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 2y0s_1_A DATA FIRST_RESID 4 DATA SEQUENCE KNIKGIKFGI LSPDEIRKMS VTAIITPXXX XXXXXXXXXX XMDPRLGVIE DATA SEQUENCE PGQKcPTcGN TLGNcPGHFG HIELVRPVIH VGFVKHVYEF LKATcRRCGR DATA SEQUENCE VKISEDEIEK YSRIYNAIKK RWPSAARRLT EYVKKTAMKA QVcPHCGEXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XLTPSDIRER LEKVPESDVE ILGYDPTTSR DATA SEQUENCE PEWMILTVLP VPPITIRPSI MXXXXXXXXD DLTHKLVDIV RINERLKESI DATA SEQUENCE DAGAPQLIIE DLWDLLQYHV ATYFDNEIPG LPPSKHRSGR PLRTLAQRLK DATA SEQUENCE GKEGRFRGNL SGKRVDFSSR TVISPDPNIS IDEVGVPEII ARTLTVPERI DATA SEQUENCE TPWNIEKLRQ FVINGPDKWP GANYVIRPDG RRIDLRYVKD RKELASTLAP DATA SEQUENCE GYVVERHLTD GDVVLFNRQP SLHRISMMAH RVRVLKGLTF RLNLLVCPPY DATA SEQUENCE NADFDGDEMN LHVPQSEEAI AEAKEIMLVH KNIITPRYGG PIIGAAQDYI DATA SEQUENCE SGAYLLTVKT TLLTKEEAQQ ILGVADVKID LGEPAILAPR EYYTGKQVVS 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 EVIQVAYGDD 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 0.000 176.599 176.600 -0.002 0.000 0.988 4 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 4 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 5 N N 0.408 119.107 118.700 -0.001 0.000 2.402 5 N HA 0.545 5.180 4.740 -0.175 0.000 0.294 5 N C -1.005 174.504 175.510 -0.002 0.000 1.203 5 N CA -0.600 52.449 53.050 -0.001 0.000 0.838 5 N CB 1.051 39.539 38.487 0.001 0.000 1.306 5 N HN 0.367 nan 8.380 nan 0.000 0.510 6 I N 1.412 121.981 120.570 -0.002 0.000 2.325 6 I HA 0.146 4.211 4.170 -0.175 0.000 0.291 6 I C 1.686 177.803 176.117 0.000 0.000 1.019 6 I CA -0.197 61.100 61.300 -0.005 0.000 1.302 6 I CB 1.243 39.239 38.000 -0.008 0.000 1.401 6 I HN 0.540 nan 8.210 nan 0.000 0.485 7 K N 5.132 125.532 120.400 -0.000 0.000 2.067 7 K HA 0.161 4.377 4.320 -0.175 0.000 0.203 7 K C 0.708 177.316 176.600 0.013 0.000 1.048 7 K CA 0.918 57.209 56.287 0.006 0.000 0.954 7 K CB 0.321 32.825 32.500 0.006 0.000 0.737 7 K HN 0.835 nan 8.250 nan 0.000 0.444 8 G N 0.026 108.829 108.800 0.006 0.000 2.619 8 G HA2 0.494 4.349 3.960 -0.175 0.000 0.305 8 G HA3 0.494 4.349 3.960 -0.175 0.000 0.305 8 G C -1.657 173.229 174.900 -0.024 0.000 1.330 8 G CA -0.861 44.248 45.100 0.015 0.000 0.789 8 G HN 0.097 nan 8.290 nan 0.000 0.487 9 I N 0.556 121.106 120.570 -0.033 0.000 2.468 9 I HA 0.299 4.364 4.170 -0.175 0.000 0.285 9 I C -0.413 175.613 176.117 -0.152 0.000 1.039 9 I CA -0.654 60.533 61.300 -0.189 0.000 1.074 9 I CB 2.427 40.176 38.000 -0.418 0.000 1.228 9 I HN 0.248 nan 8.210 nan 0.000 0.436 10 K N 6.295 126.608 120.400 -0.145 0.000 2.155 10 K HA 0.289 4.504 4.320 -0.175 0.000 0.240 10 K C -0.535 176.024 176.600 -0.069 0.000 1.193 10 K CA -0.250 56.005 56.287 -0.052 0.000 1.104 10 K CB -0.117 32.365 32.500 -0.029 0.000 1.558 10 K HN 0.274 nan 8.250 nan 0.000 0.313 11 F N 0.927 120.899 119.950 0.037 0.000 2.589 11 F HA 0.163 4.586 4.527 -0.174 0.000 0.352 11 F C 1.534 177.365 175.800 0.052 0.000 1.168 11 F CA 1.066 59.092 58.000 0.044 0.000 1.353 11 F CB 0.677 39.707 39.000 0.050 0.000 1.116 11 F HN 0.502 nan 8.300 nan 0.000 0.608 12 G N 1.491 110.459 108.800 0.279 0.000 2.441 12 G HA2 0.433 4.288 3.960 -0.175 0.000 0.294 12 G HA3 0.433 4.288 3.960 -0.175 0.000 0.294 12 G C -1.794 173.217 174.900 0.184 0.000 1.393 12 G CA -1.090 44.129 45.100 0.198 0.000 0.796 12 G HN 0.503 nan 8.290 nan 0.000 0.494 13 I N 0.729 121.399 120.570 0.167 0.000 2.342 13 I HA 0.258 4.323 4.170 -0.175 0.000 0.291 13 I C -0.130 176.039 176.117 0.088 0.000 1.010 13 I CA -0.640 60.742 61.300 0.136 0.000 1.308 13 I CB 1.549 39.563 38.000 0.024 0.000 1.400 13 I HN 0.237 nan 8.210 nan 0.000 0.488 14 L N 7.535 128.745 121.223 -0.021 0.000 2.485 14 L HA 0.076 4.311 4.340 -0.175 0.000 0.279 14 L C 0.746 177.382 176.870 -0.390 0.000 1.124 14 L CA 0.358 55.091 54.840 -0.179 0.000 0.888 14 L CB 0.067 42.033 42.059 -0.155 0.000 1.217 14 L HN 0.719 nan 8.230 nan 0.000 0.464 15 S N 4.977 120.205 115.700 -0.787 0.000 2.562 15 S HA 0.229 4.594 4.470 -0.175 0.000 0.281 15 S C -1.640 172.448 174.600 -0.853 0.000 1.333 15 S CA -0.908 56.352 58.200 -1.566 0.000 1.052 15 S CB 0.478 62.392 63.200 -2.144 0.000 0.884 15 S HN 0.549 nan 8.310 nan 0.000 0.506 16 P HA -0.101 nan 4.420 nan 0.000 0.220 16 P C 0.282 177.387 177.300 -0.324 0.000 1.144 16 P CA 1.306 64.184 63.100 -0.369 0.000 0.800 16 P CB -0.074 31.496 31.700 -0.216 0.000 0.772 17 D N -0.312 119.865 120.400 -0.372 0.000 2.077 17 D HA -0.147 4.388 4.640 -0.175 0.000 0.196 17 D C 1.859 178.013 176.300 -0.242 0.000 0.986 17 D CA 1.106 54.955 54.000 -0.252 0.000 0.829 17 D CB -0.711 39.957 40.800 -0.219 0.000 0.983 17 D HN 0.259 nan 8.370 nan 0.000 0.453 18 E N 0.069 120.095 120.200 -0.289 0.000 2.153 18 E HA -0.130 4.115 4.350 -0.175 0.000 0.194 18 E C 2.130 178.575 176.600 -0.257 0.000 0.988 18 E CA 0.486 56.741 56.400 -0.241 0.000 0.811 18 E CB -0.081 29.468 29.700 -0.252 0.000 0.746 18 E HN 0.351 nan 8.360 nan 0.000 0.466 19 I N 0.711 121.078 120.570 -0.339 0.000 2.142 19 I HA -0.302 3.763 4.170 -0.175 0.000 0.240 19 I C 2.441 178.157 176.117 -0.669 0.000 1.078 19 I CA 1.325 62.328 61.300 -0.494 0.000 1.343 19 I CB -0.259 37.448 38.000 -0.487 0.000 1.046 19 I HN 0.003 nan 8.210 nan 0.000 0.405 20 R N 0.782 121.022 120.500 -0.434 0.000 2.096 20 R HA -0.091 4.144 4.340 -0.175 0.000 0.235 20 R C 0.684 176.941 176.300 -0.071 0.000 1.127 20 R CA 0.588 56.544 56.100 -0.239 0.000 0.968 20 R CB -0.291 29.927 30.300 -0.135 0.000 0.861 20 R HN 0.047 nan 8.270 nan 0.000 0.440 21 K N 1.208 121.558 120.400 -0.083 0.000 2.366 21 K HA -0.142 4.073 4.320 -0.175 0.000 0.272 21 K C 0.584 177.202 176.600 0.030 0.000 1.151 21 K CA 0.687 56.958 56.287 -0.027 0.000 1.173 21 K CB 0.059 32.531 32.500 -0.048 0.000 0.853 21 K HN 0.121 nan 8.250 nan 0.000 0.473 22 M N 0.160 119.784 119.600 0.040 0.000 2.862 22 M HA -0.366 4.009 4.480 -0.175 0.000 0.169 22 M C 0.573 176.927 176.300 0.090 0.000 0.663 22 M CA 1.261 56.594 55.300 0.055 0.000 0.641 22 M CB -2.514 30.111 32.600 0.041 0.000 2.326 22 M HN 0.615 nan 8.290 nan 0.000 0.289 23 S N 0.046 115.837 115.700 0.151 0.000 2.081 23 S HA 0.453 4.818 4.470 -0.175 0.000 0.167 23 S C 0.784 175.461 174.600 0.129 0.000 1.409 23 S CA 0.438 58.759 58.200 0.201 0.000 2.079 23 S CB 0.192 63.665 63.200 0.455 0.000 0.384 23 S HN 0.601 nan 8.310 nan 0.000 0.360 24 V N -2.417 117.562 119.914 0.109 0.000 3.204 24 V HA 0.697 4.712 4.120 -0.175 0.000 0.298 24 V C -1.297 174.813 176.094 0.026 0.000 1.328 24 V CA -0.871 61.451 62.300 0.037 0.000 1.035 24 V CB 1.606 33.419 31.823 -0.017 0.000 1.095 24 V HN 0.584 nan 8.190 nan 0.000 0.442 25 T N 1.934 116.508 114.554 0.034 0.000 2.949 25 T HA 0.795 5.041 4.350 -0.175 0.000 0.300 25 T C 0.088 174.798 174.700 0.017 0.000 0.988 25 T CA 0.218 62.346 62.100 0.048 0.000 0.993 25 T CB 1.404 70.319 68.868 0.077 0.000 0.984 25 T HN 1.466 nan 8.240 nan 0.000 0.442 26 A N 2.875 125.699 122.820 0.006 0.000 2.366 26 A HA 0.726 4.941 4.320 -0.175 0.000 0.249 26 A C 0.631 178.216 177.584 0.002 0.000 1.084 26 A CA -0.101 51.933 52.037 -0.005 0.000 0.794 26 A CB 0.063 19.053 19.000 -0.016 0.000 1.034 26 A HN 0.932 nan 8.150 nan 0.000 0.491 27 I N 0.108 120.676 120.570 -0.004 0.000 4.193 27 I HA 0.191 4.256 4.170 -0.175 0.000 0.287 27 I C 0.332 176.445 176.117 -0.006 0.000 1.175 27 I CA 0.107 61.407 61.300 -0.001 0.000 1.320 27 I CB -0.028 37.973 38.000 0.001 0.000 1.523 27 I HN 0.467 nan 8.210 nan 0.000 0.450 28 I N 0.892 121.456 120.570 -0.010 0.000 2.764 28 I HA 0.090 4.155 4.170 -0.175 0.000 0.294 28 I C 1.108 177.214 176.117 -0.019 0.000 1.045 28 I CA 0.366 61.659 61.300 -0.012 0.000 1.340 28 I CB 1.739 39.733 38.000 -0.011 0.000 1.436 28 I HN 0.099 nan 8.210 nan 0.000 0.567 29 T N 2.048 116.589 114.554 -0.021 0.000 3.053 29 T HA 0.177 4.422 4.350 -0.175 0.000 0.236 29 T C -1.530 173.155 174.700 -0.025 0.000 0.996 29 T CA 0.054 62.136 62.100 -0.030 0.000 1.185 29 T CB -0.669 68.178 68.868 -0.034 0.000 0.892 29 T HN 0.503 nan 8.240 nan 0.000 0.432 46 D N 0.335 120.719 120.400 -0.026 0.000 2.486 46 D HA 0.347 4.882 4.640 -0.175 0.000 0.243 46 D C -2.373 173.909 176.300 -0.030 0.000 1.146 46 D CA 0.476 54.461 54.000 -0.026 0.000 0.821 46 D CB 0.836 41.624 40.800 -0.020 0.000 1.201 46 D HN 0.369 nan 8.370 nan 0.000 0.525 47 P HA 0.499 nan 4.420 nan 0.000 0.294 47 P C -0.077 177.191 177.300 -0.054 0.000 1.325 47 P CA -0.354 62.722 63.100 -0.039 0.000 0.978 47 P CB 2.616 34.295 31.700 -0.034 0.000 1.288 48 R N -0.913 119.541 120.500 -0.076 0.000 3.584 48 R HA -0.125 4.111 4.340 -0.175 0.000 0.488 48 R C -0.207 176.014 176.300 -0.132 0.000 0.869 48 R CA 0.669 56.697 56.100 -0.119 0.000 1.325 48 R CB -1.865 28.381 30.300 -0.089 0.000 2.015 48 R HN 0.313 nan 8.270 nan 0.000 0.489 49 L N -0.373 120.811 121.223 -0.066 0.000 3.014 49 L HA 0.538 4.773 4.340 -0.175 0.000 0.263 49 L C 0.811 177.719 176.870 0.064 0.000 1.207 49 L CA 0.839 55.676 54.840 -0.004 0.000 1.017 49 L CB 1.242 43.276 42.059 -0.042 0.000 1.360 49 L HN 0.407 nan 8.230 nan 0.000 0.560 50 G N -0.214 108.622 108.800 0.060 0.000 2.381 50 G HA2 0.226 4.081 3.960 -0.175 0.000 0.672 50 G HA3 0.226 4.081 3.960 -0.175 0.000 0.672 50 G C -1.179 173.735 174.900 0.023 0.000 1.324 50 G CA -0.555 44.603 45.100 0.096 0.000 0.975 50 G HN 0.284 nan 8.290 nan 0.000 0.593 51 V N -1.291 118.638 119.914 0.025 0.000 2.325 51 V HA 0.703 4.718 4.120 -0.175 0.000 0.280 51 V C 0.610 176.704 176.094 -0.000 0.000 1.016 51 V CA -0.675 61.628 62.300 0.006 0.000 0.818 51 V CB 0.602 32.428 31.823 0.006 0.000 1.019 51 V HN 1.362 nan 8.190 nan 0.000 0.434 52 I N 1.209 121.775 120.570 -0.006 0.000 2.496 52 I HA 0.654 4.719 4.170 -0.175 0.000 0.285 52 I C 0.274 176.386 176.117 -0.009 0.000 1.080 52 I CA 0.118 61.412 61.300 -0.010 0.000 1.404 52 I CB 0.124 38.116 38.000 -0.013 0.000 1.403 52 I HN 0.880 nan 8.210 nan 0.000 0.539 53 E N 3.297 123.491 120.200 -0.009 0.000 8.380 53 E HA -0.135 4.110 4.350 -0.175 0.000 0.467 53 E C -2.399 174.197 176.600 -0.006 0.000 0.976 53 E CA -0.432 55.963 56.400 -0.009 0.000 1.699 53 E CB -0.842 28.853 29.700 -0.009 0.000 0.997 53 E HN 0.646 nan 8.360 nan 0.000 0.265 54 P HA 0.008 nan 4.420 nan 0.000 0.263 54 P C 0.271 177.570 177.300 -0.003 0.000 1.175 54 P CA 1.102 64.201 63.100 -0.003 0.000 0.761 54 P CB 0.884 32.583 31.700 -0.002 0.000 0.794 55 G N 2.067 110.866 108.800 -0.002 0.000 2.680 55 G HA2 0.046 3.901 3.960 -0.175 0.000 0.092 55 G HA3 0.046 3.901 3.960 -0.175 0.000 0.092 55 G C -0.811 174.088 174.900 -0.002 0.000 1.097 55 G CA -0.312 44.787 45.100 -0.003 0.000 1.368 55 G HN 0.491 nan 8.290 nan 0.000 0.619 56 Q N 0.107 119.905 119.800 -0.004 0.000 2.239 56 Q HA 0.568 4.803 4.340 -0.175 0.000 0.193 56 Q C -0.503 175.494 176.000 -0.005 0.000 1.004 56 Q CA -0.568 55.232 55.803 -0.005 0.000 1.040 56 Q CB 1.159 29.892 28.738 -0.008 0.000 1.149 56 Q HN 0.287 nan 8.270 nan 0.000 0.535 57 K N -0.213 120.183 120.400 -0.007 0.000 2.132 57 K HA 0.303 4.518 4.320 -0.175 0.000 0.241 57 K C -0.721 175.870 176.600 -0.014 0.000 1.000 57 K CA -0.617 55.666 56.287 -0.007 0.000 0.911 57 K CB 1.172 33.667 32.500 -0.007 0.000 1.093 57 K HN 0.458 nan 8.250 nan 0.000 0.460 58 c N 2.718 121.312 118.600 -0.011 0.000 2.576 58 c HA 0.172 4.638 4.570 -0.175 0.000 0.401 58 c C -1.285 172.768 174.090 -0.062 0.000 1.314 58 c CA -1.713 54.598 56.329 -0.031 0.000 1.855 58 c CB -0.232 42.279 42.510 0.001 0.000 2.537 58 c HN 0.614 nan 8.230 nan 0.000 0.578 59 P HA -0.076 nan 4.420 nan 0.000 0.215 59 P C 1.620 178.851 177.300 -0.114 0.000 1.157 59 P CA 1.710 64.758 63.100 -0.088 0.000 0.863 59 P CB -0.024 31.624 31.700 -0.087 0.000 0.787 60 T N -2.760 111.672 114.554 -0.203 0.000 3.055 60 T HA -0.018 4.228 4.350 -0.175 0.000 0.265 60 T C 1.148 175.745 174.700 -0.173 0.000 1.111 60 T CA 1.344 63.298 62.100 -0.243 0.000 1.118 60 T CB -0.546 68.049 68.868 -0.455 0.000 0.909 60 T HN 0.197 nan 8.240 nan 0.000 0.501 61 c N -1.926 116.596 118.600 -0.131 0.000 3.347 61 c HA 0.804 5.270 4.570 -0.175 0.000 0.116 61 c C 1.308 175.389 174.090 -0.014 0.000 2.669 61 c CA 0.119 56.430 56.329 -0.030 0.000 0.869 61 c CB 0.391 42.931 42.510 0.049 0.000 1.520 61 c HN 0.465 nan 8.230 nan 0.000 0.648 62 G N 2.100 110.902 108.800 0.003 0.000 2.481 62 G HA2 0.158 4.013 3.960 -0.175 0.000 0.234 62 G HA3 0.158 4.013 3.960 -0.175 0.000 0.234 62 G C -1.547 173.361 174.900 0.013 0.000 2.038 62 G CA -0.464 44.637 45.100 0.002 0.000 0.899 62 G HN 0.666 nan 8.290 nan 0.000 0.543 63 N N 1.131 119.844 118.700 0.022 0.000 2.407 63 N HA 0.594 5.229 4.740 -0.175 0.000 0.277 63 N C 0.311 175.830 175.510 0.015 0.000 0.995 63 N CA -0.411 52.651 53.050 0.020 0.000 0.903 63 N CB 1.419 39.923 38.487 0.027 0.000 1.218 63 N HN 0.217 nan 8.380 nan 0.000 0.487 64 T N 2.297 116.856 114.554 0.010 0.000 2.937 64 T HA 0.239 4.484 4.350 -0.175 0.000 0.316 64 T C 0.804 175.508 174.700 0.007 0.000 1.079 64 T CA -0.203 61.901 62.100 0.007 0.000 1.131 64 T CB 0.017 68.889 68.868 0.006 0.000 1.000 64 T HN 0.418 nan 8.240 nan 0.000 0.549 65 L N -0.004 121.222 121.223 0.004 0.000 3.233 65 L HA -0.206 4.030 4.340 -0.175 0.000 0.335 65 L C 1.766 178.639 176.870 0.004 0.000 1.091 65 L CA 0.652 55.493 54.840 0.002 0.000 1.236 65 L CB -1.158 40.901 42.059 0.000 0.000 1.164 65 L HN 0.890 nan 8.230 nan 0.000 0.490 66 G N -0.169 108.631 108.800 -0.001 0.000 2.916 66 G HA2 -0.152 3.704 3.960 -0.175 0.000 0.205 66 G HA3 -0.152 3.704 3.960 -0.175 0.000 0.205 66 G C 0.795 175.695 174.900 -0.001 0.000 1.163 66 G CA 0.699 45.797 45.100 -0.003 0.000 0.821 66 G HN 0.627 nan 8.290 nan 0.000 0.515 67 N N -0.175 118.527 118.700 0.005 0.000 2.416 67 N HA -0.002 4.633 4.740 -0.175 0.000 0.215 67 N C -0.391 175.130 175.510 0.019 0.000 1.208 67 N CA -0.063 52.990 53.050 0.006 0.000 0.834 67 N CB -0.039 38.452 38.487 0.006 0.000 1.072 67 N HN 0.124 nan 8.380 nan 0.000 0.472 68 c N 1.690 120.308 118.600 0.031 0.000 3.471 68 c HA 0.445 4.911 4.570 -0.175 0.000 0.191 68 c C -2.615 171.523 174.090 0.080 0.000 1.480 68 c CA -1.274 55.103 56.329 0.081 0.000 1.281 68 c CB -0.387 42.189 42.510 0.110 0.000 1.898 68 c HN 0.273 nan 8.230 nan 0.000 0.533 69 P HA 0.639 nan 4.420 nan 0.000 0.287 69 P C -0.044 177.017 177.300 -0.399 0.000 1.279 69 P CA 0.491 63.504 63.100 -0.144 0.000 0.867 69 P CB 1.133 32.776 31.700 -0.094 0.000 1.127 70 G N 0.976 109.494 108.800 -0.471 0.000 2.963 70 G HA2 -0.058 3.797 3.960 -0.175 0.000 0.262 70 G HA3 -0.058 3.797 3.960 -0.175 0.000 0.262 70 G C -0.942 173.506 174.900 -0.753 0.000 1.043 70 G CA -0.691 44.135 45.100 -0.457 0.000 1.223 70 G HN 0.759 nan 8.290 nan 0.000 0.574 71 H N 0.359 119.372 119.070 -0.096 0.000 3.181 71 H HA 0.383 4.835 4.556 -0.175 0.000 0.331 71 H C -0.777 174.459 175.328 -0.154 0.000 0.988 71 H CA -1.004 55.018 56.048 -0.043 0.000 1.449 71 H CB 0.964 30.698 29.762 -0.047 0.000 1.749 71 H HN 0.231 nan 8.280 nan 0.000 0.501 72 F N 1.484 121.445 119.950 0.018 0.000 2.411 72 F HA 0.410 4.832 4.527 -0.175 0.000 0.350 72 F C 1.384 176.921 175.800 -0.439 0.000 1.114 72 F CA -0.019 57.916 58.000 -0.109 0.000 1.135 72 F CB 1.398 40.421 39.000 0.039 0.000 1.120 72 F HN 0.575 nan 8.300 nan 0.000 0.495 73 G N 2.264 110.900 108.800 -0.274 0.000 2.547 73 G HA2 0.468 4.324 3.960 -0.175 0.000 0.291 73 G HA3 0.468 4.324 3.960 -0.175 0.000 0.291 73 G C -1.186 173.367 174.900 -0.579 0.000 1.211 73 G CA -0.354 44.513 45.100 -0.388 0.000 0.950 73 G HN 0.616 nan 8.290 nan 0.000 0.504 74 H N -1.024 118.099 119.070 0.089 0.000 2.930 74 H HA 0.438 4.889 4.556 -0.175 0.000 0.371 74 H C -0.925 174.429 175.328 0.044 0.000 1.169 74 H CA -0.525 55.569 56.048 0.076 0.000 1.157 74 H CB 1.969 31.769 29.762 0.064 0.000 1.789 74 H HN 0.281 nan 8.280 nan 0.000 0.547 75 I N 1.586 122.261 120.570 0.174 0.000 2.436 75 I HA 0.172 4.237 4.170 -0.175 0.000 0.289 75 I C -0.091 176.077 176.117 0.085 0.000 1.010 75 I CA -0.418 60.938 61.300 0.093 0.000 1.098 75 I CB 2.174 40.202 38.000 0.047 0.000 1.266 75 I HN 0.381 nan 8.210 nan 0.000 0.434 76 E N 6.382 126.621 120.200 0.065 0.000 2.055 76 E HA 0.313 4.559 4.350 -0.175 0.000 0.274 76 E C -1.081 175.551 176.600 0.054 0.000 0.949 76 E CA -0.776 55.656 56.400 0.054 0.000 0.775 76 E CB 1.131 30.856 29.700 0.042 0.000 1.097 76 E HN 0.263 nan 8.360 nan 0.000 0.404 77 L N 3.749 125.012 121.223 0.066 0.000 2.315 77 L HA 0.162 4.397 4.340 -0.175 0.000 0.283 77 L C 0.222 177.138 176.870 0.076 0.000 1.089 77 L CA -0.099 54.787 54.840 0.077 0.000 0.833 77 L CB 0.713 42.833 42.059 0.100 0.000 1.170 77 L HN 0.331 nan 8.230 nan 0.000 0.442 78 V N 7.204 127.160 119.914 0.070 0.000 2.387 78 V HA 0.384 4.400 4.120 -0.175 0.000 0.260 78 V C -0.143 176.003 176.094 0.086 0.000 1.054 78 V CA -0.225 62.112 62.300 0.063 0.000 0.967 78 V CB -0.276 31.574 31.823 0.045 0.000 1.036 78 V HN 0.889 nan 8.190 nan 0.000 0.481 79 R N 3.615 124.167 120.500 0.086 0.000 1.712 79 R HA -0.081 4.155 4.340 -0.175 0.000 0.399 79 R C -2.753 173.668 176.300 0.202 0.000 1.166 79 R CA 0.201 56.374 56.100 0.122 0.000 0.748 79 R CB -1.846 28.520 30.300 0.112 0.000 2.558 79 R HN 0.584 nan 8.270 nan 0.000 0.492 80 P HA 0.035 nan 4.420 nan 0.000 0.267 80 P C -0.511 176.932 177.300 0.238 0.000 1.195 80 P CA -0.184 63.028 63.100 0.186 0.000 0.773 80 P CB 0.611 32.401 31.700 0.151 0.000 0.837 81 V N 3.698 123.732 119.914 0.201 0.000 2.604 81 V HA 0.336 4.352 4.120 -0.175 0.000 0.305 81 V C 0.433 176.649 176.094 0.204 0.000 1.043 81 V CA -0.761 61.643 62.300 0.174 0.000 0.888 81 V CB 1.550 33.462 31.823 0.148 0.000 0.995 81 V HN 0.347 nan 8.190 nan 0.000 0.429 82 I N 3.677 124.349 120.570 0.170 0.000 2.588 82 I HA 0.163 4.229 4.170 -0.175 0.000 0.283 82 I C 0.634 176.925 176.117 0.289 0.000 1.119 82 I CA -0.064 61.363 61.300 0.212 0.000 1.419 82 I CB 0.113 38.204 38.000 0.152 0.000 1.394 82 I HN 0.641 nan 8.210 nan 0.000 0.562 83 H N 6.428 125.654 119.070 0.260 0.000 2.864 83 H HA 0.119 4.570 4.556 -0.174 0.000 0.281 83 H C 0.934 176.376 175.328 0.190 0.000 1.093 83 H CA -0.452 55.760 56.048 0.272 0.000 1.453 83 H CB 1.427 31.375 29.762 0.309 0.000 1.462 83 H HN 0.645 nan 8.280 nan 0.000 0.480 84 V N 3.186 123.020 119.914 -0.134 0.000 2.469 84 V HA -0.146 3.869 4.120 -0.175 0.000 0.251 84 V C 2.262 178.281 176.094 -0.126 0.000 1.064 84 V CA 1.805 64.051 62.300 -0.090 0.000 1.066 84 V CB -0.998 30.772 31.823 -0.088 0.000 0.667 84 V HN 0.760 nan 8.190 nan 0.000 0.461 85 G N -1.042 107.521 108.800 -0.395 0.000 2.509 85 G HA2 -0.099 3.756 3.960 -0.175 0.000 0.218 85 G HA3 -0.099 3.756 3.960 -0.175 0.000 0.218 85 G C 1.064 175.874 174.900 -0.150 0.000 1.124 85 G CA 0.663 45.608 45.100 -0.259 0.000 0.776 85 G HN 0.570 nan 8.290 nan 0.000 0.547 86 F N -0.858 119.307 119.950 0.358 0.000 2.678 86 F HA 0.296 4.719 4.527 -0.174 0.000 0.305 86 F C 2.026 178.014 175.800 0.314 0.000 1.090 86 F CA -0.875 57.309 58.000 0.306 0.000 1.272 86 F CB 0.292 39.404 39.000 0.185 0.000 1.060 86 F HN 0.011 nan 8.300 nan 0.000 0.576 87 V N 2.120 122.247 119.914 0.355 0.000 2.867 87 V HA -0.212 3.803 4.120 -0.175 0.000 0.260 87 V C 2.380 178.619 176.094 0.241 0.000 1.099 87 V CA 1.802 64.260 62.300 0.263 0.000 1.122 87 V CB -0.434 31.489 31.823 0.167 0.000 0.708 87 V HN 0.312 nan 8.190 nan 0.000 0.490 88 K N -1.223 119.302 120.400 0.207 0.000 2.305 88 K HA -0.111 4.104 4.320 -0.175 0.000 0.199 88 K C 1.654 178.265 176.600 0.019 0.000 1.047 88 K CA 1.518 57.839 56.287 0.055 0.000 0.976 88 K CB -0.472 31.980 32.500 -0.080 0.000 0.765 88 K HN 0.578 nan 8.250 nan 0.000 0.474 89 H N 0.856 120.060 119.070 0.223 0.000 2.448 89 H HA 0.076 4.528 4.556 -0.174 0.000 0.292 89 H C 2.142 177.638 175.328 0.280 0.000 1.035 89 H CA 0.971 57.166 56.048 0.246 0.000 1.349 89 H CB 0.018 29.962 29.762 0.303 0.000 1.425 89 H HN -0.096 nan 8.280 nan 0.000 0.539 90 V N 0.666 120.819 119.914 0.398 0.000 2.343 90 V HA -0.289 3.726 4.120 -0.175 0.000 0.247 90 V C 2.089 178.374 176.094 0.318 0.000 1.051 90 V CA 1.804 64.294 62.300 0.317 0.000 1.036 90 V CB -0.626 31.339 31.823 0.237 0.000 0.654 90 V HN 0.453 nan 8.190 nan 0.000 0.451 91 Y N 1.342 121.728 120.300 0.143 0.000 2.293 91 Y HA -0.156 4.289 4.550 -0.175 0.000 0.291 91 Y C 2.414 178.366 175.900 0.088 0.000 1.137 91 Y CA 1.503 59.661 58.100 0.097 0.000 1.202 91 Y CB -0.387 38.113 38.460 0.066 0.000 0.990 91 Y HN 0.404 nan 8.280 nan 0.000 0.537 92 E N -0.951 119.455 120.200 0.344 0.000 2.106 92 E HA -0.192 4.054 4.350 -0.175 0.000 0.192 92 E C 2.034 178.692 176.600 0.096 0.000 0.984 92 E CA 1.231 57.739 56.400 0.179 0.000 0.806 92 E CB -0.407 29.324 29.700 0.051 0.000 0.750 92 E HN 0.438 nan 8.360 nan 0.000 0.458 93 F N 0.881 120.882 119.950 0.085 0.000 2.134 93 F HA -0.146 4.276 4.527 -0.175 0.000 0.299 93 F C 2.146 177.967 175.800 0.036 0.000 1.097 93 F CA 1.011 59.023 58.000 0.021 0.000 1.264 93 F CB -0.171 38.798 39.000 -0.052 0.000 1.001 93 F HN -0.031 nan 8.300 nan 0.000 0.479 94 L N -0.489 120.871 121.223 0.227 0.000 2.275 94 L HA -0.159 4.076 4.340 -0.175 0.000 0.215 94 L C 1.525 178.447 176.870 0.087 0.000 1.119 94 L CA 1.029 55.933 54.840 0.107 0.000 0.790 94 L CB -0.574 41.496 42.059 0.020 0.000 0.919 94 L HN -0.033 nan 8.230 nan 0.000 0.443 95 K N 0.860 121.344 120.400 0.139 0.000 2.878 95 K HA 0.202 4.417 4.320 -0.175 0.000 0.242 95 K C 0.279 176.954 176.600 0.124 0.000 0.985 95 K CA 0.239 56.616 56.287 0.150 0.000 1.168 95 K CB 0.020 32.656 32.500 0.226 0.000 0.993 95 K HN 0.247 nan 8.250 nan 0.000 0.476 96 A N 0.570 123.460 122.820 0.116 0.000 2.948 96 A HA 0.119 4.334 4.320 -0.175 0.000 0.220 96 A C -0.628 177.022 177.584 0.110 0.000 1.392 96 A CA -0.648 51.452 52.037 0.104 0.000 1.430 96 A CB 0.270 19.309 19.000 0.065 0.000 1.161 96 A HN 0.066 nan 8.150 nan 0.000 0.840 97 T N -0.390 114.226 114.554 0.103 0.000 2.971 97 T HA 0.218 4.463 4.350 -0.175 0.000 0.304 97 T C 0.738 175.479 174.700 0.070 0.000 1.038 97 T CA 0.225 62.375 62.100 0.083 0.000 1.007 97 T CB 1.365 70.279 68.868 0.076 0.000 1.055 97 T HN 0.924 nan 8.240 nan 0.000 0.451 98 c N 3.036 121.672 118.600 0.059 0.000 2.430 98 c HA 0.029 4.494 4.570 -0.175 0.000 0.288 98 c C 2.037 176.148 174.090 0.036 0.000 1.448 98 c CA 0.851 57.212 56.329 0.054 0.000 1.784 98 c CB -1.638 40.897 42.510 0.041 0.000 1.776 98 c HN 1.133 nan 8.230 nan 0.000 0.547 99 R N -2.328 118.185 120.500 0.023 0.000 3.569 99 R HA -0.203 4.032 4.340 -0.175 0.000 0.372 99 R C 1.462 177.763 176.300 0.001 0.000 0.548 99 R CA 2.035 58.138 56.100 0.005 0.000 1.528 99 R CB -1.388 28.910 30.300 -0.003 0.000 1.868 99 R HN 0.514 nan 8.270 nan 0.000 0.376 100 R N -0.762 119.741 120.500 0.006 0.000 2.446 100 R HA 0.303 4.538 4.340 -0.175 0.000 0.254 100 R C 0.601 176.902 176.300 0.003 0.000 0.918 100 R CA 0.682 56.783 56.100 0.001 0.000 1.069 100 R CB 0.970 31.272 30.300 0.003 0.000 1.194 100 R HN 0.269 nan 8.270 nan 0.000 0.534 101 C N -2.285 117.021 119.300 0.009 0.000 3.612 101 C HA 0.867 5.222 4.460 -0.175 0.000 0.105 101 C C 1.107 176.105 174.990 0.013 0.000 2.515 101 C CA -0.096 58.928 59.018 0.010 0.000 1.830 101 C CB 0.522 28.272 27.740 0.016 0.000 3.181 101 C HN 0.441 nan 8.230 nan 0.000 0.407 102 G N -0.620 108.196 108.800 0.027 0.000 2.619 102 G HA2 0.469 4.324 3.960 -0.175 0.000 0.146 102 G HA3 0.469 4.324 3.960 -0.175 0.000 0.146 102 G C -1.129 173.803 174.900 0.054 0.000 1.192 102 G CA -0.365 44.761 45.100 0.043 0.000 1.063 102 G HN 0.762 nan 8.290 nan 0.000 0.538 103 R N -0.578 119.962 120.500 0.066 0.000 2.582 103 R HA -0.141 4.094 4.340 -0.175 0.000 0.225 103 R C -0.700 175.629 176.300 0.049 0.000 1.110 103 R CA 0.429 56.563 56.100 0.056 0.000 1.084 103 R CB -0.846 29.479 30.300 0.042 0.000 2.842 103 R HN 0.403 nan 8.270 nan 0.000 0.411 104 V N 6.177 126.122 119.914 0.053 0.000 2.306 104 V HA 0.252 4.267 4.120 -0.175 0.000 0.286 104 V C 0.579 176.695 176.094 0.036 0.000 1.404 104 V CA 0.351 62.680 62.300 0.049 0.000 1.467 104 V CB 0.260 32.120 31.823 0.063 0.000 1.459 104 V HN 0.524 nan 8.190 nan 0.000 0.518 105 K N 0.593 121.011 120.400 0.030 0.000 2.428 105 K HA 0.648 4.864 4.320 -0.175 0.000 0.279 105 K C -0.991 175.621 176.600 0.020 0.000 1.041 105 K CA -0.595 55.706 56.287 0.024 0.000 0.887 105 K CB 2.592 35.106 32.500 0.023 0.000 1.535 105 K HN 0.147 nan 8.250 nan 0.000 0.417 106 I N -0.971 119.609 120.570 0.017 0.000 4.120 106 I HA 0.266 4.331 4.170 -0.175 0.000 0.239 106 I C 1.857 177.982 176.117 0.013 0.000 1.195 106 I CA -0.421 60.888 61.300 0.015 0.000 1.348 106 I CB -0.182 37.827 38.000 0.015 0.000 1.409 106 I HN 0.694 nan 8.210 nan 0.000 0.474 107 S N 0.183 115.891 115.700 0.012 0.000 2.389 107 S HA -0.307 4.058 4.470 -0.175 0.000 0.229 107 S C 1.561 176.168 174.600 0.012 0.000 1.048 107 S CA 1.952 60.159 58.200 0.011 0.000 1.117 107 S CB -1.056 62.152 63.200 0.014 0.000 1.020 107 S HN 0.641 nan 8.310 nan 0.000 0.430 108 E N 1.155 121.367 120.200 0.021 0.000 2.639 108 E HA -0.402 3.844 4.350 -0.175 0.000 0.252 108 E C 1.523 178.135 176.600 0.019 0.000 1.088 108 E CA 1.959 58.375 56.400 0.027 0.000 1.348 108 E CB -0.999 28.717 29.700 0.027 0.000 1.203 108 E HN 0.516 nan 8.360 nan 0.000 0.460 109 D N 0.048 120.451 120.400 0.006 0.000 2.558 109 D HA -0.246 4.289 4.640 -0.175 0.000 0.190 109 D C 1.711 177.984 176.300 -0.045 0.000 1.047 109 D CA 1.943 55.936 54.000 -0.012 0.000 0.880 109 D CB -0.420 40.371 40.800 -0.015 0.000 0.926 109 D HN 0.420 nan 8.370 nan 0.000 0.465 110 E N -0.544 119.622 120.200 -0.056 0.000 2.077 110 E HA -0.148 4.097 4.350 -0.175 0.000 0.193 110 E C 2.215 178.736 176.600 -0.131 0.000 0.989 110 E CA 0.539 56.854 56.400 -0.142 0.000 0.800 110 E CB -0.016 29.633 29.700 -0.085 0.000 0.746 110 E HN 0.309 nan 8.360 nan 0.000 0.452 111 I N 1.113 121.721 120.570 0.064 0.000 2.361 111 I HA -0.193 3.872 4.170 -0.175 0.000 0.251 111 I C 0.965 177.202 176.117 0.201 0.000 1.133 111 I CA 1.442 62.870 61.300 0.214 0.000 1.413 111 I CB -0.645 37.436 38.000 0.135 0.000 1.073 111 I HN 0.082 nan 8.210 nan 0.000 0.424 112 E N 0.362 120.609 120.200 0.079 0.000 3.105 112 E HA 0.136 4.381 4.350 -0.175 0.000 0.219 112 E C 0.861 177.465 176.600 0.006 0.000 1.064 112 E CA -0.056 56.383 56.400 0.065 0.000 1.342 112 E CB 0.486 30.210 29.700 0.040 0.000 1.295 112 E HN 0.294 nan 8.360 nan 0.000 0.438 113 K N -0.716 119.644 120.400 -0.067 0.000 2.464 113 K HA 0.113 4.328 4.320 -0.175 0.000 0.206 113 K C 0.717 177.247 176.600 -0.117 0.000 1.186 113 K CA 0.048 56.246 56.287 -0.148 0.000 0.990 113 K CB 0.560 32.910 32.500 -0.249 0.000 1.003 113 K HN 0.133 nan 8.250 nan 0.000 0.562 114 Y N 0.876 121.244 120.300 0.113 0.000 2.373 114 Y HA -0.121 4.324 4.550 -0.175 0.000 0.293 114 Y C 2.356 178.357 175.900 0.169 0.000 1.129 114 Y CA 1.136 59.351 58.100 0.191 0.000 1.226 114 Y CB -0.020 38.508 38.460 0.113 0.000 1.000 114 Y HN 0.009 nan 8.280 nan 0.000 0.549 115 S N -0.362 115.482 115.700 0.239 0.000 2.562 115 S HA 0.015 4.380 4.470 -0.175 0.000 0.221 115 S C 1.835 176.488 174.600 0.088 0.000 0.975 115 S CA 0.131 58.421 58.200 0.149 0.000 0.918 115 S CB -0.009 63.258 63.200 0.112 0.000 0.772 115 S HN 0.437 nan 8.310 nan 0.000 0.531 116 R N 0.563 121.098 120.500 0.058 0.000 2.087 116 R HA 0.231 4.466 4.340 -0.175 0.000 0.216 116 R C 1.667 177.941 176.300 -0.043 0.000 1.114 116 R CA 0.628 56.727 56.100 -0.002 0.000 1.002 116 R CB -0.044 30.239 30.300 -0.029 0.000 0.903 116 R HN 0.320 nan 8.270 nan 0.000 0.445 117 I N 0.355 120.864 120.570 -0.101 0.000 2.429 117 I HA -0.107 3.958 4.170 -0.175 0.000 0.247 117 I C 0.721 176.671 176.117 -0.277 0.000 1.099 117 I CA 1.037 62.170 61.300 -0.279 0.000 1.422 117 I CB -0.671 37.002 38.000 -0.544 0.000 1.112 117 I HN 0.125 nan 8.210 nan 0.000 0.430 118 Y N 1.532 121.859 120.300 0.044 0.000 2.933 118 Y HA 0.271 4.716 4.550 -0.175 0.000 0.380 118 Y C 0.780 176.709 175.900 0.049 0.000 1.056 118 Y CA -0.246 57.884 58.100 0.051 0.000 1.704 118 Y CB -0.580 37.923 38.460 0.072 0.000 1.558 118 Y HN 0.131 nan 8.280 nan 0.000 0.501 119 N N 0.948 119.717 118.700 0.116 0.000 2.752 119 N HA 0.325 4.961 4.740 -0.175 0.000 0.260 119 N C -0.021 175.521 175.510 0.053 0.000 1.562 119 N CA 0.176 53.279 53.050 0.090 0.000 0.788 119 N CB 0.905 39.443 38.487 0.084 0.000 1.192 119 N HN 0.371 nan 8.380 nan 0.000 0.503 120 A N 2.458 125.311 122.820 0.055 0.000 2.140 120 A HA 0.190 4.405 4.320 -0.175 0.000 0.209 120 A C 1.843 179.453 177.584 0.043 0.000 1.181 120 A CA 0.064 52.124 52.037 0.039 0.000 0.824 120 A CB 0.094 19.115 19.000 0.036 0.000 0.879 120 A HN 0.446 nan 8.150 nan 0.000 0.480 121 I N 0.130 120.732 120.570 0.053 0.000 2.133 121 I HA -0.061 4.004 4.170 -0.175 0.000 0.238 121 I C 0.480 176.627 176.117 0.050 0.000 1.074 121 I CA 1.246 62.576 61.300 0.051 0.000 1.342 121 I CB -1.059 36.973 38.000 0.053 0.000 1.053 121 I HN 0.105 nan 8.210 nan 0.000 0.404 122 K N 0.791 121.225 120.400 0.057 0.000 2.143 122 K HA 0.271 4.487 4.320 -0.175 0.000 0.272 122 K C 0.619 177.250 176.600 0.050 0.000 1.001 122 K CA -0.015 56.312 56.287 0.066 0.000 0.915 122 K CB 1.396 33.950 32.500 0.091 0.000 1.047 122 K HN -0.009 nan 8.250 nan 0.000 0.458 123 K N 1.193 121.614 120.400 0.034 0.000 2.554 123 K HA 0.130 4.345 4.320 -0.175 0.000 0.211 123 K C 1.116 177.688 176.600 -0.047 0.000 1.226 123 K CA -0.004 56.280 56.287 -0.004 0.000 1.025 123 K CB 0.781 33.268 32.500 -0.021 0.000 1.021 123 K HN 0.389 nan 8.250 nan 0.000 0.600 124 R N 0.249 120.731 120.500 -0.030 0.000 2.048 124 R HA 0.040 4.275 4.340 -0.175 0.000 0.224 124 R C 1.174 177.321 176.300 -0.255 0.000 1.163 124 R CA 0.922 56.909 56.100 -0.189 0.000 0.956 124 R CB 0.181 30.369 30.300 -0.186 0.000 0.849 124 R HN 0.202 nan 8.270 nan 0.000 0.435 125 W N 1.180 122.459 121.300 -0.035 0.000 3.139 125 W HA 0.118 4.673 4.660 -0.175 0.000 0.260 125 W C -1.172 175.323 176.519 -0.040 0.000 1.312 125 W CA -0.075 57.247 57.345 -0.038 0.000 1.606 125 W CB -0.148 29.293 29.460 -0.032 0.000 1.118 125 W HN 0.236 nan 8.180 nan 0.000 0.675 126 P HA -0.123 nan 4.420 nan 0.000 0.223 126 P C 1.777 179.072 177.300 -0.007 0.000 1.151 126 P CA 1.400 64.534 63.100 0.056 0.000 0.787 126 P CB 0.033 31.758 31.700 0.043 0.000 0.788 127 S N -0.058 115.608 115.700 -0.056 0.000 2.402 127 S HA -0.065 4.301 4.470 -0.175 0.000 0.229 127 S C 2.054 176.590 174.600 -0.108 0.000 1.021 127 S CA 1.089 59.224 58.200 -0.109 0.000 0.974 127 S CB -0.847 62.258 63.200 -0.157 0.000 0.800 127 S HN 0.122 nan 8.310 nan 0.000 0.484 128 A N 1.081 123.851 122.820 -0.084 0.000 1.969 128 A HA 0.260 4.475 4.320 -0.175 0.000 0.218 128 A C 2.377 179.943 177.584 -0.031 0.000 1.169 128 A CA 1.619 53.632 52.037 -0.040 0.000 0.635 128 A CB -1.147 17.930 19.000 0.128 0.000 0.810 128 A HN 0.736 nan 8.150 nan 0.000 0.445 129 A N -0.123 122.698 122.820 0.002 0.000 2.067 129 A HA -0.071 4.145 4.320 -0.175 0.000 0.219 129 A C 2.008 179.563 177.584 -0.049 0.000 1.158 129 A CA 1.138 53.166 52.037 -0.014 0.000 0.661 129 A CB -0.329 18.682 19.000 0.019 0.000 0.801 129 A HN 0.541 nan 8.150 nan 0.000 0.452 130 R N -1.028 119.434 120.500 -0.064 0.000 2.320 130 R HA 0.196 4.431 4.340 -0.175 0.000 0.211 130 R C 1.533 177.769 176.300 -0.107 0.000 0.931 130 R CA 0.329 56.381 56.100 -0.080 0.000 1.071 130 R CB 0.068 30.312 30.300 -0.093 0.000 1.025 130 R HN 0.416 nan 8.270 nan 0.000 0.495 131 R N -1.178 119.236 120.500 -0.144 0.000 2.383 131 R HA 0.151 4.386 4.340 -0.175 0.000 0.205 131 R C 1.010 177.054 176.300 -0.427 0.000 0.875 131 R CA -0.119 55.857 56.100 -0.206 0.000 1.039 131 R CB 0.214 30.405 30.300 -0.182 0.000 1.267 131 R HN 0.014 nan 8.270 nan 0.000 0.635 132 L N 0.920 121.909 121.223 -0.390 0.000 2.549 132 L HA -0.031 4.204 4.340 -0.175 0.000 0.229 132 L C 1.716 178.441 176.870 -0.242 0.000 1.158 132 L CA 1.609 56.178 54.840 -0.452 0.000 0.842 132 L CB -0.210 41.714 42.059 -0.224 0.000 0.952 132 L HN 0.119 nan 8.230 nan 0.000 0.452 133 T N -1.762 112.701 114.554 -0.152 0.000 2.939 133 T HA -0.057 4.188 4.350 -0.175 0.000 0.254 133 T C 1.652 176.359 174.700 0.011 0.000 1.041 133 T CA 0.656 62.728 62.100 -0.047 0.000 1.142 133 T CB 0.070 68.919 68.868 -0.031 0.000 0.874 133 T HN 0.328 nan 8.240 nan 0.000 0.452 134 E N 0.224 120.434 120.200 0.017 0.000 2.268 134 E HA -0.100 4.145 4.350 -0.175 0.000 0.195 134 E C 1.617 178.370 176.600 0.254 0.000 0.995 134 E CA 0.647 57.114 56.400 0.112 0.000 0.836 134 E CB -0.095 29.668 29.700 0.106 0.000 0.763 134 E HN 0.482 nan 8.360 nan 0.000 0.491 135 Y N -0.220 120.085 120.300 0.008 0.000 2.145 135 Y HA -0.176 4.270 4.550 -0.175 0.000 0.286 135 Y C 2.317 178.223 175.900 0.010 0.000 1.145 135 Y CA 0.415 58.522 58.100 0.011 0.000 1.148 135 Y CB -0.947 37.519 38.460 0.010 0.000 0.981 135 Y HN -0.034 nan 8.280 nan 0.000 0.507 136 V N -0.124 119.898 119.914 0.181 0.000 2.951 136 V HA -0.153 3.862 4.120 -0.175 0.000 0.255 136 V C 1.905 178.034 176.094 0.059 0.000 1.088 136 V CA 1.248 63.603 62.300 0.092 0.000 1.109 136 V CB -0.259 31.605 31.823 0.067 0.000 0.724 136 V HN 0.319 nan 8.190 nan 0.000 0.471 137 K N -0.080 120.364 120.400 0.073 0.000 2.097 137 K HA -0.107 4.108 4.320 -0.175 0.000 0.205 137 K C 1.960 178.600 176.600 0.067 0.000 1.050 137 K CA 1.304 57.628 56.287 0.061 0.000 0.938 137 K CB -0.095 32.444 32.500 0.065 0.000 0.718 137 K HN 0.402 nan 8.250 nan 0.000 0.442 138 K N -0.170 120.278 120.400 0.081 0.000 2.486 138 K HA -0.026 4.189 4.320 -0.175 0.000 0.194 138 K C 1.027 177.650 176.600 0.039 0.000 1.033 138 K CA 0.756 57.096 56.287 0.088 0.000 1.004 138 K CB 0.396 32.953 32.500 0.095 0.000 0.798 138 K HN -0.093 nan 8.250 nan 0.000 0.495 139 T N 0.399 114.951 114.554 -0.003 0.000 3.393 139 T HA 0.516 4.761 4.350 -0.175 0.000 0.255 139 T C -0.818 173.821 174.700 -0.102 0.000 1.008 139 T CA -0.421 61.651 62.100 -0.047 0.000 1.053 139 T CB 0.020 68.877 68.868 -0.018 0.000 1.120 139 T HN 0.211 nan 8.240 nan 0.000 0.538 140 A N 1.167 123.866 122.820 -0.202 0.000 2.548 140 A HA 0.913 5.128 4.320 -0.175 0.000 0.282 140 A C 0.114 177.393 177.584 -0.507 0.000 1.288 140 A CA -0.625 51.274 52.037 -0.229 0.000 0.748 140 A CB 1.245 20.180 19.000 -0.108 0.000 1.339 140 A HN 0.562 nan 8.150 nan 0.000 0.475 141 M N -2.064 117.367 119.600 -0.283 0.000 2.309 141 M HA 0.311 4.686 4.480 -0.175 0.000 0.438 141 M C 0.194 176.503 176.300 0.016 0.000 1.004 141 M CA 0.466 55.654 55.300 -0.187 0.000 1.024 141 M CB 0.318 32.850 32.600 -0.113 0.000 2.095 141 M HN 0.646 nan 8.290 nan 0.000 0.701 142 K N 0.125 120.521 120.400 -0.006 0.000 2.418 142 K HA 0.657 4.872 4.320 -0.175 0.000 0.208 142 K C 1.278 177.893 176.600 0.024 0.000 1.261 142 K CA 0.682 56.980 56.287 0.019 0.000 0.874 142 K CB 0.405 32.910 32.500 0.007 0.000 1.451 142 K HN 0.259 nan 8.250 nan 0.000 0.466 143 A N 1.423 124.251 122.820 0.013 0.000 5.093 143 A HA -0.452 3.764 4.320 -0.175 0.000 0.329 143 A C 1.600 179.195 177.584 0.018 0.000 1.836 143 A CA 2.438 54.486 52.037 0.019 0.000 0.707 143 A CB -1.544 17.474 19.000 0.031 0.000 1.389 143 A HN 0.456 nan 8.150 nan 0.000 0.383 144 Q N -2.297 117.516 119.800 0.021 0.000 2.389 144 Q HA 0.491 4.726 4.340 -0.175 0.000 0.201 144 Q C 0.345 176.355 176.000 0.018 0.000 0.956 144 Q CA 1.221 57.035 55.803 0.018 0.000 0.871 144 Q CB 0.892 29.640 28.738 0.017 0.000 0.990 144 Q HN 1.473 nan 8.270 nan 0.000 0.554 145 V N 1.076 121.003 119.914 0.021 0.000 2.763 145 V HA 0.396 4.412 4.120 -0.175 0.000 0.257 145 V C -1.921 174.188 176.094 0.025 0.000 0.906 145 V CA -0.521 61.791 62.300 0.020 0.000 0.894 145 V CB 0.890 32.721 31.823 0.015 0.000 1.052 145 V HN 0.391 nan 8.190 nan 0.000 0.491 146 c N 6.604 125.225 118.600 0.034 0.000 2.782 146 c HA 0.599 5.065 4.570 -0.175 0.000 0.328 146 c C -2.572 171.553 174.090 0.058 0.000 1.145 146 c CA -0.769 55.588 56.329 0.047 0.000 1.358 146 c CB 2.722 45.272 42.510 0.066 0.000 1.841 146 c HN 0.689 nan 8.230 nan 0.000 0.477 147 P HA 0.155 nan 4.420 nan 0.000 0.206 147 P C -0.175 177.172 177.300 0.078 0.000 1.854 147 P CA 0.004 63.138 63.100 0.056 0.000 0.969 147 P CB -0.637 31.079 31.700 0.028 0.000 1.843 148 H N 1.021 120.096 119.070 0.007 0.000 3.192 148 H HA -0.155 4.296 4.556 -0.175 0.000 0.304 148 H C 0.854 176.185 175.328 0.005 0.000 0.961 148 H CA 0.551 56.604 56.048 0.008 0.000 1.342 148 H CB 0.421 30.190 29.762 0.011 0.000 1.242 148 H HN 0.453 nan 8.280 nan 0.000 0.583 149 C N 2.946 121.865 119.300 -0.635 0.000 2.529 149 C HA 0.963 5.318 4.460 -0.175 0.000 0.076 149 C C 1.398 175.980 174.990 -0.679 0.000 2.319 149 C CA 0.221 58.962 59.018 -0.462 0.000 1.550 149 C CB -0.176 27.422 27.740 -0.237 0.000 2.479 149 C HN 1.380 nan 8.230 nan 0.000 0.351 150 G N -0.242 108.320 108.800 -0.396 0.000 2.353 150 G HA2 0.266 4.122 3.960 -0.175 0.000 0.615 150 G HA3 0.266 4.122 3.960 -0.175 0.000 0.615 150 G C -1.120 173.710 174.900 -0.117 0.000 1.280 150 G CA -0.386 44.575 45.100 -0.231 0.000 1.000 150 G HN 0.841 nan 8.290 nan 0.000 0.516 176 T N 2.492 117.178 114.554 0.221 0.000 2.744 176 T HA 0.309 4.554 4.350 -0.175 0.000 0.291 176 T C -1.846 172.993 174.700 0.232 0.000 0.957 176 T CA -1.037 61.247 62.100 0.306 0.000 1.002 176 T CB 1.970 70.828 68.868 -0.018 0.000 0.919 176 T HN -0.153 nan 8.240 nan 0.000 0.468 177 P HA -0.188 nan 4.420 nan 0.000 0.216 177 P C 1.769 179.156 177.300 0.145 0.000 1.154 177 P CA 1.118 64.362 63.100 0.240 0.000 0.865 177 P CB 0.048 31.945 31.700 0.329 0.000 0.789 178 S N -1.639 114.131 115.700 0.117 0.000 2.423 178 S HA -0.147 4.219 4.470 -0.175 0.000 0.231 178 S C 1.644 176.247 174.600 0.005 0.000 1.014 178 S CA 1.289 59.509 58.200 0.033 0.000 0.965 178 S CB -1.002 62.176 63.200 -0.036 0.000 0.785 178 S HN 0.154 nan 8.310 nan 0.000 0.495 179 D N 1.320 121.723 120.400 0.006 0.000 2.271 179 D HA 0.196 4.731 4.640 -0.175 0.000 0.206 179 D C 1.876 178.179 176.300 0.004 0.000 0.967 179 D CA 0.675 54.672 54.000 -0.006 0.000 0.867 179 D CB -0.049 40.742 40.800 -0.015 0.000 0.960 179 D HN 0.458 nan 8.370 nan 0.000 0.509 180 I N 0.835 121.422 120.570 0.028 0.000 2.353 180 I HA -0.162 3.903 4.170 -0.175 0.000 0.248 180 I C 2.618 178.725 176.117 -0.017 0.000 1.119 180 I CA 0.661 61.970 61.300 0.016 0.000 1.417 180 I CB -0.129 37.898 38.000 0.045 0.000 1.078 180 I HN -0.160 nan 8.210 nan 0.000 0.421 181 R N 1.329 121.824 120.500 -0.008 0.000 2.115 181 R HA -0.140 4.095 4.340 -0.175 0.000 0.230 181 R C 2.035 178.304 176.300 -0.052 0.000 1.111 181 R CA 1.225 57.303 56.100 -0.037 0.000 0.976 181 R CB -0.016 30.281 30.300 -0.004 0.000 0.870 181 R HN 0.367 nan 8.270 nan 0.000 0.445 182 E N -0.288 119.892 120.200 -0.033 0.000 2.204 182 E HA -0.175 4.070 4.350 -0.175 0.000 0.194 182 E C 1.914 178.487 176.600 -0.046 0.000 0.989 182 E CA 0.883 57.261 56.400 -0.037 0.000 0.824 182 E CB 0.126 29.810 29.700 -0.026 0.000 0.756 182 E HN 0.321 nan 8.360 nan 0.000 0.477 183 R N -0.078 120.394 120.500 -0.047 0.000 2.200 183 R HA 0.068 4.303 4.340 -0.175 0.000 0.208 183 R C 1.935 178.186 176.300 -0.082 0.000 1.033 183 R CA 0.448 56.520 56.100 -0.047 0.000 1.000 183 R CB 0.191 30.473 30.300 -0.029 0.000 0.906 183 R HN 0.128 nan 8.270 nan 0.000 0.462 184 L N -0.213 120.932 121.223 -0.129 0.000 2.529 184 L HA 0.094 4.330 4.340 -0.175 0.000 0.223 184 L C 1.521 178.249 176.870 -0.238 0.000 1.113 184 L CA 0.423 55.121 54.840 -0.237 0.000 0.861 184 L CB 0.181 42.050 42.059 -0.317 0.000 1.012 184 L HN 0.133 nan 8.230 nan 0.000 0.461 185 E N 0.974 121.080 120.200 -0.157 0.000 2.403 185 E HA 0.022 4.267 4.350 -0.175 0.000 0.188 185 E C 0.062 176.600 176.600 -0.103 0.000 1.056 185 E CA 0.041 56.359 56.400 -0.137 0.000 0.892 185 E CB 0.392 30.038 29.700 -0.090 0.000 1.049 185 E HN 0.248 nan 8.360 nan 0.000 0.465 186 K N 0.838 121.181 120.400 -0.096 0.000 3.022 186 K HA 0.189 4.404 4.320 -0.175 0.000 0.178 186 K C -1.162 175.406 176.600 -0.053 0.000 1.089 186 K CA -0.248 56.001 56.287 -0.062 0.000 0.916 186 K CB 1.437 33.914 32.500 -0.039 0.000 1.159 186 K HN -0.065 nan 8.250 nan 0.000 0.592 187 V N -1.160 118.711 119.914 -0.072 0.000 2.577 187 V HA 0.463 4.478 4.120 -0.175 0.000 0.294 187 V C -2.611 173.453 176.094 -0.051 0.000 1.052 187 V CA -1.968 60.306 62.300 -0.043 0.000 0.891 187 V CB 1.288 33.097 31.823 -0.023 0.000 1.017 187 V HN 0.162 nan 8.190 nan 0.000 0.436 188 P HA 0.349 nan 4.420 nan 0.000 0.293 188 P C 0.738 178.024 177.300 -0.023 0.000 1.298 188 P CA -0.027 63.056 63.100 -0.029 0.000 0.757 188 P CB 1.206 32.896 31.700 -0.018 0.000 1.262 189 E N -0.289 119.898 120.200 -0.022 0.000 2.110 189 E HA -0.147 4.098 4.350 -0.175 0.000 0.193 189 E C 2.030 178.627 176.600 -0.005 0.000 0.988 189 E CA 1.734 58.125 56.400 -0.016 0.000 0.804 189 E CB -0.330 29.358 29.700 -0.019 0.000 0.745 189 E HN 0.484 nan 8.360 nan 0.000 0.458 190 S N 1.070 116.766 115.700 -0.008 0.000 2.383 190 S HA -0.175 4.190 4.470 -0.175 0.000 0.227 190 S C 1.565 176.173 174.600 0.014 0.000 1.026 190 S CA 1.274 59.470 58.200 -0.006 0.000 0.981 190 S CB -0.125 63.066 63.200 -0.014 0.000 0.818 190 S HN 0.062 nan 8.310 nan 0.000 0.472 191 D N 1.681 122.096 120.400 0.025 0.000 2.097 191 D HA -0.075 4.460 4.640 -0.175 0.000 0.195 191 D C 2.241 178.598 176.300 0.095 0.000 0.989 191 D CA 1.681 55.713 54.000 0.054 0.000 0.827 191 D CB -0.405 40.429 40.800 0.056 0.000 0.966 191 D HN 0.481 nan 8.370 nan 0.000 0.456 192 V N -1.130 118.854 119.914 0.118 0.000 2.453 192 V HA -0.091 3.924 4.120 -0.175 0.000 0.247 192 V C 1.902 178.101 176.094 0.175 0.000 1.048 192 V CA 1.297 63.716 62.300 0.200 0.000 1.049 192 V CB -0.740 31.197 31.823 0.191 0.000 0.672 192 V HN 0.068 nan 8.190 nan 0.000 0.457 193 E N 0.464 120.718 120.200 0.089 0.000 2.106 193 E HA -0.079 4.166 4.350 -0.175 0.000 0.192 193 E C 2.181 178.796 176.600 0.024 0.000 0.984 193 E CA 1.627 58.055 56.400 0.048 0.000 0.806 193 E CB -0.224 29.482 29.700 0.010 0.000 0.750 193 E HN 0.634 nan 8.360 nan 0.000 0.458 194 I N 0.922 121.507 120.570 0.025 0.000 2.394 194 I HA -0.253 3.812 4.170 -0.175 0.000 0.251 194 I C 2.176 178.296 176.117 0.006 0.000 1.136 194 I CA 0.779 62.083 61.300 0.007 0.000 1.425 194 I CB -0.013 37.991 38.000 0.007 0.000 1.079 194 I HN 0.114 nan 8.210 nan 0.000 0.425 195 L N 0.166 121.415 121.223 0.043 0.000 2.056 195 L HA -0.024 4.211 4.340 -0.175 0.000 0.207 195 L C 1.286 178.140 176.870 -0.027 0.000 1.078 195 L CA 1.171 56.040 54.840 0.048 0.000 0.749 195 L CB -0.525 41.589 42.059 0.092 0.000 0.901 195 L HN 0.484 nan 8.230 nan 0.000 0.433 196 G N -1.484 107.284 108.800 -0.052 0.000 2.441 196 G HA2 -0.135 3.720 3.960 -0.175 0.000 0.139 196 G HA3 -0.135 3.720 3.960 -0.175 0.000 0.139 196 G C -0.834 173.748 174.900 -0.530 0.000 1.067 196 G CA -0.853 44.081 45.100 -0.276 0.000 0.766 196 G HN 0.096 nan 8.290 nan 0.000 0.484 197 Y N -0.172 120.136 120.300 0.013 0.000 2.534 197 Y HA 0.546 4.991 4.550 -0.175 0.000 0.345 197 Y C -0.044 175.873 175.900 0.028 0.000 1.031 197 Y CA -1.177 56.949 58.100 0.044 0.000 1.022 197 Y CB 1.678 40.203 38.460 0.109 0.000 1.292 197 Y HN 0.148 nan 8.280 nan 0.000 0.459 198 D N 3.700 124.203 120.400 0.172 0.000 2.345 198 D HA 0.136 4.671 4.640 -0.175 0.000 0.247 198 D C -1.866 174.479 176.300 0.075 0.000 1.108 198 D CA -1.503 52.555 54.000 0.096 0.000 0.894 198 D CB 1.936 42.786 40.800 0.084 0.000 1.203 198 D HN 0.272 nan 8.370 nan 0.000 0.430 199 P HA 0.073 nan 4.420 nan 0.000 0.245 199 P C 0.745 178.017 177.300 -0.047 0.000 1.203 199 P CA 0.320 63.400 63.100 -0.033 0.000 0.792 199 P CB 0.707 32.396 31.700 -0.019 0.000 0.997 200 T N -1.406 113.162 114.554 0.024 0.000 3.156 200 T HA 0.007 4.252 4.350 -0.175 0.000 0.236 200 T C 1.719 176.525 174.700 0.177 0.000 0.978 200 T CA 1.311 63.461 62.100 0.082 0.000 1.240 200 T CB -1.114 67.793 68.868 0.065 0.000 0.951 200 T HN 0.009 nan 8.240 nan 0.000 0.420 201 T N 2.797 117.438 114.554 0.145 0.000 2.951 201 T HA 0.074 4.319 4.350 -0.175 0.000 0.268 201 T C 1.027 175.888 174.700 0.269 0.000 1.073 201 T CA 0.798 63.006 62.100 0.181 0.000 1.134 201 T CB -0.177 68.765 68.868 0.123 0.000 0.884 201 T HN 0.531 nan 8.240 nan 0.000 0.479 202 S N 0.306 116.121 115.700 0.192 0.000 2.569 202 S HA 0.787 5.152 4.470 -0.175 0.000 0.280 202 S C -1.091 173.385 174.600 -0.207 0.000 1.111 202 S CA -1.191 57.087 58.200 0.130 0.000 0.887 202 S CB 2.835 66.073 63.200 0.064 0.000 1.095 202 S HN 0.207 nan 8.310 nan 0.000 0.476 203 R N 0.760 120.962 120.500 -0.496 0.000 2.668 203 R HA 0.435 4.670 4.340 -0.175 0.000 0.272 203 R C -2.323 173.518 176.300 -0.765 0.000 1.019 203 R CA -2.181 53.394 56.100 -0.876 0.000 0.894 203 R CB 2.207 31.458 30.300 -1.747 0.000 1.228 203 R HN 0.428 nan 8.270 nan 0.000 0.460 204 P HA -0.166 nan 4.420 nan 0.000 0.218 204 P C 0.216 177.185 177.300 -0.552 0.000 1.148 204 P CA 1.483 64.096 63.100 -0.811 0.000 0.822 204 P CB 0.456 31.458 31.700 -1.162 0.000 0.784 205 E N -1.029 118.842 120.200 -0.549 0.000 2.204 205 E HA -0.139 4.106 4.350 -0.175 0.000 0.194 205 E C 1.706 178.250 176.600 -0.093 0.000 0.989 205 E CA 0.988 57.202 56.400 -0.309 0.000 0.824 205 E CB -0.693 28.840 29.700 -0.278 0.000 0.756 205 E HN 0.394 nan 8.360 nan 0.000 0.477 206 W N -0.220 120.940 121.300 -0.234 0.000 2.905 206 W HA 0.237 4.792 4.660 -0.175 0.000 0.251 206 W C 1.596 177.935 176.519 -0.300 0.000 1.305 206 W CA 0.027 57.238 57.345 -0.224 0.000 1.465 206 W CB -0.690 28.638 29.460 -0.220 0.000 1.122 206 W HN 0.159 nan 8.180 nan 0.000 0.659 207 M N -0.117 119.336 119.600 -0.245 0.000 2.099 207 M HA -0.088 4.287 4.480 -0.175 0.000 0.262 207 M C 0.752 177.064 176.300 0.020 0.000 1.067 207 M CA 1.396 56.481 55.300 -0.359 0.000 1.124 207 M CB -0.499 31.848 32.600 -0.423 0.000 1.353 207 M HN -0.355 nan 8.290 nan 0.000 0.410 208 I N 1.664 122.252 120.570 0.029 0.000 2.452 208 I HA 0.054 4.119 4.170 -0.175 0.000 0.287 208 I C -0.449 175.746 176.117 0.129 0.000 1.079 208 I CA -0.214 61.153 61.300 0.110 0.000 1.387 208 I CB 0.435 38.483 38.000 0.081 0.000 1.404 208 I HN 0.128 nan 8.210 nan 0.000 0.522 209 L N 6.496 127.825 121.223 0.176 0.000 2.334 209 L HA 0.357 4.592 4.340 -0.175 0.000 0.277 209 L C 0.862 177.815 176.870 0.139 0.000 1.075 209 L CA -0.113 54.827 54.840 0.166 0.000 0.804 209 L CB 1.228 43.429 42.059 0.237 0.000 1.174 209 L HN 0.649 nan 8.230 nan 0.000 0.438 210 T N 0.157 114.773 114.554 0.102 0.000 2.987 210 T HA 0.173 4.419 4.350 -0.175 0.000 0.248 210 T C 0.213 174.950 174.700 0.063 0.000 0.997 210 T CA 0.104 62.252 62.100 0.080 0.000 1.013 210 T CB 0.690 69.594 68.868 0.059 0.000 1.077 210 T HN 0.235 nan 8.240 nan 0.000 0.483 211 V N 2.500 122.441 119.914 0.044 0.000 2.483 211 V HA 0.561 4.576 4.120 -0.175 0.000 0.297 211 V C -1.039 175.107 176.094 0.086 0.000 1.027 211 V CA -1.021 61.301 62.300 0.036 0.000 0.855 211 V CB 2.178 33.971 31.823 -0.051 0.000 0.995 211 V HN 0.329 nan 8.190 nan 0.000 0.424 212 L N 8.131 129.439 121.223 0.141 0.000 2.287 212 L HA 0.679 4.914 4.340 -0.175 0.000 0.287 212 L C -2.397 174.628 176.870 0.258 0.000 1.022 212 L CA -1.685 53.288 54.840 0.222 0.000 0.814 212 L CB 2.347 44.534 42.059 0.212 0.000 1.217 212 L HN 0.426 nan 8.230 nan 0.000 0.420 213 P HA 0.124 nan 4.420 nan 0.000 0.287 213 P C -0.643 176.912 177.300 0.425 0.000 1.294 213 P CA -0.193 63.209 63.100 0.504 0.000 0.776 213 P CB 1.348 33.331 31.700 0.471 0.000 0.889 214 V N 7.082 127.155 119.914 0.265 0.000 2.479 214 V HA 0.100 4.115 4.120 -0.175 0.000 0.281 214 V C -1.528 174.631 176.094 0.109 0.000 1.031 214 V CA -1.188 61.195 62.300 0.137 0.000 1.038 214 V CB 0.040 31.871 31.823 0.013 0.000 0.981 214 V HN 0.565 nan 8.190 nan 0.000 0.478 215 P HA 0.194 nan 4.420 nan 0.000 0.269 215 P C -2.672 174.470 177.300 -0.263 0.000 1.209 215 P CA -1.554 61.475 63.100 -0.119 0.000 0.776 215 P CB -0.059 31.672 31.700 0.051 0.000 0.876 216 P HA 0.084 nan 4.420 nan 0.000 0.266 216 P C 1.332 178.538 177.300 -0.157 0.000 1.193 216 P CA 0.169 63.079 63.100 -0.317 0.000 0.770 216 P CB 0.248 31.714 31.700 -0.390 0.000 0.836 217 I N 1.870 122.386 120.570 -0.091 0.000 2.530 217 I HA -0.260 3.805 4.170 -0.175 0.000 0.257 217 I C 1.191 177.280 176.117 -0.047 0.000 1.179 217 I CA 1.675 62.944 61.300 -0.051 0.000 1.440 217 I CB -0.077 37.905 38.000 -0.031 0.000 1.087 217 I HN 0.340 nan 8.210 nan 0.000 0.440 218 T N 0.962 115.479 114.554 -0.062 0.000 2.915 218 T HA -0.058 4.187 4.350 -0.175 0.000 0.269 218 T C 1.699 176.368 174.700 -0.051 0.000 1.071 218 T CA 1.220 63.288 62.100 -0.053 0.000 1.132 218 T CB -0.192 68.638 68.868 -0.064 0.000 0.878 218 T HN 0.388 nan 8.240 nan 0.000 0.479 219 I N 0.416 120.948 120.570 -0.063 0.000 3.226 219 I HA 0.081 4.147 4.170 -0.175 0.000 0.277 219 I C 0.057 176.163 176.117 -0.018 0.000 1.243 219 I CA 0.362 61.637 61.300 -0.042 0.000 1.459 219 I CB 0.091 38.063 38.000 -0.046 0.000 1.093 219 I HN 0.090 nan 8.210 nan 0.000 0.453 220 R N 0.974 121.465 120.500 -0.015 0.000 2.576 220 R HA 0.392 4.627 4.340 -0.175 0.000 0.283 220 R C -2.828 173.469 176.300 -0.004 0.000 1.493 220 R CA -1.435 54.666 56.100 0.001 0.000 1.170 220 R CB 0.034 30.348 30.300 0.023 0.000 1.189 220 R HN -0.099 nan 8.270 nan 0.000 0.542 221 P HA 0.389 nan 4.420 nan 0.000 0.301 221 P C -0.542 176.752 177.300 -0.009 0.000 1.309 221 P CA -0.674 62.419 63.100 -0.011 0.000 0.782 221 P CB 1.073 32.765 31.700 -0.014 0.000 1.282 222 S N -0.482 115.210 115.700 -0.012 0.000 2.617 222 S HA 0.743 5.108 4.470 -0.175 0.000 0.283 222 S C 0.183 174.773 174.600 -0.016 0.000 1.189 222 S CA -0.509 57.682 58.200 -0.015 0.000 1.036 222 S CB 0.162 63.353 63.200 -0.016 0.000 1.014 222 S HN 0.566 nan 8.310 nan 0.000 0.522 223 I N 0.817 121.375 120.570 -0.019 0.000 2.951 223 I HA 0.471 4.536 4.170 -0.175 0.000 0.304 223 I C -2.160 173.944 176.117 -0.021 0.000 1.550 223 I CA -0.774 60.515 61.300 -0.018 0.000 0.947 223 I CB 1.780 39.770 38.000 -0.016 0.000 1.351 223 I HN 0.652 nan 8.210 nan 0.000 0.548 234 D N -0.374 120.051 120.400 0.042 0.000 2.526 234 D HA 0.107 4.642 4.640 -0.175 0.000 0.293 234 D C 1.281 177.628 176.300 0.079 0.000 1.081 234 D CA -0.022 54.015 54.000 0.063 0.000 0.924 234 D CB 0.839 41.665 40.800 0.043 0.000 1.498 234 D HN 0.283 nan 8.370 nan 0.000 0.497 235 L N 0.833 122.098 121.223 0.071 0.000 2.249 235 L HA 0.038 4.273 4.340 -0.175 0.000 0.207 235 L C 2.041 178.970 176.870 0.098 0.000 1.090 235 L CA 0.947 55.847 54.840 0.099 0.000 0.802 235 L CB -0.024 42.092 42.059 0.096 0.000 0.947 235 L HN -0.074 nan 8.230 nan 0.000 0.453 236 T N -1.801 112.796 114.554 0.070 0.000 2.777 236 T HA -0.238 4.008 4.350 -0.175 0.000 0.266 236 T C 1.676 176.403 174.700 0.045 0.000 1.040 236 T CA 1.598 63.726 62.100 0.047 0.000 1.141 236 T CB -0.360 68.530 68.868 0.037 0.000 0.868 236 T HN 0.432 nan 8.240 nan 0.000 0.444 237 H N 1.793 120.835 119.070 -0.048 0.000 2.321 237 H HA 0.002 4.453 4.556 -0.175 0.000 0.300 237 H C 2.207 177.439 175.328 -0.161 0.000 1.087 237 H CA 1.928 57.926 56.048 -0.083 0.000 1.319 237 H CB -0.153 29.575 29.762 -0.057 0.000 1.379 237 H HN 0.375 nan 8.280 nan 0.000 0.501 238 K N -0.132 120.181 120.400 -0.144 0.000 2.365 238 K HA -0.039 4.176 4.320 -0.175 0.000 0.199 238 K C 2.099 178.580 176.600 -0.198 0.000 1.045 238 K CA 0.929 57.074 56.287 -0.237 0.000 0.962 238 K CB -0.199 32.269 32.500 -0.053 0.000 0.759 238 K HN 0.385 nan 8.250 nan 0.000 0.469 239 L N 0.423 121.564 121.223 -0.137 0.000 2.179 239 L HA -0.064 4.171 4.340 -0.175 0.000 0.208 239 L C 1.854 178.587 176.870 -0.230 0.000 1.096 239 L CA 0.510 55.238 54.840 -0.187 0.000 0.779 239 L CB 0.073 42.067 42.059 -0.107 0.000 0.922 239 L HN 0.031 nan 8.230 nan 0.000 0.443 240 V N -0.339 119.442 119.914 -0.222 0.000 2.515 240 V HA -0.259 3.757 4.120 -0.175 0.000 0.250 240 V C 1.660 177.577 176.094 -0.295 0.000 1.058 240 V CA 1.678 63.845 62.300 -0.221 0.000 1.064 240 V CB -0.637 31.068 31.823 -0.197 0.000 0.675 240 V HN 0.461 nan 8.190 nan 0.000 0.461 241 D N -0.193 119.949 120.400 -0.431 0.000 2.403 241 D HA -0.043 4.493 4.640 -0.175 0.000 0.227 241 D C 1.723 177.628 176.300 -0.659 0.000 0.995 241 D CA 0.983 54.609 54.000 -0.623 0.000 0.928 241 D CB 0.119 40.403 40.800 -0.860 0.000 0.887 241 D HN 0.466 nan 8.370 nan 0.000 0.529 242 I N -0.557 119.787 120.570 -0.377 0.000 2.810 242 I HA -0.115 3.950 4.170 -0.175 0.000 0.262 242 I C 2.198 178.227 176.117 -0.147 0.000 1.131 242 I CA 0.221 61.382 61.300 -0.233 0.000 1.453 242 I CB 0.128 37.975 38.000 -0.255 0.000 1.161 242 I HN -0.181 nan 8.210 nan 0.000 0.444 243 V N 1.272 121.097 119.914 -0.149 0.000 2.515 243 V HA -0.218 3.797 4.120 -0.175 0.000 0.250 243 V C 2.575 178.627 176.094 -0.071 0.000 1.058 243 V CA 1.640 63.885 62.300 -0.092 0.000 1.064 243 V CB -0.953 30.818 31.823 -0.087 0.000 0.675 243 V HN 0.405 nan 8.190 nan 0.000 0.461 244 R N 0.354 120.796 120.500 -0.096 0.000 2.083 244 R HA -0.151 4.084 4.340 -0.175 0.000 0.237 244 R C 2.236 178.521 176.300 -0.026 0.000 1.137 244 R CA 1.889 57.951 56.100 -0.064 0.000 0.951 244 R CB -0.152 30.095 30.300 -0.089 0.000 0.851 244 R HN 0.386 nan 8.270 nan 0.000 0.434 245 I N 1.412 121.971 120.570 -0.017 0.000 2.439 245 I HA -0.202 3.864 4.170 -0.175 0.000 0.251 245 I C 1.902 178.042 176.117 0.038 0.000 1.139 245 I CA 0.912 62.233 61.300 0.035 0.000 1.438 245 I CB -1.499 36.556 38.000 0.092 0.000 1.085 245 I HN 0.339 nan 8.210 nan 0.000 0.427 246 N N 1.152 119.863 118.700 0.019 0.000 2.485 246 N HA -0.151 4.484 4.740 -0.175 0.000 0.199 246 N C 1.331 176.853 175.510 0.020 0.000 1.236 246 N CA 0.442 53.508 53.050 0.027 0.000 0.852 246 N CB 0.456 38.952 38.487 0.015 0.000 1.018 246 N HN 0.394 nan 8.380 nan 0.000 0.457 247 E N 0.065 120.274 120.200 0.015 0.000 2.354 247 E HA 0.179 4.425 4.350 -0.175 0.000 0.203 247 E C 1.714 178.326 176.600 0.020 0.000 0.841 247 E CA 0.127 56.534 56.400 0.013 0.000 1.046 247 E CB 0.193 29.894 29.700 0.001 0.000 1.040 247 E HN 0.120 nan 8.360 nan 0.000 0.504 248 R N 0.318 120.832 120.500 0.024 0.000 2.120 248 R HA 0.004 4.239 4.340 -0.175 0.000 0.234 248 R C 2.205 178.528 176.300 0.039 0.000 1.123 248 R CA 1.182 57.299 56.100 0.029 0.000 0.975 248 R CB -0.207 30.112 30.300 0.031 0.000 0.866 248 R HN 0.240 nan 8.270 nan 0.000 0.446 249 L N 0.651 121.905 121.223 0.052 0.000 2.156 249 L HA -0.136 4.099 4.340 -0.175 0.000 0.208 249 L C 2.168 179.064 176.870 0.044 0.000 1.095 249 L CA 1.265 56.142 54.840 0.062 0.000 0.770 249 L CB -0.180 41.934 42.059 0.091 0.000 0.914 249 L HN 0.138 nan 8.230 nan 0.000 0.439 250 K N -0.103 120.319 120.400 0.036 0.000 2.097 250 K HA -0.231 3.984 4.320 -0.175 0.000 0.205 250 K C 1.893 178.506 176.600 0.020 0.000 1.050 250 K CA 1.374 57.677 56.287 0.027 0.000 0.938 250 K CB -0.026 32.487 32.500 0.022 0.000 0.718 250 K HN 0.282 nan 8.250 nan 0.000 0.442 251 E N 1.081 121.293 120.200 0.020 0.000 2.285 251 E HA -0.074 4.172 4.350 -0.175 0.000 0.194 251 E C 0.649 177.259 176.600 0.016 0.000 0.997 251 E CA 0.642 57.051 56.400 0.015 0.000 0.845 251 E CB 0.291 29.999 29.700 0.014 0.000 0.782 251 E HN 0.157 nan 8.360 nan 0.000 0.491 252 S N -0.379 115.334 115.700 0.021 0.000 2.596 252 S HA 0.229 4.594 4.470 -0.175 0.000 0.248 252 S C 0.972 175.582 174.600 0.016 0.000 1.162 252 S CA -0.481 57.731 58.200 0.020 0.000 1.185 252 S CB -0.229 62.988 63.200 0.027 0.000 0.833 252 S HN 0.255 nan 8.310 nan 0.000 0.472 253 I N 0.100 120.677 120.570 0.012 0.000 2.899 253 I HA 0.221 4.286 4.170 -0.175 0.000 0.257 253 I C 0.923 177.041 176.117 0.003 0.000 1.115 253 I CA 0.316 61.620 61.300 0.006 0.000 1.451 253 I CB 0.165 38.169 38.000 0.007 0.000 1.251 253 I HN 0.233 nan 8.210 nan 0.000 0.456 254 D N 0.786 121.188 120.400 0.004 0.000 2.469 254 D HA 0.217 4.752 4.640 -0.175 0.000 0.213 254 D C 0.779 177.081 176.300 0.003 0.000 1.135 254 D CA 0.124 54.126 54.000 0.002 0.000 0.834 254 D CB 0.640 41.441 40.800 0.001 0.000 1.009 254 D HN 0.122 nan 8.370 nan 0.000 0.507 255 A N 0.947 123.770 122.820 0.005 0.000 3.202 255 A HA 0.554 4.769 4.320 -0.175 0.000 0.258 255 A C 1.051 178.638 177.584 0.005 0.000 1.572 255 A CA 0.030 52.070 52.037 0.005 0.000 1.241 255 A CB -0.979 18.025 19.000 0.006 0.000 1.127 255 A HN 0.143 nan 8.150 nan 0.000 0.648 256 G N -0.026 108.775 108.800 0.003 0.000 2.331 256 G HA2 0.185 4.040 3.960 -0.175 0.000 0.254 256 G HA3 0.185 4.040 3.960 -0.175 0.000 0.254 256 G C 0.150 175.052 174.900 0.004 0.000 0.879 256 G CA 0.213 45.314 45.100 0.003 0.000 1.287 256 G HN 1.911 nan 8.290 nan 0.000 0.383 257 A N 3.913 126.735 122.820 0.003 0.000 2.399 257 A HA 0.804 5.020 4.320 -0.175 0.000 0.327 257 A C -0.757 176.829 177.584 0.002 0.000 1.367 257 A CA -1.059 50.981 52.037 0.006 0.000 0.842 257 A CB 0.888 19.892 19.000 0.007 0.000 1.142 257 A HN 0.524 nan 8.150 nan 0.000 0.495 258 P HA 0.117 nan 4.420 nan 0.000 0.291 258 P C 1.002 178.305 177.300 0.005 0.000 1.287 258 P CA -0.432 62.670 63.100 0.004 0.000 0.767 258 P CB 0.526 32.230 31.700 0.007 0.000 1.290 259 Q N -0.750 119.053 119.800 0.005 0.000 2.049 259 Q HA -0.029 4.206 4.340 -0.175 0.000 0.198 259 Q C 1.998 178.012 176.000 0.024 0.000 0.971 259 Q CA 1.505 57.312 55.803 0.006 0.000 0.833 259 Q CB -0.709 28.031 28.738 0.004 0.000 0.896 259 Q HN 0.367 nan 8.270 nan 0.000 0.434 260 L N 0.109 121.350 121.223 0.030 0.000 2.191 260 L HA -0.147 4.088 4.340 -0.175 0.000 0.212 260 L C 2.290 179.195 176.870 0.058 0.000 1.103 260 L CA 0.603 55.470 54.840 0.045 0.000 0.769 260 L CB -0.264 41.815 42.059 0.034 0.000 0.908 260 L HN 0.176 nan 8.230 nan 0.000 0.438 261 I N -0.496 120.101 120.570 0.046 0.000 2.233 261 I HA -0.299 3.766 4.170 -0.175 0.000 0.243 261 I C 2.397 178.561 176.117 0.077 0.000 1.093 261 I CA 1.322 62.654 61.300 0.054 0.000 1.380 261 I CB -0.095 37.927 38.000 0.036 0.000 1.067 261 I HN 0.192 nan 8.210 nan 0.000 0.413 262 I N 0.643 121.248 120.570 0.057 0.000 2.493 262 I HA -0.253 3.813 4.170 -0.175 0.000 0.254 262 I C 2.091 178.298 176.117 0.150 0.000 1.160 262 I CA 1.637 62.971 61.300 0.057 0.000 1.445 262 I CB 0.026 38.009 38.000 -0.029 0.000 1.086 262 I HN 0.315 nan 8.210 nan 0.000 0.433 263 E N 0.147 120.456 120.200 0.182 0.000 2.140 263 E HA -0.148 4.098 4.350 -0.175 0.000 0.191 263 E C 1.349 178.162 176.600 0.355 0.000 0.973 263 E CA 0.753 57.387 56.400 0.390 0.000 0.829 263 E CB 0.158 30.027 29.700 0.281 0.000 0.781 263 E HN 0.419 nan 8.360 nan 0.000 0.466 264 D N 0.431 120.944 120.400 0.187 0.000 2.234 264 D HA -0.045 4.490 4.640 -0.175 0.000 0.205 264 D C 1.726 178.084 176.300 0.096 0.000 0.962 264 D CA 0.671 54.737 54.000 0.110 0.000 0.855 264 D CB 0.193 41.031 40.800 0.064 0.000 0.951 264 D HN 0.122 nan 8.370 nan 0.000 0.500 265 L N -1.103 120.204 121.223 0.139 0.000 2.249 265 L HA 0.053 4.288 4.340 -0.175 0.000 0.207 265 L C 2.060 179.034 176.870 0.173 0.000 1.090 265 L CA 0.202 55.120 54.840 0.129 0.000 0.802 265 L CB -0.202 41.929 42.059 0.119 0.000 0.947 265 L HN 0.143 nan 8.230 nan 0.000 0.453 266 W N 1.546 122.870 121.300 0.040 0.000 2.402 266 W HA -0.134 4.421 4.660 -0.174 0.000 0.286 266 W C 1.548 178.102 176.519 0.058 0.000 1.221 266 W CA 0.946 58.319 57.345 0.047 0.000 1.257 266 W CB -0.009 29.474 29.460 0.037 0.000 1.120 266 W HN 0.049 nan 8.180 nan 0.000 0.551 267 D N 0.303 120.569 120.400 -0.224 0.000 2.340 267 D HA 0.024 4.559 4.640 -0.175 0.000 0.220 267 D C 1.924 178.137 176.300 -0.145 0.000 1.039 267 D CA 0.623 54.405 54.000 -0.362 0.000 0.866 267 D CB 0.015 40.676 40.800 -0.232 0.000 0.913 267 D HN 0.302 nan 8.370 nan 0.000 0.523 268 L N -0.371 120.820 121.223 -0.053 0.000 2.357 268 L HA 0.134 4.369 4.340 -0.175 0.000 0.211 268 L C 2.192 179.114 176.870 0.086 0.000 1.075 268 L CA 0.169 55.017 54.840 0.014 0.000 0.830 268 L CB 0.364 42.453 42.059 0.050 0.000 0.996 268 L HN -0.024 nan 8.230 nan 0.000 0.467 269 L N -0.676 120.572 121.223 0.042 0.000 2.156 269 L HA -0.145 4.090 4.340 -0.175 0.000 0.208 269 L C 2.089 178.952 176.870 -0.013 0.000 1.095 269 L CA 1.002 55.873 54.840 0.051 0.000 0.770 269 L CB -0.155 41.942 42.059 0.063 0.000 0.914 269 L HN 0.331 nan 8.230 nan 0.000 0.439 270 Q N -1.545 118.173 119.800 -0.137 0.000 2.515 270 Q HA -0.180 4.055 4.340 -0.175 0.000 0.212 270 Q C 1.241 177.195 176.000 -0.077 0.000 0.970 270 Q CA 0.847 56.556 55.803 -0.157 0.000 0.941 270 Q CB 0.252 28.783 28.738 -0.346 0.000 0.998 270 Q HN 0.501 nan 8.270 nan 0.000 0.518 271 Y N -1.550 118.656 120.300 -0.157 0.000 2.447 271 Y HA 0.014 4.459 4.550 -0.175 0.000 0.286 271 Y C 1.648 177.448 175.900 -0.166 0.000 1.153 271 Y CA 1.057 59.043 58.100 -0.190 0.000 1.241 271 Y CB 0.088 38.373 38.460 -0.292 0.000 1.284 271 Y HN 0.058 nan 8.280 nan 0.000 0.520 272 H N -1.040 118.130 119.070 0.167 0.000 2.333 272 H HA -0.096 4.355 4.556 -0.175 0.000 0.302 272 H C 2.232 177.499 175.328 -0.103 0.000 1.075 272 H CA 1.955 58.048 56.048 0.075 0.000 1.348 272 H CB -0.077 29.740 29.762 0.092 0.000 1.393 272 H HN 0.180 nan 8.280 nan 0.000 0.509 273 V N 0.778 120.688 119.914 -0.007 0.000 2.287 273 V HA -0.283 3.732 4.120 -0.175 0.000 0.248 273 V C 2.489 178.390 176.094 -0.321 0.000 1.053 273 V CA 1.840 64.025 62.300 -0.190 0.000 1.027 273 V CB -0.825 30.978 31.823 -0.033 0.000 0.646 273 V HN 0.568 nan 8.190 nan 0.000 0.447 274 A N -1.125 121.635 122.820 -0.101 0.000 2.119 274 A HA -0.125 4.090 4.320 -0.175 0.000 0.217 274 A C 2.301 179.804 177.584 -0.136 0.000 1.153 274 A CA 1.912 53.935 52.037 -0.023 0.000 0.692 274 A CB -0.553 18.435 19.000 -0.021 0.000 0.799 274 A HN 0.511 nan 8.150 nan 0.000 0.458 275 T N -1.899 112.510 114.554 -0.241 0.000 2.894 275 T HA -0.044 4.201 4.350 -0.175 0.000 0.258 275 T C 1.727 176.359 174.700 -0.113 0.000 1.043 275 T CA 1.210 63.163 62.100 -0.245 0.000 1.141 275 T CB -0.371 68.243 68.868 -0.423 0.000 0.873 275 T HN 0.609 nan 8.240 nan 0.000 0.449 276 Y N 1.515 121.650 120.300 -0.275 0.000 2.193 276 Y HA -0.193 4.252 4.550 -0.174 0.000 0.285 276 Y C 1.487 177.265 175.900 -0.203 0.000 1.166 276 Y CA 1.141 59.072 58.100 -0.282 0.000 1.181 276 Y CB -0.521 37.678 38.460 -0.436 0.000 0.976 276 Y HN 0.136 nan 8.280 nan 0.000 0.520 277 F N 0.177 120.030 119.950 -0.161 0.000 2.059 277 F HA 0.038 4.460 4.527 -0.175 0.000 0.289 277 F C 1.064 176.741 175.800 -0.204 0.000 1.128 277 F CA 1.177 59.027 58.000 -0.249 0.000 1.181 277 F CB -0.896 37.984 39.000 -0.201 0.000 1.012 277 F HN -0.078 nan 8.300 nan 0.000 0.473 278 D N -0.890 119.528 120.400 0.030 0.000 2.362 278 D HA 0.208 4.743 4.640 -0.175 0.000 0.247 278 D C -1.322 174.943 176.300 -0.057 0.000 1.050 278 D CA -0.329 53.653 54.000 -0.029 0.000 0.839 278 D CB 1.208 41.980 40.800 -0.046 0.000 1.283 278 D HN 0.042 nan 8.370 nan 0.000 0.477 279 N N 2.585 121.258 118.700 -0.045 0.000 2.687 279 N HA 0.192 4.828 4.740 -0.175 0.000 0.275 279 N C -0.234 175.262 175.510 -0.024 0.000 1.789 279 N CA -0.037 52.987 53.050 -0.042 0.000 0.806 279 N CB 0.416 38.889 38.487 -0.024 0.000 1.256 279 N HN 0.534 nan 8.380 nan 0.000 0.500 280 E N -0.046 120.137 120.200 -0.029 0.000 1.964 280 E HA 0.094 4.339 4.350 -0.175 0.000 0.242 280 E C 0.377 176.964 176.600 -0.021 0.000 1.079 280 E CA 0.222 56.612 56.400 -0.018 0.000 1.600 280 E CB -0.347 29.347 29.700 -0.011 0.000 3.831 280 E HN 0.281 nan 8.360 nan 0.000 0.963 281 I N 2.346 122.901 120.570 -0.026 0.000 2.617 281 I HA 0.087 4.152 4.170 -0.175 0.000 0.256 281 I C -1.250 174.851 176.117 -0.027 0.000 1.167 281 I CA -0.125 61.160 61.300 -0.025 0.000 1.469 281 I CB -1.107 36.877 38.000 -0.026 0.000 1.098 281 I HN 0.089 nan 8.210 nan 0.000 0.436 282 P HA 0.003 nan 4.420 nan 0.000 0.273 282 P C 0.682 177.967 177.300 -0.027 0.000 1.258 282 P CA 0.026 63.100 63.100 -0.043 0.000 0.802 282 P CB 0.235 31.886 31.700 -0.081 0.000 1.040 283 G N 0.315 109.104 108.800 -0.018 0.000 3.180 283 G HA2 0.111 3.967 3.960 -0.175 0.000 0.252 283 G HA3 0.111 3.967 3.960 -0.175 0.000 0.252 283 G C 0.285 175.189 174.900 0.006 0.000 0.871 283 G CA -0.235 44.864 45.100 -0.002 0.000 1.979 283 G HN 0.636 nan 8.290 nan 0.000 0.624 284 L N -0.856 120.367 121.223 0.000 0.000 3.943 284 L HA -0.186 4.049 4.340 -0.175 0.000 0.529 284 L C -0.805 176.087 176.870 0.036 0.000 1.173 284 L CA -0.512 54.335 54.840 0.012 0.000 0.737 284 L CB 0.120 42.186 42.059 0.011 0.000 1.321 284 L HN 0.354 nan 8.230 nan 0.000 0.794 285 P HA -0.108 nan 4.420 nan 0.000 0.214 285 P C -1.226 176.163 177.300 0.148 0.000 1.163 285 P CA 1.294 64.487 63.100 0.155 0.000 0.883 285 P CB -0.360 31.441 31.700 0.168 0.000 0.788 286 P HA 0.222 nan 4.420 nan 0.000 0.282 286 P C -0.793 176.589 177.300 0.138 0.000 1.373 286 P CA -0.009 63.145 63.100 0.089 0.000 1.001 286 P CB 0.271 32.004 31.700 0.054 0.000 1.489 287 S N 0.957 116.801 115.700 0.240 0.000 3.024 287 S HA -0.093 4.272 4.470 -0.175 0.000 0.819 287 S C -0.644 174.091 174.600 0.226 0.000 0.863 287 S CA 0.179 58.555 58.200 0.293 0.000 1.423 287 S CB -1.308 62.112 63.200 0.365 0.000 1.032 287 S HN 0.470 nan 8.310 nan 0.000 0.510 288 K N 3.416 123.922 120.400 0.177 0.000 2.501 288 K HA 0.671 4.887 4.320 -0.175 0.000 0.252 288 K C -1.467 175.169 176.600 0.060 0.000 0.934 288 K CA -1.094 55.284 56.287 0.152 0.000 0.797 288 K CB 1.345 33.883 32.500 0.065 0.000 1.270 288 K HN 0.493 nan 8.250 nan 0.000 0.431 289 H N 1.473 120.598 119.070 0.092 0.000 2.970 289 H HA 0.377 4.828 4.556 -0.175 0.000 0.315 289 H C -0.252 175.150 175.328 0.123 0.000 0.992 289 H CA -0.423 55.688 56.048 0.103 0.000 1.363 289 H CB 1.218 31.038 29.762 0.096 0.000 1.532 289 H HN 0.794 nan 8.280 nan 0.000 0.514 290 R N -0.283 120.291 120.500 0.123 0.000 1.639 290 R HA -0.319 3.916 4.340 -0.175 0.000 0.043 290 R C 2.154 178.490 176.300 0.060 0.000 0.951 290 R CA 2.555 58.709 56.100 0.091 0.000 1.908 290 R CB -1.827 28.541 30.300 0.114 0.000 0.286 290 R HN 0.631 nan 8.270 nan 0.000 0.722 291 S N -0.249 115.490 115.700 0.066 0.000 2.393 291 S HA -0.146 4.219 4.470 -0.175 0.000 0.234 291 S C 1.784 176.405 174.600 0.035 0.000 1.064 291 S CA 2.792 61.018 58.200 0.044 0.000 1.088 291 S CB -0.868 62.360 63.200 0.047 0.000 0.939 291 S HN 1.760 nan 8.310 nan 0.000 0.448 292 G N 0.964 109.789 108.800 0.041 0.000 2.195 292 G HA2 -0.286 3.569 3.960 -0.175 0.000 0.246 292 G HA3 -0.286 3.569 3.960 -0.175 0.000 0.246 292 G C 0.137 175.055 174.900 0.030 0.000 0.984 292 G CA 0.188 45.305 45.100 0.028 0.000 0.633 292 G HN 0.805 nan 8.290 nan 0.000 0.525 293 R N 1.331 121.853 120.500 0.037 0.000 2.265 293 R HA 0.527 4.763 4.340 -0.175 0.000 0.319 293 R C -2.284 174.044 176.300 0.047 0.000 1.006 293 R CA -1.832 54.288 56.100 0.034 0.000 0.880 293 R CB 0.814 31.130 30.300 0.027 0.000 1.077 293 R HN 0.029 nan 8.270 nan 0.000 0.454 294 P HA -0.114 nan 4.420 nan 0.000 0.261 294 P C -0.424 176.911 177.300 0.058 0.000 1.173 294 P CA 0.102 63.235 63.100 0.054 0.000 0.760 294 P CB 0.353 32.077 31.700 0.039 0.000 0.783 295 L N 3.654 124.922 121.223 0.076 0.000 2.473 295 L HA 0.145 4.381 4.340 -0.175 0.000 0.268 295 L C 0.975 177.874 176.870 0.048 0.000 1.215 295 L CA 0.284 55.168 54.840 0.074 0.000 0.823 295 L CB -0.107 42.012 42.059 0.100 0.000 1.099 295 L HN 0.424 nan 8.230 nan 0.000 0.483 296 R N 0.256 120.780 120.500 0.040 0.000 2.295 296 R HA 0.498 4.734 4.340 -0.175 0.000 0.324 296 R C 0.040 176.349 176.300 0.014 0.000 0.968 296 R CA -0.550 55.564 56.100 0.024 0.000 0.837 296 R CB 1.047 31.359 30.300 0.020 0.000 1.133 296 R HN 0.720 nan 8.270 nan 0.000 0.450 297 T N -1.403 113.149 114.554 -0.004 0.000 2.919 297 T HA 0.371 4.616 4.350 -0.175 0.000 0.282 297 T C 1.297 175.966 174.700 -0.053 0.000 1.020 297 T CA -1.059 61.017 62.100 -0.040 0.000 0.994 297 T CB 0.843 69.673 68.868 -0.062 0.000 1.180 297 T HN 0.366 nan 8.240 nan 0.000 0.566 298 L N 0.419 121.576 121.223 -0.110 0.000 2.021 298 L HA -0.135 4.100 4.340 -0.175 0.000 0.215 298 L C 3.078 179.940 176.870 -0.014 0.000 1.074 298 L CA 2.000 56.800 54.840 -0.066 0.000 0.760 298 L CB -0.857 41.139 42.059 -0.105 0.000 0.889 298 L HN 0.943 nan 8.230 nan 0.000 0.433 299 A N -1.270 121.540 122.820 -0.015 0.000 2.066 299 A HA -0.170 4.046 4.320 -0.175 0.000 0.218 299 A C 2.130 179.721 177.584 0.012 0.000 1.157 299 A CA 1.092 53.130 52.037 0.003 0.000 0.670 299 A CB -0.243 18.750 19.000 -0.012 0.000 0.804 299 A HN 0.503 nan 8.150 nan 0.000 0.453 300 Q N -1.140 118.662 119.800 0.004 0.000 2.402 300 Q HA 0.084 4.319 4.340 -0.175 0.000 0.206 300 Q C 2.063 178.076 176.000 0.022 0.000 0.919 300 Q CA 0.157 55.968 55.803 0.012 0.000 0.923 300 Q CB 0.124 28.865 28.738 0.005 0.000 1.048 300 Q HN 0.605 nan 8.270 nan 0.000 0.515 301 R N 0.064 120.575 120.500 0.018 0.000 2.096 301 R HA -0.078 4.158 4.340 -0.175 0.000 0.235 301 R C 1.907 178.233 176.300 0.043 0.000 1.127 301 R CA 1.074 57.186 56.100 0.021 0.000 0.968 301 R CB -0.009 30.297 30.300 0.011 0.000 0.861 301 R HN 0.225 nan 8.270 nan 0.000 0.440 302 L N -0.066 121.201 121.223 0.073 0.000 2.202 302 L HA -0.006 4.229 4.340 -0.175 0.000 0.205 302 L C 2.489 179.459 176.870 0.166 0.000 1.083 302 L CA 0.768 55.700 54.840 0.154 0.000 0.790 302 L CB -0.294 41.892 42.059 0.213 0.000 0.942 302 L HN 0.068 nan 8.230 nan 0.000 0.452 303 K N 0.975 121.431 120.400 0.093 0.000 2.097 303 K HA -0.066 4.149 4.320 -0.175 0.000 0.206 303 K C 1.028 177.666 176.600 0.062 0.000 1.049 303 K CA 0.717 57.042 56.287 0.063 0.000 0.933 303 K CB -0.273 32.245 32.500 0.031 0.000 0.717 303 K HN 0.276 nan 8.250 nan 0.000 0.442 304 G N 1.325 110.161 108.800 0.059 0.000 2.321 304 G HA2 -0.121 3.735 3.960 -0.175 0.000 0.237 304 G HA3 -0.121 3.735 3.960 -0.175 0.000 0.237 304 G C -0.142 174.794 174.900 0.060 0.000 1.282 304 G CA -0.161 44.969 45.100 0.050 0.000 0.886 304 G HN 0.297 nan 8.290 nan 0.000 0.528 305 K N 0.896 121.325 120.400 0.049 0.000 2.611 305 K HA -0.007 4.208 4.320 -0.175 0.000 0.193 305 K C 0.959 177.588 176.600 0.047 0.000 1.026 305 K CA 0.623 56.942 56.287 0.052 0.000 1.063 305 K CB 0.253 32.780 32.500 0.046 0.000 0.839 305 K HN 0.616 nan 8.250 nan 0.000 0.505 306 E N -0.623 119.604 120.200 0.045 0.000 2.639 306 E HA 0.072 4.317 4.350 -0.175 0.000 0.225 306 E C 0.261 176.881 176.600 0.033 0.000 0.921 306 E CA -0.106 56.314 56.400 0.034 0.000 1.184 306 E CB 1.557 31.271 29.700 0.024 0.000 1.160 306 E HN 0.172 nan 8.360 nan 0.000 0.547 307 G N 0.690 109.517 108.800 0.045 0.000 2.566 307 G HA2 0.399 4.254 3.960 -0.175 0.000 0.311 307 G HA3 0.399 4.254 3.960 -0.175 0.000 0.311 307 G C 0.377 175.293 174.900 0.028 0.000 1.322 307 G CA -0.422 44.696 45.100 0.029 0.000 0.969 307 G HN -0.146 nan 8.290 nan 0.000 0.490 308 R N 0.431 120.911 120.500 -0.034 0.000 1.368 308 R HA -0.251 3.984 4.340 -0.175 0.000 0.041 308 R C 0.688 176.898 176.300 -0.150 0.000 0.958 308 R CA 2.060 58.070 56.100 -0.150 0.000 1.925 308 R CB -1.640 28.510 30.300 -0.249 0.000 0.221 308 R HN 0.589 nan 8.270 nan 0.000 0.717 309 F N 3.851 123.812 119.950 0.017 0.000 2.651 309 F HA 0.253 4.675 4.527 -0.175 0.000 0.369 309 F C 1.558 177.366 175.800 0.014 0.000 1.187 309 F CA 0.875 58.885 58.000 0.016 0.000 1.335 309 F CB -0.036 38.971 39.000 0.012 0.000 1.707 309 F HN 0.248 nan 8.300 nan 0.000 0.637 310 R N -1.489 119.093 120.500 0.136 0.000 1.541 310 R HA -0.081 4.154 4.340 -0.175 0.000 0.241 310 R C 1.641 177.973 176.300 0.054 0.000 0.502 310 R CA 0.494 56.649 56.100 0.092 0.000 2.326 310 R CB -1.265 29.090 30.300 0.092 0.000 1.418 310 R HN 0.449 nan 8.270 nan 0.000 0.380 311 G N -0.310 108.513 108.800 0.038 0.000 2.921 311 G HA2 0.077 3.933 3.960 -0.175 0.000 0.213 311 G HA3 0.077 3.933 3.960 -0.175 0.000 0.213 311 G C 0.753 175.656 174.900 0.004 0.000 1.143 311 G CA 0.570 45.682 45.100 0.021 0.000 0.764 311 G HN 0.261 nan 8.290 nan 0.000 0.542 312 N N -1.371 117.323 118.700 -0.010 0.000 2.200 312 N HA 0.254 4.890 4.740 -0.175 0.000 0.233 312 N C 1.496 176.987 175.510 -0.032 0.000 1.236 312 N CA -0.148 52.886 53.050 -0.027 0.000 0.845 312 N CB 0.544 39.000 38.487 -0.052 0.000 1.257 312 N HN 0.073 nan 8.380 nan 0.000 0.472 313 L N -0.907 120.294 121.223 -0.037 0.000 2.433 313 L HA 0.320 4.556 4.340 -0.175 0.000 0.200 313 L C 1.491 178.373 176.870 0.018 0.000 1.059 313 L CA 0.627 55.447 54.840 -0.033 0.000 0.835 313 L CB 0.148 42.145 42.059 -0.103 0.000 1.076 313 L HN -0.016 nan 8.230 nan 0.000 0.481 314 S N -0.893 114.836 115.700 0.049 0.000 2.517 314 S HA 0.245 4.611 4.470 -0.175 0.000 0.214 314 S C 0.639 175.267 174.600 0.045 0.000 0.991 314 S CA 0.358 58.594 58.200 0.061 0.000 0.906 314 S CB 0.446 63.701 63.200 0.092 0.000 0.789 314 S HN 0.392 nan 8.310 nan 0.000 0.513 315 G N 1.329 110.153 108.800 0.040 0.000 2.704 315 G HA2 0.518 4.373 3.960 -0.175 0.000 0.280 315 G HA3 0.518 4.373 3.960 -0.175 0.000 0.280 315 G C -0.999 173.919 174.900 0.031 0.000 1.499 315 G CA -0.550 44.572 45.100 0.036 0.000 1.146 315 G HN 0.096 nan 8.290 nan 0.000 0.558 316 K N 1.046 121.467 120.400 0.034 0.000 2.245 316 K HA 0.581 4.796 4.320 -0.175 0.000 0.234 316 K C 0.002 176.623 176.600 0.035 0.000 1.021 316 K CA -0.940 55.364 56.287 0.028 0.000 0.898 316 K CB 2.066 34.582 32.500 0.027 0.000 1.163 316 K HN 0.348 nan 8.250 nan 0.000 0.459 317 R N 0.986 121.499 120.500 0.021 0.000 2.368 317 R HA 0.361 4.597 4.340 -0.175 0.000 0.302 317 R C -0.451 175.857 176.300 0.013 0.000 1.002 317 R CA -0.719 55.389 56.100 0.013 0.000 0.929 317 R CB 1.234 31.531 30.300 -0.005 0.000 1.073 317 R HN 0.401 nan 8.270 nan 0.000 0.464 318 V N -1.255 118.665 119.914 0.010 0.000 2.823 318 V HA 0.440 4.456 4.120 -0.175 0.000 0.312 318 V C -0.396 175.684 176.094 -0.022 0.000 1.072 318 V CA -1.231 61.085 62.300 0.026 0.000 0.937 318 V CB 2.100 33.985 31.823 0.103 0.000 1.013 318 V HN 0.569 nan 8.190 nan 0.000 0.430 319 D N 1.693 122.086 120.400 -0.011 0.000 2.384 319 D HA 0.525 5.060 4.640 -0.175 0.000 0.244 319 D C -0.237 176.059 176.300 -0.007 0.000 1.251 319 D CA 0.291 54.217 54.000 -0.123 0.000 0.961 319 D CB -0.054 40.626 40.800 -0.201 0.000 1.116 319 D HN 0.667 nan 8.370 nan 0.000 0.484 320 F N -0.410 119.512 119.950 -0.047 0.000 2.773 320 F HA -0.217 4.205 4.527 -0.175 0.000 0.251 320 F C -0.082 175.667 175.800 -0.085 0.000 1.020 320 F CA 0.266 58.241 58.000 -0.042 0.000 0.924 320 F CB -1.979 37.014 39.000 -0.012 0.000 0.919 320 F HN 0.174 nan 8.300 nan 0.000 0.846 321 S N -1.328 114.359 115.700 -0.022 0.000 2.566 321 S HA 0.759 5.124 4.470 -0.175 0.000 0.273 321 S C -0.648 173.899 174.600 -0.087 0.000 1.157 321 S CA -0.371 57.721 58.200 -0.180 0.000 0.938 321 S CB 2.184 65.057 63.200 -0.545 0.000 1.087 321 S HN 0.490 nan 8.310 nan 0.000 0.474 322 S N 1.345 117.051 115.700 0.011 0.000 2.566 322 S HA 0.787 5.152 4.470 -0.175 0.000 0.298 322 S C -0.898 173.833 174.600 0.219 0.000 1.083 322 S CA -0.787 57.491 58.200 0.130 0.000 0.978 322 S CB 1.585 64.943 63.200 0.262 0.000 1.073 322 S HN 0.851 nan 8.310 nan 0.000 0.491 323 R N 1.771 122.354 120.500 0.137 0.000 2.532 323 R HA 0.655 4.890 4.340 -0.175 0.000 0.297 323 R C -1.462 174.765 176.300 -0.123 0.000 0.984 323 R CA -0.257 55.895 56.100 0.086 0.000 0.884 323 R CB 1.686 31.995 30.300 0.015 0.000 1.182 323 R HN 0.784 nan 8.270 nan 0.000 0.442 324 T N 1.319 115.685 114.554 -0.314 0.000 2.816 324 T HA 0.252 4.498 4.350 -0.175 0.000 0.299 324 T C -0.702 173.818 174.700 -0.300 0.000 1.230 324 T CA -0.693 61.134 62.100 -0.456 0.000 1.007 324 T CB 1.577 69.945 68.868 -0.834 0.000 1.289 324 T HN 0.223 nan 8.240 nan 0.000 0.508 325 V N 2.444 122.233 119.914 -0.207 0.000 2.843 325 V HA 0.290 4.305 4.120 -0.175 0.000 0.305 325 V C 0.583 176.649 176.094 -0.047 0.000 1.065 325 V CA -0.389 61.855 62.300 -0.092 0.000 1.116 325 V CB 0.048 31.837 31.823 -0.057 0.000 0.968 325 V HN 0.782 nan 8.190 nan 0.000 0.487 326 I N 2.157 122.777 120.570 0.083 0.000 2.460 326 I HA 0.850 4.916 4.170 -0.175 0.000 0.298 326 I C 0.018 176.349 176.117 0.357 0.000 0.989 326 I CA -0.138 61.306 61.300 0.239 0.000 1.173 326 I CB 2.049 40.234 38.000 0.308 0.000 1.338 326 I HN 0.713 nan 8.210 nan 0.000 0.456 327 S N 5.240 121.076 115.700 0.226 0.000 2.570 327 S HA 0.717 5.082 4.470 -0.175 0.000 0.286 327 S C -2.922 171.370 174.600 -0.513 0.000 1.099 327 S CA -1.408 56.730 58.200 -0.103 0.000 0.913 327 S CB 1.840 64.974 63.200 -0.111 0.000 1.085 327 S HN 0.638 nan 8.310 nan 0.000 0.480 328 P HA 0.467 nan 4.420 nan 0.000 0.274 328 P C -1.263 175.818 177.300 -0.364 0.000 1.231 328 P CA 0.054 62.535 63.100 -1.032 0.000 0.790 328 P CB 0.444 31.454 31.700 -1.150 0.000 0.951 329 D N 1.681 121.984 120.400 -0.162 0.000 2.613 329 D HA 0.185 4.720 4.640 -0.175 0.000 0.230 329 D C -1.940 174.359 176.300 -0.001 0.000 1.365 329 D CA -1.848 52.110 54.000 -0.071 0.000 0.976 329 D CB 1.589 42.362 40.800 -0.046 0.000 1.415 329 D HN 0.059 nan 8.370 nan 0.000 0.589 330 P HA -0.063 nan 4.420 nan 0.000 0.220 330 P C 0.145 177.484 177.300 0.065 0.000 1.152 330 P CA 0.497 63.650 63.100 0.089 0.000 0.812 330 P CB 0.570 32.312 31.700 0.070 0.000 0.792 331 N N 1.388 120.106 118.700 0.030 0.000 2.364 331 N HA 0.316 4.952 4.740 -0.175 0.000 0.264 331 N C 0.742 176.261 175.510 0.015 0.000 1.263 331 N CA -0.572 52.489 53.050 0.020 0.000 0.959 331 N CB -0.115 38.379 38.487 0.012 0.000 1.204 331 N HN 0.157 nan 8.380 nan 0.000 0.550 332 I N -3.683 116.895 120.570 0.013 0.000 8.905 332 I HA -0.266 3.799 4.170 -0.175 0.000 0.126 332 I C -0.088 176.037 176.117 0.013 0.000 1.862 332 I CA -0.112 61.195 61.300 0.013 0.000 2.041 332 I CB -0.888 37.117 38.000 0.007 0.000 3.915 332 I HN 0.472 nan 8.210 nan 0.000 0.170 333 S N 4.583 120.289 115.700 0.010 0.000 2.580 333 S HA 0.357 4.723 4.470 -0.175 0.000 0.266 333 S C 1.305 175.910 174.600 0.008 0.000 1.354 333 S CA 0.099 58.299 58.200 0.000 0.000 1.008 333 S CB 0.667 63.864 63.200 -0.005 0.000 0.898 333 S HN 0.607 nan 8.310 nan 0.000 0.555 334 I N 1.551 122.115 120.570 -0.011 0.000 2.361 334 I HA -0.158 3.908 4.170 -0.175 0.000 0.251 334 I C 1.592 177.701 176.117 -0.013 0.000 1.133 334 I CA 1.283 62.579 61.300 -0.007 0.000 1.413 334 I CB -0.355 37.622 38.000 -0.039 0.000 1.073 334 I HN 0.640 nan 8.210 nan 0.000 0.424 335 D N 0.683 121.066 120.400 -0.028 0.000 2.183 335 D HA -0.054 4.481 4.640 -0.175 0.000 0.203 335 D C 0.836 177.129 176.300 -0.011 0.000 0.969 335 D CA 0.710 54.669 54.000 -0.069 0.000 0.842 335 D CB -0.003 40.774 40.800 -0.038 0.000 0.957 335 D HN 0.367 nan 8.370 nan 0.000 0.484 336 E N -0.057 120.178 120.200 0.057 0.000 2.374 336 E HA 0.272 4.517 4.350 -0.175 0.000 0.260 336 E C -0.702 175.971 176.600 0.121 0.000 1.101 336 E CA -0.233 56.214 56.400 0.079 0.000 0.907 336 E CB 2.311 32.026 29.700 0.024 0.000 1.014 336 E HN -0.194 nan 8.360 nan 0.000 0.427 337 V N 1.353 121.218 119.914 -0.080 0.000 2.638 337 V HA 0.540 4.555 4.120 -0.175 0.000 0.306 337 V C -0.381 175.563 176.094 -0.248 0.000 1.052 337 V CA -0.421 61.634 62.300 -0.409 0.000 0.885 337 V CB 1.794 32.959 31.823 -1.097 0.000 0.999 337 V HN 0.708 nan 8.190 nan 0.000 0.424 338 G N 5.510 114.209 108.800 -0.169 0.000 2.351 338 G HA2 0.524 4.380 3.960 -0.175 0.000 0.287 338 G HA3 0.524 4.380 3.960 -0.175 0.000 0.287 338 G C -0.832 174.067 174.900 -0.001 0.000 1.159 338 G CA -0.182 44.880 45.100 -0.063 0.000 0.929 338 G HN 0.804 nan 8.290 nan 0.000 0.435 339 V N 5.705 125.614 119.914 -0.008 0.000 2.448 339 V HA 0.329 4.344 4.120 -0.175 0.000 0.295 339 V C -1.953 174.153 176.094 0.020 0.000 1.025 339 V CA -1.669 60.681 62.300 0.082 0.000 0.859 339 V CB 2.334 34.162 31.823 0.008 0.000 0.988 339 V HN 0.567 nan 8.190 nan 0.000 0.431 340 P HA 0.072 nan 4.420 nan 0.000 0.269 340 P C 0.784 178.011 177.300 -0.122 0.000 1.217 340 P CA 0.040 63.110 63.100 -0.050 0.000 0.783 340 P CB 0.918 32.594 31.700 -0.040 0.000 0.898 341 E N 1.349 121.429 120.200 -0.200 0.000 2.072 341 E HA -0.143 4.103 4.350 -0.175 0.000 0.191 341 E C 1.620 178.136 176.600 -0.141 0.000 0.985 341 E CA 0.921 57.142 56.400 -0.299 0.000 0.801 341 E CB -0.203 29.305 29.700 -0.319 0.000 0.750 341 E HN 0.243 nan 8.360 nan 0.000 0.452 342 I N 1.764 122.287 120.570 -0.078 0.000 2.194 342 I HA -0.299 3.766 4.170 -0.175 0.000 0.246 342 I C 2.378 178.483 176.117 -0.019 0.000 1.093 342 I CA 1.072 62.352 61.300 -0.034 0.000 1.355 342 I CB -1.033 36.947 38.000 -0.033 0.000 1.046 342 I HN 0.287 nan 8.210 nan 0.000 0.413 343 I N 1.368 121.936 120.570 -0.004 0.000 2.226 343 I HA -0.217 3.849 4.170 -0.175 0.000 0.245 343 I C 2.855 178.987 176.117 0.025 0.000 1.100 343 I CA 1.596 62.921 61.300 0.043 0.000 1.374 343 I CB -1.607 36.476 38.000 0.139 0.000 1.057 343 I HN 0.138 nan 8.210 nan 0.000 0.413 344 A N 0.881 123.699 122.820 -0.003 0.000 1.969 344 A HA -0.161 4.054 4.320 -0.175 0.000 0.218 344 A C 2.445 180.032 177.584 0.005 0.000 1.169 344 A CA 1.073 53.123 52.037 0.022 0.000 0.635 344 A CB -0.508 18.473 19.000 -0.032 0.000 0.810 344 A HN 0.345 nan 8.150 nan 0.000 0.445 345 R N -1.023 119.459 120.500 -0.029 0.000 2.148 345 R HA -0.038 4.197 4.340 -0.175 0.000 0.223 345 R C 1.925 178.021 176.300 -0.340 0.000 1.088 345 R CA 1.613 57.570 56.100 -0.238 0.000 0.985 345 R CB -0.359 29.968 30.300 0.044 0.000 0.880 345 R HN 0.531 nan 8.270 nan 0.000 0.451 346 T N 1.297 115.777 114.554 -0.123 0.000 2.781 346 T HA 0.104 4.349 4.350 -0.175 0.000 0.252 346 T C 0.870 175.574 174.700 0.007 0.000 1.039 346 T CA 0.341 62.409 62.100 -0.053 0.000 1.147 346 T CB -0.022 68.837 68.868 -0.015 0.000 0.865 346 T HN 0.007 nan 8.240 nan 0.000 0.423 347 L N 3.238 124.494 121.223 0.055 0.000 2.455 347 L HA 0.298 4.534 4.340 -0.175 0.000 0.272 347 L C 0.543 177.495 176.870 0.136 0.000 1.174 347 L CA -0.269 54.675 54.840 0.173 0.000 0.869 347 L CB 0.057 42.207 42.059 0.152 0.000 1.130 347 L HN 0.365 nan 8.230 nan 0.000 0.474 348 T N -0.018 114.673 114.554 0.227 0.000 2.906 348 T HA 0.687 4.932 4.350 -0.175 0.000 0.295 348 T C -0.440 174.228 174.700 -0.054 0.000 1.061 348 T CA -0.881 61.285 62.100 0.110 0.000 1.000 348 T CB 2.022 71.004 68.868 0.191 0.000 1.103 348 T HN 0.355 nan 8.240 nan 0.000 0.486 349 V N -0.965 118.919 119.914 -0.049 0.000 2.459 349 V HA 0.791 4.806 4.120 -0.175 0.000 0.295 349 V C -2.925 173.146 176.094 -0.038 0.000 1.029 349 V CA -2.886 59.351 62.300 -0.105 0.000 0.874 349 V CB 1.334 33.117 31.823 -0.067 0.000 0.985 349 V HN 0.807 nan 8.190 nan 0.000 0.438 350 P HA 0.370 nan 4.420 nan 0.000 0.251 350 P C -0.474 176.839 177.300 0.021 0.000 1.718 350 P CA 0.119 63.221 63.100 0.003 0.000 1.119 350 P CB 0.380 32.072 31.700 -0.012 0.000 1.762 351 E N 3.403 123.632 120.200 0.049 0.000 2.200 351 E HA 0.202 4.447 4.350 -0.175 0.000 0.283 351 E C -0.188 176.455 176.600 0.072 0.000 1.015 351 E CA -0.779 55.659 56.400 0.063 0.000 0.819 351 E CB 0.786 30.535 29.700 0.083 0.000 1.081 351 E HN 0.243 nan 8.360 nan 0.000 0.397 352 R N 3.390 123.926 120.500 0.061 0.000 2.539 352 R HA 0.221 4.457 4.340 -0.175 0.000 0.275 352 R C -0.137 176.190 176.300 0.045 0.000 1.077 352 R CA -0.652 55.479 56.100 0.052 0.000 1.097 352 R CB 0.519 30.838 30.300 0.032 0.000 1.018 352 R HN 0.491 nan 8.270 nan 0.000 0.483 353 I N 2.057 122.652 120.570 0.041 0.000 2.517 353 I HA -0.033 4.033 4.170 -0.175 0.000 0.285 353 I C 0.781 176.846 176.117 -0.087 0.000 1.106 353 I CA 0.879 62.182 61.300 0.004 0.000 1.402 353 I CB 0.801 38.821 38.000 0.033 0.000 1.399 353 I HN 0.636 nan 8.210 nan 0.000 0.535 354 T N 3.736 118.184 114.554 -0.177 0.000 2.912 354 T HA 0.460 4.705 4.350 -0.175 0.000 0.288 354 T C -2.116 172.200 174.700 -0.640 0.000 1.030 354 T CA -2.099 59.714 62.100 -0.479 0.000 1.020 354 T CB 1.686 70.237 68.868 -0.528 0.000 1.056 354 T HN 0.241 nan 8.240 nan 0.000 0.480 355 P HA 0.049 nan 4.420 nan 0.000 0.236 355 P C 0.060 177.185 177.300 -0.292 0.000 1.172 355 P CA 0.540 63.318 63.100 -0.536 0.000 0.759 355 P CB -0.269 31.129 31.700 -0.505 0.000 0.843 356 W N -1.262 120.041 121.300 0.006 0.000 3.231 356 W HA 0.237 4.792 4.660 -0.175 0.000 0.234 356 W C 0.889 177.406 176.519 -0.003 0.000 1.099 356 W CA 0.220 57.565 57.345 -0.000 0.000 1.467 356 W CB -1.711 27.750 29.460 0.002 0.000 0.800 356 W HN -0.133 nan 8.180 nan 0.000 0.739 357 N N 2.080 120.974 118.700 0.324 0.000 2.276 357 N HA -0.016 4.619 4.740 -0.175 0.000 0.212 357 N C 0.954 176.508 175.510 0.074 0.000 1.127 357 N CA 0.366 53.539 53.050 0.205 0.000 0.834 357 N CB -0.450 38.197 38.487 0.266 0.000 1.014 357 N HN 0.265 nan 8.380 nan 0.000 0.491 358 I N 1.188 121.768 120.570 0.017 0.000 2.142 358 I HA -0.173 3.892 4.170 -0.175 0.000 0.240 358 I C 2.158 178.252 176.117 -0.038 0.000 1.078 358 I CA 1.561 62.847 61.300 -0.024 0.000 1.343 358 I CB -0.237 37.730 38.000 -0.055 0.000 1.046 358 I HN 0.176 nan 8.210 nan 0.000 0.405 359 E N 0.667 120.843 120.200 -0.041 0.000 2.268 359 E HA -0.248 3.998 4.350 -0.175 0.000 0.195 359 E C 2.201 178.718 176.600 -0.139 0.000 0.995 359 E CA 1.267 57.621 56.400 -0.076 0.000 0.836 359 E CB -0.348 29.317 29.700 -0.058 0.000 0.763 359 E HN 0.502 nan 8.360 nan 0.000 0.491 360 K N -0.293 120.028 120.400 -0.132 0.000 2.025 360 K HA -0.116 4.099 4.320 -0.175 0.000 0.207 360 K C 1.683 178.058 176.600 -0.374 0.000 1.049 360 K CA 1.121 57.249 56.287 -0.265 0.000 0.933 360 K CB -0.059 32.382 32.500 -0.098 0.000 0.714 360 K HN 0.177 nan 8.250 nan 0.000 0.438 361 L N 1.284 122.457 121.223 -0.083 0.000 2.240 361 L HA 0.014 4.249 4.340 -0.175 0.000 0.211 361 L C 2.296 179.162 176.870 -0.008 0.000 1.106 361 L CA 1.237 56.120 54.840 0.071 0.000 0.793 361 L CB -0.337 41.798 42.059 0.127 0.000 0.927 361 L HN 0.107 nan 8.230 nan 0.000 0.446 362 R N -1.065 119.389 120.500 -0.077 0.000 2.120 362 R HA -0.205 4.030 4.340 -0.175 0.000 0.234 362 R C 2.156 178.389 176.300 -0.111 0.000 1.123 362 R CA 1.164 57.214 56.100 -0.083 0.000 0.975 362 R CB -0.155 30.092 30.300 -0.088 0.000 0.866 362 R HN 0.310 nan 8.270 nan 0.000 0.446 363 Q N 0.036 119.709 119.800 -0.211 0.000 2.123 363 Q HA -0.105 4.130 4.340 -0.175 0.000 0.199 363 Q C 1.447 177.324 176.000 -0.206 0.000 0.966 363 Q CA 1.598 57.245 55.803 -0.260 0.000 0.845 363 Q CB -0.060 28.440 28.738 -0.398 0.000 0.907 363 Q HN 0.169 nan 8.270 nan 0.000 0.439 364 F N -0.882 119.017 119.950 -0.085 0.000 2.146 364 F HA -0.077 4.345 4.527 -0.174 0.000 0.298 364 F C 2.277 178.022 175.800 -0.090 0.000 1.096 364 F CA 0.830 58.764 58.000 -0.110 0.000 1.275 364 F CB -1.033 37.910 39.000 -0.095 0.000 1.008 364 F HN 0.026 nan 8.300 nan 0.000 0.480 365 V N 0.189 120.177 119.914 0.123 0.000 2.809 365 V HA -0.156 3.859 4.120 -0.175 0.000 0.256 365 V C 2.081 178.185 176.094 0.017 0.000 1.080 365 V CA 1.102 63.438 62.300 0.061 0.000 1.102 365 V CB -0.277 31.572 31.823 0.044 0.000 0.705 365 V HN 0.302 nan 8.190 nan 0.000 0.475 366 I N -0.147 120.420 120.570 -0.005 0.000 2.584 366 I HA -0.075 3.990 4.170 -0.175 0.000 0.255 366 I C 2.161 178.269 176.117 -0.015 0.000 1.145 366 I CA 1.071 62.359 61.300 -0.020 0.000 1.462 366 I CB -0.627 37.349 38.000 -0.040 0.000 1.102 366 I HN 0.387 nan 8.210 nan 0.000 0.433 367 N N 1.337 120.031 118.700 -0.011 0.000 2.069 367 N HA -0.079 4.556 4.740 -0.175 0.000 0.191 367 N C 1.185 176.687 175.510 -0.014 0.000 1.031 367 N CA 1.498 54.540 53.050 -0.014 0.000 0.852 367 N CB -0.150 38.331 38.487 -0.010 0.000 1.018 367 N HN 0.541 nan 8.380 nan 0.000 0.423 368 G N -0.241 108.551 108.800 -0.014 0.000 2.631 368 G HA2 -0.154 3.701 3.960 -0.175 0.000 0.504 368 G HA3 -0.154 3.701 3.960 -0.175 0.000 0.504 368 G C -2.291 172.601 174.900 -0.014 0.000 1.306 368 G CA -0.097 45.001 45.100 -0.003 0.000 0.897 368 G HN 0.114 nan 8.290 nan 0.000 0.520 369 P HA 0.167 nan 4.420 nan 0.000 0.245 369 P C 0.565 177.972 177.300 0.179 0.000 1.206 369 P CA 1.206 64.422 63.100 0.193 0.000 0.781 369 P CB 0.344 32.100 31.700 0.093 0.000 0.994 370 D N -0.618 119.838 120.400 0.093 0.000 2.269 370 D HA 0.012 4.548 4.640 -0.175 0.000 0.220 370 D C 0.886 177.247 176.300 0.102 0.000 0.962 370 D CA 0.900 54.956 54.000 0.094 0.000 0.884 370 D CB -0.082 40.755 40.800 0.060 0.000 1.023 370 D HN -0.062 nan 8.370 nan 0.000 0.484 371 K N 1.143 121.579 120.400 0.061 0.000 2.322 371 K HA -0.014 4.201 4.320 -0.175 0.000 0.283 371 K C 0.820 177.463 176.600 0.072 0.000 1.042 371 K CA -0.477 55.851 56.287 0.070 0.000 0.958 371 K CB 0.857 33.375 32.500 0.031 0.000 0.984 371 K HN 0.019 nan 8.250 nan 0.000 0.473 372 W N 7.454 128.742 121.300 -0.020 0.000 2.289 372 W HA -0.199 4.356 4.660 -0.174 0.000 0.331 372 W C -1.399 175.021 176.519 -0.166 0.000 1.283 372 W CA 1.421 58.756 57.345 -0.016 0.000 1.252 372 W CB -1.596 27.889 29.460 0.041 0.000 1.153 372 W HN 0.419 nan 8.180 nan 0.000 0.467 373 P HA 0.367 nan 4.420 nan 0.000 0.266 373 P C 0.005 177.161 177.300 -0.240 0.000 1.586 373 P CA 0.753 63.453 63.100 -0.667 0.000 1.088 373 P CB 0.523 31.909 31.700 -0.523 0.000 1.584 374 G N 1.539 109.975 108.800 -0.606 0.000 2.772 374 G HA2 0.755 4.610 3.960 -0.175 0.000 0.284 374 G HA3 0.755 4.610 3.960 -0.175 0.000 0.284 374 G C -1.879 172.846 174.900 -0.292 0.000 1.217 374 G CA -0.395 44.478 45.100 -0.377 0.000 0.831 374 G HN 0.470 nan 8.290 nan 0.000 0.523 375 A N -1.211 121.604 122.820 -0.009 0.000 2.587 375 A HA 0.713 4.928 4.320 -0.175 0.000 0.293 375 A C -0.194 177.511 177.584 0.202 0.000 1.087 375 A CA -0.518 51.659 52.037 0.232 0.000 0.692 375 A CB 1.559 20.651 19.000 0.153 0.000 1.291 375 A HN 0.384 nan 8.150 nan 0.000 0.407 376 N N -0.883 117.901 118.700 0.140 0.000 2.463 376 N HA 0.222 4.857 4.740 -0.175 0.000 0.183 376 N C -0.780 174.385 175.510 -0.574 0.000 1.064 376 N CA 1.154 54.095 53.050 -0.181 0.000 0.879 376 N CB 0.101 38.525 38.487 -0.104 0.000 1.148 376 N HN 0.647 nan 8.380 nan 0.000 0.451 377 Y N -1.101 119.253 120.300 0.090 0.000 2.609 377 Y HA 0.576 5.021 4.550 -0.175 0.000 0.342 377 Y C -0.645 175.308 175.900 0.088 0.000 1.058 377 Y CA -1.175 56.969 58.100 0.075 0.000 1.055 377 Y CB 2.319 40.819 38.460 0.068 0.000 1.292 377 Y HN -0.330 nan 8.280 nan 0.000 0.476 378 V N 4.020 124.080 119.914 0.243 0.000 2.532 378 V HA 0.513 4.529 4.120 -0.175 0.000 0.294 378 V C -1.213 175.012 176.094 0.218 0.000 1.036 378 V CA -0.614 61.808 62.300 0.203 0.000 0.876 378 V CB 0.758 32.669 31.823 0.146 0.000 1.012 378 V HN 0.678 nan 8.190 nan 0.000 0.432 379 I N 7.756 128.443 120.570 0.195 0.000 2.379 379 I HA 0.405 4.471 4.170 -0.175 0.000 0.290 379 I C 0.971 177.168 176.117 0.133 0.000 1.063 379 I CA -0.155 61.230 61.300 0.142 0.000 1.351 379 I CB 0.606 38.659 38.000 0.088 0.000 1.410 379 I HN 0.542 nan 8.210 nan 0.000 0.505 380 R N 7.910 128.461 120.500 0.084 0.000 2.707 380 R HA 0.159 4.394 4.340 -0.175 0.000 0.270 380 R C -1.307 174.853 176.300 -0.233 0.000 1.083 380 R CA -1.300 54.728 56.100 -0.120 0.000 1.182 380 R CB 0.097 30.378 30.300 -0.031 0.000 1.084 380 R HN 0.407 nan 8.270 nan 0.000 0.528 381 P HA -0.130 nan 4.420 nan 0.000 0.225 381 P C -0.206 177.005 177.300 -0.148 0.000 1.148 381 P CA 1.179 64.121 63.100 -0.263 0.000 0.779 381 P CB 0.210 31.721 31.700 -0.315 0.000 0.780 382 D N -0.196 120.128 120.400 -0.127 0.000 2.178 382 D HA 0.009 4.544 4.640 -0.175 0.000 0.202 382 D C 1.795 178.072 176.300 -0.038 0.000 0.974 382 D CA 1.882 55.845 54.000 -0.061 0.000 0.841 382 D CB -0.707 40.074 40.800 -0.033 0.000 0.953 382 D HN 0.265 nan 8.370 nan 0.000 0.478 383 G N -0.086 108.694 108.800 -0.034 0.000 2.179 383 G HA2 -0.289 3.567 3.960 -0.175 0.000 0.220 383 G HA3 -0.289 3.567 3.960 -0.175 0.000 0.220 383 G C 0.366 175.268 174.900 0.004 0.000 0.990 383 G CA -0.093 44.998 45.100 -0.014 0.000 0.646 383 G HN 0.384 nan 8.290 nan 0.000 0.517 384 R N 0.523 121.032 120.500 0.014 0.000 2.410 384 R HA 0.629 4.865 4.340 -0.175 0.000 0.288 384 R C 0.361 176.699 176.300 0.062 0.000 1.051 384 R CA -0.645 55.477 56.100 0.036 0.000 1.021 384 R CB 0.499 30.824 30.300 0.041 0.000 1.032 384 R HN 0.240 nan 8.270 nan 0.000 0.481 385 R N 4.186 124.729 120.500 0.072 0.000 2.474 385 R HA 0.366 4.601 4.340 -0.175 0.000 0.295 385 R C -0.766 175.621 176.300 0.145 0.000 0.980 385 R CA -0.687 55.479 56.100 0.110 0.000 0.934 385 R CB 0.914 31.265 30.300 0.084 0.000 1.101 385 R HN 0.468 nan 8.270 nan 0.000 0.469 386 I N 3.060 123.741 120.570 0.185 0.000 2.389 386 I HA 0.203 4.269 4.170 -0.175 0.000 0.288 386 I C -0.284 175.917 176.117 0.141 0.000 0.999 386 I CA -0.727 60.666 61.300 0.155 0.000 1.129 386 I CB 1.448 39.528 38.000 0.133 0.000 1.288 386 I HN 0.548 nan 8.210 nan 0.000 0.444 387 D N 5.721 126.156 120.400 0.060 0.000 2.210 387 D HA 0.233 4.769 4.640 -0.175 0.000 0.249 387 D C 0.684 176.929 176.300 -0.091 0.000 1.078 387 D CA -0.386 53.533 54.000 -0.135 0.000 0.875 387 D CB 1.918 42.578 40.800 -0.234 0.000 1.175 387 D HN 0.230 nan 8.370 nan 0.000 0.440 388 L N 3.794 124.922 121.223 -0.158 0.000 2.477 388 L HA 0.064 4.299 4.340 -0.175 0.000 0.220 388 L C 2.231 179.099 176.870 -0.004 0.000 1.106 388 L CA 0.345 55.156 54.840 -0.048 0.000 0.851 388 L CB -0.561 41.471 42.059 -0.045 0.000 0.994 388 L HN 0.343 nan 8.230 nan 0.000 0.462 389 R N -0.493 119.987 120.500 -0.034 0.000 2.091 389 R HA -0.198 4.038 4.340 -0.175 0.000 0.238 389 R C 2.055 178.468 176.300 0.189 0.000 1.136 389 R CA 1.344 57.474 56.100 0.050 0.000 0.959 389 R CB -0.768 29.542 30.300 0.018 0.000 0.856 389 R HN 0.256 nan 8.270 nan 0.000 0.437 390 Y N 1.809 122.096 120.300 -0.022 0.000 2.084 390 Y HA -0.090 4.355 4.550 -0.175 0.000 0.279 390 Y C 1.526 177.424 175.900 -0.003 0.000 1.119 390 Y CA -0.168 57.928 58.100 -0.007 0.000 1.101 390 Y CB -1.151 37.310 38.460 0.002 0.000 0.989 390 Y HN -0.150 nan 8.280 nan 0.000 0.484 391 V N 1.256 121.274 119.914 0.173 0.000 2.970 391 V HA -0.234 3.781 4.120 -0.175 0.000 0.277 391 V C 0.032 176.152 176.094 0.042 0.000 1.486 391 V CA -0.569 61.781 62.300 0.083 0.000 1.480 391 V CB -0.397 31.462 31.823 0.060 0.000 0.866 391 V HN 0.254 nan 8.190 nan 0.000 0.512 392 K N 3.039 123.451 120.400 0.020 0.000 2.273 392 K HA 0.367 4.582 4.320 -0.175 0.000 0.287 392 K C -0.106 176.497 176.600 0.004 0.000 1.089 392 K CA 0.264 56.553 56.287 0.004 0.000 0.909 392 K CB 0.008 32.504 32.500 -0.006 0.000 1.123 392 K HN 1.063 nan 8.250 nan 0.000 0.473 393 D N 1.393 121.795 120.400 0.004 0.000 5.167 393 D HA -0.159 4.376 4.640 -0.175 0.000 0.237 393 D C 0.230 176.530 176.300 0.001 0.000 1.278 393 D CA 0.384 54.384 54.000 0.000 0.000 1.266 393 D CB 0.258 41.056 40.800 -0.004 0.000 0.704 393 D HN 0.562 nan 8.370 nan 0.000 0.350 394 R N 2.731 123.231 120.500 0.000 0.000 2.297 394 R HA 0.058 4.293 4.340 -0.175 0.000 0.197 394 R C 1.721 178.013 176.300 -0.013 0.000 0.943 394 R CA 0.443 56.542 56.100 -0.002 0.000 1.038 394 R CB 0.172 30.474 30.300 0.002 0.000 0.957 394 R HN 0.328 nan 8.270 nan 0.000 0.484 395 K N 0.354 120.744 120.400 -0.016 0.000 2.432 395 K HA -0.062 4.153 4.320 -0.175 0.000 0.196 395 K C 1.077 177.660 176.600 -0.029 0.000 1.038 395 K CA 0.630 56.903 56.287 -0.024 0.000 0.986 395 K CB 0.301 32.788 32.500 -0.022 0.000 0.782 395 K HN 0.228 nan 8.250 nan 0.000 0.485 396 E N 0.555 120.741 120.200 -0.024 0.000 2.031 396 E HA -0.161 4.084 4.350 -0.175 0.000 0.193 396 E C 1.305 177.879 176.600 -0.044 0.000 0.994 396 E CA 0.965 57.348 56.400 -0.027 0.000 0.800 396 E CB -0.008 29.681 29.700 -0.017 0.000 0.752 396 E HN 0.279 nan 8.360 nan 0.000 0.447 397 L N 0.904 122.096 121.223 -0.052 0.000 2.749 397 L HA -0.023 4.212 4.340 -0.175 0.000 0.245 397 L C 2.136 178.942 176.870 -0.107 0.000 1.156 397 L CA -0.205 54.581 54.840 -0.091 0.000 0.890 397 L CB -0.525 41.479 42.059 -0.092 0.000 1.036 397 L HN 0.137 nan 8.230 nan 0.000 0.441 398 A N 0.587 123.361 122.820 -0.077 0.000 1.902 398 A HA -0.179 4.036 4.320 -0.175 0.000 0.217 398 A C 2.323 179.856 177.584 -0.085 0.000 1.181 398 A CA 1.948 53.940 52.037 -0.075 0.000 0.623 398 A CB -0.374 18.592 19.000 -0.057 0.000 0.818 398 A HN 0.513 nan 8.150 nan 0.000 0.443 399 S N -1.647 114.007 115.700 -0.077 0.000 2.660 399 S HA 0.143 4.509 4.470 -0.175 0.000 0.227 399 S C 0.842 175.385 174.600 -0.096 0.000 0.948 399 S CA 0.638 58.795 58.200 -0.071 0.000 0.948 399 S CB -0.078 63.094 63.200 -0.046 0.000 0.779 399 S HN 0.425 nan 8.310 nan 0.000 0.487 400 T N 1.460 115.914 114.554 -0.165 0.000 2.990 400 T HA 0.354 4.599 4.350 -0.175 0.000 0.249 400 T C 0.475 174.860 174.700 -0.526 0.000 1.039 400 T CA -0.274 61.665 62.100 -0.268 0.000 1.036 400 T CB -0.044 68.648 68.868 -0.292 0.000 0.994 400 T HN 0.319 nan 8.240 nan 0.000 0.489 401 L N 2.246 123.209 121.223 -0.433 0.000 2.455 401 L HA 0.555 4.790 4.340 -0.175 0.000 0.272 401 L C 0.300 177.104 176.870 -0.110 0.000 1.174 401 L CA -0.403 54.206 54.840 -0.385 0.000 0.869 401 L CB 0.331 42.270 42.059 -0.199 0.000 1.130 401 L HN 0.247 nan 8.230 nan 0.000 0.474 402 A N 4.970 127.849 122.820 0.099 0.000 2.557 402 A HA 0.732 4.947 4.320 -0.175 0.000 0.292 402 A C -2.804 174.864 177.584 0.140 0.000 1.139 402 A CA -1.300 50.803 52.037 0.111 0.000 0.665 402 A CB 1.119 20.196 19.000 0.128 0.000 1.285 402 A HN 0.420 nan 8.150 nan 0.000 0.433 403 P HA 0.331 nan 4.420 nan 0.000 0.262 403 P C 1.004 178.317 177.300 0.022 0.000 1.182 403 P CA 2.283 65.384 63.100 0.003 0.000 0.761 403 P CB 0.591 32.263 31.700 -0.047 0.000 0.795 404 G N 1.820 110.619 108.800 -0.002 0.000 2.561 404 G HA2 -0.211 3.645 3.960 -0.175 0.000 0.203 404 G HA3 -0.211 3.645 3.960 -0.175 0.000 0.203 404 G C -0.266 174.579 174.900 -0.091 0.000 1.101 404 G CA -0.590 44.464 45.100 -0.076 0.000 0.711 404 G HN 0.422 nan 8.290 nan 0.000 0.511 405 Y N 0.504 120.802 120.300 -0.003 0.000 2.426 405 Y HA 0.447 4.892 4.550 -0.175 0.000 0.344 405 Y C 0.870 176.781 175.900 0.018 0.000 1.256 405 Y CA 0.552 58.660 58.100 0.012 0.000 1.451 405 Y CB 1.326 39.795 38.460 0.015 0.000 1.342 405 Y HN 0.120 nan 8.280 nan 0.000 0.600 406 V N 3.097 123.125 119.914 0.190 0.000 2.383 406 V HA 0.104 4.119 4.120 -0.175 0.000 0.261 406 V C -0.639 175.539 176.094 0.141 0.000 0.987 406 V CA -0.877 61.500 62.300 0.127 0.000 0.853 406 V CB 0.575 32.445 31.823 0.078 0.000 1.095 406 V HN 0.541 nan 8.190 nan 0.000 0.461 407 V N 3.218 123.220 119.914 0.146 0.000 2.555 407 V HA -0.070 3.945 4.120 -0.175 0.000 0.299 407 V C 1.134 177.312 176.094 0.141 0.000 1.012 407 V CA 0.711 63.098 62.300 0.146 0.000 1.180 407 V CB 0.074 31.982 31.823 0.141 0.000 0.887 407 V HN 0.778 nan 8.190 nan 0.000 0.476 408 E N 5.861 126.162 120.200 0.169 0.000 1.858 408 E HA 0.099 4.344 4.350 -0.175 0.000 0.267 408 E C 0.386 177.090 176.600 0.175 0.000 1.215 408 E CA -0.155 56.352 56.400 0.178 0.000 0.952 408 E CB 0.340 30.197 29.700 0.262 0.000 1.058 408 E HN 0.482 nan 8.360 nan 0.000 0.407 409 R N 3.072 123.640 120.500 0.113 0.000 2.404 409 R HA 0.138 4.374 4.340 -0.175 0.000 0.291 409 R C 0.102 176.451 176.300 0.081 0.000 1.025 409 R CA -0.473 55.664 56.100 0.062 0.000 0.991 409 R CB 0.709 30.984 30.300 -0.042 0.000 1.053 409 R HN 0.551 nan 8.270 nan 0.000 0.479 410 H N 2.083 121.085 119.070 -0.114 0.000 2.983 410 H HA -0.087 4.365 4.556 -0.175 0.000 0.361 410 H C 0.047 175.351 175.328 -0.039 0.000 1.145 410 H CA -0.227 55.805 56.048 -0.026 0.000 1.404 410 H CB 0.622 30.409 29.762 0.042 0.000 1.356 410 H HN 0.252 nan 8.280 nan 0.000 0.612 411 L N 2.614 123.951 121.223 0.190 0.000 2.562 411 L HA -0.041 4.195 4.340 -0.175 0.000 0.271 411 L C 0.892 177.931 176.870 0.282 0.000 1.167 411 L CA 0.695 55.635 54.840 0.166 0.000 0.917 411 L CB 0.090 42.231 42.059 0.137 0.000 1.187 411 L HN 0.642 nan 8.230 nan 0.000 0.482 412 T N -0.729 113.910 114.554 0.141 0.000 2.950 412 T HA 0.366 4.611 4.350 -0.175 0.000 0.288 412 T C -0.207 174.614 174.700 0.203 0.000 1.035 412 T CA -1.161 61.034 62.100 0.158 0.000 1.028 412 T CB 1.065 69.904 68.868 -0.049 0.000 1.109 412 T HN 0.330 nan 8.240 nan 0.000 0.514 413 D N 1.094 121.644 120.400 0.251 0.000 2.383 413 D HA 0.372 4.907 4.640 -0.175 0.000 0.275 413 D C 1.322 177.691 176.300 0.115 0.000 1.344 413 D CA 1.599 55.717 54.000 0.197 0.000 0.984 413 D CB 0.117 41.038 40.800 0.201 0.000 1.104 413 D HN 1.020 nan 8.370 nan 0.000 0.524 414 G N 2.946 111.799 108.800 0.088 0.000 3.033 414 G HA2 -0.192 3.664 3.960 -0.175 0.000 0.208 414 G HA3 -0.192 3.664 3.960 -0.175 0.000 0.208 414 G C 0.090 175.018 174.900 0.047 0.000 1.006 414 G CA -0.689 44.446 45.100 0.059 0.000 0.808 414 G HN 0.441 nan 8.290 nan 0.000 0.499 415 D N 0.998 121.428 120.400 0.049 0.000 2.525 415 D HA 0.359 4.894 4.640 -0.175 0.000 0.235 415 D C 0.650 176.966 176.300 0.028 0.000 1.137 415 D CA 0.475 54.496 54.000 0.035 0.000 0.868 415 D CB 1.650 42.468 40.800 0.031 0.000 1.180 415 D HN 0.130 nan 8.370 nan 0.000 0.465 416 V N 3.499 123.428 119.914 0.025 0.000 2.455 416 V HA 0.229 4.244 4.120 -0.175 0.000 0.273 416 V C 0.229 176.342 176.094 0.033 0.000 1.045 416 V CA -0.141 62.177 62.300 0.029 0.000 0.976 416 V CB 1.046 32.885 31.823 0.026 0.000 0.993 416 V HN 0.249 nan 8.190 nan 0.000 0.475 417 V N 6.262 126.207 119.914 0.052 0.000 2.709 417 V HA 0.426 4.441 4.120 -0.175 0.000 0.308 417 V C -0.502 175.665 176.094 0.122 0.000 1.062 417 V CA -0.834 61.505 62.300 0.065 0.000 0.901 417 V CB 2.140 33.978 31.823 0.024 0.000 1.003 417 V HN 0.586 nan 8.190 nan 0.000 0.425 418 L N 4.436 125.739 121.223 0.134 0.000 2.319 418 L HA 0.420 4.655 4.340 -0.175 0.000 0.280 418 L C -0.645 176.370 176.870 0.241 0.000 1.099 418 L CA 0.548 55.481 54.840 0.156 0.000 0.828 418 L CB 0.403 42.500 42.059 0.063 0.000 1.150 418 L HN 0.518 nan 8.230 nan 0.000 0.442 419 F N 4.680 124.667 119.950 0.062 0.000 2.427 419 F HA 0.420 4.843 4.527 -0.174 0.000 0.348 419 F C 0.026 175.799 175.800 -0.046 0.000 1.125 419 F CA -0.718 57.229 58.000 -0.088 0.000 0.989 419 F CB 0.948 39.784 39.000 -0.274 0.000 1.165 419 F HN 0.525 nan 8.300 nan 0.000 0.442 420 N N 5.565 124.054 118.700 -0.352 0.000 2.314 420 N HA 0.412 5.047 4.740 -0.175 0.000 0.294 420 N C -1.533 173.770 175.510 -0.345 0.000 1.029 420 N CA -0.566 52.361 53.050 -0.204 0.000 0.845 420 N CB 1.806 40.241 38.487 -0.086 0.000 1.321 420 N HN 0.733 nan 8.380 nan 0.000 0.481 421 R N 2.606 123.001 120.500 -0.175 0.000 2.599 421 R HA 0.267 4.503 4.340 -0.175 0.000 0.295 421 R C -0.871 175.428 176.300 -0.003 0.000 0.963 421 R CA -0.500 55.526 56.100 -0.124 0.000 0.883 421 R CB 1.395 31.629 30.300 -0.110 0.000 1.171 421 R HN 0.623 nan 8.270 nan 0.000 0.450 422 Q N 3.693 123.482 119.800 -0.019 0.000 2.266 422 Q HA 0.554 4.789 4.340 -0.175 0.000 0.261 422 Q C -2.428 173.572 176.000 -0.000 0.000 0.985 422 Q CA -2.323 53.482 55.803 0.003 0.000 0.873 422 Q CB 1.765 30.504 28.738 0.002 0.000 1.306 422 Q HN 0.388 nan 8.270 nan 0.000 0.447 423 P HA 0.140 nan 4.420 nan 0.000 0.279 423 P C -0.945 176.371 177.300 0.027 0.000 1.239 423 P CA -0.496 62.612 63.100 0.014 0.000 0.789 423 P CB 0.921 32.627 31.700 0.009 0.000 0.933 424 S N 2.258 117.975 115.700 0.028 0.000 2.955 424 S HA 0.140 4.505 4.470 -0.175 0.000 0.294 424 S C 1.156 175.778 174.600 0.037 0.000 1.198 424 S CA -0.366 57.857 58.200 0.038 0.000 1.008 424 S CB -0.513 62.705 63.200 0.030 0.000 1.279 424 S HN 0.278 nan 8.310 nan 0.000 0.508 425 L N 1.190 122.439 121.223 0.042 0.000 2.127 425 L HA 0.254 4.489 4.340 -0.175 0.000 0.203 425 L C 1.239 178.152 176.870 0.072 0.000 1.080 425 L CA 1.149 56.007 54.840 0.030 0.000 0.768 425 L CB -0.494 41.562 42.059 -0.005 0.000 0.924 425 L HN 0.582 nan 8.230 nan 0.000 0.444 426 H N -0.634 118.423 119.070 -0.022 0.000 2.615 426 H HA 0.270 4.721 4.556 -0.174 0.000 0.346 426 H C 0.848 176.154 175.328 -0.037 0.000 1.200 426 H CA -0.815 55.211 56.048 -0.037 0.000 1.264 426 H CB 1.484 31.213 29.762 -0.055 0.000 1.699 426 H HN -0.039 nan 8.280 nan 0.000 0.567 427 R N 1.247 121.736 120.500 -0.018 0.000 2.115 427 R HA -0.037 4.198 4.340 -0.175 0.000 0.226 427 R C 1.083 177.315 176.300 -0.112 0.000 1.100 427 R CA 1.021 57.080 56.100 -0.069 0.000 0.980 427 R CB -0.071 30.177 30.300 -0.086 0.000 0.875 427 R HN 0.440 nan 8.270 nan 0.000 0.445 428 I N 2.212 122.643 120.570 -0.231 0.000 2.800 428 I HA -0.155 3.910 4.170 -0.175 0.000 0.266 428 I C 1.018 177.013 176.117 -0.203 0.000 1.249 428 I CA 1.085 62.231 61.300 -0.257 0.000 1.458 428 I CB -1.079 36.704 38.000 -0.363 0.000 1.093 428 I HN 0.161 nan 8.210 nan 0.000 0.466 429 S N 0.361 116.029 115.700 -0.054 0.000 2.723 429 S HA 0.075 4.440 4.470 -0.175 0.000 0.231 429 S C 0.883 175.607 174.600 0.207 0.000 0.967 429 S CA 0.351 58.606 58.200 0.092 0.000 0.958 429 S CB -0.415 62.850 63.200 0.107 0.000 0.778 429 S HN 0.448 nan 8.310 nan 0.000 0.537 430 M N 1.393 121.076 119.600 0.140 0.000 2.295 430 M HA 0.347 4.723 4.480 -0.175 0.000 0.219 430 M C -1.785 174.607 176.300 0.153 0.000 0.981 430 M CA 0.016 55.432 55.300 0.194 0.000 1.019 430 M CB 0.729 33.362 32.600 0.055 0.000 2.528 430 M HN 0.085 nan 8.290 nan 0.000 0.445 431 M N 2.034 121.808 119.600 0.290 0.000 2.811 431 M HA 0.850 5.226 4.480 -0.175 0.000 0.303 431 M C 0.172 176.606 176.300 0.223 0.000 1.227 431 M CA -0.782 54.615 55.300 0.161 0.000 0.874 431 M CB 1.826 34.464 32.600 0.064 0.000 1.681 431 M HN 0.606 nan 8.290 nan 0.000 0.500 432 A N -0.014 122.857 122.820 0.085 0.000 2.286 432 A HA 0.631 4.846 4.320 -0.175 0.000 0.286 432 A C -0.838 176.746 177.584 0.001 0.000 1.097 432 A CA -0.251 51.836 52.037 0.084 0.000 0.821 432 A CB 0.366 19.385 19.000 0.032 0.000 1.076 432 A HN 0.807 nan 8.150 nan 0.000 0.490 433 H N 0.521 119.600 119.070 0.014 0.000 3.012 433 H HA 0.359 4.810 4.556 -0.175 0.000 0.367 433 H C -0.777 174.519 175.328 -0.054 0.000 1.211 433 H CA -0.792 55.230 56.048 -0.043 0.000 1.139 433 H CB 1.672 31.332 29.762 -0.171 0.000 1.838 433 H HN 0.619 nan 8.280 nan 0.000 0.550 434 R N 1.633 122.170 120.500 0.062 0.000 2.265 434 R HA 0.244 4.479 4.340 -0.175 0.000 0.319 434 R C -0.420 175.889 176.300 0.014 0.000 1.006 434 R CA -0.892 55.227 56.100 0.032 0.000 0.880 434 R CB 1.234 31.545 30.300 0.019 0.000 1.077 434 R HN 0.217 nan 8.270 nan 0.000 0.454 435 V N 4.393 124.313 119.914 0.010 0.000 2.479 435 V HA 0.066 4.082 4.120 -0.175 0.000 0.281 435 V C 0.776 176.884 176.094 0.023 0.000 1.031 435 V CA 0.019 62.316 62.300 -0.006 0.000 1.038 435 V CB 0.403 32.236 31.823 0.018 0.000 0.981 435 V HN 0.512 nan 8.190 nan 0.000 0.478 436 R N 4.959 125.456 120.500 -0.004 0.000 2.312 436 R HA 0.457 4.693 4.340 -0.175 0.000 0.310 436 R C -1.199 175.091 176.300 -0.016 0.000 1.064 436 R CA -0.343 55.769 56.100 0.020 0.000 0.983 436 R CB 1.113 31.418 30.300 0.008 0.000 1.139 436 R HN 0.497 nan 8.270 nan 0.000 0.536 437 V N 6.805 126.711 119.914 -0.014 0.000 2.521 437 V HA 0.274 4.289 4.120 -0.175 0.000 0.286 437 V C 0.322 176.269 176.094 -0.244 0.000 1.034 437 V CA 0.034 62.206 62.300 -0.213 0.000 1.045 437 V CB 0.243 31.766 31.823 -0.499 0.000 0.974 437 V HN 0.733 nan 8.190 nan 0.000 0.480 438 L N 1.874 122.964 121.223 -0.222 0.000 2.540 438 L HA 0.633 4.868 4.340 -0.175 0.000 0.256 438 L C -0.504 176.282 176.870 -0.141 0.000 1.001 438 L CA -1.268 53.479 54.840 -0.155 0.000 0.843 438 L CB 2.109 44.126 42.059 -0.071 0.000 1.436 438 L HN 0.396 nan 8.230 nan 0.000 0.410 439 K N 1.103 121.441 120.400 -0.104 0.000 2.437 439 K HA 0.485 4.700 4.320 -0.175 0.000 0.277 439 K C 0.088 176.649 176.600 -0.065 0.000 1.073 439 K CA 1.465 57.704 56.287 -0.080 0.000 1.105 439 K CB -0.188 32.283 32.500 -0.048 0.000 0.881 439 K HN 0.996 nan 8.250 nan 0.000 0.475 440 G N 2.364 111.123 108.800 -0.069 0.000 2.361 440 G HA2 -0.023 3.832 3.960 -0.175 0.000 0.331 440 G HA3 -0.023 3.832 3.960 -0.175 0.000 0.331 440 G C -0.508 174.350 174.900 -0.069 0.000 1.324 440 G CA -0.926 44.138 45.100 -0.060 0.000 0.984 440 G HN 0.492 nan 8.290 nan 0.000 0.586 441 L N 0.864 122.042 121.223 -0.075 0.000 3.014 441 L HA 0.346 4.581 4.340 -0.175 0.000 0.263 441 L C 0.911 177.688 176.870 -0.155 0.000 1.207 441 L CA 0.348 55.127 54.840 -0.101 0.000 1.017 441 L CB 0.388 42.390 42.059 -0.094 0.000 1.360 441 L HN 0.787 nan 8.230 nan 0.000 0.560 442 T N -3.704 110.776 114.554 -0.124 0.000 2.908 442 T HA 0.577 4.822 4.350 -0.175 0.000 0.290 442 T C -0.375 174.312 174.700 -0.021 0.000 1.034 442 T CA -0.589 61.420 62.100 -0.152 0.000 1.010 442 T CB 1.882 70.712 68.868 -0.062 0.000 1.068 442 T HN -0.230 nan 8.240 nan 0.000 0.481 443 F N 1.911 121.896 119.950 0.058 0.000 2.443 443 F HA 0.459 4.882 4.527 -0.175 0.000 0.353 443 F C 1.129 176.966 175.800 0.062 0.000 1.101 443 F CA -1.176 56.877 58.000 0.088 0.000 1.226 443 F CB 0.404 39.593 39.000 0.315 0.000 1.140 443 F HN 0.277 nan 8.300 nan 0.000 0.557 444 R N 3.701 124.302 120.500 0.168 0.000 2.255 444 R HA 0.475 4.711 4.340 -0.175 0.000 0.326 444 R C -1.191 175.125 176.300 0.027 0.000 0.986 444 R CA -0.947 55.192 56.100 0.064 0.000 0.847 444 R CB 1.325 31.626 30.300 0.002 0.000 1.111 444 R HN 0.558 nan 8.270 nan 0.000 0.452 445 L N 3.156 124.461 121.223 0.137 0.000 2.298 445 L HA 0.327 4.563 4.340 -0.175 0.000 0.284 445 L C 0.167 177.152 176.870 0.192 0.000 1.013 445 L CA -0.338 54.618 54.840 0.194 0.000 0.824 445 L CB 1.147 43.438 42.059 0.387 0.000 1.221 445 L HN 0.508 nan 8.230 nan 0.000 0.418 446 N N 4.013 122.801 118.700 0.147 0.000 2.356 446 N HA -0.077 4.558 4.740 -0.175 0.000 0.252 446 N C 0.976 176.586 175.510 0.167 0.000 1.241 446 N CA 0.418 53.539 53.050 0.119 0.000 0.861 446 N CB 0.774 39.306 38.487 0.075 0.000 1.075 446 N HN 0.813 nan 8.380 nan 0.000 0.461 447 L N 3.740 125.060 121.223 0.162 0.000 2.275 447 L HA -0.140 4.095 4.340 -0.175 0.000 0.215 447 L C 2.094 179.035 176.870 0.120 0.000 1.119 447 L CA 0.748 55.725 54.840 0.229 0.000 0.790 447 L CB -0.080 42.162 42.059 0.305 0.000 0.919 447 L HN 0.605 nan 8.230 nan 0.000 0.443 448 L N -1.221 119.977 121.223 -0.043 0.000 2.291 448 L HA -0.059 4.176 4.340 -0.175 0.000 0.214 448 L C 1.161 177.985 176.870 -0.076 0.000 1.120 448 L CA 0.263 54.984 54.840 -0.198 0.000 0.799 448 L CB -0.250 41.557 42.059 -0.420 0.000 0.925 448 L HN 0.030 nan 8.230 nan 0.000 0.446 449 V N -1.590 118.348 119.914 0.041 0.000 3.021 449 V HA 0.047 4.062 4.120 -0.175 0.000 0.385 449 V C 1.125 177.356 176.094 0.228 0.000 1.303 449 V CA -0.028 62.338 62.300 0.111 0.000 1.471 449 V CB -0.384 31.559 31.823 0.201 0.000 1.419 449 V HN 0.411 nan 8.190 nan 0.000 0.551 450 C N 0.401 119.793 119.300 0.153 0.000 2.469 450 C HA 0.143 4.498 4.460 -0.175 0.000 0.309 450 C C 0.377 175.424 174.990 0.096 0.000 1.385 450 C CA 0.641 59.759 59.018 0.166 0.000 1.890 450 C CB -0.511 27.299 27.740 0.117 0.000 2.245 450 C HN 0.479 nan 8.230 nan 0.000 0.530 451 P HA -0.094 nan 4.420 nan 0.000 0.217 451 P C -1.656 175.628 177.300 -0.028 0.000 1.148 451 P CA 2.128 65.227 63.100 -0.003 0.000 0.828 451 P CB -1.081 30.606 31.700 -0.022 0.000 0.783 452 P HA -0.141 nan 4.420 nan 0.000 0.216 452 P C 0.908 178.069 177.300 -0.232 0.000 1.153 452 P CA 1.452 64.420 63.100 -0.220 0.000 0.848 452 P CB -0.490 30.945 31.700 -0.441 0.000 0.787 453 Y N -2.391 117.927 120.300 0.030 0.000 2.457 453 Y HA 0.217 4.662 4.550 -0.175 0.000 0.263 453 Y C 0.603 176.490 175.900 -0.021 0.000 1.164 453 Y CA -0.513 57.593 58.100 0.010 0.000 1.274 453 Y CB -1.077 37.391 38.460 0.013 0.000 1.097 453 Y HN -0.104 nan 8.280 nan 0.000 0.523 454 N N 1.267 120.021 118.700 0.091 0.000 2.650 454 N HA -0.202 4.433 4.740 -0.175 0.000 0.272 454 N C -0.992 174.508 175.510 -0.017 0.000 1.058 454 N CA 0.688 53.753 53.050 0.025 0.000 0.765 454 N CB -0.820 37.672 38.487 0.009 0.000 0.902 454 N HN 0.382 nan 8.380 nan 0.000 0.551 455 A N 1.927 124.709 122.820 -0.064 0.000 2.311 455 A HA 0.543 4.758 4.320 -0.175 0.000 0.306 455 A C -0.215 177.128 177.584 -0.402 0.000 1.189 455 A CA -0.379 51.532 52.037 -0.211 0.000 0.791 455 A CB 0.748 19.615 19.000 -0.222 0.000 1.172 455 A HN 0.612 nan 8.150 nan 0.000 0.481 456 D N -0.028 120.163 120.400 -0.348 0.000 2.387 456 D HA 0.499 5.035 4.640 -0.175 0.000 0.251 456 D C -0.831 175.133 176.300 -0.561 0.000 1.141 456 D CA -0.364 53.426 54.000 -0.351 0.000 0.987 456 D CB 0.355 41.075 40.800 -0.135 0.000 1.116 456 D HN 0.241 nan 8.370 nan 0.000 0.491 457 F N 0.138 120.099 119.950 0.018 0.000 2.371 457 F HA 0.248 4.670 4.527 -0.174 0.000 0.343 457 F C -0.130 175.670 175.800 0.001 0.000 1.150 457 F CA -0.737 57.271 58.000 0.013 0.000 1.220 457 F CB 0.556 39.567 39.000 0.018 0.000 1.475 457 F HN 0.401 nan 8.300 nan 0.000 0.521 458 D N -0.961 119.485 120.400 0.077 0.000 2.602 458 D HA 0.302 4.837 4.640 -0.175 0.000 0.265 458 D C 1.002 177.314 176.300 0.021 0.000 1.454 458 D CA -0.080 53.948 54.000 0.047 0.000 0.795 458 D CB 0.491 41.301 40.800 0.017 0.000 1.140 458 D HN 0.426 nan 8.370 nan 0.000 0.486 459 G N 0.358 109.171 108.800 0.023 0.000 2.245 459 G HA2 -0.097 3.758 3.960 -0.175 0.000 0.116 459 G HA3 -0.097 3.758 3.960 -0.175 0.000 0.116 459 G C -0.974 173.916 174.900 -0.016 0.000 1.054 459 G CA -0.660 44.441 45.100 0.001 0.000 0.728 459 G HN 0.210 nan 8.290 nan 0.000 0.483 460 D N 0.739 121.129 120.400 -0.017 0.000 2.253 460 D HA 0.610 5.145 4.640 -0.175 0.000 0.249 460 D C 0.434 176.714 176.300 -0.033 0.000 1.049 460 D CA 0.218 54.193 54.000 -0.043 0.000 0.929 460 D CB 1.113 41.861 40.800 -0.087 0.000 1.176 460 D HN 0.434 nan 8.370 nan 0.000 0.437 461 E N 0.818 120.990 120.200 -0.048 0.000 2.272 461 E HA 0.508 4.753 4.350 -0.175 0.000 0.269 461 E C -0.557 176.007 176.600 -0.061 0.000 0.877 461 E CA -0.667 55.703 56.400 -0.050 0.000 0.755 461 E CB 2.421 32.087 29.700 -0.056 0.000 1.192 461 E HN 0.260 nan 8.360 nan 0.000 0.422 462 M N 1.541 121.117 119.600 -0.041 0.000 2.644 462 M HA 0.413 4.789 4.480 -0.175 0.000 0.304 462 M C -0.844 175.417 176.300 -0.064 0.000 1.215 462 M CA -1.086 54.114 55.300 -0.168 0.000 0.871 462 M CB 1.875 34.218 32.600 -0.429 0.000 1.740 462 M HN 0.346 nan 8.290 nan 0.000 0.464 463 N N 1.624 120.196 118.700 -0.214 0.000 2.487 463 N HA 0.512 5.147 4.740 -0.175 0.000 0.292 463 N C -1.492 173.952 175.510 -0.110 0.000 1.108 463 N CA -0.453 52.574 53.050 -0.039 0.000 0.956 463 N CB 1.359 39.904 38.487 0.097 0.000 1.176 463 N HN 0.406 nan 8.380 nan 0.000 0.484 464 L N 3.015 124.269 121.223 0.052 0.000 2.462 464 L HA 0.282 4.517 4.340 -0.175 0.000 0.255 464 L C -0.807 176.131 176.870 0.113 0.000 1.076 464 L CA -0.314 54.542 54.840 0.027 0.000 0.920 464 L CB -0.412 41.503 42.059 -0.240 0.000 1.214 464 L HN 0.634 nan 8.230 nan 0.000 0.472 465 H N 2.428 121.520 119.070 0.036 0.000 2.511 465 H HA 0.420 4.871 4.556 -0.175 0.000 0.346 465 H C -0.544 174.819 175.328 0.058 0.000 1.128 465 H CA -0.611 55.475 56.048 0.064 0.000 1.342 465 H CB 2.554 32.349 29.762 0.056 0.000 1.470 465 H HN 0.213 nan 8.280 nan 0.000 0.546 466 V N 5.540 125.557 119.914 0.171 0.000 2.284 466 V HA 0.140 4.155 4.120 -0.175 0.000 0.274 466 V C -2.055 174.028 176.094 -0.019 0.000 1.023 466 V CA -1.724 60.611 62.300 0.058 0.000 0.808 466 V CB 0.994 32.828 31.823 0.018 0.000 1.035 466 V HN 0.639 nan 8.190 nan 0.000 0.445 467 P HA 0.123 nan 4.420 nan 0.000 0.265 467 P C -0.090 177.130 177.300 -0.133 0.000 1.193 467 P CA 0.128 63.204 63.100 -0.040 0.000 0.765 467 P CB 1.299 32.995 31.700 -0.007 0.000 0.823 468 Q N 0.997 120.697 119.800 -0.167 0.000 2.389 468 Q HA 0.041 4.276 4.340 -0.175 0.000 0.201 468 Q C 0.923 176.858 176.000 -0.109 0.000 0.956 468 Q CA 0.750 56.419 55.803 -0.224 0.000 0.871 468 Q CB -0.921 27.629 28.738 -0.315 0.000 0.990 468 Q HN 0.646 nan 8.270 nan 0.000 0.554 469 S N 2.010 117.673 115.700 -0.063 0.000 2.573 469 S HA 0.012 4.378 4.470 -0.175 0.000 0.277 469 S C 1.112 175.700 174.600 -0.019 0.000 1.346 469 S CA -0.318 57.863 58.200 -0.030 0.000 1.034 469 S CB 0.843 64.035 63.200 -0.014 0.000 0.879 469 S HN 0.146 nan 8.310 nan 0.000 0.528 470 E N 2.322 122.518 120.200 -0.006 0.000 2.077 470 E HA -0.200 4.045 4.350 -0.175 0.000 0.193 470 E C 1.695 178.299 176.600 0.007 0.000 0.989 470 E CA 1.458 57.862 56.400 0.006 0.000 0.800 470 E CB -0.473 29.237 29.700 0.018 0.000 0.746 470 E HN 0.877 nan 8.360 nan 0.000 0.452 471 E N 1.165 121.368 120.200 0.005 0.000 2.051 471 E HA -0.127 4.118 4.350 -0.175 0.000 0.192 471 E C 2.167 178.768 176.600 0.001 0.000 0.991 471 E CA 1.081 57.484 56.400 0.004 0.000 0.799 471 E CB -0.165 29.537 29.700 0.004 0.000 0.748 471 E HN 0.270 nan 8.360 nan 0.000 0.449 472 A N 1.244 124.062 122.820 -0.003 0.000 1.902 472 A HA -0.183 4.032 4.320 -0.175 0.000 0.217 472 A C 2.186 179.768 177.584 -0.003 0.000 1.181 472 A CA 1.158 53.193 52.037 -0.004 0.000 0.623 472 A CB -0.624 18.372 19.000 -0.006 0.000 0.818 472 A HN 0.136 nan 8.150 nan 0.000 0.443 473 I N -0.334 120.233 120.570 -0.006 0.000 2.179 473 I HA -0.281 3.785 4.170 -0.175 0.000 0.242 473 I C 2.960 179.080 176.117 0.006 0.000 1.088 473 I CA 1.177 62.477 61.300 -0.001 0.000 1.357 473 I CB -0.309 37.689 38.000 -0.004 0.000 1.051 473 I HN 0.355 nan 8.210 nan 0.000 0.409 474 A N -0.106 122.718 122.820 0.007 0.000 1.930 474 A HA -0.235 3.980 4.320 -0.175 0.000 0.217 474 A C 2.294 179.880 177.584 0.004 0.000 1.175 474 A CA 1.642 53.684 52.037 0.009 0.000 0.627 474 A CB -0.571 18.436 19.000 0.012 0.000 0.815 474 A HN 0.479 nan 8.150 nan 0.000 0.443 475 E N -0.313 119.888 120.200 0.001 0.000 2.204 475 E HA -0.057 4.189 4.350 -0.175 0.000 0.194 475 E C 1.895 178.491 176.600 -0.008 0.000 0.989 475 E CA 0.787 57.184 56.400 -0.005 0.000 0.824 475 E CB -0.142 29.553 29.700 -0.007 0.000 0.756 475 E HN 0.570 nan 8.360 nan 0.000 0.477 476 A N 0.710 123.529 122.820 -0.002 0.000 2.072 476 A HA -0.033 4.183 4.320 -0.175 0.000 0.216 476 A C 1.960 179.546 177.584 0.002 0.000 1.156 476 A CA 0.611 52.647 52.037 -0.001 0.000 0.701 476 A CB -0.126 18.878 19.000 0.007 0.000 0.816 476 A HN 0.068 nan 8.150 nan 0.000 0.458 477 K N -0.362 120.042 120.400 0.008 0.000 2.148 477 K HA -0.169 4.047 4.320 -0.175 0.000 0.204 477 K C 1.835 178.443 176.600 0.014 0.000 1.050 477 K CA 1.585 57.882 56.287 0.017 0.000 0.942 477 K CB 0.006 32.519 32.500 0.021 0.000 0.724 477 K HN 0.359 nan 8.250 nan 0.000 0.446 478 E N 0.240 120.441 120.200 0.001 0.000 2.230 478 E HA 0.001 4.247 4.350 -0.175 0.000 0.192 478 E C 1.379 177.959 176.600 -0.033 0.000 0.987 478 E CA 0.832 57.226 56.400 -0.010 0.000 0.841 478 E CB 0.256 29.948 29.700 -0.012 0.000 0.783 478 E HN 0.374 nan 8.360 nan 0.000 0.481 479 I N -1.208 119.340 120.570 -0.036 0.000 4.035 479 I HA 0.135 4.200 4.170 -0.175 0.000 0.321 479 I C 1.618 177.699 176.117 -0.059 0.000 1.289 479 I CA 0.290 61.559 61.300 -0.051 0.000 1.236 479 I CB 0.282 38.253 38.000 -0.048 0.000 1.076 479 I HN -0.000 nan 8.210 nan 0.000 0.418 480 M N 0.039 119.611 119.600 -0.047 0.000 2.279 480 M HA 0.285 4.661 4.480 -0.175 0.000 0.306 480 M C 0.491 176.761 176.300 -0.050 0.000 0.965 480 M CA -0.118 55.155 55.300 -0.044 0.000 1.038 480 M CB 1.203 33.792 32.600 -0.018 0.000 1.636 480 M HN 0.046 nan 8.290 nan 0.000 0.574 481 L N 0.130 121.326 121.223 -0.047 0.000 2.473 481 L HA -0.056 4.180 4.340 -0.175 0.000 0.280 481 L C 1.542 178.357 176.870 -0.091 0.000 1.266 481 L CA -0.209 54.610 54.840 -0.035 0.000 0.824 481 L CB 0.597 42.704 42.059 0.081 0.000 1.091 481 L HN -0.001 nan 8.230 nan 0.000 0.534 482 V N 0.152 120.007 119.914 -0.098 0.000 2.302 482 V HA -0.229 3.787 4.120 -0.175 0.000 0.243 482 V C 2.336 178.381 176.094 -0.081 0.000 1.036 482 V CA 1.710 63.930 62.300 -0.134 0.000 1.020 482 V CB -1.037 30.666 31.823 -0.201 0.000 0.657 482 V HN 0.956 nan 8.190 nan 0.000 0.453 483 H N 0.983 119.995 119.070 -0.096 0.000 2.518 483 H HA -0.125 4.326 4.556 -0.175 0.000 0.289 483 H C 1.836 177.136 175.328 -0.045 0.000 1.051 483 H CA 1.723 57.733 56.048 -0.064 0.000 1.280 483 H CB -0.118 29.622 29.762 -0.037 0.000 1.380 483 H HN 0.396 nan 8.280 nan 0.000 0.566 484 K N 0.306 120.320 120.400 -0.644 0.000 2.393 484 K HA 0.070 4.286 4.320 -0.175 0.000 0.193 484 K C 0.388 176.847 176.600 -0.235 0.000 1.026 484 K CA -0.030 55.941 56.287 -0.528 0.000 1.064 484 K CB 0.403 32.589 32.500 -0.523 0.000 0.833 484 K HN 0.298 nan 8.250 nan 0.000 0.521 485 N N 0.784 119.369 118.700 -0.192 0.000 2.416 485 N HA 0.130 4.766 4.740 -0.175 0.000 0.267 485 N C 0.636 176.050 175.510 -0.161 0.000 1.294 485 N CA 0.065 53.022 53.050 -0.154 0.000 0.891 485 N CB 0.713 39.104 38.487 -0.161 0.000 1.238 485 N HN 0.096 nan 8.380 nan 0.000 0.508 486 I N 0.882 121.368 120.570 -0.139 0.000 2.252 486 I HA -0.081 3.984 4.170 -0.175 0.000 0.245 486 I C 1.184 177.191 176.117 -0.183 0.000 1.102 486 I CA 0.939 62.152 61.300 -0.145 0.000 1.385 486 I CB 0.034 37.968 38.000 -0.110 0.000 1.064 486 I HN 0.157 nan 8.210 nan 0.000 0.414 487 I N -0.448 120.019 120.570 -0.171 0.000 2.474 487 I HA 0.216 4.281 4.170 -0.175 0.000 0.287 487 I C 0.453 176.407 176.117 -0.273 0.000 1.048 487 I CA -0.328 60.828 61.300 -0.240 0.000 1.383 487 I CB 0.945 38.845 38.000 -0.166 0.000 1.412 487 I HN -0.058 nan 8.210 nan 0.000 0.531 488 T N 4.055 118.366 114.554 -0.406 0.000 2.837 488 T HA 0.436 4.681 4.350 -0.175 0.000 0.285 488 T C -1.793 172.631 174.700 -0.460 0.000 0.984 488 T CA -1.911 59.917 62.100 -0.454 0.000 1.049 488 T CB 1.667 70.212 68.868 -0.538 0.000 0.947 488 T HN 0.495 nan 8.240 nan 0.000 0.472 489 P HA 0.013 nan 4.420 nan 0.000 0.223 489 P C 1.494 178.624 177.300 -0.282 0.000 1.151 489 P CA 0.427 63.321 63.100 -0.345 0.000 0.787 489 P CB 0.098 31.675 31.700 -0.206 0.000 0.788 490 R N -0.325 120.099 120.500 -0.125 0.000 2.115 490 R HA -0.077 4.158 4.340 -0.175 0.000 0.230 490 R C 0.049 176.379 176.300 0.050 0.000 1.111 490 R CA 1.203 57.320 56.100 0.029 0.000 0.976 490 R CB 0.005 30.424 30.300 0.197 0.000 0.870 490 R HN 0.268 nan 8.270 nan 0.000 0.445 491 Y N -4.639 115.594 120.300 -0.113 0.000 2.558 491 Y HA 0.476 4.922 4.550 -0.174 0.000 0.333 491 Y C -0.364 175.378 175.900 -0.264 0.000 1.125 491 Y CA -1.236 56.776 58.100 -0.147 0.000 1.039 491 Y CB 0.608 39.030 38.460 -0.063 0.000 1.331 491 Y HN -0.052 nan 8.280 nan 0.000 0.456 492 G N 1.115 109.711 108.800 -0.340 0.000 2.734 492 G HA2 0.461 4.316 3.960 -0.175 0.000 0.287 492 G HA3 0.461 4.316 3.960 -0.175 0.000 0.287 492 G C -0.087 174.515 174.900 -0.496 0.000 0.728 492 G CA 0.351 45.210 45.100 -0.402 0.000 1.999 492 G HN 1.252 nan 8.290 nan 0.000 0.535 493 G N 2.187 110.626 108.800 -0.601 0.000 2.698 493 G HA2 0.691 4.547 3.960 -0.175 0.000 0.293 493 G HA3 0.691 4.547 3.960 -0.175 0.000 0.293 493 G C -3.352 171.229 174.900 -0.531 0.000 1.437 493 G CA -1.118 43.637 45.100 -0.575 0.000 0.852 493 G HN 0.148 nan 8.290 nan 0.000 0.499 494 P HA 0.279 nan 4.420 nan 0.000 0.287 494 P C 0.604 177.793 177.300 -0.185 0.000 1.294 494 P CA -0.379 62.541 63.100 -0.300 0.000 0.776 494 P CB 2.028 33.581 31.700 -0.244 0.000 0.889 495 I N 3.359 123.820 120.570 -0.181 0.000 3.059 495 I HA 0.091 4.156 4.170 -0.175 0.000 0.270 495 I C 0.575 176.622 176.117 -0.116 0.000 1.238 495 I CA 0.210 61.441 61.300 -0.115 0.000 1.478 495 I CB 0.286 38.217 38.000 -0.115 0.000 1.097 495 I HN 0.224 nan 8.210 nan 0.000 0.455 496 I N 1.346 121.828 120.570 -0.147 0.000 2.297 496 I HA 0.426 4.491 4.170 -0.175 0.000 0.291 496 I C 0.441 176.438 176.117 -0.201 0.000 1.033 496 I CA -0.227 60.978 61.300 -0.159 0.000 1.253 496 I CB 0.859 38.764 38.000 -0.159 0.000 1.396 496 I HN 0.075 nan 8.210 nan 0.000 0.476 497 G N 3.978 112.646 108.800 -0.220 0.000 2.749 497 G HA2 0.701 4.556 3.960 -0.175 0.000 0.300 497 G HA3 0.701 4.556 3.960 -0.175 0.000 0.300 497 G C -1.545 173.151 174.900 -0.340 0.000 1.352 497 G CA -0.681 44.255 45.100 -0.274 0.000 0.789 497 G HN 0.648 nan 8.290 nan 0.000 0.509 498 A N -0.463 122.174 122.820 -0.306 0.000 2.409 498 A HA 0.668 4.883 4.320 -0.175 0.000 0.262 498 A C 1.235 178.823 177.584 0.006 0.000 1.113 498 A CA 0.854 52.748 52.037 -0.238 0.000 0.790 498 A CB 0.637 19.615 19.000 -0.037 0.000 1.046 498 A HN 1.817 nan 8.150 nan 0.000 0.496 499 A N 1.873 124.793 122.820 0.167 0.000 1.838 499 A HA 0.107 4.322 4.320 -0.175 0.000 0.215 499 A C 1.739 179.404 177.584 0.135 0.000 1.273 499 A CA 1.589 53.721 52.037 0.159 0.000 0.602 499 A CB -0.357 18.766 19.000 0.206 0.000 0.934 499 A HN 0.977 nan 8.150 nan 0.000 0.461 500 Q N -3.441 116.448 119.800 0.149 0.000 2.452 500 Q HA 0.081 4.316 4.340 -0.175 0.000 0.190 500 Q C 0.857 176.853 176.000 -0.008 0.000 0.710 500 Q CA 0.470 56.308 55.803 0.059 0.000 0.917 500 Q CB -0.152 28.617 28.738 0.051 0.000 1.282 500 Q HN 0.282 nan 8.270 nan 0.000 0.447 501 D N 0.771 121.126 120.400 -0.074 0.000 2.178 501 D HA -0.044 4.492 4.640 -0.175 0.000 0.202 501 D C 1.350 177.546 176.300 -0.172 0.000 0.974 501 D CA 1.198 55.087 54.000 -0.184 0.000 0.841 501 D CB -0.032 40.609 40.800 -0.266 0.000 0.953 501 D HN 0.277 nan 8.370 nan 0.000 0.478 502 Y N 0.643 120.972 120.300 0.048 0.000 2.084 502 Y HA -0.110 4.335 4.550 -0.175 0.000 0.279 502 Y C 2.456 178.326 175.900 -0.051 0.000 1.119 502 Y CA 0.401 58.570 58.100 0.114 0.000 1.101 502 Y CB -0.617 37.985 38.460 0.236 0.000 0.989 502 Y HN -0.110 nan 8.280 nan 0.000 0.484 503 I N -0.326 120.328 120.570 0.141 0.000 2.147 503 I HA -0.435 3.631 4.170 -0.175 0.000 0.245 503 I C 2.571 178.651 176.117 -0.062 0.000 1.059 503 I CA 2.218 63.522 61.300 0.005 0.000 1.320 503 I CB -1.532 36.474 38.000 0.010 0.000 1.021 503 I HN 0.281 nan 8.210 nan 0.000 0.415 504 S N 0.429 116.057 115.700 -0.120 0.000 2.355 504 S HA -0.082 4.283 4.470 -0.175 0.000 0.222 504 S C 2.072 176.563 174.600 -0.182 0.000 1.031 504 S CA 1.520 59.566 58.200 -0.257 0.000 0.993 504 S CB -0.502 62.348 63.200 -0.583 0.000 0.859 504 S HN 0.568 nan 8.310 nan 0.000 0.453 505 G N 0.310 109.030 108.800 -0.134 0.000 2.421 505 G HA2 0.090 3.946 3.960 -0.175 0.000 0.217 505 G HA3 0.090 3.946 3.960 -0.175 0.000 0.217 505 G C 1.550 176.459 174.900 0.015 0.000 1.143 505 G CA 0.738 45.858 45.100 0.033 0.000 0.784 505 G HN 0.633 nan 8.290 nan 0.000 0.541 506 A N -0.247 122.357 122.820 -0.361 0.000 2.067 506 A HA 0.067 4.283 4.320 -0.175 0.000 0.219 506 A C 2.052 179.527 177.584 -0.180 0.000 1.158 506 A CA 1.397 52.999 52.037 -0.724 0.000 0.661 506 A CB -0.457 17.546 19.000 -1.661 0.000 0.801 506 A HN 0.507 nan 8.150 nan 0.000 0.452 507 Y N 0.244 120.462 120.300 -0.138 0.000 2.206 507 Y HA 0.000 4.446 4.550 -0.174 0.000 0.292 507 Y C 1.753 177.676 175.900 0.037 0.000 1.123 507 Y CA 1.519 59.602 58.100 -0.028 0.000 1.142 507 Y CB -0.213 38.233 38.460 -0.023 0.000 1.006 507 Y HN 0.172 nan 8.280 nan 0.000 0.518 508 L N -0.263 121.070 121.223 0.183 0.000 2.353 508 L HA -0.180 4.055 4.340 -0.175 0.000 0.220 508 L C 2.054 179.085 176.870 0.268 0.000 1.133 508 L CA 0.654 55.656 54.840 0.269 0.000 0.798 508 L CB -0.413 41.884 42.059 0.396 0.000 0.922 508 L HN 0.348 nan 8.230 nan 0.000 0.445 509 L N -0.498 120.735 121.223 0.015 0.000 2.121 509 L HA -0.012 4.223 4.340 -0.175 0.000 0.200 509 L C 1.938 178.652 176.870 -0.261 0.000 1.077 509 L CA 1.489 56.119 54.840 -0.351 0.000 0.766 509 L CB -0.395 41.445 42.059 -0.366 0.000 0.931 509 L HN 0.234 nan 8.230 nan 0.000 0.452 510 T N -0.379 114.037 114.554 -0.230 0.000 4.099 510 T HA 0.420 4.666 4.350 -0.175 0.000 0.223 510 T C -0.171 174.385 174.700 -0.240 0.000 0.968 510 T CA 0.015 61.966 62.100 -0.250 0.000 0.966 510 T CB -1.524 67.143 68.868 -0.335 0.000 1.328 510 T HN 0.154 nan 8.240 nan 0.000 0.783 511 V N -1.736 118.053 119.914 -0.208 0.000 3.040 511 V HA 0.537 4.553 4.120 -0.175 0.000 0.312 511 V C 1.030 177.074 176.094 -0.085 0.000 1.115 511 V CA -1.598 60.599 62.300 -0.171 0.000 0.998 511 V CB 1.950 33.632 31.823 -0.236 0.000 1.042 511 V HN 0.199 nan 8.190 nan 0.000 0.433 512 K N 0.271 120.645 120.400 -0.042 0.000 2.103 512 K HA -0.053 4.162 4.320 -0.175 0.000 0.207 512 K C 0.884 177.472 176.600 -0.019 0.000 1.048 512 K CA 1.839 58.114 56.287 -0.020 0.000 0.930 512 K CB -0.406 32.096 32.500 0.004 0.000 0.716 512 K HN 0.825 nan 8.250 nan 0.000 0.444 513 T N 2.122 116.672 114.554 -0.008 0.000 4.309 513 T HA 0.102 4.347 4.350 -0.175 0.000 0.242 513 T C -0.493 174.216 174.700 0.015 0.000 1.142 513 T CA 0.080 62.179 62.100 -0.001 0.000 1.042 513 T CB -0.055 68.824 68.868 0.018 0.000 1.366 513 T HN 0.011 nan 8.240 nan 0.000 0.942 514 T N 2.782 117.337 114.554 0.001 0.000 3.170 514 T HA 0.482 4.728 4.350 -0.175 0.000 0.315 514 T C -1.095 173.617 174.700 0.019 0.000 0.967 514 T CA -0.596 61.526 62.100 0.037 0.000 1.024 514 T CB 1.107 69.987 68.868 0.019 0.000 1.018 514 T HN 0.074 nan 8.240 nan 0.000 0.449 515 L N 3.809 125.043 121.223 0.020 0.000 2.381 515 L HA 0.668 4.903 4.340 -0.175 0.000 0.274 515 L C -1.064 175.923 176.870 0.195 0.000 0.988 515 L CA -0.522 54.325 54.840 0.010 0.000 0.824 515 L CB 1.652 43.483 42.059 -0.380 0.000 1.263 515 L HN 0.491 nan 8.230 nan 0.000 0.410 516 L N 2.293 123.718 121.223 0.337 0.000 2.317 516 L HA 0.615 4.851 4.340 -0.175 0.000 0.281 516 L C 0.512 177.653 176.870 0.453 0.000 1.024 516 L CA -0.130 54.926 54.840 0.360 0.000 0.810 516 L CB 1.829 44.044 42.059 0.260 0.000 1.240 516 L HN 0.559 nan 8.230 nan 0.000 0.427 517 T N 1.161 115.919 114.554 0.340 0.000 2.900 517 T HA 0.048 4.293 4.350 -0.175 0.000 0.307 517 T C 1.285 176.116 174.700 0.218 0.000 1.065 517 T CA -0.429 61.783 62.100 0.188 0.000 1.105 517 T CB 0.516 69.463 68.868 0.132 0.000 0.979 517 T HN 0.489 nan 8.240 nan 0.000 0.544 518 K N 0.906 121.402 120.400 0.161 0.000 2.362 518 K HA -0.155 4.061 4.320 -0.175 0.000 0.202 518 K C 1.895 178.590 176.600 0.158 0.000 1.045 518 K CA 1.397 57.857 56.287 0.288 0.000 0.936 518 K CB 0.087 32.667 32.500 0.134 0.000 0.747 518 K HN 0.626 nan 8.250 nan 0.000 0.467 519 E N -0.018 120.242 120.200 0.100 0.000 2.290 519 E HA -0.030 4.215 4.350 -0.175 0.000 0.197 519 E C 1.528 178.167 176.600 0.065 0.000 0.948 519 E CA 0.106 56.544 56.400 0.065 0.000 0.895 519 E CB 0.328 30.059 29.700 0.053 0.000 0.865 519 E HN 0.298 nan 8.360 nan 0.000 0.486 520 E N 1.223 121.482 120.200 0.098 0.000 2.106 520 E HA -0.163 4.082 4.350 -0.175 0.000 0.192 520 E C 2.062 178.718 176.600 0.093 0.000 0.984 520 E CA 0.897 57.368 56.400 0.117 0.000 0.806 520 E CB -0.029 29.774 29.700 0.170 0.000 0.750 520 E HN 0.159 nan 8.360 nan 0.000 0.458 521 A N 1.445 124.295 122.820 0.050 0.000 1.845 521 A HA -0.265 3.951 4.320 -0.175 0.000 0.215 521 A C 2.069 179.600 177.584 -0.089 0.000 1.195 521 A CA 1.518 53.510 52.037 -0.075 0.000 0.616 521 A CB -0.609 18.185 19.000 -0.344 0.000 0.832 521 A HN 0.173 nan 8.150 nan 0.000 0.443 522 Q N -1.043 118.700 119.800 -0.095 0.000 2.226 522 Q HA -0.239 3.996 4.340 -0.175 0.000 0.204 522 Q C 2.228 178.224 176.000 -0.007 0.000 0.975 522 Q CA 1.493 57.258 55.803 -0.063 0.000 0.866 522 Q CB -0.160 28.551 28.738 -0.044 0.000 0.915 522 Q HN 0.812 nan 8.270 nan 0.000 0.440 523 Q N 0.390 120.203 119.800 0.021 0.000 2.224 523 Q HA -0.139 4.096 4.340 -0.175 0.000 0.203 523 Q C 1.819 177.853 176.000 0.057 0.000 0.970 523 Q CA 0.836 56.664 55.803 0.043 0.000 0.865 523 Q CB 0.132 28.905 28.738 0.058 0.000 0.922 523 Q HN 0.433 nan 8.270 nan 0.000 0.445 524 I N -0.148 120.461 120.570 0.066 0.000 2.206 524 I HA -0.230 3.835 4.170 -0.175 0.000 0.239 524 I C 1.671 177.827 176.117 0.065 0.000 1.078 524 I CA 0.432 61.785 61.300 0.088 0.000 1.367 524 I CB -0.197 37.874 38.000 0.117 0.000 1.078 524 I HN 0.217 nan 8.210 nan 0.000 0.413 525 L N 1.219 122.467 121.223 0.043 0.000 2.447 525 L HA -0.131 4.104 4.340 -0.175 0.000 0.225 525 L C 2.520 179.423 176.870 0.054 0.000 1.148 525 L CA 1.646 56.518 54.840 0.054 0.000 0.808 525 L CB -2.213 39.846 42.059 -0.001 0.000 0.928 525 L HN 0.330 nan 8.230 nan 0.000 0.448 526 G N -0.413 108.412 108.800 0.042 0.000 2.422 526 G HA2 -0.157 3.698 3.960 -0.175 0.000 0.218 526 G HA3 -0.157 3.698 3.960 -0.175 0.000 0.218 526 G C 1.577 176.505 174.900 0.047 0.000 1.146 526 G CA 0.933 46.058 45.100 0.041 0.000 0.769 526 G HN 0.350 nan 8.290 nan 0.000 0.547 527 V N 0.638 120.579 119.914 0.047 0.000 3.041 527 V HA 0.331 4.346 4.120 -0.175 0.000 0.260 527 V C 1.667 177.780 176.094 0.030 0.000 1.105 527 V CA 0.533 62.856 62.300 0.037 0.000 1.125 527 V CB -0.895 30.947 31.823 0.032 0.000 0.730 527 V HN 0.485 nan 8.190 nan 0.000 0.479 528 A N 0.468 123.316 122.820 0.047 0.000 2.293 528 A HA 0.448 4.663 4.320 -0.175 0.000 0.302 528 A C -0.119 177.545 177.584 0.134 0.000 1.119 528 A CA -0.322 51.747 52.037 0.053 0.000 0.823 528 A CB 0.426 19.487 19.000 0.102 0.000 1.097 528 A HN 0.255 nan 8.150 nan 0.000 0.491 529 D N 1.343 121.853 120.400 0.182 0.000 2.508 529 D HA 0.351 4.886 4.640 -0.175 0.000 0.224 529 D C -0.355 176.202 176.300 0.429 0.000 1.171 529 D CA 0.347 54.517 54.000 0.283 0.000 1.006 529 D CB -0.416 40.584 40.800 0.333 0.000 1.073 529 D HN 0.457 nan 8.370 nan 0.000 0.513 530 V N 0.350 120.425 119.914 0.269 0.000 2.841 530 V HA 0.483 4.499 4.120 -0.175 0.000 0.310 530 V C 0.781 176.924 176.094 0.082 0.000 1.090 530 V CA -0.896 61.536 62.300 0.220 0.000 0.930 530 V CB 2.172 34.096 31.823 0.167 0.000 1.014 530 V HN 0.100 nan 8.190 nan 0.000 0.425 531 K N 1.680 122.096 120.400 0.027 0.000 2.276 531 K HA 0.316 4.531 4.320 -0.175 0.000 0.198 531 K C 0.795 177.374 176.600 -0.035 0.000 1.052 531 K CA 0.036 56.319 56.287 -0.007 0.000 0.984 531 K CB 0.397 32.885 32.500 -0.021 0.000 0.836 531 K HN 0.720 nan 8.250 nan 0.000 0.490 532 I N 3.162 123.694 120.570 -0.064 0.000 3.115 532 I HA -0.219 3.846 4.170 -0.175 0.000 0.315 532 I C -0.185 175.886 176.117 -0.076 0.000 1.211 532 I CA 0.586 61.834 61.300 -0.086 0.000 1.453 532 I CB 0.313 38.229 38.000 -0.141 0.000 1.307 532 I HN 0.246 nan 8.210 nan 0.000 0.568 533 D N 7.001 127.364 120.400 -0.062 0.000 2.414 533 D HA 0.301 4.837 4.640 -0.175 0.000 0.241 533 D C -1.183 175.090 176.300 -0.045 0.000 1.008 533 D CA -0.648 53.322 54.000 -0.051 0.000 1.001 533 D CB 1.147 41.937 40.800 -0.018 0.000 1.277 533 D HN 0.302 nan 8.370 nan 0.000 0.538 534 L N 1.072 122.280 121.223 -0.025 0.000 2.264 534 L HA 0.400 4.635 4.340 -0.175 0.000 0.287 534 L C 0.958 177.928 176.870 0.165 0.000 1.039 534 L CA -0.386 54.485 54.840 0.051 0.000 0.829 534 L CB 0.434 42.444 42.059 -0.080 0.000 1.211 534 L HN 0.673 nan 8.230 nan 0.000 0.427 535 G N 3.273 112.127 108.800 0.090 0.000 2.508 535 G HA2 0.274 4.129 3.960 -0.175 0.000 0.301 535 G HA3 0.274 4.129 3.960 -0.175 0.000 0.301 535 G C 0.018 174.957 174.900 0.065 0.000 0.965 535 G CA -0.018 45.121 45.100 0.064 0.000 1.339 535 G HN 0.756 nan 8.290 nan 0.000 0.455 536 E N 1.235 121.469 120.200 0.057 0.000 7.284 536 E HA -0.142 4.103 4.350 -0.175 0.000 0.335 536 E C -2.419 174.157 176.600 -0.040 0.000 0.856 536 E CA -0.222 56.174 56.400 -0.006 0.000 1.267 536 E CB -0.308 29.385 29.700 -0.012 0.000 0.931 536 E HN 0.478 nan 8.360 nan 0.000 0.275 537 P HA -0.042 nan 4.420 nan 0.000 0.269 537 P C 0.460 177.676 177.300 -0.140 0.000 1.215 537 P CA 0.441 63.319 63.100 -0.370 0.000 0.780 537 P CB 0.858 32.094 31.700 -0.773 0.000 0.898 538 A N 3.468 126.254 122.820 -0.057 0.000 1.978 538 A HA -0.083 4.132 4.320 -0.175 0.000 0.220 538 A C 1.225 178.795 177.584 -0.023 0.000 1.170 538 A CA 1.206 53.233 52.037 -0.017 0.000 0.636 538 A CB -0.803 18.205 19.000 0.014 0.000 0.810 538 A HN 0.572 nan 8.150 nan 0.000 0.448 539 I N 0.299 120.852 120.570 -0.028 0.000 2.389 539 I HA 0.212 4.277 4.170 -0.175 0.000 0.288 539 I C 0.374 176.470 176.117 -0.036 0.000 0.999 539 I CA -0.628 60.672 61.300 -0.001 0.000 1.129 539 I CB 1.807 39.847 38.000 0.066 0.000 1.288 539 I HN 0.016 nan 8.210 nan 0.000 0.444 540 L N 4.349 125.553 121.223 -0.032 0.000 2.362 540 L HA 0.275 4.510 4.340 -0.175 0.000 0.204 540 L C 2.211 179.061 176.870 -0.033 0.000 1.060 540 L CA 1.254 56.063 54.840 -0.052 0.000 0.827 540 L CB -1.447 40.584 42.059 -0.046 0.000 1.027 540 L HN 0.722 nan 8.230 nan 0.000 0.474 541 A N 1.667 124.482 122.820 -0.008 0.000 1.822 541 A HA -0.051 4.164 4.320 -0.175 0.000 0.214 541 A C 0.132 177.719 177.584 0.005 0.000 1.245 541 A CA 1.501 53.536 52.037 -0.003 0.000 0.608 541 A CB -2.082 16.920 19.000 0.003 0.000 0.896 541 A HN 0.341 nan 8.150 nan 0.000 0.457 542 P HA -0.056 nan 4.420 nan 0.000 0.216 542 P C 0.298 177.618 177.300 0.033 0.000 1.153 542 P CA 1.123 64.246 63.100 0.038 0.000 0.848 542 P CB 0.084 31.821 31.700 0.062 0.000 0.787 543 R N -1.121 119.408 120.500 0.048 0.000 2.739 543 R HA 0.342 4.577 4.340 -0.175 0.000 0.271 543 R C -0.632 175.568 176.300 -0.167 0.000 1.010 543 R CA -0.719 55.331 56.100 -0.084 0.000 0.897 543 R CB 1.779 32.003 30.300 -0.127 0.000 1.236 543 R HN -0.072 nan 8.270 nan 0.000 0.466 544 E N 1.879 121.894 120.200 -0.309 0.000 2.129 544 E HA 0.136 4.381 4.350 -0.175 0.000 0.283 544 E C -1.220 175.090 176.600 -0.483 0.000 1.080 544 E CA 0.227 56.436 56.400 -0.318 0.000 0.867 544 E CB 0.590 30.120 29.700 -0.283 0.000 1.056 544 E HN 0.269 nan 8.360 nan 0.000 0.404 545 Y N 1.847 122.046 120.300 -0.168 0.000 2.391 545 Y HA 0.250 4.695 4.550 -0.174 0.000 0.341 545 Y C -0.706 175.104 175.900 -0.149 0.000 0.965 545 Y CA -0.903 57.139 58.100 -0.096 0.000 1.067 545 Y CB 1.061 39.510 38.460 -0.019 0.000 1.199 545 Y HN 0.419 nan 8.280 nan 0.000 0.450 546 Y N 1.219 121.616 120.300 0.161 0.000 2.308 546 Y HA 0.361 4.806 4.550 -0.175 0.000 0.329 546 Y C 0.882 176.822 175.900 0.067 0.000 1.111 546 Y CA -0.879 57.270 58.100 0.080 0.000 1.179 546 Y CB 1.071 39.558 38.460 0.046 0.000 1.201 546 Y HN 0.549 nan 8.280 nan 0.000 0.483 547 T N -1.606 113.049 114.554 0.168 0.000 2.909 547 T HA 0.288 4.533 4.350 -0.175 0.000 0.289 547 T C 1.376 176.091 174.700 0.025 0.000 1.005 547 T CA -0.366 61.777 62.100 0.071 0.000 1.084 547 T CB 1.510 70.391 68.868 0.022 0.000 0.975 547 T HN 0.860 nan 8.240 nan 0.000 0.509 548 G N 0.902 109.670 108.800 -0.052 0.000 2.498 548 G HA2 -0.124 3.731 3.960 -0.175 0.000 0.219 548 G HA3 -0.124 3.731 3.960 -0.175 0.000 0.219 548 G C 1.417 176.240 174.900 -0.127 0.000 1.119 548 G CA 0.064 45.075 45.100 -0.148 0.000 0.766 548 G HN 0.703 nan 8.290 nan 0.000 0.552 549 K N -0.051 120.288 120.400 -0.102 0.000 2.167 549 K HA -0.022 4.194 4.320 -0.175 0.000 0.203 549 K C 2.322 178.876 176.600 -0.076 0.000 1.052 549 K CA 0.734 56.948 56.287 -0.122 0.000 0.956 549 K CB -0.128 32.309 32.500 -0.105 0.000 0.735 549 K HN 0.428 nan 8.250 nan 0.000 0.451 550 Q N 1.025 120.807 119.800 -0.029 0.000 2.046 550 Q HA -0.119 4.116 4.340 -0.175 0.000 0.200 550 Q C 2.132 178.118 176.000 -0.023 0.000 0.975 550 Q CA 1.306 57.108 55.803 -0.002 0.000 0.836 550 Q CB 0.042 28.817 28.738 0.063 0.000 0.896 550 Q HN 0.142 nan 8.270 nan 0.000 0.428 551 V N -0.399 119.495 119.914 -0.033 0.000 2.343 551 V HA -0.167 3.849 4.120 -0.175 0.000 0.247 551 V C 2.005 178.118 176.094 0.033 0.000 1.051 551 V CA 1.765 64.039 62.300 -0.044 0.000 1.036 551 V CB -0.169 31.622 31.823 -0.053 0.000 0.654 551 V HN 0.299 nan 8.190 nan 0.000 0.451 552 V N 0.109 120.053 119.914 0.051 0.000 2.626 552 V HA -0.173 3.842 4.120 -0.175 0.000 0.252 552 V C 2.775 178.968 176.094 0.165 0.000 1.067 552 V CA 2.226 64.618 62.300 0.154 0.000 1.081 552 V CB -0.497 31.350 31.823 0.040 0.000 0.686 552 V HN 0.683 nan 8.190 nan 0.000 0.468 553 S N 0.233 115.958 115.700 0.041 0.000 2.402 553 S HA -0.108 4.257 4.470 -0.175 0.000 0.229 553 S C 2.013 176.623 174.600 0.016 0.000 1.021 553 S CA 1.148 59.371 58.200 0.037 0.000 0.974 553 S CB -0.293 62.906 63.200 -0.002 0.000 0.800 553 S HN 0.625 nan 8.310 nan 0.000 0.484 554 A N -0.472 122.297 122.820 -0.085 0.000 2.259 554 A HA 0.115 4.330 4.320 -0.175 0.000 0.212 554 A C 1.156 178.529 177.584 -0.352 0.000 1.178 554 A CA 0.804 52.688 52.037 -0.254 0.000 0.734 554 A CB -0.706 18.050 19.000 -0.407 0.000 0.774 554 A HN 0.648 nan 8.150 nan 0.000 0.481 555 F N -1.045 118.952 119.950 0.078 0.000 2.706 555 F HA 0.339 4.761 4.527 -0.174 0.000 0.308 555 F C 0.456 176.360 175.800 0.174 0.000 1.095 555 F CA -0.374 57.743 58.000 0.195 0.000 1.244 555 F CB 0.162 39.171 39.000 0.015 0.000 1.063 555 F HN -0.044 nan 8.300 nan 0.000 0.582 556 L N 1.915 123.247 121.223 0.181 0.000 2.375 556 L HA 0.378 4.613 4.340 -0.175 0.000 0.271 556 L C -2.311 174.523 176.870 -0.060 0.000 1.107 556 L CA -2.113 52.737 54.840 0.018 0.000 0.806 556 L CB 0.144 42.226 42.059 0.039 0.000 1.146 556 L HN -0.267 nan 8.230 nan 0.000 0.447 557 P HA 0.057 nan 4.420 nan 0.000 0.271 557 P C -0.348 176.967 177.300 0.025 0.000 1.216 557 P CA -0.331 62.646 63.100 -0.206 0.000 0.771 557 P CB 0.440 31.872 31.700 -0.448 0.000 0.864 558 K N 2.256 122.672 120.400 0.027 0.000 2.630 558 K HA -0.008 4.207 4.320 -0.175 0.000 0.204 558 K C 0.400 177.062 176.600 0.104 0.000 1.024 558 K CA 0.679 57.000 56.287 0.057 0.000 1.157 558 K CB -0.449 32.063 32.500 0.020 0.000 0.899 558 K HN 0.583 nan 8.250 nan 0.000 0.501 559 D N -1.433 119.076 120.400 0.181 0.000 2.582 559 D HA -0.027 4.508 4.640 -0.175 0.000 0.246 559 D C -0.390 176.096 176.300 0.311 0.000 1.334 559 D CA -0.605 53.527 54.000 0.220 0.000 0.805 559 D CB -0.549 40.387 40.800 0.227 0.000 1.087 559 D HN -0.069 nan 8.370 nan 0.000 0.499 560 F N 2.121 122.178 119.950 0.177 0.000 2.420 560 F HA 0.406 4.828 4.527 -0.175 0.000 0.352 560 F C -0.433 175.488 175.800 0.201 0.000 1.108 560 F CA -0.439 57.705 58.000 0.240 0.000 1.162 560 F CB 0.653 39.761 39.000 0.180 0.000 1.118 560 F HN -0.243 nan 8.300 nan 0.000 0.510 561 N N 6.830 125.328 118.700 -0.338 0.000 2.258 561 N HA 0.436 5.071 4.740 -0.175 0.000 0.299 561 N C -1.819 173.658 175.510 -0.054 0.000 1.047 561 N CA -0.379 52.598 53.050 -0.121 0.000 0.814 561 N CB 2.138 40.633 38.487 0.013 0.000 1.413 561 N HN 0.580 nan 8.380 nan 0.000 0.478 562 F N 1.367 121.305 119.950 -0.020 0.000 2.615 562 F HA 0.385 4.807 4.527 -0.175 0.000 0.312 562 F C -1.252 174.615 175.800 0.112 0.000 1.119 562 F CA -0.419 57.649 58.000 0.114 0.000 0.979 562 F CB 1.438 40.502 39.000 0.107 0.000 1.266 562 F HN 0.403 nan 8.300 nan 0.000 0.444 563 H N 3.257 121.904 119.070 -0.704 0.000 2.759 563 H HA 0.747 5.198 4.556 -0.175 0.000 0.354 563 H C -0.382 174.288 175.328 -1.097 0.000 1.074 563 H CA -1.061 54.631 56.048 -0.594 0.000 1.226 563 H CB 1.994 31.831 29.762 0.124 0.000 1.648 563 H HN 0.967 nan 8.280 nan 0.000 0.529 564 G N 1.743 110.017 108.800 -0.875 0.000 2.377 564 G HA2 0.082 3.937 3.960 -0.175 0.000 0.297 564 G HA3 0.082 3.937 3.960 -0.175 0.000 0.297 564 G C -1.629 173.120 174.900 -0.253 0.000 1.547 564 G CA -0.992 43.837 45.100 -0.452 0.000 0.833 564 G HN 0.469 nan 8.290 nan 0.000 0.583 565 Q N 0.195 120.018 119.800 0.039 0.000 2.296 565 Q HA 0.558 4.793 4.340 -0.175 0.000 0.262 565 Q C 0.731 176.824 176.000 0.155 0.000 0.981 565 Q CA -0.007 55.881 55.803 0.141 0.000 0.905 565 Q CB 1.689 30.537 28.738 0.184 0.000 1.186 565 Q HN 0.906 nan 8.270 nan 0.000 0.399 566 A N 2.504 125.425 122.820 0.167 0.000 2.366 566 A HA -0.015 4.201 4.320 -0.175 0.000 0.250 566 A C 0.962 178.626 177.584 0.134 0.000 1.099 566 A CA -0.229 51.914 52.037 0.177 0.000 0.794 566 A CB 0.229 19.351 19.000 0.204 0.000 1.056 566 A HN 0.999 nan 8.150 nan 0.000 0.499 567 N N -0.201 118.561 118.700 0.104 0.000 2.348 567 N HA -0.142 4.493 4.740 -0.175 0.000 0.185 567 N C 1.344 176.873 175.510 0.033 0.000 1.019 567 N CA 1.557 54.639 53.050 0.054 0.000 0.880 567 N CB -0.084 38.417 38.487 0.024 0.000 0.965 567 N HN 0.409 nan 8.380 nan 0.000 0.437 568 V N 0.078 120.027 119.914 0.059 0.000 2.626 568 V HA -0.087 3.928 4.120 -0.175 0.000 0.252 568 V C 1.416 177.539 176.094 0.049 0.000 1.067 568 V CA 0.855 63.175 62.300 0.034 0.000 1.081 568 V CB -0.531 31.361 31.823 0.117 0.000 0.686 568 V HN 0.204 nan 8.190 nan 0.000 0.468 569 S N 1.588 117.344 115.700 0.093 0.000 3.455 569 S HA 0.274 4.640 4.470 -0.175 0.000 0.288 569 S C 0.197 174.842 174.600 0.076 0.000 1.231 569 S CA 0.249 58.516 58.200 0.111 0.000 1.031 569 S CB -0.941 62.356 63.200 0.162 0.000 1.570 569 S HN 0.795 nan 8.310 nan 0.000 0.519 570 S N 2.310 118.036 115.700 0.044 0.000 2.547 570 S HA 0.816 5.181 4.470 -0.175 0.000 0.270 570 S C 0.502 175.115 174.600 0.022 0.000 1.150 570 S CA -0.293 57.926 58.200 0.032 0.000 0.850 570 S CB 0.937 64.144 63.200 0.011 0.000 1.118 570 S HN 1.386 nan 8.310 nan 0.000 0.461 571 G N 2.423 111.241 108.800 0.030 0.000 2.591 571 G HA2 -0.242 3.614 3.960 -0.175 0.000 0.298 571 G HA3 -0.242 3.614 3.960 -0.175 0.000 0.298 571 G C -1.747 173.173 174.900 0.034 0.000 1.195 571 G CA 0.418 45.536 45.100 0.030 0.000 0.989 571 G HN 0.809 nan 8.290 nan 0.000 0.551 572 P HA 0.131 nan 4.420 nan 0.000 0.229 572 P C 1.402 178.657 177.300 -0.075 0.000 1.160 572 P CA 1.102 64.208 63.100 0.010 0.000 0.777 572 P CB 0.026 31.721 31.700 -0.008 0.000 0.814 573 R N -0.649 119.769 120.500 -0.137 0.000 2.515 573 R HA 0.275 4.510 4.340 -0.175 0.000 0.294 573 R C 0.503 176.852 176.300 0.081 0.000 1.021 573 R CA -0.444 55.505 56.100 -0.252 0.000 1.081 573 R CB -0.351 29.811 30.300 -0.230 0.000 1.263 573 R HN 0.228 nan 8.270 nan 0.000 0.557 574 L N -1.232 120.066 121.223 0.125 0.000 2.436 574 L HA 0.104 4.339 4.340 -0.175 0.000 0.265 574 L C 0.276 177.264 176.870 0.196 0.000 1.168 574 L CA 0.025 54.952 54.840 0.145 0.000 0.815 574 L CB 1.138 43.258 42.059 0.101 0.000 1.109 574 L HN 0.149 nan 8.230 nan 0.000 0.462 575 c N 0.390 119.094 118.600 0.173 0.000 3.162 575 c HA 0.315 4.781 4.570 -0.175 0.000 0.220 575 c C 1.468 175.587 174.090 0.048 0.000 2.475 575 c CA 0.072 56.485 56.329 0.140 0.000 1.361 575 c CB -0.016 42.630 42.510 0.226 0.000 1.251 575 c HN 1.091 nan 8.230 nan 0.000 0.734 576 K N -0.109 120.345 120.400 0.090 0.000 3.595 576 K HA -0.212 4.004 4.320 -0.175 0.000 0.284 576 K C 0.044 176.432 176.600 -0.354 0.000 1.150 576 K CA 1.562 57.847 56.287 -0.003 0.000 1.056 576 K CB -1.085 31.428 32.500 0.022 0.000 1.354 576 K HN 0.646 nan 8.250 nan 0.000 0.448 577 N N -0.017 118.403 118.700 -0.468 0.000 2.328 577 N HA 0.142 4.777 4.740 -0.175 0.000 0.299 577 N C -0.042 175.066 175.510 -0.670 0.000 1.179 577 N CA -0.255 52.470 53.050 -0.542 0.000 0.793 577 N CB 1.489 39.842 38.487 -0.225 0.000 1.366 577 N HN 0.086 nan 8.380 nan 0.000 0.493 578 E N -0.256 119.672 120.200 -0.453 0.000 2.274 578 E HA -0.115 4.130 4.350 -0.175 0.000 0.194 578 E C -0.565 176.016 176.600 -0.031 0.000 0.996 578 E CA 0.664 56.989 56.400 -0.124 0.000 0.840 578 E CB 0.122 29.834 29.700 0.019 0.000 0.772 578 E HN 0.409 nan 8.360 nan 0.000 0.491 579 D N 0.316 120.673 120.400 -0.071 0.000 2.313 579 D HA 0.135 4.670 4.640 -0.175 0.000 0.239 579 D C -1.609 174.660 176.300 -0.053 0.000 1.142 579 D CA -0.284 53.690 54.000 -0.043 0.000 0.847 579 D CB 0.795 41.569 40.800 -0.044 0.000 1.082 579 D HN -0.059 nan 8.370 nan 0.000 0.480 580 c N 6.221 124.800 118.600 -0.034 0.000 2.832 580 c HA 0.410 4.875 4.570 -0.175 0.000 0.383 580 c C -1.868 172.163 174.090 -0.098 0.000 1.046 580 c CA -1.222 55.072 56.329 -0.058 0.000 1.242 580 c CB 1.240 43.766 42.510 0.027 0.000 1.693 580 c HN 0.572 nan 8.230 nan 0.000 0.497 581 P HA 0.057 nan 4.420 nan 0.000 0.230 581 P C 0.083 177.254 177.300 -0.215 0.000 1.158 581 P CA 1.233 64.176 63.100 -0.261 0.000 0.769 581 P CB -0.050 31.434 31.700 -0.360 0.000 0.807 582 H N -1.347 117.777 119.070 0.089 0.000 2.713 582 H HA 0.281 4.732 4.556 -0.174 0.000 0.340 582 H C -0.273 175.122 175.328 0.112 0.000 1.271 582 H CA -0.692 55.425 56.048 0.116 0.000 1.306 582 H CB 0.361 30.201 29.762 0.131 0.000 1.839 582 H HN -0.193 nan 8.280 nan 0.000 0.627 583 D N 0.423 120.981 120.400 0.264 0.000 2.638 583 D HA 0.107 4.642 4.640 -0.175 0.000 0.245 583 D C 0.294 176.712 176.300 0.196 0.000 1.176 583 D CA 0.083 54.183 54.000 0.167 0.000 0.996 583 D CB 0.153 41.007 40.800 0.089 0.000 1.012 583 D HN 0.448 nan 8.370 nan 0.000 0.515 584 S N 2.171 118.013 115.700 0.235 0.000 2.817 584 S HA 0.079 4.444 4.470 -0.175 0.000 0.262 584 S C -0.543 174.224 174.600 0.279 0.000 1.051 584 S CA -0.453 57.896 58.200 0.250 0.000 1.185 584 S CB 0.119 63.482 63.200 0.272 0.000 1.152 584 S HN 0.332 nan 8.310 nan 0.000 0.653 585 Y N 2.281 122.659 120.300 0.130 0.000 2.345 585 Y HA 0.607 5.053 4.550 -0.175 0.000 0.331 585 Y C -0.706 175.262 175.900 0.113 0.000 0.959 585 Y CA -0.861 57.310 58.100 0.117 0.000 1.204 585 Y CB 1.317 39.831 38.460 0.091 0.000 1.135 585 Y HN -0.064 nan 8.280 nan 0.000 0.477 586 V N 7.471 127.210 119.914 -0.292 0.000 2.427 586 V HA 0.271 4.286 4.120 -0.175 0.000 0.268 586 V C -0.472 175.476 176.094 -0.243 0.000 1.046 586 V CA -0.375 61.871 62.300 -0.091 0.000 0.970 586 V CB 0.744 32.702 31.823 0.225 0.000 1.001 586 V HN 0.547 nan 8.190 nan 0.000 0.476 587 V N 7.435 127.281 119.914 -0.114 0.000 2.409 587 V HA 0.504 4.519 4.120 -0.175 0.000 0.290 587 V C -0.416 175.633 176.094 -0.075 0.000 1.017 587 V CA -0.402 61.754 62.300 -0.239 0.000 0.841 587 V CB 1.675 33.366 31.823 -0.220 0.000 1.003 587 V HN 0.674 nan 8.190 nan 0.000 0.426 588 I N 5.412 125.992 120.570 0.016 0.000 2.406 588 I HA 0.512 4.577 4.170 -0.175 0.000 0.290 588 I C -0.022 176.123 176.117 0.046 0.000 0.999 588 I CA -0.129 61.238 61.300 0.112 0.000 1.124 588 I CB 1.701 39.895 38.000 0.324 0.000 1.289 588 I HN 0.440 nan 8.210 nan 0.000 0.441 589 K N 5.246 125.646 120.400 -0.001 0.000 2.397 589 K HA 0.410 4.625 4.320 -0.175 0.000 0.253 589 K C -0.428 176.137 176.600 -0.058 0.000 0.932 589 K CA -0.872 55.369 56.287 -0.076 0.000 0.795 589 K CB 1.483 33.878 32.500 -0.175 0.000 1.159 589 K HN 0.473 nan 8.250 nan 0.000 0.424 590 N N 1.322 119.984 118.700 -0.063 0.000 2.701 590 N HA -0.208 4.428 4.740 -0.175 0.000 0.250 590 N C 0.372 175.924 175.510 0.070 0.000 1.046 590 N CA 1.601 54.648 53.050 -0.005 0.000 0.733 590 N CB -1.210 37.223 38.487 -0.091 0.000 0.973 590 N HN 1.126 nan 8.380 nan 0.000 0.541 591 G N -1.117 107.781 108.800 0.163 0.000 2.248 591 G HA2 -0.244 3.611 3.960 -0.175 0.000 0.263 591 G HA3 -0.244 3.611 3.960 -0.175 0.000 0.263 591 G C -0.326 174.627 174.900 0.087 0.000 1.082 591 G CA 0.190 45.385 45.100 0.157 0.000 0.863 591 G HN 0.427 nan 8.290 nan 0.000 0.495 592 I N -0.126 120.490 120.570 0.078 0.000 2.533 592 I HA 0.364 4.430 4.170 -0.175 0.000 0.290 592 I C 0.337 176.470 176.117 0.027 0.000 1.056 592 I CA -1.197 60.120 61.300 0.029 0.000 1.057 592 I CB 1.890 39.886 38.000 -0.007 0.000 1.240 592 I HN 0.077 nan 8.210 nan 0.000 0.423 593 L N 6.279 127.497 121.223 -0.009 0.000 2.389 593 L HA 0.162 4.397 4.340 -0.175 0.000 0.265 593 L C 0.876 177.717 176.870 -0.048 0.000 1.167 593 L CA -0.291 54.519 54.840 -0.050 0.000 1.045 593 L CB 0.355 42.321 42.059 -0.155 0.000 1.351 593 L HN 0.506 nan 8.230 nan 0.000 0.419 594 L N 1.561 122.767 121.223 -0.028 0.000 2.095 594 L HA 0.148 4.383 4.340 -0.175 0.000 0.204 594 L C 0.961 177.822 176.870 -0.016 0.000 1.080 594 L CA 1.362 56.188 54.840 -0.024 0.000 0.759 594 L CB -0.570 41.474 42.059 -0.024 0.000 0.914 594 L HN 0.541 nan 8.230 nan 0.000 0.439 595 E N -2.047 118.148 120.200 -0.008 0.000 2.408 595 E HA 0.514 4.759 4.350 -0.175 0.000 0.275 595 E C -0.559 176.054 176.600 0.021 0.000 0.935 595 E CA -0.132 56.281 56.400 0.021 0.000 0.775 595 E CB 2.813 32.554 29.700 0.068 0.000 1.277 595 E HN 0.123 nan 8.360 nan 0.000 0.455 596 G N -0.080 108.747 108.800 0.045 0.000 2.699 596 G HA2 -0.113 3.742 3.960 -0.175 0.000 0.686 596 G HA3 -0.113 3.742 3.960 -0.175 0.000 0.686 596 G C -1.390 173.526 174.900 0.026 0.000 1.301 596 G CA -0.440 44.700 45.100 0.066 0.000 0.816 596 G HN 0.416 nan 8.290 nan 0.000 0.595 597 V N 1.697 121.667 119.914 0.094 0.000 2.667 597 V HA 0.810 4.826 4.120 -0.175 0.000 0.308 597 V C -0.300 175.962 176.094 0.281 0.000 1.048 597 V CA -1.162 61.186 62.300 0.079 0.000 0.928 597 V CB 1.484 33.349 31.823 0.071 0.000 1.004 597 V HN 0.798 nan 8.190 nan 0.000 0.444 598 F N 5.415 125.376 119.950 0.019 0.000 2.396 598 F HA 0.614 5.036 4.527 -0.175 0.000 0.343 598 F C 0.482 176.300 175.800 0.031 0.000 1.104 598 F CA -0.905 57.100 58.000 0.008 0.000 1.161 598 F CB 1.179 40.141 39.000 -0.063 0.000 1.146 598 F HN 0.832 nan 8.300 nan 0.000 0.522 599 D N 0.653 121.151 120.400 0.164 0.000 3.734 599 D HA 0.108 4.644 4.640 -0.175 0.000 0.350 599 D C -1.102 175.214 176.300 0.028 0.000 1.511 599 D CA -0.815 53.242 54.000 0.096 0.000 0.956 599 D CB 0.566 41.450 40.800 0.140 0.000 1.470 599 D HN 0.232 nan 8.370 nan 0.000 0.598 600 K N 0.248 120.660 120.400 0.019 0.000 2.436 600 K HA 0.072 4.287 4.320 -0.175 0.000 0.275 600 K C 0.159 176.776 176.600 0.028 0.000 0.999 600 K CA 0.262 56.554 56.287 0.009 0.000 0.980 600 K CB 0.271 32.771 32.500 -0.000 0.000 0.919 600 K HN 0.480 nan 8.250 nan 0.000 0.484 601 K N 0.053 120.465 120.400 0.019 0.000 3.436 601 K HA -0.198 4.018 4.320 -0.175 0.000 0.294 601 K C 0.807 177.414 176.600 0.011 0.000 0.831 601 K CA 1.384 57.701 56.287 0.049 0.000 1.287 601 K CB -1.555 31.005 32.500 0.101 0.000 1.233 601 K HN 0.671 nan 8.250 nan 0.000 0.540 602 A N 0.525 123.315 122.820 -0.050 0.000 1.920 602 A HA 0.376 4.591 4.320 -0.175 0.000 0.209 602 A C 1.284 178.723 177.584 -0.241 0.000 1.229 602 A CA 0.925 52.821 52.037 -0.235 0.000 0.671 602 A CB 0.239 19.024 19.000 -0.357 0.000 0.886 602 A HN 0.236 nan 8.150 nan 0.000 0.461 603 I N -3.316 117.178 120.570 -0.126 0.000 3.595 603 I HA 0.693 4.758 4.170 -0.175 0.000 0.289 603 I C 0.440 176.534 176.117 -0.038 0.000 1.145 603 I CA -0.699 60.575 61.300 -0.044 0.000 1.071 603 I CB 1.195 39.250 38.000 0.092 0.000 1.364 603 I HN 0.465 nan 8.210 nan 0.000 0.486 604 G N 2.361 111.127 108.800 -0.056 0.000 3.055 604 G HA2 -0.115 3.740 3.960 -0.175 0.000 0.686 604 G HA3 -0.115 3.740 3.960 -0.175 0.000 0.686 604 G C -0.698 174.162 174.900 -0.066 0.000 1.087 604 G CA -0.695 44.371 45.100 -0.056 0.000 0.779 604 G HN 0.928 nan 8.290 nan 0.000 0.599 605 N N 2.282 120.941 118.700 -0.069 0.000 2.237 605 N HA 0.090 4.725 4.740 -0.175 0.000 0.222 605 N C 0.748 176.246 175.510 -0.020 0.000 1.311 605 N CA 0.724 53.742 53.050 -0.053 0.000 0.880 605 N CB 0.253 38.716 38.487 -0.040 0.000 1.106 605 N HN 1.052 nan 8.380 nan 0.000 0.435 606 Q N -0.714 119.099 119.800 0.022 0.000 2.406 606 Q HA -0.218 4.018 4.340 -0.175 0.000 0.339 606 Q C -1.083 174.922 176.000 0.009 0.000 1.337 606 Q CA 1.061 56.896 55.803 0.053 0.000 0.985 606 Q CB -0.784 27.956 28.738 0.004 0.000 1.216 606 Q HN 0.624 nan 8.270 nan 0.000 0.415 607 Q N 0.650 120.451 119.800 0.002 0.000 2.798 607 Q HA 0.399 4.634 4.340 -0.175 0.000 0.250 607 Q C -2.410 173.593 176.000 0.006 0.000 1.006 607 Q CA -1.537 54.268 55.803 0.002 0.000 0.759 607 Q CB 1.683 30.413 28.738 -0.013 0.000 1.201 607 Q HN 0.200 nan 8.270 nan 0.000 0.486 608 P HA 0.109 nan 4.420 nan 0.000 0.275 608 P C -0.381 177.013 177.300 0.157 0.000 1.228 608 P CA -0.010 63.181 63.100 0.151 0.000 0.786 608 P CB 0.655 32.588 31.700 0.388 0.000 0.927 609 E N -1.478 118.758 120.200 0.059 0.000 2.586 609 E HA -0.180 4.065 4.350 -0.175 0.000 0.259 609 E C -0.115 176.493 176.600 0.012 0.000 1.107 609 E CA 0.518 56.824 56.400 -0.156 0.000 0.754 609 E CB -1.599 28.221 29.700 0.199 0.000 1.335 609 E HN 0.619 nan 8.360 nan 0.000 0.411 610 S N -0.935 114.721 115.700 -0.074 0.000 2.713 610 S HA 0.489 4.854 4.470 -0.175 0.000 0.283 610 S C 1.248 175.792 174.600 -0.092 0.000 1.161 610 S CA -0.623 57.569 58.200 -0.013 0.000 0.999 610 S CB 1.269 64.451 63.200 -0.031 0.000 1.039 610 S HN 0.201 nan 8.310 nan 0.000 0.548 611 I N 0.252 120.661 120.570 -0.268 0.000 2.194 611 I HA -0.176 3.890 4.170 -0.175 0.000 0.246 611 I C 2.374 178.489 176.117 -0.004 0.000 1.093 611 I CA 1.301 62.449 61.300 -0.254 0.000 1.355 611 I CB -0.447 37.287 38.000 -0.443 0.000 1.046 611 I HN 0.590 nan 8.210 nan 0.000 0.413 612 L N 0.122 121.293 121.223 -0.087 0.000 2.141 612 L HA -0.232 4.004 4.340 -0.175 0.000 0.209 612 L C 2.550 179.454 176.870 0.056 0.000 1.094 612 L CA 1.723 56.546 54.840 -0.029 0.000 0.763 612 L CB -0.676 41.357 42.059 -0.044 0.000 0.908 612 L HN 0.256 nan 8.230 nan 0.000 0.437 613 H N -1.721 117.265 119.070 -0.140 0.000 2.267 613 H HA -0.256 4.195 4.556 -0.175 0.000 0.297 613 H C 1.987 177.273 175.328 -0.070 0.000 1.080 613 H CA 2.244 58.158 56.048 -0.225 0.000 1.278 613 H CB -0.294 29.170 29.762 -0.497 0.000 1.365 613 H HN 0.452 nan 8.280 nan 0.000 0.489 614 W N 0.924 122.363 121.300 0.231 0.000 2.333 614 W HA -0.157 4.399 4.660 -0.174 0.000 0.316 614 W C 2.646 179.446 176.519 0.469 0.000 1.215 614 W CA 0.379 57.886 57.345 0.270 0.000 1.278 614 W CB -0.460 29.200 29.460 0.332 0.000 1.154 614 W HN 0.184 nan 8.180 nan 0.000 0.486 615 L N -0.060 121.550 121.223 0.644 0.000 2.137 615 L HA -0.285 3.950 4.340 -0.175 0.000 0.213 615 L C 2.079 179.244 176.870 0.491 0.000 1.085 615 L CA 1.433 56.514 54.840 0.401 0.000 0.760 615 L CB -0.639 41.372 42.059 -0.080 0.000 0.893 615 L HN 0.134 nan 8.230 nan 0.000 0.434 616 I N -0.989 119.787 120.570 0.343 0.000 2.585 616 I HA -0.200 3.866 4.170 -0.175 0.000 0.254 616 I C 2.581 178.894 176.117 0.326 0.000 1.129 616 I CA 0.696 62.163 61.300 0.277 0.000 1.455 616 I CB -0.172 37.910 38.000 0.137 0.000 1.111 616 I HN 0.176 nan 8.210 nan 0.000 0.433 617 K N 1.998 122.612 120.400 0.357 0.000 2.155 617 K HA -0.148 4.068 4.320 -0.175 0.000 0.203 617 K C 0.941 177.691 176.600 0.249 0.000 1.052 617 K CA 1.309 57.777 56.287 0.301 0.000 0.948 617 K CB 0.134 32.822 32.500 0.314 0.000 0.728 617 K HN 0.430 nan 8.250 nan 0.000 0.448 618 E N -0.574 119.780 120.200 0.257 0.000 2.830 618 E HA 0.129 4.375 4.350 -0.175 0.000 0.225 618 E C -1.267 175.049 176.600 -0.474 0.000 1.109 618 E CA -0.612 55.756 56.400 -0.053 0.000 1.392 618 E CB 0.096 29.744 29.700 -0.086 0.000 1.349 618 E HN 0.107 nan 8.360 nan 0.000 0.433 619 Y N -0.509 119.947 120.300 0.259 0.000 2.689 619 Y HA 0.170 4.615 4.550 -0.175 0.000 0.333 619 Y C 0.042 176.092 175.900 0.249 0.000 1.208 619 Y CA -1.208 57.048 58.100 0.260 0.000 1.055 619 Y CB 1.353 40.043 38.460 0.383 0.000 1.304 619 Y HN 0.189 nan 8.280 nan 0.000 0.455 620 S N -0.423 115.519 115.700 0.403 0.000 2.561 620 S HA -0.070 4.295 4.470 -0.175 0.000 0.294 620 S C 0.522 175.302 174.600 0.299 0.000 1.294 620 S CA 0.240 58.607 58.200 0.278 0.000 1.055 620 S CB 0.597 63.927 63.200 0.215 0.000 0.819 620 S HN 0.816 nan 8.310 nan 0.000 0.503 621 D N 0.472 121.000 120.400 0.215 0.000 2.310 621 D HA -0.050 4.485 4.640 -0.175 0.000 0.212 621 D C 1.464 177.929 176.300 0.275 0.000 0.965 621 D CA 0.857 54.988 54.000 0.217 0.000 0.879 621 D CB 0.100 40.994 40.800 0.158 0.000 0.921 621 D HN 0.596 nan 8.370 nan 0.000 0.510 622 E N -1.292 119.041 120.200 0.223 0.000 2.472 622 E HA -0.056 4.189 4.350 -0.175 0.000 0.196 622 E C 0.952 177.689 176.600 0.228 0.000 1.033 622 E CA -0.008 56.492 56.400 0.168 0.000 0.886 622 E CB 0.115 29.873 29.700 0.098 0.000 0.944 622 E HN 0.473 nan 8.360 nan 0.000 0.492 623 Y N 0.458 120.851 120.300 0.155 0.000 2.301 623 Y HA 0.130 4.575 4.550 -0.174 0.000 0.295 623 Y C 2.108 178.171 175.900 0.272 0.000 1.119 623 Y CA 1.552 59.776 58.100 0.207 0.000 1.162 623 Y CB -0.542 38.017 38.460 0.164 0.000 1.046 623 Y HN -0.030 nan 8.280 nan 0.000 0.538 624 G N 0.950 109.767 108.800 0.028 0.000 2.476 624 G HA2 -0.380 3.475 3.960 -0.175 0.000 0.218 624 G HA3 -0.380 3.475 3.960 -0.175 0.000 0.218 624 G C 1.781 176.653 174.900 -0.047 0.000 1.164 624 G CA 1.232 46.282 45.100 -0.083 0.000 0.768 624 G HN 0.426 nan 8.290 nan 0.000 0.560 625 K N -0.800 119.641 120.400 0.068 0.000 2.097 625 K HA -0.129 4.086 4.320 -0.175 0.000 0.205 625 K C 2.156 178.781 176.600 0.042 0.000 1.050 625 K CA 1.130 57.441 56.287 0.041 0.000 0.938 625 K CB -0.290 32.194 32.500 -0.027 0.000 0.718 625 K HN 0.476 nan 8.250 nan 0.000 0.442 626 W N 1.253 122.498 121.300 -0.091 0.000 2.381 626 W HA -0.197 4.359 4.660 -0.174 0.000 0.301 626 W C 1.663 178.105 176.519 -0.128 0.000 1.205 626 W CA 1.026 58.333 57.345 -0.063 0.000 1.285 626 W CB -0.380 29.099 29.460 0.031 0.000 1.133 626 W HN 0.098 nan 8.180 nan 0.000 0.521 627 L N 0.813 121.863 121.223 -0.290 0.000 2.017 627 L HA -0.249 3.986 4.340 -0.175 0.000 0.208 627 L C 2.384 179.018 176.870 -0.393 0.000 1.073 627 L CA 2.069 56.559 54.840 -0.584 0.000 0.745 627 L CB -0.813 40.913 42.059 -0.554 0.000 0.894 627 L HN -0.026 nan 8.230 nan 0.000 0.432 628 M N -1.149 118.359 119.600 -0.154 0.000 2.279 628 M HA -0.174 4.202 4.480 -0.175 0.000 0.264 628 M C 1.463 177.726 176.300 -0.062 0.000 1.062 628 M CA 1.313 56.603 55.300 -0.016 0.000 1.099 628 M CB -1.155 31.376 32.600 -0.115 0.000 1.394 628 M HN 0.285 nan 8.290 nan 0.000 0.426 629 D N -0.320 119.970 120.400 -0.183 0.000 2.327 629 D HA 0.038 4.574 4.640 -0.175 0.000 0.205 629 D C 1.485 177.632 176.300 -0.256 0.000 0.989 629 D CA 0.614 54.513 54.000 -0.168 0.000 0.873 629 D CB 0.175 40.906 40.800 -0.115 0.000 0.955 629 D HN 0.392 nan 8.370 nan 0.000 0.515 630 N N -0.189 118.196 118.700 -0.525 0.000 2.297 630 N HA 0.013 4.648 4.740 -0.175 0.000 0.208 630 N C 1.611 176.588 175.510 -0.888 0.000 1.176 630 N CA -0.080 52.603 53.050 -0.612 0.000 0.882 630 N CB 0.923 38.996 38.487 -0.689 0.000 1.134 630 N HN 0.051 nan 8.380 nan 0.000 0.489 631 L N 0.418 120.894 121.223 -1.245 0.000 2.072 631 L HA 0.152 4.387 4.340 -0.175 0.000 0.205 631 L C 1.463 177.459 176.870 -1.456 0.000 1.079 631 L CA 1.591 55.394 54.840 -1.729 0.000 0.752 631 L CB -0.417 40.567 42.059 -1.791 0.000 0.906 631 L HN -0.088 nan 8.230 nan 0.000 0.436 632 F N -0.898 118.584 119.950 -0.780 0.000 2.416 632 F HA 0.066 4.488 4.527 -0.175 0.000 0.296 632 F C 2.557 178.297 175.800 -0.100 0.000 1.099 632 F CA 0.632 58.373 58.000 -0.430 0.000 1.427 632 F CB -0.375 38.439 39.000 -0.309 0.000 1.079 632 F HN -0.049 nan 8.300 nan 0.000 0.536 633 R N 0.220 120.700 120.500 -0.033 0.000 2.189 633 R HA -0.069 4.166 4.340 -0.175 0.000 0.223 633 R C 1.967 178.251 176.300 -0.027 0.000 1.092 633 R CA 0.630 56.740 56.100 0.017 0.000 0.989 633 R CB -0.384 29.894 30.300 -0.036 0.000 0.876 633 R HN 0.147 nan 8.270 nan 0.000 0.457 634 V N 0.042 119.841 119.914 -0.192 0.000 2.379 634 V HA -0.196 3.820 4.120 -0.175 0.000 0.245 634 V C 1.685 177.818 176.094 0.066 0.000 1.044 634 V CA 1.488 63.715 62.300 -0.121 0.000 1.036 634 V CB -0.482 31.189 31.823 -0.255 0.000 0.664 634 V HN 0.201 nan 8.190 nan 0.000 0.453 635 F N -0.308 119.681 119.950 0.064 0.000 2.120 635 F HA -0.195 4.227 4.527 -0.174 0.000 0.300 635 F C 2.288 178.180 175.800 0.153 0.000 1.095 635 F CA 0.995 59.080 58.000 0.141 0.000 1.249 635 F CB -0.996 38.135 39.000 0.218 0.000 0.995 635 F HN 0.091 nan 8.300 nan 0.000 0.480 636 I N -0.209 120.533 120.570 0.287 0.000 2.202 636 I HA -0.241 3.825 4.170 -0.175 0.000 0.242 636 I C 2.546 178.735 176.117 0.121 0.000 1.091 636 I CA 1.154 62.525 61.300 0.118 0.000 1.368 636 I CB -1.215 36.793 38.000 0.014 0.000 1.058 636 I HN 0.075 nan 8.210 nan 0.000 0.410 637 R N 1.079 121.660 120.500 0.136 0.000 2.117 637 R HA -0.236 4.000 4.340 -0.175 0.000 0.243 637 R C 2.266 178.667 176.300 0.169 0.000 1.143 637 R CA 1.613 57.787 56.100 0.124 0.000 0.968 637 R CB -1.032 29.336 30.300 0.114 0.000 0.863 637 R HN 0.248 nan 8.270 nan 0.000 0.444 638 F N -0.114 119.893 119.950 0.094 0.000 2.234 638 F HA -0.083 4.339 4.527 -0.175 0.000 0.299 638 F C 1.699 177.557 175.800 0.096 0.000 1.087 638 F CA 1.208 59.268 58.000 0.101 0.000 1.340 638 F CB -0.096 38.981 39.000 0.129 0.000 1.031 638 F HN -0.109 nan 8.300 nan 0.000 0.500 639 V N 0.388 120.335 119.914 0.056 0.000 2.427 639 V HA -0.271 3.745 4.120 -0.175 0.000 0.248 639 V C 1.928 177.991 176.094 -0.050 0.000 1.051 639 V CA 2.129 64.410 62.300 -0.031 0.000 1.048 639 V CB -0.931 30.905 31.823 0.021 0.000 0.666 639 V HN 0.330 nan 8.190 nan 0.000 0.456 640 E N -0.076 120.112 120.200 -0.020 0.000 2.409 640 E HA -0.110 4.135 4.350 -0.175 0.000 0.198 640 E C 1.820 178.396 176.600 -0.040 0.000 1.024 640 E CA 0.606 56.998 56.400 -0.012 0.000 0.861 640 E CB -0.038 29.667 29.700 0.009 0.000 0.788 640 E HN 0.415 nan 8.360 nan 0.000 0.521 641 L N 0.011 121.167 121.223 -0.113 0.000 2.262 641 L HA -0.039 4.196 4.340 -0.175 0.000 0.197 641 L C 2.330 179.084 176.870 -0.194 0.000 1.073 641 L CA 1.065 55.821 54.840 -0.140 0.000 0.800 641 L CB -0.302 41.672 42.059 -0.143 0.000 0.987 641 L HN -0.046 nan 8.230 nan 0.000 0.470 642 Q N 0.860 120.420 119.800 -0.399 0.000 2.170 642 Q HA 0.112 4.347 4.340 -0.175 0.000 0.203 642 Q C 0.556 176.531 176.000 -0.041 0.000 0.976 642 Q CA 0.900 56.529 55.803 -0.290 0.000 0.858 642 Q CB -0.264 28.195 28.738 -0.465 0.000 0.907 642 Q HN 0.386 nan 8.270 nan 0.000 0.433 643 G N -0.260 108.542 108.800 0.003 0.000 3.295 643 G HA2 -0.200 3.656 3.960 -0.175 0.000 0.686 643 G HA3 -0.200 3.656 3.960 -0.175 0.000 0.686 643 G C -1.033 174.042 174.900 0.291 0.000 0.958 643 G CA -0.141 45.024 45.100 0.109 0.000 0.787 643 G HN 0.286 nan 8.290 nan 0.000 0.523 644 F N 2.926 122.927 119.950 0.085 0.000 2.562 644 F HA 0.768 5.190 4.527 -0.175 0.000 0.319 644 F C 0.350 176.113 175.800 -0.062 0.000 1.154 644 F CA 0.405 58.505 58.000 0.166 0.000 0.931 644 F CB 2.350 41.443 39.000 0.154 0.000 1.198 644 F HN 0.842 nan 8.300 nan 0.000 0.444 645 T N 4.261 118.305 114.554 -0.851 0.000 2.550 645 T HA 0.768 5.013 4.350 -0.175 0.000 0.256 645 T C -1.716 172.324 174.700 -1.099 0.000 0.866 645 T CA -0.513 61.070 62.100 -0.861 0.000 1.163 645 T CB 1.347 69.783 68.868 -0.720 0.000 1.460 645 T HN 0.681 nan 8.240 nan 0.000 0.498 646 M N 1.623 120.744 119.600 -0.799 0.000 2.333 646 M HA 0.557 4.932 4.480 -0.175 0.000 0.286 646 M C -2.063 174.056 176.300 -0.302 0.000 1.113 646 M CA -0.328 54.691 55.300 -0.469 0.000 0.959 646 M CB 1.529 33.989 32.600 -0.234 0.000 1.776 646 M HN 0.733 nan 8.290 nan 0.000 0.492 647 R N 3.640 124.047 120.500 -0.154 0.000 2.651 647 R HA 0.535 4.771 4.340 -0.175 0.000 0.278 647 R C -0.274 176.025 176.300 -0.002 0.000 1.010 647 R CA -1.036 55.023 56.100 -0.069 0.000 0.896 647 R CB 1.177 31.453 30.300 -0.039 0.000 1.211 647 R HN 0.860 nan 8.270 nan 0.000 0.456 648 L N 1.033 122.255 121.223 -0.001 0.000 2.261 648 L HA -0.164 4.072 4.340 -0.175 0.000 0.216 648 L C 1.184 178.076 176.870 0.035 0.000 1.114 648 L CA 1.781 56.632 54.840 0.019 0.000 0.777 648 L CB 0.007 42.075 42.059 0.015 0.000 0.910 648 L HN 0.761 nan 8.230 nan 0.000 0.440 649 E N -0.113 120.111 120.200 0.039 0.000 2.268 649 E HA -0.171 4.074 4.350 -0.175 0.000 0.195 649 E C 1.535 178.168 176.600 0.055 0.000 0.995 649 E CA 0.930 57.358 56.400 0.046 0.000 0.836 649 E CB -0.158 29.570 29.700 0.047 0.000 0.763 649 E HN 0.531 nan 8.360 nan 0.000 0.491 650 D N -0.863 119.581 120.400 0.073 0.000 2.312 650 D HA -0.065 4.470 4.640 -0.175 0.000 0.211 650 D C 1.294 177.642 176.300 0.080 0.000 0.964 650 D CA 0.563 54.615 54.000 0.087 0.000 0.877 650 D CB 0.354 41.231 40.800 0.128 0.000 0.924 650 D HN 0.122 nan 8.370 nan 0.000 0.515 651 V N -0.177 119.780 119.914 0.070 0.000 3.307 651 V HA 0.022 4.037 4.120 -0.175 0.000 0.244 651 V C 0.922 177.051 176.094 0.058 0.000 1.196 651 V CA 0.232 62.577 62.300 0.075 0.000 1.132 651 V CB 0.159 32.030 31.823 0.079 0.000 0.875 651 V HN 0.121 nan 8.190 nan 0.000 0.468 652 S N 2.919 118.648 115.700 0.049 0.000 2.455 652 S HA 0.414 4.779 4.470 -0.175 0.000 0.278 652 S C 0.382 174.998 174.600 0.028 0.000 1.216 652 S CA -0.385 57.837 58.200 0.038 0.000 1.055 652 S CB 0.621 63.844 63.200 0.037 0.000 0.939 652 S HN 0.496 nan 8.310 nan 0.000 0.494 653 L N 1.525 122.758 121.223 0.016 0.000 2.769 653 L HA 0.553 4.788 4.340 -0.175 0.000 0.240 653 L C 0.939 177.806 176.870 -0.005 0.000 1.163 653 L CA -0.864 53.980 54.840 0.007 0.000 0.962 653 L CB -0.850 41.207 42.059 -0.003 0.000 1.258 653 L HN 0.736 nan 8.230 nan 0.000 0.513 654 G N 0.919 109.723 108.800 0.006 0.000 2.241 654 G HA2 0.078 3.933 3.960 -0.175 0.000 0.235 654 G HA3 0.078 3.933 3.960 -0.175 0.000 0.235 654 G C -0.205 174.702 174.900 0.011 0.000 1.127 654 G CA 0.486 45.593 45.100 0.011 0.000 0.867 654 G HN 0.537 nan 8.290 nan 0.000 0.473 655 D N 0.576 120.987 120.400 0.018 0.000 10.944 655 D HA -0.200 4.335 4.640 -0.175 0.000 0.358 655 D C 0.804 177.104 176.300 0.001 0.000 3.120 655 D CA 1.643 55.662 54.000 0.031 0.000 2.629 655 D CB -0.326 40.497 40.800 0.038 0.000 1.169 655 D HN 0.985 nan 8.370 nan 0.000 0.937 656 D N -1.061 119.345 120.400 0.011 0.000 4.435 656 D HA -0.337 4.198 4.640 -0.175 0.000 0.221 656 D C 1.289 177.542 176.300 -0.078 0.000 1.021 656 D CA 3.246 57.239 54.000 -0.011 0.000 2.165 656 D CB -1.161 39.642 40.800 0.004 0.000 1.159 656 D HN 0.216 nan 8.370 nan 0.000 0.408 657 V N 0.381 120.223 119.914 -0.119 0.000 2.626 657 V HA -0.146 3.870 4.120 -0.175 0.000 0.252 657 V C 2.367 178.305 176.094 -0.260 0.000 1.067 657 V CA 2.142 64.288 62.300 -0.257 0.000 1.081 657 V CB -0.533 31.148 31.823 -0.237 0.000 0.686 657 V HN 0.332 nan 8.190 nan 0.000 0.468 658 K N 0.327 120.594 120.400 -0.222 0.000 2.152 658 K HA -0.207 4.008 4.320 -0.175 0.000 0.206 658 K C 2.117 178.400 176.600 -0.529 0.000 1.048 658 K CA 1.363 57.412 56.287 -0.397 0.000 0.933 658 K CB -0.197 32.093 32.500 -0.351 0.000 0.721 658 K HN 0.452 nan 8.250 nan 0.000 0.447 659 K N 0.736 121.017 120.400 -0.197 0.000 2.362 659 K HA -0.108 4.107 4.320 -0.175 0.000 0.200 659 K C 1.731 178.294 176.600 -0.062 0.000 1.046 659 K CA 0.807 57.095 56.287 0.001 0.000 0.952 659 K CB 0.110 32.654 32.500 0.073 0.000 0.753 659 K HN 0.250 nan 8.250 nan 0.000 0.466 660 E N 0.716 120.817 120.200 -0.165 0.000 2.072 660 E HA -0.151 4.094 4.350 -0.175 0.000 0.191 660 E C 1.913 178.443 176.600 -0.117 0.000 0.985 660 E CA 0.856 57.165 56.400 -0.153 0.000 0.801 660 E CB 0.041 29.589 29.700 -0.253 0.000 0.750 660 E HN 0.233 nan 8.360 nan 0.000 0.452 661 I N 0.371 120.827 120.570 -0.191 0.000 2.252 661 I HA -0.218 3.847 4.170 -0.175 0.000 0.245 661 I C 2.128 178.213 176.117 -0.055 0.000 1.102 661 I CA 1.324 62.533 61.300 -0.152 0.000 1.385 661 I CB -1.237 36.612 38.000 -0.252 0.000 1.064 661 I HN 0.103 nan 8.210 nan 0.000 0.414 662 Y N 1.088 121.384 120.300 -0.006 0.000 2.352 662 Y HA -0.138 4.307 4.550 -0.175 0.000 0.292 662 Y C 2.405 178.291 175.900 -0.022 0.000 1.136 662 Y CA 0.876 58.967 58.100 -0.015 0.000 1.227 662 Y CB -1.111 37.333 38.460 -0.027 0.000 0.991 662 Y HN 0.265 nan 8.280 nan 0.000 0.545 663 N N -0.040 118.727 118.700 0.111 0.000 2.463 663 N HA -0.101 4.535 4.740 -0.175 0.000 0.181 663 N C 1.513 177.043 175.510 0.035 0.000 1.078 663 N CA 0.633 53.715 53.050 0.054 0.000 0.902 663 N CB 0.114 38.615 38.487 0.025 0.000 0.970 663 N HN 0.268 nan 8.380 nan 0.000 0.451 664 E N -0.335 119.888 120.200 0.039 0.000 2.340 664 E HA 0.115 4.360 4.350 -0.175 0.000 0.198 664 E C 1.755 178.391 176.600 0.060 0.000 0.961 664 E CA 0.290 56.710 56.400 0.034 0.000 0.905 664 E CB -0.076 29.637 29.700 0.022 0.000 0.884 664 E HN 0.521 nan 8.360 nan 0.000 0.491 665 I N -0.518 120.114 120.570 0.104 0.000 2.286 665 I HA -0.071 3.994 4.170 -0.175 0.000 0.245 665 I C 1.306 177.457 176.117 0.057 0.000 1.104 665 I CA 1.671 63.065 61.300 0.156 0.000 1.397 665 I CB -0.533 37.607 38.000 0.234 0.000 1.072 665 I HN -0.076 nan 8.210 nan 0.000 0.417 666 D N 0.481 120.886 120.400 0.009 0.000 2.317 666 D HA -0.144 4.391 4.640 -0.175 0.000 0.211 666 D C 2.215 178.507 176.300 -0.013 0.000 0.966 666 D CA 0.506 54.491 54.000 -0.024 0.000 0.876 666 D CB -0.443 40.334 40.800 -0.039 0.000 0.927 666 D HN 0.352 nan 8.370 nan 0.000 0.519 667 R N 0.233 120.732 120.500 -0.001 0.000 2.115 667 R HA 0.081 4.316 4.340 -0.175 0.000 0.230 667 R C 1.990 178.283 176.300 -0.013 0.000 1.111 667 R CA 1.118 57.215 56.100 -0.006 0.000 0.976 667 R CB -0.116 30.184 30.300 0.000 0.000 0.870 667 R HN 0.270 nan 8.270 nan 0.000 0.445 668 A N 0.806 123.619 122.820 -0.011 0.000 1.970 668 A HA -0.088 4.127 4.320 -0.175 0.000 0.216 668 A C 1.833 179.393 177.584 -0.041 0.000 1.170 668 A CA 0.986 53.003 52.037 -0.033 0.000 0.645 668 A CB -0.102 18.871 19.000 -0.045 0.000 0.816 668 A HN 0.229 nan 8.150 nan 0.000 0.447 669 K N 0.027 120.411 120.400 -0.026 0.000 2.057 669 K HA -0.112 4.103 4.320 -0.175 0.000 0.207 669 K C 1.762 178.343 176.600 -0.033 0.000 1.049 669 K CA 1.647 57.915 56.287 -0.031 0.000 0.931 669 K CB -0.421 32.055 32.500 -0.040 0.000 0.714 669 K HN 0.511 nan 8.250 nan 0.000 0.440 670 V N -0.941 118.956 119.914 -0.028 0.000 3.141 670 V HA -0.083 3.933 4.120 -0.175 0.000 0.265 670 V C 1.739 177.818 176.094 -0.025 0.000 1.126 670 V CA 1.491 63.776 62.300 -0.025 0.000 1.141 670 V CB -0.335 31.476 31.823 -0.021 0.000 0.743 670 V HN 0.249 nan 8.190 nan 0.000 0.492 671 E N 0.300 120.482 120.200 -0.030 0.000 2.371 671 E HA -0.027 4.219 4.350 -0.175 0.000 0.194 671 E C 1.737 178.316 176.600 -0.035 0.000 1.012 671 E CA 0.898 57.278 56.400 -0.033 0.000 0.860 671 E CB 0.386 30.064 29.700 -0.037 0.000 0.811 671 E HN 0.604 nan 8.360 nan 0.000 0.502 672 V N 0.630 120.523 119.914 -0.035 0.000 2.672 672 V HA -0.112 3.903 4.120 -0.175 0.000 0.242 672 V C 1.851 177.937 176.094 -0.014 0.000 1.059 672 V CA 1.025 63.309 62.300 -0.028 0.000 1.081 672 V CB -0.317 31.481 31.823 -0.042 0.000 0.752 672 V HN 0.194 nan 8.190 nan 0.000 0.472 673 D N 1.988 122.379 120.400 -0.015 0.000 2.137 673 D HA -0.216 4.319 4.640 -0.175 0.000 0.189 673 D C 1.917 178.219 176.300 0.003 0.000 0.998 673 D CA 2.133 56.130 54.000 -0.005 0.000 0.839 673 D CB -0.338 40.455 40.800 -0.011 0.000 0.962 673 D HN 0.604 nan 8.370 nan 0.000 0.446 674 N N 0.961 119.658 118.700 -0.005 0.000 2.512 674 N HA -0.122 4.513 4.740 -0.175 0.000 0.183 674 N C 1.984 177.493 175.510 -0.001 0.000 1.073 674 N CA 0.325 53.373 53.050 -0.004 0.000 0.911 674 N CB -0.830 37.650 38.487 -0.012 0.000 0.964 674 N HN 0.301 nan 8.380 nan 0.000 0.447 675 L N -0.320 120.901 121.223 -0.003 0.000 2.270 675 L HA 0.076 4.311 4.340 -0.175 0.000 0.210 675 L C 1.830 178.729 176.870 0.048 0.000 1.104 675 L CA 0.410 55.249 54.840 -0.001 0.000 0.804 675 L CB -0.074 41.974 42.059 -0.019 0.000 0.937 675 L HN -0.002 nan 8.230 nan 0.000 0.450 676 I N -0.085 120.516 120.570 0.052 0.000 2.163 676 I HA -0.287 3.779 4.170 -0.175 0.000 0.240 676 I C 2.282 178.480 176.117 0.134 0.000 1.081 676 I CA 1.540 62.896 61.300 0.094 0.000 1.353 676 I CB -1.039 37.000 38.000 0.064 0.000 1.054 676 I HN 0.398 nan 8.210 nan 0.000 0.407 677 Q N 0.126 119.971 119.800 0.075 0.000 2.436 677 Q HA -0.117 4.118 4.340 -0.175 0.000 0.209 677 Q C 2.088 178.114 176.000 0.043 0.000 0.965 677 Q CA 0.633 56.468 55.803 0.054 0.000 0.910 677 Q CB 0.086 28.839 28.738 0.025 0.000 0.980 677 Q HN 0.415 nan 8.270 nan 0.000 0.491 678 K N -0.025 120.405 120.400 0.051 0.000 2.026 678 K HA -0.201 4.014 4.320 -0.175 0.000 0.208 678 K C 1.896 178.541 176.600 0.075 0.000 1.048 678 K CA 1.390 57.700 56.287 0.039 0.000 0.929 678 K CB -0.149 32.362 32.500 0.018 0.000 0.713 678 K HN 0.227 nan 8.250 nan 0.000 0.439 679 Y N 1.784 122.090 120.300 0.010 0.000 2.242 679 Y HA -0.143 4.289 4.550 -0.196 0.000 0.291 679 Y C 1.365 177.276 175.900 0.019 0.000 1.137 679 Y CA 1.518 59.634 58.100 0.027 0.000 1.181 679 Y CB 0.139 38.627 38.460 0.048 0.000 0.989 679 Y HN -0.138 nan 8.280 nan 0.000 0.527 680 K N 0.653 121.017 120.400 -0.061 0.000 2.525 680 K HA -0.013 4.203 4.320 -0.175 0.000 0.192 680 K C -0.073 176.443 176.600 -0.139 0.000 1.029 680 K CA 0.152 56.344 56.287 -0.157 0.000 1.029 680 K CB -0.058 32.436 32.500 -0.010 0.000 0.814 680 K HN 0.369 nan 8.250 nan 0.000 0.503 681 N N -1.290 117.343 118.700 -0.113 0.000 3.470 681 N HA 0.165 4.800 4.740 -0.175 0.000 0.361 681 N C 0.841 176.302 175.510 -0.083 0.000 1.536 681 N CA -0.231 52.770 53.050 -0.082 0.000 0.642 681 N CB -0.446 38.015 38.487 -0.045 0.000 2.002 681 N HN -0.007 nan 8.380 nan 0.000 0.620 682 G N 0.663 109.431 108.800 -0.052 0.000 2.679 682 G HA2 -0.122 3.733 3.960 -0.175 0.000 0.185 682 G HA3 -0.122 3.733 3.960 -0.175 0.000 0.185 682 G C -0.332 174.549 174.900 -0.031 0.000 1.656 682 G CA 0.399 45.475 45.100 -0.041 0.000 0.892 682 G HN 0.683 nan 8.290 nan 0.000 0.389 683 E N 1.155 121.343 120.200 -0.020 0.000 1.396 683 E HA -0.232 4.014 4.350 -0.175 0.000 0.169 683 E C 1.386 177.986 176.600 -0.001 0.000 0.987 683 E CA 0.454 56.846 56.400 -0.014 0.000 0.486 683 E CB -1.316 28.373 29.700 -0.019 0.000 1.040 683 E HN 0.320 nan 8.360 nan 0.000 0.254 684 L N 0.717 121.947 121.223 0.012 0.000 2.046 684 L HA -0.120 4.116 4.340 -0.175 0.000 0.208 684 L C 1.064 177.986 176.870 0.086 0.000 1.077 684 L CA 1.697 56.571 54.840 0.057 0.000 0.747 684 L CB -0.709 41.383 42.059 0.054 0.000 0.896 684 L HN 0.313 nan 8.230 nan 0.000 0.432 685 E N 0.113 120.344 120.200 0.052 0.000 2.393 685 E HA -0.175 4.070 4.350 -0.175 0.000 0.169 685 E C -2.194 174.522 176.600 0.193 0.000 1.591 685 E CA -0.210 56.225 56.400 0.059 0.000 0.661 685 E CB -1.211 28.446 29.700 -0.073 0.000 1.097 685 E HN 0.302 nan 8.360 nan 0.000 0.356 686 P HA 0.279 nan 4.420 nan 0.000 0.288 686 P C 0.021 177.412 177.300 0.152 0.000 1.267 686 P CA -0.267 62.935 63.100 0.170 0.000 0.815 686 P CB 0.687 32.450 31.700 0.106 0.000 0.989 687 I N 4.888 125.524 120.570 0.110 0.000 2.325 687 I HA 0.191 4.256 4.170 -0.175 0.000 0.291 687 I C -1.442 174.687 176.117 0.020 0.000 1.019 687 I CA -2.093 59.236 61.300 0.048 0.000 1.302 687 I CB 0.826 38.783 38.000 -0.072 0.000 1.401 687 I HN 0.176 nan 8.210 nan 0.000 0.485 688 P HA 0.082 nan 4.420 nan 0.000 0.237 688 P C 0.579 177.881 177.300 0.002 0.000 1.701 688 P CA 0.275 63.384 63.100 0.016 0.000 0.955 688 P CB 0.131 31.843 31.700 0.020 0.000 1.937 689 G N 0.409 109.203 108.800 -0.009 0.000 2.613 689 G HA2 0.082 3.937 3.960 -0.175 0.000 0.208 689 G HA3 0.082 3.937 3.960 -0.175 0.000 0.208 689 G C 1.359 176.248 174.900 -0.019 0.000 1.318 689 G CA 0.156 45.244 45.100 -0.019 0.000 0.559 689 G HN 0.259 nan 8.290 nan 0.000 1.015 690 R N -0.965 119.521 120.500 -0.024 0.000 5.324 690 R HA 0.363 4.598 4.340 -0.175 0.000 0.103 690 R C -0.539 175.758 176.300 -0.006 0.000 0.980 690 R CA 1.082 57.172 56.100 -0.017 0.000 0.877 690 R CB 0.125 30.408 30.300 -0.028 0.000 1.354 690 R HN 0.213 nan 8.270 nan 0.000 0.391 691 T N 0.723 115.271 114.554 -0.010 0.000 2.906 691 T HA 0.361 4.606 4.350 -0.175 0.000 0.295 691 T C 0.508 175.228 174.700 0.033 0.000 1.061 691 T CA -0.594 61.514 62.100 0.013 0.000 1.000 691 T CB 2.002 70.878 68.868 0.013 0.000 1.103 691 T HN 0.047 nan 8.240 nan 0.000 0.486 692 L N 0.931 122.200 121.223 0.078 0.000 2.056 692 L HA 0.009 4.244 4.340 -0.175 0.000 0.207 692 L C 2.487 179.473 176.870 0.194 0.000 1.078 692 L CA 1.706 56.633 54.840 0.146 0.000 0.749 692 L CB -0.632 41.523 42.059 0.161 0.000 0.901 692 L HN 0.721 nan 8.230 nan 0.000 0.433 693 E N -0.623 119.667 120.200 0.149 0.000 2.112 693 E HA -0.201 4.045 4.350 -0.175 0.000 0.190 693 E C 2.038 178.577 176.600 -0.102 0.000 0.979 693 E CA 0.809 57.224 56.400 0.023 0.000 0.814 693 E CB -0.052 29.690 29.700 0.070 0.000 0.762 693 E HN 0.510 nan 8.360 nan 0.000 0.460 694 E N 0.908 121.079 120.200 -0.048 0.000 2.152 694 E HA -0.135 4.110 4.350 -0.175 0.000 0.192 694 E C 2.091 178.616 176.600 -0.124 0.000 0.983 694 E CA 1.135 57.490 56.400 -0.076 0.000 0.818 694 E CB 0.148 29.818 29.700 -0.050 0.000 0.758 694 E HN 0.187 nan 8.360 nan 0.000 0.467 695 S N 1.214 116.838 115.700 -0.127 0.000 2.399 695 S HA -0.145 4.220 4.470 -0.175 0.000 0.231 695 S C 2.091 176.507 174.600 -0.307 0.000 1.022 695 S CA 0.614 58.648 58.200 -0.277 0.000 0.983 695 S CB -0.371 62.728 63.200 -0.168 0.000 0.803 695 S HN 0.333 nan 8.310 nan 0.000 0.480 696 L N 1.549 122.740 121.223 -0.054 0.000 2.046 696 L HA -0.078 4.157 4.340 -0.175 0.000 0.208 696 L C 2.448 179.311 176.870 -0.013 0.000 1.077 696 L CA 2.138 57.006 54.840 0.047 0.000 0.747 696 L CB -1.058 40.864 42.059 -0.228 0.000 0.896 696 L HN 0.325 nan 8.230 nan 0.000 0.432 697 E N -0.099 120.041 120.200 -0.100 0.000 2.106 697 E HA -0.219 4.026 4.350 -0.175 0.000 0.192 697 E C 1.919 178.469 176.600 -0.083 0.000 0.984 697 E CA 0.897 57.252 56.400 -0.076 0.000 0.806 697 E CB -0.352 29.302 29.700 -0.077 0.000 0.750 697 E HN 0.624 nan 8.360 nan 0.000 0.458 698 N N 0.193 118.791 118.700 -0.169 0.000 2.061 698 N HA -0.204 4.431 4.740 -0.175 0.000 0.193 698 N C 1.754 177.181 175.510 -0.139 0.000 1.030 698 N CA 1.192 54.119 53.050 -0.205 0.000 0.856 698 N CB -0.059 38.223 38.487 -0.341 0.000 1.023 698 N HN 0.117 nan 8.380 nan 0.000 0.424 699 Y N 1.364 121.647 120.300 -0.029 0.000 2.145 699 Y HA -0.051 4.392 4.550 -0.178 0.000 0.286 699 Y C 2.435 178.312 175.900 -0.039 0.000 1.145 699 Y CA 0.783 58.867 58.100 -0.027 0.000 1.148 699 Y CB -0.592 37.855 38.460 -0.020 0.000 0.981 699 Y HN 0.062 nan 8.280 nan 0.000 0.507 700 I N -0.481 120.158 120.570 0.114 0.000 2.286 700 I HA -0.305 3.760 4.170 -0.175 0.000 0.248 700 I C 2.024 178.134 176.117 -0.012 0.000 1.115 700 I CA 1.234 62.549 61.300 0.026 0.000 1.392 700 I CB -0.517 37.482 38.000 -0.003 0.000 1.065 700 I HN 0.187 nan 8.210 nan 0.000 0.418 701 L N 0.107 121.325 121.223 -0.008 0.000 2.131 701 L HA -0.221 4.014 4.340 -0.175 0.000 0.210 701 L C 2.155 179.021 176.870 -0.008 0.000 1.092 701 L CA 1.210 56.041 54.840 -0.015 0.000 0.759 701 L CB -0.567 41.481 42.059 -0.018 0.000 0.903 701 L HN 0.246 nan 8.230 nan 0.000 0.435 702 D N -0.641 119.766 120.400 0.011 0.000 2.162 702 D HA -0.125 4.411 4.640 -0.175 0.000 0.203 702 D C 2.078 178.379 176.300 0.003 0.000 0.967 702 D CA 1.295 55.306 54.000 0.018 0.000 0.840 702 D CB 0.174 41.005 40.800 0.051 0.000 0.972 702 D HN 0.110 nan 8.370 nan 0.000 0.482 703 T N 0.310 114.862 114.554 -0.004 0.000 2.746 703 T HA -0.069 4.176 4.350 -0.175 0.000 0.267 703 T C 2.078 176.728 174.700 -0.084 0.000 1.039 703 T CA 0.726 62.805 62.100 -0.036 0.000 1.142 703 T CB -0.220 68.624 68.868 -0.039 0.000 0.866 703 T HN 0.151 nan 8.240 nan 0.000 0.444 704 L N 0.665 121.817 121.223 -0.120 0.000 2.217 704 L HA -0.033 4.202 4.340 -0.175 0.000 0.211 704 L C 2.472 179.303 176.870 -0.064 0.000 1.107 704 L CA 1.060 55.775 54.840 -0.209 0.000 0.783 704 L CB -0.389 41.514 42.059 -0.259 0.000 0.919 704 L HN 0.208 nan 8.230 nan 0.000 0.442 705 D N -0.033 120.357 120.400 -0.017 0.000 2.137 705 D HA -0.155 4.380 4.640 -0.175 0.000 0.202 705 D C 2.177 178.482 176.300 0.009 0.000 0.970 705 D CA 0.989 54.998 54.000 0.015 0.000 0.837 705 D CB 0.234 41.042 40.800 0.012 0.000 0.981 705 D HN -0.117 nan 8.370 nan 0.000 0.475 706 K N -0.200 120.197 120.400 -0.005 0.000 2.147 706 K HA -0.003 4.212 4.320 -0.175 0.000 0.205 706 K C 1.264 177.860 176.600 -0.006 0.000 1.049 706 K CA 0.580 56.866 56.287 -0.003 0.000 0.936 706 K CB -0.057 32.440 32.500 -0.005 0.000 0.722 706 K HN 0.322 nan 8.250 nan 0.000 0.446 707 L N 1.025 122.232 121.223 -0.027 0.000 2.928 707 L HA 0.159 4.394 4.340 -0.175 0.000 0.246 707 L C 1.401 178.277 176.870 0.010 0.000 1.239 707 L CA -0.215 54.609 54.840 -0.027 0.000 1.035 707 L CB 0.194 42.210 42.059 -0.071 0.000 1.360 707 L HN 0.013 nan 8.230 nan 0.000 0.529 708 R N -1.747 118.784 120.500 0.052 0.000 2.257 708 R HA 0.080 4.315 4.340 -0.175 0.000 0.195 708 R C 1.945 178.279 176.300 0.058 0.000 0.921 708 R CA 0.930 57.098 56.100 0.113 0.000 1.069 708 R CB -0.710 29.699 30.300 0.181 0.000 1.115 708 R HN 0.105 nan 8.270 nan 0.000 0.571 709 S N -0.158 115.565 115.700 0.039 0.000 2.428 709 S HA -0.065 4.300 4.470 -0.175 0.000 0.230 709 S C 1.507 176.127 174.600 0.032 0.000 1.014 709 S CA 1.148 59.366 58.200 0.030 0.000 0.957 709 S CB -0.600 62.614 63.200 0.023 0.000 0.784 709 S HN 0.359 nan 8.310 nan 0.000 0.499 710 T N 2.764 117.337 114.554 0.031 0.000 2.788 710 T HA 0.078 4.324 4.350 -0.175 0.000 0.268 710 T C 2.151 176.871 174.700 0.032 0.000 1.044 710 T CA 1.321 63.439 62.100 0.030 0.000 1.139 710 T CB -0.671 68.211 68.868 0.023 0.000 0.867 710 T HN 0.626 nan 8.240 nan 0.000 0.454 711 A N 1.273 124.114 122.820 0.035 0.000 2.015 711 A HA 0.217 4.432 4.320 -0.175 0.000 0.219 711 A C 2.578 180.179 177.584 0.028 0.000 1.163 711 A CA 1.537 53.590 52.037 0.026 0.000 0.646 711 A CB -1.131 17.891 19.000 0.036 0.000 0.806 711 A HN 0.510 nan 8.150 nan 0.000 0.448 712 G N -0.306 108.515 108.800 0.036 0.000 2.403 712 G HA2 -0.158 3.697 3.960 -0.175 0.000 0.216 712 G HA3 -0.158 3.697 3.960 -0.175 0.000 0.216 712 G C 1.088 176.028 174.900 0.066 0.000 1.154 712 G CA 1.126 46.254 45.100 0.046 0.000 0.784 712 G HN 0.440 nan 8.290 nan 0.000 0.538 713 D N 0.682 121.118 120.400 0.060 0.000 2.097 713 D HA -0.058 4.478 4.640 -0.175 0.000 0.197 713 D C 2.524 178.881 176.300 0.096 0.000 0.984 713 D CA 0.472 54.517 54.000 0.074 0.000 0.826 713 D CB -0.166 40.671 40.800 0.061 0.000 0.973 713 D HN 0.364 nan 8.370 nan 0.000 0.460 714 I N 0.700 121.318 120.570 0.081 0.000 2.226 714 I HA -0.201 3.864 4.170 -0.175 0.000 0.245 714 I C 1.948 178.134 176.117 0.115 0.000 1.100 714 I CA 1.061 62.419 61.300 0.097 0.000 1.374 714 I CB -0.190 37.808 38.000 -0.003 0.000 1.057 714 I HN -0.073 nan 8.210 nan 0.000 0.413 715 A N -0.921 121.943 122.820 0.075 0.000 2.327 715 A HA 0.142 4.358 4.320 -0.175 0.000 0.228 715 A C 1.975 179.615 177.584 0.093 0.000 1.275 715 A CA 0.578 52.657 52.037 0.070 0.000 0.875 715 A CB -0.214 18.813 19.000 0.046 0.000 0.925 715 A HN 0.310 nan 8.150 nan 0.000 0.493 716 S N -1.346 114.422 115.700 0.113 0.000 2.593 716 S HA 0.118 4.483 4.470 -0.175 0.000 0.235 716 S C 1.471 176.088 174.600 0.027 0.000 1.059 716 S CA 0.246 58.529 58.200 0.138 0.000 0.953 716 S CB 0.315 63.663 63.200 0.247 0.000 0.897 716 S HN 0.477 nan 8.310 nan 0.000 0.507 717 K N -0.065 120.369 120.400 0.056 0.000 2.365 717 K HA 0.345 4.560 4.320 -0.175 0.000 0.195 717 K C 0.389 176.922 176.600 -0.112 0.000 1.079 717 K CA 0.417 56.693 56.287 -0.018 0.000 0.979 717 K CB -0.019 32.485 32.500 0.006 0.000 0.929 717 K HN 0.229 nan 8.250 nan 0.000 0.523 718 Y N 0.240 120.514 120.300 -0.043 0.000 2.461 718 Y HA 0.290 4.735 4.550 -0.174 0.000 0.277 718 Y C 0.087 175.945 175.900 -0.070 0.000 1.182 718 Y CA -0.133 57.939 58.100 -0.046 0.000 1.276 718 Y CB 0.426 38.866 38.460 -0.032 0.000 1.087 718 Y HN -0.083 nan 8.280 nan 0.000 0.519 719 L N -0.160 121.050 121.223 -0.022 0.000 2.362 719 L HA 0.370 4.605 4.340 -0.175 0.000 0.271 719 L C -0.552 176.169 176.870 -0.248 0.000 1.002 719 L CA -1.139 53.635 54.840 -0.109 0.000 0.818 719 L CB 1.180 43.168 42.059 -0.118 0.000 1.298 719 L HN -0.178 nan 8.230 nan 0.000 0.420 720 D N 5.086 125.382 120.400 -0.173 0.000 2.554 720 D HA -0.012 4.523 4.640 -0.175 0.000 0.251 720 D C -1.789 174.328 176.300 -0.304 0.000 1.213 720 D CA -0.935 52.979 54.000 -0.144 0.000 0.900 720 D CB 1.201 41.973 40.800 -0.047 0.000 1.135 720 D HN 0.275 nan 8.370 nan 0.000 0.522 721 P HA -0.004 nan 4.420 nan 0.000 0.230 721 P C 0.406 177.649 177.300 -0.094 0.000 1.158 721 P CA 0.704 63.649 63.100 -0.258 0.000 0.769 721 P CB 0.104 31.794 31.700 -0.017 0.000 0.807 722 F N -0.804 119.115 119.950 -0.051 0.000 2.661 722 F HA 0.152 4.574 4.527 -0.175 0.000 0.306 722 F C 1.182 176.922 175.800 -0.099 0.000 1.094 722 F CA -0.713 57.275 58.000 -0.020 0.000 1.254 722 F CB -0.197 38.788 39.000 -0.026 0.000 1.040 722 F HN -0.105 nan 8.300 nan 0.000 0.562 723 N N -0.355 118.364 118.700 0.032 0.000 2.503 723 N HA 0.005 4.641 4.740 -0.175 0.000 0.267 723 N C 0.853 176.349 175.510 -0.024 0.000 1.214 723 N CA -0.364 52.650 53.050 -0.060 0.000 0.959 723 N CB 0.753 39.265 38.487 0.043 0.000 1.142 723 N HN -0.019 nan 8.380 nan 0.000 0.455 724 F N 0.870 120.805 119.950 -0.025 0.000 2.063 724 F HA -0.292 4.130 4.527 -0.175 0.000 0.298 724 F C 2.694 178.484 175.800 -0.017 0.000 1.105 724 F CA 2.216 60.128 58.000 -0.148 0.000 1.215 724 F CB -0.815 37.923 39.000 -0.436 0.000 0.972 724 F HN 0.704 nan 8.300 nan 0.000 0.483 725 A N -1.664 121.285 122.820 0.215 0.000 2.015 725 A HA -0.209 4.007 4.320 -0.175 0.000 0.219 725 A C 1.995 179.674 177.584 0.158 0.000 1.163 725 A CA 1.329 53.462 52.037 0.160 0.000 0.646 725 A CB -1.169 17.912 19.000 0.134 0.000 0.806 725 A HN 0.535 nan 8.150 nan 0.000 0.448 726 Y N -0.568 119.748 120.300 0.026 0.000 2.420 726 Y HA 0.022 4.467 4.550 -0.175 0.000 0.292 726 Y C 2.208 178.067 175.900 -0.069 0.000 1.119 726 Y CA 1.127 59.215 58.100 -0.021 0.000 1.229 726 Y CB 0.260 38.701 38.460 -0.031 0.000 1.026 726 Y HN 0.072 nan 8.280 nan 0.000 0.554 727 V N -0.236 119.721 119.914 0.071 0.000 2.667 727 V HA -0.296 3.719 4.120 -0.175 0.000 0.252 727 V C 2.230 178.287 176.094 -0.061 0.000 1.065 727 V CA 1.665 63.927 62.300 -0.063 0.000 1.083 727 V CB -0.502 31.336 31.823 0.025 0.000 0.692 727 V HN 0.404 nan 8.190 nan 0.000 0.468 728 M N 0.317 119.967 119.600 0.083 0.000 2.082 728 M HA -0.064 4.311 4.480 -0.175 0.000 0.258 728 M C 1.317 177.588 176.300 -0.049 0.000 1.071 728 M CA 1.895 57.246 55.300 0.086 0.000 1.103 728 M CB -0.525 32.154 32.600 0.130 0.000 1.307 728 M HN 0.340 nan 8.290 nan 0.000 0.409 729 A N -0.893 121.861 122.820 -0.111 0.000 2.327 729 A HA 0.357 4.572 4.320 -0.175 0.000 0.255 729 A C 0.825 178.267 177.584 -0.236 0.000 1.099 729 A CA 0.170 52.101 52.037 -0.178 0.000 0.801 729 A CB 0.121 18.977 19.000 -0.240 0.000 1.062 729 A HN 0.610 nan 8.150 nan 0.000 0.496 730 R N -1.962 118.415 120.500 -0.205 0.000 3.884 730 R HA -0.173 4.063 4.340 -0.175 0.000 0.464 730 R C 0.257 176.455 176.300 -0.170 0.000 0.963 730 R CA 1.772 57.759 56.100 -0.189 0.000 1.408 730 R CB -2.458 27.695 30.300 -0.245 0.000 2.054 730 R HN 1.300 nan 8.270 nan 0.000 0.522 731 T N -3.068 111.377 114.554 -0.182 0.000 3.839 731 T HA 0.487 4.732 4.350 -0.175 0.000 0.230 731 T C 0.804 175.450 174.700 -0.090 0.000 1.095 731 T CA 0.648 62.657 62.100 -0.151 0.000 1.470 731 T CB 1.026 69.707 68.868 -0.313 0.000 0.881 731 T HN 0.658 nan 8.240 nan 0.000 0.637 732 G N 2.461 111.225 108.800 -0.060 0.000 2.651 732 G HA2 0.042 3.898 3.960 -0.175 0.000 0.315 732 G HA3 0.042 3.898 3.960 -0.175 0.000 0.315 732 G C 0.705 175.585 174.900 -0.034 0.000 1.258 732 G CA 1.048 46.127 45.100 -0.035 0.000 1.002 732 G HN 2.238 nan 8.290 nan 0.000 0.551 733 A N -0.504 122.307 122.820 -0.015 0.000 1.999 733 A HA -0.014 4.201 4.320 -0.175 0.000 0.261 733 A C 1.111 178.704 177.584 0.016 0.000 1.316 733 A CA 2.446 54.483 52.037 0.001 0.000 0.752 733 A CB -1.371 17.616 19.000 -0.022 0.000 1.166 733 A HN 2.005 nan 8.150 nan 0.000 0.311 734 R N -1.709 118.800 120.500 0.014 0.000 2.485 734 R HA -0.233 4.002 4.340 -0.175 0.000 0.271 734 R C 1.242 177.546 176.300 0.006 0.000 0.970 734 R CA 1.023 57.130 56.100 0.013 0.000 0.849 734 R CB -1.361 28.955 30.300 0.026 0.000 2.213 734 R HN 1.356 nan 8.270 nan 0.000 0.527 735 G N -0.184 108.606 108.800 -0.016 0.000 2.834 735 G HA2 -0.007 3.848 3.960 -0.175 0.000 0.204 735 G HA3 -0.007 3.848 3.960 -0.175 0.000 0.204 735 G C 0.231 175.109 174.900 -0.038 0.000 1.176 735 G CA 0.580 45.659 45.100 -0.036 0.000 0.818 735 G HN 0.613 nan 8.290 nan 0.000 0.638 736 S N -0.357 115.320 115.700 -0.040 0.000 3.783 736 S HA -0.245 4.121 4.470 -0.175 0.000 0.360 736 S C 1.876 176.452 174.600 -0.039 0.000 1.006 736 S CA 1.176 59.358 58.200 -0.030 0.000 1.115 736 S CB -1.924 61.270 63.200 -0.010 0.000 0.893 736 S HN 1.800 nan 8.310 nan 0.000 0.475 737 V N -0.884 118.986 119.914 -0.072 0.000 2.354 737 V HA -0.306 3.709 4.120 -0.175 0.000 0.250 737 V C 1.659 177.729 176.094 -0.041 0.000 1.088 737 V CA 2.361 64.608 62.300 -0.089 0.000 1.104 737 V CB -0.946 30.824 31.823 -0.089 0.000 0.847 737 V HN 0.695 nan 8.190 nan 0.000 0.468 738 L N 2.429 123.640 121.223 -0.020 0.000 2.737 738 L HA 0.241 4.477 4.340 -0.175 0.000 0.236 738 L C 1.431 178.309 176.870 0.012 0.000 1.219 738 L CA 1.271 56.110 54.840 -0.001 0.000 1.021 738 L CB -0.840 41.217 42.059 -0.003 0.000 1.291 738 L HN 0.951 nan 8.230 nan 0.000 0.470 739 N N -1.689 117.024 118.700 0.022 0.000 2.145 739 N HA -0.032 4.604 4.740 -0.175 0.000 0.219 739 N C 1.258 176.812 175.510 0.073 0.000 1.266 739 N CA -0.094 52.988 53.050 0.054 0.000 0.902 739 N CB 0.180 38.699 38.487 0.055 0.000 1.078 739 N HN -0.022 nan 8.380 nan 0.000 0.513 740 I N 1.798 122.399 120.570 0.052 0.000 2.252 740 I HA -0.136 3.929 4.170 -0.175 0.000 0.245 740 I C 1.632 177.802 176.117 0.087 0.000 1.102 740 I CA 1.185 62.533 61.300 0.081 0.000 1.385 740 I CB -1.438 36.612 38.000 0.084 0.000 1.064 740 I HN 0.134 nan 8.210 nan 0.000 0.414 741 T N 0.773 115.364 114.554 0.062 0.000 2.665 741 T HA -0.256 3.989 4.350 -0.175 0.000 0.268 741 T C 1.911 176.618 174.700 0.011 0.000 1.035 741 T CA 1.475 63.598 62.100 0.039 0.000 1.151 741 T CB -0.274 68.607 68.868 0.021 0.000 0.862 741 T HN 0.403 nan 8.240 nan 0.000 0.438 742 Q N 0.050 119.864 119.800 0.024 0.000 2.084 742 Q HA -0.019 4.216 4.340 -0.175 0.000 0.202 742 Q C 2.433 178.480 176.000 0.078 0.000 0.978 742 Q CA 1.292 57.094 55.803 -0.002 0.000 0.844 742 Q CB -0.238 28.576 28.738 0.126 0.000 0.898 742 Q HN 0.563 nan 8.270 nan 0.000 0.426 743 M N -0.895 118.833 119.600 0.212 0.000 2.254 743 M HA -0.076 4.299 4.480 -0.175 0.000 0.265 743 M C 2.085 178.461 176.300 0.126 0.000 1.066 743 M CA 1.227 56.681 55.300 0.257 0.000 1.123 743 M CB -0.030 32.684 32.600 0.192 0.000 1.388 743 M HN 0.190 nan 8.290 nan 0.000 0.425 744 A N -0.134 122.733 122.820 0.078 0.000 1.909 744 A HA 0.376 4.591 4.320 -0.175 0.000 0.210 744 A C 2.163 179.750 177.584 0.006 0.000 1.273 744 A CA 0.980 53.047 52.037 0.049 0.000 0.654 744 A CB -0.737 18.302 19.000 0.065 0.000 0.945 744 A HN 0.356 nan 8.150 nan 0.000 0.471 745 A N -0.241 122.573 122.820 -0.010 0.000 1.878 745 A HA 0.569 4.784 4.320 -0.175 0.000 0.215 745 A C 0.908 178.449 177.584 -0.071 0.000 1.310 745 A CA 1.472 53.487 52.037 -0.036 0.000 0.612 745 A CB -0.316 18.673 19.000 -0.018 0.000 0.989 745 A HN 0.929 nan 8.150 nan 0.000 0.472 746 M N -2.761 116.773 119.600 -0.111 0.000 2.603 746 M HA 0.452 4.828 4.480 -0.175 0.000 0.275 746 M C -0.760 175.347 176.300 -0.323 0.000 1.226 746 M CA -0.537 54.636 55.300 -0.211 0.000 0.870 746 M CB 1.546 34.044 32.600 -0.170 0.000 1.716 746 M HN 0.055 nan 8.290 nan 0.000 0.482 747 L N 0.969 121.892 121.223 -0.499 0.000 2.270 747 L HA 0.373 4.608 4.340 -0.175 0.000 0.210 747 L C 1.182 177.747 176.870 -0.508 0.000 1.104 747 L CA 1.152 55.656 54.840 -0.560 0.000 0.804 747 L CB -0.806 40.808 42.059 -0.741 0.000 0.937 747 L HN 1.171 nan 8.230 nan 0.000 0.450 748 G N 0.512 108.862 108.800 -0.750 0.000 2.681 748 G HA2 -0.323 3.532 3.960 -0.175 0.000 0.220 748 G HA3 -0.323 3.532 3.960 -0.175 0.000 0.220 748 G C -0.400 174.050 174.900 -0.751 0.000 1.353 748 G CA -0.280 44.344 45.100 -0.793 0.000 0.872 748 G HN 0.267 nan 8.290 nan 0.000 0.557 749 Q N 0.780 120.461 119.800 -0.199 0.000 2.323 749 Q HA 0.469 4.704 4.340 -0.175 0.000 0.257 749 Q C 0.676 176.630 176.000 -0.077 0.000 1.022 749 Q CA 0.019 55.802 55.803 -0.033 0.000 0.919 749 Q CB 0.468 29.307 28.738 0.169 0.000 1.220 749 Q HN 0.510 nan 8.270 nan 0.000 0.427 750 Q N 1.892 121.635 119.800 -0.095 0.000 2.394 750 Q HA 0.395 4.630 4.340 -0.175 0.000 0.248 750 Q C -0.610 175.410 176.000 0.034 0.000 0.992 750 Q CA 0.049 55.847 55.803 -0.008 0.000 0.888 750 Q CB 1.344 30.121 28.738 0.064 0.000 1.257 750 Q HN 0.834 nan 8.270 nan 0.000 0.462 751 S N -1.274 114.456 115.700 0.051 0.000 2.550 751 S HA 0.680 5.045 4.470 -0.175 0.000 0.270 751 S C -0.667 173.962 174.600 0.048 0.000 1.145 751 S CA -0.958 57.271 58.200 0.048 0.000 0.852 751 S CB 1.424 64.641 63.200 0.028 0.000 1.119 751 S HN 0.447 nan 8.310 nan 0.000 0.465 752 V N -0.930 119.010 119.914 0.043 0.000 2.483 752 V HA 0.711 4.726 4.120 -0.175 0.000 0.297 752 V C 0.101 176.207 176.094 0.019 0.000 1.027 752 V CA -1.132 61.187 62.300 0.030 0.000 0.855 752 V CB 0.759 32.602 31.823 0.033 0.000 0.995 752 V HN 1.082 nan 8.190 nan 0.000 0.424 753 R N 3.749 124.255 120.500 0.011 0.000 3.038 753 R HA -0.207 4.028 4.340 -0.175 0.000 0.242 753 R C 1.319 177.622 176.300 0.004 0.000 0.866 753 R CA 0.987 57.089 56.100 0.005 0.000 0.601 753 R CB -1.533 28.768 30.300 0.002 0.000 1.107 753 R HN 1.998 nan 8.270 nan 0.000 0.492 754 G N -0.620 108.182 108.800 0.004 0.000 4.391 754 G HA2 -0.319 3.536 3.960 -0.175 0.000 0.210 754 G HA3 -0.319 3.536 3.960 -0.175 0.000 0.210 754 G C -0.047 174.854 174.900 0.001 0.000 1.547 754 G CA 0.272 45.371 45.100 -0.001 0.000 1.103 754 G HN 0.409 nan 8.290 nan 0.000 0.637 755 E N 1.395 121.599 120.200 0.006 0.000 2.330 755 E HA 0.725 4.971 4.350 -0.175 0.000 0.256 755 E C 1.079 177.693 176.600 0.024 0.000 1.146 755 E CA -0.647 55.758 56.400 0.009 0.000 0.945 755 E CB 0.415 30.119 29.700 0.007 0.000 1.182 755 E HN 0.552 nan 8.360 nan 0.000 0.480 756 R N 0.200 120.716 120.500 0.026 0.000 2.822 756 R HA 0.220 4.455 4.340 -0.175 0.000 0.277 756 R C 0.086 176.433 176.300 0.078 0.000 1.102 756 R CA -0.247 55.878 56.100 0.041 0.000 1.207 756 R CB 0.054 30.371 30.300 0.028 0.000 1.139 756 R HN 0.436 nan 8.270 nan 0.000 0.557 757 I N 1.874 122.520 120.570 0.126 0.000 2.363 757 I HA 0.009 4.074 4.170 -0.175 0.000 0.292 757 I C 1.152 177.397 176.117 0.214 0.000 1.075 757 I CA 0.668 62.094 61.300 0.210 0.000 1.333 757 I CB 0.538 38.783 38.000 0.409 0.000 1.415 757 I HN 0.483 nan 8.210 nan 0.000 0.502 758 K N 4.385 124.872 120.400 0.146 0.000 2.511 758 K HA 0.217 4.433 4.320 -0.175 0.000 0.209 758 K C 0.708 177.358 176.600 0.084 0.000 1.301 758 K CA -0.366 55.991 56.287 0.117 0.000 0.967 758 K CB 0.646 33.190 32.500 0.072 0.000 1.109 758 K HN 0.397 nan 8.250 nan 0.000 0.561 759 R N 1.162 121.702 120.500 0.067 0.000 2.351 759 R HA 0.153 4.388 4.340 -0.175 0.000 0.318 759 R C -0.045 176.248 176.300 -0.012 0.000 1.055 759 R CA 0.442 56.555 56.100 0.022 0.000 0.968 759 R CB 0.520 30.830 30.300 0.017 0.000 0.974 759 R HN 0.322 nan 8.270 nan 0.000 0.439 760 G N 2.520 111.278 108.800 -0.070 0.000 2.565 760 G HA2 0.032 3.887 3.960 -0.175 0.000 0.142 760 G HA3 0.032 3.887 3.960 -0.175 0.000 0.142 760 G C -1.486 173.275 174.900 -0.231 0.000 1.181 760 G CA -0.706 44.260 45.100 -0.223 0.000 1.066 760 G HN 0.411 nan 8.290 nan 0.000 0.530 761 Y N 1.102 121.364 120.300 -0.063 0.000 2.426 761 Y HA 0.338 4.782 4.550 -0.177 0.000 0.344 761 Y C 2.428 178.289 175.900 -0.065 0.000 1.256 761 Y CA 0.091 58.150 58.100 -0.069 0.000 1.451 761 Y CB 0.472 38.875 38.460 -0.094 0.000 1.342 761 Y HN 0.327 nan 8.280 nan 0.000 0.600 762 M N 0.204 119.866 119.600 0.104 0.000 2.426 762 M HA -0.183 4.192 4.480 -0.175 0.000 0.261 762 M C 1.052 177.310 176.300 -0.071 0.000 1.068 762 M CA 1.931 57.239 55.300 0.013 0.000 1.066 762 M CB -0.595 32.013 32.600 0.013 0.000 1.399 762 M HN 0.795 nan 8.290 nan 0.000 0.449 763 T N -1.198 113.311 114.554 -0.075 0.000 3.087 763 T HA 0.188 4.433 4.350 -0.175 0.000 0.237 763 T C 0.498 175.114 174.700 -0.139 0.000 0.990 763 T CA 0.225 62.184 62.100 -0.235 0.000 1.160 763 T CB 0.229 68.986 68.868 -0.185 0.000 0.923 763 T HN 0.228 nan 8.240 nan 0.000 0.442 764 R N 0.524 121.032 120.500 0.013 0.000 2.867 764 R HA 0.661 4.896 4.340 -0.175 0.000 0.268 764 R C 0.775 177.164 176.300 0.148 0.000 1.014 764 R CA -0.552 55.612 56.100 0.107 0.000 0.946 764 R CB -0.012 30.375 30.300 0.145 0.000 1.208 764 R HN -0.143 nan 8.270 nan 0.000 0.477 765 T N 0.029 114.685 114.554 0.170 0.000 2.812 765 T HA 0.109 4.354 4.350 -0.175 0.000 0.264 765 T C 0.355 175.022 174.700 -0.054 0.000 1.042 765 T CA 0.964 63.123 62.100 0.098 0.000 1.140 765 T CB 0.049 69.064 68.868 0.245 0.000 0.870 765 T HN -0.001 nan 8.240 nan 0.000 0.445 766 L N 0.806 121.955 121.223 -0.123 0.000 2.333 766 L HA 0.412 4.647 4.340 -0.175 0.000 0.263 766 L C -2.255 174.422 176.870 -0.322 0.000 1.014 766 L CA -2.455 52.213 54.840 -0.286 0.000 0.820 766 L CB 1.612 43.402 42.059 -0.449 0.000 1.352 766 L HN -0.148 nan 8.230 nan 0.000 0.421 767 P HA 0.172 nan 4.420 nan 0.000 0.243 767 P C -0.129 176.743 177.300 -0.713 0.000 1.668 767 P CA 0.270 63.022 63.100 -0.580 0.000 0.898 767 P CB -0.252 31.096 31.700 -0.588 0.000 1.637 768 H N -2.098 116.794 119.070 -0.297 0.000 3.078 768 H HA 0.318 4.769 4.556 -0.175 0.000 0.263 768 H C -0.171 175.224 175.328 0.112 0.000 1.177 768 H CA -0.224 55.725 56.048 -0.165 0.000 1.128 768 H CB 0.109 29.749 29.762 -0.203 0.000 1.623 768 H HN 0.020 nan 8.280 nan 0.000 0.592 769 F N 1.343 121.367 119.950 0.123 0.000 2.508 769 F HA 0.415 4.835 4.527 -0.179 0.000 0.325 769 F C 0.398 176.237 175.800 0.065 0.000 1.090 769 F CA -1.917 56.151 58.000 0.113 0.000 0.945 769 F CB 1.266 40.353 39.000 0.144 0.000 1.156 769 F HN -0.191 nan 8.300 nan 0.000 0.463 770 K N 2.817 123.378 120.400 0.268 0.000 2.448 770 K HA 0.168 4.384 4.320 -0.175 0.000 0.278 770 K C -2.400 174.297 176.600 0.162 0.000 1.009 770 K CA -1.323 55.062 56.287 0.163 0.000 0.995 770 K CB 0.072 32.649 32.500 0.128 0.000 0.917 770 K HN 0.212 nan 8.250 nan 0.000 0.481 771 P HA -0.156 nan 4.420 nan 0.000 0.259 771 P C -1.145 176.310 177.300 0.258 0.000 1.163 771 P CA 0.710 63.887 63.100 0.128 0.000 0.760 771 P CB 0.005 31.806 31.700 0.169 0.000 0.762 772 Y N -0.436 119.916 120.300 0.087 0.000 3.091 772 Y HA -0.227 4.345 4.550 0.036 0.000 0.189 772 Y C 0.482 176.430 175.900 0.079 0.000 1.520 772 Y CA 0.616 58.764 58.100 0.080 0.000 1.121 772 Y CB -1.697 36.803 38.460 0.067 0.000 1.411 772 Y HN 0.404 nan 8.280 nan 0.000 0.459 773 D N 1.147 121.649 120.400 0.170 0.000 2.308 773 D HA 0.533 5.069 4.640 -0.175 0.000 0.242 773 D C 0.611 176.967 176.300 0.094 0.000 1.059 773 D CA -0.410 53.665 54.000 0.125 0.000 0.830 773 D CB 0.840 41.710 40.800 0.117 0.000 1.161 773 D HN 0.383 nan 8.370 nan 0.000 0.494 774 I N 1.591 122.199 120.570 0.062 0.000 4.154 774 I HA -0.025 4.040 4.170 -0.175 0.000 0.334 774 I C 1.046 177.162 176.117 -0.000 0.000 1.371 774 I CA -0.181 61.140 61.300 0.036 0.000 1.110 774 I CB 0.369 38.386 38.000 0.028 0.000 1.085 774 I HN 0.211 nan 8.210 nan 0.000 0.398 775 S N 1.639 117.327 115.700 -0.019 0.000 2.563 775 S HA 0.122 4.487 4.470 -0.175 0.000 0.284 775 S C -1.557 173.009 174.600 -0.057 0.000 1.331 775 S CA -0.819 57.354 58.200 -0.044 0.000 1.047 775 S CB 0.573 63.734 63.200 -0.065 0.000 0.859 775 S HN -0.079 nan 8.310 nan 0.000 0.514 776 P HA -0.179 nan 4.420 nan 0.000 0.218 776 P C 1.133 178.431 177.300 -0.004 0.000 1.154 776 P CA 1.666 64.741 63.100 -0.041 0.000 0.872 776 P CB -0.024 31.632 31.700 -0.073 0.000 0.790 777 E N -0.311 119.906 120.200 0.028 0.000 2.058 777 E HA -0.133 4.112 4.350 -0.175 0.000 0.194 777 E C 2.018 178.483 176.600 -0.226 0.000 0.997 777 E CA 1.610 58.004 56.400 -0.011 0.000 0.801 777 E CB -1.170 28.494 29.700 -0.059 0.000 0.746 777 E HN 0.176 nan 8.360 nan 0.000 0.450 778 A N 0.225 122.857 122.820 -0.313 0.000 2.252 778 A HA 0.010 4.225 4.320 -0.175 0.000 0.207 778 A C 1.310 179.008 177.584 0.190 0.000 1.194 778 A CA 0.552 52.460 52.037 -0.215 0.000 0.809 778 A CB 0.039 18.861 19.000 -0.297 0.000 0.814 778 A HN -0.039 nan 8.150 nan 0.000 0.482 779 R N -2.300 118.159 120.500 -0.067 0.000 2.544 779 R HA 0.231 4.466 4.340 -0.175 0.000 0.303 779 R C 1.006 177.141 176.300 -0.276 0.000 0.939 779 R CA 0.893 56.984 56.100 -0.014 0.000 1.102 779 R CB 0.620 30.934 30.300 0.023 0.000 1.440 779 R HN 0.697 nan 8.270 nan 0.000 0.532 780 G N 0.838 109.191 108.800 -0.745 0.000 2.370 780 G HA2 -0.201 3.654 3.960 -0.175 0.000 0.174 780 G HA3 -0.201 3.654 3.960 -0.175 0.000 0.174 780 G C -0.362 174.286 174.900 -0.420 0.000 1.002 780 G CA -0.592 43.989 45.100 -0.866 0.000 0.730 780 G HN 0.167 nan 8.290 nan 0.000 0.497 781 F N 2.771 122.480 119.950 -0.401 0.000 2.502 781 F HA 0.637 5.060 4.527 -0.174 0.000 0.371 781 F C 0.536 176.106 175.800 -0.382 0.000 1.083 781 F CA -0.530 57.248 58.000 -0.369 0.000 1.174 781 F CB 0.309 39.068 39.000 -0.400 0.000 1.096 781 F HN 0.019 nan 8.300 nan 0.000 0.545 782 I N 8.347 128.360 120.570 -0.927 0.000 2.304 782 I HA 0.078 4.143 4.170 -0.175 0.000 0.291 782 I C -0.137 175.520 176.117 -0.766 0.000 1.018 782 I CA -0.292 60.659 61.300 -0.581 0.000 1.260 782 I CB 0.867 38.613 38.000 -0.423 0.000 1.390 782 I HN 0.687 nan 8.210 nan 0.000 0.475 783 Y N 3.071 123.254 120.300 -0.194 0.000 2.365 783 Y HA -0.070 4.374 4.550 -0.177 0.000 0.293 783 Y C 1.892 177.744 175.900 -0.080 0.000 1.119 783 Y CA 0.315 58.396 58.100 -0.030 0.000 1.203 783 Y CB -0.049 38.495 38.460 0.140 0.000 1.026 783 Y HN 0.589 nan 8.280 nan 0.000 0.549 784 S N 0.139 115.868 115.700 0.048 0.000 2.624 784 S HA 0.420 4.786 4.470 -0.175 0.000 0.263 784 S C 0.310 174.812 174.600 -0.163 0.000 1.287 784 S CA -0.432 57.763 58.200 -0.008 0.000 0.990 784 S CB 1.406 64.624 63.200 0.031 0.000 0.950 784 S HN 0.247 nan 8.310 nan 0.000 0.561 785 S N -0.268 115.345 115.700 -0.145 0.000 2.766 785 S HA 0.578 4.943 4.470 -0.175 0.000 0.307 785 S C 0.221 174.692 174.600 -0.215 0.000 1.121 785 S CA -0.846 57.204 58.200 -0.251 0.000 0.980 785 S CB -0.076 63.056 63.200 -0.113 0.000 1.159 785 S HN 0.528 nan 8.310 nan 0.000 0.546 786 F N 0.446 120.388 119.950 -0.014 0.000 2.451 786 F HA 0.174 4.597 4.527 -0.174 0.000 0.299 786 F C 2.639 178.449 175.800 0.018 0.000 1.101 786 F CA 0.328 58.334 58.000 0.009 0.000 1.436 786 F CB -0.414 38.592 39.000 0.011 0.000 1.074 786 F HN 0.397 nan 8.300 nan 0.000 0.553 787 R N 0.329 120.920 120.500 0.152 0.000 2.057 787 R HA -0.040 4.195 4.340 -0.175 0.000 0.229 787 R C 2.087 178.435 176.300 0.079 0.000 1.136 787 R CA 1.829 57.991 56.100 0.104 0.000 0.952 787 R CB -1.118 29.224 30.300 0.071 0.000 0.848 787 R HN 0.184 nan 8.270 nan 0.000 0.430 788 T N -0.797 113.791 114.554 0.057 0.000 2.851 788 T HA 0.190 4.436 4.350 -0.175 0.000 0.262 788 T C 0.792 175.531 174.700 0.064 0.000 1.043 788 T CA 1.039 63.173 62.100 0.056 0.000 1.140 788 T CB -0.197 68.703 68.868 0.052 0.000 0.872 788 T HN 0.520 nan 8.240 nan 0.000 0.446 789 G N 0.521 109.361 108.800 0.067 0.000 2.640 789 G HA2 0.040 3.895 3.960 -0.175 0.000 0.686 789 G HA3 0.040 3.895 3.960 -0.175 0.000 0.686 789 G C -1.077 173.863 174.900 0.066 0.000 1.229 789 G CA -1.141 44.010 45.100 0.085 0.000 0.796 789 G HN 0.352 nan 8.290 nan 0.000 0.654 790 L N 1.350 122.625 121.223 0.088 0.000 2.417 790 L HA 0.351 4.587 4.340 -0.175 0.000 0.268 790 L C 1.374 178.303 176.870 0.098 0.000 1.158 790 L CA -0.442 54.449 54.840 0.084 0.000 0.819 790 L CB 0.936 43.073 42.059 0.129 0.000 1.112 790 L HN 0.582 nan 8.230 nan 0.000 0.458 791 K N 2.858 123.323 120.400 0.109 0.000 2.180 791 K HA 0.100 4.315 4.320 -0.175 0.000 0.251 791 K C -1.518 175.148 176.600 0.110 0.000 1.014 791 K CA -1.346 55.005 56.287 0.106 0.000 0.913 791 K CB 0.690 33.265 32.500 0.125 0.000 1.008 791 K HN 0.274 nan 8.250 nan 0.000 0.490 792 P HA -0.224 nan 4.420 nan 0.000 0.216 792 P C 1.037 178.367 177.300 0.049 0.000 1.153 792 P CA 1.672 64.794 63.100 0.036 0.000 0.858 792 P CB 0.026 31.705 31.700 -0.035 0.000 0.789 793 T N -2.665 111.925 114.554 0.060 0.000 2.812 793 T HA -0.104 4.141 4.350 -0.175 0.000 0.264 793 T C 1.691 176.590 174.700 0.332 0.000 1.042 793 T CA 1.028 63.203 62.100 0.125 0.000 1.140 793 T CB -1.014 68.025 68.868 0.285 0.000 0.870 793 T HN 0.201 nan 8.240 nan 0.000 0.445 794 E N 0.812 121.251 120.200 0.398 0.000 2.153 794 E HA -0.029 4.216 4.350 -0.175 0.000 0.194 794 E C 2.006 178.818 176.600 0.352 0.000 0.988 794 E CA 0.742 57.412 56.400 0.449 0.000 0.811 794 E CB -0.282 29.564 29.700 0.243 0.000 0.746 794 E HN 0.283 nan 8.360 nan 0.000 0.466 795 L N -0.018 121.355 121.223 0.250 0.000 2.201 795 L HA -0.109 4.127 4.340 -0.175 0.000 0.212 795 L C 1.837 178.814 176.870 0.178 0.000 1.105 795 L CA 1.338 56.301 54.840 0.205 0.000 0.775 795 L CB -0.229 41.922 42.059 0.153 0.000 0.913 795 L HN 0.042 nan 8.230 nan 0.000 0.440 796 F N -1.280 118.677 119.950 0.012 0.000 2.187 796 F HA -0.114 4.309 4.527 -0.175 0.000 0.295 796 F C 1.975 177.746 175.800 -0.049 0.000 1.091 796 F CA 1.278 59.222 58.000 -0.093 0.000 1.308 796 F CB -0.304 38.547 39.000 -0.247 0.000 1.030 796 F HN 0.038 nan 8.300 nan 0.000 0.487 797 F N -0.752 119.341 119.950 0.238 0.000 2.171 797 F HA -0.193 4.228 4.527 -0.178 0.000 0.300 797 F C 2.632 178.502 175.800 0.117 0.000 1.090 797 F CA 1.760 59.857 58.000 0.162 0.000 1.293 797 F CB -1.131 37.974 39.000 0.176 0.000 1.013 797 F HN 0.081 nan 8.300 nan 0.000 0.486 798 H N 0.321 119.507 119.070 0.194 0.000 2.357 798 H HA -0.004 4.446 4.556 -0.175 0.000 0.301 798 H C 2.127 177.469 175.328 0.023 0.000 1.082 798 H CA 1.347 57.453 56.048 0.097 0.000 1.342 798 H CB -0.533 29.290 29.762 0.102 0.000 1.389 798 H HN 0.120 nan 8.280 nan 0.000 0.511 799 A N 0.955 123.721 122.820 -0.090 0.000 1.902 799 A HA -0.056 4.160 4.320 -0.175 0.000 0.217 799 A C 2.701 180.155 177.584 -0.217 0.000 1.181 799 A CA 1.916 53.800 52.037 -0.255 0.000 0.623 799 A CB -1.271 17.529 19.000 -0.334 0.000 0.818 799 A HN 0.579 nan 8.150 nan 0.000 0.443 800 A N -0.514 122.184 122.820 -0.203 0.000 1.940 800 A HA 0.090 4.305 4.320 -0.175 0.000 0.219 800 A C 2.368 179.938 177.584 -0.023 0.000 1.176 800 A CA 1.999 53.959 52.037 -0.130 0.000 0.631 800 A CB -1.286 17.682 19.000 -0.053 0.000 0.814 800 A HN 0.706 nan 8.150 nan 0.000 0.446 801 G N -0.651 108.180 108.800 0.052 0.000 2.404 801 G HA2 0.078 3.933 3.960 -0.175 0.000 0.215 801 G HA3 0.078 3.933 3.960 -0.175 0.000 0.215 801 G C 1.502 176.427 174.900 0.041 0.000 1.174 801 G CA 1.043 46.190 45.100 0.077 0.000 0.780 801 G HN 0.735 nan 8.290 nan 0.000 0.537 802 G N 0.173 108.979 108.800 0.010 0.000 2.535 802 G HA2 -0.153 3.702 3.960 -0.175 0.000 0.218 802 G HA3 -0.153 3.702 3.960 -0.175 0.000 0.218 802 G C 1.772 176.636 174.900 -0.060 0.000 1.122 802 G CA 0.824 45.897 45.100 -0.046 0.000 0.769 802 G HN 0.421 nan 8.290 nan 0.000 0.549 803 R N 0.396 120.858 120.500 -0.064 0.000 2.148 803 R HA -0.011 4.224 4.340 -0.175 0.000 0.227 803 R C 2.271 178.548 176.300 -0.038 0.000 1.103 803 R CA 0.994 57.056 56.100 -0.064 0.000 0.983 803 R CB -0.045 30.211 30.300 -0.073 0.000 0.874 803 R HN 0.222 nan 8.270 nan 0.000 0.451 804 E N -1.019 119.168 120.200 -0.021 0.000 2.106 804 E HA -0.051 4.194 4.350 -0.175 0.000 0.192 804 E C 1.899 178.490 176.600 -0.015 0.000 0.984 804 E CA 1.327 57.719 56.400 -0.013 0.000 0.806 804 E CB -0.522 29.177 29.700 -0.001 0.000 0.750 804 E HN 0.522 nan 8.360 nan 0.000 0.458 805 G N 1.371 110.162 108.800 -0.016 0.000 2.422 805 G HA2 -0.195 3.661 3.960 -0.175 0.000 0.218 805 G HA3 -0.195 3.661 3.960 -0.175 0.000 0.218 805 G C 1.712 176.597 174.900 -0.025 0.000 1.146 805 G CA 0.433 45.522 45.100 -0.018 0.000 0.769 805 G HN 0.188 nan 8.290 nan 0.000 0.547 806 L N 0.343 121.547 121.223 -0.033 0.000 2.131 806 L HA -0.073 4.162 4.340 -0.175 0.000 0.210 806 L C 2.741 179.593 176.870 -0.030 0.000 1.092 806 L CA 0.493 55.311 54.840 -0.036 0.000 0.759 806 L CB -0.361 41.670 42.059 -0.046 0.000 0.903 806 L HN 0.112 nan 8.230 nan 0.000 0.435 807 V N -1.496 118.402 119.914 -0.027 0.000 2.878 807 V HA -0.134 3.881 4.120 -0.175 0.000 0.250 807 V C 2.019 178.101 176.094 -0.020 0.000 1.075 807 V CA 1.153 63.439 62.300 -0.023 0.000 1.096 807 V CB -0.265 31.545 31.823 -0.022 0.000 0.724 807 V HN 0.379 nan 8.190 nan 0.000 0.467 808 D N 0.520 120.909 120.400 -0.018 0.000 2.224 808 D HA -0.117 4.418 4.640 -0.175 0.000 0.205 808 D C 2.126 178.416 176.300 -0.016 0.000 0.965 808 D CA 1.400 55.391 54.000 -0.016 0.000 0.852 808 D CB 0.244 41.035 40.800 -0.014 0.000 0.947 808 D HN 0.376 nan 8.370 nan 0.000 0.494 809 T N 0.333 114.876 114.554 -0.018 0.000 2.737 809 T HA -0.160 4.085 4.350 -0.175 0.000 0.269 809 T C 1.805 176.496 174.700 -0.016 0.000 1.040 809 T CA 1.621 63.710 62.100 -0.018 0.000 1.142 809 T CB -0.033 68.822 68.868 -0.021 0.000 0.861 809 T HN 0.213 nan 8.240 nan 0.000 0.456 810 A N 0.777 123.587 122.820 -0.016 0.000 1.859 810 A HA 0.249 4.464 4.320 -0.175 0.000 0.212 810 A C 1.300 178.877 177.584 -0.012 0.000 1.238 810 A CA 0.247 52.276 52.037 -0.014 0.000 0.613 810 A CB -0.234 18.757 19.000 -0.015 0.000 0.904 810 A HN 0.296 nan 8.150 nan 0.000 0.457 811 V N 0.993 120.898 119.914 -0.014 0.000 2.287 811 V HA 0.389 4.405 4.120 -0.175 0.000 0.246 811 V C 0.897 176.984 176.094 -0.011 0.000 1.165 811 V CA 1.041 63.333 62.300 -0.013 0.000 1.088 811 V CB -0.627 31.186 31.823 -0.016 0.000 1.242 811 V HN 0.678 nan 8.190 nan 0.000 0.497 812 R N 1.481 121.977 120.500 -0.008 0.000 2.303 812 R HA -0.050 4.185 4.340 -0.175 0.000 0.058 812 R C 1.769 178.069 176.300 0.001 0.000 0.827 812 R CA 0.752 56.849 56.100 -0.005 0.000 2.966 812 R CB -0.074 30.221 30.300 -0.008 0.000 1.253 812 R HN 0.521 nan 8.270 nan 0.000 0.527 813 T N 1.143 115.698 114.554 0.001 0.000 2.915 813 T HA -0.141 4.104 4.350 -0.175 0.000 0.269 813 T C 1.628 176.339 174.700 0.019 0.000 1.071 813 T CA 1.708 63.813 62.100 0.008 0.000 1.132 813 T CB -0.228 68.642 68.868 0.003 0.000 0.878 813 T HN 0.475 nan 8.240 nan 0.000 0.479 814 S N 1.934 117.642 115.700 0.013 0.000 2.392 814 S HA -0.282 4.083 4.470 -0.175 0.000 0.232 814 S C 1.988 176.607 174.600 0.030 0.000 1.041 814 S CA 1.244 59.453 58.200 0.015 0.000 1.026 814 S CB -0.449 62.749 63.200 -0.004 0.000 0.845 814 S HN 0.575 nan 8.310 nan 0.000 0.465 815 Q N 0.140 119.956 119.800 0.027 0.000 2.178 815 Q HA 0.110 4.346 4.340 -0.175 0.000 0.195 815 Q C 2.558 178.604 176.000 0.077 0.000 0.960 815 Q CA 0.970 56.798 55.803 0.042 0.000 0.843 815 Q CB -0.311 28.437 28.738 0.017 0.000 0.927 815 Q HN 0.604 nan 8.270 nan 0.000 0.487 816 S N 0.243 115.971 115.700 0.046 0.000 2.368 816 S HA -0.127 4.238 4.470 -0.175 0.000 0.225 816 S C 1.928 176.555 174.600 0.045 0.000 1.030 816 S CA 1.472 59.694 58.200 0.037 0.000 0.999 816 S CB -0.506 62.702 63.200 0.013 0.000 0.844 816 S HN 0.536 nan 8.310 nan 0.000 0.459 817 G N -0.893 107.938 108.800 0.052 0.000 2.432 817 G HA2 -0.202 3.653 3.960 -0.175 0.000 0.219 817 G HA3 -0.202 3.653 3.960 -0.175 0.000 0.219 817 G C 1.263 176.206 174.900 0.072 0.000 1.135 817 G CA 0.841 45.970 45.100 0.049 0.000 0.767 817 G HN 0.632 nan 8.290 nan 0.000 0.550 818 Y N 0.192 120.488 120.300 -0.007 0.000 2.352 818 Y HA 0.119 4.564 4.550 -0.174 0.000 0.292 818 Y C 2.485 178.380 175.900 -0.007 0.000 1.136 818 Y CA 1.453 59.548 58.100 -0.007 0.000 1.227 818 Y CB 0.111 38.566 38.460 -0.009 0.000 0.991 818 Y HN 0.208 nan 8.280 nan 0.000 0.545 819 M N -0.537 119.096 119.600 0.056 0.000 2.509 819 M HA -0.030 4.345 4.480 -0.175 0.000 0.250 819 M C 1.692 177.967 176.300 -0.042 0.000 1.132 819 M CA 0.773 56.066 55.300 -0.012 0.000 1.080 819 M CB 0.186 32.808 32.600 0.036 0.000 1.408 819 M HN 0.283 nan 8.290 nan 0.000 0.484 820 Q N 0.771 120.552 119.800 -0.032 0.000 2.172 820 Q HA -0.101 4.134 4.340 -0.175 0.000 0.200 820 Q C 1.942 177.907 176.000 -0.058 0.000 0.964 820 Q CA 1.576 57.359 55.803 -0.033 0.000 0.855 820 Q CB -0.100 28.630 28.738 -0.013 0.000 0.918 820 Q HN 0.454 nan 8.270 nan 0.000 0.444 821 R N -0.754 119.685 120.500 -0.101 0.000 2.127 821 R HA 0.094 4.329 4.340 -0.175 0.000 0.217 821 R C 2.030 178.223 176.300 -0.180 0.000 1.074 821 R CA 0.530 56.550 56.100 -0.134 0.000 0.991 821 R CB 0.142 30.346 30.300 -0.159 0.000 0.895 821 R HN 0.148 nan 8.270 nan 0.000 0.450 822 R N 0.324 120.681 120.500 -0.239 0.000 2.115 822 R HA -0.076 4.159 4.340 -0.175 0.000 0.226 822 R C 1.830 178.062 176.300 -0.115 0.000 1.100 822 R CA 1.080 57.044 56.100 -0.226 0.000 0.980 822 R CB -0.020 30.126 30.300 -0.258 0.000 0.875 822 R HN 0.190 nan 8.270 nan 0.000 0.445 823 L N -2.142 119.033 121.223 -0.079 0.000 2.554 823 L HA 0.208 4.443 4.340 -0.175 0.000 0.225 823 L C 1.752 178.604 176.870 -0.029 0.000 1.104 823 L CA 0.940 55.755 54.840 -0.041 0.000 0.866 823 L CB -0.403 41.642 42.059 -0.023 0.000 1.047 823 L HN -0.045 nan 8.230 nan 0.000 0.468 824 I N 0.018 120.565 120.570 -0.038 0.000 2.928 824 I HA -0.070 3.995 4.170 -0.175 0.000 0.266 824 I C 1.786 177.890 176.117 -0.021 0.000 1.234 824 I CA 0.698 61.984 61.300 -0.023 0.000 1.483 824 I CB 0.062 38.048 38.000 -0.023 0.000 1.097 824 I HN 0.435 nan 8.210 nan 0.000 0.455 825 N N 0.062 118.739 118.700 -0.038 0.000 2.356 825 N HA 0.091 4.726 4.740 -0.175 0.000 0.178 825 N C 1.660 177.160 175.510 -0.016 0.000 1.075 825 N CA 0.762 53.795 53.050 -0.029 0.000 0.889 825 N CB 0.512 38.968 38.487 -0.052 0.000 0.999 825 N HN 0.282 nan 8.380 nan 0.000 0.464 826 A N 0.294 123.101 122.820 -0.022 0.000 2.021 826 A HA 0.100 4.315 4.320 -0.175 0.000 0.216 826 A C 1.541 179.132 177.584 0.013 0.000 1.163 826 A CA 0.784 52.815 52.037 -0.010 0.000 0.676 826 A CB 0.096 19.083 19.000 -0.021 0.000 0.818 826 A HN 0.088 nan 8.150 nan 0.000 0.453 827 L N 0.204 121.436 121.223 0.015 0.000 2.857 827 L HA 0.111 4.347 4.340 -0.175 0.000 0.249 827 L C 2.149 179.038 176.870 0.032 0.000 1.172 827 L CA 0.939 55.797 54.840 0.029 0.000 0.980 827 L CB 0.377 42.452 42.059 0.027 0.000 1.299 827 L HN 0.413 nan 8.230 nan 0.000 0.535 828 S N -1.506 114.210 115.700 0.028 0.000 2.356 828 S HA -0.124 4.242 4.470 -0.175 0.000 0.223 828 S C 0.950 175.562 174.600 0.021 0.000 1.032 828 S CA 1.081 59.293 58.200 0.021 0.000 1.005 828 S CB -0.313 62.898 63.200 0.017 0.000 0.867 828 S HN 0.357 nan 8.310 nan 0.000 0.449 829 D N 2.109 122.535 120.400 0.043 0.000 3.008 829 D HA 0.361 4.897 4.640 -0.175 0.000 0.242 829 D C -0.696 175.620 176.300 0.027 0.000 1.222 829 D CA 0.247 54.262 54.000 0.025 0.000 0.883 829 D CB -0.303 40.541 40.800 0.073 0.000 1.110 829 D HN 0.427 nan 8.370 nan 0.000 0.455 830 L N 1.156 122.390 121.223 0.017 0.000 2.441 830 L HA 0.445 4.680 4.340 -0.175 0.000 0.270 830 L C 0.098 176.964 176.870 -0.006 0.000 0.973 830 L CA -0.912 53.942 54.840 0.022 0.000 0.842 830 L CB 1.805 43.893 42.059 0.048 0.000 1.239 830 L HN -0.041 nan 8.230 nan 0.000 0.406 831 R N 2.537 123.023 120.500 -0.024 0.000 2.888 831 R HA 0.892 5.127 4.340 -0.175 0.000 0.266 831 R C -0.713 175.544 176.300 -0.072 0.000 1.020 831 R CA -0.775 55.289 56.100 -0.061 0.000 0.963 831 R CB 1.848 32.099 30.300 -0.082 0.000 1.197 831 R HN 0.495 nan 8.270 nan 0.000 0.481 832 A N 2.630 125.375 122.820 -0.124 0.000 2.671 832 A HA 0.189 4.404 4.320 -0.175 0.000 0.306 832 A C -0.177 177.317 177.584 -0.151 0.000 1.473 832 A CA -0.600 51.354 52.037 -0.138 0.000 1.155 832 A CB -0.293 18.583 19.000 -0.207 0.000 1.123 832 A HN 0.692 nan 8.150 nan 0.000 0.545 833 E N 0.781 120.931 120.200 -0.083 0.000 2.468 833 E HA -0.092 4.154 4.350 -0.175 0.000 0.263 833 E C 0.144 176.708 176.600 -0.060 0.000 1.192 833 E CA 0.316 56.678 56.400 -0.063 0.000 1.016 833 E CB 0.124 29.841 29.700 0.028 0.000 0.980 833 E HN 0.679 nan 8.360 nan 0.000 0.467 834 Y N 0.529 120.826 120.300 -0.005 0.000 2.403 834 Y HA -0.154 4.291 4.550 -0.174 0.000 0.291 834 Y C 1.570 177.474 175.900 0.006 0.000 1.143 834 Y CA 1.490 59.588 58.100 -0.004 0.000 1.257 834 Y CB 0.053 38.510 38.460 -0.005 0.000 0.984 834 Y HN 0.412 nan 8.280 nan 0.000 0.550 835 D N -1.576 118.917 120.400 0.154 0.000 2.491 835 D HA 0.176 4.711 4.640 -0.175 0.000 0.228 835 D C 1.493 177.844 176.300 0.085 0.000 1.183 835 D CA 0.468 54.532 54.000 0.107 0.000 0.827 835 D CB -0.191 40.663 40.800 0.089 0.000 0.989 835 D HN 0.265 nan 8.370 nan 0.000 0.494 836 G N 0.110 108.956 108.800 0.077 0.000 2.143 836 G HA2 -0.262 3.593 3.960 -0.175 0.000 0.248 836 G HA3 -0.262 3.593 3.960 -0.175 0.000 0.248 836 G C 0.293 175.253 174.900 0.101 0.000 0.991 836 G CA 0.509 45.661 45.100 0.087 0.000 0.689 836 G HN 0.486 nan 8.290 nan 0.000 0.522 837 T N -0.481 114.122 114.554 0.081 0.000 2.934 837 T HA 0.586 4.831 4.350 -0.175 0.000 0.283 837 T C 0.205 174.953 174.700 0.080 0.000 1.005 837 T CA -0.379 61.772 62.100 0.084 0.000 1.041 837 T CB 2.650 71.560 68.868 0.070 0.000 1.042 837 T HN 0.517 nan 8.240 nan 0.000 0.505 838 V N 3.003 122.975 119.914 0.098 0.000 2.304 838 V HA 0.417 4.433 4.120 -0.175 0.000 0.278 838 V C 0.088 176.225 176.094 0.070 0.000 1.018 838 V CA -0.715 61.638 62.300 0.088 0.000 0.814 838 V CB 0.374 32.288 31.823 0.152 0.000 1.021 838 V HN 0.675 nan 8.190 nan 0.000 0.440 839 R N 2.472 123.000 120.500 0.048 0.000 2.589 839 R HA 0.641 4.876 4.340 -0.175 0.000 0.293 839 R C 0.344 176.671 176.300 0.045 0.000 0.963 839 R CA -0.452 55.680 56.100 0.052 0.000 0.905 839 R CB 2.204 32.532 30.300 0.048 0.000 1.144 839 R HN 0.754 nan 8.270 nan 0.000 0.459 840 S N 1.621 117.364 115.700 0.072 0.000 2.608 840 S HA 0.132 4.497 4.470 -0.175 0.000 0.261 840 S C 1.071 175.683 174.600 0.019 0.000 1.314 840 S CA -0.637 57.609 58.200 0.077 0.000 0.992 840 S CB 0.455 63.762 63.200 0.177 0.000 0.935 840 S HN 0.598 nan 8.310 nan 0.000 0.564 841 L N 0.653 121.820 121.223 -0.094 0.000 2.675 841 L HA 0.062 4.297 4.340 -0.175 0.000 0.238 841 L C 0.635 177.283 176.870 -0.370 0.000 1.155 841 L CA 0.549 55.240 54.840 -0.247 0.000 0.881 841 L CB -0.760 41.097 42.059 -0.338 0.000 1.008 841 L HN 0.725 nan 8.230 nan 0.000 0.443 842 Y N -1.167 119.143 120.300 0.016 0.000 2.498 842 Y HA 0.314 4.759 4.550 -0.175 0.000 0.259 842 Y C 1.863 177.776 175.900 0.022 0.000 1.086 842 Y CA 0.344 58.455 58.100 0.018 0.000 1.287 842 Y CB 0.702 39.171 38.460 0.015 0.000 1.146 842 Y HN 0.096 nan 8.280 nan 0.000 0.523 843 G N 0.352 109.241 108.800 0.149 0.000 2.175 843 G HA2 -0.188 3.667 3.960 -0.175 0.000 0.182 843 G HA3 -0.188 3.667 3.960 -0.175 0.000 0.182 843 G C -0.398 174.560 174.900 0.097 0.000 1.003 843 G CA -0.571 44.589 45.100 0.099 0.000 0.666 843 G HN 0.292 nan 8.290 nan 0.000 0.506 844 E N 0.701 120.972 120.200 0.118 0.000 2.290 844 E HA 0.410 4.655 4.350 -0.175 0.000 0.277 844 E C 0.163 176.810 176.600 0.078 0.000 1.035 844 E CA -0.510 55.946 56.400 0.093 0.000 0.873 844 E CB 2.163 31.920 29.700 0.095 0.000 1.029 844 E HN 0.087 nan 8.360 nan 0.000 0.419 845 V N 5.278 125.232 119.914 0.065 0.000 2.405 845 V HA -0.018 3.997 4.120 -0.175 0.000 0.264 845 V C 0.812 176.942 176.094 0.060 0.000 1.048 845 V CA 0.260 62.597 62.300 0.061 0.000 0.966 845 V CB 0.401 32.257 31.823 0.055 0.000 1.015 845 V HN 0.676 nan 8.190 nan 0.000 0.477 846 I N 3.296 123.905 120.570 0.065 0.000 2.628 846 I HA 0.107 4.173 4.170 -0.175 0.000 0.255 846 I C 1.108 177.262 176.117 0.061 0.000 1.119 846 I CA 1.092 62.429 61.300 0.062 0.000 1.448 846 I CB 0.212 38.253 38.000 0.068 0.000 1.133 846 I HN 0.591 nan 8.210 nan 0.000 0.438 847 Q N 0.357 120.202 119.800 0.075 0.000 2.290 847 Q HA 0.401 4.637 4.340 -0.175 0.000 0.269 847 Q C -1.142 174.905 176.000 0.078 0.000 1.016 847 Q CA -0.475 55.373 55.803 0.075 0.000 0.754 847 Q CB 2.772 31.570 28.738 0.101 0.000 1.247 847 Q HN -0.102 nan 8.270 nan 0.000 0.451 848 V N 2.312 122.262 119.914 0.060 0.000 2.326 848 V HA 0.457 4.472 4.120 -0.175 0.000 0.249 848 V C 0.092 176.225 176.094 0.064 0.000 1.114 848 V CA 0.182 62.518 62.300 0.060 0.000 1.028 848 V CB -0.491 31.359 31.823 0.046 0.000 1.170 848 V HN 0.906 nan 8.190 nan 0.000 0.494 849 A N 4.593 127.466 122.820 0.089 0.000 2.435 849 A HA -0.114 4.101 4.320 -0.175 0.000 0.686 849 A C -0.681 176.979 177.584 0.126 0.000 0.138 849 A CA -0.724 51.374 52.037 0.102 0.000 0.025 849 A CB -1.560 17.480 19.000 0.066 0.000 3.974 849 A HN 1.291 nan 8.150 nan 0.000 0.548 850 Y N 2.694 123.022 120.300 0.047 0.000 2.569 850 Y HA 0.399 4.844 4.550 -0.175 0.000 0.332 850 Y C 1.422 177.349 175.900 0.045 0.000 1.120 850 Y CA 1.085 59.214 58.100 0.050 0.000 1.416 850 Y CB 0.542 39.042 38.460 0.066 0.000 1.210 850 Y HN 2.536 nan 8.280 nan 0.000 0.528 851 G N 5.569 113.988 108.800 -0.634 0.000 2.379 851 G HA2 -0.365 3.490 3.960 -0.175 0.000 0.297 851 G HA3 -0.365 3.490 3.960 -0.175 0.000 0.297 851 G C 0.495 175.237 174.900 -0.263 0.000 1.004 851 G CA 0.719 45.461 45.100 -0.595 0.000 0.921 851 G HN 0.937 nan 8.290 nan 0.000 0.511 852 D N -1.318 119.003 120.400 -0.131 0.000 3.958 852 D HA -0.204 4.331 4.640 -0.175 0.000 0.210 852 D C 1.238 177.525 176.300 -0.021 0.000 1.329 852 D CA 2.142 56.109 54.000 -0.055 0.000 2.355 852 D CB -1.281 39.488 40.800 -0.053 0.000 1.233 852 D HN 0.434 nan 8.370 nan 0.000 0.407 853 D N -0.363 120.020 120.400 -0.028 0.000 2.078 853 D HA 0.118 4.653 4.640 -0.175 0.000 0.193 853 D C 1.929 178.272 176.300 0.073 0.000 0.990 853 D CA 3.133 57.149 54.000 0.026 0.000 0.827 853 D CB -0.344 40.478 40.800 0.037 0.000 0.975 853 D HN 0.616 nan 8.370 nan 0.000 0.451 854 G N -1.415 107.458 108.800 0.121 0.000 2.227 854 G HA2 -0.174 3.681 3.960 -0.175 0.000 0.168 854 G HA3 -0.174 3.681 3.960 -0.175 0.000 0.168 854 G C -0.001 175.054 174.900 0.259 0.000 1.006 854 G CA 0.202 45.417 45.100 0.192 0.000 0.684 854 G HN 0.298 nan 8.290 nan 0.000 0.489 855 V N 1.401 121.469 119.914 0.257 0.000 2.547 855 V HA 0.695 4.710 4.120 -0.175 0.000 0.299 855 V C -0.055 176.264 176.094 0.374 0.000 1.040 855 V CA -0.894 61.574 62.300 0.281 0.000 0.913 855 V CB 1.695 33.634 31.823 0.193 0.000 0.992 855 V HN 0.304 nan 8.190 nan 0.000 0.449 856 F N 7.702 127.758 119.950 0.178 0.000 2.424 856 F HA 0.419 4.841 4.527 -0.174 0.000 0.356 856 F C -1.089 174.666 175.800 -0.076 0.000 1.110 856 F CA -2.153 55.857 58.000 0.017 0.000 1.161 856 F CB 1.613 40.452 39.000 -0.268 0.000 1.115 856 F HN 0.393 nan 8.300 nan 0.000 0.507 857 P HA -0.291 nan 4.420 nan 0.000 0.217 857 P C 1.767 178.827 177.300 -0.399 0.000 1.148 857 P CA 1.679 64.530 63.100 -0.416 0.000 0.834 857 P CB -0.061 31.364 31.700 -0.459 0.000 0.783 858 M N -1.615 117.626 119.600 -0.599 0.000 2.254 858 M HA -0.137 4.238 4.480 -0.175 0.000 0.265 858 M C 1.281 177.569 176.300 -0.020 0.000 1.066 858 M CA 1.727 56.865 55.300 -0.269 0.000 1.123 858 M CB -0.220 32.323 32.600 -0.096 0.000 1.388 858 M HN -0.142 nan 8.290 nan 0.000 0.425 859 Y N 0.013 120.450 120.300 0.228 0.000 2.490 859 Y HA 0.206 4.651 4.550 -0.174 0.000 0.281 859 Y C 1.641 177.622 175.900 0.135 0.000 1.174 859 Y CA -0.291 57.907 58.100 0.164 0.000 1.295 859 Y CB -1.147 37.415 38.460 0.170 0.000 1.062 859 Y HN 0.232 nan 8.280 nan 0.000 0.522 860 S N -0.733 115.089 115.700 0.203 0.000 2.590 860 S HA 0.758 5.123 4.470 -0.175 0.000 0.282 860 S C 1.303 175.996 174.600 0.154 0.000 1.136 860 S CA -0.234 58.067 58.200 0.169 0.000 1.030 860 S CB 1.081 64.352 63.200 0.117 0.000 1.195 860 S HN 0.103 nan 8.310 nan 0.000 0.506 861 A N -0.957 121.954 122.820 0.151 0.000 1.969 861 A HA 0.365 4.581 4.320 -0.175 0.000 0.205 861 A C 1.614 179.181 177.584 -0.028 0.000 1.364 861 A CA 0.234 52.349 52.037 0.130 0.000 0.756 861 A CB -0.462 18.673 19.000 0.226 0.000 0.988 861 A HN 0.892 nan 8.150 nan 0.000 0.490 862 H N -2.345 116.804 119.070 0.131 0.000 1.690 862 H HA 0.197 4.648 4.556 -0.175 0.000 0.146 862 H C 1.106 176.475 175.328 0.070 0.000 1.057 862 H CA 0.437 56.542 56.048 0.095 0.000 1.041 862 H CB 0.073 29.890 29.762 0.092 0.000 0.775 862 H HN 0.500 nan 8.280 nan 0.000 0.305 863 G N 1.182 110.110 108.800 0.212 0.000 2.938 863 G HA2 0.400 4.255 3.960 -0.175 0.000 0.258 863 G HA3 0.400 4.255 3.960 -0.175 0.000 0.258 863 G C -0.646 174.332 174.900 0.131 0.000 1.356 863 G CA -0.725 44.454 45.100 0.132 0.000 1.052 863 G HN 0.158 nan 8.290 nan 0.000 0.550 864 K N -0.026 120.438 120.400 0.106 0.000 2.262 864 K HA 0.488 4.703 4.320 -0.175 0.000 0.288 864 K C -0.975 175.688 176.600 0.104 0.000 1.090 864 K CA 0.058 56.410 56.287 0.108 0.000 0.918 864 K CB -0.029 32.526 32.500 0.092 0.000 1.139 864 K HN 0.431 nan 8.250 nan 0.000 0.462 865 T N 0.647 115.274 114.554 0.122 0.000 1.451 865 T HA -0.130 4.115 4.350 -0.175 0.000 0.669 865 T C -0.071 174.695 174.700 0.110 0.000 0.957 865 T CA -0.019 62.146 62.100 0.108 0.000 3.547 865 T CB -1.195 67.718 68.868 0.076 0.000 2.038 865 T HN 0.467 nan 8.240 nan 0.000 0.411 866 V N 3.721 123.721 119.914 0.143 0.000 2.377 866 V HA 0.049 4.064 4.120 -0.175 0.000 0.254 866 V C 1.664 177.786 176.094 0.046 0.000 1.060 866 V CA 0.212 62.593 62.300 0.135 0.000 1.068 866 V CB 0.345 32.323 31.823 0.258 0.000 1.113 866 V HN 0.877 nan 8.190 nan 0.000 0.484 867 D N 2.895 123.321 120.400 0.044 0.000 2.190 867 D HA -0.151 4.384 4.640 -0.175 0.000 0.200 867 D C 1.580 177.887 176.300 0.011 0.000 0.992 867 D CA 1.188 55.203 54.000 0.025 0.000 0.854 867 D CB 0.098 40.916 40.800 0.031 0.000 0.936 867 D HN 0.525 nan 8.370 nan 0.000 0.462 868 V N 0.173 120.085 119.914 -0.004 0.000 3.646 868 V HA 0.088 4.103 4.120 -0.175 0.000 0.277 868 V C 1.302 177.344 176.094 -0.087 0.000 1.274 868 V CA 0.484 62.775 62.300 -0.015 0.000 1.164 868 V CB -0.344 31.450 31.823 -0.049 0.000 0.926 868 V HN 0.143 nan 8.190 nan 0.000 0.442 869 N N 0.958 119.568 118.700 -0.149 0.000 2.545 869 N HA 0.032 4.667 4.740 -0.175 0.000 0.190 869 N C 1.927 177.340 175.510 -0.160 0.000 1.043 869 N CA 0.482 53.340 53.050 -0.321 0.000 0.879 869 N CB 0.159 38.147 38.487 -0.831 0.000 1.210 869 N HN 0.315 nan 8.380 nan 0.000 0.437 870 R N 0.369 120.804 120.500 -0.107 0.000 2.148 870 R HA 0.028 4.263 4.340 -0.175 0.000 0.227 870 R C 2.069 178.373 176.300 0.007 0.000 1.103 870 R CA 1.000 57.069 56.100 -0.052 0.000 0.983 870 R CB -0.445 29.835 30.300 -0.033 0.000 0.874 870 R HN 0.333 nan 8.270 nan 0.000 0.451 871 I N 0.326 120.925 120.570 0.048 0.000 2.394 871 I HA -0.218 3.847 4.170 -0.175 0.000 0.251 871 I C 1.146 177.321 176.117 0.097 0.000 1.136 871 I CA 1.300 62.641 61.300 0.069 0.000 1.425 871 I CB 0.091 38.142 38.000 0.086 0.000 1.079 871 I HN -0.006 nan 8.210 nan 0.000 0.425 872 F N 1.204 121.097 119.950 -0.095 0.000 2.661 872 F HA -0.008 4.414 4.527 -0.174 0.000 0.298 872 F C 2.314 178.079 175.800 -0.059 0.000 1.137 872 F CA 0.743 58.692 58.000 -0.084 0.000 1.454 872 F CB -0.291 38.623 39.000 -0.142 0.000 1.103 872 F HN 0.137 nan 8.300 nan 0.000 0.577 873 E N -0.345 119.899 120.200 0.073 0.000 2.051 873 E HA -0.072 4.173 4.350 -0.175 0.000 0.189 873 E C 2.073 178.744 176.600 0.118 0.000 0.979 873 E CA 0.648 57.077 56.400 0.048 0.000 0.803 873 E CB 0.109 29.807 29.700 -0.004 0.000 0.761 873 E HN 0.199 nan 8.360 nan 0.000 0.451 874 R N 0.225 120.775 120.500 0.085 0.000 2.237 874 R HA 0.163 4.399 4.340 -0.175 0.000 0.195 874 R C 1.140 177.468 176.300 0.047 0.000 0.956 874 R CA 0.243 56.387 56.100 0.075 0.000 1.029 874 R CB 0.404 30.688 30.300 -0.027 0.000 0.972 874 R HN 0.012 nan 8.270 nan 0.000 0.493 875 V N -1.033 118.910 119.914 0.050 0.000 3.485 875 V HA 0.226 4.242 4.120 -0.175 0.000 0.293 875 V C 1.883 178.048 176.094 0.118 0.000 1.253 875 V CA -0.437 61.898 62.300 0.058 0.000 0.991 875 V CB 1.076 32.849 31.823 -0.085 0.000 1.252 875 V HN -0.069 nan 8.190 nan 0.000 0.473 876 V N 0.033 119.921 119.914 -0.043 0.000 0.735 876 V HA -0.321 3.694 4.120 -0.175 0.000 0.053 876 V C 1.776 177.867 176.094 -0.004 0.000 2.562 876 V CA 2.475 64.607 62.300 -0.280 0.000 3.564 876 V CB -1.418 29.707 31.823 -1.164 0.000 1.229 876 V HN 1.237 nan 8.190 nan 0.000 1.090 877 G N -2.584 106.256 108.800 0.066 0.000 2.625 877 G HA2 -0.191 3.664 3.960 -0.175 0.000 0.214 877 G HA3 -0.191 3.664 3.960 -0.175 0.000 0.214 877 G C 0.911 175.473 174.900 -0.563 0.000 1.132 877 G CA 1.029 45.908 45.100 -0.368 0.000 0.782 877 G HN 0.751 nan 8.290 nan 0.000 0.538 878 W N -0.401 120.878 121.300 -0.035 0.000 2.773 878 W HA 0.372 4.927 4.660 -0.175 0.000 0.297 878 W C 0.768 177.266 176.519 -0.035 0.000 1.050 878 W CA -0.377 56.951 57.345 -0.027 0.000 1.467 878 W CB 0.843 30.281 29.460 -0.037 0.000 0.977 878 W HN 0.056 nan 8.180 nan 0.000 0.573 879 K N 0.000 120.489 120.400 0.149 0.000 2.780 879 K HA 0.000 4.215 4.320 -0.175 0.000 0.191 879 K CA 0.000 56.315 56.287 0.046 0.000 0.838 879 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 879 K HN 0.000 nan 8.250 nan 0.000 0.543