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 2p83_1_C DATA FIRST_RESID 1 DATA SEQUENCE EMVDNLRGKS GQGYYVEMTV GSPPQTLNIL VDTGSSNFAV GAAPHPFLHR DATA SEQUENCE YYQRQLSSTY RDLRKGVYVP YTQGKWEGEL GTDLVSIPHG PNVTVRANIA DATA SEQUENCE AITESDKFFI NGSNWEGILG LAYAEIARPD DSLEPFFDSL VKQTHVPNLF DATA SEQUENCE SLQLCGAXXX XXXXXXXASV GGSMIIGGID HSLYTGSLWY TPIRREWYYE DATA SEQUENCE VIIVRVEING QDLKMDCKEY NYDKSIVDSG TTNLRLPKKV FEAAVKSIKA DATA SEQUENCE ASSTEKFPDG FWLGEQLVCW QAGTTPWNIF PVISLYLMGE VTNQSFRITI DATA SEQUENCE LPQQYLRPVE XXXXXXDDCY KFAISQSSTG TVMGAVIMEG FYVVFDRARK DATA SEQUENCE RIGFAVSACH VHDEFRTAAV EGPFVTLDME DCGYNI 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.671 176.600 0.119 0.000 1.382 1 E CA 0.000 56.456 56.400 0.093 0.000 0.976 1 E CB 0.000 29.751 29.700 0.084 0.000 0.812 2 M N 0.802 120.461 119.600 0.099 0.000 2.461 2 M HA 0.180 4.660 4.480 0.000 0.000 0.255 2 M C 0.320 176.663 176.300 0.072 0.000 1.137 2 M CA 0.202 55.565 55.300 0.104 0.000 1.086 2 M CB 1.039 33.705 32.600 0.109 0.000 1.356 2 M HN -0.192 nan 8.290 nan 0.000 0.487 3 V N 2.785 122.732 119.914 0.055 0.000 2.644 3 V HA -0.147 3.973 4.120 0.000 0.000 0.305 3 V C 0.637 176.735 176.094 0.007 0.000 1.053 3 V CA 1.145 63.463 62.300 0.029 0.000 1.186 3 V CB 0.144 31.976 31.823 0.015 0.000 0.895 3 V HN 0.626 nan 8.190 nan 0.000 0.490 4 D N 2.958 123.358 120.400 -0.001 0.000 3.068 4 D HA -0.180 4.460 4.640 0.000 0.000 0.218 4 D C 0.939 177.209 176.300 -0.051 0.000 1.145 4 D CA 1.123 55.110 54.000 -0.022 0.000 0.896 4 D CB -0.961 39.820 40.800 -0.032 0.000 1.105 4 D HN 0.871 nan 8.370 nan 0.000 0.423 5 N N 0.086 118.769 118.700 -0.028 0.000 2.398 5 N HA 0.022 4.762 4.740 0.000 0.000 0.188 5 N C 0.518 176.016 175.510 -0.020 0.000 1.122 5 N CA 0.227 53.251 53.050 -0.045 0.000 0.866 5 N CB -0.045 38.466 38.487 0.040 0.000 0.970 5 N HN 0.403 nan 8.380 nan 0.000 0.462 6 L N 0.413 121.624 121.223 -0.019 0.000 2.325 6 L HA 0.538 4.878 4.340 0.000 0.000 0.278 6 L C 0.369 177.171 176.870 -0.113 0.000 1.023 6 L CA -0.779 54.041 54.840 -0.033 0.000 0.811 6 L CB 1.415 43.502 42.059 0.045 0.000 1.249 6 L HN -0.047 nan 8.230 nan 0.000 0.431 7 R N 1.006 121.279 120.500 -0.378 0.000 2.885 7 R HA 0.890 5.230 4.340 0.000 0.000 0.260 7 R C -0.644 175.076 176.300 -0.966 0.000 1.107 7 R CA -0.866 54.905 56.100 -0.548 0.000 0.978 7 R CB 1.963 32.005 30.300 -0.430 0.000 1.227 7 R HN 0.808 nan 8.270 nan 0.000 0.473 8 G N 0.409 108.827 108.800 -0.635 0.000 2.350 8 G HA2 0.128 4.088 3.960 0.000 0.000 0.305 8 G HA3 0.128 4.088 3.960 0.000 0.000 0.305 8 G C -1.771 173.024 174.900 -0.175 0.000 1.479 8 G CA -0.933 43.937 45.100 -0.384 0.000 0.949 8 G HN 0.233 nan 8.290 nan 0.000 0.651 9 K N 1.181 121.554 120.400 -0.045 0.000 2.185 9 K HA 0.659 4.979 4.320 0.000 0.000 0.269 9 K C 1.178 177.724 176.600 -0.090 0.000 0.987 9 K CA -0.109 56.148 56.287 -0.050 0.000 0.865 9 K CB 1.827 34.327 32.500 0.002 0.000 1.090 9 K HN 0.564 nan 8.250 nan 0.000 0.450 10 S N 2.104 117.748 115.700 -0.094 0.000 3.209 10 S HA -0.288 4.182 4.470 0.000 0.000 0.538 10 S C 1.433 175.994 174.600 -0.064 0.000 0.915 10 S CA 2.146 60.301 58.200 -0.075 0.000 3.391 10 S CB -0.721 62.458 63.200 -0.035 0.000 2.357 10 S HN 1.005 nan 8.310 nan 0.000 0.541 11 G N 0.383 109.173 108.800 -0.016 0.000 3.295 11 G HA2 0.202 4.162 3.960 0.000 0.000 0.231 11 G HA3 0.202 4.162 3.960 0.000 0.000 0.231 11 G C 0.538 175.458 174.900 0.033 0.000 1.277 11 G CA 0.008 45.117 45.100 0.014 0.000 1.013 11 G HN 0.663 nan 8.290 nan 0.000 0.509 12 Q N -0.062 119.759 119.800 0.035 0.000 2.179 12 Q HA 0.369 4.709 4.340 0.000 0.000 0.213 12 Q C 0.937 177.085 176.000 0.248 0.000 0.833 12 Q CA 0.035 55.916 55.803 0.130 0.000 0.990 12 Q CB 1.289 30.087 28.738 0.100 0.000 1.132 12 Q HN 0.447 nan 8.270 nan 0.000 0.493 13 G N 0.905 109.759 108.800 0.090 0.000 2.712 13 G HA2 -0.253 3.707 3.960 0.000 0.000 0.686 13 G HA3 -0.253 3.707 3.960 0.000 0.000 0.686 13 G C -1.192 173.675 174.900 -0.054 0.000 1.321 13 G CA -0.952 44.192 45.100 0.073 0.000 0.813 13 G HN 0.170 nan 8.290 nan 0.000 0.599 14 Y N 0.416 120.674 120.300 -0.070 0.000 2.323 14 Y HA 0.631 5.181 4.550 0.000 0.000 0.331 14 Y C 0.813 176.618 175.900 -0.158 0.000 1.092 14 Y CA -0.203 57.801 58.100 -0.159 0.000 1.150 14 Y CB 1.241 39.623 38.460 -0.130 0.000 1.200 14 Y HN 0.767 nan 8.280 nan 0.000 0.472 15 Y N 0.093 120.426 120.300 0.055 0.000 2.570 15 Y HA 0.821 5.371 4.550 0.000 0.000 0.345 15 Y C -1.496 174.421 175.900 0.028 0.000 1.014 15 Y CA -2.004 56.087 58.100 -0.014 0.000 1.063 15 Y CB 0.816 39.291 38.460 0.026 0.000 1.272 15 Y HN 0.411 nan 8.280 nan 0.000 0.477 16 V N 1.799 121.856 119.914 0.239 0.000 2.769 16 V HA 0.399 4.519 4.120 0.000 0.000 0.312 16 V C -0.689 175.520 176.094 0.191 0.000 1.061 16 V CA -0.866 61.534 62.300 0.167 0.000 0.931 16 V CB 1.736 33.585 31.823 0.043 0.000 1.010 16 V HN 0.990 nan 8.190 nan 0.000 0.433 17 E N 5.520 125.837 120.200 0.195 0.000 2.338 17 E HA 0.501 4.851 4.350 0.000 0.000 0.272 17 E C -0.765 175.884 176.600 0.082 0.000 1.029 17 E CA -0.169 56.325 56.400 0.156 0.000 0.872 17 E CB 0.902 30.723 29.700 0.201 0.000 1.015 17 E HN 0.693 nan 8.360 nan 0.000 0.417 18 M N 1.934 121.564 119.600 0.051 0.000 2.664 18 M HA 0.338 4.818 4.480 0.000 0.000 0.279 18 M C -0.964 175.349 176.300 0.022 0.000 1.275 18 M CA -0.931 54.376 55.300 0.011 0.000 0.829 18 M CB 2.605 35.193 32.600 -0.020 0.000 1.727 18 M HN 0.625 nan 8.290 nan 0.000 0.459 19 T N -0.338 114.225 114.554 0.015 0.000 2.886 19 T HA 0.816 5.166 4.350 0.000 0.000 0.292 19 T C -0.842 173.871 174.700 0.022 0.000 1.012 19 T CA -0.783 61.328 62.100 0.018 0.000 0.982 19 T CB 1.479 70.358 68.868 0.018 0.000 1.018 19 T HN 0.689 nan 8.240 nan 0.000 0.451 20 V N -0.727 119.186 119.914 -0.002 0.000 2.735 20 V HA 0.999 5.119 4.120 0.000 0.000 0.310 20 V C 0.550 176.677 176.094 0.055 0.000 1.061 20 V CA 0.051 62.334 62.300 -0.029 0.000 0.913 20 V CB 0.629 32.277 31.823 -0.292 0.000 1.005 20 V HN 2.025 nan 8.190 nan 0.000 0.428 21 G N 3.094 111.961 108.800 0.112 0.000 2.829 21 G HA2 0.042 4.002 3.960 0.000 0.000 0.628 21 G HA3 0.042 4.002 3.960 0.000 0.000 0.628 21 G C -0.349 174.620 174.900 0.115 0.000 1.412 21 G CA -0.260 44.943 45.100 0.172 0.000 0.864 21 G HN 1.817 nan 8.290 nan 0.000 0.544 22 S N 2.704 118.471 115.700 0.112 0.000 2.596 22 S HA 0.698 5.168 4.470 0.000 0.000 0.318 22 S C -1.980 172.659 174.600 0.065 0.000 1.097 22 S CA -0.677 57.569 58.200 0.075 0.000 1.080 22 S CB 2.534 65.775 63.200 0.067 0.000 0.991 22 S HN 0.809 nan 8.310 nan 0.000 0.471 23 P HA 0.287 nan 4.420 nan 0.000 0.274 23 P C -2.926 174.403 177.300 0.048 0.000 1.246 23 P CA -1.833 61.291 63.100 0.040 0.000 0.795 23 P CB -0.739 30.976 31.700 0.026 0.000 1.006 24 P HA 0.054 nan 4.420 nan 0.000 0.258 24 P C -0.374 176.946 177.300 0.034 0.000 1.187 24 P CA 0.867 63.990 63.100 0.037 0.000 0.767 24 P CB -0.049 31.666 31.700 0.024 0.000 0.770 25 Q N 1.994 121.821 119.800 0.045 0.000 2.314 25 Q HA 0.274 4.614 4.340 0.000 0.000 0.259 25 Q C -0.207 175.807 176.000 0.022 0.000 0.951 25 Q CA -0.355 55.472 55.803 0.039 0.000 0.909 25 Q CB 1.032 29.822 28.738 0.085 0.000 1.236 25 Q HN 0.336 nan 8.270 nan 0.000 0.444 26 T N 4.163 118.726 114.554 0.015 0.000 2.780 26 T HA 0.485 4.835 4.350 0.000 0.000 0.294 26 T C -0.248 174.462 174.700 0.015 0.000 0.949 26 T CA -0.199 61.912 62.100 0.017 0.000 1.074 26 T CB 0.223 69.103 68.868 0.020 0.000 0.910 26 T HN 0.329 nan 8.240 nan 0.000 0.501 27 L N 3.387 124.623 121.223 0.021 0.000 2.409 27 L HA 0.494 4.834 4.340 0.000 0.000 0.262 27 L C -0.299 176.591 176.870 0.033 0.000 0.992 27 L CA -1.255 53.599 54.840 0.022 0.000 0.817 27 L CB 2.023 44.094 42.059 0.020 0.000 1.350 27 L HN 0.424 nan 8.230 nan 0.000 0.411 28 N N 3.064 121.767 118.700 0.006 0.000 2.408 28 N HA 0.414 5.154 4.740 0.000 0.000 0.257 28 N C -0.887 174.670 175.510 0.078 0.000 1.064 28 N CA -0.276 52.757 53.050 -0.029 0.000 0.952 28 N CB 1.359 39.627 38.487 -0.365 0.000 1.093 28 N HN 0.295 nan 8.380 nan 0.000 0.490 29 I N 2.464 123.100 120.570 0.110 0.000 2.378 29 I HA 0.293 4.463 4.170 0.000 0.000 0.291 29 I C 0.529 176.635 176.117 -0.019 0.000 0.992 29 I CA -0.873 60.472 61.300 0.074 0.000 1.154 29 I CB 1.375 39.435 38.000 0.099 0.000 1.315 29 I HN 0.280 nan 8.210 nan 0.000 0.448 30 L N 6.682 127.728 121.223 -0.294 0.000 2.462 30 L HA 0.200 4.540 4.340 0.000 0.000 0.272 30 L C -0.260 176.455 176.870 -0.257 0.000 1.166 30 L CA -0.157 54.386 54.840 -0.496 0.000 0.880 30 L CB 0.828 42.165 42.059 -1.203 0.000 1.142 30 L HN 0.311 nan 8.230 nan 0.000 0.473 31 V N 4.847 124.662 119.914 -0.166 0.000 2.427 31 V HA 0.143 4.263 4.120 0.000 0.000 0.268 31 V C -0.251 175.761 176.094 -0.137 0.000 1.046 31 V CA -0.069 62.143 62.300 -0.146 0.000 0.970 31 V CB 0.989 32.742 31.823 -0.117 0.000 1.001 31 V HN 0.695 nan 8.190 nan 0.000 0.476 32 D N 3.255 123.579 120.400 -0.126 0.000 2.473 32 D HA 0.243 4.883 4.640 0.000 0.000 0.253 32 D C 0.945 177.224 176.300 -0.036 0.000 1.233 32 D CA -0.256 53.704 54.000 -0.067 0.000 0.908 32 D CB 1.801 42.577 40.800 -0.040 0.000 1.170 32 D HN 0.569 nan 8.370 nan 0.000 0.558 33 T N -0.037 114.501 114.554 -0.028 0.000 3.169 33 T HA 0.203 4.553 4.350 0.000 0.000 0.250 33 T C 1.434 176.257 174.700 0.204 0.000 1.111 33 T CA 0.209 62.339 62.100 0.050 0.000 1.010 33 T CB 0.240 69.025 68.868 -0.138 0.000 0.984 33 T HN 0.292 nan 8.240 nan 0.000 0.537 34 G N 0.828 109.720 108.800 0.152 0.000 3.126 34 G HA2 0.435 4.395 3.960 0.000 0.000 0.224 34 G HA3 0.435 4.395 3.960 0.000 0.000 0.224 34 G C 0.346 175.365 174.900 0.199 0.000 1.142 34 G CA 0.150 45.378 45.100 0.212 0.000 0.759 34 G HN 0.756 nan 8.290 nan 0.000 0.550 35 S N -1.850 113.928 115.700 0.130 0.000 2.705 35 S HA 0.650 5.120 4.470 0.000 0.000 0.280 35 S C -0.154 174.473 174.600 0.046 0.000 1.174 35 S CA -0.320 57.941 58.200 0.102 0.000 0.823 35 S CB 1.798 65.181 63.200 0.306 0.000 1.162 35 S HN -0.055 nan 8.310 nan 0.000 0.487 36 S N 0.154 115.877 115.700 0.040 0.000 2.937 36 S HA 0.392 4.862 4.470 0.000 0.000 0.252 36 S C -0.671 174.003 174.600 0.123 0.000 1.022 36 S CA -0.481 57.749 58.200 0.049 0.000 1.079 36 S CB -0.437 62.764 63.200 0.000 0.000 1.035 36 S HN 0.659 nan 8.310 nan 0.000 0.594 37 N N 1.356 120.169 118.700 0.189 0.000 2.400 37 N HA 0.471 5.211 4.740 0.000 0.000 0.288 37 N C -1.343 174.371 175.510 0.340 0.000 1.024 37 N CA -0.428 52.783 53.050 0.269 0.000 0.894 37 N CB 1.064 39.756 38.487 0.343 0.000 1.173 37 N HN 0.311 nan 8.380 nan 0.000 0.487 38 F N 2.404 122.431 119.950 0.128 0.000 2.371 38 F HA 0.676 5.203 4.527 0.000 0.000 0.363 38 F C -0.343 175.459 175.800 0.003 0.000 1.122 38 F CA -0.598 57.434 58.000 0.054 0.000 1.129 38 F CB 0.306 39.345 39.000 0.065 0.000 1.173 38 F HN 0.456 nan 8.300 nan 0.000 0.489 39 A N 5.382 127.993 122.820 -0.348 0.000 2.498 39 A HA 0.827 5.147 4.320 0.000 0.000 0.298 39 A C -1.415 175.831 177.584 -0.565 0.000 1.075 39 A CA -0.498 51.169 52.037 -0.616 0.000 0.714 39 A CB 1.896 20.305 19.000 -0.985 0.000 1.299 39 A HN 1.079 nan 8.150 nan 0.000 0.407 40 V N -1.168 118.459 119.914 -0.479 0.000 2.932 40 V HA 0.859 4.979 4.120 0.000 0.000 0.307 40 V C 0.264 176.348 176.094 -0.016 0.000 1.147 40 V CA -0.221 61.962 62.300 -0.195 0.000 0.951 40 V CB 1.067 32.718 31.823 -0.285 0.000 1.031 40 V HN 1.897 nan 8.190 nan 0.000 0.426 41 G N 1.901 110.817 108.800 0.194 0.000 2.321 41 G HA2 0.518 4.478 3.960 0.000 0.000 0.237 41 G HA3 0.518 4.478 3.960 0.000 0.000 0.237 41 G C 0.576 175.566 174.900 0.150 0.000 1.282 41 G CA 0.218 45.437 45.100 0.197 0.000 0.886 41 G HN 2.149 nan 8.290 nan 0.000 0.528 42 A N 1.131 123.993 122.820 0.071 0.000 2.592 42 A HA 0.780 5.100 4.320 0.000 0.000 0.290 42 A C 0.576 178.076 177.584 -0.140 0.000 0.998 42 A CA 0.785 52.866 52.037 0.074 0.000 0.983 42 A CB 0.082 19.095 19.000 0.021 0.000 1.240 42 A HN 2.004 nan 8.150 nan 0.000 0.535 43 A N 0.459 123.010 122.820 -0.449 0.000 2.612 43 A HA 0.789 5.109 4.320 0.000 0.000 0.293 43 A C -3.243 173.754 177.584 -0.980 0.000 1.075 43 A CA -1.376 50.220 52.037 -0.736 0.000 0.680 43 A CB 0.872 19.697 19.000 -0.291 0.000 1.279 43 A HN 0.043 nan 8.150 nan 0.000 0.411 44 P HA 0.194 nan 4.420 nan 0.000 0.267 44 P C -0.917 176.257 177.300 -0.209 0.000 1.201 44 P CA 0.653 63.466 63.100 -0.479 0.000 0.775 44 P CB 0.369 31.934 31.700 -0.225 0.000 0.854 45 H N 1.464 120.391 119.070 -0.238 0.000 3.123 45 H HA 0.178 4.734 4.556 0.000 0.000 0.346 45 H C -2.279 172.926 175.328 -0.204 0.000 1.138 45 H CA -1.315 54.592 56.048 -0.235 0.000 1.273 45 H CB 1.742 31.316 29.762 -0.313 0.000 1.926 45 H HN 0.055 nan 8.280 nan 0.000 0.524 46 P HA -0.082 nan 4.420 nan 0.000 0.218 46 P C 0.807 178.248 177.300 0.235 0.000 1.146 46 P CA 1.485 64.456 63.100 -0.215 0.000 0.820 46 P CB -0.029 31.360 31.700 -0.517 0.000 0.778 47 F N -2.148 117.935 119.950 0.221 0.000 2.641 47 F HA 0.226 4.753 4.527 0.000 0.000 0.302 47 F C 0.727 176.307 175.800 -0.367 0.000 1.098 47 F CA -0.660 57.302 58.000 -0.065 0.000 1.318 47 F CB 0.336 39.318 39.000 -0.030 0.000 1.035 47 F HN -0.219 nan 8.300 nan 0.000 0.551 48 L N 0.593 121.733 121.223 -0.140 0.000 2.322 48 L HA 0.344 4.684 4.340 0.000 0.000 0.281 48 L C 0.839 177.600 176.870 -0.181 0.000 1.014 48 L CA -0.746 53.907 54.840 -0.312 0.000 0.815 48 L CB 1.396 43.261 42.059 -0.324 0.000 1.247 48 L HN 0.096 nan 8.230 nan 0.000 0.421 49 H N 2.652 121.699 119.070 -0.038 0.000 2.465 49 H HA 0.124 4.680 4.556 0.000 0.000 0.289 49 H C 0.221 175.541 175.328 -0.013 0.000 1.022 49 H CA 0.518 56.554 56.048 -0.020 0.000 1.340 49 H CB 0.425 30.160 29.762 -0.044 0.000 1.437 49 H HN 0.532 nan 8.280 nan 0.000 0.539 50 R N -0.285 120.263 120.500 0.080 0.000 2.740 50 R HA 0.467 4.807 4.340 0.000 0.000 0.273 50 R C -1.649 174.680 176.300 0.048 0.000 0.998 50 R CA -1.022 55.077 56.100 -0.002 0.000 0.900 50 R CB 1.877 32.162 30.300 -0.026 0.000 1.223 50 R HN 0.022 nan 8.270 nan 0.000 0.466 51 Y N -1.463 118.825 120.300 -0.020 0.000 2.588 51 Y HA 0.423 4.973 4.550 0.000 0.000 0.343 51 Y C -1.273 174.663 175.900 0.060 0.000 1.065 51 Y CA -1.896 56.200 58.100 -0.008 0.000 1.038 51 Y CB 0.712 39.146 38.460 -0.045 0.000 1.297 51 Y HN 0.608 nan 8.280 nan 0.000 0.467 52 Y N 3.088 123.446 120.300 0.097 0.000 2.770 52 Y HA 0.161 4.711 4.550 0.000 0.000 0.342 52 Y C -0.377 175.537 175.900 0.024 0.000 1.221 52 Y CA -0.266 57.838 58.100 0.006 0.000 1.560 52 Y CB 0.427 38.869 38.460 -0.031 0.000 1.213 52 Y HN 0.731 nan 8.280 nan 0.000 0.525 53 Q N 7.389 127.118 119.800 -0.119 0.000 2.509 53 Q HA 0.231 4.571 4.340 0.000 0.000 0.230 53 Q C 1.047 176.773 176.000 -0.457 0.000 1.089 53 Q CA -0.384 55.263 55.803 -0.260 0.000 0.901 53 Q CB 0.763 29.392 28.738 -0.181 0.000 1.208 53 Q HN 0.796 nan 8.270 nan 0.000 0.529 54 R N 1.006 121.029 120.500 -0.796 0.000 2.127 54 R HA -0.239 4.101 4.340 0.000 0.000 0.238 54 R C 1.516 177.573 176.300 -0.405 0.000 1.134 54 R CA 1.573 57.136 56.100 -0.896 0.000 0.975 54 R CB 0.159 29.659 30.300 -1.333 0.000 0.865 54 R HN 0.534 nan 8.270 nan 0.000 0.447 55 Q N 0.690 120.339 119.800 -0.250 0.000 2.061 55 Q HA -0.130 4.210 4.340 0.000 0.000 0.204 55 Q C 1.749 177.718 176.000 -0.051 0.000 0.984 55 Q CA 1.284 57.028 55.803 -0.099 0.000 0.846 55 Q CB -0.335 28.362 28.738 -0.069 0.000 0.902 55 Q HN 0.350 nan 8.270 nan 0.000 0.421 56 L N 0.195 121.378 121.223 -0.068 0.000 2.675 56 L HA 0.122 4.462 4.340 0.000 0.000 0.238 56 L C 0.523 177.401 176.870 0.013 0.000 1.155 56 L CA -0.144 54.681 54.840 -0.025 0.000 0.881 56 L CB -0.199 41.839 42.059 -0.036 0.000 1.008 56 L HN -0.013 nan 8.230 nan 0.000 0.443 57 S N -0.584 115.135 115.700 0.031 0.000 2.498 57 S HA 0.255 4.725 4.470 0.000 0.000 0.317 57 S C 1.090 175.768 174.600 0.131 0.000 1.090 57 S CA -0.465 57.797 58.200 0.103 0.000 1.089 57 S CB 1.478 64.784 63.200 0.177 0.000 0.997 57 S HN 0.300 nan 8.310 nan 0.000 0.470 58 S N 2.853 118.614 115.700 0.103 0.000 2.489 58 S HA -0.069 4.401 4.470 0.000 0.000 0.228 58 S C 1.437 176.096 174.600 0.098 0.000 0.995 58 S CA 1.018 59.272 58.200 0.089 0.000 0.934 58 S CB -0.677 62.558 63.200 0.059 0.000 0.771 58 S HN 0.842 nan 8.310 nan 0.000 0.522 59 T N -2.131 112.497 114.554 0.124 0.000 3.107 59 T HA 0.193 4.543 4.350 0.000 0.000 0.249 59 T C 0.313 175.101 174.700 0.146 0.000 1.096 59 T CA -0.497 61.669 62.100 0.110 0.000 1.012 59 T CB -0.724 68.205 68.868 0.101 0.000 0.977 59 T HN 0.439 nan 8.240 nan 0.000 0.527 60 Y N 3.351 123.702 120.300 0.084 0.000 2.526 60 Y HA 0.383 4.933 4.550 0.000 0.000 0.330 60 Y C 0.087 176.027 175.900 0.066 0.000 1.156 60 Y CA -1.148 57.011 58.100 0.099 0.000 1.419 60 Y CB 0.322 38.833 38.460 0.085 0.000 1.250 60 Y HN 0.050 nan 8.280 nan 0.000 0.540 61 R N 4.991 125.050 120.500 -0.734 0.000 2.561 61 R HA 0.209 4.549 4.340 0.000 0.000 0.297 61 R C -1.338 174.439 176.300 -0.871 0.000 0.969 61 R CA -1.046 54.642 56.100 -0.686 0.000 0.879 61 R CB 1.372 31.520 30.300 -0.254 0.000 1.178 61 R HN 0.665 nan 8.270 nan 0.000 0.445 62 D N 2.881 122.871 120.400 -0.684 0.000 2.256 62 D HA 0.125 4.765 4.640 0.000 0.000 0.250 62 D C 0.449 176.688 176.300 -0.103 0.000 1.093 62 D CA -0.167 53.669 54.000 -0.273 0.000 0.882 62 D CB 1.418 42.177 40.800 -0.069 0.000 1.185 62 D HN 0.465 nan 8.370 nan 0.000 0.437 63 L N 3.360 124.579 121.223 -0.007 0.000 2.640 63 L HA 0.209 4.549 4.340 0.000 0.000 0.230 63 L C 0.797 177.685 176.870 0.029 0.000 1.123 63 L CA -0.239 54.609 54.840 0.012 0.000 0.900 63 L CB 0.043 42.127 42.059 0.040 0.000 1.146 63 L HN 0.348 nan 8.230 nan 0.000 0.484 64 R N 1.239 121.762 120.500 0.039 0.000 3.251 64 R HA -0.178 4.162 4.340 0.000 0.000 0.249 64 R C -0.604 175.724 176.300 0.047 0.000 0.949 64 R CA 0.770 56.896 56.100 0.043 0.000 0.645 64 R CB -1.959 28.357 30.300 0.026 0.000 1.065 64 R HN 0.407 nan 8.270 nan 0.000 0.452 65 K N -0.515 119.923 120.400 0.064 0.000 2.527 65 K HA 0.460 4.780 4.320 0.000 0.000 0.260 65 K C 0.219 176.869 176.600 0.083 0.000 0.937 65 K CA -0.329 55.997 56.287 0.065 0.000 0.826 65 K CB 2.429 34.966 32.500 0.062 0.000 1.359 65 K HN 0.197 nan 8.250 nan 0.000 0.434 66 G N 0.527 109.373 108.800 0.076 0.000 2.451 66 G HA2 0.578 4.538 3.960 0.000 0.000 0.303 66 G HA3 0.578 4.538 3.960 0.000 0.000 0.303 66 G C -1.174 173.794 174.900 0.114 0.000 1.166 66 G CA -0.399 44.757 45.100 0.094 0.000 0.884 66 G HN 0.299 nan 8.290 nan 0.000 0.514 67 V N 0.770 120.782 119.914 0.162 0.000 3.087 67 V HA 0.801 4.921 4.120 0.000 0.000 0.306 67 V C -2.113 174.096 176.094 0.192 0.000 1.187 67 V CA -0.885 61.517 62.300 0.170 0.000 0.999 67 V CB 2.198 34.160 31.823 0.231 0.000 1.049 67 V HN 0.960 nan 8.190 nan 0.000 0.431 68 Y N 4.069 124.273 120.300 -0.160 0.000 2.442 68 Y HA 0.758 5.308 4.550 0.000 0.000 0.330 68 Y C -1.737 173.780 175.900 -0.638 0.000 1.100 68 Y CA -0.789 57.091 58.100 -0.366 0.000 1.034 68 Y CB 2.100 40.434 38.460 -0.211 0.000 1.285 68 Y HN 0.466 nan 8.280 nan 0.000 0.440 69 V N 8.665 127.521 119.914 -1.765 0.000 2.409 69 V HA 0.517 4.637 4.120 0.000 0.000 0.290 69 V C -2.607 172.463 176.094 -1.708 0.000 1.017 69 V CA -1.533 59.725 62.300 -1.737 0.000 0.841 69 V CB 2.018 32.779 31.823 -1.771 0.000 1.003 69 V HN 0.649 nan 8.190 nan 0.000 0.426 70 P HA 0.481 nan 4.420 nan 0.000 0.303 70 P C -1.471 175.511 177.300 -0.530 0.000 1.370 70 P CA -0.416 62.237 63.100 -0.745 0.000 0.854 70 P CB 1.059 32.484 31.700 -0.457 0.000 0.946 71 Y N 0.316 120.502 120.300 -0.191 0.000 2.565 71 Y HA 0.265 4.815 4.550 -0.000 0.000 0.325 71 Y C 2.421 178.308 175.900 -0.023 0.000 1.221 71 Y CA -0.302 57.756 58.100 -0.071 0.000 1.316 71 Y CB 0.052 38.519 38.460 0.011 0.000 1.404 71 Y HN 0.192 nan 8.280 nan 0.000 0.527 72 T N -0.516 114.150 114.554 0.187 0.000 2.652 72 T HA -0.245 4.105 4.350 0.000 0.000 0.267 72 T C 1.713 176.479 174.700 0.110 0.000 1.039 72 T CA 1.959 64.120 62.100 0.100 0.000 1.153 72 T CB -0.205 68.704 68.868 0.068 0.000 0.863 72 T HN 0.562 nan 8.240 nan 0.000 0.428 73 Q N 1.459 121.343 119.800 0.139 0.000 1.917 73 Q HA 0.139 4.479 4.340 0.000 0.000 0.205 73 Q C 1.195 177.289 176.000 0.157 0.000 0.988 73 Q CA 1.881 57.759 55.803 0.125 0.000 0.851 73 Q CB -0.869 27.932 28.738 0.105 0.000 0.916 73 Q HN 0.503 nan 8.270 nan 0.000 0.424 74 G N -1.122 107.816 108.800 0.231 0.000 3.166 74 G HA2 0.650 4.610 3.960 0.000 0.000 0.267 74 G HA3 0.650 4.610 3.960 0.000 0.000 0.267 74 G C -1.477 173.588 174.900 0.276 0.000 1.256 74 G CA -0.294 44.954 45.100 0.247 0.000 0.859 74 G HN 0.375 nan 8.290 nan 0.000 0.590 75 K N -1.176 119.360 120.400 0.226 0.000 2.597 75 K HA 0.488 4.808 4.320 0.000 0.000 0.282 75 K C -1.538 175.074 176.600 0.020 0.000 0.975 75 K CA -1.050 55.244 56.287 0.013 0.000 0.867 75 K CB 1.936 34.444 32.500 0.013 0.000 1.465 75 K HN 0.858 nan 8.250 nan 0.000 0.417 76 W N 0.662 121.871 121.300 -0.152 0.000 2.975 76 W HA 0.662 5.322 4.660 -0.000 0.000 0.342 76 W C -1.386 175.140 176.519 0.013 0.000 1.168 76 W CA -0.692 56.553 57.345 -0.167 0.000 1.141 76 W CB 1.351 30.494 29.460 -0.529 0.000 1.445 76 W HN 0.780 nan 8.180 nan 0.000 0.560 77 E N 0.354 120.871 120.200 0.529 0.000 2.238 77 E HA 0.656 5.006 4.350 0.000 0.000 0.267 77 E C -0.481 176.402 176.600 0.473 0.000 0.887 77 E CA -0.553 56.112 56.400 0.442 0.000 0.769 77 E CB 2.502 32.342 29.700 0.234 0.000 1.187 77 E HN 0.774 nan 8.360 nan 0.000 0.416 78 G N 1.969 111.020 108.800 0.417 0.000 2.606 78 G HA2 0.321 4.281 3.960 0.000 0.000 0.300 78 G HA3 0.321 4.281 3.960 0.000 0.000 0.300 78 G C -1.482 173.535 174.900 0.196 0.000 1.360 78 G CA -0.723 44.534 45.100 0.261 0.000 0.783 78 G HN 0.473 nan 8.290 nan 0.000 0.484 79 E N 0.014 120.294 120.200 0.134 0.000 2.158 79 E HA 0.474 4.824 4.350 0.000 0.000 0.271 79 E C -0.520 176.167 176.600 0.145 0.000 0.911 79 E CA -0.537 55.939 56.400 0.128 0.000 0.767 79 E CB 2.569 32.332 29.700 0.105 0.000 1.120 79 E HN 0.265 nan 8.360 nan 0.000 0.405 80 L N 2.321 123.632 121.223 0.147 0.000 2.371 80 L HA 0.620 4.960 4.340 0.000 0.000 0.272 80 L C 0.680 177.650 176.870 0.166 0.000 1.124 80 L CA -0.014 54.916 54.840 0.149 0.000 0.816 80 L CB 0.956 43.091 42.059 0.127 0.000 1.129 80 L HN 0.715 nan 8.230 nan 0.000 0.448 81 G N 0.626 109.541 108.800 0.192 0.000 2.619 81 G HA2 0.615 4.575 3.960 0.000 0.000 0.305 81 G HA3 0.615 4.575 3.960 0.000 0.000 0.305 81 G C -1.236 173.772 174.900 0.179 0.000 1.330 81 G CA -0.023 45.191 45.100 0.191 0.000 0.789 81 G HN 0.574 nan 8.290 nan 0.000 0.487 82 T N -2.279 112.357 114.554 0.136 0.000 2.883 82 T HA 0.785 5.135 4.350 0.000 0.000 0.296 82 T C -1.542 173.279 174.700 0.202 0.000 1.117 82 T CA -0.573 61.616 62.100 0.149 0.000 1.006 82 T CB 2.945 71.857 68.868 0.074 0.000 1.191 82 T HN 0.758 nan 8.240 nan 0.000 0.508 83 D N -0.480 120.037 120.400 0.195 0.000 2.764 83 D HA 0.253 4.893 4.640 0.000 0.000 0.293 83 D C -1.192 175.202 176.300 0.158 0.000 1.287 83 D CA -0.623 53.501 54.000 0.207 0.000 0.768 83 D CB 1.398 42.384 40.800 0.311 0.000 1.288 83 D HN 0.720 nan 8.370 nan 0.000 0.426 84 L N 1.132 122.435 121.223 0.134 0.000 2.319 84 L HA 0.484 4.824 4.340 0.000 0.000 0.280 84 L C 0.010 176.951 176.870 0.119 0.000 1.099 84 L CA -0.622 54.282 54.840 0.106 0.000 0.828 84 L CB 1.071 43.177 42.059 0.079 0.000 1.150 84 L HN 0.076 nan 8.230 nan 0.000 0.442 85 V N 2.407 122.405 119.914 0.141 0.000 2.628 85 V HA 0.560 4.680 4.120 0.000 0.000 0.306 85 V C -0.060 176.107 176.094 0.121 0.000 1.045 85 V CA -0.352 62.044 62.300 0.159 0.000 0.905 85 V CB 2.015 34.011 31.823 0.289 0.000 0.997 85 V HN 0.843 nan 8.190 nan 0.000 0.436 86 S N 3.646 119.385 115.700 0.065 0.000 2.564 86 S HA 0.726 5.196 4.470 0.000 0.000 0.274 86 S C -0.854 173.749 174.600 0.005 0.000 1.124 86 S CA -0.513 57.712 58.200 0.042 0.000 0.869 86 S CB 1.877 65.093 63.200 0.027 0.000 1.105 86 S HN 0.551 nan 8.310 nan 0.000 0.472 87 I N 2.860 123.434 120.570 0.007 0.000 2.464 87 I HA 0.284 4.454 4.170 0.000 0.000 0.277 87 I C -2.058 174.050 176.117 -0.014 0.000 1.040 87 I CA -2.166 59.131 61.300 -0.004 0.000 1.153 87 I CB 1.698 39.701 38.000 0.005 0.000 1.274 87 I HN 0.380 nan 8.210 nan 0.000 0.469 88 P HA -0.216 nan 4.420 nan 0.000 0.217 88 P C 0.728 177.857 177.300 -0.285 0.000 1.162 88 P CA 1.671 64.658 63.100 -0.188 0.000 0.901 88 P CB 0.040 31.605 31.700 -0.226 0.000 0.793 89 H N -1.426 117.664 119.070 0.033 0.000 2.577 89 H HA 0.446 5.002 4.556 -0.000 0.000 0.306 89 H C 1.060 176.411 175.328 0.039 0.000 1.109 89 H CA 0.140 56.210 56.048 0.036 0.000 1.063 89 H CB -0.224 29.562 29.762 0.040 0.000 1.535 89 H HN 0.141 nan 8.280 nan 0.000 0.532 90 G N 1.128 109.982 108.800 0.089 0.000 3.262 90 G HA2 0.327 4.287 3.960 0.000 0.000 0.229 90 G HA3 0.327 4.287 3.960 0.000 0.000 0.229 90 G C -2.519 172.419 174.900 0.064 0.000 1.280 90 G CA -1.316 43.835 45.100 0.084 0.000 0.951 90 G HN -0.064 nan 8.290 nan 0.000 0.589 91 P HA 0.109 nan 4.420 nan 0.000 0.272 91 P C -0.755 176.564 177.300 0.032 0.000 1.230 91 P CA -0.393 62.738 63.100 0.050 0.000 0.788 91 P CB 0.741 32.471 31.700 0.051 0.000 0.949 92 N N 1.009 119.725 118.700 0.026 0.000 2.819 92 N HA 0.202 4.942 4.740 0.000 0.000 0.284 92 N C -0.061 175.457 175.510 0.013 0.000 1.196 92 N CA 0.163 53.223 53.050 0.016 0.000 1.114 92 N CB -0.307 38.189 38.487 0.016 0.000 1.437 92 N HN 0.272 nan 8.380 nan 0.000 0.518 93 V N -1.532 118.388 119.914 0.010 0.000 3.147 93 V HA 0.681 4.801 4.120 0.000 0.000 0.306 93 V C -0.286 175.811 176.094 0.005 0.000 1.209 93 V CA -0.738 61.562 62.300 -0.001 0.000 1.023 93 V CB 2.273 34.084 31.823 -0.020 0.000 1.059 93 V HN 0.123 nan 8.190 nan 0.000 0.435 94 T N 2.251 116.802 114.554 -0.005 0.000 2.881 94 T HA 0.777 5.127 4.350 0.000 0.000 0.290 94 T C -0.550 174.141 174.700 -0.014 0.000 1.000 94 T CA -0.268 61.837 62.100 0.010 0.000 0.978 94 T CB 1.443 70.320 68.868 0.014 0.000 0.997 94 T HN 1.728 nan 8.240 nan 0.000 0.443 95 V N 1.193 121.105 119.914 -0.004 0.000 2.962 95 V HA 0.758 4.878 4.120 0.000 0.000 0.313 95 V C -0.560 175.533 176.094 -0.001 0.000 1.099 95 V CA -1.516 60.751 62.300 -0.054 0.000 0.971 95 V CB 2.076 33.789 31.823 -0.183 0.000 1.028 95 V HN 0.841 nan 8.190 nan 0.000 0.430 96 R N 2.066 122.555 120.500 -0.019 0.000 2.221 96 R HA 0.806 5.146 4.340 0.000 0.000 0.327 96 R C -0.281 176.032 176.300 0.023 0.000 1.033 96 R CA 0.376 56.492 56.100 0.027 0.000 0.887 96 R CB 0.942 31.251 30.300 0.016 0.000 1.057 96 R HN 1.279 nan 8.270 nan 0.000 0.455 97 A N 3.938 126.821 122.820 0.106 0.000 2.479 97 A HA 0.403 4.723 4.320 0.000 0.000 0.296 97 A C -1.083 176.628 177.584 0.211 0.000 1.121 97 A CA -1.071 51.049 52.037 0.138 0.000 0.743 97 A CB 1.314 20.450 19.000 0.228 0.000 1.323 97 A HN 0.876 nan 8.150 nan 0.000 0.415 98 N N -0.194 118.633 118.700 0.211 0.000 2.513 98 N HA 0.482 5.222 4.740 0.000 0.000 0.268 98 N C -0.964 174.716 175.510 0.283 0.000 1.180 98 N CA 0.476 53.651 53.050 0.208 0.000 0.948 98 N CB 0.627 39.216 38.487 0.170 0.000 1.083 98 N HN 0.499 nan 8.380 nan 0.000 0.455 99 I N 1.118 121.801 120.570 0.189 0.000 2.498 99 I HA 0.416 4.586 4.170 0.000 0.000 0.290 99 I C -0.551 175.577 176.117 0.018 0.000 1.032 99 I CA -1.045 60.278 61.300 0.038 0.000 1.073 99 I CB 1.951 39.942 38.000 -0.015 0.000 1.251 99 I HN 0.474 nan 8.210 nan 0.000 0.426 100 A N 5.135 127.885 122.820 -0.118 0.000 2.294 100 A HA 0.736 5.056 4.320 0.000 0.000 0.316 100 A C 0.250 177.707 177.584 -0.212 0.000 1.359 100 A CA -0.471 51.504 52.037 -0.104 0.000 0.956 100 A CB 0.466 19.386 19.000 -0.134 0.000 1.155 100 A HN 0.799 nan 8.150 nan 0.000 0.544 101 A N 4.123 126.925 122.820 -0.030 0.000 2.457 101 A HA 0.490 4.811 4.320 0.000 0.000 0.298 101 A C 0.181 177.730 177.584 -0.059 0.000 1.288 101 A CA -0.233 51.807 52.037 0.006 0.000 0.956 101 A CB -0.615 18.416 19.000 0.051 0.000 1.135 101 A HN 0.768 nan 8.150 nan 0.000 0.535 102 I N 3.634 124.115 120.570 -0.148 0.000 2.505 102 I HA 0.006 4.176 4.170 0.000 0.000 0.287 102 I C 1.659 177.798 176.117 0.038 0.000 1.104 102 I CA 0.334 61.575 61.300 -0.098 0.000 1.387 102 I CB 0.793 38.680 38.000 -0.188 0.000 1.404 102 I HN 0.839 nan 8.210 nan 0.000 0.528 103 T N 1.588 116.187 114.554 0.076 0.000 3.040 103 T HA 0.242 4.592 4.350 0.000 0.000 0.252 103 T C 0.607 175.360 174.700 0.088 0.000 1.064 103 T CA 0.101 62.232 62.100 0.052 0.000 1.110 103 T CB 0.325 69.219 68.868 0.042 0.000 0.921 103 T HN 0.553 nan 8.240 nan 0.000 0.480 104 E N 0.658 120.950 120.200 0.154 0.000 2.408 104 E HA 0.610 4.960 4.350 0.000 0.000 0.275 104 E C -1.438 175.315 176.600 0.254 0.000 0.935 104 E CA -0.907 55.600 56.400 0.177 0.000 0.775 104 E CB 2.472 32.245 29.700 0.121 0.000 1.277 104 E HN 0.389 nan 8.360 nan 0.000 0.455 105 S N 0.485 116.348 115.700 0.271 0.000 2.543 105 S HA 0.433 4.903 4.470 0.000 0.000 0.274 105 S C -1.820 172.939 174.600 0.265 0.000 1.149 105 S CA -1.035 57.338 58.200 0.287 0.000 0.866 105 S CB 1.999 65.388 63.200 0.316 0.000 1.111 105 S HN 0.457 nan 8.310 nan 0.000 0.457 106 D N 0.923 121.466 120.400 0.239 0.000 2.505 106 D HA 0.410 5.050 4.640 0.000 0.000 0.250 106 D C -0.776 175.659 176.300 0.224 0.000 1.164 106 D CA -0.336 53.786 54.000 0.202 0.000 0.870 106 D CB 0.737 41.627 40.800 0.149 0.000 1.160 106 D HN 0.698 nan 8.370 nan 0.000 0.549 107 K N 2.506 123.042 120.400 0.226 0.000 3.148 107 K HA -0.247 4.073 4.320 0.000 0.000 0.267 107 K C -0.080 176.668 176.600 0.247 0.000 0.996 107 K CA 0.411 56.828 56.287 0.216 0.000 0.737 107 K CB -1.223 31.377 32.500 0.167 0.000 1.308 107 K HN 0.450 nan 8.250 nan 0.000 0.470 108 F N 0.057 120.047 119.950 0.065 0.000 2.479 108 F HA 0.291 4.818 4.527 -0.000 0.000 0.280 108 F C 0.479 176.233 175.800 -0.076 0.000 0.982 108 F CA -0.108 57.867 58.000 -0.040 0.000 1.276 108 F CB 0.424 39.318 39.000 -0.176 0.000 1.137 108 F HN -0.031 nan 8.300 nan 0.000 0.660 109 F N 2.427 122.289 119.950 -0.147 0.000 2.429 109 F HA 0.318 4.845 4.527 0.000 0.000 0.348 109 F C 0.148 175.810 175.800 -0.230 0.000 1.109 109 F CA -0.348 57.377 58.000 -0.458 0.000 1.232 109 F CB 0.426 39.146 39.000 -0.467 0.000 1.157 109 F HN -0.267 nan 8.300 nan 0.000 0.564 110 I N 2.576 122.940 120.570 -0.343 0.000 2.359 110 I HA 0.118 4.288 4.170 0.000 0.000 0.294 110 I C 0.149 175.984 176.117 -0.470 0.000 0.987 110 I CA -0.607 60.523 61.300 -0.283 0.000 1.225 110 I CB 1.243 39.062 38.000 -0.303 0.000 1.366 110 I HN 0.606 nan 8.210 nan 0.000 0.466 111 N N 4.986 123.203 118.700 -0.804 0.000 2.429 111 N HA 0.053 4.793 4.740 0.000 0.000 0.271 111 N C 0.949 176.108 175.510 -0.585 0.000 1.272 111 N CA 0.802 53.114 53.050 -1.230 0.000 0.921 111 N CB 0.335 37.811 38.487 -1.686 0.000 1.128 111 N HN 1.008 nan 8.380 nan 0.000 0.481 112 G N 2.054 110.587 108.800 -0.444 0.000 2.143 112 G HA2 -0.324 3.636 3.960 0.000 0.000 0.249 112 G HA3 -0.324 3.636 3.960 0.000 0.000 0.249 112 G C 0.836 175.607 174.900 -0.215 0.000 0.981 112 G CA 0.488 45.439 45.100 -0.248 0.000 0.665 112 G HN 0.752 nan 8.290 nan 0.000 0.528 113 S N -0.213 115.277 115.700 -0.349 0.000 2.481 113 S HA 0.029 4.499 4.470 0.000 0.000 0.231 113 S C 1.438 175.918 174.600 -0.201 0.000 0.996 113 S CA 1.270 59.277 58.200 -0.322 0.000 0.942 113 S CB -0.187 62.548 63.200 -0.775 0.000 0.768 113 S HN 1.684 nan 8.310 nan 0.000 0.520 114 N N 0.322 118.861 118.700 -0.269 0.000 2.936 114 N HA -0.131 4.609 4.740 0.000 0.000 0.236 114 N C -0.297 175.028 175.510 -0.308 0.000 0.930 114 N CA 1.618 54.551 53.050 -0.196 0.000 0.966 114 N CB -1.892 36.548 38.487 -0.078 0.000 1.090 114 N HN 0.896 nan 8.380 nan 0.000 0.592 115 W N -0.277 120.846 121.300 -0.295 0.000 2.570 115 W HA 0.683 5.343 4.660 0.000 0.000 0.337 115 W C 0.111 176.560 176.519 -0.116 0.000 1.067 115 W CA -0.609 56.563 57.345 -0.288 0.000 1.229 115 W CB 0.658 30.016 29.460 -0.170 0.000 1.355 115 W HN -0.075 nan 8.180 nan 0.000 0.555 116 E N 1.761 122.154 120.200 0.322 0.000 2.562 116 E HA 0.295 4.645 4.350 0.000 0.000 0.214 116 E C 0.701 177.587 176.600 0.477 0.000 0.979 116 E CA 0.085 56.641 56.400 0.260 0.000 1.002 116 E CB 1.365 31.097 29.700 0.054 0.000 1.048 116 E HN 0.604 nan 8.360 nan 0.000 0.488 117 G N 0.076 109.157 108.800 0.469 0.000 2.727 117 G HA2 0.692 4.652 3.960 0.000 0.000 0.289 117 G HA3 0.692 4.652 3.960 0.000 0.000 0.289 117 G C -1.615 173.366 174.900 0.134 0.000 1.418 117 G CA -0.678 44.590 45.100 0.280 0.000 0.818 117 G HN 0.073 nan 8.290 nan 0.000 0.486 118 I N -0.167 120.456 120.570 0.088 0.000 2.569 118 I HA 0.577 4.747 4.170 0.000 0.000 0.290 118 I C -1.697 174.524 176.117 0.172 0.000 1.088 118 I CA -1.122 60.196 61.300 0.031 0.000 1.047 118 I CB 2.098 40.191 38.000 0.154 0.000 1.237 118 I HN 0.420 nan 8.210 nan 0.000 0.421 119 L N 8.092 129.367 121.223 0.087 0.000 2.313 119 L HA 0.622 4.962 4.340 0.000 0.000 0.273 119 L C 0.064 176.947 176.870 0.022 0.000 1.028 119 L CA -0.055 54.835 54.840 0.083 0.000 0.871 119 L CB 0.953 42.917 42.059 -0.157 0.000 1.242 119 L HN 0.632 nan 8.230 nan 0.000 0.434 120 G N 5.118 113.990 108.800 0.119 0.000 2.356 120 G HA2 0.339 4.299 3.960 0.000 0.000 0.273 120 G HA3 0.339 4.299 3.960 0.000 0.000 0.273 120 G C 0.477 175.388 174.900 0.018 0.000 1.213 120 G CA -0.368 44.784 45.100 0.087 0.000 0.955 120 G HN 0.742 nan 8.290 nan 0.000 0.454 121 L N 1.990 123.181 121.223 -0.053 0.000 2.607 121 L HA 0.250 4.590 4.340 0.000 0.000 0.228 121 L C 1.892 178.735 176.870 -0.044 0.000 1.123 121 L CA -0.149 54.617 54.840 -0.125 0.000 0.890 121 L CB -0.072 41.761 42.059 -0.377 0.000 1.103 121 L HN 0.588 nan 8.230 nan 0.000 0.468 122 A N -0.821 121.950 122.820 -0.081 0.000 2.251 122 A HA 0.393 4.713 4.320 0.000 0.000 0.278 122 A C -0.687 176.689 177.584 -0.347 0.000 1.206 122 A CA -0.166 51.665 52.037 -0.343 0.000 0.822 122 A CB 0.039 18.918 19.000 -0.202 0.000 1.187 122 A HN 0.105 nan 8.150 nan 0.000 0.504 123 Y N -1.340 118.855 120.300 -0.175 0.000 2.316 123 Y HA 0.412 4.962 4.550 -0.000 0.000 0.324 123 Y C 1.692 177.578 175.900 -0.022 0.000 1.267 123 Y CA 0.210 58.277 58.100 -0.055 0.000 1.311 123 Y CB 0.705 39.145 38.460 -0.034 0.000 1.267 123 Y HN 0.713 nan 8.280 nan 0.000 0.516 124 A N 1.101 124.034 122.820 0.189 0.000 1.927 124 A HA -0.349 3.971 4.320 0.000 0.000 0.220 124 A C 2.047 179.681 177.584 0.082 0.000 1.185 124 A CA 2.272 54.376 52.037 0.111 0.000 0.639 124 A CB -0.983 18.079 19.000 0.103 0.000 0.820 124 A HN 0.978 nan 8.150 nan 0.000 0.451 125 E N 0.223 120.486 120.200 0.105 0.000 2.208 125 E HA -0.225 4.125 4.350 0.000 0.000 0.202 125 E C 1.450 178.089 176.600 0.065 0.000 1.014 125 E CA 1.893 58.344 56.400 0.085 0.000 0.819 125 E CB -0.380 29.392 29.700 0.120 0.000 0.735 125 E HN 0.841 nan 8.360 nan 0.000 0.469 126 I N -2.867 117.710 120.570 0.013 0.000 3.927 126 I HA 0.474 4.644 4.170 0.000 0.000 0.332 126 I C 0.352 176.410 176.117 -0.098 0.000 1.485 126 I CA -0.551 60.696 61.300 -0.088 0.000 1.131 126 I CB 0.407 38.195 38.000 -0.353 0.000 1.092 126 I HN 0.011 nan 8.210 nan 0.000 0.410 127 A N 1.842 124.641 122.820 -0.035 0.000 2.340 127 A HA 0.695 5.015 4.320 0.000 0.000 0.268 127 A C 0.001 177.564 177.584 -0.035 0.000 1.100 127 A CA -0.462 51.562 52.037 -0.021 0.000 0.803 127 A CB 0.560 19.580 19.000 0.034 0.000 1.043 127 A HN 0.317 nan 8.150 nan 0.000 0.488 128 R N 1.490 121.957 120.500 -0.056 0.000 2.540 128 R HA 0.398 4.738 4.340 0.000 0.000 0.287 128 R C -2.231 174.071 176.300 0.005 0.000 0.980 128 R CA -2.420 53.639 56.100 -0.069 0.000 0.966 128 R CB 0.381 30.567 30.300 -0.189 0.000 1.106 128 R HN 0.398 nan 8.270 nan 0.000 0.480 129 P HA -0.089 nan 4.420 nan 0.000 0.219 129 P C -0.551 176.749 177.300 0.000 0.000 1.150 129 P CA 1.163 64.266 63.100 0.005 0.000 0.814 129 P CB 0.366 32.084 31.700 0.029 0.000 0.787 130 D N -3.423 116.984 120.400 0.012 0.000 2.752 130 D HA 0.125 4.765 4.640 0.000 0.000 0.313 130 D C -0.481 175.831 176.300 0.021 0.000 1.225 130 D CA -0.736 53.271 54.000 0.012 0.000 0.976 130 D CB -0.231 40.578 40.800 0.015 0.000 1.443 130 D HN -0.249 nan 8.370 nan 0.000 0.515 131 D N -1.001 119.412 120.400 0.022 0.000 2.358 131 D HA -0.038 4.603 4.640 0.000 0.000 0.241 131 D C 1.093 177.415 176.300 0.036 0.000 1.094 131 D CA 0.499 54.519 54.000 0.032 0.000 0.907 131 D CB -0.295 40.523 40.800 0.031 0.000 0.893 131 D HN 0.280 nan 8.370 nan 0.000 0.528 132 S N -0.718 115.002 115.700 0.033 0.000 2.486 132 S HA 0.032 4.502 4.470 0.000 0.000 0.220 132 S C 0.799 175.424 174.600 0.042 0.000 1.011 132 S CA -0.614 57.606 58.200 0.033 0.000 0.921 132 S CB -0.372 62.844 63.200 0.027 0.000 0.785 132 S HN 0.227 nan 8.310 nan 0.000 0.517 133 L N 3.571 124.825 121.223 0.051 0.000 2.433 133 L HA 0.345 4.685 4.340 0.000 0.000 0.284 133 L C 0.206 177.121 176.870 0.074 0.000 1.120 133 L CA -0.090 54.791 54.840 0.067 0.000 0.879 133 L CB -0.015 42.092 42.059 0.080 0.000 1.232 133 L HN 0.312 nan 8.230 nan 0.000 0.454 134 E N 6.749 126.988 120.200 0.066 0.000 2.417 134 E HA 0.141 4.491 4.350 0.000 0.000 0.261 134 E C -2.199 174.451 176.600 0.084 0.000 1.000 134 E CA -1.485 54.952 56.400 0.062 0.000 0.919 134 E CB 0.612 30.333 29.700 0.034 0.000 0.955 134 E HN 0.440 nan 8.360 nan 0.000 0.455 135 P HA -0.022 nan 4.420 nan 0.000 0.272 135 P C -0.099 177.267 177.300 0.109 0.000 1.223 135 P CA -0.195 62.981 63.100 0.127 0.000 0.784 135 P CB 0.387 32.151 31.700 0.107 0.000 0.923 136 F N 2.239 122.197 119.950 0.013 0.000 2.043 136 F HA -0.279 4.248 4.527 0.000 0.000 0.297 136 F C 2.017 177.770 175.800 -0.078 0.000 1.118 136 F CA 1.657 59.604 58.000 -0.088 0.000 1.202 136 F CB -0.798 38.027 39.000 -0.292 0.000 0.965 136 F HN 0.219 nan 8.300 nan 0.000 0.482 137 F N 1.471 121.377 119.950 -0.072 0.000 2.120 137 F HA -0.262 4.265 4.527 -0.000 0.000 0.300 137 F C 2.461 178.150 175.800 -0.185 0.000 1.095 137 F CA 2.266 60.178 58.000 -0.148 0.000 1.249 137 F CB -0.770 38.198 39.000 -0.054 0.000 0.995 137 F HN 0.080 nan 8.300 nan 0.000 0.480 138 D N -0.690 119.710 120.400 0.000 0.000 2.104 138 D HA -0.180 4.460 4.640 0.000 0.000 0.194 138 D C 2.376 178.564 176.300 -0.187 0.000 0.994 138 D CA 1.853 55.834 54.000 -0.033 0.000 0.830 138 D CB -0.215 40.609 40.800 0.041 0.000 0.959 138 D HN 0.272 nan 8.370 nan 0.000 0.452 139 S N 0.905 116.448 115.700 -0.261 0.000 2.359 139 S HA -0.169 4.301 4.470 0.000 0.000 0.224 139 S C 1.950 176.290 174.600 -0.434 0.000 1.035 139 S CA 0.488 58.502 58.200 -0.311 0.000 1.018 139 S CB -0.385 62.615 63.200 -0.333 0.000 0.876 139 S HN 0.157 nan 8.310 nan 0.000 0.448 140 L N 1.982 122.785 121.223 -0.700 0.000 1.990 140 L HA -0.104 4.236 4.340 0.000 0.000 0.213 140 L C 2.238 178.824 176.870 -0.473 0.000 1.072 140 L CA 1.704 56.139 54.840 -0.676 0.000 0.755 140 L CB -0.785 40.740 42.059 -0.890 0.000 0.889 140 L HN 0.150 nan 8.230 nan 0.000 0.432 141 V N -0.483 119.138 119.914 -0.488 0.000 2.343 141 V HA -0.304 3.816 4.120 0.000 0.000 0.247 141 V C 2.579 178.561 176.094 -0.187 0.000 1.051 141 V CA 2.107 64.226 62.300 -0.300 0.000 1.036 141 V CB -0.647 31.052 31.823 -0.207 0.000 0.654 141 V HN 0.467 nan 8.190 nan 0.000 0.451 142 K N -0.368 119.927 120.400 -0.175 0.000 2.062 142 K HA -0.149 4.171 4.320 0.000 0.000 0.205 142 K C 2.173 178.684 176.600 -0.148 0.000 1.051 142 K CA 1.372 57.583 56.287 -0.126 0.000 0.941 142 K CB -0.163 32.277 32.500 -0.100 0.000 0.719 142 K HN 0.503 nan 8.250 nan 0.000 0.440 143 Q N 0.191 119.883 119.800 -0.181 0.000 2.435 143 Q HA -0.031 4.309 4.340 0.000 0.000 0.207 143 Q C 0.796 176.674 176.000 -0.204 0.000 0.956 143 Q CA 0.871 56.570 55.803 -0.174 0.000 0.917 143 Q CB 0.447 29.086 28.738 -0.165 0.000 0.997 143 Q HN 0.373 nan 8.270 nan 0.000 0.497 144 T N -4.531 109.886 114.554 -0.227 0.000 2.676 144 T HA 0.249 4.599 4.350 0.000 0.000 0.269 144 T C 0.202 174.741 174.700 -0.269 0.000 0.952 144 T CA -0.671 61.281 62.100 -0.246 0.000 1.040 144 T CB 0.755 69.526 68.868 -0.162 0.000 1.352 144 T HN 0.055 nan 8.240 nan 0.000 0.554 145 H N -1.317 117.720 119.070 -0.055 0.000 2.648 145 H HA 0.454 5.010 4.556 0.000 0.000 0.265 145 H C 0.437 175.746 175.328 -0.032 0.000 0.961 145 H CA -0.237 55.790 56.048 -0.035 0.000 1.185 145 H CB 0.379 30.131 29.762 -0.018 0.000 1.449 145 H HN 0.230 nan 8.280 nan 0.000 0.523 146 V N 3.829 123.769 119.914 0.045 0.000 2.678 146 V HA -0.094 4.026 4.120 0.000 0.000 0.304 146 V C -1.916 174.193 176.094 0.025 0.000 1.086 146 V CA -0.642 61.668 62.300 0.016 0.000 1.246 146 V CB 0.186 31.965 31.823 -0.074 0.000 0.861 146 V HN 0.183 nan 8.190 nan 0.000 0.491 147 P HA 0.068 nan 4.420 nan 0.000 0.268 147 P C -0.066 177.343 177.300 0.182 0.000 1.205 147 P CA -0.272 62.895 63.100 0.112 0.000 0.771 147 P CB 0.284 32.053 31.700 0.114 0.000 0.858 148 N N 3.750 122.567 118.700 0.196 0.000 2.892 148 N HA 0.175 4.915 4.740 0.000 0.000 0.300 148 N C -0.811 174.930 175.510 0.384 0.000 1.211 148 N CA 0.323 53.579 53.050 0.343 0.000 1.158 148 N CB -1.193 37.446 38.487 0.253 0.000 1.455 148 N HN 0.369 nan 8.380 nan 0.000 0.524 149 L N 0.866 122.384 121.223 0.492 0.000 2.983 149 L HA 0.470 4.810 4.340 0.000 0.000 0.249 149 L C -1.917 175.137 176.870 0.307 0.000 0.963 149 L CA -0.971 54.015 54.840 0.244 0.000 1.011 149 L CB 0.523 42.646 42.059 0.106 0.000 1.607 149 L HN 0.085 nan 8.230 nan 0.000 0.447 150 F N 1.364 121.282 119.950 -0.053 0.000 2.629 150 F HA 0.967 5.494 4.527 0.000 0.000 0.316 150 F C -0.786 174.975 175.800 -0.065 0.000 1.081 150 F CA -0.351 57.616 58.000 -0.054 0.000 0.954 150 F CB 1.702 40.586 39.000 -0.194 0.000 1.337 150 F HN 0.605 nan 8.300 nan 0.000 0.474 151 S N 1.319 117.075 115.700 0.092 0.000 2.549 151 S HA 0.840 5.310 4.470 0.000 0.000 0.280 151 S C -1.544 173.101 174.600 0.075 0.000 1.109 151 S CA -0.828 57.293 58.200 -0.132 0.000 0.905 151 S CB 1.796 64.733 63.200 -0.438 0.000 1.081 151 S HN 0.843 nan 8.310 nan 0.000 0.477 152 L N 1.889 123.118 121.223 0.010 0.000 2.362 152 L HA 0.591 4.931 4.340 0.000 0.000 0.275 152 L C -0.391 176.566 176.870 0.145 0.000 0.998 152 L CA -0.434 54.468 54.840 0.104 0.000 0.820 152 L CB 2.069 44.189 42.059 0.102 0.000 1.270 152 L HN 0.817 nan 8.230 nan 0.000 0.415 153 Q N 4.882 124.780 119.800 0.164 0.000 2.454 153 Q HA 0.475 4.815 4.340 0.000 0.000 0.255 153 Q C -1.751 174.233 176.000 -0.027 0.000 1.034 153 Q CA -0.509 55.381 55.803 0.145 0.000 0.736 153 Q CB 1.179 29.990 28.738 0.122 0.000 1.210 153 Q HN 0.629 nan 8.270 nan 0.000 0.500 154 L N 2.975 124.121 121.223 -0.129 0.000 2.292 154 L HA 0.549 4.889 4.340 0.000 0.000 0.284 154 L C -0.552 176.279 176.870 -0.065 0.000 1.065 154 L CA -0.859 53.770 54.840 -0.352 0.000 0.806 154 L CB 1.329 42.961 42.059 -0.711 0.000 1.175 154 L HN 0.662 nan 8.230 nan 0.000 0.431 155 C N 2.380 121.738 119.300 0.097 0.000 2.379 155 C HA 0.625 5.085 4.460 0.000 0.000 0.323 155 C C 1.108 176.200 174.990 0.170 0.000 1.262 155 C CA -0.872 58.210 59.018 0.108 0.000 1.581 155 C CB 0.815 28.597 27.740 0.069 0.000 2.221 155 C HN 0.977 nan 8.230 nan 0.000 0.497 156 G N 1.585 110.444 108.800 0.098 0.000 2.583 156 G HA2 0.529 4.489 3.960 0.000 0.000 0.275 156 G HA3 0.529 4.489 3.960 0.000 0.000 0.275 156 G C 0.009 174.935 174.900 0.044 0.000 1.342 156 G CA 0.396 45.546 45.100 0.083 0.000 1.030 156 G HN 1.157 nan 8.290 nan 0.000 0.520 169 S N 0.592 116.272 115.700 -0.032 0.000 2.592 169 S HA 0.730 5.200 4.470 0.000 0.000 0.271 169 S C 0.505 175.063 174.600 -0.069 0.000 1.326 169 S CA 0.104 58.275 58.200 -0.049 0.000 1.024 169 S CB 1.111 64.296 63.200 -0.025 0.000 0.921 169 S HN 2.111 nan 8.310 nan 0.000 0.527 170 V N -1.053 118.786 119.914 -0.126 0.000 3.181 170 V HA 1.066 5.186 4.120 0.000 0.000 0.314 170 V C 0.319 176.347 176.094 -0.111 0.000 1.173 170 V CA -0.285 61.944 62.300 -0.118 0.000 1.052 170 V CB 1.224 32.931 31.823 -0.194 0.000 1.123 170 V HN 1.254 nan 8.190 nan 0.000 0.454 171 G N -1.818 106.986 108.800 0.007 0.000 2.721 171 G HA2 0.939 4.899 3.960 0.000 0.000 0.296 171 G HA3 0.939 4.899 3.960 0.000 0.000 0.296 171 G C -0.423 174.582 174.900 0.174 0.000 1.383 171 G CA -0.186 44.941 45.100 0.044 0.000 0.788 171 G HN 1.921 nan 8.290 nan 0.000 0.500 172 G N -1.456 107.402 108.800 0.097 0.000 2.317 172 G HA2 0.651 4.611 3.960 0.000 0.000 0.293 172 G HA3 0.651 4.611 3.960 0.000 0.000 0.293 172 G C -0.952 173.966 174.900 0.030 0.000 1.287 172 G CA 0.621 45.758 45.100 0.062 0.000 0.850 172 G HN 1.917 nan 8.290 nan 0.000 0.515 173 S N -1.448 114.268 115.700 0.027 0.000 2.540 173 S HA 0.706 5.176 4.470 0.000 0.000 0.275 173 S C -0.643 174.004 174.600 0.078 0.000 1.123 173 S CA -0.546 57.681 58.200 0.045 0.000 0.907 173 S CB 1.945 65.171 63.200 0.044 0.000 1.081 173 S HN 1.265 nan 8.310 nan 0.000 0.476 174 M N 4.071 123.718 119.600 0.077 0.000 2.044 174 M HA 0.466 4.946 4.480 0.000 0.000 0.333 174 M C -1.596 174.785 176.300 0.136 0.000 1.004 174 M CA -0.874 54.487 55.300 0.101 0.000 0.954 174 M CB 0.347 32.968 32.600 0.034 0.000 1.468 174 M HN 0.636 nan 8.290 nan 0.000 0.414 175 I N 6.787 127.469 120.570 0.188 0.000 2.294 175 I HA 0.179 4.349 4.170 0.000 0.000 0.295 175 I C 0.050 176.301 176.117 0.225 0.000 1.098 175 I CA -0.323 61.092 61.300 0.191 0.000 1.277 175 I CB -0.298 37.832 38.000 0.218 0.000 1.434 175 I HN 0.618 nan 8.210 nan 0.000 0.498 176 I N 5.649 126.345 120.570 0.211 0.000 2.436 176 I HA 0.235 4.405 4.170 0.000 0.000 0.289 176 I C 1.373 177.645 176.117 0.259 0.000 1.083 176 I CA 0.353 61.822 61.300 0.280 0.000 1.372 176 I CB 0.228 38.361 38.000 0.222 0.000 1.408 176 I HN 0.880 nan 8.210 nan 0.000 0.516 177 G N 4.496 113.498 108.800 0.336 0.000 2.175 177 G HA2 -0.120 3.840 3.960 0.000 0.000 0.244 177 G HA3 -0.120 3.840 3.960 0.000 0.000 0.244 177 G C 0.378 175.388 174.900 0.183 0.000 0.982 177 G CA -0.094 45.153 45.100 0.245 0.000 0.641 177 G HN 1.162 nan 8.290 nan 0.000 0.527 178 G N -1.198 107.706 108.800 0.173 0.000 2.561 178 G HA2 0.621 4.582 3.960 0.000 0.000 0.310 178 G HA3 0.621 4.582 3.960 0.000 0.000 0.310 178 G C -1.553 173.414 174.900 0.110 0.000 1.292 178 G CA -0.442 44.735 45.100 0.127 0.000 0.811 178 G HN 0.745 nan 8.290 nan 0.000 0.482 179 I N 1.195 121.824 120.570 0.099 0.000 2.418 179 I HA 0.300 4.470 4.170 0.000 0.000 0.287 179 I C -1.235 174.958 176.117 0.127 0.000 1.008 179 I CA -0.619 60.745 61.300 0.107 0.000 1.104 179 I CB 2.109 40.106 38.000 -0.004 0.000 1.264 179 I HN 0.313 nan 8.210 nan 0.000 0.438 180 D N 5.788 126.323 120.400 0.225 0.000 2.373 180 D HA 0.145 4.785 4.640 0.000 0.000 0.227 180 D C 1.078 177.407 176.300 0.049 0.000 1.091 180 D CA -0.192 53.878 54.000 0.117 0.000 0.840 180 D CB 0.792 41.644 40.800 0.087 0.000 1.060 180 D HN 0.515 nan 8.370 nan 0.000 0.502 181 H N 1.741 120.873 119.070 0.104 0.000 2.489 181 H HA -0.113 4.444 4.556 0.000 0.000 0.295 181 H C 1.791 176.955 175.328 -0.274 0.000 1.082 181 H CA 1.283 57.283 56.048 -0.079 0.000 1.295 181 H CB 0.336 30.046 29.762 -0.088 0.000 1.380 181 H HN 0.404 nan 8.280 nan 0.000 0.548 182 S N 0.372 116.032 115.700 -0.067 0.000 2.522 182 S HA 0.019 4.489 4.470 0.000 0.000 0.227 182 S C 1.885 176.385 174.600 -0.168 0.000 0.986 182 S CA 0.090 58.222 58.200 -0.113 0.000 0.929 182 S CB -0.367 62.798 63.200 -0.058 0.000 0.769 182 S HN 0.283 nan 8.310 nan 0.000 0.529 183 L N 0.369 121.449 121.223 -0.238 0.000 2.558 183 L HA 0.320 4.660 4.340 0.000 0.000 0.225 183 L C 0.319 177.037 176.870 -0.253 0.000 1.128 183 L CA -0.164 54.479 54.840 -0.328 0.000 0.868 183 L CB -0.305 41.379 42.059 -0.626 0.000 1.006 183 L HN 0.593 nan 8.230 nan 0.000 0.454 184 Y N -2.441 117.679 120.300 -0.301 0.000 2.597 184 Y HA 0.640 5.190 4.550 -0.000 0.000 0.340 184 Y C -0.366 175.493 175.900 -0.067 0.000 1.097 184 Y CA -1.592 56.416 58.100 -0.152 0.000 1.037 184 Y CB 0.848 39.271 38.460 -0.062 0.000 1.305 184 Y HN -0.089 nan 8.280 nan 0.000 0.463 185 T N -0.620 113.953 114.554 0.032 0.000 2.932 185 T HA 0.810 5.160 4.350 0.000 0.000 0.289 185 T C 0.460 175.233 174.700 0.123 0.000 1.039 185 T CA -0.169 61.899 62.100 -0.053 0.000 1.024 185 T CB 1.070 69.883 68.868 -0.091 0.000 1.090 185 T HN 2.326 nan 8.240 nan 0.000 0.496 186 G N 1.495 110.338 108.800 0.072 0.000 2.593 186 G HA2 -0.053 3.907 3.960 0.000 0.000 0.237 186 G HA3 -0.053 3.907 3.960 0.000 0.000 0.237 186 G C -0.228 174.815 174.900 0.239 0.000 1.312 186 G CA -0.246 44.940 45.100 0.143 0.000 0.896 186 G HN 1.286 nan 8.290 nan 0.000 0.574 187 S N -0.618 115.214 115.700 0.221 0.000 2.651 187 S HA 0.711 5.181 4.470 0.000 0.000 0.291 187 S C 0.223 174.841 174.600 0.031 0.000 1.141 187 S CA -0.606 57.667 58.200 0.121 0.000 1.027 187 S CB 1.613 64.808 63.200 -0.008 0.000 1.043 187 S HN 0.655 nan 8.310 nan 0.000 0.530 188 L N 1.836 122.938 121.223 -0.202 0.000 2.292 188 L HA 0.426 4.766 4.340 0.000 0.000 0.284 188 L C -1.272 175.199 176.870 -0.665 0.000 1.065 188 L CA -0.326 54.250 54.840 -0.440 0.000 0.806 188 L CB 0.682 42.408 42.059 -0.555 0.000 1.175 188 L HN 0.653 nan 8.230 nan 0.000 0.431 189 W N 2.711 123.572 121.300 -0.730 0.000 2.587 189 W HA 0.447 5.107 4.660 0.000 0.000 0.324 189 W C -0.740 175.219 176.519 -0.934 0.000 1.040 189 W CA -0.299 56.533 57.345 -0.855 0.000 1.222 189 W CB 1.019 29.654 29.460 -1.375 0.000 1.381 189 W HN 0.211 nan 8.180 nan 0.000 0.483 190 Y N 1.624 121.870 120.300 -0.090 0.000 2.342 190 Y HA 0.536 5.086 4.550 0.000 0.000 0.334 190 Y C 0.624 176.772 175.900 0.413 0.000 1.067 190 Y CA -0.661 57.498 58.100 0.098 0.000 1.128 190 Y CB 2.001 40.466 38.460 0.008 0.000 1.200 190 Y HN 0.155 nan 8.280 nan 0.000 0.464 191 T N 4.877 119.769 114.554 0.563 0.000 2.841 191 T HA 0.485 4.835 4.350 0.000 0.000 0.283 191 T C -2.860 172.009 174.700 0.282 0.000 1.000 191 T CA -2.609 59.752 62.100 0.434 0.000 0.977 191 T CB 1.073 70.157 68.868 0.361 0.000 0.979 191 T HN 0.243 nan 8.240 nan 0.000 0.446 192 P HA 0.263 nan 4.420 nan 0.000 0.268 192 P C -0.547 176.856 177.300 0.173 0.000 1.205 192 P CA -0.165 63.034 63.100 0.165 0.000 0.771 192 P CB 0.315 32.093 31.700 0.129 0.000 0.858 193 I N 3.710 124.387 120.570 0.177 0.000 2.322 193 I HA 0.155 4.325 4.170 0.000 0.000 0.292 193 I C 1.963 178.181 176.117 0.169 0.000 1.060 193 I CA -0.106 61.325 61.300 0.219 0.000 1.309 193 I CB 0.516 38.678 38.000 0.271 0.000 1.415 193 I HN 0.449 nan 8.210 nan 0.000 0.492 194 R N 5.721 126.331 120.500 0.183 0.000 2.091 194 R HA -0.041 4.299 4.340 0.000 0.000 0.238 194 R C 0.787 177.156 176.300 0.116 0.000 1.136 194 R CA 1.418 57.608 56.100 0.148 0.000 0.959 194 R CB 0.273 30.679 30.300 0.176 0.000 0.856 194 R HN 0.590 nan 8.270 nan 0.000 0.437 195 R N 0.101 120.703 120.500 0.171 0.000 2.566 195 R HA 0.086 4.426 4.340 0.000 0.000 0.271 195 R C -1.615 174.768 176.300 0.139 0.000 1.071 195 R CA -0.446 55.698 56.100 0.074 0.000 0.915 195 R CB 1.549 31.816 30.300 -0.055 0.000 1.228 195 R HN 0.042 nan 8.270 nan 0.000 0.449 196 E N 4.924 125.030 120.200 -0.157 0.000 1.775 196 E HA 0.041 4.391 4.350 0.000 0.000 0.266 196 E C -0.162 176.318 176.600 -0.200 0.000 1.191 196 E CA 0.253 56.288 56.400 -0.609 0.000 1.048 196 E CB 0.187 29.258 29.700 -1.049 0.000 1.081 196 E HN 0.454 nan 8.360 nan 0.000 0.434 197 W N 1.667 122.878 121.300 -0.149 0.000 4.502 197 W HA 0.182 4.842 4.660 -0.000 0.000 0.167 197 W C -0.415 176.118 176.519 0.023 0.000 3.449 197 W CA -0.318 57.011 57.345 -0.028 0.000 1.214 197 W CB -0.429 29.012 29.460 -0.032 0.000 2.088 197 W HN 0.020 nan 8.180 nan 0.000 0.386 198 Y N 0.639 120.674 120.300 -0.441 0.000 2.289 198 Y HA 0.300 4.850 4.550 -0.000 0.000 0.332 198 Y C -0.114 175.692 175.900 -0.157 0.000 1.324 198 Y CA -0.195 57.653 58.100 -0.419 0.000 1.478 198 Y CB 0.137 38.165 38.460 -0.720 0.000 1.378 198 Y HN -0.129 nan 8.280 nan 0.000 0.558 199 Y N 1.081 121.560 120.300 0.298 0.000 2.632 199 Y HA 0.116 4.665 4.550 -0.000 0.000 0.336 199 Y C 0.363 176.405 175.900 0.235 0.000 1.237 199 Y CA -0.300 58.005 58.100 0.342 0.000 1.595 199 Y CB -0.184 38.516 38.460 0.400 0.000 1.508 199 Y HN 0.427 nan 8.280 nan 0.000 0.480 200 E N 2.727 123.122 120.200 0.326 0.000 2.331 200 E HA 0.470 4.820 4.350 0.000 0.000 0.272 200 E C -0.791 175.958 176.600 0.249 0.000 1.036 200 E CA -0.501 56.059 56.400 0.267 0.000 0.864 200 E CB 0.879 30.821 29.700 0.402 0.000 1.035 200 E HN 0.425 nan 8.360 nan 0.000 0.408 201 V N 1.134 121.158 119.914 0.183 0.000 3.182 201 V HA 0.629 4.749 4.120 0.000 0.000 0.308 201 V C -0.661 175.495 176.094 0.103 0.000 1.240 201 V CA -1.025 61.361 62.300 0.144 0.000 1.063 201 V CB 1.650 33.549 31.823 0.127 0.000 1.076 201 V HN 0.603 nan 8.190 nan 0.000 0.446 202 I N 1.603 122.213 120.570 0.066 0.000 2.447 202 I HA 0.490 4.660 4.170 0.000 0.000 0.287 202 I C -0.695 175.420 176.117 -0.004 0.000 1.023 202 I CA -0.436 60.897 61.300 0.055 0.000 1.083 202 I CB 1.887 39.931 38.000 0.072 0.000 1.245 202 I HN 0.504 nan 8.210 nan 0.000 0.434 203 I N 6.820 127.396 120.570 0.010 0.000 2.352 203 I HA 0.086 4.256 4.170 0.000 0.000 0.290 203 I C 1.196 177.341 176.117 0.047 0.000 1.036 203 I CA -0.221 61.054 61.300 -0.043 0.000 1.336 203 I CB 1.378 39.339 38.000 -0.065 0.000 1.407 203 I HN 0.501 nan 8.210 nan 0.000 0.497 204 V N 3.095 123.004 119.914 -0.009 0.000 3.660 204 V HA 0.367 4.487 4.120 0.000 0.000 0.276 204 V C 0.561 176.670 176.094 0.026 0.000 1.317 204 V CA 0.119 62.442 62.300 0.037 0.000 1.097 204 V CB -0.270 31.544 31.823 -0.015 0.000 0.863 204 V HN 0.896 nan 8.190 nan 0.000 0.438 205 R N -0.366 120.079 120.500 -0.093 0.000 2.725 205 R HA 0.621 4.961 4.340 0.000 0.000 0.254 205 R C -2.545 173.562 176.300 -0.322 0.000 1.076 205 R CA -0.373 55.594 56.100 -0.221 0.000 0.940 205 R CB 2.394 32.377 30.300 -0.529 0.000 1.260 205 R HN 0.041 nan 8.270 nan 0.000 0.466 206 V N 2.741 122.422 119.914 -0.389 0.000 2.638 206 V HA 0.520 4.640 4.120 0.000 0.000 0.306 206 V C -0.799 175.224 176.094 -0.119 0.000 1.052 206 V CA -0.728 61.386 62.300 -0.310 0.000 0.885 206 V CB 1.990 33.462 31.823 -0.584 0.000 0.999 206 V HN 0.785 nan 8.190 nan 0.000 0.424 207 E N 4.208 124.399 120.200 -0.015 0.000 2.293 207 E HA 0.642 4.992 4.350 0.000 0.000 0.270 207 E C -1.462 175.152 176.600 0.023 0.000 0.879 207 E CA -0.711 55.700 56.400 0.017 0.000 0.756 207 E CB 3.170 32.918 29.700 0.080 0.000 1.208 207 E HN 0.535 nan 8.360 nan 0.000 0.428 208 I N 2.842 123.428 120.570 0.026 0.000 2.411 208 I HA 0.219 4.389 4.170 0.000 0.000 0.284 208 I C -0.234 175.917 176.117 0.057 0.000 1.012 208 I CA -0.647 60.680 61.300 0.045 0.000 1.119 208 I CB 1.139 39.159 38.000 0.033 0.000 1.261 208 I HN 0.528 nan 8.210 nan 0.000 0.448 209 N N 4.880 123.625 118.700 0.076 0.000 2.725 209 N HA -0.196 4.544 4.740 0.000 0.000 0.249 209 N C 0.843 176.388 175.510 0.058 0.000 1.103 209 N CA 1.475 54.569 53.050 0.073 0.000 0.707 209 N CB -0.807 37.722 38.487 0.071 0.000 1.043 209 N HN 1.152 nan 8.380 nan 0.000 0.553 210 G N -1.239 107.597 108.800 0.059 0.000 2.175 210 G HA2 -0.340 3.620 3.960 0.000 0.000 0.244 210 G HA3 -0.340 3.620 3.960 0.000 0.000 0.244 210 G C -0.154 174.770 174.900 0.040 0.000 0.982 210 G CA 0.571 45.705 45.100 0.058 0.000 0.641 210 G HN 0.710 nan 8.290 nan 0.000 0.527 211 Q N 0.813 120.631 119.800 0.030 0.000 2.282 211 Q HA 0.504 4.844 4.340 0.000 0.000 0.260 211 Q C -0.886 175.115 176.000 0.002 0.000 0.964 211 Q CA -0.815 54.997 55.803 0.014 0.000 0.880 211 Q CB 1.057 29.803 28.738 0.012 0.000 1.286 211 Q HN 0.159 nan 8.270 nan 0.000 0.445 212 D N 3.612 124.004 120.400 -0.013 0.000 2.383 212 D HA -0.017 4.623 4.640 0.000 0.000 0.252 212 D C 0.751 177.056 176.300 0.008 0.000 1.166 212 D CA -0.027 53.959 54.000 -0.024 0.000 0.879 212 D CB 1.203 41.977 40.800 -0.043 0.000 1.164 212 D HN 0.633 nan 8.370 nan 0.000 0.462 213 L N 4.053 125.297 121.223 0.035 0.000 2.353 213 L HA -0.093 4.247 4.340 0.000 0.000 0.220 213 L C 1.104 178.019 176.870 0.074 0.000 1.133 213 L CA 1.091 55.973 54.840 0.069 0.000 0.798 213 L CB -0.563 41.576 42.059 0.134 0.000 0.922 213 L HN 0.594 nan 8.230 nan 0.000 0.445 214 K N -0.338 120.103 120.400 0.069 0.000 3.148 214 K HA -0.232 4.088 4.320 0.000 0.000 0.267 214 K C -0.129 176.472 176.600 0.003 0.000 0.996 214 K CA 0.593 56.897 56.287 0.028 0.000 0.737 214 K CB -1.630 30.871 32.500 0.002 0.000 1.308 214 K HN 0.357 nan 8.250 nan 0.000 0.470 215 M N 0.019 119.615 119.600 -0.005 0.000 2.724 215 M HA 0.215 4.695 4.480 0.000 0.000 0.310 215 M C 0.219 176.346 176.300 -0.288 0.000 1.217 215 M CA -0.950 54.252 55.300 -0.163 0.000 0.894 215 M CB 1.233 33.687 32.600 -0.243 0.000 1.719 215 M HN 0.006 nan 8.290 nan 0.000 0.479 216 D N 1.157 121.392 120.400 -0.275 0.000 2.434 216 D HA 0.020 4.660 4.640 0.000 0.000 0.252 216 D C 1.055 177.096 176.300 -0.431 0.000 1.185 216 D CA -0.151 53.704 54.000 -0.241 0.000 0.886 216 D CB 1.053 41.753 40.800 -0.166 0.000 1.148 216 D HN 0.848 nan 8.370 nan 0.000 0.483 217 C N 3.813 122.919 119.300 -0.323 0.000 2.409 217 C HA -0.052 4.408 4.460 0.000 0.000 0.288 217 C C 2.123 177.008 174.990 -0.174 0.000 1.395 217 C CA -0.039 58.798 59.018 -0.301 0.000 1.792 217 C CB -0.671 27.097 27.740 0.047 0.000 1.847 217 C HN 0.611 nan 8.230 nan 0.000 0.534 218 K N 0.847 121.178 120.400 -0.114 0.000 2.097 218 K HA -0.111 4.209 4.320 0.000 0.000 0.206 218 K C 2.229 178.834 176.600 0.009 0.000 1.049 218 K CA 1.493 57.791 56.287 0.018 0.000 0.933 218 K CB -0.177 32.357 32.500 0.058 0.000 0.717 218 K HN 0.558 nan 8.250 nan 0.000 0.442 219 E N 0.231 120.336 120.200 -0.158 0.000 2.118 219 E HA -0.201 4.149 4.350 0.000 0.000 0.195 219 E C 1.907 178.521 176.600 0.023 0.000 0.992 219 E CA 1.367 57.691 56.400 -0.126 0.000 0.804 219 E CB -0.317 29.230 29.700 -0.254 0.000 0.741 219 E HN 0.537 nan 8.360 nan 0.000 0.458 220 Y N 0.911 121.240 120.300 0.048 0.000 2.256 220 Y HA -0.110 4.440 4.550 -0.000 0.000 0.288 220 Y C 1.545 177.470 175.900 0.041 0.000 1.155 220 Y CA 0.570 58.690 58.100 0.034 0.000 1.203 220 Y CB 0.087 38.551 38.460 0.008 0.000 0.980 220 Y HN 0.044 nan 8.280 nan 0.000 0.530 221 N N -0.775 118.048 118.700 0.206 0.000 2.328 221 N HA -0.037 4.703 4.740 0.000 0.000 0.247 221 N C -0.764 174.810 175.510 0.106 0.000 1.165 221 N CA -0.168 52.968 53.050 0.143 0.000 0.873 221 N CB 0.015 38.597 38.487 0.159 0.000 1.125 221 N HN 0.188 nan 8.380 nan 0.000 0.513 222 Y N 2.998 123.251 120.300 -0.078 0.000 2.802 222 Y HA -0.038 4.512 4.550 -0.000 0.000 0.351 222 Y C 0.981 176.649 175.900 -0.387 0.000 1.237 222 Y CA 0.535 58.461 58.100 -0.289 0.000 1.599 222 Y CB -0.336 37.995 38.460 -0.216 0.000 1.214 222 Y HN 0.269 nan 8.280 nan 0.000 0.520 223 D N 1.878 121.752 120.400 -0.877 0.000 3.188 223 D HA -0.194 4.446 4.640 0.000 0.000 0.235 223 D C -0.906 175.334 176.300 -0.100 0.000 0.891 223 D CA 1.977 55.591 54.000 -0.643 0.000 2.051 223 D CB -1.164 39.275 40.800 -0.601 0.000 1.262 223 D HN 0.728 nan 8.370 nan 0.000 0.592 224 K N -1.450 118.892 120.400 -0.098 0.000 2.809 224 K HA 0.687 5.007 4.320 0.000 0.000 0.293 224 K C -1.667 174.911 176.600 -0.037 0.000 1.061 224 K CA -0.820 55.481 56.287 0.024 0.000 0.837 224 K CB 1.196 33.724 32.500 0.046 0.000 1.524 224 K HN 0.054 nan 8.250 nan 0.000 0.370 225 S N 0.812 116.513 115.700 0.002 0.000 2.672 225 S HA 0.605 5.075 4.470 0.000 0.000 0.291 225 S C -0.704 173.891 174.600 -0.009 0.000 1.145 225 S CA -0.847 57.348 58.200 -0.008 0.000 1.013 225 S CB 0.505 63.726 63.200 0.035 0.000 1.017 225 S HN 0.557 nan 8.310 nan 0.000 0.487 226 I N -0.327 120.215 120.570 -0.047 0.000 2.892 226 I HA 0.782 4.952 4.170 0.000 0.000 0.306 226 I C -1.158 175.014 176.117 0.091 0.000 1.078 226 I CA -1.231 60.074 61.300 0.008 0.000 1.032 226 I CB 1.879 39.794 38.000 -0.141 0.000 1.229 226 I HN 0.236 nan 8.210 nan 0.000 0.435 227 V N 3.092 123.131 119.914 0.208 0.000 2.304 227 V HA 0.276 4.396 4.120 0.000 0.000 0.269 227 V C -0.772 175.485 176.094 0.272 0.000 1.036 227 V CA 0.076 62.519 62.300 0.238 0.000 0.840 227 V CB 0.471 32.447 31.823 0.254 0.000 1.036 227 V HN 0.686 nan 8.190 nan 0.000 0.466 228 D N 3.134 123.641 120.400 0.178 0.000 2.464 228 D HA 0.216 4.856 4.640 0.000 0.000 0.243 228 D C 1.291 177.659 176.300 0.113 0.000 1.104 228 D CA -0.071 54.018 54.000 0.148 0.000 0.883 228 D CB 1.713 42.573 40.800 0.100 0.000 1.050 228 D HN 0.486 nan 8.370 nan 0.000 0.524 229 S N 1.421 117.178 115.700 0.094 0.000 2.474 229 S HA -0.035 4.435 4.470 0.000 0.000 0.235 229 S C 1.845 176.472 174.600 0.045 0.000 0.997 229 S CA 0.612 58.842 58.200 0.050 0.000 0.949 229 S CB 0.019 63.211 63.200 -0.014 0.000 0.766 229 S HN 0.395 nan 8.310 nan 0.000 0.517 230 G N 0.308 109.130 108.800 0.037 0.000 2.920 230 G HA2 0.284 4.244 3.960 0.000 0.000 0.208 230 G HA3 0.284 4.244 3.960 0.000 0.000 0.208 230 G C 0.201 175.116 174.900 0.025 0.000 1.159 230 G CA 0.184 45.288 45.100 0.008 0.000 0.784 230 G HN 0.499 nan 8.290 nan 0.000 0.535 231 T N -0.582 114.003 114.554 0.052 0.000 2.885 231 T HA 0.423 4.773 4.350 0.000 0.000 0.285 231 T C 1.065 175.805 174.700 0.067 0.000 1.019 231 T CA -0.406 61.724 62.100 0.050 0.000 1.010 231 T CB 2.153 71.046 68.868 0.041 0.000 1.022 231 T HN -0.073 nan 8.240 nan 0.000 0.466 232 T N 2.431 117.022 114.554 0.062 0.000 2.706 232 T HA 0.033 4.383 4.350 0.000 0.000 0.255 232 T C 1.063 175.800 174.700 0.061 0.000 1.048 232 T CA 0.689 62.833 62.100 0.074 0.000 1.153 232 T CB -0.182 68.724 68.868 0.062 0.000 0.865 232 T HN 0.433 nan 8.240 nan 0.000 0.414 233 N N 1.373 120.092 118.700 0.031 0.000 2.288 233 N HA 0.284 5.024 4.740 0.000 0.000 0.237 233 N C -0.599 174.916 175.510 0.008 0.000 1.311 233 N CA -0.481 52.572 53.050 0.006 0.000 0.909 233 N CB 0.035 38.502 38.487 -0.033 0.000 1.167 233 N HN 0.132 nan 8.380 nan 0.000 0.476 234 L N 0.838 122.053 121.223 -0.012 0.000 2.265 234 L HA 0.355 4.695 4.340 0.000 0.000 0.288 234 L C -0.449 176.412 176.870 -0.015 0.000 1.058 234 L CA -0.142 54.697 54.840 -0.003 0.000 0.809 234 L CB 0.262 42.316 42.059 -0.008 0.000 1.179 234 L HN 0.322 nan 8.230 nan 0.000 0.429 235 R N 6.697 127.192 120.500 -0.009 0.000 2.387 235 R HA 0.616 4.956 4.340 0.000 0.000 0.314 235 R C -1.340 174.965 176.300 0.007 0.000 0.958 235 R CA -0.685 55.401 56.100 -0.022 0.000 0.846 235 R CB 1.390 31.663 30.300 -0.046 0.000 1.147 235 R HN 0.668 nan 8.270 nan 0.000 0.447 236 L N 3.557 124.809 121.223 0.049 0.000 2.354 236 L HA 0.500 4.841 4.340 0.000 0.000 0.269 236 L C -2.340 174.587 176.870 0.093 0.000 1.005 236 L CA -2.619 52.282 54.840 0.102 0.000 0.819 236 L CB 2.361 44.540 42.059 0.201 0.000 1.311 236 L HN 0.193 nan 8.230 nan 0.000 0.423 237 P HA -0.036 nan 4.420 nan 0.000 0.265 237 P C 0.336 177.729 177.300 0.155 0.000 1.187 237 P CA -0.017 63.149 63.100 0.111 0.000 0.766 237 P CB 0.635 32.441 31.700 0.175 0.000 0.820 238 K N 3.753 124.226 120.400 0.122 0.000 2.071 238 K HA -0.291 4.029 4.320 0.000 0.000 0.217 238 K C 1.333 178.050 176.600 0.195 0.000 1.054 238 K CA 2.098 58.473 56.287 0.146 0.000 0.937 238 K CB -0.142 32.418 32.500 0.101 0.000 0.719 238 K HN 0.328 nan 8.250 nan 0.000 0.454 239 K N -0.045 120.436 120.400 0.135 0.000 2.148 239 K HA -0.079 4.241 4.320 0.000 0.000 0.204 239 K C 2.032 178.699 176.600 0.112 0.000 1.050 239 K CA 1.280 57.623 56.287 0.094 0.000 0.942 239 K CB 0.079 32.593 32.500 0.023 0.000 0.724 239 K HN 0.041 nan 8.250 nan 0.000 0.446 240 V N 0.846 120.854 119.914 0.156 0.000 2.453 240 V HA -0.195 3.925 4.120 0.000 0.000 0.247 240 V C 1.889 178.083 176.094 0.166 0.000 1.048 240 V CA 1.331 63.739 62.300 0.181 0.000 1.049 240 V CB -0.490 31.479 31.823 0.243 0.000 0.672 240 V HN 0.201 nan 8.190 nan 0.000 0.457 241 F N 1.574 121.562 119.950 0.063 0.000 2.134 241 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 241 F C 2.352 178.185 175.800 0.055 0.000 1.097 241 F CA 2.060 60.096 58.000 0.060 0.000 1.264 241 F CB -0.160 38.877 39.000 0.062 0.000 1.001 241 F HN 0.225 nan 8.300 nan 0.000 0.479 242 E N 0.113 120.357 120.200 0.073 0.000 2.072 242 E HA -0.167 4.183 4.350 0.000 0.000 0.191 242 E C 2.374 178.906 176.600 -0.114 0.000 0.985 242 E CA 0.986 57.360 56.400 -0.043 0.000 0.801 242 E CB -0.444 29.292 29.700 0.060 0.000 0.750 242 E HN 0.489 nan 8.360 nan 0.000 0.452 243 A N 1.540 124.330 122.820 -0.050 0.000 1.930 243 A HA -0.054 4.266 4.320 0.000 0.000 0.217 243 A C 2.372 179.905 177.584 -0.085 0.000 1.175 243 A CA 1.548 53.556 52.037 -0.049 0.000 0.627 243 A CB -0.531 18.474 19.000 0.008 0.000 0.815 243 A HN 0.280 nan 8.150 nan 0.000 0.443 244 A N -0.475 122.283 122.820 -0.102 0.000 1.855 244 A HA 0.014 4.334 4.320 0.000 0.000 0.215 244 A C 2.203 179.678 177.584 -0.183 0.000 1.191 244 A CA 1.729 53.697 52.037 -0.115 0.000 0.613 244 A CB -1.029 17.913 19.000 -0.097 0.000 0.829 244 A HN 0.396 nan 8.150 nan 0.000 0.442 245 V N 0.522 120.235 119.914 -0.335 0.000 2.392 245 V HA -0.297 3.823 4.120 0.000 0.000 0.249 245 V C 2.542 178.372 176.094 -0.441 0.000 1.059 245 V CA 2.453 64.498 62.300 -0.423 0.000 1.051 245 V CB -0.735 30.716 31.823 -0.621 0.000 0.658 245 V HN 0.700 nan 8.190 nan 0.000 0.455 246 K N -0.008 120.200 120.400 -0.320 0.000 2.032 246 K HA -0.224 4.096 4.320 0.000 0.000 0.209 246 K C 2.520 179.002 176.600 -0.196 0.000 1.048 246 K CA 1.907 58.040 56.287 -0.257 0.000 0.927 246 K CB -0.365 32.037 32.500 -0.165 0.000 0.712 246 K HN 0.395 nan 8.250 nan 0.000 0.441 247 S N 0.494 116.113 115.700 -0.134 0.000 2.356 247 S HA -0.100 4.370 4.470 0.000 0.000 0.223 247 S C 1.944 176.512 174.600 -0.053 0.000 1.032 247 S CA 1.264 59.420 58.200 -0.073 0.000 1.005 247 S CB -0.283 62.893 63.200 -0.040 0.000 0.867 247 S HN 0.361 nan 8.310 nan 0.000 0.449 248 I N 0.998 121.534 120.570 -0.057 0.000 2.226 248 I HA -0.200 3.970 4.170 0.000 0.000 0.245 248 I C 2.667 178.799 176.117 0.025 0.000 1.100 248 I CA 1.289 62.626 61.300 0.062 0.000 1.374 248 I CB -0.343 37.752 38.000 0.159 0.000 1.057 248 I HN 0.300 nan 8.210 nan 0.000 0.413 249 K N 0.910 121.152 120.400 -0.262 0.000 2.009 249 K HA -0.189 4.131 4.320 0.000 0.000 0.210 249 K C 2.289 178.855 176.600 -0.056 0.000 1.049 249 K CA 1.694 57.813 56.287 -0.280 0.000 0.929 249 K CB -0.299 31.876 32.500 -0.540 0.000 0.714 249 K HN 0.303 nan 8.250 nan 0.000 0.440 250 A N 1.204 123.974 122.820 -0.084 0.000 1.940 250 A HA -0.172 4.148 4.320 0.000 0.000 0.219 250 A C 2.261 179.836 177.584 -0.014 0.000 1.176 250 A CA 2.042 54.053 52.037 -0.043 0.000 0.631 250 A CB -0.644 18.326 19.000 -0.049 0.000 0.814 250 A HN 0.402 nan 8.150 nan 0.000 0.446 251 A N -0.276 122.545 122.820 0.001 0.000 2.066 251 A HA 0.085 4.405 4.320 0.000 0.000 0.218 251 A C 2.080 179.644 177.584 -0.034 0.000 1.157 251 A CA 1.775 53.815 52.037 0.005 0.000 0.670 251 A CB -0.459 18.570 19.000 0.047 0.000 0.804 251 A HN 1.008 nan 8.150 nan 0.000 0.453 252 S N -0.639 115.049 115.700 -0.021 0.000 2.593 252 S HA 0.062 4.532 4.470 0.000 0.000 0.236 252 S C 1.220 175.845 174.600 0.041 0.000 0.991 252 S CA 0.544 58.686 58.200 -0.098 0.000 0.963 252 S CB -0.403 62.644 63.200 -0.255 0.000 0.865 252 S HN 0.621 nan 8.310 nan 0.000 0.488 253 S N 1.867 117.590 115.700 0.038 0.000 2.571 253 S HA -0.125 4.345 4.470 0.000 0.000 0.245 253 S C 1.641 176.228 174.600 -0.022 0.000 0.976 253 S CA 1.125 59.343 58.200 0.029 0.000 0.954 253 S CB -1.423 61.781 63.200 0.007 0.000 0.756 253 S HN 0.780 nan 8.310 nan 0.000 0.535 254 T N -1.169 113.357 114.554 -0.045 0.000 3.215 254 T HA 0.245 4.595 4.350 0.000 0.000 0.254 254 T C 0.170 174.817 174.700 -0.088 0.000 1.149 254 T CA -0.064 61.999 62.100 -0.063 0.000 1.042 254 T CB -0.303 68.525 68.868 -0.068 0.000 0.966 254 T HN 0.555 nan 8.240 nan 0.000 0.534 255 E N 0.174 120.298 120.200 -0.127 0.000 2.392 255 E HA 0.461 4.811 4.350 0.000 0.000 0.279 255 E C -1.176 175.133 176.600 -0.484 0.000 0.964 255 E CA -1.143 55.088 56.400 -0.282 0.000 0.777 255 E CB 1.617 31.160 29.700 -0.262 0.000 1.249 255 E HN -0.066 nan 8.360 nan 0.000 0.449 256 K N 1.519 121.572 120.400 -0.579 0.000 2.207 256 K HA 0.596 4.916 4.320 0.000 0.000 0.255 256 K C -0.991 175.163 176.600 -0.745 0.000 0.941 256 K CA -0.478 55.530 56.287 -0.464 0.000 0.825 256 K CB 0.834 33.223 32.500 -0.185 0.000 1.119 256 K HN 0.356 nan 8.250 nan 0.000 0.430 257 F N 2.193 122.175 119.950 0.053 0.000 2.565 257 F HA 0.372 4.899 4.527 0.000 0.000 0.313 257 F C -1.732 174.107 175.800 0.065 0.000 1.091 257 F CA -2.073 55.875 58.000 -0.087 0.000 0.915 257 F CB 1.449 40.226 39.000 -0.372 0.000 1.208 257 F HN 0.328 nan 8.300 nan 0.000 0.453 258 P HA 0.047 nan 4.420 nan 0.000 0.269 258 P C -0.011 177.465 177.300 0.292 0.000 1.209 258 P CA -0.050 63.162 63.100 0.186 0.000 0.776 258 P CB 1.156 32.924 31.700 0.113 0.000 0.876 259 D N 2.047 122.622 120.400 0.292 0.000 2.221 259 D HA -0.117 4.523 4.640 0.000 0.000 0.204 259 D C 2.067 178.544 176.300 0.295 0.000 0.982 259 D CA 1.648 55.865 54.000 0.362 0.000 0.857 259 D CB -0.477 40.471 40.800 0.247 0.000 0.934 259 D HN 0.632 nan 8.370 nan 0.000 0.475 260 G N 0.475 109.400 108.800 0.208 0.000 2.450 260 G HA2 -0.288 3.672 3.960 0.000 0.000 0.220 260 G HA3 -0.288 3.672 3.960 0.000 0.000 0.220 260 G C 1.412 176.401 174.900 0.148 0.000 1.130 260 G CA 0.207 45.403 45.100 0.161 0.000 0.760 260 G HN 0.235 nan 8.290 nan 0.000 0.557 261 F N 0.519 120.450 119.950 -0.031 0.000 2.102 261 F HA -0.037 4.490 4.527 -0.000 0.000 0.298 261 F C 2.169 177.828 175.800 -0.234 0.000 1.105 261 F CA 1.228 59.103 58.000 -0.209 0.000 1.239 261 F CB -0.356 38.371 39.000 -0.454 0.000 0.991 261 F HN 0.233 nan 8.300 nan 0.000 0.474 262 W N 0.337 121.600 121.300 -0.061 0.000 2.721 262 W HA 0.022 4.682 4.660 -0.000 0.000 0.245 262 W C 1.421 178.032 176.519 0.154 0.000 1.276 262 W CA 0.286 57.515 57.345 -0.193 0.000 1.342 262 W CB -0.408 29.001 29.460 -0.085 0.000 1.135 262 W HN 0.020 nan 8.180 nan 0.000 0.654 263 L N 0.031 121.416 121.223 0.270 0.000 2.693 263 L HA 0.373 4.713 4.340 0.000 0.000 0.235 263 L C 1.783 178.741 176.870 0.147 0.000 1.127 263 L CA 0.410 55.401 54.840 0.251 0.000 0.914 263 L CB -0.412 41.763 42.059 0.192 0.000 1.193 263 L HN 0.114 nan 8.230 nan 0.000 0.502 264 G N 0.611 109.458 108.800 0.078 0.000 2.179 264 G HA2 -0.300 3.660 3.960 0.000 0.000 0.257 264 G HA3 -0.300 3.660 3.960 0.000 0.000 0.257 264 G C 0.681 175.598 174.900 0.029 0.000 1.010 264 G CA 0.782 45.896 45.100 0.022 0.000 0.736 264 G HN 0.504 nan 8.290 nan 0.000 0.513 265 E N -0.470 119.757 120.200 0.046 0.000 2.099 265 E HA 0.068 4.418 4.350 0.000 0.000 0.191 265 E C 1.400 178.034 176.600 0.057 0.000 0.962 265 E CA 1.076 57.508 56.400 0.054 0.000 0.826 265 E CB 0.047 29.788 29.700 0.068 0.000 0.788 265 E HN 0.853 nan 8.360 nan 0.000 0.461 266 Q N 1.249 121.095 119.800 0.077 0.000 2.342 266 Q HA 0.489 4.829 4.340 0.000 0.000 0.267 266 Q C -0.712 175.386 176.000 0.162 0.000 1.038 266 Q CA -1.065 54.796 55.803 0.097 0.000 0.832 266 Q CB 1.745 30.540 28.738 0.096 0.000 1.323 266 Q HN -0.043 nan 8.270 nan 0.000 0.448 267 L N -0.261 121.042 121.223 0.132 0.000 2.421 267 L HA 0.728 5.068 4.340 0.000 0.000 0.263 267 L C -0.378 176.564 176.870 0.121 0.000 1.122 267 L CA -0.764 54.183 54.840 0.179 0.000 0.804 267 L CB 0.571 42.684 42.059 0.090 0.000 1.150 267 L HN 0.470 nan 8.230 nan 0.000 0.457 268 V N -0.097 119.864 119.914 0.078 0.000 2.715 268 V HA 0.630 4.750 4.120 0.000 0.000 0.310 268 V C -0.367 175.540 176.094 -0.310 0.000 1.054 268 V CA -0.270 61.864 62.300 -0.277 0.000 0.928 268 V CB 1.818 33.214 31.823 -0.713 0.000 1.007 268 V HN 1.102 nan 8.190 nan 0.000 0.437 269 C N 3.189 122.186 119.300 -0.505 0.000 2.779 269 C HA 0.773 5.233 4.460 0.000 0.000 0.314 269 C C -0.914 173.728 174.990 -0.581 0.000 1.231 269 C CA -1.057 57.751 59.018 -0.349 0.000 1.652 269 C CB 1.717 29.354 27.740 -0.171 0.000 2.198 269 C HN 0.866 nan 8.230 nan 0.000 0.483 270 W N -0.316 121.013 121.300 0.049 0.000 3.075 270 W HA 0.355 5.015 4.660 0.000 0.000 0.334 270 W C -1.187 175.344 176.519 0.019 0.000 1.243 270 W CA -0.511 56.844 57.345 0.017 0.000 1.170 270 W CB 1.117 30.572 29.460 -0.008 0.000 1.452 270 W HN 0.541 nan 8.180 nan 0.000 0.572 271 Q N 1.145 121.097 119.800 0.253 0.000 2.255 271 Q HA 0.327 4.667 4.340 0.000 0.000 0.280 271 Q C 0.439 176.525 176.000 0.143 0.000 1.068 271 Q CA 0.105 55.994 55.803 0.144 0.000 0.911 271 Q CB 0.155 28.957 28.738 0.107 0.000 1.157 271 Q HN 0.358 nan 8.270 nan 0.000 0.380 272 A N 2.934 125.822 122.820 0.112 0.000 2.470 272 A HA 0.255 4.575 4.320 0.000 0.000 0.290 272 A C 1.368 179.016 177.584 0.106 0.000 1.120 272 A CA 1.095 53.196 52.037 0.106 0.000 1.013 272 A CB -1.370 17.672 19.000 0.070 0.000 0.914 272 A HN 1.152 nan 8.150 nan 0.000 0.525 273 G N 1.261 110.141 108.800 0.133 0.000 2.255 273 G HA2 -0.167 3.793 3.960 0.000 0.000 0.196 273 G HA3 -0.167 3.793 3.960 0.000 0.000 0.196 273 G C 0.758 175.705 174.900 0.077 0.000 0.998 273 G CA 0.603 45.773 45.100 0.117 0.000 0.656 273 G HN 1.914 nan 8.290 nan 0.000 0.490 274 T N -0.160 114.423 114.554 0.048 0.000 3.223 274 T HA 0.431 4.781 4.350 0.000 0.000 0.259 274 T C 0.716 175.260 174.700 -0.261 0.000 1.015 274 T CA 0.747 62.822 62.100 -0.041 0.000 0.908 274 T CB 0.346 69.220 68.868 0.010 0.000 1.054 274 T HN 0.295 nan 8.240 nan 0.000 0.567 275 T N 5.895 120.226 114.554 -0.372 0.000 2.867 275 T HA 0.170 4.520 4.350 0.000 0.000 0.297 275 T C -1.979 172.064 174.700 -1.095 0.000 0.989 275 T CA -0.700 60.787 62.100 -1.022 0.000 1.159 275 T CB 0.710 68.780 68.868 -1.330 0.000 0.928 275 T HN 0.231 nan 8.240 nan 0.000 0.538 276 P HA 0.085 nan 4.420 nan 0.000 0.225 276 P C 0.276 177.374 177.300 -0.336 0.000 1.768 276 P CA -0.276 62.450 63.100 -0.623 0.000 0.943 276 P CB -0.406 30.954 31.700 -0.566 0.000 1.936 277 W N 1.910 123.107 121.300 -0.173 0.000 2.313 277 W HA -0.264 4.396 4.660 0.000 0.000 0.293 277 W C 2.055 178.583 176.519 0.015 0.000 1.216 277 W CA 1.357 58.676 57.345 -0.044 0.000 1.223 277 W CB -1.446 27.969 29.460 -0.075 0.000 1.138 277 W HN 0.318 nan 8.180 nan 0.000 0.535 278 N N 1.543 120.323 118.700 0.134 0.000 2.381 278 N HA -0.169 4.571 4.740 0.000 0.000 0.182 278 N C 1.488 177.003 175.510 0.008 0.000 1.025 278 N CA 1.700 54.770 53.050 0.034 0.000 0.888 278 N CB -0.901 37.529 38.487 -0.094 0.000 0.965 278 N HN 0.373 nan 8.380 nan 0.000 0.438 279 I N -4.087 116.444 120.570 -0.065 0.000 3.419 279 I HA 0.236 4.406 4.170 0.000 0.000 0.286 279 I C -0.478 175.519 176.117 -0.200 0.000 1.268 279 I CA -0.172 61.024 61.300 -0.173 0.000 1.414 279 I CB -0.211 37.610 38.000 -0.299 0.000 1.074 279 I HN -0.149 nan 8.210 nan 0.000 0.457 280 F N 4.762 124.795 119.950 0.139 0.000 2.411 280 F HA 0.501 5.028 4.527 -0.000 0.000 0.355 280 F C -1.891 174.057 175.800 0.247 0.000 1.117 280 F CA -2.898 55.250 58.000 0.246 0.000 1.139 280 F CB 0.432 39.589 39.000 0.261 0.000 1.120 280 F HN -0.109 nan 8.300 nan 0.000 0.493 281 P HA 0.133 nan 4.420 nan 0.000 0.272 281 P C -0.802 176.720 177.300 0.369 0.000 1.240 281 P CA -0.186 63.099 63.100 0.308 0.000 0.791 281 P CB 1.419 33.258 31.700 0.233 0.000 0.978 282 V N -0.784 119.277 119.914 0.245 0.000 2.481 282 V HA 0.505 4.625 4.120 0.000 0.000 0.286 282 V C 0.209 176.415 176.094 0.188 0.000 1.042 282 V CA -0.809 61.627 62.300 0.227 0.000 0.928 282 V CB 0.696 32.603 31.823 0.141 0.000 0.986 282 V HN 0.288 nan 8.190 nan 0.000 0.462 283 I N 3.470 124.158 120.570 0.197 0.000 2.336 283 I HA 0.405 4.575 4.170 0.000 0.000 0.292 283 I C 0.277 176.410 176.117 0.027 0.000 0.991 283 I CA 0.005 61.362 61.300 0.095 0.000 1.227 283 I CB 1.818 39.862 38.000 0.074 0.000 1.366 283 I HN 0.680 nan 8.210 nan 0.000 0.466 284 S N 7.315 122.999 115.700 -0.027 0.000 2.498 284 S HA 0.516 4.986 4.470 0.000 0.000 0.324 284 S C -0.291 174.201 174.600 -0.181 0.000 1.071 284 S CA -0.571 57.546 58.200 -0.139 0.000 1.113 284 S CB 0.580 63.696 63.200 -0.140 0.000 0.976 284 S HN 0.354 nan 8.310 nan 0.000 0.462 285 L N 4.415 125.465 121.223 -0.289 0.000 2.255 285 L HA 0.417 4.757 4.340 0.000 0.000 0.289 285 L C -1.060 175.540 176.870 -0.450 0.000 1.046 285 L CA -0.675 53.983 54.840 -0.304 0.000 0.816 285 L CB 0.238 42.114 42.059 -0.306 0.000 1.197 285 L HN 0.591 nan 8.230 nan 0.000 0.427 286 Y N 4.204 124.233 120.300 -0.452 0.000 2.365 286 Y HA 0.357 4.907 4.550 -0.000 0.000 0.340 286 Y C 0.239 175.818 175.900 -0.536 0.000 1.016 286 Y CA -0.265 57.520 58.100 -0.524 0.000 1.196 286 Y CB 0.736 38.913 38.460 -0.472 0.000 1.167 286 Y HN 0.386 nan 8.280 nan 0.000 0.509 287 L N 4.996 125.795 121.223 -0.707 0.000 2.309 287 L HA 0.425 4.765 4.340 0.000 0.000 0.282 287 L C 0.254 176.763 176.870 -0.603 0.000 1.036 287 L CA -0.936 53.468 54.840 -0.727 0.000 0.806 287 L CB 1.387 42.800 42.059 -1.075 0.000 1.220 287 L HN 0.650 nan 8.230 nan 0.000 0.429 288 M N 2.235 121.680 119.600 -0.259 0.000 2.252 288 M HA 0.243 4.723 4.480 0.000 0.000 0.348 288 M C 0.412 176.714 176.300 0.003 0.000 1.334 288 M CA 0.292 55.539 55.300 -0.087 0.000 1.071 288 M CB 0.678 33.277 32.600 -0.003 0.000 1.763 288 M HN 0.630 nan 8.290 nan 0.000 0.452 289 G N 3.508 112.377 108.800 0.115 0.000 2.528 289 G HA2 0.227 4.187 3.960 0.000 0.000 0.289 289 G HA3 0.227 4.187 3.960 0.000 0.000 0.289 289 G C 0.034 175.069 174.900 0.224 0.000 1.192 289 G CA -0.545 44.726 45.100 0.285 0.000 0.921 289 G HN 0.951 nan 8.290 nan 0.000 0.512 290 E N -1.297 119.051 120.200 0.247 0.000 2.153 290 E HA -0.072 4.278 4.350 0.000 0.000 0.194 290 E C 0.362 177.041 176.600 0.131 0.000 0.988 290 E CA 0.672 57.170 56.400 0.164 0.000 0.811 290 E CB 0.085 29.869 29.700 0.139 0.000 0.746 290 E HN 0.117 nan 8.360 nan 0.000 0.466 291 V N 0.968 120.974 119.914 0.154 0.000 2.448 291 V HA 0.033 4.153 4.120 0.000 0.000 0.295 291 V C 0.999 177.177 176.094 0.141 0.000 1.025 291 V CA -0.298 62.077 62.300 0.125 0.000 0.859 291 V CB 1.742 33.636 31.823 0.118 0.000 0.988 291 V HN 0.036 nan 8.190 nan 0.000 0.431 292 T N 3.209 117.828 114.554 0.108 0.000 2.869 292 T HA -0.141 4.209 4.350 0.000 0.000 0.270 292 T C 1.407 176.178 174.700 0.119 0.000 1.082 292 T CA 2.257 64.418 62.100 0.101 0.000 1.123 292 T CB -0.273 68.638 68.868 0.072 0.000 0.856 292 T HN 0.895 nan 8.240 nan 0.000 0.499 293 N N 0.359 119.135 118.700 0.126 0.000 2.235 293 N HA 0.053 4.793 4.740 0.000 0.000 0.209 293 N C 0.595 176.216 175.510 0.184 0.000 1.122 293 N CA -0.007 53.122 53.050 0.132 0.000 0.845 293 N CB 0.094 38.639 38.487 0.096 0.000 1.004 293 N HN 0.314 nan 8.380 nan 0.000 0.499 294 Q N -0.171 119.775 119.800 0.242 0.000 2.129 294 Q HA 0.308 4.648 4.340 0.000 0.000 0.274 294 Q C -0.624 175.667 176.000 0.485 0.000 0.854 294 Q CA -0.274 55.759 55.803 0.383 0.000 1.123 294 Q CB 0.837 29.788 28.738 0.355 0.000 1.226 294 Q HN 0.148 nan 8.270 nan 0.000 0.454 295 S N 0.841 116.747 115.700 0.343 0.000 2.608 295 S HA 0.514 4.984 4.470 0.000 0.000 0.261 295 S C -0.232 174.560 174.600 0.320 0.000 1.314 295 S CA -0.221 58.138 58.200 0.264 0.000 0.992 295 S CB 0.343 63.620 63.200 0.129 0.000 0.935 295 S HN 0.357 nan 8.310 nan 0.000 0.564 296 F N -1.225 118.728 119.950 0.004 0.000 2.715 296 F HA 0.809 5.336 4.527 0.000 0.000 0.318 296 F C -0.648 174.892 175.800 -0.433 0.000 1.141 296 F CA -1.549 56.313 58.000 -0.230 0.000 0.950 296 F CB 1.289 39.977 39.000 -0.520 0.000 1.374 296 F HN 0.559 nan 8.300 nan 0.000 0.477 297 R N 1.681 121.912 120.500 -0.448 0.000 2.744 297 R HA 0.827 5.167 4.340 0.000 0.000 0.279 297 R C -1.597 174.428 176.300 -0.459 0.000 0.977 297 R CA -0.933 54.657 56.100 -0.849 0.000 0.906 297 R CB 2.498 31.760 30.300 -1.729 0.000 1.197 297 R HN 0.982 nan 8.270 nan 0.000 0.463 298 I N -0.382 119.890 120.570 -0.497 0.000 2.378 298 I HA 0.461 4.631 4.170 0.000 0.000 0.291 298 I C -1.001 174.996 176.117 -0.200 0.000 0.992 298 I CA -0.696 60.367 61.300 -0.394 0.000 1.154 298 I CB 2.354 39.859 38.000 -0.824 0.000 1.315 298 I HN 0.490 nan 8.210 nan 0.000 0.448 299 T N 7.928 122.506 114.554 0.041 0.000 2.771 299 T HA 0.582 4.932 4.350 0.000 0.000 0.281 299 T C -0.080 174.764 174.700 0.239 0.000 0.982 299 T CA -0.397 61.752 62.100 0.081 0.000 0.978 299 T CB 1.303 70.196 68.868 0.040 0.000 0.930 299 T HN 0.659 nan 8.240 nan 0.000 0.447 300 I N 1.804 122.490 120.570 0.195 0.000 2.441 300 I HA 0.660 4.830 4.170 0.000 0.000 0.295 300 I C -0.905 175.303 176.117 0.151 0.000 0.994 300 I CA -1.148 60.274 61.300 0.203 0.000 1.144 300 I CB 1.084 39.234 38.000 0.249 0.000 1.314 300 I HN 0.450 nan 8.210 nan 0.000 0.445 301 L N 6.345 127.592 121.223 0.041 0.000 2.416 301 L HA 0.491 4.831 4.340 0.000 0.000 0.262 301 L C -1.292 175.424 176.870 -0.257 0.000 1.093 301 L CA -1.677 53.137 54.840 -0.043 0.000 0.801 301 L CB 0.871 42.864 42.059 -0.110 0.000 1.191 301 L HN 0.499 nan 8.230 nan 0.000 0.459 302 P HA -0.174 nan 4.420 nan 0.000 0.220 302 P C 0.890 177.848 177.300 -0.570 0.000 1.148 302 P CA 1.152 63.688 63.100 -0.940 0.000 0.803 302 P CB 0.280 31.844 31.700 -0.227 0.000 0.782 303 Q N -0.157 119.345 119.800 -0.497 0.000 2.297 303 Q HA -0.154 4.186 4.340 0.000 0.000 0.208 303 Q C 2.414 178.287 176.000 -0.212 0.000 0.981 303 Q CA 1.545 57.022 55.803 -0.543 0.000 0.876 303 Q CB -0.614 27.703 28.738 -0.701 0.000 0.921 303 Q HN 0.456 nan 8.270 nan 0.000 0.446 304 Q N -1.297 118.385 119.800 -0.196 0.000 2.165 304 Q HA -0.067 4.273 4.340 0.000 0.000 0.197 304 Q C 0.995 177.023 176.000 0.046 0.000 0.952 304 Q CA 0.947 56.726 55.803 -0.040 0.000 0.848 304 Q CB 0.184 28.932 28.738 0.016 0.000 0.931 304 Q HN 0.673 nan 8.270 nan 0.000 0.470 305 Y N -1.522 118.813 120.300 0.057 0.000 2.461 305 Y HA 0.395 4.945 4.550 -0.000 0.000 0.277 305 Y C -0.032 175.898 175.900 0.050 0.000 1.182 305 Y CA -0.177 57.931 58.100 0.014 0.000 1.276 305 Y CB -0.058 38.393 38.460 -0.015 0.000 1.087 305 Y HN -0.144 nan 8.280 nan 0.000 0.519 306 L N 2.685 123.966 121.223 0.097 0.000 2.408 306 L HA 0.428 4.768 4.340 0.000 0.000 0.257 306 L C -0.170 176.915 176.870 0.358 0.000 1.053 306 L CA -0.538 54.429 54.840 0.212 0.000 0.922 306 L CB 0.962 43.041 42.059 0.033 0.000 1.261 306 L HN 0.091 nan 8.230 nan 0.000 0.458 307 R N 3.520 124.194 120.500 0.288 0.000 2.340 307 R HA 0.333 4.673 4.340 0.000 0.000 0.300 307 R C -2.414 174.023 176.300 0.229 0.000 1.069 307 R CA -1.364 54.875 56.100 0.232 0.000 0.984 307 R CB 1.024 31.402 30.300 0.129 0.000 1.003 307 R HN 0.153 nan 8.270 nan 0.000 0.459 308 P HA 0.071 nan 4.420 nan 0.000 0.280 308 P C -1.300 175.953 177.300 -0.078 0.000 1.244 308 P CA -0.295 62.737 63.100 -0.112 0.000 0.784 308 P CB 1.204 32.854 31.700 -0.085 0.000 0.913 309 V N -0.507 119.332 119.914 -0.125 0.000 3.178 309 V HA 0.823 4.943 4.120 0.000 0.000 0.302 309 V C -0.456 175.590 176.094 -0.080 0.000 1.262 309 V CA -1.235 61.024 62.300 -0.068 0.000 1.030 309 V CB 1.516 33.324 31.823 -0.024 0.000 1.074 309 V HN 0.567 nan 8.190 nan 0.000 0.438 318 D N 0.371 120.821 120.400 0.083 0.000 2.381 318 D HA 0.484 5.124 4.640 0.000 0.000 0.235 318 D C -0.692 175.617 176.300 0.015 0.000 1.068 318 D CA 0.045 54.082 54.000 0.062 0.000 0.832 318 D CB 0.777 41.730 40.800 0.256 0.000 1.101 318 D HN 0.212 nan 8.370 nan 0.000 0.515 319 C N 2.977 122.127 119.300 -0.249 0.000 2.493 319 C HA 0.683 5.143 4.460 0.000 0.000 0.326 319 C C -0.709 173.997 174.990 -0.473 0.000 1.200 319 C CA -0.802 58.098 59.018 -0.196 0.000 1.739 319 C CB 0.113 27.788 27.740 -0.108 0.000 2.300 319 C HN 0.510 nan 8.230 nan 0.000 0.500 320 Y N -0.083 120.273 120.300 0.093 0.000 2.562 320 Y HA 0.555 5.105 4.550 0.000 0.000 0.345 320 Y C 0.011 176.027 175.900 0.193 0.000 1.045 320 Y CA -0.911 57.280 58.100 0.152 0.000 1.028 320 Y CB 1.271 39.849 38.460 0.197 0.000 1.297 320 Y HN 0.466 nan 8.280 nan 0.000 0.463 321 K N 1.407 121.981 120.400 0.291 0.000 2.207 321 K HA 0.385 4.705 4.320 0.000 0.000 0.255 321 K C -1.430 175.236 176.600 0.110 0.000 0.941 321 K CA -0.952 55.431 56.287 0.159 0.000 0.825 321 K CB 1.663 34.212 32.500 0.081 0.000 1.119 321 K HN 0.537 nan 8.250 nan 0.000 0.430 322 F N 2.333 122.042 119.950 -0.401 0.000 2.494 322 F HA 0.132 4.659 4.527 0.000 0.000 0.369 322 F C 0.556 176.294 175.800 -0.104 0.000 1.098 322 F CA -0.602 57.157 58.000 -0.401 0.000 1.154 322 F CB 0.376 38.854 39.000 -0.870 0.000 1.103 322 F HN 0.622 nan 8.300 nan 0.000 0.549 323 A N 7.784 130.466 122.820 -0.231 0.000 2.476 323 A HA 0.359 4.679 4.320 0.000 0.000 0.263 323 A C 0.212 177.597 177.584 -0.331 0.000 1.342 323 A CA -0.110 51.814 52.037 -0.188 0.000 0.926 323 A CB -1.156 17.834 19.000 -0.018 0.000 1.019 323 A HN 0.612 nan 8.150 nan 0.000 0.515 324 I N 1.032 121.156 120.570 -0.742 0.000 2.436 324 I HA 0.355 4.525 4.170 0.000 0.000 0.289 324 I C -0.330 175.721 176.117 -0.111 0.000 1.010 324 I CA -0.337 60.669 61.300 -0.491 0.000 1.098 324 I CB 2.304 39.881 38.000 -0.706 0.000 1.266 324 I HN 0.255 nan 8.210 nan 0.000 0.434 325 S N 4.390 120.087 115.700 -0.005 0.000 2.627 325 S HA 0.565 5.035 4.470 0.000 0.000 0.283 325 S C -0.879 173.410 174.600 -0.518 0.000 1.127 325 S CA -1.061 57.029 58.200 -0.184 0.000 0.863 325 S CB 1.853 64.964 63.200 -0.148 0.000 1.121 325 S HN 0.634 nan 8.310 nan 0.000 0.479 326 Q N 0.274 119.398 119.800 -1.127 0.000 2.260 326 Q HA 0.723 5.063 4.340 0.000 0.000 0.238 326 Q C -0.391 175.414 176.000 -0.326 0.000 0.948 326 Q CA -0.644 54.685 55.803 -0.790 0.000 0.895 326 Q CB 1.106 29.291 28.738 -0.921 0.000 1.218 326 Q HN 0.579 nan 8.270 nan 0.000 0.470 327 S N -0.079 115.516 115.700 -0.175 0.000 2.566 327 S HA 0.396 4.866 4.470 0.000 0.000 0.298 327 S C -0.010 174.537 174.600 -0.089 0.000 1.083 327 S CA -0.213 57.917 58.200 -0.116 0.000 0.978 327 S CB 1.635 64.779 63.200 -0.095 0.000 1.073 327 S HN 0.747 nan 8.310 nan 0.000 0.491 328 S N 0.653 116.299 115.700 -0.090 0.000 2.559 328 S HA 0.132 4.602 4.470 0.000 0.000 0.226 328 S C 0.678 175.194 174.600 -0.139 0.000 1.000 328 S CA 0.378 58.528 58.200 -0.085 0.000 0.948 328 S CB -0.126 63.041 63.200 -0.055 0.000 0.870 328 S HN 0.884 nan 8.310 nan 0.000 0.497 329 T N -1.201 113.262 114.554 -0.151 0.000 3.355 329 T HA 0.635 4.985 4.350 0.000 0.000 0.276 329 T C 0.803 175.363 174.700 -0.233 0.000 1.003 329 T CA -0.006 61.979 62.100 -0.193 0.000 0.943 329 T CB -0.065 68.711 68.868 -0.153 0.000 1.158 329 T HN 1.185 nan 8.240 nan 0.000 0.513 330 G N 1.271 109.928 108.800 -0.238 0.000 2.728 330 G HA2 -0.099 3.861 3.960 0.000 0.000 0.294 330 G HA3 -0.099 3.861 3.960 0.000 0.000 0.294 330 G C -0.382 174.450 174.900 -0.113 0.000 1.342 330 G CA -0.645 44.338 45.100 -0.195 0.000 0.866 330 G HN 0.574 nan 8.290 nan 0.000 0.534 331 T N 0.148 114.662 114.554 -0.067 0.000 2.851 331 T HA 0.483 4.833 4.350 0.000 0.000 0.298 331 T C 0.338 175.004 174.700 -0.057 0.000 0.977 331 T CA 0.132 62.213 62.100 -0.032 0.000 1.126 331 T CB 1.349 70.220 68.868 0.005 0.000 0.916 331 T HN 1.102 nan 8.240 nan 0.000 0.529 332 V N 5.210 125.100 119.914 -0.040 0.000 2.376 332 V HA 0.309 4.429 4.120 0.000 0.000 0.287 332 V C 0.002 176.099 176.094 0.006 0.000 1.015 332 V CA -0.664 61.617 62.300 -0.031 0.000 0.834 332 V CB 1.384 33.184 31.823 -0.038 0.000 1.001 332 V HN 0.907 nan 8.190 nan 0.000 0.428 333 M N 4.648 124.266 119.600 0.030 0.000 2.497 333 M HA 0.356 4.836 4.480 0.000 0.000 0.336 333 M C 1.013 177.364 176.300 0.085 0.000 1.378 333 M CA 0.141 55.474 55.300 0.056 0.000 1.375 333 M CB 0.479 33.120 32.600 0.069 0.000 1.337 333 M HN 0.804 nan 8.290 nan 0.000 0.461 334 G N 0.925 109.769 108.800 0.073 0.000 2.508 334 G HA2 0.447 4.407 3.960 0.000 0.000 0.278 334 G HA3 0.447 4.407 3.960 0.000 0.000 0.278 334 G C 0.917 175.881 174.900 0.107 0.000 1.389 334 G CA 0.055 45.205 45.100 0.084 0.000 1.050 334 G HN 0.716 nan 8.290 nan 0.000 0.522 335 A N -1.056 121.832 122.820 0.112 0.000 1.892 335 A HA -0.095 4.225 4.320 0.000 0.000 0.218 335 A C 2.605 180.274 177.584 0.141 0.000 1.188 335 A CA 3.290 55.408 52.037 0.136 0.000 0.631 335 A CB -1.110 18.017 19.000 0.212 0.000 0.822 335 A HN 1.376 nan 8.150 nan 0.000 0.447 336 V N -2.530 117.462 119.914 0.130 0.000 2.720 336 V HA -0.145 3.975 4.120 0.000 0.000 0.256 336 V C 1.990 178.177 176.094 0.156 0.000 1.082 336 V CA 1.671 64.048 62.300 0.129 0.000 1.101 336 V CB -0.774 31.116 31.823 0.111 0.000 0.693 336 V HN 0.437 nan 8.190 nan 0.000 0.479 337 I N -0.392 120.279 120.570 0.169 0.000 2.585 337 I HA 0.032 4.202 4.170 0.000 0.000 0.254 337 I C 2.497 178.822 176.117 0.347 0.000 1.129 337 I CA 1.541 62.977 61.300 0.227 0.000 1.455 337 I CB -0.537 37.553 38.000 0.149 0.000 1.111 337 I HN 0.346 nan 8.210 nan 0.000 0.433 338 M N 0.031 119.788 119.600 0.262 0.000 2.236 338 M HA -0.118 4.362 4.480 0.000 0.000 0.266 338 M C 1.964 178.411 176.300 0.246 0.000 1.070 338 M CA 1.226 56.692 55.300 0.276 0.000 1.137 338 M CB -0.346 32.332 32.600 0.130 0.000 1.378 338 M HN 0.116 nan 8.290 nan 0.000 0.426 339 E N 0.396 120.680 120.200 0.141 0.000 2.147 339 E HA -0.196 4.154 4.350 0.000 0.000 0.199 339 E C 1.974 178.564 176.600 -0.017 0.000 1.005 339 E CA 1.237 57.674 56.400 0.062 0.000 0.810 339 E CB -0.342 29.407 29.700 0.081 0.000 0.736 339 E HN 0.641 nan 8.360 nan 0.000 0.460 340 G N -0.436 108.281 108.800 -0.138 0.000 2.650 340 G HA2 0.006 3.966 3.960 0.000 0.000 0.214 340 G HA3 0.006 3.966 3.960 0.000 0.000 0.214 340 G C 0.178 174.659 174.900 -0.698 0.000 1.136 340 G CA 0.111 44.895 45.100 -0.527 0.000 0.789 340 G HN 0.002 nan 8.290 nan 0.000 0.536 341 F N -2.445 117.561 119.950 0.092 0.000 2.631 341 F HA 0.557 5.084 4.527 -0.000 0.000 0.328 341 F C -0.785 175.067 175.800 0.088 0.000 1.067 341 F CA -2.125 55.935 58.000 0.101 0.000 0.969 341 F CB 1.068 40.165 39.000 0.162 0.000 1.332 341 F HN -0.132 nan 8.300 nan 0.000 0.490 342 Y N 1.696 122.055 120.300 0.098 0.000 2.335 342 Y HA 0.652 5.202 4.550 -0.000 0.000 0.339 342 Y C -1.004 174.722 175.900 -0.290 0.000 0.987 342 Y CA -1.709 56.337 58.100 -0.090 0.000 1.140 342 Y CB 0.829 39.217 38.460 -0.119 0.000 1.173 342 Y HN 0.305 nan 8.280 nan 0.000 0.486 343 V N 7.397 126.996 119.914 -0.525 0.000 2.357 343 V HA 0.357 4.477 4.120 0.000 0.000 0.284 343 V C -0.529 174.964 176.094 -1.001 0.000 1.018 343 V CA -1.032 60.716 62.300 -0.920 0.000 0.841 343 V CB 1.245 32.538 31.823 -0.883 0.000 0.991 343 V HN 0.541 nan 8.190 nan 0.000 0.437 344 V N 5.597 124.876 119.914 -1.058 0.000 2.383 344 V HA 0.400 4.520 4.120 0.000 0.000 0.275 344 V C -0.359 175.228 176.094 -0.844 0.000 1.036 344 V CA -0.226 61.584 62.300 -0.817 0.000 0.889 344 V CB 1.090 32.555 31.823 -0.596 0.000 0.985 344 V HN 0.713 nan 8.190 nan 0.000 0.459 345 F N 2.890 122.336 119.950 -0.841 0.000 2.384 345 F HA 0.282 4.809 4.527 0.000 0.000 0.359 345 F C 0.806 176.249 175.800 -0.595 0.000 1.143 345 F CA -0.486 56.951 58.000 -0.938 0.000 1.216 345 F CB 0.527 38.423 39.000 -1.840 0.000 1.512 345 F HN 0.430 nan 8.300 nan 0.000 0.573 346 D N 2.924 123.212 120.400 -0.186 0.000 2.551 346 D HA 0.086 4.726 4.640 0.000 0.000 0.223 346 D C 1.455 177.792 176.300 0.061 0.000 1.144 346 D CA 0.157 54.129 54.000 -0.048 0.000 1.025 346 D CB 0.221 41.002 40.800 -0.032 0.000 1.085 346 D HN 0.442 nan 8.370 nan 0.000 0.506 347 R N 1.420 121.995 120.500 0.126 0.000 2.081 347 R HA -0.124 4.216 4.340 0.000 0.000 0.235 347 R C 2.162 178.593 176.300 0.219 0.000 1.131 347 R CA 1.468 57.737 56.100 0.282 0.000 0.960 347 R CB -0.095 30.412 30.300 0.345 0.000 0.856 347 R HN 0.343 nan 8.270 nan 0.000 0.436 348 A N 1.257 124.173 122.820 0.161 0.000 1.917 348 A HA -0.177 4.143 4.320 0.000 0.000 0.219 348 A C 1.763 179.390 177.584 0.071 0.000 1.182 348 A CA 1.426 53.533 52.037 0.116 0.000 0.633 348 A CB -0.259 18.796 19.000 0.091 0.000 0.819 348 A HN 0.244 nan 8.150 nan 0.000 0.448 349 R N -1.547 118.977 120.500 0.039 0.000 2.468 349 R HA 0.200 4.540 4.340 0.000 0.000 0.280 349 R C -0.048 176.267 176.300 0.026 0.000 0.963 349 R CA 0.178 56.277 56.100 -0.002 0.000 1.083 349 R CB 0.067 30.314 30.300 -0.087 0.000 1.200 349 R HN 0.489 nan 8.270 nan 0.000 0.541 350 K N 2.059 122.510 120.400 0.085 0.000 3.451 350 K HA -0.241 4.079 4.320 0.000 0.000 0.273 350 K C -1.029 175.641 176.600 0.117 0.000 0.944 350 K CA 0.839 57.197 56.287 0.119 0.000 0.734 350 K CB -0.644 31.903 32.500 0.078 0.000 1.437 350 K HN 0.466 nan 8.250 nan 0.000 0.454 351 R N -0.298 120.273 120.500 0.119 0.000 2.752 351 R HA 0.659 4.999 4.340 0.000 0.000 0.271 351 R C -0.939 175.431 176.300 0.117 0.000 1.026 351 R CA -1.188 54.995 56.100 0.139 0.000 0.901 351 R CB 1.100 31.465 30.300 0.108 0.000 1.243 351 R HN 0.067 nan 8.270 nan 0.000 0.463 352 I N 0.656 121.300 120.570 0.124 0.000 2.498 352 I HA 0.494 4.664 4.170 0.000 0.000 0.290 352 I C -0.110 175.937 176.117 -0.116 0.000 1.032 352 I CA -0.948 60.269 61.300 -0.138 0.000 1.073 352 I CB 2.440 40.279 38.000 -0.269 0.000 1.251 352 I HN 0.871 nan 8.210 nan 0.000 0.426 353 G N 4.910 113.410 108.800 -0.501 0.000 2.400 353 G HA2 0.726 4.686 3.960 0.000 0.000 0.333 353 G HA3 0.726 4.686 3.960 0.000 0.000 0.333 353 G C -1.392 172.979 174.900 -0.883 0.000 1.143 353 G CA -0.234 44.323 45.100 -0.905 0.000 0.914 353 G HN 0.309 nan 8.290 nan 0.000 0.480 354 F N 0.450 120.015 119.950 -0.641 0.000 2.532 354 F HA 0.754 5.281 4.527 -0.000 0.000 0.321 354 F C 0.409 176.002 175.800 -0.345 0.000 1.089 354 F CA -0.447 57.285 58.000 -0.447 0.000 0.926 354 F CB 2.806 41.583 39.000 -0.371 0.000 1.168 354 F HN 0.722 nan 8.300 nan 0.000 0.459 355 A N 1.532 124.354 122.820 0.004 0.000 2.589 355 A HA 0.669 4.989 4.320 0.000 0.000 0.296 355 A C -1.570 176.199 177.584 0.308 0.000 1.062 355 A CA -0.792 51.303 52.037 0.097 0.000 0.686 355 A CB 1.007 19.906 19.000 -0.168 0.000 1.282 355 A HN 0.444 nan 8.150 nan 0.000 0.404 356 V N 1.931 122.018 119.914 0.288 0.000 2.540 356 V HA 0.217 4.337 4.120 0.000 0.000 0.297 356 V C 1.241 177.413 176.094 0.129 0.000 1.024 356 V CA 0.622 63.027 62.300 0.174 0.000 1.105 356 V CB 1.033 32.866 31.823 0.016 0.000 0.938 356 V HN 0.949 nan 8.190 nan 0.000 0.482 357 S N 4.250 119.990 115.700 0.066 0.000 2.576 357 S HA 0.385 4.855 4.470 0.000 0.000 0.276 357 S C 1.358 175.989 174.600 0.052 0.000 1.339 357 S CA -0.092 58.150 58.200 0.070 0.000 1.039 357 S CB 1.340 64.568 63.200 0.047 0.000 0.902 357 S HN 0.973 nan 8.310 nan 0.000 0.516 358 A N 2.583 125.418 122.820 0.026 0.000 2.067 358 A HA -0.038 4.282 4.320 0.000 0.000 0.219 358 A C 1.687 179.334 177.584 0.104 0.000 1.158 358 A CA 1.263 53.322 52.037 0.037 0.000 0.661 358 A CB -1.076 17.902 19.000 -0.037 0.000 0.801 358 A HN 1.208 nan 8.150 nan 0.000 0.452 359 C N 0.288 119.622 119.300 0.058 0.000 2.352 359 C HA 0.495 4.955 4.460 0.000 0.000 0.321 359 C C 0.689 175.656 174.990 -0.038 0.000 1.407 359 C CA -0.928 58.088 59.018 -0.003 0.000 1.783 359 C CB -2.226 25.505 27.740 -0.014 0.000 2.698 359 C HN 0.605 nan 8.230 nan 0.000 0.555 360 H N -0.702 118.288 119.070 -0.133 0.000 2.745 360 H HA 0.557 5.113 4.556 0.000 0.000 0.373 360 H C -0.641 174.624 175.328 -0.105 0.000 1.226 360 H CA -0.329 55.609 56.048 -0.184 0.000 1.435 360 H CB 0.621 30.223 29.762 -0.267 0.000 1.461 360 H HN 0.249 nan 8.280 nan 0.000 0.616 361 V N 3.051 122.877 119.914 -0.146 0.000 2.667 361 V HA 0.298 4.418 4.120 0.000 0.000 0.308 361 V C -0.464 175.655 176.094 0.041 0.000 1.048 361 V CA -0.445 61.792 62.300 -0.105 0.000 0.928 361 V CB 1.351 33.094 31.823 -0.133 0.000 1.004 361 V HN 1.121 nan 8.190 nan 0.000 0.444 362 H N 1.741 120.677 119.070 -0.224 0.000 3.154 362 H HA 0.361 4.917 4.556 0.000 0.000 0.330 362 H C -1.495 173.742 175.328 -0.151 0.000 1.033 362 H CA -1.676 54.288 56.048 -0.141 0.000 1.393 362 H CB 0.732 30.492 29.762 -0.004 0.000 1.951 362 H HN 0.697 nan 8.280 nan 0.000 0.466 363 D N 1.297 121.608 120.400 -0.148 0.000 2.345 363 D HA 0.155 4.795 4.640 0.000 0.000 0.247 363 D C 0.382 176.620 176.300 -0.103 0.000 1.108 363 D CA -0.542 53.377 54.000 -0.136 0.000 0.894 363 D CB 1.294 42.075 40.800 -0.032 0.000 1.203 363 D HN 0.460 nan 8.370 nan 0.000 0.430 364 E N 1.014 121.065 120.200 -0.248 0.000 2.676 364 E HA 0.175 4.525 4.350 0.000 0.000 0.318 364 E C -1.127 175.090 176.600 -0.638 0.000 1.514 364 E CA 0.029 56.200 56.400 -0.381 0.000 1.667 364 E CB -0.820 28.619 29.700 -0.436 0.000 1.336 364 E HN 0.621 nan 8.360 nan 0.000 0.492 365 F N -1.096 118.857 119.950 0.005 0.000 2.533 365 F HA 0.337 4.864 4.527 0.000 0.000 0.313 365 F C 0.857 176.675 175.800 0.030 0.000 0.834 365 F CA -0.467 57.544 58.000 0.019 0.000 1.061 365 F CB 0.509 39.521 39.000 0.020 0.000 0.915 365 F HN -0.182 nan 8.300 nan 0.000 0.693 366 R N -0.056 120.573 120.500 0.215 0.000 2.803 366 R HA 0.635 4.975 4.340 0.000 0.000 0.276 366 R C -1.015 175.347 176.300 0.104 0.000 0.978 366 R CA -0.485 55.697 56.100 0.136 0.000 0.939 366 R CB 2.230 32.601 30.300 0.118 0.000 1.179 366 R HN -0.173 nan 8.270 nan 0.000 0.472 367 T N 0.504 115.106 114.554 0.081 0.000 2.881 367 T HA 0.544 4.894 4.350 0.000 0.000 0.290 367 T C -0.826 173.892 174.700 0.031 0.000 1.000 367 T CA -0.467 61.671 62.100 0.064 0.000 0.978 367 T CB 1.313 70.206 68.868 0.042 0.000 0.997 367 T HN 0.672 nan 8.240 nan 0.000 0.443 368 A N 2.989 125.811 122.820 0.003 0.000 2.511 368 A HA 0.724 5.044 4.320 0.000 0.000 0.242 368 A C 0.510 178.099 177.584 0.008 0.000 1.069 368 A CA 0.195 52.222 52.037 -0.016 0.000 0.763 368 A CB -0.296 18.607 19.000 -0.161 0.000 1.001 368 A HN 1.377 nan 8.150 nan 0.000 0.498 369 A N 1.320 124.218 122.820 0.130 0.000 2.593 369 A HA 0.684 5.004 4.320 0.000 0.000 0.290 369 A C -1.208 176.507 177.584 0.218 0.000 1.126 369 A CA -0.428 51.696 52.037 0.143 0.000 0.695 369 A CB 1.271 20.305 19.000 0.056 0.000 1.290 369 A HN 1.323 nan 8.150 nan 0.000 0.414 370 V N 1.721 121.714 119.914 0.132 0.000 2.340 370 V HA 0.387 4.507 4.120 0.000 0.000 0.277 370 V C -0.543 175.470 176.094 -0.134 0.000 1.017 370 V CA -0.173 62.132 62.300 0.008 0.000 0.820 370 V CB 0.722 32.594 31.823 0.082 0.000 1.028 370 V HN 0.871 nan 8.190 nan 0.000 0.436 371 E N 2.460 122.541 120.200 -0.199 0.000 2.195 371 E HA 0.818 5.168 4.350 0.000 0.000 0.271 371 E C 0.183 176.534 176.600 -0.414 0.000 0.923 371 E CA -0.468 55.802 56.400 -0.217 0.000 0.790 371 E CB 2.591 32.295 29.700 0.007 0.000 1.155 371 E HN 0.773 nan 8.360 nan 0.000 0.402 372 G N 2.087 110.455 108.800 -0.721 0.000 2.660 372 G HA2 0.530 4.490 3.960 0.000 0.000 0.290 372 G HA3 0.530 4.490 3.960 0.000 0.000 0.290 372 G C -2.810 171.842 174.900 -0.413 0.000 1.432 372 G CA -0.950 43.549 45.100 -1.001 0.000 0.807 372 G HN 0.383 nan 8.290 nan 0.000 0.485 373 P HA 0.763 nan 4.420 nan 0.000 0.283 373 P C -1.649 175.446 177.300 -0.342 0.000 1.271 373 P CA -0.562 62.482 63.100 -0.093 0.000 0.841 373 P CB 1.734 33.559 31.700 0.209 0.000 1.122 374 F N -0.959 119.020 119.950 0.048 0.000 2.591 374 F HA 0.277 4.805 4.527 0.000 0.000 0.309 374 F C -0.023 175.816 175.800 0.065 0.000 1.098 374 F CA -0.868 57.169 58.000 0.061 0.000 0.937 374 F CB 2.143 41.206 39.000 0.106 0.000 1.250 374 F HN 0.036 nan 8.300 nan 0.000 0.447 375 V N 0.409 120.453 119.914 0.217 0.000 2.465 375 V HA 0.869 4.989 4.120 0.000 0.000 0.279 375 V C -0.155 176.007 176.094 0.114 0.000 1.045 375 V CA -0.347 62.034 62.300 0.136 0.000 0.938 375 V CB 0.629 32.503 31.823 0.085 0.000 0.986 375 V HN 0.913 nan 8.190 nan 0.000 0.467 376 T N 1.622 116.224 114.554 0.079 0.000 2.654 376 T HA 0.699 5.049 4.350 0.000 0.000 0.289 376 T C -0.288 174.426 174.700 0.023 0.000 1.062 376 T CA -1.010 61.108 62.100 0.029 0.000 1.041 376 T CB 1.119 69.993 68.868 0.009 0.000 1.417 376 T HN 0.486 nan 8.240 nan 0.000 0.510 377 L N 1.555 122.782 121.223 0.007 0.000 2.466 377 L HA 0.484 4.824 4.340 0.000 0.000 0.257 377 L C 0.540 177.425 176.870 0.025 0.000 1.189 377 L CA -0.650 54.198 54.840 0.014 0.000 0.813 377 L CB 0.235 42.299 42.059 0.009 0.000 1.118 377 L HN 0.912 nan 8.230 nan 0.000 0.471 378 D N -0.578 119.839 120.400 0.028 0.000 2.567 378 D HA 0.169 4.809 4.640 0.000 0.000 0.275 378 D C 0.864 177.187 176.300 0.038 0.000 1.195 378 D CA -0.620 53.401 54.000 0.035 0.000 1.087 378 D CB 0.529 41.350 40.800 0.034 0.000 1.165 378 D HN 0.509 nan 8.370 nan 0.000 0.609 379 M N -0.679 118.946 119.600 0.042 0.000 2.099 379 M HA -0.132 4.348 4.480 0.000 0.000 0.262 379 M C 1.420 177.744 176.300 0.040 0.000 1.067 379 M CA 1.583 56.912 55.300 0.048 0.000 1.124 379 M CB -0.105 32.524 32.600 0.049 0.000 1.353 379 M HN 0.333 nan 8.290 nan 0.000 0.410 380 E N 0.947 121.163 120.200 0.027 0.000 2.118 380 E HA -0.204 4.146 4.350 0.000 0.000 0.195 380 E C 1.636 178.245 176.600 0.016 0.000 0.992 380 E CA 1.634 58.043 56.400 0.016 0.000 0.804 380 E CB -0.432 29.273 29.700 0.009 0.000 0.741 380 E HN 0.580 nan 8.360 nan 0.000 0.458 381 D N -0.882 119.530 120.400 0.019 0.000 2.117 381 D HA -0.079 4.561 4.640 0.000 0.000 0.198 381 D C 1.432 177.746 176.300 0.024 0.000 0.982 381 D CA 1.221 55.230 54.000 0.015 0.000 0.828 381 D CB 0.017 40.825 40.800 0.013 0.000 0.967 381 D HN 0.289 nan 8.370 nan 0.000 0.464 382 C N 0.215 119.541 119.300 0.043 0.000 3.019 382 C HA 0.365 4.825 4.460 0.000 0.000 0.295 382 C C 1.433 176.484 174.990 0.101 0.000 1.256 382 C CA -0.711 58.347 59.018 0.066 0.000 1.706 382 C CB -0.218 27.570 27.740 0.080 0.000 2.153 382 C HN 0.130 nan 8.230 nan 0.000 0.618 383 G N -0.106 108.750 108.800 0.094 0.000 2.406 383 G HA2 0.387 4.347 3.960 0.000 0.000 0.251 383 G HA3 0.387 4.347 3.960 0.000 0.000 0.251 383 G C -0.952 174.042 174.900 0.157 0.000 1.271 383 G CA 0.205 45.381 45.100 0.127 0.000 0.859 383 G HN 0.405 nan 8.290 nan 0.000 0.540 384 Y N 2.303 122.655 120.300 0.086 0.000 2.307 384 Y HA 0.424 4.974 4.550 0.000 0.000 0.324 384 Y C 0.102 176.047 175.900 0.076 0.000 1.238 384 Y CA -0.789 57.370 58.100 0.098 0.000 1.280 384 Y CB 1.190 39.738 38.460 0.147 0.000 1.248 384 Y HN 0.429 nan 8.280 nan 0.000 0.508 385 N N 5.465 123.778 118.700 -0.645 0.000 2.238 385 N HA 0.654 5.394 4.740 0.000 0.000 0.302 385 N C -1.350 173.910 175.510 -0.418 0.000 1.072 385 N CA -0.307 52.514 53.050 -0.380 0.000 0.792 385 N CB 2.221 40.564 38.487 -0.239 0.000 1.425 385 N HN 0.824 nan 8.380 nan 0.000 0.478 386 I N 0.000 120.477 120.570 -0.156 0.000 2.984 386 I HA 0.000 4.170 4.170 0.000 0.000 0.288 386 I CA 0.000 61.260 61.300 -0.067 0.000 1.566 386 I CB 0.000 38.037 38.000 0.062 0.000 1.214 386 I HN 0.000 nan 8.210 nan 0.000 0.494