.460 210 T N 1.384 115.606 114.554 -0.555 0.000 3.034 210 T HA 0.138 4.487 4.350 -0.002 0.000 0.248 210 T C 0.478 175.168 174.700 -0.017 0.000 1.040 210 T CA 0.222 62.174 62.100 -0.247 0.000 1.107 210 T CB 0.562 69.271 68.868 -0.265 0.000 0.932 210 T HN 0.278 nan 8.240 nan 0.000 0.474 211 V N 3.007 123.005 119.914 0.140 0.000 2.398 211 V HA 0.456 4.575 4.120 -0.002 0.000 0.282 211 V C -1.006 175.299 176.094 0.352 0.000 1.014 211 V CA -1.097 61.359 62.300 0.260 0.000 0.838 211 V CB 1.640 33.652 31.823 0.315 0.000 1.018 211 V HN 0.219 nan 8.190 nan 0.000 0.432 212 L N 9.263 130.632 121.223 0.244 0.000 2.313 212 L HA 0.585 4.924 4.340 -0.002 0.000 0.282 212 L C -2.081 174.915 176.870 0.210 0.000 1.092 212 L CA -1.212 53.776 54.840 0.247 0.000 0.831 212 L CB 0.926 43.054 42.059 0.115 0.000 1.159 212 L HN 0.377 nan 8.230 nan 0.000 0.442 213 P HA 0.104 nan 4.420 nan 0.000 0.282 213 P C -1.069 176.312 177.300 0.135 0.000 1.249 213 P CA -0.336 62.910 63.100 0.243 0.000 0.806 213 P CB 1.522 33.418 31.700 0.326 0.000 0.984 214 V N 5.118 125.091 119.914 0.098 0.000 2.259 214 V HA 0.190 4.309 4.120 -0.002 0.000 0.267 214 V C -1.757 174.237 176.094 -0.167 0.000 1.051 214 V CA -1.915 60.381 62.300 -0.007 0.000 0.830 214 V CB 0.609 32.430 31.823 -0.004 0.000 1.080 214 V HN 0.576 nan 8.190 nan 0.000 0.467 215 P HA 0.123 nan 4.420 nan 0.000 0.267 215 P C -2.293 174.733 177.300 -0.457 0.000 1.200 215 P CA -0.841 61.759 63.100 -0.834 0.000 0.772 215 P CB 0.139 31.491 31.700 -0.580 0.000 0.855 216 P HA -0.082 nan 4.420 nan 0.000 0.276 216 P C 1.005 178.214 177.300 -0.152 0.000 1.286 216 P CA 0.324 63.290 63.100 -0.222 0.000 0.883 216 P CB 0.441 32.026 31.700 -0.193 0.000 1.125 217 I N -1.452 119.050 120.570 -0.113 0.000 3.265 217 I HA -0.049 4.120 4.170 -0.002 0.000 0.282 217 I C 2.120 178.191 176.117 -0.077 0.000 1.207 217 I CA 1.049 62.302 61.300 -0.078 0.000 1.449 217 I CB -2.003 35.963 38.000 -0.057 0.000 1.121 217 I HN 0.228 nan 8.210 nan 0.000 0.442 218 T N 3.213 117.714 114.554 -0.089 0.000 3.026 218 T HA -0.068 4.280 4.350 -0.002 0.000 0.271 218 T C 1.448 176.110 174.700 -0.063 0.000 1.149 218 T CA 0.925 62.983 62.100 -0.070 0.000 1.088 218 T CB -0.221 68.605 68.868 -0.069 0.000 0.857 218 T HN 0.317 nan 8.240 nan 0.000 0.551 219 I N -0.678 119.845 120.570 -0.079 0.000 3.658 219 I HA 0.423 4.591 4.170 -0.002 0.000 0.328 219 I C 0.251 176.321 176.117 -0.077 0.000 1.567 219 I CA -0.490 60.764 61.300 -0.075 0.000 1.078 219 I CB -0.523 37.424 38.000 -0.087 0.000 1.267 219 I HN 0.238 nan 8.210 nan 0.000 0.495 220 R N 0.885 121.343 120.500 -0.070 0.000 2.455 220 R HA 0.351 4.689 4.340 -0.002 0.000 0.256 220 R C -3.166 173.099 176.300 -0.059 0.000 0.804 220 R CA -0.507 55.553 56.100 -0.067 0.000 0.986 220 R CB -0.556 29.707 30.300 -0.061 0.000 1.350 220 R HN 0.101 nan 8.270 nan 0.000 0.632 221 P HA 0.250 nan 4.420 nan 0.000 0.279 221 P C -0.444 176.831 177.300 -0.043 0.000 1.282 221 P CA -0.177 62.898 63.100 -0.041 0.000 0.788 221 P CB 1.717 33.395 31.700 -0.036 0.000 1.139 233 D N 0.298 120.543 120.400 -0.257 0.000 2.348 233 D HA 0.134 4.772 4.640 -0.002 0.000 0.253 233 D C 0.389 176.433 176.300 -0.427 0.000 1.161 233 D CA 0.289 54.124 54.000 -0.276 0.000 0.876 233 D CB 0.741 41.455 40.800 -0.143 0.000 1.160 233 D HN 0.356 nan 8.370 nan 0.000 0.459 234 D N 3.285 123.441 120.400 -0.407 0.000 2.123 234 D HA -0.167 4.471 4.640 -0.002 0.000 0.196 234 D C 1.824 178.062 176.300 -0.104 0.000 0.992 234 D CA 0.882 54.698 54.000 -0.306 0.000 0.833 234 D CB 0.107 40.816 40.800 -0.152 0.000 0.954 234 D HN 0.518 nan 8.370 nan 0.000 0.455 235 L N 0.701 121.867 121.223 -0.095 0.000 2.661 235 L HA -0.126 4.212 4.340 -0.002 0.000 0.236 235 L C 1.890 178.783 176.870 0.040 0.000 1.176 235 L CA 0.674 55.482 54.840 -0.053 0.000 0.836 235 L CB -0.403 41.603 42.059 -0.088 0.000 0.960 235 L HN 0.017 nan 8.230 nan 0.000 0.455 236 T N -3.708 110.863 114.554 0.028 0.000 3.075 236 T HA 0.047 4.395 4.350 -0.002 0.000 0.251 236 T C 1.590 176.404 174.700 0.191 0.000 0.979 236 T CA -0.151 62.008 62.100 0.097 0.000 1.033 236 T CB 0.068 68.963 68.868 0.046 0.000 1.104 236 T HN 0.324 nan 8.240 nan 0.000 0.473 237 H N 2.468 121.558 119.070 0.035 0.000 2.257 237 H HA -0.178 4.376 4.556 -0.002 0.000 0.292 237 H C 2.275 177.673 175.328 0.116 0.000 1.075 237 H CA 1.822 57.893 56.048 0.039 0.000 1.212 237 H CB 0.035 29.767 29.762 -0.050 0.000 1.354 237 H HN 0.308 nan 8.280 nan 0.000 0.497 238 K N 1.013 121.607 120.400 0.324 0.000 2.360 238 K HA -0.110 4.209 4.320 -0.002 0.000 0.201 238 K C 2.032 178.768 176.600 0.227 0.000 1.046 238 K CA 1.197 57.659 56.287 0.292 0.000 0.940 238 K CB -0.234 32.471 32.500 0.341 0.000 0.748 238 K HN 0.251 nan 8.250 nan 0.000 0.465 239 L N 0.709 122.070 121.223 0.231 0.000 2.141 239 L HA -0.129 4.209 4.340 -0.002 0.000 0.209 239 L C 2.045 178.928 176.870 0.023 0.000 1.094 239 L CA 0.761 55.662 54.840 0.101 0.000 0.763 239 L CB 0.042 42.192 42.059 0.152 0.000 0.908 239 L HN 0.072 nan 8.230 nan 0.000 0.437 240 V N -0.524 119.425 119.914 0.058 0.000 2.453 240 V HA -0.225 3.893 4.120 -0.002 0.000 0.247 240 V C 1.898 177.972 176.094 -0.034 0.000 1.048 240 V CA 1.665 63.971 62.300 0.010 0.000 1.049 240 V CB -0.529 31.309 31.823 0.024 0.000 0.672 240 V HN 0.460 nan 8.190 nan 0.000 0.457 241 D N 0.114 120.498 120.400 -0.026 0.000 2.219 241 D HA -0.083 4.556 4.640 -0.002 0.000 0.205 241 D C 2.059 178.210 176.300 -0.248 0.000 0.970 241 D CA 1.076 54.981 54.000 -0.158 0.000 0.851 241 D CB -0.066 40.648 40.800 -0.144 0.000 0.943 241 D HN 0.387 nan 8.370 nan 0.000 0.488 242 I N 0.481 120.978 120.570 -0.121 0.000 2.202 242 I HA -0.214 3.954 4.170 -0.002 0.000 0.242 242 I C 2.353 178.401 176.117 -0.115 0.000 1.091 242 I CA 0.691 61.928 61.300 -0.105 0.000 1.368 242 I CB -0.151 37.799 38.000 -0.083 0.000 1.058 242 I HN -0.107 nan 8.210 nan 0.000 0.410 243 V N 0.599 120.453 119.914 -0.099 0.000 2.427 243 V HA -0.245 3.873 4.120 -0.002 0.000 0.248 243 V C 2.568 178.602 176.094 -0.101 0.000 1.051 243 V CA 1.630 63.877 62.300 -0.089 0.000 1.048 243 V CB -0.779 31.000 31.823 -0.072 0.000 0.666 243 V HN 0.355 nan 8.190 nan 0.000 0.456 244 R N -0.292 120.140 120.500 -0.114 0.000 2.091 244 R HA -0.112 4.227 4.340 -0.002 0.000 0.238 244 R C 2.116 178.332 176.300 -0.140 0.000 1.136 244 R CA 1.706 57.734 56.100 -0.118 0.000 0.959 244 R CB -0.242 29.983 30.300 -0.125 0.000 0.856 244 R HN 0.474 nan 8.270 nan 0.000 0.437 245 I N 0.453 120.918 120.570 -0.175 0.000 3.059 245 I HA -0.136 4.033 4.170 -0.002 0.000 0.270 245 I C 1.545 177.555 176.117 -0.179 0.000 1.238 245 I CA 0.354 61.546 61.300 -0.181 0.000 1.478 245 I CB -0.223 37.661 38.000 -0.194 0.000 1.097 245 I HN 0.168 nan 8.210 nan 0.000 0.455 246 N N 1.101 119.717 118.700 -0.140 0.000 2.207 246 N HA -0.170 4.569 4.740 -0.002 0.000 0.182 246 N C 1.740 177.174 175.510 -0.127 0.000 1.020 246 N CA 1.045 54.023 53.050 -0.120 0.000 0.858 246 N CB 0.016 38.461 38.487 -0.071 0.000 0.991 246 N HN 0.409 nan 8.380 nan 0.000 0.427 247 E N 1.012 121.146 120.200 -0.110 0.000 2.418 247 E HA -0.042 4.307 4.350 -0.002 0.000 0.197 247 E C 1.330 177.860 176.600 -0.116 0.000 1.026 247 E CA 0.343 56.687 56.400 -0.094 0.000 0.862 247 E CB 0.217 29.871 29.700 -0.076 0.000 0.799 247 E HN 0.246 nan 8.360 nan 0.000 0.518 248 R N -0.413 119.993 120.500 -0.157 0.000 2.246 248 R HA 0.095 4.434 4.340 -0.002 0.000 0.199 248 R C 2.003 178.153 176.300 -0.249 0.000 0.984 248 R CA 0.249 56.244 56.100 -0.175 0.000 1.015 248 R CB 0.222 30.415 30.300 -0.178 0.000 0.930 248 R HN 0.225 nan 8.270 nan 0.000 0.475 249 L N 0.114 121.136 121.223 -0.335 0.000 2.375 249 L HA 0.020 4.358 4.340 -0.002 0.000 0.215 249 L C 1.860 178.600 176.870 -0.216 0.000 1.108 249 L CA 0.860 55.393 54.840 -0.512 0.000 0.830 249 L CB -0.042 41.438 42.059 -0.964 0.000 0.959 249 L HN 0.033 nan 8.230 nan 0.000 0.457 250 K N 0.272 120.600 120.400 -0.120 0.000 2.167 250 K HA -0.087 4.231 4.320 -0.002 0.000 0.203 250 K C 1.728 178.305 176.600 -0.037 0.000 1.052 250 K CA 0.937 57.203 56.287 -0.036 0.000 0.956 250 K CB 0.119 32.604 32.500 -0.026 0.000 0.735 250 K HN 0.349 nan 8.250 nan 0.000 0.451 251 E N 0.322 120.481 120.200 -0.068 0.000 2.230 251 E HA -0.086 4.263 4.350 -0.002 0.000 0.192 251 E C 1.927 178.497 176.600 -0.050 0.000 0.987 251 E CA 1.179 57.547 56.400 -0.053 0.000 0.841 251 E CB 0.225 29.888 29.700 -0.062 0.000 0.783 251 E HN 0.251 nan 8.360 nan 0.000 0.481 252 S N 0.271 115.925 115.700 -0.078 0.000 2.458 252 S HA 0.078 4.547 4.470 -0.002 0.000 0.223 252 S C 1.926 176.529 174.600 0.005 0.000 1.019 252 S CA 0.057 58.223 58.200 -0.057 0.000 0.937 252 S CB 0.019 63.149 63.200 -0.116 0.000 0.788 252 S HN 0.122 nan 8.310 nan 0.000 0.511 253 I N 1.564 122.155 120.570 0.036 0.000 3.030 253 I HA 0.061 4.229 4.170 -0.002 0.000 0.270 253 I C 0.532 176.688 176.117 0.065 0.000 1.211 253 I CA 0.678 62.041 61.300 0.105 0.000 1.479 253 I CB 0.050 38.180 38.000 0.217 0.000 1.105 253 I HN 0.236 nan 8.210 nan 0.000 0.447 254 D N 1.505 121.928 120.400 0.038 0.000 2.538 254 D HA 0.334 4.972 4.640 -0.002 0.000 0.234 254 D C 0.514 176.824 176.300 0.017 0.000 1.191 254 D CA 0.275 54.291 54.000 0.027 0.000 0.828 254 D CB 0.759 41.571 40.800 0.020 0.000 0.981 254 D HN 0.330 nan 8.370 nan 0.000 0.490 255 A N -0.491 122.340 122.820 0.018 0.000 3.289 255 A HA 0.469 4.787 4.320 -0.002 0.000 0.115 255 A C 0.480 178.072 177.584 0.014 0.000 1.427 255 A CA -0.024 52.020 52.037 0.011 0.000 2.606 255 A CB -0.348 18.654 19.000 0.003 0.000 2.953 255 A HN 0.064 nan 8.150 nan 0.000 1.262 256 G N 1.088 109.893 108.800 0.008 0.000 2.916 256 G HA2 0.571 4.529 3.960 -0.002 0.000 0.280 256 G HA3 0.571 4.529 3.960 -0.002 0.000 0.280 256 G C 0.180 175.089 174.900 0.015 0.000 0.758 256 G CA 0.830 45.935 45.100 0.010 0.000 1.993 256 G HN 1.529 nan 8.290 nan 0.000 0.564 257 A N 3.645 126.482 122.820 0.027 0.000 2.506 257 A HA 0.588 4.907 4.320 -0.002 0.000 0.320 257 A C -2.081 175.532 177.584 0.048 0.000 1.424 257 A CA -1.322 50.741 52.037 0.044 0.000 1.044 257 A CB 0.515 19.558 19.000 0.072 0.000 1.140 257 A HN 0.340 nan 8.150 nan 0.000 0.538 258 P HA 0.087 nan 4.420 nan 0.000 0.244 258 P C 0.645 177.982 177.300 0.062 0.000 1.769 258 P CA -0.169 62.954 63.100 0.040 0.000 1.102 258 P CB 0.171 31.888 31.700 0.027 0.000 1.937 259 Q N 1.233 121.076 119.800 0.073 0.000 2.633 259 Q HA -0.085 4.253 4.340 -0.002 0.000 0.214 259 Q C 0.349 176.395 176.000 0.077 0.000 0.951 259 Q CA 0.990 56.851 55.803 0.097 0.000 1.017 259 Q CB -0.482 28.298 28.738 0.070 0.000 1.014 259 Q HN 0.454 nan 8.270 nan 0.000 0.591 260 L N -0.830 120.431 121.223 0.063 0.000 2.817 260 L HA 0.271 4.610 4.340 -0.002 0.000 0.248 260 L C 0.944 177.847 176.870 0.055 0.000 1.133 260 L CA 0.002 54.872 54.840 0.050 0.000 0.935 260 L CB 0.638 42.717 42.059 0.032 0.000 1.266 260 L HN 0.239 nan 8.230 nan 0.000 0.535 261 I N -1.400 119.207 120.570 0.062 0.000 4.338 261 I HA 0.058 4.226 4.170 -0.002 0.000 0.329 261 I C 1.650 177.804 176.117 0.062 0.000 1.378 261 I CA 0.306 61.637 61.300 0.051 0.000 1.170 261 I CB 1.058 39.075 38.000 0.029 0.000 1.206 261 I HN 0.013 nan 8.210 nan 0.000 0.432 262 I N 1.171 121.808 120.570 0.111 0.000 2.500 262 I HA -0.147 4.021 4.170 -0.002 0.000 0.252 262 I C 2.026 178.315 176.117 0.288 0.000 1.142 262 I CA 1.273 62.666 61.300 0.154 0.000 1.451 262 I CB 0.230 38.434 38.000 0.340 0.000 1.093 262 I HN 0.230 nan 8.210 nan 0.000 0.430 263 E N 0.626 121.008 120.200 0.304 0.000 2.267 263 E HA -0.267 4.082 4.350 -0.002 0.000 0.197 263 E C 1.285 178.011 176.600 0.210 0.000 0.998 263 E CA 1.559 58.142 56.400 0.304 0.000 0.830 263 E CB -0.140 29.650 29.700 0.150 0.000 0.751 263 E HN 0.646 nan 8.360 nan 0.000 0.491 264 D N 0.707 121.183 120.400 0.128 0.000 2.084 264 D HA -0.111 4.527 4.640 -0.002 0.000 0.196 264 D C 1.942 178.282 176.300 0.066 0.000 0.985 264 D CA 0.830 54.887 54.000 0.094 0.000 0.826 264 D CB -0.034 40.800 40.800 0.058 0.000 0.978 264 D HN 0.057 nan 8.370 nan 0.000 0.456 265 L N -0.481 120.715 121.223 -0.044 0.000 2.017 265 L HA -0.132 4.207 4.340 -0.002 0.000 0.208 265 L C 2.187 178.980 176.870 -0.129 0.000 1.073 265 L CA 1.149 55.897 54.840 -0.152 0.000 0.745 265 L CB -0.565 41.279 42.059 -0.357 0.000 0.894 265 L HN 0.269 nan 8.230 nan 0.000 0.432 266 W N 0.702 121.991 121.300 -0.019 0.000 2.321 266 W HA -0.234 4.425 4.660 -0.002 0.000 0.306 266 W C 2.247 178.711 176.519 -0.091 0.000 1.217 266 W CA 0.735 58.049 57.345 -0.051 0.000 1.257 266 W CB -0.415 29.011 29.460 -0.057 0.000 1.145 266 W HN 0.194 nan 8.180 nan 0.000 0.509 267 D N -0.146 120.324 120.400 0.116 0.000 2.269 267 D HA -0.090 4.548 4.640 -0.002 0.000 0.208 267 D C 2.218 178.399 176.300 -0.199 0.000 0.963 267 D CA 0.906 54.814 54.000 -0.153 0.000 0.864 267 D CB -0.601 40.109 40.800 -0.150 0.000 0.936 267 D HN 0.192 nan 8.370 nan 0.000 0.505 268 L N 0.255 121.537 121.223 0.099 0.000 2.046 268 L HA -0.126 4.213 4.340 -0.002 0.000 0.208 268 L C 2.353 179.395 176.870 0.286 0.000 1.077 268 L CA 0.727 55.750 54.840 0.305 0.000 0.747 268 L CB -0.293 41.929 42.059 0.271 0.000 0.896 268 L HN 0.068 nan 8.230 nan 0.000 0.432 269 L N -0.858 120.433 121.223 0.114 0.000 2.187 269 L HA -0.249 4.089 4.340 -0.002 0.000 0.213 269 L C 2.438 179.319 176.870 0.019 0.000 1.100 269 L CA 1.193 56.079 54.840 0.077 0.000 0.765 269 L CB -0.446 41.640 42.059 0.046 0.000 0.904 269 L HN 0.402 nan 8.230 nan 0.000 0.437 270 Q N -1.360 118.382 119.800 -0.096 0.000 2.269 270 Q HA -0.089 4.249 4.340 -0.002 0.000 0.201 270 Q C 1.722 177.629 176.000 -0.155 0.000 0.946 270 Q CA 0.999 56.683 55.803 -0.198 0.000 0.877 270 Q CB 0.163 28.690 28.738 -0.351 0.000 0.963 270 Q HN 0.580 nan 8.270 nan 0.000 0.472 271 Y N -1.696 118.599 120.300 -0.008 0.000 2.500 271 Y HA 0.020 4.569 4.550 -0.002 0.000 0.270 271 Y C 1.945 177.728 175.900 -0.195 0.000 1.134 271 Y CA 0.088 58.127 58.100 -0.102 0.000 1.293 271 Y CB 0.510 38.883 38.460 -0.145 0.000 1.063 271 Y HN 0.218 nan 8.280 nan 0.000 0.534 272 H N -1.859 117.290 119.070 0.132 0.000 2.422 272 H HA 0.026 4.581 4.556 -0.002 0.000 0.303 272 H C 2.303 177.681 175.328 0.084 0.000 1.033 272 H CA 0.991 57.102 56.048 0.105 0.000 1.335 272 H CB -0.065 29.744 29.762 0.078 0.000 1.458 272 H HN 0.089 nan 8.280 nan 0.000 0.556 273 V N 1.693 121.683 119.914 0.126 0.000 2.469 273 V HA -0.223 3.895 4.120 -0.002 0.000 0.251 273 V C 2.688 178.685 176.094 -0.162 0.000 1.064 273 V CA 1.655 63.950 62.300 -0.009 0.000 1.066 273 V CB -0.885 30.853 31.823 -0.142 0.000 0.667 273 V HN 0.420 nan 8.190 nan 0.000 0.461 274 A N -0.984 121.754 122.820 -0.137 0.000 2.066 274 A HA -0.141 4.178 4.320 -0.002 0.000 0.218 274 A C 2.364 179.959 177.584 0.019 0.000 1.157 274 A CA 1.967 53.913 52.037 -0.153 0.000 0.670 274 A CB -0.602 18.363 19.000 -0.060 0.000 0.804 274 A HN 0.473 nan 8.150 nan 0.000 0.453 275 T N -1.780 112.830 114.554 0.094 0.000 2.812 275 T HA -0.108 4.240 4.350 -0.002 0.000 0.264 275 T C 1.718 176.556 174.700 0.231 0.000 1.042 275 T CA 1.440 63.622 62.100 0.137 0.000 1.140 275 T CB -0.399 68.544 68.868 0.125 0.000 0.870 275 T HN 0.571 nan 8.240 nan 0.000 0.445 276 Y N 0.814 121.224 120.300 0.183 0.000 2.298 276 Y HA -0.202 4.347 4.550 -0.002 0.000 0.287 276 Y C 1.450 177.635 175.900 0.475 0.000 1.164 276 Y CA 1.284 59.568 58.100 0.307 0.000 1.229 276 Y CB -0.245 38.434 38.460 0.366 0.000 0.977 276 Y HN 0.186 nan 8.280 nan 0.000 0.538 277 F N -1.003 118.971 119.950 0.040 0.000 2.315 277 F HA 0.180 4.706 4.527 -0.002 0.000 0.284 277 F C 0.781 176.572 175.800 -0.015 0.000 1.049 277 F CA 0.162 58.138 58.000 -0.041 0.000 1.323 277 F CB -0.548 38.442 39.000 -0.017 0.000 1.113 277 F HN -0.211 nan 8.300 nan 0.000 0.544 278 D N -0.761 119.780 120.400 0.235 0.000 2.457 278 D HA 0.196 4.834 4.640 -0.002 0.000 0.240 278 D C -0.248 176.113 176.300 0.101 0.000 1.041 278 D CA -0.052 54.031 54.000 0.139 0.000 0.861 278 D CB 2.046 42.925 40.800 0.132 0.000 1.394 278 D HN -0.095 nan 8.370 nan 0.000 0.473 279 N N 0.370 119.114 118.700 0.074 0.000 2.166 279 N HA -0.020 4.718 4.740 -0.002 0.000 0.213 279 N C 0.076 175.612 175.510 0.044 0.000 1.222 279 N CA 0.128 53.214 53.050 0.060 0.000 0.900 279 N CB 0.627 39.148 38.487 0.056 0.000 1.055 279 N HN 0.209 nan 8.380 nan 0.000 0.515 280 E N 0.691 120.918 120.200 0.046 0.000 2.419 280 E HA 0.107 4.455 4.350 -0.002 0.000 0.190 280 E C -0.019 176.601 176.600 0.034 0.000 1.040 280 E CA -0.245 56.176 56.400 0.035 0.000 0.900 280 E CB 0.231 29.952 29.700 0.035 0.000 1.054 280 E HN 0.320 nan 8.360 nan 0.000 0.462 281 I N 3.273 123.868 120.570 0.041 0.000 3.197 281 I HA -0.139 4.030 4.170 -0.002 0.000 0.293 281 I C -1.165 174.967 176.117 0.026 0.000 1.227 281 I CA -0.376 60.947 61.300 0.040 0.000 1.369 281 I CB -0.799 37.227 38.000 0.043 0.000 1.441 281 I HN -0.150 nan 8.210 nan 0.000 0.539 282 P HA -0.241 nan 4.420 nan 0.000 0.214 282 P C 1.060 178.365 177.300 0.008 0.000 0.989 282 P CA 1.768 64.875 63.100 0.012 0.000 1.008 282 P CB -0.062 31.643 31.700 0.010 0.000 0.747 283 G N -1.095 107.712 108.800 0.011 0.000 2.939 283 G HA2 -0.153 3.805 3.960 -0.002 0.000 0.257 283 G HA3 -0.153 3.805 3.960 -0.002 0.000 0.257 283 G C 1.031 175.927 174.900 -0.005 0.000 1.259 283 G CA -0.314 44.790 45.100 0.006 0.000 0.928 283 G HN 0.272 nan 8.290 nan 0.000 0.615 284 L N 1.082 122.296 121.223 -0.016 0.000 2.447 284 L HA -0.009 4.330 4.340 -0.002 0.000 0.225 284 L C -0.778 176.062 176.870 -0.050 0.000 1.148 284 L CA 0.112 54.934 54.840 -0.031 0.000 0.808 284 L CB -1.137 40.900 42.059 -0.037 0.000 0.928 284 L HN 0.344 nan 8.230 nan 0.000 0.448 285 P HA 0.011 nan 4.420 nan 0.000 0.253 285 P C -2.427 174.836 177.300 -0.062 0.000 1.170 285 P CA -0.352 62.696 63.100 -0.087 0.000 0.806 285 P CB -0.093 31.580 31.700 -0.046 0.000 0.775 286 P HA 0.450 nan 4.420 nan 0.000 0.307 286 P C -0.823 176.446 177.300 -0.052 0.000 1.307 286 P CA -0.809 62.261 63.100 -0.050 0.000 0.814 286 P CB 0.952 32.622 31.700 -0.050 0.000 1.311 287 S N -3.018 112.670 115.700 -0.020 0.000 3.033 287 S HA 0.209 4.678 4.470 -0.002 0.000 0.138 287 S C -0.563 174.066 174.600 0.049 0.000 0.720 287 S CA -0.977 57.223 58.200 0.001 0.000 0.812 287 S CB -1.011 62.193 63.200 0.006 0.000 1.509 287 S HN 0.282 nan 8.310 nan 0.000 0.561 288 K N 1.132 121.554 120.400 0.037 0.000 2.526 288 K HA 0.610 4.929 4.320 -0.002 0.000 0.256 288 K C -0.459 176.200 176.600 0.098 0.000 1.035 288 K CA -0.914 55.417 56.287 0.073 0.000 1.011 288 K CB 0.577 33.103 32.500 0.043 0.000 1.343 288 K HN 0.584 nan 8.250 nan 0.000 0.510 289 H N -0.287 118.818 119.070 0.058 0.000 2.980 289 H HA 0.100 4.654 4.556 -0.002 0.000 0.367 289 H C 0.380 175.738 175.328 0.050 0.000 1.206 289 H CA -0.473 55.617 56.048 0.070 0.000 1.126 289 H CB 1.704 31.546 29.762 0.134 0.000 1.838 289 H HN 0.517 nan 8.280 nan 0.000 0.552 290 R N 0.265 120.854 120.500 0.148 0.000 2.227 290 R HA -0.243 4.096 4.340 -0.002 0.000 0.246 290 R C 1.853 178.217 176.300 0.108 0.000 1.119 290 R CA 2.371 58.540 56.100 0.115 0.000 0.930 290 R CB -1.519 28.869 30.300 0.146 0.000 0.912 290 R HN 0.356 nan 8.270 nan 0.000 0.435 291 S N -0.467 115.316 115.700 0.138 0.000 2.488 291 S HA -0.063 4.405 4.470 -0.002 0.000 0.246 291 S C 1.518 176.158 174.600 0.067 0.000 0.992 291 S CA 1.804 60.056 58.200 0.087 0.000 0.963 291 S CB -0.874 62.374 63.200 0.081 0.000 0.754 291 S HN 0.918 nan 8.310 nan 0.000 0.519 292 G N 0.225 109.072 108.800 0.078 0.000 2.345 292 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.218 292 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.218 292 G C 0.049 174.983 174.900 0.057 0.000 1.058 292 G CA -0.032 45.100 45.100 0.054 0.000 0.632 292 G HN 0.558 nan 8.290 nan 0.000 0.508 293 R N 1.914 122.451 120.500 0.061 0.000 2.538 293 R HA 0.419 4.758 4.340 -0.002 0.000 0.282 293 R C -2.484 173.858 176.300 0.070 0.000 1.009 293 R CA -0.739 55.392 56.100 0.052 0.000 1.063 293 R CB 0.109 30.432 30.300 0.039 0.000 0.945 293 R HN 0.197 nan 8.270 nan 0.000 0.414 294 P HA 0.054 nan 4.420 nan 0.000 0.260 294 P C -0.495 176.843 177.300 0.063 0.000 1.651 294 P CA -0.185 62.949 63.100 0.058 0.000 1.139 294 P CB 0.262 31.985 31.700 0.037 0.000 1.756 295 L N 2.116 123.395 121.223 0.093 0.000 4.393 295 L HA -0.261 4.078 4.340 -0.002 0.000 0.539 295 L C 0.610 177.503 176.870 0.038 0.000 1.009 295 L CA 0.475 55.362 54.840 0.080 0.000 0.545 295 L CB -0.410 41.728 42.059 0.132 0.000 0.724 295 L HN 0.332 nan 8.230 nan 0.000 1.058 296 R N 2.180 122.682 120.500 0.004 0.000 2.309 296 R HA 0.240 4.578 4.340 -0.002 0.000 0.331 296 R C 0.441 176.731 176.300 -0.017 0.000 1.116 296 R CA -0.083 56.013 56.100 -0.008 0.000 0.970 296 R CB 0.397 30.681 30.300 -0.025 0.000 1.024 296 R HN 0.591 nan 8.270 nan 0.000 0.472 297 T N -0.280 114.272 114.554 -0.003 0.000 2.895 297 T HA 0.290 4.638 4.350 -0.002 0.000 0.283 297 T C 1.355 176.022 174.700 -0.054 0.000 1.014 297 T CA -0.978 61.108 62.100 -0.023 0.000 1.037 297 T CB 1.059 69.941 68.868 0.023 0.000 1.006 297 T HN 0.525 nan 8.240 nan 0.000 0.468 298 L N 2.305 123.442 121.223 -0.144 0.000 2.352 298 L HA -0.390 3.949 4.340 -0.002 0.000 0.247 298 L C 2.814 179.651 176.870 -0.055 0.000 1.123 298 L CA 2.781 57.523 54.840 -0.163 0.000 0.824 298 L CB -1.290 40.581 42.059 -0.314 0.000 0.987 298 L HN 1.024 nan 8.230 nan 0.000 0.426 299 A N -1.406 121.411 122.820 -0.006 0.000 1.903 299 A HA -0.364 3.955 4.320 -0.002 0.000 0.219 299 A C 1.958 179.568 177.584 0.042 0.000 1.191 299 A CA 2.342 54.406 52.037 0.046 0.000 0.638 299 A CB -0.824 18.229 19.000 0.089 0.000 0.823 299 A HN 0.752 nan 8.150 nan 0.000 0.451 300 Q N -0.296 119.523 119.800 0.031 0.000 2.197 300 Q HA -0.142 4.196 4.340 -0.002 0.000 0.207 300 Q C 1.131 177.146 176.000 0.024 0.000 0.984 300 Q CA 1.125 56.945 55.803 0.028 0.000 0.869 300 Q CB -0.201 28.549 28.738 0.022 0.000 0.906 300 Q HN 0.432 nan 8.270 nan 0.000 0.426 301 R N -0.019 120.488 120.500 0.011 0.000 2.459 301 R HA 0.228 4.567 4.340 -0.002 0.000 0.281 301 R C 0.701 177.028 176.300 0.044 0.000 1.050 301 R CA 0.325 56.430 56.100 0.008 0.000 1.055 301 R CB 0.376 30.661 30.300 -0.026 0.000 1.045 301 R HN 0.542 nan 8.270 nan 0.000 0.495 302 L N -0.088 121.173 121.223 0.064 0.000 5.044 302 L HA -0.279 4.060 4.340 -0.002 0.000 0.412 302 L C 0.489 177.495 176.870 0.226 0.000 0.971 302 L CA 1.579 56.512 54.840 0.154 0.000 1.411 302 L CB -1.312 40.857 42.059 0.184 0.000 1.884 302 L HN 0.543 nan 8.230 nan 0.000 0.631 303 K N 1.100 121.574 120.400 0.124 0.000 1.983 303 K HA 0.234 4.552 4.320 -0.002 0.000 0.225 303 K C 1.252 177.902 176.600 0.083 0.000 1.030 303 K CA 1.774 58.114 56.287 0.089 0.000 1.027 303 K CB -0.829 31.704 32.500 0.056 0.000 0.757 303 K HN 0.636 nan 8.250 nan 0.000 0.444 304 G N -0.565 108.275 108.800 0.068 0.000 3.286 304 G HA2 0.135 4.094 3.960 -0.002 0.000 0.166 304 G HA3 0.135 4.094 3.960 -0.002 0.000 0.166 304 G C 0.770 175.708 174.900 0.064 0.000 1.155 304 G CA -0.057 45.079 45.100 0.060 0.000 0.871 304 G HN 0.251 nan 8.290 nan 0.000 0.637 305 K N -0.417 120.013 120.400 0.051 0.000 2.117 305 K HA -0.228 4.090 4.320 -0.002 0.000 0.215 305 K C 1.871 178.496 176.600 0.042 0.000 1.053 305 K CA 2.338 58.653 56.287 0.046 0.000 0.935 305 K CB -0.051 32.471 32.500 0.038 0.000 0.719 305 K HN 0.466 nan 8.250 nan 0.000 0.460 306 E N -0.938 119.285 120.200 0.038 0.000 2.501 306 E HA 0.099 4.448 4.350 -0.002 0.000 0.201 306 E C 0.622 177.242 176.600 0.034 0.000 1.016 306 E CA -0.117 56.300 56.400 0.030 0.000 0.920 306 E CB 0.640 30.351 29.700 0.020 0.000 1.023 306 E HN 0.419 nan 8.360 nan 0.000 0.474 307 G N 0.449 109.282 108.800 0.055 0.000 2.313 307 G HA2 -0.179 3.779 3.960 -0.002 0.000 0.283 307 G HA3 -0.179 3.779 3.960 -0.002 0.000 0.283 307 G C 0.762 175.691 174.900 0.049 0.000 1.476 307 G CA -0.114 45.029 45.100 0.071 0.000 1.054 307 G HN 0.218 nan 8.290 nan 0.000 0.550 308 R N -1.938 118.594 120.500 0.053 0.000 2.373 308 R HA 0.273 4.611 4.340 -0.002 0.000 0.221 308 R C 1.825 178.030 176.300 -0.158 0.000 0.893 308 R CA -0.094 55.961 56.100 -0.075 0.000 1.049 308 R CB 0.207 30.411 30.300 -0.161 0.000 1.119 308 R HN 0.452 nan 8.270 nan 0.000 0.535 309 F N 0.582 120.537 119.950 0.008 0.000 2.138 309 F HA 0.155 4.681 4.527 -0.002 0.000 0.283 309 F C 2.157 177.961 175.800 0.007 0.000 1.100 309 F CA 0.930 58.936 58.000 0.010 0.000 1.189 309 F CB -0.061 38.945 39.000 0.010 0.000 1.060 309 F HN -0.190 nan 8.300 nan 0.000 0.492 310 R N 0.120 120.748 120.500 0.215 0.000 2.235 310 R HA 0.019 4.357 4.340 -0.002 0.000 0.213 310 R C 2.133 178.473 176.300 0.067 0.000 1.059 310 R CA 0.936 57.103 56.100 0.112 0.000 0.997 310 R CB -0.775 29.578 30.300 0.089 0.000 0.884 310 R HN 0.408 nan 8.270 nan 0.000 0.462 311 G N 1.208 110.042 108.800 0.056 0.000 2.486 311 G HA2 -0.109 3.850 3.960 -0.002 0.000 0.210 311 G HA3 -0.109 3.850 3.960 -0.002 0.000 0.210 311 G C 0.936 175.838 174.900 0.002 0.000 1.168 311 G CA 0.062 45.176 45.100 0.024 0.000 0.820 311 G HN 0.262 nan 8.290 nan 0.000 0.544 312 N N -0.457 118.228 118.700 -0.024 0.000 2.232 312 N HA 0.185 4.923 4.740 -0.002 0.000 0.240 312 N C 0.407 175.881 175.510 -0.059 0.000 1.307 312 N CA -0.143 52.884 53.050 -0.038 0.000 0.859 312 N CB 1.282 39.740 38.487 -0.049 0.000 1.260 312 N HN 0.123 nan 8.380 nan 0.000 0.501 313 L N -0.165 121.023 121.223 -0.059 0.000 2.586 313 L HA 0.324 4.663 4.340 -0.002 0.000 0.204 313 L C 1.661 178.530 176.870 -0.002 0.000 1.053 313 L CA 1.227 56.026 54.840 -0.068 0.000 0.856 313 L CB -0.336 41.621 42.059 -0.170 0.000 1.192 313 L HN -0.049 nan 8.230 nan 0.000 0.484 314 S N -0.915 114.806 115.700 0.035 0.000 2.557 314 S HA 0.557 5.025 4.470 -0.002 0.000 0.223 314 S C 0.406 175.023 174.600 0.028 0.000 0.969 314 S CA 0.291 58.517 58.200 0.044 0.000 0.927 314 S CB -0.057 63.187 63.200 0.074 0.000 0.806 314 S HN 0.407 nan 8.310 nan 0.000 0.489 315 G N 0.846 109.658 108.800 0.020 0.000 2.766 315 G HA2 0.597 4.555 3.960 -0.002 0.000 0.297 315 G HA3 0.597 4.555 3.960 -0.002 0.000 0.297 315 G C -1.847 173.060 174.900 0.013 0.000 1.431 315 G CA -0.637 44.473 45.100 0.018 0.000 1.042 315 G HN 0.183 nan 8.290 nan 0.000 0.542 316 K N 1.302 121.713 120.400 0.018 0.000 2.542 316 K HA 0.355 4.673 4.320 -0.002 0.000 0.259 316 K C -0.269 176.350 176.600 0.031 0.000 0.932 316 K CA -1.007 55.290 56.287 0.017 0.000 0.820 316 K CB 2.905 35.413 32.500 0.013 0.000 1.345 316 K HN 0.581 nan 8.250 nan 0.000 0.432 317 R N 0.760 121.275 120.500 0.025 0.000 2.738 317 R HA 0.325 4.664 4.340 -0.002 0.000 0.268 317 R C 0.161 176.488 176.300 0.044 0.000 1.062 317 R CA -0.580 55.538 56.100 0.031 0.000 1.158 317 R CB 0.259 30.567 30.300 0.015 0.000 1.046 317 R HN 0.426 nan 8.270 nan 0.000 0.493 318 V N -2.076 117.872 119.914 0.057 0.000 2.925 318 V HA 0.324 4.443 4.120 -0.002 0.000 0.311 318 V C -0.593 175.547 176.094 0.077 0.000 1.104 318 V CA -1.374 60.975 62.300 0.082 0.000 0.954 318 V CB 2.249 34.157 31.823 0.141 0.000 1.022 318 V HN 0.545 nan 8.190 nan 0.000 0.427 319 D N 2.037 122.511 120.400 0.123 0.000 2.399 319 D HA 0.376 5.014 4.640 -0.002 0.000 0.241 319 D C 0.396 176.895 176.300 0.331 0.000 1.133 319 D CA 0.826 54.920 54.000 0.157 0.000 0.890 319 D CB 0.590 41.535 40.800 0.241 0.000 1.201 319 D HN 0.808 nan 8.370 nan 0.000 0.432 320 F N -1.226 118.694 119.950 -0.050 0.000 2.502 320 F HA -0.299 4.227 4.527 -0.002 0.000 0.480 320 F C 1.324 177.063 175.800 -0.102 0.000 0.543 320 F CA 0.716 58.685 58.000 -0.051 0.000 1.350 320 F CB -1.625 37.362 39.000 -0.022 0.000 1.999 320 F HN 0.309 nan 8.300 nan 0.000 0.267 321 S N 0.258 115.928 115.700 -0.051 0.000 2.553 321 S HA 0.396 4.864 4.470 -0.002 0.000 0.271 321 S C 0.345 174.878 174.600 -0.112 0.000 1.362 321 S CA 0.937 58.987 58.200 -0.249 0.000 1.010 321 S CB 1.025 64.100 63.200 -0.210 0.000 0.865 321 S HN 0.604 nan 8.310 nan 0.000 0.543 322 S N 1.525 117.171 115.700 -0.090 0.000 2.582 322 S HA 0.352 4.821 4.470 -0.002 0.000 0.296 322 S C -1.295 173.439 174.600 0.224 0.000 1.118 322 S CA -0.675 57.580 58.200 0.092 0.000 0.947 322 S CB 0.734 64.068 63.200 0.222 0.000 1.131 322 S HN 0.841 nan 8.310 nan 0.000 0.453 323 R N 2.847 123.461 120.500 0.189 0.000 2.534 323 R HA 0.807 5.146 4.340 -0.002 0.000 0.301 323 R C -1.056 175.325 176.300 0.135 0.000 0.961 323 R CA -0.206 56.017 56.100 0.206 0.000 0.871 323 R CB 1.680 32.014 30.300 0.057 0.000 1.170 323 R HN 0.684 nan 8.270 nan 0.000 0.446 324 T N 1.449 116.107 114.554 0.173 0.000 2.731 324 T HA 0.223 4.572 4.350 -0.002 0.000 0.300 324 T C -0.506 174.222 174.700 0.046 0.000 1.283 324 T CA -0.671 61.389 62.100 -0.067 0.000 1.005 324 T CB 1.234 69.805 68.868 -0.494 0.000 1.420 324 T HN 0.446 nan 8.240 nan 0.000 0.503 325 V N 0.531 120.439 119.914 -0.010 0.000 2.881 325 V HA 0.702 4.820 4.120 -0.002 0.000 0.303 325 V C 0.138 176.306 176.094 0.123 0.000 1.070 325 V CA -0.715 61.612 62.300 0.046 0.000 1.074 325 V CB -0.061 31.776 31.823 0.023 0.000 1.012 325 V HN 0.866 nan 8.190 nan 0.000 0.482 326 I N 1.162 121.838 120.570 0.177 0.000 2.412 326 I HA 0.791 4.959 4.170 -0.002 0.000 0.296 326 I C 0.000 176.367 176.117 0.417 0.000 0.987 326 I CA -0.186 61.296 61.300 0.303 0.000 1.180 326 I CB 1.831 39.976 38.000 0.241 0.000 1.340 326 I HN 0.610 nan 8.210 nan 0.000 0.455 327 S N 5.109 120.991 115.700 0.303 0.000 2.568 327 S HA 0.641 5.109 4.470 -0.002 0.000 0.302 327 S C -2.605 171.727 174.600 -0.446 0.000 1.082 327 S CA -1.215 56.988 58.200 0.005 0.000 1.009 327 S CB 1.819 64.995 63.200 -0.040 0.000 1.069 327 S HN 0.549 nan 8.310 nan 0.000 0.500 328 P HA 0.463 nan 4.420 nan 0.000 0.284 328 P C -1.309 175.744 177.300 -0.412 0.000 1.253 328 P CA -0.321 62.064 63.100 -1.191 0.000 0.800 328 P CB 0.518 31.487 31.700 -1.218 0.000 0.961 329 D N 3.148 123.430 120.400 -0.197 0.000 2.386 329 D HA 0.219 4.858 4.640 -0.002 0.000 0.247 329 D C -2.061 174.237 176.300 -0.003 0.000 1.336 329 D CA -1.953 51.999 54.000 -0.080 0.000 0.976 329 D CB 1.513 42.287 40.800 -0.044 0.000 1.257 329 D HN -0.014 nan 8.370 nan 0.000 0.570 330 P HA -0.092 nan 4.420 nan 0.000 0.215 330 P C 0.225 177.579 177.300 0.090 0.000 1.157 330 P CA 0.956 64.119 63.100 0.104 0.000 0.868 330 P CB 0.400 32.140 31.700 0.067 0.000 0.788 331 N N -0.034 118.694 118.700 0.046 0.000 2.366 331 N HA 0.279 5.018 4.740 -0.002 0.000 0.277 331 N C -0.004 175.520 175.510 0.024 0.000 1.275 331 N CA -0.237 52.833 53.050 0.034 0.000 0.964 331 N CB -0.075 38.425 38.487 0.022 0.000 1.167 331 N HN -0.206 nan 8.380 nan 0.000 0.568 332 I N -0.763 119.818 120.570 0.019 0.000 7.071 332 I HA -0.223 3.945 4.170 -0.002 0.000 0.126 332 I C 0.585 176.716 176.117 0.022 0.000 1.834 332 I CA -0.049 61.261 61.300 0.016 0.000 2.037 332 I CB -1.734 36.270 38.000 0.007 0.000 3.591 332 I HN 0.615 nan 8.210 nan 0.000 0.169 333 S N 5.216 120.929 115.700 0.023 0.000 2.540 333 S HA 0.154 4.623 4.470 -0.002 0.000 0.272 333 S C 1.755 176.372 174.600 0.029 0.000 1.357 333 S CA 0.587 58.801 58.200 0.022 0.000 1.011 333 S CB 0.424 63.644 63.200 0.034 0.000 0.852 333 S HN 0.463 nan 8.310 nan 0.000 0.535 334 I N 1.486 122.068 120.570 0.020 0.000 2.163 334 I HA -0.190 3.979 4.170 -0.002 0.000 0.243 334 I C 2.081 178.199 176.117 0.001 0.000 1.085 334 I CA 1.779 63.090 61.300 0.018 0.000 1.347 334 I CB -0.547 37.458 38.000 0.008 0.000 1.044 334 I HN 0.653 nan 8.210 nan 0.000 0.408 335 D N 0.657 121.057 120.400 0.001 0.000 2.117 335 D HA -0.078 4.561 4.640 -0.002 0.000 0.197 335 D C 0.990 177.284 176.300 -0.010 0.000 0.987 335 D CA 0.803 54.762 54.000 -0.068 0.000 0.829 335 D CB -0.129 40.676 40.800 0.009 0.000 0.961 335 D HN 0.404 nan 8.370 nan 0.000 0.460 336 E N -0.262 119.962 120.200 0.040 0.000 2.416 336 E HA 0.277 4.626 4.350 -0.002 0.000 0.254 336 E C -0.515 176.097 176.600 0.019 0.000 1.241 336 E CA -0.068 56.353 56.400 0.036 0.000 0.969 336 E CB 1.384 31.097 29.700 0.021 0.000 0.999 336 E HN -0.194 nan 8.360 nan 0.000 0.481 337 V N 0.315 120.169 119.914 -0.100 0.000 2.777 337 V HA 0.337 4.455 4.120 -0.002 0.000 0.306 337 V C -0.091 175.914 176.094 -0.149 0.000 1.112 337 V CA -0.852 61.261 62.300 -0.311 0.000 0.917 337 V CB 2.109 33.535 31.823 -0.662 0.000 1.018 337 V HN 0.779 nan 8.190 nan 0.000 0.426 338 G N 3.350 112.094 108.800 -0.094 0.000 2.360 338 G HA2 0.500 4.459 3.960 -0.002 0.000 0.279 338 G HA3 0.500 4.459 3.960 -0.002 0.000 0.279 338 G C -0.662 174.294 174.900 0.094 0.000 1.189 338 G CA -0.062 45.038 45.100 -0.001 0.000 0.941 338 G HN 0.585 nan 8.290 nan 0.000 0.445 339 V N 5.338 125.287 119.914 0.059 0.000 2.487 339 V HA 0.303 4.422 4.120 -0.002 0.000 0.298 339 V C -2.127 173.956 176.094 -0.017 0.000 1.028 339 V CA -1.916 60.457 62.300 0.121 0.000 0.860 339 V CB 2.387 34.292 31.823 0.137 0.000 0.991 339 V HN 0.528 nan 8.190 nan 0.000 0.427 340 P HA 0.050 nan 4.420 nan 0.000 0.266 340 P C 0.860 178.088 177.300 -0.120 0.000 1.195 340 P CA 0.196 63.221 63.100 -0.126 0.000 0.768 340 P CB 0.750 32.344 31.700 -0.176 0.000 0.838 341 E N 2.631 122.729 120.200 -0.170 0.000 2.209 341 E HA -0.193 4.155 4.350 -0.002 0.000 0.196 341 E C 1.217 177.788 176.600 -0.048 0.000 0.993 341 E CA 1.094 57.371 56.400 -0.205 0.000 0.819 341 E CB -0.064 29.497 29.700 -0.232 0.000 0.745 341 E HN 0.262 nan 8.360 nan 0.000 0.477 342 I N 1.212 121.755 120.570 -0.044 0.000 2.141 342 I HA -0.256 3.913 4.170 -0.002 0.000 0.236 342 I C 2.377 178.496 176.117 0.002 0.000 1.071 342 I CA 0.846 62.140 61.300 -0.010 0.000 1.345 342 I CB -1.450 36.524 38.000 -0.043 0.000 1.066 342 I HN 0.178 nan 8.210 nan 0.000 0.406 343 I N 1.660 122.214 120.570 -0.027 0.000 2.315 343 I HA -0.258 3.910 4.170 -0.002 0.000 0.251 343 I C 2.633 178.788 176.117 0.063 0.000 1.125 343 I CA 1.615 62.919 61.300 0.007 0.000 1.392 343 I CB -1.530 36.471 38.000 0.002 0.000 1.065 343 I HN 0.186 nan 8.210 nan 0.000 0.424 344 A N 0.341 123.207 122.820 0.076 0.000 2.066 344 A HA -0.131 4.188 4.320 -0.002 0.000 0.218 344 A C 2.347 180.057 177.584 0.210 0.000 1.157 344 A CA 0.972 53.103 52.037 0.157 0.000 0.670 344 A CB -0.158 18.927 19.000 0.142 0.000 0.804 344 A HN 0.376 nan 8.150 nan 0.000 0.453 345 K N -0.787 119.712 120.400 0.165 0.000 2.102 345 K HA -0.017 4.302 4.320 -0.002 0.000 0.206 345 K C 2.125 178.612 176.600 -0.189 0.000 1.031 345 K CA 1.392 57.718 56.287 0.065 0.000 0.962 345 K CB -0.576 32.094 32.500 0.283 0.000 0.811 345 K HN 0.454 nan 8.250 nan 0.000 0.453 346 T N 2.342 116.846 114.554 -0.083 0.000 2.680 346 T HA -0.179 4.170 4.350 -0.002 0.000 0.268 346 T C 1.191 175.791 174.700 -0.166 0.000 1.033 346 T CA 1.095 63.121 62.100 -0.123 0.000 1.152 346 T CB -0.549 68.266 68.868 -0.088 0.000 0.859 346 T HN 0.009 nan 8.240 nan 0.000 0.452 347 L N 2.077 123.246 121.223 -0.090 0.000 2.436 347 L HA 0.446 4.784 4.340 -0.002 0.000 0.265 347 L C 0.675 177.566 176.870 0.034 0.000 1.168 347 L CA -0.429 54.393 54.840 -0.030 0.000 0.815 347 L CB 0.740 42.858 42.059 0.099 0.000 1.109 347 L HN 0.402 nan 8.230 nan 0.000 0.462 348 T N -1.163 113.543 114.554 0.254 0.000 2.843 348 T HA 0.662 5.010 4.350 -0.002 0.000 0.302 348 T C -0.826 174.021 174.700 0.246 0.000 1.232 348 T CA -0.807 61.430 62.100 0.228 0.000 1.009 348 T CB 1.818 70.771 68.868 0.142 0.000 1.254 348 T HN 0.242 nan 8.240 nan 0.000 0.504 349 V N 0.340 120.318 119.914 0.106 0.000 2.407 349 V HA 0.593 4.712 4.120 -0.002 0.000 0.291 349 V C -2.648 173.471 176.094 0.042 0.000 1.018 349 V CA -2.371 59.951 62.300 0.038 0.000 0.842 349 V CB 1.408 33.253 31.823 0.037 0.000 0.996 349 V HN 0.864 nan 8.190 nan 0.000 0.426 350 P HA 0.223 nan 4.420 nan 0.000 0.260 350 P C -0.354 176.970 177.300 0.040 0.000 1.651 350 P CA 0.187 63.305 63.100 0.029 0.000 1.139 350 P CB 0.544 32.239 31.700 -0.007 0.000 1.756 351 E N 4.283 124.526 120.200 0.071 0.000 2.167 351 E HA 0.165 4.513 4.350 -0.002 0.000 0.284 351 E C 0.010 176.666 176.600 0.094 0.000 1.016 351 E CA -0.863 55.587 56.400 0.084 0.000 0.817 351 E CB 0.679 30.445 29.700 0.109 0.000 1.080 351 E HN 0.226 nan 8.360 nan 0.000 0.397 352 R N 3.179 123.729 120.500 0.084 0.000 2.707 352 R HA 0.246 4.585 4.340 -0.002 0.000 0.270 352 R C -0.199 176.160 176.300 0.098 0.000 1.083 352 R CA -0.532 55.620 56.100 0.087 0.000 1.182 352 R CB 0.242 30.584 30.300 0.070 0.000 1.084 352 R HN 0.482 nan 8.270 nan 0.000 0.528 353 I N 0.740 121.367 120.570 0.095 0.000 2.359 353 I HA 0.186 4.354 4.170 -0.002 0.000 0.294 353 I C 0.632 176.769 176.117 0.032 0.000 0.987 353 I CA 0.273 61.615 61.300 0.071 0.000 1.225 353 I CB 1.726 39.763 38.000 0.062 0.000 1.366 353 I HN 0.761 nan 8.210 nan 0.000 0.466 354 T N 4.018 118.568 114.554 -0.006 0.000 2.693 354 T HA 0.673 5.022 4.350 -0.002 0.000 0.278 354 T C -2.683 171.807 174.700 -0.350 0.000 0.994 354 T CA -1.846 60.178 62.100 -0.127 0.000 1.033 354 T CB 1.585 70.443 68.868 -0.017 0.000 1.342 354 T HN 0.213 nan 8.240 nan 0.000 0.538 355 P HA -0.027 nan 4.420 nan 0.000 0.302 355 P C 0.633 177.445 177.300 -0.813 0.000 1.301 355 P CA 0.651 63.209 63.100 -0.903 0.000 0.770 355 P CB -0.229 30.683 31.700 -1.313 0.000 1.458 356 W N -1.139 120.154 121.300 -0.012 0.000 2.141 356 W HA -0.438 4.221 4.660 -0.002 0.000 0.321 356 W C 1.684 178.186 176.519 -0.028 0.000 1.838 356 W CA 2.373 59.707 57.345 -0.017 0.000 2.052 356 W CB -2.997 26.458 29.460 -0.009 0.000 0.928 356 W HN 0.496 nan 8.180 nan 0.000 0.457 357 N N 2.552 121.484 118.700 0.387 0.000 2.096 357 N HA -0.302 4.436 4.740 -0.002 0.000 0.195 357 N C 1.720 177.258 175.510 0.047 0.000 1.017 357 N CA 2.926 56.089 53.050 0.189 0.000 0.870 357 N CB -1.083 37.543 38.487 0.231 0.000 1.024 357 N HN 0.760 nan 8.380 nan 0.000 0.434 358 I N 1.007 121.583 120.570 0.011 0.000 2.450 358 I HA -0.345 3.823 4.170 -0.002 0.000 0.260 358 I C 1.831 177.901 176.117 -0.078 0.000 1.145 358 I CA 1.534 62.806 61.300 -0.046 0.000 1.413 358 I CB 0.041 37.993 38.000 -0.080 0.000 1.090 358 I HN 0.267 nan 8.210 nan 0.000 0.445 359 E N 0.560 120.718 120.200 -0.070 0.000 2.012 359 E HA -0.234 4.115 4.350 -0.002 0.000 0.192 359 E C 2.079 178.570 176.600 -0.182 0.000 0.977 359 E CA 1.005 57.344 56.400 -0.101 0.000 0.832 359 E CB -0.332 29.327 29.700 -0.068 0.000 0.790 359 E HN 0.301 nan 8.360 nan 0.000 0.466 360 K N 0.678 120.954 120.400 -0.207 0.000 2.127 360 K HA -0.239 4.080 4.320 -0.002 0.000 0.208 360 K C 2.119 178.283 176.600 -0.726 0.000 1.047 360 K CA 1.027 57.065 56.287 -0.416 0.000 0.927 360 K CB -0.132 32.189 32.500 -0.299 0.000 0.716 360 K HN 0.002 nan 8.250 nan 0.000 0.450 361 L N 1.235 122.234 121.223 -0.374 0.000 2.093 361 L HA -0.120 4.219 4.340 -0.002 0.000 0.208 361 L C 2.203 178.950 176.870 -0.206 0.000 1.085 361 L CA 1.528 56.233 54.840 -0.225 0.000 0.755 361 L CB -0.292 41.770 42.059 0.005 0.000 0.904 361 L HN 0.126 nan 8.230 nan 0.000 0.435 362 R N -1.427 118.954 120.500 -0.198 0.000 2.073 362 R HA -0.214 4.124 4.340 -0.002 0.000 0.234 362 R C 2.244 178.450 176.300 -0.156 0.000 1.134 362 R CA 1.346 57.364 56.100 -0.138 0.000 0.952 362 R CB -0.383 29.839 30.300 -0.129 0.000 0.850 362 R HN 0.283 nan 8.270 nan 0.000 0.433 363 Q N 0.066 119.695 119.800 -0.285 0.000 2.156 363 Q HA -0.177 4.162 4.340 -0.002 0.000 0.211 363 Q C 1.657 177.593 176.000 -0.106 0.000 0.995 363 Q CA 1.909 57.556 55.803 -0.260 0.000 0.877 363 Q CB -0.294 28.189 28.738 -0.424 0.000 0.920 363 Q HN 0.399 nan 8.270 nan 0.000 0.416 364 F N -1.836 118.066 119.950 -0.080 0.000 2.084 364 F HA -0.155 4.371 4.527 -0.003 0.000 0.296 364 F C 2.301 178.069 175.800 -0.053 0.000 1.111 364 F CA 0.627 58.571 58.000 -0.093 0.000 1.224 364 F CB -0.531 38.426 39.000 -0.071 0.000 0.991 364 F HN -0.002 nan 8.300 nan 0.000 0.471 365 V N 0.671 120.682 119.914 0.161 0.000 3.026 365 V HA -0.206 3.913 4.120 -0.002 0.000 0.265 365 V C 1.723 177.842 176.094 0.041 0.000 1.121 365 V CA 1.415 63.769 62.300 0.090 0.000 1.142 365 V CB -0.443 31.415 31.823 0.059 0.000 0.730 365 V HN 0.366 nan 8.190 nan 0.000 0.503 366 I N 0.359 120.941 120.570 0.021 0.000 2.429 366 I HA 0.026 4.195 4.170 -0.002 0.000 0.247 366 I C 1.909 178.034 176.117 0.012 0.000 1.099 366 I CA 1.661 62.962 61.300 0.002 0.000 1.422 366 I CB -0.590 37.398 38.000 -0.021 0.000 1.112 366 I HN 0.283 nan 8.210 nan 0.000 0.430 367 N N 1.455 120.167 118.700 0.021 0.000 2.272 367 N HA 0.049 4.788 4.740 -0.002 0.000 0.185 367 N C 1.192 176.703 175.510 0.003 0.000 1.014 367 N CA 1.503 54.559 53.050 0.009 0.000 0.870 367 N CB -0.412 38.079 38.487 0.008 0.000 0.975 367 N HN 0.713 nan 8.380 nan 0.000 0.433 368 G N -0.447 108.369 108.800 0.026 0.000 2.498 368 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.251 368 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.251 368 G C -1.998 172.941 174.900 0.066 0.000 1.170 368 G CA 0.183 45.308 45.100 0.042 0.000 0.944 368 G HN 0.251 nan 8.290 nan 0.000 0.567 369 P HA 0.258 nan 4.420 nan 0.000 0.286 369 P C 0.380 177.779 177.300 0.165 0.000 1.269 369 P CA 0.902 64.151 63.100 0.249 0.000 0.908 369 P CB 0.824 32.624 31.700 0.167 0.000 1.395 370 D N -0.037 120.401 120.400 0.064 0.000 2.201 370 D HA -0.016 4.623 4.640 -0.002 0.000 0.209 370 D C 0.950 177.269 176.300 0.032 0.000 0.961 370 D CA 1.045 55.080 54.000 0.059 0.000 0.861 370 D CB 0.174 41.002 40.800 0.047 0.000 0.997 370 D HN 0.033 nan 8.370 nan 0.000 0.486 371 K N 1.032 121.420 120.400 -0.020 0.000 2.258 371 K HA -0.012 4.307 4.320 -0.002 0.000 0.284 371 K C 0.652 177.191 176.600 -0.101 0.000 1.051 371 K CA -0.610 55.672 56.287 -0.010 0.000 0.923 371 K CB 1.116 33.612 32.500 -0.007 0.000 1.046 371 K HN -0.049 nan 8.250 nan 0.000 0.474 372 W N 7.247 128.450 121.300 -0.161 0.000 2.300 372 W HA -0.258 4.401 4.660 -0.003 0.000 0.346 372 W C -1.332 174.956 176.519 -0.385 0.000 1.405 372 W CA 1.670 58.887 57.345 -0.212 0.000 1.281 372 W CB -1.699 27.715 29.460 -0.077 0.000 1.097 372 W HN 0.505 nan 8.180 nan 0.000 0.470 373 P HA 0.269 nan 4.420 nan 0.000 0.252 373 P C 0.040 176.975 177.300 -0.609 0.000 1.727 373 P CA 0.718 63.143 63.100 -1.125 0.000 1.134 373 P CB 0.321 31.536 31.700 -0.809 0.000 1.876 374 G N 1.190 109.507 108.800 -0.806 0.000 3.262 374 G HA2 0.683 4.641 3.960 -0.002 0.000 0.229 374 G HA3 0.683 4.641 3.960 -0.002 0.000 0.229 374 G C -1.047 173.946 174.900 0.155 0.000 1.280 374 G CA -0.785 44.130 45.100 -0.308 0.000 0.951 374 G HN 0.202 nan 8.290 nan 0.000 0.589 375 A N 0.220 123.257 122.820 0.361 0.000 3.367 375 A HA 0.296 4.614 4.320 -0.002 0.000 0.208 375 A C 0.105 177.818 177.584 0.215 0.000 1.043 375 A CA -0.476 51.737 52.037 0.293 0.000 1.079 375 A CB -1.060 18.071 19.000 0.218 0.000 1.314 375 A HN 0.727 nan 8.150 nan 0.000 0.668 376 N N 0.998 119.831 118.700 0.221 0.000 2.292 376 N HA 0.090 4.828 4.740 -0.002 0.000 0.284 376 N C -0.678 174.949 175.510 0.194 0.000 1.387 376 N CA 0.643 53.772 53.050 0.132 0.000 0.961 376 N CB -0.164 38.376 38.487 0.088 0.000 1.356 376 N HN 0.480 nan 8.380 nan 0.000 0.491 377 Y N -0.837 119.458 120.300 -0.009 0.000 2.717 377 Y HA -0.130 4.419 4.550 -0.002 0.000 0.066 377 Y C -1.490 174.430 175.900 0.034 0.000 2.044 377 Y CA -0.577 57.517 58.100 -0.010 0.000 1.294 377 Y CB -0.777 37.672 38.460 -0.018 0.000 1.959 377 Y HN 0.467 nan 8.280 nan 0.000 0.271 378 V N 7.547 127.623 119.914 0.270 0.000 2.623 378 V HA 0.756 4.874 4.120 -0.002 0.000 0.304 378 V C -0.737 175.499 176.094 0.237 0.000 1.054 378 V CA -0.690 61.749 62.300 0.230 0.000 0.882 378 V CB 1.549 33.470 31.823 0.163 0.000 1.002 378 V HN 0.602 nan 8.190 nan 0.000 0.424 379 I N 7.178 127.879 120.570 0.218 0.000 2.365 379 I HA 0.508 4.677 4.170 -0.002 0.000 0.291 379 I C 0.780 176.967 176.117 0.118 0.000 1.004 379 I CA -0.408 60.987 61.300 0.159 0.000 1.311 379 I CB 1.086 39.153 38.000 0.112 0.000 1.401 379 I HN 0.580 nan 8.210 nan 0.000 0.491 380 R N 7.086 127.598 120.500 0.020 0.000 2.546 380 R HA 0.281 4.619 4.340 -0.002 0.000 0.266 380 R C -1.583 174.545 176.300 -0.287 0.000 1.086 380 R CA -1.482 54.476 56.100 -0.236 0.000 1.160 380 R CB 0.473 30.640 30.300 -0.221 0.000 1.138 380 R HN 0.390 nan 8.270 nan 0.000 0.567 381 P HA -0.052 nan 4.420 nan 0.000 0.242 381 P C -0.455 176.739 177.300 -0.176 0.000 1.197 381 P CA 1.011 63.947 63.100 -0.274 0.000 0.765 381 P CB 0.295 31.810 31.700 -0.308 0.000 0.936 382 D N -0.354 119.942 120.400 -0.174 0.000 2.363 382 D HA 0.124 4.762 4.640 -0.002 0.000 0.214 382 D C 1.421 177.689 176.300 -0.053 0.000 1.093 382 D CA 0.332 54.274 54.000 -0.098 0.000 0.837 382 D CB 0.086 40.832 40.800 -0.090 0.000 0.948 382 D HN 0.156 nan 8.370 nan 0.000 0.507 383 G N 2.175 110.947 108.800 -0.046 0.000 2.153 383 G HA2 -0.339 3.619 3.960 -0.002 0.000 0.252 383 G HA3 -0.339 3.619 3.960 -0.002 0.000 0.252 383 G C 0.439 175.346 174.900 0.012 0.000 0.994 383 G CA -0.103 44.990 45.100 -0.011 0.000 0.698 383 G HN 0.241 nan 8.290 nan 0.000 0.521 384 R N 0.251 120.754 120.500 0.006 0.000 2.196 384 R HA 0.510 4.849 4.340 -0.002 0.000 0.340 384 R C 1.040 177.384 176.300 0.073 0.000 1.043 384 R CA -0.535 55.584 56.100 0.031 0.000 0.883 384 R CB 0.244 30.553 30.300 0.014 0.000 1.078 384 R HN 0.205 nan 8.270 nan 0.000 0.462 385 R N 4.853 125.423 120.500 0.116 0.000 4.792 385 R HA 0.164 4.503 4.340 -0.002 0.000 0.205 385 R C -0.226 176.147 176.300 0.121 0.000 1.875 385 R CA -0.108 56.134 56.100 0.237 0.000 1.588 385 R CB -0.230 30.280 30.300 0.351 0.000 1.401 385 R HN 0.600 nan 8.270 nan 0.000 0.834 386 I N 1.848 122.449 120.570 0.051 0.000 2.664 386 I HA -0.139 4.029 4.170 -0.002 0.000 0.284 386 I C 1.125 177.125 176.117 -0.194 0.000 1.154 386 I CA 0.280 61.557 61.300 -0.038 0.000 1.402 386 I CB 0.245 38.259 38.000 0.023 0.000 1.395 386 I HN 0.387 nan 8.210 nan 0.000 0.545 387 D N 4.671 124.841 120.400 -0.383 0.000 1.944 387 D HA -0.095 4.543 4.640 -0.002 0.000 0.232 387 D C 0.766 176.836 176.300 -0.384 0.000 1.304 387 D CA 0.993 54.599 54.000 -0.658 0.000 0.937 387 D CB 0.571 40.972 40.800 -0.666 0.000 1.543 387 D HN 0.478 nan 8.370 nan 0.000 0.553 388 L N -1.895 119.094 121.223 -0.389 0.000 3.094 388 L HA 0.197 4.536 4.340 -0.002 0.000 0.338 388 L C 1.951 178.711 176.870 -0.184 0.000 1.018 388 L CA -0.311 54.422 54.840 -0.179 0.000 1.520 388 L CB -0.301 41.720 42.059 -0.064 0.000 2.533 388 L HN 0.253 nan 8.230 nan 0.000 0.576 389 R N 0.358 120.676 120.500 -0.305 0.000 2.133 389 R HA -0.166 4.173 4.340 -0.002 0.000 0.245 389 R C -0.048 176.173 176.300 -0.132 0.000 1.137 389 R CA 2.592 58.555 56.100 -0.229 0.000 0.947 389 R CB -0.577 29.524 30.300 -0.331 0.000 0.865 389 R HN 0.454 nan 8.270 nan 0.000 0.437 390 Y N -3.406 116.878 120.300 -0.027 0.000 2.659 390 Y HA 0.559 5.108 4.550 -0.002 0.000 0.333 390 Y C -0.294 175.591 175.900 -0.025 0.000 1.064 390 Y CA -2.484 55.605 58.100 -0.019 0.000 1.141 390 Y CB 1.030 39.478 38.460 -0.019 0.000 1.316 390 Y HN -0.208 nan 8.280 nan 0.000 0.509 391 V N 0.617 120.699 119.914 0.280 0.000 3.148 391 V HA -0.202 3.917 4.120 -0.002 0.000 0.443 391 V C 0.343 176.488 176.094 0.084 0.000 0.681 391 V CA -0.527 61.867 62.300 0.156 0.000 1.967 391 V CB -1.783 30.133 31.823 0.155 0.000 2.445 391 V HN 0.915 nan 8.190 nan 0.000 0.490 392 K N 2.303 122.739 120.400 0.061 0.000 2.101 392 K HA -0.079 4.240 4.320 -0.002 0.000 0.226 392 K C 1.440 178.057 176.600 0.029 0.000 0.919 392 K CA 1.768 58.079 56.287 0.040 0.000 1.062 392 K CB -0.302 32.215 32.500 0.028 0.000 0.698 392 K HN 0.865 nan 8.250 nan 0.000 0.597 393 D N -1.425 118.987 120.400 0.020 0.000 4.435 393 D HA -0.355 4.284 4.640 -0.002 0.000 0.235 393 D C 1.126 177.430 176.300 0.008 0.000 0.580 393 D CA 2.350 56.358 54.000 0.013 0.000 1.063 393 D CB -0.573 40.236 40.800 0.016 0.000 0.562 393 D HN 0.451 nan 8.370 nan 0.000 0.392 394 R N -0.391 120.113 120.500 0.007 0.000 2.632 394 R HA -0.350 3.989 4.340 -0.002 0.000 0.149 394 R C 1.781 178.075 176.300 -0.010 0.000 0.895 394 R CA 2.780 58.881 56.100 0.002 0.000 1.623 394 R CB -1.422 28.884 30.300 0.009 0.000 0.572 394 R HN 0.393 nan 8.270 nan 0.000 0.671 395 K N 0.465 120.860 120.400 -0.010 0.000 2.144 395 K HA -0.262 4.057 4.320 -0.002 0.000 0.209 395 K C 1.687 178.271 176.600 -0.025 0.000 1.047 395 K CA 2.409 58.685 56.287 -0.018 0.000 0.927 395 K CB -0.149 32.343 32.500 -0.013 0.000 0.716 395 K HN 0.450 nan 8.250 nan 0.000 0.454 396 E N 0.147 120.335 120.200 -0.019 0.000 2.022 396 E HA -0.058 4.291 4.350 -0.002 0.000 0.190 396 E C 1.817 178.397 176.600 -0.034 0.000 0.973 396 E CA 0.547 56.933 56.400 -0.023 0.000 0.816 396 E CB -0.074 29.620 29.700 -0.011 0.000 0.781 396 E HN 0.141 nan 8.360 nan 0.000 0.456 397 L N 1.154 122.362 121.223 -0.025 0.000 2.651 397 L HA -0.116 4.223 4.340 -0.002 0.000 0.236 397 L C 2.048 178.873 176.870 -0.075 0.000 1.173 397 L CA 0.092 54.911 54.840 -0.035 0.000 0.843 397 L CB -0.352 41.705 42.059 -0.003 0.000 0.964 397 L HN 0.202 nan 8.230 nan 0.000 0.454 398 A N -0.268 122.511 122.820 -0.068 0.000 1.935 398 A HA -0.114 4.204 4.320 -0.002 0.000 0.214 398 A C 2.410 179.920 177.584 -0.123 0.000 1.178 398 A CA 1.312 53.299 52.037 -0.084 0.000 0.640 398 A CB -0.283 18.682 19.000 -0.058 0.000 0.825 398 A HN 0.464 nan 8.150 nan 0.000 0.447 399 S N -1.386 114.251 115.700 -0.105 0.000 2.562 399 S HA -0.025 4.444 4.470 -0.002 0.000 0.221 399 S C 1.507 176.022 174.600 -0.142 0.000 0.975 399 S CA 1.158 59.292 58.200 -0.110 0.000 0.918 399 S CB -0.563 62.593 63.200 -0.074 0.000 0.772 399 S HN 0.392 nan 8.310 nan 0.000 0.531 400 T N 2.919 117.370 114.554 -0.171 0.000 2.777 400 T HA 0.151 4.499 4.350 -0.002 0.000 0.266 400 T C 0.697 175.124 174.700 -0.454 0.000 1.040 400 T CA 0.471 62.447 62.100 -0.208 0.000 1.141 400 T CB -0.613 68.158 68.868 -0.162 0.000 0.868 400 T HN 0.395 nan 8.240 nan 0.000 0.444 401 L N 1.695 122.566 121.223 -0.587 0.000 2.678 401 L HA 0.165 4.504 4.340 -0.002 0.000 0.285 401 L C 0.186 176.800 176.870 -0.426 0.000 1.233 401 L CA -0.358 54.034 54.840 -0.746 0.000 0.920 401 L CB -0.288 41.546 42.059 -0.375 0.000 1.176 401 L HN 0.230 nan 8.230 nan 0.000 0.495 402 A N 5.717 128.347 122.820 -0.317 0.000 2.513 402 A HA 0.575 4.893 4.320 -0.002 0.000 0.296 402 A C -2.507 175.135 177.584 0.096 0.000 1.052 402 A CA -1.294 50.714 52.037 -0.049 0.000 0.714 402 A CB 1.352 20.358 19.000 0.009 0.000 1.279 402 A HN 0.481 nan 8.150 nan 0.000 0.397 403 P HA -0.065 nan 4.420 nan 0.000 0.185 403 P C 0.924 178.275 177.300 0.086 0.000 0.860 403 P CA 2.024 65.141 63.100 0.028 0.000 1.176 403 P CB -0.464 31.203 31.700 -0.055 0.000 1.233 404 G N 1.111 110.010 108.800 0.165 0.000 4.187 404 G HA2 -0.045 3.913 3.960 -0.002 0.000 0.174 404 G HA3 -0.045 3.913 3.960 -0.002 0.000 0.174 404 G C -0.556 174.398 174.900 0.090 0.000 0.947 404 G CA -0.272 44.892 45.100 0.108 0.000 0.940 404 G HN 0.242 nan 8.290 nan 0.000 0.410 405 Y N 1.409 121.714 120.300 0.008 0.000 2.301 405 Y HA 0.606 5.154 4.550 -0.002 0.000 0.328 405 Y C 0.720 176.638 175.900 0.030 0.000 1.242 405 Y CA -0.852 57.261 58.100 0.022 0.000 1.323 405 Y CB 0.937 39.411 38.460 0.024 0.000 1.266 405 Y HN -0.064 nan 8.280 nan 0.000 0.527 406 I N 5.397 126.074 120.570 0.178 0.000 2.621 406 I HA 0.167 4.335 4.170 -0.002 0.000 0.276 406 I C -0.408 175.794 176.117 0.142 0.000 1.118 406 I CA -0.862 60.514 61.300 0.125 0.000 1.159 406 I CB -0.384 37.662 38.000 0.077 0.000 1.357 406 I HN 0.473 nan 8.210 nan 0.000 0.513 407 I N 1.404 122.068 120.570 0.158 0.000 2.692 407 I HA 0.180 4.349 4.170 -0.002 0.000 0.284 407 I C 0.437 176.638 176.117 0.140 0.000 1.159 407 I CA 0.347 61.742 61.300 0.159 0.000 1.423 407 I CB 0.305 38.395 38.000 0.149 0.000 1.380 407 I HN 0.323 nan 8.210 nan 0.000 0.580 408 E N 5.929 126.218 120.200 0.148 0.000 1.936 408 E HA 0.198 4.547 4.350 -0.002 0.000 0.267 408 E C -0.292 176.380 176.600 0.121 0.000 1.076 408 E CA -0.483 55.989 56.400 0.120 0.000 0.870 408 E CB 0.472 30.233 29.700 0.102 0.000 1.093 408 E HN 0.526 nan 8.360 nan 0.000 0.411 409 R N 1.862 122.428 120.500 0.111 0.000 2.694 409 R HA 0.061 4.400 4.340 -0.002 0.000 0.268 409 R C 0.019 176.331 176.300 0.021 0.000 1.061 409 R CA -0.333 55.818 56.100 0.084 0.000 1.133 409 R CB 0.495 30.848 30.300 0.088 0.000 1.020 409 R HN 0.451 nan 8.270 nan 0.000 0.475 410 H N 0.730 119.695 119.070 -0.176 0.000 2.703 410 H HA 0.073 4.628 4.556 -0.002 0.000 0.377 410 H C -0.319 174.932 175.328 -0.129 0.000 1.392 410 H CA 0.163 56.123 56.048 -0.148 0.000 1.458 410 H CB 0.490 30.087 29.762 -0.275 0.000 1.529 410 H HN 0.272 nan 8.280 nan 0.000 0.619 411 L N 1.974 123.270 121.223 0.120 0.000 2.397 411 L HA 0.219 4.557 4.340 -0.002 0.000 0.271 411 L C -0.728 176.250 176.870 0.179 0.000 1.148 411 L CA 0.082 55.010 54.840 0.147 0.000 0.825 411 L CB -0.004 42.175 42.059 0.201 0.000 1.117 411 L HN 0.493 nan 8.230 nan 0.000 0.456 412 I N -0.428 120.214 120.570 0.120 0.000 3.042 412 I HA 0.560 4.729 4.170 -0.002 0.000 0.310 412 I C -0.589 175.655 176.117 0.211 0.000 1.117 412 I CA -0.979 60.403 61.300 0.138 0.000 1.003 412 I CB 1.078 39.055 38.000 -0.038 0.000 1.228 412 I HN 0.306 nan 8.210 nan 0.000 0.443 413 D N 2.486 123.053 120.400 0.278 0.000 2.423 413 D HA 0.429 5.067 4.640 -0.002 0.000 0.238 413 D C 1.222 177.602 176.300 0.133 0.000 1.142 413 D CA 1.649 55.773 54.000 0.207 0.000 0.884 413 D CB 0.661 41.599 40.800 0.230 0.000 1.199 413 D HN 1.154 nan 8.370 nan 0.000 0.438 414 G N 1.532 110.392 108.800 0.100 0.000 2.143 414 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.248 414 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.248 414 G C -0.089 174.850 174.900 0.066 0.000 0.991 414 G CA -0.041 45.104 45.100 0.075 0.000 0.689 414 G HN 0.587 nan 8.290 nan 0.000 0.522 415 D N 0.198 120.642 120.400 0.074 0.000 2.232 415 D HA 0.486 5.125 4.640 -0.002 0.000 0.242 415 D C 0.519 176.851 176.300 0.052 0.000 1.093 415 D CA -0.550 53.488 54.000 0.063 0.000 0.845 415 D CB 0.790 41.636 40.800 0.077 0.000 1.124 415 D HN 0.016 nan 8.370 nan 0.000 0.467 416 I N 3.299 123.892 120.570 0.037 0.000 2.598 416 I HA 0.029 4.197 4.170 -0.002 0.000 0.284 416 I C 0.146 176.288 176.117 0.041 0.000 1.140 416 I CA 0.197 61.515 61.300 0.031 0.000 1.420 416 I CB 0.852 38.860 38.000 0.013 0.000 1.387 416 I HN 0.068 nan 8.210 nan 0.000 0.553 417 V N 7.245 127.194 119.914 0.058 0.000 2.841 417 V HA 0.391 4.510 4.120 -0.002 0.000 0.310 417 V C -0.533 175.631 176.094 0.116 0.000 1.090 417 V CA -0.936 61.411 62.300 0.078 0.000 0.930 417 V CB 2.136 33.999 31.823 0.067 0.000 1.014 417 V HN 0.273 nan 8.190 nan 0.000 0.425 418 L N 3.992 125.295 121.223 0.133 0.000 2.290 418 L HA 0.470 4.808 4.340 -0.002 0.000 0.284 418 L C -0.537 176.475 176.870 0.237 0.000 1.078 418 L CA 0.503 55.437 54.840 0.157 0.000 0.815 418 L CB 0.506 42.599 42.059 0.056 0.000 1.162 418 L HN 0.501 nan 8.230 nan 0.000 0.435 419 F N 3.900 123.874 119.950 0.039 0.000 2.458 419 F HA 0.518 5.043 4.527 -0.002 0.000 0.330 419 F C 0.170 175.996 175.800 0.044 0.000 1.082 419 F CA -0.841 57.081 58.000 -0.130 0.000 0.995 419 F CB 1.331 40.039 39.000 -0.487 0.000 1.170 419 F HN 0.571 nan 8.300 nan 0.000 0.478 420 N N 3.394 121.910 118.700 -0.306 0.000 2.308 420 N HA 0.358 5.097 4.740 -0.002 0.000 0.283 420 N C -1.822 173.511 175.510 -0.295 0.000 1.105 420 N CA -0.656 52.330 53.050 -0.108 0.000 0.840 420 N CB 1.659 40.132 38.487 -0.023 0.000 1.633 420 N HN 0.687 nan 8.380 nan 0.000 0.476 421 R N 3.386 123.846 120.500 -0.067 0.000 2.576 421 R HA 0.145 4.484 4.340 -0.002 0.000 0.283 421 R C -0.637 175.659 176.300 -0.008 0.000 1.493 421 R CA -0.402 55.631 56.100 -0.111 0.000 1.170 421 R CB 0.860 31.104 30.300 -0.093 0.000 1.189 421 R HN 0.691 nan 8.270 nan 0.000 0.542 422 Q N 3.762 123.543 119.800 -0.032 0.000 2.317 422 Q HA 0.399 4.738 4.340 -0.002 0.000 0.229 422 Q C -1.965 174.025 176.000 -0.017 0.000 0.984 422 Q CA -1.873 53.924 55.803 -0.010 0.000 0.911 422 Q CB 0.609 29.341 28.738 -0.009 0.000 1.217 422 Q HN 0.290 nan 8.270 nan 0.000 0.501 423 P HA -0.081 nan 4.420 nan 0.000 0.254 423 P C -0.334 176.968 177.300 0.004 0.000 1.186 423 P CA 0.368 63.465 63.100 -0.005 0.000 0.868 423 P CB 0.341 32.036 31.700 -0.009 0.000 0.856 424 S N 3.828 119.531 115.700 0.005 0.000 3.988 424 S HA 0.061 4.529 4.470 -0.002 0.000 0.180 424 S C 0.803 175.410 174.600 0.011 0.000 1.242 424 S CA -0.678 57.528 58.200 0.010 0.000 0.947 424 S CB -1.403 61.796 63.200 -0.002 0.000 1.519 424 S HN 0.298 nan 8.310 nan 0.000 0.439 425 L N 2.056 123.291 121.223 0.019 0.000 2.796 425 L HA 0.582 4.920 4.340 -0.002 0.000 0.235 425 L C -0.011 176.903 176.870 0.072 0.000 1.344 425 L CA -0.104 54.745 54.840 0.015 0.000 1.245 425 L CB -1.197 40.853 42.059 -0.015 0.000 1.556 425 L HN 0.517 nan 8.230 nan 0.000 0.423 426 H N 0.143 119.163 119.070 -0.084 0.000 3.130 426 H HA 0.058 4.612 4.556 -0.003 0.000 0.318 426 H C 0.592 175.850 175.328 -0.116 0.000 1.411 426 H CA -0.185 55.794 56.048 -0.115 0.000 1.677 426 H CB 1.109 30.791 29.762 -0.135 0.000 2.441 426 H HN 0.453 nan 8.280 nan 0.000 0.409 427 R N 3.967 124.368 120.500 -0.166 0.000 2.211 427 R HA -0.088 4.251 4.340 -0.002 0.000 0.240 427 R C 0.605 176.715 176.300 -0.316 0.000 1.144 427 R CA 1.576 57.555 56.100 -0.201 0.000 0.992 427 R CB -0.053 30.149 30.300 -0.163 0.000 0.869 427 R HN 0.445 nan 8.270 nan 0.000 0.462 428 I N 1.463 121.669 120.570 -0.606 0.000 3.334 428 I HA -0.037 4.132 4.170 -0.002 0.000 0.282 428 I C 0.991 176.812 176.117 -0.493 0.000 1.313 428 I CA 0.823 61.741 61.300 -0.637 0.000 1.396 428 I CB -0.356 37.044 38.000 -1.001 0.000 1.054 428 I HN 0.219 nan 8.210 nan 0.000 0.495 429 S N -0.256 115.276 115.700 -0.281 0.000 2.528 429 S HA 0.235 4.704 4.470 -0.002 0.000 0.219 429 S C 0.974 175.563 174.600 -0.019 0.000 0.985 429 S CA 0.284 58.409 58.200 -0.125 0.000 0.914 429 S CB 0.257 63.455 63.200 -0.004 0.000 0.776 429 S HN 0.254 nan 8.310 nan 0.000 0.526 430 M N 1.456 121.013 119.600 -0.071 0.000 2.253 430 M HA 0.514 4.992 4.480 -0.002 0.000 0.314 430 M C -1.271 175.036 176.300 0.010 0.000 1.019 430 M CA 0.145 55.457 55.300 0.019 0.000 0.932 430 M CB 1.883 34.455 32.600 -0.046 0.000 1.606 430 M HN 0.101 nan 8.290 nan 0.000 0.430 431 M N 1.761 121.468 119.600 0.178 0.000 2.531 431 M HA 0.583 5.062 4.480 -0.002 0.000 0.286 431 M C -0.746 175.702 176.300 0.247 0.000 1.232 431 M CA -0.720 54.666 55.300 0.144 0.000 0.877 431 M CB 2.587 35.253 32.600 0.110 0.000 1.726 431 M HN 0.688 nan 8.290 nan 0.000 0.463 432 A N 2.207 125.064 122.820 0.061 0.000 2.310 432 A HA 0.490 4.809 4.320 -0.002 0.000 0.300 432 A C -0.891 176.695 177.584 0.004 0.000 1.269 432 A CA -0.204 51.868 52.037 0.058 0.000 0.909 432 A CB -0.175 18.812 19.000 -0.022 0.000 1.144 432 A HN 0.828 nan 8.150 nan 0.000 0.540 433 H N 1.622 120.674 119.070 -0.030 0.000 2.616 433 H HA 0.361 4.916 4.556 -0.002 0.000 0.353 433 H C -0.224 175.062 175.328 -0.070 0.000 1.170 433 H CA -0.768 55.233 56.048 -0.078 0.000 1.212 433 H CB 1.526 31.176 29.762 -0.187 0.000 1.653 433 H HN 0.626 nan 8.280 nan 0.000 0.537 434 R N 1.274 121.806 120.500 0.053 0.000 2.297 434 R HA 0.190 4.529 4.340 -0.002 0.000 0.308 434 R C -0.511 175.807 176.300 0.030 0.000 1.029 434 R CA -0.579 55.542 56.100 0.036 0.000 0.929 434 R CB 1.780 32.097 30.300 0.030 0.000 1.046 434 R HN 0.266 nan 8.270 nan 0.000 0.461 435 V N 3.666 123.602 119.914 0.037 0.000 2.583 435 V HA 0.221 4.340 4.120 -0.002 0.000 0.287 435 V C -0.081 176.041 176.094 0.048 0.000 1.051 435 V CA -0.061 62.258 62.300 0.032 0.000 1.010 435 V CB 1.117 32.980 31.823 0.066 0.000 0.988 435 V HN 0.691 nan 8.190 nan 0.000 0.478 436 R N 5.056 125.568 120.500 0.019 0.000 2.835 436 R HA 0.414 4.752 4.340 -0.002 0.000 0.290 436 R C -1.073 175.207 176.300 -0.034 0.000 1.410 436 R CA -0.380 55.728 56.100 0.013 0.000 1.590 436 R CB 0.391 30.690 30.300 -0.001 0.000 1.288 436 R HN 0.632 nan 8.270 nan 0.000 0.637 437 V N 5.015 124.906 119.914 -0.039 0.000 2.703 437 V HA -0.058 4.061 4.120 -0.002 0.000 0.300 437 V C 0.506 176.418 176.094 -0.303 0.000 1.063 437 V CA 0.961 63.151 62.300 -0.183 0.000 1.240 437 V CB -0.821 30.812 31.823 -0.318 0.000 0.845 437 V HN 0.538 nan 8.190 nan 0.000 0.476 438 L N 2.460 123.543 121.223 -0.232 0.000 2.469 438 L HA 0.698 5.036 4.340 -0.002 0.000 0.256 438 L C -0.371 176.389 176.870 -0.184 0.000 1.006 438 L CA -1.470 53.240 54.840 -0.216 0.000 0.832 438 L CB 2.300 44.281 42.059 -0.129 0.000 1.421 438 L HN 0.463 nan 8.230 nan 0.000 0.410 439 K N 1.309 121.610 120.400 -0.165 0.000 2.550 439 K HA 0.507 4.825 4.320 -0.002 0.000 0.280 439 K C 0.273 176.811 176.600 -0.103 0.000 0.987 439 K CA 0.681 56.891 56.287 -0.129 0.000 1.048 439 K CB -0.054 32.387 32.500 -0.098 0.000 0.879 439 K HN 1.025 nan 8.250 nan 0.000 0.491 440 G N 1.108 109.849 108.800 -0.099 0.000 2.316 440 G HA2 -0.007 3.952 3.960 -0.002 0.000 0.468 440 G HA3 -0.007 3.952 3.960 -0.002 0.000 0.468 440 G C -0.342 174.493 174.900 -0.109 0.000 1.523 440 G CA -1.024 44.022 45.100 -0.090 0.000 0.972 440 G HN 0.467 nan 8.290 nan 0.000 0.667 441 L N 0.523 121.682 121.223 -0.107 0.000 2.585 441 L HA 0.267 4.606 4.340 -0.002 0.000 0.226 441 L C 1.972 178.722 176.870 -0.200 0.000 1.113 441 L CA 1.098 55.855 54.840 -0.139 0.000 0.876 441 L CB 0.154 42.149 42.059 -0.107 0.000 1.072 441 L HN 0.886 nan 8.230 nan 0.000 0.468 442 T N -3.038 111.419 114.554 -0.163 0.000 2.889 442 T HA 0.392 4.740 4.350 -0.002 0.000 0.278 442 T C -0.386 174.229 174.700 -0.141 0.000 0.995 442 T CA -0.487 61.517 62.100 -0.161 0.000 0.966 442 T CB 1.153 70.008 68.868 -0.021 0.000 1.237 442 T HN -0.114 nan 8.240 nan 0.000 0.591 443 F N 1.449 121.441 119.950 0.070 0.000 2.411 443 F HA 0.514 5.039 4.527 -0.002 0.000 0.352 443 F C 0.751 176.637 175.800 0.144 0.000 1.123 443 F CA -1.430 56.651 58.000 0.135 0.000 1.044 443 F CB 1.379 40.540 39.000 0.268 0.000 1.135 443 F HN 0.251 nan 8.300 nan 0.000 0.461 444 R N 3.844 124.492 120.500 0.247 0.000 2.349 444 R HA 0.555 4.893 4.340 -0.002 0.000 0.299 444 R C -1.003 175.345 176.300 0.079 0.000 1.027 444 R CA -0.963 55.217 56.100 0.133 0.000 0.958 444 R CB 1.420 31.741 30.300 0.034 0.000 1.047 444 R HN 0.575 nan 8.270 nan 0.000 0.468 445 L N 1.145 122.478 121.223 0.184 0.000 2.354 445 L HA 0.450 4.788 4.340 -0.002 0.000 0.269 445 L C -0.405 176.580 176.870 0.192 0.000 1.005 445 L CA -0.453 54.502 54.840 0.193 0.000 0.819 445 L CB 2.017 44.278 42.059 0.337 0.000 1.311 445 L HN 0.713 nan 8.230 nan 0.000 0.423 446 N N 3.957 122.755 118.700 0.164 0.000 2.462 446 N HA 0.207 4.946 4.740 -0.002 0.000 0.242 446 N C 0.969 176.580 175.510 0.168 0.000 1.010 446 N CA -0.445 52.684 53.050 0.132 0.000 0.939 446 N CB 0.570 39.104 38.487 0.078 0.000 1.127 446 N HN 0.857 nan 8.380 nan 0.000 0.509 447 L N 3.094 124.447 121.223 0.216 0.000 2.318 447 L HA -0.402 3.937 4.340 -0.002 0.000 0.227 447 L C 1.970 178.929 176.870 0.148 0.000 1.110 447 L CA 1.666 56.663 54.840 0.263 0.000 0.840 447 L CB -0.609 41.653 42.059 0.337 0.000 0.913 447 L HN 0.721 nan 8.230 nan 0.000 0.451 448 L N -1.166 120.060 121.223 0.005 0.000 2.046 448 L HA -0.188 4.150 4.340 -0.002 0.000 0.208 448 L C 2.194 179.038 176.870 -0.044 0.000 1.077 448 L CA 1.018 55.769 54.840 -0.149 0.000 0.747 448 L CB -0.449 41.435 42.059 -0.291 0.000 0.896 448 L HN 0.106 nan 8.230 nan 0.000 0.432 449 V N -1.767 118.182 119.914 0.059 0.000 3.510 449 V HA -0.153 3.965 4.120 -0.002 0.000 0.270 449 V C 2.329 178.562 176.094 0.232 0.000 1.201 449 V CA 0.538 62.926 62.300 0.147 0.000 1.166 449 V CB -0.641 31.342 31.823 0.268 0.000 0.825 449 V HN 0.529 nan 8.190 nan 0.000 0.484 450 C N 0.451 119.854 119.300 0.171 0.000 2.413 450 C HA -0.107 4.351 4.460 -0.002 0.000 0.277 450 C C 0.774 175.832 174.990 0.113 0.000 1.228 450 C CA 1.404 60.507 59.018 0.142 0.000 1.731 450 C CB -1.749 26.043 27.740 0.086 0.000 2.042 450 C HN 0.455 nan 8.230 nan 0.000 0.468 451 P HA -0.181 nan 4.420 nan 0.000 0.216 451 P C -1.230 176.084 177.300 0.023 0.000 1.167 451 P CA 2.967 66.078 63.100 0.018 0.000 0.933 451 P CB -1.306 30.382 31.700 -0.019 0.000 0.793 452 P HA -0.229 nan 4.420 nan 0.000 0.215 452 P C 1.298 178.571 177.300 -0.046 0.000 1.163 452 P CA 1.971 65.035 63.100 -0.059 0.000 0.894 452 P CB -0.669 30.908 31.700 -0.206 0.000 0.791 453 Y N -0.759 119.561 120.300 0.033 0.000 2.114 453 Y HA -0.094 4.454 4.550 -0.002 0.000 0.284 453 Y C 1.161 177.050 175.900 -0.019 0.000 1.143 453 Y CA 1.632 59.738 58.100 0.011 0.000 1.135 453 Y CB -0.685 37.770 38.460 -0.009 0.000 0.980 453 Y HN 0.022 nan 8.280 nan 0.000 0.499 454 N N -0.746 118.029 118.700 0.125 0.000 3.251 454 N HA -0.114 4.625 4.740 -0.002 0.000 0.258 454 N C -1.591 173.901 175.510 -0.030 0.000 1.076 454 N CA 0.567 53.629 53.050 0.020 0.000 0.671 454 N CB -1.269 37.217 38.487 -0.001 0.000 1.089 454 N HN 0.358 nan 8.380 nan 0.000 0.583 455 A N 1.657 124.423 122.820 -0.091 0.000 2.410 455 A HA 0.549 4.867 4.320 -0.002 0.000 0.289 455 A C -0.411 176.878 177.584 -0.492 0.000 1.200 455 A CA -0.462 51.423 52.037 -0.253 0.000 0.751 455 A CB 0.582 19.415 19.000 -0.279 0.000 1.161 455 A HN 0.434 nan 8.150 nan 0.000 0.459 456 D N 0.319 120.474 120.400 -0.409 0.000 2.340 456 D HA 0.460 5.098 4.640 -0.002 0.000 0.251 456 D C -0.484 175.481 176.300 -0.557 0.000 1.080 456 D CA -0.870 52.871 54.000 -0.432 0.000 0.971 456 D CB 0.400 41.112 40.800 -0.148 0.000 1.137 456 D HN 0.256 nan 8.370 nan 0.000 0.475 457 F N -0.184 119.768 119.950 0.004 0.000 2.986 457 F HA 0.141 4.666 4.527 -0.003 0.000 0.297 457 F C 1.076 176.873 175.800 -0.004 0.000 1.210 457 F CA -0.664 57.337 58.000 0.002 0.000 1.346 457 F CB -0.026 38.977 39.000 0.005 0.000 1.007 457 F HN 0.272 nan 8.300 nan 0.000 0.512 458 D N -0.536 119.907 120.400 0.072 0.000 2.319 458 D HA 0.161 4.799 4.640 -0.002 0.000 0.230 458 D C 1.452 177.771 176.300 0.031 0.000 1.094 458 D CA 0.567 54.595 54.000 0.047 0.000 0.856 458 D CB 0.504 41.311 40.800 0.013 0.000 0.915 458 D HN 0.448 nan 8.370 nan 0.000 0.517 459 G N 0.595 109.418 108.800 0.038 0.000 2.148 459 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.120 459 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.120 459 G C -0.591 174.310 174.900 0.003 0.000 1.034 459 G CA -0.563 44.551 45.100 0.023 0.000 0.710 459 G HN 0.226 nan 8.290 nan 0.000 0.495 460 D N 0.667 121.060 120.400 -0.013 0.000 2.358 460 D HA 0.586 5.225 4.640 -0.002 0.000 0.244 460 D C 0.536 176.823 176.300 -0.022 0.000 1.163 460 D CA 0.377 54.349 54.000 -0.046 0.000 0.945 460 D CB 0.901 41.633 40.800 -0.114 0.000 1.152 460 D HN 0.410 nan 8.370 nan 0.000 0.451 461 E N 0.243 120.419 120.200 -0.039 0.000 2.293 461 E HA 0.494 4.843 4.350 -0.002 0.000 0.270 461 E C -0.641 175.910 176.600 -0.082 0.000 0.879 461 E CA -0.611 55.780 56.400 -0.015 0.000 0.756 461 E CB 2.214 31.912 29.700 -0.003 0.000 1.208 461 E HN 0.264 nan 8.360 nan 0.000 0.428 462 M N 1.612 121.149 119.600 -0.106 0.000 2.644 462 M HA 0.441 4.920 4.480 -0.002 0.000 0.304 462 M C -0.795 175.300 176.300 -0.342 0.000 1.215 462 M CA -1.085 54.001 55.300 -0.358 0.000 0.871 462 M CB 1.849 33.971 32.600 -0.797 0.000 1.740 462 M HN 0.349 nan 8.290 nan 0.000 0.464 463 N N 1.454 119.917 118.700 -0.395 0.000 2.489 463 N HA 0.613 5.351 4.740 -0.002 0.000 0.284 463 N C -1.558 173.719 175.510 -0.389 0.000 1.158 463 N CA -0.518 52.380 53.050 -0.254 0.000 0.965 463 N CB 1.319 39.768 38.487 -0.063 0.000 1.195 463 N HN 0.391 nan 8.380 nan 0.000 0.506 464 L N 1.376 122.458 121.223 -0.236 0.000 2.381 464 L HA 0.478 4.816 4.340 -0.002 0.000 0.268 464 L C -1.351 175.504 176.870 -0.025 0.000 0.997 464 L CA -0.574 54.192 54.840 -0.124 0.000 0.818 464 L CB 1.076 42.999 42.059 -0.228 0.000 1.310 464 L HN 0.634 nan 8.230 nan 0.000 0.416 465 H N 2.700 121.792 119.070 0.037 0.000 2.840 465 H HA 0.535 5.090 4.556 -0.002 0.000 0.340 465 H C -0.815 174.554 175.328 0.068 0.000 1.004 465 H CA -0.373 55.714 56.048 0.066 0.000 1.288 465 H CB 2.250 32.033 29.762 0.036 0.000 1.607 465 H HN 0.277 nan 8.280 nan 0.000 0.522 466 V N 6.340 126.374 119.914 0.200 0.000 2.304 466 V HA 0.246 4.364 4.120 -0.002 0.000 0.269 466 V C -2.037 174.007 176.094 -0.084 0.000 1.036 466 V CA -1.585 60.774 62.300 0.099 0.000 0.840 466 V CB 0.865 32.821 31.823 0.220 0.000 1.036 466 V HN 0.653 nan 8.190 nan 0.000 0.466 467 P HA 0.179 nan 4.420 nan 0.000 0.276 467 P C -0.013 177.163 177.300 -0.207 0.000 1.235 467 P CA -0.219 62.807 63.100 -0.123 0.000 0.772 467 P CB 1.535 33.201 31.700 -0.056 0.000 0.871 468 Q N 0.929 120.562 119.800 -0.278 0.000 2.163 468 Q HA 0.042 4.381 4.340 -0.002 0.000 0.198 468 Q C 0.680 176.595 176.000 -0.143 0.000 0.954 468 Q CA 0.996 56.630 55.803 -0.281 0.000 0.851 468 Q CB -0.442 28.087 28.738 -0.349 0.000 0.928 468 Q HN 0.483 nan 8.270 nan 0.000 0.459 469 S N 1.584 117.222 115.700 -0.103 0.000 2.585 469 S HA 0.063 4.531 4.470 -0.002 0.000 0.273 469 S C 1.017 175.593 174.600 -0.040 0.000 1.339 469 S CA -0.357 57.807 58.200 -0.060 0.000 1.028 469 S CB 0.902 64.072 63.200 -0.050 0.000 0.906 469 S HN 0.096 nan 8.310 nan 0.000 0.528 470 E N 1.488 121.675 120.200 -0.022 0.000 2.110 470 E HA -0.119 4.230 4.350 -0.002 0.000 0.193 470 E C 1.768 178.361 176.600 -0.012 0.000 0.988 470 E CA 1.332 57.727 56.400 -0.008 0.000 0.804 470 E CB -0.091 29.612 29.700 0.005 0.000 0.745 470 E HN 0.702 nan 8.360 nan 0.000 0.458 471 E N -0.008 120.181 120.200 -0.017 0.000 2.028 471 E HA -0.071 4.277 4.350 -0.002 0.000 0.190 471 E C 1.983 178.567 176.600 -0.026 0.000 0.984 471 E CA 1.015 57.404 56.400 -0.019 0.000 0.800 471 E CB -0.230 29.459 29.700 -0.019 0.000 0.758 471 E HN 0.251 nan 8.360 nan 0.000 0.448 472 A N 1.418 124.218 122.820 -0.034 0.000 1.869 472 A HA -0.278 4.041 4.320 -0.002 0.000 0.218 472 A C 2.342 179.905 177.584 -0.035 0.000 1.203 472 A CA 2.352 54.365 52.037 -0.040 0.000 0.638 472 A CB -1.180 17.788 19.000 -0.053 0.000 0.831 472 A HN 0.380 nan 8.150 nan 0.000 0.450 473 I N -1.091 119.459 120.570 -0.034 0.000 2.194 473 I HA -0.190 3.978 4.170 -0.002 0.000 0.246 473 I C 2.399 178.504 176.117 -0.020 0.000 1.093 473 I CA 1.825 63.111 61.300 -0.024 0.000 1.355 473 I CB -1.262 36.728 38.000 -0.018 0.000 1.046 473 I HN 0.235 nan 8.210 nan 0.000 0.413 474 A N 0.486 123.295 122.820 -0.019 0.000 1.841 474 A HA -0.191 4.127 4.320 -0.002 0.000 0.214 474 A C 2.367 179.936 177.584 -0.025 0.000 1.195 474 A CA 1.683 53.709 52.037 -0.018 0.000 0.611 474 A CB -1.090 17.901 19.000 -0.014 0.000 0.835 474 A HN 0.553 nan 8.150 nan 0.000 0.443 475 E N -0.640 119.543 120.200 -0.027 0.000 2.393 475 E HA -0.140 4.208 4.350 -0.002 0.000 0.201 475 E C 1.788 178.365 176.600 -0.039 0.000 1.025 475 E CA 0.784 57.164 56.400 -0.033 0.000 0.856 475 E CB -0.146 29.533 29.700 -0.035 0.000 0.771 475 E HN 0.627 nan 8.360 nan 0.000 0.526 476 A N 0.490 123.288 122.820 -0.036 0.000 1.909 476 A HA -0.013 4.306 4.320 -0.002 0.000 0.210 476 A C 1.913 179.470 177.584 -0.046 0.000 1.273 476 A CA 0.666 52.680 52.037 -0.039 0.000 0.654 476 A CB -0.231 18.753 19.000 -0.027 0.000 0.945 476 A HN 0.057 nan 8.150 nan 0.000 0.471 477 K N -0.174 120.204 120.400 -0.038 0.000 2.089 477 K HA -0.291 4.027 4.320 -0.002 0.000 0.210 477 K C 1.948 178.512 176.600 -0.060 0.000 1.048 477 K CA 2.204 58.464 56.287 -0.045 0.000 0.926 477 K CB -0.078 32.406 32.500 -0.027 0.000 0.714 477 K HN 0.476 nan 8.250 nan 0.000 0.448 478 E N 0.387 120.559 120.200 -0.046 0.000 2.042 478 E HA -0.036 4.312 4.350 -0.002 0.000 0.189 478 E C 1.908 178.477 176.600 -0.051 0.000 0.974 478 E CA 1.120 57.496 56.400 -0.041 0.000 0.806 478 E CB 0.003 29.688 29.700 -0.026 0.000 0.769 478 E HN 0.357 nan 8.360 nan 0.000 0.451 479 I N -0.290 120.248 120.570 -0.053 0.000 2.339 479 I HA -0.080 4.089 4.170 -0.002 0.000 0.245 479 I C 1.807 177.875 176.117 -0.082 0.000 1.096 479 I CA 0.870 62.135 61.300 -0.059 0.000 1.408 479 I CB -0.036 37.930 38.000 -0.057 0.000 1.092 479 I HN 0.151 nan 8.210 nan 0.000 0.423 480 M N 0.530 120.078 119.600 -0.086 0.000 2.419 480 M HA 0.202 4.680 4.480 -0.002 0.000 0.252 480 M C 0.474 176.695 176.300 -0.132 0.000 1.143 480 M CA -0.087 55.152 55.300 -0.102 0.000 0.985 480 M CB 0.518 33.074 32.600 -0.074 0.000 1.489 480 M HN 0.144 nan 8.290 nan 0.000 0.484 481 L N 0.176 121.303 121.223 -0.160 0.000 2.483 481 L HA 0.001 4.339 4.340 -0.002 0.000 0.277 481 L C 1.344 178.029 176.870 -0.307 0.000 1.248 481 L CA -0.170 54.532 54.840 -0.229 0.000 0.825 481 L CB 0.938 42.832 42.059 -0.274 0.000 1.096 481 L HN 0.018 nan 8.230 nan 0.000 0.512 482 V N 1.382 121.063 119.914 -0.389 0.000 2.232 482 V HA -0.318 3.800 4.120 -0.002 0.000 0.237 482 V C 2.205 178.128 176.094 -0.285 0.000 1.035 482 V CA 2.122 64.199 62.300 -0.372 0.000 0.988 482 V CB -1.245 30.318 31.823 -0.433 0.000 0.636 482 V HN 1.097 nan 8.190 nan 0.000 0.456 483 H N 0.605 119.595 119.070 -0.132 0.000 2.550 483 H HA -0.172 4.382 4.556 -0.002 0.000 0.292 483 H C 1.758 177.038 175.328 -0.079 0.000 1.072 483 H CA 1.901 57.890 56.048 -0.097 0.000 1.217 483 H CB -0.626 29.095 29.762 -0.068 0.000 1.355 483 H HN 0.427 nan 8.280 nan 0.000 0.586 484 K N -0.234 120.084 120.400 -0.137 0.000 2.400 484 K HA 0.049 4.368 4.320 -0.002 0.000 0.194 484 K C 0.179 176.740 176.600 -0.065 0.000 1.033 484 K CA 0.394 56.668 56.287 -0.021 0.000 1.021 484 K CB 0.328 32.773 32.500 -0.091 0.000 0.808 484 K HN 0.278 nan 8.250 nan 0.000 0.505 485 N N 0.616 119.244 118.700 -0.119 0.000 2.467 485 N HA 0.140 4.879 4.740 -0.002 0.000 0.278 485 N C 0.265 175.683 175.510 -0.153 0.000 1.306 485 N CA -0.057 52.905 53.050 -0.146 0.000 0.905 485 N CB 0.471 38.851 38.487 -0.177 0.000 1.236 485 N HN 0.087 nan 8.380 nan 0.000 0.509 486 I N 0.291 120.793 120.570 -0.113 0.000 3.176 486 I HA 0.026 4.195 4.170 -0.002 0.000 0.275 486 I C -0.822 175.197 176.117 -0.163 0.000 1.298 486 I CA 0.704 61.933 61.300 -0.118 0.000 1.445 486 I CB 0.254 38.214 38.000 -0.067 0.000 1.075 486 I HN -0.003 nan 8.210 nan 0.000 0.482 487 I N -0.830 119.629 120.570 -0.185 0.000 2.439 487 I HA 0.265 4.434 4.170 -0.002 0.000 0.283 487 I C 0.215 176.198 176.117 -0.223 0.000 1.023 487 I CA -0.706 60.454 61.300 -0.233 0.000 1.100 487 I CB 0.662 38.504 38.000 -0.263 0.000 1.238 487 I HN -0.291 nan 8.210 nan 0.000 0.445 488 T N 8.818 123.247 114.554 -0.209 0.000 2.800 488 T HA 0.051 4.400 4.350 -0.002 0.000 0.283 488 T C -1.230 173.330 174.700 -0.234 0.000 0.999 488 T CA 0.028 62.003 62.100 -0.208 0.000 1.176 488 T CB 0.424 69.182 68.868 -0.182 0.000 0.973 488 T HN 0.546 nan 8.240 nan 0.000 0.519 489 P HA -0.041 nan 4.420 nan 0.000 0.237 489 P C 1.125 178.214 177.300 -0.352 0.000 1.178 489 P CA 0.579 63.491 63.100 -0.313 0.000 0.766 489 P CB 0.362 31.960 31.700 -0.170 0.000 0.876 490 R N -0.182 120.142 120.500 -0.292 0.000 2.048 490 R HA -0.003 4.336 4.340 -0.002 0.000 0.221 490 R C 2.178 178.392 176.300 -0.143 0.000 1.174 490 R CA 0.778 56.705 56.100 -0.289 0.000 0.971 490 R CB -0.662 29.349 30.300 -0.483 0.000 0.863 490 R HN 0.107 nan 8.270 nan 0.000 0.439 491 Y N -0.243 119.972 120.300 -0.142 0.000 2.519 491 Y HA 0.206 4.755 4.550 -0.003 0.000 0.287 491 Y C 1.147 176.890 175.900 -0.262 0.000 1.128 491 Y CA -0.118 57.883 58.100 -0.165 0.000 1.282 491 Y CB 0.610 38.983 38.460 -0.146 0.000 1.027 491 Y HN 0.555 nan 8.280 nan 0.000 0.551 492 G N 1.026 109.746 108.800 -0.134 0.000 2.225 492 G HA2 -0.089 3.870 3.960 -0.002 0.000 0.264 492 G HA3 -0.089 3.870 3.960 -0.002 0.000 0.264 492 G C 0.134 174.869 174.900 -0.275 0.000 1.060 492 G CA 0.079 45.053 45.100 -0.211 0.000 0.833 492 G HN 0.697 nan 8.290 nan 0.000 0.498 493 G N -0.914 107.729 108.800 -0.262 0.000 2.684 493 G HA2 0.834 4.792 3.960 -0.002 0.000 0.290 493 G HA3 0.834 4.792 3.960 -0.002 0.000 0.290 493 G C -3.014 171.676 174.900 -0.350 0.000 1.425 493 G CA -0.661 44.225 45.100 -0.357 0.000 0.822 493 G HN 0.255 nan 8.290 nan 0.000 0.482 494 P HA 0.062 nan 4.420 nan 0.000 0.264 494 P C 0.754 177.938 177.300 -0.192 0.000 1.236 494 P CA 0.041 62.950 63.100 -0.318 0.000 0.811 494 P CB 0.998 32.499 31.700 -0.332 0.000 0.840 495 I N 3.514 123.988 120.570 -0.161 0.000 3.059 495 I HA 0.068 4.237 4.170 -0.002 0.000 0.270 495 I C 0.633 176.686 176.117 -0.107 0.000 1.238 495 I CA 0.258 61.495 61.300 -0.104 0.000 1.478 495 I CB 0.340 38.285 38.000 -0.092 0.000 1.097 495 I HN 0.159 nan 8.210 nan 0.000 0.455 496 I N 1.970 122.459 120.570 -0.136 0.000 2.313 496 I HA 0.311 4.480 4.170 -0.002 0.000 0.286 496 I C 0.612 176.616 176.117 -0.188 0.000 1.091 496 I CA -0.443 60.776 61.300 -0.136 0.000 1.216 496 I CB 0.545 38.470 38.000 -0.125 0.000 1.434 496 I HN 0.055 nan 8.210 nan 0.000 0.487 497 G N 3.354 112.033 108.800 -0.202 0.000 2.990 497 G HA2 0.790 4.749 3.960 -0.002 0.000 0.208 497 G HA3 0.790 4.749 3.960 -0.002 0.000 0.208 497 G C -0.220 174.438 174.900 -0.404 0.000 1.334 497 G CA -0.316 44.618 45.100 -0.276 0.000 1.024 497 G HN 0.564 nan 8.290 nan 0.000 0.574 498 A N -1.637 120.910 122.820 -0.455 0.000 2.336 498 A HA 0.821 5.139 4.320 -0.002 0.000 0.278 498 A C 1.016 178.503 177.584 -0.160 0.000 1.371 498 A CA 0.923 52.656 52.037 -0.506 0.000 0.842 498 A CB 0.392 19.093 19.000 -0.499 0.000 1.363 498 A HN 1.735 nan 8.150 nan 0.000 0.517 499 A N -2.819 120.027 122.820 0.044 0.000 1.795 499 A HA 0.412 4.731 4.320 -0.002 0.000 0.182 499 A C 1.377 178.977 177.584 0.027 0.000 2.073 499 A CA 0.849 52.922 52.037 0.060 0.000 1.402 499 A CB -0.270 18.808 19.000 0.130 0.000 0.977 499 A HN 0.811 nan 8.150 nan 0.000 0.648 500 Q N -1.425 118.380 119.800 0.008 0.000 2.061 500 Q HA 0.142 4.481 4.340 -0.002 0.000 0.159 500 Q C 0.780 176.722 176.000 -0.096 0.000 0.530 500 Q CA 0.447 56.233 55.803 -0.028 0.000 0.728 500 Q CB -0.470 28.257 28.738 -0.019 0.000 1.004 500 Q HN 0.222 nan 8.270 nan 0.000 0.426 501 D N 1.124 121.405 120.400 -0.200 0.000 2.191 501 D HA -0.205 4.433 4.640 -0.002 0.000 0.190 501 D C 1.879 178.042 176.300 -0.229 0.000 1.007 501 D CA 2.023 55.851 54.000 -0.288 0.000 0.865 501 D CB -0.476 40.091 40.800 -0.389 0.000 0.929 501 D HN 0.278 nan 8.370 nan 0.000 0.447 502 Y N 0.652 120.884 120.300 -0.114 0.000 2.070 502 Y HA -0.121 4.428 4.550 -0.002 0.000 0.280 502 Y C 2.391 178.124 175.900 -0.279 0.000 1.148 502 Y CA 1.025 58.993 58.100 -0.219 0.000 1.125 502 Y CB -0.989 37.285 38.460 -0.309 0.000 0.975 502 Y HN 0.104 nan 8.280 nan 0.000 0.492 503 I N -1.950 118.616 120.570 -0.007 0.000 3.241 503 I HA -0.074 4.094 4.170 -0.002 0.000 0.280 503 I C 1.752 177.925 176.117 0.094 0.000 1.320 503 I CA 1.698 62.998 61.300 -0.001 0.000 1.413 503 I CB -0.138 37.852 38.000 -0.017 0.000 1.060 503 I HN 0.158 nan 8.210 nan 0.000 0.500 504 S N 0.122 115.870 115.700 0.079 0.000 2.520 504 S HA 0.299 4.767 4.470 -0.002 0.000 0.219 504 S C 1.755 176.440 174.600 0.142 0.000 1.028 504 S CA 0.429 58.695 58.200 0.111 0.000 0.921 504 S CB 0.105 63.190 63.200 -0.191 0.000 0.844 504 S HN 0.609 nan 8.310 nan 0.000 0.495 505 G N 1.278 110.206 108.800 0.213 0.000 2.411 505 G HA2 0.235 4.194 3.960 -0.002 0.000 0.213 505 G HA3 0.235 4.194 3.960 -0.002 0.000 0.213 505 G C 1.518 176.797 174.900 0.632 0.000 1.166 505 G CA 0.700 46.052 45.100 0.420 0.000 0.802 505 G HN 0.601 nan 8.290 nan 0.000 0.533 506 A N 1.041 124.324 122.820 0.771 0.000 2.127 506 A HA -0.144 4.175 4.320 -0.002 0.000 0.225 506 A C 1.364 179.278 177.584 0.551 0.000 1.543 506 A CA 1.546 54.068 52.037 0.809 0.000 0.873 506 A CB -1.655 17.686 19.000 0.567 0.000 0.808 506 A HN 0.899 nan 8.150 nan 0.000 0.510 507 Y N -2.366 118.088 120.300 0.256 0.000 2.346 507 Y HA 0.519 5.068 4.550 -0.002 0.000 0.330 507 Y C 0.743 176.756 175.900 0.188 0.000 1.178 507 Y CA -0.484 57.719 58.100 0.173 0.000 1.331 507 Y CB 0.522 39.078 38.460 0.161 0.000 1.253 507 Y HN 0.476 nan 8.280 nan 0.000 0.529 508 L N 1.510 122.796 121.223 0.106 0.000 1.591 508 L HA -0.229 4.110 4.340 -0.002 0.000 0.501 508 L C 0.921 177.775 176.870 -0.026 0.000 0.751 508 L CA 0.368 55.312 54.840 0.174 0.000 2.754 508 L CB -0.956 41.315 42.059 0.352 0.000 0.988 508 L HN 0.718 nan 8.230 nan 0.000 0.641 509 L N -0.024 120.996 121.223 -0.339 0.000 2.515 509 L HA 0.154 4.492 4.340 -0.002 0.000 0.223 509 L C 2.008 178.653 176.870 -0.376 0.000 1.079 509 L CA 1.840 56.179 54.840 -0.835 0.000 0.857 509 L CB 0.450 42.003 42.059 -0.844 0.000 1.050 509 L HN 0.425 nan 8.230 nan 0.000 0.476 510 T N -3.302 111.175 114.554 -0.129 0.000 2.990 510 T HA 0.175 4.523 4.350 -0.002 0.000 0.249 510 T C 0.745 175.481 174.700 0.060 0.000 1.039 510 T CA 0.471 62.538 62.100 -0.056 0.000 1.036 510 T CB -0.740 68.108 68.868 -0.033 0.000 0.994 510 T HN 0.069 nan 8.240 nan 0.000 0.489 511 V N 1.397 121.393 119.914 0.136 0.000 3.332 511 V HA 0.280 4.398 4.120 -0.002 0.000 0.305 511 V C 1.447 177.612 176.094 0.117 0.000 1.114 511 V CA -0.523 61.882 62.300 0.174 0.000 1.194 511 V CB 0.258 32.213 31.823 0.219 0.000 1.027 511 V HN 0.321 nan 8.190 nan 0.000 0.492 512 K N 1.194 121.670 120.400 0.127 0.000 2.032 512 K HA -0.126 4.192 4.320 -0.002 0.000 0.209 512 K C 2.107 178.749 176.600 0.071 0.000 1.048 512 K CA 1.989 58.330 56.287 0.090 0.000 0.927 512 K CB -0.731 31.826 32.500 0.095 0.000 0.712 512 K HN 0.891 nan 8.250 nan 0.000 0.441 513 T N 1.364 115.974 114.554 0.093 0.000 2.778 513 T HA -0.180 4.169 4.350 -0.002 0.000 0.269 513 T C 1.552 176.294 174.700 0.069 0.000 1.050 513 T CA 1.769 63.913 62.100 0.073 0.000 1.137 513 T CB -0.563 68.367 68.868 0.104 0.000 0.860 513 T HN 0.383 nan 8.240 nan 0.000 0.468 514 T N 1.281 115.887 114.554 0.087 0.000 2.275 514 T HA -0.144 4.205 4.350 -0.002 0.000 0.215 514 T C 0.709 175.471 174.700 0.103 0.000 1.557 514 T CA 1.005 63.169 62.100 0.106 0.000 1.287 514 T CB -0.623 68.260 68.868 0.025 0.000 0.868 514 T HN 0.362 nan 8.240 nan 0.000 0.385 515 L N 0.226 121.502 121.223 0.088 0.000 2.719 515 L HA -0.071 4.268 4.340 -0.002 0.000 0.708 515 L C -1.045 176.008 176.870 0.305 0.000 1.102 515 L CA -0.262 54.648 54.840 0.116 0.000 1.378 515 L CB -1.061 40.941 42.059 -0.095 0.000 2.051 515 L HN 0.253 nan 8.230 nan 0.000 0.945 516 L N 3.036 124.451 121.223 0.319 0.000 2.416 516 L HA 0.384 4.722 4.340 -0.002 0.000 0.272 516 L C 1.360 178.470 176.870 0.400 0.000 1.161 516 L CA 0.686 55.735 54.840 0.348 0.000 0.845 516 L CB 0.872 43.080 42.059 0.250 0.000 1.119 516 L HN 0.526 nan 8.230 nan 0.000 0.464 517 T N 2.775 117.482 114.554 0.254 0.000 2.788 517 T HA 0.155 4.504 4.350 -0.002 0.000 0.287 517 T C 1.380 176.147 174.700 0.112 0.000 1.007 517 T CA -0.596 61.507 62.100 0.005 0.000 1.005 517 T CB 0.728 69.598 68.868 0.005 0.000 1.012 517 T HN 0.572 nan 8.240 nan 0.000 0.530 518 K N 1.070 121.476 120.400 0.011 0.000 2.057 518 K HA -0.069 4.249 4.320 -0.002 0.000 0.206 518 K C 1.955 178.624 176.600 0.115 0.000 1.050 518 K CA 1.239 57.627 56.287 0.169 0.000 0.935 518 K CB -0.005 32.510 32.500 0.025 0.000 0.715 518 K HN 0.576 nan 8.250 nan 0.000 0.439 519 E N 1.588 121.817 120.200 0.048 0.000 2.016 519 E HA -0.152 4.197 4.350 -0.002 0.000 0.190 519 E C 2.124 178.757 176.600 0.055 0.000 0.985 519 E CA 0.977 57.402 56.400 0.041 0.000 0.802 519 E CB -0.017 29.696 29.700 0.023 0.000 0.762 519 E HN 0.317 nan 8.360 nan 0.000 0.448 520 E N 0.897 121.139 120.200 0.070 0.000 2.086 520 E HA -0.320 4.028 4.350 -0.002 0.000 0.205 520 E C 2.068 178.723 176.600 0.092 0.000 1.027 520 E CA 1.297 57.753 56.400 0.094 0.000 0.830 520 E CB -0.286 29.496 29.700 0.137 0.000 0.751 520 E HN 0.240 nan 8.360 nan 0.000 0.456 521 A N 1.285 124.159 122.820 0.090 0.000 1.848 521 A HA -0.344 3.974 4.320 -0.002 0.000 0.217 521 A C 2.093 179.660 177.584 -0.027 0.000 1.220 521 A CA 2.155 54.196 52.037 0.006 0.000 0.645 521 A CB -0.930 18.012 19.000 -0.097 0.000 0.842 521 A HN 0.270 nan 8.150 nan 0.000 0.451 522 Q N -1.317 118.467 119.800 -0.026 0.000 2.297 522 Q HA -0.255 4.083 4.340 -0.002 0.000 0.208 522 Q C 2.290 178.297 176.000 0.011 0.000 0.981 522 Q CA 1.624 57.415 55.803 -0.020 0.000 0.876 522 Q CB -0.123 28.612 28.738 -0.006 0.000 0.921 522 Q HN 0.827 nan 8.270 nan 0.000 0.446 523 Q N 0.426 120.243 119.800 0.028 0.000 2.079 523 Q HA -0.059 4.279 4.340 -0.002 0.000 0.200 523 Q C 0.349 176.379 176.000 0.049 0.000 0.974 523 Q CA 0.479 56.305 55.803 0.039 0.000 0.840 523 Q CB 0.184 28.949 28.738 0.045 0.000 0.898 523 Q HN 0.348 nan 8.270 nan 0.000 0.430 524 I N 2.485 123.090 120.570 0.058 0.000 2.800 524 I HA -0.117 4.052 4.170 -0.002 0.000 0.309 524 I C -0.210 175.943 176.117 0.061 0.000 1.182 524 I CA 0.401 61.745 61.300 0.073 0.000 1.794 524 I CB 0.015 38.062 38.000 0.079 0.000 1.548 524 I HN 0.304 nan 8.210 nan 0.000 0.850 525 L N 4.663 125.925 121.223 0.065 0.000 3.088 525 L HA 0.229 4.568 4.340 -0.002 0.000 0.337 525 L C 1.320 178.233 176.870 0.072 0.000 1.293 525 L CA 0.253 55.138 54.840 0.076 0.000 0.784 525 L CB 0.861 42.956 42.059 0.058 0.000 1.215 525 L HN 0.463 nan 8.230 nan 0.000 0.581 526 G N 0.251 109.090 108.800 0.064 0.000 3.094 526 G HA2 0.140 4.098 3.960 -0.002 0.000 0.208 526 G HA3 0.140 4.098 3.960 -0.002 0.000 0.208 526 G C 0.450 175.377 174.900 0.045 0.000 1.189 526 G CA 0.149 45.280 45.100 0.053 0.000 0.856 526 G HN 0.136 nan 8.290 nan 0.000 0.510 527 V N 0.796 120.750 119.914 0.067 0.000 2.498 527 V HA 0.543 4.662 4.120 -0.002 0.000 0.279 527 V C 1.117 177.290 176.094 0.132 0.000 1.048 527 V CA -0.393 61.951 62.300 0.074 0.000 0.967 527 V CB 0.698 32.623 31.823 0.171 0.000 0.988 527 V HN 0.353 nan 8.190 nan 0.000 0.473 528 A N 3.521 126.422 122.820 0.136 0.000 3.707 528 A HA -0.013 4.306 4.320 -0.002 0.000 0.150 528 A C 1.807 179.557 177.584 0.277 0.000 1.404 528 A CA 1.079 53.224 52.037 0.180 0.000 0.977 528 A CB -0.762 18.338 19.000 0.166 0.000 1.174 528 A HN 0.872 nan 8.150 nan 0.000 0.547 529 D N -0.659 119.943 120.400 0.337 0.000 2.432 529 D HA -0.154 4.485 4.640 -0.002 0.000 0.200 529 D C 0.845 177.291 176.300 0.243 0.000 1.021 529 D CA 1.122 55.262 54.000 0.233 0.000 0.936 529 D CB -0.857 39.969 40.800 0.043 0.000 0.881 529 D HN 0.300 nan 8.370 nan 0.000 0.459 530 V N 1.422 121.652 119.914 0.526 0.000 2.864 530 V HA -0.228 3.890 4.120 -0.002 0.000 0.275 530 V C 1.432 177.633 176.094 0.179 0.000 0.972 530 V CA 0.734 63.324 62.300 0.483 0.000 1.176 530 V CB -0.411 31.705 31.823 0.488 0.000 0.838 530 V HN 0.248 nan 8.190 nan 0.000 0.454 531 K N 5.022 125.460 120.400 0.064 0.000 2.207 531 K HA -0.237 4.082 4.320 -0.002 0.000 0.208 531 K C 1.476 178.079 176.600 0.005 0.000 1.046 531 K CA 2.124 58.408 56.287 -0.004 0.000 0.929 531 K CB -0.201 32.267 32.500 -0.053 0.000 0.720 531 K HN 0.857 nan 8.250 nan 0.000 0.463 532 I N -0.897 119.679 120.570 0.009 0.000 5.442 532 I HA -0.308 3.861 4.170 -0.002 0.000 0.157 532 I C -0.698 175.394 176.117 -0.042 0.000 1.809 532 I CA 0.230 61.522 61.300 -0.014 0.000 1.642 532 I CB -1.095 36.910 38.000 0.007 0.000 3.315 532 I HN 0.238 nan 8.210 nan 0.000 0.201 533 D N 4.089 124.464 120.400 -0.043 0.000 3.167 533 D HA -0.024 4.614 4.640 -0.002 0.000 0.232 533 D C 0.654 176.920 176.300 -0.056 0.000 1.231 533 D CA 0.635 54.608 54.000 -0.044 0.000 0.845 533 D CB 0.289 41.062 40.800 -0.046 0.000 1.157 533 D HN 0.168 nan 8.370 nan 0.000 0.576 534 L N 2.053 123.252 121.223 -0.040 0.000 3.038 534 L HA -0.132 4.207 4.340 -0.002 0.000 0.378 534 L C 0.530 177.374 176.870 -0.044 0.000 1.257 534 L CA 1.277 56.096 54.840 -0.035 0.000 0.809 534 L CB -0.098 41.957 42.059 -0.006 0.000 1.026 534 L HN 0.482 nan 8.230 nan 0.000 0.639 535 G N 4.452 113.224 108.800 -0.046 0.000 2.530 535 G HA2 0.476 4.435 3.960 -0.002 0.000 0.316 535 G HA3 0.476 4.435 3.960 -0.002 0.000 0.316 535 G C -0.881 174.112 174.900 0.155 0.000 1.298 535 G CA -0.559 44.526 45.100 -0.024 0.000 0.948 535 G HN 0.746 nan 8.290 nan 0.000 0.486 536 E N 2.833 123.121 120.200 0.147 0.000 2.044 536 E HA 0.216 4.564 4.350 -0.002 0.000 0.282 536 E C -2.046 174.667 176.600 0.189 0.000 1.031 536 E CA -1.374 55.118 56.400 0.154 0.000 0.824 536 E CB 1.119 30.864 29.700 0.076 0.000 1.076 536 E HN 0.259 nan 8.360 nan 0.000 0.395 537 P HA -0.244 nan 4.420 nan 0.000 0.265 537 P C -0.130 177.168 177.300 -0.003 0.000 1.132 537 P CA 0.505 63.520 63.100 -0.140 0.000 0.752 537 P CB 0.584 32.124 31.700 -0.265 0.000 0.728 538 A N 4.558 127.392 122.820 0.023 0.000 1.956 538 A HA 0.055 4.374 4.320 -0.002 0.000 0.212 538 A C 0.915 178.512 177.584 0.022 0.000 1.188 538 A CA 0.820 52.892 52.037 0.058 0.000 0.675 538 A CB 0.032 19.094 19.000 0.104 0.000 0.845 538 A HN 0.477 nan 8.150 nan 0.000 0.455 539 I N 1.829 122.399 120.570 0.000 0.000 2.287 539 I HA 0.233 4.402 4.170 -0.002 0.000 0.290 539 I C 0.530 176.646 176.117 -0.001 0.000 1.069 539 I CA 0.079 61.393 61.300 0.024 0.000 1.237 539 I CB 0.668 38.726 38.000 0.096 0.000 1.418 539 I HN 0.262 nan 8.210 nan 0.000 0.481 540 L N 4.261 125.484 121.223 -0.002 0.000 2.425 540 L HA 0.183 4.521 4.340 -0.002 0.000 0.215 540 L C 2.030 178.903 176.870 0.006 0.000 1.065 540 L CA 0.255 55.089 54.840 -0.010 0.000 0.842 540 L CB -0.038 42.016 42.059 -0.009 0.000 1.033 540 L HN 0.633 nan 8.230 nan 0.000 0.474 541 A N 1.246 124.074 122.820 0.013 0.000 3.281 541 A HA 0.012 4.331 4.320 -0.002 0.000 0.207 541 A C -1.732 175.868 177.584 0.026 0.000 0.770 541 A CA 0.075 52.121 52.037 0.015 0.000 1.301 541 A CB -1.878 17.128 19.000 0.010 0.000 0.990 541 A HN 0.080 nan 8.150 nan 0.000 0.528 542 P HA 0.254 nan 4.420 nan 0.000 0.265 542 P C 0.529 177.885 177.300 0.093 0.000 1.187 542 P CA 0.477 63.604 63.100 0.044 0.000 0.766 542 P CB 0.280 32.000 31.700 0.033 0.000 0.820 543 R N 1.031 121.582 120.500 0.086 0.000 3.465 543 R HA -0.200 4.138 4.340 -0.002 0.000 0.615 543 R C -0.527 175.808 176.300 0.057 0.000 0.241 543 R CA 1.281 57.436 56.100 0.092 0.000 1.893 543 R CB -0.498 29.936 30.300 0.223 0.000 0.874 543 R HN 0.487 nan 8.270 nan 0.000 0.619 544 E N 0.321 120.463 120.200 -0.097 0.000 2.199 544 E HA 0.416 4.765 4.350 -0.002 0.000 0.265 544 E C -1.267 175.053 176.600 -0.466 0.000 0.882 544 E CA -0.313 55.957 56.400 -0.216 0.000 0.759 544 E CB 1.597 31.138 29.700 -0.265 0.000 1.148 544 E HN 0.363 nan 8.360 nan 0.000 0.412 545 Y N 0.694 120.808 120.300 -0.309 0.000 2.670 545 Y HA 0.417 4.965 4.550 -0.003 0.000 0.334 545 Y C -1.149 174.497 175.900 -0.423 0.000 1.185 545 Y CA -0.940 56.974 58.100 -0.309 0.000 1.053 545 Y CB 1.586 39.990 38.460 -0.094 0.000 1.298 545 Y HN 0.327 nan 8.280 nan 0.000 0.459 546 Y N -0.829 119.585 120.300 0.189 0.000 2.433 546 Y HA 0.525 5.073 4.550 -0.003 0.000 0.337 546 Y C -0.167 175.780 175.900 0.079 0.000 1.026 546 Y CA -1.660 56.493 58.100 0.088 0.000 1.037 546 Y CB 1.409 39.887 38.460 0.030 0.000 1.245 546 Y HN 0.524 nan 8.280 nan 0.000 0.443 547 T N -1.772 112.896 114.554 0.189 0.000 2.899 547 T HA 0.330 4.678 4.350 -0.002 0.000 0.295 547 T C 1.372 176.092 174.700 0.033 0.000 1.033 547 T CA -0.124 62.034 62.100 0.097 0.000 1.084 547 T CB 1.518 70.417 68.868 0.053 0.000 0.979 547 T HN 0.941 nan 8.240 nan 0.000 0.532 548 G N 0.660 109.432 108.800 -0.046 0.000 2.442 548 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.219 548 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.219 548 G C 1.343 176.140 174.900 -0.172 0.000 1.141 548 G CA 0.363 45.363 45.100 -0.167 0.000 0.763 548 G HN 0.803 nan 8.290 nan 0.000 0.554 549 K N -0.208 120.125 120.400 -0.111 0.000 2.362 549 K HA -0.168 4.150 4.320 -0.002 0.000 0.202 549 K C 2.387 178.933 176.600 -0.089 0.000 1.045 549 K CA 1.343 57.568 56.287 -0.103 0.000 0.936 549 K CB -0.038 32.449 32.500 -0.021 0.000 0.747 549 K HN 0.425 nan 8.250 nan 0.000 0.467 550 Q N 0.562 120.321 119.800 -0.069 0.000 1.937 550 Q HA -0.093 4.246 4.340 -0.002 0.000 0.198 550 Q C 1.982 177.895 176.000 -0.145 0.000 0.977 550 Q CA 1.251 57.016 55.803 -0.063 0.000 0.836 550 Q CB -0.319 28.417 28.738 -0.003 0.000 0.899 550 Q HN 0.116 nan 8.270 nan 0.000 0.437 551 V N 1.249 121.050 119.914 -0.189 0.000 2.243 551 V HA -0.370 3.748 4.120 -0.002 0.000 0.258 551 V C 2.221 178.128 176.094 -0.313 0.000 1.073 551 V CA 2.691 64.829 62.300 -0.270 0.000 1.069 551 V CB -0.798 30.877 31.823 -0.247 0.000 0.681 551 V HN 0.668 nan 8.190 nan 0.000 0.457 552 I N -0.298 120.127 120.570 -0.242 0.000 2.361 552 I HA -0.108 4.060 4.170 -0.002 0.000 0.251 552 I C 2.421 178.483 176.117 -0.092 0.000 1.133 552 I CA 2.308 63.533 61.300 -0.125 0.000 1.413 552 I CB -1.340 36.487 38.000 -0.288 0.000 1.073 552 I HN 0.288 nan 8.210 nan 0.000 0.424 553 S N 0.420 116.051 115.700 -0.114 0.000 2.571 553 S HA 0.055 4.523 4.470 -0.002 0.000 0.245 553 S C 1.943 176.510 174.600 -0.055 0.000 0.976 553 S CA 0.910 59.094 58.200 -0.028 0.000 0.954 553 S CB -0.648 62.541 63.200 -0.018 0.000 0.756 553 S HN 0.730 nan 8.310 nan 0.000 0.535 554 A N -0.389 122.318 122.820 -0.188 0.000 2.095 554 A HA 0.356 4.674 4.320 -0.002 0.000 0.212 554 A C 1.241 178.718 177.584 -0.178 0.000 1.162 554 A CA 0.147 52.029 52.037 -0.259 0.000 0.753 554 A CB -0.364 18.359 19.000 -0.461 0.000 0.840 554 A HN 0.564 nan 8.150 nan 0.000 0.468 555 F N 0.183 120.177 119.950 0.074 0.000 2.797 555 F HA 0.341 4.867 4.527 -0.002 0.000 0.302 555 F C 0.515 176.452 175.800 0.228 0.000 1.130 555 F CA -0.066 58.040 58.000 0.178 0.000 1.387 555 F CB -0.196 38.750 39.000 -0.090 0.000 1.107 555 F HN -0.005 nan 8.300 nan 0.000 0.577 556 L N 1.417 122.787 121.223 0.245 0.000 2.307 556 L HA 0.369 4.708 4.340 -0.002 0.000 0.282 556 L C -2.184 174.700 176.870 0.022 0.000 1.051 556 L CA -2.106 52.818 54.840 0.140 0.000 0.804 556 L CB 1.107 43.275 42.059 0.182 0.000 1.197 556 L HN -0.274 nan 8.230 nan 0.000 0.431 557 P HA -0.017 nan 4.420 nan 0.000 0.263 557 P C -0.037 177.265 177.300 0.004 0.000 1.195 557 P CA -0.310 62.654 63.100 -0.227 0.000 0.762 557 P CB 0.292 31.677 31.700 -0.525 0.000 0.799 558 K N 2.324 122.722 120.400 -0.004 0.000 2.640 558 K HA -0.143 4.175 4.320 -0.002 0.000 0.193 558 K C 0.340 176.967 176.600 0.046 0.000 1.036 558 K CA 1.136 57.440 56.287 0.029 0.000 0.962 558 K CB -0.403 32.099 32.500 0.004 0.000 0.791 558 K HN 0.468 nan 8.250 nan 0.000 0.491 559 D N -0.463 119.993 120.400 0.094 0.000 2.582 559 D HA -0.003 4.635 4.640 -0.002 0.000 0.246 559 D C -0.813 175.582 176.300 0.158 0.000 1.334 559 D CA -0.703 53.344 54.000 0.079 0.000 0.805 559 D CB -0.304 40.543 40.800 0.079 0.000 1.087 559 D HN 0.057 nan 8.370 nan 0.000 0.499 560 F N 1.875 121.856 119.950 0.051 0.000 2.394 560 F HA 0.525 5.051 4.527 -0.002 0.000 0.340 560 F C -0.737 175.099 175.800 0.059 0.000 1.105 560 F CA -0.453 57.612 58.000 0.110 0.000 1.124 560 F CB 0.853 39.940 39.000 0.146 0.000 1.145 560 F HN -0.217 nan 8.300 nan 0.000 0.505 561 N N 5.616 123.954 118.700 -0.603 0.000 2.260 561 N HA 0.568 5.307 4.740 -0.002 0.000 0.293 561 N C -2.065 173.170 175.510 -0.458 0.000 1.058 561 N CA -0.601 52.156 53.050 -0.489 0.000 0.824 561 N CB 2.160 40.430 38.487 -0.362 0.000 1.551 561 N HN 0.461 nan 8.380 nan 0.000 0.475 562 F N 0.934 120.622 119.950 -0.437 0.000 2.605 562 F HA 0.357 4.882 4.527 -0.003 0.000 0.320 562 F C -1.438 174.360 175.800 -0.003 0.000 1.159 562 F CA -0.429 57.463 58.000 -0.180 0.000 0.999 562 F CB 1.299 40.187 39.000 -0.186 0.000 1.258 562 F HN 0.562 nan 8.300 nan 0.000 0.464 563 H N 3.793 122.533 119.070 -0.549 0.000 2.595 563 H HA 0.731 5.285 4.556 -0.003 0.000 0.313 563 H C 0.078 174.768 175.328 -1.063 0.000 1.023 563 H CA -0.732 55.004 56.048 -0.521 0.000 1.218 563 H CB 1.459 31.266 29.762 0.075 0.000 1.403 563 H HN 0.901 nan 8.280 nan 0.000 0.477 564 G N 2.272 110.481 108.800 -0.985 0.000 2.601 564 G HA2 0.166 4.124 3.960 -0.002 0.000 0.291 564 G HA3 0.166 4.124 3.960 -0.002 0.000 0.291 564 G C -1.837 172.864 174.900 -0.331 0.000 1.456 564 G CA -0.850 43.909 45.100 -0.567 0.000 0.804 564 G HN 0.531 nan 8.290 nan 0.000 0.499 565 Q N 0.221 120.089 119.800 0.112 0.000 2.257 565 Q HA 0.681 5.019 4.340 -0.002 0.000 0.255 565 Q C 0.492 176.575 176.000 0.138 0.000 0.920 565 Q CA -0.394 55.549 55.803 0.234 0.000 0.927 565 Q CB 1.427 30.330 28.738 0.274 0.000 1.229 565 Q HN 0.945 nan 8.270 nan 0.000 0.433 566 A N 3.127 126.016 122.820 0.115 0.000 2.262 566 A HA 0.070 4.389 4.320 -0.002 0.000 0.273 566 A C 0.520 178.121 177.584 0.029 0.000 1.202 566 A CA 0.165 52.240 52.037 0.063 0.000 0.811 566 A CB 0.134 19.166 19.000 0.054 0.000 1.159 566 A HN 1.029 nan 8.150 nan 0.000 0.505 567 N N -1.661 117.025 118.700 -0.023 0.000 2.422 567 N HA -0.031 4.708 4.740 -0.002 0.000 0.181 567 N C 0.866 176.335 175.510 -0.069 0.000 1.080 567 N CA 0.982 54.006 53.050 -0.044 0.000 0.893 567 N CB 0.026 38.473 38.487 -0.067 0.000 0.973 567 N HN 0.220 nan 8.380 nan 0.000 0.456 568 V N -0.608 119.252 119.914 -0.090 0.000 2.719 568 V HA 0.020 4.139 4.120 -0.002 0.000 0.252 568 V C 1.132 177.202 176.094 -0.041 0.000 1.065 568 V CA 0.735 62.973 62.300 -0.103 0.000 1.086 568 V CB -0.438 31.300 31.823 -0.142 0.000 0.700 568 V HN 0.290 nan 8.190 nan 0.000 0.467 569 S N 1.911 117.614 115.700 0.006 0.000 3.716 569 S HA 0.129 4.598 4.470 -0.002 0.000 0.254 569 S C 0.325 174.937 174.600 0.020 0.000 1.209 569 S CA 0.038 58.261 58.200 0.038 0.000 1.026 569 S CB -0.927 62.327 63.200 0.090 0.000 1.625 569 S HN 0.706 nan 8.310 nan 0.000 0.500 570 S N 1.980 117.678 115.700 -0.003 0.000 2.677 570 S HA 0.781 5.250 4.470 -0.002 0.000 0.283 570 S C 0.477 175.081 174.600 0.005 0.000 1.159 570 S CA -0.311 57.889 58.200 -0.000 0.000 1.001 570 S CB 1.196 64.386 63.200 -0.017 0.000 1.032 570 S HN 1.087 nan 8.310 nan 0.000 0.487 571 G N 4.290 113.101 108.800 0.019 0.000 2.552 571 G HA2 -0.220 3.738 3.960 -0.002 0.000 0.267 571 G HA3 -0.220 3.738 3.960 -0.002 0.000 0.267 571 G C -1.616 173.299 174.900 0.025 0.000 1.174 571 G CA -0.001 45.115 45.100 0.028 0.000 0.955 571 G HN 0.785 nan 8.290 nan 0.000 0.546 572 P HA 0.084 nan 4.420 nan 0.000 0.239 572 P C 1.204 178.466 177.300 -0.062 0.000 1.184 572 P CA 0.954 64.063 63.100 0.015 0.000 0.760 572 P CB 0.036 31.744 31.700 0.013 0.000 0.884 573 R N -1.042 119.384 120.500 -0.123 0.000 2.307 573 R HA 0.279 4.617 4.340 -0.002 0.000 0.200 573 R C 1.121 177.463 176.300 0.071 0.000 0.893 573 R CA -0.380 55.547 56.100 -0.288 0.000 1.042 573 R CB -0.717 29.419 30.300 -0.274 0.000 1.059 573 R HN 0.144 nan 8.270 nan 0.000 0.530 574 L N 0.060 121.331 121.223 0.079 0.000 2.714 574 L HA -0.325 4.013 4.340 -0.002 0.000 0.301 574 L C 0.223 177.179 176.870 0.143 0.000 1.248 574 L CA 0.692 55.589 54.840 0.095 0.000 0.885 574 L CB 0.466 42.562 42.059 0.062 0.000 1.143 574 L HN 0.409 nan 8.230 nan 0.000 0.500 575 C N 3.062 122.426 119.300 0.106 0.000 2.605 575 C HA 0.166 4.624 4.460 -0.002 0.000 0.364 575 C C 1.761 176.693 174.990 -0.097 0.000 1.656 575 C CA 0.215 59.273 59.018 0.067 0.000 2.400 575 C CB 0.011 27.846 27.740 0.158 0.000 2.132 575 C HN 1.132 nan 8.230 nan 0.000 0.668 576 K N -0.445 119.837 120.400 -0.197 0.000 10.883 576 K HA -0.201 4.117 4.320 -0.002 0.000 0.526 576 K C -0.151 175.833 176.600 -1.027 0.000 0.382 576 K CA 1.961 57.953 56.287 -0.493 0.000 1.943 576 K CB -1.532 30.823 32.500 -0.242 0.000 0.766 576 K HN 0.423 nan 8.250 nan 0.000 1.214 577 N N 2.012 120.374 118.700 -0.562 0.000 2.503 577 N HA -0.006 4.732 4.740 -0.002 0.000 0.267 577 N C 0.847 176.143 175.510 -0.357 0.000 1.214 577 N CA 0.398 53.167 53.050 -0.469 0.000 0.959 577 N CB 0.758 39.112 38.487 -0.221 0.000 1.142 577 N HN 0.281 nan 8.380 nan 0.000 0.455 578 E N -0.402 119.709 120.200 -0.148 0.000 2.331 578 E HA -0.205 4.143 4.350 -0.002 0.000 0.199 578 E C -0.260 176.378 176.600 0.063 0.000 1.008 578 E CA 0.796 57.270 56.400 0.124 0.000 0.843 578 E CB -0.183 29.594 29.700 0.128 0.000 0.761 578 E HN 0.442 nan 8.360 nan 0.000 0.507 579 D N 0.832 121.223 120.400 -0.015 0.000 2.393 579 D HA 0.145 4.783 4.640 -0.002 0.000 0.232 579 D C -1.454 174.832 176.300 -0.023 0.000 1.192 579 D CA -0.472 53.521 54.000 -0.011 0.000 0.882 579 D CB 0.106 40.888 40.800 -0.030 0.000 1.038 579 D HN -0.028 nan 8.370 nan 0.000 0.499 580 C N 6.669 125.971 119.300 0.004 0.000 2.705 580 C HA 0.274 4.733 4.460 -0.002 0.000 0.369 580 C C -1.194 173.774 174.990 -0.036 0.000 1.069 580 C CA -0.952 58.056 59.018 -0.016 0.000 1.260 580 C CB 2.237 30.004 27.740 0.045 0.000 1.764 580 C HN 0.520 nan 8.230 nan 0.000 0.469 581 P HA -0.126 nan 4.420 nan 0.000 0.226 581 P C 0.033 177.244 177.300 -0.148 0.000 1.146 581 P CA 1.348 64.332 63.100 -0.193 0.000 0.773 581 P CB 0.115 31.628 31.700 -0.312 0.000 0.772 582 H N -0.208 118.923 119.070 0.100 0.000 2.457 582 H HA 0.161 4.716 4.556 -0.002 0.000 0.335 582 H C 0.396 175.808 175.328 0.140 0.000 1.115 582 H CA -0.824 55.302 56.048 0.129 0.000 1.219 582 H CB 0.962 30.796 29.762 0.120 0.000 1.471 582 H HN -0.132 nan 8.280 nan 0.000 0.491 583 D N 1.480 122.053 120.400 0.288 0.000 2.355 583 D HA -0.071 4.568 4.640 -0.002 0.000 0.253 583 D C 1.221 177.655 176.300 0.223 0.000 1.187 583 D CA 0.317 54.455 54.000 0.231 0.000 0.900 583 D CB 0.217 41.154 40.800 0.228 0.000 0.915 583 D HN 0.435 nan 8.370 nan 0.000 0.516 584 S N -0.437 115.407 115.700 0.240 0.000 2.081 584 S HA -0.118 4.350 4.470 -0.002 0.000 0.167 584 S C 0.291 175.033 174.600 0.238 0.000 1.409 584 S CA -0.347 57.978 58.200 0.208 0.000 2.079 584 S CB -0.430 62.897 63.200 0.211 0.000 0.384 584 S HN 0.275 nan 8.310 nan 0.000 0.360 585 Y N 1.350 121.710 120.300 0.100 0.000 2.800 585 Y HA -0.092 4.456 4.550 -0.003 0.000 0.401 585 Y C -0.428 175.537 175.900 0.109 0.000 1.040 585 Y CA 0.283 58.432 58.100 0.082 0.000 1.529 585 Y CB -0.578 37.911 38.460 0.050 0.000 0.998 585 Y HN 0.258 nan 8.280 nan 0.000 0.517 586 V N 6.882 126.626 119.914 -0.283 0.000 2.644 586 V HA 0.556 4.675 4.120 -0.002 0.000 0.295 586 V C -0.272 175.637 176.094 -0.309 0.000 1.053 586 V CA -0.773 61.445 62.300 -0.137 0.000 0.987 586 V CB 1.681 33.558 31.823 0.089 0.000 1.006 586 V HN 0.522 nan 8.190 nan 0.000 0.472 587 V N 5.317 125.213 119.914 -0.031 0.000 2.623 587 V HA 0.549 4.667 4.120 -0.002 0.000 0.304 587 V C -0.604 175.559 176.094 0.115 0.000 1.054 587 V CA -0.333 61.996 62.300 0.048 0.000 0.882 587 V CB 1.918 33.817 31.823 0.126 0.000 1.002 587 V HN 0.686 nan 8.190 nan 0.000 0.424 588 I N 4.489 125.110 120.570 0.085 0.000 2.503 588 I HA 0.442 4.611 4.170 -0.002 0.000 0.282 588 I C -0.532 175.579 176.117 -0.011 0.000 1.059 588 I CA -0.495 60.878 61.300 0.122 0.000 1.081 588 I CB 1.873 40.042 38.000 0.282 0.000 1.210 588 I HN 0.524 nan 8.210 nan 0.000 0.450 589 K N 5.793 126.190 120.400 -0.005 0.000 2.274 589 K HA 0.413 4.732 4.320 -0.002 0.000 0.262 589 K C -0.282 176.298 176.600 -0.033 0.000 0.961 589 K CA -0.819 55.416 56.287 -0.086 0.000 0.833 589 K CB 1.181 33.626 32.500 -0.092 0.000 1.102 589 K HN 0.486 nan 8.250 nan 0.000 0.436 590 N N 1.455 120.116 118.700 -0.065 0.000 2.727 590 N HA -0.188 4.551 4.740 -0.002 0.000 0.249 590 N C 0.289 175.852 175.510 0.088 0.000 1.048 590 N CA 1.352 54.399 53.050 -0.005 0.000 0.714 590 N CB -1.586 36.877 38.487 -0.040 0.000 0.959 590 N HN 1.124 nan 8.380 nan 0.000 0.544 591 G N -0.602 108.318 108.800 0.200 0.000 2.333 591 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.296 591 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.296 591 G C -0.125 174.864 174.900 0.148 0.000 1.059 591 G CA 0.494 45.739 45.100 0.242 0.000 1.050 591 G HN 0.624 nan 8.290 nan 0.000 0.508 592 I N -0.518 120.138 120.570 0.143 0.000 2.619 592 I HA 0.336 4.505 4.170 -0.002 0.000 0.292 592 I C 0.410 176.602 176.117 0.125 0.000 1.100 592 I CA -0.905 60.453 61.300 0.097 0.000 1.043 592 I CB 2.195 40.232 38.000 0.063 0.000 1.239 592 I HN 0.026 nan 8.210 nan 0.000 0.420 593 L N 7.003 128.289 121.223 0.104 0.000 2.923 593 L HA 0.410 4.748 4.340 -0.002 0.000 0.231 593 L C -0.367 176.564 176.870 0.103 0.000 1.300 593 L CA -0.527 54.389 54.840 0.126 0.000 1.184 593 L CB -0.063 42.042 42.059 0.076 0.000 1.511 593 L HN 0.503 nan 8.230 nan 0.000 0.448 594 L N 2.947 124.230 121.223 0.101 0.000 2.534 594 L HA 0.052 4.390 4.340 -0.002 0.000 0.271 594 L C 0.642 177.578 176.870 0.109 0.000 1.178 594 L CA -0.024 54.872 54.840 0.094 0.000 0.907 594 L CB -0.129 41.984 42.059 0.091 0.000 1.164 594 L HN 0.587 nan 8.230 nan 0.000 0.482 595 E N 2.257 122.520 120.200 0.105 0.000 5.554 595 E HA -0.046 4.302 4.350 -0.002 0.000 0.416 595 E C -0.186 176.499 176.600 0.141 0.000 0.455 595 E CA 0.354 56.828 56.400 0.122 0.000 1.025 595 E CB -1.101 28.676 29.700 0.128 0.000 0.733 595 E HN 0.962 nan 8.360 nan 0.000 0.361 596 G N 0.438 109.336 108.800 0.162 0.000 2.340 596 G HA2 0.415 4.373 3.960 -0.002 0.000 0.300 596 G HA3 0.415 4.373 3.960 -0.002 0.000 0.300 596 G C -1.430 173.615 174.900 0.242 0.000 1.488 596 G CA -0.371 44.853 45.100 0.205 0.000 0.878 596 G HN 0.826 nan 8.290 nan 0.000 0.618 597 V N 1.231 121.315 119.914 0.284 0.000 2.569 597 V HA 0.542 4.660 4.120 -0.002 0.000 0.301 597 V C -0.289 176.040 176.094 0.392 0.000 1.044 597 V CA -0.663 61.819 62.300 0.303 0.000 0.874 597 V CB 1.365 33.315 31.823 0.211 0.000 1.002 597 V HN 0.668 nan 8.190 nan 0.000 0.424 598 F N 5.117 125.152 119.950 0.142 0.000 2.410 598 F HA 0.480 5.005 4.527 -0.003 0.000 0.334 598 F C 0.628 176.463 175.800 0.058 0.000 1.134 598 F CA 0.377 58.463 58.000 0.145 0.000 1.227 598 F CB 1.355 40.508 39.000 0.255 0.000 1.194 598 F HN 0.769 nan 8.300 nan 0.000 0.571 599 D N 0.069 120.536 120.400 0.111 0.000 3.522 599 D HA 0.002 4.640 4.640 -0.002 0.000 0.363 599 D C 0.255 176.530 176.300 -0.041 0.000 1.509 599 D CA -0.703 53.296 54.000 -0.002 0.000 0.907 599 D CB 0.273 40.991 40.800 -0.136 0.000 1.485 599 D HN 0.350 nan 8.370 nan 0.000 0.560 600 K N -0.076 120.288 120.400 -0.059 0.000 2.089 600 K HA -0.194 4.125 4.320 -0.002 0.000 0.210 600 K C 1.358 177.917 176.600 -0.068 0.000 1.048 600 K CA 1.366 57.617 56.287 -0.060 0.000 0.926 600 K CB -0.059 32.409 32.500 -0.055 0.000 0.714 600 K HN 0.115 nan 8.250 nan 0.000 0.448 601 K N -0.342 120.021 120.400 -0.061 0.000 2.515 601 K HA -0.040 4.279 4.320 -0.002 0.000 0.196 601 K C 1.450 177.995 176.600 -0.091 0.000 1.038 601 K CA 1.014 57.270 56.287 -0.051 0.000 0.967 601 K CB 0.344 32.839 32.500 -0.008 0.000 0.780 601 K HN 0.373 nan 8.250 nan 0.000 0.483 602 A N 0.217 122.950 122.820 -0.145 0.000 2.026 602 A HA 0.180 4.498 4.320 -0.002 0.000 0.198 602 A C 1.461 178.916 177.584 -0.215 0.000 1.390 602 A CA 0.023 51.891 52.037 -0.282 0.000 0.915 602 A CB 0.363 19.007 19.000 -0.593 0.000 0.974 602 A HN 0.264 nan 8.150 nan 0.000 0.477 603 I N -3.455 117.049 120.570 -0.110 0.000 3.813 603 I HA 0.526 4.694 4.170 -0.002 0.000 0.323 603 I C 0.535 176.577 176.117 -0.124 0.000 1.536 603 I CA -0.271 61.008 61.300 -0.036 0.000 1.083 603 I CB 0.432 38.534 38.000 0.170 0.000 1.265 603 I HN 0.067 nan 8.210 nan 0.000 0.507 604 G N 0.893 109.622 108.800 -0.120 0.000 2.531 604 G HA2 0.209 4.167 3.960 -0.002 0.000 0.313 604 G HA3 0.209 4.167 3.960 -0.002 0.000 0.313 604 G C 0.262 175.083 174.900 -0.131 0.000 1.238 604 G CA -0.634 44.389 45.100 -0.128 0.000 0.994 604 G HN 0.246 nan 8.290 nan 0.000 0.493 605 N N -0.237 118.394 118.700 -0.115 0.000 2.724 605 N HA -0.077 4.661 4.740 -0.002 0.000 0.198 605 N C 0.784 176.244 175.510 -0.084 0.000 1.301 605 N CA 0.359 53.349 53.050 -0.100 0.000 0.942 605 N CB 0.081 38.527 38.487 -0.068 0.000 1.033 605 N HN 0.453 nan 8.380 nan 0.000 0.447 606 Q N 1.688 121.434 119.800 -0.090 0.000 2.257 606 Q HA -0.002 4.337 4.340 -0.002 0.000 0.273 606 Q C 0.982 176.932 176.000 -0.083 0.000 1.153 606 Q CA 0.307 56.063 55.803 -0.078 0.000 0.922 606 Q CB 0.327 29.018 28.738 -0.079 0.000 1.242 606 Q HN 0.275 nan 8.270 nan 0.000 0.409 607 Q N 4.548 124.311 119.800 -0.061 0.000 1.864 607 Q HA -0.032 4.306 4.340 -0.002 0.000 0.219 607 Q C -0.959 175.056 176.000 0.026 0.000 0.975 607 Q CA 0.813 56.584 55.803 -0.054 0.000 0.862 607 Q CB -0.862 27.845 28.738 -0.052 0.000 0.913 607 Q HN 0.521 nan 8.270 nan 0.000 0.431 608 P HA -0.281 nan 4.420 nan 0.000 0.251 608 P C -0.533 176.848 177.300 0.135 0.000 0.754 608 P CA 2.269 65.482 63.100 0.189 0.000 1.051 608 P CB -0.084 31.637 31.700 0.036 0.000 0.785 609 E N -3.664 116.440 120.200 -0.159 0.000 3.850 609 E HA 0.160 4.509 4.350 -0.002 0.000 0.168 609 E C -0.408 175.763 176.600 -0.715 0.000 1.035 609 E CA -0.206 55.749 56.400 -0.741 0.000 1.528 609 E CB 0.028 29.525 29.700 -0.338 0.000 1.154 609 E HN 0.097 nan 8.360 nan 0.000 0.383 610 S N 0.482 115.959 115.700 -0.372 0.000 2.537 610 S HA -0.015 4.453 4.470 -0.002 0.000 0.280 610 S C 1.558 175.900 174.600 -0.430 0.000 1.335 610 S CA 0.060 58.083 58.200 -0.296 0.000 1.025 610 S CB 0.396 63.487 63.200 -0.181 0.000 0.836 610 S HN 0.384 nan 8.310 nan 0.000 0.523 611 I N 3.111 123.452 120.570 -0.382 0.000 2.226 611 I HA -0.172 3.997 4.170 -0.002 0.000 0.245 611 I C 2.352 178.402 176.117 -0.111 0.000 1.100 611 I CA 1.369 62.466 61.300 -0.337 0.000 1.374 611 I CB -0.402 37.414 38.000 -0.307 0.000 1.057 611 I HN 0.736 nan 8.210 nan 0.000 0.413 612 L N 0.180 121.330 121.223 -0.122 0.000 2.127 612 L HA -0.280 4.059 4.340 -0.002 0.000 0.211 612 L C 2.731 179.586 176.870 -0.024 0.000 1.089 612 L CA 1.655 56.467 54.840 -0.047 0.000 0.757 612 L CB -0.558 41.488 42.059 -0.021 0.000 0.899 612 L HN 0.325 nan 8.230 nan 0.000 0.434 613 H N 0.088 119.017 119.070 -0.235 0.000 2.312 613 H HA -0.225 4.329 4.556 -0.002 0.000 0.299 613 H C 1.831 177.081 175.328 -0.131 0.000 1.051 613 H CA 2.431 58.294 56.048 -0.309 0.000 1.227 613 H CB -1.183 28.193 29.762 -0.645 0.000 1.389 613 H HN 0.549 nan 8.280 nan 0.000 0.524 614 W N 0.846 122.251 121.300 0.174 0.000 2.337 614 W HA -0.175 4.484 4.660 -0.002 0.000 0.272 614 W C 2.684 179.394 176.519 0.317 0.000 1.203 614 W CA 0.207 57.650 57.345 0.162 0.000 1.165 614 W CB -0.210 29.286 29.460 0.060 0.000 1.133 614 W HN 0.193 nan 8.180 nan 0.000 0.571 615 L N -0.926 120.544 121.223 0.410 0.000 2.084 615 L HA -0.184 4.155 4.340 -0.002 0.000 0.202 615 L C 2.384 179.520 176.870 0.442 0.000 1.074 615 L CA 0.580 55.605 54.840 0.309 0.000 0.757 615 L CB -0.776 41.288 42.059 0.008 0.000 0.918 615 L HN -0.075 nan 8.230 nan 0.000 0.444 616 I N 0.164 120.886 120.570 0.255 0.000 2.226 616 I HA -0.263 3.906 4.170 -0.002 0.000 0.245 616 I C 2.519 178.781 176.117 0.241 0.000 1.100 616 I CA 1.363 62.778 61.300 0.192 0.000 1.374 616 I CB -0.924 37.100 38.000 0.040 0.000 1.057 616 I HN 0.339 nan 8.210 nan 0.000 0.413 617 K N 1.312 121.890 120.400 0.296 0.000 1.965 617 K HA -0.173 4.145 4.320 -0.002 0.000 0.220 617 K C 1.041 177.783 176.600 0.236 0.000 1.046 617 K CA 1.346 57.812 56.287 0.300 0.000 0.974 617 K CB -0.217 32.567 32.500 0.473 0.000 0.738 617 K HN 0.207 nan 8.250 nan 0.000 0.444 618 E N 0.131 120.452 120.200 0.202 0.000 2.705 618 E HA 0.020 4.368 4.350 -0.002 0.000 0.272 618 E C -1.068 175.258 176.600 -0.457 0.000 1.528 618 E CA 0.120 56.472 56.400 -0.081 0.000 1.750 618 E CB -0.083 29.526 29.700 -0.151 0.000 1.439 618 E HN 0.207 nan 8.360 nan 0.000 0.449 619 Y N -1.580 118.818 120.300 0.163 0.000 2.689 619 Y HA 0.041 4.590 4.550 -0.002 0.000 0.333 619 Y C 0.313 176.302 175.900 0.148 0.000 1.208 619 Y CA -1.267 56.921 58.100 0.147 0.000 1.055 619 Y CB 1.049 39.633 38.460 0.205 0.000 1.304 619 Y HN -0.039 nan 8.280 nan 0.000 0.455 620 S N -0.056 115.859 115.700 0.358 0.000 2.563 620 S HA -0.013 4.455 4.470 -0.002 0.000 0.284 620 S C 0.096 174.802 174.600 0.175 0.000 1.331 620 S CA -0.379 57.956 58.200 0.225 0.000 1.047 620 S CB 0.499 63.811 63.200 0.187 0.000 0.859 620 S HN 0.607 nan 8.310 nan 0.000 0.514 621 D N 1.354 121.828 120.400 0.123 0.000 2.358 621 D HA 0.016 4.654 4.640 -0.002 0.000 0.241 621 D C 1.057 177.336 176.300 -0.035 0.000 1.094 621 D CA 0.470 54.525 54.000 0.091 0.000 0.907 621 D CB 0.056 40.950 40.800 0.156 0.000 0.893 621 D HN 0.710 nan 8.370 nan 0.000 0.528 622 E N -1.077 119.130 120.200 0.011 0.000 2.441 622 E HA -0.071 4.277 4.350 -0.002 0.000 0.207 622 E C 1.687 178.329 176.600 0.070 0.000 0.803 622 E CA -0.090 56.298 56.400 -0.019 0.000 1.240 622 E CB -0.665 29.057 29.700 0.036 0.000 1.233 622 E HN 0.267 nan 8.360 nan 0.000 0.590 623 Y N 3.028 123.347 120.300 0.033 0.000 2.263 623 Y HA 0.069 4.618 4.550 -0.002 0.000 0.292 623 Y C 2.155 178.120 175.900 0.108 0.000 1.130 623 Y CA 1.744 59.911 58.100 0.111 0.000 1.179 623 Y CB -0.559 37.933 38.460 0.054 0.000 0.998 623 Y HN 0.052 nan 8.280 nan 0.000 0.532 624 G N 0.691 109.460 108.800 -0.052 0.000 2.511 624 G HA2 -0.383 3.575 3.960 -0.002 0.000 0.216 624 G HA3 -0.383 3.575 3.960 -0.002 0.000 0.216 624 G C 1.752 176.504 174.900 -0.247 0.000 1.218 624 G CA 1.174 46.165 45.100 -0.181 0.000 0.788 624 G HN 0.436 nan 8.290 nan 0.000 0.560 625 K N -0.767 119.466 120.400 -0.279 0.000 2.044 625 K HA -0.217 4.101 4.320 -0.002 0.000 0.210 625 K C 2.124 178.639 176.600 -0.143 0.000 1.049 625 K CA 1.713 57.828 56.287 -0.286 0.000 0.927 625 K CB -0.388 31.782 32.500 -0.550 0.000 0.713 625 K HN 0.431 nan 8.250 nan 0.000 0.443 626 W N 1.585 122.733 121.300 -0.253 0.000 2.260 626 W HA -0.308 4.351 4.660 -0.003 0.000 0.326 626 W C 1.900 178.239 176.519 -0.299 0.000 1.229 626 W CA 1.873 59.094 57.345 -0.206 0.000 1.190 626 W CB -1.180 28.201 29.460 -0.132 0.000 1.177 626 W HN 0.195 nan 8.180 nan 0.000 0.457 627 L N 0.972 121.774 121.223 -0.702 0.000 2.064 627 L HA -0.426 3.912 4.340 -0.002 0.000 0.234 627 L C 2.564 178.978 176.870 -0.760 0.000 1.103 627 L CA 3.607 57.821 54.840 -1.044 0.000 0.824 627 L CB -1.312 40.181 42.059 -0.943 0.000 0.919 627 L HN 0.180 nan 8.230 nan 0.000 0.447 628 M N -0.876 118.491 119.600 -0.388 0.000 2.113 628 M HA -0.269 4.210 4.480 -0.002 0.000 0.255 628 M C 1.930 178.182 176.300 -0.080 0.000 1.073 628 M CA 2.239 57.495 55.300 -0.074 0.000 1.091 628 M CB -1.545 31.012 32.600 -0.072 0.000 1.309 628 M HN 0.437 nan 8.290 nan 0.000 0.407 629 D N -0.888 119.391 120.400 -0.202 0.000 2.323 629 D HA -0.007 4.631 4.640 -0.002 0.000 0.209 629 D C 1.550 177.704 176.300 -0.243 0.000 0.973 629 D CA 0.622 54.530 54.000 -0.152 0.000 0.874 629 D CB -0.161 40.582 40.800 -0.094 0.000 0.930 629 D HN 0.477 nan 8.370 nan 0.000 0.521 630 N N 0.203 118.593 118.700 -0.517 0.000 2.463 630 N HA -0.000 4.738 4.740 -0.002 0.000 0.183 630 N C 1.804 176.783 175.510 -0.884 0.000 1.064 630 N CA -0.075 52.580 53.050 -0.658 0.000 0.879 630 N CB 0.685 38.648 38.487 -0.874 0.000 1.148 630 N HN 0.078 nan 8.380 nan 0.000 0.451 631 L N 1.132 121.668 121.223 -1.145 0.000 1.971 631 L HA 0.054 4.392 4.340 -0.002 0.000 0.208 631 L C 1.741 178.307 176.870 -0.505 0.000 1.083 631 L CA 1.646 55.751 54.840 -1.226 0.000 0.753 631 L CB -1.224 40.086 42.059 -1.248 0.000 0.893 631 L HN -0.120 nan 8.230 nan 0.000 0.436 632 F N 0.380 120.296 119.950 -0.057 0.000 2.141 632 F HA -0.286 4.239 4.527 -0.002 0.000 0.300 632 F C 2.674 178.661 175.800 0.311 0.000 1.079 632 F CA 1.887 59.970 58.000 0.139 0.000 1.264 632 F CB -1.004 37.715 39.000 -0.470 0.000 1.011 632 F HN 0.119 nan 8.300 nan 0.000 0.487 633 R N 0.094 120.718 120.500 0.207 0.000 2.303 633 R HA -0.099 4.239 4.340 -0.002 0.000 0.225 633 R C 1.914 178.321 176.300 0.178 0.000 1.114 633 R CA 0.535 56.753 56.100 0.195 0.000 1.007 633 R CB -0.374 29.956 30.300 0.051 0.000 0.861 633 R HN 0.214 nan 8.270 nan 0.000 0.471 634 V N -0.427 119.564 119.914 0.130 0.000 2.302 634 V HA -0.172 3.946 4.120 -0.002 0.000 0.243 634 V C 1.580 177.759 176.094 0.143 0.000 1.036 634 V CA 1.531 63.858 62.300 0.045 0.000 1.020 634 V CB -0.484 31.253 31.823 -0.143 0.000 0.657 634 V HN 0.163 nan 8.190 nan 0.000 0.453 635 F N 0.472 120.504 119.950 0.138 0.000 2.087 635 F HA -0.262 4.264 4.527 -0.003 0.000 0.299 635 F C 2.207 178.131 175.800 0.206 0.000 1.100 635 F CA 1.949 60.069 58.000 0.200 0.000 1.226 635 F CB -1.201 37.946 39.000 0.245 0.000 0.983 635 F HN 0.066 nan 8.300 nan 0.000 0.479 636 I N -0.282 120.528 120.570 0.400 0.000 2.065 636 I HA -0.367 3.802 4.170 -0.002 0.000 0.236 636 I C 2.482 178.692 176.117 0.155 0.000 1.028 636 I CA 1.635 63.055 61.300 0.200 0.000 1.299 636 I CB -0.531 37.566 38.000 0.161 0.000 1.015 636 I HN -0.015 nan 8.210 nan 0.000 0.396 637 R N 0.180 120.771 120.500 0.151 0.000 2.341 637 R HA -0.129 4.210 4.340 -0.002 0.000 0.213 637 R C 1.753 178.125 176.300 0.120 0.000 1.082 637 R CA 0.902 57.067 56.100 0.109 0.000 1.017 637 R CB -0.695 29.661 30.300 0.093 0.000 0.860 637 R HN 0.422 nan 8.270 nan 0.000 0.473 638 F N -1.143 118.842 119.950 0.058 0.000 2.317 638 F HA 0.009 4.535 4.527 -0.002 0.000 0.293 638 F C 1.531 177.373 175.800 0.070 0.000 1.085 638 F CA 0.628 58.659 58.000 0.051 0.000 1.390 638 F CB 0.069 39.087 39.000 0.030 0.000 1.077 638 F HN -0.203 nan 8.300 nan 0.000 0.517 639 V N 0.602 120.554 119.914 0.063 0.000 2.913 639 V HA -0.207 3.911 4.120 -0.002 0.000 0.260 639 V C 1.762 177.826 176.094 -0.051 0.000 1.098 639 V CA 1.760 64.060 62.300 -0.000 0.000 1.121 639 V CB -0.815 31.040 31.823 0.054 0.000 0.714 639 V HN 0.350 nan 8.190 nan 0.000 0.487 640 E N 0.579 120.749 120.200 -0.050 0.000 2.482 640 E HA -0.027 4.321 4.350 -0.002 0.000 0.196 640 E C 1.000 177.554 176.600 -0.076 0.000 1.047 640 E CA 0.467 56.845 56.400 -0.036 0.000 0.869 640 E CB 0.144 29.840 29.700 -0.007 0.000 0.836 640 E HN 0.666 nan 8.360 nan 0.000 0.520 641 L N -2.471 118.642 121.223 -0.183 0.000 3.289 641 L HA 0.343 4.681 4.340 -0.002 0.000 0.291 641 L C 0.756 177.456 176.870 -0.285 0.000 1.279 641 L CA 0.004 54.730 54.840 -0.190 0.000 1.025 641 L CB 0.730 42.689 42.059 -0.166 0.000 1.413 641 L HN -0.214 nan 8.230 nan 0.000 0.593 642 Q N 0.196 119.844 119.800 -0.254 0.000 2.046 642 Q HA 0.403 4.741 4.340 -0.002 0.000 0.226 642 Q C 1.036 177.058 176.000 0.038 0.000 0.755 642 Q CA 0.698 56.394 55.803 -0.177 0.000 0.924 642 Q CB 1.882 30.411 28.738 -0.348 0.000 1.188 642 Q HN 0.560 nan 8.270 nan 0.000 0.450 643 G N 1.844 110.677 108.800 0.056 0.000 2.866 643 G HA2 -0.303 3.655 3.960 -0.002 0.000 0.274 643 G HA3 -0.303 3.655 3.960 -0.002 0.000 0.274 643 G C -0.108 174.975 174.900 0.305 0.000 1.413 643 G CA -0.110 45.077 45.100 0.145 0.000 0.997 643 G HN 0.341 nan 8.290 nan 0.000 0.559 644 F N -0.304 119.764 119.950 0.197 0.000 2.177 644 F HA 0.259 4.785 4.527 -0.002 0.000 0.381 644 F C 0.507 176.172 175.800 -0.225 0.000 1.294 644 F CA 2.249 60.388 58.000 0.231 0.000 1.154 644 F CB -0.432 38.674 39.000 0.176 0.000 3.826 644 F HN 1.925 nan 8.300 nan 0.000 0.380 645 T N 3.388 117.253 114.554 -1.149 0.000 2.589 645 T HA 0.583 4.931 4.350 -0.002 0.000 0.246 645 T C -1.566 172.496 174.700 -1.064 0.000 1.637 645 T CA -0.032 61.550 62.100 -0.864 0.000 1.007 645 T CB 0.589 69.083 68.868 -0.623 0.000 2.110 645 T HN 1.303 nan 8.240 nan 0.000 0.407 646 M N 2.184 121.329 119.600 -0.758 0.000 2.516 646 M HA 0.408 4.886 4.480 -0.002 0.000 0.168 646 M C -1.060 175.128 176.300 -0.186 0.000 0.973 646 M CA -0.560 54.489 55.300 -0.419 0.000 0.887 646 M CB 0.847 33.327 32.600 -0.201 0.000 3.022 646 M HN 0.416 nan 8.290 nan 0.000 0.377 647 R N 1.742 122.188 120.500 -0.090 0.000 2.679 647 R HA 0.139 4.478 4.340 -0.002 0.000 0.268 647 R C 0.877 177.197 176.300 0.032 0.000 1.044 647 R CA -0.035 56.073 56.100 0.012 0.000 1.105 647 R CB 0.771 31.133 30.300 0.103 0.000 0.989 647 R HN 0.858 nan 8.270 nan 0.000 0.447 648 L N 2.277 123.517 121.223 0.029 0.000 2.179 648 L HA -0.059 4.279 4.340 -0.002 0.000 0.208 648 L C 1.651 178.553 176.870 0.054 0.000 1.096 648 L CA 1.250 56.113 54.840 0.038 0.000 0.779 648 L CB -0.002 42.075 42.059 0.030 0.000 0.922 648 L HN 0.643 nan 8.230 nan 0.000 0.443 649 E N -0.009 120.223 120.200 0.054 0.000 2.333 649 E HA -0.218 4.130 4.350 -0.002 0.000 0.198 649 E C 1.257 177.898 176.600 0.068 0.000 1.007 649 E CA 0.888 57.321 56.400 0.055 0.000 0.845 649 E CB -0.015 29.715 29.700 0.050 0.000 0.766 649 E HN 0.571 nan 8.360 nan 0.000 0.507 650 D N 0.078 120.532 120.400 0.091 0.000 2.218 650 D HA -0.118 4.521 4.640 -0.002 0.000 0.204 650 D C 1.797 178.163 176.300 0.110 0.000 0.976 650 D CA 0.709 54.778 54.000 0.116 0.000 0.853 650 D CB 0.204 41.106 40.800 0.171 0.000 0.939 650 D HN 0.107 nan 8.370 nan 0.000 0.481 651 V N 0.252 120.224 119.914 0.097 0.000 3.379 651 V HA 0.014 4.132 4.120 -0.002 0.000 0.249 651 V C 0.579 176.715 176.094 0.069 0.000 1.184 651 V CA 0.479 62.838 62.300 0.097 0.000 1.106 651 V CB 0.299 32.184 31.823 0.103 0.000 0.826 651 V HN 0.125 nan 8.190 nan 0.000 0.465 652 S N 1.048 116.782 115.700 0.057 0.000 2.562 652 S HA 0.428 4.897 4.470 -0.002 0.000 0.281 652 S C -0.147 174.465 174.600 0.020 0.000 1.333 652 S CA -0.306 57.916 58.200 0.037 0.000 1.052 652 S CB 0.792 64.014 63.200 0.037 0.000 0.884 652 S HN 0.373 nan 8.310 nan 0.000 0.506 653 L N 1.927 123.147 121.223 -0.005 0.000 2.751 653 L HA 0.872 5.211 4.340 -0.002 0.000 0.241 653 L C 1.021 177.871 176.870 -0.034 0.000 1.146 653 L CA -0.432 54.388 54.840 -0.033 0.000 0.879 653 L CB 0.765 42.777 42.059 -0.079 0.000 1.687 653 L HN 0.991 nan 8.230 nan 0.000 0.527 654 G N -1.922 106.840 108.800 -0.063 0.000 2.451 654 G HA2 0.332 4.291 3.960 -0.002 0.000 0.292 654 G HA3 0.332 4.291 3.960 -0.002 0.000 0.292 654 G C -1.469 173.396 174.900 -0.058 0.000 1.427 654 G CA -0.298 44.777 45.100 -0.042 0.000 0.792 654 G HN 0.562 nan 8.290 nan 0.000 0.498 655 D N -0.424 119.962 120.400 -0.023 0.000 3.750 655 D HA -0.237 4.401 4.640 -0.002 0.000 0.149 655 D C 1.135 177.413 176.300 -0.037 0.000 0.867 655 D CA 1.803 55.794 54.000 -0.016 0.000 1.010 655 D CB -0.570 40.227 40.800 -0.005 0.000 0.462 655 D HN 0.552 nan 8.370 nan 0.000 0.436 656 D N 0.588 120.957 120.400 -0.051 0.000 2.224 656 D HA -0.049 4.589 4.640 -0.002 0.000 0.205 656 D C 2.262 178.460 176.300 -0.169 0.000 0.965 656 D CA 1.023 54.981 54.000 -0.070 0.000 0.852 656 D CB -0.111 40.666 40.800 -0.038 0.000 0.947 656 D HN 0.210 nan 8.370 nan 0.000 0.494 657 V N 1.632 121.372 119.914 -0.289 0.000 2.332 657 V HA -0.248 3.871 4.120 -0.002 0.000 0.248 657 V C 2.279 178.202 176.094 -0.287 0.000 1.055 657 V CA 1.509 63.523 62.300 -0.477 0.000 1.038 657 V CB -0.616 30.872 31.823 -0.558 0.000 0.651 657 V HN 0.134 nan 8.190 nan 0.000 0.450 658 K N 0.027 120.306 120.400 -0.201 0.000 2.360 658 K HA -0.142 4.176 4.320 -0.002 0.000 0.201 658 K C 2.088 178.614 176.600 -0.123 0.000 1.046 658 K CA 1.015 57.176 56.287 -0.210 0.000 0.945 658 K CB -0.119 32.314 32.500 -0.112 0.000 0.750 658 K HN 0.528 nan 8.250 nan 0.000 0.464 659 K N 0.656 121.024 120.400 -0.054 0.000 2.128 659 K HA -0.036 4.283 4.320 -0.002 0.000 0.202 659 K C 1.716 178.310 176.600 -0.010 0.000 1.050 659 K CA 0.710 57.013 56.287 0.027 0.000 0.966 659 K CB 0.134 32.641 32.500 0.011 0.000 0.759 659 K HN 0.116 nan 8.250 nan 0.000 0.454 660 E N 0.759 120.914 120.200 -0.075 0.000 2.265 660 E HA -0.143 4.205 4.350 -0.002 0.000 0.196 660 E C 1.766 178.332 176.600 -0.057 0.000 0.996 660 E CA 0.694 57.058 56.400 -0.060 0.000 0.832 660 E CB 0.101 29.751 29.700 -0.083 0.000 0.756 660 E HN 0.235 nan 8.360 nan 0.000 0.491 661 I N -0.391 120.119 120.570 -0.099 0.000 2.385 661 I HA -0.183 3.986 4.170 -0.002 0.000 0.244 661 I C 1.907 177.989 176.117 -0.058 0.000 1.089 661 I CA 1.116 62.349 61.300 -0.112 0.000 1.410 661 I CB -1.083 36.790 38.000 -0.211 0.000 1.117 661 I HN 0.162 nan 8.210 nan 0.000 0.429 662 Y N 0.941 121.182 120.300 -0.097 0.000 2.651 662 Y HA -0.207 4.342 4.550 -0.002 0.000 0.296 662 Y C 1.987 177.822 175.900 -0.108 0.000 1.150 662 Y CA 0.494 58.525 58.100 -0.116 0.000 1.348 662 Y CB -0.084 38.321 38.460 -0.091 0.000 0.983 662 Y HN 0.298 nan 8.280 nan 0.000 0.555 663 N N -0.483 118.255 118.700 0.063 0.000 2.197 663 N HA -0.050 4.689 4.740 -0.002 0.000 0.201 663 N C 1.259 176.766 175.510 -0.006 0.000 1.148 663 N CA 0.207 53.266 53.050 0.015 0.000 0.883 663 N CB 0.325 38.819 38.487 0.012 0.000 1.012 663 N HN 0.158 nan 8.380 nan 0.000 0.507 664 E N 0.049 120.242 120.200 -0.013 0.000 2.340 664 E HA 0.119 4.468 4.350 -0.002 0.000 0.198 664 E C 1.680 178.261 176.600 -0.031 0.000 0.961 664 E CA 0.506 56.896 56.400 -0.015 0.000 0.905 664 E CB -0.085 29.610 29.700 -0.009 0.000 0.884 664 E HN 0.494 nan 8.360 nan 0.000 0.491 665 I N -0.250 120.274 120.570 -0.077 0.000 2.333 665 I HA -0.054 4.114 4.170 -0.002 0.000 0.246 665 I C 1.472 177.497 176.117 -0.154 0.000 1.106 665 I CA 1.500 62.700 61.300 -0.168 0.000 1.411 665 I CB -0.693 37.049 38.000 -0.430 0.000 1.082 665 I HN -0.058 nan 8.210 nan 0.000 0.420 666 D N 1.479 121.803 120.400 -0.127 0.000 2.219 666 D HA -0.269 4.369 4.640 -0.002 0.000 0.205 666 D C 2.231 178.499 176.300 -0.053 0.000 0.970 666 D CA 1.191 55.135 54.000 -0.094 0.000 0.851 666 D CB -0.632 40.121 40.800 -0.079 0.000 0.943 666 D HN 0.488 nan 8.370 nan 0.000 0.488 667 R N 0.358 120.835 120.500 -0.039 0.000 2.200 667 R HA 0.167 4.506 4.340 -0.002 0.000 0.208 667 R C 1.873 178.168 176.300 -0.009 0.000 1.033 667 R CA 0.865 56.955 56.100 -0.018 0.000 1.000 667 R CB -0.012 30.282 30.300 -0.010 0.000 0.906 667 R HN 0.216 nan 8.270 nan 0.000 0.462 668 A N 1.472 124.284 122.820 -0.013 0.000 1.850 668 A HA -0.035 4.284 4.320 -0.002 0.000 0.212 668 A C 1.871 179.459 177.584 0.007 0.000 1.208 668 A CA 0.897 52.941 52.037 0.012 0.000 0.609 668 A CB -0.240 18.780 19.000 0.034 0.000 0.860 668 A HN 0.247 nan 8.150 nan 0.000 0.448 669 K N 0.187 120.573 120.400 -0.022 0.000 2.052 669 K HA -0.241 4.077 4.320 -0.002 0.000 0.215 669 K C 1.956 178.554 176.600 -0.004 0.000 1.053 669 K CA 2.235 58.512 56.287 -0.018 0.000 0.934 669 K CB -1.005 31.470 32.500 -0.042 0.000 0.717 669 K HN 0.548 nan 8.250 nan 0.000 0.450 670 V N -0.053 119.856 119.914 -0.009 0.000 2.317 670 V HA -0.331 3.788 4.120 -0.002 0.000 0.251 670 V C 2.029 178.129 176.094 0.011 0.000 1.065 670 V CA 2.463 64.763 62.300 -0.001 0.000 1.049 670 V CB -0.774 31.046 31.823 -0.004 0.000 0.651 670 V HN 0.375 nan 8.190 nan 0.000 0.450 671 E N -0.345 119.864 120.200 0.015 0.000 2.401 671 E HA -0.099 4.249 4.350 -0.002 0.000 0.199 671 E C 1.670 178.291 176.600 0.035 0.000 1.023 671 E CA 1.243 57.658 56.400 0.024 0.000 0.859 671 E CB 0.120 29.836 29.700 0.027 0.000 0.780 671 E HN 0.651 nan 8.360 nan 0.000 0.523 672 V N -0.160 119.774 119.914 0.034 0.000 2.721 672 V HA -0.084 4.035 4.120 -0.002 0.000 0.236 672 V C 1.360 177.477 176.094 0.037 0.000 1.116 672 V CA 0.954 63.279 62.300 0.042 0.000 1.148 672 V CB -0.323 31.521 31.823 0.035 0.000 0.886 672 V HN 0.142 nan 8.190 nan 0.000 0.490 673 D N 1.629 122.043 120.400 0.023 0.000 2.242 673 D HA -0.294 4.345 4.640 -0.002 0.000 0.190 673 D C 1.770 178.092 176.300 0.036 0.000 1.012 673 D CA 2.391 56.405 54.000 0.023 0.000 0.875 673 D CB -0.306 40.502 40.800 0.013 0.000 0.922 673 D HN 0.754 nan 8.370 nan 0.000 0.448 674 N N 0.058 118.780 118.700 0.037 0.000 2.173 674 N HA -0.087 4.651 4.740 -0.002 0.000 0.184 674 N C 1.864 177.413 175.510 0.066 0.000 1.025 674 N CA 0.560 53.637 53.050 0.044 0.000 0.852 674 N CB -0.815 37.692 38.487 0.033 0.000 0.998 674 N HN 0.203 nan 8.380 nan 0.000 0.427 675 L N -0.570 120.696 121.223 0.071 0.000 2.137 675 L HA -0.168 4.171 4.340 -0.002 0.000 0.213 675 L C 1.587 178.536 176.870 0.131 0.000 1.085 675 L CA 1.003 55.906 54.840 0.104 0.000 0.760 675 L CB -0.237 41.888 42.059 0.110 0.000 0.893 675 L HN 0.258 nan 8.230 nan 0.000 0.434 676 I N -1.036 119.598 120.570 0.107 0.000 2.406 676 I HA -0.237 3.932 4.170 -0.002 0.000 0.249 676 I C 2.453 178.670 176.117 0.166 0.000 1.122 676 I CA 1.129 62.510 61.300 0.134 0.000 1.431 676 I CB -0.352 37.705 38.000 0.094 0.000 1.087 676 I HN 0.218 nan 8.210 nan 0.000 0.424 677 Q N 0.262 120.127 119.800 0.110 0.000 2.124 677 Q HA -0.226 4.113 4.340 -0.002 0.000 0.202 677 Q C 2.141 178.196 176.000 0.092 0.000 0.977 677 Q CA 1.317 57.171 55.803 0.085 0.000 0.850 677 Q CB -0.159 28.612 28.738 0.056 0.000 0.901 677 Q HN 0.450 nan 8.270 nan 0.000 0.429 678 K N -0.306 120.161 120.400 0.111 0.000 2.147 678 K HA -0.200 4.119 4.320 -0.002 0.000 0.205 678 K C 1.906 178.593 176.600 0.144 0.000 1.049 678 K CA 1.210 57.563 56.287 0.111 0.000 0.936 678 K CB -0.153 32.422 32.500 0.125 0.000 0.722 678 K HN 0.222 nan 8.250 nan 0.000 0.446 679 Y N 2.041 122.372 120.300 0.052 0.000 2.130 679 Y HA -0.151 4.397 4.550 -0.002 0.000 0.287 679 Y C 1.969 177.886 175.900 0.027 0.000 1.124 679 Y CA 1.446 59.572 58.100 0.043 0.000 1.118 679 Y CB -0.019 38.465 38.460 0.039 0.000 0.994 679 Y HN -0.148 nan 8.280 nan 0.000 0.497 680 K N 0.022 120.462 120.400 0.067 0.000 2.044 680 K HA -0.198 4.121 4.320 -0.002 0.000 0.210 680 K C 0.641 177.193 176.600 -0.079 0.000 1.049 680 K CA 1.494 57.760 56.287 -0.035 0.000 0.927 680 K CB -0.366 32.164 32.500 0.050 0.000 0.713 680 K HN 0.283 nan 8.250 nan 0.000 0.443 681 N N 1.400 120.083 118.700 -0.028 0.000 3.259 681 N HA 0.021 4.760 4.740 -0.002 0.000 0.308 681 N C -0.254 175.231 175.510 -0.042 0.000 1.334 681 N CA 0.161 53.193 53.050 -0.030 0.000 1.202 681 N CB 0.326 38.812 38.487 -0.002 0.000 1.485 681 N HN 0.267 nan 8.380 nan 0.000 0.549 682 G N 1.246 109.989 108.800 -0.095 0.000 2.121 682 G HA2 -0.272 3.686 3.960 -0.002 0.000 0.254 682 G HA3 -0.272 3.686 3.960 -0.002 0.000 0.254 682 G C 0.766 175.645 174.900 -0.035 0.000 0.763 682 G CA 0.841 45.884 45.100 -0.095 0.000 1.006 682 G HN 0.557 nan 8.290 nan 0.000 0.415 683 E N -0.598 119.601 120.200 -0.001 0.000 2.592 683 E HA 0.194 4.543 4.350 -0.002 0.000 0.184 683 E C 1.361 177.996 176.600 0.059 0.000 1.056 683 E CA -0.800 55.615 56.400 0.026 0.000 1.151 683 E CB 0.098 29.816 29.700 0.030 0.000 1.435 683 E HN 0.337 nan 8.360 nan 0.000 0.496 684 L N 2.735 124.018 121.223 0.100 0.000 2.749 684 L HA -0.153 4.185 4.340 -0.002 0.000 0.313 684 L C 0.272 177.238 176.870 0.160 0.000 1.251 684 L CA 0.707 55.641 54.840 0.156 0.000 0.867 684 L CB 0.249 42.462 42.059 0.256 0.000 1.122 684 L HN 0.245 nan 8.230 nan 0.000 0.513 685 E N 5.152 125.452 120.200 0.167 0.000 2.227 685 E HA 0.457 4.805 4.350 -0.002 0.000 0.268 685 E C -2.075 174.664 176.600 0.231 0.000 0.990 685 E CA -1.498 54.992 56.400 0.150 0.000 0.856 685 E CB 1.461 31.220 29.700 0.097 0.000 1.159 685 E HN 0.451 nan 8.360 nan 0.000 0.401 686 P HA 0.432 nan 4.420 nan 0.000 0.344 686 P C -0.392 177.016 177.300 0.180 0.000 1.321 686 P CA -0.315 62.878 63.100 0.156 0.000 0.773 686 P CB 0.809 32.558 31.700 0.082 0.000 1.723 687 I N -3.389 117.250 120.570 0.114 0.000 2.610 687 I HA 0.314 4.483 4.170 -0.002 0.000 0.289 687 I C -2.739 173.412 176.117 0.056 0.000 1.163 687 I CA -2.921 58.440 61.300 0.102 0.000 1.044 687 I CB 1.483 39.558 38.000 0.126 0.000 1.251 687 I HN 0.011 nan 8.210 nan 0.000 0.424 688 P HA -0.111 nan 4.420 nan 0.000 0.247 688 P C 1.066 178.380 177.300 0.023 0.000 1.103 688 P CA 1.923 65.042 63.100 0.032 0.000 0.797 688 P CB 0.100 31.817 31.700 0.028 0.000 0.710 689 G N 3.131 111.942 108.800 0.019 0.000 2.900 689 G HA2 -0.258 3.700 3.960 -0.002 0.000 0.223 689 G HA3 -0.258 3.700 3.960 -0.002 0.000 0.223 689 G C 0.120 175.024 174.900 0.006 0.000 1.293 689 G CA -0.486 44.621 45.100 0.012 0.000 0.792 689 G HN 0.537 nan 8.290 nan 0.000 0.527 690 R N 2.863 123.364 120.500 0.002 0.000 2.288 690 R HA 0.472 4.810 4.340 -0.002 0.000 0.330 690 R C 0.694 176.980 176.300 -0.024 0.000 1.069 690 R CA 0.174 56.265 56.100 -0.015 0.000 0.941 690 R CB -0.426 29.860 30.300 -0.024 0.000 0.998 690 R HN 0.468 nan 8.270 nan 0.000 0.452 691 T N 3.718 118.259 114.554 -0.021 0.000 2.848 691 T HA -0.092 4.256 4.350 -0.002 0.000 0.340 691 T C 1.901 176.578 174.700 -0.039 0.000 1.091 691 T CA -0.091 62.002 62.100 -0.013 0.000 1.123 691 T CB 0.314 69.178 68.868 -0.006 0.000 1.042 691 T HN 0.339 nan 8.240 nan 0.000 0.544 692 L N 1.556 122.786 121.223 0.012 0.000 1.970 692 L HA -0.074 4.265 4.340 -0.002 0.000 0.212 692 L C 2.467 179.272 176.870 -0.108 0.000 1.071 692 L CA 1.676 56.528 54.840 0.021 0.000 0.751 692 L CB -1.363 40.825 42.059 0.216 0.000 0.889 692 L HN 0.691 nan 8.230 nan 0.000 0.432 693 E N 0.292 120.459 120.200 -0.054 0.000 2.136 693 E HA -0.296 4.053 4.350 -0.002 0.000 0.202 693 E C 2.096 178.560 176.600 -0.227 0.000 1.019 693 E CA 1.878 58.153 56.400 -0.208 0.000 0.819 693 E CB -0.334 29.335 29.700 -0.051 0.000 0.739 693 E HN 0.624 nan 8.360 nan 0.000 0.458 694 E N 0.473 120.580 120.200 -0.156 0.000 2.001 694 E HA -0.184 4.165 4.350 -0.002 0.000 0.195 694 E C 2.393 178.843 176.600 -0.251 0.000 1.002 694 E CA 1.548 57.855 56.400 -0.154 0.000 0.819 694 E CB -0.165 29.475 29.700 -0.100 0.000 0.769 694 E HN 0.234 nan 8.360 nan 0.000 0.454 695 S N 2.151 117.658 115.700 -0.322 0.000 2.380 695 S HA -0.221 4.247 4.470 -0.002 0.000 0.229 695 S C 2.070 176.042 174.600 -1.047 0.000 1.043 695 S CA 1.108 58.932 58.200 -0.628 0.000 1.038 695 S CB -0.662 62.162 63.200 -0.627 0.000 0.872 695 S HN 0.235 nan 8.310 nan 0.000 0.456 696 L N 1.809 122.571 121.223 -0.768 0.000 2.043 696 L HA -0.163 4.175 4.340 -0.002 0.000 0.212 696 L C 2.552 179.229 176.870 -0.322 0.000 1.075 696 L CA 2.181 56.689 54.840 -0.553 0.000 0.752 696 L CB -1.120 40.623 42.059 -0.527 0.000 0.891 696 L HN 0.364 nan 8.230 nan 0.000 0.432 697 E N 0.200 120.228 120.200 -0.286 0.000 2.015 697 E HA -0.204 4.145 4.350 -0.002 0.000 0.191 697 E C 1.839 178.384 176.600 -0.092 0.000 0.991 697 E CA 1.330 57.639 56.400 -0.152 0.000 0.802 697 E CB -0.292 29.327 29.700 -0.135 0.000 0.759 697 E HN 0.584 nan 8.360 nan 0.000 0.447 698 N N 0.757 119.380 118.700 -0.127 0.000 2.058 698 N HA -0.232 4.506 4.740 -0.002 0.000 0.200 698 N C 1.897 177.480 175.510 0.121 0.000 1.033 698 N CA 1.724 54.761 53.050 -0.021 0.000 0.880 698 N CB -1.042 37.424 38.487 -0.034 0.000 1.069 698 N HN 0.386 nan 8.380 nan 0.000 0.461 699 Y N 0.348 120.640 120.300 -0.012 0.000 2.096 699 Y HA -0.236 4.312 4.550 -0.002 0.000 0.278 699 Y C 2.154 178.057 175.900 0.006 0.000 1.192 699 Y CA 0.244 58.343 58.100 -0.001 0.000 1.143 699 Y CB -0.235 38.224 38.460 -0.000 0.000 0.963 699 Y HN 0.095 nan 8.280 nan 0.000 0.505 700 I N -0.098 120.567 120.570 0.158 0.000 2.252 700 I HA -0.253 3.915 4.170 -0.002 0.000 0.245 700 I C 2.328 178.499 176.117 0.090 0.000 1.102 700 I CA 1.211 62.570 61.300 0.098 0.000 1.385 700 I CB -1.226 36.803 38.000 0.047 0.000 1.064 700 I HN 0.311 nan 8.210 nan 0.000 0.414 701 L N 0.632 121.891 121.223 0.060 0.000 1.933 701 L HA -0.293 4.045 4.340 -0.002 0.000 0.220 701 L C 2.283 179.186 176.870 0.054 0.000 1.078 701 L CA 1.893 56.756 54.840 0.039 0.000 0.773 701 L CB -0.831 41.234 42.059 0.011 0.000 0.890 701 L HN 0.169 nan 8.230 nan 0.000 0.434 702 D N -0.483 119.954 120.400 0.062 0.000 2.321 702 D HA -0.257 4.382 4.640 -0.002 0.000 0.194 702 D C 1.964 178.302 176.300 0.064 0.000 1.013 702 D CA 2.311 56.345 54.000 0.057 0.000 0.863 702 D CB -0.732 40.111 40.800 0.070 0.000 1.011 702 D HN 0.285 nan 8.370 nan 0.000 0.457 703 T N 0.621 115.223 114.554 0.079 0.000 2.635 703 T HA -0.253 4.095 4.350 -0.002 0.000 0.265 703 T C 2.060 176.828 174.700 0.115 0.000 1.058 703 T CA 1.465 63.615 62.100 0.084 0.000 1.162 703 T CB -0.616 68.306 68.868 0.089 0.000 0.859 703 T HN 0.126 nan 8.240 nan 0.000 0.449 704 L N 0.543 121.858 121.223 0.153 0.000 1.988 704 L HA -0.104 4.234 4.340 -0.002 0.000 0.207 704 L C 2.712 179.648 176.870 0.109 0.000 1.071 704 L CA 1.442 56.435 54.840 0.255 0.000 0.744 704 L CB -0.741 41.529 42.059 0.351 0.000 0.893 704 L HN 0.193 nan 8.230 nan 0.000 0.433 705 D N 0.673 121.087 120.400 0.022 0.000 2.192 705 D HA -0.249 4.390 4.640 -0.002 0.000 0.189 705 D C 2.096 178.394 176.300 -0.002 0.000 1.007 705 D CA 1.807 55.791 54.000 -0.027 0.000 0.859 705 D CB -0.026 40.764 40.800 -0.017 0.000 0.936 705 D HN 0.361 nan 8.370 nan 0.000 0.447 706 K N -0.207 120.209 120.400 0.027 0.000 2.296 706 K HA 0.066 4.384 4.320 -0.002 0.000 0.200 706 K C 1.994 178.622 176.600 0.047 0.000 1.048 706 K CA 0.202 56.507 56.287 0.030 0.000 0.966 706 K CB 0.229 32.747 32.500 0.029 0.000 0.754 706 K HN 0.176 nan 8.250 nan 0.000 0.466 707 L N 0.975 122.246 121.223 0.081 0.000 2.592 707 L HA 0.080 4.418 4.340 -0.002 0.000 0.227 707 L C 2.057 179.008 176.870 0.136 0.000 1.127 707 L CA 0.181 55.084 54.840 0.105 0.000 0.884 707 L CB -0.061 42.075 42.059 0.128 0.000 1.065 707 L HN 0.174 nan 8.230 nan 0.000 0.457 708 R N -0.835 119.727 120.500 0.104 0.000 2.146 708 R HA 0.027 4.365 4.340 -0.002 0.000 0.206 708 R C 2.291 178.607 176.300 0.026 0.000 1.049 708 R CA 0.974 57.121 56.100 0.079 0.000 1.029 708 R CB -0.610 29.651 30.300 -0.066 0.000 0.949 708 R HN 0.145 nan 8.270 nan 0.000 0.471 709 S N 0.306 116.013 115.700 0.011 0.000 2.406 709 S HA -0.066 4.402 4.470 -0.002 0.000 0.228 709 S C 1.653 176.269 174.600 0.026 0.000 1.020 709 S CA 1.250 59.456 58.200 0.010 0.000 0.965 709 S CB -0.546 62.657 63.200 0.005 0.000 0.798 709 S HN 0.331 nan 8.310 nan 0.000 0.488 710 T N 2.048 116.623 114.554 0.034 0.000 3.051 710 T HA 0.225 4.574 4.350 -0.002 0.000 0.269 710 T C 1.919 176.639 174.700 0.033 0.000 1.127 710 T CA 0.976 63.097 62.100 0.036 0.000 1.107 710 T CB -0.451 68.439 68.868 0.038 0.000 0.898 710 T HN 0.639 nan 8.240 nan 0.000 0.517 711 A N 1.239 124.077 122.820 0.030 0.000 1.903 711 A HA 0.330 4.648 4.320 -0.002 0.000 0.213 711 A C 2.608 180.203 177.584 0.018 0.000 1.185 711 A CA 1.254 53.299 52.037 0.013 0.000 0.628 711 A CB -1.147 17.862 19.000 0.014 0.000 0.830 711 A HN 0.466 nan 8.150 nan 0.000 0.446 712 G N 0.152 108.969 108.800 0.028 0.000 2.440 712 G HA2 -0.252 3.706 3.960 -0.002 0.000 0.218 712 G HA3 -0.252 3.706 3.960 -0.002 0.000 0.218 712 G C 0.959 175.901 174.900 0.070 0.000 1.154 712 G CA 1.171 46.299 45.100 0.048 0.000 0.767 712 G HN 0.437 nan 8.290 nan 0.000 0.552 713 D N 0.218 120.655 120.400 0.062 0.000 2.403 713 D HA -0.028 4.610 4.640 -0.002 0.000 0.227 713 D C 2.177 178.531 176.300 0.089 0.000 0.995 713 D CA 0.368 54.411 54.000 0.072 0.000 0.928 713 D CB 0.192 41.027 40.800 0.057 0.000 0.887 713 D HN 0.372 nan 8.370 nan 0.000 0.529 714 I N -0.033 120.585 120.570 0.080 0.000 2.900 714 I HA 0.004 4.173 4.170 -0.002 0.000 0.251 714 I C 2.412 178.608 176.117 0.132 0.000 1.102 714 I CA 0.340 61.703 61.300 0.105 0.000 1.457 714 I CB -0.755 37.251 38.000 0.009 0.000 1.285 714 I HN -0.132 nan 8.210 nan 0.000 0.459 715 A N 1.904 124.757 122.820 0.054 0.000 1.873 715 A HA -0.255 4.064 4.320 -0.002 0.000 0.218 715 A C 2.375 179.981 177.584 0.037 0.000 1.193 715 A CA 2.744 54.805 52.037 0.040 0.000 0.629 715 A CB -1.134 17.884 19.000 0.029 0.000 0.826 715 A HN 0.565 nan 8.150 nan 0.000 0.447 716 S N -0.666 115.074 115.700 0.066 0.000 2.571 716 S HA -0.085 4.384 4.470 -0.002 0.000 0.245 716 S C 1.258 175.785 174.600 -0.121 0.000 0.976 716 S CA 1.507 59.708 58.200 0.001 0.000 0.954 716 S CB -0.259 63.114 63.200 0.287 0.000 0.756 716 S HN 0.636 nan 8.310 nan 0.000 0.535 717 K N -0.857 119.554 120.400 0.019 0.000 2.358 717 K HA 0.260 4.578 4.320 -0.002 0.000 0.200 717 K C -0.117 176.395 176.600 -0.147 0.000 1.030 717 K CA 0.081 56.350 56.287 -0.029 0.000 1.097 717 K CB 0.380 32.894 32.500 0.023 0.000 0.862 717 K HN 0.432 nan 8.250 nan 0.000 0.534 718 Y N -0.601 119.623 120.300 -0.126 0.000 2.499 718 Y HA 0.221 4.770 4.550 -0.002 0.000 0.253 718 Y C -0.115 175.708 175.900 -0.127 0.000 1.105 718 Y CA -0.731 57.312 58.100 -0.094 0.000 1.240 718 Y CB 0.802 39.225 38.460 -0.062 0.000 1.289 718 Y HN -0.130 nan 8.280 nan 0.000 0.534 719 L N 3.472 124.639 121.223 -0.094 0.000 2.302 719 L HA 0.221 4.560 4.340 -0.002 0.000 0.285 719 L C -0.340 176.339 176.870 -0.318 0.000 1.090 719 L CA -0.918 53.797 54.840 -0.209 0.000 0.866 719 L CB -0.403 41.459 42.059 -0.329 0.000 1.244 719 L HN 0.132 nan 8.230 nan 0.000 0.435 720 D N 4.839 125.177 120.400 -0.103 0.000 2.662 720 D HA -0.113 4.525 4.640 -0.002 0.000 0.237 720 D C -1.952 174.396 176.300 0.080 0.000 1.154 720 D CA -1.237 52.765 54.000 0.002 0.000 0.861 720 D CB 0.315 41.158 40.800 0.071 0.000 1.146 720 D HN 0.312 nan 8.370 nan 0.000 0.518 721 P HA -0.099 nan 4.420 nan 0.000 0.231 721 P C 0.108 177.482 177.300 0.122 0.000 1.154 721 P CA 0.790 64.085 63.100 0.326 0.000 0.762 721 P CB -0.132 31.704 31.700 0.226 0.000 0.790 722 F N -1.633 118.373 119.950 0.093 0.000 2.654 722 F HA 0.146 4.671 4.527 -0.003 0.000 0.303 722 F C 1.118 176.862 175.800 -0.093 0.000 1.099 722 F CA -0.709 57.297 58.000 0.011 0.000 1.270 722 F CB -0.305 38.681 39.000 -0.024 0.000 1.024 722 F HN -0.093 nan 8.300 nan 0.000 0.548 723 N N 0.044 118.809 118.700 0.109 0.000 2.434 723 N HA 0.050 4.789 4.740 -0.002 0.000 0.272 723 N C 0.963 176.492 175.510 0.033 0.000 1.040 723 N CA -0.319 52.743 53.050 0.021 0.000 0.956 723 N CB 0.720 39.272 38.487 0.108 0.000 1.108 723 N HN -0.001 nan 8.380 nan 0.000 0.481 724 F N 2.772 122.708 119.950 -0.025 0.000 2.240 724 F HA -0.421 4.104 4.527 -0.002 0.000 0.294 724 F C 2.670 178.473 175.800 0.005 0.000 1.180 724 F CA 2.526 60.442 58.000 -0.141 0.000 1.295 724 F CB -1.011 37.816 39.000 -0.288 0.000 0.906 724 F HN 0.710 nan 8.300 nan 0.000 0.553 725 A N -1.712 121.267 122.820 0.264 0.000 2.009 725 A HA -0.320 3.998 4.320 -0.002 0.000 0.222 725 A C 1.906 179.604 177.584 0.190 0.000 1.175 725 A CA 2.140 54.297 52.037 0.201 0.000 0.651 725 A CB -1.447 17.663 19.000 0.183 0.000 0.815 725 A HN 0.663 nan 8.150 nan 0.000 0.459 726 Y N -1.324 119.035 120.300 0.099 0.000 2.466 726 Y HA 0.246 4.795 4.550 -0.002 0.000 0.272 726 Y C 1.779 177.721 175.900 0.069 0.000 1.169 726 Y CA 0.451 58.596 58.100 0.074 0.000 1.285 726 Y CB 0.391 38.887 38.460 0.060 0.000 1.078 726 Y HN 0.100 nan 8.280 nan 0.000 0.523 727 V N -0.870 119.119 119.914 0.126 0.000 2.695 727 V HA -0.195 3.924 4.120 -0.002 0.000 0.230 727 V C 2.039 178.252 176.094 0.199 0.000 1.110 727 V CA 1.247 63.644 62.300 0.163 0.000 1.159 727 V CB -0.314 31.627 31.823 0.197 0.000 0.875 727 V HN 0.266 nan 8.190 nan 0.000 0.502 728 M N 0.512 120.288 119.600 0.294 0.000 2.146 728 M HA -0.223 4.255 4.480 -0.002 0.000 0.251 728 M C 1.025 177.397 176.300 0.120 0.000 1.083 728 M CA 1.964 57.431 55.300 0.277 0.000 1.076 728 M CB -0.469 32.306 32.600 0.292 0.000 1.332 728 M HN 0.418 nan 8.290 nan 0.000 0.400 729 A N 0.564 123.405 122.820 0.036 0.000 2.328 729 A HA 0.444 4.763 4.320 -0.002 0.000 0.284 729 A C 0.150 177.648 177.584 -0.144 0.000 1.160 729 A CA -0.385 51.611 52.037 -0.069 0.000 0.818 729 A CB 0.262 19.183 19.000 -0.132 0.000 1.087 729 A HN 0.558 nan 8.150 nan 0.000 0.504 730 R N 0.782 121.208 120.500 -0.122 0.000 3.144 730 R HA -0.137 4.201 4.340 -0.002 0.000 0.255 730 R C 0.142 176.374 176.300 -0.114 0.000 0.949 730 R CA 0.926 56.947 56.100 -0.133 0.000 0.649 730 R CB -2.176 28.001 30.300 -0.204 0.000 1.229 730 R HN 1.017 nan 8.270 nan 0.000 0.440 731 T N -3.334 111.162 114.554 -0.097 0.000 4.092 731 T HA 0.215 4.563 4.350 -0.002 0.000 0.304 731 T C 0.885 175.530 174.700 -0.092 0.000 0.902 731 T CA 1.085 63.087 62.100 -0.164 0.000 0.772 731 T CB 0.110 68.911 68.868 -0.113 0.000 1.138 731 T HN 0.989 nan 8.240 nan 0.000 0.781 732 G N 1.698 110.468 108.800 -0.050 0.000 4.677 732 G HA2 -0.019 3.939 3.960 -0.002 0.000 0.215 732 G HA3 -0.019 3.939 3.960 -0.002 0.000 0.215 732 G C 1.433 176.334 174.900 0.002 0.000 1.506 732 G CA 1.205 46.287 45.100 -0.031 0.000 1.016 732 G HN 1.596 nan 8.290 nan 0.000 0.653 733 A N 0.392 123.228 122.820 0.028 0.000 2.818 733 A HA -0.034 4.285 4.320 -0.002 0.000 0.286 733 A C 1.191 178.802 177.584 0.046 0.000 2.020 733 A CA 4.173 56.244 52.037 0.057 0.000 1.039 733 A CB -0.847 18.230 19.000 0.129 0.000 0.577 733 A HN 2.262 nan 8.150 nan 0.000 0.390 734 R N -1.806 118.734 120.500 0.066 0.000 2.629 734 R HA 0.543 4.881 4.340 -0.002 0.000 0.266 734 R C -0.395 175.937 176.300 0.054 0.000 1.051 734 R CA 1.130 57.261 56.100 0.053 0.000 0.895 734 R CB 1.344 31.681 30.300 0.063 0.000 1.246 734 R HN 2.625 nan 8.270 nan 0.000 0.459 735 G N 0.574 109.395 108.800 0.035 0.000 2.576 735 G HA2 0.224 4.183 3.960 -0.002 0.000 0.686 735 G HA3 0.224 4.183 3.960 -0.002 0.000 0.686 735 G C -1.499 173.403 174.900 0.003 0.000 1.242 735 G CA -0.261 44.857 45.100 0.030 0.000 0.819 735 G HN 0.707 nan 8.290 nan 0.000 0.655 736 S N -0.657 115.045 115.700 0.004 0.000 2.547 736 S HA 0.652 5.121 4.470 -0.002 0.000 0.281 736 S C 1.556 176.150 174.600 -0.010 0.000 1.118 736 S CA 0.459 58.653 58.200 -0.011 0.000 0.947 736 S CB 1.666 64.867 63.200 0.001 0.000 1.053 736 S HN 2.088 nan 8.310 nan 0.000 0.482 737 V N 3.837 123.734 119.914 -0.030 0.000 2.392 737 V HA -0.099 4.019 4.120 -0.002 0.000 0.249 737 V C 2.074 178.181 176.094 0.022 0.000 1.059 737 V CA 1.285 63.582 62.300 -0.004 0.000 1.051 737 V CB -1.137 30.684 31.823 -0.003 0.000 0.658 737 V HN 0.811 nan 8.190 nan 0.000 0.455 738 L N 2.694 123.923 121.223 0.010 0.000 2.270 738 L HA -0.161 4.178 4.340 -0.002 0.000 0.217 738 L C 2.313 179.193 176.870 0.016 0.000 1.107 738 L CA 2.618 57.463 54.840 0.008 0.000 0.772 738 L CB -1.625 40.434 42.059 0.001 0.000 0.902 738 L HN 0.874 nan 8.230 nan 0.000 0.439 739 N N -1.922 116.798 118.700 0.034 0.000 2.166 739 N HA -0.042 4.697 4.740 -0.002 0.000 0.213 739 N C 1.410 176.968 175.510 0.079 0.000 1.222 739 N CA -0.134 52.953 53.050 0.062 0.000 0.900 739 N CB 0.318 38.857 38.487 0.086 0.000 1.055 739 N HN 0.112 nan 8.380 nan 0.000 0.515 740 I N 1.794 122.407 120.570 0.073 0.000 2.546 740 I HA -0.081 4.088 4.170 -0.002 0.000 0.255 740 I C 1.746 177.929 176.117 0.110 0.000 1.163 740 I CA 0.885 62.251 61.300 0.110 0.000 1.457 740 I CB -1.030 37.044 38.000 0.124 0.000 1.092 740 I HN 0.119 nan 8.210 nan 0.000 0.434 741 T N 0.345 114.943 114.554 0.073 0.000 2.612 741 T HA -0.151 4.197 4.350 -0.002 0.000 0.251 741 T C 1.793 176.486 174.700 -0.012 0.000 1.090 741 T CA 0.940 63.062 62.100 0.037 0.000 1.198 741 T CB -0.257 68.622 68.868 0.018 0.000 0.878 741 T HN 0.271 nan 8.240 nan 0.000 0.401 742 Q N 0.193 119.962 119.800 -0.052 0.000 2.231 742 Q HA -0.272 4.067 4.340 -0.002 0.000 0.217 742 Q C 2.307 178.192 176.000 -0.193 0.000 1.013 742 Q CA 1.923 57.622 55.803 -0.174 0.000 0.917 742 Q CB -0.391 28.270 28.738 -0.128 0.000 0.968 742 Q HN 0.525 nan 8.270 nan 0.000 0.414 743 M N -0.811 118.800 119.600 0.019 0.000 2.101 743 M HA -0.178 4.300 4.480 -0.002 0.000 0.259 743 M C 2.377 178.706 176.300 0.049 0.000 1.083 743 M CA 1.646 57.016 55.300 0.116 0.000 1.114 743 M CB -0.415 32.286 32.600 0.168 0.000 1.281 743 M HN 0.296 nan 8.290 nan 0.000 0.422 744 A N -0.078 122.774 122.820 0.052 0.000 1.883 744 A HA 0.098 4.416 4.320 -0.002 0.000 0.217 744 A C 1.020 178.592 177.584 -0.020 0.000 1.186 744 A CA 1.760 53.815 52.037 0.030 0.000 0.624 744 A CB -0.649 18.381 19.000 0.050 0.000 0.822 744 A HN 0.561 nan 8.150 nan 0.000 0.444 745 A N -0.671 122.126 122.820 -0.038 0.000 2.411 745 A HA 0.595 4.913 4.320 -0.002 0.000 0.285 745 A C 0.013 177.555 177.584 -0.070 0.000 1.129 745 A CA -0.118 51.878 52.037 -0.069 0.000 0.736 745 A CB -0.250 18.709 19.000 -0.069 0.000 1.186 745 A HN 1.721 nan 8.150 nan 0.000 0.445 746 M N 1.534 121.089 119.600 -0.075 0.000 4.059 746 M HA -0.202 4.276 4.480 -0.002 0.000 0.157 746 M C -0.826 175.378 176.300 -0.161 0.000 1.530 746 M CA 0.996 56.262 55.300 -0.056 0.000 1.098 746 M CB -1.034 31.627 32.600 0.102 0.000 1.344 746 M HN 0.542 nan 8.290 nan 0.000 0.190 747 L N 2.860 123.929 121.223 -0.258 0.000 2.004 747 L HA 0.421 4.759 4.340 -0.002 0.000 0.205 747 L C 1.408 178.104 176.870 -0.291 0.000 1.089 747 L CA 0.920 55.539 54.840 -0.368 0.000 0.756 747 L CB -1.081 40.669 42.059 -0.516 0.000 0.900 747 L HN 1.342 nan 8.230 nan 0.000 0.440 748 G N 0.797 109.403 108.800 -0.325 0.000 3.269 748 G HA2 -0.021 3.938 3.960 -0.002 0.000 0.668 748 G HA3 -0.021 3.938 3.960 -0.002 0.000 0.668 748 G C -0.515 173.805 174.900 -0.967 0.000 1.100 748 G CA -0.215 44.362 45.100 -0.871 0.000 0.940 748 G HN 0.556 nan 8.290 nan 0.000 0.438 749 Q N -0.459 118.760 119.800 -0.968 0.000 3.050 749 Q HA -0.134 4.204 4.340 -0.002 0.000 0.074 749 Q C -0.304 175.546 176.000 -0.250 0.000 1.613 749 Q CA 1.348 56.871 55.803 -0.468 0.000 0.348 749 Q CB -0.241 28.212 28.738 -0.475 0.000 0.599 749 Q HN 0.880 nan 8.270 nan 0.000 0.321 750 Q N 2.450 122.148 119.800 -0.170 0.000 2.560 750 Q HA 0.358 4.696 4.340 -0.002 0.000 0.238 750 Q C -0.437 175.504 176.000 -0.098 0.000 1.079 750 Q CA -0.075 55.676 55.803 -0.087 0.000 0.866 750 Q CB 1.600 30.337 28.738 -0.003 0.000 1.153 750 Q HN 0.599 nan 8.270 nan 0.000 0.530 751 S N 1.248 116.896 115.700 -0.087 0.000 2.585 751 S HA 0.532 5.001 4.470 -0.002 0.000 0.273 751 S C 0.009 174.577 174.600 -0.054 0.000 1.339 751 S CA -0.386 57.770 58.200 -0.073 0.000 1.028 751 S CB 0.600 63.761 63.200 -0.065 0.000 0.906 751 S HN 0.398 nan 8.310 nan 0.000 0.528 752 V N 2.768 122.653 119.914 -0.047 0.000 3.048 752 V HA 0.711 4.829 4.120 -0.002 0.000 0.303 752 V C 0.420 176.494 176.094 -0.033 0.000 1.214 752 V CA -0.340 61.937 62.300 -0.039 0.000 0.984 752 V CB 1.288 33.089 31.823 -0.037 0.000 1.054 752 V HN 1.136 nan 8.190 nan 0.000 0.430 753 R N 2.105 122.587 120.500 -0.030 0.000 3.471 753 R HA -0.186 4.153 4.340 -0.002 0.000 0.317 753 R C 1.274 177.558 176.300 -0.026 0.000 0.656 753 R CA 2.477 58.561 56.100 -0.026 0.000 1.624 753 R CB -1.666 28.621 30.300 -0.022 0.000 1.657 753 R HN 2.694 nan 8.270 nan 0.000 0.468 754 G N -0.794 107.988 108.800 -0.030 0.000 2.902 754 G HA2 -0.099 3.860 3.960 -0.002 0.000 0.215 754 G HA3 -0.099 3.860 3.960 -0.002 0.000 0.215 754 G C -0.164 174.716 174.900 -0.034 0.000 0.976 754 G CA 0.234 45.316 45.100 -0.030 0.000 0.794 754 G HN 0.324 nan 8.290 nan 0.000 0.557 755 E N 0.160 120.339 120.200 -0.035 0.000 2.518 755 E HA 0.610 4.958 4.350 -0.002 0.000 0.248 755 E C 0.278 176.849 176.600 -0.048 0.000 1.028 755 E CA -0.721 55.656 56.400 -0.039 0.000 0.922 755 E CB 1.148 30.828 29.700 -0.033 0.000 1.299 755 E HN 0.266 nan 8.360 nan 0.000 0.457 756 R N 0.204 120.672 120.500 -0.053 0.000 2.583 756 R HA 0.308 4.646 4.340 -0.002 0.000 0.268 756 R C 0.268 176.530 176.300 -0.063 0.000 1.101 756 R CA -0.721 55.336 56.100 -0.072 0.000 1.180 756 R CB 0.354 30.611 30.300 -0.072 0.000 1.128 756 R HN 0.385 nan 8.270 nan 0.000 0.568 757 I N 3.818 124.327 120.570 -0.101 0.000 2.472 757 I HA -0.052 4.117 4.170 -0.002 0.000 0.305 757 I C 0.822 176.964 176.117 0.042 0.000 1.196 757 I CA 0.523 61.802 61.300 -0.035 0.000 1.613 757 I CB -1.396 36.550 38.000 -0.091 0.000 1.501 757 I HN 0.502 nan 8.210 nan 0.000 0.754 758 K N 6.633 127.055 120.400 0.038 0.000 2.140 758 K HA 0.373 4.692 4.320 -0.002 0.000 0.237 758 K C 0.563 177.213 176.600 0.085 0.000 1.045 758 K CA -0.882 55.437 56.287 0.054 0.000 0.896 758 K CB 0.478 32.991 32.500 0.021 0.000 1.122 758 K HN 0.307 nan 8.250 nan 0.000 0.503 759 R N -0.831 119.711 120.500 0.070 0.000 2.542 759 R HA -0.148 4.191 4.340 -0.002 0.000 0.283 759 R C 0.484 176.812 176.300 0.046 0.000 0.978 759 R CA 1.169 57.309 56.100 0.066 0.000 1.081 759 R CB -0.963 29.354 30.300 0.028 0.000 0.891 759 R HN 1.066 nan 8.270 nan 0.000 0.432 760 G N -1.009 107.802 108.800 0.018 0.000 4.225 760 G HA2 0.072 4.030 3.960 -0.002 0.000 0.177 760 G HA3 0.072 4.030 3.960 -0.002 0.000 0.177 760 G C -0.510 174.214 174.900 -0.292 0.000 0.949 760 G CA -0.294 44.735 45.100 -0.118 0.000 0.796 760 G HN 0.495 nan 8.290 nan 0.000 0.504 761 Y N 0.041 120.343 120.300 0.004 0.000 2.750 761 Y HA 0.452 5.000 4.550 -0.002 0.000 0.247 761 Y C 0.744 176.624 175.900 -0.033 0.000 1.098 761 Y CA -0.706 57.385 58.100 -0.014 0.000 1.120 761 Y CB 0.494 38.942 38.460 -0.019 0.000 1.210 761 Y HN 0.149 nan 8.280 nan 0.000 0.601 762 M N 1.458 121.099 119.600 0.068 0.000 3.044 762 M HA -0.265 4.214 4.480 -0.002 0.000 0.177 762 M C -0.494 175.746 176.300 -0.100 0.000 1.219 762 M CA 1.434 56.734 55.300 0.000 0.000 0.764 762 M CB -1.479 31.134 32.600 0.022 0.000 1.242 762 M HN 0.453 nan 8.290 nan 0.000 0.731 763 T N 1.544 116.034 114.554 -0.106 0.000 3.530 763 T HA -0.132 4.217 4.350 -0.002 0.000 0.410 763 T C 0.420 175.057 174.700 -0.104 0.000 0.765 763 T CA 1.092 63.066 62.100 -0.211 0.000 2.161 763 T CB -1.057 67.390 68.868 -0.702 0.000 1.725 763 T HN 0.966 nan 8.240 nan 0.000 0.748 764 R N -1.866 118.673 120.500 0.065 0.000 2.018 764 R HA 0.089 4.428 4.340 -0.002 0.000 0.108 764 R C 1.256 177.721 176.300 0.276 0.000 0.740 764 R CA 0.294 56.497 56.100 0.173 0.000 1.958 764 R CB -0.805 29.562 30.300 0.113 0.000 1.268 764 R HN 0.376 nan 8.270 nan 0.000 0.480 765 T N 1.083 115.792 114.554 0.258 0.000 12.792 765 T HA -0.215 4.133 4.350 -0.002 0.000 0.419 765 T C -0.023 174.840 174.700 0.273 0.000 1.441 765 T CA 2.002 64.281 62.100 0.299 0.000 2.374 765 T CB -0.664 68.477 68.868 0.454 0.000 2.832 765 T HN 0.223 nan 8.240 nan 0.000 0.733 766 L N 2.492 123.773 121.223 0.098 0.000 2.381 766 L HA 0.332 4.671 4.340 -0.002 0.000 0.274 766 L C -1.551 175.152 176.870 -0.278 0.000 0.988 766 L CA -1.906 52.835 54.840 -0.164 0.000 0.824 766 L CB 1.617 43.311 42.059 -0.608 0.000 1.263 766 L HN 0.128 nan 8.230 nan 0.000 0.410 767 P HA -0.184 nan 4.420 nan 0.000 0.225 767 P C 0.888 178.057 177.300 -0.220 0.000 1.141 767 P CA 1.323 64.202 63.100 -0.368 0.000 0.774 767 P CB 0.029 31.363 31.700 -0.610 0.000 0.760 768 H N -1.952 116.819 119.070 -0.499 0.000 2.555 768 H HA 0.139 4.693 4.556 -0.002 0.000 0.269 768 H C 0.862 176.124 175.328 -0.109 0.000 0.988 768 H CA -0.062 55.758 56.048 -0.380 0.000 1.178 768 H CB -0.137 29.336 29.762 -0.482 0.000 1.373 768 H HN 0.259 nan 8.280 nan 0.000 0.588 769 F N 0.880 120.882 119.950 0.087 0.000 2.557 769 F HA 0.307 4.832 4.527 -0.002 0.000 0.336 769 F C 0.648 176.469 175.800 0.035 0.000 1.058 769 F CA -1.401 56.639 58.000 0.066 0.000 0.988 769 F CB 1.612 40.665 39.000 0.087 0.000 1.275 769 F HN -0.223 nan 8.300 nan 0.000 0.488 770 K N 3.250 123.808 120.400 0.265 0.000 2.205 770 K HA 0.261 4.580 4.320 -0.002 0.000 0.279 770 K C -2.509 174.183 176.600 0.152 0.000 1.027 770 K CA -1.741 54.641 56.287 0.157 0.000 0.932 770 K CB 0.963 33.539 32.500 0.126 0.000 1.032 770 K HN 0.180 nan 8.250 nan 0.000 0.466 771 P HA -0.122 nan 4.420 nan 0.000 0.262 771 P C -1.195 176.220 177.300 0.193 0.000 1.182 771 P CA 0.598 63.736 63.100 0.062 0.000 0.761 771 P CB -0.081 31.671 31.700 0.088 0.000 0.795 772 Y N -0.577 119.781 120.300 0.097 0.000 2.916 772 Y HA -0.195 4.354 4.550 -0.002 0.000 0.095 772 Y C 0.070 176.014 175.900 0.073 0.000 2.013 772 Y CA 0.617 58.766 58.100 0.082 0.000 1.039 772 Y CB -1.979 36.523 38.460 0.070 0.000 1.689 772 Y HN 0.450 nan 8.280 nan 0.000 0.322 773 D N 2.388 122.881 120.400 0.154 0.000 2.323 773 D HA 0.409 5.048 4.640 -0.002 0.000 0.242 773 D C 0.310 176.642 176.300 0.053 0.000 1.347 773 D CA -0.535 53.521 54.000 0.093 0.000 0.988 773 D CB 0.432 41.264 40.800 0.053 0.000 1.314 773 D HN 0.143 nan 8.370 nan 0.000 0.564 774 I N 0.852 121.453 120.570 0.052 0.000 3.564 774 I HA 0.054 4.223 4.170 -0.002 0.000 0.294 774 I C 1.220 177.329 176.117 -0.014 0.000 1.289 774 I CA 0.111 61.423 61.300 0.020 0.000 1.325 774 I CB -1.613 36.396 38.000 0.015 0.000 1.039 774 I HN 0.304 nan 8.210 nan 0.000 0.474 775 S N 3.546 119.228 115.700 -0.030 0.000 2.553 775 S HA -0.012 4.457 4.470 -0.002 0.000 0.293 775 S C -0.597 173.952 174.600 -0.085 0.000 1.296 775 S CA -0.643 57.523 58.200 -0.058 0.000 1.046 775 S CB 0.657 63.806 63.200 -0.087 0.000 0.810 775 S HN 0.179 nan 8.310 nan 0.000 0.505 776 P HA -0.162 nan 4.420 nan 0.000 0.218 776 P C 1.069 178.239 177.300 -0.217 0.000 1.148 776 P CA 1.125 64.157 63.100 -0.113 0.000 0.822 776 P CB -0.036 31.579 31.700 -0.142 0.000 0.784 777 E N 0.980 121.038 120.200 -0.236 0.000 2.086 777 E HA -0.174 4.175 4.350 -0.002 0.000 0.205 777 E C 1.564 178.056 176.600 -0.179 0.000 1.027 777 E CA 1.445 57.690 56.400 -0.258 0.000 0.830 777 E CB -1.434 28.135 29.700 -0.218 0.000 0.751 777 E HN 0.288 nan 8.360 nan 0.000 0.456 778 A N 0.403 123.074 122.820 -0.249 0.000 2.529 778 A HA 0.346 4.665 4.320 -0.002 0.000 0.269 778 A C 0.575 178.172 177.584 0.022 0.000 1.509 778 A CA 0.184 52.217 52.037 -0.007 0.000 0.857 778 A CB 0.279 19.157 19.000 -0.204 0.000 1.531 778 A HN 0.232 nan 8.150 nan 0.000 0.541 779 R N -1.339 119.278 120.500 0.194 0.000 3.891 779 R HA -0.233 4.105 4.340 -0.002 0.000 0.297 779 R C 0.746 176.730 176.300 -0.528 0.000 1.226 779 R CA 1.010 57.067 56.100 -0.072 0.000 0.848 779 R CB -2.646 27.641 30.300 -0.021 0.000 1.224 779 R HN 2.468 nan 8.270 nan 0.000 0.530 780 G N -0.552 107.434 108.800 -1.356 0.000 2.373 780 G HA2 0.070 4.029 3.960 -0.002 0.000 0.634 780 G HA3 0.070 4.029 3.960 -0.002 0.000 0.634 780 G C -0.363 174.264 174.900 -0.455 0.000 1.267 780 G CA -0.362 43.988 45.100 -1.251 0.000 1.008 780 G HN 0.598 nan 8.290 nan 0.000 0.497 781 F N -1.227 118.476 119.950 -0.411 0.000 2.163 781 F HA -0.104 4.422 4.527 -0.002 0.000 0.512 781 F C -0.205 175.406 175.800 -0.315 0.000 1.277 781 F CA -0.450 57.368 58.000 -0.304 0.000 1.643 781 F CB -0.674 38.133 39.000 -0.322 0.000 2.621 781 F HN 0.706 nan 8.300 nan 0.000 0.726 782 I N 7.577 128.278 120.570 0.218 0.000 2.440 782 I HA 0.146 4.314 4.170 -0.002 0.000 0.294 782 I C 0.538 176.792 176.117 0.230 0.000 0.995 782 I CA 0.235 61.612 61.300 0.129 0.000 1.306 782 I CB 0.948 38.954 38.000 0.010 0.000 1.407 782 I HN 0.520 nan 8.210 nan 0.000 0.501 783 Y N 1.407 121.843 120.300 0.227 0.000 2.507 783 Y HA 0.196 4.744 4.550 -0.002 0.000 0.263 783 Y C 1.165 177.106 175.900 0.069 0.000 1.093 783 Y CA -0.371 57.832 58.100 0.172 0.000 1.285 783 Y CB 0.534 39.054 38.460 0.099 0.000 1.115 783 Y HN 0.449 nan 8.280 nan 0.000 0.533 784 S N 1.026 116.834 115.700 0.181 0.000 2.565 784 S HA 0.177 4.646 4.470 -0.002 0.000 0.276 784 S C 0.171 174.735 174.600 -0.059 0.000 1.326 784 S CA -0.675 57.572 58.200 0.078 0.000 1.045 784 S CB 0.833 64.090 63.200 0.095 0.000 0.918 784 S HN 0.302 nan 8.310 nan 0.000 0.505 785 S N 2.021 117.681 115.700 -0.066 0.000 2.617 785 S HA 0.452 4.921 4.470 -0.002 0.000 0.283 785 S C 0.492 175.058 174.600 -0.056 0.000 1.189 785 S CA -0.821 57.286 58.200 -0.155 0.000 1.036 785 S CB 0.110 63.261 63.200 -0.082 0.000 1.014 785 S HN 0.612 nan 8.310 nan 0.000 0.522 786 F N 0.312 120.256 119.950 -0.011 0.000 2.549 786 F HA -0.091 4.435 4.527 -0.003 0.000 0.295 786 F C 2.576 178.386 175.800 0.016 0.000 1.124 786 F CA 0.006 58.005 58.000 -0.001 0.000 1.482 786 F CB -0.075 38.924 39.000 -0.002 0.000 1.108 786 F HN 0.504 nan 8.300 nan 0.000 0.602 787 R N 0.483 121.080 120.500 0.162 0.000 2.015 787 R HA 0.008 4.347 4.340 -0.002 0.000 0.212 787 R C 2.150 178.508 176.300 0.096 0.000 1.304 787 R CA 1.542 57.708 56.100 0.110 0.000 1.040 787 R CB -1.189 29.153 30.300 0.070 0.000 0.915 787 R HN 0.010 nan 8.270 nan 0.000 0.465 788 T N 0.195 114.791 114.554 0.070 0.000 2.701 788 T HA -0.175 4.173 4.350 -0.002 0.000 0.265 788 T C 0.670 175.427 174.700 0.095 0.000 1.032 788 T CA 2.026 64.170 62.100 0.072 0.000 1.158 788 T CB -0.783 68.119 68.868 0.057 0.000 0.854 788 T HN 0.708 nan 8.240 nan 0.000 0.463 789 G N 1.044 109.916 108.800 0.119 0.000 3.383 789 G HA2 -0.063 3.895 3.960 -0.002 0.000 0.685 789 G HA3 -0.063 3.895 3.960 -0.002 0.000 0.685 789 G C -0.556 174.425 174.900 0.136 0.000 1.104 789 G CA -0.869 44.312 45.100 0.134 0.000 0.957 789 G HN 0.372 nan 8.290 nan 0.000 0.461 790 L N 1.292 122.617 121.223 0.170 0.000 2.581 790 L HA 0.039 4.378 4.340 -0.002 0.000 0.299 790 L C 1.407 178.358 176.870 0.135 0.000 1.261 790 L CA 1.144 56.077 54.840 0.156 0.000 0.866 790 L CB 0.146 42.330 42.059 0.209 0.000 1.113 790 L HN 0.649 nan 8.230 nan 0.000 0.514 791 K N 3.751 124.230 120.400 0.131 0.000 2.090 791 K HA 0.231 4.550 4.320 -0.002 0.000 0.249 791 K C -1.467 175.189 176.600 0.093 0.000 0.995 791 K CA -1.519 54.836 56.287 0.113 0.000 0.914 791 K CB 0.558 33.132 32.500 0.124 0.000 1.057 791 K HN 0.277 nan 8.250 nan 0.000 0.462 792 P HA -0.193 nan 4.420 nan 0.000 0.217 792 P C 0.509 177.779 177.300 -0.050 0.000 1.148 792 P CA 1.522 64.635 63.100 0.021 0.000 0.834 792 P CB 0.298 32.010 31.700 0.020 0.000 0.783 793 T N -1.586 112.924 114.554 -0.073 0.000 3.004 793 T HA 0.009 4.358 4.350 -0.002 0.000 0.243 793 T C 1.535 176.181 174.700 -0.089 0.000 1.020 793 T CA 0.527 62.490 62.100 -0.227 0.000 1.145 793 T CB -0.512 68.221 68.868 -0.224 0.000 0.876 793 T HN 0.231 nan 8.240 nan 0.000 0.449 794 E N 1.232 121.507 120.200 0.125 0.000 2.219 794 E HA -0.116 4.232 4.350 -0.002 0.000 0.198 794 E C 2.014 178.773 176.600 0.264 0.000 0.998 794 E CA 0.750 57.314 56.400 0.273 0.000 0.818 794 E CB -0.234 29.590 29.700 0.206 0.000 0.741 794 E HN 0.350 nan 8.360 nan 0.000 0.477 795 L N -0.343 120.992 121.223 0.186 0.000 2.162 795 L HA -0.036 4.303 4.340 -0.002 0.000 0.205 795 L C 1.994 178.968 176.870 0.174 0.000 1.086 795 L CA 0.617 55.581 54.840 0.207 0.000 0.778 795 L CB 0.050 42.207 42.059 0.165 0.000 0.928 795 L HN 0.028 nan 8.230 nan 0.000 0.446 796 F N -1.101 118.841 119.950 -0.014 0.000 2.710 796 F HA 0.007 4.532 4.527 -0.002 0.000 0.298 796 F C 1.598 177.425 175.800 0.045 0.000 1.137 796 F CA 0.862 58.832 58.000 -0.049 0.000 1.444 796 F CB -0.011 38.882 39.000 -0.179 0.000 1.111 796 F HN 0.005 nan 8.300 nan 0.000 0.580 797 F N -1.413 118.574 119.950 0.061 0.000 2.123 797 F HA -0.115 4.410 4.527 -0.002 0.000 0.289 797 F C 2.627 178.430 175.800 0.005 0.000 1.099 797 F CA 0.878 58.900 58.000 0.035 0.000 1.234 797 F CB -0.490 38.579 39.000 0.115 0.000 1.034 797 F HN -0.055 nan 8.300 nan 0.000 0.479 798 H N 0.428 119.617 119.070 0.199 0.000 2.421 798 H HA -0.100 4.454 4.556 -0.002 0.000 0.298 798 H C 1.859 177.208 175.328 0.035 0.000 1.087 798 H CA 1.389 57.505 56.048 0.113 0.000 1.330 798 H CB -0.123 29.738 29.762 0.166 0.000 1.388 798 H HN 0.187 nan 8.280 nan 0.000 0.526 799 A N 0.015 122.753 122.820 -0.136 0.000 2.067 799 A HA 0.217 4.535 4.320 -0.002 0.000 0.217 799 A C 2.428 179.846 177.584 -0.277 0.000 1.156 799 A CA 0.931 52.817 52.037 -0.250 0.000 0.683 799 A CB -0.731 18.146 19.000 -0.205 0.000 0.808 799 A HN 0.535 nan 8.150 nan 0.000 0.455 800 A N -0.582 122.070 122.820 -0.279 0.000 2.119 800 A HA 0.305 4.623 4.320 -0.002 0.000 0.216 800 A C 2.146 179.653 177.584 -0.129 0.000 1.152 800 A CA 1.304 53.200 52.037 -0.236 0.000 0.708 800 A CB -0.805 18.072 19.000 -0.206 0.000 0.805 800 A HN 0.565 nan 8.150 nan 0.000 0.460 801 G N -0.200 108.531 108.800 -0.115 0.000 2.394 801 G HA2 0.090 4.049 3.960 -0.002 0.000 0.215 801 G HA3 0.090 4.049 3.960 -0.002 0.000 0.215 801 G C 1.429 176.266 174.900 -0.105 0.000 1.165 801 G CA 1.020 46.071 45.100 -0.082 0.000 0.784 801 G HN 0.609 nan 8.290 nan 0.000 0.535 802 G N 0.163 108.864 108.800 -0.165 0.000 2.572 802 G HA2 -0.063 3.896 3.960 -0.002 0.000 0.216 802 G HA3 -0.063 3.896 3.960 -0.002 0.000 0.216 802 G C 1.770 176.609 174.900 -0.103 0.000 1.133 802 G CA 0.681 45.701 45.100 -0.134 0.000 0.791 802 G HN 0.330 nan 8.290 nan 0.000 0.538 803 R N 1.139 121.573 120.500 -0.110 0.000 2.140 803 R HA -0.156 4.183 4.340 -0.002 0.000 0.250 803 R C 2.277 178.540 176.300 -0.063 0.000 1.150 803 R CA 1.982 58.030 56.100 -0.087 0.000 0.966 803 R CB -0.560 29.684 30.300 -0.093 0.000 0.869 803 R HN 0.596 nan 8.270 nan 0.000 0.445 804 E N -1.651 118.514 120.200 -0.057 0.000 2.000 804 E HA -0.151 4.197 4.350 -0.002 0.000 0.199 804 E C 1.952 178.528 176.600 -0.039 0.000 1.011 804 E CA 1.242 57.616 56.400 -0.044 0.000 0.836 804 E CB -0.685 28.991 29.700 -0.040 0.000 0.778 804 E HN 0.547 nan 8.360 nan 0.000 0.462 805 G N 1.790 110.566 108.800 -0.040 0.000 2.745 805 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.225 805 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.225 805 G C 1.563 176.443 174.900 -0.033 0.000 1.108 805 G CA 1.578 46.657 45.100 -0.035 0.000 0.749 805 G HN 0.090 nan 8.290 nan 0.000 0.625 806 L N -0.295 120.906 121.223 -0.037 0.000 1.994 806 L HA -0.085 4.254 4.340 -0.002 0.000 0.208 806 L C 2.989 179.842 176.870 -0.027 0.000 1.071 806 L CA 0.916 55.736 54.840 -0.033 0.000 0.745 806 L CB -0.840 41.197 42.059 -0.036 0.000 0.892 806 L HN 0.141 nan 8.230 nan 0.000 0.431 807 V N -0.191 119.706 119.914 -0.028 0.000 2.379 807 V HA -0.216 3.903 4.120 -0.002 0.000 0.245 807 V C 2.157 178.238 176.094 -0.022 0.000 1.044 807 V CA 1.674 63.959 62.300 -0.024 0.000 1.036 807 V CB -0.572 31.236 31.823 -0.024 0.000 0.664 807 V HN 0.418 nan 8.190 nan 0.000 0.453 808 D N 0.229 120.615 120.400 -0.023 0.000 2.117 808 D HA -0.149 4.490 4.640 -0.002 0.000 0.197 808 D C 2.226 178.515 176.300 -0.018 0.000 0.987 808 D CA 1.928 55.916 54.000 -0.020 0.000 0.829 808 D CB -0.543 40.244 40.800 -0.021 0.000 0.961 808 D HN 0.385 nan 8.370 nan 0.000 0.460 809 T N 0.715 115.257 114.554 -0.019 0.000 2.833 809 T HA -0.083 4.265 4.350 -0.002 0.000 0.269 809 T C 1.954 176.645 174.700 -0.016 0.000 1.054 809 T CA 1.367 63.456 62.100 -0.018 0.000 1.135 809 T CB -0.082 68.774 68.868 -0.020 0.000 0.869 809 T HN 0.230 nan 8.240 nan 0.000 0.466 810 A N 0.551 123.361 122.820 -0.016 0.000 1.903 810 A HA 0.146 4.464 4.320 -0.002 0.000 0.213 810 A C 2.493 180.070 177.584 -0.011 0.000 1.185 810 A CA 0.650 52.679 52.037 -0.014 0.000 0.628 810 A CB -0.533 18.458 19.000 -0.015 0.000 0.830 810 A HN 0.339 nan 8.150 nan 0.000 0.446 811 V N 0.329 120.235 119.914 -0.013 0.000 2.488 811 V HA -0.133 3.985 4.120 -0.002 0.000 0.246 811 V C 2.556 178.645 176.094 -0.009 0.000 1.046 811 V CA 1.362 63.655 62.300 -0.012 0.000 1.053 811 V CB -0.770 31.044 31.823 -0.016 0.000 0.679 811 V HN 0.396 nan 8.190 nan 0.000 0.458 812 R N 0.321 120.816 120.500 -0.008 0.000 2.139 812 R HA -0.145 4.193 4.340 -0.002 0.000 0.243 812 R C 2.285 178.588 176.300 0.005 0.000 1.145 812 R CA 1.813 57.911 56.100 -0.004 0.000 0.976 812 R CB -1.375 28.921 30.300 -0.007 0.000 0.866 812 R HN 0.497 nan 8.270 nan 0.000 0.449 813 T N 1.182 115.738 114.554 0.003 0.000 2.759 813 T HA -0.147 4.202 4.350 -0.002 0.000 0.269 813 T C 1.983 176.699 174.700 0.027 0.000 1.042 813 T CA 1.793 63.899 62.100 0.010 0.000 1.140 813 T CB -0.254 68.616 68.868 0.004 0.000 0.864 813 T HN 0.495 nan 8.240 nan 0.000 0.455 814 S N 1.832 117.547 115.700 0.025 0.000 2.400 814 S HA -0.219 4.250 4.470 -0.002 0.000 0.232 814 S C 1.954 176.604 174.600 0.084 0.000 1.025 814 S CA 1.089 59.314 58.200 0.042 0.000 0.993 814 S CB -0.441 62.765 63.200 0.011 0.000 0.808 814 S HN 0.635 nan 8.310 nan 0.000 0.478 815 Q N 0.405 120.245 119.800 0.066 0.000 2.259 815 Q HA 0.157 4.495 4.340 -0.002 0.000 0.201 815 Q C 2.406 178.484 176.000 0.131 0.000 0.938 815 Q CA 0.886 56.755 55.803 0.110 0.000 0.872 815 Q CB -0.284 28.481 28.738 0.045 0.000 0.971 815 Q HN 0.618 nan 8.270 nan 0.000 0.494 816 S N 0.589 116.331 115.700 0.070 0.000 2.382 816 S HA -0.110 4.358 4.470 -0.002 0.000 0.228 816 S C 1.893 176.517 174.600 0.039 0.000 1.027 816 S CA 1.484 59.711 58.200 0.045 0.000 0.991 816 S CB -0.372 62.840 63.200 0.019 0.000 0.823 816 S HN 0.517 nan 8.310 nan 0.000 0.469 817 G N -1.148 107.682 108.800 0.050 0.000 2.494 817 G HA2 -0.069 3.889 3.960 -0.002 0.000 0.216 817 G HA3 -0.069 3.889 3.960 -0.002 0.000 0.216 817 G C 1.213 176.130 174.900 0.028 0.000 1.140 817 G CA 0.528 45.645 45.100 0.029 0.000 0.801 817 G HN 0.611 nan 8.290 nan 0.000 0.536 818 Y N 0.715 121.010 120.300 -0.008 0.000 2.293 818 Y HA 0.047 4.596 4.550 -0.002 0.000 0.291 818 Y C 2.527 178.423 175.900 -0.007 0.000 1.137 818 Y CA 1.759 59.854 58.100 -0.007 0.000 1.202 818 Y CB 0.035 38.490 38.460 -0.008 0.000 0.990 818 Y HN 0.215 nan 8.280 nan 0.000 0.537 819 M N -0.658 118.931 119.600 -0.019 0.000 2.287 819 M HA -0.136 4.342 4.480 -0.002 0.000 0.266 819 M C 2.209 178.447 176.300 -0.104 0.000 1.079 819 M CA 1.534 56.796 55.300 -0.064 0.000 1.146 819 M CB -0.115 32.501 32.600 0.027 0.000 1.374 819 M HN 0.349 nan 8.290 nan 0.000 0.435 820 Q N 0.389 120.145 119.800 -0.074 0.000 2.016 820 Q HA -0.242 4.097 4.340 -0.002 0.000 0.200 820 Q C 2.086 178.026 176.000 -0.099 0.000 0.978 820 Q CA 1.891 57.655 55.803 -0.066 0.000 0.833 820 Q CB -0.138 28.575 28.738 -0.042 0.000 0.895 820 Q HN 0.471 nan 8.270 nan 0.000 0.427 821 R N 0.388 120.812 120.500 -0.127 0.000 2.185 821 R HA -0.186 4.153 4.340 -0.002 0.000 0.247 821 R C 1.884 178.078 176.300 -0.177 0.000 1.159 821 R CA 1.665 57.679 56.100 -0.143 0.000 0.988 821 R CB -0.044 30.157 30.300 -0.165 0.000 0.871 821 R HN 0.195 nan 8.270 nan 0.000 0.458 822 R N -0.414 119.943 120.500 -0.238 0.000 2.082 822 R HA -0.059 4.280 4.340 -0.002 0.000 0.218 822 R C 2.175 178.408 176.300 -0.111 0.000 1.171 822 R CA 1.543 57.519 56.100 -0.206 0.000 0.914 822 R CB -0.693 29.461 30.300 -0.243 0.000 0.806 822 R HN 0.175 nan 8.270 nan 0.000 0.453 823 L N 0.683 121.857 121.223 -0.082 0.000 2.137 823 L HA -0.214 4.125 4.340 -0.002 0.000 0.213 823 L C 2.148 178.994 176.870 -0.041 0.000 1.085 823 L CA 1.551 56.363 54.840 -0.046 0.000 0.760 823 L CB -1.027 41.015 42.059 -0.028 0.000 0.893 823 L HN 0.236 nan 8.230 nan 0.000 0.434 824 I N 0.291 120.830 120.570 -0.051 0.000 2.236 824 I HA -0.288 3.881 4.170 -0.002 0.000 0.249 824 I C 2.291 178.387 176.117 -0.036 0.000 1.102 824 I CA 1.364 62.640 61.300 -0.040 0.000 1.365 824 I CB -1.070 36.902 38.000 -0.046 0.000 1.051 824 I HN 0.550 nan 8.210 nan 0.000 0.420 825 N N 0.369 119.041 118.700 -0.047 0.000 2.234 825 N HA 0.007 4.746 4.740 -0.002 0.000 0.217 825 N C 1.817 177.309 175.510 -0.030 0.000 1.028 825 N CA 1.006 54.033 53.050 -0.037 0.000 1.080 825 N CB -0.369 38.089 38.487 -0.048 0.000 1.341 825 N HN 0.189 nan 8.380 nan 0.000 0.574 826 A N 1.564 124.363 122.820 -0.034 0.000 1.698 826 A HA -0.254 4.065 4.320 -0.002 0.000 0.315 826 A C 1.139 178.716 177.584 -0.012 0.000 3.574 826 A CA 2.089 54.112 52.037 -0.023 0.000 0.952 826 A CB -1.568 17.416 19.000 -0.027 0.000 0.759 826 A HN 0.446 nan 8.150 nan 0.000 0.516 827 L N -0.187 121.030 121.223 -0.010 0.000 2.387 827 L HA 0.543 4.882 4.340 -0.002 0.000 0.267 827 L C 0.808 177.677 176.870 -0.001 0.000 1.197 827 L CA 1.368 56.209 54.840 0.001 0.000 1.070 827 L CB 0.258 42.322 42.059 0.007 0.000 1.349 827 L HN 0.665 nan 8.230 nan 0.000 0.422 828 S N 0.949 116.647 115.700 -0.003 0.000 3.640 828 S HA 0.122 4.590 4.470 -0.002 0.000 0.246 828 S C 0.590 175.184 174.600 -0.010 0.000 1.133 828 S CA -0.067 58.129 58.200 -0.008 0.000 0.882 828 S CB -0.167 63.025 63.200 -0.012 0.000 1.015 828 S HN 0.491 nan 8.310 nan 0.000 0.469 829 D N 2.624 123.020 120.400 -0.006 0.000 2.629 829 D HA 0.169 4.807 4.640 -0.002 0.000 0.259 829 D C -0.377 175.916 176.300 -0.011 0.000 1.305 829 D CA 0.496 54.491 54.000 -0.007 0.000 0.937 829 D CB -0.428 40.373 40.800 0.003 0.000 1.055 829 D HN 0.487 nan 8.370 nan 0.000 0.471 830 L N 1.495 122.709 121.223 -0.015 0.000 2.294 830 L HA 0.367 4.705 4.340 -0.002 0.000 0.283 830 L C 0.917 177.757 176.870 -0.049 0.000 1.015 830 L CA -0.763 54.065 54.840 -0.020 0.000 0.831 830 L CB 1.395 43.453 42.059 -0.001 0.000 1.217 830 L HN -0.062 nan 8.230 nan 0.000 0.420 831 R N 3.030 123.488 120.500 -0.070 0.000 2.843 831 R HA 0.891 5.230 4.340 -0.002 0.000 0.232 831 R C -0.705 175.513 176.300 -0.138 0.000 1.305 831 R CA -0.777 55.255 56.100 -0.114 0.000 1.096 831 R CB 1.525 31.749 30.300 -0.127 0.000 1.455 831 R HN 0.478 nan 8.270 nan 0.000 0.520 832 A N 1.923 124.630 122.820 -0.190 0.000 2.508 832 A HA 0.277 4.596 4.320 -0.002 0.000 0.336 832 A C -0.593 176.865 177.584 -0.210 0.000 1.360 832 A CA -0.852 51.065 52.037 -0.200 0.000 0.841 832 A CB 0.436 19.276 19.000 -0.268 0.000 1.136 832 A HN 0.680 nan 8.150 nan 0.000 0.489 833 E N 0.850 120.952 120.200 -0.163 0.000 2.458 833 E HA -0.084 4.265 4.350 -0.002 0.000 0.264 833 E C 0.123 176.639 176.600 -0.140 0.000 1.097 833 E CA 0.320 56.612 56.400 -0.180 0.000 0.973 833 E CB 0.194 29.848 29.700 -0.076 0.000 0.963 833 E HN 0.649 nan 8.360 nan 0.000 0.451 834 Y N 0.882 121.161 120.300 -0.035 0.000 2.274 834 Y HA -0.168 4.381 4.550 -0.002 0.000 0.290 834 Y C 1.900 177.787 175.900 -0.022 0.000 1.145 834 Y CA 1.650 59.730 58.100 -0.033 0.000 1.203 834 Y CB -0.199 38.242 38.460 -0.030 0.000 0.984 834 Y HN 0.523 nan 8.280 nan 0.000 0.533 835 D N -1.106 119.373 120.400 0.132 0.000 2.349 835 D HA 0.050 4.689 4.640 -0.002 0.000 0.224 835 D C 1.567 177.903 176.300 0.059 0.000 1.029 835 D CA 0.922 54.970 54.000 0.080 0.000 0.879 835 D CB -0.237 40.599 40.800 0.060 0.000 0.906 835 D HN 0.361 nan 8.370 nan 0.000 0.528 836 G N -0.193 108.638 108.800 0.051 0.000 2.132 836 G HA2 -0.224 3.734 3.960 -0.002 0.000 0.228 836 G HA3 -0.224 3.734 3.960 -0.002 0.000 0.228 836 G C 0.240 175.183 174.900 0.071 0.000 1.000 836 G CA 0.360 45.496 45.100 0.060 0.000 0.693 836 G HN 0.491 nan 8.290 nan 0.000 0.515 837 T N -0.986 113.591 114.554 0.039 0.000 2.922 837 T HA 0.643 4.991 4.350 -0.002 0.000 0.281 837 T C 0.144 174.858 174.700 0.024 0.000 1.005 837 T CA -0.329 61.797 62.100 0.043 0.000 0.982 837 T CB 2.534 71.416 68.868 0.022 0.000 1.158 837 T HN 0.539 nan 8.240 nan 0.000 0.566 838 V N 2.211 122.147 119.914 0.036 0.000 2.313 838 V HA 0.342 4.461 4.120 -0.002 0.000 0.262 838 V C 0.125 176.223 176.094 0.007 0.000 1.011 838 V CA -0.642 61.669 62.300 0.018 0.000 0.858 838 V CB 0.021 31.889 31.823 0.075 0.000 1.104 838 V HN 0.614 nan 8.190 nan 0.000 0.456 839 R N 1.344 121.834 120.500 -0.018 0.000 2.607 839 R HA 0.762 5.100 4.340 -0.002 0.000 0.261 839 R C 0.571 176.861 176.300 -0.017 0.000 1.051 839 R CA -0.104 55.987 56.100 -0.016 0.000 1.110 839 R CB 1.750 32.032 30.300 -0.030 0.000 1.158 839 R HN 0.633 nan 8.270 nan 0.000 0.543 840 S N -0.100 115.600 115.700 -0.001 0.000 3.894 840 S HA 0.268 4.736 4.470 -0.002 0.000 0.189 840 S C 1.170 175.780 174.600 0.018 0.000 1.096 840 S CA -0.654 57.550 58.200 0.006 0.000 1.481 840 S CB -0.252 62.962 63.200 0.024 0.000 1.321 840 S HN 0.357 nan 8.310 nan 0.000 0.828 841 L N -0.005 121.247 121.223 0.048 0.000 2.044 841 L HA 0.210 4.548 4.340 -0.002 0.000 0.218 841 L C 2.178 179.114 176.870 0.110 0.000 1.133 841 L CA 1.001 55.883 54.840 0.070 0.000 1.742 841 L CB -0.864 41.244 42.059 0.082 0.000 1.442 841 L HN 0.609 nan 8.230 nan 0.000 0.839 842 Y N 1.714 122.012 120.300 -0.003 0.000 2.368 842 Y HA -0.311 4.238 4.550 -0.002 0.000 0.274 842 Y C 1.295 177.194 175.900 -0.001 0.000 1.230 842 Y CA 1.115 59.214 58.100 -0.001 0.000 1.349 842 Y CB -0.714 37.745 38.460 -0.001 0.000 0.968 842 Y HN 0.531 nan 8.280 nan 0.000 0.575 843 G N -0.109 108.669 108.800 -0.037 0.000 2.138 843 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.193 843 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.193 843 G C -0.108 174.720 174.900 -0.120 0.000 0.998 843 G CA -0.041 44.985 45.100 -0.123 0.000 0.668 843 G HN 0.466 nan 8.290 nan 0.000 0.516 844 E N 0.399 120.584 120.200 -0.026 0.000 2.415 844 E HA 0.314 4.663 4.350 -0.002 0.000 0.260 844 E C 0.458 177.066 176.600 0.013 0.000 1.016 844 E CA -0.162 56.253 56.400 0.026 0.000 0.924 844 E CB 1.498 31.270 29.700 0.119 0.000 0.961 844 E HN 0.133 nan 8.360 nan 0.000 0.459 845 V N 5.164 125.082 119.914 0.007 0.000 2.455 845 V HA -0.036 4.083 4.120 -0.002 0.000 0.273 845 V C 1.109 177.222 176.094 0.031 0.000 1.045 845 V CA 0.004 62.313 62.300 0.014 0.000 0.976 845 V CB 1.203 33.031 31.823 0.009 0.000 0.993 845 V HN 0.587 nan 8.190 nan 0.000 0.475 846 V N 4.016 123.952 119.914 0.038 0.000 2.575 846 V HA 0.087 4.205 4.120 -0.002 0.000 0.242 846 V C 0.690 176.816 176.094 0.054 0.000 1.045 846 V CA 1.065 63.393 62.300 0.047 0.000 1.065 846 V CB -0.204 31.651 31.823 0.052 0.000 0.717 846 V HN 0.881 nan 8.190 nan 0.000 0.467 847 Q N -1.199 118.640 119.800 0.065 0.000 2.331 847 Q HA 0.415 4.754 4.340 -0.002 0.000 0.272 847 Q C 0.219 176.258 176.000 0.064 0.000 1.062 847 Q CA -0.377 55.469 55.803 0.072 0.000 0.806 847 Q CB 2.882 31.689 28.738 0.116 0.000 1.312 847 Q HN 0.005 nan 8.270 nan 0.000 0.431 848 V N 0.444 120.387 119.914 0.049 0.000 2.323 848 V HA -0.024 4.095 4.120 -0.002 0.000 0.244 848 V C 0.547 176.674 176.094 0.056 0.000 1.041 848 V CA 1.711 64.036 62.300 0.041 0.000 1.025 848 V CB -0.060 31.781 31.823 0.029 0.000 0.656 848 V HN 0.777 nan 8.190 nan 0.000 0.451 849 A N -1.058 121.798 122.820 0.060 0.000 2.304 849 A HA 0.578 4.896 4.320 -0.002 0.000 0.314 849 A C -0.890 176.755 177.584 0.101 0.000 1.187 849 A CA -0.523 51.560 52.037 0.076 0.000 0.810 849 A CB 0.306 19.333 19.000 0.045 0.000 1.183 849 A HN 0.314 nan 8.150 nan 0.000 0.487 850 Y N 2.643 122.965 120.300 0.036 0.000 2.632 850 Y HA 0.327 4.875 4.550 -0.003 0.000 0.329 850 Y C 1.340 177.275 175.900 0.058 0.000 1.174 850 Y CA 0.910 59.040 58.100 0.050 0.000 1.469 850 Y CB 0.337 38.836 38.460 0.065 0.000 1.242 850 Y HN 1.473 nan 8.280 nan 0.000 0.540 851 G N 5.661 114.024 108.800 -0.730 0.000 2.449 851 G HA2 -0.376 3.583 3.960 -0.002 0.000 0.304 851 G HA3 -0.376 3.583 3.960 -0.002 0.000 0.304 851 G C 0.463 175.177 174.900 -0.310 0.000 0.962 851 G CA 0.849 45.556 45.100 -0.656 0.000 0.943 851 G HN 0.994 nan 8.290 nan 0.000 0.514 852 D N -1.742 118.562 120.400 -0.159 0.000 2.889 852 D HA -0.173 4.465 4.640 -0.002 0.000 0.201 852 D C 1.108 177.381 176.300 -0.045 0.000 1.093 852 D CA 2.144 56.102 54.000 -0.071 0.000 1.006 852 D CB -0.665 40.100 40.800 -0.058 0.000 1.104 852 D HN 0.559 nan 8.370 nan 0.000 0.397 853 D N -1.991 118.369 120.400 -0.067 0.000 2.943 853 D HA 0.341 4.979 4.640 -0.002 0.000 0.282 853 D C 1.910 178.248 176.300 0.062 0.000 1.148 853 D CA 1.761 55.761 54.000 0.001 0.000 1.006 853 D CB 0.159 40.963 40.800 0.008 0.000 1.168 853 D HN 0.334 nan 8.370 nan 0.000 0.450 854 G N 0.486 109.360 108.800 0.123 0.000 2.192 854 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.193 854 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.193 854 G C 0.068 175.162 174.900 0.324 0.000 0.999 854 G CA 0.116 45.384 45.100 0.279 0.000 0.659 854 G HN 0.292 nan 8.290 nan 0.000 0.503 855 V N 1.836 121.909 119.914 0.265 0.000 2.385 855 V HA 0.569 4.688 4.120 -0.002 0.000 0.269 855 V C 0.328 176.702 176.094 0.466 0.000 1.043 855 V CA -0.619 61.857 62.300 0.293 0.000 0.906 855 V CB 0.992 32.926 31.823 0.185 0.000 0.995 855 V HN 0.320 nan 8.190 nan 0.000 0.467 856 F N 8.230 128.421 119.950 0.401 0.000 2.443 856 F HA 0.326 4.851 4.527 -0.003 0.000 0.353 856 F C -1.204 174.782 175.800 0.310 0.000 1.101 856 F CA -1.597 56.667 58.000 0.442 0.000 1.226 856 F CB 1.750 41.048 39.000 0.497 0.000 1.140 856 F HN 0.453 nan 8.300 nan 0.000 0.557 857 P HA -0.207 nan 4.420 nan 0.000 0.218 857 P C 1.724 178.919 177.300 -0.175 0.000 1.146 857 P CA 1.534 64.528 63.100 -0.178 0.000 0.813 857 P CB 0.041 31.567 31.700 -0.289 0.000 0.778 858 M N -2.241 117.185 119.600 -0.289 0.000 2.159 858 M HA -0.154 4.324 4.480 -0.002 0.000 0.263 858 M C 0.797 176.939 176.300 -0.262 0.000 1.063 858 M CA 1.822 56.938 55.300 -0.307 0.000 1.110 858 M CB -0.327 32.045 32.600 -0.381 0.000 1.374 858 M HN 0.012 nan 8.290 nan 0.000 0.411 859 Y N -0.828 119.571 120.300 0.166 0.000 2.532 859 Y HA 0.204 4.752 4.550 -0.002 0.000 0.283 859 Y C 1.212 177.198 175.900 0.144 0.000 1.181 859 Y CA -0.607 57.582 58.100 0.148 0.000 1.256 859 Y CB -0.574 37.981 38.460 0.158 0.000 1.112 859 Y HN 0.099 nan 8.280 nan 0.000 0.521 860 S N -1.092 114.749 115.700 0.236 0.000 2.855 860 S HA 0.829 5.298 4.470 -0.002 0.000 0.308 860 S C 1.106 175.847 174.600 0.236 0.000 1.077 860 S CA -0.263 58.070 58.200 0.223 0.000 0.896 860 S CB 1.104 64.417 63.200 0.188 0.000 1.339 860 S HN 0.057 nan 8.310 nan 0.000 0.602 861 A N -0.676 122.300 122.820 0.260 0.000 1.909 861 A HA 0.365 4.683 4.320 -0.002 0.000 0.209 861 A C 1.552 179.306 177.584 0.283 0.000 1.247 861 A CA 0.618 52.853 52.037 0.331 0.000 0.660 861 A CB -0.596 18.658 19.000 0.422 0.000 0.910 861 A HN 0.933 nan 8.150 nan 0.000 0.465 862 H N -3.251 115.885 119.070 0.109 0.000 2.122 862 H HA 0.148 4.703 4.556 -0.002 0.000 0.141 862 H C 0.729 176.090 175.328 0.056 0.000 0.900 862 H CA 0.226 56.313 56.048 0.066 0.000 0.616 862 H CB 0.237 30.029 29.762 0.050 0.000 0.582 862 H HN 0.545 nan 8.280 nan 0.000 0.369 863 G N 0.995 109.918 108.800 0.206 0.000 2.818 863 G HA2 0.354 4.313 3.960 -0.002 0.000 0.286 863 G HA3 0.354 4.313 3.960 -0.002 0.000 0.286 863 G C -0.526 174.445 174.900 0.118 0.000 1.364 863 G CA -0.806 44.368 45.100 0.125 0.000 0.938 863 G HN 0.143 nan 8.290 nan 0.000 0.490 864 K N 0.059 120.511 120.400 0.087 0.000 2.597 864 K HA 0.287 4.606 4.320 -0.002 0.000 0.228 864 K C -0.667 175.981 176.600 0.080 0.000 1.138 864 K CA 0.654 56.992 56.287 0.085 0.000 1.185 864 K CB -1.238 31.299 32.500 0.062 0.000 1.195 864 K HN 0.473 nan 8.250 nan 0.000 0.237 865 T N -0.667 113.946 114.554 0.099 0.000 0.660 865 T HA -0.123 4.226 4.350 -0.002 0.000 0.762 865 T C -0.292 174.448 174.700 0.067 0.000 0.990 865 T CA -0.151 61.997 62.100 0.081 0.000 4.021 865 T CB -0.778 68.124 68.868 0.056 0.000 2.273 865 T HN 0.233 nan 8.240 nan 0.000 0.396 866 V N 4.964 124.915 119.914 0.062 0.000 2.287 866 V HA 0.054 4.173 4.120 -0.002 0.000 0.246 866 V C 1.794 177.885 176.094 -0.005 0.000 1.165 866 V CA 0.017 62.336 62.300 0.031 0.000 1.088 866 V CB 0.452 32.281 31.823 0.011 0.000 1.242 866 V HN 0.923 nan 8.190 nan 0.000 0.497 867 D N 2.961 123.371 120.400 0.017 0.000 2.191 867 D HA -0.190 4.448 4.640 -0.002 0.000 0.195 867 D C 1.921 178.234 176.300 0.021 0.000 1.003 867 D CA 1.484 55.495 54.000 0.018 0.000 0.867 867 D CB 0.182 40.997 40.800 0.025 0.000 0.926 867 D HN 0.523 nan 8.370 nan 0.000 0.450 868 V N 1.009 120.939 119.914 0.027 0.000 2.488 868 V HA -0.169 3.950 4.120 -0.002 0.000 0.246 868 V C 2.175 178.311 176.094 0.070 0.000 1.046 868 V CA 1.465 63.809 62.300 0.074 0.000 1.053 868 V CB -0.731 31.148 31.823 0.094 0.000 0.679 868 V HN 0.085 nan 8.190 nan 0.000 0.458 869 N N 1.145 119.775 118.700 -0.117 0.000 2.043 869 N HA -0.214 4.524 4.740 -0.002 0.000 0.193 869 N C 1.977 177.387 175.510 -0.167 0.000 1.037 869 N CA 1.763 54.599 53.050 -0.356 0.000 0.851 869 N CB -0.359 37.696 38.487 -0.720 0.000 1.027 869 N HN 0.324 nan 8.380 nan 0.000 0.422 870 R N -0.178 120.257 120.500 -0.109 0.000 2.154 870 R HA -0.111 4.227 4.340 -0.002 0.000 0.248 870 R C 2.158 178.456 176.300 -0.003 0.000 1.155 870 R CA 1.233 57.300 56.100 -0.055 0.000 0.979 870 R CB -0.391 29.893 30.300 -0.027 0.000 0.869 870 R HN 0.418 nan 8.270 nan 0.000 0.452 871 I N -0.354 120.246 120.570 0.050 0.000 2.406 871 I HA -0.222 3.946 4.170 -0.002 0.000 0.249 871 I C 1.360 177.484 176.117 0.011 0.000 1.122 871 I CA 0.888 62.209 61.300 0.035 0.000 1.431 871 I CB -0.012 38.004 38.000 0.027 0.000 1.087 871 I HN 0.091 nan 8.210 nan 0.000 0.424 872 F N 1.755 121.615 119.950 -0.149 0.000 2.120 872 F HA -0.278 4.248 4.527 -0.002 0.000 0.300 872 F C 2.459 178.121 175.800 -0.229 0.000 1.095 872 F CA 1.706 59.587 58.000 -0.198 0.000 1.249 872 F CB -0.494 38.362 39.000 -0.240 0.000 0.995 872 F HN 0.163 nan 8.300 nan 0.000 0.480 873 E N -0.714 119.474 120.200 -0.019 0.000 2.047 873 E HA -0.167 4.182 4.350 -0.002 0.000 0.191 873 E C 2.414 178.944 176.600 -0.117 0.000 0.987 873 E CA 0.695 57.047 56.400 -0.080 0.000 0.799 873 E CB -0.178 29.488 29.700 -0.056 0.000 0.752 873 E HN 0.188 nan 8.360 nan 0.000 0.449 874 R N 0.717 121.173 120.500 -0.073 0.000 2.057 874 R HA -0.022 4.317 4.340 -0.002 0.000 0.229 874 R C 2.073 178.346 176.300 -0.046 0.000 1.136 874 R CA 0.831 56.905 56.100 -0.042 0.000 0.952 874 R CB -0.443 29.864 30.300 0.013 0.000 0.848 874 R HN 0.088 nan 8.270 nan 0.000 0.430 875 V N -0.946 118.939 119.914 -0.048 0.000 4.168 875 V HA 0.009 4.127 4.120 -0.002 0.000 0.181 875 V C 2.199 178.187 176.094 -0.176 0.000 1.177 875 V CA 0.482 62.789 62.300 0.012 0.000 1.470 875 V CB -0.912 30.928 31.823 0.029 0.000 1.783 875 V HN -0.010 nan 8.190 nan 0.000 0.431 876 V N 0.958 120.722 119.914 -0.250 0.000 2.041 876 V HA -0.452 3.666 4.120 -0.002 0.000 0.153 876 V C 2.242 178.121 176.094 -0.359 0.000 1.458 876 V CA 2.693 64.736 62.300 -0.428 0.000 2.001 876 V CB -1.901 29.378 31.823 -0.907 0.000 1.116 876 V HN 0.928 nan 8.190 nan 0.000 0.557 877 G N -1.949 106.580 108.800 -0.452 0.000 2.591 877 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.218 877 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.218 877 G C 0.296 174.956 174.900 -0.399 0.000 1.113 877 G CA 0.987 45.783 45.100 -0.505 0.000 0.740 877 G HN 0.640 nan 8.290 nan 0.000 0.569 878 W N 0.497 121.750 121.300 -0.077 0.000 2.433 878 W HA 0.603 5.262 4.660 -0.001 0.000 0.288 878 W C -0.170 176.339 176.519 -0.017 0.000 0.986 878 W CA -0.961 56.364 57.345 -0.034 0.000 1.680 878 W CB 0.464 29.903 29.460 -0.035 0.000 1.615 878 W HN -0.178 nan 8.180 nan 0.000 0.416 879 K N 0.000 120.523 120.400 0.204 0.000 2.780 879 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 879 K CA 0.000 56.375 56.287 0.147 0.000 0.838 879 K CB 0.000 32.593 32.500 0.156 0.000 1.064 879 K HN 0.000 nan 8.250 nan 0.000 0.543