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_W 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 0.407 119.106 118.700 -0.001 0.000 2.402 5 N HA 0.554 5.293 4.740 -0.002 0.000 0.294 5 N C -0.994 174.514 175.510 -0.002 0.000 1.203 5 N CA -0.591 52.458 53.050 -0.001 0.000 0.838 5 N CB 1.042 39.529 38.487 0.001 0.000 1.306 5 N HN 0.363 nan 8.380 nan 0.000 0.510 6 I N 1.350 121.919 120.570 -0.002 0.000 2.342 6 I HA 0.164 4.333 4.170 -0.002 0.000 0.291 6 I C 1.650 177.767 176.117 0.000 0.000 1.010 6 I CA -0.240 61.057 61.300 -0.005 0.000 1.308 6 I CB 1.366 39.361 38.000 -0.008 0.000 1.400 6 I HN 0.544 nan 8.210 nan 0.000 0.488 7 K N 5.004 125.404 120.400 -0.001 0.000 2.067 7 K HA 0.176 4.495 4.320 -0.002 0.000 0.203 7 K C 0.692 177.300 176.600 0.013 0.000 1.048 7 K CA 0.902 57.192 56.287 0.006 0.000 0.954 7 K CB 0.355 32.858 32.500 0.006 0.000 0.737 7 K HN 0.848 nan 8.250 nan 0.000 0.444 8 G N 0.066 108.869 108.800 0.006 0.000 2.634 8 G HA2 0.482 4.441 3.960 -0.002 0.000 0.309 8 G HA3 0.482 4.441 3.960 -0.002 0.000 0.309 8 G C -1.657 173.228 174.900 -0.025 0.000 1.299 8 G CA -0.850 44.259 45.100 0.015 0.000 0.798 8 G HN 0.090 nan 8.290 nan 0.000 0.490 9 I N 0.476 121.026 120.570 -0.035 0.000 2.512 9 I HA 0.308 4.477 4.170 -0.002 0.000 0.287 9 I C -0.527 175.498 176.117 -0.154 0.000 1.069 9 I CA -0.649 60.536 61.300 -0.190 0.000 1.056 9 I CB 2.513 40.259 38.000 -0.423 0.000 1.229 9 I HN 0.243 nan 8.210 nan 0.000 0.429 10 K N 6.203 126.511 120.400 -0.152 0.000 2.187 10 K HA 0.322 4.641 4.320 -0.002 0.000 0.242 10 K C -0.584 175.976 176.600 -0.066 0.000 1.179 10 K CA -0.294 55.961 56.287 -0.053 0.000 1.097 10 K CB -0.006 32.477 32.500 -0.029 0.000 1.634 10 K HN 0.269 nan 8.250 nan 0.000 0.335 11 F N 0.875 120.848 119.950 0.037 0.000 2.545 11 F HA 0.211 4.737 4.527 -0.002 0.000 0.348 11 F C 1.518 177.349 175.800 0.053 0.000 1.163 11 F CA 1.039 59.066 58.000 0.044 0.000 1.331 11 F CB 0.779 39.809 39.000 0.050 0.000 1.138 11 F HN 0.510 nan 8.300 nan 0.000 0.602 12 G N 1.456 110.428 108.800 0.285 0.000 2.342 12 G HA2 0.436 4.395 3.960 -0.002 0.000 0.297 12 G HA3 0.436 4.395 3.960 -0.002 0.000 0.297 12 G C -1.829 173.183 174.900 0.186 0.000 1.313 12 G CA -1.059 44.162 45.100 0.201 0.000 0.830 12 G HN 0.498 nan 8.290 nan 0.000 0.506 13 I N 0.532 121.202 120.570 0.167 0.000 2.353 13 I HA 0.314 4.483 4.170 -0.002 0.000 0.293 13 I C -0.300 175.867 176.117 0.084 0.000 0.992 13 I CA -0.725 60.656 61.300 0.136 0.000 1.268 13 I CB 1.703 39.716 38.000 0.022 0.000 1.387 13 I HN 0.250 nan 8.210 nan 0.000 0.478 14 L N 7.101 128.310 121.223 -0.023 0.000 2.407 14 L HA 0.128 4.467 4.340 -0.002 0.000 0.282 14 L C 0.669 177.303 176.870 -0.394 0.000 1.110 14 L CA 0.280 55.013 54.840 -0.180 0.000 0.863 14 L CB 0.183 42.149 42.059 -0.155 0.000 1.207 14 L HN 0.714 nan 8.230 nan 0.000 0.454 15 S N 4.950 120.177 115.700 -0.788 0.000 2.562 15 S HA 0.246 4.715 4.470 -0.002 0.000 0.281 15 S C -1.681 172.406 174.600 -0.856 0.000 1.333 15 S CA -0.902 56.359 58.200 -1.566 0.000 1.052 15 S CB 0.460 62.367 63.200 -2.155 0.000 0.884 15 S HN 0.549 nan 8.310 nan 0.000 0.506 16 P HA -0.093 nan 4.420 nan 0.000 0.220 16 P C 0.302 177.407 177.300 -0.326 0.000 1.144 16 P CA 1.281 64.158 63.100 -0.371 0.000 0.800 16 P CB -0.080 31.489 31.700 -0.217 0.000 0.772 17 D N -0.298 119.879 120.400 -0.371 0.000 2.077 17 D HA -0.153 4.486 4.640 -0.002 0.000 0.196 17 D C 1.875 178.029 176.300 -0.244 0.000 0.986 17 D CA 1.133 54.982 54.000 -0.252 0.000 0.829 17 D CB -0.665 40.001 40.800 -0.223 0.000 0.983 17 D HN 0.265 nan 8.370 nan 0.000 0.453 18 E N 0.068 120.093 120.200 -0.291 0.000 2.153 18 E HA -0.130 4.219 4.350 -0.002 0.000 0.194 18 E C 2.158 178.605 176.600 -0.256 0.000 0.988 18 E CA 0.486 56.741 56.400 -0.241 0.000 0.811 18 E CB -0.074 29.475 29.700 -0.252 0.000 0.746 18 E HN 0.343 nan 8.360 nan 0.000 0.466 19 I N 0.751 121.118 120.570 -0.338 0.000 2.127 19 I HA -0.317 3.852 4.170 -0.002 0.000 0.241 19 I C 2.481 178.200 176.117 -0.664 0.000 1.075 19 I CA 1.380 62.384 61.300 -0.494 0.000 1.334 19 I CB -0.268 37.441 38.000 -0.485 0.000 1.040 19 I HN 0.012 nan 8.210 nan 0.000 0.405 20 R N 0.741 120.980 120.500 -0.435 0.000 2.092 20 R HA -0.090 4.249 4.340 -0.002 0.000 0.231 20 R C 0.711 176.964 176.300 -0.079 0.000 1.119 20 R CA 0.558 56.509 56.100 -0.249 0.000 0.970 20 R CB -0.270 29.944 30.300 -0.143 0.000 0.864 20 R HN 0.041 nan 8.270 nan 0.000 0.440 21 K N 1.241 121.589 120.400 -0.088 0.000 2.365 21 K HA -0.150 4.169 4.320 -0.002 0.000 0.268 21 K C 0.532 177.148 176.600 0.028 0.000 1.173 21 K CA 0.671 56.940 56.287 -0.031 0.000 1.204 21 K CB 0.040 32.510 32.500 -0.050 0.000 0.832 21 K HN 0.119 nan 8.250 nan 0.000 0.481 22 M N 0.276 119.899 119.600 0.039 0.000 2.871 22 M HA -0.358 4.121 4.480 -0.002 0.000 0.174 22 M C 0.493 176.848 176.300 0.092 0.000 0.655 22 M CA 1.218 56.551 55.300 0.055 0.000 0.654 22 M CB -2.519 30.106 32.600 0.042 0.000 2.369 22 M HN 0.610 nan 8.290 nan 0.000 0.306 23 S N -0.087 115.704 115.700 0.151 0.000 2.074 23 S HA 0.503 4.972 4.470 -0.002 0.000 0.169 23 S C 0.778 175.460 174.600 0.137 0.000 1.394 23 S CA 0.363 58.686 58.200 0.205 0.000 1.971 23 S CB 0.265 63.739 63.200 0.456 0.000 0.449 23 S HN 0.573 nan 8.310 nan 0.000 0.364 24 V N -2.314 117.671 119.914 0.119 0.000 3.242 24 V HA 0.708 4.827 4.120 -0.002 0.000 0.298 24 V C -1.291 174.827 176.094 0.040 0.000 1.352 24 V CA -0.867 61.462 62.300 0.049 0.000 1.052 24 V CB 1.599 33.418 31.823 -0.008 0.000 1.101 24 V HN 0.583 nan 8.190 nan 0.000 0.446 25 T N 1.795 116.374 114.554 0.040 0.000 2.949 25 T HA 0.790 5.139 4.350 -0.002 0.000 0.300 25 T C 0.067 174.779 174.700 0.020 0.000 0.988 25 T CA 0.221 62.353 62.100 0.053 0.000 0.993 25 T CB 1.393 70.309 68.868 0.080 0.000 0.984 25 T HN 1.453 nan 8.240 nan 0.000 0.442 26 A N 2.870 125.695 122.820 0.009 0.000 2.406 26 A HA 0.720 5.039 4.320 -0.002 0.000 0.243 26 A C 0.652 178.238 177.584 0.004 0.000 1.082 26 A CA -0.084 51.951 52.037 -0.004 0.000 0.786 26 A CB 0.064 19.055 19.000 -0.015 0.000 1.029 26 A HN 0.931 nan 8.150 nan 0.000 0.495 27 I N 0.022 120.591 120.570 -0.003 0.000 4.193 27 I HA 0.193 4.362 4.170 -0.002 0.000 0.287 27 I C 0.317 176.431 176.117 -0.006 0.000 1.175 27 I CA 0.120 61.420 61.300 -0.000 0.000 1.320 27 I CB -0.014 37.987 38.000 0.002 0.000 1.523 27 I HN 0.460 nan 8.210 nan 0.000 0.450 28 I N 0.904 121.469 120.570 -0.010 0.000 2.713 28 I HA 0.101 4.270 4.170 -0.002 0.000 0.300 28 I C 1.090 177.196 176.117 -0.019 0.000 1.009 28 I CA 0.334 61.627 61.300 -0.012 0.000 1.305 28 I CB 1.799 39.792 38.000 -0.011 0.000 1.430 28 I HN 0.088 nan 8.210 nan 0.000 0.546 29 T N 2.080 116.622 114.554 -0.021 0.000 3.044 29 T HA 0.175 4.524 4.350 -0.002 0.000 0.237 29 T C -1.520 173.165 174.700 -0.025 0.000 1.001 29 T CA 0.060 62.142 62.100 -0.030 0.000 1.160 29 T CB -0.604 68.244 68.868 -0.034 0.000 0.889 29 T HN 0.504 nan 8.240 nan 0.000 0.442 46 D N 0.325 120.709 120.400 -0.027 0.000 2.486 46 D HA 0.337 4.976 4.640 -0.002 0.000 0.243 46 D C -2.390 173.891 176.300 -0.032 0.000 1.146 46 D CA 0.475 54.459 54.000 -0.027 0.000 0.821 46 D CB 0.865 41.653 40.800 -0.021 0.000 1.201 46 D HN 0.368 nan 8.370 nan 0.000 0.525 47 P HA 0.497 nan 4.420 nan 0.000 0.295 47 P C -0.053 177.212 177.300 -0.058 0.000 1.319 47 P CA -0.310 62.764 63.100 -0.043 0.000 0.940 47 P CB 2.522 34.200 31.700 -0.037 0.000 1.192 48 R N -0.593 119.857 120.500 -0.083 0.000 3.584 48 R HA -0.117 4.221 4.340 -0.002 0.000 0.488 48 R C -0.226 175.988 176.300 -0.144 0.000 0.869 48 R CA 0.606 56.630 56.100 -0.127 0.000 1.325 48 R CB -1.887 28.358 30.300 -0.091 0.000 2.015 48 R HN 0.323 nan 8.270 nan 0.000 0.489 49 L N -0.261 120.914 121.223 -0.080 0.000 3.014 49 L HA 0.538 4.877 4.340 -0.002 0.000 0.263 49 L C 0.828 177.724 176.870 0.044 0.000 1.207 49 L CA 0.875 55.704 54.840 -0.019 0.000 1.017 49 L CB 1.288 43.319 42.059 -0.045 0.000 1.360 49 L HN 0.420 nan 8.230 nan 0.000 0.560 50 G N -0.277 108.538 108.800 0.024 0.000 2.371 50 G HA2 0.251 4.210 3.960 -0.002 0.000 0.663 50 G HA3 0.251 4.210 3.960 -0.002 0.000 0.663 50 G C -1.250 173.658 174.900 0.012 0.000 1.311 50 G CA -0.511 44.635 45.100 0.077 0.000 0.985 50 G HN 0.270 nan 8.290 nan 0.000 0.566 51 V N -1.378 118.547 119.914 0.018 0.000 2.385 51 V HA 0.669 4.788 4.120 -0.002 0.000 0.277 51 V C 0.548 176.641 176.094 -0.001 0.000 1.012 51 V CA -0.609 61.692 62.300 0.001 0.000 0.832 51 V CB 0.537 32.361 31.823 0.002 0.000 1.028 51 V HN 1.410 nan 8.190 nan 0.000 0.436 52 I N 0.927 121.493 120.570 -0.007 0.000 2.556 52 I HA 0.598 4.767 4.170 -0.002 0.000 0.284 52 I C 0.354 176.466 176.117 -0.009 0.000 1.114 52 I CA 0.241 61.535 61.300 -0.010 0.000 1.418 52 I CB -0.004 37.988 38.000 -0.013 0.000 1.394 52 I HN 0.872 nan 8.210 nan 0.000 0.552 53 E N 3.240 123.434 120.200 -0.009 0.000 8.367 53 E HA -0.145 4.204 4.350 -0.002 0.000 0.467 53 E C -2.353 174.243 176.600 -0.006 0.000 0.968 53 E CA -0.367 56.028 56.400 -0.008 0.000 1.684 53 E CB -0.844 28.851 29.700 -0.009 0.000 0.997 53 E HN 0.662 nan 8.360 nan 0.000 0.275 54 P HA 0.006 nan 4.420 nan 0.000 0.264 54 P C 0.336 177.635 177.300 -0.003 0.000 1.179 54 P CA 1.078 64.176 63.100 -0.003 0.000 0.763 54 P CB 0.879 32.578 31.700 -0.002 0.000 0.806 55 G N 1.871 110.670 108.800 -0.002 0.000 2.528 55 G HA2 0.028 3.987 3.960 -0.002 0.000 0.078 55 G HA3 0.028 3.987 3.960 -0.002 0.000 0.078 55 G C -0.854 174.044 174.900 -0.003 0.000 1.008 55 G CA -0.351 44.747 45.100 -0.003 0.000 1.309 55 G HN 0.504 nan 8.290 nan 0.000 0.564 56 Q N 0.183 119.979 119.800 -0.006 0.000 2.239 56 Q HA 0.588 4.927 4.340 -0.002 0.000 0.193 56 Q C -0.500 175.496 176.000 -0.007 0.000 1.004 56 Q CA -0.582 55.217 55.803 -0.007 0.000 1.040 56 Q CB 1.207 29.939 28.738 -0.010 0.000 1.149 56 Q HN 0.306 nan 8.270 nan 0.000 0.535 57 K N -0.204 120.191 120.400 -0.009 0.000 2.132 57 K HA 0.296 4.615 4.320 -0.002 0.000 0.241 57 K C -0.706 175.884 176.600 -0.018 0.000 1.000 57 K CA -0.629 55.652 56.287 -0.009 0.000 0.911 57 K CB 1.106 33.602 32.500 -0.008 0.000 1.093 57 K HN 0.462 nan 8.250 nan 0.000 0.460 58 c N 2.881 121.471 118.600 -0.016 0.000 2.627 58 c HA 0.154 4.723 4.570 -0.002 0.000 0.404 58 c C -1.291 172.757 174.090 -0.069 0.000 1.340 58 c CA -1.662 54.644 56.329 -0.039 0.000 1.758 58 c CB -0.341 42.163 42.510 -0.010 0.000 2.501 58 c HN 0.604 nan 8.230 nan 0.000 0.588 59 P HA -0.074 nan 4.420 nan 0.000 0.215 59 P C 1.608 178.839 177.300 -0.115 0.000 1.157 59 P CA 1.671 64.717 63.100 -0.090 0.000 0.859 59 P CB -0.023 31.623 31.700 -0.090 0.000 0.786 60 T N -2.806 111.624 114.554 -0.206 0.000 3.088 60 T HA 0.002 4.351 4.350 -0.002 0.000 0.259 60 T C 1.070 175.676 174.700 -0.157 0.000 1.122 60 T CA 1.203 63.167 62.100 -0.227 0.000 1.095 60 T CB -0.581 68.033 68.868 -0.424 0.000 0.930 60 T HN 0.189 nan 8.240 nan 0.000 0.508 61 c N -1.902 116.625 118.600 -0.122 0.000 3.385 61 c HA 0.814 5.383 4.570 -0.002 0.000 0.102 61 c C 1.258 175.340 174.090 -0.013 0.000 2.646 61 c CA 0.062 56.376 56.329 -0.024 0.000 0.920 61 c CB 0.411 42.955 42.510 0.057 0.000 1.721 61 c HN 0.450 nan 8.230 nan 0.000 0.604 62 G N 2.070 110.871 108.800 0.002 0.000 2.423 62 G HA2 0.176 4.135 3.960 -0.002 0.000 0.234 62 G HA3 0.176 4.135 3.960 -0.002 0.000 0.234 62 G C -1.582 173.326 174.900 0.012 0.000 2.480 62 G CA -0.475 44.626 45.100 0.001 0.000 0.953 62 G HN 0.674 nan 8.290 nan 0.000 0.575 63 N N 1.075 119.787 118.700 0.021 0.000 2.407 63 N HA 0.597 5.336 4.740 -0.002 0.000 0.277 63 N C 0.274 175.792 175.510 0.014 0.000 0.995 63 N CA -0.436 52.626 53.050 0.020 0.000 0.903 63 N CB 1.439 39.942 38.487 0.027 0.000 1.218 63 N HN 0.214 nan 8.380 nan 0.000 0.487 64 T N 2.387 116.947 114.554 0.009 0.000 2.937 64 T HA 0.236 4.585 4.350 -0.002 0.000 0.316 64 T C 0.823 175.527 174.700 0.007 0.000 1.079 64 T CA -0.170 61.934 62.100 0.007 0.000 1.131 64 T CB 0.001 68.872 68.868 0.006 0.000 1.000 64 T HN 0.421 nan 8.240 nan 0.000 0.549 65 L N 0.150 121.376 121.223 0.004 0.000 5.621 65 L HA -0.202 4.137 4.340 -0.002 0.000 0.281 65 L C 1.717 178.590 176.870 0.005 0.000 1.106 65 L CA 0.698 55.539 54.840 0.003 0.000 1.259 65 L CB -1.173 40.886 42.059 0.001 0.000 2.049 65 L HN 0.881 nan 8.230 nan 0.000 0.852 66 G N -0.168 108.633 108.800 0.001 0.000 3.094 66 G HA2 -0.113 3.846 3.960 -0.002 0.000 0.208 66 G HA3 -0.113 3.846 3.960 -0.002 0.000 0.208 66 G C 0.777 175.678 174.900 0.002 0.000 1.189 66 G CA 0.617 45.717 45.100 -0.000 0.000 0.856 66 G HN 0.618 nan 8.290 nan 0.000 0.510 67 N N -0.111 118.593 118.700 0.007 0.000 2.413 67 N HA -0.020 4.719 4.740 -0.002 0.000 0.207 67 N C -0.298 175.225 175.510 0.022 0.000 1.206 67 N CA -0.036 53.019 53.050 0.008 0.000 0.832 67 N CB -0.018 38.474 38.487 0.008 0.000 1.037 67 N HN 0.137 nan 8.380 nan 0.000 0.467 68 c N 1.763 120.384 118.600 0.035 0.000 3.465 68 c HA 0.463 5.032 4.570 -0.002 0.000 0.193 68 c C -2.615 171.536 174.090 0.101 0.000 1.515 68 c CA -1.319 55.063 56.329 0.089 0.000 1.340 68 c CB -0.423 42.150 42.510 0.106 0.000 1.928 68 c HN 0.269 nan 8.230 nan 0.000 0.510 69 P HA 0.645 nan 4.420 nan 0.000 0.285 69 P C -0.052 177.029 177.300 -0.365 0.000 1.280 69 P CA 0.435 63.465 63.100 -0.117 0.000 0.862 69 P CB 1.190 32.841 31.700 -0.081 0.000 1.153 70 G N 0.924 109.465 108.800 -0.433 0.000 2.963 70 G HA2 -0.061 3.898 3.960 -0.002 0.000 0.262 70 G HA3 -0.061 3.898 3.960 -0.002 0.000 0.262 70 G C -0.915 173.527 174.900 -0.763 0.000 1.043 70 G CA -0.677 44.150 45.100 -0.456 0.000 1.223 70 G HN 0.763 nan 8.290 nan 0.000 0.574 71 H N 0.199 119.210 119.070 -0.099 0.000 3.181 71 H HA 0.377 4.932 4.556 -0.002 0.000 0.331 71 H C -0.817 174.418 175.328 -0.156 0.000 0.988 71 H CA -0.959 55.063 56.048 -0.045 0.000 1.449 71 H CB 0.978 30.711 29.762 -0.049 0.000 1.749 71 H HN 0.225 nan 8.280 nan 0.000 0.501 72 F N 1.473 121.431 119.950 0.012 0.000 2.411 72 F HA 0.404 4.930 4.527 -0.002 0.000 0.350 72 F C 1.381 176.905 175.800 -0.460 0.000 1.114 72 F CA -0.091 57.837 58.000 -0.121 0.000 1.135 72 F CB 1.424 40.436 39.000 0.020 0.000 1.120 72 F HN 0.571 nan 8.300 nan 0.000 0.495 73 G N 2.312 110.945 108.800 -0.278 0.000 2.528 73 G HA2 0.458 4.417 3.960 -0.002 0.000 0.289 73 G HA3 0.458 4.417 3.960 -0.002 0.000 0.289 73 G C -1.145 173.414 174.900 -0.568 0.000 1.192 73 G CA -0.320 44.554 45.100 -0.375 0.000 0.921 73 G HN 0.624 nan 8.290 nan 0.000 0.512 74 H N -1.008 118.115 119.070 0.088 0.000 2.996 74 H HA 0.428 4.983 4.556 -0.002 0.000 0.368 74 H C -0.958 174.396 175.328 0.044 0.000 1.185 74 H CA -0.511 55.582 56.048 0.076 0.000 1.160 74 H CB 1.955 31.755 29.762 0.064 0.000 1.820 74 H HN 0.293 nan 8.280 nan 0.000 0.547 75 I N 1.608 122.283 120.570 0.175 0.000 2.466 75 I HA 0.172 4.341 4.170 -0.002 0.000 0.289 75 I C -0.154 176.013 176.117 0.084 0.000 1.026 75 I CA -0.411 60.944 61.300 0.092 0.000 1.078 75 I CB 2.271 40.299 38.000 0.047 0.000 1.249 75 I HN 0.378 nan 8.210 nan 0.000 0.429 76 E N 6.378 126.617 120.200 0.064 0.000 2.081 76 E HA 0.334 4.683 4.350 -0.002 0.000 0.276 76 E C -1.107 175.525 176.600 0.053 0.000 0.950 76 E CA -0.781 55.651 56.400 0.053 0.000 0.776 76 E CB 1.238 30.963 29.700 0.041 0.000 1.094 76 E HN 0.257 nan 8.360 nan 0.000 0.402 77 L N 3.672 124.935 121.223 0.065 0.000 2.313 77 L HA 0.191 4.530 4.340 -0.002 0.000 0.282 77 L C 0.203 177.118 176.870 0.076 0.000 1.092 77 L CA -0.209 54.677 54.840 0.076 0.000 0.831 77 L CB 0.828 42.947 42.059 0.099 0.000 1.159 77 L HN 0.332 nan 8.230 nan 0.000 0.442 78 V N 7.086 127.042 119.914 0.070 0.000 2.387 78 V HA 0.399 4.518 4.120 -0.002 0.000 0.260 78 V C -0.169 175.977 176.094 0.087 0.000 1.054 78 V CA -0.211 62.127 62.300 0.063 0.000 0.967 78 V CB -0.247 31.603 31.823 0.045 0.000 1.036 78 V HN 0.883 nan 8.190 nan 0.000 0.481 79 R N 3.664 124.217 120.500 0.088 0.000 1.712 79 R HA -0.079 4.259 4.340 -0.002 0.000 0.399 79 R C -2.768 173.654 176.300 0.203 0.000 1.166 79 R CA 0.197 56.372 56.100 0.126 0.000 0.748 79 R CB -1.786 28.586 30.300 0.120 0.000 2.558 79 R HN 0.585 nan 8.270 nan 0.000 0.492 80 P HA 0.062 nan 4.420 nan 0.000 0.267 80 P C -0.511 176.929 177.300 0.233 0.000 1.201 80 P CA -0.230 62.981 63.100 0.185 0.000 0.775 80 P CB 0.628 32.419 31.700 0.151 0.000 0.854 81 V N 3.327 123.359 119.914 0.196 0.000 2.680 81 V HA 0.361 4.480 4.120 -0.002 0.000 0.309 81 V C 0.415 176.629 176.094 0.200 0.000 1.052 81 V CA -0.778 61.622 62.300 0.168 0.000 0.908 81 V CB 1.688 33.596 31.823 0.143 0.000 1.001 81 V HN 0.342 nan 8.190 nan 0.000 0.431 82 I N 3.430 124.099 120.570 0.166 0.000 2.529 82 I HA 0.215 4.384 4.170 -0.002 0.000 0.284 82 I C 0.466 176.757 176.117 0.290 0.000 1.082 82 I CA -0.167 61.258 61.300 0.208 0.000 1.406 82 I CB 0.234 38.322 38.000 0.148 0.000 1.405 82 I HN 0.645 nan 8.210 nan 0.000 0.548 83 H N 6.227 125.453 119.070 0.259 0.000 2.652 83 H HA 0.145 4.700 4.556 -0.002 0.000 0.298 83 H C 0.856 176.301 175.328 0.194 0.000 1.076 83 H CA -0.511 55.703 56.048 0.277 0.000 1.360 83 H CB 1.583 31.530 29.762 0.309 0.000 1.421 83 H HN 0.620 nan 8.280 nan 0.000 0.464 84 V N 3.183 123.024 119.914 -0.123 0.000 2.568 84 V HA -0.140 3.979 4.120 -0.002 0.000 0.253 84 V C 2.264 178.291 176.094 -0.112 0.000 1.072 84 V CA 1.796 64.047 62.300 -0.081 0.000 1.084 84 V CB -1.018 30.753 31.823 -0.087 0.000 0.676 84 V HN 0.767 nan 8.190 nan 0.000 0.469 85 G N -0.966 107.613 108.800 -0.368 0.000 2.509 85 G HA2 -0.107 3.852 3.960 -0.002 0.000 0.218 85 G HA3 -0.107 3.852 3.960 -0.002 0.000 0.218 85 G C 1.071 175.884 174.900 -0.145 0.000 1.124 85 G CA 0.703 45.656 45.100 -0.245 0.000 0.776 85 G HN 0.574 nan 8.290 nan 0.000 0.547 86 F N -0.902 119.265 119.950 0.361 0.000 2.682 86 F HA 0.302 4.828 4.527 -0.002 0.000 0.308 86 F C 1.993 177.980 175.800 0.312 0.000 1.093 86 F CA -0.826 57.354 58.000 0.300 0.000 1.244 86 F CB 0.367 39.472 39.000 0.175 0.000 1.052 86 F HN 0.009 nan 8.300 nan 0.000 0.573 87 V N 2.088 122.217 119.914 0.359 0.000 2.913 87 V HA -0.195 3.924 4.120 -0.002 0.000 0.260 87 V C 2.332 178.575 176.094 0.248 0.000 1.098 87 V CA 1.733 64.193 62.300 0.268 0.000 1.121 87 V CB -0.464 31.462 31.823 0.171 0.000 0.714 87 V HN 0.317 nan 8.190 nan 0.000 0.487 88 K N -1.286 119.247 120.400 0.222 0.000 2.314 88 K HA -0.093 4.226 4.320 -0.002 0.000 0.198 88 K C 1.646 178.268 176.600 0.036 0.000 1.045 88 K CA 1.421 57.749 56.287 0.069 0.000 0.988 88 K CB -0.431 32.030 32.500 -0.065 0.000 0.783 88 K HN 0.568 nan 8.250 nan 0.000 0.484 89 H N 0.911 120.117 119.070 0.227 0.000 2.448 89 H HA 0.079 4.634 4.556 -0.002 0.000 0.292 89 H C 2.143 177.640 175.328 0.282 0.000 1.035 89 H CA 0.906 57.102 56.048 0.246 0.000 1.349 89 H CB 0.001 29.946 29.762 0.304 0.000 1.425 89 H HN -0.101 nan 8.280 nan 0.000 0.539 90 V N 0.646 120.801 119.914 0.402 0.000 2.295 90 V HA -0.311 3.808 4.120 -0.002 0.000 0.246 90 V C 2.094 178.378 176.094 0.317 0.000 1.049 90 V CA 1.937 64.426 62.300 0.315 0.000 1.024 90 V CB -0.661 31.304 31.823 0.237 0.000 0.648 90 V HN 0.435 nan 8.190 nan 0.000 0.447 91 Y N 1.249 121.636 120.300 0.144 0.000 2.207 91 Y HA -0.215 4.334 4.550 -0.002 0.000 0.287 91 Y C 2.496 178.450 175.900 0.090 0.000 1.156 91 Y CA 1.766 59.925 58.100 0.098 0.000 1.182 91 Y CB -0.382 38.117 38.460 0.066 0.000 0.979 91 Y HN 0.398 nan 8.280 nan 0.000 0.521 92 E N -1.109 119.300 120.200 0.349 0.000 2.072 92 E HA -0.199 4.149 4.350 -0.002 0.000 0.191 92 E C 2.068 178.728 176.600 0.100 0.000 0.985 92 E CA 1.258 57.767 56.400 0.181 0.000 0.801 92 E CB -0.406 29.325 29.700 0.052 0.000 0.750 92 E HN 0.441 nan 8.360 nan 0.000 0.452 93 F N 0.856 120.856 119.950 0.084 0.000 2.146 93 F HA -0.132 4.394 4.527 -0.002 0.000 0.298 93 F C 2.151 177.971 175.800 0.034 0.000 1.096 93 F CA 0.986 58.997 58.000 0.019 0.000 1.275 93 F CB -0.177 38.791 39.000 -0.053 0.000 1.008 93 F HN -0.034 nan 8.300 nan 0.000 0.480 94 L N -0.439 120.921 121.223 0.228 0.000 2.275 94 L HA -0.173 4.166 4.340 -0.002 0.000 0.215 94 L C 1.486 178.407 176.870 0.085 0.000 1.119 94 L CA 1.069 55.972 54.840 0.105 0.000 0.790 94 L CB -0.578 41.491 42.059 0.017 0.000 0.919 94 L HN -0.018 nan 8.230 nan 0.000 0.443 95 K N 0.825 121.308 120.400 0.139 0.000 2.836 95 K HA 0.243 4.562 4.320 -0.002 0.000 0.236 95 K C 0.134 176.809 176.600 0.125 0.000 1.015 95 K CA 0.144 56.522 56.287 0.151 0.000 1.194 95 K CB 0.055 32.691 32.500 0.226 0.000 1.002 95 K HN 0.228 nan 8.250 nan 0.000 0.479 96 A N 0.750 123.641 122.820 0.117 0.000 2.778 96 A HA 0.142 4.461 4.320 -0.002 0.000 0.249 96 A C -0.740 176.911 177.584 0.112 0.000 1.317 96 A CA -0.719 51.381 52.037 0.105 0.000 1.170 96 A CB 0.224 19.264 19.000 0.067 0.000 1.341 96 A HN 0.065 nan 8.150 nan 0.000 0.785 97 T N -0.243 114.374 114.554 0.104 0.000 3.237 97 T HA 0.170 4.518 4.350 -0.002 0.000 0.319 97 T C 0.502 175.244 174.700 0.070 0.000 1.037 97 T CA -0.044 62.105 62.100 0.083 0.000 1.048 97 T CB 1.185 70.097 68.868 0.072 0.000 1.081 97 T HN 0.704 nan 8.240 nan 0.000 0.455 98 c N 2.481 121.116 118.600 0.059 0.000 2.443 98 c HA 0.078 4.647 4.570 -0.002 0.000 0.290 98 c C 2.265 176.377 174.090 0.036 0.000 1.476 98 c CA 0.996 57.357 56.329 0.053 0.000 1.772 98 c CB -1.591 40.944 42.510 0.041 0.000 1.714 98 c HN 1.154 nan 8.230 nan 0.000 0.562 99 R N -2.601 117.913 120.500 0.024 0.000 2.147 99 R HA -0.206 4.133 4.340 -0.002 0.000 0.158 99 R C 1.411 177.711 176.300 0.001 0.000 0.870 99 R CA 2.087 58.191 56.100 0.006 0.000 1.862 99 R CB -1.113 29.187 30.300 0.001 0.000 0.805 99 R HN 0.494 nan 8.270 nan 0.000 0.659 100 R N -0.813 119.690 120.500 0.006 0.000 2.437 100 R HA 0.304 4.643 4.340 -0.002 0.000 0.257 100 R C 0.530 176.831 176.300 0.003 0.000 0.927 100 R CA 0.577 56.678 56.100 0.001 0.000 1.078 100 R CB 0.864 31.166 30.300 0.003 0.000 1.161 100 R HN 0.393 nan 8.270 nan 0.000 0.529 101 c N -2.796 115.809 118.600 0.009 0.000 3.152 101 c HA 0.864 5.433 4.570 -0.002 0.000 0.080 101 c C 1.148 175.246 174.090 0.013 0.000 2.407 101 c CA 0.033 56.368 56.329 0.010 0.000 1.332 101 c CB 0.496 43.017 42.510 0.018 0.000 2.274 101 c HN 0.425 nan 8.230 nan 0.000 0.474 102 G N -0.046 108.771 108.800 0.028 0.000 2.566 102 G HA2 0.343 4.302 3.960 -0.002 0.000 0.138 102 G HA3 0.343 4.302 3.960 -0.002 0.000 0.138 102 G C -0.988 173.946 174.900 0.055 0.000 1.133 102 G CA -0.219 44.907 45.100 0.043 0.000 1.037 102 G HN 0.764 nan 8.290 nan 0.000 0.491 103 R N -0.350 120.189 120.500 0.064 0.000 4.076 103 R HA -0.096 4.243 4.340 -0.002 0.000 0.094 103 R C -0.025 176.304 176.300 0.049 0.000 0.407 103 R CA 0.877 57.011 56.100 0.056 0.000 0.736 103 R CB -0.565 29.761 30.300 0.043 0.000 1.174 103 R HN 0.967 nan 8.270 nan 0.000 0.196 104 V N 5.565 125.510 119.914 0.053 0.000 3.039 104 V HA 0.210 4.329 4.120 -0.002 0.000 0.369 104 V C 0.281 176.397 176.094 0.037 0.000 1.344 104 V CA 0.235 62.565 62.300 0.050 0.000 1.270 104 V CB -0.211 31.652 31.823 0.068 0.000 1.284 104 V HN 0.641 nan 8.190 nan 0.000 0.518 105 K N -0.077 120.342 120.400 0.032 0.000 2.246 105 K HA 0.659 4.978 4.320 -0.002 0.000 0.239 105 K C -0.861 175.751 176.600 0.020 0.000 1.089 105 K CA -0.754 55.547 56.287 0.025 0.000 0.892 105 K CB 2.061 34.575 32.500 0.023 0.000 1.334 105 K HN 0.222 nan 8.250 nan 0.000 0.507 106 I N -1.557 119.023 120.570 0.018 0.000 3.730 106 I HA 0.313 4.482 4.170 -0.002 0.000 0.273 106 I C 1.525 177.650 176.117 0.013 0.000 1.166 106 I CA -0.568 60.742 61.300 0.015 0.000 1.156 106 I CB 0.248 38.257 38.000 0.015 0.000 1.385 106 I HN 0.649 nan 8.210 nan 0.000 0.486 107 S N 0.041 115.748 115.700 0.012 0.000 2.420 107 S HA -0.412 4.057 4.470 -0.002 0.000 0.278 107 S C 1.620 176.228 174.600 0.012 0.000 1.111 107 S CA 2.279 60.485 58.200 0.011 0.000 1.315 107 S CB -1.154 62.055 63.200 0.016 0.000 1.226 107 S HN 0.759 nan 8.310 nan 0.000 0.444 108 E N 0.820 121.032 120.200 0.021 0.000 2.639 108 E HA -0.434 3.915 4.350 -0.002 0.000 0.252 108 E C 1.449 178.061 176.600 0.020 0.000 1.088 108 E CA 2.111 58.528 56.400 0.027 0.000 1.348 108 E CB -0.790 28.926 29.700 0.026 0.000 1.203 108 E HN 0.521 nan 8.360 nan 0.000 0.460 109 D N -0.138 120.265 120.400 0.006 0.000 2.558 109 D HA -0.257 4.382 4.640 -0.002 0.000 0.190 109 D C 1.708 177.980 176.300 -0.045 0.000 1.047 109 D CA 2.057 56.050 54.000 -0.013 0.000 0.880 109 D CB -0.505 40.286 40.800 -0.016 0.000 0.926 109 D HN 0.465 nan 8.370 nan 0.000 0.465 110 E N -0.526 119.639 120.200 -0.057 0.000 2.051 110 E HA -0.147 4.201 4.350 -0.002 0.000 0.192 110 E C 2.258 178.777 176.600 -0.134 0.000 0.991 110 E CA 0.566 56.880 56.400 -0.143 0.000 0.799 110 E CB -0.038 29.610 29.700 -0.087 0.000 0.748 110 E HN 0.300 nan 8.360 nan 0.000 0.449 111 I N 1.172 121.782 120.570 0.066 0.000 2.335 111 I HA -0.209 3.960 4.170 -0.002 0.000 0.251 111 I C 0.956 177.194 176.117 0.201 0.000 1.129 111 I CA 1.495 62.924 61.300 0.215 0.000 1.402 111 I CB -0.691 37.390 38.000 0.135 0.000 1.069 111 I HN 0.095 nan 8.210 nan 0.000 0.424 112 E N 0.301 120.548 120.200 0.078 0.000 3.105 112 E HA 0.141 4.490 4.350 -0.002 0.000 0.219 112 E C 0.859 177.461 176.600 0.004 0.000 1.064 112 E CA -0.055 56.384 56.400 0.065 0.000 1.342 112 E CB 0.501 30.225 29.700 0.041 0.000 1.295 112 E HN 0.293 nan 8.360 nan 0.000 0.438 113 K N -0.695 119.662 120.400 -0.073 0.000 2.464 113 K HA 0.114 4.433 4.320 -0.002 0.000 0.206 113 K C 0.723 177.253 176.600 -0.117 0.000 1.186 113 K CA 0.046 56.243 56.287 -0.149 0.000 0.990 113 K CB 0.561 32.909 32.500 -0.254 0.000 1.003 113 K HN 0.137 nan 8.250 nan 0.000 0.562 114 Y N 0.908 121.277 120.300 0.114 0.000 2.314 114 Y HA -0.132 4.417 4.550 -0.002 0.000 0.293 114 Y C 2.366 178.368 175.900 0.170 0.000 1.129 114 Y CA 1.203 59.419 58.100 0.194 0.000 1.201 114 Y CB -0.078 38.451 38.460 0.115 0.000 0.999 114 Y HN 0.005 nan 8.280 nan 0.000 0.541 115 S N -0.253 115.591 115.700 0.239 0.000 2.562 115 S HA 0.002 4.471 4.470 -0.002 0.000 0.221 115 S C 1.823 176.477 174.600 0.090 0.000 0.975 115 S CA 0.222 58.512 58.200 0.150 0.000 0.918 115 S CB -0.038 63.230 63.200 0.112 0.000 0.772 115 S HN 0.439 nan 8.310 nan 0.000 0.531 116 R N 0.549 121.084 120.500 0.059 0.000 2.074 116 R HA 0.231 4.570 4.340 -0.002 0.000 0.218 116 R C 1.684 177.958 176.300 -0.043 0.000 1.137 116 R CA 0.610 56.709 56.100 -0.003 0.000 0.998 116 R CB -0.046 30.235 30.300 -0.031 0.000 0.895 116 R HN 0.316 nan 8.270 nan 0.000 0.442 117 I N 0.369 120.878 120.570 -0.102 0.000 2.429 117 I HA -0.105 4.064 4.170 -0.002 0.000 0.247 117 I C 0.713 176.661 176.117 -0.281 0.000 1.099 117 I CA 1.015 62.147 61.300 -0.280 0.000 1.422 117 I CB -0.689 36.982 38.000 -0.549 0.000 1.112 117 I HN 0.126 nan 8.210 nan 0.000 0.430 118 Y N 1.738 122.065 120.300 0.044 0.000 2.960 118 Y HA 0.266 4.815 4.550 -0.002 0.000 0.393 118 Y C 0.754 176.684 175.900 0.049 0.000 1.118 118 Y CA -0.224 57.907 58.100 0.052 0.000 1.850 118 Y CB -0.624 37.880 38.460 0.073 0.000 1.827 118 Y HN 0.141 nan 8.280 nan 0.000 0.463 119 N N 0.899 119.668 118.700 0.115 0.000 2.725 119 N HA 0.333 5.072 4.740 -0.002 0.000 0.248 119 N C -0.143 175.398 175.510 0.053 0.000 1.402 119 N CA 0.193 53.297 53.050 0.090 0.000 0.766 119 N CB 0.903 39.440 38.487 0.084 0.000 1.223 119 N HN 0.369 nan 8.380 nan 0.000 0.515 120 A N 2.549 125.402 122.820 0.055 0.000 2.167 120 A HA 0.212 4.531 4.320 -0.002 0.000 0.208 120 A C 1.796 179.405 177.584 0.043 0.000 1.198 120 A CA 0.029 52.090 52.037 0.039 0.000 0.863 120 A CB 0.130 19.151 19.000 0.036 0.000 0.904 120 A HN 0.434 nan 8.150 nan 0.000 0.484 121 I N 0.259 120.861 120.570 0.053 0.000 2.133 121 I HA -0.050 4.119 4.170 -0.002 0.000 0.238 121 I C 0.509 176.656 176.117 0.050 0.000 1.074 121 I CA 1.213 62.544 61.300 0.051 0.000 1.342 121 I CB -1.087 36.945 38.000 0.053 0.000 1.053 121 I HN 0.108 nan 8.210 nan 0.000 0.404 122 K N 1.002 121.437 120.400 0.058 0.000 2.174 122 K HA 0.210 4.529 4.320 -0.002 0.000 0.275 122 K C 0.676 177.307 176.600 0.051 0.000 1.015 122 K CA 0.114 56.441 56.287 0.067 0.000 0.933 122 K CB 1.168 33.722 32.500 0.091 0.000 1.025 122 K HN 0.030 nan 8.250 nan 0.000 0.463 123 K N 1.374 121.795 120.400 0.035 0.000 2.554 123 K HA 0.111 4.430 4.320 -0.002 0.000 0.211 123 K C 1.147 177.719 176.600 -0.045 0.000 1.226 123 K CA -0.012 56.273 56.287 -0.003 0.000 1.025 123 K CB 0.742 33.230 32.500 -0.019 0.000 1.021 123 K HN 0.393 nan 8.250 nan 0.000 0.600 124 R N 0.274 120.756 120.500 -0.029 0.000 2.048 124 R HA 0.023 4.362 4.340 -0.002 0.000 0.224 124 R C 1.156 177.307 176.300 -0.249 0.000 1.163 124 R CA 1.078 57.068 56.100 -0.183 0.000 0.956 124 R CB 0.177 30.372 30.300 -0.175 0.000 0.849 124 R HN 0.204 nan 8.270 nan 0.000 0.435 125 W N 0.995 122.274 121.300 -0.035 0.000 3.197 125 W HA 0.135 4.794 4.660 -0.002 0.000 0.274 125 W C -1.265 175.230 176.519 -0.040 0.000 1.297 125 W CA -0.155 57.166 57.345 -0.039 0.000 1.662 125 W CB 0.064 29.505 29.460 -0.032 0.000 1.106 125 W HN 0.241 nan 8.180 nan 0.000 0.663 126 P HA -0.117 nan 4.420 nan 0.000 0.221 126 P C 1.790 179.087 177.300 -0.006 0.000 1.150 126 P CA 1.368 64.502 63.100 0.058 0.000 0.800 126 P CB 0.033 31.760 31.700 0.044 0.000 0.787 127 S N -0.021 115.646 115.700 -0.055 0.000 2.399 127 S HA -0.105 4.364 4.470 -0.002 0.000 0.231 127 S C 2.038 176.575 174.600 -0.105 0.000 1.022 127 S CA 1.197 59.333 58.200 -0.107 0.000 0.983 127 S CB -0.847 62.259 63.200 -0.157 0.000 0.803 127 S HN 0.130 nan 8.310 nan 0.000 0.480 128 A N 0.969 123.743 122.820 -0.077 0.000 1.969 128 A HA 0.282 4.601 4.320 -0.002 0.000 0.218 128 A C 2.378 179.944 177.584 -0.030 0.000 1.169 128 A CA 1.574 53.589 52.037 -0.037 0.000 0.635 128 A CB -1.120 17.961 19.000 0.134 0.000 0.810 128 A HN 0.720 nan 8.150 nan 0.000 0.445 129 A N -0.093 122.728 122.820 0.002 0.000 2.015 129 A HA -0.077 4.241 4.320 -0.002 0.000 0.219 129 A C 2.011 179.566 177.584 -0.049 0.000 1.163 129 A CA 1.169 53.198 52.037 -0.013 0.000 0.646 129 A CB -0.320 18.692 19.000 0.019 0.000 0.806 129 A HN 0.531 nan 8.150 nan 0.000 0.448 130 R N -1.069 119.393 120.500 -0.063 0.000 2.335 130 R HA 0.214 4.553 4.340 -0.002 0.000 0.223 130 R C 1.444 177.681 176.300 -0.105 0.000 0.940 130 R CA 0.254 56.307 56.100 -0.078 0.000 1.086 130 R CB 0.096 30.341 30.300 -0.092 0.000 1.073 130 R HN 0.424 nan 8.270 nan 0.000 0.504 131 R N -1.270 119.144 120.500 -0.142 0.000 2.470 131 R HA 0.150 4.489 4.340 -0.002 0.000 0.210 131 R C 0.948 176.992 176.300 -0.427 0.000 0.873 131 R CA -0.132 55.844 56.100 -0.205 0.000 1.015 131 R CB 0.225 30.415 30.300 -0.183 0.000 1.348 131 R HN 0.006 nan 8.270 nan 0.000 0.650 132 L N 0.943 121.935 121.223 -0.385 0.000 2.622 132 L HA -0.005 4.334 4.340 -0.002 0.000 0.233 132 L C 1.671 178.396 176.870 -0.242 0.000 1.156 132 L CA 1.576 56.142 54.840 -0.456 0.000 0.866 132 L CB -0.159 41.764 42.059 -0.226 0.000 0.980 132 L HN 0.121 nan 8.230 nan 0.000 0.448 133 T N -1.692 112.772 114.554 -0.151 0.000 2.939 133 T HA -0.061 4.288 4.350 -0.002 0.000 0.254 133 T C 1.646 176.352 174.700 0.011 0.000 1.041 133 T CA 0.673 62.745 62.100 -0.047 0.000 1.142 133 T CB 0.063 68.912 68.868 -0.031 0.000 0.874 133 T HN 0.318 nan 8.240 nan 0.000 0.452 134 E N 0.246 120.456 120.200 0.017 0.000 2.265 134 E HA -0.117 4.232 4.350 -0.002 0.000 0.196 134 E C 1.651 178.402 176.600 0.250 0.000 0.996 134 E CA 0.710 57.176 56.400 0.110 0.000 0.832 134 E CB -0.105 29.659 29.700 0.107 0.000 0.756 134 E HN 0.485 nan 8.360 nan 0.000 0.491 135 Y N -0.335 119.970 120.300 0.008 0.000 2.181 135 Y HA -0.156 4.393 4.550 -0.002 0.000 0.288 135 Y C 2.296 178.202 175.900 0.010 0.000 1.146 135 Y CA 0.394 58.500 58.100 0.011 0.000 1.164 135 Y CB -0.867 37.599 38.460 0.010 0.000 0.982 135 Y HN -0.034 nan 8.280 nan 0.000 0.515 136 V N -0.116 119.905 119.914 0.179 0.000 2.951 136 V HA -0.119 3.999 4.120 -0.002 0.000 0.255 136 V C 1.884 178.013 176.094 0.059 0.000 1.088 136 V CA 1.116 63.471 62.300 0.092 0.000 1.109 136 V CB -0.241 31.622 31.823 0.067 0.000 0.724 136 V HN 0.302 nan 8.190 nan 0.000 0.471 137 K N -0.042 120.402 120.400 0.073 0.000 2.148 137 K HA -0.107 4.212 4.320 -0.002 0.000 0.204 137 K C 1.883 178.523 176.600 0.067 0.000 1.050 137 K CA 1.264 57.588 56.287 0.062 0.000 0.942 137 K CB -0.072 32.468 32.500 0.066 0.000 0.724 137 K HN 0.414 nan 8.250 nan 0.000 0.446 138 K N -0.195 120.253 120.400 0.080 0.000 2.426 138 K HA -0.010 4.309 4.320 -0.002 0.000 0.193 138 K C 1.014 177.637 176.600 0.040 0.000 1.028 138 K CA 0.635 56.975 56.287 0.089 0.000 1.047 138 K CB 0.531 33.090 32.500 0.097 0.000 0.821 138 K HN -0.115 nan 8.250 nan 0.000 0.513 139 T N 0.509 115.061 114.554 -0.003 0.000 3.393 139 T HA 0.523 4.871 4.350 -0.002 0.000 0.255 139 T C -0.829 173.810 174.700 -0.102 0.000 1.008 139 T CA -0.402 61.670 62.100 -0.047 0.000 1.053 139 T CB 0.015 68.873 68.868 -0.018 0.000 1.120 139 T HN 0.209 nan 8.240 nan 0.000 0.538 140 A N 1.159 123.857 122.820 -0.203 0.000 2.525 140 A HA 0.907 5.226 4.320 -0.002 0.000 0.291 140 A C 0.122 177.403 177.584 -0.505 0.000 1.268 140 A CA -0.613 51.287 52.037 -0.229 0.000 0.712 140 A CB 1.243 20.178 19.000 -0.107 0.000 1.320 140 A HN 0.560 nan 8.150 nan 0.000 0.456 141 M N -2.047 117.385 119.600 -0.279 0.000 2.096 141 M HA 0.318 4.797 4.480 -0.002 0.000 0.422 141 M C 0.265 176.576 176.300 0.019 0.000 0.886 141 M CA 0.466 55.656 55.300 -0.182 0.000 1.103 141 M CB 0.330 32.862 32.600 -0.114 0.000 2.239 141 M HN 0.640 nan 8.290 nan 0.000 0.758 142 K N 0.279 120.676 120.400 -0.005 0.000 2.363 142 K HA 0.654 4.973 4.320 -0.002 0.000 0.215 142 K C 1.265 177.879 176.600 0.024 0.000 1.179 142 K CA 0.713 57.011 56.287 0.019 0.000 0.856 142 K CB 0.408 32.912 32.500 0.008 0.000 1.371 142 K HN 0.276 nan 8.250 nan 0.000 0.455 143 A N 1.312 124.140 122.820 0.014 0.000 5.059 143 A HA -0.443 3.876 4.320 -0.002 0.000 0.321 143 A C 1.562 179.157 177.584 0.019 0.000 1.900 143 A CA 2.348 54.397 52.037 0.019 0.000 0.710 143 A CB -1.551 17.468 19.000 0.031 0.000 1.348 143 A HN 0.453 nan 8.150 nan 0.000 0.374 144 Q N -2.279 117.534 119.800 0.022 0.000 2.514 144 Q HA 0.496 4.835 4.340 -0.002 0.000 0.208 144 Q C 0.332 176.343 176.000 0.018 0.000 0.938 144 Q CA 1.203 57.017 55.803 0.018 0.000 0.892 144 Q CB 0.946 29.694 28.738 0.017 0.000 1.050 144 Q HN 1.527 nan 8.270 nan 0.000 0.595 145 V N 0.990 120.917 119.914 0.021 0.000 2.722 145 V HA 0.418 4.537 4.120 -0.002 0.000 0.260 145 V C -1.928 174.181 176.094 0.026 0.000 0.941 145 V CA -0.485 61.827 62.300 0.020 0.000 0.888 145 V CB 0.946 32.778 31.823 0.015 0.000 1.059 145 V HN 0.378 nan 8.190 nan 0.000 0.486 146 c N 6.823 125.444 118.600 0.034 0.000 2.782 146 c HA 0.596 5.165 4.570 -0.002 0.000 0.328 146 c C -2.634 171.491 174.090 0.058 0.000 1.145 146 c CA -0.670 55.686 56.329 0.046 0.000 1.358 146 c CB 2.955 45.501 42.510 0.060 0.000 1.841 146 c HN 0.713 nan 8.230 nan 0.000 0.477 147 P HA 0.165 nan 4.420 nan 0.000 0.206 147 P C -0.221 177.125 177.300 0.078 0.000 1.854 147 P CA -0.038 63.097 63.100 0.057 0.000 0.969 147 P CB -0.649 31.068 31.700 0.028 0.000 1.843 148 H N 1.032 120.107 119.070 0.008 0.000 3.198 148 H HA -0.163 4.392 4.556 -0.002 0.000 0.296 148 H C 0.863 176.195 175.328 0.005 0.000 0.935 148 H CA 0.515 56.569 56.048 0.008 0.000 1.365 148 H CB 0.397 30.166 29.762 0.012 0.000 1.267 148 H HN 0.455 nan 8.280 nan 0.000 0.572 149 C N 3.013 121.945 119.300 -0.613 0.000 2.680 149 C HA 0.961 5.420 4.460 -0.002 0.000 0.083 149 C C 1.421 176.010 174.990 -0.669 0.000 2.335 149 C CA 0.241 58.984 59.018 -0.459 0.000 1.532 149 C CB -0.204 27.394 27.740 -0.236 0.000 2.431 149 C HN 1.373 nan 8.230 nan 0.000 0.331 150 G N -0.317 108.250 108.800 -0.388 0.000 2.353 150 G HA2 0.276 4.235 3.960 -0.002 0.000 0.615 150 G HA3 0.276 4.235 3.960 -0.002 0.000 0.615 150 G C -1.174 173.657 174.900 -0.114 0.000 1.280 150 G CA -0.380 44.582 45.100 -0.230 0.000 1.000 150 G HN 0.829 nan 8.290 nan 0.000 0.516 176 T N 2.256 116.942 114.554 0.220 0.000 2.749 176 T HA 0.316 4.665 4.350 -0.002 0.000 0.287 176 T C -1.863 172.979 174.700 0.237 0.000 0.970 176 T CA -1.064 61.224 62.100 0.314 0.000 0.980 176 T CB 2.081 70.944 68.868 -0.007 0.000 0.924 176 T HN -0.167 nan 8.240 nan 0.000 0.456 177 P HA -0.180 nan 4.420 nan 0.000 0.216 177 P C 1.767 179.156 177.300 0.148 0.000 1.154 177 P CA 1.088 64.331 63.100 0.238 0.000 0.865 177 P CB 0.058 31.953 31.700 0.325 0.000 0.789 178 S N -1.551 114.223 115.700 0.123 0.000 2.419 178 S HA -0.152 4.317 4.470 -0.002 0.000 0.233 178 S C 1.641 176.246 174.600 0.008 0.000 1.016 178 S CA 1.317 59.539 58.200 0.038 0.000 0.974 178 S CB -1.038 62.144 63.200 -0.030 0.000 0.786 178 S HN 0.155 nan 8.310 nan 0.000 0.492 179 D N 1.264 121.669 120.400 0.008 0.000 2.271 179 D HA 0.196 4.835 4.640 -0.002 0.000 0.206 179 D C 1.855 178.158 176.300 0.005 0.000 0.967 179 D CA 0.669 54.666 54.000 -0.005 0.000 0.867 179 D CB -0.033 40.759 40.800 -0.013 0.000 0.960 179 D HN 0.462 nan 8.370 nan 0.000 0.509 180 I N 0.757 121.344 120.570 0.028 0.000 2.353 180 I HA -0.139 4.030 4.170 -0.002 0.000 0.248 180 I C 2.591 178.698 176.117 -0.018 0.000 1.119 180 I CA 0.576 61.885 61.300 0.015 0.000 1.417 180 I CB -0.093 37.933 38.000 0.044 0.000 1.078 180 I HN -0.169 nan 8.210 nan 0.000 0.421 181 R N 1.324 121.819 120.500 -0.008 0.000 2.148 181 R HA -0.126 4.213 4.340 -0.002 0.000 0.223 181 R C 1.984 178.252 176.300 -0.053 0.000 1.088 181 R CA 1.141 57.218 56.100 -0.038 0.000 0.985 181 R CB 0.014 30.311 30.300 -0.005 0.000 0.880 181 R HN 0.365 nan 8.270 nan 0.000 0.451 182 E N -0.299 119.881 120.200 -0.034 0.000 2.204 182 E HA -0.153 4.196 4.350 -0.002 0.000 0.194 182 E C 1.926 178.498 176.600 -0.047 0.000 0.989 182 E CA 0.794 57.171 56.400 -0.037 0.000 0.824 182 E CB 0.151 29.835 29.700 -0.026 0.000 0.756 182 E HN 0.314 nan 8.360 nan 0.000 0.477 183 R N 0.016 120.487 120.500 -0.048 0.000 2.153 183 R HA 0.050 4.389 4.340 -0.002 0.000 0.218 183 R C 1.980 178.230 176.300 -0.084 0.000 1.072 183 R CA 0.545 56.615 56.100 -0.048 0.000 0.990 183 R CB 0.143 30.424 30.300 -0.031 0.000 0.889 183 R HN 0.130 nan 8.270 nan 0.000 0.452 184 L N -0.106 121.037 121.223 -0.132 0.000 2.567 184 L HA 0.078 4.417 4.340 -0.002 0.000 0.225 184 L C 1.486 178.212 176.870 -0.240 0.000 1.119 184 L CA 0.428 55.124 54.840 -0.241 0.000 0.871 184 L CB 0.160 42.027 42.059 -0.321 0.000 1.036 184 L HN 0.142 nan 8.230 nan 0.000 0.459 185 E N 0.896 121.001 120.200 -0.158 0.000 2.403 185 E HA 0.027 4.376 4.350 -0.002 0.000 0.188 185 E C 0.080 176.618 176.600 -0.105 0.000 1.056 185 E CA 0.031 56.348 56.400 -0.139 0.000 0.892 185 E CB 0.400 30.046 29.700 -0.091 0.000 1.049 185 E HN 0.238 nan 8.360 nan 0.000 0.465 186 K N 0.848 121.189 120.400 -0.098 0.000 3.022 186 K HA 0.191 4.510 4.320 -0.002 0.000 0.178 186 K C -1.193 175.374 176.600 -0.055 0.000 1.089 186 K CA -0.248 56.001 56.287 -0.063 0.000 0.916 186 K CB 1.454 33.930 32.500 -0.041 0.000 1.159 186 K HN -0.058 nan 8.250 nan 0.000 0.592 187 V N -1.163 118.707 119.914 -0.073 0.000 2.577 187 V HA 0.460 4.579 4.120 -0.002 0.000 0.294 187 V C -2.609 173.455 176.094 -0.051 0.000 1.052 187 V CA -1.961 60.313 62.300 -0.044 0.000 0.891 187 V CB 1.280 33.088 31.823 -0.024 0.000 1.017 187 V HN 0.160 nan 8.190 nan 0.000 0.436 188 P HA 0.341 nan 4.420 nan 0.000 0.293 188 P C 0.786 178.072 177.300 -0.023 0.000 1.298 188 P CA -0.027 63.055 63.100 -0.029 0.000 0.757 188 P CB 1.190 32.879 31.700 -0.018 0.000 1.262 189 E N -0.253 119.934 120.200 -0.022 0.000 2.118 189 E HA -0.158 4.191 4.350 -0.002 0.000 0.195 189 E C 2.037 178.635 176.600 -0.004 0.000 0.992 189 E CA 1.835 58.226 56.400 -0.016 0.000 0.804 189 E CB -0.347 29.342 29.700 -0.019 0.000 0.741 189 E HN 0.492 nan 8.360 nan 0.000 0.458 190 S N 1.078 116.773 115.700 -0.007 0.000 2.383 190 S HA -0.191 4.278 4.470 -0.002 0.000 0.227 190 S C 1.587 176.196 174.600 0.015 0.000 1.026 190 S CA 1.373 59.569 58.200 -0.006 0.000 0.981 190 S CB -0.155 63.037 63.200 -0.014 0.000 0.818 190 S HN 0.078 nan 8.310 nan 0.000 0.472 191 D N 1.620 122.036 120.400 0.027 0.000 2.084 191 D HA -0.079 4.560 4.640 -0.002 0.000 0.194 191 D C 2.234 178.591 176.300 0.095 0.000 0.990 191 D CA 1.770 55.803 54.000 0.055 0.000 0.826 191 D CB -0.370 40.466 40.800 0.060 0.000 0.971 191 D HN 0.470 nan 8.370 nan 0.000 0.453 192 V N -1.235 118.750 119.914 0.118 0.000 2.488 192 V HA -0.063 4.056 4.120 -0.002 0.000 0.246 192 V C 1.916 178.115 176.094 0.175 0.000 1.046 192 V CA 1.230 63.651 62.300 0.202 0.000 1.053 192 V CB -0.742 31.196 31.823 0.193 0.000 0.679 192 V HN 0.068 nan 8.190 nan 0.000 0.458 193 E N 0.537 120.791 120.200 0.090 0.000 2.110 193 E HA -0.098 4.251 4.350 -0.002 0.000 0.193 193 E C 2.189 178.805 176.600 0.026 0.000 0.988 193 E CA 1.693 58.123 56.400 0.049 0.000 0.804 193 E CB -0.241 29.465 29.700 0.010 0.000 0.745 193 E HN 0.632 nan 8.360 nan 0.000 0.458 194 I N 0.968 121.553 120.570 0.026 0.000 2.394 194 I HA -0.262 3.907 4.170 -0.002 0.000 0.251 194 I C 2.213 178.334 176.117 0.007 0.000 1.136 194 I CA 0.806 62.110 61.300 0.007 0.000 1.425 194 I CB -0.049 37.955 38.000 0.007 0.000 1.079 194 I HN 0.119 nan 8.210 nan 0.000 0.425 195 L N 0.227 121.476 121.223 0.044 0.000 2.093 195 L HA -0.046 4.293 4.340 -0.002 0.000 0.208 195 L C 1.305 178.163 176.870 -0.019 0.000 1.085 195 L CA 1.179 56.050 54.840 0.051 0.000 0.755 195 L CB -0.559 41.556 42.059 0.093 0.000 0.904 195 L HN 0.502 nan 8.230 nan 0.000 0.435 196 G N -1.432 107.342 108.800 -0.044 0.000 2.462 196 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.124 196 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.124 196 G C -0.792 173.790 174.900 -0.530 0.000 1.062 196 G CA -0.839 44.100 45.100 -0.269 0.000 0.764 196 G HN 0.121 nan 8.290 nan 0.000 0.485 197 Y N -0.207 120.100 120.300 0.013 0.000 2.504 197 Y HA 0.519 5.068 4.550 -0.002 0.000 0.344 197 Y C -0.023 175.895 175.900 0.029 0.000 1.023 197 Y CA -1.181 56.946 58.100 0.044 0.000 1.020 197 Y CB 1.661 40.187 38.460 0.109 0.000 1.282 197 Y HN 0.146 nan 8.280 nan 0.000 0.454 198 D N 4.148 124.650 120.400 0.169 0.000 2.389 198 D HA 0.107 4.746 4.640 -0.002 0.000 0.247 198 D C -1.820 174.526 176.300 0.075 0.000 1.128 198 D CA -1.333 52.725 54.000 0.097 0.000 0.884 198 D CB 1.804 42.655 40.800 0.086 0.000 1.194 198 D HN 0.282 nan 8.370 nan 0.000 0.441 199 P HA 0.063 nan 4.420 nan 0.000 0.251 199 P C 0.731 178.003 177.300 -0.046 0.000 1.223 199 P CA 0.296 63.377 63.100 -0.032 0.000 0.796 199 P CB 0.692 32.381 31.700 -0.019 0.000 1.068 200 T N -1.566 113.003 114.554 0.025 0.000 3.111 200 T HA 0.013 4.362 4.350 -0.002 0.000 0.236 200 T C 1.713 176.520 174.700 0.179 0.000 0.984 200 T CA 1.268 63.418 62.100 0.083 0.000 1.195 200 T CB -0.967 67.941 68.868 0.066 0.000 0.929 200 T HN 0.024 nan 8.240 nan 0.000 0.431 201 T N 2.671 117.314 114.554 0.148 0.000 2.942 201 T HA 0.105 4.454 4.350 -0.002 0.000 0.265 201 T C 1.041 175.903 174.700 0.270 0.000 1.062 201 T CA 0.698 62.907 62.100 0.182 0.000 1.139 201 T CB -0.117 68.825 68.868 0.124 0.000 0.883 201 T HN 0.521 nan 8.240 nan 0.000 0.468 202 S N 0.380 116.195 115.700 0.193 0.000 2.569 202 S HA 0.789 5.258 4.470 -0.002 0.000 0.280 202 S C -1.111 173.369 174.600 -0.199 0.000 1.111 202 S CA -1.173 57.109 58.200 0.137 0.000 0.887 202 S CB 2.813 66.057 63.200 0.073 0.000 1.095 202 S HN 0.201 nan 8.310 nan 0.000 0.476 203 R N 0.660 120.868 120.500 -0.487 0.000 2.668 203 R HA 0.436 4.775 4.340 -0.002 0.000 0.272 203 R C -2.320 173.528 176.300 -0.754 0.000 1.019 203 R CA -2.187 53.395 56.100 -0.863 0.000 0.894 203 R CB 2.160 31.424 30.300 -1.727 0.000 1.228 203 R HN 0.430 nan 8.270 nan 0.000 0.460 204 P HA -0.165 nan 4.420 nan 0.000 0.218 204 P C 0.244 177.215 177.300 -0.550 0.000 1.148 204 P CA 1.487 64.103 63.100 -0.807 0.000 0.822 204 P CB 0.459 31.468 31.700 -1.152 0.000 0.784 205 E N -1.034 118.837 120.200 -0.549 0.000 2.150 205 E HA -0.137 4.212 4.350 -0.002 0.000 0.193 205 E C 1.712 178.257 176.600 -0.092 0.000 0.985 205 E CA 0.996 57.210 56.400 -0.310 0.000 0.814 205 E CB -0.664 28.864 29.700 -0.286 0.000 0.752 205 E HN 0.376 nan 8.360 nan 0.000 0.466 206 W N -0.187 120.974 121.300 -0.232 0.000 2.905 206 W HA 0.221 4.880 4.660 -0.002 0.000 0.251 206 W C 1.573 177.910 176.519 -0.303 0.000 1.305 206 W CA 0.076 57.287 57.345 -0.223 0.000 1.465 206 W CB -0.663 28.664 29.460 -0.222 0.000 1.122 206 W HN 0.164 nan 8.180 nan 0.000 0.659 207 M N -0.229 119.225 119.600 -0.242 0.000 2.132 207 M HA -0.070 4.409 4.480 -0.002 0.000 0.263 207 M C 0.748 177.056 176.300 0.014 0.000 1.065 207 M CA 1.365 56.447 55.300 -0.363 0.000 1.122 207 M CB -0.421 31.919 32.600 -0.433 0.000 1.365 207 M HN -0.358 nan 8.290 nan 0.000 0.411 208 I N 1.637 122.222 120.570 0.026 0.000 2.396 208 I HA 0.079 4.248 4.170 -0.002 0.000 0.289 208 I C -0.432 175.762 176.117 0.128 0.000 1.056 208 I CA -0.285 61.081 61.300 0.110 0.000 1.365 208 I CB 0.526 38.574 38.000 0.080 0.000 1.407 208 I HN 0.121 nan 8.210 nan 0.000 0.509 209 L N 6.506 127.835 121.223 0.176 0.000 2.350 209 L HA 0.311 4.650 4.340 -0.002 0.000 0.275 209 L C 0.891 177.844 176.870 0.138 0.000 1.099 209 L CA -0.028 54.912 54.840 0.167 0.000 0.808 209 L CB 1.112 43.315 42.059 0.240 0.000 1.149 209 L HN 0.664 nan 8.230 nan 0.000 0.442 210 T N 0.362 114.977 114.554 0.102 0.000 2.987 210 T HA 0.169 4.518 4.350 -0.002 0.000 0.248 210 T C 0.204 174.942 174.700 0.063 0.000 0.997 210 T CA 0.101 62.249 62.100 0.080 0.000 1.013 210 T CB 0.685 69.588 68.868 0.058 0.000 1.077 210 T HN 0.240 nan 8.240 nan 0.000 0.483 211 V N 2.501 122.442 119.914 0.045 0.000 2.483 211 V HA 0.553 4.672 4.120 -0.002 0.000 0.297 211 V C -1.039 175.107 176.094 0.087 0.000 1.027 211 V CA -1.015 61.307 62.300 0.036 0.000 0.855 211 V CB 2.174 33.966 31.823 -0.051 0.000 0.995 211 V HN 0.325 nan 8.190 nan 0.000 0.424 212 L N 8.183 129.491 121.223 0.142 0.000 2.280 212 L HA 0.673 5.012 4.340 -0.002 0.000 0.287 212 L C -2.386 174.639 176.870 0.258 0.000 1.023 212 L CA -1.673 53.300 54.840 0.222 0.000 0.819 212 L CB 2.298 44.485 42.059 0.214 0.000 1.212 212 L HN 0.426 nan 8.230 nan 0.000 0.420 213 P HA 0.121 nan 4.420 nan 0.000 0.287 213 P C -0.609 176.942 177.300 0.418 0.000 1.294 213 P CA -0.197 63.204 63.100 0.502 0.000 0.776 213 P CB 1.349 33.331 31.700 0.470 0.000 0.889 214 V N 7.092 127.160 119.914 0.256 0.000 2.485 214 V HA 0.083 4.202 4.120 -0.002 0.000 0.287 214 V C -1.519 174.643 176.094 0.113 0.000 1.022 214 V CA -1.093 61.288 62.300 0.134 0.000 1.067 214 V CB -0.064 31.766 31.823 0.012 0.000 0.967 214 V HN 0.568 nan 8.190 nan 0.000 0.479 215 P HA 0.195 nan 4.420 nan 0.000 0.269 215 P C -2.658 174.488 177.300 -0.256 0.000 1.209 215 P CA -1.551 61.484 63.100 -0.109 0.000 0.776 215 P CB -0.053 31.682 31.700 0.058 0.000 0.876 216 P HA 0.080 nan 4.420 nan 0.000 0.266 216 P C 1.309 178.517 177.300 -0.153 0.000 1.193 216 P CA 0.176 63.089 63.100 -0.312 0.000 0.770 216 P CB 0.254 31.724 31.700 -0.383 0.000 0.836 217 I N 1.736 122.254 120.570 -0.088 0.000 2.530 217 I HA -0.240 3.928 4.170 -0.002 0.000 0.257 217 I C 1.134 177.224 176.117 -0.045 0.000 1.179 217 I CA 1.582 62.853 61.300 -0.050 0.000 1.440 217 I CB -0.059 37.922 38.000 -0.031 0.000 1.087 217 I HN 0.330 nan 8.210 nan 0.000 0.440 218 T N 0.862 115.381 114.554 -0.059 0.000 2.995 218 T HA -0.013 4.335 4.350 -0.002 0.000 0.269 218 T C 1.672 176.342 174.700 -0.049 0.000 1.091 218 T CA 1.063 63.133 62.100 -0.050 0.000 1.128 218 T CB -0.114 68.719 68.868 -0.058 0.000 0.891 218 T HN 0.380 nan 8.240 nan 0.000 0.492 219 I N 0.367 120.901 120.570 -0.060 0.000 3.427 219 I HA 0.116 4.285 4.170 -0.002 0.000 0.288 219 I C 0.033 176.139 176.117 -0.017 0.000 1.249 219 I CA 0.262 61.538 61.300 -0.040 0.000 1.421 219 I CB 0.178 38.151 38.000 -0.045 0.000 1.086 219 I HN 0.069 nan 8.210 nan 0.000 0.448 220 R N 1.097 121.589 120.500 -0.014 0.000 2.607 220 R HA 0.371 4.709 4.340 -0.002 0.000 0.278 220 R C -2.800 173.498 176.300 -0.003 0.000 1.637 220 R CA -1.463 54.638 56.100 0.002 0.000 1.325 220 R CB -0.119 30.196 30.300 0.024 0.000 1.211 220 R HN -0.084 nan 8.270 nan 0.000 0.565 221 P HA 0.345 nan 4.420 nan 0.000 0.284 221 P C -0.494 176.800 177.300 -0.009 0.000 1.292 221 P CA -0.562 62.532 63.100 -0.011 0.000 0.800 221 P CB 1.069 32.761 31.700 -0.014 0.000 1.188 222 S N -0.483 115.209 115.700 -0.012 0.000 2.654 222 S HA 0.759 5.228 4.470 -0.002 0.000 0.283 222 S C 0.184 174.774 174.600 -0.016 0.000 1.180 222 S CA -0.553 57.638 58.200 -0.015 0.000 1.021 222 S CB 0.255 63.445 63.200 -0.016 0.000 1.018 222 S HN 0.594 nan 8.310 nan 0.000 0.532 223 I N 0.730 121.288 120.570 -0.019 0.000 2.951 223 I HA 0.539 4.708 4.170 -0.002 0.000 0.304 223 I C -2.253 173.851 176.117 -0.021 0.000 1.550 223 I CA -0.819 60.470 61.300 -0.018 0.000 0.947 223 I CB 1.795 39.785 38.000 -0.016 0.000 1.351 223 I HN 0.734 nan 8.210 nan 0.000 0.548 234 D N -0.301 120.124 120.400 0.042 0.000 2.403 234 D HA 0.114 4.753 4.640 -0.002 0.000 0.280 234 D C 1.213 177.560 176.300 0.078 0.000 1.091 234 D CA 0.004 54.041 54.000 0.063 0.000 0.884 234 D CB 0.899 41.724 40.800 0.043 0.000 1.427 234 D HN 0.283 nan 8.370 nan 0.000 0.504 235 L N 0.661 121.926 121.223 0.071 0.000 2.298 235 L HA 0.051 4.390 4.340 -0.002 0.000 0.209 235 L C 2.046 178.975 176.870 0.097 0.000 1.084 235 L CA 0.916 55.814 54.840 0.098 0.000 0.816 235 L CB 0.052 42.168 42.059 0.095 0.000 0.967 235 L HN -0.095 nan 8.230 nan 0.000 0.460 236 T N -1.956 112.641 114.554 0.070 0.000 2.812 236 T HA -0.216 4.132 4.350 -0.002 0.000 0.264 236 T C 1.683 176.410 174.700 0.045 0.000 1.042 236 T CA 1.479 63.606 62.100 0.046 0.000 1.140 236 T CB -0.330 68.560 68.868 0.037 0.000 0.870 236 T HN 0.405 nan 8.240 nan 0.000 0.445 237 H N 1.876 120.917 119.070 -0.048 0.000 2.321 237 H HA -0.002 4.553 4.556 -0.002 0.000 0.300 237 H C 2.174 177.406 175.328 -0.160 0.000 1.087 237 H CA 1.870 57.868 56.048 -0.083 0.000 1.319 237 H CB -0.104 29.624 29.762 -0.058 0.000 1.379 237 H HN 0.393 nan 8.280 nan 0.000 0.501 238 K N -0.152 120.164 120.400 -0.140 0.000 2.366 238 K HA -0.009 4.310 4.320 -0.002 0.000 0.198 238 K C 2.054 178.533 176.600 -0.202 0.000 1.044 238 K CA 0.784 56.921 56.287 -0.251 0.000 0.973 238 K CB -0.171 32.289 32.500 -0.067 0.000 0.767 238 K HN 0.375 nan 8.250 nan 0.000 0.475 239 L N 0.582 121.726 121.223 -0.132 0.000 2.217 239 L HA -0.063 4.276 4.340 -0.002 0.000 0.211 239 L C 1.796 178.529 176.870 -0.228 0.000 1.107 239 L CA 0.511 55.240 54.840 -0.184 0.000 0.783 239 L CB 0.081 42.076 42.059 -0.107 0.000 0.919 239 L HN 0.044 nan 8.230 nan 0.000 0.442 240 V N -0.405 119.376 119.914 -0.222 0.000 2.515 240 V HA -0.256 3.863 4.120 -0.002 0.000 0.250 240 V C 1.676 177.593 176.094 -0.294 0.000 1.058 240 V CA 1.663 63.831 62.300 -0.221 0.000 1.064 240 V CB -0.631 31.073 31.823 -0.199 0.000 0.675 240 V HN 0.458 nan 8.190 nan 0.000 0.461 241 D N -0.195 119.946 120.400 -0.431 0.000 2.403 241 D HA -0.047 4.592 4.640 -0.002 0.000 0.227 241 D C 1.714 177.622 176.300 -0.653 0.000 0.995 241 D CA 1.007 54.634 54.000 -0.623 0.000 0.928 241 D CB 0.122 40.404 40.800 -0.862 0.000 0.887 241 D HN 0.465 nan 8.370 nan 0.000 0.529 242 I N -0.628 119.718 120.570 -0.373 0.000 3.039 242 I HA -0.108 4.061 4.170 -0.002 0.000 0.270 242 I C 2.153 178.183 176.117 -0.146 0.000 1.150 242 I CA 0.211 61.372 61.300 -0.231 0.000 1.448 242 I CB 0.204 38.051 38.000 -0.255 0.000 1.197 242 I HN -0.184 nan 8.210 nan 0.000 0.450 243 V N 1.310 121.135 119.914 -0.148 0.000 2.626 243 V HA -0.194 3.925 4.120 -0.002 0.000 0.252 243 V C 2.559 178.611 176.094 -0.069 0.000 1.067 243 V CA 1.562 63.807 62.300 -0.091 0.000 1.081 243 V CB -0.932 30.839 31.823 -0.086 0.000 0.686 243 V HN 0.405 nan 8.190 nan 0.000 0.468 244 R N 0.422 120.865 120.500 -0.095 0.000 2.073 244 R HA -0.136 4.203 4.340 -0.002 0.000 0.234 244 R C 2.188 178.473 176.300 -0.025 0.000 1.134 244 R CA 1.801 57.863 56.100 -0.063 0.000 0.952 244 R CB -0.118 30.130 30.300 -0.087 0.000 0.850 244 R HN 0.380 nan 8.270 nan 0.000 0.433 245 I N 1.404 121.964 120.570 -0.016 0.000 2.617 245 I HA -0.172 3.997 4.170 -0.002 0.000 0.256 245 I C 1.844 177.985 176.117 0.040 0.000 1.167 245 I CA 0.808 62.130 61.300 0.037 0.000 1.469 245 I CB -1.437 36.619 38.000 0.094 0.000 1.098 245 I HN 0.328 nan 8.210 nan 0.000 0.436 246 N N 1.226 119.938 118.700 0.020 0.000 2.485 246 N HA -0.144 4.595 4.740 -0.002 0.000 0.199 246 N C 1.310 176.832 175.510 0.021 0.000 1.236 246 N CA 0.429 53.495 53.050 0.028 0.000 0.852 246 N CB 0.483 38.979 38.487 0.015 0.000 1.018 246 N HN 0.364 nan 8.380 nan 0.000 0.457 247 E N 0.070 120.280 120.200 0.016 0.000 2.399 247 E HA 0.182 4.531 4.350 -0.002 0.000 0.206 247 E C 1.663 178.274 176.600 0.020 0.000 0.812 247 E CA 0.164 56.572 56.400 0.013 0.000 1.138 247 E CB 0.201 29.902 29.700 0.001 0.000 1.140 247 E HN 0.127 nan 8.360 nan 0.000 0.536 248 R N 0.304 120.818 120.500 0.024 0.000 2.115 248 R HA 0.039 4.378 4.340 -0.002 0.000 0.230 248 R C 2.163 178.486 176.300 0.039 0.000 1.111 248 R CA 1.049 57.166 56.100 0.029 0.000 0.976 248 R CB -0.161 30.157 30.300 0.031 0.000 0.870 248 R HN 0.233 nan 8.270 nan 0.000 0.445 249 L N 0.672 121.926 121.223 0.051 0.000 2.156 249 L HA -0.129 4.210 4.340 -0.002 0.000 0.208 249 L C 2.134 179.030 176.870 0.044 0.000 1.095 249 L CA 1.252 56.128 54.840 0.061 0.000 0.770 249 L CB -0.154 41.960 42.059 0.090 0.000 0.914 249 L HN 0.135 nan 8.230 nan 0.000 0.439 250 K N -0.141 120.281 120.400 0.036 0.000 2.097 250 K HA -0.227 4.092 4.320 -0.002 0.000 0.205 250 K C 1.870 178.482 176.600 0.020 0.000 1.050 250 K CA 1.341 57.643 56.287 0.026 0.000 0.938 250 K CB 0.004 32.517 32.500 0.022 0.000 0.718 250 K HN 0.281 nan 8.250 nan 0.000 0.442 251 E N 1.015 121.227 120.200 0.020 0.000 2.371 251 E HA -0.064 4.285 4.350 -0.002 0.000 0.194 251 E C 0.526 177.135 176.600 0.015 0.000 1.012 251 E CA 0.523 56.932 56.400 0.015 0.000 0.860 251 E CB 0.331 30.039 29.700 0.014 0.000 0.811 251 E HN 0.142 nan 8.360 nan 0.000 0.502 252 S N -0.301 115.412 115.700 0.020 0.000 2.519 252 S HA 0.249 4.718 4.470 -0.002 0.000 0.245 252 S C 0.937 175.546 174.600 0.015 0.000 1.152 252 S CA -0.509 57.702 58.200 0.019 0.000 1.175 252 S CB -0.215 63.001 63.200 0.027 0.000 0.829 252 S HN 0.251 nan 8.310 nan 0.000 0.472 253 I N 0.109 120.686 120.570 0.011 0.000 2.899 253 I HA 0.216 4.385 4.170 -0.002 0.000 0.257 253 I C 0.948 177.067 176.117 0.002 0.000 1.115 253 I CA 0.322 61.626 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 0.244 nan 8.210 nan 0.000 0.456 254 D N 0.783 121.185 120.400 0.003 0.000 2.433 254 D HA 0.210 4.849 4.640 -0.002 0.000 0.211 254 D C 0.818 177.119 176.300 0.002 0.000 1.114 254 D CA 0.121 54.122 54.000 0.001 0.000 0.837 254 D CB 0.610 41.410 40.800 0.001 0.000 0.984 254 D HN 0.121 nan 8.370 nan 0.000 0.505 255 A N 0.981 123.803 122.820 0.004 0.000 3.197 255 A HA 0.545 4.864 4.320 -0.002 0.000 0.263 255 A C 1.054 178.641 177.584 0.004 0.000 1.524 255 A CA 0.069 52.109 52.037 0.005 0.000 1.176 255 A CB -1.044 17.960 19.000 0.006 0.000 1.096 255 A HN 0.145 nan 8.150 nan 0.000 0.655 256 G N -0.064 108.738 108.800 0.003 0.000 2.330 256 G HA2 0.192 4.151 3.960 -0.002 0.000 0.239 256 G HA3 0.192 4.151 3.960 -0.002 0.000 0.239 256 G C 0.130 175.032 174.900 0.004 0.000 0.818 256 G CA 0.224 45.325 45.100 0.002 0.000 1.189 256 G HN 1.916 nan 8.290 nan 0.000 0.337 257 A N 4.171 126.993 122.820 0.003 0.000 2.328 257 A HA 0.818 5.137 4.320 -0.002 0.000 0.318 257 A C -0.845 176.740 177.584 0.001 0.000 1.347 257 A CA -1.074 50.966 52.037 0.005 0.000 0.842 257 A CB 1.060 20.063 19.000 0.006 0.000 1.148 257 A HN 0.525 nan 8.150 nan 0.000 0.499 258 P HA 0.167 nan 4.420 nan 0.000 0.296 258 P C 0.963 178.265 177.300 0.003 0.000 1.295 258 P CA -0.429 62.673 63.100 0.003 0.000 0.754 258 P CB 0.526 32.230 31.700 0.006 0.000 1.311 259 Q N -0.757 119.045 119.800 0.004 0.000 2.096 259 Q HA 0.005 4.344 4.340 -0.002 0.000 0.197 259 Q C 1.982 177.996 176.000 0.022 0.000 0.964 259 Q CA 1.382 57.187 55.803 0.004 0.000 0.838 259 Q CB -0.659 28.080 28.738 0.002 0.000 0.906 259 Q HN 0.356 nan 8.270 nan 0.000 0.444 260 L N 0.165 121.405 121.223 0.028 0.000 2.275 260 L HA -0.129 4.210 4.340 -0.002 0.000 0.215 260 L C 2.243 179.147 176.870 0.056 0.000 1.119 260 L CA 0.553 55.419 54.840 0.043 0.000 0.790 260 L CB -0.216 41.863 42.059 0.033 0.000 0.919 260 L HN 0.176 nan 8.230 nan 0.000 0.443 261 I N -0.533 120.064 120.570 0.045 0.000 2.233 261 I HA -0.289 3.880 4.170 -0.002 0.000 0.243 261 I C 2.384 178.546 176.117 0.075 0.000 1.093 261 I CA 1.245 62.576 61.300 0.052 0.000 1.380 261 I CB -0.063 37.959 38.000 0.035 0.000 1.067 261 I HN 0.189 nan 8.210 nan 0.000 0.413 262 I N 0.688 121.290 120.570 0.054 0.000 2.493 262 I HA -0.264 3.905 4.170 -0.002 0.000 0.254 262 I C 2.099 178.299 176.117 0.138 0.000 1.160 262 I CA 1.659 62.988 61.300 0.049 0.000 1.445 262 I CB 0.039 38.017 38.000 -0.037 0.000 1.086 262 I HN 0.316 nan 8.210 nan 0.000 0.433 263 E N 0.043 120.350 120.200 0.178 0.000 2.166 263 E HA -0.139 4.210 4.350 -0.002 0.000 0.192 263 E C 1.280 178.094 176.600 0.357 0.000 0.967 263 E CA 0.700 57.330 56.400 0.383 0.000 0.840 263 E CB 0.185 30.045 29.700 0.267 0.000 0.795 263 E HN 0.411 nan 8.360 nan 0.000 0.470 264 D N 0.290 120.804 120.400 0.190 0.000 2.289 264 D HA -0.008 4.631 4.640 -0.002 0.000 0.207 264 D C 1.701 178.060 176.300 0.099 0.000 0.966 264 D CA 0.577 54.644 54.000 0.112 0.000 0.868 264 D CB 0.279 41.117 40.800 0.065 0.000 0.943 264 D HN 0.105 nan 8.370 nan 0.000 0.514 265 L N -1.109 120.199 121.223 0.142 0.000 2.249 265 L HA 0.071 4.410 4.340 -0.002 0.000 0.207 265 L C 2.033 179.010 176.870 0.178 0.000 1.090 265 L CA 0.196 55.114 54.840 0.130 0.000 0.802 265 L CB -0.188 41.942 42.059 0.119 0.000 0.947 265 L HN 0.145 nan 8.230 nan 0.000 0.453 266 W N 1.453 122.777 121.300 0.039 0.000 2.425 266 W HA -0.133 4.526 4.660 -0.002 0.000 0.277 266 W C 1.498 178.051 176.519 0.057 0.000 1.231 266 W CA 0.939 58.312 57.345 0.046 0.000 1.248 266 W CB 0.038 29.520 29.460 0.037 0.000 1.117 266 W HN 0.040 nan 8.180 nan 0.000 0.568 267 D N 0.313 120.607 120.400 -0.177 0.000 2.339 267 D HA 0.039 4.678 4.640 -0.002 0.000 0.217 267 D C 1.893 178.107 176.300 -0.143 0.000 1.050 267 D CA 0.561 54.347 54.000 -0.355 0.000 0.856 267 D CB 0.053 40.719 40.800 -0.223 0.000 0.922 267 D HN 0.303 nan 8.370 nan 0.000 0.518 268 L N -0.284 120.909 121.223 -0.049 0.000 2.408 268 L HA 0.140 4.479 4.340 -0.002 0.000 0.215 268 L C 2.175 179.095 176.870 0.084 0.000 1.081 268 L CA 0.177 55.024 54.840 0.010 0.000 0.840 268 L CB 0.394 42.481 42.059 0.048 0.000 1.002 268 L HN -0.022 nan 8.230 nan 0.000 0.468 269 L N -0.778 120.468 121.223 0.040 0.000 2.179 269 L HA -0.127 4.212 4.340 -0.002 0.000 0.208 269 L C 2.108 178.969 176.870 -0.014 0.000 1.096 269 L CA 0.937 55.807 54.840 0.050 0.000 0.779 269 L CB -0.134 41.961 42.059 0.060 0.000 0.922 269 L HN 0.316 nan 8.230 nan 0.000 0.443 270 Q N -1.467 118.249 119.800 -0.140 0.000 2.541 270 Q HA -0.190 4.149 4.340 -0.002 0.000 0.215 270 Q C 1.263 177.217 176.000 -0.077 0.000 0.977 270 Q CA 0.939 56.646 55.803 -0.161 0.000 0.934 270 Q CB 0.237 28.762 28.738 -0.355 0.000 0.988 270 Q HN 0.500 nan 8.270 nan 0.000 0.521 271 Y N -1.531 118.674 120.300 -0.158 0.000 2.447 271 Y HA 0.003 4.552 4.550 -0.002 0.000 0.286 271 Y C 1.691 177.493 175.900 -0.163 0.000 1.153 271 Y CA 1.093 59.079 58.100 -0.190 0.000 1.241 271 Y CB 0.048 38.331 38.460 -0.294 0.000 1.284 271 Y HN 0.058 nan 8.280 nan 0.000 0.520 272 H N -1.068 118.107 119.070 0.176 0.000 2.363 272 H HA -0.104 4.451 4.556 -0.002 0.000 0.301 272 H C 2.219 177.486 175.328 -0.102 0.000 1.074 272 H CA 1.878 57.975 56.048 0.082 0.000 1.354 272 H CB -0.016 29.804 29.762 0.097 0.000 1.397 272 H HN 0.188 nan 8.280 nan 0.000 0.516 273 V N 0.674 120.582 119.914 -0.011 0.000 2.295 273 V HA -0.267 3.852 4.120 -0.002 0.000 0.246 273 V C 2.460 178.354 176.094 -0.333 0.000 1.049 273 V CA 1.822 64.004 62.300 -0.197 0.000 1.024 273 V CB -0.770 31.031 31.823 -0.037 0.000 0.648 273 V HN 0.559 nan 8.190 nan 0.000 0.447 274 A N -1.195 121.560 122.820 -0.108 0.000 2.168 274 A HA -0.104 4.215 4.320 -0.002 0.000 0.215 274 A C 2.271 179.772 177.584 -0.138 0.000 1.152 274 A CA 1.806 53.828 52.037 -0.026 0.000 0.716 274 A CB -0.504 18.482 19.000 -0.023 0.000 0.794 274 A HN 0.510 nan 8.150 nan 0.000 0.465 275 T N -2.003 112.408 114.554 -0.238 0.000 2.976 275 T HA -0.020 4.329 4.350 -0.002 0.000 0.257 275 T C 1.704 176.336 174.700 -0.114 0.000 1.051 275 T CA 1.107 63.062 62.100 -0.241 0.000 1.141 275 T CB -0.349 68.271 68.868 -0.413 0.000 0.881 275 T HN 0.609 nan 8.240 nan 0.000 0.461 276 Y N 1.515 121.648 120.300 -0.279 0.000 2.207 276 Y HA -0.173 4.376 4.550 -0.002 0.000 0.287 276 Y C 1.464 177.243 175.900 -0.202 0.000 1.156 276 Y CA 1.142 59.072 58.100 -0.282 0.000 1.182 276 Y CB -0.497 37.697 38.460 -0.442 0.000 0.979 276 Y HN 0.132 nan 8.280 nan 0.000 0.521 277 F N 0.178 120.032 119.950 -0.161 0.000 2.059 277 F HA 0.047 4.573 4.527 -0.002 0.000 0.289 277 F C 1.079 176.755 175.800 -0.207 0.000 1.128 277 F CA 1.102 58.948 58.000 -0.256 0.000 1.181 277 F CB -0.896 37.979 39.000 -0.208 0.000 1.012 277 F HN -0.077 nan 8.300 nan 0.000 0.473 278 D N -0.884 119.532 120.400 0.028 0.000 2.350 278 D HA 0.207 4.846 4.640 -0.002 0.000 0.245 278 D C -1.277 174.989 176.300 -0.058 0.000 1.036 278 D CA -0.320 53.661 54.000 -0.030 0.000 0.848 278 D CB 1.247 42.020 40.800 -0.046 0.000 1.307 278 D HN 0.037 nan 8.370 nan 0.000 0.469 279 N N 2.447 121.120 118.700 -0.046 0.000 2.687 279 N HA 0.184 4.923 4.740 -0.002 0.000 0.275 279 N C -0.252 175.243 175.510 -0.025 0.000 1.789 279 N CA -0.039 52.985 53.050 -0.043 0.000 0.806 279 N CB 0.404 38.876 38.487 -0.025 0.000 1.256 279 N HN 0.533 nan 8.380 nan 0.000 0.500 280 E N -0.150 120.032 120.200 -0.030 0.000 1.964 280 E HA 0.113 4.462 4.350 -0.002 0.000 0.242 280 E C 0.373 176.960 176.600 -0.022 0.000 1.079 280 E CA 0.201 56.590 56.400 -0.018 0.000 1.600 280 E CB -0.348 29.345 29.700 -0.012 0.000 3.831 280 E HN 0.267 nan 8.360 nan 0.000 0.963 281 I N 2.372 122.926 120.570 -0.027 0.000 2.761 281 I HA 0.088 4.257 4.170 -0.002 0.000 0.261 281 I C -1.231 174.870 176.117 -0.027 0.000 1.198 281 I CA -0.144 61.142 61.300 -0.025 0.000 1.482 281 I CB -1.081 36.903 38.000 -0.026 0.000 1.100 281 I HN 0.103 nan 8.210 nan 0.000 0.445 282 P HA -0.008 nan 4.420 nan 0.000 0.278 282 P C 0.709 177.993 177.300 -0.027 0.000 1.270 282 P CA 0.050 63.124 63.100 -0.043 0.000 0.800 282 P CB 0.212 31.863 31.700 -0.082 0.000 1.142 283 G N 0.075 108.863 108.800 -0.019 0.000 3.263 283 G HA2 0.134 4.093 3.960 -0.002 0.000 0.246 283 G HA3 0.134 4.093 3.960 -0.002 0.000 0.246 283 G C 0.249 175.152 174.900 0.005 0.000 0.982 283 G CA -0.261 44.837 45.100 -0.003 0.000 1.897 283 G HN 0.614 nan 8.290 nan 0.000 0.624 284 L N -0.847 120.376 121.223 -0.001 0.000 3.943 284 L HA -0.187 4.152 4.340 -0.002 0.000 0.529 284 L C -0.835 176.056 176.870 0.035 0.000 1.173 284 L CA -0.536 54.310 54.840 0.010 0.000 0.737 284 L CB 0.146 42.212 42.059 0.011 0.000 1.321 284 L HN 0.342 nan 8.230 nan 0.000 0.794 285 P HA -0.106 nan 4.420 nan 0.000 0.214 285 P C -1.270 176.119 177.300 0.148 0.000 1.163 285 P CA 1.339 64.530 63.100 0.151 0.000 0.883 285 P CB -0.320 31.467 31.700 0.144 0.000 0.788 286 P HA 0.237 nan 4.420 nan 0.000 0.280 286 P C -0.855 176.527 177.300 0.138 0.000 1.431 286 P CA -0.075 63.079 63.100 0.090 0.000 1.058 286 P CB 0.336 32.067 31.700 0.053 0.000 1.521 287 S N 1.050 116.895 115.700 0.241 0.000 3.024 287 S HA -0.094 4.375 4.470 -0.002 0.000 0.819 287 S C -0.645 174.091 174.600 0.227 0.000 0.863 287 S CA 0.224 58.601 58.200 0.295 0.000 1.423 287 S CB -1.261 62.157 63.200 0.363 0.000 1.032 287 S HN 0.472 nan 8.310 nan 0.000 0.510 288 K N 3.383 123.891 120.400 0.180 0.000 2.501 288 K HA 0.670 4.989 4.320 -0.002 0.000 0.252 288 K C -1.502 175.135 176.600 0.063 0.000 0.934 288 K CA -1.101 55.279 56.287 0.154 0.000 0.797 288 K CB 1.338 33.878 32.500 0.066 0.000 1.270 288 K HN 0.490 nan 8.250 nan 0.000 0.431 289 H N 1.448 120.573 119.070 0.092 0.000 2.970 289 H HA 0.377 4.931 4.556 -0.002 0.000 0.315 289 H C -0.240 175.162 175.328 0.124 0.000 0.992 289 H CA -0.435 55.675 56.048 0.104 0.000 1.363 289 H CB 1.252 31.072 29.762 0.097 0.000 1.532 289 H HN 0.791 nan 8.280 nan 0.000 0.514 290 R N -0.244 120.332 120.500 0.127 0.000 1.305 290 R HA -0.321 4.018 4.340 -0.002 0.000 0.021 290 R C 2.152 178.488 176.300 0.060 0.000 0.959 290 R CA 2.621 58.776 56.100 0.092 0.000 1.968 290 R CB -1.853 28.516 30.300 0.114 0.000 0.170 290 R HN 0.638 nan 8.270 nan 0.000 0.730 291 S N -0.335 115.405 115.700 0.066 0.000 2.399 291 S HA -0.146 4.323 4.470 -0.002 0.000 0.235 291 S C 1.809 176.430 174.600 0.035 0.000 1.063 291 S CA 2.802 61.028 58.200 0.044 0.000 1.070 291 S CB -0.851 62.377 63.200 0.046 0.000 0.904 291 S HN 1.717 nan 8.310 nan 0.000 0.456 292 G N 1.091 109.916 108.800 0.041 0.000 2.241 292 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.244 292 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.244 292 G C 0.181 175.099 174.900 0.031 0.000 0.998 292 G CA 0.192 45.309 45.100 0.028 0.000 0.621 292 G HN 0.788 nan 8.290 nan 0.000 0.519 293 R N 1.524 122.046 120.500 0.036 0.000 2.297 293 R HA 0.515 4.854 4.340 -0.002 0.000 0.308 293 R C -2.209 174.119 176.300 0.047 0.000 1.029 293 R CA -1.740 54.380 56.100 0.033 0.000 0.929 293 R CB 0.687 31.003 30.300 0.027 0.000 1.046 293 R HN 0.052 nan 8.270 nan 0.000 0.461 294 P HA -0.120 nan 4.420 nan 0.000 0.263 294 P C -0.492 176.843 177.300 0.058 0.000 1.175 294 P CA 0.118 63.250 63.100 0.054 0.000 0.761 294 P CB 0.374 32.097 31.700 0.038 0.000 0.794 295 L N 3.486 124.755 121.223 0.076 0.000 2.464 295 L HA 0.173 4.512 4.340 -0.002 0.000 0.264 295 L C 0.977 177.876 176.870 0.048 0.000 1.199 295 L CA 0.137 55.020 54.840 0.073 0.000 0.818 295 L CB -0.008 42.111 42.059 0.099 0.000 1.102 295 L HN 0.412 nan 8.230 nan 0.000 0.473 296 R N 0.439 120.963 120.500 0.039 0.000 2.229 296 R HA 0.459 4.798 4.340 -0.002 0.000 0.332 296 R C 0.143 176.451 176.300 0.014 0.000 0.989 296 R CA -0.445 55.669 56.100 0.023 0.000 0.842 296 R CB 0.886 31.198 30.300 0.020 0.000 1.119 296 R HN 0.725 nan 8.270 nan 0.000 0.456 297 T N -1.366 113.186 114.554 -0.004 0.000 2.919 297 T HA 0.362 4.711 4.350 -0.002 0.000 0.282 297 T C 1.312 175.980 174.700 -0.053 0.000 1.020 297 T CA -1.040 61.035 62.100 -0.041 0.000 0.994 297 T CB 0.785 69.615 68.868 -0.063 0.000 1.180 297 T HN 0.350 nan 8.240 nan 0.000 0.566 298 L N 0.469 121.626 121.223 -0.110 0.000 1.990 298 L HA -0.122 4.217 4.340 -0.002 0.000 0.213 298 L C 3.131 179.992 176.870 -0.014 0.000 1.072 298 L CA 2.025 56.825 54.840 -0.067 0.000 0.755 298 L CB -0.911 41.086 42.059 -0.104 0.000 0.889 298 L HN 0.942 nan 8.230 nan 0.000 0.432 299 A N -1.232 121.578 122.820 -0.015 0.000 2.067 299 A HA -0.196 4.122 4.320 -0.002 0.000 0.219 299 A C 2.102 179.693 177.584 0.011 0.000 1.158 299 A CA 1.294 53.332 52.037 0.002 0.000 0.661 299 A CB -0.293 18.700 19.000 -0.012 0.000 0.801 299 A HN 0.534 nan 8.150 nan 0.000 0.452 300 Q N -1.403 118.399 119.800 0.003 0.000 2.356 300 Q HA 0.131 4.470 4.340 -0.002 0.000 0.205 300 Q C 1.996 178.008 176.000 0.021 0.000 0.901 300 Q CA -0.022 55.788 55.803 0.012 0.000 0.938 300 Q CB 0.231 28.972 28.738 0.005 0.000 1.081 300 Q HN 0.606 nan 8.270 nan 0.000 0.517 301 R N -0.067 120.444 120.500 0.019 0.000 2.090 301 R HA -0.024 4.315 4.340 -0.002 0.000 0.228 301 R C 1.849 178.175 176.300 0.043 0.000 1.110 301 R CA 0.977 57.090 56.100 0.022 0.000 0.973 301 R CB 0.076 30.383 30.300 0.011 0.000 0.869 301 R HN 0.216 nan 8.270 nan 0.000 0.440 302 L N 0.064 121.330 121.223 0.073 0.000 2.168 302 L HA -0.017 4.322 4.340 -0.002 0.000 0.203 302 L C 2.492 179.460 176.870 0.164 0.000 1.078 302 L CA 0.848 55.781 54.840 0.154 0.000 0.780 302 L CB -0.319 41.868 42.059 0.214 0.000 0.939 302 L HN 0.065 nan 8.230 nan 0.000 0.451 303 K N 0.909 121.366 120.400 0.094 0.000 2.103 303 K HA -0.082 4.237 4.320 -0.002 0.000 0.207 303 K C 1.011 177.649 176.600 0.063 0.000 1.048 303 K CA 0.761 57.086 56.287 0.063 0.000 0.930 303 K CB -0.282 32.237 32.500 0.031 0.000 0.716 303 K HN 0.287 nan 8.250 nan 0.000 0.444 304 G N 1.224 110.060 108.800 0.060 0.000 2.353 304 G HA2 -0.098 3.861 3.960 -0.002 0.000 0.239 304 G HA3 -0.098 3.861 3.960 -0.002 0.000 0.239 304 G C -0.192 174.744 174.900 0.061 0.000 1.295 304 G CA -0.226 44.903 45.100 0.050 0.000 0.884 304 G HN 0.286 nan 8.290 nan 0.000 0.537 305 K N 0.957 121.387 120.400 0.049 0.000 2.665 305 K HA -0.019 4.300 4.320 -0.002 0.000 0.196 305 K C 0.842 177.470 176.600 0.048 0.000 1.021 305 K CA 0.656 56.974 56.287 0.053 0.000 1.066 305 K CB 0.245 32.772 32.500 0.046 0.000 0.849 305 K HN 0.605 nan 8.250 nan 0.000 0.500 306 E N -0.457 119.770 120.200 0.045 0.000 2.702 306 E HA 0.071 4.420 4.350 -0.002 0.000 0.225 306 E C 0.108 176.728 176.600 0.033 0.000 0.942 306 E CA -0.126 56.295 56.400 0.035 0.000 1.210 306 E CB 1.562 31.277 29.700 0.024 0.000 1.143 306 E HN 0.184 nan 8.360 nan 0.000 0.544 307 G N 0.892 109.720 108.800 0.046 0.000 2.590 307 G HA2 0.370 4.329 3.960 -0.002 0.000 0.310 307 G HA3 0.370 4.329 3.960 -0.002 0.000 0.310 307 G C 0.487 175.404 174.900 0.029 0.000 1.347 307 G CA -0.422 44.697 45.100 0.032 0.000 0.963 307 G HN -0.138 nan 8.290 nan 0.000 0.494 308 R N 0.837 121.317 120.500 -0.033 0.000 1.605 308 R HA -0.268 4.071 4.340 -0.002 0.000 0.081 308 R C 0.632 176.843 176.300 -0.148 0.000 0.952 308 R CA 2.072 58.084 56.100 -0.145 0.000 1.559 308 R CB -1.642 28.508 30.300 -0.251 0.000 0.408 308 R HN 0.582 nan 8.270 nan 0.000 0.599 309 F N 3.694 123.655 119.950 0.019 0.000 2.662 309 F HA 0.240 4.765 4.527 -0.002 0.000 0.365 309 F C 1.635 177.444 175.800 0.015 0.000 1.222 309 F CA 0.874 58.885 58.000 0.018 0.000 1.315 309 F CB -0.011 38.997 39.000 0.014 0.000 1.711 309 F HN 0.245 nan 8.300 nan 0.000 0.651 310 R N -1.041 119.544 120.500 0.141 0.000 1.541 310 R HA -0.087 4.252 4.340 -0.002 0.000 0.241 310 R C 1.679 178.013 176.300 0.057 0.000 0.502 310 R CA 0.516 56.675 56.100 0.097 0.000 2.326 310 R CB -1.253 29.105 30.300 0.097 0.000 1.418 310 R HN 0.498 nan 8.270 nan 0.000 0.380 311 G N -0.301 108.524 108.800 0.041 0.000 2.833 311 G HA2 0.046 4.005 3.960 -0.002 0.000 0.210 311 G HA3 0.046 4.005 3.960 -0.002 0.000 0.210 311 G C 0.793 175.697 174.900 0.006 0.000 1.139 311 G CA 0.730 45.843 45.100 0.022 0.000 0.771 311 G HN 0.298 nan 8.290 nan 0.000 0.535 312 N N -1.487 117.209 118.700 -0.007 0.000 2.200 312 N HA 0.255 4.994 4.740 -0.002 0.000 0.233 312 N C 1.437 176.929 175.510 -0.030 0.000 1.236 312 N CA -0.143 52.892 53.050 -0.025 0.000 0.845 312 N CB 0.553 39.011 38.487 -0.049 0.000 1.257 312 N HN 0.078 nan 8.380 nan 0.000 0.472 313 L N -0.958 120.245 121.223 -0.033 0.000 2.515 313 L HA 0.331 4.670 4.340 -0.002 0.000 0.202 313 L C 1.449 178.332 176.870 0.022 0.000 1.056 313 L CA 0.580 55.403 54.840 -0.029 0.000 0.847 313 L CB 0.214 42.213 42.059 -0.100 0.000 1.131 313 L HN -0.019 nan 8.230 nan 0.000 0.484 314 S N -0.861 114.872 115.700 0.054 0.000 2.517 314 S HA 0.250 4.719 4.470 -0.002 0.000 0.214 314 S C 0.632 175.261 174.600 0.048 0.000 0.991 314 S CA 0.363 58.602 58.200 0.065 0.000 0.906 314 S CB 0.462 63.719 63.200 0.095 0.000 0.789 314 S HN 0.386 nan 8.310 nan 0.000 0.513 315 G N 1.294 110.119 108.800 0.043 0.000 2.704 315 G HA2 0.516 4.475 3.960 -0.002 0.000 0.280 315 G HA3 0.516 4.475 3.960 -0.002 0.000 0.280 315 G C -0.962 173.958 174.900 0.033 0.000 1.499 315 G CA -0.536 44.587 45.100 0.039 0.000 1.146 315 G HN 0.091 nan 8.290 nan 0.000 0.558 316 K N 0.930 121.352 120.400 0.036 0.000 2.245 316 K HA 0.589 4.908 4.320 -0.002 0.000 0.234 316 K C 0.006 176.627 176.600 0.036 0.000 1.021 316 K CA -0.922 55.383 56.287 0.030 0.000 0.898 316 K CB 1.963 34.480 32.500 0.029 0.000 1.163 316 K HN 0.374 nan 8.250 nan 0.000 0.459 317 R N 0.910 121.422 120.500 0.021 0.000 2.407 317 R HA 0.381 4.720 4.340 -0.002 0.000 0.303 317 R C -0.554 175.755 176.300 0.014 0.000 0.981 317 R CA -0.784 55.324 56.100 0.014 0.000 0.905 317 R CB 1.302 31.599 30.300 -0.005 0.000 1.099 317 R HN 0.388 nan 8.270 nan 0.000 0.459 318 V N -1.300 118.620 119.914 0.011 0.000 2.735 318 V HA 0.421 4.540 4.120 -0.002 0.000 0.310 318 V C -0.389 175.694 176.094 -0.018 0.000 1.061 318 V CA -1.232 61.085 62.300 0.028 0.000 0.913 318 V CB 2.041 33.928 31.823 0.107 0.000 1.005 318 V HN 0.580 nan 8.190 nan 0.000 0.428 319 D N 2.042 122.436 120.400 -0.009 0.000 2.369 319 D HA 0.453 5.092 4.640 -0.002 0.000 0.241 319 D C -0.163 176.132 176.300 -0.009 0.000 1.271 319 D CA 0.467 54.395 54.000 -0.121 0.000 0.942 319 D CB -0.118 40.561 40.800 -0.202 0.000 1.129 319 D HN 0.677 nan 8.370 nan 0.000 0.476 320 F N -0.477 119.445 119.950 -0.046 0.000 2.635 320 F HA -0.219 4.307 4.527 -0.002 0.000 0.228 320 F C -0.039 175.713 175.800 -0.080 0.000 1.029 320 F CA 0.312 58.288 58.000 -0.040 0.000 0.907 320 F CB -1.897 37.096 39.000 -0.010 0.000 0.893 320 F HN 0.185 nan 8.300 nan 0.000 0.845 321 S N -1.280 114.409 115.700 -0.019 0.000 2.543 321 S HA 0.778 5.247 4.470 -0.002 0.000 0.273 321 S C -0.656 173.895 174.600 -0.082 0.000 1.152 321 S CA -0.365 57.733 58.200 -0.169 0.000 0.910 321 S CB 2.236 65.109 63.200 -0.544 0.000 1.105 321 S HN 0.547 nan 8.310 nan 0.000 0.465 322 S N 1.141 116.848 115.700 0.013 0.000 2.599 322 S HA 0.818 5.287 4.470 -0.002 0.000 0.294 322 S C -1.002 173.731 174.600 0.221 0.000 1.094 322 S CA -0.770 57.508 58.200 0.131 0.000 0.931 322 S CB 1.738 65.099 63.200 0.270 0.000 1.093 322 S HN 0.898 nan 8.310 nan 0.000 0.488 323 R N 1.502 122.081 120.500 0.132 0.000 2.621 323 R HA 0.704 5.043 4.340 -0.002 0.000 0.284 323 R C -1.416 174.792 176.300 -0.154 0.000 0.998 323 R CA -0.272 55.873 56.100 0.075 0.000 0.895 323 R CB 1.910 32.215 30.300 0.008 0.000 1.195 323 R HN 0.800 nan 8.270 nan 0.000 0.450 324 T N 0.932 115.287 114.554 -0.332 0.000 2.711 324 T HA 0.250 4.599 4.350 -0.002 0.000 0.302 324 T C -0.984 173.541 174.700 -0.291 0.000 1.373 324 T CA -0.649 61.184 62.100 -0.445 0.000 1.000 324 T CB 1.300 69.670 68.868 -0.831 0.000 1.483 324 T HN 0.235 nan 8.240 nan 0.000 0.499 325 V N 2.426 122.212 119.914 -0.213 0.000 2.686 325 V HA 0.406 4.525 4.120 -0.002 0.000 0.295 325 V C 0.443 176.509 176.094 -0.046 0.000 1.055 325 V CA -0.520 61.722 62.300 -0.096 0.000 1.050 325 V CB 0.389 32.177 31.823 -0.058 0.000 0.984 325 V HN 0.755 nan 8.190 nan 0.000 0.482 326 I N 2.429 123.048 120.570 0.083 0.000 2.437 326 I HA 0.849 5.018 4.170 -0.002 0.000 0.298 326 I C 0.032 176.365 176.117 0.360 0.000 0.984 326 I CA -0.078 61.365 61.300 0.239 0.000 1.214 326 I CB 1.996 40.180 38.000 0.306 0.000 1.365 326 I HN 0.706 nan 8.210 nan 0.000 0.469 327 S N 5.528 121.359 115.700 0.218 0.000 2.570 327 S HA 0.725 5.194 4.470 -0.002 0.000 0.286 327 S C -2.914 171.372 174.600 -0.523 0.000 1.099 327 S CA -1.436 56.696 58.200 -0.114 0.000 0.913 327 S CB 1.848 64.981 63.200 -0.112 0.000 1.085 327 S HN 0.637 nan 8.310 nan 0.000 0.480 328 P HA 0.456 nan 4.420 nan 0.000 0.274 328 P C -1.273 175.815 177.300 -0.353 0.000 1.231 328 P CA 0.060 62.550 63.100 -1.016 0.000 0.790 328 P CB 0.438 31.464 31.700 -1.122 0.000 0.951 329 D N 1.852 122.161 120.400 -0.152 0.000 2.470 329 D HA 0.178 4.817 4.640 -0.002 0.000 0.233 329 D C -1.924 174.378 176.300 0.003 0.000 1.372 329 D CA -1.833 52.128 54.000 -0.065 0.000 0.994 329 D CB 1.534 42.310 40.800 -0.041 0.000 1.377 329 D HN 0.069 nan 8.370 nan 0.000 0.586 330 P HA -0.063 nan 4.420 nan 0.000 0.221 330 P C 0.129 177.469 177.300 0.067 0.000 1.150 330 P CA 0.468 63.623 63.100 0.093 0.000 0.800 330 P CB 0.601 32.347 31.700 0.077 0.000 0.787 331 N N 1.401 120.120 118.700 0.032 0.000 2.405 331 N HA 0.322 5.061 4.740 -0.002 0.000 0.269 331 N C 0.753 176.273 175.510 0.016 0.000 1.249 331 N CA -0.639 52.424 53.050 0.021 0.000 0.974 331 N CB -0.023 38.473 38.487 0.014 0.000 1.204 331 N HN 0.130 nan 8.380 nan 0.000 0.565 332 I N -3.574 117.005 120.570 0.014 0.000 8.975 332 I HA -0.271 3.898 4.170 -0.002 0.000 0.126 332 I C -0.051 176.074 176.117 0.013 0.000 1.857 332 I CA -0.097 61.211 61.300 0.014 0.000 2.051 332 I CB -0.836 37.170 38.000 0.010 0.000 3.917 332 I HN 0.475 nan 8.210 nan 0.000 0.173 333 S N 4.542 120.248 115.700 0.010 0.000 2.580 333 S HA 0.335 4.804 4.470 -0.002 0.000 0.266 333 S C 1.310 175.914 174.600 0.006 0.000 1.354 333 S CA 0.106 58.306 58.200 -0.001 0.000 1.008 333 S CB 0.650 63.846 63.200 -0.006 0.000 0.898 333 S HN 0.605 nan 8.310 nan 0.000 0.555 334 I N 1.635 122.196 120.570 -0.014 0.000 2.335 334 I HA -0.162 4.007 4.170 -0.002 0.000 0.251 334 I C 1.554 177.660 176.117 -0.019 0.000 1.129 334 I CA 1.294 62.587 61.300 -0.011 0.000 1.402 334 I CB -0.333 37.642 38.000 -0.043 0.000 1.069 334 I HN 0.641 nan 8.210 nan 0.000 0.424 335 D N 0.618 120.999 120.400 -0.032 0.000 2.183 335 D HA -0.042 4.597 4.640 -0.002 0.000 0.203 335 D C 0.836 177.121 176.300 -0.025 0.000 0.969 335 D CA 0.670 54.624 54.000 -0.076 0.000 0.842 335 D CB 0.025 40.801 40.800 -0.039 0.000 0.957 335 D HN 0.362 nan 8.370 nan 0.000 0.484 336 E N -0.068 120.163 120.200 0.052 0.000 2.374 336 E HA 0.279 4.628 4.350 -0.002 0.000 0.260 336 E C -0.763 175.916 176.600 0.132 0.000 1.101 336 E CA -0.257 56.189 56.400 0.078 0.000 0.907 336 E CB 2.390 32.105 29.700 0.025 0.000 1.014 336 E HN -0.211 nan 8.360 nan 0.000 0.427 337 V N 1.714 121.585 119.914 -0.072 0.000 2.525 337 V HA 0.481 4.600 4.120 -0.002 0.000 0.299 337 V C -0.308 175.630 176.094 -0.259 0.000 1.034 337 V CA -0.421 61.636 62.300 -0.406 0.000 0.863 337 V CB 1.602 32.769 31.823 -1.093 0.000 0.999 337 V HN 0.715 nan 8.190 nan 0.000 0.423 338 G N 5.723 114.426 108.800 -0.161 0.000 2.358 338 G HA2 0.495 4.454 3.960 -0.002 0.000 0.273 338 G HA3 0.495 4.454 3.960 -0.002 0.000 0.273 338 G C -0.697 174.197 174.900 -0.010 0.000 1.215 338 G CA -0.098 44.964 45.100 -0.064 0.000 0.910 338 G HN 0.810 nan 8.290 nan 0.000 0.467 339 V N 5.694 125.599 119.914 -0.015 0.000 2.555 339 V HA 0.352 4.471 4.120 -0.002 0.000 0.302 339 V C -1.981 174.125 176.094 0.020 0.000 1.038 339 V CA -1.663 60.682 62.300 0.075 0.000 0.887 339 V CB 2.477 34.299 31.823 -0.002 0.000 0.991 339 V HN 0.573 nan 8.190 nan 0.000 0.434 340 P HA 0.109 nan 4.420 nan 0.000 0.269 340 P C 0.737 177.966 177.300 -0.118 0.000 1.215 340 P CA 0.017 63.090 63.100 -0.045 0.000 0.780 340 P CB 0.864 32.543 31.700 -0.035 0.000 0.898 341 E N 1.902 121.981 120.200 -0.201 0.000 2.077 341 E HA -0.162 4.187 4.350 -0.002 0.000 0.193 341 E C 1.567 178.080 176.600 -0.145 0.000 0.989 341 E CA 1.054 57.272 56.400 -0.303 0.000 0.800 341 E CB -0.195 29.318 29.700 -0.313 0.000 0.746 341 E HN 0.262 nan 8.360 nan 0.000 0.452 342 I N 1.584 122.105 120.570 -0.082 0.000 2.208 342 I HA -0.286 3.883 4.170 -0.002 0.000 0.245 342 I C 2.330 178.434 176.117 -0.022 0.000 1.097 342 I CA 1.025 62.303 61.300 -0.037 0.000 1.363 342 I CB -0.983 36.997 38.000 -0.035 0.000 1.051 342 I HN 0.289 nan 8.210 nan 0.000 0.413 343 I N 1.289 121.855 120.570 -0.006 0.000 2.286 343 I HA -0.192 3.977 4.170 -0.002 0.000 0.248 343 I C 2.806 178.935 176.117 0.021 0.000 1.115 343 I CA 1.461 62.785 61.300 0.040 0.000 1.392 343 I CB -1.592 36.491 38.000 0.138 0.000 1.065 343 I HN 0.125 nan 8.210 nan 0.000 0.418 344 A N 0.726 123.540 122.820 -0.009 0.000 2.015 344 A HA -0.136 4.183 4.320 -0.002 0.000 0.219 344 A C 2.435 180.012 177.584 -0.012 0.000 1.163 344 A CA 0.916 52.961 52.037 0.013 0.000 0.646 344 A CB -0.459 18.517 19.000 -0.040 0.000 0.806 344 A HN 0.319 nan 8.150 nan 0.000 0.448 345 R N -1.040 119.431 120.500 -0.047 0.000 2.153 345 R HA -0.027 4.312 4.340 -0.002 0.000 0.218 345 R C 1.795 177.889 176.300 -0.343 0.000 1.072 345 R CA 1.575 57.523 56.100 -0.253 0.000 0.990 345 R CB -0.258 30.062 30.300 0.034 0.000 0.889 345 R HN 0.520 nan 8.270 nan 0.000 0.452 346 T N 1.043 115.521 114.554 -0.127 0.000 2.866 346 T HA 0.132 4.481 4.350 -0.002 0.000 0.250 346 T C 0.831 175.535 174.700 0.007 0.000 1.033 346 T CA 0.316 62.383 62.100 -0.055 0.000 1.145 346 T CB 0.084 68.942 68.868 -0.017 0.000 0.866 346 T HN 0.003 nan 8.240 nan 0.000 0.434 347 L N 3.301 124.555 121.223 0.050 0.000 2.410 347 L HA 0.341 4.680 4.340 -0.002 0.000 0.273 347 L C 0.513 177.462 176.870 0.133 0.000 1.144 347 L CA -0.346 54.596 54.840 0.171 0.000 0.863 347 L CB 0.268 42.418 42.059 0.151 0.000 1.140 347 L HN 0.324 nan 8.230 nan 0.000 0.463 348 T N 0.044 114.733 114.554 0.225 0.000 2.906 348 T HA 0.703 5.051 4.350 -0.002 0.000 0.295 348 T C -0.424 174.246 174.700 -0.050 0.000 1.075 348 T CA -0.868 61.297 62.100 0.109 0.000 1.005 348 T CB 2.037 71.017 68.868 0.188 0.000 1.136 348 T HN 0.338 nan 8.240 nan 0.000 0.498 349 V N -1.083 118.804 119.914 -0.046 0.000 2.513 349 V HA 0.801 4.920 4.120 -0.002 0.000 0.299 349 V C -2.917 173.155 176.094 -0.036 0.000 1.035 349 V CA -2.911 59.327 62.300 -0.104 0.000 0.889 349 V CB 1.406 33.190 31.823 -0.065 0.000 0.988 349 V HN 0.816 nan 8.190 nan 0.000 0.440 350 P HA 0.371 nan 4.420 nan 0.000 0.251 350 P C -0.496 176.818 177.300 0.023 0.000 1.718 350 P CA 0.101 63.204 63.100 0.005 0.000 1.119 350 P CB 0.407 32.100 31.700 -0.012 0.000 1.762 351 E N 3.548 123.779 120.200 0.051 0.000 2.200 351 E HA 0.189 4.538 4.350 -0.002 0.000 0.283 351 E C -0.153 176.493 176.600 0.077 0.000 1.015 351 E CA -0.760 55.680 56.400 0.066 0.000 0.819 351 E CB 0.756 30.509 29.700 0.088 0.000 1.081 351 E HN 0.250 nan 8.360 nan 0.000 0.397 352 R N 3.346 123.885 120.500 0.066 0.000 2.539 352 R HA 0.203 4.541 4.340 -0.002 0.000 0.275 352 R C -0.081 176.251 176.300 0.054 0.000 1.077 352 R CA -0.597 55.538 56.100 0.058 0.000 1.097 352 R CB 0.469 30.792 30.300 0.038 0.000 1.018 352 R HN 0.484 nan 8.270 nan 0.000 0.483 353 I N 1.985 122.584 120.570 0.049 0.000 2.517 353 I HA -0.032 4.137 4.170 -0.002 0.000 0.285 353 I C 0.785 176.857 176.117 -0.075 0.000 1.106 353 I CA 0.890 62.198 61.300 0.013 0.000 1.402 353 I CB 0.800 38.822 38.000 0.038 0.000 1.399 353 I HN 0.648 nan 8.210 nan 0.000 0.535 354 T N 3.713 118.173 114.554 -0.157 0.000 2.932 354 T HA 0.468 4.817 4.350 -0.002 0.000 0.289 354 T C -2.160 172.159 174.700 -0.634 0.000 1.039 354 T CA -2.070 59.762 62.100 -0.447 0.000 1.024 354 T CB 1.683 70.280 68.868 -0.451 0.000 1.090 354 T HN 0.229 nan 8.240 nan 0.000 0.496 355 P HA 0.084 nan 4.420 nan 0.000 0.236 355 P C -0.063 177.037 177.300 -0.334 0.000 1.172 355 P CA 0.464 63.221 63.100 -0.570 0.000 0.759 355 P CB -0.273 31.098 31.700 -0.550 0.000 0.843 356 W N -1.483 119.820 121.300 0.005 0.000 3.231 356 W HA 0.232 4.891 4.660 -0.002 0.000 0.234 356 W C 0.804 177.320 176.519 -0.006 0.000 1.099 356 W CA 0.133 57.477 57.345 -0.002 0.000 1.467 356 W CB -1.733 27.727 29.460 0.001 0.000 0.800 356 W HN -0.126 nan 8.180 nan 0.000 0.739 357 N N 1.964 120.873 118.700 0.348 0.000 2.276 357 N HA 0.013 4.751 4.740 -0.002 0.000 0.212 357 N C 0.859 176.416 175.510 0.078 0.000 1.127 357 N CA 0.316 53.494 53.050 0.213 0.000 0.834 357 N CB -0.434 38.211 38.487 0.262 0.000 1.014 357 N HN 0.269 nan 8.380 nan 0.000 0.491 358 I N 0.618 121.202 120.570 0.022 0.000 2.233 358 I HA -0.066 4.103 4.170 -0.002 0.000 0.243 358 I C 2.056 178.150 176.117 -0.039 0.000 1.093 358 I CA 1.352 62.640 61.300 -0.021 0.000 1.380 358 I CB -0.142 37.826 38.000 -0.054 0.000 1.067 358 I HN 0.146 nan 8.210 nan 0.000 0.413 359 E N 0.815 120.989 120.200 -0.042 0.000 2.268 359 E HA -0.248 4.101 4.350 -0.002 0.000 0.195 359 E C 2.188 178.702 176.600 -0.143 0.000 0.995 359 E CA 1.255 57.609 56.400 -0.078 0.000 0.836 359 E CB -0.342 29.322 29.700 -0.060 0.000 0.763 359 E HN 0.503 nan 8.360 nan 0.000 0.491 360 K N -0.336 119.981 120.400 -0.138 0.000 2.025 360 K HA -0.112 4.207 4.320 -0.002 0.000 0.207 360 K C 1.629 177.989 176.600 -0.399 0.000 1.049 360 K CA 1.113 57.234 56.287 -0.277 0.000 0.933 360 K CB -0.049 32.385 32.500 -0.111 0.000 0.714 360 K HN 0.172 nan 8.250 nan 0.000 0.438 361 L N 1.242 122.404 121.223 -0.102 0.000 2.240 361 L HA 0.038 4.377 4.340 -0.002 0.000 0.211 361 L C 2.250 179.113 176.870 -0.011 0.000 1.106 361 L CA 1.181 56.055 54.840 0.056 0.000 0.793 361 L CB -0.310 41.825 42.059 0.125 0.000 0.927 361 L HN 0.104 nan 8.230 nan 0.000 0.446 362 R N -1.073 119.379 120.500 -0.081 0.000 2.115 362 R HA -0.195 4.144 4.340 -0.002 0.000 0.230 362 R C 2.139 178.374 176.300 -0.109 0.000 1.111 362 R CA 1.120 57.170 56.100 -0.083 0.000 0.976 362 R CB -0.139 30.108 30.300 -0.089 0.000 0.870 362 R HN 0.291 nan 8.270 nan 0.000 0.445 363 Q N 0.019 119.692 119.800 -0.211 0.000 2.123 363 Q HA -0.096 4.242 4.340 -0.002 0.000 0.199 363 Q C 1.447 177.335 176.000 -0.187 0.000 0.966 363 Q CA 1.566 57.218 55.803 -0.251 0.000 0.845 363 Q CB -0.054 28.446 28.738 -0.396 0.000 0.907 363 Q HN 0.154 nan 8.270 nan 0.000 0.439 364 F N -0.801 119.099 119.950 -0.084 0.000 2.113 364 F HA -0.094 4.432 4.527 -0.002 0.000 0.297 364 F C 2.306 178.053 175.800 -0.089 0.000 1.103 364 F CA 0.926 58.861 58.000 -0.108 0.000 1.248 364 F CB -1.132 37.814 39.000 -0.090 0.000 0.999 364 F HN 0.029 nan 8.300 nan 0.000 0.475 365 V N 0.263 120.255 119.914 0.129 0.000 2.759 365 V HA -0.169 3.950 4.120 -0.002 0.000 0.256 365 V C 2.087 178.193 176.094 0.019 0.000 1.080 365 V CA 1.153 63.492 62.300 0.065 0.000 1.101 365 V CB -0.327 31.523 31.823 0.045 0.000 0.698 365 V HN 0.308 nan 8.190 nan 0.000 0.477 366 I N -0.106 120.464 120.570 -0.001 0.000 2.716 366 I HA -0.071 4.098 4.170 -0.002 0.000 0.259 366 I C 2.139 178.249 176.117 -0.012 0.000 1.172 366 I CA 1.083 62.373 61.300 -0.016 0.000 1.478 366 I CB -0.659 37.319 38.000 -0.037 0.000 1.104 366 I HN 0.387 nan 8.210 nan 0.000 0.439 367 N N 1.361 120.057 118.700 -0.007 0.000 2.120 367 N HA -0.071 4.668 4.740 -0.002 0.000 0.188 367 N C 1.163 176.665 175.510 -0.013 0.000 1.024 367 N CA 1.375 54.419 53.050 -0.010 0.000 0.852 367 N CB -0.096 38.389 38.487 -0.004 0.000 1.003 367 N HN 0.536 nan 8.380 nan 0.000 0.424 368 G N -0.034 108.758 108.800 -0.014 0.000 2.685 368 G HA2 -0.158 3.801 3.960 -0.002 0.000 0.387 368 G HA3 -0.158 3.801 3.960 -0.002 0.000 0.387 368 G C -2.315 172.574 174.900 -0.019 0.000 1.324 368 G CA -0.140 44.957 45.100 -0.005 0.000 0.878 368 G HN 0.111 nan 8.290 nan 0.000 0.527 369 P HA 0.187 nan 4.420 nan 0.000 0.249 369 P C 0.408 177.811 177.300 0.171 0.000 1.229 369 P CA 1.004 64.215 63.100 0.186 0.000 0.788 369 P CB 0.399 32.160 31.700 0.102 0.000 1.072 370 D N -0.708 119.746 120.400 0.090 0.000 2.338 370 D HA 0.025 4.664 4.640 -0.002 0.000 0.224 370 D C 0.814 177.174 176.300 0.100 0.000 0.967 370 D CA 0.869 54.924 54.000 0.093 0.000 0.896 370 D CB 0.067 40.903 40.800 0.060 0.000 1.028 370 D HN -0.060 nan 8.370 nan 0.000 0.493 371 K N 1.152 121.588 120.400 0.060 0.000 2.276 371 K HA 0.006 4.325 4.320 -0.002 0.000 0.283 371 K C 0.785 177.431 176.600 0.076 0.000 1.044 371 K CA -0.553 55.778 56.287 0.073 0.000 0.944 371 K CB 0.960 33.481 32.500 0.035 0.000 1.012 371 K HN -0.029 nan 8.250 nan 0.000 0.472 372 W N 7.501 128.789 121.300 -0.020 0.000 2.274 372 W HA -0.214 4.445 4.660 -0.002 0.000 0.333 372 W C -1.420 174.995 176.519 -0.173 0.000 1.290 372 W CA 1.461 58.800 57.345 -0.010 0.000 1.208 372 W CB -1.800 27.684 29.460 0.040 0.000 1.155 372 W HN 0.430 nan 8.180 nan 0.000 0.462 373 P HA 0.327 nan 4.420 nan 0.000 0.268 373 P C 0.014 177.146 177.300 -0.280 0.000 1.485 373 P CA 1.018 63.704 63.100 -0.690 0.000 1.102 373 P CB 0.301 31.682 31.700 -0.532 0.000 1.501 374 G N 1.582 110.002 108.800 -0.633 0.000 2.871 374 G HA2 0.766 4.725 3.960 -0.002 0.000 0.282 374 G HA3 0.766 4.725 3.960 -0.002 0.000 0.282 374 G C -1.839 172.884 174.900 -0.295 0.000 1.212 374 G CA -0.332 44.528 45.100 -0.400 0.000 0.812 374 G HN 0.492 nan 8.290 nan 0.000 0.547 375 A N -1.259 121.547 122.820 -0.023 0.000 2.587 375 A HA 0.704 5.023 4.320 -0.002 0.000 0.293 375 A C -0.248 177.460 177.584 0.207 0.000 1.087 375 A CA -0.506 51.672 52.037 0.235 0.000 0.692 375 A CB 1.501 20.596 19.000 0.157 0.000 1.291 375 A HN 0.374 nan 8.150 nan 0.000 0.407 376 N N -0.932 117.865 118.700 0.162 0.000 2.463 376 N HA 0.232 4.970 4.740 -0.002 0.000 0.183 376 N C -0.798 174.392 175.510 -0.533 0.000 1.064 376 N CA 1.130 54.094 53.050 -0.144 0.000 0.879 376 N CB 0.146 38.609 38.487 -0.040 0.000 1.148 376 N HN 0.647 nan 8.380 nan 0.000 0.451 377 Y N -1.239 119.116 120.300 0.092 0.000 2.615 377 Y HA 0.567 5.116 4.550 -0.002 0.000 0.341 377 Y C -0.694 175.260 175.900 0.089 0.000 1.089 377 Y CA -1.189 56.956 58.100 0.076 0.000 1.049 377 Y CB 2.291 40.792 38.460 0.068 0.000 1.296 377 Y HN -0.327 nan 8.280 nan 0.000 0.470 378 V N 3.817 123.878 119.914 0.245 0.000 2.532 378 V HA 0.517 4.636 4.120 -0.002 0.000 0.294 378 V C -1.311 174.915 176.094 0.219 0.000 1.036 378 V CA -0.583 61.840 62.300 0.204 0.000 0.876 378 V CB 0.789 32.698 31.823 0.145 0.000 1.012 378 V HN 0.682 nan 8.190 nan 0.000 0.432 379 I N 7.671 128.359 120.570 0.198 0.000 2.379 379 I HA 0.425 4.594 4.170 -0.002 0.000 0.290 379 I C 0.952 177.153 176.117 0.140 0.000 1.063 379 I CA -0.220 61.167 61.300 0.145 0.000 1.351 379 I CB 0.702 38.756 38.000 0.091 0.000 1.410 379 I HN 0.544 nan 8.210 nan 0.000 0.505 380 R N 7.861 128.416 120.500 0.091 0.000 2.707 380 R HA 0.159 4.498 4.340 -0.002 0.000 0.270 380 R C -1.343 174.822 176.300 -0.226 0.000 1.083 380 R CA -1.308 54.727 56.100 -0.109 0.000 1.182 380 R CB 0.120 30.405 30.300 -0.025 0.000 1.084 380 R HN 0.407 nan 8.270 nan 0.000 0.528 381 P HA -0.121 nan 4.420 nan 0.000 0.228 381 P C -0.253 176.959 177.300 -0.146 0.000 1.151 381 P CA 1.133 64.078 63.100 -0.259 0.000 0.770 381 P CB 0.228 31.740 31.700 -0.313 0.000 0.786 382 D N -0.215 120.111 120.400 -0.123 0.000 2.183 382 D HA 0.038 4.677 4.640 -0.002 0.000 0.203 382 D C 1.784 178.063 176.300 -0.036 0.000 0.969 382 D CA 1.792 55.756 54.000 -0.059 0.000 0.842 382 D CB -0.644 40.137 40.800 -0.031 0.000 0.957 382 D HN 0.244 nan 8.370 nan 0.000 0.484 383 G N 0.019 108.800 108.800 -0.031 0.000 2.179 383 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.220 383 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.220 383 G C 0.354 175.259 174.900 0.007 0.000 0.990 383 G CA -0.115 44.978 45.100 -0.011 0.000 0.646 383 G HN 0.371 nan 8.290 nan 0.000 0.517 384 R N 0.490 121.000 120.500 0.017 0.000 2.404 384 R HA 0.635 4.973 4.340 -0.002 0.000 0.291 384 R C 0.379 176.718 176.300 0.066 0.000 1.025 384 R CA -0.681 55.442 56.100 0.039 0.000 0.991 384 R CB 0.525 30.851 30.300 0.043 0.000 1.053 384 R HN 0.244 nan 8.270 nan 0.000 0.479 385 R N 4.172 124.717 120.500 0.076 0.000 2.474 385 R HA 0.366 4.704 4.340 -0.002 0.000 0.295 385 R C -0.767 175.621 176.300 0.146 0.000 0.980 385 R CA -0.655 55.513 56.100 0.114 0.000 0.934 385 R CB 0.889 31.245 30.300 0.092 0.000 1.101 385 R HN 0.464 nan 8.270 nan 0.000 0.469 386 I N 3.110 123.791 120.570 0.185 0.000 2.418 386 I HA 0.201 4.370 4.170 -0.002 0.000 0.287 386 I C -0.378 175.816 176.117 0.129 0.000 1.008 386 I CA -0.744 60.646 61.300 0.150 0.000 1.104 386 I CB 1.467 39.545 38.000 0.130 0.000 1.264 386 I HN 0.566 nan 8.210 nan 0.000 0.438 387 D N 5.729 126.155 120.400 0.044 0.000 2.210 387 D HA 0.237 4.876 4.640 -0.002 0.000 0.249 387 D C 0.649 176.889 176.300 -0.100 0.000 1.078 387 D CA -0.388 53.517 54.000 -0.157 0.000 0.875 387 D CB 1.934 42.579 40.800 -0.257 0.000 1.175 387 D HN 0.220 nan 8.370 nan 0.000 0.440 388 L N 3.762 124.887 121.223 -0.164 0.000 2.477 388 L HA 0.076 4.415 4.340 -0.002 0.000 0.220 388 L C 2.202 179.067 176.870 -0.009 0.000 1.106 388 L CA 0.354 55.163 54.840 -0.052 0.000 0.851 388 L CB -0.547 41.482 42.059 -0.049 0.000 0.994 388 L HN 0.338 nan 8.230 nan 0.000 0.462 389 R N -0.682 119.796 120.500 -0.037 0.000 2.096 389 R HA -0.175 4.164 4.340 -0.002 0.000 0.235 389 R C 2.019 178.430 176.300 0.185 0.000 1.127 389 R CA 1.260 57.389 56.100 0.047 0.000 0.968 389 R CB -0.649 29.660 30.300 0.016 0.000 0.861 389 R HN 0.254 nan 8.270 nan 0.000 0.440 390 Y N 1.713 121.998 120.300 -0.026 0.000 2.114 390 Y HA -0.066 4.483 4.550 -0.002 0.000 0.284 390 Y C 1.422 177.319 175.900 -0.006 0.000 1.119 390 Y CA -0.313 57.781 58.100 -0.010 0.000 1.108 390 Y CB -1.039 37.420 38.460 -0.001 0.000 0.995 390 Y HN -0.173 nan 8.280 nan 0.000 0.491 391 V N 1.407 121.423 119.914 0.171 0.000 2.923 391 V HA -0.223 3.896 4.120 -0.002 0.000 0.286 391 V C -0.014 176.105 176.094 0.041 0.000 1.376 391 V CA -0.570 61.779 62.300 0.082 0.000 1.423 391 V CB -0.471 31.387 31.823 0.059 0.000 0.865 391 V HN 0.239 nan 8.190 nan 0.000 0.514 392 K N 3.151 123.563 120.400 0.019 0.000 2.284 392 K HA 0.368 4.687 4.320 -0.002 0.000 0.287 392 K C -0.071 176.531 176.600 0.004 0.000 1.081 392 K CA 0.201 56.490 56.287 0.004 0.000 0.910 392 K CB 0.154 32.650 32.500 -0.007 0.000 1.088 392 K HN 1.073 nan 8.250 nan 0.000 0.478 393 D N 1.456 121.858 120.400 0.003 0.000 6.013 393 D HA -0.167 4.472 4.640 -0.002 0.000 0.242 393 D C 0.262 176.562 176.300 0.001 0.000 1.609 393 D CA 0.436 54.436 54.000 0.000 0.000 1.473 393 D CB 0.290 41.087 40.800 -0.004 0.000 0.711 393 D HN 0.587 nan 8.370 nan 0.000 0.388 394 R N 2.741 123.242 120.500 0.000 0.000 2.276 394 R HA 0.061 4.400 4.340 -0.002 0.000 0.196 394 R C 1.745 178.037 176.300 -0.013 0.000 0.961 394 R CA 0.516 56.615 56.100 -0.002 0.000 1.024 394 R CB 0.159 30.460 30.300 0.002 0.000 0.940 394 R HN 0.340 nan 8.270 nan 0.000 0.480 395 K N 0.402 120.793 120.400 -0.015 0.000 2.504 395 K HA -0.073 4.245 4.320 -0.002 0.000 0.195 395 K C 1.090 177.673 176.600 -0.028 0.000 1.036 395 K CA 0.683 56.956 56.287 -0.023 0.000 0.984 395 K CB 0.279 32.766 32.500 -0.021 0.000 0.788 395 K HN 0.233 nan 8.250 nan 0.000 0.488 396 E N 0.511 120.697 120.200 -0.024 0.000 2.031 396 E HA -0.162 4.186 4.350 -0.002 0.000 0.193 396 E C 1.333 177.907 176.600 -0.044 0.000 0.994 396 E CA 0.962 57.346 56.400 -0.027 0.000 0.800 396 E CB -0.007 29.683 29.700 -0.017 0.000 0.752 396 E HN 0.287 nan 8.360 nan 0.000 0.447 397 L N 0.886 122.078 121.223 -0.052 0.000 2.749 397 L HA -0.031 4.308 4.340 -0.002 0.000 0.245 397 L C 2.173 178.979 176.870 -0.106 0.000 1.156 397 L CA -0.170 54.615 54.840 -0.091 0.000 0.890 397 L CB -0.520 41.483 42.059 -0.092 0.000 1.036 397 L HN 0.139 nan 8.230 nan 0.000 0.441 398 A N 0.567 123.342 122.820 -0.076 0.000 1.902 398 A HA -0.185 4.134 4.320 -0.002 0.000 0.217 398 A C 2.299 179.833 177.584 -0.083 0.000 1.181 398 A CA 1.988 53.980 52.037 -0.075 0.000 0.623 398 A CB -0.365 18.601 19.000 -0.057 0.000 0.818 398 A HN 0.514 nan 8.150 nan 0.000 0.443 399 S N -1.796 113.858 115.700 -0.077 0.000 2.614 399 S HA 0.168 4.636 4.470 -0.002 0.000 0.230 399 S C 0.795 175.340 174.600 -0.092 0.000 0.952 399 S CA 0.572 58.730 58.200 -0.070 0.000 0.949 399 S CB -0.020 63.154 63.200 -0.045 0.000 0.786 399 S HN 0.406 nan 8.310 nan 0.000 0.478 400 T N 1.442 115.900 114.554 -0.161 0.000 2.969 400 T HA 0.358 4.707 4.350 -0.002 0.000 0.250 400 T C 0.445 174.835 174.700 -0.515 0.000 1.021 400 T CA -0.247 61.696 62.100 -0.262 0.000 1.003 400 T CB -0.018 68.674 68.868 -0.293 0.000 1.040 400 T HN 0.323 nan 8.240 nan 0.000 0.492 401 L N 2.250 123.223 121.223 -0.416 0.000 2.410 401 L HA 0.594 4.933 4.340 -0.002 0.000 0.273 401 L C 0.258 177.068 176.870 -0.101 0.000 1.152 401 L CA -0.450 54.165 54.840 -0.375 0.000 0.855 401 L CB 0.464 42.405 42.059 -0.198 0.000 1.129 401 L HN 0.234 nan 8.230 nan 0.000 0.463 402 A N 5.041 127.925 122.820 0.108 0.000 2.557 402 A HA 0.740 5.059 4.320 -0.002 0.000 0.292 402 A C -2.804 174.865 177.584 0.142 0.000 1.139 402 A CA -1.318 50.787 52.037 0.114 0.000 0.665 402 A CB 1.136 20.212 19.000 0.127 0.000 1.285 402 A HN 0.416 nan 8.150 nan 0.000 0.433 403 P HA 0.333 nan 4.420 nan 0.000 0.262 403 P C 0.989 178.301 177.300 0.020 0.000 1.182 403 P CA 2.274 65.375 63.100 0.003 0.000 0.761 403 P CB 0.598 32.270 31.700 -0.047 0.000 0.795 404 G N 1.965 110.764 108.800 -0.001 0.000 2.659 404 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.202 404 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.202 404 G C -0.260 174.587 174.900 -0.088 0.000 1.186 404 G CA -0.606 44.449 45.100 -0.076 0.000 0.783 404 G HN 0.418 nan 8.290 nan 0.000 0.521 405 Y N 0.526 120.826 120.300 -0.001 0.000 2.511 405 Y HA 0.422 4.971 4.550 -0.002 0.000 0.347 405 Y C 0.921 176.833 175.900 0.020 0.000 1.257 405 Y CA 0.814 58.922 58.100 0.014 0.000 1.469 405 Y CB 1.146 39.616 38.460 0.017 0.000 1.353 405 Y HN 0.160 nan 8.280 nan 0.000 0.617 406 V N 2.760 122.795 119.914 0.201 0.000 2.467 406 V HA 0.094 4.213 4.120 -0.002 0.000 0.260 406 V C -0.700 175.479 176.094 0.143 0.000 0.963 406 V CA -0.839 61.540 62.300 0.131 0.000 0.856 406 V CB 0.618 32.489 31.823 0.081 0.000 1.087 406 V HN 0.535 nan 8.190 nan 0.000 0.467 407 V N 3.118 123.121 119.914 0.148 0.000 2.555 407 V HA -0.057 4.062 4.120 -0.002 0.000 0.299 407 V C 1.055 177.236 176.094 0.144 0.000 1.012 407 V CA 0.717 63.106 62.300 0.148 0.000 1.180 407 V CB 0.153 32.063 31.823 0.144 0.000 0.887 407 V HN 0.765 nan 8.190 nan 0.000 0.476 408 E N 5.966 126.269 120.200 0.172 0.000 2.029 408 E HA 0.157 4.506 4.350 -0.002 0.000 0.276 408 E C 0.273 176.981 176.600 0.180 0.000 1.163 408 E CA -0.208 56.298 56.400 0.177 0.000 0.909 408 E CB 0.589 30.439 29.700 0.250 0.000 1.046 408 E HN 0.492 nan 8.360 nan 0.000 0.406 409 R N 3.111 123.682 120.500 0.118 0.000 2.486 409 R HA 0.175 4.514 4.340 -0.002 0.000 0.286 409 R C 0.057 176.414 176.300 0.094 0.000 0.999 409 R CA -0.490 55.651 56.100 0.069 0.000 0.993 409 R CB 0.802 31.083 30.300 -0.031 0.000 1.084 409 R HN 0.573 nan 8.270 nan 0.000 0.487 410 H N 1.907 120.909 119.070 -0.114 0.000 2.913 410 H HA -0.048 4.507 4.556 -0.002 0.000 0.365 410 H C 0.003 175.311 175.328 -0.035 0.000 1.155 410 H CA -0.262 55.773 56.048 -0.022 0.000 1.417 410 H CB 0.696 30.480 29.762 0.036 0.000 1.386 410 H HN 0.240 nan 8.280 nan 0.000 0.614 411 L N 2.495 123.830 121.223 0.187 0.000 2.534 411 L HA -0.035 4.304 4.340 -0.002 0.000 0.271 411 L C 0.824 177.860 176.870 0.277 0.000 1.178 411 L CA 0.684 55.620 54.840 0.162 0.000 0.907 411 L CB 0.190 42.329 42.059 0.133 0.000 1.164 411 L HN 0.642 nan 8.230 nan 0.000 0.482 412 T N -0.690 113.950 114.554 0.143 0.000 2.940 412 T HA 0.359 4.708 4.350 -0.002 0.000 0.288 412 T C -0.227 174.591 174.700 0.197 0.000 1.033 412 T CA -1.154 61.042 62.100 0.159 0.000 1.033 412 T CB 1.111 69.954 68.868 -0.042 0.000 1.079 412 T HN 0.326 nan 8.240 nan 0.000 0.496 413 D N 1.270 121.823 120.400 0.254 0.000 2.433 413 D HA 0.356 4.995 4.640 -0.002 0.000 0.274 413 D C 1.343 177.712 176.300 0.115 0.000 1.344 413 D CA 1.755 55.873 54.000 0.198 0.000 0.989 413 D CB 0.015 40.936 40.800 0.201 0.000 1.116 413 D HN 1.034 nan 8.370 nan 0.000 0.533 414 G N 2.886 111.739 108.800 0.088 0.000 3.033 414 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.208 414 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.208 414 G C 0.119 175.046 174.900 0.046 0.000 1.006 414 G CA -0.662 44.473 45.100 0.059 0.000 0.808 414 G HN 0.445 nan 8.290 nan 0.000 0.499 415 D N 0.785 121.214 120.400 0.049 0.000 2.506 415 D HA 0.358 4.997 4.640 -0.002 0.000 0.234 415 D C 0.588 176.904 176.300 0.026 0.000 1.143 415 D CA 0.504 54.525 54.000 0.034 0.000 0.871 415 D CB 1.647 42.465 40.800 0.030 0.000 1.190 415 D HN 0.110 nan 8.370 nan 0.000 0.459 416 V N 3.127 123.055 119.914 0.023 0.000 2.488 416 V HA 0.289 4.408 4.120 -0.002 0.000 0.277 416 V C 0.128 176.241 176.094 0.031 0.000 1.046 416 V CA -0.172 62.145 62.300 0.028 0.000 0.986 416 V CB 1.188 33.026 31.823 0.024 0.000 0.989 416 V HN 0.248 nan 8.190 nan 0.000 0.475 417 V N 6.213 126.157 119.914 0.049 0.000 2.760 417 V HA 0.423 4.542 4.120 -0.002 0.000 0.309 417 V C -0.613 175.552 176.094 0.117 0.000 1.077 417 V CA -0.829 61.508 62.300 0.062 0.000 0.910 417 V CB 2.152 33.987 31.823 0.019 0.000 1.008 417 V HN 0.579 nan 8.190 nan 0.000 0.424 418 L N 4.405 125.705 121.223 0.128 0.000 2.331 418 L HA 0.432 4.771 4.340 -0.002 0.000 0.278 418 L C -0.614 176.400 176.870 0.240 0.000 1.106 418 L CA 0.539 55.471 54.840 0.153 0.000 0.824 418 L CB 0.372 42.463 42.059 0.054 0.000 1.142 418 L HN 0.518 nan 8.230 nan 0.000 0.443 419 F N 4.456 124.440 119.950 0.058 0.000 2.460 419 F HA 0.432 4.958 4.527 -0.002 0.000 0.341 419 F C -0.007 175.766 175.800 -0.046 0.000 1.130 419 F CA -0.745 57.199 58.000 -0.093 0.000 0.962 419 F CB 1.042 39.870 39.000 -0.286 0.000 1.171 419 F HN 0.549 nan 8.300 nan 0.000 0.436 420 N N 5.452 123.943 118.700 -0.348 0.000 2.258 420 N HA 0.436 5.175 4.740 -0.002 0.000 0.299 420 N C -1.618 173.678 175.510 -0.356 0.000 1.047 420 N CA -0.588 52.339 53.050 -0.205 0.000 0.814 420 N CB 1.960 40.397 38.487 -0.083 0.000 1.413 420 N HN 0.753 nan 8.380 nan 0.000 0.478 421 R N 2.575 122.960 120.500 -0.191 0.000 2.599 421 R HA 0.270 4.609 4.340 -0.002 0.000 0.295 421 R C -0.888 175.404 176.300 -0.013 0.000 0.963 421 R CA -0.498 55.516 56.100 -0.143 0.000 0.883 421 R CB 1.449 31.663 30.300 -0.143 0.000 1.171 421 R HN 0.622 nan 8.270 nan 0.000 0.450 422 Q N 3.744 123.528 119.800 -0.025 0.000 2.235 422 Q HA 0.539 4.878 4.340 -0.002 0.000 0.256 422 Q C -2.373 173.625 176.000 -0.003 0.000 0.951 422 Q CA -2.301 53.502 55.803 0.000 0.000 0.890 422 Q CB 1.616 30.355 28.738 0.000 0.000 1.279 422 Q HN 0.399 nan 8.270 nan 0.000 0.444 423 P HA 0.131 nan 4.420 nan 0.000 0.278 423 P C -0.923 176.393 177.300 0.027 0.000 1.238 423 P CA -0.514 62.594 63.100 0.014 0.000 0.794 423 P CB 0.862 32.567 31.700 0.009 0.000 0.955 424 S N 2.105 117.823 115.700 0.029 0.000 2.955 424 S HA 0.141 4.610 4.470 -0.002 0.000 0.294 424 S C 1.145 175.768 174.600 0.039 0.000 1.198 424 S CA -0.378 57.846 58.200 0.040 0.000 1.008 424 S CB -0.588 62.631 63.200 0.032 0.000 1.279 424 S HN 0.271 nan 8.310 nan 0.000 0.508 425 L N 0.983 122.231 121.223 0.043 0.000 2.127 425 L HA 0.266 4.605 4.340 -0.002 0.000 0.203 425 L C 1.229 178.143 176.870 0.073 0.000 1.080 425 L CA 1.135 55.993 54.840 0.030 0.000 0.768 425 L CB -0.606 41.449 42.059 -0.007 0.000 0.924 425 L HN 0.558 nan 8.230 nan 0.000 0.444 426 H N -0.258 118.801 119.070 -0.019 0.000 2.544 426 H HA 0.240 4.795 4.556 -0.002 0.000 0.342 426 H C 0.899 176.206 175.328 -0.035 0.000 1.185 426 H CA -0.720 55.307 56.048 -0.035 0.000 1.264 426 H CB 1.332 31.061 29.762 -0.054 0.000 1.607 426 H HN 0.016 nan 8.280 nan 0.000 0.550 427 R N 1.689 122.185 120.500 -0.007 0.000 2.148 427 R HA -0.049 4.289 4.340 -0.002 0.000 0.223 427 R C 1.043 177.283 176.300 -0.101 0.000 1.088 427 R CA 0.974 57.039 56.100 -0.058 0.000 0.985 427 R CB -0.051 30.202 30.300 -0.079 0.000 0.880 427 R HN 0.458 nan 8.270 nan 0.000 0.451 428 I N 2.050 122.493 120.570 -0.213 0.000 2.657 428 I HA -0.154 4.015 4.170 -0.002 0.000 0.261 428 I C 1.068 177.076 176.117 -0.181 0.000 1.212 428 I CA 1.083 62.238 61.300 -0.242 0.000 1.453 428 I CB -1.052 36.738 38.000 -0.351 0.000 1.092 428 I HN 0.151 nan 8.210 nan 0.000 0.452 429 S N 0.439 116.117 115.700 -0.037 0.000 2.805 429 S HA 0.073 4.542 4.470 -0.002 0.000 0.230 429 S C 0.858 175.587 174.600 0.215 0.000 0.968 429 S CA 0.367 58.634 58.200 0.111 0.000 0.976 429 S CB -0.488 62.779 63.200 0.111 0.000 0.787 429 S HN 0.428 nan 8.310 nan 0.000 0.533 430 M N 1.354 121.047 119.600 0.155 0.000 2.400 430 M HA 0.318 4.797 4.480 -0.002 0.000 0.192 430 M C -1.907 174.485 176.300 0.153 0.000 0.977 430 M CA 0.067 55.484 55.300 0.195 0.000 0.965 430 M CB 0.667 33.301 32.600 0.057 0.000 2.816 430 M HN 0.080 nan 8.290 nan 0.000 0.413 431 M N 2.231 122.000 119.600 0.283 0.000 2.664 431 M HA 0.810 5.289 4.480 -0.002 0.000 0.314 431 M C 0.260 176.700 176.300 0.233 0.000 1.200 431 M CA -0.746 54.652 55.300 0.163 0.000 0.916 431 M CB 1.980 34.621 32.600 0.068 0.000 1.717 431 M HN 0.613 nan 8.290 nan 0.000 0.470 432 A N 0.600 123.475 122.820 0.091 0.000 2.332 432 A HA 0.526 4.845 4.320 -0.002 0.000 0.258 432 A C -0.705 176.888 177.584 0.015 0.000 1.087 432 A CA -0.073 52.019 52.037 0.092 0.000 0.802 432 A CB 0.294 19.315 19.000 0.035 0.000 1.042 432 A HN 0.835 nan 8.150 nan 0.000 0.489 433 H N 0.485 119.562 119.070 0.012 0.000 3.012 433 H HA 0.333 4.888 4.556 -0.002 0.000 0.367 433 H C -0.780 174.514 175.328 -0.056 0.000 1.211 433 H CA -0.827 55.194 56.048 -0.045 0.000 1.139 433 H CB 1.614 31.272 29.762 -0.174 0.000 1.838 433 H HN 0.611 nan 8.280 nan 0.000 0.550 434 R N 1.849 122.385 120.500 0.059 0.000 2.207 434 R HA 0.222 4.561 4.340 -0.002 0.000 0.334 434 R C -0.412 175.896 176.300 0.013 0.000 1.013 434 R CA -0.817 55.301 56.100 0.029 0.000 0.858 434 R CB 1.060 31.370 30.300 0.017 0.000 1.094 434 R HN 0.228 nan 8.270 nan 0.000 0.457 435 V N 4.473 124.392 119.914 0.007 0.000 2.485 435 V HA 0.033 4.151 4.120 -0.002 0.000 0.287 435 V C 0.882 176.989 176.094 0.022 0.000 1.022 435 V CA 0.129 62.423 62.300 -0.010 0.000 1.067 435 V CB 0.367 32.199 31.823 0.015 0.000 0.967 435 V HN 0.521 nan 8.190 nan 0.000 0.479 436 R N 4.956 125.453 120.500 -0.005 0.000 2.335 436 R HA 0.438 4.777 4.340 -0.002 0.000 0.302 436 R C -1.156 175.136 176.300 -0.013 0.000 1.147 436 R CA -0.356 55.756 56.100 0.021 0.000 1.111 436 R CB 0.976 31.282 30.300 0.010 0.000 1.122 436 R HN 0.505 nan 8.270 nan 0.000 0.557 437 V N 6.674 126.583 119.914 -0.008 0.000 2.529 437 V HA 0.200 4.319 4.120 -0.002 0.000 0.292 437 V C 0.379 176.333 176.094 -0.234 0.000 1.028 437 V CA 0.209 62.388 62.300 -0.202 0.000 1.074 437 V CB 0.034 31.567 31.823 -0.482 0.000 0.958 437 V HN 0.716 nan 8.190 nan 0.000 0.481 438 L N 1.874 122.969 121.223 -0.212 0.000 2.540 438 L HA 0.643 4.982 4.340 -0.002 0.000 0.256 438 L C -0.471 176.318 176.870 -0.136 0.000 1.001 438 L CA -1.322 53.428 54.840 -0.149 0.000 0.843 438 L CB 2.096 44.115 42.059 -0.066 0.000 1.436 438 L HN 0.348 nan 8.230 nan 0.000 0.410 439 K N 0.998 121.338 120.400 -0.100 0.000 2.437 439 K HA 0.470 4.789 4.320 -0.002 0.000 0.277 439 K C 0.101 176.663 176.600 -0.064 0.000 1.073 439 K CA 1.558 57.799 56.287 -0.077 0.000 1.105 439 K CB -0.188 32.285 32.500 -0.045 0.000 0.881 439 K HN 0.976 nan 8.250 nan 0.000 0.475 440 G N 2.244 111.004 108.800 -0.067 0.000 2.369 440 G HA2 -0.010 3.949 3.960 -0.002 0.000 0.307 440 G HA3 -0.010 3.949 3.960 -0.002 0.000 0.307 440 G C -0.515 174.345 174.900 -0.066 0.000 1.327 440 G CA -0.951 44.114 45.100 -0.058 0.000 0.963 440 G HN 0.480 nan 8.290 nan 0.000 0.590 441 L N 0.813 121.994 121.223 -0.071 0.000 3.014 441 L HA 0.331 4.670 4.340 -0.002 0.000 0.263 441 L C 0.941 177.723 176.870 -0.147 0.000 1.207 441 L CA 0.387 55.169 54.840 -0.096 0.000 1.017 441 L CB 0.435 42.439 42.059 -0.091 0.000 1.360 441 L HN 0.779 nan 8.230 nan 0.000 0.560 442 T N -3.604 110.882 114.554 -0.113 0.000 2.908 442 T HA 0.563 4.912 4.350 -0.002 0.000 0.290 442 T C -0.340 174.362 174.700 0.003 0.000 1.034 442 T CA -0.598 61.418 62.100 -0.140 0.000 1.010 442 T CB 1.829 70.663 68.868 -0.055 0.000 1.068 442 T HN -0.235 nan 8.240 nan 0.000 0.481 443 F N 1.953 121.937 119.950 0.058 0.000 2.484 443 F HA 0.453 4.979 4.527 -0.002 0.000 0.360 443 F C 1.123 176.962 175.800 0.066 0.000 1.101 443 F CA -1.082 56.972 58.000 0.090 0.000 1.251 443 F CB 0.313 39.503 39.000 0.317 0.000 1.132 443 F HN 0.270 nan 8.300 nan 0.000 0.570 444 R N 3.619 124.222 120.500 0.172 0.000 2.338 444 R HA 0.550 4.888 4.340 -0.002 0.000 0.317 444 R C -1.257 175.066 176.300 0.039 0.000 0.968 444 R CA -1.022 55.122 56.100 0.074 0.000 0.849 444 R CB 1.540 31.845 30.300 0.008 0.000 1.128 444 R HN 0.577 nan 8.270 nan 0.000 0.448 445 L N 2.750 124.059 121.223 0.143 0.000 2.343 445 L HA 0.359 4.698 4.340 -0.002 0.000 0.278 445 L C 0.029 177.018 176.870 0.199 0.000 0.996 445 L CA -0.364 54.599 54.840 0.205 0.000 0.831 445 L CB 1.405 43.701 42.059 0.395 0.000 1.232 445 L HN 0.524 nan 8.230 nan 0.000 0.413 446 N N 4.065 122.859 118.700 0.156 0.000 2.356 446 N HA -0.054 4.685 4.740 -0.002 0.000 0.252 446 N C 0.921 176.533 175.510 0.170 0.000 1.241 446 N CA 0.373 53.498 53.050 0.123 0.000 0.861 446 N CB 0.810 39.343 38.487 0.077 0.000 1.075 446 N HN 0.832 nan 8.380 nan 0.000 0.461 447 L N 3.698 125.020 121.223 0.165 0.000 2.275 447 L HA -0.121 4.217 4.340 -0.002 0.000 0.215 447 L C 2.108 179.052 176.870 0.125 0.000 1.119 447 L CA 0.639 55.619 54.840 0.233 0.000 0.790 447 L CB -0.054 42.187 42.059 0.303 0.000 0.919 447 L HN 0.608 nan 8.230 nan 0.000 0.443 448 L N -1.249 119.950 121.223 -0.039 0.000 2.156 448 L HA -0.079 4.260 4.340 -0.002 0.000 0.208 448 L C 1.371 178.196 176.870 -0.076 0.000 1.095 448 L CA 0.399 55.119 54.840 -0.199 0.000 0.770 448 L CB -0.299 41.508 42.059 -0.419 0.000 0.914 448 L HN 0.028 nan 8.230 nan 0.000 0.439 449 V N -1.553 118.383 119.914 0.035 0.000 3.140 449 V HA 0.014 4.133 4.120 -0.002 0.000 0.379 449 V C 1.351 177.572 176.094 0.212 0.000 1.296 449 V CA 0.043 62.403 62.300 0.099 0.000 1.351 449 V CB -0.517 31.423 31.823 0.194 0.000 1.311 449 V HN 0.434 nan 8.190 nan 0.000 0.508 450 C N 0.542 119.930 119.300 0.147 0.000 2.541 450 C HA 0.114 4.573 4.460 -0.002 0.000 0.284 450 C C 0.455 175.499 174.990 0.091 0.000 1.341 450 C CA 0.747 59.862 59.018 0.161 0.000 1.732 450 C CB -0.684 27.122 27.740 0.111 0.000 2.126 450 C HN 0.476 nan 8.230 nan 0.000 0.505 451 P HA -0.079 nan 4.420 nan 0.000 0.217 451 P C -1.642 175.641 177.300 -0.029 0.000 1.148 451 P CA 2.022 65.119 63.100 -0.005 0.000 0.828 451 P CB -1.059 30.627 31.700 -0.024 0.000 0.783 452 P HA -0.155 nan 4.420 nan 0.000 0.215 452 P C 1.058 178.230 177.300 -0.213 0.000 1.157 452 P CA 1.507 64.472 63.100 -0.225 0.000 0.868 452 P CB -0.517 30.908 31.700 -0.458 0.000 0.788 453 Y N -2.348 117.969 120.300 0.028 0.000 2.523 453 Y HA 0.162 4.711 4.550 -0.002 0.000 0.279 453 Y C 0.654 176.541 175.900 -0.022 0.000 1.139 453 Y CA -0.044 58.061 58.100 0.008 0.000 1.296 453 Y CB -1.008 37.456 38.460 0.007 0.000 1.045 453 Y HN -0.082 nan 8.280 nan 0.000 0.538 454 N N 0.656 119.414 118.700 0.098 0.000 2.648 454 N HA -0.181 4.558 4.740 -0.002 0.000 0.265 454 N C -1.084 174.415 175.510 -0.019 0.000 1.100 454 N CA 0.620 53.685 53.050 0.026 0.000 0.715 454 N CB -0.954 37.539 38.487 0.009 0.000 0.881 454 N HN 0.360 nan 8.380 nan 0.000 0.548 455 A N 1.863 124.643 122.820 -0.067 0.000 2.319 455 A HA 0.557 4.876 4.320 -0.002 0.000 0.310 455 A C -0.207 177.138 177.584 -0.398 0.000 1.152 455 A CA -0.330 51.576 52.037 -0.217 0.000 0.783 455 A CB 0.709 19.565 19.000 -0.240 0.000 1.184 455 A HN 0.597 nan 8.150 nan 0.000 0.474 456 D N -0.051 120.143 120.400 -0.344 0.000 2.348 456 D HA 0.489 5.128 4.640 -0.002 0.000 0.249 456 D C -0.833 175.153 176.300 -0.523 0.000 1.110 456 D CA -0.387 53.413 54.000 -0.334 0.000 0.967 456 D CB 0.402 41.124 40.800 -0.130 0.000 1.139 456 D HN 0.236 nan 8.370 nan 0.000 0.466 457 F N 0.254 120.214 119.950 0.018 0.000 2.366 457 F HA 0.236 4.762 4.527 -0.002 0.000 0.328 457 F C -0.084 175.716 175.800 0.000 0.000 1.180 457 F CA -0.759 57.248 58.000 0.012 0.000 1.232 457 F CB 0.398 39.409 39.000 0.018 0.000 1.513 457 F HN 0.383 nan 8.300 nan 0.000 0.540 458 D N -1.286 119.163 120.400 0.081 0.000 2.582 458 D HA 0.321 4.960 4.640 -0.002 0.000 0.246 458 D C 1.111 177.424 176.300 0.022 0.000 1.334 458 D CA -0.136 53.893 54.000 0.048 0.000 0.805 458 D CB 0.505 41.315 40.800 0.016 0.000 1.087 458 D HN 0.383 nan 8.370 nan 0.000 0.499 459 G N 0.269 109.084 108.800 0.026 0.000 2.189 459 G HA2 -0.130 3.829 3.960 -0.002 0.000 0.113 459 G HA3 -0.130 3.829 3.960 -0.002 0.000 0.113 459 G C -0.914 173.976 174.900 -0.016 0.000 1.038 459 G CA -0.651 44.450 45.100 0.002 0.000 0.704 459 G HN 0.233 nan 8.290 nan 0.000 0.490 460 D N 0.796 121.186 120.400 -0.017 0.000 2.225 460 D HA 0.590 5.229 4.640 -0.002 0.000 0.249 460 D C 0.430 176.709 176.300 -0.036 0.000 1.052 460 D CA 0.236 54.210 54.000 -0.044 0.000 0.909 460 D CB 1.091 41.838 40.800 -0.088 0.000 1.186 460 D HN 0.445 nan 8.370 nan 0.000 0.431 461 E N 1.016 121.184 120.200 -0.052 0.000 2.248 461 E HA 0.516 4.865 4.350 -0.002 0.000 0.267 461 E C -0.534 176.025 176.600 -0.069 0.000 0.877 461 E CA -0.674 55.692 56.400 -0.057 0.000 0.759 461 E CB 2.339 32.001 29.700 -0.063 0.000 1.182 461 E HN 0.263 nan 8.360 nan 0.000 0.418 462 M N 1.704 121.273 119.600 -0.052 0.000 2.591 462 M HA 0.400 4.879 4.480 -0.002 0.000 0.306 462 M C -0.756 175.507 176.300 -0.061 0.000 1.190 462 M CA -1.113 54.081 55.300 -0.178 0.000 0.889 462 M CB 1.859 34.178 32.600 -0.468 0.000 1.728 462 M HN 0.342 nan 8.290 nan 0.000 0.458 463 N N 1.824 120.413 118.700 -0.186 0.000 2.515 463 N HA 0.495 5.234 4.740 -0.002 0.000 0.279 463 N C -1.363 174.099 175.510 -0.080 0.000 1.164 463 N CA -0.370 52.670 53.050 -0.017 0.000 0.982 463 N CB 1.058 39.607 38.487 0.103 0.000 1.170 463 N HN 0.420 nan 8.380 nan 0.000 0.474 464 L N 2.698 123.974 121.223 0.088 0.000 2.514 464 L HA 0.258 4.597 4.340 -0.002 0.000 0.257 464 L C -0.885 176.065 176.870 0.134 0.000 1.101 464 L CA -0.305 54.570 54.840 0.059 0.000 0.911 464 L CB -0.412 41.507 42.059 -0.234 0.000 1.162 464 L HN 0.664 nan 8.230 nan 0.000 0.477 465 H N 2.301 121.397 119.070 0.043 0.000 2.551 465 H HA 0.468 5.023 4.556 -0.002 0.000 0.358 465 H C -0.544 174.820 175.328 0.060 0.000 1.151 465 H CA -0.674 55.415 56.048 0.068 0.000 1.374 465 H CB 2.532 32.331 29.762 0.061 0.000 1.473 465 H HN 0.230 nan 8.280 nan 0.000 0.574 466 V N 5.014 125.035 119.914 0.179 0.000 2.325 466 V HA 0.147 4.266 4.120 -0.002 0.000 0.280 466 V C -2.075 174.008 176.094 -0.019 0.000 1.016 466 V CA -1.687 60.650 62.300 0.061 0.000 0.818 466 V CB 1.121 32.955 31.823 0.019 0.000 1.019 466 V HN 0.634 nan 8.190 nan 0.000 0.434 467 P HA 0.189 nan 4.420 nan 0.000 0.271 467 P C -0.196 177.027 177.300 -0.129 0.000 1.216 467 P CA -0.003 63.073 63.100 -0.040 0.000 0.771 467 P CB 1.535 33.232 31.700 -0.006 0.000 0.864 468 Q N 0.936 120.636 119.800 -0.166 0.000 2.388 468 Q HA 0.042 4.381 4.340 -0.002 0.000 0.204 468 Q C 0.910 176.843 176.000 -0.111 0.000 0.946 468 Q CA 0.757 56.425 55.803 -0.226 0.000 0.880 468 Q CB -0.899 27.650 28.738 -0.314 0.000 0.997 468 Q HN 0.650 nan 8.270 nan 0.000 0.552 469 S N 2.053 117.714 115.700 -0.065 0.000 2.563 469 S HA -0.003 4.466 4.470 -0.002 0.000 0.284 469 S C 1.114 175.702 174.600 -0.020 0.000 1.331 469 S CA -0.240 57.942 58.200 -0.031 0.000 1.047 469 S CB 0.818 64.009 63.200 -0.014 0.000 0.859 469 S HN 0.150 nan 8.310 nan 0.000 0.514 470 E N 2.606 122.802 120.200 -0.006 0.000 2.077 470 E HA -0.204 4.145 4.350 -0.002 0.000 0.193 470 E C 1.704 178.307 176.600 0.006 0.000 0.989 470 E CA 1.484 57.887 56.400 0.006 0.000 0.800 470 E CB -0.487 29.224 29.700 0.018 0.000 0.746 470 E HN 0.890 nan 8.360 nan 0.000 0.452 471 E N 1.157 121.360 120.200 0.004 0.000 2.051 471 E HA -0.131 4.218 4.350 -0.002 0.000 0.192 471 E C 2.161 178.761 176.600 0.000 0.000 0.991 471 E CA 1.078 57.480 56.400 0.004 0.000 0.799 471 E CB -0.164 29.538 29.700 0.003 0.000 0.748 471 E HN 0.275 nan 8.360 nan 0.000 0.449 472 A N 1.238 124.055 122.820 -0.004 0.000 1.902 472 A HA -0.178 4.141 4.320 -0.002 0.000 0.217 472 A C 2.178 179.759 177.584 -0.004 0.000 1.181 472 A CA 1.132 53.166 52.037 -0.005 0.000 0.623 472 A CB -0.593 18.403 19.000 -0.007 0.000 0.818 472 A HN 0.139 nan 8.150 nan 0.000 0.443 473 I N -0.429 120.137 120.570 -0.007 0.000 2.252 473 I HA -0.258 3.911 4.170 -0.002 0.000 0.245 473 I C 2.940 179.060 176.117 0.005 0.000 1.102 473 I CA 1.064 62.362 61.300 -0.003 0.000 1.385 473 I CB -0.289 37.709 38.000 -0.005 0.000 1.064 473 I HN 0.364 nan 8.210 nan 0.000 0.414 474 A N 0.039 122.862 122.820 0.006 0.000 1.929 474 A HA -0.228 4.091 4.320 -0.002 0.000 0.216 474 A C 2.290 179.876 177.584 0.003 0.000 1.176 474 A CA 1.561 53.602 52.037 0.008 0.000 0.628 474 A CB -0.549 18.457 19.000 0.010 0.000 0.816 474 A HN 0.460 nan 8.150 nan 0.000 0.444 475 E N -0.295 119.905 120.200 -0.000 0.000 2.268 475 E HA -0.049 4.299 4.350 -0.002 0.000 0.195 475 E C 1.840 178.435 176.600 -0.009 0.000 0.995 475 E CA 0.778 57.174 56.400 -0.006 0.000 0.836 475 E CB -0.135 29.560 29.700 -0.008 0.000 0.763 475 E HN 0.565 nan 8.360 nan 0.000 0.491 476 A N 0.712 123.530 122.820 -0.003 0.000 2.030 476 A HA -0.015 4.304 4.320 -0.002 0.000 0.215 476 A C 1.967 179.552 177.584 0.001 0.000 1.164 476 A CA 0.556 52.591 52.037 -0.002 0.000 0.697 476 A CB -0.117 18.886 19.000 0.006 0.000 0.827 476 A HN 0.073 nan 8.150 nan 0.000 0.457 477 K N -0.315 120.089 120.400 0.007 0.000 2.097 477 K HA -0.190 4.129 4.320 -0.002 0.000 0.206 477 K C 1.855 178.462 176.600 0.012 0.000 1.049 477 K CA 1.703 58.000 56.287 0.015 0.000 0.933 477 K CB 0.002 32.514 32.500 0.020 0.000 0.717 477 K HN 0.385 nan 8.250 nan 0.000 0.442 478 E N 0.178 120.377 120.200 -0.001 0.000 2.250 478 E HA 0.017 4.365 4.350 -0.002 0.000 0.192 478 E C 1.376 177.956 176.600 -0.033 0.000 0.986 478 E CA 0.767 57.161 56.400 -0.010 0.000 0.849 478 E CB 0.271 29.963 29.700 -0.012 0.000 0.797 478 E HN 0.374 nan 8.360 nan 0.000 0.482 479 I N -0.986 119.562 120.570 -0.037 0.000 4.070 479 I HA 0.153 4.322 4.170 -0.002 0.000 0.328 479 I C 1.515 177.596 176.117 -0.060 0.000 1.298 479 I CA 0.280 61.549 61.300 -0.052 0.000 1.173 479 I CB 0.304 38.274 38.000 -0.049 0.000 1.051 479 I HN 0.012 nan 8.210 nan 0.000 0.409 480 M N -0.059 119.512 119.600 -0.049 0.000 2.289 480 M HA 0.283 4.762 4.480 -0.002 0.000 0.335 480 M C 0.462 176.731 176.300 -0.053 0.000 0.961 480 M CA -0.126 55.146 55.300 -0.047 0.000 1.018 480 M CB 1.293 33.881 32.600 -0.019 0.000 1.678 480 M HN 0.039 nan 8.290 nan 0.000 0.589 481 L N 0.314 121.508 121.223 -0.049 0.000 2.489 481 L HA -0.080 4.259 4.340 -0.002 0.000 0.285 481 L C 1.554 178.365 176.870 -0.099 0.000 1.259 481 L CA -0.131 54.687 54.840 -0.038 0.000 0.828 481 L CB 0.598 42.700 42.059 0.072 0.000 1.094 481 L HN 0.012 nan 8.230 nan 0.000 0.524 482 V N 0.363 120.211 119.914 -0.111 0.000 2.283 482 V HA -0.235 3.884 4.120 -0.002 0.000 0.243 482 V C 2.348 178.386 176.094 -0.094 0.000 1.039 482 V CA 1.759 63.972 62.300 -0.145 0.000 1.016 482 V CB -1.040 30.657 31.823 -0.211 0.000 0.650 482 V HN 0.963 nan 8.190 nan 0.000 0.449 483 H N 0.999 120.009 119.070 -0.101 0.000 2.489 483 H HA -0.141 4.414 4.556 -0.002 0.000 0.295 483 H C 1.861 177.160 175.328 -0.048 0.000 1.082 483 H CA 1.794 57.801 56.048 -0.067 0.000 1.295 483 H CB -0.117 29.620 29.762 -0.040 0.000 1.380 483 H HN 0.398 nan 8.280 nan 0.000 0.548 484 K N 0.263 120.271 120.400 -0.653 0.000 2.393 484 K HA 0.068 4.387 4.320 -0.002 0.000 0.193 484 K C 0.475 176.930 176.600 -0.240 0.000 1.026 484 K CA -0.017 55.948 56.287 -0.537 0.000 1.064 484 K CB 0.415 32.606 32.500 -0.516 0.000 0.833 484 K HN 0.278 nan 8.250 nan 0.000 0.521 485 N N 0.786 119.367 118.700 -0.199 0.000 2.416 485 N HA 0.132 4.871 4.740 -0.002 0.000 0.267 485 N C 0.625 176.035 175.510 -0.167 0.000 1.294 485 N CA 0.068 53.022 53.050 -0.160 0.000 0.891 485 N CB 0.711 39.098 38.487 -0.166 0.000 1.238 485 N HN 0.111 nan 8.380 nan 0.000 0.508 486 I N 0.835 121.318 120.570 -0.145 0.000 2.353 486 I HA -0.068 4.100 4.170 -0.002 0.000 0.248 486 I C 1.185 177.189 176.117 -0.188 0.000 1.119 486 I CA 0.900 62.109 61.300 -0.151 0.000 1.417 486 I CB 0.051 37.983 38.000 -0.114 0.000 1.078 486 I HN 0.142 nan 8.210 nan 0.000 0.421 487 I N -0.717 119.748 120.570 -0.176 0.000 2.472 487 I HA 0.274 4.443 4.170 -0.002 0.000 0.290 487 I C 0.385 176.332 176.117 -0.282 0.000 1.016 487 I CA -0.339 60.813 61.300 -0.248 0.000 1.348 487 I CB 1.114 39.010 38.000 -0.174 0.000 1.417 487 I HN -0.079 nan 8.210 nan 0.000 0.521 488 T N 3.021 117.325 114.554 -0.417 0.000 2.895 488 T HA 0.509 4.858 4.350 -0.002 0.000 0.283 488 T C -2.065 172.352 174.700 -0.471 0.000 1.014 488 T CA -1.992 59.834 62.100 -0.455 0.000 1.037 488 T CB 1.974 70.519 68.868 -0.538 0.000 1.006 488 T HN 0.468 nan 8.240 nan 0.000 0.468 489 P HA 0.116 nan 4.420 nan 0.000 0.225 489 P C 1.495 178.619 177.300 -0.293 0.000 1.156 489 P CA 0.226 63.113 63.100 -0.354 0.000 0.787 489 P CB 0.123 31.695 31.700 -0.213 0.000 0.802 490 R N -0.240 120.175 120.500 -0.142 0.000 2.115 490 R HA -0.066 4.273 4.340 -0.002 0.000 0.226 490 R C -0.009 176.318 176.300 0.045 0.000 1.100 490 R CA 1.240 57.355 56.100 0.025 0.000 0.980 490 R CB 0.031 30.459 30.300 0.213 0.000 0.875 490 R HN 0.254 nan 8.270 nan 0.000 0.445 491 Y N -4.721 115.509 120.300 -0.116 0.000 2.565 491 Y HA 0.471 5.020 4.550 -0.002 0.000 0.330 491 Y C -0.422 175.313 175.900 -0.274 0.000 1.150 491 Y CA -1.272 56.736 58.100 -0.154 0.000 1.055 491 Y CB 0.571 38.989 38.460 -0.070 0.000 1.337 491 Y HN -0.060 nan 8.280 nan 0.000 0.457 492 G N 1.036 109.624 108.800 -0.352 0.000 2.690 492 G HA2 0.481 4.440 3.960 -0.002 0.000 0.294 492 G HA3 0.481 4.440 3.960 -0.002 0.000 0.294 492 G C -0.138 174.472 174.900 -0.484 0.000 0.793 492 G CA 0.261 45.120 45.100 -0.402 0.000 1.818 492 G HN 1.229 nan 8.290 nan 0.000 0.515 493 G N 2.157 110.604 108.800 -0.589 0.000 2.704 493 G HA2 0.719 4.678 3.960 -0.002 0.000 0.293 493 G HA3 0.719 4.678 3.960 -0.002 0.000 0.293 493 G C -3.323 171.257 174.900 -0.533 0.000 1.421 493 G CA -1.181 43.586 45.100 -0.554 0.000 0.870 493 G HN 0.161 nan 8.290 nan 0.000 0.492 494 P HA 0.279 nan 4.420 nan 0.000 0.287 494 P C 0.496 177.683 177.300 -0.188 0.000 1.307 494 P CA -0.350 62.566 63.100 -0.306 0.000 0.777 494 P CB 2.051 33.600 31.700 -0.251 0.000 0.883 495 I N 3.335 123.794 120.570 -0.184 0.000 3.419 495 I HA 0.136 4.305 4.170 -0.002 0.000 0.286 495 I C 0.481 176.526 176.117 -0.120 0.000 1.268 495 I CA 0.065 61.295 61.300 -0.116 0.000 1.414 495 I CB 0.288 38.217 38.000 -0.119 0.000 1.074 495 I HN 0.215 nan 8.210 nan 0.000 0.457 496 I N 1.280 121.760 120.570 -0.150 0.000 2.312 496 I HA 0.447 4.616 4.170 -0.002 0.000 0.290 496 I C 0.453 176.449 176.117 -0.202 0.000 1.008 496 I CA -0.262 60.941 61.300 -0.162 0.000 1.226 496 I CB 0.983 38.885 38.000 -0.163 0.000 1.371 496 I HN 0.069 nan 8.210 nan 0.000 0.468 497 G N 3.978 112.645 108.800 -0.222 0.000 2.749 497 G HA2 0.720 4.679 3.960 -0.002 0.000 0.300 497 G HA3 0.720 4.679 3.960 -0.002 0.000 0.300 497 G C -1.582 173.112 174.900 -0.343 0.000 1.352 497 G CA -0.664 44.276 45.100 -0.268 0.000 0.789 497 G HN 0.653 nan 8.290 nan 0.000 0.509 498 A N -0.557 122.089 122.820 -0.291 0.000 2.366 498 A HA 0.696 5.015 4.320 -0.002 0.000 0.272 498 A C 1.146 178.741 177.584 0.019 0.000 1.135 498 A CA 0.782 52.688 52.037 -0.218 0.000 0.804 498 A CB 0.756 19.749 19.000 -0.013 0.000 1.064 498 A HN 1.772 nan 8.150 nan 0.000 0.499 499 A N 1.747 124.678 122.820 0.184 0.000 1.903 499 A HA 0.146 4.464 4.320 -0.002 0.000 0.217 499 A C 1.700 179.364 177.584 0.133 0.000 1.387 499 A CA 1.496 53.628 52.037 0.159 0.000 0.604 499 A CB -0.340 18.781 19.000 0.201 0.000 1.043 499 A HN 0.974 nan 8.150 nan 0.000 0.481 500 Q N -3.397 116.485 119.800 0.138 0.000 2.486 500 Q HA 0.083 4.422 4.340 -0.002 0.000 0.204 500 Q C 0.763 176.748 176.000 -0.025 0.000 0.736 500 Q CA 0.491 56.323 55.803 0.047 0.000 0.933 500 Q CB -0.127 28.637 28.738 0.042 0.000 1.308 500 Q HN 0.290 nan 8.270 nan 0.000 0.469 501 D N 0.692 121.035 120.400 -0.095 0.000 2.219 501 D HA -0.031 4.608 4.640 -0.002 0.000 0.205 501 D C 1.258 177.445 176.300 -0.189 0.000 0.970 501 D CA 1.114 54.994 54.000 -0.201 0.000 0.851 501 D CB 0.004 40.639 40.800 -0.276 0.000 0.943 501 D HN 0.257 nan 8.370 nan 0.000 0.488 502 Y N 0.641 120.969 120.300 0.045 0.000 2.084 502 Y HA -0.104 4.445 4.550 -0.002 0.000 0.279 502 Y C 2.430 178.301 175.900 -0.048 0.000 1.119 502 Y CA 0.415 58.585 58.100 0.116 0.000 1.101 502 Y CB -0.653 37.943 38.460 0.227 0.000 0.989 502 Y HN -0.101 nan 8.280 nan 0.000 0.484 503 I N -0.414 120.239 120.570 0.138 0.000 2.182 503 I HA -0.420 3.749 4.170 -0.002 0.000 0.248 503 I C 2.557 178.635 176.117 -0.065 0.000 1.073 503 I CA 2.157 63.459 61.300 0.004 0.000 1.335 503 I CB -1.517 36.488 38.000 0.009 0.000 1.031 503 I HN 0.274 nan 8.210 nan 0.000 0.420 504 S N 0.468 116.091 115.700 -0.128 0.000 2.355 504 S HA -0.074 4.395 4.470 -0.002 0.000 0.222 504 S C 2.086 176.579 174.600 -0.180 0.000 1.031 504 S CA 1.494 59.533 58.200 -0.268 0.000 0.993 504 S CB -0.481 62.351 63.200 -0.613 0.000 0.859 504 S HN 0.552 nan 8.310 nan 0.000 0.453 505 G N 0.360 109.079 108.800 -0.135 0.000 2.403 505 G HA2 0.082 4.041 3.960 -0.002 0.000 0.216 505 G HA3 0.082 4.041 3.960 -0.002 0.000 0.216 505 G C 1.545 176.451 174.900 0.011 0.000 1.154 505 G CA 0.737 45.856 45.100 0.031 0.000 0.784 505 G HN 0.638 nan 8.290 nan 0.000 0.538 506 A N -0.367 122.232 122.820 -0.370 0.000 2.119 506 A HA 0.092 4.411 4.320 -0.002 0.000 0.217 506 A C 2.027 179.501 177.584 -0.183 0.000 1.153 506 A CA 1.332 52.931 52.037 -0.730 0.000 0.692 506 A CB -0.438 17.531 19.000 -1.718 0.000 0.799 506 A HN 0.508 nan 8.150 nan 0.000 0.458 507 Y N 0.182 120.399 120.300 -0.138 0.000 2.243 507 Y HA 0.028 4.577 4.550 -0.002 0.000 0.293 507 Y C 1.719 177.643 175.900 0.040 0.000 1.124 507 Y CA 1.452 59.536 58.100 -0.028 0.000 1.159 507 Y CB -0.172 38.274 38.460 -0.024 0.000 1.008 507 Y HN 0.173 nan 8.280 nan 0.000 0.527 508 L N -0.200 121.133 121.223 0.183 0.000 2.353 508 L HA -0.164 4.175 4.340 -0.002 0.000 0.220 508 L C 1.971 179.009 176.870 0.280 0.000 1.133 508 L CA 0.583 55.585 54.840 0.270 0.000 0.798 508 L CB -0.369 41.930 42.059 0.399 0.000 0.922 508 L HN 0.348 nan 8.230 nan 0.000 0.445 509 L N -0.589 120.647 121.223 0.023 0.000 2.185 509 L HA 0.016 4.355 4.340 -0.002 0.000 0.198 509 L C 1.850 178.564 176.870 -0.261 0.000 1.079 509 L CA 1.342 55.975 54.840 -0.344 0.000 0.780 509 L CB -0.304 41.545 42.059 -0.350 0.000 0.955 509 L HN 0.216 nan 8.230 nan 0.000 0.462 510 T N -0.139 114.279 114.554 -0.226 0.000 4.309 510 T HA 0.459 4.808 4.350 -0.002 0.000 0.242 510 T C -0.225 174.332 174.700 -0.240 0.000 1.142 510 T CA -0.017 61.936 62.100 -0.245 0.000 1.042 510 T CB -1.402 67.269 68.868 -0.329 0.000 1.366 510 T HN 0.164 nan 8.240 nan 0.000 0.942 511 V N -1.468 118.323 119.914 -0.206 0.000 3.040 511 V HA 0.536 4.655 4.120 -0.002 0.000 0.312 511 V C 1.015 177.059 176.094 -0.084 0.000 1.115 511 V CA -1.589 60.609 62.300 -0.170 0.000 0.998 511 V CB 1.950 33.630 31.823 -0.238 0.000 1.042 511 V HN 0.230 nan 8.190 nan 0.000 0.433 512 K N 0.322 120.697 120.400 -0.042 0.000 2.103 512 K HA -0.060 4.258 4.320 -0.002 0.000 0.207 512 K C 0.877 177.466 176.600 -0.018 0.000 1.048 512 K CA 1.867 58.142 56.287 -0.020 0.000 0.930 512 K CB -0.389 32.114 32.500 0.005 0.000 0.716 512 K HN 0.831 nan 8.250 nan 0.000 0.444 513 T N 2.069 116.619 114.554 -0.007 0.000 4.058 513 T HA 0.102 4.451 4.350 -0.002 0.000 0.252 513 T C -0.494 174.215 174.700 0.015 0.000 1.264 513 T CA 0.091 62.191 62.100 0.000 0.000 1.094 513 T CB -0.018 68.862 68.868 0.021 0.000 1.316 513 T HN 0.005 nan 8.240 nan 0.000 0.872 514 T N 2.777 117.331 114.554 0.001 0.000 3.170 514 T HA 0.452 4.801 4.350 -0.002 0.000 0.315 514 T C -1.072 173.638 174.700 0.017 0.000 0.967 514 T CA -0.591 61.532 62.100 0.038 0.000 1.024 514 T CB 1.019 69.897 68.868 0.017 0.000 1.018 514 T HN 0.076 nan 8.240 nan 0.000 0.449 515 L N 3.837 125.067 121.223 0.012 0.000 2.356 515 L HA 0.676 5.015 4.340 -0.002 0.000 0.277 515 L C -1.015 175.965 176.870 0.183 0.000 0.996 515 L CA -0.527 54.314 54.840 0.001 0.000 0.822 515 L CB 1.586 43.413 42.059 -0.387 0.000 1.256 515 L HN 0.487 nan 8.230 nan 0.000 0.413 516 L N 2.389 123.808 121.223 0.327 0.000 2.322 516 L HA 0.604 4.943 4.340 -0.002 0.000 0.281 516 L C 0.538 177.679 176.870 0.451 0.000 1.014 516 L CA -0.133 54.922 54.840 0.358 0.000 0.815 516 L CB 1.830 44.043 42.059 0.256 0.000 1.247 516 L HN 0.558 nan 8.230 nan 0.000 0.421 517 T N 1.129 115.890 114.554 0.346 0.000 2.856 517 T HA 0.037 4.386 4.350 -0.002 0.000 0.306 517 T C 1.305 176.140 174.700 0.225 0.000 1.062 517 T CA -0.387 61.833 62.100 0.200 0.000 1.083 517 T CB 0.510 69.463 68.868 0.141 0.000 0.984 517 T HN 0.493 nan 8.240 nan 0.000 0.542 518 K N 0.751 121.247 120.400 0.161 0.000 2.286 518 K HA -0.141 4.178 4.320 -0.002 0.000 0.203 518 K C 1.924 178.620 176.600 0.160 0.000 1.045 518 K CA 1.401 57.857 56.287 0.283 0.000 0.935 518 K CB 0.084 32.664 32.500 0.133 0.000 0.737 518 K HN 0.614 nan 8.250 nan 0.000 0.460 519 E N -0.088 120.174 120.200 0.103 0.000 2.340 519 E HA -0.024 4.325 4.350 -0.002 0.000 0.198 519 E C 1.489 178.130 176.600 0.068 0.000 0.961 519 E CA 0.083 56.523 56.400 0.067 0.000 0.905 519 E CB 0.354 30.087 29.700 0.054 0.000 0.884 519 E HN 0.297 nan 8.360 nan 0.000 0.491 520 E N 1.268 121.529 120.200 0.101 0.000 2.106 520 E HA -0.155 4.194 4.350 -0.002 0.000 0.192 520 E C 2.066 178.723 176.600 0.095 0.000 0.984 520 E CA 0.898 57.369 56.400 0.119 0.000 0.806 520 E CB -0.027 29.776 29.700 0.171 0.000 0.750 520 E HN 0.161 nan 8.360 nan 0.000 0.458 521 A N 1.386 124.237 122.820 0.052 0.000 1.858 521 A HA -0.256 4.063 4.320 -0.002 0.000 0.216 521 A C 2.061 179.589 177.584 -0.095 0.000 1.190 521 A CA 1.431 53.424 52.037 -0.074 0.000 0.617 521 A CB -0.508 18.289 19.000 -0.339 0.000 0.827 521 A HN 0.169 nan 8.150 nan 0.000 0.443 522 Q N -1.086 118.659 119.800 -0.092 0.000 2.226 522 Q HA -0.217 4.122 4.340 -0.002 0.000 0.204 522 Q C 2.220 178.217 176.000 -0.005 0.000 0.975 522 Q CA 1.436 57.202 55.803 -0.061 0.000 0.866 522 Q CB -0.132 28.581 28.738 -0.042 0.000 0.915 522 Q HN 0.822 nan 8.270 nan 0.000 0.440 523 Q N 0.442 120.256 119.800 0.023 0.000 2.224 523 Q HA -0.122 4.217 4.340 -0.002 0.000 0.203 523 Q C 1.847 177.882 176.000 0.058 0.000 0.970 523 Q CA 0.748 56.578 55.803 0.044 0.000 0.865 523 Q CB 0.153 28.926 28.738 0.059 0.000 0.922 523 Q HN 0.418 nan 8.270 nan 0.000 0.445 524 I N 0.035 120.646 120.570 0.068 0.000 2.162 524 I HA -0.241 3.927 4.170 -0.002 0.000 0.238 524 I C 1.687 177.844 176.117 0.067 0.000 1.076 524 I CA 0.517 61.871 61.300 0.090 0.000 1.353 524 I CB -0.202 37.867 38.000 0.116 0.000 1.063 524 I HN 0.232 nan 8.210 nan 0.000 0.408 525 L N 1.228 122.477 121.223 0.044 0.000 2.447 525 L HA -0.115 4.224 4.340 -0.002 0.000 0.225 525 L C 2.531 179.434 176.870 0.055 0.000 1.148 525 L CA 1.544 56.417 54.840 0.055 0.000 0.808 525 L CB -2.220 39.839 42.059 -0.000 0.000 0.928 525 L HN 0.323 nan 8.230 nan 0.000 0.448 526 G N -0.245 108.580 108.800 0.043 0.000 2.440 526 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.218 526 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.218 526 G C 1.558 176.486 174.900 0.048 0.000 1.154 526 G CA 1.043 46.168 45.100 0.041 0.000 0.767 526 G HN 0.349 nan 8.290 nan 0.000 0.552 527 V N 0.623 120.565 119.914 0.048 0.000 3.306 527 V HA 0.378 4.496 4.120 -0.002 0.000 0.264 527 V C 1.595 177.707 176.094 0.030 0.000 1.149 527 V CA 0.495 62.818 62.300 0.038 0.000 1.143 527 V CB -0.799 31.044 31.823 0.033 0.000 0.767 527 V HN 0.505 nan 8.190 nan 0.000 0.476 528 A N 0.431 123.279 122.820 0.048 0.000 2.304 528 A HA 0.468 4.787 4.320 -0.002 0.000 0.301 528 A C -0.154 177.509 177.584 0.132 0.000 1.132 528 A CA -0.338 51.730 52.037 0.052 0.000 0.819 528 A CB 0.483 19.543 19.000 0.101 0.000 1.094 528 A HN 0.249 nan 8.150 nan 0.000 0.492 529 D N 1.391 121.898 120.400 0.178 0.000 2.508 529 D HA 0.351 4.990 4.640 -0.002 0.000 0.224 529 D C -0.323 176.231 176.300 0.423 0.000 1.171 529 D CA 0.330 54.495 54.000 0.276 0.000 1.006 529 D CB -0.441 40.554 40.800 0.324 0.000 1.073 529 D HN 0.444 nan 8.370 nan 0.000 0.513 530 V N 0.252 120.328 119.914 0.270 0.000 2.925 530 V HA 0.490 4.609 4.120 -0.002 0.000 0.311 530 V C 0.790 176.935 176.094 0.084 0.000 1.104 530 V CA -0.903 61.532 62.300 0.225 0.000 0.954 530 V CB 2.192 34.116 31.823 0.167 0.000 1.022 530 V HN 0.092 nan 8.190 nan 0.000 0.427 531 K N 1.503 121.920 120.400 0.029 0.000 2.313 531 K HA 0.323 4.641 4.320 -0.002 0.000 0.197 531 K C 0.748 177.327 176.600 -0.034 0.000 1.061 531 K CA -0.005 56.278 56.287 -0.005 0.000 0.980 531 K CB 0.427 32.916 32.500 -0.019 0.000 0.888 531 K HN 0.708 nan 8.250 nan 0.000 0.502 532 I N 3.283 123.815 120.570 -0.062 0.000 3.115 532 I HA -0.203 3.966 4.170 -0.002 0.000 0.315 532 I C -0.110 175.962 176.117 -0.076 0.000 1.211 532 I CA 0.493 61.742 61.300 -0.085 0.000 1.453 532 I CB 0.295 38.211 38.000 -0.139 0.000 1.307 532 I HN 0.240 nan 8.210 nan 0.000 0.568 533 D N 7.194 127.558 120.400 -0.060 0.000 2.374 533 D HA 0.258 4.897 4.640 -0.002 0.000 0.239 533 D C -1.120 175.153 176.300 -0.044 0.000 0.991 533 D CA -0.645 53.324 54.000 -0.052 0.000 0.960 533 D CB 1.219 42.007 40.800 -0.020 0.000 1.284 533 D HN 0.325 nan 8.370 nan 0.000 0.512 534 L N 1.252 122.459 121.223 -0.027 0.000 2.270 534 L HA 0.367 4.706 4.340 -0.002 0.000 0.286 534 L C 1.037 178.003 176.870 0.161 0.000 1.059 534 L CA -0.355 54.514 54.840 0.048 0.000 0.839 534 L CB 0.277 42.290 42.059 -0.077 0.000 1.221 534 L HN 0.648 nan 8.230 nan 0.000 0.431 535 G N 3.327 112.179 108.800 0.087 0.000 2.494 535 G HA2 0.243 4.202 3.960 -0.002 0.000 0.297 535 G HA3 0.243 4.202 3.960 -0.002 0.000 0.297 535 G C 0.068 175.007 174.900 0.065 0.000 0.971 535 G CA -0.022 45.115 45.100 0.063 0.000 1.378 535 G HN 0.761 nan 8.290 nan 0.000 0.456 536 E N 1.219 121.454 120.200 0.058 0.000 7.387 536 E HA -0.141 4.208 4.350 -0.002 0.000 0.318 536 E C -2.416 174.161 176.600 -0.037 0.000 0.824 536 E CA -0.227 56.170 56.400 -0.004 0.000 1.347 536 E CB -0.304 29.389 29.700 -0.011 0.000 0.927 536 E HN 0.477 nan 8.360 nan 0.000 0.269 537 P HA -0.046 nan 4.420 nan 0.000 0.269 537 P C 0.453 177.670 177.300 -0.139 0.000 1.209 537 P CA 0.441 63.319 63.100 -0.370 0.000 0.776 537 P CB 0.851 32.088 31.700 -0.771 0.000 0.876 538 A N 3.502 126.289 122.820 -0.056 0.000 2.024 538 A HA -0.072 4.247 4.320 -0.002 0.000 0.220 538 A C 1.204 178.774 177.584 -0.023 0.000 1.164 538 A CA 1.175 53.202 52.037 -0.017 0.000 0.643 538 A CB -0.763 18.245 19.000 0.013 0.000 0.806 538 A HN 0.570 nan 8.150 nan 0.000 0.451 539 I N 0.159 120.711 120.570 -0.031 0.000 2.406 539 I HA 0.224 4.393 4.170 -0.002 0.000 0.290 539 I C 0.328 176.422 176.117 -0.038 0.000 0.999 539 I CA -0.624 60.675 61.300 -0.002 0.000 1.124 539 I CB 1.867 39.907 38.000 0.066 0.000 1.289 539 I HN -0.002 nan 8.210 nan 0.000 0.441 540 L N 4.232 125.436 121.223 -0.033 0.000 2.445 540 L HA 0.300 4.639 4.340 -0.002 0.000 0.207 540 L C 2.154 179.003 176.870 -0.036 0.000 1.053 540 L CA 1.220 56.027 54.840 -0.054 0.000 0.841 540 L CB -1.400 40.631 42.059 -0.047 0.000 1.074 540 L HN 0.723 nan 8.230 nan 0.000 0.479 541 A N 1.750 124.564 122.820 -0.009 0.000 1.839 541 A HA -0.048 4.271 4.320 -0.002 0.000 0.213 541 A C 0.096 177.682 177.584 0.003 0.000 1.274 541 A CA 1.506 53.541 52.037 -0.004 0.000 0.608 541 A CB -2.098 16.904 19.000 0.003 0.000 0.920 541 A HN 0.338 nan 8.150 nan 0.000 0.465 542 P HA -0.080 nan 4.420 nan 0.000 0.215 542 P C 0.283 177.601 177.300 0.029 0.000 1.153 542 P CA 1.183 64.305 63.100 0.037 0.000 0.853 542 P CB 0.065 31.802 31.700 0.062 0.000 0.788 543 R N -1.192 119.333 120.500 0.042 0.000 2.739 543 R HA 0.352 4.691 4.340 -0.002 0.000 0.271 543 R C -0.620 175.568 176.300 -0.186 0.000 1.010 543 R CA -0.723 55.319 56.100 -0.096 0.000 0.897 543 R CB 1.794 32.010 30.300 -0.139 0.000 1.236 543 R HN -0.068 nan 8.270 nan 0.000 0.466 544 E N 1.834 121.837 120.200 -0.328 0.000 2.180 544 E HA 0.157 4.505 4.350 -0.002 0.000 0.283 544 E C -1.243 175.057 176.600 -0.499 0.000 1.061 544 E CA 0.166 56.370 56.400 -0.327 0.000 0.861 544 E CB 0.659 30.188 29.700 -0.285 0.000 1.056 544 E HN 0.278 nan 8.360 nan 0.000 0.407 545 Y N 1.875 122.072 120.300 -0.172 0.000 2.361 545 Y HA 0.245 4.794 4.550 -0.002 0.000 0.337 545 Y C -0.745 175.063 175.900 -0.153 0.000 0.965 545 Y CA -0.910 57.129 58.100 -0.101 0.000 1.091 545 Y CB 1.031 39.479 38.460 -0.020 0.000 1.182 545 Y HN 0.426 nan 8.280 nan 0.000 0.450 546 Y N 1.240 121.634 120.300 0.156 0.000 2.304 546 Y HA 0.355 4.904 4.550 -0.002 0.000 0.328 546 Y C 0.915 176.854 175.900 0.066 0.000 1.123 546 Y CA -0.893 57.254 58.100 0.078 0.000 1.218 546 Y CB 1.014 39.500 38.460 0.044 0.000 1.207 546 Y HN 0.548 nan 8.280 nan 0.000 0.495 547 T N -1.521 113.132 114.554 0.166 0.000 2.910 547 T HA 0.275 4.624 4.350 -0.002 0.000 0.293 547 T C 1.399 176.113 174.700 0.024 0.000 1.015 547 T CA -0.347 61.795 62.100 0.070 0.000 1.094 547 T CB 1.504 70.384 68.868 0.021 0.000 0.968 547 T HN 0.865 nan 8.240 nan 0.000 0.521 548 G N 1.170 109.937 108.800 -0.054 0.000 2.479 548 G HA2 -0.158 3.801 3.960 -0.002 0.000 0.220 548 G HA3 -0.158 3.801 3.960 -0.002 0.000 0.220 548 G C 1.460 176.287 174.900 -0.122 0.000 1.115 548 G CA 0.145 45.156 45.100 -0.148 0.000 0.757 548 G HN 0.715 nan 8.290 nan 0.000 0.560 549 K N 0.038 120.376 120.400 -0.102 0.000 2.148 549 K HA -0.081 4.238 4.320 -0.002 0.000 0.204 549 K C 2.372 178.926 176.600 -0.076 0.000 1.050 549 K CA 1.009 57.224 56.287 -0.121 0.000 0.942 549 K CB -0.209 32.229 32.500 -0.103 0.000 0.724 549 K HN 0.448 nan 8.250 nan 0.000 0.446 550 Q N 0.935 120.717 119.800 -0.030 0.000 2.079 550 Q HA -0.122 4.217 4.340 -0.002 0.000 0.200 550 Q C 2.119 178.105 176.000 -0.024 0.000 0.974 550 Q CA 1.325 57.127 55.803 -0.003 0.000 0.840 550 Q CB 0.066 28.841 28.738 0.062 0.000 0.898 550 Q HN 0.166 nan 8.270 nan 0.000 0.430 551 V N -0.596 119.298 119.914 -0.034 0.000 2.453 551 V HA -0.129 3.990 4.120 -0.002 0.000 0.247 551 V C 1.943 178.056 176.094 0.032 0.000 1.048 551 V CA 1.500 63.773 62.300 -0.045 0.000 1.049 551 V CB -0.014 31.776 31.823 -0.054 0.000 0.672 551 V HN 0.274 nan 8.190 nan 0.000 0.457 552 V N 0.213 120.158 119.914 0.052 0.000 2.759 552 V HA -0.148 3.971 4.120 -0.002 0.000 0.256 552 V C 2.744 178.934 176.094 0.161 0.000 1.080 552 V CA 2.132 64.527 62.300 0.158 0.000 1.101 552 V CB -0.306 31.543 31.823 0.043 0.000 0.698 552 V HN 0.683 nan 8.190 nan 0.000 0.477 553 S N 0.289 116.012 115.700 0.039 0.000 2.428 553 S HA -0.063 4.405 4.470 -0.002 0.000 0.230 553 S C 2.004 176.613 174.600 0.014 0.000 1.014 553 S CA 1.075 59.295 58.200 0.035 0.000 0.957 553 S CB -0.232 62.966 63.200 -0.003 0.000 0.784 553 S HN 0.613 nan 8.310 nan 0.000 0.499 554 A N -0.434 122.333 122.820 -0.088 0.000 2.259 554 A HA 0.159 4.477 4.320 -0.002 0.000 0.212 554 A C 1.110 178.487 177.584 -0.345 0.000 1.178 554 A CA 0.710 52.594 52.037 -0.255 0.000 0.734 554 A CB -0.681 18.077 19.000 -0.404 0.000 0.774 554 A HN 0.639 nan 8.150 nan 0.000 0.481 555 F N -1.033 118.964 119.950 0.079 0.000 2.706 555 F HA 0.342 4.868 4.527 -0.002 0.000 0.308 555 F C 0.437 176.341 175.800 0.173 0.000 1.095 555 F CA -0.366 57.750 58.000 0.194 0.000 1.244 555 F CB 0.179 39.184 39.000 0.008 0.000 1.063 555 F HN -0.046 nan 8.300 nan 0.000 0.582 556 L N 2.041 123.371 121.223 0.180 0.000 2.350 556 L HA 0.374 4.713 4.340 -0.002 0.000 0.275 556 L C -2.303 174.530 176.870 -0.062 0.000 1.099 556 L CA -2.097 52.752 54.840 0.015 0.000 0.808 556 L CB 0.189 42.272 42.059 0.041 0.000 1.149 556 L HN -0.267 nan 8.230 nan 0.000 0.442 557 P HA 0.050 nan 4.420 nan 0.000 0.271 557 P C -0.352 176.962 177.300 0.023 0.000 1.216 557 P CA -0.322 62.654 63.100 -0.207 0.000 0.771 557 P CB 0.421 31.858 31.700 -0.438 0.000 0.864 558 K N 2.290 122.705 120.400 0.026 0.000 2.630 558 K HA -0.010 4.309 4.320 -0.002 0.000 0.204 558 K C 0.363 177.026 176.600 0.104 0.000 1.024 558 K CA 0.675 56.997 56.287 0.058 0.000 1.157 558 K CB -0.504 32.009 32.500 0.021 0.000 0.899 558 K HN 0.579 nan 8.250 nan 0.000 0.501 559 D N -1.349 119.161 120.400 0.183 0.000 2.620 559 D HA -0.020 4.619 4.640 -0.002 0.000 0.260 559 D C -0.464 176.023 176.300 0.312 0.000 1.367 559 D CA -0.605 53.526 54.000 0.219 0.000 0.805 559 D CB -0.595 40.343 40.800 0.229 0.000 1.096 559 D HN -0.065 nan 8.370 nan 0.000 0.488 560 F N 2.007 122.061 119.950 0.172 0.000 2.411 560 F HA 0.442 4.968 4.527 -0.002 0.000 0.350 560 F C -0.526 175.394 175.800 0.200 0.000 1.114 560 F CA -0.520 57.623 58.000 0.238 0.000 1.135 560 F CB 0.774 39.879 39.000 0.175 0.000 1.120 560 F HN -0.243 nan 8.300 nan 0.000 0.495 561 N N 6.681 125.177 118.700 -0.340 0.000 2.258 561 N HA 0.451 5.189 4.740 -0.002 0.000 0.299 561 N C -1.846 173.634 175.510 -0.050 0.000 1.047 561 N CA -0.372 52.610 53.050 -0.114 0.000 0.814 561 N CB 2.224 40.723 38.487 0.019 0.000 1.413 561 N HN 0.579 nan 8.380 nan 0.000 0.478 562 F N 1.240 121.185 119.950 -0.009 0.000 2.628 562 F HA 0.392 4.918 4.527 -0.002 0.000 0.309 562 F C -1.306 174.571 175.800 0.129 0.000 1.108 562 F CA -0.406 57.666 58.000 0.120 0.000 0.971 562 F CB 1.453 40.513 39.000 0.099 0.000 1.279 562 F HN 0.403 nan 8.300 nan 0.000 0.441 563 H N 2.965 121.605 119.070 -0.718 0.000 2.759 563 H HA 0.743 5.298 4.556 -0.002 0.000 0.354 563 H C -0.441 174.210 175.328 -1.128 0.000 1.074 563 H CA -1.037 54.644 56.048 -0.611 0.000 1.226 563 H CB 2.037 31.870 29.762 0.119 0.000 1.648 563 H HN 0.970 nan 8.280 nan 0.000 0.529 564 G N 1.675 109.936 108.800 -0.899 0.000 2.377 564 G HA2 0.080 4.039 3.960 -0.002 0.000 0.297 564 G HA3 0.080 4.039 3.960 -0.002 0.000 0.297 564 G C -1.626 173.112 174.900 -0.271 0.000 1.547 564 G CA -0.985 43.835 45.100 -0.467 0.000 0.833 564 G HN 0.467 nan 8.290 nan 0.000 0.583 565 Q N 0.226 120.043 119.800 0.028 0.000 2.296 565 Q HA 0.549 4.888 4.340 -0.002 0.000 0.262 565 Q C 0.762 176.852 176.000 0.151 0.000 0.981 565 Q CA 0.011 55.896 55.803 0.136 0.000 0.905 565 Q CB 1.660 30.506 28.738 0.180 0.000 1.186 565 Q HN 0.908 nan 8.270 nan 0.000 0.399 566 A N 2.572 125.491 122.820 0.164 0.000 2.366 566 A HA -0.029 4.290 4.320 -0.002 0.000 0.250 566 A C 0.974 178.638 177.584 0.132 0.000 1.099 566 A CA -0.190 51.952 52.037 0.176 0.000 0.794 566 A CB 0.217 19.339 19.000 0.203 0.000 1.056 566 A HN 0.997 nan 8.150 nan 0.000 0.499 567 N N -0.214 118.548 118.700 0.104 0.000 2.364 567 N HA -0.138 4.601 4.740 -0.002 0.000 0.183 567 N C 1.319 176.848 175.510 0.032 0.000 1.022 567 N CA 1.517 54.599 53.050 0.054 0.000 0.883 567 N CB -0.081 38.420 38.487 0.023 0.000 0.965 567 N HN 0.406 nan 8.380 nan 0.000 0.438 568 V N 0.042 119.990 119.914 0.058 0.000 2.759 568 V HA -0.079 4.040 4.120 -0.002 0.000 0.256 568 V C 1.365 177.487 176.094 0.047 0.000 1.080 568 V CA 0.822 63.141 62.300 0.032 0.000 1.101 568 V CB -0.458 31.434 31.823 0.115 0.000 0.698 568 V HN 0.197 nan 8.190 nan 0.000 0.477 569 S N 1.577 117.331 115.700 0.090 0.000 3.517 569 S HA 0.331 4.800 4.470 -0.002 0.000 0.284 569 S C 0.147 174.792 174.600 0.075 0.000 1.260 569 S CA 0.211 58.477 58.200 0.110 0.000 0.975 569 S CB -0.846 62.450 63.200 0.160 0.000 1.540 569 S HN 0.783 nan 8.310 nan 0.000 0.506 570 S N 2.413 118.139 115.700 0.043 0.000 2.547 570 S HA 0.803 5.272 4.470 -0.002 0.000 0.270 570 S C 0.509 175.121 174.600 0.021 0.000 1.150 570 S CA -0.308 57.911 58.200 0.031 0.000 0.850 570 S CB 0.830 64.036 63.200 0.011 0.000 1.118 570 S HN 1.423 nan 8.310 nan 0.000 0.461 571 G N 2.360 111.178 108.800 0.029 0.000 2.622 571 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.307 571 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.307 571 G C -1.689 173.230 174.900 0.033 0.000 1.226 571 G CA 0.469 45.587 45.100 0.030 0.000 0.997 571 G HN 0.816 nan 8.290 nan 0.000 0.551 572 P HA 0.117 nan 4.420 nan 0.000 0.226 572 P C 1.404 178.657 177.300 -0.078 0.000 1.153 572 P CA 1.145 64.250 63.100 0.008 0.000 0.777 572 P CB 0.016 31.711 31.700 -0.009 0.000 0.794 573 R N -0.760 119.659 120.500 -0.135 0.000 2.552 573 R HA 0.280 4.619 4.340 -0.002 0.000 0.314 573 R C 0.490 176.837 176.300 0.078 0.000 1.041 573 R CA -0.438 55.511 56.100 -0.252 0.000 1.076 573 R CB -0.310 29.852 30.300 -0.229 0.000 1.290 573 R HN 0.221 nan 8.270 nan 0.000 0.563 574 L N -1.323 119.975 121.223 0.124 0.000 2.453 574 L HA 0.127 4.466 4.340 -0.002 0.000 0.261 574 L C 0.214 177.201 176.870 0.196 0.000 1.179 574 L CA 0.034 54.960 54.840 0.144 0.000 0.813 574 L CB 1.141 43.261 42.059 0.101 0.000 1.110 574 L HN 0.164 nan 8.230 nan 0.000 0.466 575 c N 0.080 118.782 118.600 0.170 0.000 3.194 575 c HA 0.309 4.878 4.570 -0.002 0.000 0.219 575 c C 1.357 175.476 174.090 0.048 0.000 2.504 575 c CA 0.042 56.453 56.329 0.136 0.000 1.304 575 c CB -0.007 42.633 42.510 0.217 0.000 1.270 575 c HN 1.077 nan 8.230 nan 0.000 0.723 576 K N 0.026 120.479 120.400 0.090 0.000 3.596 576 K HA -0.206 4.113 4.320 -0.002 0.000 0.295 576 K C -0.031 176.362 176.600 -0.345 0.000 1.230 576 K CA 1.488 57.775 56.287 -0.001 0.000 1.029 576 K CB -1.078 31.437 32.500 0.024 0.000 1.303 576 K HN 0.656 nan 8.250 nan 0.000 0.442 577 N N -0.104 118.309 118.700 -0.478 0.000 2.312 577 N HA 0.146 4.885 4.740 -0.002 0.000 0.296 577 N C -0.143 174.978 175.510 -0.648 0.000 1.193 577 N CA -0.274 52.451 53.050 -0.542 0.000 0.773 577 N CB 1.546 39.897 38.487 -0.225 0.000 1.435 577 N HN 0.078 nan 8.380 nan 0.000 0.484 578 E N -0.248 119.685 120.200 -0.445 0.000 2.358 578 E HA -0.090 4.258 4.350 -0.002 0.000 0.195 578 E C -0.595 175.983 176.600 -0.036 0.000 1.010 578 E CA 0.539 56.855 56.400 -0.138 0.000 0.856 578 E CB 0.153 29.868 29.700 0.024 0.000 0.795 578 E HN 0.405 nan 8.360 nan 0.000 0.504 579 D N 0.433 120.789 120.400 -0.074 0.000 2.316 579 D HA 0.123 4.762 4.640 -0.002 0.000 0.245 579 D C -1.603 174.664 176.300 -0.055 0.000 1.171 579 D CA -0.258 53.715 54.000 -0.045 0.000 0.856 579 D CB 0.764 41.536 40.800 -0.046 0.000 1.090 579 D HN -0.053 nan 8.370 nan 0.000 0.476 580 c N 6.365 124.943 118.600 -0.037 0.000 2.832 580 c HA 0.400 4.969 4.570 -0.002 0.000 0.383 580 c C -1.858 172.172 174.090 -0.101 0.000 1.046 580 c CA -1.208 55.085 56.329 -0.060 0.000 1.242 580 c CB 1.203 43.729 42.510 0.027 0.000 1.693 580 c HN 0.568 nan 8.230 nan 0.000 0.497 581 P HA 0.046 nan 4.420 nan 0.000 0.230 581 P C 0.117 177.288 177.300 -0.214 0.000 1.158 581 P CA 1.233 64.176 63.100 -0.262 0.000 0.769 581 P CB -0.045 31.438 31.700 -0.361 0.000 0.807 582 H N -1.287 117.836 119.070 0.088 0.000 2.649 582 H HA 0.262 4.817 4.556 -0.002 0.000 0.337 582 H C -0.200 175.195 175.328 0.111 0.000 1.282 582 H CA -0.636 55.481 56.048 0.115 0.000 1.333 582 H CB 0.319 30.160 29.762 0.131 0.000 1.787 582 H HN -0.182 nan 8.280 nan 0.000 0.632 583 D N 0.454 121.011 120.400 0.261 0.000 2.781 583 D HA 0.089 4.728 4.640 -0.002 0.000 0.254 583 D C 0.326 176.743 176.300 0.196 0.000 1.213 583 D CA 0.094 54.194 54.000 0.167 0.000 0.994 583 D CB 0.101 40.954 40.800 0.089 0.000 1.019 583 D HN 0.446 nan 8.370 nan 0.000 0.514 584 S N 1.953 117.795 115.700 0.236 0.000 2.787 584 S HA 0.081 4.550 4.470 -0.002 0.000 0.255 584 S C -0.515 174.251 174.600 0.278 0.000 1.051 584 S CA -0.460 57.890 58.200 0.249 0.000 1.124 584 S CB 0.137 63.500 63.200 0.272 0.000 1.104 584 S HN 0.327 nan 8.310 nan 0.000 0.623 585 Y N 2.194 122.570 120.300 0.127 0.000 2.345 585 Y HA 0.596 5.145 4.550 -0.002 0.000 0.331 585 Y C -0.715 175.249 175.900 0.107 0.000 0.959 585 Y CA -0.896 57.271 58.100 0.112 0.000 1.204 585 Y CB 1.304 39.816 38.460 0.087 0.000 1.135 585 Y HN -0.070 nan 8.280 nan 0.000 0.477 586 V N 7.395 127.142 119.914 -0.278 0.000 2.427 586 V HA 0.284 4.403 4.120 -0.002 0.000 0.268 586 V C -0.479 175.453 176.094 -0.271 0.000 1.046 586 V CA -0.384 61.857 62.300 -0.098 0.000 0.970 586 V CB 0.743 32.692 31.823 0.209 0.000 1.001 586 V HN 0.542 nan 8.190 nan 0.000 0.476 587 V N 7.377 127.211 119.914 -0.132 0.000 2.409 587 V HA 0.504 4.623 4.120 -0.002 0.000 0.290 587 V C -0.437 175.605 176.094 -0.087 0.000 1.017 587 V CA -0.399 61.747 62.300 -0.256 0.000 0.841 587 V CB 1.666 33.344 31.823 -0.242 0.000 1.003 587 V HN 0.675 nan 8.190 nan 0.000 0.426 588 I N 5.284 125.859 120.570 0.009 0.000 2.406 588 I HA 0.499 4.668 4.170 -0.002 0.000 0.290 588 I C -0.014 176.133 176.117 0.050 0.000 0.999 588 I CA -0.136 61.227 61.300 0.105 0.000 1.124 588 I CB 1.703 39.892 38.000 0.314 0.000 1.289 588 I HN 0.440 nan 8.210 nan 0.000 0.441 589 K N 5.324 125.722 120.400 -0.002 0.000 2.345 589 K HA 0.405 4.724 4.320 -0.002 0.000 0.255 589 K C -0.385 176.181 176.600 -0.058 0.000 0.934 589 K CA -0.846 55.393 56.287 -0.080 0.000 0.801 589 K CB 1.374 33.768 32.500 -0.177 0.000 1.137 589 K HN 0.468 nan 8.250 nan 0.000 0.424 590 N N 1.439 120.103 118.700 -0.061 0.000 2.708 590 N HA -0.207 4.532 4.740 -0.002 0.000 0.251 590 N C 0.351 175.903 175.510 0.069 0.000 1.017 590 N CA 1.585 54.632 53.050 -0.004 0.000 0.742 590 N CB -1.230 37.201 38.487 -0.093 0.000 0.943 590 N HN 1.120 nan 8.380 nan 0.000 0.539 591 G N -1.087 107.810 108.800 0.161 0.000 2.256 591 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.272 591 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.272 591 G C -0.333 174.617 174.900 0.084 0.000 1.076 591 G CA 0.190 45.383 45.100 0.155 0.000 0.882 591 G HN 0.428 nan 8.290 nan 0.000 0.497 592 I N -0.165 120.450 120.570 0.075 0.000 2.533 592 I HA 0.367 4.536 4.170 -0.002 0.000 0.290 592 I C 0.325 176.458 176.117 0.026 0.000 1.056 592 I CA -1.276 60.040 61.300 0.027 0.000 1.057 592 I CB 1.893 39.889 38.000 -0.007 0.000 1.240 592 I HN 0.081 nan 8.210 nan 0.000 0.423 593 L N 6.217 127.434 121.223 -0.010 0.000 2.389 593 L HA 0.165 4.504 4.340 -0.002 0.000 0.265 593 L C 0.852 177.693 176.870 -0.050 0.000 1.167 593 L CA -0.282 54.527 54.840 -0.052 0.000 1.045 593 L CB 0.409 42.374 42.059 -0.156 0.000 1.351 593 L HN 0.502 nan 8.230 nan 0.000 0.419 594 L N 1.756 122.961 121.223 -0.030 0.000 2.068 594 L HA 0.157 4.496 4.340 -0.002 0.000 0.204 594 L C 0.941 177.800 176.870 -0.018 0.000 1.076 594 L CA 1.382 56.206 54.840 -0.025 0.000 0.753 594 L CB -0.530 41.514 42.059 -0.025 0.000 0.910 594 L HN 0.537 nan 8.230 nan 0.000 0.439 595 E N -2.055 118.139 120.200 -0.010 0.000 2.393 595 E HA 0.516 4.865 4.350 -0.002 0.000 0.273 595 E C -0.511 176.100 176.600 0.018 0.000 0.918 595 E CA -0.131 56.281 56.400 0.019 0.000 0.773 595 E CB 2.754 32.495 29.700 0.068 0.000 1.275 595 E HN 0.147 nan 8.360 nan 0.000 0.451 596 G N -0.139 108.686 108.800 0.042 0.000 2.707 596 G HA2 -0.106 3.853 3.960 -0.002 0.000 0.686 596 G HA3 -0.106 3.853 3.960 -0.002 0.000 0.686 596 G C -1.441 173.473 174.900 0.024 0.000 1.315 596 G CA -0.455 44.684 45.100 0.064 0.000 0.832 596 G HN 0.440 nan 8.290 nan 0.000 0.573 597 V N 1.077 121.047 119.914 0.093 0.000 2.680 597 V HA 0.788 4.907 4.120 -0.002 0.000 0.309 597 V C -0.427 175.836 176.094 0.282 0.000 1.052 597 V CA -1.152 61.195 62.300 0.079 0.000 0.908 597 V CB 1.512 33.382 31.823 0.078 0.000 1.001 597 V HN 0.822 nan 8.190 nan 0.000 0.431 598 F N 5.675 125.639 119.950 0.023 0.000 2.410 598 F HA 0.610 5.136 4.527 -0.002 0.000 0.348 598 F C 0.495 176.316 175.800 0.034 0.000 1.106 598 F CA -0.848 57.160 58.000 0.014 0.000 1.163 598 F CB 1.115 40.082 39.000 -0.056 0.000 1.129 598 F HN 0.830 nan 8.300 nan 0.000 0.516 599 D N 0.808 121.311 120.400 0.172 0.000 3.734 599 D HA 0.117 4.755 4.640 -0.002 0.000 0.350 599 D C -1.028 175.291 176.300 0.032 0.000 1.511 599 D CA -0.816 53.243 54.000 0.099 0.000 0.956 599 D CB 0.577 41.462 40.800 0.143 0.000 1.470 599 D HN 0.234 nan 8.370 nan 0.000 0.598 600 K N 0.182 120.595 120.400 0.021 0.000 2.414 600 K HA 0.050 4.369 4.320 -0.002 0.000 0.272 600 K C 0.183 176.801 176.600 0.029 0.000 0.993 600 K CA 0.250 56.543 56.287 0.010 0.000 0.964 600 K CB 0.293 32.793 32.500 -0.000 0.000 0.925 600 K HN 0.483 nan 8.250 nan 0.000 0.487 601 K N -0.267 120.145 120.400 0.021 0.000 3.459 601 K HA -0.217 4.102 4.320 -0.002 0.000 0.291 601 K C 0.828 177.439 176.600 0.017 0.000 0.863 601 K CA 1.467 57.785 56.287 0.052 0.000 1.269 601 K CB -1.564 30.997 32.500 0.103 0.000 1.300 601 K HN 0.694 nan 8.250 nan 0.000 0.507 602 A N 0.433 123.227 122.820 -0.043 0.000 1.942 602 A HA 0.378 4.697 4.320 -0.002 0.000 0.209 602 A C 1.231 178.674 177.584 -0.234 0.000 1.214 602 A CA 0.830 52.734 52.037 -0.222 0.000 0.686 602 A CB 0.310 19.102 19.000 -0.346 0.000 0.871 602 A HN 0.238 nan 8.150 nan 0.000 0.460 603 I N -3.306 117.193 120.570 -0.118 0.000 3.516 603 I HA 0.681 4.850 4.170 -0.002 0.000 0.302 603 I C 0.349 176.446 176.117 -0.035 0.000 1.143 603 I CA -0.703 60.574 61.300 -0.040 0.000 1.003 603 I CB 1.482 39.538 38.000 0.095 0.000 1.347 603 I HN 0.434 nan 8.210 nan 0.000 0.486 604 G N 2.386 111.155 108.800 -0.053 0.000 3.055 604 G HA2 -0.115 3.843 3.960 -0.002 0.000 0.686 604 G HA3 -0.115 3.843 3.960 -0.002 0.000 0.686 604 G C -0.646 174.216 174.900 -0.064 0.000 1.087 604 G CA -0.670 44.398 45.100 -0.054 0.000 0.779 604 G HN 0.945 nan 8.290 nan 0.000 0.599 605 N N 2.168 120.827 118.700 -0.068 0.000 2.178 605 N HA 0.003 4.742 4.740 -0.002 0.000 0.220 605 N C 0.769 176.266 175.510 -0.021 0.000 1.292 605 N CA 0.830 53.849 53.050 -0.053 0.000 0.871 605 N CB 0.198 38.661 38.487 -0.039 0.000 1.085 605 N HN 1.078 nan 8.380 nan 0.000 0.438 606 Q N -0.927 118.886 119.800 0.021 0.000 2.395 606 Q HA -0.226 4.113 4.340 -0.002 0.000 0.326 606 Q C -1.048 174.957 176.000 0.008 0.000 1.302 606 Q CA 1.096 56.931 55.803 0.053 0.000 0.949 606 Q CB -0.721 28.018 28.738 0.001 0.000 1.204 606 Q HN 0.593 nan 8.270 nan 0.000 0.444 607 Q N 0.626 120.426 119.800 -0.000 0.000 2.798 607 Q HA 0.400 4.739 4.340 -0.002 0.000 0.250 607 Q C -2.406 173.597 176.000 0.005 0.000 1.006 607 Q CA -1.567 54.237 55.803 0.001 0.000 0.759 607 Q CB 1.693 30.422 28.738 -0.014 0.000 1.201 607 Q HN 0.192 nan 8.270 nan 0.000 0.486 608 P HA 0.092 nan 4.420 nan 0.000 0.274 608 P C -0.389 177.002 177.300 0.151 0.000 1.237 608 P CA -0.033 63.159 63.100 0.152 0.000 0.793 608 P CB 0.609 32.544 31.700 0.391 0.000 0.977 609 E N -1.686 118.552 120.200 0.063 0.000 2.539 609 E HA -0.201 4.148 4.350 -0.002 0.000 0.253 609 E C -0.095 176.513 176.600 0.012 0.000 1.145 609 E CA 0.539 56.841 56.400 -0.163 0.000 0.738 609 E CB -1.563 28.256 29.700 0.197 0.000 1.308 609 E HN 0.590 nan 8.360 nan 0.000 0.409 610 S N -0.902 114.756 115.700 -0.070 0.000 2.693 610 S HA 0.460 4.929 4.470 -0.002 0.000 0.276 610 S C 1.227 175.767 174.600 -0.100 0.000 1.192 610 S CA -0.659 57.532 58.200 -0.014 0.000 0.994 610 S CB 1.267 64.449 63.200 -0.030 0.000 1.012 610 S HN 0.204 nan 8.310 nan 0.000 0.550 611 I N 0.306 120.710 120.570 -0.277 0.000 2.194 611 I HA -0.176 3.993 4.170 -0.002 0.000 0.246 611 I C 2.307 178.423 176.117 -0.002 0.000 1.093 611 I CA 1.287 62.429 61.300 -0.262 0.000 1.355 611 I CB -0.426 37.314 38.000 -0.433 0.000 1.046 611 I HN 0.596 nan 8.210 nan 0.000 0.413 612 L N -0.020 121.154 121.223 -0.083 0.000 2.217 612 L HA -0.196 4.143 4.340 -0.002 0.000 0.211 612 L C 2.511 179.413 176.870 0.053 0.000 1.107 612 L CA 1.610 56.432 54.840 -0.030 0.000 0.783 612 L CB -0.649 41.383 42.059 -0.045 0.000 0.919 612 L HN 0.243 nan 8.230 nan 0.000 0.442 613 H N -1.727 117.259 119.070 -0.141 0.000 2.270 613 H HA -0.239 4.316 4.556 -0.002 0.000 0.299 613 H C 1.948 177.231 175.328 -0.074 0.000 1.077 613 H CA 2.174 58.086 56.048 -0.227 0.000 1.294 613 H CB -0.259 29.205 29.762 -0.496 0.000 1.371 613 H HN 0.441 nan 8.280 nan 0.000 0.491 614 W N 0.969 122.412 121.300 0.239 0.000 2.354 614 W HA -0.145 4.514 4.660 -0.001 0.000 0.315 614 W C 2.604 179.408 176.519 0.476 0.000 1.206 614 W CA 0.330 57.841 57.345 0.277 0.000 1.290 614 W CB -0.463 29.196 29.460 0.332 0.000 1.152 614 W HN 0.174 nan 8.180 nan 0.000 0.489 615 L N -0.017 121.600 121.223 0.658 0.000 2.197 615 L HA -0.282 4.057 4.340 -0.002 0.000 0.215 615 L C 1.993 179.146 176.870 0.472 0.000 1.095 615 L CA 1.399 56.471 54.840 0.386 0.000 0.764 615 L CB -0.575 41.433 42.059 -0.086 0.000 0.897 615 L HN 0.164 nan 8.230 nan 0.000 0.436 616 I N -1.336 119.445 120.570 0.352 0.000 3.081 616 I HA -0.161 4.008 4.170 -0.002 0.000 0.274 616 I C 2.514 178.825 176.117 0.324 0.000 1.178 616 I CA 0.403 61.870 61.300 0.279 0.000 1.460 616 I CB -0.072 38.010 38.000 0.135 0.000 1.137 616 I HN 0.152 nan 8.210 nan 0.000 0.443 617 K N 2.101 122.716 120.400 0.359 0.000 2.062 617 K HA -0.147 4.172 4.320 -0.002 0.000 0.205 617 K C 0.936 177.689 176.600 0.255 0.000 1.051 617 K CA 1.353 57.822 56.287 0.304 0.000 0.941 617 K CB 0.102 32.792 32.500 0.317 0.000 0.719 617 K HN 0.377 nan 8.250 nan 0.000 0.440 618 E N -0.393 119.967 120.200 0.267 0.000 2.663 618 E HA 0.126 4.475 4.350 -0.002 0.000 0.240 618 E C -1.275 175.048 176.600 -0.461 0.000 1.227 618 E CA -0.541 55.834 56.400 -0.041 0.000 1.528 618 E CB 0.059 29.706 29.700 -0.088 0.000 1.472 618 E HN 0.132 nan 8.360 nan 0.000 0.433 619 Y N -0.636 119.817 120.300 0.255 0.000 2.677 619 Y HA 0.136 4.685 4.550 -0.002 0.000 0.334 619 Y C 0.005 176.054 175.900 0.248 0.000 1.196 619 Y CA -1.211 57.041 58.100 0.254 0.000 1.059 619 Y CB 1.310 39.995 38.460 0.375 0.000 1.315 619 Y HN 0.211 nan 8.280 nan 0.000 0.455 620 S N -0.456 115.482 115.700 0.397 0.000 2.554 620 S HA -0.070 4.399 4.470 -0.002 0.000 0.290 620 S C 0.499 175.278 174.600 0.298 0.000 1.309 620 S CA 0.262 58.626 58.200 0.274 0.000 1.047 620 S CB 0.574 63.902 63.200 0.213 0.000 0.828 620 S HN 0.809 nan 8.310 nan 0.000 0.509 621 D N 0.252 120.780 120.400 0.215 0.000 2.348 621 D HA -0.026 4.613 4.640 -0.002 0.000 0.216 621 D C 1.371 177.834 176.300 0.272 0.000 0.970 621 D CA 0.746 54.878 54.000 0.221 0.000 0.889 621 D CB 0.115 41.015 40.800 0.166 0.000 0.912 621 D HN 0.574 nan 8.370 nan 0.000 0.524 622 E N -1.347 118.984 120.200 0.218 0.000 2.481 622 E HA -0.036 4.313 4.350 -0.002 0.000 0.198 622 E C 0.755 177.487 176.600 0.220 0.000 1.027 622 E CA -0.055 56.439 56.400 0.157 0.000 0.900 622 E CB 0.208 29.963 29.700 0.092 0.000 0.993 622 E HN 0.459 nan 8.360 nan 0.000 0.482 623 Y N 0.197 120.588 120.300 0.152 0.000 2.301 623 Y HA 0.173 4.722 4.550 -0.002 0.000 0.295 623 Y C 2.025 178.085 175.900 0.267 0.000 1.119 623 Y CA 1.483 59.705 58.100 0.203 0.000 1.162 623 Y CB -0.511 38.045 38.460 0.160 0.000 1.046 623 Y HN -0.033 nan 8.280 nan 0.000 0.538 624 G N 1.176 109.992 108.800 0.027 0.000 2.553 624 G HA2 -0.416 3.543 3.960 -0.002 0.000 0.218 624 G HA3 -0.416 3.543 3.960 -0.002 0.000 0.218 624 G C 1.775 176.642 174.900 -0.055 0.000 1.195 624 G CA 1.359 46.411 45.100 -0.080 0.000 0.779 624 G HN 0.427 nan 8.290 nan 0.000 0.577 625 K N -0.764 119.674 120.400 0.064 0.000 2.152 625 K HA -0.174 4.145 4.320 -0.002 0.000 0.206 625 K C 2.166 178.788 176.600 0.036 0.000 1.048 625 K CA 1.425 57.733 56.287 0.036 0.000 0.933 625 K CB -0.300 32.181 32.500 -0.032 0.000 0.721 625 K HN 0.514 nan 8.250 nan 0.000 0.447 626 W N 1.041 122.281 121.300 -0.101 0.000 2.409 626 W HA -0.160 4.499 4.660 -0.002 0.000 0.299 626 W C 1.642 178.077 176.519 -0.139 0.000 1.203 626 W CA 0.833 58.134 57.345 -0.074 0.000 1.298 626 W CB -0.313 29.159 29.460 0.020 0.000 1.127 626 W HN 0.096 nan 8.180 nan 0.000 0.528 627 L N 0.813 121.855 121.223 -0.301 0.000 2.017 627 L HA -0.240 4.099 4.340 -0.002 0.000 0.208 627 L C 2.381 179.005 176.870 -0.410 0.000 1.073 627 L CA 2.074 56.557 54.840 -0.596 0.000 0.745 627 L CB -0.855 40.868 42.059 -0.560 0.000 0.894 627 L HN -0.048 nan 8.230 nan 0.000 0.432 628 M N -0.968 118.535 119.600 -0.161 0.000 2.202 628 M HA -0.202 4.277 4.480 -0.002 0.000 0.262 628 M C 1.626 177.890 176.300 -0.060 0.000 1.063 628 M CA 1.478 56.767 55.300 -0.018 0.000 1.097 628 M CB -1.267 31.263 32.600 -0.117 0.000 1.382 628 M HN 0.292 nan 8.290 nan 0.000 0.413 629 D N -0.417 119.871 120.400 -0.186 0.000 2.327 629 D HA 0.032 4.671 4.640 -0.002 0.000 0.205 629 D C 1.455 177.597 176.300 -0.264 0.000 0.989 629 D CA 0.633 54.530 54.000 -0.172 0.000 0.873 629 D CB 0.119 40.848 40.800 -0.119 0.000 0.955 629 D HN 0.416 nan 8.370 nan 0.000 0.515 630 N N -0.235 118.143 118.700 -0.537 0.000 2.211 630 N HA 0.015 4.754 4.740 -0.002 0.000 0.216 630 N C 1.561 176.524 175.510 -0.912 0.000 1.240 630 N CA -0.071 52.608 53.050 -0.618 0.000 0.895 630 N CB 1.048 39.127 38.487 -0.680 0.000 1.102 630 N HN 0.054 nan 8.380 nan 0.000 0.498 631 L N 0.317 120.778 121.223 -1.271 0.000 2.095 631 L HA 0.176 4.515 4.340 -0.002 0.000 0.204 631 L C 1.485 177.469 176.870 -1.477 0.000 1.080 631 L CA 1.568 55.352 54.840 -1.760 0.000 0.759 631 L CB -0.388 40.587 42.059 -1.807 0.000 0.914 631 L HN -0.112 nan 8.230 nan 0.000 0.439 632 F N -0.665 118.802 119.950 -0.804 0.000 2.335 632 F HA 0.056 4.582 4.527 -0.002 0.000 0.296 632 F C 2.575 178.296 175.800 -0.131 0.000 1.091 632 F CA 0.761 58.479 58.000 -0.469 0.000 1.399 632 F CB -0.439 38.346 39.000 -0.358 0.000 1.067 632 F HN -0.053 nan 8.300 nan 0.000 0.520 633 R N 0.225 120.704 120.500 -0.036 0.000 2.193 633 R HA -0.091 4.248 4.340 -0.002 0.000 0.229 633 R C 1.935 178.221 176.300 -0.024 0.000 1.110 633 R CA 0.675 56.784 56.100 0.016 0.000 0.988 633 R CB -0.431 29.845 30.300 -0.040 0.000 0.871 633 R HN 0.160 nan 8.270 nan 0.000 0.458 634 V N -0.198 119.605 119.914 -0.186 0.000 2.346 634 V HA -0.175 3.944 4.120 -0.002 0.000 0.244 634 V C 1.669 177.811 176.094 0.081 0.000 1.037 634 V CA 1.406 63.641 62.300 -0.108 0.000 1.029 634 V CB -0.479 31.199 31.823 -0.242 0.000 0.663 634 V HN 0.186 nan 8.190 nan 0.000 0.454 635 F N -0.147 119.843 119.950 0.068 0.000 2.087 635 F HA -0.228 4.298 4.527 -0.002 0.000 0.299 635 F C 2.314 178.212 175.800 0.164 0.000 1.100 635 F CA 1.155 59.244 58.000 0.148 0.000 1.226 635 F CB -1.055 38.082 39.000 0.227 0.000 0.983 635 F HN 0.088 nan 8.300 nan 0.000 0.479 636 I N -0.286 120.465 120.570 0.302 0.000 2.226 636 I HA -0.238 3.931 4.170 -0.002 0.000 0.245 636 I C 2.536 178.730 176.117 0.128 0.000 1.100 636 I CA 1.168 62.545 61.300 0.130 0.000 1.374 636 I CB -1.193 36.825 38.000 0.030 0.000 1.057 636 I HN 0.079 nan 8.210 nan 0.000 0.413 637 R N 1.054 121.641 120.500 0.145 0.000 2.105 637 R HA -0.217 4.122 4.340 -0.002 0.000 0.239 637 R C 2.223 178.627 176.300 0.173 0.000 1.135 637 R CA 1.481 57.658 56.100 0.128 0.000 0.967 637 R CB -1.034 29.337 30.300 0.118 0.000 0.861 637 R HN 0.254 nan 8.270 nan 0.000 0.442 638 F N -0.203 119.806 119.950 0.098 0.000 2.234 638 F HA -0.053 4.473 4.527 -0.002 0.000 0.299 638 F C 1.601 177.461 175.800 0.099 0.000 1.087 638 F CA 1.068 59.131 58.000 0.104 0.000 1.340 638 F CB -0.013 39.066 39.000 0.131 0.000 1.031 638 F HN -0.112 nan 8.300 nan 0.000 0.500 639 V N 0.369 120.313 119.914 0.050 0.000 2.515 639 V HA -0.243 3.876 4.120 -0.002 0.000 0.250 639 V C 1.920 177.984 176.094 -0.050 0.000 1.058 639 V CA 1.994 64.271 62.300 -0.039 0.000 1.064 639 V CB -0.900 30.935 31.823 0.020 0.000 0.675 639 V HN 0.315 nan 8.190 nan 0.000 0.461 640 E N -0.035 120.154 120.200 -0.018 0.000 2.409 640 E HA -0.130 4.219 4.350 -0.002 0.000 0.198 640 E C 1.809 178.387 176.600 -0.037 0.000 1.024 640 E CA 0.696 57.090 56.400 -0.009 0.000 0.861 640 E CB -0.029 29.678 29.700 0.012 0.000 0.788 640 E HN 0.413 nan 8.360 nan 0.000 0.521 641 L N -0.091 121.065 121.223 -0.111 0.000 2.356 641 L HA -0.030 4.309 4.340 -0.002 0.000 0.193 641 L C 2.310 179.068 176.870 -0.187 0.000 1.087 641 L CA 0.986 55.747 54.840 -0.131 0.000 0.817 641 L CB -0.319 41.663 42.059 -0.128 0.000 1.035 641 L HN -0.067 nan 8.230 nan 0.000 0.482 642 Q N 0.935 120.492 119.800 -0.405 0.000 2.181 642 Q HA 0.084 4.423 4.340 -0.002 0.000 0.205 642 Q C 0.529 176.504 176.000 -0.041 0.000 0.980 642 Q CA 0.945 56.573 55.803 -0.291 0.000 0.862 642 Q CB -0.313 28.146 28.738 -0.466 0.000 0.905 642 Q HN 0.406 nan 8.270 nan 0.000 0.429 643 G N -0.342 108.461 108.800 0.004 0.000 3.295 643 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.686 643 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.686 643 G C -1.046 174.027 174.900 0.288 0.000 0.958 643 G CA -0.160 45.005 45.100 0.108 0.000 0.787 643 G HN 0.287 nan 8.290 nan 0.000 0.523 644 F N 3.062 123.063 119.950 0.085 0.000 2.562 644 F HA 0.761 5.287 4.527 -0.002 0.000 0.319 644 F C 0.347 176.115 175.800 -0.053 0.000 1.154 644 F CA 0.395 58.496 58.000 0.168 0.000 0.931 644 F CB 2.300 41.392 39.000 0.152 0.000 1.198 644 F HN 0.821 nan 8.300 nan 0.000 0.444 645 T N 4.334 118.378 114.554 -0.850 0.000 2.550 645 T HA 0.774 5.123 4.350 -0.002 0.000 0.256 645 T C -1.658 172.396 174.700 -1.077 0.000 0.866 645 T CA -0.494 61.099 62.100 -0.846 0.000 1.163 645 T CB 1.322 69.756 68.868 -0.722 0.000 1.460 645 T HN 0.680 nan 8.240 nan 0.000 0.498 646 M N 1.523 120.654 119.600 -0.781 0.000 2.365 646 M HA 0.575 5.054 4.480 -0.002 0.000 0.288 646 M C -2.074 174.038 176.300 -0.314 0.000 1.152 646 M CA -0.357 54.657 55.300 -0.475 0.000 0.948 646 M CB 1.621 34.081 32.600 -0.233 0.000 1.729 646 M HN 0.738 nan 8.290 nan 0.000 0.487 647 R N 3.545 123.947 120.500 -0.163 0.000 2.698 647 R HA 0.553 4.892 4.340 -0.002 0.000 0.275 647 R C -0.321 175.975 176.300 -0.006 0.000 1.001 647 R CA -1.040 55.015 56.100 -0.074 0.000 0.896 647 R CB 1.204 31.477 30.300 -0.045 0.000 1.218 647 R HN 0.872 nan 8.270 nan 0.000 0.462 648 L N 0.928 122.149 121.223 -0.003 0.000 2.265 648 L HA -0.108 4.230 4.340 -0.002 0.000 0.215 648 L C 1.093 177.983 176.870 0.034 0.000 1.117 648 L CA 1.669 56.519 54.840 0.017 0.000 0.782 648 L CB 0.022 42.089 42.059 0.014 0.000 0.914 648 L HN 0.745 nan 8.230 nan 0.000 0.441 649 E N -0.131 120.091 120.200 0.038 0.000 2.274 649 E HA -0.155 4.194 4.350 -0.002 0.000 0.194 649 E C 1.464 178.096 176.600 0.055 0.000 0.996 649 E CA 0.840 57.266 56.400 0.044 0.000 0.840 649 E CB -0.120 29.608 29.700 0.046 0.000 0.772 649 E HN 0.515 nan 8.360 nan 0.000 0.491 650 D N -0.845 119.598 120.400 0.071 0.000 2.347 650 D HA -0.044 4.595 4.640 -0.002 0.000 0.215 650 D C 1.151 177.499 176.300 0.079 0.000 0.976 650 D CA 0.500 54.552 54.000 0.087 0.000 0.884 650 D CB 0.485 41.363 40.800 0.130 0.000 0.915 650 D HN 0.109 nan 8.370 nan 0.000 0.526 651 V N -0.155 119.801 119.914 0.070 0.000 3.572 651 V HA 0.026 4.145 4.120 -0.002 0.000 0.260 651 V C 0.828 176.956 176.094 0.058 0.000 1.324 651 V CA 0.110 62.455 62.300 0.075 0.000 1.068 651 V CB 0.373 32.244 31.823 0.080 0.000 0.837 651 V HN 0.100 nan 8.190 nan 0.000 0.450 652 S N 2.716 118.444 115.700 0.048 0.000 2.474 652 S HA 0.479 4.948 4.470 -0.002 0.000 0.276 652 S C 0.316 174.932 174.600 0.027 0.000 1.227 652 S CA -0.427 57.795 58.200 0.037 0.000 1.050 652 S CB 0.821 64.043 63.200 0.037 0.000 0.939 652 S HN 0.479 nan 8.310 nan 0.000 0.490 653 L N 1.213 122.445 121.223 0.015 0.000 2.818 653 L HA 0.558 4.897 4.340 -0.002 0.000 0.243 653 L C 0.911 177.777 176.870 -0.006 0.000 1.185 653 L CA -0.897 53.946 54.840 0.005 0.000 0.988 653 L CB -0.832 41.224 42.059 -0.005 0.000 1.292 653 L HN 0.749 nan 8.230 nan 0.000 0.519 654 G N 0.857 109.660 108.800 0.005 0.000 2.241 654 G HA2 0.060 4.019 3.960 -0.002 0.000 0.235 654 G HA3 0.060 4.019 3.960 -0.002 0.000 0.235 654 G C -0.178 174.727 174.900 0.010 0.000 1.127 654 G CA 0.502 45.608 45.100 0.011 0.000 0.867 654 G HN 0.542 nan 8.290 nan 0.000 0.473 655 D N 0.489 120.900 120.400 0.018 0.000 10.944 655 D HA -0.197 4.442 4.640 -0.002 0.000 0.358 655 D C 0.793 177.094 176.300 0.000 0.000 3.120 655 D CA 1.714 55.733 54.000 0.031 0.000 2.629 655 D CB -0.279 40.544 40.800 0.038 0.000 1.169 655 D HN 1.019 nan 8.370 nan 0.000 0.937 656 D N -1.000 119.406 120.400 0.011 0.000 4.428 656 D HA -0.327 4.311 4.640 -0.002 0.000 0.207 656 D C 1.231 177.483 176.300 -0.079 0.000 0.964 656 D CA 3.106 57.099 54.000 -0.012 0.000 2.109 656 D CB -1.208 39.594 40.800 0.002 0.000 1.140 656 D HN 0.223 nan 8.370 nan 0.000 0.408 657 V N 0.578 120.419 119.914 -0.122 0.000 2.759 657 V HA -0.126 3.993 4.120 -0.002 0.000 0.256 657 V C 2.342 178.279 176.094 -0.262 0.000 1.080 657 V CA 2.064 64.206 62.300 -0.264 0.000 1.101 657 V CB -0.525 31.147 31.823 -0.251 0.000 0.698 657 V HN 0.332 nan 8.190 nan 0.000 0.477 658 K N 0.322 120.588 120.400 -0.223 0.000 2.152 658 K HA -0.188 4.131 4.320 -0.002 0.000 0.206 658 K C 2.112 178.391 176.600 -0.535 0.000 1.048 658 K CA 1.260 57.308 56.287 -0.398 0.000 0.933 658 K CB -0.161 32.136 32.500 -0.339 0.000 0.721 658 K HN 0.450 nan 8.250 nan 0.000 0.447 659 K N 0.690 120.968 120.400 -0.203 0.000 2.365 659 K HA -0.103 4.216 4.320 -0.002 0.000 0.199 659 K C 1.707 178.268 176.600 -0.065 0.000 1.045 659 K CA 0.787 57.072 56.287 -0.004 0.000 0.962 659 K CB 0.127 32.671 32.500 0.073 0.000 0.759 659 K HN 0.240 nan 8.250 nan 0.000 0.469 660 E N 0.709 120.808 120.200 -0.167 0.000 2.072 660 E HA -0.149 4.200 4.350 -0.002 0.000 0.191 660 E C 1.907 178.437 176.600 -0.117 0.000 0.985 660 E CA 0.842 57.151 56.400 -0.151 0.000 0.801 660 E CB 0.049 29.601 29.700 -0.248 0.000 0.750 660 E HN 0.230 nan 8.360 nan 0.000 0.452 661 I N 0.393 120.847 120.570 -0.194 0.000 2.252 661 I HA -0.220 3.949 4.170 -0.002 0.000 0.245 661 I C 2.157 178.240 176.117 -0.057 0.000 1.102 661 I CA 1.323 62.531 61.300 -0.155 0.000 1.385 661 I CB -1.266 36.581 38.000 -0.255 0.000 1.064 661 I HN 0.102 nan 8.210 nan 0.000 0.414 662 Y N 1.160 121.457 120.300 -0.005 0.000 2.274 662 Y HA -0.165 4.384 4.550 -0.002 0.000 0.290 662 Y C 2.435 178.321 175.900 -0.022 0.000 1.145 662 Y CA 1.010 59.101 58.100 -0.015 0.000 1.203 662 Y CB -1.150 37.293 38.460 -0.028 0.000 0.984 662 Y HN 0.273 nan 8.280 nan 0.000 0.533 663 N N -0.040 118.727 118.700 0.112 0.000 2.494 663 N HA -0.106 4.633 4.740 -0.002 0.000 0.182 663 N C 1.508 177.039 175.510 0.035 0.000 1.076 663 N CA 0.681 53.764 53.050 0.055 0.000 0.908 663 N CB 0.092 38.594 38.487 0.025 0.000 0.967 663 N HN 0.266 nan 8.380 nan 0.000 0.449 664 E N -0.329 119.895 120.200 0.040 0.000 2.389 664 E HA 0.118 4.467 4.350 -0.002 0.000 0.199 664 E C 1.754 178.390 176.600 0.060 0.000 0.978 664 E CA 0.271 56.692 56.400 0.035 0.000 0.912 664 E CB -0.074 29.640 29.700 0.022 0.000 0.907 664 E HN 0.536 nan 8.360 nan 0.000 0.494 665 I N -0.686 119.946 120.570 0.103 0.000 2.286 665 I HA -0.046 4.123 4.170 -0.002 0.000 0.245 665 I C 1.247 177.399 176.117 0.058 0.000 1.104 665 I CA 1.591 62.986 61.300 0.158 0.000 1.397 665 I CB -0.481 37.660 38.000 0.236 0.000 1.072 665 I HN -0.084 nan 8.210 nan 0.000 0.417 666 D N 0.472 120.878 120.400 0.010 0.000 2.323 666 D HA -0.128 4.511 4.640 -0.002 0.000 0.209 666 D C 2.208 178.500 176.300 -0.014 0.000 0.973 666 D CA 0.416 54.401 54.000 -0.024 0.000 0.874 666 D CB -0.416 40.360 40.800 -0.040 0.000 0.930 666 D HN 0.343 nan 8.370 nan 0.000 0.521 667 R N 0.260 120.759 120.500 -0.001 0.000 2.115 667 R HA 0.104 4.443 4.340 -0.002 0.000 0.226 667 R C 1.945 178.237 176.300 -0.013 0.000 1.100 667 R CA 1.071 57.168 56.100 -0.006 0.000 0.980 667 R CB -0.088 30.212 30.300 0.000 0.000 0.875 667 R HN 0.257 nan 8.270 nan 0.000 0.445 668 A N 0.778 123.591 122.820 -0.011 0.000 1.970 668 A HA -0.073 4.245 4.320 -0.002 0.000 0.216 668 A C 1.815 179.374 177.584 -0.042 0.000 1.170 668 A CA 0.928 52.946 52.037 -0.033 0.000 0.645 668 A CB -0.088 18.884 19.000 -0.045 0.000 0.816 668 A HN 0.228 nan 8.150 nan 0.000 0.447 669 K N 0.049 120.433 120.400 -0.026 0.000 2.057 669 K HA -0.117 4.202 4.320 -0.002 0.000 0.207 669 K C 1.761 178.342 176.600 -0.033 0.000 1.049 669 K CA 1.671 57.939 56.287 -0.032 0.000 0.931 669 K CB -0.411 32.065 32.500 -0.041 0.000 0.714 669 K HN 0.514 nan 8.250 nan 0.000 0.440 670 V N -1.054 118.843 119.914 -0.029 0.000 3.217 670 V HA -0.074 4.044 4.120 -0.002 0.000 0.264 670 V C 1.788 177.867 176.094 -0.025 0.000 1.135 670 V CA 1.442 63.727 62.300 -0.025 0.000 1.142 670 V CB -0.309 31.502 31.823 -0.021 0.000 0.754 670 V HN 0.245 nan 8.190 nan 0.000 0.484 671 E N 0.417 120.599 120.200 -0.030 0.000 2.371 671 E HA -0.047 4.302 4.350 -0.002 0.000 0.194 671 E C 1.779 178.359 176.600 -0.034 0.000 1.012 671 E CA 1.015 57.395 56.400 -0.033 0.000 0.860 671 E CB 0.337 30.015 29.700 -0.036 0.000 0.811 671 E HN 0.600 nan 8.360 nan 0.000 0.502 672 V N 0.696 120.589 119.914 -0.035 0.000 2.575 672 V HA -0.113 4.006 4.120 -0.002 0.000 0.242 672 V C 1.850 177.935 176.094 -0.014 0.000 1.045 672 V CA 1.048 63.331 62.300 -0.028 0.000 1.065 672 V CB -0.296 31.502 31.823 -0.042 0.000 0.717 672 V HN 0.196 nan 8.190 nan 0.000 0.467 673 D N 1.955 122.346 120.400 -0.016 0.000 2.108 673 D HA -0.208 4.431 4.640 -0.002 0.000 0.190 673 D C 1.917 178.218 176.300 0.002 0.000 0.995 673 D CA 2.091 56.088 54.000 -0.006 0.000 0.834 673 D CB -0.335 40.458 40.800 -0.012 0.000 0.967 673 D HN 0.598 nan 8.370 nan 0.000 0.446 674 N N 0.978 119.674 118.700 -0.005 0.000 2.512 674 N HA -0.118 4.621 4.740 -0.002 0.000 0.183 674 N C 1.973 177.483 175.510 -0.001 0.000 1.073 674 N CA 0.287 53.335 53.050 -0.004 0.000 0.911 674 N CB -0.798 37.682 38.487 -0.012 0.000 0.964 674 N HN 0.296 nan 8.380 nan 0.000 0.447 675 L N -0.308 120.913 121.223 -0.003 0.000 2.209 675 L HA 0.073 4.412 4.340 -0.002 0.000 0.207 675 L C 1.822 178.720 176.870 0.047 0.000 1.094 675 L CA 0.435 55.274 54.840 -0.001 0.000 0.790 675 L CB -0.069 41.979 42.059 -0.018 0.000 0.932 675 L HN -0.000 nan 8.230 nan 0.000 0.447 676 I N -0.173 120.428 120.570 0.051 0.000 2.202 676 I HA -0.269 3.900 4.170 -0.002 0.000 0.242 676 I C 2.276 178.473 176.117 0.133 0.000 1.091 676 I CA 1.473 62.829 61.300 0.093 0.000 1.368 676 I CB -1.005 37.032 38.000 0.063 0.000 1.058 676 I HN 0.393 nan 8.210 nan 0.000 0.410 677 Q N 0.137 119.982 119.800 0.075 0.000 2.436 677 Q HA -0.116 4.223 4.340 -0.002 0.000 0.209 677 Q C 2.073 178.099 176.000 0.044 0.000 0.965 677 Q CA 0.623 56.460 55.803 0.055 0.000 0.910 677 Q CB 0.096 28.849 28.738 0.026 0.000 0.980 677 Q HN 0.408 nan 8.270 nan 0.000 0.491 678 K N -0.081 120.350 120.400 0.052 0.000 2.057 678 K HA -0.196 4.123 4.320 -0.002 0.000 0.207 678 K C 1.861 178.506 176.600 0.076 0.000 1.049 678 K CA 1.308 57.619 56.287 0.039 0.000 0.931 678 K CB -0.109 32.401 32.500 0.018 0.000 0.714 678 K HN 0.234 nan 8.250 nan 0.000 0.440 679 Y N 1.641 121.947 120.300 0.009 0.000 2.242 679 Y HA -0.113 4.436 4.550 -0.002 0.000 0.291 679 Y C 1.385 177.296 175.900 0.019 0.000 1.137 679 Y CA 1.453 59.569 58.100 0.027 0.000 1.181 679 Y CB 0.182 38.670 38.460 0.047 0.000 0.989 679 Y HN -0.157 nan 8.280 nan 0.000 0.527 680 K N 0.643 121.009 120.400 -0.055 0.000 2.525 680 K HA -0.004 4.315 4.320 -0.002 0.000 0.192 680 K C -0.117 176.402 176.600 -0.136 0.000 1.029 680 K CA 0.131 56.330 56.287 -0.148 0.000 1.029 680 K CB -0.035 32.464 32.500 -0.001 0.000 0.814 680 K HN 0.364 nan 8.250 nan 0.000 0.503 681 N N -1.338 117.295 118.700 -0.111 0.000 3.470 681 N HA 0.165 4.904 4.740 -0.002 0.000 0.361 681 N C 0.807 176.268 175.510 -0.082 0.000 1.536 681 N CA -0.248 52.753 53.050 -0.081 0.000 0.642 681 N CB -0.454 38.007 38.487 -0.044 0.000 2.002 681 N HN -0.011 nan 8.380 nan 0.000 0.620 682 G N 0.639 109.408 108.800 -0.052 0.000 2.713 682 G HA2 -0.122 3.837 3.960 -0.002 0.000 0.170 682 G HA3 -0.122 3.837 3.960 -0.002 0.000 0.170 682 G C -0.389 174.493 174.900 -0.031 0.000 1.724 682 G CA 0.423 45.498 45.100 -0.041 0.000 0.892 682 G HN 0.690 nan 8.290 nan 0.000 0.376 683 E N 1.011 121.199 120.200 -0.020 0.000 1.456 683 E HA -0.228 4.120 4.350 -0.002 0.000 0.167 683 E C 1.288 177.887 176.600 -0.002 0.000 1.030 683 E CA 0.452 56.843 56.400 -0.014 0.000 0.494 683 E CB -1.296 28.392 29.700 -0.020 0.000 1.038 683 E HN 0.313 nan 8.360 nan 0.000 0.257 684 L N 0.734 121.964 121.223 0.011 0.000 2.056 684 L HA -0.076 4.263 4.340 -0.002 0.000 0.207 684 L C 1.017 177.938 176.870 0.085 0.000 1.078 684 L CA 1.508 56.381 54.840 0.055 0.000 0.749 684 L CB -0.629 41.461 42.059 0.051 0.000 0.901 684 L HN 0.311 nan 8.230 nan 0.000 0.433 685 E N 0.393 120.623 120.200 0.051 0.000 2.369 685 E HA -0.176 4.173 4.350 -0.002 0.000 0.165 685 E C -2.204 174.510 176.600 0.190 0.000 1.622 685 E CA -0.233 56.201 56.400 0.057 0.000 0.660 685 E CB -1.129 28.527 29.700 -0.074 0.000 1.085 685 E HN 0.286 nan 8.360 nan 0.000 0.346 686 P HA 0.283 nan 4.420 nan 0.000 0.288 686 P C 0.018 177.409 177.300 0.153 0.000 1.267 686 P CA -0.281 62.923 63.100 0.172 0.000 0.815 686 P CB 0.720 32.484 31.700 0.107 0.000 0.989 687 I N 5.002 125.639 120.570 0.112 0.000 2.325 687 I HA 0.187 4.356 4.170 -0.002 0.000 0.291 687 I C -1.444 174.687 176.117 0.023 0.000 1.019 687 I CA -2.136 59.194 61.300 0.051 0.000 1.302 687 I CB 0.899 38.857 38.000 -0.070 0.000 1.401 687 I HN 0.171 nan 8.210 nan 0.000 0.485 688 P HA 0.101 nan 4.420 nan 0.000 0.231 688 P C 0.526 177.828 177.300 0.003 0.000 1.756 688 P CA 0.253 63.364 63.100 0.017 0.000 0.990 688 P CB 0.169 31.881 31.700 0.021 0.000 1.973 689 G N 0.547 109.342 108.800 -0.008 0.000 2.613 689 G HA2 0.084 4.043 3.960 -0.002 0.000 0.208 689 G HA3 0.084 4.043 3.960 -0.002 0.000 0.208 689 G C 1.316 176.205 174.900 -0.018 0.000 1.318 689 G CA 0.158 45.247 45.100 -0.018 0.000 0.559 689 G HN 0.268 nan 8.290 nan 0.000 1.015 690 R N -0.982 119.505 120.500 -0.022 0.000 5.328 690 R HA 0.384 4.723 4.340 -0.002 0.000 0.106 690 R C -0.552 175.745 176.300 -0.005 0.000 1.206 690 R CA 1.081 57.172 56.100 -0.016 0.000 0.839 690 R CB 0.126 30.409 30.300 -0.028 0.000 1.258 690 R HN 0.222 nan 8.270 nan 0.000 0.391 691 T N 0.628 115.177 114.554 -0.008 0.000 2.906 691 T HA 0.362 4.711 4.350 -0.002 0.000 0.295 691 T C 0.450 175.172 174.700 0.035 0.000 1.061 691 T CA -0.594 61.515 62.100 0.016 0.000 1.000 691 T CB 1.973 70.850 68.868 0.015 0.000 1.103 691 T HN 0.058 nan 8.240 nan 0.000 0.486 692 L N 0.820 122.092 121.223 0.081 0.000 2.093 692 L HA 0.041 4.380 4.340 -0.002 0.000 0.208 692 L C 2.436 179.430 176.870 0.207 0.000 1.085 692 L CA 1.656 56.586 54.840 0.150 0.000 0.755 692 L CB -0.598 41.559 42.059 0.162 0.000 0.904 692 L HN 0.716 nan 8.230 nan 0.000 0.435 693 E N -0.644 119.649 120.200 0.156 0.000 2.158 693 E HA -0.182 4.167 4.350 -0.002 0.000 0.191 693 E C 1.973 178.515 176.600 -0.098 0.000 0.982 693 E CA 0.724 57.142 56.400 0.031 0.000 0.823 693 E CB -0.012 29.733 29.700 0.074 0.000 0.766 693 E HN 0.504 nan 8.360 nan 0.000 0.468 694 E N 0.928 121.101 120.200 -0.045 0.000 2.158 694 E HA -0.114 4.235 4.350 -0.002 0.000 0.191 694 E C 2.008 178.535 176.600 -0.121 0.000 0.982 694 E CA 1.024 57.380 56.400 -0.073 0.000 0.823 694 E CB 0.189 29.860 29.700 -0.048 0.000 0.766 694 E HN 0.184 nan 8.360 nan 0.000 0.468 695 S N 1.175 116.801 115.700 -0.122 0.000 2.423 695 S HA -0.122 4.347 4.470 -0.002 0.000 0.231 695 S C 2.067 176.488 174.600 -0.298 0.000 1.014 695 S CA 0.451 58.487 58.200 -0.274 0.000 0.965 695 S CB -0.290 62.810 63.200 -0.168 0.000 0.785 695 S HN 0.322 nan 8.310 nan 0.000 0.495 696 L N 1.517 122.710 121.223 -0.050 0.000 2.046 696 L HA -0.063 4.276 4.340 -0.002 0.000 0.208 696 L C 2.427 179.291 176.870 -0.009 0.000 1.077 696 L CA 2.085 56.957 54.840 0.053 0.000 0.747 696 L CB -0.985 40.938 42.059 -0.225 0.000 0.896 696 L HN 0.315 nan 8.230 nan 0.000 0.432 697 E N -0.067 120.075 120.200 -0.098 0.000 2.072 697 E HA -0.222 4.127 4.350 -0.002 0.000 0.190 697 E C 1.917 178.468 176.600 -0.083 0.000 0.982 697 E CA 0.942 57.296 56.400 -0.076 0.000 0.803 697 E CB -0.357 29.297 29.700 -0.077 0.000 0.755 697 E HN 0.617 nan 8.360 nan 0.000 0.453 698 N N 0.150 118.750 118.700 -0.167 0.000 2.094 698 N HA -0.207 4.532 4.740 -0.002 0.000 0.191 698 N C 1.742 177.167 175.510 -0.141 0.000 1.023 698 N CA 1.171 54.100 53.050 -0.203 0.000 0.857 698 N CB -0.057 38.227 38.487 -0.338 0.000 1.013 698 N HN 0.122 nan 8.380 nan 0.000 0.426 699 Y N 1.215 121.498 120.300 -0.028 0.000 2.200 699 Y HA -0.001 4.548 4.550 -0.002 0.000 0.290 699 Y C 2.332 178.210 175.900 -0.038 0.000 1.137 699 Y CA 0.675 58.759 58.100 -0.026 0.000 1.163 699 Y CB -0.429 38.019 38.460 -0.019 0.000 0.988 699 Y HN 0.068 nan 8.280 nan 0.000 0.518 700 I N -0.674 119.963 120.570 0.111 0.000 2.614 700 I HA -0.254 3.915 4.170 -0.002 0.000 0.258 700 I C 1.844 177.954 176.117 -0.012 0.000 1.189 700 I CA 0.976 62.291 61.300 0.026 0.000 1.462 700 I CB -0.356 37.643 38.000 -0.002 0.000 1.092 700 I HN 0.189 nan 8.210 nan 0.000 0.442 701 L N 0.055 121.274 121.223 -0.006 0.000 2.156 701 L HA -0.170 4.169 4.340 -0.002 0.000 0.208 701 L C 2.162 179.028 176.870 -0.007 0.000 1.095 701 L CA 1.085 55.917 54.840 -0.014 0.000 0.770 701 L CB -0.478 41.570 42.059 -0.018 0.000 0.914 701 L HN 0.201 nan 8.230 nan 0.000 0.439 702 D N -0.506 119.901 120.400 0.012 0.000 2.149 702 D HA -0.139 4.500 4.640 -0.002 0.000 0.201 702 D C 2.030 178.333 176.300 0.005 0.000 0.972 702 D CA 1.344 55.355 54.000 0.019 0.000 0.835 702 D CB 0.189 41.020 40.800 0.051 0.000 0.966 702 D HN 0.099 nan 8.370 nan 0.000 0.476 703 T N 0.125 114.678 114.554 -0.002 0.000 2.821 703 T HA -0.040 4.309 4.350 -0.002 0.000 0.267 703 T C 2.039 176.690 174.700 -0.082 0.000 1.046 703 T CA 0.612 62.693 62.100 -0.033 0.000 1.139 703 T CB -0.115 68.731 68.868 -0.037 0.000 0.871 703 T HN 0.155 nan 8.240 nan 0.000 0.454 704 L N 0.591 121.747 121.223 -0.112 0.000 2.179 704 L HA 0.004 4.343 4.340 -0.002 0.000 0.208 704 L C 2.480 179.318 176.870 -0.054 0.000 1.096 704 L CA 0.989 55.711 54.840 -0.197 0.000 0.779 704 L CB -0.341 41.572 42.059 -0.243 0.000 0.922 704 L HN 0.183 nan 8.230 nan 0.000 0.443 705 D N 0.102 120.496 120.400 -0.011 0.000 2.123 705 D HA -0.170 4.469 4.640 -0.002 0.000 0.200 705 D C 2.166 178.473 176.300 0.011 0.000 0.976 705 D CA 1.093 55.105 54.000 0.019 0.000 0.831 705 D CB 0.224 41.032 40.800 0.014 0.000 0.974 705 D HN -0.116 nan 8.370 nan 0.000 0.469 706 K N -0.260 120.138 120.400 -0.003 0.000 2.209 706 K HA -0.018 4.301 4.320 -0.002 0.000 0.204 706 K C 1.296 177.895 176.600 -0.003 0.000 1.048 706 K CA 0.594 56.880 56.287 -0.000 0.000 0.940 706 K CB -0.055 32.443 32.500 -0.003 0.000 0.729 706 K HN 0.326 nan 8.250 nan 0.000 0.451 707 L N 0.916 122.125 121.223 -0.022 0.000 2.872 707 L HA 0.159 4.498 4.340 -0.002 0.000 0.245 707 L C 1.394 178.273 176.870 0.014 0.000 1.211 707 L CA -0.204 54.621 54.840 -0.024 0.000 1.013 707 L CB 0.229 42.246 42.059 -0.069 0.000 1.326 707 L HN 0.022 nan 8.230 nan 0.000 0.525 708 R N -1.847 118.686 120.500 0.055 0.000 2.257 708 R HA 0.086 4.425 4.340 -0.002 0.000 0.195 708 R C 1.949 178.283 176.300 0.057 0.000 0.921 708 R CA 0.903 57.072 56.100 0.114 0.000 1.069 708 R CB -0.659 29.748 30.300 0.179 0.000 1.115 708 R HN 0.102 nan 8.270 nan 0.000 0.571 709 S N -0.123 115.600 115.700 0.039 0.000 2.428 709 S HA -0.063 4.406 4.470 -0.002 0.000 0.230 709 S C 1.524 176.144 174.600 0.032 0.000 1.014 709 S CA 1.148 59.366 58.200 0.030 0.000 0.957 709 S CB -0.574 62.640 63.200 0.024 0.000 0.784 709 S HN 0.345 nan 8.310 nan 0.000 0.499 710 T N 2.727 117.299 114.554 0.031 0.000 2.788 710 T HA 0.079 4.428 4.350 -0.002 0.000 0.268 710 T C 2.132 176.851 174.700 0.032 0.000 1.044 710 T CA 1.325 63.444 62.100 0.030 0.000 1.139 710 T CB -0.642 68.240 68.868 0.023 0.000 0.867 710 T HN 0.629 nan 8.240 nan 0.000 0.454 711 A N 1.237 124.078 122.820 0.035 0.000 2.014 711 A HA 0.242 4.561 4.320 -0.002 0.000 0.218 711 A C 2.580 180.180 177.584 0.028 0.000 1.163 711 A CA 1.479 53.531 52.037 0.026 0.000 0.652 711 A CB -1.110 17.911 19.000 0.035 0.000 0.808 711 A HN 0.504 nan 8.150 nan 0.000 0.449 712 G N -0.228 108.593 108.800 0.035 0.000 2.408 712 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.217 712 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.217 712 G C 1.095 176.034 174.900 0.065 0.000 1.150 712 G CA 1.162 46.289 45.100 0.046 0.000 0.776 712 G HN 0.440 nan 8.290 nan 0.000 0.542 713 D N 0.561 120.997 120.400 0.060 0.000 2.117 713 D HA -0.040 4.599 4.640 -0.002 0.000 0.198 713 D C 2.523 178.881 176.300 0.096 0.000 0.982 713 D CA 0.437 54.481 54.000 0.074 0.000 0.828 713 D CB -0.129 40.708 40.800 0.062 0.000 0.967 713 D HN 0.366 nan 8.370 nan 0.000 0.464 714 I N 0.634 121.252 120.570 0.080 0.000 2.252 714 I HA -0.171 3.998 4.170 -0.002 0.000 0.245 714 I C 1.950 178.136 176.117 0.114 0.000 1.102 714 I CA 0.947 62.305 61.300 0.096 0.000 1.385 714 I CB -0.143 37.855 38.000 -0.003 0.000 1.064 714 I HN -0.081 nan 8.210 nan 0.000 0.414 715 A N -0.854 122.010 122.820 0.073 0.000 2.276 715 A HA 0.128 4.447 4.320 -0.002 0.000 0.212 715 A C 1.978 179.617 177.584 0.091 0.000 1.230 715 A CA 0.601 52.679 52.037 0.068 0.000 0.844 715 A CB -0.232 18.795 19.000 0.045 0.000 0.860 715 A HN 0.310 nan 8.150 nan 0.000 0.486 716 S N -1.318 114.450 115.700 0.113 0.000 2.593 716 S HA 0.116 4.585 4.470 -0.002 0.000 0.235 716 S C 1.491 176.108 174.600 0.029 0.000 1.059 716 S CA 0.252 58.535 58.200 0.138 0.000 0.953 716 S CB 0.309 63.658 63.200 0.247 0.000 0.897 716 S HN 0.477 nan 8.310 nan 0.000 0.507 717 K N -0.028 120.407 120.400 0.057 0.000 2.365 717 K HA 0.337 4.656 4.320 -0.002 0.000 0.195 717 K C 0.388 176.924 176.600 -0.106 0.000 1.079 717 K CA 0.450 56.727 56.287 -0.016 0.000 0.979 717 K CB 0.007 32.512 32.500 0.009 0.000 0.929 717 K HN 0.239 nan 8.250 nan 0.000 0.523 718 Y N 0.122 120.396 120.300 -0.044 0.000 2.468 718 Y HA 0.305 4.854 4.550 -0.002 0.000 0.268 718 Y C 0.042 175.900 175.900 -0.071 0.000 1.177 718 Y CA -0.205 57.867 58.100 -0.046 0.000 1.265 718 Y CB 0.496 38.936 38.460 -0.032 0.000 1.103 718 Y HN -0.089 nan 8.280 nan 0.000 0.522 719 L N -0.113 121.098 121.223 -0.020 0.000 2.346 719 L HA 0.378 4.717 4.340 -0.002 0.000 0.274 719 L C -0.549 176.173 176.870 -0.246 0.000 1.007 719 L CA -1.128 53.647 54.840 -0.107 0.000 0.818 719 L CB 1.179 43.167 42.059 -0.118 0.000 1.284 719 L HN -0.169 nan 8.230 nan 0.000 0.424 720 D N 5.132 125.428 120.400 -0.173 0.000 2.570 720 D HA -0.002 4.637 4.640 -0.002 0.000 0.243 720 D C -1.791 174.330 176.300 -0.299 0.000 1.171 720 D CA -0.993 52.922 54.000 -0.142 0.000 0.879 720 D CB 1.201 41.974 40.800 -0.045 0.000 1.143 720 D HN 0.274 nan 8.370 nan 0.000 0.511 721 P HA 0.003 nan 4.420 nan 0.000 0.230 721 P C 0.322 177.568 177.300 -0.090 0.000 1.158 721 P CA 0.687 63.639 63.100 -0.247 0.000 0.769 721 P CB 0.096 31.794 31.700 -0.002 0.000 0.807 722 F N -0.895 119.025 119.950 -0.050 0.000 2.688 722 F HA 0.158 4.684 4.527 -0.002 0.000 0.310 722 F C 1.165 176.904 175.800 -0.102 0.000 1.098 722 F CA -0.733 57.255 58.000 -0.021 0.000 1.228 722 F CB -0.121 38.862 39.000 -0.028 0.000 1.042 722 F HN -0.110 nan 8.300 nan 0.000 0.557 723 N N -0.527 118.191 118.700 0.030 0.000 2.513 723 N HA 0.021 4.760 4.740 -0.002 0.000 0.274 723 N C 0.798 176.294 175.510 -0.023 0.000 1.189 723 N CA -0.375 52.639 53.050 -0.059 0.000 0.975 723 N CB 0.764 39.279 38.487 0.046 0.000 1.157 723 N HN -0.042 nan 8.380 nan 0.000 0.465 724 F N 0.745 120.678 119.950 -0.029 0.000 2.087 724 F HA -0.234 4.292 4.527 -0.002 0.000 0.299 724 F C 2.696 178.488 175.800 -0.013 0.000 1.100 724 F CA 2.052 59.964 58.000 -0.147 0.000 1.226 724 F CB -0.772 37.961 39.000 -0.446 0.000 0.983 724 F HN 0.707 nan 8.300 nan 0.000 0.479 725 A N -1.700 121.250 122.820 0.216 0.000 2.015 725 A HA -0.199 4.120 4.320 -0.002 0.000 0.219 725 A C 1.973 179.652 177.584 0.158 0.000 1.163 725 A CA 1.230 53.364 52.037 0.162 0.000 0.646 725 A CB -1.119 17.962 19.000 0.136 0.000 0.806 725 A HN 0.519 nan 8.150 nan 0.000 0.448 726 Y N -0.703 119.613 120.300 0.026 0.000 2.397 726 Y HA 0.031 4.580 4.550 -0.002 0.000 0.292 726 Y C 2.237 178.095 175.900 -0.070 0.000 1.115 726 Y CA 1.141 59.228 58.100 -0.022 0.000 1.208 726 Y CB 0.263 38.703 38.460 -0.034 0.000 1.046 726 Y HN 0.066 nan 8.280 nan 0.000 0.552 727 V N -0.203 119.751 119.914 0.067 0.000 2.667 727 V HA -0.297 3.822 4.120 -0.002 0.000 0.252 727 V C 2.239 178.295 176.094 -0.064 0.000 1.065 727 V CA 1.682 63.940 62.300 -0.071 0.000 1.083 727 V CB -0.506 31.329 31.823 0.019 0.000 0.692 727 V HN 0.403 nan 8.190 nan 0.000 0.468 728 M N 0.270 119.922 119.600 0.085 0.000 2.073 728 M HA -0.085 4.394 4.480 -0.002 0.000 0.258 728 M C 1.293 177.563 176.300 -0.051 0.000 1.070 728 M CA 1.937 57.288 55.300 0.086 0.000 1.103 728 M CB -0.510 32.169 32.600 0.133 0.000 1.321 728 M HN 0.346 nan 8.290 nan 0.000 0.405 729 A N -0.998 121.753 122.820 -0.114 0.000 2.296 729 A HA 0.397 4.715 4.320 -0.002 0.000 0.264 729 A C 0.810 178.251 177.584 -0.238 0.000 1.097 729 A CA 0.087 52.017 52.037 -0.178 0.000 0.811 729 A CB 0.173 19.029 19.000 -0.239 0.000 1.072 729 A HN 0.598 nan 8.150 nan 0.000 0.495 730 R N -1.947 118.429 120.500 -0.206 0.000 3.884 730 R HA -0.170 4.169 4.340 -0.002 0.000 0.464 730 R C 0.190 176.387 176.300 -0.172 0.000 0.963 730 R CA 1.736 57.722 56.100 -0.190 0.000 1.408 730 R CB -2.487 27.665 30.300 -0.246 0.000 2.054 730 R HN 1.297 nan 8.270 nan 0.000 0.522 731 T N -3.239 111.206 114.554 -0.181 0.000 3.734 731 T HA 0.480 4.829 4.350 -0.002 0.000 0.238 731 T C 0.844 175.489 174.700 -0.092 0.000 1.205 731 T CA 0.571 62.579 62.100 -0.155 0.000 1.606 731 T CB 1.034 69.709 68.868 -0.321 0.000 0.832 731 T HN 0.605 nan 8.240 nan 0.000 0.655 732 G N 2.563 111.327 108.800 -0.060 0.000 2.698 732 G HA2 0.026 3.984 3.960 -0.002 0.000 0.337 732 G HA3 0.026 3.984 3.960 -0.002 0.000 0.337 732 G C 0.757 175.635 174.900 -0.035 0.000 1.286 732 G CA 1.261 46.339 45.100 -0.037 0.000 1.000 732 G HN 2.298 nan 8.290 nan 0.000 0.547 733 A N -0.748 122.063 122.820 -0.017 0.000 2.203 733 A HA -0.016 4.303 4.320 -0.002 0.000 0.279 733 A C 1.051 178.642 177.584 0.011 0.000 1.396 733 A CA 2.386 54.421 52.037 -0.004 0.000 0.747 733 A CB -1.443 17.539 19.000 -0.031 0.000 1.151 733 A HN 2.008 nan 8.150 nan 0.000 0.345 734 R N -1.998 118.508 120.500 0.011 0.000 2.345 734 R HA -0.219 4.120 4.340 -0.002 0.000 0.283 734 R C 1.221 177.525 176.300 0.005 0.000 1.032 734 R CA 1.110 57.217 56.100 0.011 0.000 0.946 734 R CB -1.332 28.983 30.300 0.024 0.000 2.534 734 R HN 1.452 nan 8.270 nan 0.000 0.523 735 G N 0.030 108.821 108.800 -0.016 0.000 2.682 735 G HA2 -0.002 3.956 3.960 -0.002 0.000 0.200 735 G HA3 -0.002 3.956 3.960 -0.002 0.000 0.200 735 G C 0.159 175.036 174.900 -0.038 0.000 1.179 735 G CA 0.529 45.608 45.100 -0.036 0.000 0.718 735 G HN 0.671 nan 8.290 nan 0.000 0.685 736 S N 0.001 115.678 115.700 -0.039 0.000 3.711 736 S HA -0.232 4.237 4.470 -0.002 0.000 0.374 736 S C 1.877 176.453 174.600 -0.039 0.000 0.969 736 S CA 1.216 59.398 58.200 -0.030 0.000 1.198 736 S CB -1.813 61.381 63.200 -0.010 0.000 0.903 736 S HN 1.778 nan 8.310 nan 0.000 0.493 737 V N -0.365 119.506 119.914 -0.071 0.000 2.322 737 V HA -0.280 3.839 4.120 -0.002 0.000 0.258 737 V C 1.725 177.795 176.094 -0.040 0.000 1.102 737 V CA 2.298 64.544 62.300 -0.089 0.000 1.106 737 V CB -0.864 30.906 31.823 -0.088 0.000 0.784 737 V HN 0.720 nan 8.190 nan 0.000 0.461 738 L N 2.441 123.652 121.223 -0.020 0.000 2.805 738 L HA 0.257 4.596 4.340 -0.002 0.000 0.237 738 L C 1.306 178.183 176.870 0.012 0.000 1.252 738 L CA 1.168 56.007 54.840 -0.001 0.000 1.064 738 L CB -0.860 41.197 42.059 -0.003 0.000 1.361 738 L HN 0.931 nan 8.230 nan 0.000 0.474 739 N N -1.676 117.036 118.700 0.021 0.000 2.113 739 N HA -0.028 4.711 4.740 -0.002 0.000 0.223 739 N C 1.192 176.746 175.510 0.072 0.000 1.310 739 N CA -0.121 52.961 53.050 0.053 0.000 0.896 739 N CB 0.152 38.672 38.487 0.054 0.000 1.097 739 N HN -0.025 nan 8.380 nan 0.000 0.507 740 I N 1.660 122.261 120.570 0.052 0.000 2.286 740 I HA -0.132 4.037 4.170 -0.002 0.000 0.248 740 I C 1.578 177.747 176.117 0.087 0.000 1.115 740 I CA 1.209 62.558 61.300 0.081 0.000 1.392 740 I CB -1.374 36.677 38.000 0.085 0.000 1.065 740 I HN 0.138 nan 8.210 nan 0.000 0.418 741 T N 0.714 115.305 114.554 0.062 0.000 2.720 741 T HA -0.235 4.114 4.350 -0.002 0.000 0.268 741 T C 1.921 176.626 174.700 0.009 0.000 1.037 741 T CA 1.392 63.514 62.100 0.037 0.000 1.144 741 T CB -0.218 68.662 68.868 0.019 0.000 0.864 741 T HN 0.406 nan 8.240 nan 0.000 0.444 742 Q N 0.117 119.931 119.800 0.024 0.000 2.050 742 Q HA 0.010 4.349 4.340 -0.002 0.000 0.202 742 Q C 2.441 178.482 176.000 0.069 0.000 0.980 742 Q CA 1.251 57.049 55.803 -0.008 0.000 0.840 742 Q CB -0.233 28.576 28.738 0.119 0.000 0.898 742 Q HN 0.547 nan 8.270 nan 0.000 0.424 743 M N -0.710 119.018 119.600 0.213 0.000 2.229 743 M HA -0.101 4.378 4.480 -0.002 0.000 0.264 743 M C 2.058 178.433 176.300 0.124 0.000 1.063 743 M CA 1.290 56.745 55.300 0.259 0.000 1.114 743 M CB -0.051 32.666 32.600 0.194 0.000 1.387 743 M HN 0.201 nan 8.290 nan 0.000 0.420 744 A N -0.196 122.669 122.820 0.075 0.000 1.919 744 A HA 0.386 4.705 4.320 -0.002 0.000 0.211 744 A C 2.161 179.747 177.584 0.003 0.000 1.310 744 A CA 0.900 52.965 52.037 0.047 0.000 0.651 744 A CB -0.802 18.236 19.000 0.064 0.000 0.996 744 A HN 0.349 nan 8.150 nan 0.000 0.479 745 A N -0.160 122.653 122.820 -0.011 0.000 1.878 745 A HA 0.548 4.867 4.320 -0.002 0.000 0.215 745 A C 0.938 178.478 177.584 -0.074 0.000 1.310 745 A CA 1.549 53.563 52.037 -0.038 0.000 0.612 745 A CB -0.352 18.636 19.000 -0.020 0.000 0.989 745 A HN 0.963 nan 8.150 nan 0.000 0.472 746 M N -2.922 116.609 119.600 -0.114 0.000 2.603 746 M HA 0.451 4.930 4.480 -0.002 0.000 0.275 746 M C -0.735 175.368 176.300 -0.329 0.000 1.226 746 M CA -0.551 54.620 55.300 -0.215 0.000 0.870 746 M CB 1.521 34.018 32.600 -0.172 0.000 1.716 746 M HN 0.064 nan 8.290 nan 0.000 0.482 747 L N 0.961 121.882 121.223 -0.504 0.000 2.209 747 L HA 0.381 4.719 4.340 -0.002 0.000 0.207 747 L C 1.164 177.726 176.870 -0.514 0.000 1.094 747 L CA 1.283 55.783 54.840 -0.567 0.000 0.790 747 L CB -0.719 40.896 42.059 -0.740 0.000 0.932 747 L HN 1.167 nan 8.230 nan 0.000 0.447 748 G N 0.382 108.716 108.800 -0.777 0.000 2.698 748 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.225 748 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.225 748 G C -0.476 173.978 174.900 -0.743 0.000 1.345 748 G CA -0.353 44.269 45.100 -0.796 0.000 0.871 748 G HN 0.250 nan 8.290 nan 0.000 0.540 749 Q N 0.707 120.376 119.800 -0.218 0.000 2.323 749 Q HA 0.466 4.805 4.340 -0.002 0.000 0.257 749 Q C 0.673 176.627 176.000 -0.078 0.000 1.022 749 Q CA 0.033 55.813 55.803 -0.039 0.000 0.919 749 Q CB 0.460 29.299 28.738 0.168 0.000 1.220 749 Q HN 0.511 nan 8.270 nan 0.000 0.427 750 Q N 2.005 121.747 119.800 -0.096 0.000 2.373 750 Q HA 0.368 4.707 4.340 -0.002 0.000 0.255 750 Q C -0.605 175.416 176.000 0.036 0.000 0.980 750 Q CA 0.082 55.880 55.803 -0.009 0.000 0.882 750 Q CB 1.324 30.100 28.738 0.064 0.000 1.249 750 Q HN 0.843 nan 8.270 nan 0.000 0.438 751 S N -1.075 114.656 115.700 0.051 0.000 2.579 751 S HA 0.716 5.185 4.470 -0.002 0.000 0.272 751 S C -0.647 173.983 174.600 0.049 0.000 1.141 751 S CA -0.948 57.281 58.200 0.049 0.000 0.843 751 S CB 1.525 64.742 63.200 0.028 0.000 1.122 751 S HN 0.441 nan 8.310 nan 0.000 0.468 752 V N -1.145 118.795 119.914 0.044 0.000 2.525 752 V HA 0.707 4.826 4.120 -0.002 0.000 0.299 752 V C 0.063 176.169 176.094 0.020 0.000 1.034 752 V CA -1.154 61.164 62.300 0.031 0.000 0.863 752 V CB 0.788 32.632 31.823 0.034 0.000 0.999 752 V HN 1.076 nan 8.190 nan 0.000 0.423 753 R N 3.581 124.088 120.500 0.011 0.000 3.158 753 R HA -0.212 4.127 4.340 -0.002 0.000 0.244 753 R C 1.331 177.633 176.300 0.004 0.000 0.900 753 R CA 1.027 57.130 56.100 0.005 0.000 0.618 753 R CB -1.511 28.790 30.300 0.002 0.000 1.061 753 R HN 2.013 nan 8.270 nan 0.000 0.471 754 G N -0.850 107.953 108.800 0.004 0.000 3.922 754 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.208 754 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.208 754 G C -0.010 174.891 174.900 0.002 0.000 1.491 754 G CA 0.267 45.367 45.100 -0.000 0.000 1.017 754 G HN 0.396 nan 8.290 nan 0.000 0.603 755 E N 1.202 121.406 120.200 0.007 0.000 2.302 755 E HA 0.744 5.093 4.350 -0.002 0.000 0.255 755 E C 1.015 177.630 176.600 0.024 0.000 1.099 755 E CA -0.661 55.744 56.400 0.009 0.000 0.929 755 E CB 0.429 30.134 29.700 0.007 0.000 1.203 755 E HN 0.536 nan 8.360 nan 0.000 0.459 756 R N 0.182 120.698 120.500 0.026 0.000 2.738 756 R HA 0.277 4.616 4.340 -0.002 0.000 0.275 756 R C 0.082 176.430 176.300 0.079 0.000 1.121 756 R CA -0.375 55.751 56.100 0.043 0.000 1.207 756 R CB 0.134 30.451 30.300 0.029 0.000 1.141 756 R HN 0.438 nan 8.270 nan 0.000 0.571 757 I N 2.193 122.839 120.570 0.128 0.000 2.406 757 I HA -0.015 4.154 4.170 -0.002 0.000 0.293 757 I C 1.145 177.392 176.117 0.217 0.000 1.101 757 I CA 0.702 62.129 61.300 0.212 0.000 1.334 757 I CB 0.376 38.621 38.000 0.409 0.000 1.421 757 I HN 0.470 nan 8.210 nan 0.000 0.513 758 K N 4.434 124.920 120.400 0.143 0.000 2.435 758 K HA 0.211 4.530 4.320 -0.002 0.000 0.199 758 K C 0.765 177.414 176.600 0.082 0.000 1.153 758 K CA -0.323 56.033 56.287 0.115 0.000 0.974 758 K CB 0.605 33.148 32.500 0.070 0.000 0.997 758 K HN 0.395 nan 8.250 nan 0.000 0.547 759 R N 1.073 121.613 120.500 0.066 0.000 2.351 759 R HA 0.165 4.504 4.340 -0.002 0.000 0.318 759 R C -0.065 176.226 176.300 -0.016 0.000 1.055 759 R CA 0.390 56.503 56.100 0.021 0.000 0.968 759 R CB 0.565 30.875 30.300 0.017 0.000 0.974 759 R HN 0.317 nan 8.270 nan 0.000 0.439 760 G N 2.542 111.297 108.800 -0.076 0.000 2.539 760 G HA2 0.012 3.971 3.960 -0.002 0.000 0.138 760 G HA3 0.012 3.971 3.960 -0.002 0.000 0.138 760 G C -1.542 173.218 174.900 -0.234 0.000 1.148 760 G CA -0.709 44.251 45.100 -0.232 0.000 1.057 760 G HN 0.398 nan 8.290 nan 0.000 0.511 761 Y N 1.011 121.274 120.300 -0.061 0.000 2.357 761 Y HA 0.383 4.932 4.550 -0.002 0.000 0.340 761 Y C 2.367 178.228 175.900 -0.066 0.000 1.260 761 Y CA 0.049 58.108 58.100 -0.068 0.000 1.425 761 Y CB 0.554 38.958 38.460 -0.094 0.000 1.326 761 Y HN 0.321 nan 8.280 nan 0.000 0.580 762 M N 0.236 119.900 119.600 0.107 0.000 2.435 762 M HA -0.153 4.326 4.480 -0.002 0.000 0.262 762 M C 0.943 177.200 176.300 -0.071 0.000 1.065 762 M CA 1.731 57.039 55.300 0.013 0.000 1.076 762 M CB -0.507 32.102 32.600 0.014 0.000 1.403 762 M HN 0.785 nan 8.290 nan 0.000 0.454 763 T N -1.290 113.220 114.554 -0.073 0.000 3.071 763 T HA 0.201 4.550 4.350 -0.002 0.000 0.239 763 T C 0.471 175.089 174.700 -0.137 0.000 0.997 763 T CA 0.176 62.136 62.100 -0.233 0.000 1.134 763 T CB 0.269 69.029 68.868 -0.181 0.000 0.928 763 T HN 0.220 nan 8.240 nan 0.000 0.453 764 R N 0.376 120.886 120.500 0.017 0.000 2.888 764 R HA 0.682 5.021 4.340 -0.002 0.000 0.264 764 R C 0.637 177.024 176.300 0.146 0.000 1.045 764 R CA -0.589 55.575 56.100 0.107 0.000 0.962 764 R CB -0.080 30.311 30.300 0.151 0.000 1.210 764 R HN -0.164 nan 8.270 nan 0.000 0.479 765 T N -0.115 114.538 114.554 0.166 0.000 2.937 765 T HA 0.194 4.543 4.350 -0.002 0.000 0.260 765 T C 0.301 174.961 174.700 -0.065 0.000 1.051 765 T CA 0.842 62.995 62.100 0.088 0.000 1.141 765 T CB 0.100 69.109 68.868 0.234 0.000 0.879 765 T HN -0.018 nan 8.240 nan 0.000 0.459 766 L N 0.979 122.122 121.223 -0.133 0.000 2.333 766 L HA 0.418 4.757 4.340 -0.002 0.000 0.263 766 L C -2.176 174.514 176.870 -0.300 0.000 1.014 766 L CA -2.443 52.229 54.840 -0.280 0.000 0.820 766 L CB 1.497 43.292 42.059 -0.441 0.000 1.352 766 L HN -0.158 nan 8.230 nan 0.000 0.421 767 P HA 0.145 nan 4.420 nan 0.000 0.249 767 P C -0.094 176.786 177.300 -0.701 0.000 1.593 767 P CA 0.318 63.080 63.100 -0.563 0.000 0.896 767 P CB -0.201 31.153 31.700 -0.577 0.000 1.581 768 H N -2.139 116.757 119.070 -0.289 0.000 2.923 768 H HA 0.318 4.873 4.556 -0.002 0.000 0.268 768 H C -0.140 175.266 175.328 0.130 0.000 1.148 768 H CA -0.216 55.741 56.048 -0.152 0.000 1.146 768 H CB 0.065 29.715 29.762 -0.186 0.000 1.607 768 H HN 0.012 nan 8.280 nan 0.000 0.566 769 F N 1.393 121.416 119.950 0.122 0.000 2.508 769 F HA 0.418 4.944 4.527 -0.002 0.000 0.325 769 F C 0.422 176.262 175.800 0.067 0.000 1.090 769 F CA -1.912 56.157 58.000 0.114 0.000 0.945 769 F CB 1.274 40.362 39.000 0.145 0.000 1.156 769 F HN -0.183 nan 8.300 nan 0.000 0.463 770 K N 2.900 123.462 120.400 0.269 0.000 2.401 770 K HA 0.192 4.510 4.320 -0.002 0.000 0.278 770 K C -2.408 174.290 176.600 0.163 0.000 1.018 770 K CA -1.368 55.018 56.287 0.164 0.000 0.981 770 K CB 0.100 32.677 32.500 0.127 0.000 0.933 770 K HN 0.212 nan 8.250 nan 0.000 0.477 771 P HA -0.158 nan 4.420 nan 0.000 0.259 771 P C -1.145 176.313 177.300 0.265 0.000 1.163 771 P CA 0.782 63.963 63.100 0.136 0.000 0.760 771 P CB -0.005 31.803 31.700 0.179 0.000 0.762 772 Y N -0.534 119.819 120.300 0.089 0.000 3.233 772 Y HA -0.219 4.330 4.550 -0.002 0.000 0.201 772 Y C 0.491 176.437 175.900 0.078 0.000 1.486 772 Y CA 0.525 58.673 58.100 0.080 0.000 1.326 772 Y CB -1.750 36.749 38.460 0.066 0.000 1.460 772 Y HN 0.400 nan 8.280 nan 0.000 0.512 773 D N 0.991 121.494 120.400 0.171 0.000 2.256 773 D HA 0.528 5.167 4.640 -0.002 0.000 0.240 773 D C 0.658 177.015 176.300 0.094 0.000 1.062 773 D CA -0.365 53.709 54.000 0.124 0.000 0.832 773 D CB 0.820 41.688 40.800 0.115 0.000 1.135 773 D HN 0.383 nan 8.370 nan 0.000 0.484 774 I N 1.670 122.277 120.570 0.061 0.000 4.154 774 I HA -0.029 4.139 4.170 -0.002 0.000 0.334 774 I C 1.032 177.149 176.117 -0.001 0.000 1.371 774 I CA -0.193 61.128 61.300 0.035 0.000 1.110 774 I CB 0.351 38.367 38.000 0.027 0.000 1.085 774 I HN 0.210 nan 8.210 nan 0.000 0.398 775 S N 1.576 117.264 115.700 -0.020 0.000 2.563 775 S HA 0.113 4.582 4.470 -0.002 0.000 0.284 775 S C -1.565 173.000 174.600 -0.058 0.000 1.331 775 S CA -0.809 57.364 58.200 -0.045 0.000 1.047 775 S CB 0.512 63.672 63.200 -0.067 0.000 0.859 775 S HN -0.072 nan 8.310 nan 0.000 0.514 776 P HA -0.164 nan 4.420 nan 0.000 0.216 776 P C 1.114 178.407 177.300 -0.011 0.000 1.154 776 P CA 1.591 64.662 63.100 -0.048 0.000 0.865 776 P CB -0.030 31.618 31.700 -0.087 0.000 0.789 777 E N -0.181 120.033 120.200 0.024 0.000 2.051 777 E HA -0.115 4.234 4.350 -0.002 0.000 0.192 777 E C 1.949 178.417 176.600 -0.220 0.000 0.991 777 E CA 1.556 57.951 56.400 -0.009 0.000 0.799 777 E CB -1.249 28.420 29.700 -0.052 0.000 0.748 777 E HN 0.180 nan 8.360 nan 0.000 0.449 778 A N 0.305 122.943 122.820 -0.303 0.000 2.261 778 A HA 0.061 4.380 4.320 -0.002 0.000 0.208 778 A C 1.109 178.805 177.584 0.186 0.000 1.223 778 A CA 0.317 52.237 52.037 -0.195 0.000 0.833 778 A CB 0.041 18.857 19.000 -0.307 0.000 0.830 778 A HN -0.050 nan 8.150 nan 0.000 0.483 779 R N -2.110 118.353 120.500 -0.061 0.000 2.539 779 R HA 0.228 4.567 4.340 -0.002 0.000 0.342 779 R C 0.945 177.086 176.300 -0.265 0.000 0.941 779 R CA 0.839 56.932 56.100 -0.011 0.000 1.146 779 R CB 0.539 30.855 30.300 0.026 0.000 1.541 779 R HN 0.729 nan 8.270 nan 0.000 0.525 780 G N 0.926 109.277 108.800 -0.749 0.000 2.370 780 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.174 780 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.174 780 G C -0.349 174.294 174.900 -0.427 0.000 1.002 780 G CA -0.568 43.993 45.100 -0.897 0.000 0.730 780 G HN 0.171 nan 8.290 nan 0.000 0.497 781 F N 2.687 122.393 119.950 -0.406 0.000 2.471 781 F HA 0.651 5.177 4.527 -0.002 0.000 0.365 781 F C 0.504 176.076 175.800 -0.381 0.000 1.095 781 F CA -0.564 57.215 58.000 -0.369 0.000 1.174 781 F CB 0.323 39.083 39.000 -0.400 0.000 1.105 781 F HN 0.019 nan 8.300 nan 0.000 0.535 782 I N 8.346 128.379 120.570 -0.897 0.000 2.312 782 I HA 0.084 4.253 4.170 -0.002 0.000 0.290 782 I C -0.150 175.527 176.117 -0.733 0.000 1.008 782 I CA -0.298 60.671 61.300 -0.552 0.000 1.226 782 I CB 0.913 38.662 38.000 -0.418 0.000 1.371 782 I HN 0.695 nan 8.210 nan 0.000 0.468 783 Y N 3.064 123.259 120.300 -0.175 0.000 2.337 783 Y HA -0.073 4.476 4.550 -0.002 0.000 0.293 783 Y C 1.883 177.738 175.900 -0.074 0.000 1.123 783 Y CA 0.321 58.410 58.100 -0.019 0.000 1.201 783 Y CB -0.038 38.509 38.460 0.145 0.000 1.011 783 Y HN 0.582 nan 8.280 nan 0.000 0.545 784 S N 0.115 115.847 115.700 0.054 0.000 2.624 784 S HA 0.418 4.886 4.470 -0.002 0.000 0.263 784 S C 0.304 174.808 174.600 -0.160 0.000 1.287 784 S CA -0.438 57.759 58.200 -0.005 0.000 0.990 784 S CB 1.399 64.618 63.200 0.031 0.000 0.950 784 S HN 0.248 nan 8.310 nan 0.000 0.561 785 S N -0.371 115.242 115.700 -0.144 0.000 2.766 785 S HA 0.584 5.053 4.470 -0.002 0.000 0.307 785 S C 0.184 174.651 174.600 -0.222 0.000 1.121 785 S CA -0.856 57.190 58.200 -0.257 0.000 0.980 785 S CB -0.068 63.062 63.200 -0.117 0.000 1.159 785 S HN 0.515 nan 8.310 nan 0.000 0.546 786 F N 0.434 120.376 119.950 -0.012 0.000 2.546 786 F HA 0.188 4.714 4.527 -0.002 0.000 0.298 786 F C 2.613 178.424 175.800 0.019 0.000 1.120 786 F CA 0.275 58.282 58.000 0.011 0.000 1.456 786 F CB -0.428 38.581 39.000 0.014 0.000 1.088 786 F HN 0.395 nan 8.300 nan 0.000 0.572 787 R N 0.352 120.940 120.500 0.147 0.000 2.062 787 R HA -0.035 4.304 4.340 -0.002 0.000 0.226 787 R C 2.076 178.423 176.300 0.079 0.000 1.125 787 R CA 1.784 57.946 56.100 0.103 0.000 0.966 787 R CB -1.109 29.233 30.300 0.069 0.000 0.861 787 R HN 0.181 nan 8.270 nan 0.000 0.433 788 T N -0.773 113.815 114.554 0.057 0.000 2.812 788 T HA 0.177 4.526 4.350 -0.002 0.000 0.264 788 T C 0.779 175.518 174.700 0.065 0.000 1.042 788 T CA 1.064 63.198 62.100 0.056 0.000 1.140 788 T CB -0.246 68.653 68.868 0.052 0.000 0.870 788 T HN 0.519 nan 8.240 nan 0.000 0.445 789 G N 0.607 109.449 108.800 0.069 0.000 2.742 789 G HA2 0.020 3.979 3.960 -0.002 0.000 0.686 789 G HA3 0.020 3.979 3.960 -0.002 0.000 0.686 789 G C -0.975 173.967 174.900 0.070 0.000 1.220 789 G CA -1.139 44.013 45.100 0.087 0.000 0.783 789 G HN 0.365 nan 8.290 nan 0.000 0.646 790 L N 1.371 122.649 121.223 0.092 0.000 2.417 790 L HA 0.351 4.690 4.340 -0.002 0.000 0.268 790 L C 1.371 178.300 176.870 0.099 0.000 1.158 790 L CA -0.346 54.547 54.840 0.089 0.000 0.819 790 L CB 0.816 42.956 42.059 0.135 0.000 1.112 790 L HN 0.574 nan 8.230 nan 0.000 0.458 791 K N 2.530 122.997 120.400 0.111 0.000 2.168 791 K HA 0.136 4.455 4.320 -0.002 0.000 0.258 791 K C -1.527 175.139 176.600 0.111 0.000 1.010 791 K CA -1.439 54.911 56.287 0.106 0.000 0.929 791 K CB 0.872 33.447 32.500 0.126 0.000 0.998 791 K HN 0.255 nan 8.250 nan 0.000 0.479 792 P HA -0.207 nan 4.420 nan 0.000 0.216 792 P C 0.952 178.279 177.300 0.044 0.000 1.150 792 P CA 1.571 64.692 63.100 0.035 0.000 0.843 792 P CB 0.057 31.735 31.700 -0.037 0.000 0.787 793 T N -2.971 111.618 114.554 0.058 0.000 2.857 793 T HA -0.058 4.291 4.350 -0.002 0.000 0.266 793 T C 1.680 176.583 174.700 0.338 0.000 1.048 793 T CA 0.887 63.057 62.100 0.117 0.000 1.139 793 T CB -0.871 68.154 68.868 0.261 0.000 0.874 793 T HN 0.201 nan 8.240 nan 0.000 0.455 794 E N 0.796 121.235 120.200 0.398 0.000 2.150 794 E HA 0.002 4.351 4.350 -0.002 0.000 0.193 794 E C 1.986 178.800 176.600 0.357 0.000 0.985 794 E CA 0.670 57.343 56.400 0.455 0.000 0.814 794 E CB -0.243 29.606 29.700 0.248 0.000 0.752 794 E HN 0.287 nan 8.360 nan 0.000 0.466 795 L N 0.019 121.393 121.223 0.252 0.000 2.201 795 L HA -0.084 4.255 4.340 -0.002 0.000 0.212 795 L C 1.842 178.819 176.870 0.179 0.000 1.105 795 L CA 1.301 56.265 54.840 0.207 0.000 0.775 795 L CB -0.227 41.923 42.059 0.153 0.000 0.913 795 L HN 0.031 nan 8.230 nan 0.000 0.440 796 F N -1.266 118.690 119.950 0.010 0.000 2.187 796 F HA -0.135 4.391 4.527 -0.002 0.000 0.295 796 F C 1.968 177.735 175.800 -0.055 0.000 1.091 796 F CA 1.312 59.256 58.000 -0.093 0.000 1.308 796 F CB -0.265 38.590 39.000 -0.241 0.000 1.030 796 F HN 0.045 nan 8.300 nan 0.000 0.487 797 F N -0.489 119.611 119.950 0.249 0.000 2.102 797 F HA -0.216 4.310 4.527 -0.002 0.000 0.298 797 F C 2.699 178.571 175.800 0.121 0.000 1.105 797 F CA 1.961 60.065 58.000 0.173 0.000 1.239 797 F CB -1.256 37.853 39.000 0.180 0.000 0.991 797 F HN 0.070 nan 8.300 nan 0.000 0.474 798 H N 0.324 119.516 119.070 0.203 0.000 2.321 798 H HA -0.083 4.471 4.556 -0.002 0.000 0.300 798 H C 2.141 177.486 175.328 0.028 0.000 1.087 798 H CA 1.528 57.638 56.048 0.104 0.000 1.319 798 H CB -0.670 29.157 29.762 0.109 0.000 1.379 798 H HN 0.133 nan 8.280 nan 0.000 0.501 799 A N 0.991 123.762 122.820 -0.082 0.000 1.908 799 A HA -0.101 4.218 4.320 -0.002 0.000 0.218 799 A C 2.730 180.191 177.584 -0.205 0.000 1.181 799 A CA 2.154 54.042 52.037 -0.248 0.000 0.627 799 A CB -1.325 17.478 19.000 -0.329 0.000 0.818 799 A HN 0.606 nan 8.150 nan 0.000 0.445 800 A N -0.628 122.079 122.820 -0.188 0.000 1.940 800 A HA 0.107 4.426 4.320 -0.002 0.000 0.219 800 A C 2.355 179.928 177.584 -0.019 0.000 1.176 800 A CA 2.002 53.964 52.037 -0.125 0.000 0.631 800 A CB -1.246 17.724 19.000 -0.049 0.000 0.814 800 A HN 0.699 nan 8.150 nan 0.000 0.446 801 G N -0.634 108.199 108.800 0.056 0.000 2.404 801 G HA2 0.102 4.061 3.960 -0.002 0.000 0.214 801 G HA3 0.102 4.061 3.960 -0.002 0.000 0.214 801 G C 1.512 176.437 174.900 0.043 0.000 1.189 801 G CA 0.971 46.119 45.100 0.080 0.000 0.789 801 G HN 0.749 nan 8.290 nan 0.000 0.533 802 G N 0.159 108.973 108.800 0.023 0.000 2.564 802 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.216 802 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.216 802 G C 1.760 176.627 174.900 -0.055 0.000 1.124 802 G CA 0.849 45.930 45.100 -0.033 0.000 0.764 802 G HN 0.404 nan 8.290 nan 0.000 0.550 803 R N 0.324 120.789 120.500 -0.058 0.000 2.148 803 R HA 0.009 4.348 4.340 -0.002 0.000 0.227 803 R C 2.299 178.577 176.300 -0.037 0.000 1.103 803 R CA 0.872 56.935 56.100 -0.061 0.000 0.983 803 R CB -0.061 30.197 30.300 -0.070 0.000 0.874 803 R HN 0.221 nan 8.270 nan 0.000 0.451 804 E N -0.932 119.256 120.200 -0.020 0.000 2.106 804 E HA -0.070 4.279 4.350 -0.002 0.000 0.192 804 E C 1.905 178.496 176.600 -0.015 0.000 0.984 804 E CA 1.409 57.802 56.400 -0.012 0.000 0.806 804 E CB -0.602 29.098 29.700 -0.000 0.000 0.750 804 E HN 0.513 nan 8.360 nan 0.000 0.458 805 G N 1.263 110.054 108.800 -0.015 0.000 2.422 805 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.218 805 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.218 805 G C 1.714 176.599 174.900 -0.025 0.000 1.146 805 G CA 0.472 45.561 45.100 -0.018 0.000 0.769 805 G HN 0.192 nan 8.290 nan 0.000 0.547 806 L N 0.295 121.498 121.223 -0.033 0.000 2.131 806 L HA -0.063 4.276 4.340 -0.002 0.000 0.210 806 L C 2.750 179.602 176.870 -0.030 0.000 1.092 806 L CA 0.463 55.282 54.840 -0.036 0.000 0.759 806 L CB -0.285 41.747 42.059 -0.046 0.000 0.903 806 L HN 0.117 nan 8.230 nan 0.000 0.435 807 V N -1.517 118.381 119.914 -0.027 0.000 2.878 807 V HA -0.136 3.983 4.120 -0.002 0.000 0.250 807 V C 2.000 178.082 176.094 -0.020 0.000 1.075 807 V CA 1.161 63.447 62.300 -0.023 0.000 1.096 807 V CB -0.247 31.562 31.823 -0.022 0.000 0.724 807 V HN 0.382 nan 8.190 nan 0.000 0.467 808 D N 0.404 120.793 120.400 -0.019 0.000 2.234 808 D HA -0.111 4.528 4.640 -0.002 0.000 0.205 808 D C 2.118 178.408 176.300 -0.017 0.000 0.962 808 D CA 1.299 55.290 54.000 -0.016 0.000 0.855 808 D CB 0.285 41.076 40.800 -0.014 0.000 0.951 808 D HN 0.366 nan 8.370 nan 0.000 0.500 809 T N 0.429 114.971 114.554 -0.019 0.000 2.665 809 T HA -0.187 4.162 4.350 -0.002 0.000 0.268 809 T C 1.835 176.525 174.700 -0.017 0.000 1.035 809 T CA 1.886 63.974 62.100 -0.019 0.000 1.151 809 T CB -0.150 68.705 68.868 -0.022 0.000 0.862 809 T HN 0.225 nan 8.240 nan 0.000 0.438 810 A N 0.859 123.669 122.820 -0.017 0.000 1.844 810 A HA 0.194 4.513 4.320 -0.002 0.000 0.212 810 A C 1.303 178.879 177.584 -0.013 0.000 1.221 810 A CA 0.458 52.486 52.037 -0.015 0.000 0.607 810 A CB -0.437 18.553 19.000 -0.016 0.000 0.878 810 A HN 0.307 nan 8.150 nan 0.000 0.451 811 V N 0.864 120.769 119.914 -0.014 0.000 2.341 811 V HA 0.408 4.527 4.120 -0.002 0.000 0.248 811 V C 0.885 176.972 176.094 -0.012 0.000 1.107 811 V CA 1.077 63.369 62.300 -0.014 0.000 1.069 811 V CB -0.500 31.313 31.823 -0.016 0.000 1.177 811 V HN 0.695 nan 8.190 nan 0.000 0.492 812 R N 1.712 122.207 120.500 -0.008 0.000 2.305 812 R HA -0.062 4.276 4.340 -0.002 0.000 0.040 812 R C 1.778 178.079 176.300 0.001 0.000 0.818 812 R CA 0.760 56.857 56.100 -0.005 0.000 3.145 812 R CB -0.194 30.101 30.300 -0.008 0.000 1.118 812 R HN 0.527 nan 8.270 nan 0.000 0.538 813 T N 1.253 115.807 114.554 0.001 0.000 2.881 813 T HA -0.149 4.200 4.350 -0.002 0.000 0.270 813 T C 1.616 176.327 174.700 0.019 0.000 1.068 813 T CA 1.741 63.845 62.100 0.007 0.000 1.131 813 T CB -0.258 68.612 68.868 0.003 0.000 0.871 813 T HN 0.495 nan 8.240 nan 0.000 0.479 814 S N 1.898 117.605 115.700 0.012 0.000 2.392 814 S HA -0.276 4.193 4.470 -0.002 0.000 0.232 814 S C 1.981 176.598 174.600 0.029 0.000 1.041 814 S CA 1.226 59.434 58.200 0.014 0.000 1.026 814 S CB -0.439 62.757 63.200 -0.006 0.000 0.845 814 S HN 0.583 nan 8.310 nan 0.000 0.465 815 Q N 0.137 119.954 119.800 0.028 0.000 2.178 815 Q HA 0.125 4.464 4.340 -0.002 0.000 0.195 815 Q C 2.528 178.575 176.000 0.079 0.000 0.960 815 Q CA 0.967 56.797 55.803 0.045 0.000 0.843 815 Q CB -0.310 28.440 28.738 0.020 0.000 0.927 815 Q HN 0.604 nan 8.270 nan 0.000 0.487 816 S N 0.253 115.981 115.700 0.047 0.000 2.382 816 S HA -0.110 4.359 4.470 -0.002 0.000 0.228 816 S C 1.900 176.526 174.600 0.043 0.000 1.027 816 S CA 1.377 59.599 58.200 0.036 0.000 0.991 816 S CB -0.436 62.772 63.200 0.013 0.000 0.823 816 S HN 0.523 nan 8.310 nan 0.000 0.469 817 G N -0.792 108.041 108.800 0.054 0.000 2.408 817 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.217 817 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.217 817 G C 1.256 176.202 174.900 0.077 0.000 1.150 817 G CA 0.806 45.937 45.100 0.052 0.000 0.776 817 G HN 0.620 nan 8.290 nan 0.000 0.542 818 Y N 0.262 120.557 120.300 -0.007 0.000 2.421 818 Y HA 0.120 4.668 4.550 -0.002 0.000 0.292 818 Y C 2.473 178.369 175.900 -0.007 0.000 1.136 818 Y CA 1.368 59.464 58.100 -0.007 0.000 1.255 818 Y CB 0.108 38.563 38.460 -0.009 0.000 0.991 818 Y HN 0.212 nan 8.280 nan 0.000 0.552 819 M N -0.621 119.002 119.600 0.038 0.000 2.510 819 M HA -0.034 4.445 4.480 -0.002 0.000 0.256 819 M C 1.781 178.051 176.300 -0.051 0.000 1.132 819 M CA 0.849 56.132 55.300 -0.028 0.000 1.105 819 M CB 0.157 32.773 32.600 0.027 0.000 1.375 819 M HN 0.298 nan 8.290 nan 0.000 0.477 820 Q N 0.842 120.621 119.800 -0.035 0.000 2.123 820 Q HA -0.130 4.209 4.340 -0.002 0.000 0.199 820 Q C 1.953 177.919 176.000 -0.058 0.000 0.966 820 Q CA 1.658 57.441 55.803 -0.032 0.000 0.845 820 Q CB -0.124 28.606 28.738 -0.012 0.000 0.907 820 Q HN 0.470 nan 8.270 nan 0.000 0.439 821 R N -0.814 119.626 120.500 -0.100 0.000 2.210 821 R HA 0.118 4.456 4.340 -0.002 0.000 0.203 821 R C 2.000 178.192 176.300 -0.180 0.000 1.010 821 R CA 0.307 56.332 56.100 -0.126 0.000 1.008 821 R CB 0.172 30.387 30.300 -0.141 0.000 0.923 821 R HN 0.152 nan 8.270 nan 0.000 0.469 822 R N 0.325 120.680 120.500 -0.242 0.000 2.090 822 R HA -0.067 4.272 4.340 -0.002 0.000 0.228 822 R C 1.735 177.962 176.300 -0.121 0.000 1.110 822 R CA 1.090 57.049 56.100 -0.236 0.000 0.973 822 R CB -0.007 30.125 30.300 -0.279 0.000 0.869 822 R HN 0.180 nan 8.270 nan 0.000 0.440 823 L N -2.145 119.028 121.223 -0.084 0.000 2.585 823 L HA 0.223 4.562 4.340 -0.002 0.000 0.226 823 L C 1.666 178.518 176.870 -0.030 0.000 1.113 823 L CA 0.905 55.718 54.840 -0.045 0.000 0.876 823 L CB -0.404 41.639 42.059 -0.027 0.000 1.072 823 L HN -0.038 nan 8.230 nan 0.000 0.468 824 I N -0.055 120.492 120.570 -0.039 0.000 2.928 824 I HA -0.063 4.106 4.170 -0.002 0.000 0.266 824 I C 1.788 177.893 176.117 -0.021 0.000 1.234 824 I CA 0.676 61.963 61.300 -0.022 0.000 1.483 824 I CB 0.086 38.073 38.000 -0.022 0.000 1.097 824 I HN 0.444 nan 8.210 nan 0.000 0.455 825 N N -0.059 118.619 118.700 -0.037 0.000 2.368 825 N HA 0.109 4.848 4.740 -0.002 0.000 0.178 825 N C 1.654 177.154 175.510 -0.016 0.000 1.076 825 N CA 0.743 53.776 53.050 -0.028 0.000 0.889 825 N CB 0.549 39.005 38.487 -0.051 0.000 1.040 825 N HN 0.263 nan 8.380 nan 0.000 0.463 826 A N 0.272 123.078 122.820 -0.023 0.000 2.021 826 A HA 0.101 4.420 4.320 -0.002 0.000 0.216 826 A C 1.470 179.061 177.584 0.012 0.000 1.163 826 A CA 0.796 52.825 52.037 -0.012 0.000 0.676 826 A CB 0.105 19.090 19.000 -0.024 0.000 0.818 826 A HN 0.086 nan 8.150 nan 0.000 0.453 827 L N 0.123 121.355 121.223 0.014 0.000 2.857 827 L HA 0.118 4.457 4.340 -0.002 0.000 0.249 827 L C 2.113 179.003 176.870 0.033 0.000 1.172 827 L CA 0.958 55.816 54.840 0.029 0.000 0.980 827 L CB 0.368 42.444 42.059 0.028 0.000 1.299 827 L HN 0.396 nan 8.230 nan 0.000 0.535 828 S N -1.593 114.124 115.700 0.029 0.000 2.368 828 S HA -0.106 4.363 4.470 -0.002 0.000 0.224 828 S C 0.959 175.573 174.600 0.023 0.000 1.029 828 S CA 0.996 59.209 58.200 0.023 0.000 0.988 828 S CB -0.288 62.923 63.200 0.019 0.000 0.838 828 S HN 0.349 nan 8.310 nan 0.000 0.462 829 D N 2.032 122.460 120.400 0.046 0.000 3.008 829 D HA 0.368 5.007 4.640 -0.002 0.000 0.242 829 D C -0.670 175.648 176.300 0.030 0.000 1.222 829 D CA 0.243 54.260 54.000 0.028 0.000 0.883 829 D CB -0.284 40.566 40.800 0.083 0.000 1.110 829 D HN 0.422 nan 8.370 nan 0.000 0.455 830 L N 1.026 122.261 121.223 0.021 0.000 2.406 830 L HA 0.479 4.818 4.340 -0.002 0.000 0.272 830 L C 0.138 177.007 176.870 -0.001 0.000 0.980 830 L CA -0.905 53.950 54.840 0.026 0.000 0.831 830 L CB 1.959 44.049 42.059 0.052 0.000 1.253 830 L HN -0.034 nan 8.230 nan 0.000 0.406 831 R N 2.502 122.990 120.500 -0.019 0.000 2.888 831 R HA 0.904 5.243 4.340 -0.002 0.000 0.264 831 R C -0.952 175.308 176.300 -0.067 0.000 1.045 831 R CA -0.839 55.227 56.100 -0.057 0.000 0.962 831 R CB 1.832 32.084 30.300 -0.080 0.000 1.210 831 R HN 0.488 nan 8.270 nan 0.000 0.479 832 A N 2.213 124.960 122.820 -0.121 0.000 2.798 832 A HA 0.236 4.555 4.320 -0.002 0.000 0.316 832 A C -0.245 177.249 177.584 -0.150 0.000 1.506 832 A CA -0.692 51.264 52.037 -0.134 0.000 1.162 832 A CB -0.199 18.680 19.000 -0.203 0.000 1.138 832 A HN 0.665 nan 8.150 nan 0.000 0.532 833 E N 0.628 120.778 120.200 -0.083 0.000 2.468 833 E HA -0.114 4.235 4.350 -0.002 0.000 0.263 833 E C 0.072 176.635 176.600 -0.062 0.000 1.192 833 E CA 0.416 56.779 56.400 -0.063 0.000 1.016 833 E CB 0.141 29.858 29.700 0.029 0.000 0.980 833 E HN 0.677 nan 8.360 nan 0.000 0.467 834 Y N 0.433 120.730 120.300 -0.005 0.000 2.497 834 Y HA -0.135 4.414 4.550 -0.002 0.000 0.292 834 Y C 1.479 177.382 175.900 0.005 0.000 1.137 834 Y CA 1.400 59.497 58.100 -0.006 0.000 1.285 834 Y CB 0.103 38.560 38.460 -0.006 0.000 0.991 834 Y HN 0.395 nan 8.280 nan 0.000 0.556 835 D N -1.612 118.879 120.400 0.151 0.000 2.587 835 D HA 0.179 4.818 4.640 -0.002 0.000 0.233 835 D C 1.518 177.868 176.300 0.083 0.000 1.213 835 D CA 0.407 54.471 54.000 0.105 0.000 0.827 835 D CB -0.231 40.622 40.800 0.089 0.000 1.006 835 D HN 0.258 nan 8.370 nan 0.000 0.490 836 G N 0.183 109.029 108.800 0.075 0.000 2.155 836 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.257 836 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.257 836 G C 0.387 175.347 174.900 0.100 0.000 0.983 836 G CA 0.675 45.825 45.100 0.085 0.000 0.676 836 G HN 0.505 nan 8.290 nan 0.000 0.528 837 T N -0.634 113.968 114.554 0.081 0.000 2.902 837 T HA 0.595 4.944 4.350 -0.002 0.000 0.280 837 T C 0.163 174.912 174.700 0.083 0.000 0.992 837 T CA -0.283 61.868 62.100 0.086 0.000 1.015 837 T CB 2.605 71.516 68.868 0.071 0.000 1.044 837 T HN 0.548 nan 8.240 nan 0.000 0.520 838 V N 2.431 122.405 119.914 0.099 0.000 2.349 838 V HA 0.452 4.571 4.120 -0.002 0.000 0.284 838 V C -0.032 176.106 176.094 0.073 0.000 1.014 838 V CA -0.782 61.572 62.300 0.090 0.000 0.826 838 V CB 0.749 32.666 31.823 0.157 0.000 1.009 838 V HN 0.684 nan 8.190 nan 0.000 0.431 839 R N 2.346 122.877 120.500 0.050 0.000 2.711 839 R HA 0.697 5.036 4.340 -0.002 0.000 0.284 839 R C 0.154 176.482 176.300 0.048 0.000 0.968 839 R CA -0.537 55.595 56.100 0.054 0.000 0.924 839 R CB 2.267 32.596 30.300 0.049 0.000 1.162 839 R HN 0.757 nan 8.270 nan 0.000 0.465 840 S N 1.124 116.868 115.700 0.074 0.000 2.645 840 S HA 0.187 4.656 4.470 -0.002 0.000 0.266 840 S C 1.041 175.657 174.600 0.025 0.000 1.258 840 S CA -0.744 57.505 58.200 0.082 0.000 0.990 840 S CB 0.532 63.842 63.200 0.183 0.000 0.967 840 S HN 0.590 nan 8.310 nan 0.000 0.556 841 L N 0.616 121.786 121.223 -0.088 0.000 2.675 841 L HA 0.049 4.388 4.340 -0.002 0.000 0.238 841 L C 0.615 177.265 176.870 -0.367 0.000 1.155 841 L CA 0.596 55.292 54.840 -0.240 0.000 0.881 841 L CB -0.782 41.077 42.059 -0.333 0.000 1.008 841 L HN 0.733 nan 8.230 nan 0.000 0.443 842 Y N -1.181 119.129 120.300 0.017 0.000 2.498 842 Y HA 0.310 4.859 4.550 -0.002 0.000 0.259 842 Y C 1.858 177.771 175.900 0.022 0.000 1.086 842 Y CA 0.346 58.456 58.100 0.018 0.000 1.287 842 Y CB 0.738 39.208 38.460 0.015 0.000 1.146 842 Y HN 0.105 nan 8.280 nan 0.000 0.523 843 G N 0.270 109.160 108.800 0.150 0.000 2.183 843 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.168 843 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.168 843 G C -0.340 174.619 174.900 0.098 0.000 1.008 843 G CA -0.568 44.592 45.100 0.101 0.000 0.677 843 G HN 0.291 nan 8.290 nan 0.000 0.498 844 E N 0.487 120.759 120.200 0.120 0.000 2.316 844 E HA 0.426 4.775 4.350 -0.002 0.000 0.275 844 E C 0.043 176.690 176.600 0.078 0.000 1.029 844 E CA -0.510 55.945 56.400 0.093 0.000 0.871 844 E CB 2.227 31.983 29.700 0.094 0.000 1.022 844 E HN 0.073 nan 8.360 nan 0.000 0.418 845 V N 5.061 125.015 119.914 0.065 0.000 2.389 845 V HA 0.003 4.122 4.120 -0.002 0.000 0.264 845 V C 0.722 176.852 176.094 0.060 0.000 1.049 845 V CA 0.159 62.496 62.300 0.061 0.000 0.932 845 V CB 0.509 32.364 31.823 0.055 0.000 1.011 845 V HN 0.667 nan 8.190 nan 0.000 0.475 846 I N 3.265 123.874 120.570 0.065 0.000 2.628 846 I HA 0.110 4.279 4.170 -0.002 0.000 0.255 846 I C 1.096 177.249 176.117 0.060 0.000 1.119 846 I CA 1.098 62.435 61.300 0.061 0.000 1.448 846 I CB 0.203 38.244 38.000 0.068 0.000 1.133 846 I HN 0.590 nan 8.210 nan 0.000 0.438 847 Q N 0.239 120.083 119.800 0.074 0.000 2.290 847 Q HA 0.406 4.745 4.340 -0.002 0.000 0.269 847 Q C -1.168 174.879 176.000 0.078 0.000 1.016 847 Q CA -0.459 55.388 55.803 0.074 0.000 0.754 847 Q CB 2.853 31.649 28.738 0.098 0.000 1.247 847 Q HN -0.120 nan 8.270 nan 0.000 0.451 848 V N 2.292 122.242 119.914 0.060 0.000 2.326 848 V HA 0.486 4.605 4.120 -0.002 0.000 0.249 848 V C 0.063 176.196 176.094 0.065 0.000 1.114 848 V CA 0.147 62.483 62.300 0.060 0.000 1.028 848 V CB -0.347 31.503 31.823 0.046 0.000 1.170 848 V HN 0.910 nan 8.190 nan 0.000 0.494 849 A N 4.618 127.491 122.820 0.089 0.000 2.433 849 A HA -0.126 4.193 4.320 -0.002 0.000 0.685 849 A C -0.661 176.999 177.584 0.128 0.000 0.140 849 A CA -0.684 51.415 52.037 0.104 0.000 0.034 849 A CB -1.595 17.446 19.000 0.068 0.000 3.970 849 A HN 1.333 nan 8.150 nan 0.000 0.547 850 Y N 2.724 123.053 120.300 0.048 0.000 2.569 850 Y HA 0.396 4.945 4.550 -0.002 0.000 0.332 850 Y C 1.407 177.335 175.900 0.047 0.000 1.120 850 Y CA 1.099 59.230 58.100 0.051 0.000 1.416 850 Y CB 0.515 39.016 38.460 0.068 0.000 1.210 850 Y HN 2.531 nan 8.280 nan 0.000 0.528 851 G N 5.620 114.056 108.800 -0.607 0.000 2.379 851 G HA2 -0.362 3.597 3.960 -0.002 0.000 0.297 851 G HA3 -0.362 3.597 3.960 -0.002 0.000 0.297 851 G C 0.468 175.214 174.900 -0.256 0.000 1.004 851 G CA 0.713 45.464 45.100 -0.582 0.000 0.921 851 G HN 0.947 nan 8.290 nan 0.000 0.511 852 D N -1.345 118.980 120.400 -0.125 0.000 4.137 852 D HA -0.207 4.431 4.640 -0.002 0.000 0.214 852 D C 1.230 177.522 176.300 -0.014 0.000 1.236 852 D CA 2.149 56.119 54.000 -0.050 0.000 2.360 852 D CB -1.292 39.478 40.800 -0.049 0.000 1.205 852 D HN 0.440 nan 8.370 nan 0.000 0.406 853 D N -0.307 120.082 120.400 -0.019 0.000 2.077 853 D HA 0.121 4.760 4.640 -0.002 0.000 0.193 853 D C 1.880 178.228 176.300 0.079 0.000 0.989 853 D CA 3.261 57.281 54.000 0.033 0.000 0.831 853 D CB -0.393 40.432 40.800 0.041 0.000 0.979 853 D HN 0.627 nan 8.370 nan 0.000 0.449 854 G N -1.514 107.365 108.800 0.131 0.000 2.205 854 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.180 854 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.180 854 G C -0.060 174.998 174.900 0.263 0.000 1.004 854 G CA 0.221 45.444 45.100 0.204 0.000 0.670 854 G HN 0.325 nan 8.290 nan 0.000 0.496 855 V N 0.978 121.054 119.914 0.269 0.000 2.630 855 V HA 0.737 4.856 4.120 -0.002 0.000 0.305 855 V C -0.131 176.193 176.094 0.383 0.000 1.046 855 V CA -0.971 61.502 62.300 0.288 0.000 0.934 855 V CB 1.829 33.771 31.823 0.199 0.000 1.003 855 V HN 0.297 nan 8.190 nan 0.000 0.451 856 F N 6.784 126.843 119.950 0.182 0.000 2.411 856 F HA 0.461 4.987 4.527 -0.002 0.000 0.355 856 F C -1.174 174.586 175.800 -0.067 0.000 1.117 856 F CA -2.263 55.751 58.000 0.024 0.000 1.139 856 F CB 1.788 40.643 39.000 -0.242 0.000 1.120 856 F HN 0.376 nan 8.300 nan 0.000 0.493 857 P HA -0.277 nan 4.420 nan 0.000 0.218 857 P C 1.668 178.722 177.300 -0.411 0.000 1.146 857 P CA 1.627 64.477 63.100 -0.416 0.000 0.820 857 P CB -0.046 31.381 31.700 -0.456 0.000 0.778 858 M N -1.748 117.488 119.600 -0.607 0.000 2.288 858 M HA -0.103 4.376 4.480 -0.002 0.000 0.266 858 M C 1.194 177.468 176.300 -0.043 0.000 1.072 858 M CA 1.583 56.710 55.300 -0.289 0.000 1.132 858 M CB -0.146 32.380 32.600 -0.125 0.000 1.386 858 M HN -0.166 nan 8.290 nan 0.000 0.432 859 Y N 0.192 120.624 120.300 0.220 0.000 2.490 859 Y HA 0.220 4.769 4.550 -0.002 0.000 0.281 859 Y C 1.545 177.525 175.900 0.133 0.000 1.174 859 Y CA -0.365 57.832 58.100 0.161 0.000 1.295 859 Y CB -1.013 37.550 38.460 0.171 0.000 1.062 859 Y HN 0.232 nan 8.280 nan 0.000 0.522 860 S N -0.933 114.886 115.700 0.199 0.000 2.677 860 S HA 0.773 5.242 4.470 -0.002 0.000 0.290 860 S C 1.262 175.952 174.600 0.149 0.000 1.124 860 S CA -0.258 58.043 58.200 0.168 0.000 1.017 860 S CB 1.237 64.509 63.200 0.120 0.000 1.215 860 S HN 0.080 nan 8.310 nan 0.000 0.524 861 A N -0.954 121.957 122.820 0.152 0.000 1.938 861 A HA 0.355 4.674 4.320 -0.002 0.000 0.207 861 A C 1.584 179.174 177.584 0.010 0.000 1.292 861 A CA 0.296 52.411 52.037 0.131 0.000 0.700 861 A CB -0.467 18.666 19.000 0.222 0.000 0.947 861 A HN 0.905 nan 8.150 nan 0.000 0.476 862 H N -2.568 116.579 119.070 0.128 0.000 1.690 862 H HA 0.173 4.728 4.556 -0.002 0.000 0.146 862 H C 1.106 176.475 175.328 0.070 0.000 1.057 862 H CA 0.401 56.506 56.048 0.094 0.000 1.041 862 H CB 0.039 29.856 29.762 0.092 0.000 0.775 862 H HN 0.494 nan 8.280 nan 0.000 0.305 863 G N 1.206 110.135 108.800 0.215 0.000 2.938 863 G HA2 0.400 4.359 3.960 -0.002 0.000 0.258 863 G HA3 0.400 4.359 3.960 -0.002 0.000 0.258 863 G C -0.617 174.363 174.900 0.132 0.000 1.356 863 G CA -0.708 44.472 45.100 0.134 0.000 1.052 863 G HN 0.152 nan 8.290 nan 0.000 0.550 864 K N -0.003 120.462 120.400 0.108 0.000 2.219 864 K HA 0.495 4.814 4.320 -0.002 0.000 0.280 864 K C -1.055 175.608 176.600 0.105 0.000 1.104 864 K CA -0.021 56.332 56.287 0.110 0.000 0.925 864 K CB -0.039 32.518 32.500 0.094 0.000 1.261 864 K HN 0.406 nan 8.250 nan 0.000 0.445 865 T N 0.490 115.118 114.554 0.123 0.000 2.058 865 T HA -0.128 4.221 4.350 -0.002 0.000 0.581 865 T C -0.082 174.684 174.700 0.110 0.000 0.892 865 T CA -0.106 62.059 62.100 0.109 0.000 3.090 865 T CB -1.224 67.690 68.868 0.077 0.000 1.855 865 T HN 0.451 nan 8.240 nan 0.000 0.478 866 V N 3.609 123.610 119.914 0.145 0.000 2.359 866 V HA 0.037 4.156 4.120 -0.002 0.000 0.248 866 V C 1.701 177.823 176.094 0.047 0.000 1.091 866 V CA 0.273 62.655 62.300 0.137 0.000 1.103 866 V CB 0.176 32.156 31.823 0.263 0.000 1.176 866 V HN 0.859 nan 8.190 nan 0.000 0.488 867 D N 2.863 123.290 120.400 0.045 0.000 2.203 867 D HA -0.163 4.476 4.640 -0.002 0.000 0.199 867 D C 1.598 177.906 176.300 0.013 0.000 0.997 867 D CA 1.310 55.326 54.000 0.027 0.000 0.863 867 D CB 0.067 40.886 40.800 0.032 0.000 0.928 867 D HN 0.521 nan 8.370 nan 0.000 0.458 868 V N 0.181 120.094 119.914 -0.001 0.000 3.646 868 V HA 0.079 4.198 4.120 -0.002 0.000 0.277 868 V C 1.324 177.367 176.094 -0.084 0.000 1.274 868 V CA 0.511 62.806 62.300 -0.009 0.000 1.164 868 V CB -0.369 31.429 31.823 -0.042 0.000 0.926 868 V HN 0.147 nan 8.190 nan 0.000 0.442 869 N N 0.831 119.439 118.700 -0.152 0.000 2.482 869 N HA 0.033 4.772 4.740 -0.002 0.000 0.179 869 N C 1.930 177.347 175.510 -0.155 0.000 1.039 869 N CA 0.465 53.327 53.050 -0.313 0.000 0.884 869 N CB 0.141 38.129 38.487 -0.831 0.000 1.113 869 N HN 0.302 nan 8.380 nan 0.000 0.440 870 R N 0.367 120.804 120.500 -0.106 0.000 2.120 870 R HA -0.008 4.330 4.340 -0.002 0.000 0.234 870 R C 2.080 178.384 176.300 0.008 0.000 1.123 870 R CA 1.114 57.184 56.100 -0.051 0.000 0.975 870 R CB -0.466 29.816 30.300 -0.030 0.000 0.866 870 R HN 0.343 nan 8.270 nan 0.000 0.446 871 I N 0.224 120.824 120.570 0.049 0.000 2.394 871 I HA -0.219 3.950 4.170 -0.002 0.000 0.251 871 I C 1.228 177.401 176.117 0.093 0.000 1.136 871 I CA 1.289 62.630 61.300 0.067 0.000 1.425 871 I CB 0.079 38.129 38.000 0.083 0.000 1.079 871 I HN -0.004 nan 8.210 nan 0.000 0.425 872 F N 1.274 121.167 119.950 -0.095 0.000 2.661 872 F HA -0.033 4.493 4.527 -0.002 0.000 0.298 872 F C 2.358 178.127 175.800 -0.052 0.000 1.137 872 F CA 0.843 58.794 58.000 -0.082 0.000 1.454 872 F CB -0.282 38.633 39.000 -0.142 0.000 1.103 872 F HN 0.127 nan 8.300 nan 0.000 0.577 873 E N -0.335 119.909 120.200 0.073 0.000 2.046 873 E HA -0.112 4.237 4.350 -0.002 0.000 0.190 873 E C 2.095 178.767 176.600 0.120 0.000 0.982 873 E CA 0.768 57.198 56.400 0.049 0.000 0.800 873 E CB 0.093 29.791 29.700 -0.003 0.000 0.756 873 E HN 0.211 nan 8.360 nan 0.000 0.449 874 R N 0.092 120.645 120.500 0.088 0.000 2.254 874 R HA 0.162 4.501 4.340 -0.002 0.000 0.193 874 R C 1.139 177.469 176.300 0.050 0.000 0.929 874 R CA 0.240 56.386 56.100 0.076 0.000 1.038 874 R CB 0.369 30.653 30.300 -0.027 0.000 1.009 874 R HN 0.006 nan 8.270 nan 0.000 0.512 875 V N -1.010 118.934 119.914 0.049 0.000 3.547 875 V HA 0.240 4.359 4.120 -0.002 0.000 0.289 875 V C 1.891 178.054 176.094 0.115 0.000 1.226 875 V CA -0.440 61.894 62.300 0.055 0.000 0.966 875 V CB 1.120 32.891 31.823 -0.087 0.000 1.255 875 V HN -0.050 nan 8.190 nan 0.000 0.466 876 V N 0.034 119.926 119.914 -0.037 0.000 0.735 876 V HA -0.318 3.801 4.120 -0.002 0.000 0.053 876 V C 1.799 177.888 176.094 -0.008 0.000 2.562 876 V CA 2.500 64.630 62.300 -0.283 0.000 3.564 876 V CB -1.446 29.682 31.823 -1.158 0.000 1.229 876 V HN 1.258 nan 8.190 nan 0.000 1.090 877 G N -2.476 106.364 108.800 0.066 0.000 2.535 877 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.218 877 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.218 877 G C 0.923 175.491 174.900 -0.553 0.000 1.122 877 G CA 1.084 45.962 45.100 -0.370 0.000 0.769 877 G HN 0.757 nan 8.290 nan 0.000 0.549 878 W N -0.403 120.876 121.300 -0.035 0.000 2.773 878 W HA 0.372 5.031 4.660 -0.001 0.000 0.297 878 W C 0.761 177.259 176.519 -0.035 0.000 1.050 878 W CA -0.382 56.946 57.345 -0.028 0.000 1.467 878 W CB 0.817 30.255 29.460 -0.037 0.000 0.977 878 W HN 0.062 nan 8.180 nan 0.000 0.573 879 K N 0.000 120.488 120.400 0.147 0.000 2.780 879 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 879 K CA 0.000 56.313 56.287 0.044 0.000 0.838 879 K CB 0.000 32.493 32.500 -0.012 0.000 1.064 879 K HN 0.000 nan 8.250 nan 0.000 0.543