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 3lw5_1_B DATA FIRST_RESID 2 DATA SEQUENCE ALRIPRFSQG IAQDPTTRRI WFGIATAHDF ESHDDITEGR LYQNIFASHF DATA SEQUENCE GQLAIIFLWT SGNLFHVAWQ GNFEAWVQDP FHVRPIAHAI WDPHFGQPAV DATA SEQUENCE EAFTRGGALG PVNNAYSGVY QWWYTIGLRT NEDLYTGAIF LLFLSFISLL DATA SEQUENCE AGWLHLQPKW KPSVSWFKNA ESRLNHHLSG LFGVSSLAWA GHLVHVAIPG DATA SEQUENCE SRGEYVRWNN FLDVLPYPQG LGPLLTGQWN LYAQNPSSSN HLFGTTQGAG DATA SEQUENCE TAILTILGGF HPQTQSLWLT DVAHHHLAIA FLFLIGGLMY RTNFGIGHSI DATA SEQUENCE KYILEAHIPP GGRLGRGHKG LYDTINNSIH FQLGLALASL GVITSLVAQH DATA SEQUENCE MYSLPAYAFI AQDFTTQAAL YTHHQYIAGF IMTGAFAHGP IFFIRDYNPE DATA SEQUENCE QNADNVLARM LEHKEAIISH LSWASLFLGF HTLGLYVHND VMLAFGTPEK DATA SEQUENCE QILIEPIFAQ WIQSAHGKTT YGFDIPLSST NGPALNAGRN IWLPGWLNAI DATA SEQUENCE NENSNSLFLT IGPGDFLVHH AIALGLHTTT LILVKGALDA RGSKLMPDKK DATA SEQUENCE DFGYSFPCDG PGRGGTCDIS AWDDFYLAVF WMLNTIGWVT FYWHWKHITL DATA SEQUENCE WRGNVSQFNE SSTYLMGWLR DYLWLNSSQL INGITPLVCN SLSVWAWMFL DATA SEQUENCE FGHLVWATGF MFLISWRGYW QELIETLAWA HERTPLANLI RWRDKPVALS DATA SEQUENCE IVQARLVGLV HFSVGYIFTY AAFLIASTSG KFG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.577 177.584 -0.012 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 3 L N 0.706 121.919 121.223 -0.017 0.000 2.350 3 L HA 0.859 4.886 4.340 -0.522 0.000 0.260 3 L C 0.146 177.001 176.870 -0.025 0.000 1.015 3 L CA -1.297 53.532 54.840 -0.019 0.000 0.821 3 L CB 2.306 44.354 42.059 -0.019 0.000 1.370 3 L HN 0.695 nan 8.230 nan 0.000 0.416 4 R N 1.236 121.721 120.500 -0.025 0.000 2.387 4 R HA 0.865 4.892 4.340 -0.522 0.000 0.314 4 R C -1.166 175.114 176.300 -0.035 0.000 0.958 4 R CA -0.367 55.714 56.100 -0.031 0.000 0.846 4 R CB 1.112 31.398 30.300 -0.024 0.000 1.147 4 R HN 0.387 nan 8.270 nan 0.000 0.447 5 I N 1.383 121.923 120.570 -0.049 0.000 3.434 5 I HA 0.457 4.314 4.170 -0.522 0.000 0.317 5 I C -2.441 173.622 176.117 -0.090 0.000 1.230 5 I CA -2.619 58.645 61.300 -0.060 0.000 0.918 5 I CB 1.810 39.775 38.000 -0.058 0.000 1.337 5 I HN 0.668 nan 8.210 nan 0.000 0.482 6 P HA 0.107 nan 4.420 nan 0.000 0.264 6 P C -0.973 176.198 177.300 -0.214 0.000 1.193 6 P CA 0.037 63.062 63.100 -0.126 0.000 0.763 6 P CB 0.248 31.866 31.700 -0.137 0.000 0.810 7 R N 3.522 123.931 120.500 -0.152 0.000 2.337 7 R HA 0.297 4.324 4.340 -0.522 0.000 0.319 7 R C -0.054 176.252 176.300 0.009 0.000 0.954 7 R CA -0.626 55.406 56.100 -0.113 0.000 0.840 7 R CB -0.034 30.268 30.300 0.004 0.000 1.164 7 R HN 0.290 nan 8.270 nan 0.000 0.472 8 F N -0.545 119.357 119.950 -0.080 0.000 2.500 8 F HA 0.329 4.543 4.527 -0.522 0.000 0.285 8 F C 0.603 176.390 175.800 -0.023 0.000 1.088 8 F CA -0.914 57.061 58.000 -0.042 0.000 1.432 8 F CB -0.598 38.315 39.000 -0.146 0.000 1.131 8 F HN 0.188 nan 8.300 nan 0.000 0.582 9 S N 1.303 116.859 115.700 -0.240 0.000 2.572 9 S HA 0.083 4.240 4.470 -0.522 0.000 0.279 9 S C 1.040 175.591 174.600 -0.082 0.000 1.341 9 S CA -0.361 57.778 58.200 -0.101 0.000 1.043 9 S CB 1.164 64.256 63.200 -0.179 0.000 0.887 9 S HN 0.361 nan 8.310 nan 0.000 0.516 10 Q N 1.915 121.701 119.800 -0.024 0.000 2.163 10 Q HA 0.119 4.145 4.340 -0.522 0.000 0.198 10 Q C 2.303 178.273 176.000 -0.049 0.000 0.954 10 Q CA 0.833 56.613 55.803 -0.038 0.000 0.851 10 Q CB -0.517 28.213 28.738 -0.013 0.000 0.928 10 Q HN 0.799 nan 8.270 nan 0.000 0.459 11 G N 1.567 110.346 108.800 -0.035 0.000 2.491 11 G HA2 -0.279 3.368 3.960 -0.522 0.000 0.218 11 G HA3 -0.279 3.368 3.960 -0.522 0.000 0.218 11 G C 1.395 176.251 174.900 -0.074 0.000 1.180 11 G CA 0.962 46.037 45.100 -0.042 0.000 0.774 11 G HN 0.229 nan 8.290 nan 0.000 0.562 12 I N 1.695 122.210 120.570 -0.092 0.000 2.226 12 I HA -0.058 3.799 4.170 -0.522 0.000 0.245 12 I C 3.128 179.170 176.117 -0.126 0.000 1.100 12 I CA 1.223 62.450 61.300 -0.122 0.000 1.374 12 I CB -0.235 37.674 38.000 -0.151 0.000 1.057 12 I HN 0.214 nan 8.210 nan 0.000 0.413 13 A N -0.639 122.105 122.820 -0.127 0.000 2.076 13 A HA -0.267 3.739 4.320 -0.522 0.000 0.220 13 A C 2.142 179.672 177.584 -0.090 0.000 1.160 13 A CA 1.814 53.778 52.037 -0.121 0.000 0.653 13 A CB -0.507 18.429 19.000 -0.107 0.000 0.801 13 A HN 0.573 nan 8.150 nan 0.000 0.455 14 Q N 0.324 120.077 119.800 -0.078 0.000 2.134 14 Q HA 0.037 4.063 4.340 -0.522 0.000 0.195 14 Q C -0.093 175.867 176.000 -0.066 0.000 0.958 14 Q CA 0.459 56.224 55.803 -0.064 0.000 0.840 14 Q CB -0.214 28.493 28.738 -0.052 0.000 0.918 14 Q HN 0.797 nan 8.270 nan 0.000 0.467 15 D N 1.260 121.612 120.400 -0.081 0.000 2.493 15 D HA -0.042 4.285 4.640 -0.522 0.000 0.240 15 D C -2.137 174.120 176.300 -0.071 0.000 1.142 15 D CA -1.163 52.790 54.000 -0.079 0.000 0.872 15 D CB 0.386 41.124 40.800 -0.103 0.000 1.173 15 D HN -0.087 nan 8.370 nan 0.000 0.467 16 P HA -0.081 nan 4.420 nan 0.000 0.217 16 P C 0.274 177.533 177.300 -0.067 0.000 1.151 16 P CA 1.196 64.269 63.100 -0.045 0.000 0.828 16 P CB -0.207 31.481 31.700 -0.020 0.000 0.788 17 T N -2.542 111.965 114.554 -0.079 0.000 2.937 17 T HA 0.025 4.062 4.350 -0.522 0.000 0.316 17 T C 1.414 176.069 174.700 -0.075 0.000 1.079 17 T CA 0.466 62.511 62.100 -0.092 0.000 1.131 17 T CB 0.109 68.927 68.868 -0.084 0.000 1.000 17 T HN 0.167 nan 8.240 nan 0.000 0.549 18 T N -0.213 114.313 114.554 -0.047 0.000 2.897 18 T HA -0.155 3.882 4.350 -0.522 0.000 0.271 18 T C 1.856 176.571 174.700 0.025 0.000 1.084 18 T CA 0.703 62.781 62.100 -0.037 0.000 1.123 18 T CB -0.340 68.545 68.868 0.029 0.000 0.865 18 T HN 0.650 nan 8.240 nan 0.000 0.496 19 R N 0.581 121.117 120.500 0.059 0.000 2.105 19 R HA -0.046 3.981 4.340 -0.522 0.000 0.239 19 R C 2.839 179.148 176.300 0.015 0.000 1.135 19 R CA 0.867 56.987 56.100 0.034 0.000 0.967 19 R CB -0.222 29.898 30.300 -0.301 0.000 0.861 19 R HN 0.265 nan 8.270 nan 0.000 0.442 20 R N 0.664 121.129 120.500 -0.059 0.000 2.096 20 R HA -0.152 3.875 4.340 -0.522 0.000 0.240 20 R C 2.183 178.458 176.300 -0.041 0.000 1.139 20 R CA 1.537 57.598 56.100 -0.065 0.000 0.952 20 R CB -0.557 29.689 30.300 -0.090 0.000 0.854 20 R HN 0.306 nan 8.270 nan 0.000 0.436 21 I N -1.532 118.979 120.570 -0.098 0.000 2.193 21 I HA -0.270 3.587 4.170 -0.522 0.000 0.240 21 I C 2.291 178.398 176.117 -0.016 0.000 1.084 21 I CA 1.234 62.441 61.300 -0.154 0.000 1.365 21 I CB -0.483 37.288 38.000 -0.382 0.000 1.064 21 I HN 0.220 nan 8.210 nan 0.000 0.410 22 W N 0.581 121.934 121.300 0.087 0.000 2.318 22 W HA -0.235 4.112 4.660 -0.522 0.000 0.313 22 W C 2.447 179.008 176.519 0.070 0.000 1.221 22 W CA 0.862 58.261 57.345 0.090 0.000 1.266 22 W CB -0.555 29.005 29.460 0.166 0.000 1.150 22 W HN -0.023 nan 8.180 nan 0.000 0.496 23 F N -0.103 119.958 119.950 0.184 0.000 2.293 23 F HA -0.088 4.126 4.527 -0.522 0.000 0.300 23 F C 2.511 178.307 175.800 -0.006 0.000 1.086 23 F CA 0.992 59.024 58.000 0.054 0.000 1.375 23 F CB -0.976 38.030 39.000 0.010 0.000 1.045 23 F HN -0.103 nan 8.300 nan 0.000 0.516 24 G N 1.023 109.895 108.800 0.120 0.000 2.469 24 G HA2 -0.211 3.436 3.960 -0.522 0.000 0.219 24 G HA3 -0.211 3.436 3.960 -0.522 0.000 0.219 24 G C 0.775 175.678 174.900 0.005 0.000 1.150 24 G CA 0.838 45.924 45.100 -0.024 0.000 0.763 24 G HN 0.439 nan 8.290 nan 0.000 0.561 25 I N -4.287 116.296 120.570 0.021 0.000 2.330 25 I HA 0.684 4.541 4.170 -0.522 0.000 0.289 25 I C 0.481 176.582 176.117 -0.026 0.000 1.001 25 I CA -0.323 60.972 61.300 -0.008 0.000 1.193 25 I CB 1.855 39.857 38.000 0.003 0.000 1.345 25 I HN 0.398 nan 8.210 nan 0.000 0.461 26 A N 3.373 126.147 122.820 -0.078 0.000 3.599 26 A HA -0.183 3.824 4.320 -0.522 0.000 0.227 26 A C 1.203 178.741 177.584 -0.077 0.000 1.233 26 A CA 0.885 52.863 52.037 -0.099 0.000 1.418 26 A CB -2.634 16.280 19.000 -0.143 0.000 1.041 26 A HN 1.043 nan 8.150 nan 0.000 0.864 27 T N -3.037 111.525 114.554 0.013 0.000 3.014 27 T HA 0.548 4.585 4.350 -0.522 0.000 0.250 27 T C 1.867 176.553 174.700 -0.023 0.000 1.060 27 T CA 1.301 63.455 62.100 0.090 0.000 1.040 27 T CB -0.104 68.919 68.868 0.259 0.000 0.971 27 T HN 1.674 nan 8.240 nan 0.000 0.497 28 A N 2.210 124.966 122.820 -0.108 0.000 1.892 28 A HA -0.205 3.802 4.320 -0.522 0.000 0.218 28 A C 2.042 179.374 177.584 -0.419 0.000 1.188 28 A CA 1.945 53.825 52.037 -0.261 0.000 0.631 28 A CB -1.245 17.544 19.000 -0.351 0.000 0.822 28 A HN 0.788 nan 8.150 nan 0.000 0.447 29 H N -1.436 117.447 119.070 -0.311 0.000 2.495 29 H HA -0.021 4.222 4.556 -0.522 0.000 0.287 29 H C 0.356 175.249 175.328 -0.723 0.000 1.033 29 H CA 0.459 56.168 56.048 -0.565 0.000 1.307 29 H CB 0.064 29.638 29.762 -0.313 0.000 1.401 29 H HN 0.512 nan 8.280 nan 0.000 0.555 30 D N 0.431 120.681 120.400 -0.250 0.000 2.608 30 D HA -0.034 4.293 4.640 -0.522 0.000 0.224 30 D C 0.454 176.647 176.300 -0.178 0.000 1.123 30 D CA -0.138 53.773 54.000 -0.147 0.000 1.030 30 D CB -0.655 40.148 40.800 0.005 0.000 1.093 30 D HN 0.177 nan 8.370 nan 0.000 0.497 31 F N 0.898 120.743 119.950 -0.175 0.000 2.102 31 F HA -0.064 4.149 4.527 -0.522 0.000 0.298 31 F C 1.527 177.046 175.800 -0.467 0.000 1.105 31 F CA 0.560 58.279 58.000 -0.469 0.000 1.239 31 F CB -0.340 38.495 39.000 -0.276 0.000 0.991 31 F HN 0.164 nan 8.300 nan 0.000 0.474 32 E N 0.914 121.088 120.200 -0.043 0.000 2.452 32 E HA -0.006 4.031 4.350 -0.522 0.000 0.261 32 E C 0.468 177.024 176.600 -0.073 0.000 0.987 32 E CA 0.567 56.936 56.400 -0.052 0.000 0.926 32 E CB 0.240 29.939 29.700 -0.002 0.000 0.934 32 E HN 0.140 nan 8.360 nan 0.000 0.452 33 S N 1.199 116.868 115.700 -0.052 0.000 3.631 33 S HA -0.216 3.940 4.470 -0.522 0.000 0.366 33 S C -0.593 174.055 174.600 0.079 0.000 0.993 33 S CA 1.219 59.427 58.200 0.013 0.000 1.167 33 S CB -1.974 61.244 63.200 0.030 0.000 0.909 33 S HN 0.661 nan 8.310 nan 0.000 0.478 34 H N -1.899 117.223 119.070 0.087 0.000 2.609 34 H HA 0.728 4.971 4.556 -0.522 0.000 0.344 34 H C 0.412 175.826 175.328 0.145 0.000 1.040 34 H CA -0.594 55.536 56.048 0.136 0.000 1.216 34 H CB 0.597 30.484 29.762 0.208 0.000 1.529 34 H HN -0.095 nan 8.280 nan 0.000 0.519 35 D N 1.907 122.510 120.400 0.338 0.000 5.213 35 D HA -0.347 3.980 4.640 -0.522 0.000 0.338 35 D C 0.925 177.338 176.300 0.188 0.000 1.790 35 D CA 2.704 56.849 54.000 0.242 0.000 0.998 35 D CB -0.457 40.492 40.800 0.249 0.000 0.425 35 D HN 0.813 nan 8.370 nan 0.000 1.090 36 D N -0.035 120.501 120.400 0.226 0.000 2.218 36 D HA -0.012 4.314 4.640 -0.522 0.000 0.204 36 D C 1.091 177.431 176.300 0.067 0.000 0.976 36 D CA 0.580 54.664 54.000 0.139 0.000 0.853 36 D CB -0.311 40.580 40.800 0.152 0.000 0.939 36 D HN 0.519 nan 8.370 nan 0.000 0.481 37 I N -0.954 119.639 120.570 0.037 0.000 2.385 37 I HA 0.457 4.314 4.170 -0.522 0.000 0.294 37 I C 0.084 176.203 176.117 0.004 0.000 0.988 37 I CA -0.634 60.658 61.300 -0.013 0.000 1.265 37 I CB 1.963 39.924 38.000 -0.065 0.000 1.388 37 I HN -0.241 nan 8.210 nan 0.000 0.480 38 T N -0.101 114.453 114.554 0.001 0.000 2.909 38 T HA 0.395 4.432 4.350 -0.522 0.000 0.299 38 T C 0.489 175.203 174.700 0.024 0.000 1.073 38 T CA -0.645 61.467 62.100 0.019 0.000 0.999 38 T CB 1.707 70.594 68.868 0.031 0.000 1.098 38 T HN 0.821 nan 8.240 nan 0.000 0.477 39 E N 1.363 121.594 120.200 0.051 0.000 2.267 39 E HA -0.097 3.940 4.350 -0.522 0.000 0.197 39 E C 1.941 178.640 176.600 0.165 0.000 0.998 39 E CA 1.562 58.023 56.400 0.103 0.000 0.830 39 E CB -0.624 29.159 29.700 0.138 0.000 0.751 39 E HN 0.887 nan 8.360 nan 0.000 0.491 40 G N 0.226 109.089 108.800 0.105 0.000 2.411 40 G HA2 -0.196 3.451 3.960 -0.522 0.000 0.213 40 G HA3 -0.196 3.451 3.960 -0.522 0.000 0.213 40 G C 1.535 176.472 174.900 0.062 0.000 1.166 40 G CA 0.394 45.554 45.100 0.100 0.000 0.802 40 G HN 0.091 nan 8.290 nan 0.000 0.533 41 R N -0.438 120.076 120.500 0.024 0.000 2.126 41 R HA -0.033 3.994 4.340 -0.522 0.000 0.224 41 R C 2.415 178.653 176.300 -0.104 0.000 1.128 41 R CA 1.509 57.594 56.100 -0.025 0.000 0.895 41 R CB -0.890 29.394 30.300 -0.026 0.000 0.817 41 R HN 0.245 nan 8.270 nan 0.000 0.435 42 L N 0.122 121.261 121.223 -0.140 0.000 2.059 42 L HA -0.360 3.666 4.340 -0.522 0.000 0.242 42 L C 1.799 178.485 176.870 -0.306 0.000 1.107 42 L CA 2.278 56.969 54.840 -0.249 0.000 0.836 42 L CB -1.246 40.691 42.059 -0.203 0.000 0.933 42 L HN 0.406 nan 8.230 nan 0.000 0.446 43 Y N -0.272 119.850 120.300 -0.295 0.000 1.929 43 Y HA -0.446 3.791 4.550 -0.522 0.000 0.247 43 Y C 2.824 178.432 175.900 -0.487 0.000 1.176 43 Y CA 2.476 60.275 58.100 -0.502 0.000 1.075 43 Y CB -0.783 37.247 38.460 -0.717 0.000 0.907 43 Y HN 0.423 nan 8.280 nan 0.000 0.499 44 Q N -0.674 119.026 119.800 -0.168 0.000 2.217 44 Q HA -0.252 3.775 4.340 -0.522 0.000 0.209 44 Q C 1.763 177.767 176.000 0.007 0.000 0.988 44 Q CA 1.385 57.229 55.803 0.068 0.000 0.878 44 Q CB -0.314 28.526 28.738 0.169 0.000 0.909 44 Q HN 0.410 nan 8.270 nan 0.000 0.424 45 N N 0.534 119.095 118.700 -0.232 0.000 2.521 45 N HA -0.060 4.367 4.740 -0.522 0.000 0.188 45 N C 1.342 176.354 175.510 -0.830 0.000 1.146 45 N CA 0.459 53.203 53.050 -0.509 0.000 0.893 45 N CB 0.296 38.369 38.487 -0.690 0.000 0.975 45 N HN 0.445 nan 8.380 nan 0.000 0.451 46 I N -3.500 116.797 120.570 -0.456 0.000 4.035 46 I HA 0.206 4.063 4.170 -0.522 0.000 0.321 46 I C 1.688 177.770 176.117 -0.058 0.000 1.289 46 I CA -0.119 61.025 61.300 -0.260 0.000 1.236 46 I CB -0.176 37.685 38.000 -0.233 0.000 1.076 46 I HN -0.204 nan 8.210 nan 0.000 0.418 47 F N 2.264 122.216 119.950 0.003 0.000 2.094 47 F HA 0.187 4.401 4.527 -0.522 0.000 0.291 47 F C 2.417 178.513 175.800 0.494 0.000 1.109 47 F CA 1.468 59.689 58.000 0.369 0.000 1.221 47 F CB 0.046 39.329 39.000 0.473 0.000 1.014 47 F HN 0.066 nan 8.300 nan 0.000 0.473 48 A N -0.742 122.220 122.820 0.235 0.000 2.239 48 A HA 0.019 4.026 4.320 -0.522 0.000 0.209 48 A C 2.003 179.681 177.584 0.156 0.000 1.171 48 A CA 1.189 53.316 52.037 0.151 0.000 0.768 48 A CB -0.795 18.294 19.000 0.148 0.000 0.790 48 A HN 0.448 nan 8.150 nan 0.000 0.478 49 S N 0.431 116.225 115.700 0.157 0.000 2.331 49 S HA -0.105 4.052 4.470 -0.522 0.000 0.208 49 S C 1.678 176.392 174.600 0.190 0.000 1.032 49 S CA 1.215 59.508 58.200 0.155 0.000 0.991 49 S CB -0.575 62.710 63.200 0.141 0.000 0.980 49 S HN 0.952 nan 8.310 nan 0.000 0.433 50 H N 0.263 119.325 119.070 -0.013 0.000 2.682 50 H HA 0.260 4.503 4.556 -0.522 0.000 0.293 50 H C 0.667 175.890 175.328 -0.174 0.000 1.080 50 H CA -0.355 55.642 56.048 -0.085 0.000 1.189 50 H CB -1.157 28.548 29.762 -0.095 0.000 1.311 50 H HN 0.418 nan 8.280 nan 0.000 0.599 51 F N -0.055 119.804 119.950 -0.151 0.000 2.622 51 F HA 0.254 4.468 4.527 -0.522 0.000 0.288 51 F C 2.488 178.202 175.800 -0.143 0.000 1.120 51 F CA 0.241 58.085 58.000 -0.259 0.000 1.423 51 F CB 0.495 39.304 39.000 -0.320 0.000 1.127 51 F HN 0.439 nan 8.300 nan 0.000 0.588 52 G N -0.271 108.605 108.800 0.127 0.000 2.509 52 G HA2 -0.081 3.565 3.960 -0.522 0.000 0.218 52 G HA3 -0.081 3.565 3.960 -0.522 0.000 0.218 52 G C 0.951 175.855 174.900 0.007 0.000 1.124 52 G CA 0.284 45.425 45.100 0.068 0.000 0.776 52 G HN 0.113 nan 8.290 nan 0.000 0.547 53 Q N -1.252 118.537 119.800 -0.019 0.000 2.189 53 Q HA 0.483 4.510 4.340 -0.522 0.000 0.193 53 Q C 1.327 177.190 176.000 -0.228 0.000 1.034 53 Q CA -0.775 54.961 55.803 -0.112 0.000 1.062 53 Q CB 0.733 29.422 28.738 -0.081 0.000 1.118 53 Q HN 0.014 nan 8.270 nan 0.000 0.569 54 L N -1.062 119.963 121.223 -0.329 0.000 5.147 54 L HA -0.413 3.613 4.340 -0.522 0.000 0.401 54 L C 1.625 178.094 176.870 -0.667 0.000 0.896 54 L CA 2.543 57.049 54.840 -0.557 0.000 2.095 54 L CB -2.248 39.505 42.059 -0.509 0.000 1.071 54 L HN 0.786 nan 8.230 nan 0.000 0.628 55 A N -0.975 121.646 122.820 -0.331 0.000 1.902 55 A HA -0.085 3.922 4.320 -0.522 0.000 0.217 55 A C 1.904 179.418 177.584 -0.118 0.000 1.181 55 A CA 2.093 54.020 52.037 -0.185 0.000 0.623 55 A CB -0.403 18.563 19.000 -0.056 0.000 0.818 55 A HN 0.431 nan 8.150 nan 0.000 0.443 56 I N -0.432 120.076 120.570 -0.104 0.000 3.059 56 I HA 0.026 3.883 4.170 -0.522 0.000 0.270 56 I C 1.950 178.071 176.117 0.007 0.000 1.238 56 I CA 0.591 61.874 61.300 -0.029 0.000 1.478 56 I CB -0.978 36.997 38.000 -0.042 0.000 1.097 56 I HN 0.278 nan 8.210 nan 0.000 0.455 57 I N -0.126 120.393 120.570 -0.084 0.000 2.928 57 I HA -0.200 3.657 4.170 -0.522 0.000 0.266 57 I C 1.872 178.241 176.117 0.420 0.000 1.234 57 I CA 0.864 62.212 61.300 0.080 0.000 1.483 57 I CB -0.084 37.872 38.000 -0.073 0.000 1.097 57 I HN 0.021 nan 8.210 nan 0.000 0.455 58 F N -0.331 119.688 119.950 0.115 0.000 2.656 58 F HA 0.146 4.361 4.527 -0.521 0.000 0.291 58 F C 2.011 177.845 175.800 0.056 0.000 1.122 58 F CA 0.305 58.336 58.000 0.050 0.000 1.427 58 F CB -0.727 38.235 39.000 -0.063 0.000 1.125 58 F HN -0.068 nan 8.300 nan 0.000 0.583 59 L N -1.769 119.607 121.223 0.255 0.000 2.478 59 L HA -0.156 3.871 4.340 -0.522 0.000 0.223 59 L C 2.084 179.104 176.870 0.250 0.000 1.140 59 L CA 0.561 55.509 54.840 0.180 0.000 0.842 59 L CB -0.125 42.011 42.059 0.128 0.000 0.953 59 L HN 0.287 nan 8.230 nan 0.000 0.452 60 W N 0.615 121.971 121.300 0.093 0.000 2.501 60 W HA -0.108 4.239 4.660 -0.521 0.000 0.309 60 W C 2.459 179.049 176.519 0.119 0.000 1.165 60 W CA 1.600 59.002 57.345 0.096 0.000 1.381 60 W CB -0.535 28.982 29.460 0.095 0.000 1.142 60 W HN -0.079 nan 8.180 nan 0.000 0.509 61 T N 0.606 115.264 114.554 0.174 0.000 2.720 61 T HA -0.272 3.765 4.350 -0.522 0.000 0.268 61 T C 2.061 176.736 174.700 -0.042 0.000 1.037 61 T CA 2.458 64.534 62.100 -0.040 0.000 1.144 61 T CB -1.127 67.796 68.868 0.092 0.000 0.864 61 T HN 0.331 nan 8.240 nan 0.000 0.444 62 S N 1.950 117.658 115.700 0.012 0.000 2.369 62 S HA -0.131 4.026 4.470 -0.522 0.000 0.225 62 S C 2.441 177.079 174.600 0.064 0.000 1.043 62 S CA 1.560 59.758 58.200 -0.004 0.000 1.074 62 S CB -1.407 61.786 63.200 -0.013 0.000 0.962 62 S HN 0.551 nan 8.310 nan 0.000 0.433 63 G N 1.905 110.759 108.800 0.090 0.000 2.443 63 G HA2 -0.129 3.518 3.960 -0.522 0.000 0.219 63 G HA3 -0.129 3.518 3.960 -0.522 0.000 0.219 63 G C 1.425 176.429 174.900 0.173 0.000 1.131 63 G CA 0.690 45.910 45.100 0.200 0.000 0.775 63 G HN 0.550 nan 8.290 nan 0.000 0.547 64 N N 0.737 119.444 118.700 0.013 0.000 2.120 64 N HA -0.036 4.391 4.740 -0.522 0.000 0.188 64 N C 2.067 177.618 175.510 0.068 0.000 1.024 64 N CA 0.705 53.731 53.050 -0.039 0.000 0.852 64 N CB -0.333 38.012 38.487 -0.237 0.000 1.003 64 N HN 0.306 nan 8.380 nan 0.000 0.424 65 L N -1.061 120.213 121.223 0.086 0.000 2.554 65 L HA 0.098 4.125 4.340 -0.522 0.000 0.226 65 L C 1.299 178.298 176.870 0.215 0.000 1.137 65 L CA 0.236 55.180 54.840 0.174 0.000 0.863 65 L CB -0.120 41.959 42.059 0.032 0.000 0.985 65 L HN 0.060 nan 8.230 nan 0.000 0.451 66 F N -1.567 118.412 119.950 0.050 0.000 2.704 66 F HA 0.135 4.348 4.527 -0.523 0.000 0.304 66 F C 1.687 177.540 175.800 0.089 0.000 1.094 66 F CA -0.060 57.949 58.000 0.016 0.000 1.275 66 F CB 0.176 39.173 39.000 -0.005 0.000 1.073 66 F HN 0.011 nan 8.300 nan 0.000 0.586 67 H N 0.108 119.268 119.070 0.150 0.000 2.538 67 H HA 0.394 4.636 4.556 -0.522 0.000 0.286 67 H C -0.838 174.540 175.328 0.084 0.000 1.035 67 H CA 0.167 56.314 56.048 0.165 0.000 1.169 67 H CB 0.223 30.117 29.762 0.221 0.000 1.417 67 H HN -0.034 nan 8.280 nan 0.000 0.567 68 V N -0.241 119.675 119.914 0.004 0.000 2.656 68 V HA 0.542 4.349 4.120 -0.522 0.000 0.307 68 V C 0.522 176.416 176.094 -0.333 0.000 1.051 68 V CA 0.081 62.272 62.300 -0.182 0.000 0.893 68 V CB 1.422 33.039 31.823 -0.344 0.000 0.999 68 V HN 0.403 nan 8.190 nan 0.000 0.426 69 A N 3.640 126.246 122.820 -0.357 0.000 3.629 69 A HA -0.145 3.862 4.320 -0.522 0.000 0.224 69 A C 0.821 178.117 177.584 -0.480 0.000 1.104 69 A CA 1.217 52.954 52.037 -0.500 0.000 1.660 69 A CB -2.134 16.469 19.000 -0.661 0.000 0.911 69 A HN 1.529 nan 8.150 nan 0.000 0.805 70 W N 0.904 121.813 121.300 -0.651 0.000 2.453 70 W HA 0.397 4.744 4.660 -0.523 0.000 0.289 70 W C 0.650 177.058 176.519 -0.185 0.000 1.215 70 W CA 1.522 58.727 57.345 -0.233 0.000 1.297 70 W CB -0.807 28.626 29.460 -0.045 0.000 1.113 70 W HN 1.016 nan 8.180 nan 0.000 0.551 71 Q N 0.905 120.589 119.800 -0.193 0.000 2.421 71 Q HA 0.497 4.523 4.340 -0.522 0.000 0.280 71 Q C -0.191 175.730 176.000 -0.132 0.000 1.085 71 Q CA -0.299 55.358 55.803 -0.245 0.000 0.807 71 Q CB 2.175 30.647 28.738 -0.442 0.000 1.405 71 Q HN 0.457 nan 8.270 nan 0.000 0.419 72 G N 2.617 111.379 108.800 -0.063 0.000 3.307 72 G HA2 -0.165 3.482 3.960 -0.522 0.000 0.686 72 G HA3 -0.165 3.482 3.960 -0.522 0.000 0.686 72 G C -0.941 174.009 174.900 0.084 0.000 0.983 72 G CA -0.449 44.665 45.100 0.024 0.000 0.804 72 G HN 0.764 nan 8.290 nan 0.000 0.531 73 N N 1.863 120.666 118.700 0.173 0.000 2.492 73 N HA 0.277 4.704 4.740 -0.522 0.000 0.262 73 N C 0.960 176.738 175.510 0.448 0.000 1.202 73 N CA 0.154 53.344 53.050 0.233 0.000 0.926 73 N CB 1.173 39.790 38.487 0.217 0.000 1.078 73 N HN 0.445 nan 8.380 nan 0.000 0.454 74 F N 0.788 120.653 119.950 -0.142 0.000 2.222 74 F HA -0.005 4.208 4.527 -0.523 0.000 0.285 74 F C 2.362 178.175 175.800 0.023 0.000 1.068 74 F CA -0.035 57.930 58.000 -0.058 0.000 1.265 74 F CB 0.183 39.034 39.000 -0.249 0.000 1.087 74 F HN 0.501 nan 8.300 nan 0.000 0.511 75 E N 0.799 121.120 120.200 0.202 0.000 2.501 75 E HA -0.170 3.866 4.350 -0.522 0.000 0.203 75 E C 1.560 178.202 176.600 0.070 0.000 1.072 75 E CA 0.534 57.005 56.400 0.118 0.000 0.885 75 E CB 0.086 29.834 29.700 0.080 0.000 0.813 75 E HN 0.400 nan 8.360 nan 0.000 0.556 76 A N -0.363 122.509 122.820 0.087 0.000 1.973 76 A HA -0.030 3.977 4.320 -0.522 0.000 0.210 76 A C 1.625 179.226 177.584 0.028 0.000 1.200 76 A CA -0.005 52.058 52.037 0.044 0.000 0.707 76 A CB -0.710 18.317 19.000 0.044 0.000 0.862 76 A HN 0.540 nan 8.150 nan 0.000 0.461 77 W N 1.065 122.297 121.300 -0.114 0.000 2.402 77 W HA -0.152 4.194 4.660 -0.523 0.000 0.286 77 W C 2.042 178.289 176.519 -0.452 0.000 1.221 77 W CA 2.267 59.471 57.345 -0.235 0.000 1.257 77 W CB 0.208 29.599 29.460 -0.115 0.000 1.120 77 W HN 0.236 nan 8.180 nan 0.000 0.551 78 V N -0.320 119.396 119.914 -0.329 0.000 2.488 78 V HA -0.224 3.583 4.120 -0.522 0.000 0.246 78 V C 2.106 177.982 176.094 -0.364 0.000 1.046 78 V CA 1.814 63.787 62.300 -0.545 0.000 1.053 78 V CB -0.719 30.937 31.823 -0.277 0.000 0.679 78 V HN 0.126 nan 8.190 nan 0.000 0.458 79 Q N 1.994 121.667 119.800 -0.211 0.000 2.152 79 Q HA -0.051 3.976 4.340 -0.522 0.000 0.206 79 Q C 0.200 176.069 176.000 -0.217 0.000 0.985 79 Q CA 1.918 57.639 55.803 -0.138 0.000 0.863 79 Q CB -0.551 28.135 28.738 -0.087 0.000 0.904 79 Q HN 1.174 nan 8.270 nan 0.000 0.422 80 D N -2.742 117.443 120.400 -0.358 0.000 2.289 80 D HA 0.056 4.383 4.640 -0.522 0.000 0.128 80 D C -3.032 172.925 176.300 -0.572 0.000 0.893 80 D CA -0.933 52.768 54.000 -0.499 0.000 1.186 80 D CB -0.388 40.233 40.800 -0.298 0.000 4.254 80 D HN -0.122 nan 8.370 nan 0.000 0.630 81 P HA 0.561 nan 4.420 nan 0.000 0.301 81 P C -1.468 175.457 177.300 -0.626 0.000 1.385 81 P CA -0.459 62.056 63.100 -0.976 0.000 0.902 81 P CB 0.477 30.924 31.700 -2.087 0.000 0.965 82 F N 3.206 122.903 119.950 -0.422 0.000 2.469 82 F HA 0.270 4.483 4.527 -0.523 0.000 0.332 82 F C 1.654 177.383 175.800 -0.119 0.000 1.103 82 F CA -0.780 57.042 58.000 -0.296 0.000 0.979 82 F CB 1.216 40.079 39.000 -0.228 0.000 1.137 82 F HN 0.478 nan 8.300 nan 0.000 0.463 83 H N 4.281 123.108 119.070 -0.404 0.000 5.564 83 H HA 0.174 4.417 4.556 -0.522 0.000 0.132 83 H C -0.841 174.484 175.328 -0.005 0.000 0.463 83 H CA -0.003 55.947 56.048 -0.164 0.000 1.272 83 H CB -1.259 28.411 29.762 -0.153 0.000 1.393 83 H HN 0.293 nan 8.280 nan 0.000 1.027 84 V N -1.000 119.040 119.914 0.211 0.000 2.325 84 V HA 0.317 4.124 4.120 -0.522 0.000 0.280 84 V C 0.493 176.611 176.094 0.039 0.000 1.016 84 V CA -1.340 61.029 62.300 0.116 0.000 0.818 84 V CB 1.141 33.049 31.823 0.142 0.000 1.019 84 V HN 0.698 nan 8.190 nan 0.000 0.434 85 R N 1.627 122.103 120.500 -0.040 0.000 3.336 85 R HA -0.106 3.921 4.340 -0.522 0.000 0.260 85 R C -2.211 173.999 176.300 -0.150 0.000 1.032 85 R CA 0.700 56.735 56.100 -0.109 0.000 0.693 85 R CB -1.525 28.738 30.300 -0.061 0.000 1.134 85 R HN 0.767 nan 8.270 nan 0.000 0.433 86 P HA 0.122 nan 4.420 nan 0.000 0.271 86 P C -0.183 176.771 177.300 -0.576 0.000 1.216 86 P CA -0.045 62.763 63.100 -0.487 0.000 0.776 86 P CB 0.679 31.787 31.700 -0.986 0.000 0.881 87 I N 2.253 122.609 120.570 -0.357 0.000 2.359 87 I HA 0.268 4.124 4.170 -0.522 0.000 0.294 87 I C 1.518 177.700 176.117 0.109 0.000 0.987 87 I CA -0.554 60.695 61.300 -0.086 0.000 1.225 87 I CB 0.777 38.774 38.000 -0.006 0.000 1.366 87 I HN 0.427 nan 8.210 nan 0.000 0.466 88 A N 5.628 128.530 122.820 0.136 0.000 1.840 88 A HA 0.005 4.011 4.320 -0.522 0.000 0.214 88 A C 0.769 178.531 177.584 0.297 0.000 1.198 88 A CA 1.558 53.741 52.037 0.244 0.000 0.608 88 A CB -0.315 18.859 19.000 0.290 0.000 0.839 88 A HN 0.832 nan 8.150 nan 0.000 0.443 89 H N -3.028 116.093 119.070 0.085 0.000 2.960 89 H HA 0.682 4.924 4.556 -0.522 0.000 0.323 89 H C -1.270 174.086 175.328 0.046 0.000 1.326 89 H CA -0.467 55.641 56.048 0.100 0.000 1.124 89 H CB 0.895 30.600 29.762 -0.096 0.000 1.853 89 H HN 0.368 nan 8.280 nan 0.000 0.536 90 A N 2.342 125.105 122.820 -0.095 0.000 2.271 90 A HA 0.493 4.500 4.320 -0.522 0.000 0.317 90 A C 0.543 177.990 177.584 -0.229 0.000 1.245 90 A CA -0.856 51.081 52.037 -0.166 0.000 0.857 90 A CB -0.110 18.861 19.000 -0.049 0.000 1.175 90 A HN 0.670 nan 8.150 nan 0.000 0.512 91 I N 0.019 120.421 120.570 -0.279 0.000 2.588 91 I HA 0.322 4.178 4.170 -0.522 0.000 0.283 91 I C -0.347 175.692 176.117 -0.130 0.000 1.119 91 I CA -0.301 60.860 61.300 -0.232 0.000 1.419 91 I CB 0.790 38.627 38.000 -0.273 0.000 1.394 91 I HN 0.777 nan 8.210 nan 0.000 0.562 92 W N 8.869 129.992 121.300 -0.294 0.000 2.387 92 W HA 0.324 4.671 4.660 -0.522 0.000 0.285 92 W C -1.634 174.720 176.519 -0.276 0.000 1.011 92 W CA -0.754 56.433 57.345 -0.263 0.000 1.576 92 W CB 1.106 30.488 29.460 -0.130 0.000 1.540 92 W HN 0.797 nan 8.180 nan 0.000 0.383 93 D N 4.212 124.197 120.400 -0.693 0.000 2.492 93 D HA 0.374 4.700 4.640 -0.522 0.000 0.248 93 D C -2.028 174.033 176.300 -0.398 0.000 1.101 93 D CA -2.154 51.559 54.000 -0.479 0.000 0.840 93 D CB 2.225 42.846 40.800 -0.299 0.000 1.209 93 D HN -0.053 nan 8.370 nan 0.000 0.524 94 P HA -0.154 nan 4.420 nan 0.000 0.220 94 P C 0.614 177.867 177.300 -0.079 0.000 1.144 94 P CA 1.191 64.185 63.100 -0.177 0.000 0.800 94 P CB 0.093 31.759 31.700 -0.058 0.000 0.772 95 H N -2.648 116.356 119.070 -0.110 0.000 2.491 95 H HA 0.030 4.272 4.556 -0.522 0.000 0.290 95 H C 0.723 176.035 175.328 -0.026 0.000 1.050 95 H CA 0.152 56.162 56.048 -0.064 0.000 1.309 95 H CB -0.892 28.829 29.762 -0.068 0.000 1.392 95 H HN 0.076 nan 8.280 nan 0.000 0.554 96 F N 0.809 120.659 119.950 -0.167 0.000 2.589 96 F HA 0.216 4.430 4.527 -0.522 0.000 0.352 96 F C 1.611 177.292 175.800 -0.197 0.000 1.168 96 F CA 0.338 58.193 58.000 -0.242 0.000 1.353 96 F CB 0.238 39.045 39.000 -0.321 0.000 1.116 96 F HN 0.099 nan 8.300 nan 0.000 0.608 97 G N 1.614 110.304 108.800 -0.184 0.000 2.543 97 G HA2 0.167 3.813 3.960 -0.522 0.000 0.290 97 G HA3 0.167 3.813 3.960 -0.522 0.000 0.290 97 G C 0.443 175.285 174.900 -0.096 0.000 1.310 97 G CA -0.310 44.706 45.100 -0.140 0.000 1.025 97 G HN 0.498 nan 8.290 nan 0.000 0.502 98 Q N -0.279 119.478 119.800 -0.072 0.000 2.046 98 Q HA -0.030 3.997 4.340 -0.522 0.000 0.200 98 Q C -0.084 175.891 176.000 -0.043 0.000 0.975 98 Q CA 1.287 57.064 55.803 -0.043 0.000 0.836 98 Q CB -1.182 27.537 28.738 -0.031 0.000 0.896 98 Q HN 0.253 nan 8.270 nan 0.000 0.428 99 P HA -0.186 nan 4.420 nan 0.000 0.226 99 P C 0.436 177.700 177.300 -0.059 0.000 1.139 99 P CA 1.434 64.499 63.100 -0.058 0.000 0.777 99 P CB -0.339 31.307 31.700 -0.089 0.000 0.757 100 A N -0.754 122.018 122.820 -0.081 0.000 1.972 100 A HA -0.147 3.860 4.320 -0.522 0.000 0.219 100 A C 2.298 179.955 177.584 0.121 0.000 1.169 100 A CA 1.515 53.561 52.037 0.016 0.000 0.635 100 A CB -1.405 17.668 19.000 0.122 0.000 0.810 100 A HN 0.115 nan 8.150 nan 0.000 0.446 101 V N 0.532 120.484 119.914 0.063 0.000 2.392 101 V HA -0.178 3.628 4.120 -0.522 0.000 0.249 101 V C 1.385 177.523 176.094 0.075 0.000 1.059 101 V CA 1.543 63.878 62.300 0.059 0.000 1.051 101 V CB -0.828 31.013 31.823 0.029 0.000 0.658 101 V HN 0.698 nan 8.190 nan 0.000 0.455 102 E N 0.453 120.700 120.200 0.077 0.000 2.392 102 E HA 0.323 4.360 4.350 -0.522 0.000 0.264 102 E C 0.384 177.073 176.600 0.148 0.000 1.024 102 E CA 0.073 56.524 56.400 0.086 0.000 0.903 102 E CB 0.793 30.538 29.700 0.075 0.000 0.963 102 E HN 0.450 nan 8.360 nan 0.000 0.432 103 A N 3.786 126.652 122.820 0.075 0.000 2.555 103 A HA 0.069 4.076 4.320 -0.522 0.000 0.233 103 A C 0.035 177.605 177.584 -0.023 0.000 1.060 103 A CA 0.546 52.609 52.037 0.042 0.000 0.759 103 A CB -0.464 18.521 19.000 -0.026 0.000 0.995 103 A HN 0.914 nan 8.150 nan 0.000 0.506 104 F N -1.001 118.993 119.950 0.073 0.000 2.937 104 F HA -0.197 4.017 4.527 -0.522 0.000 0.290 104 F C 0.366 176.206 175.800 0.067 0.000 0.802 104 F CA 0.841 58.909 58.000 0.114 0.000 1.336 104 F CB -1.838 37.251 39.000 0.149 0.000 1.438 104 F HN 0.954 nan 8.300 nan 0.000 0.469 105 T N -0.838 113.798 114.554 0.136 0.000 3.153 105 T HA 0.157 4.194 4.350 -0.522 0.000 0.427 105 T C -0.806 173.911 174.700 0.028 0.000 1.464 105 T CA -1.092 61.050 62.100 0.070 0.000 1.005 105 T CB 0.628 69.544 68.868 0.081 0.000 1.594 105 T HN 0.215 nan 8.240 nan 0.000 0.444 106 R N 2.098 122.604 120.500 0.010 0.000 2.547 106 R HA 0.627 4.654 4.340 -0.522 0.000 0.280 106 R C 1.123 177.421 176.300 -0.004 0.000 1.630 106 R CA 0.881 56.979 56.100 -0.004 0.000 1.470 106 R CB 0.602 30.892 30.300 -0.018 0.000 1.178 106 R HN 1.167 nan 8.270 nan 0.000 0.591 107 G N 0.896 109.696 108.800 0.000 0.000 2.620 107 G HA2 -0.438 3.208 3.960 -0.522 0.000 0.315 107 G HA3 -0.438 3.208 3.960 -0.522 0.000 0.315 107 G C 1.123 176.021 174.900 -0.002 0.000 1.179 107 G CA 0.318 45.417 45.100 -0.002 0.000 0.971 107 G HN 0.631 nan 8.290 nan 0.000 0.544 108 G N 1.170 109.968 108.800 -0.004 0.000 2.459 108 G HA2 0.346 3.993 3.960 -0.522 0.000 0.217 108 G HA3 0.346 3.993 3.960 -0.522 0.000 0.217 108 G C 1.268 176.163 174.900 -0.008 0.000 1.183 108 G CA 2.583 47.680 45.100 -0.004 0.000 0.776 108 G HN 2.029 nan 8.290 nan 0.000 0.552 109 A N -0.055 122.758 122.820 -0.012 0.000 2.407 109 A HA 0.474 4.481 4.320 -0.522 0.000 0.248 109 A C 1.558 179.130 177.584 -0.019 0.000 1.082 109 A CA 0.099 52.121 52.037 -0.025 0.000 0.785 109 A CB 0.512 19.488 19.000 -0.039 0.000 1.020 109 A HN 0.773 nan 8.150 nan 0.000 0.489 110 L N 2.610 123.819 121.223 -0.023 0.000 2.027 110 L HA 0.204 4.231 4.340 -0.522 0.000 0.206 110 L C 1.400 178.267 176.870 -0.005 0.000 1.074 110 L CA 1.495 56.329 54.840 -0.010 0.000 0.745 110 L CB -1.576 40.476 42.059 -0.011 0.000 0.898 110 L HN 0.593 nan 8.230 nan 0.000 0.433 111 G N 0.540 109.325 108.800 -0.026 0.000 2.554 111 G HA2 0.421 4.068 3.960 -0.522 0.000 0.238 111 G HA3 0.421 4.068 3.960 -0.522 0.000 0.238 111 G C -2.579 172.319 174.900 -0.004 0.000 1.259 111 G CA -0.663 44.427 45.100 -0.017 0.000 0.843 111 G HN 0.171 nan 8.290 nan 0.000 0.582 112 P HA 0.377 nan 4.420 nan 0.000 0.286 112 P C -0.432 176.874 177.300 0.010 0.000 1.269 112 P CA -0.243 62.896 63.100 0.064 0.000 0.787 112 P CB 1.517 33.296 31.700 0.131 0.000 0.920 113 V N 2.216 122.131 119.914 0.002 0.000 3.159 113 V HA 0.361 4.168 4.120 -0.522 0.000 0.308 113 V C 0.980 177.050 176.094 -0.040 0.000 1.190 113 V CA -0.700 61.547 62.300 -0.088 0.000 1.037 113 V CB 2.043 33.788 31.823 -0.130 0.000 1.060 113 V HN 0.205 nan 8.190 nan 0.000 0.437 114 N N 1.353 120.015 118.700 -0.065 0.000 2.416 114 N HA 0.053 4.480 4.740 -0.522 0.000 0.177 114 N C 0.377 175.953 175.510 0.111 0.000 1.036 114 N CA 0.993 54.086 53.050 0.070 0.000 0.901 114 N CB -0.072 38.495 38.487 0.134 0.000 0.976 114 N HN 1.020 nan 8.380 nan 0.000 0.444 115 N N -0.771 117.962 118.700 0.056 0.000 5.971 115 N HA -0.228 4.199 4.740 -0.522 0.000 0.390 115 N C -1.254 174.217 175.510 -0.065 0.000 1.130 115 N CA 0.630 53.659 53.050 -0.035 0.000 2.259 115 N CB -0.888 37.529 38.487 -0.118 0.000 0.654 115 N HN 0.044 nan 8.380 nan 0.000 0.614 116 A N 0.660 123.349 122.820 -0.218 0.000 2.260 116 A HA 0.646 4.652 4.320 -0.522 0.000 0.314 116 A C 0.133 177.536 177.584 -0.301 0.000 1.257 116 A CA -0.561 51.405 52.037 -0.119 0.000 0.871 116 A CB 0.015 19.015 19.000 -0.000 0.000 1.166 116 A HN 0.614 nan 8.150 nan 0.000 0.522 117 Y N 2.029 122.357 120.300 0.047 0.000 2.448 117 Y HA 0.048 4.285 4.550 -0.521 0.000 0.289 117 Y C 1.924 177.849 175.900 0.042 0.000 1.114 117 Y CA 1.160 59.283 58.100 0.038 0.000 1.235 117 Y CB 0.017 38.496 38.460 0.033 0.000 1.045 117 Y HN 0.600 nan 8.280 nan 0.000 0.554 118 S N 0.329 116.123 115.700 0.157 0.000 2.566 118 S HA 0.073 4.230 4.470 -0.522 0.000 0.280 118 S C 1.698 176.370 174.600 0.121 0.000 1.343 118 S CA 0.242 58.502 58.200 0.100 0.000 1.036 118 S CB 0.821 64.074 63.200 0.089 0.000 0.866 118 S HN 0.540 nan 8.310 nan 0.000 0.526 119 G N 2.594 111.458 108.800 0.107 0.000 2.443 119 G HA2 -0.108 3.539 3.960 -0.522 0.000 0.219 119 G HA3 -0.108 3.539 3.960 -0.522 0.000 0.219 119 G C 1.347 176.362 174.900 0.192 0.000 1.131 119 G CA 0.766 45.943 45.100 0.129 0.000 0.775 119 G HN 0.632 nan 8.290 nan 0.000 0.547 120 V N -0.171 119.931 119.914 0.313 0.000 2.324 120 V HA -0.276 3.530 4.120 -0.522 0.000 0.250 120 V C 2.284 178.797 176.094 0.697 0.000 1.060 120 V CA 1.809 64.635 62.300 0.878 0.000 1.042 120 V CB -0.727 31.552 31.823 0.761 0.000 0.650 120 V HN 0.454 nan 8.190 nan 0.000 0.450 121 Y N 0.679 121.074 120.300 0.158 0.000 2.151 121 Y HA -0.338 3.898 4.550 -0.522 0.000 0.284 121 Y C 2.704 178.534 175.900 -0.117 0.000 1.166 121 Y CA 2.200 60.219 58.100 -0.135 0.000 1.163 121 Y CB -0.131 37.959 38.460 -0.615 0.000 0.974 121 Y HN 0.308 nan 8.280 nan 0.000 0.511 122 Q N -1.069 118.869 119.800 0.230 0.000 2.224 122 Q HA -0.181 3.845 4.340 -0.522 0.000 0.203 122 Q C 1.987 178.156 176.000 0.282 0.000 0.970 122 Q CA 1.655 57.726 55.803 0.447 0.000 0.865 122 Q CB -0.623 28.378 28.738 0.438 0.000 0.922 122 Q HN 0.775 nan 8.270 nan 0.000 0.445 123 W N -0.857 120.348 121.300 -0.159 0.000 2.494 123 W HA -0.027 4.320 4.660 -0.523 0.000 0.286 123 W C 1.356 178.012 176.519 0.228 0.000 1.218 123 W CA 0.072 57.308 57.345 -0.181 0.000 1.313 123 W CB -1.420 27.861 29.460 -0.299 0.000 1.105 123 W HN 0.238 nan 8.180 nan 0.000 0.561 124 W N 1.950 123.149 121.300 -0.168 0.000 2.335 124 W HA -0.281 4.064 4.660 -0.525 0.000 0.311 124 W C 2.377 179.037 176.519 0.236 0.000 1.213 124 W CA 2.377 59.644 57.345 -0.130 0.000 1.274 124 W CB -1.628 27.765 29.460 -0.111 0.000 1.148 124 W HN 0.087 nan 8.180 nan 0.000 0.498 125 Y N 1.493 122.177 120.300 0.640 0.000 2.242 125 Y HA -0.146 4.093 4.550 -0.518 0.000 0.291 125 Y C 2.878 179.025 175.900 0.411 0.000 1.137 125 Y CA 2.865 61.242 58.100 0.461 0.000 1.181 125 Y CB -1.017 37.642 38.460 0.331 0.000 0.989 125 Y HN -0.078 nan 8.280 nan 0.000 0.527 126 T N 0.627 115.381 114.554 0.333 0.000 2.803 126 T HA -0.132 3.904 4.350 -0.522 0.000 0.269 126 T C 0.463 175.297 174.700 0.223 0.000 1.052 126 T CA 1.303 63.536 62.100 0.221 0.000 1.136 126 T CB -0.856 67.985 68.868 -0.045 0.000 0.864 126 T HN 0.333 nan 8.240 nan 0.000 0.467 127 I N -0.802 119.910 120.570 0.237 0.000 2.382 127 I HA 0.733 4.590 4.170 -0.522 0.000 0.286 127 I C 0.857 177.071 176.117 0.163 0.000 1.002 127 I CA -0.441 60.969 61.300 0.182 0.000 1.135 127 I CB 1.072 39.205 38.000 0.222 0.000 1.288 127 I HN 0.223 nan 8.210 nan 0.000 0.448 128 G N 5.530 114.391 108.800 0.102 0.000 2.652 128 G HA2 -0.359 3.288 3.960 -0.522 0.000 0.318 128 G HA3 -0.359 3.288 3.960 -0.522 0.000 0.318 128 G C 0.506 175.601 174.900 0.325 0.000 1.295 128 G CA 0.628 45.826 45.100 0.164 0.000 0.999 128 G HN 1.827 nan 8.290 nan 0.000 0.548 129 L N -1.167 120.246 121.223 0.317 0.000 3.678 129 L HA -0.230 3.797 4.340 -0.522 0.000 0.425 129 L C 1.886 179.218 176.870 0.770 0.000 1.240 129 L CA 1.639 56.740 54.840 0.435 0.000 0.876 129 L CB -0.433 41.727 42.059 0.168 0.000 1.766 129 L HN 0.719 nan 8.230 nan 0.000 0.917 130 R N -0.915 119.908 120.500 0.537 0.000 2.066 130 R HA 0.067 4.093 4.340 -0.522 0.000 0.232 130 R C 0.695 177.298 176.300 0.505 0.000 1.131 130 R CA 1.764 58.195 56.100 0.552 0.000 0.955 130 R CB -0.039 30.510 30.300 0.415 0.000 0.851 130 R HN 0.422 nan 8.270 nan 0.000 0.432 131 T N 0.966 115.733 114.554 0.355 0.000 2.767 131 T HA 0.063 4.100 4.350 -0.522 0.000 0.284 131 T C 0.558 175.351 174.700 0.154 0.000 0.973 131 T CA -0.665 61.565 62.100 0.218 0.000 0.996 131 T CB 1.074 70.017 68.868 0.125 0.000 0.927 131 T HN 0.350 nan 8.240 nan 0.000 0.456 132 N N 3.746 122.516 118.700 0.116 0.000 2.289 132 N HA -0.141 4.286 4.740 -0.522 0.000 0.184 132 N C 1.096 176.633 175.510 0.045 0.000 1.016 132 N CA 1.200 54.280 53.050 0.050 0.000 0.872 132 N CB 0.070 38.586 38.487 0.049 0.000 0.973 132 N HN 0.565 nan 8.380 nan 0.000 0.433 133 E N 0.323 120.552 120.200 0.048 0.000 2.230 133 E HA -0.059 3.978 4.350 -0.522 0.000 0.192 133 E C 0.799 177.417 176.600 0.029 0.000 0.987 133 E CA 0.461 56.884 56.400 0.038 0.000 0.841 133 E CB -0.182 29.530 29.700 0.021 0.000 0.783 133 E HN 0.410 nan 8.360 nan 0.000 0.481 134 D N 0.811 121.239 120.400 0.046 0.000 2.183 134 D HA -0.032 4.295 4.640 -0.522 0.000 0.203 134 D C 0.600 176.936 176.300 0.061 0.000 0.969 134 D CA 0.527 54.551 54.000 0.040 0.000 0.842 134 D CB 0.200 41.052 40.800 0.087 0.000 0.957 134 D HN 0.151 nan 8.370 nan 0.000 0.484 135 L N -2.366 118.927 121.223 0.118 0.000 2.343 135 L HA 0.426 4.453 4.340 -0.522 0.000 0.278 135 L C -0.205 176.741 176.870 0.127 0.000 0.996 135 L CA -0.727 54.212 54.840 0.164 0.000 0.831 135 L CB 1.445 43.746 42.059 0.404 0.000 1.232 135 L HN -0.262 nan 8.230 nan 0.000 0.413 136 Y N 0.442 120.752 120.300 0.018 0.000 2.467 136 Y HA 0.212 4.449 4.550 -0.522 0.000 0.250 136 Y C 1.482 177.402 175.900 0.034 0.000 1.155 136 Y CA 0.025 58.141 58.100 0.026 0.000 1.249 136 Y CB 1.011 39.452 38.460 -0.033 0.000 1.146 136 Y HN 0.811 nan 8.280 nan 0.000 0.524 137 T N -0.256 114.368 114.554 0.115 0.000 2.930 137 T HA 0.421 4.458 4.350 -0.522 0.000 0.306 137 T C 0.801 175.449 174.700 -0.086 0.000 1.045 137 T CA 1.171 63.286 62.100 0.026 0.000 1.134 137 T CB 0.482 69.341 68.868 -0.015 0.000 0.961 137 T HN 0.648 nan 8.240 nan 0.000 0.545 138 G N 2.693 111.453 108.800 -0.066 0.000 2.123 138 G HA2 0.232 3.879 3.960 -0.522 0.000 0.100 138 G HA3 0.232 3.879 3.960 -0.522 0.000 0.100 138 G C 1.239 176.114 174.900 -0.042 0.000 1.023 138 G CA 0.356 45.391 45.100 -0.108 0.000 1.101 138 G HN 0.942 nan 8.290 nan 0.000 0.331 139 A N 1.109 123.940 122.820 0.018 0.000 1.883 139 A HA 0.072 4.079 4.320 -0.522 0.000 0.217 139 A C 2.571 180.152 177.584 -0.006 0.000 1.186 139 A CA 3.027 55.044 52.037 -0.033 0.000 0.624 139 A CB -1.038 17.915 19.000 -0.078 0.000 0.822 139 A HN 1.456 nan 8.150 nan 0.000 0.444 140 I N -3.099 117.514 120.570 0.071 0.000 2.113 140 I HA -0.287 3.570 4.170 -0.522 0.000 0.242 140 I C 2.348 178.647 176.117 0.303 0.000 1.064 140 I CA 2.345 63.736 61.300 0.151 0.000 1.320 140 I CB -0.654 37.446 38.000 0.167 0.000 1.028 140 I HN 0.358 nan 8.210 nan 0.000 0.406 141 F N 1.767 121.769 119.950 0.087 0.000 1.983 141 F HA -0.146 4.069 4.527 -0.520 0.000 0.295 141 F C 2.366 177.902 175.800 -0.441 0.000 1.197 141 F CA 1.926 59.813 58.000 -0.189 0.000 1.165 141 F CB -0.385 38.487 39.000 -0.214 0.000 0.970 141 F HN -0.078 nan 8.300 nan 0.000 0.488 142 L N 0.139 120.872 121.223 -0.817 0.000 2.230 142 L HA -0.322 3.704 4.340 -0.522 0.000 0.223 142 L C 2.248 178.790 176.870 -0.546 0.000 1.091 142 L CA 1.485 55.809 54.840 -0.861 0.000 0.807 142 L CB -0.895 40.868 42.059 -0.493 0.000 0.896 142 L HN 0.471 nan 8.230 nan 0.000 0.445 143 L N -0.516 120.528 121.223 -0.298 0.000 2.168 143 L HA -0.058 3.969 4.340 -0.522 0.000 0.203 143 L C 2.045 178.879 176.870 -0.061 0.000 1.078 143 L CA 1.121 55.893 54.840 -0.112 0.000 0.780 143 L CB -0.442 41.588 42.059 -0.049 0.000 0.939 143 L HN 0.286 nan 8.230 nan 0.000 0.451 144 F N -1.492 118.393 119.950 -0.109 0.000 2.773 144 F HA 0.012 4.225 4.527 -0.523 0.000 0.299 144 F C 1.396 177.134 175.800 -0.102 0.000 1.204 144 F CA 0.737 58.700 58.000 -0.061 0.000 1.454 144 F CB -0.146 38.858 39.000 0.006 0.000 1.117 144 F HN 0.168 nan 8.300 nan 0.000 0.590 145 L N 0.112 121.036 121.223 -0.500 0.000 2.590 145 L HA 0.063 4.090 4.340 -0.522 0.000 0.181 145 L C 2.576 179.401 176.870 -0.076 0.000 1.134 145 L CA 0.862 55.431 54.840 -0.451 0.000 0.850 145 L CB -0.434 41.078 42.059 -0.911 0.000 1.172 145 L HN 0.175 nan 8.230 nan 0.000 0.498 146 S N -0.431 115.287 115.700 0.030 0.000 2.584 146 S HA -0.159 3.997 4.470 -0.522 0.000 0.240 146 S C 1.867 176.511 174.600 0.073 0.000 0.975 146 S CA 1.298 59.618 58.200 0.199 0.000 0.949 146 S CB -1.320 62.041 63.200 0.269 0.000 0.761 146 S HN 0.440 nan 8.310 nan 0.000 0.536 147 F N 1.251 121.224 119.950 0.039 0.000 2.374 147 F HA 0.427 4.641 4.527 -0.522 0.000 0.291 147 F C 2.190 177.994 175.800 0.007 0.000 1.084 147 F CA 0.257 58.274 58.000 0.029 0.000 1.413 147 F CB -0.985 38.035 39.000 0.034 0.000 1.099 147 F HN 0.352 nan 8.300 nan 0.000 0.534 148 I N -0.103 120.471 120.570 0.006 0.000 2.264 148 I HA -0.264 3.593 4.170 -0.522 0.000 0.248 148 I C 2.733 178.839 176.117 -0.018 0.000 1.111 148 I CA 1.626 62.913 61.300 -0.021 0.000 1.382 148 I CB -0.796 37.206 38.000 0.003 0.000 1.060 148 I HN 0.381 nan 8.210 nan 0.000 0.418 149 S N 0.800 116.520 115.700 0.033 0.000 2.402 149 S HA -0.168 3.989 4.470 -0.522 0.000 0.233 149 S C 1.887 176.519 174.600 0.054 0.000 1.030 149 S CA 1.530 59.772 58.200 0.069 0.000 1.003 149 S CB -0.165 63.033 63.200 -0.003 0.000 0.813 149 S HN 0.260 nan 8.310 nan 0.000 0.477 150 L N 0.464 121.688 121.223 0.002 0.000 2.270 150 L HA 0.198 4.225 4.340 -0.522 0.000 0.210 150 L C 1.993 178.814 176.870 -0.083 0.000 1.104 150 L CA 0.583 55.419 54.840 -0.007 0.000 0.804 150 L CB -0.566 41.515 42.059 0.037 0.000 0.937 150 L HN 0.301 nan 8.230 nan 0.000 0.450 151 L N -0.122 121.012 121.223 -0.148 0.000 2.005 151 L HA -0.104 3.923 4.340 -0.522 0.000 0.207 151 L C 2.576 179.190 176.870 -0.426 0.000 1.072 151 L CA 2.028 56.702 54.840 -0.278 0.000 0.744 151 L CB -0.928 40.956 42.059 -0.292 0.000 0.895 151 L HN 0.181 nan 8.230 nan 0.000 0.433 152 A N -0.383 122.142 122.820 -0.492 0.000 1.865 152 A HA -0.124 3.883 4.320 -0.522 0.000 0.217 152 A C 2.373 179.539 177.584 -0.697 0.000 1.191 152 A CA 1.935 53.563 52.037 -0.682 0.000 0.623 152 A CB -1.769 16.694 19.000 -0.894 0.000 0.826 152 A HN 0.565 nan 8.150 nan 0.000 0.444 153 G N -0.481 107.831 108.800 -0.813 0.000 2.853 153 G HA2 -0.437 3.210 3.960 -0.522 0.000 0.234 153 G HA3 -0.437 3.210 3.960 -0.522 0.000 0.234 153 G C 1.340 176.202 174.900 -0.064 0.000 1.198 153 G CA 2.049 46.935 45.100 -0.357 0.000 0.767 153 G HN 0.899 nan 8.290 nan 0.000 0.657 154 W N 1.219 122.423 121.300 -0.160 0.000 2.352 154 W HA 0.050 4.397 4.660 -0.521 0.000 0.322 154 W C 2.270 178.753 176.519 -0.059 0.000 1.208 154 W CA 1.500 58.807 57.345 -0.063 0.000 1.286 154 W CB -1.298 28.142 29.460 -0.034 0.000 1.167 154 W HN 0.207 nan 8.180 nan 0.000 0.469 155 L N 0.906 121.958 121.223 -0.285 0.000 2.030 155 L HA -0.309 3.718 4.340 -0.522 0.000 0.222 155 L C 2.762 179.469 176.870 -0.272 0.000 1.082 155 L CA 2.582 57.087 54.840 -0.558 0.000 0.785 155 L CB -1.421 39.996 42.059 -1.070 0.000 0.895 155 L HN 0.168 nan 8.230 nan 0.000 0.439 156 H N -1.698 117.261 119.070 -0.185 0.000 2.547 156 H HA 0.038 4.280 4.556 -0.522 0.000 0.266 156 H C 1.872 177.324 175.328 0.207 0.000 0.988 156 H CA 0.621 56.676 56.048 0.012 0.000 1.147 156 H CB 0.297 30.054 29.762 -0.009 0.000 1.365 156 H HN 0.266 nan 8.280 nan 0.000 0.589 157 L N 0.520 121.942 121.223 0.331 0.000 2.156 157 L HA -0.041 3.985 4.340 -0.522 0.000 0.208 157 L C 0.560 177.621 176.870 0.318 0.000 1.095 157 L CA 1.240 56.266 54.840 0.310 0.000 0.770 157 L CB 0.117 42.346 42.059 0.283 0.000 0.914 157 L HN 0.099 nan 8.230 nan 0.000 0.439 158 Q N 0.790 120.857 119.800 0.444 0.000 2.293 158 Q HA 0.273 4.300 4.340 -0.522 0.000 0.261 158 Q C -1.926 174.206 176.000 0.220 0.000 0.960 158 Q CA -2.052 53.955 55.803 0.339 0.000 0.882 158 Q CB 1.237 30.263 28.738 0.481 0.000 1.275 158 Q HN 0.084 nan 8.270 nan 0.000 0.445 159 P HA -0.313 nan 4.420 nan 0.000 0.214 159 P C 0.776 178.032 177.300 -0.072 0.000 1.163 159 P CA 1.595 64.713 63.100 0.030 0.000 0.883 159 P CB 0.200 31.901 31.700 0.001 0.000 0.788 160 K N 0.125 120.385 120.400 -0.233 0.000 2.152 160 K HA -0.233 3.774 4.320 -0.522 0.000 0.206 160 K C 0.281 176.747 176.600 -0.224 0.000 0.754 160 K CA 2.143 58.197 56.287 -0.389 0.000 1.053 160 K CB -2.608 29.416 32.500 -0.793 0.000 0.869 160 K HN 0.243 nan 8.250 nan 0.000 0.660 161 W N 2.245 123.536 121.300 -0.015 0.000 2.332 161 W HA 0.534 4.881 4.660 -0.521 0.000 0.306 161 W C -0.870 175.644 176.519 -0.009 0.000 1.149 161 W CA -1.625 55.693 57.345 -0.045 0.000 1.271 161 W CB 0.238 29.630 29.460 -0.115 0.000 1.243 161 W HN -0.031 nan 8.180 nan 0.000 0.459 162 K N 5.257 125.771 120.400 0.189 0.000 2.484 162 K HA -0.011 3.996 4.320 -0.522 0.000 0.280 162 K C -1.349 175.359 176.600 0.180 0.000 1.013 162 K CA -0.679 55.670 56.287 0.104 0.000 1.029 162 K CB 0.400 32.885 32.500 -0.027 0.000 0.902 162 K HN 0.232 nan 8.250 nan 0.000 0.481 163 P HA -0.076 nan 4.420 nan 0.000 0.219 163 P C -1.059 176.286 177.300 0.075 0.000 1.150 163 P CA 0.334 63.575 63.100 0.235 0.000 0.814 163 P CB 0.323 32.203 31.700 0.299 0.000 0.787 164 S N -2.653 113.082 115.700 0.059 0.000 2.818 164 S HA -0.085 4.072 4.470 -0.522 0.000 0.848 164 S C 0.370 175.103 174.600 0.222 0.000 0.793 164 S CA 0.116 58.295 58.200 -0.035 0.000 1.537 164 S CB -1.645 61.255 63.200 -0.501 0.000 1.099 164 S HN 0.144 nan 8.310 nan 0.000 0.425 165 V N 2.449 122.487 119.914 0.206 0.000 2.426 165 V HA 0.015 3.822 4.120 -0.522 0.000 0.242 165 V C 2.192 178.414 176.094 0.213 0.000 1.036 165 V CA 2.497 64.953 62.300 0.260 0.000 1.044 165 V CB 0.324 32.235 31.823 0.146 0.000 0.688 165 V HN 1.052 nan 8.190 nan 0.000 0.462 166 S N -0.834 114.951 115.700 0.142 0.000 2.383 166 S HA -0.286 3.871 4.470 -0.522 0.000 0.229 166 S C 1.605 176.242 174.600 0.062 0.000 1.030 166 S CA 2.126 60.371 58.200 0.074 0.000 1.002 166 S CB -0.773 62.467 63.200 0.067 0.000 0.829 166 S HN 0.879 nan 8.310 nan 0.000 0.467 167 W N 1.018 122.232 121.300 -0.143 0.000 2.364 167 W HA -0.087 4.259 4.660 -0.523 0.000 0.281 167 W C 1.194 177.516 176.519 -0.329 0.000 1.219 167 W CA 1.020 58.218 57.345 -0.245 0.000 1.220 167 W CB -0.583 28.671 29.460 -0.342 0.000 1.127 167 W HN 0.328 nan 8.180 nan 0.000 0.556 168 F N 0.863 120.622 119.950 -0.319 0.000 2.407 168 F HA -0.034 4.180 4.527 -0.522 0.000 0.299 168 F C 2.088 177.549 175.800 -0.566 0.000 1.097 168 F CA 1.591 59.239 58.000 -0.585 0.000 1.422 168 F CB -0.414 38.150 39.000 -0.727 0.000 1.067 168 F HN -0.171 nan 8.300 nan 0.000 0.539 169 K N -0.619 119.604 120.400 -0.295 0.000 2.361 169 K HA -0.021 3.985 4.320 -0.522 0.000 0.196 169 K C 1.512 177.976 176.600 -0.227 0.000 1.039 169 K CA 0.055 56.197 56.287 -0.241 0.000 1.001 169 K CB -0.088 32.300 32.500 -0.188 0.000 0.795 169 K HN 0.020 nan 8.250 nan 0.000 0.495 170 N N 1.601 120.150 118.700 -0.252 0.000 2.036 170 N HA -0.258 4.169 4.740 -0.522 0.000 0.192 170 N C 0.401 175.827 175.510 -0.141 0.000 1.055 170 N CA 1.883 54.824 53.050 -0.182 0.000 0.897 170 N CB -0.496 37.844 38.487 -0.245 0.000 1.071 170 N HN 0.274 nan 8.380 nan 0.000 0.553 171 A N -1.720 120.973 122.820 -0.211 0.000 6.702 171 A HA -0.207 3.799 4.320 -0.522 0.000 0.279 171 A C 0.709 178.210 177.584 -0.139 0.000 2.141 171 A CA 1.539 53.468 52.037 -0.179 0.000 0.658 171 A CB -1.579 17.348 19.000 -0.121 0.000 1.332 171 A HN 0.673 nan 8.150 nan 0.000 0.388 172 E N -2.111 117.974 120.200 -0.192 0.000 3.182 172 E HA -0.301 3.736 4.350 -0.522 0.000 0.399 172 E C 1.608 178.211 176.600 0.006 0.000 1.476 172 E CA 3.212 59.563 56.400 -0.082 0.000 1.220 172 E CB -1.855 27.818 29.700 -0.045 0.000 1.538 172 E HN 2.133 nan 8.360 nan 0.000 0.480 173 S N 0.658 116.349 115.700 -0.015 0.000 2.427 173 S HA -0.332 3.825 4.470 -0.522 0.000 0.261 173 S C 0.985 175.599 174.600 0.024 0.000 1.091 173 S CA 2.258 60.461 58.200 0.004 0.000 1.251 173 S CB -0.242 62.952 63.200 -0.010 0.000 1.160 173 S HN 0.360 nan 8.310 nan 0.000 0.436 174 R N 0.358 120.794 120.500 -0.107 0.000 2.490 174 R HA 0.362 4.389 4.340 -0.522 0.000 0.280 174 R C 0.897 177.075 176.300 -0.204 0.000 1.077 174 R CA 0.504 56.480 56.100 -0.207 0.000 1.065 174 R CB 0.566 30.592 30.300 -0.457 0.000 1.003 174 R HN 0.482 nan 8.270 nan 0.000 0.470 175 L N 3.117 124.229 121.223 -0.185 0.000 4.549 175 L HA -0.340 3.687 4.340 -0.522 0.000 0.390 175 L C 0.126 177.089 176.870 0.156 0.000 0.767 175 L CA 2.415 57.250 54.840 -0.008 0.000 2.397 175 L CB -1.480 40.520 42.059 -0.098 0.000 1.175 175 L HN 0.880 nan 8.230 nan 0.000 0.633 176 N N -1.556 117.238 118.700 0.157 0.000 2.415 176 N HA -0.028 4.398 4.740 -0.522 0.000 0.176 176 N C 1.586 177.119 175.510 0.037 0.000 1.042 176 N CA 1.310 54.450 53.050 0.149 0.000 0.902 176 N CB -0.018 38.553 38.487 0.141 0.000 0.986 176 N HN 0.720 nan 8.380 nan 0.000 0.447 177 H N -0.684 118.424 119.070 0.063 0.000 2.316 177 H HA 0.070 4.313 4.556 -0.523 0.000 0.314 177 H C 1.204 176.642 175.328 0.183 0.000 1.057 177 H CA 1.195 57.305 56.048 0.104 0.000 1.402 177 H CB -0.277 29.557 29.762 0.119 0.000 1.443 177 H HN 0.213 nan 8.280 nan 0.000 0.559 178 H N 1.455 120.638 119.070 0.188 0.000 2.394 178 H HA -0.204 4.039 4.556 -0.521 0.000 0.289 178 H C 1.857 177.277 175.328 0.154 0.000 1.082 178 H CA 2.022 58.138 56.048 0.113 0.000 1.140 178 H CB -1.021 28.784 29.762 0.072 0.000 1.390 178 H HN 0.250 nan 8.280 nan 0.000 0.579 179 L N 0.238 121.625 121.223 0.273 0.000 3.097 179 L HA 0.123 4.150 4.340 -0.522 0.000 0.268 179 L C 1.127 178.006 176.870 0.014 0.000 1.180 179 L CA 1.075 55.943 54.840 0.046 0.000 0.996 179 L CB -0.844 41.034 42.059 -0.301 0.000 1.306 179 L HN 0.365 nan 8.230 nan 0.000 0.413 180 S N -2.747 113.040 115.700 0.146 0.000 5.058 180 S HA 0.351 4.508 4.470 -0.522 0.000 0.145 180 S C 1.720 176.430 174.600 0.182 0.000 1.005 180 S CA 0.201 58.491 58.200 0.150 0.000 1.316 180 S CB -0.827 62.412 63.200 0.065 0.000 2.001 180 S HN 0.247 nan 8.310 nan 0.000 0.729 181 G N 3.207 112.117 108.800 0.184 0.000 2.681 181 G HA2 -0.232 3.415 3.960 -0.522 0.000 0.220 181 G HA3 -0.232 3.415 3.960 -0.522 0.000 0.220 181 G C 1.209 176.190 174.900 0.135 0.000 1.210 181 G CA 1.770 46.995 45.100 0.209 0.000 0.783 181 G HN 0.539 nan 8.290 nan 0.000 0.609 182 L N -0.493 120.771 121.223 0.068 0.000 1.851 182 L HA 0.253 4.280 4.340 -0.522 0.000 0.228 182 L C 2.536 179.437 176.870 0.052 0.000 1.095 182 L CA 1.278 56.071 54.840 -0.079 0.000 1.147 182 L CB -1.217 40.614 42.059 -0.381 0.000 1.019 182 L HN 0.216 nan 8.230 nan 0.000 0.580 183 F N 0.663 120.671 119.950 0.097 0.000 2.064 183 F HA -0.333 3.880 4.527 -0.523 0.000 0.292 183 F C 2.378 178.337 175.800 0.266 0.000 1.107 183 F CA 2.282 60.423 58.000 0.235 0.000 1.243 183 F CB -1.727 37.528 39.000 0.425 0.000 0.949 183 F HN 0.415 nan 8.300 nan 0.000 0.506 184 G N -0.364 108.748 108.800 0.519 0.000 2.587 184 G HA2 -0.236 3.411 3.960 -0.522 0.000 0.217 184 G HA3 -0.236 3.411 3.960 -0.522 0.000 0.217 184 G C 1.713 176.749 174.900 0.228 0.000 1.240 184 G CA 1.462 46.776 45.100 0.356 0.000 0.794 184 G HN 0.306 nan 8.290 nan 0.000 0.580 185 V N 0.695 120.726 119.914 0.194 0.000 2.913 185 V HA -0.105 3.701 4.120 -0.522 0.000 0.260 185 V C 2.929 179.114 176.094 0.152 0.000 1.098 185 V CA 1.939 64.331 62.300 0.154 0.000 1.121 185 V CB 0.142 32.046 31.823 0.135 0.000 0.714 185 V HN 0.446 nan 8.190 nan 0.000 0.487 186 S N -1.075 114.722 115.700 0.162 0.000 2.377 186 S HA -0.075 4.082 4.470 -0.522 0.000 0.223 186 S C 1.816 176.529 174.600 0.188 0.000 1.030 186 S CA 1.220 59.502 58.200 0.136 0.000 0.970 186 S CB -0.015 63.232 63.200 0.078 0.000 0.830 186 S HN 0.598 nan 8.310 nan 0.000 0.473 187 S N 1.382 117.226 115.700 0.240 0.000 2.280 187 S HA 0.095 4.252 4.470 -0.522 0.000 0.204 187 S C 1.287 176.009 174.600 0.204 0.000 1.402 187 S CA 0.560 58.927 58.200 0.278 0.000 1.162 187 S CB -0.616 62.729 63.200 0.241 0.000 0.673 187 S HN 0.624 nan 8.310 nan 0.000 0.428 188 L N 1.198 122.494 121.223 0.123 0.000 3.600 188 L HA -0.430 3.597 4.340 -0.522 0.000 0.056 188 L C 1.798 178.737 176.870 0.116 0.000 4.125 188 L CA 3.391 58.277 54.840 0.076 0.000 0.980 188 L CB -1.932 40.176 42.059 0.082 0.000 3.352 188 L HN 0.718 nan 8.230 nan 0.000 0.677 189 A N -1.059 121.846 122.820 0.143 0.000 1.984 189 A HA -0.365 3.642 4.320 -0.522 0.000 0.224 189 A C 2.097 179.816 177.584 0.224 0.000 1.256 189 A CA 3.236 55.372 52.037 0.166 0.000 0.679 189 A CB -1.649 17.452 19.000 0.169 0.000 0.829 189 A HN 0.881 nan 8.150 nan 0.000 0.483 190 W N -0.024 121.282 121.300 0.010 0.000 2.378 190 W HA -0.115 4.240 4.660 -0.508 0.000 0.313 190 W C 2.574 179.077 176.519 -0.027 0.000 1.197 190 W CA 1.649 58.971 57.345 -0.038 0.000 1.304 190 W CB -0.347 29.002 29.460 -0.184 0.000 1.148 190 W HN 0.475 nan 8.180 nan 0.000 0.494 191 A N 1.305 124.118 122.820 -0.011 0.000 1.971 191 A HA -0.236 3.770 4.320 -0.522 0.000 0.222 191 A C 2.129 179.621 177.584 -0.154 0.000 1.182 191 A CA 2.603 54.579 52.037 -0.102 0.000 0.649 191 A CB -1.675 17.302 19.000 -0.038 0.000 0.818 191 A HN 0.443 nan 8.150 nan 0.000 0.458 192 G N -1.388 107.372 108.800 -0.066 0.000 2.511 192 G HA2 -0.338 3.308 3.960 -0.522 0.000 0.216 192 G HA3 -0.338 3.308 3.960 -0.522 0.000 0.216 192 G C 1.638 176.478 174.900 -0.101 0.000 1.218 192 G CA 1.296 46.366 45.100 -0.049 0.000 0.788 192 G HN 0.763 nan 8.290 nan 0.000 0.560 193 H N 0.603 119.552 119.070 -0.202 0.000 2.293 193 H HA 0.059 4.307 4.556 -0.514 0.000 0.300 193 H C 2.767 177.875 175.328 -0.367 0.000 1.082 193 H CA 1.415 57.318 56.048 -0.241 0.000 1.308 193 H CB -0.347 29.260 29.762 -0.259 0.000 1.375 193 H HN 0.248 nan 8.280 nan 0.000 0.495 194 L N 0.220 121.057 121.223 -0.644 0.000 2.064 194 L HA -0.222 3.805 4.340 -0.522 0.000 0.216 194 L C 2.915 179.555 176.870 -0.383 0.000 1.077 194 L CA 1.423 55.918 54.840 -0.575 0.000 0.766 194 L CB -0.328 41.412 42.059 -0.531 0.000 0.890 194 L HN 0.174 nan 8.230 nan 0.000 0.435 195 V N -1.508 118.208 119.914 -0.329 0.000 2.379 195 V HA -0.217 3.590 4.120 -0.522 0.000 0.243 195 V C 2.423 178.369 176.094 -0.246 0.000 1.035 195 V CA 1.376 63.518 62.300 -0.264 0.000 1.035 195 V CB -0.367 31.296 31.823 -0.268 0.000 0.673 195 V HN 0.436 nan 8.190 nan 0.000 0.457 196 H N -0.849 118.102 119.070 -0.198 0.000 2.395 196 H HA 0.183 4.418 4.556 -0.536 0.000 0.299 196 H C 0.370 175.574 175.328 -0.207 0.000 1.070 196 H CA 1.246 57.173 56.048 -0.201 0.000 1.356 196 H CB 0.349 29.952 29.762 -0.266 0.000 1.401 196 H HN 0.250 nan 8.280 nan 0.000 0.524 197 V N 0.256 120.072 119.914 -0.165 0.000 2.538 197 V HA 0.522 4.328 4.120 -0.522 0.000 0.265 197 V C -0.062 175.800 176.094 -0.388 0.000 0.977 197 V CA 0.441 62.618 62.300 -0.205 0.000 0.852 197 V CB 0.819 32.566 31.823 -0.127 0.000 1.058 197 V HN 0.555 nan 8.190 nan 0.000 0.462 198 A N 3.798 126.492 122.820 -0.211 0.000 3.569 198 A HA -0.046 3.961 4.320 -0.522 0.000 0.197 198 A C 1.172 178.695 177.584 -0.100 0.000 1.297 198 A CA 0.505 52.443 52.037 -0.165 0.000 1.174 198 A CB -0.932 17.899 19.000 -0.281 0.000 0.814 198 A HN 0.440 nan 8.150 nan 0.000 0.392 199 I N 1.680 122.173 120.570 -0.128 0.000 2.142 199 I HA -0.125 3.731 4.170 -0.522 0.000 0.240 199 I C -0.360 175.701 176.117 -0.095 0.000 1.078 199 I CA 1.990 63.229 61.300 -0.101 0.000 1.343 199 I CB -1.648 36.290 38.000 -0.103 0.000 1.046 199 I HN 0.284 nan 8.210 nan 0.000 0.405 200 P HA -0.210 nan 4.420 nan 0.000 0.216 200 P C 1.644 178.915 177.300 -0.048 0.000 1.154 200 P CA 2.404 65.463 63.100 -0.068 0.000 0.865 200 P CB -0.364 31.310 31.700 -0.044 0.000 0.789 201 G N -0.088 108.700 108.800 -0.019 0.000 2.422 201 G HA2 -0.213 3.434 3.960 -0.522 0.000 0.218 201 G HA3 -0.213 3.434 3.960 -0.522 0.000 0.218 201 G C 1.816 176.728 174.900 0.020 0.000 1.140 201 G CA 1.240 46.360 45.100 0.033 0.000 0.775 201 G HN 0.462 nan 8.290 nan 0.000 0.545 202 S N 0.921 116.586 115.700 -0.059 0.000 2.357 202 S HA -0.034 4.123 4.470 -0.522 0.000 0.221 202 S C 2.244 176.638 174.600 -0.342 0.000 1.031 202 S CA 0.822 58.893 58.200 -0.215 0.000 0.982 202 S CB -0.376 62.678 63.200 -0.243 0.000 0.853 202 S HN 0.399 nan 8.310 nan 0.000 0.458 203 R N 1.780 122.180 120.500 -0.167 0.000 2.159 203 R HA 0.078 4.105 4.340 -0.522 0.000 0.237 203 R C 1.418 177.699 176.300 -0.030 0.000 1.131 203 R CA 0.742 56.824 56.100 -0.030 0.000 0.982 203 R CB -0.974 29.279 30.300 -0.077 0.000 0.868 203 R HN 0.544 nan 8.270 nan 0.000 0.453 204 G N 1.333 110.105 108.800 -0.047 0.000 2.491 204 G HA2 0.016 3.663 3.960 -0.522 0.000 0.242 204 G HA3 0.016 3.663 3.960 -0.522 0.000 0.242 204 G C -0.531 174.296 174.900 -0.121 0.000 1.266 204 G CA -0.451 44.605 45.100 -0.073 0.000 0.844 204 G HN 0.179 nan 8.290 nan 0.000 0.571 205 E N -0.133 119.925 120.200 -0.236 0.000 2.349 205 E HA 0.222 4.259 4.350 -0.522 0.000 0.262 205 E C -0.470 175.915 176.600 -0.358 0.000 1.088 205 E CA -0.247 55.841 56.400 -0.520 0.000 0.899 205 E CB 0.747 30.109 29.700 -0.563 0.000 1.044 205 E HN 0.558 nan 8.360 nan 0.000 0.420 206 Y N -0.641 119.699 120.300 0.067 0.000 2.426 206 Y HA 0.020 4.264 4.550 -0.510 0.000 0.344 206 Y C 1.224 177.168 175.900 0.073 0.000 1.256 206 Y CA -0.612 57.537 58.100 0.082 0.000 1.451 206 Y CB -0.108 38.413 38.460 0.102 0.000 1.342 206 Y HN 0.186 nan 8.280 nan 0.000 0.600 207 V N 0.882 120.948 119.914 0.254 0.000 3.235 207 V HA -0.046 3.761 4.120 -0.522 0.000 0.259 207 V C 0.383 176.593 176.094 0.193 0.000 1.133 207 V CA 0.369 62.778 62.300 0.181 0.000 1.128 207 V CB -0.815 31.093 31.823 0.141 0.000 0.757 207 V HN 0.734 nan 8.190 nan 0.000 0.469 208 R N -0.978 119.657 120.500 0.225 0.000 3.164 208 R HA -0.261 3.766 4.340 -0.522 0.000 0.124 208 R C 0.590 177.023 176.300 0.221 0.000 1.277 208 R CA 0.862 57.091 56.100 0.215 0.000 0.987 208 R CB -1.210 29.194 30.300 0.174 0.000 2.472 208 R HN 0.616 nan 8.270 nan 0.000 0.178 209 W N 4.908 126.240 121.300 0.054 0.000 2.374 209 W HA -0.096 4.249 4.660 -0.524 0.000 0.288 209 W C 1.279 177.799 176.519 0.002 0.000 1.218 209 W CA 1.559 58.919 57.345 0.026 0.000 1.245 209 W CB -0.163 29.303 29.460 0.011 0.000 1.126 209 W HN 0.632 nan 8.180 nan 0.000 0.545 210 N N 1.133 119.754 118.700 -0.131 0.000 2.106 210 N HA -0.147 4.280 4.740 -0.522 0.000 0.188 210 N C -0.114 175.265 175.510 -0.219 0.000 1.029 210 N CA 1.547 54.377 53.050 -0.367 0.000 0.848 210 N CB -1.227 37.140 38.487 -0.200 0.000 1.007 210 N HN 0.286 nan 8.380 nan 0.000 0.423 211 N N 0.487 119.160 118.700 -0.046 0.000 2.469 211 N HA 0.122 4.549 4.740 -0.522 0.000 0.253 211 N C -0.001 175.600 175.510 0.152 0.000 0.970 211 N CA -0.597 52.464 53.050 0.019 0.000 0.940 211 N CB 0.661 39.162 38.487 0.023 0.000 1.128 211 N HN -0.163 nan 8.380 nan 0.000 0.503 212 F N 1.430 121.326 119.950 -0.091 0.000 2.128 212 F HA -0.028 4.192 4.527 -0.511 0.000 0.295 212 F C 1.810 177.546 175.800 -0.107 0.000 1.100 212 F CA 0.697 58.638 58.000 -0.099 0.000 1.260 212 F CB -0.326 38.608 39.000 -0.110 0.000 1.009 212 F HN 0.505 nan 8.300 nan 0.000 0.476 213 L N -1.491 119.785 121.223 0.089 0.000 2.072 213 L HA -0.024 4.002 4.340 -0.522 0.000 0.205 213 L C 1.902 178.767 176.870 -0.009 0.000 1.079 213 L CA 1.940 56.781 54.840 0.002 0.000 0.752 213 L CB -1.805 40.260 42.059 0.010 0.000 0.906 213 L HN -0.034 nan 8.230 nan 0.000 0.436 214 D N 1.008 121.413 120.400 0.008 0.000 2.117 214 D HA -0.112 4.215 4.640 -0.522 0.000 0.198 214 D C 0.810 177.116 176.300 0.010 0.000 0.982 214 D CA 1.160 55.165 54.000 0.008 0.000 0.828 214 D CB -0.182 40.625 40.800 0.011 0.000 0.967 214 D HN 0.279 nan 8.370 nan 0.000 0.464 215 V N 0.303 120.226 119.914 0.015 0.000 2.529 215 V HA 0.359 4.165 4.120 -0.522 0.000 0.292 215 V C -0.033 176.056 176.094 -0.009 0.000 1.028 215 V CA -0.671 61.636 62.300 0.011 0.000 1.074 215 V CB 0.558 32.397 31.823 0.026 0.000 0.958 215 V HN 0.122 nan 8.190 nan 0.000 0.481 216 L N 6.099 127.330 121.223 0.013 0.000 2.388 216 L HA 0.734 4.760 4.340 -0.522 0.000 0.264 216 L C -1.664 175.241 176.870 0.058 0.000 0.998 216 L CA -1.478 53.386 54.840 0.041 0.000 0.817 216 L CB 1.913 44.002 42.059 0.050 0.000 1.338 216 L HN 0.378 nan 8.230 nan 0.000 0.414 217 P HA -0.056 nan 4.420 nan 0.000 0.218 217 P C -0.931 176.373 177.300 0.006 0.000 1.148 217 P CA 1.508 64.655 63.100 0.078 0.000 0.822 217 P CB 0.035 31.848 31.700 0.190 0.000 0.784 218 Y N -2.398 117.866 120.300 -0.060 0.000 2.602 218 Y HA 0.272 4.769 4.550 -0.088 0.000 0.342 218 Y C -1.444 174.424 175.900 -0.054 0.000 1.029 218 Y CA -2.100 55.957 58.100 -0.071 0.000 1.080 218 Y CB 1.144 39.553 38.460 -0.086 0.000 1.284 218 Y HN -0.250 nan 8.280 nan 0.000 0.485 219 P HA -0.120 nan 4.420 nan 0.000 0.213 219 P C 0.777 178.113 177.300 0.059 0.000 1.169 219 P CA 1.496 64.635 63.100 0.065 0.000 0.885 219 P CB 0.328 32.047 31.700 0.031 0.000 0.779 220 Q N -0.298 119.540 119.800 0.063 0.000 2.415 220 Q HA 0.283 4.310 4.340 -0.522 0.000 0.206 220 Q C 0.534 176.512 176.000 -0.035 0.000 0.946 220 Q CA 0.290 56.099 55.803 0.010 0.000 0.951 220 Q CB -0.434 28.302 28.738 -0.004 0.000 1.026 220 Q HN 0.287 nan 8.270 nan 0.000 0.510 221 G N 0.202 108.983 108.800 -0.032 0.000 2.681 221 G HA2 -0.321 3.326 3.960 -0.522 0.000 0.220 221 G HA3 -0.321 3.326 3.960 -0.522 0.000 0.220 221 G C 0.266 175.035 174.900 -0.218 0.000 1.353 221 G CA -0.176 44.877 45.100 -0.077 0.000 0.872 221 G HN 0.395 nan 8.290 nan 0.000 0.557 222 L N -0.681 120.450 121.223 -0.153 0.000 2.043 222 L HA 0.418 4.445 4.340 -0.522 0.000 0.212 222 L C 1.884 178.595 176.870 -0.265 0.000 1.075 222 L CA 2.435 57.161 54.840 -0.189 0.000 0.752 222 L CB -1.247 40.777 42.059 -0.057 0.000 0.891 222 L HN 2.897 nan 8.230 nan 0.000 0.432 223 G N -1.524 107.172 108.800 -0.175 0.000 2.829 223 G HA2 -0.183 3.463 3.960 -0.522 0.000 0.628 223 G HA3 -0.183 3.463 3.960 -0.522 0.000 0.628 223 G C -1.603 173.238 174.900 -0.099 0.000 1.412 223 G CA -0.270 44.730 45.100 -0.167 0.000 0.864 223 G HN 0.301 nan 8.290 nan 0.000 0.544 224 P HA -0.127 nan 4.420 nan 0.000 0.213 224 P C 2.050 179.353 177.300 0.005 0.000 1.170 224 P CA 2.454 65.531 63.100 -0.039 0.000 0.902 224 P CB 0.036 31.706 31.700 -0.050 0.000 0.789 225 L N -2.734 118.525 121.223 0.059 0.000 3.447 225 L HA -0.294 3.733 4.340 -0.522 0.000 0.337 225 L C 1.766 178.834 176.870 0.331 0.000 4.145 225 L CA 2.329 57.325 54.840 0.260 0.000 1.229 225 L CB -1.959 40.215 42.059 0.193 0.000 3.307 225 L HN -0.012 nan 8.230 nan 0.000 0.751 226 L N -0.033 121.299 121.223 0.181 0.000 2.056 226 L HA -0.034 3.993 4.340 -0.522 0.000 0.207 226 L C 0.663 177.547 176.870 0.023 0.000 1.078 226 L CA 1.531 56.454 54.840 0.138 0.000 0.749 226 L CB -0.178 41.929 42.059 0.080 0.000 0.901 226 L HN 0.582 nan 8.230 nan 0.000 0.433 227 T N 0.459 114.996 114.554 -0.029 0.000 2.928 227 T HA 0.248 4.285 4.350 -0.522 0.000 0.305 227 T C 0.276 174.833 174.700 -0.238 0.000 1.035 227 T CA 0.111 62.144 62.100 -0.111 0.000 1.145 227 T CB 0.769 69.589 68.868 -0.079 0.000 0.963 227 T HN 0.410 nan 8.240 nan 0.000 0.545 228 G N 1.958 110.499 108.800 -0.431 0.000 2.320 228 G HA2 0.327 3.974 3.960 -0.522 0.000 0.300 228 G HA3 0.327 3.974 3.960 -0.522 0.000 0.300 228 G C 0.611 175.231 174.900 -0.467 0.000 1.126 228 G CA -0.587 43.981 45.100 -0.887 0.000 0.896 228 G HN 0.524 nan 8.290 nan 0.000 0.436 229 Q N 2.049 121.667 119.800 -0.304 0.000 2.398 229 Q HA 0.008 4.034 4.340 -0.522 0.000 0.204 229 Q C 2.088 178.043 176.000 -0.075 0.000 0.932 229 Q CA 0.105 55.824 55.803 -0.139 0.000 0.916 229 Q CB 0.048 28.783 28.738 -0.005 0.000 1.024 229 Q HN 0.868 nan 8.270 nan 0.000 0.504 230 W N 1.982 123.300 121.300 0.030 0.000 2.262 230 W HA -0.365 3.977 4.660 -0.530 0.000 0.331 230 W C 1.558 178.141 176.519 0.107 0.000 1.315 230 W CA 1.447 58.829 57.345 0.062 0.000 1.302 230 W CB -1.398 28.015 29.460 -0.079 0.000 1.128 230 W HN 0.411 nan 8.180 nan 0.000 0.482 231 N N -0.385 118.478 118.700 0.271 0.000 1.293 231 N HA -0.315 4.112 4.740 -0.522 0.000 0.131 231 N C 0.653 176.314 175.510 0.253 0.000 0.217 231 N CA 2.414 55.570 53.050 0.177 0.000 1.156 231 N CB -1.322 37.235 38.487 0.118 0.000 1.264 231 N HN -0.007 nan 8.380 nan 0.000 0.796 232 L N 1.604 122.968 121.223 0.236 0.000 2.511 232 L HA 0.120 4.147 4.340 -0.522 0.000 0.239 232 L C 0.081 177.111 176.870 0.268 0.000 1.400 232 L CA 0.473 55.427 54.840 0.191 0.000 1.226 232 L CB -0.841 41.280 42.059 0.102 0.000 1.475 232 L HN 0.304 nan 8.230 nan 0.000 0.428 233 Y N 1.168 121.507 120.300 0.065 0.000 2.153 233 Y HA -0.020 4.240 4.550 -0.484 0.000 0.289 233 Y C 1.916 177.814 175.900 -0.002 0.000 1.127 233 Y CA 0.406 58.536 58.100 0.051 0.000 1.131 233 Y CB -0.134 38.334 38.460 0.014 0.000 0.995 233 Y HN 0.532 nan 8.280 nan 0.000 0.505 234 A N 1.313 124.236 122.820 0.173 0.000 3.048 234 A HA 0.120 4.127 4.320 -0.522 0.000 0.264 234 A C -0.169 177.436 177.584 0.036 0.000 1.796 234 A CA 0.042 52.115 52.037 0.059 0.000 1.445 234 A CB -0.822 18.196 19.000 0.029 0.000 1.074 234 A HN 0.364 nan 8.150 nan 0.000 0.621 235 Q N 0.802 120.614 119.800 0.020 0.000 2.340 235 Q HA 0.215 4.241 4.340 -0.522 0.000 0.268 235 Q C -0.558 175.417 176.000 -0.041 0.000 1.031 235 Q CA -0.883 54.916 55.803 -0.007 0.000 0.804 235 Q CB 1.391 30.130 28.738 0.002 0.000 1.286 235 Q HN 0.615 nan 8.270 nan 0.000 0.448 236 N N 2.252 120.920 118.700 -0.052 0.000 2.688 236 N HA -0.162 4.264 4.740 -0.522 0.000 0.258 236 N C -2.240 173.204 175.510 -0.109 0.000 1.016 236 N CA 0.225 53.229 53.050 -0.075 0.000 0.747 236 N CB -0.422 38.025 38.487 -0.066 0.000 0.895 236 N HN 0.444 nan 8.380 nan 0.000 0.543 237 P HA -0.025 nan 4.420 nan 0.000 0.215 237 P C 0.485 177.646 177.300 -0.231 0.000 1.157 237 P CA 1.033 64.026 63.100 -0.179 0.000 0.856 237 P CB 0.206 31.784 31.700 -0.204 0.000 0.786 238 S N -2.231 113.318 115.700 -0.253 0.000 2.671 238 S HA 0.669 4.825 4.470 -0.522 0.000 0.299 238 S C -0.545 173.976 174.600 -0.131 0.000 1.116 238 S CA -0.621 57.429 58.200 -0.250 0.000 0.912 238 S CB 1.568 64.498 63.200 -0.450 0.000 1.130 238 S HN -0.161 nan 8.310 nan 0.000 0.501 239 S N 1.280 116.944 115.700 -0.061 0.000 2.659 239 S HA 0.393 4.550 4.470 -0.522 0.000 0.312 239 S C 0.858 175.501 174.600 0.072 0.000 1.114 239 S CA -0.829 57.360 58.200 -0.018 0.000 1.063 239 S CB 1.532 64.703 63.200 -0.048 0.000 0.996 239 S HN 0.694 nan 8.310 nan 0.000 0.478 240 S N 2.635 118.397 115.700 0.103 0.000 2.380 240 S HA -0.183 3.974 4.470 -0.522 0.000 0.229 240 S C 1.319 176.016 174.600 0.163 0.000 1.043 240 S CA 1.280 59.593 58.200 0.189 0.000 1.038 240 S CB -0.414 62.879 63.200 0.156 0.000 0.872 240 S HN 0.897 nan 8.310 nan 0.000 0.456 241 N N 1.416 120.178 118.700 0.103 0.000 2.819 241 N HA -0.075 4.352 4.740 -0.522 0.000 0.284 241 N C 0.604 176.175 175.510 0.100 0.000 1.196 241 N CA 0.076 53.180 53.050 0.090 0.000 1.114 241 N CB -0.141 38.378 38.487 0.053 0.000 1.437 241 N HN 0.439 nan 8.380 nan 0.000 0.518 242 H N 3.415 122.507 119.070 0.036 0.000 2.372 242 H HA 0.050 4.290 4.556 -0.527 0.000 0.301 242 H C 0.687 176.055 175.328 0.066 0.000 1.065 242 H CA 0.839 56.915 56.048 0.046 0.000 1.364 242 H CB 0.282 30.087 29.762 0.072 0.000 1.406 242 H HN 0.576 nan 8.280 nan 0.000 0.521 243 L N 1.219 122.564 121.223 0.203 0.000 3.601 243 L HA -0.234 3.793 4.340 -0.522 0.000 0.469 243 L C -0.051 177.034 176.870 0.358 0.000 1.294 243 L CA 0.071 55.027 54.840 0.193 0.000 0.829 243 L CB -1.927 40.174 42.059 0.069 0.000 1.628 243 L HN 0.240 nan 8.230 nan 0.000 0.868 244 F N 1.145 121.312 119.950 0.360 0.000 2.602 244 F HA 0.306 4.528 4.527 -0.508 0.000 0.385 244 F C 1.499 177.483 175.800 0.306 0.000 1.063 244 F CA 0.934 59.225 58.000 0.486 0.000 1.233 244 F CB 0.693 39.782 39.000 0.148 0.000 1.067 244 F HN 0.411 nan 8.300 nan 0.000 0.564 245 G N 3.404 112.538 108.800 0.557 0.000 2.195 245 G HA2 -0.286 3.360 3.960 -0.522 0.000 0.246 245 G HA3 -0.286 3.360 3.960 -0.522 0.000 0.246 245 G C 0.391 175.397 174.900 0.177 0.000 0.984 245 G CA 0.263 45.580 45.100 0.362 0.000 0.633 245 G HN 1.073 nan 8.290 nan 0.000 0.525 246 T N 0.345 114.977 114.554 0.131 0.000 3.418 246 T HA 0.537 4.574 4.350 -0.522 0.000 0.315 246 T C 0.879 175.515 174.700 -0.107 0.000 1.447 246 T CA 1.329 63.430 62.100 0.002 0.000 1.641 246 T CB -0.275 68.616 68.868 0.037 0.000 0.904 246 T HN 1.195 nan 8.240 nan 0.000 0.640 247 T N 2.542 116.959 114.554 -0.228 0.000 13.928 247 T HA -0.310 3.727 4.350 -0.522 0.000 0.416 247 T C 0.375 174.931 174.700 -0.240 0.000 1.443 247 T CA 2.091 64.039 62.100 -0.254 0.000 2.321 247 T CB -1.053 67.715 68.868 -0.166 0.000 2.747 247 T HN 0.849 nan 8.240 nan 0.000 0.336 248 Q N 0.604 120.313 119.800 -0.153 0.000 2.457 248 Q HA -0.150 3.877 4.340 -0.522 0.000 0.283 248 Q C 0.777 176.709 176.000 -0.114 0.000 1.234 248 Q CA 2.477 58.214 55.803 -0.111 0.000 0.877 248 Q CB -1.706 26.989 28.738 -0.072 0.000 1.250 248 Q HN 1.976 nan 8.270 nan 0.000 0.481 249 G N -3.235 105.484 108.800 -0.135 0.000 2.179 249 G HA2 -0.207 3.440 3.960 -0.522 0.000 0.220 249 G HA3 -0.207 3.440 3.960 -0.522 0.000 0.220 249 G C 0.748 175.501 174.900 -0.245 0.000 0.990 249 G CA 0.727 45.738 45.100 -0.148 0.000 0.646 249 G HN 1.136 nan 8.290 nan 0.000 0.517 250 A N 0.135 122.747 122.820 -0.347 0.000 1.898 250 A HA 0.536 4.542 4.320 -0.522 0.000 0.216 250 A C 2.432 179.866 177.584 -0.249 0.000 1.181 250 A CA 2.383 54.130 52.037 -0.484 0.000 0.620 250 A CB -0.645 18.076 19.000 -0.464 0.000 0.819 250 A HN 2.665 nan 8.150 nan 0.000 0.442 251 G N -2.982 105.697 108.800 -0.201 0.000 2.758 251 G HA2 0.059 3.706 3.960 -0.522 0.000 0.686 251 G HA3 0.059 3.706 3.960 -0.522 0.000 0.686 251 G C -0.276 174.509 174.900 -0.192 0.000 1.389 251 G CA -0.209 44.786 45.100 -0.176 0.000 0.845 251 G HN 0.924 nan 8.290 nan 0.000 0.572 252 T N 0.753 115.177 114.554 -0.217 0.000 3.296 252 T HA 0.687 4.723 4.350 -0.522 0.000 0.333 252 T C 0.148 174.638 174.700 -0.351 0.000 1.280 252 T CA 0.549 62.484 62.100 -0.274 0.000 1.558 252 T CB 0.830 69.513 68.868 -0.309 0.000 0.929 252 T HN 1.919 nan 8.240 nan 0.000 0.596 253 A N 3.462 126.129 122.820 -0.254 0.000 2.310 253 A HA 0.770 4.777 4.320 -0.522 0.000 0.304 253 A C 0.411 177.937 177.584 -0.096 0.000 1.231 253 A CA -0.980 50.933 52.037 -0.207 0.000 0.799 253 A CB 0.248 19.181 19.000 -0.112 0.000 1.162 253 A HN 0.864 nan 8.150 nan 0.000 0.486 254 I N 1.017 121.575 120.570 -0.020 0.000 2.932 254 I HA 0.350 4.207 4.170 -0.522 0.000 0.295 254 I C -0.220 175.966 176.117 0.116 0.000 1.227 254 I CA 0.083 61.419 61.300 0.059 0.000 1.429 254 I CB -0.249 37.837 38.000 0.143 0.000 1.339 254 I HN 0.710 nan 8.210 nan 0.000 0.589 255 L N 1.854 123.080 121.223 0.006 0.000 0.585 255 L HA -0.130 3.897 4.340 -0.522 0.000 0.356 255 L C -0.349 176.498 176.870 -0.038 0.000 1.005 255 L CA 0.233 55.066 54.840 -0.011 0.000 1.223 255 L CB -1.289 40.745 42.059 -0.042 0.000 0.030 255 L HN 1.118 nan 8.230 nan 0.000 0.093 256 T N -0.092 114.454 114.554 -0.013 0.000 2.749 256 T HA 0.639 4.676 4.350 -0.522 0.000 0.310 256 T C -0.036 174.741 174.700 0.129 0.000 1.496 256 T CA -0.482 61.628 62.100 0.016 0.000 1.006 256 T CB 1.206 70.026 68.868 -0.080 0.000 1.457 256 T HN 0.448 nan 8.240 nan 0.000 0.497 257 I N 1.363 122.030 120.570 0.162 0.000 3.427 257 I HA 0.367 4.223 4.170 -0.522 0.000 0.288 257 I C 0.639 177.203 176.117 0.746 0.000 1.249 257 I CA 0.679 62.198 61.300 0.365 0.000 1.421 257 I CB -0.891 37.219 38.000 0.183 0.000 1.086 257 I HN 0.432 nan 8.210 nan 0.000 0.448 258 L N -1.261 120.095 121.223 0.222 0.000 2.303 258 L HA 0.741 4.767 4.340 -0.522 0.000 0.266 258 L C 1.130 177.900 176.870 -0.166 0.000 1.011 258 L CA -0.266 54.561 54.840 -0.022 0.000 0.818 258 L CB 1.397 43.449 42.059 -0.013 0.000 1.326 258 L HN 0.280 nan 8.230 nan 0.000 0.435 259 G N 0.861 109.577 108.800 -0.140 0.000 2.543 259 G HA2 -0.178 3.468 3.960 -0.522 0.000 0.286 259 G HA3 -0.178 3.468 3.960 -0.522 0.000 0.286 259 G C 0.129 174.847 174.900 -0.304 0.000 1.153 259 G CA -0.203 44.849 45.100 -0.080 0.000 0.968 259 G HN 1.124 nan 8.290 nan 0.000 0.544 260 G N -1.013 107.710 108.800 -0.128 0.000 2.416 260 G HA2 0.675 4.322 3.960 -0.522 0.000 0.324 260 G HA3 0.675 4.322 3.960 -0.522 0.000 0.324 260 G C -0.491 173.895 174.900 -0.858 0.000 1.194 260 G CA -0.487 44.441 45.100 -0.287 0.000 0.922 260 G HN 0.557 nan 8.290 nan 0.000 0.467 261 F N 0.916 120.526 119.950 -0.567 0.000 2.518 261 F HA 0.272 4.487 4.527 -0.519 0.000 0.359 261 F C 1.071 176.603 175.800 -0.446 0.000 1.118 261 F CA 0.237 57.917 58.000 -0.534 0.000 1.287 261 F CB 0.677 39.536 39.000 -0.235 0.000 1.132 261 F HN 0.423 nan 8.300 nan 0.000 0.587 262 H N 3.037 122.085 119.070 -0.037 0.000 2.529 262 H HA 0.259 4.502 4.556 -0.520 0.000 0.348 262 H C -1.902 173.406 175.328 -0.034 0.000 1.079 262 H CA -2.146 53.855 56.048 -0.078 0.000 1.198 262 H CB 1.310 30.960 29.762 -0.187 0.000 1.521 262 H HN 0.275 nan 8.280 nan 0.000 0.514 263 P HA -0.153 nan 4.420 nan 0.000 0.220 263 P C -0.126 177.201 177.300 0.046 0.000 1.148 263 P CA 1.107 64.235 63.100 0.046 0.000 0.803 263 P CB 0.453 32.180 31.700 0.045 0.000 0.782 264 Q N 0.793 120.638 119.800 0.075 0.000 2.413 264 Q HA 0.364 4.390 4.340 -0.522 0.000 0.258 264 Q C -0.071 175.925 176.000 -0.006 0.000 1.037 264 Q CA 0.198 56.033 55.803 0.053 0.000 0.764 264 Q CB 1.107 29.898 28.738 0.088 0.000 1.217 264 Q HN 0.256 nan 8.270 nan 0.000 0.490 265 T N -0.131 114.352 114.554 -0.120 0.000 0.541 265 T HA -0.110 3.927 4.350 -0.522 0.000 0.774 265 T C -0.298 174.375 174.700 -0.044 0.000 0.992 265 T CA -0.484 61.503 62.100 -0.187 0.000 4.077 265 T CB -0.322 68.508 68.868 -0.063 0.000 2.303 265 T HN 0.465 nan 8.240 nan 0.000 0.398 266 Q N 1.730 121.502 119.800 -0.048 0.000 2.249 266 Q HA 0.817 4.844 4.340 -0.522 0.000 0.226 266 Q C 1.008 176.990 176.000 -0.031 0.000 0.983 266 Q CA 0.238 56.019 55.803 -0.036 0.000 0.930 266 Q CB 1.294 30.050 28.738 0.030 0.000 1.193 266 Q HN 2.408 nan 8.270 nan 0.000 0.508 267 S N -0.982 114.703 115.700 -0.026 0.000 4.090 267 S HA -0.162 3.995 4.470 -0.522 0.000 0.639 267 S C -1.299 173.291 174.600 -0.017 0.000 1.390 267 S CA -0.283 57.931 58.200 0.024 0.000 1.564 267 S CB -1.054 62.199 63.200 0.088 0.000 0.327 267 S HN 0.625 nan 8.310 nan 0.000 1.783 268 L N 0.934 122.214 121.223 0.096 0.000 2.305 268 L HA 0.650 4.677 4.340 -0.522 0.000 0.284 268 L C -0.019 177.033 176.870 0.304 0.000 1.013 268 L CA -0.715 54.213 54.840 0.146 0.000 0.819 268 L CB 0.878 42.961 42.059 0.039 0.000 1.227 268 L HN 0.746 nan 8.230 nan 0.000 0.417 269 W N 5.196 126.746 121.300 0.416 0.000 2.293 269 W HA -0.019 4.339 4.660 -0.503 0.000 0.342 269 W C 1.329 177.966 176.519 0.197 0.000 1.274 269 W CA -0.684 56.881 57.345 0.367 0.000 1.290 269 W CB 0.759 30.539 29.460 0.534 0.000 1.176 269 W HN 0.611 nan 8.180 nan 0.000 0.570 270 L N 1.731 123.378 121.223 0.707 0.000 2.079 270 L HA -0.207 3.820 4.340 -0.522 0.000 0.210 270 L C 2.191 179.180 176.870 0.198 0.000 1.081 270 L CA 2.539 57.577 54.840 0.330 0.000 0.752 270 L CB -2.197 39.972 42.059 0.184 0.000 0.896 270 L HN 0.544 nan 8.230 nan 0.000 0.433 271 T N -2.970 111.670 114.554 0.142 0.000 2.737 271 T HA -0.171 3.866 4.350 -0.522 0.000 0.265 271 T C 1.571 176.328 174.700 0.095 0.000 1.038 271 T CA 1.407 63.540 62.100 0.055 0.000 1.144 271 T CB -0.837 68.025 68.868 -0.010 0.000 0.866 271 T HN 0.364 nan 8.240 nan 0.000 0.434 272 D N 1.761 122.248 120.400 0.145 0.000 2.144 272 D HA -0.071 4.256 4.640 -0.522 0.000 0.199 272 D C 2.130 178.457 176.300 0.045 0.000 0.984 272 D CA 1.395 55.442 54.000 0.079 0.000 0.834 272 D CB -0.667 40.147 40.800 0.023 0.000 0.955 272 D HN 0.538 nan 8.370 nan 0.000 0.465 273 V N -2.102 117.867 119.914 0.091 0.000 3.467 273 V HA 0.133 3.939 4.120 -0.522 0.000 0.275 273 V C 1.217 177.493 176.094 0.304 0.000 1.230 273 V CA 1.360 63.753 62.300 0.154 0.000 1.196 273 V CB -0.787 31.177 31.823 0.234 0.000 0.884 273 V HN 0.154 nan 8.190 nan 0.000 0.548 274 A N -0.779 122.144 122.820 0.171 0.000 1.853 274 A HA 0.136 4.143 4.320 -0.522 0.000 0.204 274 A C 2.043 179.654 177.584 0.045 0.000 1.724 274 A CA 0.553 52.661 52.037 0.117 0.000 1.105 274 A CB -0.703 18.298 19.000 0.003 0.000 1.101 274 A HN 0.631 nan 8.150 nan 0.000 0.495 275 H N -0.364 118.651 119.070 -0.091 0.000 2.319 275 H HA -0.266 3.978 4.556 -0.520 0.000 0.297 275 H C 2.053 177.268 175.328 -0.188 0.000 1.097 275 H CA 1.978 57.911 56.048 -0.191 0.000 1.285 275 H CB -0.437 29.202 29.762 -0.205 0.000 1.368 275 H HN 0.682 nan 8.280 nan 0.000 0.495 276 H N 0.407 119.235 119.070 -0.403 0.000 2.265 276 H HA -0.202 4.040 4.556 -0.524 0.000 0.295 276 H C 2.129 177.248 175.328 -0.349 0.000 1.084 276 H CA 2.054 57.822 56.048 -0.467 0.000 1.261 276 H CB -0.590 28.946 29.762 -0.377 0.000 1.360 276 H HN 0.523 nan 8.280 nan 0.000 0.487 277 H N 0.210 119.174 119.070 -0.177 0.000 2.353 277 H HA -0.138 4.104 4.556 -0.523 0.000 0.298 277 H C 2.572 177.737 175.328 -0.271 0.000 1.103 277 H CA 1.401 57.358 56.048 -0.152 0.000 1.293 277 H CB -0.261 29.590 29.762 0.148 0.000 1.372 277 H HN 0.318 nan 8.280 nan 0.000 0.501 278 L N 0.673 121.801 121.223 -0.158 0.000 1.921 278 L HA -0.136 3.891 4.340 -0.522 0.000 0.219 278 L C 2.711 179.232 176.870 -0.582 0.000 1.081 278 L CA 2.221 56.854 54.840 -0.345 0.000 0.771 278 L CB -1.311 40.572 42.059 -0.294 0.000 0.888 278 L HN 0.202 nan 8.230 nan 0.000 0.433 279 A N 0.048 122.522 122.820 -0.577 0.000 1.944 279 A HA -0.338 3.668 4.320 -0.522 0.000 0.222 279 A C 2.286 179.536 177.584 -0.557 0.000 1.237 279 A CA 3.223 54.899 52.037 -0.602 0.000 0.668 279 A CB -1.616 16.981 19.000 -0.671 0.000 0.830 279 A HN 0.799 nan 8.150 nan 0.000 0.471 280 I N -2.561 117.640 120.570 -0.615 0.000 2.315 280 I HA 0.007 3.864 4.170 -0.522 0.000 0.248 280 I C 2.250 178.125 176.117 -0.403 0.000 1.117 280 I CA 1.592 62.569 61.300 -0.539 0.000 1.404 280 I CB -0.591 36.974 38.000 -0.726 0.000 1.071 280 I HN 0.192 nan 8.210 nan 0.000 0.419 281 A N 0.556 123.143 122.820 -0.388 0.000 2.285 281 A HA -0.084 3.923 4.320 -0.522 0.000 0.214 281 A C 1.701 179.242 177.584 -0.072 0.000 1.188 281 A CA 1.297 53.214 52.037 -0.200 0.000 0.707 281 A CB -1.071 17.831 19.000 -0.163 0.000 0.771 281 A HN 0.551 nan 8.150 nan 0.000 0.488 282 F N -0.686 119.236 119.950 -0.047 0.000 2.164 282 F HA 0.096 4.309 4.527 -0.524 0.000 0.287 282 F C 2.041 177.857 175.800 0.027 0.000 1.086 282 F CA 0.496 58.492 58.000 -0.006 0.000 1.249 282 F CB -1.242 37.746 39.000 -0.019 0.000 1.059 282 F HN 0.091 nan 8.300 nan 0.000 0.490 283 L N -1.104 120.235 121.223 0.192 0.000 2.051 283 L HA -0.272 3.755 4.340 -0.522 0.000 0.214 283 L C 2.456 179.481 176.870 0.257 0.000 1.076 283 L CA 1.338 56.271 54.840 0.154 0.000 0.758 283 L CB -0.932 41.158 42.059 0.052 0.000 0.890 283 L HN 0.013 nan 8.230 nan 0.000 0.433 284 F N -0.742 119.213 119.950 0.009 0.000 2.186 284 F HA -0.133 4.081 4.527 -0.521 0.000 0.299 284 F C 2.325 178.151 175.800 0.043 0.000 1.090 284 F CA 0.779 58.786 58.000 0.011 0.000 1.307 284 F CB -0.597 38.411 39.000 0.014 0.000 1.019 284 F HN -0.055 nan 8.300 nan 0.000 0.489 285 L N -0.211 121.170 121.223 0.263 0.000 2.141 285 L HA -0.186 3.841 4.340 -0.522 0.000 0.209 285 L C 2.189 179.118 176.870 0.099 0.000 1.094 285 L CA 1.630 56.570 54.840 0.167 0.000 0.763 285 L CB -0.944 41.233 42.059 0.197 0.000 0.908 285 L HN 0.138 nan 8.230 nan 0.000 0.437 286 I N -1.391 119.245 120.570 0.111 0.000 2.500 286 I HA -0.092 3.765 4.170 -0.522 0.000 0.252 286 I C 2.507 178.630 176.117 0.010 0.000 1.142 286 I CA 0.838 62.168 61.300 0.050 0.000 1.451 286 I CB -0.642 37.395 38.000 0.062 0.000 1.093 286 I HN 0.183 nan 8.210 nan 0.000 0.430 287 G N 0.956 109.778 108.800 0.037 0.000 2.464 287 G HA2 -0.072 3.575 3.960 -0.522 0.000 0.214 287 G HA3 -0.072 3.575 3.960 -0.522 0.000 0.214 287 G C 1.095 175.922 174.900 -0.122 0.000 1.218 287 G CA 0.488 45.566 45.100 -0.038 0.000 0.794 287 G HN 0.454 nan 8.290 nan 0.000 0.542 288 G N -0.342 108.411 108.800 -0.078 0.000 2.265 288 G HA2 0.374 4.021 3.960 -0.522 0.000 0.240 288 G HA3 0.374 4.021 3.960 -0.522 0.000 0.240 288 G C -0.091 174.743 174.900 -0.111 0.000 1.270 288 G CA -0.065 44.985 45.100 -0.083 0.000 0.901 288 G HN 0.999 nan 8.290 nan 0.000 0.507 289 L N 0.471 121.594 121.223 -0.165 0.000 3.088 289 L HA -0.156 3.871 4.340 -0.522 0.000 0.711 289 L C 0.913 177.638 176.870 -0.242 0.000 1.162 289 L CA 0.887 55.615 54.840 -0.186 0.000 1.304 289 L CB -1.224 40.755 42.059 -0.135 0.000 1.913 289 L HN 0.815 nan 8.230 nan 0.000 0.917 290 M N -0.438 118.920 119.600 -0.404 0.000 1.999 290 M HA 0.226 4.393 4.480 -0.522 0.000 0.312 290 M C -0.473 175.469 176.300 -0.598 0.000 0.982 290 M CA 0.312 55.258 55.300 -0.589 0.000 1.125 290 M CB 0.955 33.003 32.600 -0.920 0.000 2.053 290 M HN 0.265 nan 8.290 nan 0.000 0.703 291 Y N 0.204 120.487 120.300 -0.028 0.000 2.662 291 Y HA 0.621 4.858 4.550 -0.522 0.000 0.335 291 Y C 0.002 175.864 175.900 -0.063 0.000 1.066 291 Y CA -1.464 56.622 58.100 -0.023 0.000 1.116 291 Y CB 0.180 38.609 38.460 -0.050 0.000 1.308 291 Y HN -0.165 nan 8.280 nan 0.000 0.502 292 R N 0.485 121.053 120.500 0.113 0.000 2.679 292 R HA 0.218 4.245 4.340 -0.522 0.000 0.268 292 R C -0.742 175.548 176.300 -0.017 0.000 1.044 292 R CA 0.410 56.527 56.100 0.028 0.000 1.105 292 R CB 0.025 30.348 30.300 0.038 0.000 0.989 292 R HN 0.826 nan 8.270 nan 0.000 0.447 293 T N 3.717 118.221 114.554 -0.084 0.000 3.542 293 T HA 0.150 4.187 4.350 -0.522 0.000 0.276 293 T C -0.163 174.661 174.700 0.206 0.000 1.412 293 T CA -0.612 61.474 62.100 -0.023 0.000 1.664 293 T CB -0.027 68.740 68.868 -0.169 0.000 0.863 293 T HN 0.541 nan 8.240 nan 0.000 0.661 294 N N 0.294 119.132 118.700 0.230 0.000 2.863 294 N HA -0.177 4.249 4.740 -0.522 0.000 0.245 294 N C 0.652 176.393 175.510 0.386 0.000 1.001 294 N CA 1.150 54.361 53.050 0.268 0.000 0.901 294 N CB -1.858 36.756 38.487 0.211 0.000 1.124 294 N HN 0.666 nan 8.380 nan 0.000 0.582 295 F N -0.143 119.808 119.950 0.001 0.000 2.293 295 F HA 0.128 4.341 4.527 -0.522 0.000 0.297 295 F C 2.166 177.959 175.800 -0.012 0.000 1.089 295 F CA 0.503 58.501 58.000 -0.004 0.000 1.377 295 F CB 0.018 39.014 39.000 -0.007 0.000 1.051 295 F HN 0.231 nan 8.300 nan 0.000 0.511 296 G N 1.468 110.370 108.800 0.171 0.000 2.159 296 G HA2 -0.276 3.371 3.960 -0.522 0.000 0.227 296 G HA3 -0.276 3.371 3.960 -0.522 0.000 0.227 296 G C 0.286 175.208 174.900 0.036 0.000 0.986 296 G CA 0.082 45.225 45.100 0.073 0.000 0.651 296 G HN 0.434 nan 8.290 nan 0.000 0.523 297 I N -1.337 119.255 120.570 0.037 0.000 2.886 297 I HA 0.700 4.557 4.170 -0.522 0.000 0.299 297 I C 1.499 177.587 176.117 -0.049 0.000 1.044 297 I CA -0.020 61.269 61.300 -0.019 0.000 1.310 297 I CB 1.009 38.992 38.000 -0.028 0.000 1.441 297 I HN 1.426 nan 8.210 nan 0.000 0.578 298 G N 3.005 111.748 108.800 -0.095 0.000 2.596 298 G HA2 -0.311 3.336 3.960 -0.522 0.000 0.295 298 G HA3 -0.311 3.336 3.960 -0.522 0.000 0.295 298 G C -0.347 174.507 174.900 -0.076 0.000 1.240 298 G CA 0.479 45.496 45.100 -0.138 0.000 0.985 298 G HN 1.063 nan 8.290 nan 0.000 0.555 299 H N 0.152 119.212 119.070 -0.018 0.000 2.572 299 H HA 0.591 4.833 4.556 -0.522 0.000 0.359 299 H C -0.012 175.328 175.328 0.020 0.000 1.134 299 H CA -0.184 55.873 56.048 0.016 0.000 1.187 299 H CB 1.669 31.474 29.762 0.072 0.000 1.597 299 H HN 0.765 nan 8.280 nan 0.000 0.524 300 S N 4.438 120.211 115.700 0.121 0.000 2.478 300 S HA 0.243 4.400 4.470 -0.522 0.000 0.312 300 S C 1.098 175.599 174.600 -0.165 0.000 1.094 300 S CA -0.845 57.322 58.200 -0.054 0.000 1.081 300 S CB 0.840 63.962 63.200 -0.130 0.000 1.007 300 S HN 0.568 nan 8.310 nan 0.000 0.475 301 I N 1.866 122.241 120.570 -0.325 0.000 2.286 301 I HA -0.115 3.742 4.170 -0.522 0.000 0.248 301 I C 1.455 177.261 176.117 -0.518 0.000 1.115 301 I CA 1.195 62.196 61.300 -0.499 0.000 1.392 301 I CB -0.879 36.718 38.000 -0.673 0.000 1.065 301 I HN 0.770 nan 8.210 nan 0.000 0.418 302 K N 0.251 120.328 120.400 -0.538 0.000 2.237 302 K HA 0.016 4.023 4.320 -0.522 0.000 0.270 302 K C -0.210 176.461 176.600 0.120 0.000 1.015 302 K CA -0.341 55.818 56.287 -0.213 0.000 0.949 302 K CB 1.298 33.713 32.500 -0.141 0.000 0.976 302 K HN 0.097 nan 8.250 nan 0.000 0.472 303 Y N -0.727 119.490 120.300 -0.139 0.000 4.716 303 Y HA -0.301 3.936 4.550 -0.522 0.000 0.300 303 Y C 1.092 176.967 175.900 -0.042 0.000 0.946 303 Y CA 1.197 59.261 58.100 -0.060 0.000 1.632 303 Y CB -1.823 36.614 38.460 -0.039 0.000 0.943 303 Y HN 0.724 nan 8.280 nan 0.000 0.420 304 I N -2.627 117.962 120.570 0.032 0.000 2.628 304 I HA -0.014 3.843 4.170 -0.522 0.000 0.255 304 I C 1.893 177.912 176.117 -0.163 0.000 1.119 304 I CA 0.924 62.206 61.300 -0.030 0.000 1.448 304 I CB -0.534 37.331 38.000 -0.224 0.000 1.133 304 I HN 0.128 nan 8.210 nan 0.000 0.438 305 L N 0.630 121.679 121.223 -0.290 0.000 1.961 305 L HA -0.055 3.971 4.340 -0.522 0.000 0.209 305 L C 1.784 178.539 176.870 -0.192 0.000 1.075 305 L CA 1.255 55.843 54.840 -0.421 0.000 0.749 305 L CB -0.979 40.784 42.059 -0.493 0.000 0.890 305 L HN 0.346 nan 8.230 nan 0.000 0.433 306 E N 0.004 120.130 120.200 -0.124 0.000 3.401 306 E HA -0.388 3.649 4.350 -0.522 0.000 0.352 306 E C 0.717 177.323 176.600 0.010 0.000 1.523 306 E CA 1.672 58.024 56.400 -0.079 0.000 1.794 306 E CB -1.206 28.431 29.700 -0.105 0.000 1.792 306 E HN 0.360 nan 8.360 nan 0.000 0.471 307 A N 0.600 123.424 122.820 0.007 0.000 2.415 307 A HA 0.118 4.124 4.320 -0.522 0.000 0.248 307 A C 1.218 178.850 177.584 0.080 0.000 1.299 307 A CA 0.833 52.890 52.037 0.034 0.000 0.899 307 A CB -0.588 18.406 19.000 -0.009 0.000 0.997 307 A HN 0.510 nan 8.150 nan 0.000 0.506 308 H N 1.321 120.394 119.070 0.005 0.000 4.357 308 H HA 0.085 4.328 4.556 -0.522 0.000 0.296 308 H C 0.681 176.028 175.328 0.032 0.000 0.959 308 H CA 2.016 58.065 56.048 0.002 0.000 0.902 308 H CB -0.140 29.594 29.762 -0.046 0.000 2.005 308 H HN 0.912 nan 8.280 nan 0.000 1.348 309 I N -3.144 117.535 120.570 0.182 0.000 7.557 309 I HA -0.163 3.694 4.170 -0.522 0.000 0.126 309 I C -2.501 173.677 176.117 0.102 0.000 1.842 309 I CA -0.095 61.408 61.300 0.338 0.000 2.037 309 I CB -0.890 37.273 38.000 0.271 0.000 3.673 309 I HN 0.310 nan 8.210 nan 0.000 0.169 310 P HA 0.205 nan 4.420 nan 0.000 0.214 310 P C -1.699 175.626 177.300 0.042 0.000 1.162 310 P CA 1.696 64.835 63.100 0.066 0.000 0.874 310 P CB -0.757 31.002 31.700 0.098 0.000 0.784 311 P HA 0.330 nan 4.420 nan 0.000 0.295 311 P C 1.143 178.465 177.300 0.036 0.000 1.303 311 P CA -0.561 62.560 63.100 0.035 0.000 0.907 311 P CB 0.484 32.201 31.700 0.029 0.000 1.322 312 G N 0.142 108.951 108.800 0.015 0.000 2.759 312 G HA2 -0.244 3.403 3.960 -0.522 0.000 0.224 312 G HA3 -0.244 3.403 3.960 -0.522 0.000 0.224 312 G C 1.273 176.180 174.900 0.011 0.000 1.173 312 G CA 2.191 47.296 45.100 0.009 0.000 0.770 312 G HN 0.961 nan 8.290 nan 0.000 0.626 313 G N -0.556 108.254 108.800 0.017 0.000 2.746 313 G HA2 -0.412 3.234 3.960 -0.522 0.000 0.236 313 G HA3 -0.412 3.234 3.960 -0.522 0.000 0.236 313 G C 1.293 176.196 174.900 0.005 0.000 1.172 313 G CA 1.134 46.241 45.100 0.011 0.000 0.736 313 G HN 0.729 nan 8.290 nan 0.000 0.519 314 R N 0.037 120.538 120.500 0.003 0.000 2.586 314 R HA 0.424 4.451 4.340 -0.522 0.000 0.336 314 R C 1.741 178.040 176.300 -0.002 0.000 1.060 314 R CA -0.144 55.956 56.100 0.000 0.000 1.079 314 R CB 0.116 30.415 30.300 -0.001 0.000 1.317 314 R HN 0.380 nan 8.270 nan 0.000 0.568 315 L N 0.031 121.253 121.223 -0.002 0.000 2.162 315 L HA 0.159 4.186 4.340 -0.522 0.000 0.205 315 L C 0.716 177.580 176.870 -0.011 0.000 1.086 315 L CA 2.133 56.968 54.840 -0.008 0.000 0.778 315 L CB -0.496 41.558 42.059 -0.010 0.000 0.928 315 L HN 0.455 nan 8.230 nan 0.000 0.446 316 G N 1.895 110.691 108.800 -0.006 0.000 2.248 316 G HA2 -0.213 3.433 3.960 -0.522 0.000 0.263 316 G HA3 -0.213 3.433 3.960 -0.522 0.000 0.263 316 G C -0.379 174.514 174.900 -0.012 0.000 1.082 316 G CA 0.043 45.139 45.100 -0.007 0.000 0.863 316 G HN 0.379 nan 8.290 nan 0.000 0.495 317 R N -0.085 120.407 120.500 -0.013 0.000 2.476 317 R HA 0.641 4.668 4.340 -0.522 0.000 0.305 317 R C 0.721 177.009 176.300 -0.020 0.000 0.965 317 R CA -0.470 55.618 56.100 -0.021 0.000 0.867 317 R CB 1.069 31.346 30.300 -0.038 0.000 1.176 317 R HN 0.600 nan 8.270 nan 0.000 0.447 318 G N 0.921 109.714 108.800 -0.013 0.000 2.554 318 G HA2 -0.031 3.616 3.960 -0.522 0.000 0.238 318 G HA3 -0.031 3.616 3.960 -0.522 0.000 0.238 318 G C 0.274 175.157 174.900 -0.029 0.000 1.259 318 G CA -0.119 44.983 45.100 0.002 0.000 0.843 318 G HN 0.612 nan 8.290 nan 0.000 0.582 319 H N 0.254 119.343 119.070 0.031 0.000 2.592 319 H HA 0.088 4.331 4.556 -0.522 0.000 0.265 319 H C 1.521 176.860 175.328 0.019 0.000 0.955 319 H CA 0.309 56.374 56.048 0.027 0.000 1.175 319 H CB 0.435 30.211 29.762 0.024 0.000 1.433 319 H HN 0.629 nan 8.280 nan 0.000 0.537 320 K N 0.255 120.742 120.400 0.145 0.000 2.286 320 K HA 0.041 4.048 4.320 -0.522 0.000 0.256 320 K C 0.743 177.407 176.600 0.105 0.000 0.999 320 K CA 0.374 56.715 56.287 0.091 0.000 0.908 320 K CB 0.280 32.808 32.500 0.047 0.000 0.981 320 K HN 0.111 nan 8.250 nan 0.000 0.500 321 G N 2.947 111.797 108.800 0.083 0.000 2.091 321 G HA2 -0.211 3.436 3.960 -0.522 0.000 0.245 321 G HA3 -0.211 3.436 3.960 -0.522 0.000 0.245 321 G C 0.793 175.759 174.900 0.109 0.000 0.657 321 G CA 0.388 45.546 45.100 0.097 0.000 1.157 321 G HN 0.656 nan 8.290 nan 0.000 0.492 322 L N -0.983 120.313 121.223 0.122 0.000 2.081 322 L HA -0.209 3.818 4.340 -0.522 0.000 0.212 322 L C 2.483 179.358 176.870 0.009 0.000 1.080 322 L CA 1.529 56.415 54.840 0.076 0.000 0.754 322 L CB -0.349 41.764 42.059 0.090 0.000 0.893 322 L HN 0.568 nan 8.230 nan 0.000 0.433 323 Y N 1.686 121.924 120.300 -0.104 0.000 2.181 323 Y HA -0.301 3.936 4.550 -0.522 0.000 0.288 323 Y C 2.356 178.202 175.900 -0.090 0.000 1.146 323 Y CA 1.986 60.008 58.100 -0.131 0.000 1.164 323 Y CB -0.265 38.127 38.460 -0.114 0.000 0.982 323 Y HN 0.491 nan 8.280 nan 0.000 0.515 324 D N -2.210 118.118 120.400 -0.119 0.000 2.317 324 D HA -0.108 4.219 4.640 -0.522 0.000 0.211 324 D C 1.949 178.208 176.300 -0.068 0.000 0.966 324 D CA 1.321 55.220 54.000 -0.169 0.000 0.876 324 D CB -0.987 39.761 40.800 -0.088 0.000 0.927 324 D HN 0.350 nan 8.370 nan 0.000 0.519 325 T N -0.373 114.177 114.554 -0.005 0.000 2.942 325 T HA 0.048 4.085 4.350 -0.522 0.000 0.265 325 T C 1.812 176.556 174.700 0.073 0.000 1.062 325 T CA 0.500 62.648 62.100 0.080 0.000 1.139 325 T CB -0.400 68.571 68.868 0.171 0.000 0.883 325 T HN 0.257 nan 8.240 nan 0.000 0.468 326 I N 0.408 120.902 120.570 -0.128 0.000 2.439 326 I HA -0.040 3.816 4.170 -0.522 0.000 0.251 326 I C 2.318 178.326 176.117 -0.182 0.000 1.139 326 I CA 1.133 62.261 61.300 -0.286 0.000 1.438 326 I CB -0.304 37.276 38.000 -0.700 0.000 1.085 326 I HN 0.332 nan 8.210 nan 0.000 0.427 327 N N 0.988 119.544 118.700 -0.240 0.000 2.106 327 N HA -0.193 4.233 4.740 -0.522 0.000 0.188 327 N C 1.413 176.885 175.510 -0.064 0.000 1.029 327 N CA 1.579 54.490 53.050 -0.232 0.000 0.848 327 N CB -0.117 38.090 38.487 -0.467 0.000 1.007 327 N HN 0.504 nan 8.380 nan 0.000 0.423 328 N N -0.049 118.629 118.700 -0.038 0.000 2.381 328 N HA -0.100 4.327 4.740 -0.522 0.000 0.182 328 N C 1.859 177.431 175.510 0.104 0.000 1.025 328 N CA 0.923 54.004 53.050 0.050 0.000 0.888 328 N CB 0.084 38.593 38.487 0.037 0.000 0.965 328 N HN 0.279 nan 8.380 nan 0.000 0.438 329 S N 1.083 116.856 115.700 0.123 0.000 2.362 329 S HA -0.073 4.083 4.470 -0.522 0.000 0.221 329 S C 1.513 176.215 174.600 0.170 0.000 1.032 329 S CA 0.622 58.938 58.200 0.194 0.000 0.973 329 S CB -0.085 63.273 63.200 0.263 0.000 0.849 329 S HN 0.260 nan 8.310 nan 0.000 0.465 330 I N 0.350 120.982 120.570 0.102 0.000 4.586 330 I HA -0.316 3.540 4.170 -0.522 0.000 0.195 330 I C 0.864 176.989 176.117 0.012 0.000 1.533 330 I CA 1.666 62.975 61.300 0.015 0.000 1.320 330 I CB -1.528 36.392 38.000 -0.134 0.000 2.386 330 I HN 0.620 nan 8.210 nan 0.000 0.279 331 H N -1.979 117.124 119.070 0.056 0.000 2.521 331 H HA 0.165 4.408 4.556 -0.522 0.000 0.267 331 H C 1.846 177.220 175.328 0.078 0.000 0.963 331 H CA 0.795 56.891 56.048 0.079 0.000 1.175 331 H CB -0.177 29.645 29.762 0.101 0.000 1.450 331 H HN 0.421 nan 8.280 nan 0.000 0.472 332 F N 2.482 122.427 119.950 -0.010 0.000 2.063 332 F HA -0.361 3.853 4.527 -0.522 0.000 0.298 332 F C 2.697 178.413 175.800 -0.140 0.000 1.109 332 F CA 1.633 59.500 58.000 -0.221 0.000 1.212 332 F CB 0.171 38.926 39.000 -0.409 0.000 0.973 332 F HN 0.191 nan 8.300 nan 0.000 0.480 333 Q N -0.278 119.591 119.800 0.116 0.000 1.967 333 Q HA -0.276 3.751 4.340 -0.522 0.000 0.210 333 Q C 1.341 177.324 176.000 -0.029 0.000 1.005 333 Q CA 1.817 57.621 55.803 0.001 0.000 0.862 333 Q CB -0.604 28.122 28.738 -0.019 0.000 0.939 333 Q HN 0.333 nan 8.270 nan 0.000 0.417 334 L N 0.208 121.382 121.223 -0.082 0.000 2.697 334 L HA 0.163 4.190 4.340 -0.522 0.000 0.239 334 L C 0.377 177.157 176.870 -0.151 0.000 1.430 334 L CA 1.217 55.953 54.840 -0.174 0.000 1.193 334 L CB -0.282 41.585 42.059 -0.320 0.000 1.516 334 L HN 0.273 nan 8.230 nan 0.000 0.439 335 G N -0.043 108.726 108.800 -0.052 0.000 4.225 335 G HA2 -0.004 3.643 3.960 -0.522 0.000 0.177 335 G HA3 -0.004 3.643 3.960 -0.522 0.000 0.177 335 G C 0.588 175.480 174.900 -0.014 0.000 0.949 335 G CA 0.135 45.225 45.100 -0.018 0.000 0.796 335 G HN 0.366 nan 8.290 nan 0.000 0.504 336 L N 0.759 121.984 121.223 0.004 0.000 2.515 336 L HA 0.405 4.432 4.340 -0.522 0.000 0.223 336 L C 2.905 179.760 176.870 -0.026 0.000 1.079 336 L CA 1.015 55.848 54.840 -0.012 0.000 0.857 336 L CB 0.128 42.181 42.059 -0.010 0.000 1.050 336 L HN 0.214 nan 8.230 nan 0.000 0.476 337 A N 0.624 123.425 122.820 -0.030 0.000 1.834 337 A HA -0.110 3.897 4.320 -0.522 0.000 0.216 337 A C 1.112 178.676 177.584 -0.034 0.000 1.203 337 A CA 0.956 52.976 52.037 -0.029 0.000 0.621 337 A CB -0.909 18.062 19.000 -0.048 0.000 0.841 337 A HN 0.195 nan 8.150 nan 0.000 0.446 338 L N -0.331 120.855 121.223 -0.061 0.000 2.455 338 L HA 0.402 4.428 4.340 -0.522 0.000 0.272 338 L C 0.689 177.531 176.870 -0.048 0.000 1.174 338 L CA 0.499 55.309 54.840 -0.052 0.000 0.869 338 L CB -0.103 41.912 42.059 -0.073 0.000 1.130 338 L HN 0.890 nan 8.230 nan 0.000 0.474 339 A N 2.682 125.481 122.820 -0.035 0.000 2.454 339 A HA -0.051 3.956 4.320 -0.522 0.000 0.685 339 A C 0.914 178.480 177.584 -0.029 0.000 0.152 339 A CA 0.059 52.068 52.037 -0.048 0.000 0.038 339 A CB -1.350 17.583 19.000 -0.111 0.000 3.970 339 A HN 1.116 nan 8.150 nan 0.000 0.548 340 S N -1.210 114.479 115.700 -0.019 0.000 3.686 340 S HA -0.372 3.784 4.470 -0.522 0.000 0.247 340 S C 1.294 175.902 174.600 0.013 0.000 1.674 340 S CA 2.188 60.389 58.200 0.003 0.000 3.746 340 S CB -1.575 61.630 63.200 0.009 0.000 0.692 340 S HN 2.272 nan 8.310 nan 0.000 0.466 341 L N 2.858 124.091 121.223 0.015 0.000 2.012 341 L HA 0.053 4.079 4.340 -0.522 0.000 0.210 341 L C 2.554 179.427 176.870 0.006 0.000 1.073 341 L CA 2.749 57.600 54.840 0.018 0.000 0.748 341 L CB -1.382 40.687 42.059 0.016 0.000 0.891 341 L HN 0.623 nan 8.230 nan 0.000 0.431 342 G N -1.672 107.128 108.800 0.001 0.000 2.433 342 G HA2 -0.216 3.430 3.960 -0.522 0.000 0.216 342 G HA3 -0.216 3.430 3.960 -0.522 0.000 0.216 342 G C 1.635 176.533 174.900 -0.004 0.000 1.186 342 G CA 0.985 46.086 45.100 0.003 0.000 0.779 342 G HN 0.290 nan 8.290 nan 0.000 0.543 343 V N 1.719 121.630 119.914 -0.005 0.000 2.343 343 V HA -0.180 3.626 4.120 -0.522 0.000 0.247 343 V C 2.757 178.851 176.094 -0.000 0.000 1.051 343 V CA 2.008 64.307 62.300 -0.001 0.000 1.036 343 V CB -0.344 31.481 31.823 0.003 0.000 0.654 343 V HN 0.606 nan 8.190 nan 0.000 0.451 344 I N -1.992 118.581 120.570 0.004 0.000 3.059 344 I HA -0.038 3.818 4.170 -0.522 0.000 0.270 344 I C 2.025 178.127 176.117 -0.024 0.000 1.238 344 I CA 1.462 62.766 61.300 0.008 0.000 1.478 344 I CB -1.116 36.900 38.000 0.026 0.000 1.097 344 I HN 0.081 nan 8.210 nan 0.000 0.455 345 T N -0.405 114.125 114.554 -0.040 0.000 2.881 345 T HA -0.132 3.905 4.350 -0.522 0.000 0.270 345 T C 1.924 176.549 174.700 -0.126 0.000 1.068 345 T CA 1.711 63.758 62.100 -0.087 0.000 1.131 345 T CB -0.294 68.550 68.868 -0.040 0.000 0.871 345 T HN 0.532 nan 8.240 nan 0.000 0.479 346 S N 0.220 115.866 115.700 -0.090 0.000 2.456 346 S HA 0.189 4.346 4.470 -0.522 0.000 0.224 346 S C 1.884 176.424 174.600 -0.100 0.000 1.035 346 S CA -0.225 57.904 58.200 -0.119 0.000 0.940 346 S CB -0.295 62.847 63.200 -0.097 0.000 0.799 346 S HN 0.288 nan 8.310 nan 0.000 0.508 347 L N 1.974 123.164 121.223 -0.055 0.000 2.079 347 L HA -0.037 3.990 4.340 -0.522 0.000 0.210 347 L C 2.263 179.184 176.870 0.085 0.000 1.081 347 L CA 1.451 56.280 54.840 -0.019 0.000 0.752 347 L CB -1.147 40.952 42.059 0.067 0.000 0.896 347 L HN 0.229 nan 8.230 nan 0.000 0.433 348 V N 0.492 120.412 119.914 0.010 0.000 2.231 348 V HA -0.322 3.485 4.120 -0.522 0.000 0.248 348 V C 2.677 178.755 176.094 -0.026 0.000 1.054 348 V CA 2.133 64.410 62.300 -0.038 0.000 1.015 348 V CB -0.684 31.018 31.823 -0.202 0.000 0.638 348 V HN 0.607 nan 8.190 nan 0.000 0.444 349 A N -2.250 120.509 122.820 -0.103 0.000 2.178 349 A HA -0.026 3.981 4.320 -0.522 0.000 0.211 349 A C 1.993 179.601 177.584 0.041 0.000 1.157 349 A CA 0.854 52.844 52.037 -0.078 0.000 0.780 349 A CB -0.146 18.743 19.000 -0.184 0.000 0.828 349 A HN 0.608 nan 8.150 nan 0.000 0.476 350 Q N -1.824 118.025 119.800 0.081 0.000 2.396 350 Q HA 0.072 4.098 4.340 -0.522 0.000 0.209 350 Q C 1.268 177.515 176.000 0.411 0.000 0.906 350 Q CA 0.347 56.369 55.803 0.366 0.000 0.927 350 Q CB 0.138 28.976 28.738 0.168 0.000 1.069 350 Q HN 0.894 nan 8.270 nan 0.000 0.523 351 H N -0.848 118.363 119.070 0.236 0.000 2.465 351 H HA 0.085 4.329 4.556 -0.521 0.000 0.289 351 H C 1.722 177.114 175.328 0.107 0.000 1.022 351 H CA 0.652 56.760 56.048 0.101 0.000 1.340 351 H CB 0.303 30.074 29.762 0.015 0.000 1.437 351 H HN 0.137 nan 8.280 nan 0.000 0.539 352 M N 1.040 120.808 119.600 0.281 0.000 2.539 352 M HA -0.099 4.067 4.480 -0.522 0.000 0.261 352 M C -0.233 176.271 176.300 0.340 0.000 1.069 352 M CA 0.992 56.422 55.300 0.217 0.000 1.081 352 M CB 0.128 32.832 32.600 0.172 0.000 1.412 352 M HN 0.251 nan 8.290 nan 0.000 0.482 353 Y N -2.514 117.982 120.300 0.326 0.000 2.567 353 Y HA 0.543 4.780 4.550 -0.521 0.000 0.333 353 Y C 0.885 176.981 175.900 0.327 0.000 1.106 353 Y CA -0.682 57.686 58.100 0.448 0.000 1.157 353 Y CB 0.961 39.919 38.460 0.829 0.000 1.277 353 Y HN 0.238 nan 8.280 nan 0.000 0.490 354 S N 0.452 115.991 115.700 -0.268 0.000 1.998 354 S HA -0.292 3.864 4.470 -0.522 0.000 0.225 354 S C 0.069 174.624 174.600 -0.076 0.000 1.062 354 S CA 2.018 60.001 58.200 -0.361 0.000 1.630 354 S CB -1.489 61.241 63.200 -0.783 0.000 2.147 354 S HN 0.731 nan 8.310 nan 0.000 0.569 355 L N 1.810 123.022 121.223 -0.017 0.000 2.913 355 L HA 0.321 4.348 4.340 -0.522 0.000 0.283 355 L C -2.730 174.161 176.870 0.035 0.000 1.336 355 L CA -1.511 53.345 54.840 0.026 0.000 0.815 355 L CB 0.924 42.977 42.059 -0.009 0.000 1.188 355 L HN 0.119 nan 8.230 nan 0.000 0.551 356 P HA 0.116 nan 4.420 nan 0.000 0.275 356 P C 0.424 177.702 177.300 -0.037 0.000 1.227 356 P CA -0.181 62.942 63.100 0.038 0.000 0.781 356 P CB 1.622 33.413 31.700 0.152 0.000 0.906 357 A N 2.092 124.754 122.820 -0.263 0.000 2.307 357 A HA 0.154 4.161 4.320 -0.522 0.000 0.218 357 A C -0.192 177.459 177.584 0.111 0.000 1.228 357 A CA 0.517 52.428 52.037 -0.210 0.000 0.857 357 A CB -0.692 18.088 19.000 -0.367 0.000 0.897 357 A HN 0.454 nan 8.150 nan 0.000 0.495 358 Y N -0.652 119.776 120.300 0.212 0.000 2.409 358 Y HA 0.615 4.851 4.550 -0.524 0.000 0.343 358 Y C 0.574 176.587 175.900 0.187 0.000 0.973 358 Y CA -1.874 56.379 58.100 0.255 0.000 1.064 358 Y CB 1.063 39.707 38.460 0.306 0.000 1.207 358 Y HN 0.172 nan 8.280 nan 0.000 0.452 359 A N 2.511 125.557 122.820 0.377 0.000 2.531 359 A HA 0.322 4.329 4.320 -0.522 0.000 0.236 359 A C 0.076 177.737 177.584 0.128 0.000 1.062 359 A CA -0.014 52.020 52.037 -0.004 0.000 0.760 359 A CB -0.851 18.151 19.000 0.003 0.000 0.995 359 A HN 0.881 nan 8.150 nan 0.000 0.501 360 F N -0.949 119.060 119.950 0.099 0.000 3.084 360 F HA -0.191 4.023 4.527 -0.522 0.000 0.286 360 F C 0.341 176.208 175.800 0.111 0.000 0.855 360 F CA 0.447 58.462 58.000 0.027 0.000 1.091 360 F CB -1.528 37.416 39.000 -0.094 0.000 1.177 360 F HN 0.492 nan 8.300 nan 0.000 0.542 361 I N 0.349 121.081 120.570 0.269 0.000 2.646 361 I HA 0.655 4.512 4.170 -0.522 0.000 0.299 361 I C 0.389 176.622 176.117 0.193 0.000 1.036 361 I CA -0.484 60.981 61.300 0.274 0.000 1.074 361 I CB 1.903 40.133 38.000 0.384 0.000 1.258 361 I HN 0.145 nan 8.210 nan 0.000 0.430 362 A N 5.916 128.854 122.820 0.197 0.000 1.524 362 A HA -0.181 3.826 4.320 -0.522 0.000 0.196 362 A C 0.642 178.220 177.584 -0.010 0.000 1.263 362 A CA 1.385 53.553 52.037 0.219 0.000 0.624 362 A CB -1.216 17.977 19.000 0.322 0.000 1.151 362 A HN 1.290 nan 8.150 nan 0.000 0.179 363 Q N -0.561 118.992 119.800 -0.412 0.000 2.406 363 Q HA -0.306 3.721 4.340 -0.522 0.000 0.164 363 Q C 0.366 175.855 176.000 -0.852 0.000 0.570 363 Q CA 2.415 57.591 55.803 -1.044 0.000 1.324 363 Q CB -2.013 26.468 28.738 -0.429 0.000 1.119 363 Q HN 1.221 nan 8.270 nan 0.000 1.026 364 D N 0.623 120.843 120.400 -0.301 0.000 2.162 364 D HA -0.011 4.316 4.640 -0.522 0.000 0.205 364 D C 1.224 177.698 176.300 0.289 0.000 0.964 364 D CA 2.095 56.075 54.000 -0.033 0.000 0.847 364 D CB -0.187 40.691 40.800 0.129 0.000 0.988 364 D HN 0.760 nan 8.370 nan 0.000 0.480 365 F N -2.666 117.215 119.950 -0.115 0.000 2.871 365 F HA -0.330 3.884 4.527 -0.520 0.000 0.326 365 F C 0.367 175.982 175.800 -0.307 0.000 0.675 365 F CA 0.724 58.501 58.000 -0.372 0.000 1.188 365 F CB -2.337 36.023 39.000 -1.067 0.000 1.567 365 F HN -0.013 nan 8.300 nan 0.000 0.325 366 T N -0.868 113.740 114.554 0.089 0.000 3.009 366 T HA -0.004 4.032 4.350 -0.522 0.000 0.258 366 T C 1.413 176.220 174.700 0.178 0.000 1.063 366 T CA 1.591 63.747 62.100 0.093 0.000 1.139 366 T CB 0.184 69.165 68.868 0.188 0.000 0.890 366 T HN 0.499 nan 8.240 nan 0.000 0.471 367 T N 0.879 115.564 114.554 0.218 0.000 3.023 367 T HA 0.131 4.167 4.350 -0.522 0.000 0.253 367 T C 1.656 176.490 174.700 0.223 0.000 1.038 367 T CA 0.086 62.325 62.100 0.233 0.000 0.962 367 T CB 0.188 69.165 68.868 0.181 0.000 1.018 367 T HN 0.084 nan 8.240 nan 0.000 0.521 368 Q N 0.893 120.850 119.800 0.262 0.000 2.432 368 Q HA 0.350 4.377 4.340 -0.522 0.000 0.205 368 Q C 1.561 177.730 176.000 0.281 0.000 0.945 368 Q CA 0.566 56.574 55.803 0.342 0.000 0.924 368 Q CB 0.063 29.086 28.738 0.475 0.000 1.016 368 Q HN 0.424 nan 8.270 nan 0.000 0.503 369 A N -1.408 121.521 122.820 0.182 0.000 2.469 369 A HA 0.667 4.674 4.320 -0.522 0.000 0.245 369 A C 0.759 178.272 177.584 -0.117 0.000 1.221 369 A CA 0.307 52.346 52.037 0.004 0.000 0.946 369 A CB 0.481 19.631 19.000 0.250 0.000 1.049 369 A HN 0.163 nan 8.150 nan 0.000 0.529 370 A N -0.500 122.302 122.820 -0.031 0.000 2.956 370 A HA 0.637 4.644 4.320 -0.522 0.000 0.294 370 A C 0.006 177.613 177.584 0.038 0.000 0.993 370 A CA 0.129 52.142 52.037 -0.039 0.000 1.032 370 A CB -0.237 18.711 19.000 -0.088 0.000 1.129 370 A HN 0.968 nan 8.150 nan 0.000 0.505 371 L N -2.685 118.579 121.223 0.068 0.000 5.014 371 L HA 0.219 4.245 4.340 -0.522 0.000 0.507 371 L C 0.794 177.766 176.870 0.170 0.000 0.848 371 L CA 0.397 55.323 54.840 0.143 0.000 2.035 371 L CB -0.442 41.721 42.059 0.175 0.000 1.926 371 L HN 0.390 nan 8.230 nan 0.000 0.609 372 Y N -0.341 119.883 120.300 -0.126 0.000 2.490 372 Y HA 0.134 4.371 4.550 -0.523 0.000 0.285 372 Y C 1.408 177.240 175.900 -0.112 0.000 1.117 372 Y CA 1.842 59.793 58.100 -0.248 0.000 1.262 372 Y CB 0.288 38.211 38.460 -0.894 0.000 1.043 372 Y HN 0.120 nan 8.280 nan 0.000 0.553 373 T N -1.072 113.510 114.554 0.047 0.000 3.023 373 T HA -0.037 4.000 4.350 -0.522 0.000 0.249 373 T C 1.121 175.953 174.700 0.221 0.000 1.050 373 T CA 0.481 62.673 62.100 0.154 0.000 1.088 373 T CB -0.290 68.737 68.868 0.266 0.000 0.946 373 T HN 0.466 nan 8.240 nan 0.000 0.480 374 H N 0.966 120.046 119.070 0.018 0.000 2.842 374 H HA 0.126 4.369 4.556 -0.523 0.000 0.312 374 H C 0.087 175.300 175.328 -0.192 0.000 1.137 374 H CA 0.456 56.462 56.048 -0.070 0.000 1.176 374 H CB -0.224 29.439 29.762 -0.166 0.000 1.361 374 H HN 0.277 nan 8.280 nan 0.000 0.557 375 H N -0.825 118.154 119.070 -0.152 0.000 3.126 375 H HA 0.037 4.280 4.556 -0.522 0.000 0.226 375 H C 1.073 176.282 175.328 -0.199 0.000 1.069 375 H CA -0.127 55.788 56.048 -0.221 0.000 1.015 375 H CB 0.424 30.068 29.762 -0.197 0.000 1.606 375 H HN 0.357 nan 8.280 nan 0.000 0.740 376 Q N -0.565 119.212 119.800 -0.038 0.000 2.548 376 Q HA 0.180 4.207 4.340 -0.522 0.000 0.230 376 Q C -0.053 175.919 176.000 -0.045 0.000 0.899 376 Q CA 0.408 56.139 55.803 -0.120 0.000 0.936 376 Q CB 0.695 29.297 28.738 -0.226 0.000 1.114 376 Q HN 0.240 nan 8.270 nan 0.000 0.606 377 Y N 0.835 121.201 120.300 0.110 0.000 2.346 377 Y HA 0.212 4.448 4.550 -0.522 0.000 0.330 377 Y C 1.153 177.175 175.900 0.204 0.000 1.178 377 Y CA 0.037 58.312 58.100 0.292 0.000 1.331 377 Y CB 0.397 39.051 38.460 0.324 0.000 1.253 377 Y HN 0.053 nan 8.280 nan 0.000 0.529 378 I N -0.444 120.428 120.570 0.503 0.000 9.278 378 I HA -0.408 3.449 4.170 -0.522 0.000 0.297 378 I C 1.231 177.464 176.117 0.194 0.000 1.907 378 I CA 0.343 61.791 61.300 0.245 0.000 2.024 378 I CB -1.372 36.653 38.000 0.043 0.000 3.984 378 I HN 0.817 nan 8.210 nan 0.000 0.195 379 A N -0.233 122.649 122.820 0.103 0.000 1.700 379 A HA -0.351 3.656 4.320 -0.522 0.000 0.225 379 A C 1.773 179.372 177.584 0.025 0.000 0.353 379 A CA 3.917 55.979 52.037 0.041 0.000 1.097 379 A CB -2.395 16.602 19.000 -0.005 0.000 1.457 379 A HN 2.287 nan 8.150 nan 0.000 0.714 380 G N -3.055 105.747 108.800 0.004 0.000 2.439 380 G HA2 0.172 3.819 3.960 -0.522 0.000 0.212 380 G HA3 0.172 3.819 3.960 -0.522 0.000 0.212 380 G C 1.245 176.120 174.900 -0.042 0.000 1.199 380 G CA 1.046 46.100 45.100 -0.078 0.000 0.807 380 G HN 0.595 nan 8.290 nan 0.000 0.537 381 F N 0.524 120.458 119.950 -0.026 0.000 2.225 381 F HA -0.085 4.129 4.527 -0.522 0.000 0.302 381 F C 2.132 177.957 175.800 0.041 0.000 1.068 381 F CA 0.424 58.432 58.000 0.014 0.000 1.327 381 F CB -0.114 38.917 39.000 0.052 0.000 1.043 381 F HN 0.064 nan 8.300 nan 0.000 0.506 382 I N -1.341 119.344 120.570 0.193 0.000 4.732 382 I HA -0.249 3.608 4.170 -0.522 0.000 0.183 382 I C 2.034 178.227 176.117 0.127 0.000 0.976 382 I CA 0.599 61.980 61.300 0.134 0.000 1.451 382 I CB -0.481 37.566 38.000 0.080 0.000 1.312 382 I HN -0.053 nan 8.210 nan 0.000 0.434 383 M N -0.428 119.228 119.600 0.092 0.000 1.566 383 M HA -0.422 3.744 4.480 -0.522 0.000 0.275 383 M C 2.052 178.512 176.300 0.266 0.000 0.428 383 M CA 3.014 58.389 55.300 0.126 0.000 0.753 383 M CB -3.154 29.513 32.600 0.112 0.000 1.833 383 M HN 0.693 nan 8.290 nan 0.000 0.365 384 T N -2.335 112.347 114.554 0.214 0.000 2.622 384 T HA -0.063 3.974 4.350 -0.522 0.000 0.266 384 T C 1.860 176.801 174.700 0.401 0.000 1.047 384 T CA 2.354 64.600 62.100 0.242 0.000 1.159 384 T CB -1.357 67.529 68.868 0.030 0.000 0.863 384 T HN 0.612 nan 8.240 nan 0.000 0.422 385 G N 0.997 110.017 108.800 0.366 0.000 2.443 385 G HA2 0.152 3.799 3.960 -0.522 0.000 0.219 385 G HA3 0.152 3.799 3.960 -0.522 0.000 0.219 385 G C 1.847 176.954 174.900 0.345 0.000 1.131 385 G CA 0.802 46.145 45.100 0.406 0.000 0.775 385 G HN 0.776 nan 8.290 nan 0.000 0.547 386 A N 0.513 123.456 122.820 0.204 0.000 1.873 386 A HA 0.138 4.145 4.320 -0.522 0.000 0.215 386 A C 2.055 179.711 177.584 0.120 0.000 1.186 386 A CA 1.102 53.188 52.037 0.081 0.000 0.616 386 A CB -0.502 18.476 19.000 -0.037 0.000 0.823 386 A HN 0.268 nan 8.150 nan 0.000 0.442 387 F N -0.229 119.815 119.950 0.157 0.000 2.502 387 F HA 0.129 4.343 4.527 -0.522 0.000 0.298 387 F C 2.428 178.349 175.800 0.201 0.000 1.111 387 F CA 0.548 58.639 58.000 0.151 0.000 1.445 387 F CB -0.012 39.063 39.000 0.126 0.000 1.081 387 F HN 0.262 nan 8.300 nan 0.000 0.558 388 A N -2.012 121.070 122.820 0.438 0.000 2.147 388 A HA 0.006 4.013 4.320 -0.522 0.000 0.211 388 A C 1.233 178.835 177.584 0.031 0.000 1.160 388 A CA 0.595 52.823 52.037 0.318 0.000 0.781 388 A CB -0.656 18.530 19.000 0.310 0.000 0.842 388 A HN 0.387 nan 8.150 nan 0.000 0.475 389 H N -1.321 117.802 119.070 0.088 0.000 2.575 389 H HA 0.239 4.482 4.556 -0.522 0.000 0.267 389 H C 1.868 177.277 175.328 0.135 0.000 0.966 389 H CA 0.590 56.705 56.048 0.113 0.000 1.165 389 H CB 0.386 30.169 29.762 0.035 0.000 1.433 389 H HN 0.410 nan 8.280 nan 0.000 0.544 390 G N 0.579 109.488 108.800 0.183 0.000 3.189 390 G HA2 0.033 3.680 3.960 -0.522 0.000 0.225 390 G HA3 0.033 3.680 3.960 -0.522 0.000 0.225 390 G C -1.458 173.499 174.900 0.095 0.000 1.159 390 G CA -0.244 44.891 45.100 0.057 0.000 0.763 390 G HN 0.268 nan 8.290 nan 0.000 0.549 391 P HA 0.374 nan 4.420 nan 0.000 0.290 391 P C 0.932 178.361 177.300 0.214 0.000 1.519 391 P CA -0.206 63.051 63.100 0.261 0.000 1.189 391 P CB 0.732 32.649 31.700 0.361 0.000 1.569 392 I N -1.659 118.933 120.570 0.038 0.000 3.616 392 I HA 0.043 3.900 4.170 -0.522 0.000 0.296 392 I C 2.112 178.080 176.117 -0.248 0.000 1.226 392 I CA 0.193 61.399 61.300 -0.157 0.000 1.394 392 I CB -0.187 37.563 38.000 -0.416 0.000 1.171 392 I HN -0.180 nan 8.210 nan 0.000 0.442 393 F N 2.322 122.114 119.950 -0.265 0.000 2.091 393 F HA -0.283 3.931 4.527 -0.522 0.000 0.299 393 F C 2.077 177.775 175.800 -0.169 0.000 1.103 393 F CA 1.866 59.708 58.000 -0.263 0.000 1.228 393 F CB -0.644 38.093 39.000 -0.439 0.000 0.984 393 F HN -0.110 nan 8.300 nan 0.000 0.477 394 F N 0.800 120.131 119.950 -1.031 0.000 2.250 394 F HA -0.192 4.022 4.527 -0.522 0.000 0.301 394 F C 1.919 177.401 175.800 -0.531 0.000 1.077 394 F CA 1.226 58.568 58.000 -1.097 0.000 1.348 394 F CB -0.206 38.308 39.000 -0.810 0.000 1.040 394 F HN 0.173 nan 8.300 nan 0.000 0.509 395 I N -2.326 118.153 120.570 -0.151 0.000 2.900 395 I HA 0.044 3.901 4.170 -0.522 0.000 0.251 395 I C 2.149 178.201 176.117 -0.108 0.000 1.102 395 I CA 0.287 61.513 61.300 -0.123 0.000 1.457 395 I CB -0.744 37.187 38.000 -0.116 0.000 1.285 395 I HN -0.292 nan 8.210 nan 0.000 0.459 396 R N 2.123 122.544 120.500 -0.132 0.000 2.064 396 R HA -0.014 4.013 4.340 -0.522 0.000 0.228 396 R C 0.725 176.995 176.300 -0.049 0.000 1.144 396 R CA 1.756 57.791 56.100 -0.108 0.000 0.932 396 R CB -1.206 28.992 30.300 -0.171 0.000 0.833 396 R HN 0.623 nan 8.270 nan 0.000 0.429 397 D N -1.646 118.739 120.400 -0.026 0.000 2.453 397 D HA 0.098 4.425 4.640 -0.522 0.000 0.282 397 D C -0.367 176.028 176.300 0.159 0.000 1.222 397 D CA -0.624 53.435 54.000 0.098 0.000 1.079 397 D CB 0.149 41.061 40.800 0.186 0.000 1.128 397 D HN 0.219 nan 8.370 nan 0.000 0.568 398 Y N -1.581 118.791 120.300 0.120 0.000 2.568 398 Y HA -0.144 4.092 4.550 -0.522 0.000 0.022 398 Y C -1.528 174.411 175.900 0.065 0.000 1.773 398 Y CA -0.140 58.015 58.100 0.092 0.000 1.377 398 Y CB -0.613 37.650 38.460 -0.329 0.000 2.027 398 Y HN 0.672 nan 8.280 nan 0.000 0.262 399 N N 8.169 126.450 118.700 -0.698 0.000 2.750 399 N HA 0.321 4.747 4.740 -0.522 0.000 0.253 399 N C -2.344 172.922 175.510 -0.407 0.000 1.408 399 N CA -1.467 51.354 53.050 -0.381 0.000 0.780 399 N CB 1.346 39.744 38.487 -0.149 0.000 1.191 399 N HN 0.325 nan 8.380 nan 0.000 0.511 400 P HA -0.155 nan 4.420 nan 0.000 0.216 400 P C 0.920 178.167 177.300 -0.088 0.000 1.154 400 P CA 1.418 64.418 63.100 -0.167 0.000 0.865 400 P CB 0.563 32.258 31.700 -0.009 0.000 0.789 401 E N -1.008 119.151 120.200 -0.069 0.000 2.106 401 E HA -0.199 3.838 4.350 -0.522 0.000 0.192 401 E C 2.189 178.768 176.600 -0.035 0.000 0.984 401 E CA 0.704 57.083 56.400 -0.036 0.000 0.806 401 E CB -0.208 29.478 29.700 -0.024 0.000 0.750 401 E HN 0.321 nan 8.360 nan 0.000 0.458 402 Q N 0.306 120.071 119.800 -0.059 0.000 2.172 402 Q HA -0.103 3.924 4.340 -0.522 0.000 0.200 402 Q C 1.328 177.319 176.000 -0.015 0.000 0.964 402 Q CA 1.142 56.924 55.803 -0.035 0.000 0.855 402 Q CB 0.140 28.850 28.738 -0.045 0.000 0.918 402 Q HN 0.211 nan 8.270 nan 0.000 0.444 403 N N -0.481 118.194 118.700 -0.042 0.000 2.416 403 N HA 0.086 4.512 4.740 -0.522 0.000 0.177 403 N C -0.227 175.323 175.510 0.066 0.000 1.036 403 N CA 0.169 53.236 53.050 0.029 0.000 0.901 403 N CB 0.274 38.783 38.487 0.037 0.000 0.976 403 N HN 0.134 nan 8.380 nan 0.000 0.444 404 A N 1.390 124.234 122.820 0.041 0.000 2.407 404 A HA 0.203 4.210 4.320 -0.522 0.000 0.248 404 A C 0.498 178.110 177.584 0.046 0.000 1.082 404 A CA 0.276 52.344 52.037 0.051 0.000 0.785 404 A CB 0.119 19.138 19.000 0.033 0.000 1.020 404 A HN 0.548 nan 8.150 nan 0.000 0.489 405 D N -0.575 119.854 120.400 0.048 0.000 2.911 405 D HA -0.166 4.161 4.640 -0.522 0.000 0.199 405 D C -0.348 175.971 176.300 0.033 0.000 1.041 405 D CA 1.454 55.475 54.000 0.035 0.000 1.013 405 D CB -1.952 38.862 40.800 0.023 0.000 1.093 405 D HN 0.582 nan 8.370 nan 0.000 0.431 406 N N -0.111 118.621 118.700 0.054 0.000 2.314 406 N HA 0.419 4.845 4.740 -0.522 0.000 0.294 406 N C 1.597 177.143 175.510 0.059 0.000 1.029 406 N CA -0.099 52.977 53.050 0.043 0.000 0.845 406 N CB 2.285 40.812 38.487 0.067 0.000 1.321 406 N HN 0.205 nan 8.380 nan 0.000 0.481 407 V N 2.505 122.409 119.914 -0.017 0.000 2.469 407 V HA -0.175 3.631 4.120 -0.522 0.000 0.251 407 V C 2.066 178.225 176.094 0.108 0.000 1.064 407 V CA 1.463 63.758 62.300 -0.009 0.000 1.066 407 V CB -0.891 30.849 31.823 -0.137 0.000 0.667 407 V HN 0.593 nan 8.190 nan 0.000 0.461 408 L N 1.658 122.990 121.223 0.181 0.000 2.017 408 L HA 0.278 4.305 4.340 -0.522 0.000 0.208 408 L C 1.795 178.884 176.870 0.365 0.000 1.073 408 L CA 1.610 56.643 54.840 0.323 0.000 0.745 408 L CB -1.089 41.234 42.059 0.440 0.000 0.894 408 L HN 0.489 nan 8.230 nan 0.000 0.432 409 A N -1.273 121.754 122.820 0.345 0.000 2.406 409 A HA 0.405 4.412 4.320 -0.522 0.000 0.243 409 A C 1.119 178.812 177.584 0.183 0.000 1.082 409 A CA 0.406 52.604 52.037 0.267 0.000 0.786 409 A CB 0.335 19.478 19.000 0.239 0.000 1.029 409 A HN 0.499 nan 8.150 nan 0.000 0.495 410 R N -1.692 118.899 120.500 0.151 0.000 2.808 410 R HA -0.201 3.826 4.340 -0.522 0.000 0.239 410 R C 1.252 177.728 176.300 0.293 0.000 0.762 410 R CA 2.377 58.581 56.100 0.173 0.000 1.729 410 R CB -2.136 28.233 30.300 0.115 0.000 1.223 410 R HN 0.774 nan 8.270 nan 0.000 0.569 411 M N 0.084 119.827 119.600 0.237 0.000 2.175 411 M HA 0.081 4.248 4.480 -0.522 0.000 0.264 411 M C 1.671 177.981 176.300 0.018 0.000 1.063 411 M CA 1.567 56.976 55.300 0.182 0.000 1.119 411 M CB -0.206 32.526 32.600 0.221 0.000 1.377 411 M HN 0.220 nan 8.290 nan 0.000 0.415 412 L N -0.617 120.595 121.223 -0.019 0.000 2.005 412 L HA -0.153 3.874 4.340 -0.522 0.000 0.207 412 L C 2.248 179.075 176.870 -0.071 0.000 1.072 412 L CA 1.715 56.463 54.840 -0.152 0.000 0.744 412 L CB -1.621 40.310 42.059 -0.214 0.000 0.895 412 L HN 0.235 nan 8.230 nan 0.000 0.433 413 E N -0.189 120.022 120.200 0.018 0.000 2.033 413 E HA -0.224 3.813 4.350 -0.522 0.000 0.199 413 E C 1.643 178.281 176.600 0.063 0.000 1.011 413 E CA 1.402 57.828 56.400 0.043 0.000 0.815 413 E CB -0.326 29.418 29.700 0.073 0.000 0.755 413 E HN 0.539 nan 8.360 nan 0.000 0.451 414 H N 0.476 119.541 119.070 -0.008 0.000 2.727 414 H HA 0.166 4.409 4.556 -0.522 0.000 0.312 414 H C 0.740 176.064 175.328 -0.005 0.000 1.204 414 H CA 0.320 56.364 56.048 -0.007 0.000 1.122 414 H CB -0.185 29.573 29.762 -0.006 0.000 1.453 414 H HN 0.246 nan 8.280 nan 0.000 0.514 415 K N 0.448 120.718 120.400 -0.217 0.000 2.137 415 K HA -0.070 3.937 4.320 -0.522 0.000 0.202 415 K C 1.027 177.543 176.600 -0.139 0.000 1.052 415 K CA 0.711 56.858 56.287 -0.235 0.000 0.961 415 K CB 0.210 32.608 32.500 -0.170 0.000 0.741 415 K HN 0.092 nan 8.250 nan 0.000 0.452 416 E N 1.885 122.039 120.200 -0.077 0.000 2.130 416 E HA -0.185 3.852 4.350 -0.522 0.000 0.196 416 E C 2.067 178.664 176.600 -0.004 0.000 0.998 416 E CA 1.768 58.148 56.400 -0.034 0.000 0.806 416 E CB -0.463 29.230 29.700 -0.012 0.000 0.738 416 E HN 0.506 nan 8.360 nan 0.000 0.459 417 A N 0.761 123.583 122.820 0.004 0.000 1.858 417 A HA -0.181 3.825 4.320 -0.522 0.000 0.216 417 A C 2.294 179.924 177.584 0.077 0.000 1.190 417 A CA 1.448 53.534 52.037 0.083 0.000 0.617 417 A CB -0.793 18.248 19.000 0.068 0.000 0.827 417 A HN 0.210 nan 8.150 nan 0.000 0.443 418 I N -0.279 120.258 120.570 -0.055 0.000 2.113 418 I HA -0.260 3.596 4.170 -0.522 0.000 0.242 418 I C 0.209 176.344 176.117 0.030 0.000 1.057 418 I CA 1.132 62.409 61.300 -0.039 0.000 1.314 418 I CB -0.428 37.488 38.000 -0.140 0.000 1.022 418 I HN 0.198 nan 8.210 nan 0.000 0.408 419 I N 0.898 121.469 120.570 0.000 0.000 2.311 419 I HA 0.023 3.880 4.170 -0.522 0.000 0.297 419 I C 0.585 176.720 176.117 0.031 0.000 1.131 419 I CA 0.782 62.085 61.300 0.005 0.000 1.289 419 I CB 0.185 38.168 38.000 -0.028 0.000 1.446 419 I HN 0.185 nan 8.210 nan 0.000 0.524 420 S N 1.605 117.344 115.700 0.065 0.000 7.100 420 S HA -0.108 4.049 4.470 -0.522 0.000 0.056 420 S C 1.095 175.728 174.600 0.055 0.000 1.415 420 S CA -0.510 57.721 58.200 0.052 0.000 1.147 420 S CB -0.525 62.710 63.200 0.058 0.000 1.362 420 S HN 0.622 nan 8.310 nan 0.000 0.538 421 H N 1.621 120.741 119.070 0.083 0.000 2.568 421 H HA 0.318 4.560 4.556 -0.522 0.000 0.281 421 H C 1.474 176.901 175.328 0.165 0.000 1.028 421 H CA 1.035 57.155 56.048 0.120 0.000 1.199 421 H CB -0.156 29.624 29.762 0.030 0.000 1.352 421 H HN 0.261 nan 8.280 nan 0.000 0.605 422 L N -1.049 120.281 121.223 0.178 0.000 2.347 422 L HA -0.034 3.992 4.340 -0.522 0.000 0.196 422 L C 2.370 179.232 176.870 -0.013 0.000 1.072 422 L CA 0.763 55.655 54.840 0.087 0.000 0.817 422 L CB -0.091 42.003 42.059 0.058 0.000 1.029 422 L HN 0.249 nan 8.230 nan 0.000 0.478 423 S N -0.962 114.735 115.700 -0.004 0.000 2.447 423 S HA -0.245 3.912 4.470 -0.522 0.000 0.233 423 S C 1.674 176.247 174.600 -0.044 0.000 1.006 423 S CA 0.663 58.826 58.200 -0.062 0.000 0.957 423 S CB -0.830 62.343 63.200 -0.045 0.000 0.773 423 S HN 0.581 nan 8.310 nan 0.000 0.507 424 W N 2.468 123.687 121.300 -0.135 0.000 2.436 424 W HA 0.204 4.551 4.660 -0.522 0.000 0.284 424 W C 2.283 178.741 176.519 -0.101 0.000 1.225 424 W CA 0.813 58.096 57.345 -0.104 0.000 1.271 424 W CB -0.438 28.932 29.460 -0.151 0.000 1.114 424 W HN 0.337 nan 8.180 nan 0.000 0.559 425 A N 0.276 122.865 122.820 -0.384 0.000 1.858 425 A HA -0.178 3.829 4.320 -0.522 0.000 0.216 425 A C 2.101 179.278 177.584 -0.680 0.000 1.190 425 A CA 2.286 53.839 52.037 -0.806 0.000 0.617 425 A CB -1.299 17.217 19.000 -0.807 0.000 0.827 425 A HN 0.275 nan 8.150 nan 0.000 0.443 426 S N -0.068 115.330 115.700 -0.502 0.000 2.363 426 S HA -0.180 3.977 4.470 -0.522 0.000 0.218 426 S C 1.825 176.198 174.600 -0.378 0.000 1.035 426 S CA 1.720 59.694 58.200 -0.377 0.000 1.043 426 S CB -0.631 62.370 63.200 -0.332 0.000 0.986 426 S HN 0.356 nan 8.310 nan 0.000 0.423 427 L N 0.614 121.597 121.223 -0.400 0.000 2.089 427 L HA -0.154 3.873 4.340 -0.522 0.000 0.213 427 L C 1.989 178.498 176.870 -0.603 0.000 1.079 427 L CA 1.712 56.213 54.840 -0.564 0.000 0.758 427 L CB -0.748 41.140 42.059 -0.285 0.000 0.891 427 L HN 0.325 nan 8.230 nan 0.000 0.433 428 F N -0.612 119.010 119.950 -0.546 0.000 2.039 428 F HA -0.224 3.990 4.527 -0.522 0.000 0.294 428 F C 2.248 177.920 175.800 -0.214 0.000 1.130 428 F CA 1.284 59.089 58.000 -0.325 0.000 1.189 428 F CB -0.108 38.475 39.000 -0.695 0.000 0.983 428 F HN -0.144 nan 8.300 nan 0.000 0.471 429 L N 0.500 121.778 121.223 0.093 0.000 2.351 429 L HA -0.189 3.838 4.340 -0.522 0.000 0.220 429 L C 2.225 179.090 176.870 -0.008 0.000 1.127 429 L CA 0.903 55.767 54.840 0.039 0.000 0.786 429 L CB -1.559 40.426 42.059 -0.124 0.000 0.914 429 L HN 0.441 nan 8.230 nan 0.000 0.443 430 G N 0.148 108.831 108.800 -0.194 0.000 2.622 430 G HA2 -0.194 3.453 3.960 -0.522 0.000 0.206 430 G HA3 -0.194 3.453 3.960 -0.522 0.000 0.206 430 G C 0.911 175.692 174.900 -0.200 0.000 1.458 430 G CA 0.218 45.144 45.100 -0.289 0.000 0.919 430 G HN 0.172 nan 8.290 nan 0.000 0.508 431 F N 0.725 120.615 119.950 -0.100 0.000 2.271 431 F HA -0.059 4.155 4.527 -0.522 0.000 0.302 431 F C 2.545 178.221 175.800 -0.207 0.000 1.063 431 F CA 1.177 59.066 58.000 -0.185 0.000 1.362 431 F CB -0.700 38.107 39.000 -0.321 0.000 1.060 431 F HN 0.207 nan 8.300 nan 0.000 0.521 432 H N -0.915 118.207 119.070 0.087 0.000 2.448 432 H HA 0.023 4.266 4.556 -0.522 0.000 0.292 432 H C 2.203 177.592 175.328 0.103 0.000 1.035 432 H CA 1.694 57.774 56.048 0.053 0.000 1.349 432 H CB -0.538 29.201 29.762 -0.038 0.000 1.425 432 H HN 0.207 nan 8.280 nan 0.000 0.539 433 T N 1.719 116.403 114.554 0.217 0.000 2.777 433 T HA -0.098 3.939 4.350 -0.522 0.000 0.266 433 T C 2.062 176.869 174.700 0.179 0.000 1.040 433 T CA 0.612 62.819 62.100 0.179 0.000 1.141 433 T CB -0.287 68.672 68.868 0.152 0.000 0.868 433 T HN 0.052 nan 8.240 nan 0.000 0.444 434 L N 1.418 122.733 121.223 0.153 0.000 2.376 434 L HA 0.251 4.277 4.340 -0.522 0.000 0.219 434 L C 2.309 179.266 176.870 0.145 0.000 1.133 434 L CA 1.084 56.015 54.840 0.152 0.000 0.816 434 L CB -1.070 41.065 42.059 0.127 0.000 0.933 434 L HN 0.264 nan 8.230 nan 0.000 0.449 435 G N -0.476 108.400 108.800 0.126 0.000 2.414 435 G HA2 -0.139 3.508 3.960 -0.522 0.000 0.215 435 G HA3 -0.139 3.508 3.960 -0.522 0.000 0.215 435 G C 0.546 175.523 174.900 0.129 0.000 1.188 435 G CA 0.073 45.241 45.100 0.113 0.000 0.783 435 G HN 0.230 nan 8.290 nan 0.000 0.537 436 L N 0.315 121.595 121.223 0.094 0.000 2.401 436 L HA 0.469 4.496 4.340 -0.522 0.000 0.283 436 L C 0.055 176.953 176.870 0.047 0.000 1.151 436 L CA 0.186 55.036 54.840 0.016 0.000 0.942 436 L CB 0.002 42.036 42.059 -0.042 0.000 1.283 436 L HN 0.303 nan 8.230 nan 0.000 0.442 437 Y N -0.184 120.183 120.300 0.111 0.000 2.937 437 Y HA -0.220 4.017 4.550 -0.522 0.000 0.390 437 Y C 1.224 177.188 175.900 0.106 0.000 1.318 437 Y CA 0.564 58.730 58.100 0.109 0.000 1.267 437 Y CB -0.659 37.826 38.460 0.042 0.000 1.108 437 Y HN 0.142 nan 8.280 nan 0.000 0.435 438 V N -0.273 119.794 119.914 0.255 0.000 2.300 438 V HA -0.054 3.753 4.120 -0.522 0.000 0.241 438 V C 1.918 178.104 176.094 0.154 0.000 1.034 438 V CA 2.735 65.124 62.300 0.149 0.000 1.021 438 V CB -0.869 31.003 31.823 0.082 0.000 0.662 438 V HN 0.562 nan 8.190 nan 0.000 0.458 439 H N 0.872 119.979 119.070 0.062 0.000 2.325 439 H HA -0.267 3.976 4.556 -0.522 0.000 0.293 439 H C 2.367 177.722 175.328 0.044 0.000 1.106 439 H CA 2.564 58.633 56.048 0.036 0.000 1.247 439 H CB -0.230 29.553 29.762 0.034 0.000 1.359 439 H HN 0.521 nan 8.280 nan 0.000 0.488 440 N N -0.108 118.799 118.700 0.346 0.000 2.289 440 N HA -0.152 4.275 4.740 -0.522 0.000 0.184 440 N C 1.099 176.757 175.510 0.246 0.000 1.016 440 N CA 1.677 54.885 53.050 0.263 0.000 0.872 440 N CB -0.158 38.475 38.487 0.244 0.000 0.973 440 N HN 0.546 nan 8.380 nan 0.000 0.433 441 D N -1.067 119.480 120.400 0.245 0.000 2.366 441 D HA 0.050 4.376 4.640 -0.522 0.000 0.205 441 D C 1.874 178.174 176.300 0.001 0.000 1.022 441 D CA 0.078 54.199 54.000 0.201 0.000 0.868 441 D CB 0.600 41.502 40.800 0.170 0.000 0.953 441 D HN -0.038 nan 8.370 nan 0.000 0.514 442 V N 0.272 120.123 119.914 -0.106 0.000 2.453 442 V HA -0.174 3.633 4.120 -0.522 0.000 0.247 442 V C 2.281 178.157 176.094 -0.364 0.000 1.048 442 V CA 0.978 63.063 62.300 -0.358 0.000 1.049 442 V CB -0.470 31.131 31.823 -0.370 0.000 0.672 442 V HN 0.168 nan 8.190 nan 0.000 0.457 443 M N -0.197 119.311 119.600 -0.154 0.000 2.126 443 M HA -0.019 4.148 4.480 -0.522 0.000 0.259 443 M C 0.859 177.196 176.300 0.062 0.000 1.073 443 M CA 1.417 56.702 55.300 -0.025 0.000 1.103 443 M CB -0.724 31.872 32.600 -0.008 0.000 1.284 443 M HN 0.077 nan 8.290 nan 0.000 0.420 444 L N 0.281 121.534 121.223 0.050 0.000 2.514 444 L HA 0.086 4.113 4.340 -0.522 0.000 0.280 444 L C 1.339 178.271 176.870 0.103 0.000 1.223 444 L CA 1.014 55.907 54.840 0.088 0.000 0.864 444 L CB -0.706 41.434 42.059 0.135 0.000 1.118 444 L HN 0.671 nan 8.230 nan 0.000 0.494 445 A N 2.949 125.849 122.820 0.135 0.000 3.553 445 A HA -0.251 3.756 4.320 -0.522 0.000 0.261 445 A C 1.297 179.048 177.584 0.278 0.000 1.096 445 A CA 0.986 53.106 52.037 0.138 0.000 1.308 445 A CB -1.972 17.076 19.000 0.081 0.000 1.084 445 A HN 0.552 nan 8.150 nan 0.000 0.914 446 F N -0.216 119.740 119.950 0.010 0.000 2.558 446 F HA 0.331 4.545 4.527 -0.522 0.000 0.298 446 F C 2.273 178.069 175.800 -0.006 0.000 1.119 446 F CA 1.308 59.304 58.000 -0.006 0.000 1.451 446 F CB -0.731 38.256 39.000 -0.022 0.000 1.091 446 F HN 1.261 nan 8.300 nan 0.000 0.563 447 G N 0.159 109.063 108.800 0.173 0.000 2.168 447 G HA2 -0.299 3.348 3.960 -0.522 0.000 0.263 447 G HA3 -0.299 3.348 3.960 -0.522 0.000 0.263 447 G C 0.593 175.526 174.900 0.056 0.000 0.977 447 G CA 0.739 45.889 45.100 0.085 0.000 0.659 447 G HN 0.559 nan 8.290 nan 0.000 0.533 448 T N -0.323 114.277 114.554 0.077 0.000 2.781 448 T HA 0.641 4.677 4.350 -0.522 0.000 0.305 448 T C -0.691 174.033 174.700 0.040 0.000 1.001 448 T CA -1.237 60.889 62.100 0.044 0.000 0.950 448 T CB 1.925 70.819 68.868 0.043 0.000 0.955 448 T HN -0.030 nan 8.240 nan 0.000 0.471 449 P HA 0.015 nan 4.420 nan 0.000 0.217 449 P C 0.560 177.843 177.300 -0.027 0.000 1.151 449 P CA 0.470 63.554 63.100 -0.025 0.000 0.828 449 P CB 0.135 31.813 31.700 -0.038 0.000 0.788 450 E N 0.543 120.734 120.200 -0.015 0.000 2.438 450 E HA -0.114 3.923 4.350 -0.522 0.000 0.261 450 E C 0.461 177.068 176.600 0.010 0.000 1.103 450 E CA 0.198 56.592 56.400 -0.010 0.000 0.959 450 E CB 0.046 29.742 29.700 -0.007 0.000 0.958 450 E HN -0.120 nan 8.360 nan 0.000 0.447 451 K N 1.020 121.431 120.400 0.019 0.000 3.500 451 K HA -0.255 3.752 4.320 -0.522 0.000 0.313 451 K C -0.233 176.429 176.600 0.103 0.000 1.338 451 K CA 1.053 57.374 56.287 0.056 0.000 0.963 451 K CB -0.980 31.549 32.500 0.048 0.000 1.267 451 K HN 0.767 nan 8.250 nan 0.000 0.448 452 Q N 1.095 120.930 119.800 0.057 0.000 2.364 452 Q HA 0.312 4.339 4.340 -0.522 0.000 0.267 452 Q C -0.160 175.867 176.000 0.046 0.000 0.999 452 Q CA 0.076 55.921 55.803 0.070 0.000 0.886 452 Q CB 0.674 29.398 28.738 -0.023 0.000 1.243 452 Q HN 0.375 nan 8.270 nan 0.000 0.415 453 I N 5.945 126.526 120.570 0.019 0.000 2.307 453 I HA 0.307 4.164 4.170 -0.522 0.000 0.289 453 I C -1.660 174.356 176.117 -0.168 0.000 1.021 453 I CA -1.052 60.160 61.300 -0.146 0.000 1.224 453 I CB 0.433 38.207 38.000 -0.378 0.000 1.376 453 I HN 0.632 nan 8.210 nan 0.000 0.470 454 L N 7.573 128.690 121.223 -0.178 0.000 2.408 454 L HA 0.680 4.707 4.340 -0.522 0.000 0.268 454 L C -1.218 175.472 176.870 -0.299 0.000 0.986 454 L CA -0.662 54.045 54.840 -0.221 0.000 0.820 454 L CB 1.569 43.530 42.059 -0.163 0.000 1.303 454 L HN 0.246 nan 8.230 nan 0.000 0.411 455 I N 0.905 121.188 120.570 -0.478 0.000 2.392 455 I HA 0.653 4.510 4.170 -0.522 0.000 0.295 455 I C 0.555 176.377 176.117 -0.490 0.000 0.985 455 I CA -0.453 60.458 61.300 -0.648 0.000 1.221 455 I CB 1.338 38.480 38.000 -1.430 0.000 1.366 455 I HN 0.982 nan 8.210 nan 0.000 0.467 456 E N 7.454 127.460 120.200 -0.323 0.000 2.174 456 E HA 0.574 4.611 4.350 -0.522 0.000 0.282 456 E C -2.688 173.801 176.600 -0.185 0.000 0.992 456 E CA -1.781 54.507 56.400 -0.186 0.000 0.803 456 E CB 1.048 30.672 29.700 -0.126 0.000 1.090 456 E HN 0.473 nan 8.360 nan 0.000 0.396 457 P HA 0.377 nan 4.420 nan 0.000 0.295 457 P C 0.499 177.785 177.300 -0.024 0.000 1.397 457 P CA -0.636 62.527 63.100 0.106 0.000 0.903 457 P CB 0.944 32.941 31.700 0.495 0.000 1.028 458 I N 2.056 122.440 120.570 -0.311 0.000 2.127 458 I HA -0.233 3.624 4.170 -0.522 0.000 0.241 458 I C 1.845 177.906 176.117 -0.092 0.000 1.075 458 I CA 1.652 62.773 61.300 -0.298 0.000 1.334 458 I CB -1.557 36.113 38.000 -0.550 0.000 1.040 458 I HN 0.172 nan 8.210 nan 0.000 0.405 459 F N 1.398 121.425 119.950 0.129 0.000 2.216 459 F HA -0.138 4.076 4.527 -0.522 0.000 0.300 459 F C 2.625 178.561 175.800 0.226 0.000 1.085 459 F CA 1.212 59.292 58.000 0.134 0.000 1.326 459 F CB -1.141 37.916 39.000 0.095 0.000 1.027 459 F HN 0.033 nan 8.300 nan 0.000 0.497 460 A N 0.059 123.067 122.820 0.313 0.000 1.858 460 A HA -0.232 3.774 4.320 -0.522 0.000 0.216 460 A C 2.173 179.906 177.584 0.248 0.000 1.190 460 A CA 1.630 53.817 52.037 0.251 0.000 0.617 460 A CB -0.923 18.160 19.000 0.138 0.000 0.827 460 A HN 0.436 nan 8.150 nan 0.000 0.443 461 Q N -1.992 117.918 119.800 0.184 0.000 2.152 461 Q HA -0.274 3.753 4.340 -0.522 0.000 0.206 461 Q C 1.909 178.016 176.000 0.179 0.000 0.985 461 Q CA 1.822 57.710 55.803 0.141 0.000 0.863 461 Q CB -0.309 28.472 28.738 0.073 0.000 0.904 461 Q HN 0.864 nan 8.270 nan 0.000 0.422 462 W N 1.668 122.985 121.300 0.029 0.000 2.353 462 W HA -0.081 4.266 4.660 -0.521 0.000 0.319 462 W C 0.430 176.982 176.519 0.055 0.000 1.207 462 W CA 0.735 58.099 57.345 0.032 0.000 1.291 462 W CB -0.182 29.322 29.460 0.073 0.000 1.159 462 W HN -0.093 nan 8.180 nan 0.000 0.478 463 I N 2.283 123.024 120.570 0.285 0.000 2.775 463 I HA -0.189 3.667 4.170 -0.522 0.000 0.290 463 I C 1.548 177.743 176.117 0.130 0.000 1.203 463 I CA 1.782 63.138 61.300 0.094 0.000 1.433 463 I CB 0.334 38.515 38.000 0.302 0.000 1.354 463 I HN 0.493 nan 8.210 nan 0.000 0.579 464 Q N 2.258 122.098 119.800 0.066 0.000 2.371 464 Q HA -0.222 3.805 4.340 -0.522 0.000 0.169 464 Q C 0.534 176.519 176.000 -0.024 0.000 0.577 464 Q CA 1.324 57.251 55.803 0.207 0.000 1.340 464 Q CB -1.680 27.250 28.738 0.320 0.000 1.201 464 Q HN 0.621 nan 8.270 nan 0.000 0.984 465 S N 0.229 115.839 115.700 -0.151 0.000 2.357 465 S HA 0.142 4.299 4.470 -0.522 0.000 0.221 465 S C 1.997 176.433 174.600 -0.275 0.000 1.031 465 S CA 1.193 59.281 58.200 -0.187 0.000 0.982 465 S CB -0.282 62.802 63.200 -0.192 0.000 0.853 465 S HN 0.670 nan 8.310 nan 0.000 0.458 466 A N 1.960 124.482 122.820 -0.498 0.000 1.873 466 A HA -0.232 3.775 4.320 -0.522 0.000 0.218 466 A C 1.734 179.091 177.584 -0.378 0.000 1.193 466 A CA 2.172 53.898 52.037 -0.517 0.000 0.629 466 A CB -1.117 17.443 19.000 -0.733 0.000 0.826 466 A HN 0.712 nan 8.150 nan 0.000 0.447 467 H N -1.497 117.522 119.070 -0.084 0.000 2.307 467 H HA 0.356 4.599 4.556 -0.522 0.000 0.303 467 H C 1.720 176.978 175.328 -0.116 0.000 1.073 467 H CA 0.644 56.645 56.048 -0.078 0.000 1.338 467 H CB -0.270 29.450 29.762 -0.069 0.000 1.389 467 H HN 0.834 nan 8.280 nan 0.000 0.503 468 G N -0.005 108.774 108.800 -0.035 0.000 2.578 468 G HA2 -0.172 3.475 3.960 -0.522 0.000 0.232 468 G HA3 -0.172 3.475 3.960 -0.522 0.000 0.232 468 G C -0.967 173.845 174.900 -0.147 0.000 1.176 468 G CA -0.242 44.812 45.100 -0.078 0.000 0.968 468 G HN 0.284 nan 8.290 nan 0.000 0.583 469 K N 1.041 121.367 120.400 -0.122 0.000 2.541 469 K HA 0.814 4.821 4.320 -0.522 0.000 0.250 469 K C -0.978 175.569 176.600 -0.089 0.000 0.950 469 K CA 0.057 56.289 56.287 -0.091 0.000 0.805 469 K CB 1.559 34.029 32.500 -0.050 0.000 1.166 469 K HN 1.153 nan 8.250 nan 0.000 0.430 470 T N 1.121 115.603 114.554 -0.120 0.000 3.792 470 T HA 0.164 4.201 4.350 -0.522 0.000 0.438 470 T C -1.371 173.213 174.700 -0.194 0.000 1.442 470 T CA -0.991 61.037 62.100 -0.119 0.000 1.117 470 T CB 0.859 69.686 68.868 -0.069 0.000 1.411 470 T HN 0.511 nan 8.240 nan 0.000 0.453 471 T N 1.556 115.940 114.554 -0.284 0.000 3.060 471 T HA 0.492 4.529 4.350 -0.522 0.000 0.367 471 T C 0.089 174.463 174.700 -0.544 0.000 1.229 471 T CA -0.951 60.751 62.100 -0.663 0.000 1.104 471 T CB -0.382 67.903 68.868 -0.971 0.000 1.083 471 T HN 1.527 nan 8.240 nan 0.000 0.524 472 Y N 0.561 120.865 120.300 0.006 0.000 3.078 472 Y HA -0.100 4.137 4.550 -0.521 0.000 0.202 472 Y C 0.682 176.612 175.900 0.049 0.000 1.322 472 Y CA 0.036 58.149 58.100 0.022 0.000 1.118 472 Y CB -2.701 35.767 38.460 0.014 0.000 1.343 472 Y HN 1.819 nan 8.280 nan 0.000 0.499 473 G N -0.048 108.886 108.800 0.223 0.000 2.566 473 G HA2 0.088 3.735 3.960 -0.522 0.000 0.280 473 G HA3 0.088 3.735 3.960 -0.522 0.000 0.280 473 G C -0.105 175.000 174.900 0.342 0.000 1.225 473 G CA 0.815 46.046 45.100 0.218 0.000 0.966 473 G HN 1.864 nan 8.290 nan 0.000 0.560 474 F N -1.764 118.237 119.950 0.085 0.000 2.183 474 F HA -0.084 4.130 4.527 -0.522 0.000 0.318 474 F C 0.832 176.658 175.800 0.043 0.000 1.259 474 F CA 0.532 58.569 58.000 0.061 0.000 0.912 474 F CB -0.999 38.046 39.000 0.074 0.000 4.135 474 F HN 0.601 nan 8.300 nan 0.000 0.137 475 D N 2.429 122.777 120.400 -0.087 0.000 2.183 475 D HA 0.120 4.447 4.640 -0.522 0.000 0.205 475 D C 0.998 177.237 176.300 -0.100 0.000 0.962 475 D CA 1.705 55.651 54.000 -0.090 0.000 0.849 475 D CB 0.113 40.831 40.800 -0.136 0.000 0.978 475 D HN 0.603 nan 8.370 nan 0.000 0.488 476 I N 0.866 121.189 120.570 -0.412 0.000 8.240 476 I HA -0.199 3.658 4.170 -0.522 0.000 0.126 476 I C -2.480 173.590 176.117 -0.079 0.000 1.791 476 I CA -0.566 60.636 61.300 -0.163 0.000 2.143 476 I CB 0.134 38.288 38.000 0.257 0.000 3.682 476 I HN -0.099 nan 8.210 nan 0.000 0.201 477 P HA 0.049 nan 4.420 nan 0.000 0.258 477 P C 0.524 177.828 177.300 0.006 0.000 1.187 477 P CA 0.544 63.616 63.100 -0.046 0.000 0.767 477 P CB 0.535 32.216 31.700 -0.032 0.000 0.770 478 L N 3.009 124.230 121.223 -0.003 0.000 4.089 478 L HA -0.319 3.708 4.340 -0.522 0.000 0.408 478 L C 0.890 177.767 176.870 0.011 0.000 1.184 478 L CA 1.073 55.918 54.840 0.008 0.000 0.947 478 L CB -1.590 40.481 42.059 0.020 0.000 2.066 478 L HN 0.472 nan 8.230 nan 0.000 0.851 479 S N -2.785 112.918 115.700 0.006 0.000 2.811 479 S HA 0.243 4.400 4.470 -0.522 0.000 0.237 479 S C 1.163 175.759 174.600 -0.006 0.000 1.038 479 S CA 0.786 58.984 58.200 -0.004 0.000 0.881 479 S CB 1.075 64.270 63.200 -0.009 0.000 0.815 479 S HN 1.595 nan 8.310 nan 0.000 0.582 480 S N -0.159 115.534 115.700 -0.011 0.000 2.541 480 S HA -0.239 3.918 4.470 -0.522 0.000 0.262 480 S C 0.888 175.488 174.600 0.001 0.000 1.321 480 S CA 1.858 60.045 58.200 -0.022 0.000 1.243 480 S CB -2.535 60.651 63.200 -0.023 0.000 1.531 480 S HN 1.892 nan 8.310 nan 0.000 0.656 481 T N -0.989 113.576 114.554 0.019 0.000 7.679 481 T HA -0.270 3.766 4.350 -0.522 0.000 0.300 481 T C -0.200 174.511 174.700 0.018 0.000 2.098 481 T CA 2.927 65.045 62.100 0.030 0.000 3.313 481 T CB -1.853 67.044 68.868 0.049 0.000 1.898 481 T HN 1.739 nan 8.240 nan 0.000 1.144 482 N N -2.182 116.524 118.700 0.010 0.000 3.413 482 N HA 0.560 4.986 4.740 -0.522 0.000 0.273 482 N C 0.494 176.006 175.510 0.003 0.000 1.458 482 N CA 0.967 54.021 53.050 0.007 0.000 0.860 482 N CB 0.447 38.939 38.487 0.010 0.000 1.556 482 N HN 0.805 nan 8.380 nan 0.000 0.475 483 G N -0.436 108.366 108.800 0.002 0.000 3.532 483 G HA2 -0.051 3.596 3.960 -0.522 0.000 0.196 483 G HA3 -0.051 3.596 3.960 -0.522 0.000 0.196 483 G C -2.354 172.547 174.900 0.001 0.000 2.074 483 G CA -0.000 45.100 45.100 0.001 0.000 1.323 483 G HN 0.699 nan 8.290 nan 0.000 0.439 484 P HA 0.659 nan 4.420 nan 0.000 0.273 484 P C 0.350 177.648 177.300 -0.003 0.000 1.428 484 P CA 0.712 63.811 63.100 -0.002 0.000 0.995 484 P CB 0.814 32.513 31.700 -0.003 0.000 1.286 485 A N 3.179 125.999 122.820 -0.001 0.000 2.296 485 A HA 0.290 4.297 4.320 -0.522 0.000 0.276 485 A C 1.432 179.011 177.584 -0.008 0.000 1.356 485 A CA -0.108 51.928 52.037 -0.002 0.000 0.825 485 A CB -0.275 18.727 19.000 0.004 0.000 1.308 485 A HN 0.518 nan 8.150 nan 0.000 0.515 486 L N -2.203 119.014 121.223 -0.011 0.000 2.179 486 L HA 0.074 4.101 4.340 -0.522 0.000 0.208 486 L C 1.360 178.220 176.870 -0.016 0.000 1.096 486 L CA 2.262 57.090 54.840 -0.020 0.000 0.779 486 L CB -1.121 40.919 42.059 -0.031 0.000 0.922 486 L HN 0.956 nan 8.230 nan 0.000 0.443 487 N N -0.109 118.587 118.700 -0.008 0.000 1.961 487 N HA -0.413 4.013 4.740 -0.522 0.000 0.215 487 N C 1.351 176.856 175.510 -0.007 0.000 0.579 487 N CA 3.138 56.185 53.050 -0.004 0.000 4.210 487 N CB -1.863 36.621 38.487 -0.004 0.000 0.734 487 N HN 0.595 nan 8.380 nan 0.000 0.239 488 A N 0.271 123.081 122.820 -0.017 0.000 1.902 488 A HA 0.395 4.402 4.320 -0.522 0.000 0.217 488 A C 1.332 178.898 177.584 -0.029 0.000 1.181 488 A CA 2.032 54.055 52.037 -0.023 0.000 0.623 488 A CB -0.961 18.018 19.000 -0.035 0.000 0.818 488 A HN 1.082 nan 8.150 nan 0.000 0.443 489 G N -3.079 105.696 108.800 -0.040 0.000 2.533 489 G HA2 0.599 4.245 3.960 -0.522 0.000 0.304 489 G HA3 0.599 4.245 3.960 -0.522 0.000 0.304 489 G C -0.238 174.659 174.900 -0.006 0.000 1.263 489 G CA -0.404 44.671 45.100 -0.042 0.000 0.964 489 G HN 0.191 nan 8.290 nan 0.000 0.479 490 R N -0.862 119.655 120.500 0.028 0.000 3.520 490 R HA 0.096 4.122 4.340 -0.522 0.000 0.097 490 R C 1.438 177.789 176.300 0.084 0.000 0.580 490 R CA -0.368 55.761 56.100 0.048 0.000 0.331 490 R CB -0.780 29.542 30.300 0.037 0.000 1.019 490 R HN 0.448 nan 8.270 nan 0.000 0.320 491 N N 1.392 120.140 118.700 0.080 0.000 2.166 491 N HA -0.011 4.416 4.740 -0.522 0.000 0.186 491 N C 0.647 176.231 175.510 0.122 0.000 1.019 491 N CA 1.380 54.482 53.050 0.087 0.000 0.856 491 N CB -0.491 38.035 38.487 0.066 0.000 0.993 491 N HN 0.353 nan 8.380 nan 0.000 0.426 492 I N -3.068 117.590 120.570 0.146 0.000 2.696 492 I HA 0.071 3.928 4.170 -0.522 0.000 0.284 492 I C 0.657 176.986 176.117 0.354 0.000 1.129 492 I CA -0.748 60.679 61.300 0.212 0.000 1.410 492 I CB 0.252 38.382 38.000 0.217 0.000 1.399 492 I HN 0.192 nan 8.210 nan 0.000 0.579 493 W N 1.766 123.110 121.300 0.074 0.000 2.293 493 W HA -0.304 4.045 4.660 -0.517 0.000 0.285 493 W C 0.144 176.720 176.519 0.094 0.000 1.834 493 W CA 1.059 58.449 57.345 0.075 0.000 1.977 493 W CB -1.411 28.082 29.460 0.055 0.000 0.939 493 W HN 0.747 nan 8.180 nan 0.000 0.450 494 L N 1.633 123.139 121.223 0.472 0.000 2.513 494 L HA 0.414 4.440 4.340 -0.522 0.000 0.272 494 L C -2.261 174.749 176.870 0.232 0.000 1.187 494 L CA -0.336 54.686 54.840 0.302 0.000 0.895 494 L CB -0.427 41.773 42.059 0.236 0.000 1.147 494 L HN -0.019 nan 8.230 nan 0.000 0.483 495 P HA 0.388 nan 4.420 nan 0.000 0.282 495 P C 0.884 178.248 177.300 0.106 0.000 1.273 495 P CA 0.196 63.384 63.100 0.147 0.000 0.768 495 P CB 0.353 32.137 31.700 0.140 0.000 1.989 496 G N -1.436 107.390 108.800 0.043 0.000 2.422 496 G HA2 -0.125 3.522 3.960 -0.522 0.000 0.218 496 G HA3 -0.125 3.522 3.960 -0.522 0.000 0.218 496 G C 0.067 174.945 174.900 -0.036 0.000 1.140 496 G CA 0.294 45.387 45.100 -0.012 0.000 0.775 496 G HN 0.175 nan 8.290 nan 0.000 0.545 497 W N -0.051 121.155 121.300 -0.157 0.000 2.158 497 W HA 0.367 4.711 4.660 -0.527 0.000 0.339 497 W C 1.058 177.519 176.519 -0.096 0.000 1.294 497 W CA -0.572 56.594 57.345 -0.298 0.000 1.231 497 W CB 0.190 29.519 29.460 -0.219 0.000 1.143 497 W HN 0.132 nan 8.180 nan 0.000 0.571 498 L N 3.435 124.862 121.223 0.340 0.000 3.843 498 L HA -0.349 3.678 4.340 -0.522 0.000 0.411 498 L C -0.668 176.337 176.870 0.226 0.000 1.205 498 L CA 0.710 55.701 54.840 0.253 0.000 0.945 498 L CB -1.000 41.145 42.059 0.143 0.000 1.929 498 L HN 0.466 nan 8.230 nan 0.000 0.934 499 N N -0.177 118.742 118.700 0.365 0.000 2.752 499 N HA 0.451 4.878 4.740 -0.522 0.000 0.260 499 N C 0.829 176.701 175.510 0.602 0.000 1.562 499 N CA 0.458 53.697 53.050 0.315 0.000 0.788 499 N CB 1.464 40.054 38.487 0.172 0.000 1.192 499 N HN 0.326 nan 8.380 nan 0.000 0.503 500 A N 1.359 124.363 122.820 0.307 0.000 1.968 500 A HA 0.079 4.086 4.320 -0.522 0.000 0.217 500 A C 1.227 178.702 177.584 -0.181 0.000 1.169 500 A CA 1.197 52.974 52.037 -0.433 0.000 0.638 500 A CB -0.562 17.968 19.000 -0.784 0.000 0.812 500 A HN 0.755 nan 8.150 nan 0.000 0.446 501 I N -4.121 116.377 120.570 -0.120 0.000 5.636 501 I HA -0.483 3.374 4.170 -0.522 0.000 0.161 501 I C 1.155 177.176 176.117 -0.159 0.000 1.752 501 I CA 1.161 62.380 61.300 -0.136 0.000 1.037 501 I CB -1.487 36.456 38.000 -0.095 0.000 2.127 501 I HN 0.310 nan 8.210 nan 0.000 0.349 502 N N 1.939 120.551 118.700 -0.147 0.000 2.084 502 N HA -0.257 4.170 4.740 -0.522 0.000 0.190 502 N C 1.100 176.529 175.510 -0.136 0.000 1.030 502 N CA 2.296 55.258 53.050 -0.146 0.000 0.849 502 N CB -0.301 38.078 38.487 -0.179 0.000 1.012 502 N HN 0.772 nan 8.380 nan 0.000 0.423 503 E N 0.760 120.878 120.200 -0.138 0.000 2.269 503 E HA -0.234 3.802 4.350 -0.522 0.000 0.223 503 E C -0.990 175.530 176.600 -0.133 0.000 1.244 503 E CA 0.357 56.669 56.400 -0.147 0.000 0.713 503 E CB -1.803 27.768 29.700 -0.215 0.000 1.178 503 E HN 0.614 nan 8.360 nan 0.000 0.370 504 N N 0.776 119.408 118.700 -0.114 0.000 2.414 504 N HA -0.026 4.401 4.740 -0.522 0.000 0.268 504 N C 0.354 175.812 175.510 -0.086 0.000 1.286 504 N CA 0.924 53.904 53.050 -0.115 0.000 0.896 504 N CB 1.434 39.863 38.487 -0.096 0.000 1.093 504 N HN 0.432 nan 8.380 nan 0.000 0.480 505 S N 0.672 116.326 115.700 -0.077 0.000 1.687 505 S HA -0.069 4.088 4.470 -0.522 0.000 0.152 505 S C -0.479 174.141 174.600 0.034 0.000 0.619 505 S CA 0.105 58.307 58.200 0.004 0.000 1.520 505 S CB -0.745 62.459 63.200 0.006 0.000 0.855 505 S HN 0.890 nan 8.310 nan 0.000 0.296 506 N N 0.722 119.394 118.700 -0.046 0.000 3.719 506 N HA 0.139 4.566 4.740 -0.522 0.000 0.126 506 N C -0.231 175.191 175.510 -0.146 0.000 1.099 506 N CA 0.442 53.472 53.050 -0.034 0.000 2.167 506 N CB -0.267 38.244 38.487 0.041 0.000 1.595 506 N HN 0.119 nan 8.380 nan 0.000 0.734 507 S N 0.615 116.220 115.700 -0.158 0.000 2.428 507 S HA 0.179 4.336 4.470 -0.522 0.000 0.230 507 S C 1.460 176.006 174.600 -0.089 0.000 1.014 507 S CA 1.130 59.216 58.200 -0.190 0.000 0.957 507 S CB -0.227 62.886 63.200 -0.144 0.000 0.784 507 S HN 0.551 nan 8.310 nan 0.000 0.499 508 L N -2.737 118.499 121.223 0.022 0.000 2.993 508 L HA -0.271 3.756 4.340 -0.522 0.000 0.419 508 L C -0.238 176.766 176.870 0.223 0.000 3.281 508 L CA 1.275 56.228 54.840 0.187 0.000 2.356 508 L CB -1.113 41.293 42.059 0.578 0.000 2.614 508 L HN 0.284 nan 8.230 nan 0.000 0.822 509 F N 2.111 122.005 119.950 -0.093 0.000 2.426 509 F HA 0.605 4.818 4.527 -0.523 0.000 0.348 509 F C 0.195 175.943 175.800 -0.087 0.000 1.124 509 F CA -1.241 56.726 58.000 -0.056 0.000 1.008 509 F CB 1.422 40.417 39.000 -0.008 0.000 1.139 509 F HN -0.069 nan 8.300 nan 0.000 0.452 510 L N 0.238 121.489 121.223 0.046 0.000 2.334 510 L HA 0.616 4.643 4.340 -0.522 0.000 0.272 510 L C 0.777 177.648 176.870 0.001 0.000 1.020 510 L CA -0.543 54.266 54.840 -0.051 0.000 0.812 510 L CB 1.110 43.050 42.059 -0.198 0.000 1.264 510 L HN 0.574 nan 8.230 nan 0.000 0.439 511 T N -0.802 113.739 114.554 -0.022 0.000 3.366 511 T HA 0.343 4.380 4.350 -0.522 0.000 0.249 511 T C 0.573 175.304 174.700 0.052 0.000 1.028 511 T CA -0.132 61.975 62.100 0.013 0.000 0.938 511 T CB -1.780 67.073 68.868 -0.025 0.000 1.046 511 T HN 0.742 nan 8.240 nan 0.000 0.587 512 I N -1.367 119.252 120.570 0.082 0.000 2.805 512 I HA -0.067 3.790 4.170 -0.522 0.000 0.126 512 I C 0.349 176.527 176.117 0.101 0.000 0.890 512 I CA 0.485 61.857 61.300 0.121 0.000 2.783 512 I CB -1.381 36.687 38.000 0.113 0.000 0.622 512 I HN 0.458 nan 8.210 nan 0.000 0.351 513 G N 3.988 112.860 108.800 0.120 0.000 2.788 513 G HA2 0.686 4.333 3.960 -0.522 0.000 0.293 513 G HA3 0.686 4.333 3.960 -0.522 0.000 0.293 513 G C -2.489 172.455 174.900 0.073 0.000 1.392 513 G CA -0.805 44.337 45.100 0.070 0.000 0.810 513 G HN 0.309 nan 8.290 nan 0.000 0.508 514 P HA -0.184 nan 4.420 nan 0.000 0.221 514 P C 1.907 179.214 177.300 0.012 0.000 1.151 514 P CA 2.098 65.180 63.100 -0.031 0.000 0.843 514 P CB 0.144 31.780 31.700 -0.107 0.000 0.778 515 G N -0.772 108.031 108.800 0.006 0.000 2.443 515 G HA2 -0.203 3.444 3.960 -0.522 0.000 0.219 515 G HA3 -0.203 3.444 3.960 -0.522 0.000 0.219 515 G C 0.719 175.678 174.900 0.098 0.000 1.131 515 G CA 0.874 45.958 45.100 -0.026 0.000 0.775 515 G HN 0.286 nan 8.290 nan 0.000 0.547 516 D N -1.022 119.492 120.400 0.191 0.000 2.367 516 D HA 0.071 4.398 4.640 -0.522 0.000 0.207 516 D C 1.233 177.643 176.300 0.183 0.000 1.034 516 D CA -0.365 53.784 54.000 0.248 0.000 0.861 516 D CB -0.089 40.915 40.800 0.341 0.000 0.943 516 D HN 0.349 nan 8.370 nan 0.000 0.515 517 F N 0.668 120.597 119.950 -0.035 0.000 2.693 517 F HA 0.303 4.517 4.527 -0.522 0.000 0.303 517 F C 0.671 176.347 175.800 -0.206 0.000 1.143 517 F CA 0.267 58.173 58.000 -0.157 0.000 1.389 517 F CB 0.140 39.037 39.000 -0.172 0.000 1.060 517 F HN -0.105 nan 8.300 nan 0.000 0.535 518 L N -1.962 119.288 121.223 0.045 0.000 2.691 518 L HA 0.036 4.063 4.340 -0.522 0.000 0.185 518 L C 2.129 179.042 176.870 0.073 0.000 1.081 518 L CA 0.285 55.123 54.840 -0.004 0.000 0.865 518 L CB -0.486 41.430 42.059 -0.237 0.000 1.370 518 L HN -0.169 nan 8.230 nan 0.000 0.488 519 V N -0.229 119.739 119.914 0.090 0.000 2.278 519 V HA -0.376 3.431 4.120 -0.522 0.000 0.251 519 V C 2.163 178.271 176.094 0.023 0.000 1.062 519 V CA 2.367 64.663 62.300 -0.007 0.000 1.038 519 V CB -1.067 30.642 31.823 -0.190 0.000 0.646 519 V HN 0.466 nan 8.190 nan 0.000 0.447 520 H N -1.406 117.665 119.070 0.002 0.000 2.518 520 H HA -0.086 4.157 4.556 -0.522 0.000 0.289 520 H C 2.060 177.512 175.328 0.206 0.000 1.051 520 H CA 1.389 57.499 56.048 0.103 0.000 1.280 520 H CB -0.007 29.799 29.762 0.073 0.000 1.380 520 H HN 0.499 nan 8.280 nan 0.000 0.566 521 H N -2.030 117.059 119.070 0.031 0.000 2.622 521 H HA 0.405 4.648 4.556 -0.522 0.000 0.269 521 H C 1.577 176.934 175.328 0.048 0.000 0.977 521 H CA 0.630 56.671 56.048 -0.010 0.000 1.179 521 H CB 0.613 30.307 29.762 -0.114 0.000 1.458 521 H HN 0.370 nan 8.280 nan 0.000 0.531 522 A N -0.209 122.707 122.820 0.159 0.000 2.252 522 A HA 0.189 4.196 4.320 -0.522 0.000 0.213 522 A C 1.903 179.671 177.584 0.306 0.000 1.188 522 A CA -0.039 52.062 52.037 0.107 0.000 0.863 522 A CB -0.092 18.786 19.000 -0.203 0.000 0.893 522 A HN 0.233 nan 8.150 nan 0.000 0.495 523 I N -0.251 120.467 120.570 0.247 0.000 2.500 523 I HA -0.144 3.712 4.170 -0.522 0.000 0.252 523 I C 2.761 179.001 176.117 0.204 0.000 1.142 523 I CA 1.001 62.454 61.300 0.254 0.000 1.451 523 I CB -0.150 37.947 38.000 0.162 0.000 1.093 523 I HN 0.307 nan 8.210 nan 0.000 0.430 524 A N 0.763 123.689 122.820 0.176 0.000 1.929 524 A HA -0.102 3.905 4.320 -0.522 0.000 0.216 524 A C 2.280 179.981 177.584 0.195 0.000 1.176 524 A CA 0.919 53.036 52.037 0.133 0.000 0.628 524 A CB -0.654 18.392 19.000 0.076 0.000 0.816 524 A HN 0.438 nan 8.150 nan 0.000 0.444 525 L N -0.595 120.751 121.223 0.203 0.000 2.551 525 L HA 0.040 4.067 4.340 -0.522 0.000 0.228 525 L C 1.978 179.022 176.870 0.290 0.000 1.153 525 L CA 0.734 55.701 54.840 0.211 0.000 0.851 525 L CB -0.234 41.950 42.059 0.209 0.000 0.959 525 L HN 0.404 nan 8.230 nan 0.000 0.451 526 G N 0.615 109.607 108.800 0.319 0.000 2.624 526 G HA2 -0.067 3.580 3.960 -0.522 0.000 0.216 526 G HA3 -0.067 3.580 3.960 -0.522 0.000 0.216 526 G C 0.544 175.532 174.900 0.147 0.000 1.274 526 G CA 0.187 45.476 45.100 0.316 0.000 0.856 526 G HN 0.304 nan 8.290 nan 0.000 0.555 527 L N -1.473 119.798 121.223 0.081 0.000 2.505 527 L HA 0.536 4.563 4.340 -0.522 0.000 0.275 527 L C 0.436 177.267 176.870 -0.065 0.000 1.264 527 L CA 0.531 55.369 54.840 -0.003 0.000 1.148 527 L CB -0.343 41.709 42.059 -0.012 0.000 1.377 527 L HN 0.344 nan 8.230 nan 0.000 0.442 528 H N 0.119 119.141 119.070 -0.079 0.000 1.797 528 H HA -0.089 4.154 4.556 -0.522 0.000 0.115 528 H C 1.502 176.702 175.328 -0.213 0.000 1.268 528 H CA 1.122 57.104 56.048 -0.110 0.000 0.431 528 H CB -0.326 29.380 29.762 -0.094 0.000 0.316 528 H HN 0.473 nan 8.280 nan 0.000 0.206 529 T N 0.566 115.023 114.554 -0.162 0.000 2.701 529 T HA -0.086 3.951 4.350 -0.522 0.000 0.263 529 T C 1.693 176.088 174.700 -0.507 0.000 1.040 529 T CA 2.191 63.984 62.100 -0.511 0.000 1.147 529 T CB -0.525 67.706 68.868 -1.063 0.000 0.865 529 T HN 0.311 nan 8.240 nan 0.000 0.426 530 T N 1.915 116.261 114.554 -0.347 0.000 2.897 530 T HA -0.117 3.920 4.350 -0.522 0.000 0.271 530 T C 2.242 176.763 174.700 -0.299 0.000 1.084 530 T CA 1.755 63.709 62.100 -0.244 0.000 1.123 530 T CB -0.470 68.349 68.868 -0.081 0.000 0.865 530 T HN 0.719 nan 8.240 nan 0.000 0.496 531 T N -0.226 114.156 114.554 -0.287 0.000 2.969 531 T HA 0.152 4.189 4.350 -0.522 0.000 0.250 531 T C 1.925 176.437 174.700 -0.313 0.000 1.021 531 T CA 0.142 62.002 62.100 -0.399 0.000 1.003 531 T CB -0.307 68.417 68.868 -0.240 0.000 1.040 531 T HN 0.321 nan 8.240 nan 0.000 0.492 532 L N 1.646 122.737 121.223 -0.221 0.000 2.141 532 L HA 0.263 4.290 4.340 -0.522 0.000 0.209 532 L C 2.292 179.041 176.870 -0.202 0.000 1.094 532 L CA 1.416 56.152 54.840 -0.174 0.000 0.763 532 L CB -1.203 40.754 42.059 -0.171 0.000 0.908 532 L HN 0.504 nan 8.230 nan 0.000 0.437 533 I N -3.129 117.285 120.570 -0.260 0.000 2.480 533 I HA -0.054 3.803 4.170 -0.522 0.000 0.251 533 I C 2.255 178.241 176.117 -0.218 0.000 1.124 533 I CA 0.862 62.028 61.300 -0.224 0.000 1.444 533 I CB -0.473 37.385 38.000 -0.238 0.000 1.098 533 I HN 0.235 nan 8.210 nan 0.000 0.428 534 L N 0.896 121.916 121.223 -0.339 0.000 2.023 534 L HA -0.116 3.911 4.340 -0.522 0.000 0.205 534 L C 2.868 179.541 176.870 -0.327 0.000 1.073 534 L CA 1.152 55.750 54.840 -0.403 0.000 0.745 534 L CB -0.606 40.980 42.059 -0.788 0.000 0.900 534 L HN 0.209 nan 8.230 nan 0.000 0.435 535 V N 0.523 120.198 119.914 -0.398 0.000 2.231 535 V HA -0.403 3.404 4.120 -0.522 0.000 0.250 535 V C 2.729 178.802 176.094 -0.035 0.000 1.058 535 V CA 2.553 64.798 62.300 -0.092 0.000 1.022 535 V CB -0.371 31.426 31.823 -0.043 0.000 0.640 535 V HN 0.509 nan 8.190 nan 0.000 0.445 536 K N -0.557 119.795 120.400 -0.079 0.000 1.978 536 K HA -0.158 3.849 4.320 -0.522 0.000 0.214 536 K C 2.154 178.730 176.600 -0.040 0.000 1.049 536 K CA 2.073 58.323 56.287 -0.062 0.000 0.939 536 K CB -1.199 31.255 32.500 -0.076 0.000 0.721 536 K HN 0.582 nan 8.250 nan 0.000 0.441 537 G N 0.700 109.472 108.800 -0.045 0.000 2.703 537 G HA2 -0.400 3.247 3.960 -0.522 0.000 0.222 537 G HA3 -0.400 3.247 3.960 -0.522 0.000 0.222 537 G C 1.614 176.537 174.900 0.037 0.000 1.183 537 G CA 2.108 47.204 45.100 -0.008 0.000 0.775 537 G HN 0.579 nan 8.290 nan 0.000 0.615 538 A N 0.478 123.356 122.820 0.097 0.000 1.841 538 A HA -0.009 3.997 4.320 -0.522 0.000 0.216 538 A C 2.473 180.112 177.584 0.090 0.000 1.199 538 A CA 1.856 54.005 52.037 0.187 0.000 0.621 538 A CB -0.626 18.553 19.000 0.298 0.000 0.835 538 A HN 0.306 nan 8.150 nan 0.000 0.445 539 L N 0.472 121.705 121.223 0.017 0.000 1.978 539 L HA -0.167 3.860 4.340 -0.522 0.000 0.218 539 L C 0.530 177.258 176.870 -0.236 0.000 1.075 539 L CA 2.304 57.062 54.840 -0.136 0.000 0.767 539 L CB -1.650 40.339 42.059 -0.117 0.000 0.890 539 L HN 0.712 nan 8.230 nan 0.000 0.434 540 D N -1.409 118.905 120.400 -0.143 0.000 2.590 540 D HA 0.322 4.649 4.640 -0.522 0.000 0.280 540 D C 0.869 177.113 176.300 -0.093 0.000 1.197 540 D CA 0.164 54.072 54.000 -0.154 0.000 0.967 540 D CB 0.613 41.340 40.800 -0.121 0.000 0.987 540 D HN 0.063 nan 8.370 nan 0.000 0.508 541 A N 1.553 124.318 122.820 -0.091 0.000 2.014 541 A HA -0.133 3.873 4.320 -0.522 0.000 0.218 541 A C 2.027 179.531 177.584 -0.133 0.000 1.163 541 A CA 0.563 52.562 52.037 -0.064 0.000 0.652 541 A CB -0.051 18.956 19.000 0.010 0.000 0.808 541 A HN 0.178 nan 8.150 nan 0.000 0.449 542 R N -0.333 120.047 120.500 -0.199 0.000 2.092 542 R HA 0.150 4.177 4.340 -0.522 0.000 0.231 542 R C 1.270 177.462 176.300 -0.180 0.000 1.119 542 R CA 0.794 56.761 56.100 -0.220 0.000 0.970 542 R CB -1.563 28.569 30.300 -0.280 0.000 0.864 542 R HN 0.906 nan 8.270 nan 0.000 0.440 543 G N -0.572 108.138 108.800 -0.150 0.000 2.603 543 G HA2 -0.137 3.510 3.960 -0.522 0.000 0.686 543 G HA3 -0.137 3.510 3.960 -0.522 0.000 0.686 543 G C -0.920 173.931 174.900 -0.082 0.000 1.286 543 G CA -0.351 44.690 45.100 -0.098 0.000 0.871 543 G HN 0.217 nan 8.290 nan 0.000 0.568 544 S N 0.697 116.367 115.700 -0.049 0.000 2.569 544 S HA 0.681 4.838 4.470 -0.522 0.000 0.280 544 S C 1.098 175.685 174.600 -0.021 0.000 1.111 544 S CA 0.214 58.390 58.200 -0.039 0.000 0.887 544 S CB 2.059 65.238 63.200 -0.035 0.000 1.095 544 S HN 1.670 nan 8.310 nan 0.000 0.476 545 K N 1.618 122.006 120.400 -0.020 0.000 2.384 545 K HA -0.305 3.701 4.320 -0.522 0.000 0.197 545 K C 1.409 178.009 176.600 0.000 0.000 0.769 545 K CA 2.610 58.891 56.287 -0.010 0.000 1.051 545 K CB -1.623 30.873 32.500 -0.008 0.000 1.156 545 K HN 0.540 nan 8.250 nan 0.000 0.594 546 L N 0.753 121.981 121.223 0.008 0.000 2.042 546 L HA 0.117 4.144 4.340 -0.522 0.000 0.210 546 L C 1.539 178.426 176.870 0.029 0.000 1.076 546 L CA 1.929 56.782 54.840 0.021 0.000 0.749 546 L CB -0.145 41.932 42.059 0.029 0.000 0.893 546 L HN 0.535 nan 8.230 nan 0.000 0.432 547 M N -0.732 118.884 119.600 0.027 0.000 2.078 547 M HA 0.253 4.420 4.480 -0.522 0.000 0.320 547 M C -1.770 174.518 176.300 -0.019 0.000 0.969 547 M CA -1.685 53.623 55.300 0.012 0.000 0.929 547 M CB 2.045 34.662 32.600 0.027 0.000 1.504 547 M HN -0.166 nan 8.290 nan 0.000 0.419 548 P HA -0.101 nan 4.420 nan 0.000 0.216 548 P C 0.257 177.520 177.300 -0.061 0.000 1.153 548 P CA 1.230 64.306 63.100 -0.040 0.000 0.844 548 P CB 0.290 31.973 31.700 -0.029 0.000 0.787 549 D N -0.544 119.821 120.400 -0.058 0.000 2.219 549 D HA -0.128 4.199 4.640 -0.522 0.000 0.205 549 D C 1.071 177.284 176.300 -0.146 0.000 0.970 549 D CA 0.898 54.853 54.000 -0.074 0.000 0.851 549 D CB -0.726 40.053 40.800 -0.034 0.000 0.943 549 D HN 0.181 nan 8.370 nan 0.000 0.488 550 K N 1.178 121.474 120.400 -0.174 0.000 2.360 550 K HA -0.011 3.995 4.320 -0.522 0.000 0.225 550 K C -0.184 176.066 176.600 -0.583 0.000 1.246 550 K CA 0.253 56.380 56.287 -0.265 0.000 1.198 550 K CB -0.235 32.156 32.500 -0.182 0.000 1.348 550 K HN -0.118 nan 8.250 nan 0.000 0.232 551 K N 1.660 121.565 120.400 -0.825 0.000 2.522 551 K HA 0.079 4.086 4.320 -0.522 0.000 0.275 551 K C -1.083 174.844 176.600 -1.123 0.000 1.006 551 K CA 0.092 55.766 56.287 -1.022 0.000 0.890 551 K CB 1.225 33.450 32.500 -0.458 0.000 1.475 551 K HN 0.493 nan 8.250 nan 0.000 0.441 552 D N -0.455 119.537 120.400 -0.679 0.000 2.981 552 D HA -0.188 4.139 4.640 -0.522 0.000 0.203 552 D C -0.259 175.984 176.300 -0.094 0.000 1.049 552 D CA 1.793 55.633 54.000 -0.267 0.000 1.003 552 D CB -2.297 38.464 40.800 -0.065 0.000 1.085 552 D HN 0.426 nan 8.370 nan 0.000 0.432 553 F N -3.239 116.692 119.950 -0.031 0.000 3.051 553 F HA 0.658 4.872 4.527 -0.522 0.000 0.341 553 F C 1.956 177.781 175.800 0.042 0.000 1.227 553 F CA -0.298 57.713 58.000 0.017 0.000 1.030 553 F CB -0.075 38.940 39.000 0.024 0.000 1.381 553 F HN 0.116 nan 8.300 nan 0.000 0.507 554 G N 2.219 110.704 108.800 -0.526 0.000 3.824 554 G HA2 -0.502 3.145 3.960 -0.522 0.000 0.280 554 G HA3 -0.502 3.145 3.960 -0.522 0.000 0.280 554 G C 1.251 176.236 174.900 0.141 0.000 0.963 554 G CA 2.358 47.295 45.100 -0.272 0.000 0.865 554 G HN 0.437 nan 8.290 nan 0.000 1.379 555 Y N 1.323 121.675 120.300 0.086 0.000 2.043 555 Y HA -0.040 4.197 4.550 -0.522 0.000 0.208 555 Y C 2.298 178.361 175.900 0.272 0.000 0.977 555 Y CA 2.009 60.200 58.100 0.153 0.000 0.958 555 Y CB -0.720 37.770 38.460 0.049 0.000 0.921 555 Y HN 0.213 nan 8.280 nan 0.000 0.542 556 S N 1.178 117.050 115.700 0.286 0.000 3.363 556 S HA 0.141 4.298 4.470 -0.522 0.000 0.267 556 S C -0.157 174.502 174.600 0.099 0.000 1.288 556 S CA -0.353 57.859 58.200 0.019 0.000 0.948 556 S CB -1.059 61.911 63.200 -0.384 0.000 1.397 556 S HN 0.430 nan 8.310 nan 0.000 0.493 557 F N 1.049 121.018 119.950 0.032 0.000 2.647 557 F HA 0.474 4.687 4.527 -0.522 0.000 0.300 557 F C -2.598 173.142 175.800 -0.099 0.000 1.106 557 F CA -2.492 55.459 58.000 -0.081 0.000 1.313 557 F CB -1.152 37.740 39.000 -0.180 0.000 1.007 557 F HN 0.117 nan 8.300 nan 0.000 0.536 558 P HA -0.169 nan 4.420 nan 0.000 0.264 558 P C 0.285 177.265 177.300 -0.533 0.000 1.139 558 P CA 0.698 63.428 63.100 -0.616 0.000 0.754 558 P CB -0.179 31.320 31.700 -0.336 0.000 0.737 559 C N 2.185 121.177 119.300 -0.514 0.000 0.168 559 C HA -0.017 4.130 4.460 -0.522 0.000 0.017 559 C C -0.775 174.119 174.990 -0.160 0.000 0.171 559 C CA 0.384 59.246 59.018 -0.260 0.000 0.499 559 C CB -1.357 26.289 27.740 -0.156 0.000 3.212 559 C HN 0.992 nan 8.230 nan 0.000 1.118 560 D N 1.345 121.743 120.400 -0.002 0.000 2.615 560 D HA 0.606 4.932 4.640 -0.522 0.000 0.267 560 D C 0.240 176.573 176.300 0.056 0.000 1.236 560 D CA 0.768 54.825 54.000 0.093 0.000 0.839 560 D CB 1.281 42.202 40.800 0.202 0.000 1.380 560 D HN 1.619 nan 8.370 nan 0.000 0.433 561 G N 0.717 109.548 108.800 0.052 0.000 2.647 561 G HA2 0.348 3.994 3.960 -0.522 0.000 0.234 561 G HA3 0.348 3.994 3.960 -0.522 0.000 0.234 561 G C -2.044 172.879 174.900 0.038 0.000 1.252 561 G CA -0.568 44.553 45.100 0.036 0.000 0.846 561 G HN 0.511 nan 8.290 nan 0.000 0.589 562 P HA 0.401 nan 4.420 nan 0.000 0.277 562 P C 0.825 178.139 177.300 0.023 0.000 1.276 562 P CA 0.925 64.042 63.100 0.027 0.000 0.788 562 P CB 0.355 32.068 31.700 0.022 0.000 1.114 563 G N -0.643 108.167 108.800 0.018 0.000 2.750 563 G HA2 -0.237 3.409 3.960 -0.522 0.000 0.228 563 G HA3 -0.237 3.409 3.960 -0.522 0.000 0.228 563 G C -0.005 174.907 174.900 0.020 0.000 1.367 563 G CA 0.517 45.626 45.100 0.016 0.000 0.871 563 G HN 0.814 nan 8.290 nan 0.000 0.560 564 R N -2.373 118.138 120.500 0.018 0.000 3.701 564 R HA -0.201 3.825 4.340 -0.522 0.000 0.524 564 R C 2.344 178.653 176.300 0.016 0.000 0.241 564 R CA 3.469 59.580 56.100 0.018 0.000 1.632 564 R CB -1.482 28.833 30.300 0.025 0.000 0.952 564 R HN 2.127 nan 8.270 nan 0.000 0.587 565 G N -0.480 108.331 108.800 0.018 0.000 2.534 565 G HA2 0.338 3.985 3.960 -0.522 0.000 0.217 565 G HA3 0.338 3.985 3.960 -0.522 0.000 0.217 565 G C 0.477 175.386 174.900 0.015 0.000 1.128 565 G CA 0.974 46.082 45.100 0.014 0.000 0.784 565 G HN 1.270 nan 8.290 nan 0.000 0.542 566 G N -0.798 108.014 108.800 0.021 0.000 3.444 566 G HA2 0.368 4.015 3.960 -0.522 0.000 0.685 566 G HA3 0.368 4.015 3.960 -0.522 0.000 0.685 566 G C -0.345 174.576 174.900 0.035 0.000 1.145 566 G CA -0.182 44.932 45.100 0.025 0.000 0.973 566 G HN 1.183 nan 8.290 nan 0.000 0.525 567 T N -0.777 113.804 114.554 0.045 0.000 2.861 567 T HA 0.844 4.880 4.350 -0.522 0.000 0.287 567 T C 0.343 175.075 174.700 0.054 0.000 1.003 567 T CA -0.035 62.100 62.100 0.058 0.000 0.977 567 T CB 2.499 71.415 68.868 0.079 0.000 0.996 567 T HN 1.237 nan 8.240 nan 0.000 0.448 568 C N 0.441 119.768 119.300 0.045 0.000 4.352 568 C HA 0.439 4.586 4.460 -0.522 0.000 0.272 568 C C -0.335 174.632 174.990 -0.039 0.000 4.723 568 C CA -0.494 58.538 59.018 0.022 0.000 1.672 568 C CB 0.847 28.632 27.740 0.075 0.000 5.549 568 C HN 0.955 nan 8.230 nan 0.000 0.506 569 D N 2.561 122.944 120.400 -0.028 0.000 2.641 569 D HA 0.089 4.415 4.640 -0.522 0.000 0.241 569 D C 0.248 176.536 176.300 -0.020 0.000 1.182 569 D CA 0.678 54.641 54.000 -0.062 0.000 1.329 569 D CB -0.719 40.066 40.800 -0.024 0.000 1.139 569 D HN 0.562 nan 8.370 nan 0.000 0.492 570 I N -1.817 118.727 120.570 -0.044 0.000 3.083 570 I HA 0.194 4.051 4.170 -0.522 0.000 0.336 570 I C -0.460 175.758 176.117 0.169 0.000 1.497 570 I CA -0.619 60.719 61.300 0.063 0.000 0.936 570 I CB 0.344 38.410 38.000 0.110 0.000 1.671 570 I HN -0.156 nan 8.210 nan 0.000 0.535 571 S N 0.416 116.134 115.700 0.030 0.000 2.549 571 S HA 0.735 4.891 4.470 -0.522 0.000 0.297 571 S C 1.223 175.831 174.600 0.013 0.000 1.115 571 S CA -0.247 58.058 58.200 0.175 0.000 1.059 571 S CB 2.086 65.280 63.200 -0.010 0.000 1.046 571 S HN 0.396 nan 8.310 nan 0.000 0.506 572 A N 0.932 123.702 122.820 -0.084 0.000 2.194 572 A HA -0.092 3.915 4.320 -0.522 0.000 0.220 572 A C 1.472 178.743 177.584 -0.522 0.000 1.162 572 A CA 1.236 53.125 52.037 -0.247 0.000 0.674 572 A CB -0.966 17.907 19.000 -0.211 0.000 0.789 572 A HN 1.032 nan 8.150 nan 0.000 0.470 573 W N 0.619 121.407 121.300 -0.852 0.000 2.523 573 W HA 0.005 4.352 4.660 -0.522 0.000 0.278 573 W C 0.290 176.853 176.519 0.072 0.000 1.236 573 W CA 1.378 58.428 57.345 -0.491 0.000 1.306 573 W CB 0.136 29.433 29.460 -0.272 0.000 1.101 573 W HN 0.369 nan 8.180 nan 0.000 0.577 574 D N -0.273 120.202 120.400 0.124 0.000 2.325 574 D HA -0.039 4.288 4.640 -0.522 0.000 0.225 574 D C 0.982 177.342 176.300 0.101 0.000 1.096 574 D CA 0.738 54.780 54.000 0.070 0.000 0.844 574 D CB 0.106 40.932 40.800 0.043 0.000 0.925 574 D HN 0.117 nan 8.370 nan 0.000 0.513 575 D N -0.763 119.655 120.400 0.030 0.000 2.531 575 D HA -0.010 4.317 4.640 -0.522 0.000 0.263 575 D C 1.506 177.776 176.300 -0.051 0.000 1.057 575 D CA -0.089 53.911 54.000 -0.001 0.000 0.909 575 D CB -0.352 40.441 40.800 -0.010 0.000 1.236 575 D HN 0.153 nan 8.370 nan 0.000 0.494 576 F N 1.880 121.728 119.950 -0.170 0.000 2.065 576 F HA -0.313 3.901 4.527 -0.522 0.000 0.298 576 F C 2.397 177.972 175.800 -0.375 0.000 1.112 576 F CA 1.496 59.373 58.000 -0.204 0.000 1.212 576 F CB -0.614 38.323 39.000 -0.104 0.000 0.975 576 F HN -0.001 nan 8.300 nan 0.000 0.476 577 Y N 0.894 120.855 120.300 -0.566 0.000 2.114 577 Y HA -0.263 3.974 4.550 -0.522 0.000 0.282 577 Y C 1.914 177.450 175.900 -0.606 0.000 1.165 577 Y CA 2.332 59.942 58.100 -0.816 0.000 1.148 577 Y CB -0.707 37.224 38.460 -0.882 0.000 0.972 577 Y HN 0.195 nan 8.280 nan 0.000 0.504 578 L N -0.012 120.992 121.223 -0.366 0.000 2.156 578 L HA -0.081 3.946 4.340 -0.522 0.000 0.208 578 L C 2.882 179.591 176.870 -0.269 0.000 1.095 578 L CA 0.777 55.454 54.840 -0.272 0.000 0.770 578 L CB -0.940 41.138 42.059 0.032 0.000 0.914 578 L HN 0.389 nan 8.230 nan 0.000 0.439 579 A N -0.236 122.376 122.820 -0.346 0.000 1.883 579 A HA -0.223 3.784 4.320 -0.522 0.000 0.217 579 A C 2.349 179.706 177.584 -0.377 0.000 1.186 579 A CA 1.988 53.835 52.037 -0.316 0.000 0.624 579 A CB -1.038 17.760 19.000 -0.336 0.000 0.822 579 A HN 0.190 nan 8.150 nan 0.000 0.444 580 V N -1.053 118.450 119.914 -0.685 0.000 3.026 580 V HA -0.191 3.615 4.120 -0.522 0.000 0.265 580 V C 2.007 177.708 176.094 -0.654 0.000 1.121 580 V CA 1.626 63.481 62.300 -0.743 0.000 1.142 580 V CB -0.897 30.354 31.823 -0.954 0.000 0.730 580 V HN 0.586 nan 8.190 nan 0.000 0.503 581 F N -1.840 117.826 119.950 -0.473 0.000 2.163 581 F HA -0.106 4.108 4.527 -0.522 0.000 0.297 581 F C 1.890 177.458 175.800 -0.387 0.000 1.094 581 F CA 1.639 59.370 58.000 -0.447 0.000 1.290 581 F CB -0.295 38.409 39.000 -0.492 0.000 1.017 581 F HN 0.266 nan 8.300 nan 0.000 0.483 582 W N -0.708 120.461 121.300 -0.218 0.000 2.476 582 W HA -0.035 4.311 4.660 -0.522 0.000 0.281 582 W C 2.404 178.736 176.519 -0.311 0.000 1.230 582 W CA 0.420 57.605 57.345 -0.266 0.000 1.287 582 W CB -0.427 28.901 29.460 -0.220 0.000 1.108 582 W HN -0.107 nan 8.180 nan 0.000 0.567 583 M N 0.040 119.548 119.600 -0.153 0.000 2.374 583 M HA -0.059 4.108 4.480 -0.522 0.000 0.264 583 M C 0.734 176.790 176.300 -0.406 0.000 1.067 583 M CA 1.611 56.742 55.300 -0.281 0.000 1.103 583 M CB -0.493 31.899 32.600 -0.346 0.000 1.402 583 M HN 0.035 nan 8.290 nan 0.000 0.444 584 L N 0.256 121.228 121.223 -0.417 0.000 2.783 584 L HA 0.115 4.142 4.340 -0.522 0.000 0.236 584 L C 1.386 178.044 176.870 -0.353 0.000 1.225 584 L CA -0.030 54.537 54.840 -0.455 0.000 1.026 584 L CB -0.563 41.154 42.059 -0.569 0.000 1.314 584 L HN 0.471 nan 8.230 nan 0.000 0.489 585 N N -1.995 116.453 118.700 -0.420 0.000 2.209 585 N HA -0.052 4.375 4.740 -0.522 0.000 0.249 585 N C 1.242 176.250 175.510 -0.837 0.000 1.146 585 N CA 0.456 53.077 53.050 -0.714 0.000 0.800 585 N CB 0.515 38.396 38.487 -1.010 0.000 1.521 585 N HN -0.001 nan 8.380 nan 0.000 0.498 586 T N 2.641 116.933 114.554 -0.437 0.000 2.542 586 T HA 0.013 4.050 4.350 -0.522 0.000 0.257 586 T C 1.623 176.239 174.700 -0.141 0.000 1.111 586 T CA 0.599 62.596 62.100 -0.171 0.000 1.203 586 T CB -0.244 68.601 68.868 -0.038 0.000 0.866 586 T HN 0.105 nan 8.240 nan 0.000 0.399 587 I N 1.888 122.331 120.570 -0.213 0.000 3.315 587 I HA -0.102 3.755 4.170 -0.522 0.000 0.311 587 I C 1.824 177.775 176.117 -0.276 0.000 1.280 587 I CA 0.660 61.773 61.300 -0.312 0.000 1.311 587 I CB -1.651 36.033 38.000 -0.528 0.000 1.032 587 I HN 0.443 nan 8.210 nan 0.000 0.578 588 G N -1.852 106.885 108.800 -0.105 0.000 2.831 588 G HA2 -0.053 3.594 3.960 -0.522 0.000 0.200 588 G HA3 -0.053 3.594 3.960 -0.522 0.000 0.200 588 G C 1.113 176.120 174.900 0.178 0.000 1.130 588 G CA -0.086 45.051 45.100 0.062 0.000 0.678 588 G HN 0.189 nan 8.290 nan 0.000 0.795 589 W N 1.193 122.458 121.300 -0.058 0.000 2.354 589 W HA -0.022 4.325 4.660 -0.522 0.000 0.315 589 W C 2.594 179.241 176.519 0.212 0.000 1.206 589 W CA 0.922 58.230 57.345 -0.062 0.000 1.290 589 W CB -1.298 28.090 29.460 -0.121 0.000 1.152 589 W HN 0.092 nan 8.180 nan 0.000 0.489 590 V N 0.200 120.368 119.914 0.423 0.000 2.231 590 V HA -0.357 3.450 4.120 -0.522 0.000 0.248 590 V C 2.398 178.805 176.094 0.522 0.000 1.054 590 V CA 3.432 65.992 62.300 0.434 0.000 1.015 590 V CB -1.146 30.842 31.823 0.275 0.000 0.638 590 V HN 0.257 nan 8.190 nan 0.000 0.444 591 T N -1.515 113.306 114.554 0.445 0.000 2.674 591 T HA -0.219 3.817 4.350 -0.522 0.000 0.265 591 T C 1.651 176.725 174.700 0.623 0.000 1.039 591 T CA 2.081 64.478 62.100 0.495 0.000 1.150 591 T CB -0.588 68.533 68.868 0.420 0.000 0.864 591 T HN 0.528 nan 8.240 nan 0.000 0.427 592 F N 0.590 120.821 119.950 0.469 0.000 2.065 592 F HA -0.285 3.929 4.527 -0.522 0.000 0.290 592 F C 2.026 178.314 175.800 0.813 0.000 1.079 592 F CA 2.467 60.894 58.000 0.712 0.000 1.261 592 F CB -1.002 38.310 39.000 0.519 0.000 0.968 592 F HN 0.417 nan 8.300 nan 0.000 0.496 593 Y N 0.031 120.814 120.300 0.806 0.000 2.044 593 Y HA -0.293 3.944 4.550 -0.521 0.000 0.264 593 Y C 1.259 177.517 175.900 0.596 0.000 1.111 593 Y CA 0.792 59.341 58.100 0.749 0.000 1.088 593 Y CB -0.781 38.025 38.460 0.576 0.000 0.981 593 Y HN 0.061 nan 8.280 nan 0.000 0.478 594 W N 3.830 125.096 121.300 -0.057 0.000 2.435 594 W HA 0.080 4.426 4.660 -0.523 0.000 0.337 594 W C -0.823 175.787 176.519 0.151 0.000 1.300 594 W CA 1.281 58.509 57.345 -0.196 0.000 1.298 594 W CB -1.461 27.569 29.460 -0.717 0.000 1.217 594 W HN 0.590 nan 8.180 nan 0.000 0.565 595 H N 5.065 124.398 119.070 0.438 0.000 4.213 595 H HA -0.092 4.151 4.556 -0.522 0.000 0.363 595 H C -0.888 174.602 175.328 0.270 0.000 0.918 595 H CA 0.167 56.471 56.048 0.425 0.000 1.096 595 H CB -1.512 28.572 29.762 0.536 0.000 1.272 595 H HN 0.810 nan 8.280 nan 0.000 0.359 596 W N 4.308 125.415 121.300 -0.322 0.000 3.081 596 W HA 0.016 4.362 4.660 -0.522 0.000 0.454 596 W C -0.137 176.226 176.519 -0.259 0.000 1.851 596 W CA 1.741 58.903 57.345 -0.306 0.000 0.460 596 W CB -0.684 28.423 29.460 -0.588 0.000 2.859 596 W HN 1.272 nan 8.180 nan 0.000 0.418 597 K N 3.491 123.584 120.400 -0.512 0.000 7.082 597 K HA -0.192 3.815 4.320 -0.522 0.000 0.594 597 K C 0.631 176.862 176.600 -0.616 0.000 2.575 597 K CA 2.197 58.020 56.287 -0.772 0.000 2.012 597 K CB -0.895 31.065 32.500 -0.900 0.000 2.349 597 K HN 1.144 nan 8.250 nan 0.000 0.193 598 H N 0.561 119.062 119.070 -0.949 0.000 4.642 598 H HA -0.358 3.885 4.556 -0.522 0.000 0.072 598 H C 1.658 176.386 175.328 -1.000 0.000 0.606 598 H CA 2.251 57.432 56.048 -1.446 0.000 1.026 598 H CB -1.672 27.364 29.762 -1.210 0.000 0.752 598 H HN 0.436 nan 8.280 nan 0.000 0.823 599 I N 0.217 120.691 120.570 -0.160 0.000 2.148 599 I HA -0.394 3.462 4.170 -0.522 0.000 0.229 599 I C 2.762 178.844 176.117 -0.059 0.000 0.993 599 I CA 2.911 64.228 61.300 0.028 0.000 1.295 599 I CB -0.845 37.139 38.000 -0.028 0.000 1.004 599 I HN 0.789 nan 8.210 nan 0.000 0.386 600 T N 0.202 114.665 114.554 -0.151 0.000 2.737 600 T HA -0.237 3.799 4.350 -0.522 0.000 0.269 600 T C 1.755 176.323 174.700 -0.219 0.000 1.040 600 T CA 1.591 63.596 62.100 -0.159 0.000 1.142 600 T CB -0.774 67.942 68.868 -0.253 0.000 0.861 600 T HN 0.297 nan 8.240 nan 0.000 0.456 601 L N -0.648 120.315 121.223 -0.433 0.000 2.191 601 L HA 0.097 4.123 4.340 -0.522 0.000 0.212 601 L C 2.156 178.840 176.870 -0.309 0.000 1.103 601 L CA 1.276 55.813 54.840 -0.504 0.000 0.769 601 L CB -0.859 40.687 42.059 -0.855 0.000 0.908 601 L HN 0.346 nan 8.230 nan 0.000 0.438 602 W N 0.228 121.502 121.300 -0.044 0.000 2.481 602 W HA 0.094 4.440 4.660 -0.523 0.000 0.293 602 W C 1.203 177.760 176.519 0.064 0.000 1.201 602 W CA 0.120 57.483 57.345 0.031 0.000 1.328 602 W CB -0.483 28.941 29.460 -0.061 0.000 1.112 602 W HN 0.062 nan 8.180 nan 0.000 0.546 603 R N 0.768 121.417 120.500 0.247 0.000 3.956 603 R HA 0.349 4.376 4.340 -0.522 0.000 0.237 603 R C 0.423 176.778 176.300 0.091 0.000 1.552 603 R CA -0.159 56.038 56.100 0.162 0.000 1.529 603 R CB -0.240 30.150 30.300 0.149 0.000 1.376 603 R HN -0.146 nan 8.270 nan 0.000 0.733 604 G N 1.592 110.428 108.800 0.059 0.000 2.368 604 G HA2 0.116 3.762 3.960 -0.522 0.000 0.320 604 G HA3 0.116 3.762 3.960 -0.522 0.000 0.320 604 G C -0.184 174.698 174.900 -0.030 0.000 1.158 604 G CA -0.759 44.336 45.100 -0.009 0.000 0.912 604 G HN 0.452 nan 8.290 nan 0.000 0.456 605 N N 0.725 119.405 118.700 -0.034 0.000 2.479 605 N HA 0.080 4.507 4.740 -0.522 0.000 0.257 605 N C 1.295 176.746 175.510 -0.099 0.000 1.232 605 N CA 0.040 53.058 53.050 -0.053 0.000 0.920 605 N CB 1.533 39.995 38.487 -0.042 0.000 1.105 605 N HN 0.389 nan 8.380 nan 0.000 0.444 606 V N -1.042 118.806 119.914 -0.110 0.000 2.788 606 V HA -0.118 3.689 4.120 -0.522 0.000 0.251 606 V C 2.246 178.271 176.094 -0.115 0.000 1.068 606 V CA 1.238 63.450 62.300 -0.146 0.000 1.090 606 V CB -1.255 30.475 31.823 -0.155 0.000 0.710 606 V HN 0.810 nan 8.190 nan 0.000 0.467 607 S N 1.180 116.831 115.700 -0.082 0.000 2.365 607 S HA -0.442 3.714 4.470 -0.522 0.000 0.225 607 S C 2.162 176.709 174.600 -0.088 0.000 1.039 607 S CA 2.390 60.552 58.200 -0.064 0.000 1.033 607 S CB -0.793 62.378 63.200 -0.047 0.000 0.887 607 S HN 0.714 nan 8.310 nan 0.000 0.447 608 Q N 0.026 119.757 119.800 -0.115 0.000 2.096 608 Q HA -0.136 3.891 4.340 -0.522 0.000 0.204 608 Q C 1.866 177.676 176.000 -0.316 0.000 0.982 608 Q CA 1.941 57.656 55.803 -0.147 0.000 0.850 608 Q CB -0.591 28.081 28.738 -0.111 0.000 0.901 608 Q HN 0.687 nan 8.270 nan 0.000 0.422 609 F N 1.020 120.570 119.950 -0.665 0.000 2.095 609 F HA -0.255 3.959 4.527 -0.521 0.000 0.298 609 F C 1.654 177.180 175.800 -0.456 0.000 1.104 609 F CA 1.833 59.253 58.000 -0.966 0.000 1.232 609 F CB -0.362 38.166 39.000 -0.785 0.000 0.987 609 F HN 0.199 nan 8.300 nan 0.000 0.475 610 N N 0.924 119.540 118.700 -0.140 0.000 2.061 610 N HA -0.228 4.199 4.740 -0.522 0.000 0.193 610 N C 1.638 177.055 175.510 -0.156 0.000 1.030 610 N CA 2.205 55.190 53.050 -0.108 0.000 0.856 610 N CB -0.712 37.752 38.487 -0.039 0.000 1.023 610 N HN 0.539 nan 8.380 nan 0.000 0.424 611 E N -0.108 120.016 120.200 -0.127 0.000 2.216 611 E HA 0.094 4.130 4.350 -0.522 0.000 0.192 611 E C 1.139 177.726 176.600 -0.021 0.000 0.988 611 E CA 0.702 57.043 56.400 -0.098 0.000 0.834 611 E CB 0.061 29.716 29.700 -0.074 0.000 0.772 611 E HN 0.147 nan 8.360 nan 0.000 0.479 612 S N 0.199 115.893 115.700 -0.011 0.000 2.577 612 S HA 0.079 4.236 4.470 -0.522 0.000 0.219 612 S C 1.501 176.154 174.600 0.087 0.000 0.962 612 S CA -0.096 58.241 58.200 0.229 0.000 0.921 612 S CB 0.359 63.738 63.200 0.299 0.000 0.789 612 S HN 0.139 nan 8.310 nan 0.000 0.497 613 S N 1.158 116.620 115.700 -0.397 0.000 2.436 613 S HA -0.052 4.105 4.470 -0.522 0.000 0.228 613 S C 1.931 176.748 174.600 0.362 0.000 1.014 613 S CA 0.740 58.801 58.200 -0.231 0.000 0.950 613 S CB -0.481 62.196 63.200 -0.871 0.000 0.784 613 S HN 0.440 nan 8.310 nan 0.000 0.504 614 T N 1.612 116.335 114.554 0.282 0.000 2.833 614 T HA -0.023 4.014 4.350 -0.522 0.000 0.269 614 T C 0.244 175.348 174.700 0.673 0.000 1.054 614 T CA 1.187 63.463 62.100 0.293 0.000 1.135 614 T CB -0.256 68.631 68.868 0.031 0.000 0.869 614 T HN 0.643 nan 8.240 nan 0.000 0.466 615 Y N -2.098 118.499 120.300 0.494 0.000 2.605 615 Y HA 0.617 4.854 4.550 -0.522 0.000 0.343 615 Y C 0.398 176.554 175.900 0.428 0.000 1.036 615 Y CA -2.629 55.778 58.100 0.510 0.000 1.065 615 Y CB 0.236 38.858 38.460 0.271 0.000 1.288 615 Y HN -0.185 nan 8.280 nan 0.000 0.481 616 L N 1.381 122.698 121.223 0.157 0.000 2.044 616 L HA 0.007 4.033 4.340 -0.522 0.000 0.205 616 L C 1.385 178.200 176.870 -0.092 0.000 1.075 616 L CA 1.176 55.951 54.840 -0.108 0.000 0.747 616 L CB -0.070 41.862 42.059 -0.211 0.000 0.903 616 L HN 0.766 nan 8.230 nan 0.000 0.435 617 M N 0.235 119.722 119.600 -0.187 0.000 2.200 617 M HA 0.334 4.501 4.480 -0.522 0.000 0.355 617 M C 0.848 176.890 176.300 -0.430 0.000 1.283 617 M CA 1.021 56.191 55.300 -0.217 0.000 1.124 617 M CB 0.860 33.366 32.600 -0.156 0.000 1.625 617 M HN 0.215 nan 8.290 nan 0.000 0.463 618 G N 3.468 112.127 108.800 -0.234 0.000 2.175 618 G HA2 -0.281 3.366 3.960 -0.522 0.000 0.244 618 G HA3 -0.281 3.366 3.960 -0.522 0.000 0.244 618 G C 0.212 175.005 174.900 -0.179 0.000 0.982 618 G CA 0.552 45.520 45.100 -0.220 0.000 0.641 618 G HN 0.920 nan 8.290 nan 0.000 0.527 619 W N -0.081 121.059 121.300 -0.266 0.000 2.418 619 W HA 0.327 4.673 4.660 -0.522 0.000 0.292 619 W C 2.419 178.849 176.519 -0.147 0.000 1.213 619 W CA 1.091 58.276 57.345 -0.267 0.000 1.283 619 W CB -0.259 29.078 29.460 -0.206 0.000 1.119 619 W HN 0.268 nan 8.180 nan 0.000 0.542 620 L N 0.558 121.871 121.223 0.151 0.000 1.994 620 L HA -0.177 3.850 4.340 -0.522 0.000 0.208 620 L C 2.612 179.550 176.870 0.113 0.000 1.071 620 L CA 1.923 56.829 54.840 0.110 0.000 0.745 620 L CB -1.342 40.753 42.059 0.059 0.000 0.892 620 L HN -0.026 nan 8.230 nan 0.000 0.431 621 R N -0.036 120.469 120.500 0.008 0.000 2.073 621 R HA -0.119 3.908 4.340 -0.522 0.000 0.234 621 R C -0.536 175.849 176.300 0.142 0.000 1.134 621 R CA 1.714 57.776 56.100 -0.064 0.000 0.952 621 R CB -0.294 29.883 30.300 -0.205 0.000 0.850 621 R HN 0.502 nan 8.270 nan 0.000 0.433 622 D N -1.459 119.035 120.400 0.155 0.000 2.593 622 D HA 0.272 4.599 4.640 -0.522 0.000 0.251 622 D C -1.266 175.168 176.300 0.222 0.000 1.140 622 D CA -0.648 53.539 54.000 0.311 0.000 0.855 622 D CB 0.786 41.792 40.800 0.344 0.000 1.267 622 D HN 0.191 nan 8.370 nan 0.000 0.532 623 Y N 2.144 122.470 120.300 0.043 0.000 2.531 623 Y HA -0.161 4.075 4.550 -0.522 0.000 0.021 623 Y C 0.468 176.364 175.900 -0.007 0.000 1.731 623 Y CA 0.054 58.033 58.100 -0.202 0.000 1.402 623 Y CB -0.808 36.965 38.460 -1.145 0.000 2.050 623 Y HN 0.882 nan 8.280 nan 0.000 0.257 624 L N 2.415 123.349 121.223 -0.481 0.000 3.370 624 L HA -0.379 3.647 4.340 -0.522 0.000 0.308 624 L C 1.511 178.309 176.870 -0.120 0.000 4.222 624 L CA 3.535 58.136 54.840 -0.398 0.000 1.163 624 L CB -1.941 40.021 42.059 -0.162 0.000 3.373 624 L HN 0.899 nan 8.230 nan 0.000 0.809 625 W N 0.791 122.022 121.300 -0.116 0.000 2.443 625 W HA 0.271 4.618 4.660 -0.522 0.000 0.296 625 W C 1.022 177.536 176.519 -0.008 0.000 1.202 625 W CA 0.789 58.104 57.345 -0.049 0.000 1.312 625 W CB 0.067 29.513 29.460 -0.023 0.000 1.120 625 W HN 0.147 nan 8.180 nan 0.000 0.536 626 L N 2.281 123.914 121.223 0.683 0.000 2.426 626 L HA 0.010 4.037 4.340 -0.522 0.000 0.271 626 L C 0.535 177.433 176.870 0.046 0.000 1.169 626 L CA 0.516 55.548 54.840 0.320 0.000 0.836 626 L CB 0.001 42.331 42.059 0.451 0.000 1.112 626 L HN 0.277 nan 8.230 nan 0.000 0.465 627 N N 0.355 118.999 118.700 -0.093 0.000 2.747 627 N HA -0.198 4.229 4.740 -0.522 0.000 0.249 627 N C 0.544 176.044 175.510 -0.017 0.000 1.107 627 N CA 0.675 53.664 53.050 -0.101 0.000 0.707 627 N CB -0.887 37.602 38.487 0.003 0.000 1.054 627 N HN 0.652 nan 8.380 nan 0.000 0.555 628 S N -1.121 114.512 115.700 -0.113 0.000 2.425 628 S HA -0.011 4.145 4.470 -0.522 0.000 0.225 628 S C 1.790 176.244 174.600 -0.244 0.000 1.024 628 S CA 0.478 58.593 58.200 -0.142 0.000 0.951 628 S CB 0.086 63.125 63.200 -0.268 0.000 0.796 628 S HN 0.524 nan 8.310 nan 0.000 0.498 629 S N 2.751 118.270 115.700 -0.301 0.000 2.068 629 S HA -0.406 3.751 4.470 -0.522 0.000 0.498 629 S C 1.868 176.327 174.600 -0.235 0.000 0.963 629 S CA 1.938 59.962 58.200 -0.293 0.000 3.049 629 S CB -1.166 61.866 63.200 -0.280 0.000 2.163 629 S HN 0.555 nan 8.310 nan 0.000 0.541 630 Q N 1.540 121.202 119.800 -0.231 0.000 2.061 630 Q HA -0.143 3.884 4.340 -0.522 0.000 0.204 630 Q C 2.610 178.520 176.000 -0.150 0.000 0.984 630 Q CA 1.858 57.550 55.803 -0.186 0.000 0.846 630 Q CB -0.732 27.881 28.738 -0.208 0.000 0.902 630 Q HN 0.869 nan 8.270 nan 0.000 0.421 631 L N -0.519 120.598 121.223 -0.177 0.000 2.046 631 L HA -0.129 3.897 4.340 -0.522 0.000 0.208 631 L C 2.504 179.330 176.870 -0.072 0.000 1.077 631 L CA 1.421 56.186 54.840 -0.126 0.000 0.747 631 L CB -1.131 40.816 42.059 -0.186 0.000 0.896 631 L HN 0.154 nan 8.230 nan 0.000 0.432 632 I N 0.783 121.288 120.570 -0.108 0.000 2.361 632 I HA -0.136 3.721 4.170 -0.522 0.000 0.251 632 I C 0.521 176.622 176.117 -0.026 0.000 1.133 632 I CA 1.031 62.298 61.300 -0.055 0.000 1.413 632 I CB -1.201 36.754 38.000 -0.075 0.000 1.073 632 I HN 0.601 nan 8.210 nan 0.000 0.424 633 N N 1.034 119.709 118.700 -0.041 0.000 2.558 633 N HA 0.412 4.839 4.740 -0.522 0.000 0.242 633 N C 0.617 176.124 175.510 -0.004 0.000 0.979 633 N CA -0.368 52.676 53.050 -0.010 0.000 0.931 633 N CB 1.084 39.563 38.487 -0.013 0.000 1.122 633 N HN 0.175 nan 8.380 nan 0.000 0.508 634 G N 1.174 109.991 108.800 0.027 0.000 2.603 634 G HA2 -0.004 3.642 3.960 -0.522 0.000 0.214 634 G HA3 -0.004 3.642 3.960 -0.522 0.000 0.214 634 G C 0.996 175.927 174.900 0.051 0.000 1.140 634 G CA 0.016 45.146 45.100 0.050 0.000 0.800 634 G HN 0.570 nan 8.290 nan 0.000 0.533 635 I N 0.721 121.323 120.570 0.054 0.000 2.584 635 I HA 0.006 3.863 4.170 -0.522 0.000 0.255 635 I C 1.754 177.886 176.117 0.026 0.000 1.145 635 I CA 0.137 61.466 61.300 0.047 0.000 1.462 635 I CB -0.236 37.807 38.000 0.073 0.000 1.102 635 I HN 0.022 nan 8.210 nan 0.000 0.433 636 T N 2.379 116.944 114.554 0.019 0.000 2.923 636 T HA -0.068 3.969 4.350 -0.522 0.000 0.309 636 T C -1.387 173.319 174.700 0.010 0.000 1.059 636 T CA -0.756 61.350 62.100 0.011 0.000 1.133 636 T CB 0.763 69.632 68.868 0.002 0.000 1.053 636 T HN -0.045 nan 8.240 nan 0.000 0.530 637 P HA -0.048 nan 4.420 nan 0.000 0.216 637 P C 0.550 177.854 177.300 0.007 0.000 1.154 637 P CA 1.125 64.231 63.100 0.010 0.000 0.865 637 P CB -0.035 31.671 31.700 0.011 0.000 0.789 638 L N -0.044 121.183 121.223 0.006 0.000 2.376 638 L HA 0.158 4.184 4.340 -0.522 0.000 0.250 638 L C 0.634 177.505 176.870 0.002 0.000 1.335 638 L CA -0.225 54.617 54.840 0.004 0.000 1.214 638 L CB -1.000 41.062 42.059 0.005 0.000 1.395 638 L HN -0.125 nan 8.230 nan 0.000 0.424 639 V N 1.112 121.026 119.914 -0.000 0.000 3.609 639 V HA -0.248 3.559 4.120 -0.522 0.000 0.516 639 V C -0.483 175.610 176.094 -0.002 0.000 0.682 639 V CA -0.104 62.193 62.300 -0.005 0.000 2.071 639 V CB -0.201 31.618 31.823 -0.006 0.000 2.489 639 V HN 0.863 nan 8.190 nan 0.000 0.512 640 C N 3.106 122.401 119.300 -0.008 0.000 2.281 640 C HA 0.802 4.949 4.460 -0.522 0.000 0.325 640 C C 0.147 175.149 174.990 0.019 0.000 1.282 640 C CA -0.377 58.644 59.018 0.004 0.000 1.640 640 C CB -0.718 27.015 27.740 -0.013 0.000 2.288 640 C HN 0.975 nan 8.230 nan 0.000 0.507 641 N N 1.744 120.459 118.700 0.025 0.000 2.379 641 N HA 0.292 4.719 4.740 -0.522 0.000 0.260 641 N C 1.367 176.898 175.510 0.036 0.000 1.254 641 N CA -0.004 53.060 53.050 0.023 0.000 0.958 641 N CB 0.786 39.276 38.487 0.005 0.000 1.208 641 N HN 0.857 nan 8.380 nan 0.000 0.532 642 S N 0.028 115.731 115.700 0.006 0.000 2.370 642 S HA -0.115 4.042 4.470 -0.522 0.000 0.226 642 S C 0.683 175.237 174.600 -0.076 0.000 1.033 642 S CA 0.943 59.122 58.200 -0.034 0.000 1.011 642 S CB -0.506 62.660 63.200 -0.057 0.000 0.852 642 S HN 0.329 nan 8.310 nan 0.000 0.457 643 L N 1.487 122.716 121.223 0.010 0.000 2.264 643 L HA 0.434 4.461 4.340 -0.522 0.000 0.289 643 L C 0.684 177.660 176.870 0.176 0.000 1.044 643 L CA -0.382 54.533 54.840 0.125 0.000 0.807 643 L CB 1.616 43.802 42.059 0.212 0.000 1.192 643 L HN 0.099 nan 8.230 nan 0.000 0.425 644 S N 0.805 116.659 115.700 0.257 0.000 2.670 644 S HA 0.026 4.183 4.470 -0.522 0.000 0.241 644 S C 1.735 176.466 174.600 0.218 0.000 1.077 644 S CA -0.074 58.271 58.200 0.243 0.000 0.899 644 S CB 0.507 63.817 63.200 0.183 0.000 0.835 644 S HN 0.429 nan 8.310 nan 0.000 0.481 645 V N 1.488 121.507 119.914 0.176 0.000 2.250 645 V HA -0.282 3.525 4.120 -0.522 0.000 0.250 645 V C 1.897 178.004 176.094 0.022 0.000 1.060 645 V CA 2.140 64.418 62.300 -0.036 0.000 1.030 645 V CB -0.967 30.634 31.823 -0.369 0.000 0.643 645 V HN 0.580 nan 8.190 nan 0.000 0.445 646 W N 0.157 121.561 121.300 0.174 0.000 2.332 646 W HA -0.118 4.229 4.660 -0.522 0.000 0.321 646 W C 2.753 179.404 176.519 0.221 0.000 1.219 646 W CA 1.502 58.933 57.345 0.144 0.000 1.277 646 W CB -1.050 28.414 29.460 0.007 0.000 1.161 646 W HN 0.179 nan 8.180 nan 0.000 0.476 647 A N -0.792 122.267 122.820 0.397 0.000 1.933 647 A HA -0.237 3.770 4.320 -0.522 0.000 0.218 647 A C 1.652 179.470 177.584 0.389 0.000 1.175 647 A CA 1.560 53.800 52.037 0.339 0.000 0.628 647 A CB -1.413 17.712 19.000 0.209 0.000 0.814 647 A HN 0.550 nan 8.150 nan 0.000 0.444 648 W N -0.230 121.179 121.300 0.183 0.000 2.436 648 W HA -0.092 4.255 4.660 -0.522 0.000 0.284 648 W C 2.176 178.821 176.519 0.210 0.000 1.225 648 W CA 1.677 59.112 57.345 0.149 0.000 1.271 648 W CB -0.054 29.452 29.460 0.078 0.000 1.114 648 W HN 0.355 nan 8.180 nan 0.000 0.559 649 M N -0.690 119.212 119.600 0.503 0.000 2.175 649 M HA -0.159 4.008 4.480 -0.522 0.000 0.264 649 M C 2.051 178.618 176.300 0.445 0.000 1.063 649 M CA 1.699 57.267 55.300 0.447 0.000 1.119 649 M CB -0.643 32.211 32.600 0.422 0.000 1.377 649 M HN 0.109 nan 8.290 nan 0.000 0.415 650 F N 0.736 120.829 119.950 0.239 0.000 2.293 650 F HA -0.105 4.109 4.527 -0.522 0.000 0.300 650 F C 1.440 177.260 175.800 0.034 0.000 1.086 650 F CA 1.393 59.491 58.000 0.163 0.000 1.375 650 F CB -0.014 39.058 39.000 0.119 0.000 1.045 650 F HN 0.102 nan 8.300 nan 0.000 0.516 651 L N -1.770 119.407 121.223 -0.077 0.000 2.253 651 L HA -0.036 3.991 4.340 -0.522 0.000 0.205 651 L C 2.251 178.991 176.870 -0.216 0.000 1.078 651 L CA 0.439 55.126 54.840 -0.254 0.000 0.805 651 L CB -0.813 41.113 42.059 -0.222 0.000 0.963 651 L HN 0.137 nan 8.230 nan 0.000 0.459 652 F N 1.557 121.254 119.950 -0.422 0.000 2.147 652 F HA -0.223 3.990 4.527 -0.522 0.000 0.301 652 F C 2.128 177.848 175.800 -0.133 0.000 1.084 652 F CA 1.752 59.515 58.000 -0.394 0.000 1.268 652 F CB -0.453 38.243 39.000 -0.507 0.000 1.009 652 F HN 0.010 nan 8.300 nan 0.000 0.486 653 G N -0.772 108.039 108.800 0.019 0.000 2.446 653 G HA2 -0.284 3.363 3.960 -0.522 0.000 0.217 653 G HA3 -0.284 3.363 3.960 -0.522 0.000 0.217 653 G C 1.510 176.374 174.900 -0.060 0.000 1.168 653 G CA 1.157 46.267 45.100 0.017 0.000 0.771 653 G HN 0.591 nan 8.290 nan 0.000 0.551 654 H N -0.631 118.254 119.070 -0.309 0.000 2.524 654 H HA 0.145 4.388 4.556 -0.522 0.000 0.282 654 H C 2.403 177.690 175.328 -0.067 0.000 1.016 654 H CA 0.406 56.309 56.048 -0.241 0.000 1.270 654 H CB 0.343 29.910 29.762 -0.325 0.000 1.394 654 H HN 0.273 nan 8.280 nan 0.000 0.568 655 L N 0.012 121.212 121.223 -0.039 0.000 2.056 655 L HA -0.122 3.905 4.340 -0.522 0.000 0.202 655 L C 2.352 179.202 176.870 -0.032 0.000 1.086 655 L CA 0.505 55.315 54.840 -0.050 0.000 0.758 655 L CB -0.245 41.735 42.059 -0.131 0.000 0.912 655 L HN -0.044 nan 8.230 nan 0.000 0.446 656 V N -0.427 119.360 119.914 -0.210 0.000 2.311 656 V HA -0.386 3.421 4.120 -0.522 0.000 0.256 656 V C 2.006 178.195 176.094 0.158 0.000 1.077 656 V CA 2.631 64.880 62.300 -0.085 0.000 1.067 656 V CB -1.166 30.407 31.823 -0.417 0.000 0.659 656 V HN 0.710 nan 8.190 nan 0.000 0.451 657 W N 0.524 121.786 121.300 -0.063 0.000 2.233 657 W HA -0.146 4.201 4.660 -0.522 0.000 0.321 657 W C 2.659 179.273 176.519 0.158 0.000 1.187 657 W CA 2.674 60.007 57.345 -0.021 0.000 1.172 657 W CB -1.055 28.327 29.460 -0.130 0.000 1.186 657 W HN 0.189 nan 8.180 nan 0.000 0.456 658 A N -0.547 122.571 122.820 0.497 0.000 1.935 658 A HA -0.427 3.580 4.320 -0.522 0.000 0.224 658 A C 1.962 179.701 177.584 0.259 0.000 1.324 658 A CA 3.390 55.638 52.037 0.351 0.000 0.686 658 A CB -1.916 17.209 19.000 0.209 0.000 0.837 658 A HN 0.472 nan 8.150 nan 0.000 0.481 659 T N -0.930 113.691 114.554 0.111 0.000 3.098 659 T HA 0.128 4.165 4.350 -0.522 0.000 0.266 659 T C 1.588 176.244 174.700 -0.072 0.000 1.145 659 T CA 1.434 63.539 62.100 0.008 0.000 1.092 659 T CB -0.746 68.105 68.868 -0.028 0.000 0.908 659 T HN 0.657 nan 8.240 nan 0.000 0.526 660 G N 0.917 109.698 108.800 -0.032 0.000 2.701 660 G HA2 -0.187 3.460 3.960 -0.522 0.000 0.215 660 G HA3 -0.187 3.460 3.960 -0.522 0.000 0.215 660 G C 1.072 176.011 174.900 0.065 0.000 1.297 660 G CA 0.983 46.059 45.100 -0.039 0.000 0.807 660 G HN 0.533 nan 8.290 nan 0.000 0.608 661 F N 0.277 120.181 119.950 -0.078 0.000 2.056 661 F HA -0.369 3.845 4.527 -0.522 0.000 0.282 661 F C 2.702 178.489 175.800 -0.023 0.000 1.056 661 F CA 2.154 60.118 58.000 -0.060 0.000 1.318 661 F CB -0.642 38.290 39.000 -0.113 0.000 0.973 661 F HN 0.173 nan 8.300 nan 0.000 0.490 662 M N -0.353 119.293 119.600 0.076 0.000 3.554 662 M HA -0.211 3.956 4.480 -0.522 0.000 0.291 662 M C 0.347 176.571 176.300 -0.126 0.000 1.046 662 M CA 1.549 56.765 55.300 -0.141 0.000 1.059 662 M CB -0.654 31.630 32.600 -0.526 0.000 1.183 662 M HN -0.074 nan 8.290 nan 0.000 0.607 663 F N 1.745 121.669 119.950 -0.043 0.000 2.417 663 F HA -0.023 4.191 4.527 -0.522 0.000 0.412 663 F C 0.766 176.598 175.800 0.053 0.000 0.964 663 F CA 0.848 58.822 58.000 -0.044 0.000 1.081 663 F CB -0.626 38.303 39.000 -0.118 0.000 0.909 663 F HN 0.370 nan 8.300 nan 0.000 0.522 664 L N 0.928 122.348 121.223 0.329 0.000 1.722 664 L HA -0.206 3.821 4.340 -0.522 0.000 0.500 664 L C 0.703 177.973 176.870 0.666 0.000 0.740 664 L CA 0.208 55.319 54.840 0.452 0.000 2.899 664 L CB -0.936 41.199 42.059 0.127 0.000 0.908 664 L HN 0.534 nan 8.230 nan 0.000 0.681 665 I N -1.441 119.370 120.570 0.402 0.000 3.817 665 I HA 0.221 4.077 4.170 -0.522 0.000 0.325 665 I C 1.064 177.290 176.117 0.182 0.000 1.550 665 I CA 0.155 61.533 61.300 0.130 0.000 1.100 665 I CB 0.953 38.977 38.000 0.039 0.000 1.216 665 I HN 0.042 nan 8.210 nan 0.000 0.481 666 S N -0.305 115.709 115.700 0.524 0.000 2.891 666 S HA 0.138 4.294 4.470 -0.522 0.000 0.247 666 S C 0.010 175.005 174.600 0.658 0.000 1.063 666 S CA -0.082 58.402 58.200 0.473 0.000 0.857 666 S CB 0.454 64.000 63.200 0.577 0.000 0.800 666 S HN 0.460 nan 8.310 nan 0.000 0.540 667 W N 3.111 124.508 121.300 0.162 0.000 3.115 667 W HA -0.192 4.155 4.660 -0.522 0.000 0.452 667 W C 1.069 177.703 176.519 0.192 0.000 1.828 667 W CA -0.135 57.287 57.345 0.127 0.000 0.469 667 W CB -0.407 29.091 29.460 0.064 0.000 2.862 667 W HN 0.380 nan 8.180 nan 0.000 0.437 668 R N 1.483 122.124 120.500 0.235 0.000 2.351 668 R HA -0.304 3.722 4.340 -0.522 0.000 0.266 668 R C 2.000 178.466 176.300 0.276 0.000 1.119 668 R CA 2.702 58.951 56.100 0.249 0.000 0.985 668 R CB -0.834 29.525 30.300 0.099 0.000 0.901 668 R HN 0.628 nan 8.270 nan 0.000 0.475 669 G N -0.279 108.654 108.800 0.223 0.000 2.574 669 G HA2 -0.377 3.270 3.960 -0.522 0.000 0.220 669 G HA3 -0.377 3.270 3.960 -0.522 0.000 0.220 669 G C 1.179 176.148 174.900 0.115 0.000 1.173 669 G CA 1.196 46.386 45.100 0.151 0.000 0.772 669 G HN 0.634 nan 8.290 nan 0.000 0.585 670 Y N -0.164 120.110 120.300 -0.043 0.000 2.352 670 Y HA -0.005 4.232 4.550 -0.522 0.000 0.292 670 Y C 2.324 178.027 175.900 -0.328 0.000 1.136 670 Y CA 0.955 58.902 58.100 -0.256 0.000 1.227 670 Y CB -0.248 37.945 38.460 -0.444 0.000 0.991 670 Y HN 0.315 nan 8.280 nan 0.000 0.545 671 W N 0.214 121.645 121.300 0.220 0.000 2.480 671 W HA -0.035 4.312 4.660 -0.522 0.000 0.299 671 W C 2.607 179.123 176.519 -0.005 0.000 1.187 671 W CA 1.011 58.438 57.345 0.137 0.000 1.347 671 W CB -0.669 28.898 29.460 0.179 0.000 1.121 671 W HN 0.023 nan 8.180 nan 0.000 0.533 672 Q N 1.251 121.182 119.800 0.218 0.000 2.112 672 Q HA -0.268 3.759 4.340 -0.522 0.000 0.206 672 Q C 1.918 177.930 176.000 0.021 0.000 0.987 672 Q CA 2.326 58.192 55.803 0.104 0.000 0.858 672 Q CB -0.433 28.352 28.738 0.080 0.000 0.905 672 Q HN 0.407 nan 8.270 nan 0.000 0.420 673 E N -1.116 119.054 120.200 -0.049 0.000 2.072 673 E HA -0.158 3.879 4.350 -0.522 0.000 0.191 673 E C 1.641 178.167 176.600 -0.124 0.000 0.985 673 E CA 1.030 57.373 56.400 -0.096 0.000 0.801 673 E CB -0.200 29.418 29.700 -0.138 0.000 0.750 673 E HN 0.374 nan 8.360 nan 0.000 0.452 674 L N 0.730 121.823 121.223 -0.215 0.000 2.376 674 L HA 0.046 4.072 4.340 -0.522 0.000 0.219 674 L C 1.689 178.545 176.870 -0.023 0.000 1.133 674 L CA 1.078 55.813 54.840 -0.174 0.000 0.816 674 L CB -0.023 41.840 42.059 -0.326 0.000 0.933 674 L HN 0.252 nan 8.230 nan 0.000 0.449 675 I N -1.071 119.514 120.570 0.025 0.000 2.761 675 I HA -0.171 3.686 4.170 -0.522 0.000 0.261 675 I C 1.985 178.149 176.117 0.078 0.000 1.198 675 I CA 0.545 61.894 61.300 0.082 0.000 1.482 675 I CB -0.134 37.922 38.000 0.093 0.000 1.100 675 I HN 0.325 nan 8.210 nan 0.000 0.445 676 E N 0.401 120.628 120.200 0.045 0.000 2.106 676 E HA -0.214 3.823 4.350 -0.522 0.000 0.192 676 E C 2.213 178.873 176.600 0.101 0.000 0.984 676 E CA 1.942 58.376 56.400 0.057 0.000 0.806 676 E CB -0.067 29.642 29.700 0.014 0.000 0.750 676 E HN 0.532 nan 8.360 nan 0.000 0.458 677 T N -0.692 113.904 114.554 0.070 0.000 2.978 677 T HA -0.036 4.001 4.350 -0.522 0.000 0.262 677 T C 1.768 176.615 174.700 0.245 0.000 1.063 677 T CA 0.275 62.433 62.100 0.097 0.000 1.140 677 T CB -0.022 68.838 68.868 -0.014 0.000 0.886 677 T HN -0.018 nan 8.240 nan 0.000 0.470 678 L N 1.048 122.392 121.223 0.201 0.000 2.492 678 L HA 0.533 4.560 4.340 -0.522 0.000 0.223 678 L C 2.141 179.227 176.870 0.360 0.000 1.132 678 L CA 0.661 55.648 54.840 0.246 0.000 0.850 678 L CB -0.402 41.768 42.059 0.186 0.000 0.966 678 L HN 0.464 nan 8.230 nan 0.000 0.454 679 A N -2.485 120.543 122.820 0.346 0.000 2.833 679 A HA 0.056 4.062 4.320 -0.522 0.000 0.293 679 A C 1.112 178.958 177.584 0.437 0.000 1.338 679 A CA -0.446 51.848 52.037 0.427 0.000 0.959 679 A CB -1.035 18.124 19.000 0.264 0.000 1.094 679 A HN 0.605 nan 8.150 nan 0.000 0.569 680 W N -0.655 120.770 121.300 0.209 0.000 2.998 680 W HA 0.442 4.789 4.660 -0.522 0.000 0.336 680 W C 1.286 177.893 176.519 0.147 0.000 1.112 680 W CA 0.656 58.091 57.345 0.150 0.000 1.682 680 W CB 0.221 29.731 29.460 0.084 0.000 1.065 680 W HN 0.315 nan 8.180 nan 0.000 0.570 681 A N 1.487 124.392 122.820 0.142 0.000 1.881 681 A HA -0.212 3.795 4.320 -0.522 0.000 0.208 681 A C 1.602 179.057 177.584 -0.214 0.000 1.264 681 A CA 2.327 54.264 52.037 -0.167 0.000 0.629 681 A CB -1.502 17.396 19.000 -0.171 0.000 0.906 681 A HN 0.489 nan 8.150 nan 0.000 0.476 682 H N 0.218 119.225 119.070 -0.104 0.000 2.319 682 H HA -0.119 4.124 4.556 -0.522 0.000 0.297 682 H C 1.899 177.100 175.328 -0.211 0.000 1.097 682 H CA 1.768 57.735 56.048 -0.136 0.000 1.285 682 H CB -0.630 29.068 29.762 -0.106 0.000 1.368 682 H HN 0.709 nan 8.280 nan 0.000 0.495 683 E N 0.395 120.601 120.200 0.011 0.000 2.085 683 E HA -0.162 3.875 4.350 -0.522 0.000 0.194 683 E C 2.014 178.499 176.600 -0.192 0.000 0.994 683 E CA 0.848 57.192 56.400 -0.093 0.000 0.801 683 E CB 0.065 29.759 29.700 -0.009 0.000 0.743 683 E HN 0.288 nan 8.360 nan 0.000 0.453 684 R N 0.132 120.402 120.500 -0.384 0.000 2.240 684 R HA 0.121 4.148 4.340 -0.522 0.000 0.203 684 R C 0.537 176.617 176.300 -0.367 0.000 1.011 684 R CA 0.471 56.263 56.100 -0.513 0.000 1.007 684 R CB 0.023 29.690 30.300 -1.055 0.000 0.911 684 R HN -0.012 nan 8.270 nan 0.000 0.468 685 T N 2.625 117.002 114.554 -0.295 0.000 2.797 685 T HA 0.397 4.434 4.350 -0.522 0.000 0.279 685 T C -2.609 172.008 174.700 -0.137 0.000 0.991 685 T CA -1.770 60.201 62.100 -0.216 0.000 0.979 685 T CB 2.381 71.113 68.868 -0.226 0.000 0.943 685 T HN -0.155 nan 8.240 nan 0.000 0.444 686 P HA 0.222 nan 4.420 nan 0.000 0.267 686 P C 0.687 177.950 177.300 -0.062 0.000 1.200 686 P CA 0.112 63.167 63.100 -0.075 0.000 0.772 686 P CB 0.329 31.994 31.700 -0.059 0.000 0.855 687 L N -0.494 120.697 121.223 -0.053 0.000 5.081 687 L HA -0.312 3.714 4.340 -0.522 0.000 0.423 687 L C 0.974 177.820 176.870 -0.041 0.000 1.019 687 L CA 1.164 55.979 54.840 -0.042 0.000 1.223 687 L CB -1.951 40.087 42.059 -0.033 0.000 1.940 687 L HN 0.473 nan 8.230 nan 0.000 0.675 688 A N -0.147 122.644 122.820 -0.049 0.000 2.465 688 A HA 0.344 4.351 4.320 -0.522 0.000 0.255 688 A C 0.569 178.121 177.584 -0.053 0.000 1.274 688 A CA 0.386 52.402 52.037 -0.034 0.000 0.920 688 A CB -0.104 18.876 19.000 -0.034 0.000 1.033 688 A HN 0.574 nan 8.150 nan 0.000 0.516 689 N N -1.393 117.260 118.700 -0.079 0.000 2.469 689 N HA 0.566 4.993 4.740 -0.522 0.000 0.286 689 N C 0.314 175.755 175.510 -0.115 0.000 1.275 689 N CA -0.375 52.611 53.050 -0.107 0.000 0.790 689 N CB 1.770 40.198 38.487 -0.099 0.000 1.446 689 N HN 0.194 nan 8.380 nan 0.000 0.501 690 L N -2.360 118.784 121.223 -0.133 0.000 3.495 690 L HA -0.159 3.868 4.340 -0.522 0.000 0.412 690 L C -0.801 175.965 176.870 -0.173 0.000 0.717 690 L CA 0.680 55.444 54.840 -0.126 0.000 2.795 690 L CB -0.624 41.380 42.059 -0.091 0.000 0.936 690 L HN 0.701 nan 8.230 nan 0.000 0.674 691 I N 1.949 122.385 120.570 -0.224 0.000 2.321 691 I HA 0.238 4.094 4.170 -0.522 0.000 0.291 691 I C 0.579 176.474 176.117 -0.371 0.000 0.998 691 I CA -0.369 60.798 61.300 -0.221 0.000 1.227 691 I CB 0.736 38.630 38.000 -0.177 0.000 1.368 691 I HN 0.129 nan 8.210 nan 0.000 0.466 692 R N 6.931 127.258 120.500 -0.288 0.000 2.393 692 R HA 0.425 4.451 4.340 -0.522 0.000 0.310 692 R C -1.192 174.969 176.300 -0.232 0.000 0.968 692 R CA -0.726 55.179 56.100 -0.325 0.000 0.867 692 R CB 0.858 31.067 30.300 -0.152 0.000 1.124 692 R HN 0.376 nan 8.270 nan 0.000 0.450 693 W N 2.778 124.038 121.300 -0.066 0.000 2.170 693 W HA 0.116 4.463 4.660 -0.522 0.000 0.342 693 W C 0.957 177.445 176.519 -0.050 0.000 1.294 693 W CA -0.447 56.862 57.345 -0.060 0.000 1.246 693 W CB 0.044 29.462 29.460 -0.070 0.000 1.156 693 W HN 0.728 nan 8.180 nan 0.000 0.572 694 R N 0.136 120.747 120.500 0.185 0.000 2.161 694 R HA -0.019 4.008 4.340 -0.522 0.000 0.213 694 R C 0.066 176.417 176.300 0.085 0.000 1.055 694 R CA 0.751 56.911 56.100 0.099 0.000 0.996 694 R CB 0.136 30.460 30.300 0.040 0.000 0.901 694 R HN 0.395 nan 8.270 nan 0.000 0.456 695 D N 0.946 121.394 120.400 0.079 0.000 2.308 695 D HA 0.133 4.459 4.640 -0.522 0.000 0.242 695 D C -0.811 175.405 176.300 -0.140 0.000 1.059 695 D CA -0.580 53.405 54.000 -0.025 0.000 0.830 695 D CB 2.097 42.849 40.800 -0.080 0.000 1.161 695 D HN -0.270 nan 8.370 nan 0.000 0.494 696 K N 2.357 122.661 120.400 -0.160 0.000 2.401 696 K HA 0.211 4.217 4.320 -0.522 0.000 0.278 696 K C -2.513 173.811 176.600 -0.460 0.000 1.018 696 K CA -1.323 54.770 56.287 -0.323 0.000 0.981 696 K CB 0.321 32.729 32.500 -0.153 0.000 0.933 696 K HN 0.056 nan 8.250 nan 0.000 0.477 697 P HA -0.016 nan 4.420 nan 0.000 0.268 697 P C -1.105 176.066 177.300 -0.215 0.000 1.204 697 P CA -0.234 62.573 63.100 -0.488 0.000 0.768 697 P CB 0.678 32.036 31.700 -0.570 0.000 0.842 698 V N -0.225 119.635 119.914 -0.090 0.000 3.206 698 V HA 0.938 4.744 4.120 -0.522 0.000 0.305 698 V C -1.152 174.976 176.094 0.057 0.000 1.257 698 V CA -1.568 60.725 62.300 -0.012 0.000 1.057 698 V CB 1.844 33.659 31.823 -0.015 0.000 1.075 698 V HN 0.502 nan 8.190 nan 0.000 0.443 699 A N 2.319 125.183 122.820 0.073 0.000 2.330 699 A HA 0.830 4.837 4.320 -0.522 0.000 0.327 699 A C -0.262 177.364 177.584 0.071 0.000 1.155 699 A CA -0.882 51.220 52.037 0.107 0.000 0.803 699 A CB 0.824 19.939 19.000 0.192 0.000 1.208 699 A HN 1.076 nan 8.150 nan 0.000 0.477 700 L N 2.234 123.479 121.223 0.037 0.000 2.514 700 L HA 0.143 4.170 4.340 -0.522 0.000 0.280 700 L C 1.478 178.345 176.870 -0.005 0.000 1.223 700 L CA -0.093 54.737 54.840 -0.016 0.000 0.864 700 L CB 0.268 42.261 42.059 -0.109 0.000 1.118 700 L HN 0.967 nan 8.230 nan 0.000 0.494 701 S N 2.851 118.564 115.700 0.022 0.000 2.634 701 S HA 0.069 4.226 4.470 -0.522 0.000 0.254 701 S C 0.758 175.325 174.600 -0.055 0.000 1.299 701 S CA -0.233 57.972 58.200 0.008 0.000 0.974 701 S CB 0.739 64.007 63.200 0.112 0.000 1.001 701 S HN 0.673 nan 8.310 nan 0.000 0.584 702 I N 0.228 120.740 120.570 -0.097 0.000 3.860 702 I HA 0.146 4.002 4.170 -0.522 0.000 0.319 702 I C 0.967 176.930 176.117 -0.257 0.000 1.279 702 I CA 0.201 61.390 61.300 -0.184 0.000 1.220 702 I CB 0.052 37.962 38.000 -0.149 0.000 1.027 702 I HN 0.536 nan 8.210 nan 0.000 0.428 703 V N 0.162 119.941 119.914 -0.226 0.000 2.521 703 V HA -0.151 3.656 4.120 -0.522 0.000 0.239 703 V C 2.145 178.085 176.094 -0.256 0.000 1.053 703 V CA 1.401 63.513 62.300 -0.314 0.000 1.073 703 V CB -0.622 30.907 31.823 -0.491 0.000 0.746 703 V HN 0.424 nan 8.190 nan 0.000 0.476 704 Q N 0.883 120.545 119.800 -0.230 0.000 2.165 704 Q HA -0.353 3.673 4.340 -0.522 0.000 0.215 704 Q C 1.949 177.848 176.000 -0.168 0.000 1.010 704 Q CA 3.010 58.679 55.803 -0.223 0.000 0.896 704 Q CB -0.333 28.297 28.738 -0.179 0.000 0.956 704 Q HN 0.638 nan 8.270 nan 0.000 0.413 705 A N -0.192 122.543 122.820 -0.142 0.000 2.132 705 A HA 0.013 4.019 4.320 -0.522 0.000 0.213 705 A C 1.825 179.381 177.584 -0.046 0.000 1.154 705 A CA 0.490 52.486 52.037 -0.069 0.000 0.753 705 A CB -0.142 18.891 19.000 0.055 0.000 0.826 705 A HN 0.364 nan 8.150 nan 0.000 0.469 706 R N -0.717 119.715 120.500 -0.114 0.000 2.092 706 R HA -0.095 3.932 4.340 -0.522 0.000 0.231 706 R C 2.018 178.471 176.300 0.255 0.000 1.119 706 R CA 1.365 57.417 56.100 -0.081 0.000 0.970 706 R CB -0.666 29.365 30.300 -0.448 0.000 0.864 706 R HN 0.534 nan 8.270 nan 0.000 0.440 707 L N 0.885 122.308 121.223 0.334 0.000 1.899 707 L HA -0.165 3.861 4.340 -0.522 0.000 0.220 707 L C 2.127 179.036 176.870 0.065 0.000 1.091 707 L CA 1.657 56.669 54.840 0.286 0.000 0.781 707 L CB -0.858 41.383 42.059 0.303 0.000 0.886 707 L HN -0.116 nan 8.230 nan 0.000 0.430 708 V N 0.630 120.488 119.914 -0.094 0.000 2.353 708 V HA -0.279 3.528 4.120 -0.522 0.000 0.260 708 V C 1.614 177.614 176.094 -0.157 0.000 1.091 708 V CA 1.657 63.800 62.300 -0.262 0.000 1.088 708 V CB -2.217 29.202 31.823 -0.673 0.000 0.672 708 V HN 0.663 nan 8.190 nan 0.000 0.455 709 G N 1.249 110.018 108.800 -0.051 0.000 2.530 709 G HA2 0.502 4.149 3.960 -0.522 0.000 0.313 709 G HA3 0.502 4.149 3.960 -0.522 0.000 0.313 709 G C -0.646 174.300 174.900 0.076 0.000 0.971 709 G CA 0.030 45.189 45.100 0.098 0.000 1.237 709 G HN 0.262 nan 8.290 nan 0.000 0.446 710 L N 2.186 123.474 121.223 0.108 0.000 1.204 710 L HA -0.206 3.821 4.340 -0.522 0.000 0.352 710 L C 0.976 177.895 176.870 0.081 0.000 1.065 710 L CA -0.039 54.810 54.840 0.015 0.000 1.208 710 L CB -0.603 41.337 42.059 -0.199 0.000 0.257 710 L HN 0.923 nan 8.230 nan 0.000 0.094 711 V N 2.360 122.322 119.914 0.081 0.000 2.745 711 V HA -0.321 3.486 4.120 -0.522 0.000 0.150 711 V C 1.105 177.219 176.094 0.032 0.000 0.454 711 V CA 2.457 64.797 62.300 0.068 0.000 1.212 711 V CB -1.582 30.261 31.823 0.033 0.000 1.411 711 V HN 0.948 nan 8.190 nan 0.000 1.061 712 H N -3.496 115.603 119.070 0.048 0.000 2.040 712 H HA 0.083 4.326 4.556 -0.522 0.000 0.152 712 H C 1.246 176.630 175.328 0.093 0.000 0.955 712 H CA 0.740 56.807 56.048 0.032 0.000 0.849 712 H CB -0.212 29.537 29.762 -0.021 0.000 0.800 712 H HN 0.319 nan 8.280 nan 0.000 0.375 713 F N 1.798 121.805 119.950 0.094 0.000 2.171 713 F HA -0.122 4.092 4.527 -0.522 0.000 0.300 713 F C 2.203 178.117 175.800 0.191 0.000 1.090 713 F CA 1.904 59.896 58.000 -0.014 0.000 1.293 713 F CB 0.051 38.970 39.000 -0.136 0.000 1.013 713 F HN -0.011 nan 8.300 nan 0.000 0.486 714 S N -0.150 115.722 115.700 0.286 0.000 2.335 714 S HA -0.133 4.024 4.470 -0.522 0.000 0.217 714 S C 2.137 176.929 174.600 0.320 0.000 1.032 714 S CA 1.245 59.606 58.200 0.269 0.000 0.985 714 S CB -0.615 62.762 63.200 0.296 0.000 0.896 714 S HN 0.213 nan 8.310 nan 0.000 0.445 715 V N 1.949 122.031 119.914 0.281 0.000 2.214 715 V HA -0.221 3.585 4.120 -0.522 0.000 0.247 715 V C 2.660 178.973 176.094 0.366 0.000 1.051 715 V CA 2.126 64.638 62.300 0.354 0.000 1.003 715 V CB -1.785 30.156 31.823 0.197 0.000 0.635 715 V HN 0.584 nan 8.190 nan 0.000 0.447 716 G N -1.172 107.743 108.800 0.192 0.000 2.833 716 G HA2 -0.448 3.199 3.960 -0.522 0.000 0.226 716 G HA3 -0.448 3.199 3.960 -0.522 0.000 0.226 716 G C 1.464 176.507 174.900 0.238 0.000 1.228 716 G CA 1.996 47.189 45.100 0.156 0.000 0.779 716 G HN 0.563 nan 8.290 nan 0.000 0.651 717 Y N 1.093 121.466 120.300 0.121 0.000 2.040 717 Y HA -0.171 4.066 4.550 -0.522 0.000 0.275 717 Y C 2.581 178.530 175.900 0.082 0.000 1.171 717 Y CA 2.215 60.319 58.100 0.005 0.000 1.123 717 Y CB -0.404 38.050 38.460 -0.010 0.000 0.963 717 Y HN 0.235 nan 8.280 nan 0.000 0.493 718 I N -1.321 119.520 120.570 0.451 0.000 2.928 718 I HA -0.188 3.669 4.170 -0.522 0.000 0.266 718 I C 1.291 177.489 176.117 0.136 0.000 1.234 718 I CA 0.821 62.237 61.300 0.194 0.000 1.483 718 I CB -0.193 37.879 38.000 0.121 0.000 1.097 718 I HN 0.198 nan 8.210 nan 0.000 0.455 719 F N 0.093 120.150 119.950 0.177 0.000 2.776 719 F HA 0.003 4.217 4.527 -0.522 0.000 0.300 719 F C 2.147 178.104 175.800 0.261 0.000 1.116 719 F CA 0.710 58.850 58.000 0.234 0.000 1.375 719 F CB 0.143 39.353 39.000 0.350 0.000 1.109 719 F HN -0.009 nan 8.300 nan 0.000 0.585 720 T N -1.599 113.160 114.554 0.342 0.000 2.866 720 T HA -0.145 3.892 4.350 -0.522 0.000 0.250 720 T C 1.592 176.549 174.700 0.429 0.000 1.033 720 T CA 0.883 63.180 62.100 0.328 0.000 1.145 720 T CB -0.584 68.325 68.868 0.068 0.000 0.866 720 T HN 0.136 nan 8.240 nan 0.000 0.434 721 Y N 2.296 122.685 120.300 0.147 0.000 2.165 721 Y HA -0.042 4.195 4.550 -0.522 0.000 0.286 721 Y C 2.630 178.578 175.900 0.080 0.000 1.155 721 Y CA 0.672 58.866 58.100 0.157 0.000 1.164 721 Y CB -0.886 37.607 38.460 0.056 0.000 0.978 721 Y HN 0.206 nan 8.280 nan 0.000 0.513 722 A N 0.126 123.026 122.820 0.133 0.000 1.881 722 A HA -0.309 3.698 4.320 -0.522 0.000 0.219 722 A C 2.427 180.068 177.584 0.095 0.000 1.215 722 A CA 2.803 54.856 52.037 0.026 0.000 0.648 722 A CB -1.545 17.410 19.000 -0.074 0.000 0.832 722 A HN 0.519 nan 8.150 nan 0.000 0.455 723 A N -2.197 120.800 122.820 0.294 0.000 2.016 723 A HA 0.186 4.193 4.320 -0.522 0.000 0.217 723 A C 2.003 179.678 177.584 0.152 0.000 1.162 723 A CA 1.144 53.450 52.037 0.449 0.000 0.662 723 A CB -0.544 18.820 19.000 0.607 0.000 0.812 723 A HN 0.699 nan 8.150 nan 0.000 0.450 724 F N 1.345 121.267 119.950 -0.046 0.000 2.039 724 F HA -0.134 4.080 4.527 -0.522 0.000 0.294 724 F C 2.033 177.561 175.800 -0.453 0.000 1.130 724 F CA 1.745 59.559 58.000 -0.310 0.000 1.189 724 F CB -0.289 38.584 39.000 -0.210 0.000 0.983 724 F HN 0.242 nan 8.300 nan 0.000 0.471 725 L N 1.008 121.649 121.223 -0.970 0.000 1.971 725 L HA -0.192 3.835 4.340 -0.522 0.000 0.215 725 L C 2.156 178.571 176.870 -0.759 0.000 1.072 725 L CA 2.121 56.332 54.840 -1.049 0.000 0.758 725 L CB -1.753 39.629 42.059 -1.128 0.000 0.889 725 L HN 0.297 nan 8.230 nan 0.000 0.433 726 I N 0.933 121.042 120.570 -0.769 0.000 2.145 726 I HA -0.328 3.528 4.170 -0.522 0.000 0.244 726 I C 2.509 178.025 176.117 -1.002 0.000 1.075 726 I CA 1.599 62.294 61.300 -1.008 0.000 1.332 726 I CB -0.761 36.292 38.000 -1.579 0.000 1.033 726 I HN 0.482 nan 8.210 nan 0.000 0.410 727 A N -0.848 121.444 122.820 -0.879 0.000 2.250 727 A HA 0.086 4.093 4.320 -0.522 0.000 0.208 727 A C 1.751 179.020 177.584 -0.525 0.000 1.254 727 A CA 1.156 52.805 52.037 -0.648 0.000 0.858 727 A CB -0.304 18.476 19.000 -0.366 0.000 0.820 727 A HN 0.438 nan 8.150 nan 0.000 0.484 728 S N -2.513 112.848 115.700 -0.566 0.000 2.490 728 S HA 0.029 4.186 4.470 -0.522 0.000 0.280 728 S C 0.673 175.058 174.600 -0.359 0.000 1.048 728 S CA 0.027 57.946 58.200 -0.468 0.000 1.263 728 S CB 0.280 63.114 63.200 -0.610 0.000 1.053 728 S HN 0.353 nan 8.310 nan 0.000 0.538 729 T N 2.373 116.732 114.554 -0.324 0.000 4.098 729 T HA 0.512 4.549 4.350 -0.522 0.000 0.291 729 T C 0.379 174.917 174.700 -0.271 0.000 1.440 729 T CA 0.187 62.149 62.100 -0.230 0.000 1.164 729 T CB -0.192 68.612 68.868 -0.106 0.000 1.313 729 T HN 0.203 nan 8.240 nan 0.000 0.951 730 S N -0.329 115.205 115.700 -0.277 0.000 3.897 730 S HA 0.209 4.366 4.470 -0.522 0.000 0.214 730 S C 1.772 176.246 174.600 -0.209 0.000 1.102 730 S CA 0.014 58.075 58.200 -0.232 0.000 1.116 730 S CB -0.470 62.560 63.200 -0.284 0.000 1.288 730 S HN 0.606 nan 8.310 nan 0.000 0.458 731 G N 1.376 110.042 108.800 -0.223 0.000 2.572 731 G HA2 0.318 3.964 3.960 -0.522 0.000 0.144 731 G HA3 0.318 3.964 3.960 -0.522 0.000 0.144 731 G C 0.488 175.262 174.900 -0.210 0.000 1.747 731 G CA 1.748 46.730 45.100 -0.196 0.000 1.007 731 G HN 0.434 nan 8.290 nan 0.000 0.452 732 K N -2.734 117.522 120.400 -0.240 0.000 2.984 732 K HA 0.109 4.116 4.320 -0.522 0.000 0.291 732 K C 0.007 176.339 176.600 -0.447 0.000 2.811 732 K CA -0.072 56.078 56.287 -0.227 0.000 1.531 732 K CB -0.795 31.651 32.500 -0.091 0.000 3.041 732 K HN 0.334 nan 8.250 nan 0.000 0.327 733 F N 1.656 121.581 119.950 -0.041 0.000 2.055 733 F HA 0.050 4.263 4.527 -0.522 0.000 0.220 733 F C 0.792 176.584 175.800 -0.013 0.000 0.660 733 F CA 0.360 58.349 58.000 -0.018 0.000 0.879 733 F CB -0.663 38.345 39.000 0.013 0.000 0.811 733 F HN 0.205 nan 8.300 nan 0.000 0.644 734 G N 0.000 108.916 108.800 0.194 0.000 5.446 734 G HA2 0.000 3.647 3.960 -0.522 0.000 0.244 734 G HA3 0.000 3.647 3.960 -0.522 0.000 0.244 734 G CA 0.000 45.183 45.100 0.138 0.000 0.502 734 G HN 0.000 nan 8.290 nan 0.000 0.925