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 2ha6_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GEAAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcPXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA 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 0.000 176.612 176.600 0.020 0.000 1.382 1 E CA 0.000 56.415 56.400 0.025 0.000 0.976 1 E CB 0.000 29.718 29.700 0.031 0.000 0.812 2 G N 0.136 108.947 108.800 0.019 0.000 3.330 2 G HA2 -0.180 3.785 3.960 0.008 0.000 0.197 2 G HA3 -0.180 3.785 3.960 0.008 0.000 0.197 2 G C 0.765 175.674 174.900 0.015 0.000 1.284 2 G CA 0.077 45.186 45.100 0.015 0.000 0.921 2 G HN 0.282 nan 8.290 nan 0.000 0.466 3 R N 1.452 121.960 120.500 0.015 0.000 2.397 3 R HA 0.381 4.726 4.340 0.008 0.000 0.241 3 R C 0.512 176.822 176.300 0.016 0.000 0.914 3 R CA 0.046 56.154 56.100 0.014 0.000 1.071 3 R CB 0.476 30.782 30.300 0.010 0.000 1.116 3 R HN 0.550 nan 8.270 nan 0.000 0.524 4 E N 1.029 121.242 120.200 0.021 0.000 2.312 4 E HA 0.032 4.386 4.350 0.008 0.000 0.259 4 E C -0.594 176.027 176.600 0.035 0.000 1.122 4 E CA -0.531 55.885 56.400 0.026 0.000 0.922 4 E CB 0.728 30.446 29.700 0.030 0.000 1.109 4 E HN -0.145 nan 8.360 nan 0.000 0.442 5 D N 2.082 122.509 120.400 0.046 0.000 2.346 5 D HA 0.013 4.657 4.640 0.008 0.000 0.260 5 D C -1.645 174.696 176.300 0.070 0.000 1.252 5 D CA -1.847 52.195 54.000 0.071 0.000 0.895 5 D CB 0.933 41.795 40.800 0.104 0.000 1.097 5 D HN 0.122 nan 8.370 nan 0.000 0.489 6 P HA -0.129 nan 4.420 nan 0.000 0.225 6 P C 0.606 177.926 177.300 0.033 0.000 1.148 6 P CA 0.879 64.001 63.100 0.037 0.000 0.779 6 P CB 0.308 32.020 31.700 0.019 0.000 0.780 7 Q N -0.657 119.159 119.800 0.026 0.000 2.403 7 Q HA 0.147 4.491 4.340 0.008 0.000 0.203 7 Q C 1.606 177.659 176.000 0.089 0.000 0.932 7 Q CA 0.471 56.257 55.803 -0.028 0.000 0.945 7 Q CB 0.013 28.602 28.738 -0.249 0.000 1.045 7 Q HN 0.388 nan 8.270 nan 0.000 0.511 8 L N 0.478 121.787 121.223 0.142 0.000 2.728 8 L HA 0.261 4.606 4.340 0.008 0.000 0.238 8 L C 0.061 177.100 176.870 0.282 0.000 1.143 8 L CA -0.041 54.915 54.840 0.192 0.000 0.937 8 L CB 0.470 42.569 42.059 0.067 0.000 1.225 8 L HN 0.076 nan 8.230 nan 0.000 0.507 9 L N 0.855 122.197 121.223 0.199 0.000 2.265 9 L HA 0.541 4.886 4.340 0.008 0.000 0.289 9 L C -0.708 176.223 176.870 0.101 0.000 1.033 9 L CA -0.440 54.500 54.840 0.166 0.000 0.814 9 L CB 1.696 43.811 42.059 0.094 0.000 1.203 9 L HN -0.228 nan 8.230 nan 0.000 0.423 10 V N 3.299 123.256 119.914 0.072 0.000 2.925 10 V HA 0.510 4.635 4.120 0.008 0.000 0.311 10 V C -0.443 175.585 176.094 -0.109 0.000 1.104 10 V CA -0.780 61.424 62.300 -0.161 0.000 0.954 10 V CB 2.780 34.255 31.823 -0.582 0.000 1.022 10 V HN 0.734 nan 8.190 nan 0.000 0.427 11 R N 2.219 122.624 120.500 -0.160 0.000 2.460 11 R HA 0.844 5.189 4.340 0.008 0.000 0.303 11 R C -0.879 175.339 176.300 -0.137 0.000 0.968 11 R CA -0.327 55.721 56.100 -0.087 0.000 0.889 11 R CB 1.902 32.153 30.300 -0.082 0.000 1.123 11 R HN 0.710 nan 8.270 nan 0.000 0.455 12 V N 1.019 120.913 119.914 -0.033 0.000 3.181 12 V HA 0.482 4.606 4.120 0.008 0.000 0.314 12 V C 1.310 177.330 176.094 -0.122 0.000 1.173 12 V CA -1.023 61.246 62.300 -0.052 0.000 1.052 12 V CB 1.713 33.648 31.823 0.186 0.000 1.123 12 V HN 0.806 nan 8.190 nan 0.000 0.454 13 R N 0.671 121.081 120.500 -0.150 0.000 2.117 13 R HA -0.116 4.229 4.340 0.008 0.000 0.243 13 R C 1.964 178.119 176.300 -0.241 0.000 1.143 13 R CA 2.084 58.087 56.100 -0.162 0.000 0.968 13 R CB -0.922 29.305 30.300 -0.122 0.000 0.863 13 R HN 1.026 nan 8.270 nan 0.000 0.444 14 G N -0.987 107.612 108.800 -0.336 0.000 2.813 14 G HA2 0.250 4.215 3.960 0.008 0.000 0.209 14 G HA3 0.250 4.215 3.960 0.008 0.000 0.209 14 G C 0.439 174.369 174.900 -1.617 0.000 1.150 14 G CA 0.654 45.270 45.100 -0.806 0.000 0.785 14 G HN 0.655 nan 8.290 nan 0.000 0.535 15 G N -1.114 107.072 108.800 -1.024 0.000 2.325 15 G HA2 0.069 4.034 3.960 0.008 0.000 0.285 15 G HA3 0.069 4.034 3.960 0.008 0.000 0.285 15 G C -1.019 173.850 174.900 -0.052 0.000 1.303 15 G CA -0.969 43.698 45.100 -0.722 0.000 0.970 15 G HN 0.278 nan 8.290 nan 0.000 0.490 16 Q N -0.440 119.467 119.800 0.179 0.000 2.327 16 Q HA 0.638 4.983 4.340 0.008 0.000 0.254 16 Q C -0.293 175.996 176.000 0.482 0.000 0.952 16 Q CA 0.082 56.056 55.803 0.285 0.000 0.884 16 Q CB 1.341 30.189 28.738 0.183 0.000 1.224 16 Q HN 0.440 nan 8.270 nan 0.000 0.422 17 L N 1.663 123.092 121.223 0.343 0.000 2.370 17 L HA 0.605 4.950 4.340 0.008 0.000 0.266 17 L C -0.461 176.590 176.870 0.302 0.000 1.002 17 L CA -0.781 54.265 54.840 0.344 0.000 0.818 17 L CB 2.176 44.487 42.059 0.421 0.000 1.325 17 L HN 0.464 nan 8.230 nan 0.000 0.418 18 R N 0.698 121.344 120.500 0.243 0.000 2.409 18 R HA 0.603 4.948 4.340 0.008 0.000 0.313 18 R C -0.232 176.125 176.300 0.095 0.000 0.953 18 R CA -0.322 55.885 56.100 0.179 0.000 0.849 18 R CB 1.621 31.971 30.300 0.083 0.000 1.171 18 R HN 0.815 nan 8.270 nan 0.000 0.458 19 G N 3.300 112.071 108.800 -0.048 0.000 2.531 19 G HA2 0.443 4.408 3.960 0.008 0.000 0.281 19 G HA3 0.443 4.408 3.960 0.008 0.000 0.281 19 G C -0.900 173.754 174.900 -0.410 0.000 1.382 19 G CA -0.660 44.065 45.100 -0.624 0.000 1.045 19 G HN 0.581 nan 8.290 nan 0.000 0.533 20 I N -0.937 119.349 120.570 -0.474 0.000 2.647 20 I HA 0.498 4.672 4.170 0.008 0.000 0.295 20 I C -0.244 175.727 176.117 -0.242 0.000 1.078 20 I CA -1.139 59.992 61.300 -0.281 0.000 1.048 20 I CB 2.142 39.992 38.000 -0.251 0.000 1.239 20 I HN 0.445 nan 8.210 nan 0.000 0.421 21 R N 7.745 128.135 120.500 -0.183 0.000 2.216 21 R HA 0.522 4.867 4.340 0.008 0.000 0.332 21 R C -1.678 174.497 176.300 -0.208 0.000 1.056 21 R CA -0.358 55.603 56.100 -0.231 0.000 0.901 21 R CB 0.505 30.592 30.300 -0.356 0.000 1.039 21 R HN 0.632 nan 8.270 nan 0.000 0.456 22 L N 4.066 125.190 121.223 -0.165 0.000 2.334 22 L HA 0.460 4.805 4.340 0.008 0.000 0.272 22 L C 0.016 176.806 176.870 -0.134 0.000 1.020 22 L CA -0.976 53.790 54.840 -0.123 0.000 0.812 22 L CB 1.846 43.871 42.059 -0.057 0.000 1.264 22 L HN 0.483 nan 8.230 nan 0.000 0.439 23 K N 1.769 122.097 120.400 -0.119 0.000 2.248 23 K HA 0.599 4.924 4.320 0.008 0.000 0.281 23 K C -0.489 176.036 176.600 -0.126 0.000 1.054 23 K CA -0.348 55.873 56.287 -0.111 0.000 0.903 23 K CB 1.602 34.051 32.500 -0.085 0.000 1.077 23 K HN 0.652 nan 8.250 nan 0.000 0.474 24 A N 4.307 127.050 122.820 -0.129 0.000 2.281 24 A HA 0.435 4.760 4.320 0.008 0.000 0.329 24 A C -1.828 175.734 177.584 -0.037 0.000 1.122 24 A CA -1.631 50.312 52.037 -0.158 0.000 0.850 24 A CB 0.390 19.279 19.000 -0.184 0.000 1.207 24 A HN 0.450 nan 8.150 nan 0.000 0.495 25 P HA -0.111 nan 4.420 nan 0.000 0.216 25 P C 1.407 178.730 177.300 0.038 0.000 1.153 25 P CA 2.020 65.158 63.100 0.064 0.000 0.858 25 P CB 0.173 31.947 31.700 0.123 0.000 0.789 26 G N -2.087 106.737 108.800 0.041 0.000 2.712 26 G HA2 0.388 4.353 3.960 0.008 0.000 0.212 26 G HA3 0.388 4.353 3.960 0.008 0.000 0.212 26 G C 0.613 175.525 174.900 0.020 0.000 1.142 26 G CA 0.594 45.713 45.100 0.032 0.000 0.789 26 G HN 0.623 nan 8.290 nan 0.000 0.535 27 G N -0.785 108.018 108.800 0.004 0.000 2.359 27 G HA2 0.376 4.341 3.960 0.008 0.000 0.293 27 G HA3 0.376 4.341 3.960 0.008 0.000 0.293 27 G C -3.373 171.510 174.900 -0.028 0.000 1.300 27 G CA -0.611 44.487 45.100 -0.003 0.000 0.888 27 G HN 0.047 nan 8.290 nan 0.000 0.541 28 P HA 0.539 nan 4.420 nan 0.000 0.276 28 P C -0.085 177.211 177.300 -0.007 0.000 1.244 28 P CA -0.231 62.797 63.100 -0.120 0.000 0.801 28 P CB 1.721 33.226 31.700 -0.324 0.000 1.006 29 V N -1.604 118.302 119.914 -0.012 0.000 3.130 29 V HA 0.670 4.795 4.120 0.008 0.000 0.310 29 V C -0.560 175.619 176.094 0.142 0.000 1.158 29 V CA -0.903 61.476 62.300 0.131 0.000 1.029 29 V CB 1.825 33.726 31.823 0.130 0.000 1.057 29 V HN 0.451 nan 8.190 nan 0.000 0.436 30 S N 1.676 117.528 115.700 0.253 0.000 2.480 30 S HA 0.881 5.356 4.470 0.008 0.000 0.286 30 S C -0.011 174.610 174.600 0.035 0.000 1.180 30 S CA 0.025 58.327 58.200 0.171 0.000 1.075 30 S CB 1.244 64.654 63.200 0.349 0.000 0.996 30 S HN 1.612 nan 8.310 nan 0.000 0.487 31 A N 2.586 125.234 122.820 -0.285 0.000 2.356 31 A HA 0.812 5.137 4.320 0.008 0.000 0.310 31 A C -1.234 175.951 177.584 -0.665 0.000 1.075 31 A CA -0.665 51.099 52.037 -0.455 0.000 0.746 31 A CB 0.543 19.231 19.000 -0.520 0.000 1.221 31 A HN 0.710 nan 8.150 nan 0.000 0.443 32 F N 2.717 122.490 119.950 -0.296 0.000 2.434 32 F HA 0.457 4.989 4.527 0.008 0.000 0.367 32 F C -0.268 175.345 175.800 -0.312 0.000 1.093 32 F CA -0.272 57.627 58.000 -0.167 0.000 1.085 32 F CB 1.303 40.343 39.000 0.066 0.000 1.322 32 F HN 0.337 nan 8.300 nan 0.000 0.452 33 L N 2.213 123.283 121.223 -0.255 0.000 2.325 33 L HA 0.714 5.059 4.340 0.008 0.000 0.278 33 L C 0.871 177.635 176.870 -0.176 0.000 1.023 33 L CA -0.935 53.698 54.840 -0.344 0.000 0.811 33 L CB 1.720 43.383 42.059 -0.660 0.000 1.249 33 L HN 0.821 nan 8.230 nan 0.000 0.431 34 G N 3.200 111.954 108.800 -0.076 0.000 2.225 34 G HA2 -0.248 3.717 3.960 0.008 0.000 0.264 34 G HA3 -0.248 3.717 3.960 0.008 0.000 0.264 34 G C -0.185 174.738 174.900 0.039 0.000 1.060 34 G CA -0.393 44.668 45.100 -0.064 0.000 0.833 34 G HN 0.483 nan 8.290 nan 0.000 0.498 35 I N 2.182 122.802 120.570 0.085 0.000 2.379 35 I HA 0.230 4.405 4.170 0.008 0.000 0.290 35 I C -1.423 174.792 176.117 0.164 0.000 1.063 35 I CA -2.158 59.190 61.300 0.081 0.000 1.351 35 I CB 0.988 38.995 38.000 0.010 0.000 1.410 35 I HN -0.023 nan 8.210 nan 0.000 0.505 36 P HA -0.007 nan 4.420 nan 0.000 0.271 36 P C -0.170 177.121 177.300 -0.015 0.000 1.220 36 P CA 0.115 63.140 63.100 -0.126 0.000 0.768 36 P CB 0.410 32.040 31.700 -0.117 0.000 0.848 37 F N 1.166 120.992 119.950 -0.207 0.000 2.706 37 F HA 0.712 5.244 4.527 0.008 0.000 0.313 37 F C 0.100 175.904 175.800 0.007 0.000 1.096 37 F CA -0.734 57.211 58.000 -0.092 0.000 1.219 37 F CB 0.222 39.066 39.000 -0.260 0.000 1.051 37 F HN 0.324 nan 8.300 nan 0.000 0.568 38 A N 0.066 122.598 122.820 -0.480 0.000 2.594 38 A HA 0.582 4.907 4.320 0.008 0.000 0.291 38 A C -0.841 176.590 177.584 -0.255 0.000 1.105 38 A CA -0.790 51.065 52.037 -0.304 0.000 0.694 38 A CB 0.983 19.727 19.000 -0.426 0.000 1.291 38 A HN 0.059 nan 8.150 nan 0.000 0.410 39 E N 1.220 121.344 120.200 -0.126 0.000 2.414 39 E HA 0.224 4.579 4.350 0.008 0.000 0.263 39 E C -2.294 174.211 176.600 -0.158 0.000 1.000 39 E CA -1.268 55.072 56.400 -0.101 0.000 0.914 39 E CB 0.014 29.691 29.700 -0.040 0.000 0.948 39 E HN 0.236 nan 8.360 nan 0.000 0.444 40 P HA -0.016 nan 4.420 nan 0.000 0.260 40 P C -2.225 175.009 177.300 -0.109 0.000 1.185 40 P CA -0.641 62.374 63.100 -0.142 0.000 0.763 40 P CB -0.055 31.597 31.700 -0.080 0.000 0.776 41 P HA 0.032 nan 4.420 nan 0.000 0.212 41 P C -0.393 176.845 177.300 -0.104 0.000 1.816 41 P CA -0.006 63.035 63.100 -0.098 0.000 0.944 41 P CB -0.027 31.615 31.700 -0.096 0.000 1.896 42 V N -2.423 117.438 119.914 -0.088 0.000 2.994 42 V HA 0.908 5.033 4.120 0.008 0.000 0.318 42 V C 0.862 176.912 176.094 -0.073 0.000 1.085 42 V CA 0.177 62.424 62.300 -0.088 0.000 0.998 42 V CB 0.911 32.693 31.823 -0.068 0.000 1.063 42 V HN 0.564 nan 8.190 nan 0.000 0.447 43 G N 2.887 111.643 108.800 -0.072 0.000 2.561 43 G HA2 -0.327 3.638 3.960 0.008 0.000 0.289 43 G HA3 -0.327 3.638 3.960 0.008 0.000 0.289 43 G C 1.178 176.051 174.900 -0.045 0.000 1.169 43 G CA 1.438 46.509 45.100 -0.048 0.000 0.980 43 G HN 2.415 nan 8.290 nan 0.000 0.550 44 S N 0.317 116.004 115.700 -0.022 0.000 2.595 44 S HA 0.075 4.550 4.470 0.008 0.000 0.235 44 S C 1.866 176.462 174.600 -0.006 0.000 0.974 44 S CA 1.698 59.896 58.200 -0.004 0.000 0.942 44 S CB 0.093 63.296 63.200 0.005 0.000 0.766 44 S HN 0.800 nan 8.310 nan 0.000 0.536 45 R N 0.756 121.236 120.500 -0.034 0.000 2.365 45 R HA 0.296 4.641 4.340 0.008 0.000 0.223 45 R C 0.753 177.008 176.300 -0.075 0.000 0.899 45 R CA -0.476 55.603 56.100 -0.035 0.000 1.059 45 R CB 0.214 30.491 30.300 -0.037 0.000 1.086 45 R HN 0.310 nan 8.270 nan 0.000 0.522 46 R N 0.687 121.093 120.500 -0.156 0.000 2.538 46 R HA -0.135 4.209 4.340 0.008 0.000 0.282 46 R C -0.503 175.583 176.300 -0.356 0.000 1.009 46 R CA 0.945 56.819 56.100 -0.377 0.000 1.063 46 R CB 0.093 30.030 30.300 -0.605 0.000 0.945 46 R HN 0.220 nan 8.270 nan 0.000 0.414 47 F N -0.635 119.322 119.950 0.012 0.000 2.656 47 F HA -0.286 4.245 4.527 0.008 0.000 0.381 47 F C 0.034 175.820 175.800 -0.024 0.000 0.603 47 F CA 0.529 58.513 58.000 -0.026 0.000 1.335 47 F CB -1.477 37.497 39.000 -0.043 0.000 1.836 47 F HN 0.449 nan 8.300 nan 0.000 0.290 48 M N 1.122 120.786 119.600 0.105 0.000 2.409 48 M HA 0.420 4.905 4.480 0.008 0.000 0.329 48 M C -1.948 174.376 176.300 0.041 0.000 1.180 48 M CA -1.480 53.862 55.300 0.070 0.000 1.053 48 M CB 0.713 33.341 32.600 0.047 0.000 1.586 48 M HN -0.361 nan 8.290 nan 0.000 0.461 49 P HA 0.058 nan 4.420 nan 0.000 0.267 49 P C -2.407 174.915 177.300 0.037 0.000 1.201 49 P CA -0.427 62.700 63.100 0.046 0.000 0.775 49 P CB -0.549 31.188 31.700 0.061 0.000 0.854 50 P HA 0.150 nan 4.420 nan 0.000 0.275 50 P C -0.591 176.736 177.300 0.045 0.000 1.227 50 P CA 0.132 63.249 63.100 0.029 0.000 0.781 50 P CB 0.896 32.628 31.700 0.054 0.000 0.906 51 E N 3.601 123.814 120.200 0.021 0.000 2.204 51 E HA 0.353 4.708 4.350 0.008 0.000 0.276 51 E C -2.193 174.433 176.600 0.043 0.000 0.974 51 E CA -2.249 54.173 56.400 0.036 0.000 0.815 51 E CB 0.590 30.303 29.700 0.022 0.000 1.119 51 E HN 0.372 nan 8.360 nan 0.000 0.393 52 P HA -0.026 nan 4.420 nan 0.000 0.269 52 P C -0.727 176.630 177.300 0.095 0.000 1.209 52 P CA -0.307 62.862 63.100 0.116 0.000 0.776 52 P CB 0.452 32.231 31.700 0.132 0.000 0.876 53 K N 3.289 123.766 120.400 0.128 0.000 2.451 53 K HA 0.022 4.346 4.320 0.008 0.000 0.280 53 K C 0.058 176.747 176.600 0.149 0.000 1.020 53 K CA 0.452 56.820 56.287 0.136 0.000 1.008 53 K CB 0.037 32.672 32.500 0.225 0.000 0.917 53 K HN 0.272 nan 8.250 nan 0.000 0.478 54 R N 5.432 126.005 120.500 0.122 0.000 2.491 54 R HA 0.150 4.494 4.340 0.008 0.000 0.283 54 R C -1.992 174.385 176.300 0.130 0.000 1.072 54 R CA -1.676 54.481 56.100 0.097 0.000 1.048 54 R CB 0.151 30.497 30.300 0.076 0.000 0.983 54 R HN 0.580 nan 8.270 nan 0.000 0.450 55 P HA -0.095 nan 4.420 nan 0.000 0.266 55 P C -1.004 176.297 177.300 0.001 0.000 1.195 55 P CA 0.109 63.122 63.100 -0.145 0.000 0.768 55 P CB 0.290 31.864 31.700 -0.208 0.000 0.838 56 W N 1.455 122.792 121.300 0.061 0.000 2.497 56 W HA 0.663 5.328 4.660 0.008 0.000 0.359 56 W C -0.470 176.077 176.519 0.046 0.000 1.131 56 W CA -0.931 56.447 57.345 0.055 0.000 1.280 56 W CB 0.005 29.506 29.460 0.068 0.000 1.319 56 W HN 0.368 nan 8.180 nan 0.000 0.626 57 S N 1.465 117.328 115.700 0.272 0.000 2.565 57 S HA 0.841 5.316 4.470 0.008 0.000 0.290 57 S C 0.364 175.118 174.600 0.256 0.000 1.150 57 S CA -0.032 58.265 58.200 0.162 0.000 1.058 57 S CB 0.962 64.223 63.200 0.101 0.000 1.032 57 S HN 2.097 nan 8.310 nan 0.000 0.510 58 G N 0.452 109.363 108.800 0.185 0.000 2.693 58 G HA2 -0.132 3.833 3.960 0.008 0.000 0.226 58 G HA3 -0.132 3.833 3.960 0.008 0.000 0.226 58 G C -0.747 174.324 174.900 0.286 0.000 1.354 58 G CA -0.413 44.798 45.100 0.186 0.000 0.873 58 G HN 1.651 nan 8.290 nan 0.000 0.562 59 V N 0.826 120.865 119.914 0.209 0.000 2.364 59 V HA 0.524 4.649 4.120 0.008 0.000 0.272 59 V C 0.890 177.068 176.094 0.139 0.000 1.036 59 V CA -0.235 62.192 62.300 0.211 0.000 0.880 59 V CB 1.152 33.055 31.823 0.134 0.000 0.991 59 V HN 0.813 nan 8.190 nan 0.000 0.460 60 L N 4.685 125.977 121.223 0.114 0.000 2.360 60 L HA 0.318 4.663 4.340 0.008 0.000 0.276 60 L C 0.624 177.460 176.870 -0.057 0.000 1.121 60 L CA 0.090 54.835 54.840 -0.159 0.000 0.845 60 L CB 0.633 42.298 42.059 -0.657 0.000 1.143 60 L HN 0.692 nan 8.230 nan 0.000 0.452 61 D N 4.858 125.210 120.400 -0.080 0.000 2.358 61 D HA 0.128 4.772 4.640 0.008 0.000 0.258 61 D C -0.340 175.908 176.300 -0.086 0.000 1.223 61 D CA 0.114 54.077 54.000 -0.062 0.000 0.886 61 D CB 1.390 42.146 40.800 -0.073 0.000 1.120 61 D HN 0.683 nan 8.370 nan 0.000 0.482 62 A N 3.180 125.971 122.820 -0.047 0.000 2.985 62 A HA 0.187 4.511 4.320 0.008 0.000 0.303 62 A C 0.995 178.486 177.584 -0.156 0.000 1.048 62 A CA -0.428 51.574 52.037 -0.058 0.000 1.016 62 A CB -0.077 18.990 19.000 0.112 0.000 1.118 62 A HN 0.564 nan 8.150 nan 0.000 0.529 63 T N -3.198 111.247 114.554 -0.182 0.000 3.023 63 T HA 0.262 4.617 4.350 0.008 0.000 0.253 63 T C 0.668 175.205 174.700 -0.272 0.000 1.038 63 T CA 0.770 62.732 62.100 -0.229 0.000 0.962 63 T CB -0.199 68.567 68.868 -0.170 0.000 1.018 63 T HN 0.736 nan 8.240 nan 0.000 0.521 64 T N -0.456 113.937 114.554 -0.268 0.000 2.909 64 T HA 0.684 5.038 4.350 0.008 0.000 0.299 64 T C -0.724 173.818 174.700 -0.263 0.000 1.073 64 T CA -0.900 61.038 62.100 -0.271 0.000 0.999 64 T CB 1.023 69.799 68.868 -0.153 0.000 1.098 64 T HN 0.003 nan 8.240 nan 0.000 0.477 65 F N 1.936 121.812 119.950 -0.123 0.000 2.595 65 F HA 0.450 4.981 4.527 0.008 0.000 0.359 65 F C 1.049 176.747 175.800 -0.170 0.000 1.147 65 F CA 0.074 58.002 58.000 -0.120 0.000 1.341 65 F CB 0.505 39.464 39.000 -0.068 0.000 1.104 65 F HN 0.654 nan 8.300 nan 0.000 0.603 66 Q N 1.544 121.355 119.800 0.018 0.000 2.293 66 Q HA 0.338 4.683 4.340 0.008 0.000 0.216 66 Q C -0.570 175.355 176.000 -0.125 0.000 1.003 66 Q CA -0.724 54.940 55.803 -0.232 0.000 0.995 66 Q CB 0.628 28.988 28.738 -0.629 0.000 1.172 66 Q HN 0.488 nan 8.270 nan 0.000 0.518 67 N N -0.524 118.078 118.700 -0.164 0.000 2.395 67 N HA 0.030 4.774 4.740 0.008 0.000 0.246 67 N C -0.889 174.604 175.510 -0.030 0.000 1.246 67 N CA 0.125 53.130 53.050 -0.075 0.000 0.879 67 N CB 0.301 38.761 38.487 -0.044 0.000 1.098 67 N HN 0.310 nan 8.380 nan 0.000 0.444 68 V N 1.774 121.643 119.914 -0.075 0.000 2.546 68 V HA 0.091 4.216 4.120 0.008 0.000 0.284 68 V C 0.619 176.659 176.094 -0.089 0.000 1.050 68 V CA -0.839 61.405 62.300 -0.093 0.000 0.981 68 V CB 0.987 32.721 31.823 -0.148 0.000 0.990 68 V HN 0.704 nan 8.190 nan 0.000 0.474 69 c N 4.263 122.831 118.600 -0.053 0.000 2.657 69 c HA 0.112 4.687 4.570 0.008 0.000 0.420 69 c C 0.536 174.585 174.090 -0.068 0.000 1.323 69 c CA -0.627 55.678 56.329 -0.040 0.000 1.894 69 c CB -1.064 41.456 42.510 0.017 0.000 2.681 69 c HN 0.759 nan 8.230 nan 0.000 0.613 70 Y N 3.776 123.947 120.300 -0.214 0.000 2.805 70 Y HA 0.199 4.754 4.550 0.008 0.000 0.331 70 Y C 0.856 176.781 175.900 0.041 0.000 1.241 70 Y CA 1.060 59.030 58.100 -0.217 0.000 1.546 70 Y CB 0.122 38.218 38.460 -0.607 0.000 1.248 70 Y HN 0.762 nan 8.280 nan 0.000 0.559 71 Q N 3.937 123.841 119.800 0.174 0.000 2.578 71 Q HA 0.192 4.537 4.340 0.008 0.000 0.284 71 Q C -1.834 174.370 176.000 0.340 0.000 0.960 71 Q CA -1.217 54.790 55.803 0.339 0.000 0.809 71 Q CB 1.039 29.909 28.738 0.220 0.000 1.462 71 Q HN 0.638 nan 8.270 nan 0.000 0.392 72 Y N 1.247 121.778 120.300 0.386 0.000 2.717 72 Y HA 0.293 4.848 4.550 0.008 0.000 0.330 72 Y C -0.919 175.141 175.900 0.266 0.000 1.217 72 Y CA 0.497 58.827 58.100 0.383 0.000 1.506 72 Y CB 0.775 39.595 38.460 0.601 0.000 1.268 72 Y HN 0.439 nan 8.280 nan 0.000 0.561 73 V N 6.988 126.728 119.914 -0.290 0.000 2.417 73 V HA 0.113 4.237 4.120 0.008 0.000 0.291 73 V C -0.158 175.695 176.094 -0.402 0.000 1.024 73 V CA -1.186 60.993 62.300 -0.201 0.000 0.861 73 V CB 1.489 33.223 31.823 -0.148 0.000 0.985 73 V HN 0.755 nan 8.190 nan 0.000 0.436 74 D N 3.402 123.788 120.400 -0.022 0.000 2.390 74 D HA 0.136 4.781 4.640 0.008 0.000 0.249 74 D C 0.576 176.925 176.300 0.083 0.000 1.144 74 D CA 0.263 54.355 54.000 0.153 0.000 0.880 74 D CB 1.687 42.709 40.800 0.369 0.000 1.182 74 D HN 0.786 nan 8.370 nan 0.000 0.451 75 T N 1.371 115.966 114.554 0.069 0.000 3.393 75 T HA 0.025 4.380 4.350 0.008 0.000 0.298 75 T C 1.507 176.222 174.700 0.026 0.000 1.004 75 T CA -0.488 61.640 62.100 0.047 0.000 0.956 75 T CB 0.050 68.915 68.868 -0.006 0.000 1.182 75 T HN 0.215 nan 8.240 nan 0.000 0.497 76 L N 0.863 122.100 121.223 0.023 0.000 2.079 76 L HA 0.178 4.523 4.340 0.008 0.000 0.210 76 L C -0.459 176.121 176.870 -0.483 0.000 1.081 76 L CA 1.627 56.302 54.840 -0.274 0.000 0.752 76 L CB -0.492 41.312 42.059 -0.426 0.000 0.896 76 L HN 0.514 nan 8.230 nan 0.000 0.433 77 Y N 0.121 120.458 120.300 0.062 0.000 2.563 77 Y HA 0.386 4.941 4.550 0.008 0.000 0.351 77 Y C -2.267 173.676 175.900 0.072 0.000 1.087 77 Y CA -3.308 54.800 58.100 0.013 0.000 1.272 77 Y CB 0.070 38.483 38.460 -0.078 0.000 1.095 77 Y HN 0.048 nan 8.280 nan 0.000 0.620 78 P HA 0.139 nan 4.420 nan 0.000 0.267 78 P C 0.998 178.362 177.300 0.107 0.000 1.205 78 P CA 1.329 64.496 63.100 0.111 0.000 0.765 78 P CB 1.260 32.996 31.700 0.060 0.000 0.828 79 G N 2.461 111.309 108.800 0.080 0.000 2.176 79 G HA2 -0.284 3.680 3.960 0.008 0.000 0.253 79 G HA3 -0.284 3.680 3.960 0.008 0.000 0.253 79 G C -0.207 174.724 174.900 0.053 0.000 0.979 79 G CA -0.196 44.929 45.100 0.041 0.000 0.641 79 G HN 0.561 nan 8.290 nan 0.000 0.530 80 F N 2.225 122.131 119.950 -0.073 0.000 2.424 80 F HA 0.564 5.095 4.527 0.007 0.000 0.356 80 F C 1.354 177.049 175.800 -0.174 0.000 1.110 80 F CA -0.384 57.518 58.000 -0.164 0.000 1.161 80 F CB 1.112 39.981 39.000 -0.218 0.000 1.115 80 F HN 0.240 nan 8.300 nan 0.000 0.507 81 E N 3.885 123.598 120.200 -0.811 0.000 2.118 81 E HA -0.150 4.205 4.350 0.008 0.000 0.195 81 E C 2.055 178.169 176.600 -0.809 0.000 0.992 81 E CA 1.491 57.480 56.400 -0.685 0.000 0.804 81 E CB -0.341 29.032 29.700 -0.546 0.000 0.741 81 E HN 0.991 nan 8.360 nan 0.000 0.458 82 G N -0.197 107.643 108.800 -1.599 0.000 2.462 82 G HA2 -0.307 3.658 3.960 0.008 0.000 0.220 82 G HA3 -0.307 3.658 3.960 0.008 0.000 0.220 82 G C 1.657 176.631 174.900 0.123 0.000 1.121 82 G CA 1.578 46.117 45.100 -0.936 0.000 0.758 82 G HN 0.494 nan 8.290 nan 0.000 0.559 83 T N -2.029 112.565 114.554 0.066 0.000 3.021 83 T HA 0.123 4.478 4.350 0.008 0.000 0.245 83 T C 1.918 176.797 174.700 0.298 0.000 1.028 83 T CA 0.770 63.193 62.100 0.537 0.000 1.139 83 T CB -0.003 69.235 68.868 0.617 0.000 0.884 83 T HN 0.132 nan 8.240 nan 0.000 0.457 84 E N 2.318 122.549 120.200 0.051 0.000 2.204 84 E HA -0.089 4.265 4.350 0.008 0.000 0.195 84 E C 2.260 178.780 176.600 -0.134 0.000 0.990 84 E CA 1.304 57.692 56.400 -0.021 0.000 0.821 84 E CB -0.526 29.127 29.700 -0.079 0.000 0.750 84 E HN 0.796 nan 8.360 nan 0.000 0.477 85 M N -2.141 117.282 119.600 -0.296 0.000 2.435 85 M HA -0.095 4.389 4.480 0.008 0.000 0.262 85 M C 1.277 177.202 176.300 -0.625 0.000 1.065 85 M CA 1.502 56.475 55.300 -0.545 0.000 1.076 85 M CB -0.586 31.554 32.600 -0.766 0.000 1.403 85 M HN 0.009 nan 8.290 nan 0.000 0.454 86 W N 0.830 122.077 121.300 -0.088 0.000 3.211 86 W HA 0.288 4.953 4.660 0.007 0.000 0.292 86 W C 0.435 176.885 176.519 -0.115 0.000 1.268 86 W CA -0.974 56.299 57.345 -0.119 0.000 1.702 86 W CB -0.135 29.296 29.460 -0.049 0.000 1.092 86 W HN 0.102 nan 8.180 nan 0.000 0.643 87 N N 1.457 120.202 118.700 0.075 0.000 2.467 87 N HA 0.151 4.896 4.740 0.008 0.000 0.262 87 N C -2.411 173.056 175.510 -0.073 0.000 1.234 87 N CA -1.521 51.541 53.050 0.020 0.000 0.952 87 N CB -0.113 38.385 38.487 0.018 0.000 1.158 87 N HN -0.341 nan 8.380 nan 0.000 0.463 88 P HA 0.061 nan 4.420 nan 0.000 0.265 88 P C 0.186 177.406 177.300 -0.134 0.000 1.193 88 P CA 0.085 63.106 63.100 -0.132 0.000 0.765 88 P CB 0.332 31.951 31.700 -0.135 0.000 0.823 89 N N 2.022 120.627 118.700 -0.158 0.000 2.177 89 N HA 0.069 4.814 4.740 0.008 0.000 0.218 89 N C 0.043 175.483 175.510 -0.116 0.000 1.182 89 N CA -0.041 52.924 53.050 -0.142 0.000 0.882 89 N CB 0.480 38.864 38.487 -0.172 0.000 1.052 89 N HN 0.155 nan 8.380 nan 0.000 0.519 90 R N 0.219 120.648 120.500 -0.119 0.000 2.905 90 R HA 0.296 4.640 4.340 0.008 0.000 0.260 90 R C -0.450 175.786 176.300 -0.107 0.000 1.086 90 R CA -0.739 55.305 56.100 -0.093 0.000 0.978 90 R CB 0.649 30.902 30.300 -0.078 0.000 1.215 90 R HN 0.282 nan 8.270 nan 0.000 0.480 91 E N 1.437 121.580 120.200 -0.095 0.000 2.502 91 E HA -0.017 4.337 4.350 0.008 0.000 0.261 91 E C -0.567 175.949 176.600 -0.140 0.000 0.974 91 E CA -0.031 56.306 56.400 -0.105 0.000 0.936 91 E CB 0.490 30.143 29.700 -0.078 0.000 0.926 91 E HN 0.286 nan 8.360 nan 0.000 0.459 92 L N 3.798 124.894 121.223 -0.211 0.000 2.367 92 L HA 0.224 4.569 4.340 0.008 0.000 0.275 92 L C 0.326 177.080 176.870 -0.193 0.000 1.129 92 L CA -0.021 54.612 54.840 -0.344 0.000 0.839 92 L CB 1.048 42.638 42.059 -0.782 0.000 1.133 92 L HN 0.455 nan 8.230 nan 0.000 0.453 93 S N 1.286 116.935 115.700 -0.085 0.000 2.550 93 S HA 0.237 4.712 4.470 0.008 0.000 0.270 93 S C 0.323 174.933 174.600 0.018 0.000 1.145 93 S CA -0.671 57.559 58.200 0.050 0.000 0.852 93 S CB 1.736 64.945 63.200 0.013 0.000 1.119 93 S HN 0.736 nan 8.310 nan 0.000 0.465 94 E N 0.838 121.017 120.200 -0.034 0.000 2.347 94 E HA -0.055 4.300 4.350 0.008 0.000 0.196 94 E C -0.376 176.171 176.600 -0.088 0.000 1.008 94 E CA 0.487 56.790 56.400 -0.162 0.000 0.852 94 E CB 0.110 29.664 29.700 -0.243 0.000 0.783 94 E HN 0.535 nan 8.360 nan 0.000 0.505 95 D N 0.267 120.651 120.400 -0.027 0.000 2.453 95 D HA -0.002 4.643 4.640 0.008 0.000 0.223 95 D C 0.050 176.434 176.300 0.140 0.000 1.183 95 D CA -0.289 53.725 54.000 0.023 0.000 0.933 95 D CB 0.096 40.928 40.800 0.054 0.000 1.038 95 D HN 0.140 nan 8.370 nan 0.000 0.513 96 c N 2.659 121.311 118.600 0.088 0.000 4.095 96 c HA 0.357 4.932 4.570 0.008 0.000 0.327 96 c C 0.487 174.652 174.090 0.124 0.000 1.811 96 c CA -0.642 55.801 56.329 0.190 0.000 1.785 96 c CB -1.167 41.383 42.510 0.067 0.000 3.120 96 c HN 0.449 nan 8.230 nan 0.000 0.621 97 L N 2.619 123.657 121.223 -0.309 0.000 2.387 97 L HA 0.428 4.773 4.340 0.008 0.000 0.267 97 L C -0.985 175.306 176.870 -0.965 0.000 1.197 97 L CA 0.442 54.911 54.840 -0.618 0.000 1.070 97 L CB -0.556 40.995 42.059 -0.845 0.000 1.349 97 L HN 0.387 nan 8.230 nan 0.000 0.422 98 Y N 1.881 122.191 120.300 0.018 0.000 2.545 98 Y HA 0.631 5.186 4.550 0.008 0.000 0.348 98 Y C -0.083 176.024 175.900 0.346 0.000 1.002 98 Y CA -1.179 57.007 58.100 0.142 0.000 1.039 98 Y CB 2.062 40.541 38.460 0.030 0.000 1.271 98 Y HN 0.211 nan 8.280 nan 0.000 0.467 99 L N -0.147 121.263 121.223 0.313 0.000 2.283 99 L HA 0.795 5.140 4.340 0.008 0.000 0.259 99 L C -1.305 175.551 176.870 -0.023 0.000 1.027 99 L CA -1.083 53.794 54.840 0.062 0.000 0.828 99 L CB 1.818 43.710 42.059 -0.279 0.000 1.380 99 L HN 0.470 nan 8.230 nan 0.000 0.425 100 N N 0.073 118.755 118.700 -0.030 0.000 2.238 100 N HA 0.730 5.475 4.740 0.008 0.000 0.302 100 N C -1.560 173.845 175.510 -0.175 0.000 1.072 100 N CA -0.415 52.541 53.050 -0.157 0.000 0.792 100 N CB 2.874 41.271 38.487 -0.151 0.000 1.425 100 N HN 0.509 nan 8.380 nan 0.000 0.478 101 V N 1.440 121.174 119.914 -0.300 0.000 2.577 101 V HA 0.473 4.598 4.120 0.008 0.000 0.303 101 V C -0.865 175.159 176.094 -0.118 0.000 1.042 101 V CA -0.775 61.441 62.300 -0.140 0.000 0.872 101 V CB 2.275 33.870 31.823 -0.380 0.000 0.998 101 V HN 0.552 nan 8.190 nan 0.000 0.423 102 W N 2.839 124.220 121.300 0.135 0.000 2.632 102 W HA 0.717 5.382 4.660 0.009 0.000 0.328 102 W C 0.140 176.756 176.519 0.162 0.000 1.044 102 W CA -0.415 57.018 57.345 0.147 0.000 1.225 102 W CB 2.476 32.006 29.460 0.117 0.000 1.396 102 W HN 0.668 nan 8.180 nan 0.000 0.499 103 T N 0.068 114.865 114.554 0.404 0.000 2.864 103 T HA 0.505 4.860 4.350 0.008 0.000 0.299 103 T C -2.881 171.986 174.700 0.280 0.000 1.166 103 T CA -2.301 59.990 62.100 0.318 0.000 1.007 103 T CB 2.162 71.234 68.868 0.340 0.000 1.219 103 T HN -0.097 nan 8.240 nan 0.000 0.506 104 P HA 0.175 nan 4.420 nan 0.000 0.269 104 P C -1.555 175.890 177.300 0.240 0.000 1.211 104 P CA -0.035 63.182 63.100 0.194 0.000 0.781 104 P CB 0.061 31.845 31.700 0.140 0.000 0.877 105 Y N 2.613 122.967 120.300 0.090 0.000 2.338 105 Y HA 0.408 4.963 4.550 0.008 0.000 0.333 105 Y C -2.180 173.754 175.900 0.057 0.000 0.968 105 Y CA -2.486 55.659 58.100 0.076 0.000 1.123 105 Y CB 1.169 39.661 38.460 0.053 0.000 1.165 105 Y HN 0.330 nan 8.280 nan 0.000 0.452 106 P HA 0.191 nan 4.420 nan 0.000 0.272 106 P C -0.807 176.452 177.300 -0.069 0.000 1.240 106 P CA -0.290 62.610 63.100 -0.332 0.000 0.791 106 P CB 1.031 32.572 31.700 -0.264 0.000 0.978 107 R N 1.149 121.627 120.500 -0.038 0.000 2.698 107 R HA 0.136 4.481 4.340 0.008 0.000 0.266 107 R C -1.658 174.670 176.300 0.047 0.000 1.026 107 R CA -0.937 55.204 56.100 0.068 0.000 1.102 107 R CB -0.775 29.583 30.300 0.097 0.000 0.978 107 R HN 0.479 nan 8.270 nan 0.000 0.436 108 P HA -0.022 nan 4.420 nan 0.000 0.269 108 P C -0.334 176.985 177.300 0.032 0.000 1.215 108 P CA 0.099 63.231 63.100 0.053 0.000 0.780 108 P CB 0.770 32.511 31.700 0.068 0.000 0.898 109 A N 2.164 124.997 122.820 0.022 0.000 1.874 109 A HA 0.032 4.357 4.320 0.008 0.000 0.214 109 A C 1.189 178.779 177.584 0.010 0.000 1.189 109 A CA 1.529 53.572 52.037 0.010 0.000 0.615 109 A CB -0.973 18.031 19.000 0.008 0.000 0.830 109 A HN 0.702 nan 8.150 nan 0.000 0.443 110 S N -0.716 114.993 115.700 0.014 0.000 2.681 110 S HA 0.629 5.104 4.470 0.008 0.000 0.299 110 S C -3.139 171.472 174.600 0.018 0.000 1.113 110 S CA -1.802 56.404 58.200 0.011 0.000 1.013 110 S CB 1.069 64.273 63.200 0.007 0.000 1.076 110 S HN 0.034 nan 8.310 nan 0.000 0.534 111 P HA 0.216 nan 4.420 nan 0.000 0.263 111 P C -0.777 176.536 177.300 0.022 0.000 1.195 111 P CA 0.224 63.336 63.100 0.019 0.000 0.762 111 P CB 0.205 31.908 31.700 0.006 0.000 0.799 112 T N 5.562 120.141 114.554 0.041 0.000 2.807 112 T HA 0.398 4.753 4.350 0.008 0.000 0.279 112 T C -2.480 172.248 174.700 0.046 0.000 0.993 112 T CA -1.864 60.262 62.100 0.044 0.000 0.970 112 T CB 0.933 69.841 68.868 0.066 0.000 0.950 112 T HN 0.140 nan 8.240 nan 0.000 0.441 113 P HA 0.075 nan 4.420 nan 0.000 0.263 113 P C -0.801 176.537 177.300 0.063 0.000 1.175 113 P CA -0.083 63.032 63.100 0.026 0.000 0.761 113 P CB 0.352 32.051 31.700 -0.001 0.000 0.794 114 V N 5.233 125.200 119.914 0.088 0.000 2.483 114 V HA 0.342 4.466 4.120 0.008 0.000 0.295 114 V C 0.342 176.525 176.094 0.148 0.000 1.035 114 V CA -0.532 61.847 62.300 0.132 0.000 0.896 114 V CB 1.389 33.305 31.823 0.155 0.000 0.986 114 V HN 0.344 nan 8.190 nan 0.000 0.447 115 L N 5.611 126.940 121.223 0.178 0.000 2.313 115 L HA 0.599 4.944 4.340 0.008 0.000 0.283 115 L C -0.686 176.438 176.870 0.422 0.000 1.013 115 L CA -0.331 54.647 54.840 0.230 0.000 0.816 115 L CB 1.681 43.774 42.059 0.057 0.000 1.236 115 L HN 0.487 nan 8.230 nan 0.000 0.419 116 I N 2.890 123.743 120.570 0.473 0.000 2.362 116 I HA 0.227 4.402 4.170 0.008 0.000 0.289 116 I C -0.600 175.793 176.117 0.460 0.000 0.994 116 I CA -0.437 61.107 61.300 0.407 0.000 1.158 116 I CB 1.493 39.609 38.000 0.193 0.000 1.315 116 I HN 0.637 nan 8.210 nan 0.000 0.451 117 W N 8.507 129.881 121.300 0.123 0.000 2.351 117 W HA 0.587 5.250 4.660 0.007 0.000 0.311 117 W C -1.542 174.865 176.519 -0.187 0.000 1.168 117 W CA -0.634 56.547 57.345 -0.274 0.000 1.200 117 W CB 1.232 30.558 29.460 -0.223 0.000 1.221 117 W HN 0.357 nan 8.180 nan 0.000 0.519 118 I N 8.719 128.626 120.570 -1.105 0.000 2.411 118 I HA 0.115 4.290 4.170 0.008 0.000 0.284 118 I C -0.219 175.063 176.117 -1.391 0.000 1.012 118 I CA -1.154 59.566 61.300 -0.966 0.000 1.119 118 I CB 0.853 38.478 38.000 -0.625 0.000 1.261 118 I HN 0.345 nan 8.210 nan 0.000 0.448 119 Y N 4.398 124.165 120.300 -0.888 0.000 2.426 119 Y HA 0.679 5.234 4.550 0.008 0.000 0.344 119 Y C 0.773 176.464 175.900 -0.347 0.000 1.256 119 Y CA -0.535 57.170 58.100 -0.658 0.000 1.451 119 Y CB 0.215 38.484 38.460 -0.318 0.000 1.342 119 Y HN 0.538 nan 8.280 nan 0.000 0.600 120 G N -0.937 107.826 108.800 -0.062 0.000 2.642 120 G HA2 0.507 4.472 3.960 0.008 0.000 0.291 120 G HA3 0.507 4.472 3.960 0.008 0.000 0.291 120 G C 0.169 174.981 174.900 -0.147 0.000 1.345 120 G CA -0.975 44.020 45.100 -0.175 0.000 1.043 120 G HN 1.657 nan 8.290 nan 0.000 0.528 121 G N -2.727 105.831 108.800 -0.404 0.000 2.223 121 G HA2 0.420 4.385 3.960 0.008 0.000 0.200 121 G HA3 0.420 4.385 3.960 0.008 0.000 0.200 121 G C 0.983 175.378 174.900 -0.842 0.000 1.061 121 G CA 0.746 45.500 45.100 -0.577 0.000 0.790 121 G HN 2.360 nan 8.290 nan 0.000 0.498 122 G N -0.512 107.755 108.800 -0.889 0.000 2.155 122 G HA2 -0.138 3.827 3.960 0.008 0.000 0.257 122 G HA3 -0.138 3.827 3.960 0.008 0.000 0.257 122 G C 0.905 175.545 174.900 -0.432 0.000 0.983 122 G CA 0.692 44.995 45.100 -1.327 0.000 0.676 122 G HN 1.765 nan 8.290 nan 0.000 0.528 123 F N -2.991 116.833 119.950 -0.210 0.000 2.973 123 F HA -0.322 4.209 4.527 0.008 0.000 0.299 123 F C 1.446 177.376 175.800 0.217 0.000 0.737 123 F CA 2.224 60.220 58.000 -0.008 0.000 1.151 123 F CB -2.082 36.736 39.000 -0.302 0.000 1.440 123 F HN 0.933 nan 8.300 nan 0.000 0.367 124 Y N -1.136 119.300 120.300 0.226 0.000 2.453 124 Y HA 0.639 5.193 4.550 0.008 0.000 0.247 124 Y C 0.567 176.633 175.900 0.276 0.000 1.124 124 Y CA 0.286 58.571 58.100 0.308 0.000 1.243 124 Y CB 0.097 38.782 38.460 0.375 0.000 1.213 124 Y HN 0.092 nan 8.280 nan 0.000 0.523 125 S N -0.752 114.761 115.700 -0.312 0.000 2.643 125 S HA 0.866 5.341 4.470 0.008 0.000 0.270 125 S C -0.246 174.210 174.600 -0.240 0.000 1.166 125 S CA -0.441 57.584 58.200 -0.292 0.000 0.815 125 S CB 1.477 64.352 63.200 -0.542 0.000 1.139 125 S HN 1.391 nan 8.310 nan 0.000 0.472 126 G N -0.539 108.086 108.800 -0.291 0.000 2.440 126 G HA2 0.552 4.517 3.960 0.008 0.000 0.684 126 G HA3 0.552 4.517 3.960 0.008 0.000 0.684 126 G C -0.673 173.620 174.900 -1.012 0.000 1.309 126 G CA -0.244 44.514 45.100 -0.571 0.000 0.931 126 G HN 2.282 nan 8.290 nan 0.000 0.612 127 A N -1.278 120.774 122.820 -1.280 0.000 2.577 127 A HA 0.983 5.308 4.320 0.008 0.000 0.297 127 A C 0.569 177.913 177.584 -0.400 0.000 1.060 127 A CA 0.684 52.244 52.037 -0.795 0.000 0.697 127 A CB 0.921 19.699 19.000 -0.371 0.000 1.281 127 A HN 2.584 nan 8.150 nan 0.000 0.402 128 A N 0.622 123.437 122.820 -0.009 0.000 2.206 128 A HA 0.228 4.553 4.320 0.008 0.000 0.211 128 A C 1.754 179.398 177.584 0.101 0.000 1.158 128 A CA 1.840 54.056 52.037 0.298 0.000 0.761 128 A CB -0.537 18.714 19.000 0.418 0.000 0.801 128 A HN 1.847 nan 8.150 nan 0.000 0.473 129 S N -0.526 115.000 115.700 -0.290 0.000 2.575 129 S HA 0.308 4.783 4.470 0.008 0.000 0.215 129 S C 0.498 174.662 174.600 -0.726 0.000 0.966 129 S CA -0.438 57.143 58.200 -1.033 0.000 0.911 129 S CB -0.588 61.922 63.200 -1.149 0.000 0.780 129 S HN 0.383 nan 8.310 nan 0.000 0.514 130 L N 2.042 123.027 121.223 -0.397 0.000 2.461 130 L HA 0.215 4.560 4.340 0.008 0.000 0.272 130 L C 1.164 177.734 176.870 -0.500 0.000 1.197 130 L CA -0.540 54.017 54.840 -0.471 0.000 0.836 130 L CB 0.205 41.902 42.059 -0.604 0.000 1.105 130 L HN 0.030 nan 8.230 nan 0.000 0.477 131 D N 0.930 121.066 120.400 -0.441 0.000 2.149 131 D HA -0.151 4.494 4.640 0.008 0.000 0.198 131 D C 1.980 178.010 176.300 -0.449 0.000 0.990 131 D CA 1.327 55.125 54.000 -0.336 0.000 0.839 131 D CB -0.060 40.572 40.800 -0.280 0.000 0.948 131 D HN 0.515 nan 8.370 nan 0.000 0.460 132 V N -1.481 118.011 119.914 -0.703 0.000 3.078 132 V HA -0.148 3.976 4.120 0.008 0.000 0.265 132 V C 0.859 176.335 176.094 -1.029 0.000 1.122 132 V CA 1.016 62.845 62.300 -0.784 0.000 1.141 132 V CB -1.188 30.127 31.823 -0.847 0.000 0.735 132 V HN 0.093 nan 8.190 nan 0.000 0.498 133 Y N 0.211 119.978 120.300 -0.888 0.000 2.658 133 Y HA 0.473 5.028 4.550 0.007 0.000 0.276 133 Y C 0.720 176.076 175.900 -0.906 0.000 1.167 133 Y CA -2.053 55.180 58.100 -1.444 0.000 1.230 133 Y CB -0.733 37.219 38.460 -0.847 0.000 1.144 133 Y HN 0.216 nan 8.280 nan 0.000 0.529 134 D N 0.790 120.907 120.400 -0.472 0.000 2.363 134 D HA 0.071 4.716 4.640 0.008 0.000 0.263 134 D C 1.387 177.392 176.300 -0.491 0.000 1.258 134 D CA 0.334 54.121 54.000 -0.355 0.000 0.907 134 D CB 1.271 42.025 40.800 -0.078 0.000 1.107 134 D HN 0.483 nan 8.370 nan 0.000 0.495 135 G N 3.921 111.838 108.800 -1.472 0.000 2.848 135 G HA2 -0.170 3.794 3.960 0.008 0.000 0.208 135 G HA3 -0.170 3.794 3.960 0.008 0.000 0.208 135 G C 1.465 175.846 174.900 -0.866 0.000 1.152 135 G CA 0.244 44.668 45.100 -1.126 0.000 0.789 135 G HN 0.615 nan 8.290 nan 0.000 0.531 136 R N -0.766 119.199 120.500 -0.892 0.000 2.092 136 R HA 0.029 4.374 4.340 0.008 0.000 0.231 136 R C 1.681 177.723 176.300 -0.430 0.000 1.119 136 R CA 1.197 56.968 56.100 -0.549 0.000 0.970 136 R CB -0.618 29.349 30.300 -0.556 0.000 0.864 136 R HN 0.324 nan 8.270 nan 0.000 0.440 137 F N 1.365 121.231 119.950 -0.140 0.000 2.187 137 F HA 0.090 4.622 4.527 0.009 0.000 0.295 137 F C 2.257 178.003 175.800 -0.091 0.000 1.091 137 F CA 0.628 58.569 58.000 -0.098 0.000 1.308 137 F CB -0.489 38.443 39.000 -0.113 0.000 1.030 137 F HN -0.141 nan 8.300 nan 0.000 0.487 138 L N 0.081 121.344 121.223 0.067 0.000 2.012 138 L HA -0.237 4.108 4.340 0.008 0.000 0.210 138 L C 2.764 179.643 176.870 0.016 0.000 1.073 138 L CA 1.298 56.133 54.840 -0.009 0.000 0.748 138 L CB -0.957 41.049 42.059 -0.088 0.000 0.891 138 L HN 0.190 nan 8.230 nan 0.000 0.431 139 A N -1.083 121.751 122.820 0.024 0.000 1.877 139 A HA -0.257 4.068 4.320 0.008 0.000 0.216 139 A C 2.288 179.914 177.584 0.072 0.000 1.186 139 A CA 1.739 53.826 52.037 0.083 0.000 0.620 139 A CB -0.512 18.579 19.000 0.151 0.000 0.822 139 A HN 0.420 nan 8.150 nan 0.000 0.443 140 Q N -0.245 119.579 119.800 0.040 0.000 2.033 140 Q HA -0.063 4.282 4.340 0.008 0.000 0.196 140 Q C 2.229 178.258 176.000 0.048 0.000 0.970 140 Q CA 1.958 57.788 55.803 0.044 0.000 0.828 140 Q CB -0.294 28.451 28.738 0.011 0.000 0.895 140 Q HN 0.411 nan 8.270 nan 0.000 0.440 141 V N 1.357 121.301 119.914 0.049 0.000 2.407 141 V HA -0.123 4.002 4.120 0.008 0.000 0.245 141 V C 1.809 177.919 176.094 0.028 0.000 1.041 141 V CA 1.585 63.909 62.300 0.041 0.000 1.040 141 V CB -0.206 31.643 31.823 0.043 0.000 0.671 141 V HN 0.245 nan 8.190 nan 0.000 0.455 142 E N -0.303 119.912 120.200 0.024 0.000 2.476 142 E HA 0.196 4.551 4.350 0.008 0.000 0.199 142 E C 1.687 178.305 176.600 0.031 0.000 1.021 142 E CA 0.739 57.149 56.400 0.018 0.000 0.907 142 E CB 0.554 30.256 29.700 0.003 0.000 0.974 142 E HN 0.603 nan 8.360 nan 0.000 0.489 143 G N 1.690 110.518 108.800 0.046 0.000 2.160 143 G HA2 -0.298 3.666 3.960 0.008 0.000 0.251 143 G HA3 -0.298 3.666 3.960 0.008 0.000 0.251 143 G C 0.476 175.418 174.900 0.071 0.000 1.008 143 G CA 0.358 45.495 45.100 0.061 0.000 0.724 143 G HN 0.471 nan 8.290 nan 0.000 0.514 144 A N -0.793 122.069 122.820 0.069 0.000 2.351 144 A HA 0.722 5.047 4.320 0.008 0.000 0.257 144 A C 0.513 178.175 177.584 0.129 0.000 1.087 144 A CA 0.102 52.186 52.037 0.078 0.000 0.798 144 A CB 1.166 20.195 19.000 0.047 0.000 1.033 144 A HN 1.151 nan 8.150 nan 0.000 0.488 145 V N 2.754 122.753 119.914 0.140 0.000 2.383 145 V HA 0.401 4.526 4.120 0.008 0.000 0.275 145 V C -0.106 176.117 176.094 0.215 0.000 1.036 145 V CA -0.106 62.306 62.300 0.186 0.000 0.889 145 V CB 0.706 32.630 31.823 0.168 0.000 0.985 145 V HN 0.727 nan 8.190 nan 0.000 0.459 146 L N 6.116 127.519 121.223 0.300 0.000 2.365 146 L HA 0.796 5.140 4.340 0.008 0.000 0.273 146 L C -1.019 176.130 176.870 0.464 0.000 1.000 146 L CA -0.371 54.697 54.840 0.380 0.000 0.819 146 L CB 2.026 44.305 42.059 0.367 0.000 1.284 146 L HN 0.445 nan 8.230 nan 0.000 0.418 147 V N 3.018 123.186 119.914 0.424 0.000 2.531 147 V HA 0.657 4.782 4.120 0.008 0.000 0.301 147 V C -0.519 175.809 176.094 0.389 0.000 1.034 147 V CA -0.459 62.041 62.300 0.333 0.000 0.865 147 V CB 1.859 33.806 31.823 0.207 0.000 0.995 147 V HN 0.832 nan 8.190 nan 0.000 0.424 148 S N 5.261 121.194 115.700 0.389 0.000 2.536 148 S HA 0.884 5.359 4.470 0.008 0.000 0.287 148 S C -0.770 173.971 174.600 0.236 0.000 1.101 148 S CA -0.850 57.581 58.200 0.385 0.000 0.950 148 S CB 2.139 65.698 63.200 0.598 0.000 1.056 148 S HN 0.873 nan 8.310 nan 0.000 0.481 149 M N 1.462 121.167 119.600 0.175 0.000 2.535 149 M HA 0.632 5.116 4.480 0.008 0.000 0.314 149 M C -1.449 175.052 176.300 0.335 0.000 1.153 149 M CA -0.715 54.662 55.300 0.128 0.000 0.924 149 M CB 1.430 33.950 32.600 -0.133 0.000 1.710 149 M HN 0.464 nan 8.290 nan 0.000 0.451 150 N N 2.524 121.480 118.700 0.428 0.000 2.530 150 N HA 0.538 5.283 4.740 0.008 0.000 0.277 150 N C -1.481 174.300 175.510 0.451 0.000 1.168 150 N CA 0.121 53.438 53.050 0.446 0.000 0.979 150 N CB 0.625 39.310 38.487 0.330 0.000 1.141 150 N HN 0.736 nan 8.380 nan 0.000 0.459 151 Y N -2.162 118.314 120.300 0.293 0.000 2.562 151 Y HA 0.556 5.111 4.550 0.008 0.000 0.345 151 Y C -0.175 175.854 175.900 0.215 0.000 1.045 151 Y CA -1.321 56.898 58.100 0.199 0.000 1.028 151 Y CB 0.944 39.446 38.460 0.071 0.000 1.297 151 Y HN 0.197 nan 8.280 nan 0.000 0.463 152 R N 1.783 122.445 120.500 0.270 0.000 2.590 152 R HA 0.523 4.868 4.340 0.008 0.000 0.274 152 R C -0.407 176.073 176.300 0.300 0.000 1.061 152 R CA -0.250 55.961 56.100 0.185 0.000 1.081 152 R CB 1.029 31.392 30.300 0.105 0.000 0.984 152 R HN 0.717 nan 8.270 nan 0.000 0.448 153 V N -0.676 119.447 119.914 0.350 0.000 3.126 153 V HA 0.883 5.008 4.120 0.008 0.000 0.314 153 V C 0.654 177.088 176.094 0.566 0.000 1.138 153 V CA -0.112 62.511 62.300 0.537 0.000 1.034 153 V CB 1.247 33.293 31.823 0.371 0.000 1.075 153 V HN 0.977 nan 8.190 nan 0.000 0.442 154 G N 1.991 111.163 108.800 0.621 0.000 2.564 154 G HA2 -0.283 3.681 3.960 0.008 0.000 0.273 154 G HA3 -0.283 3.681 3.960 0.008 0.000 0.273 154 G C 1.042 176.067 174.900 0.209 0.000 1.242 154 G CA 1.408 46.772 45.100 0.441 0.000 0.951 154 G HN 2.395 nan 8.290 nan 0.000 0.564 155 T N -1.739 112.634 114.554 -0.301 0.000 2.720 155 T HA -0.076 4.278 4.350 0.008 0.000 0.268 155 T C 2.147 176.698 174.700 -0.249 0.000 1.037 155 T CA 2.618 64.308 62.100 -0.682 0.000 1.144 155 T CB -0.406 67.894 68.868 -0.946 0.000 0.864 155 T HN 0.594 nan 8.240 nan 0.000 0.444 156 F N 2.204 122.191 119.950 0.061 0.000 2.171 156 F HA 0.221 4.753 4.527 0.008 0.000 0.300 156 F C 2.805 178.595 175.800 -0.017 0.000 1.090 156 F CA 0.827 58.822 58.000 -0.009 0.000 1.293 156 F CB -1.005 37.972 39.000 -0.038 0.000 1.013 156 F HN 0.374 nan 8.300 nan 0.000 0.486 157 G N -2.039 106.842 108.800 0.135 0.000 2.595 157 G HA2 -0.018 3.947 3.960 0.008 0.000 0.213 157 G HA3 -0.018 3.947 3.960 0.008 0.000 0.213 157 G C 0.940 175.384 174.900 -0.760 0.000 1.141 157 G CA 0.327 45.247 45.100 -0.300 0.000 0.806 157 G HN 0.347 nan 8.290 nan 0.000 0.530 158 F N -0.794 119.245 119.950 0.148 0.000 2.915 158 F HA 0.428 4.960 4.527 0.008 0.000 0.347 158 F C 0.459 176.342 175.800 0.139 0.000 1.104 158 F CA -0.996 57.077 58.000 0.121 0.000 1.126 158 F CB 0.370 39.457 39.000 0.146 0.000 1.145 158 F HN -0.081 nan 8.300 nan 0.000 0.541 159 L N 2.032 123.325 121.223 0.116 0.000 2.455 159 L HA 0.594 4.939 4.340 0.008 0.000 0.272 159 L C -0.128 176.719 176.870 -0.037 0.000 1.174 159 L CA -0.023 54.811 54.840 -0.010 0.000 0.869 159 L CB 0.520 42.292 42.059 -0.477 0.000 1.130 159 L HN 0.099 nan 8.230 nan 0.000 0.474 160 A N 6.192 129.023 122.820 0.019 0.000 2.422 160 A HA 0.661 4.985 4.320 0.008 0.000 0.302 160 A C -1.168 176.390 177.584 -0.043 0.000 1.041 160 A CA -0.593 51.431 52.037 -0.021 0.000 0.708 160 A CB 1.368 20.387 19.000 0.031 0.000 1.257 160 A HN 0.716 nan 8.150 nan 0.000 0.414 161 L N 3.197 124.380 121.223 -0.066 0.000 2.371 161 L HA 0.326 4.671 4.340 0.008 0.000 0.262 161 L C -2.453 174.401 176.870 -0.027 0.000 1.054 161 L CA -1.823 52.987 54.840 -0.051 0.000 0.924 161 L CB 1.472 43.488 42.059 -0.072 0.000 1.295 161 L HN 0.408 nan 8.230 nan 0.000 0.441 162 P HA 0.069 nan 4.420 nan 0.000 0.265 162 P C 0.970 178.269 177.300 -0.003 0.000 1.193 162 P CA 0.725 63.823 63.100 -0.003 0.000 0.765 162 P CB 0.941 32.641 31.700 -0.001 0.000 0.823 163 G N 1.572 110.374 108.800 0.004 0.000 2.241 163 G HA2 -0.250 3.715 3.960 0.008 0.000 0.244 163 G HA3 -0.250 3.715 3.960 0.008 0.000 0.244 163 G C 0.432 175.334 174.900 0.003 0.000 0.998 163 G CA 0.307 45.410 45.100 0.004 0.000 0.621 163 G HN 0.807 nan 8.290 nan 0.000 0.519 164 S N -0.159 115.541 115.700 -0.001 0.000 2.614 164 S HA 0.605 5.080 4.470 0.008 0.000 0.265 164 S C 1.254 175.859 174.600 0.009 0.000 1.303 164 S CA 0.453 58.652 58.200 -0.001 0.000 1.000 164 S CB 1.988 65.179 63.200 -0.014 0.000 0.935 164 S HN 0.559 nan 8.310 nan 0.000 0.551 165 R N 0.256 120.764 120.500 0.013 0.000 2.112 165 R HA 0.047 4.392 4.340 0.008 0.000 0.216 165 R C 0.970 177.289 176.300 0.031 0.000 1.080 165 R CA 1.090 57.203 56.100 0.022 0.000 0.996 165 R CB -0.214 30.098 30.300 0.020 0.000 0.902 165 R HN 0.802 nan 8.270 nan 0.000 0.449 166 E N -0.441 119.776 120.200 0.029 0.000 2.447 166 E HA 0.169 4.523 4.350 0.008 0.000 0.195 166 E C -0.311 176.330 176.600 0.069 0.000 1.028 166 E CA 0.555 56.986 56.400 0.052 0.000 0.876 166 E CB 1.340 31.069 29.700 0.048 0.000 0.885 166 E HN 0.301 nan 8.360 nan 0.000 0.500 167 A N 1.113 123.946 122.820 0.022 0.000 3.307 167 A HA 0.289 4.614 4.320 0.008 0.000 0.289 167 A C -2.280 175.299 177.584 -0.008 0.000 1.138 167 A CA -0.875 51.160 52.037 -0.003 0.000 0.860 167 A CB 0.529 19.432 19.000 -0.161 0.000 1.318 167 A HN -0.082 nan 8.150 nan 0.000 0.551 168 P HA 0.227 nan 4.420 nan 0.000 0.240 168 P C 0.870 178.184 177.300 0.023 0.000 1.190 168 P CA 1.523 64.636 63.100 0.023 0.000 0.781 168 P CB 0.294 32.017 31.700 0.037 0.000 0.931 169 G N 0.888 109.699 108.800 0.018 0.000 2.699 169 G HA2 -0.170 3.795 3.960 0.008 0.000 0.686 169 G HA3 -0.170 3.795 3.960 0.008 0.000 0.686 169 G C -0.148 174.745 174.900 -0.011 0.000 1.301 169 G CA -0.317 44.796 45.100 0.021 0.000 0.816 169 G HN 0.112 nan 8.290 nan 0.000 0.595 170 N N -2.357 116.328 118.700 -0.025 0.000 2.753 170 N HA -0.271 4.473 4.740 0.008 0.000 0.251 170 N C 1.834 177.194 175.510 -0.250 0.000 1.097 170 N CA 2.383 55.355 53.050 -0.130 0.000 0.786 170 N CB -1.664 36.699 38.487 -0.206 0.000 1.137 170 N HN 1.902 nan 8.380 nan 0.000 0.566 171 V N -2.896 116.867 119.914 -0.252 0.000 2.515 171 V HA 0.040 4.164 4.120 0.008 0.000 0.250 171 V C 2.329 178.293 176.094 -0.217 0.000 1.058 171 V CA 2.208 64.409 62.300 -0.166 0.000 1.064 171 V CB -0.861 30.917 31.823 -0.075 0.000 0.675 171 V HN 0.260 nan 8.190 nan 0.000 0.461 172 G N 0.536 109.027 108.800 -0.515 0.000 2.422 172 G HA2 -0.165 3.800 3.960 0.008 0.000 0.218 172 G HA3 -0.165 3.800 3.960 0.008 0.000 0.218 172 G C 1.563 176.419 174.900 -0.072 0.000 1.146 172 G CA 1.201 46.128 45.100 -0.289 0.000 0.769 172 G HN 0.536 nan 8.290 nan 0.000 0.547 173 L N -0.237 120.888 121.223 -0.163 0.000 2.141 173 L HA 0.054 4.399 4.340 0.008 0.000 0.209 173 L C 2.802 179.668 176.870 -0.007 0.000 1.094 173 L CA 0.414 55.126 54.840 -0.215 0.000 0.763 173 L CB -0.250 41.359 42.059 -0.751 0.000 0.908 173 L HN 0.196 nan 8.230 nan 0.000 0.437 174 L N -0.756 120.473 121.223 0.010 0.000 2.156 174 L HA -0.168 4.177 4.340 0.008 0.000 0.208 174 L C 2.139 179.121 176.870 0.187 0.000 1.095 174 L CA 0.667 55.611 54.840 0.172 0.000 0.770 174 L CB -0.550 41.591 42.059 0.137 0.000 0.914 174 L HN 0.249 nan 8.230 nan 0.000 0.439 175 D N 0.109 120.607 120.400 0.164 0.000 2.104 175 D HA -0.218 4.427 4.640 0.008 0.000 0.194 175 D C 2.257 178.718 176.300 0.267 0.000 0.994 175 D CA 1.271 55.449 54.000 0.297 0.000 0.830 175 D CB -0.200 40.786 40.800 0.310 0.000 0.959 175 D HN 0.393 nan 8.370 nan 0.000 0.452 176 Q N 0.064 119.944 119.800 0.133 0.000 2.050 176 Q HA -0.124 4.220 4.340 0.008 0.000 0.202 176 Q C 2.313 178.308 176.000 -0.008 0.000 0.980 176 Q CA 0.998 56.803 55.803 0.003 0.000 0.840 176 Q CB -0.071 28.664 28.738 -0.006 0.000 0.898 176 Q HN 0.205 nan 8.270 nan 0.000 0.424 177 R N 0.588 121.184 120.500 0.159 0.000 2.081 177 R HA -0.176 4.169 4.340 0.008 0.000 0.235 177 R C 2.200 178.567 176.300 0.113 0.000 1.131 177 R CA 1.051 57.239 56.100 0.146 0.000 0.960 177 R CB -0.230 30.263 30.300 0.322 0.000 0.856 177 R HN 0.212 nan 8.270 nan 0.000 0.436 178 L N 0.826 122.150 121.223 0.168 0.000 2.083 178 L HA -0.062 4.282 4.340 0.008 0.000 0.209 178 L C 2.272 179.228 176.870 0.143 0.000 1.083 178 L CA 2.066 57.036 54.840 0.217 0.000 0.752 178 L CB -0.663 41.602 42.059 0.345 0.000 0.899 178 L HN 0.269 nan 8.230 nan 0.000 0.433 179 A N -0.716 122.015 122.820 -0.148 0.000 1.933 179 A HA -0.155 4.170 4.320 0.008 0.000 0.218 179 A C 2.224 179.777 177.584 -0.053 0.000 1.175 179 A CA 1.802 53.581 52.037 -0.430 0.000 0.628 179 A CB -0.763 17.725 19.000 -0.854 0.000 0.814 179 A HN 0.491 nan 8.150 nan 0.000 0.444 180 L N -1.031 120.171 121.223 -0.036 0.000 2.093 180 L HA -0.246 4.099 4.340 0.008 0.000 0.208 180 L C 2.845 179.780 176.870 0.108 0.000 1.085 180 L CA 1.588 56.441 54.840 0.022 0.000 0.755 180 L CB -0.799 41.231 42.059 -0.049 0.000 0.904 180 L HN 0.508 nan 8.230 nan 0.000 0.435 181 Q N -0.968 118.907 119.800 0.125 0.000 2.084 181 Q HA -0.259 4.086 4.340 0.008 0.000 0.202 181 Q C 2.038 178.143 176.000 0.175 0.000 0.978 181 Q CA 1.997 57.881 55.803 0.135 0.000 0.844 181 Q CB -0.317 28.503 28.738 0.136 0.000 0.898 181 Q HN 0.525 nan 8.270 nan 0.000 0.426 182 W N 0.728 122.058 121.300 0.049 0.000 2.321 182 W HA -0.269 4.395 4.660 0.007 0.000 0.306 182 W C 1.892 178.452 176.519 0.067 0.000 1.217 182 W CA 1.525 58.914 57.345 0.074 0.000 1.257 182 W CB -0.144 29.367 29.460 0.084 0.000 1.145 182 W HN -0.129 nan 8.180 nan 0.000 0.509 183 V N 0.770 120.937 119.914 0.422 0.000 2.295 183 V HA -0.345 3.779 4.120 0.008 0.000 0.246 183 V C 2.550 178.688 176.094 0.073 0.000 1.049 183 V CA 2.084 64.557 62.300 0.288 0.000 1.024 183 V CB -1.058 30.932 31.823 0.280 0.000 0.648 183 V HN 0.214 nan 8.190 nan 0.000 0.447 184 Q N -0.188 119.657 119.800 0.075 0.000 2.096 184 Q HA -0.275 4.070 4.340 0.008 0.000 0.204 184 Q C 2.250 178.232 176.000 -0.031 0.000 0.982 184 Q CA 2.202 58.029 55.803 0.039 0.000 0.850 184 Q CB -0.277 28.491 28.738 0.050 0.000 0.901 184 Q HN 0.813 nan 8.270 nan 0.000 0.422 185 E N -0.302 119.840 120.200 -0.095 0.000 2.158 185 E HA -0.073 4.282 4.350 0.008 0.000 0.191 185 E C 1.212 177.663 176.600 -0.249 0.000 0.982 185 E CA 0.706 57.013 56.400 -0.156 0.000 0.823 185 E CB 0.310 29.909 29.700 -0.168 0.000 0.766 185 E HN 0.258 nan 8.360 nan 0.000 0.468 186 N N -0.177 118.276 118.700 -0.411 0.000 2.257 186 N HA 0.002 4.746 4.740 0.008 0.000 0.200 186 N C 1.415 176.808 175.510 -0.195 0.000 1.163 186 N CA 0.058 52.804 53.050 -0.506 0.000 0.891 186 N CB 0.360 38.091 38.487 -1.260 0.000 1.067 186 N HN 0.138 nan 8.380 nan 0.000 0.497 187 I N 2.287 122.817 120.570 -0.067 0.000 2.493 187 I HA -0.088 4.086 4.170 0.008 0.000 0.254 187 I C 2.102 178.333 176.117 0.191 0.000 1.160 187 I CA 0.550 61.953 61.300 0.172 0.000 1.445 187 I CB -0.218 37.874 38.000 0.153 0.000 1.086 187 I HN 0.038 nan 8.210 nan 0.000 0.433 188 A N 0.248 123.103 122.820 0.058 0.000 2.024 188 A HA -0.125 4.200 4.320 0.008 0.000 0.220 188 A C 2.441 180.015 177.584 -0.017 0.000 1.164 188 A CA 1.543 53.595 52.037 0.024 0.000 0.643 188 A CB -1.026 17.964 19.000 -0.017 0.000 0.806 188 A HN 0.473 nan 8.150 nan 0.000 0.451 189 A N -1.721 121.045 122.820 -0.090 0.000 2.121 189 A HA 0.140 4.465 4.320 0.008 0.000 0.218 189 A C 1.510 178.844 177.584 -0.416 0.000 1.154 189 A CA 1.072 52.931 52.037 -0.296 0.000 0.679 189 A CB -0.556 18.157 19.000 -0.479 0.000 0.795 189 A HN 0.504 nan 8.150 nan 0.000 0.458 190 F N -1.626 118.277 119.950 -0.078 0.000 2.678 190 F HA 0.383 4.915 4.527 0.008 0.000 0.305 190 F C 1.745 177.550 175.800 0.008 0.000 1.090 190 F CA 0.570 58.537 58.000 -0.055 0.000 1.272 190 F CB 0.522 39.498 39.000 -0.039 0.000 1.060 190 F HN 0.316 nan 8.300 nan 0.000 0.576 191 G N 0.385 109.270 108.800 0.141 0.000 2.157 191 G HA2 -0.169 3.796 3.960 0.008 0.000 0.239 191 G HA3 -0.169 3.796 3.960 0.008 0.000 0.239 191 G C 0.611 175.578 174.900 0.112 0.000 0.982 191 G CA -0.287 44.874 45.100 0.101 0.000 0.650 191 G HN 0.698 nan 8.290 nan 0.000 0.527 192 G N -0.596 108.292 108.800 0.145 0.000 2.507 192 G HA2 0.479 4.444 3.960 0.008 0.000 0.271 192 G HA3 0.479 4.444 3.960 0.008 0.000 0.271 192 G C -0.756 174.193 174.900 0.082 0.000 1.189 192 G CA 0.285 45.458 45.100 0.121 0.000 0.859 192 G HN 0.224 nan 8.290 nan 0.000 0.542 193 D N 0.901 121.340 120.400 0.065 0.000 2.454 193 D HA 0.293 4.937 4.640 0.008 0.000 0.225 193 D C -1.244 175.086 176.300 0.050 0.000 1.081 193 D CA -2.340 51.681 54.000 0.035 0.000 0.864 193 D CB 1.876 42.679 40.800 0.005 0.000 1.040 193 D HN 0.036 nan 8.370 nan 0.000 0.517 194 P HA -0.070 nan 4.420 nan 0.000 0.228 194 P C 1.163 178.546 177.300 0.139 0.000 1.151 194 P CA 0.614 63.773 63.100 0.098 0.000 0.770 194 P CB 0.167 31.908 31.700 0.068 0.000 0.786 195 M N -1.235 118.381 119.600 0.027 0.000 2.561 195 M HA 0.078 4.563 4.480 0.008 0.000 0.238 195 M C 0.646 176.628 176.300 -0.531 0.000 1.131 195 M CA 0.446 55.670 55.300 -0.126 0.000 1.046 195 M CB 0.148 32.686 32.600 -0.103 0.000 1.532 195 M HN -0.174 nan 8.290 nan 0.000 0.497 196 S N 0.987 116.538 115.700 -0.248 0.000 2.389 196 S HA 0.447 4.921 4.470 0.008 0.000 0.201 196 S C -1.011 173.629 174.600 0.066 0.000 1.422 196 S CA -0.554 57.508 58.200 -0.231 0.000 1.216 196 S CB 0.507 63.616 63.200 -0.151 0.000 1.130 196 S HN -0.002 nan 8.310 nan 0.000 0.465 197 V N 4.181 124.307 119.914 0.352 0.000 2.409 197 V HA 0.543 4.667 4.120 0.008 0.000 0.291 197 V C 0.024 176.321 176.094 0.339 0.000 1.020 197 V CA -0.489 62.011 62.300 0.333 0.000 0.848 197 V CB 1.849 33.877 31.823 0.342 0.000 0.990 197 V HN 0.742 nan 8.190 nan 0.000 0.430 198 T N 6.568 121.265 114.554 0.238 0.000 2.770 198 T HA 0.592 4.947 4.350 0.008 0.000 0.283 198 T C -0.213 174.645 174.700 0.264 0.000 0.988 198 T CA -0.331 61.911 62.100 0.238 0.000 0.957 198 T CB 0.847 69.798 68.868 0.138 0.000 0.930 198 T HN 0.342 nan 8.240 nan 0.000 0.443 199 L N 4.743 126.097 121.223 0.218 0.000 2.350 199 L HA 0.688 5.033 4.340 0.008 0.000 0.275 199 L C -0.427 176.674 176.870 0.385 0.000 1.099 199 L CA -0.830 54.111 54.840 0.168 0.000 0.808 199 L CB 0.431 42.379 42.059 -0.185 0.000 1.149 199 L HN 0.635 nan 8.230 nan 0.000 0.442 200 F N 0.334 120.366 119.950 0.136 0.000 2.601 200 F HA 0.933 5.465 4.527 0.007 0.000 0.309 200 F C -0.383 175.434 175.800 0.027 0.000 1.089 200 F CA -1.376 56.756 58.000 0.220 0.000 0.940 200 F CB 1.546 40.817 39.000 0.450 0.000 1.273 200 F HN 0.451 nan 8.300 nan 0.000 0.450 201 G N 1.404 110.098 108.800 -0.176 0.000 2.698 201 G HA2 0.498 4.463 3.960 0.008 0.000 0.293 201 G HA3 0.498 4.463 3.960 0.008 0.000 0.293 201 G C -2.506 172.199 174.900 -0.325 0.000 1.437 201 G CA -0.792 43.821 45.100 -0.812 0.000 0.852 201 G HN 0.852 nan 8.290 nan 0.000 0.499 202 E N 0.201 120.151 120.200 -0.416 0.000 2.212 202 E HA 0.626 4.981 4.350 0.008 0.000 0.268 202 E C 0.792 177.320 176.600 -0.119 0.000 0.902 202 E CA 0.561 56.939 56.400 -0.038 0.000 0.779 202 E CB 1.980 31.805 29.700 0.209 0.000 1.172 202 E HN 1.693 nan 8.360 nan 0.000 0.409 203 A N 3.618 126.436 122.820 -0.003 0.000 5.218 203 A HA -0.389 3.935 4.320 0.008 0.000 0.318 203 A C 1.636 179.278 177.584 0.096 0.000 1.887 203 A CA 2.187 54.272 52.037 0.080 0.000 0.712 203 A CB -2.170 16.771 19.000 -0.097 0.000 1.343 203 A HN 1.215 nan 8.150 nan 0.000 0.377 204 A N -1.087 121.632 122.820 -0.167 0.000 2.024 204 A HA 0.231 4.556 4.320 0.008 0.000 0.220 204 A C 2.791 180.083 177.584 -0.488 0.000 1.164 204 A CA 2.424 54.160 52.037 -0.501 0.000 0.643 204 A CB -1.458 16.802 19.000 -1.233 0.000 0.806 204 A HN 2.349 nan 8.150 nan 0.000 0.451 205 G N -0.544 108.029 108.800 -0.379 0.000 2.402 205 G HA2 0.040 4.005 3.960 0.008 0.000 0.216 205 G HA3 0.040 4.005 3.960 0.008 0.000 0.216 205 G C 1.744 176.464 174.900 -0.299 0.000 1.162 205 G CA 1.258 46.097 45.100 -0.435 0.000 0.777 205 G HN 0.757 nan 8.290 nan 0.000 0.539 206 A N 1.265 123.983 122.820 -0.170 0.000 1.902 206 A HA 0.256 4.581 4.320 0.008 0.000 0.217 206 A C 2.820 180.392 177.584 -0.019 0.000 1.181 206 A CA 2.244 54.252 52.037 -0.048 0.000 0.623 206 A CB -0.826 18.204 19.000 0.050 0.000 0.818 206 A HN 0.795 nan 8.150 nan 0.000 0.443 207 A N -0.474 122.359 122.820 0.022 0.000 1.940 207 A HA -0.104 4.220 4.320 0.008 0.000 0.219 207 A C 2.445 180.044 177.584 0.024 0.000 1.176 207 A CA 2.183 54.233 52.037 0.021 0.000 0.631 207 A CB -0.862 18.195 19.000 0.096 0.000 0.814 207 A HN 0.463 nan 8.150 nan 0.000 0.446 208 S N -0.499 115.204 115.700 0.005 0.000 2.356 208 S HA -0.126 4.348 4.470 0.008 0.000 0.223 208 S C 1.909 176.480 174.600 -0.048 0.000 1.032 208 S CA 1.361 59.528 58.200 -0.055 0.000 1.005 208 S CB -0.529 62.574 63.200 -0.162 0.000 0.867 208 S HN 0.353 nan 8.310 nan 0.000 0.449 209 V N 1.779 121.674 119.914 -0.033 0.000 2.282 209 V HA -0.203 3.922 4.120 0.008 0.000 0.249 209 V C 2.615 178.714 176.094 0.007 0.000 1.057 209 V CA 2.067 64.357 62.300 -0.016 0.000 1.032 209 V CB -1.501 30.288 31.823 -0.056 0.000 0.645 209 V HN 0.603 nan 8.190 nan 0.000 0.447 210 G N -1.117 107.680 108.800 -0.006 0.000 2.422 210 G HA2 -0.259 3.706 3.960 0.008 0.000 0.218 210 G HA3 -0.259 3.706 3.960 0.008 0.000 0.218 210 G C 1.614 176.529 174.900 0.024 0.000 1.146 210 G CA 0.975 46.076 45.100 0.001 0.000 0.769 210 G HN 0.448 nan 8.290 nan 0.000 0.547 211 M N -0.027 119.566 119.600 -0.012 0.000 2.229 211 M HA 0.015 4.500 4.480 0.008 0.000 0.264 211 M C 2.275 178.625 176.300 0.082 0.000 1.063 211 M CA 0.852 56.170 55.300 0.030 0.000 1.114 211 M CB -0.203 32.392 32.600 -0.008 0.000 1.387 211 M HN 0.210 nan 8.290 nan 0.000 0.420 212 H N -0.127 119.049 119.070 0.177 0.000 2.389 212 H HA -0.028 4.533 4.556 0.008 0.000 0.299 212 H C 2.130 177.630 175.328 0.287 0.000 1.081 212 H CA 1.484 57.635 56.048 0.172 0.000 1.345 212 H CB -0.368 29.372 29.762 -0.037 0.000 1.393 212 H HN 0.419 nan 8.280 nan 0.000 0.520 213 I N 0.694 121.496 120.570 0.388 0.000 2.286 213 I HA -0.246 3.929 4.170 0.008 0.000 0.248 213 I C 1.946 178.228 176.117 0.276 0.000 1.115 213 I CA 1.134 62.678 61.300 0.406 0.000 1.392 213 I CB -0.136 38.026 38.000 0.270 0.000 1.065 213 I HN 0.114 nan 8.210 nan 0.000 0.418 214 L N -0.828 120.509 121.223 0.190 0.000 2.592 214 L HA 0.101 4.445 4.340 0.008 0.000 0.227 214 L C 0.963 177.868 176.870 0.059 0.000 1.127 214 L CA 0.027 54.956 54.840 0.149 0.000 0.884 214 L CB 0.023 42.153 42.059 0.118 0.000 1.065 214 L HN 0.021 nan 8.230 nan 0.000 0.457 215 S N -0.238 115.463 115.700 0.002 0.000 2.438 215 S HA 0.347 4.822 4.470 0.008 0.000 0.316 215 S C 1.014 175.538 174.600 -0.125 0.000 1.084 215 S CA -0.585 57.494 58.200 -0.202 0.000 1.107 215 S CB 1.210 63.984 63.200 -0.711 0.000 0.981 215 S HN 0.159 nan 8.310 nan 0.000 0.466 216 L N 5.769 126.923 121.223 -0.116 0.000 1.990 216 L HA -0.059 4.285 4.340 0.008 0.000 0.213 216 L C -0.753 176.076 176.870 -0.069 0.000 1.072 216 L CA 1.609 56.404 54.840 -0.075 0.000 0.755 216 L CB -1.060 40.956 42.059 -0.071 0.000 0.889 216 L HN 0.521 nan 8.230 nan 0.000 0.432 217 P HA -0.108 nan 4.420 nan 0.000 0.219 217 P C 1.529 178.828 177.300 -0.001 0.000 1.146 217 P CA 1.166 64.232 63.100 -0.056 0.000 0.808 217 P CB 0.089 31.746 31.700 -0.072 0.000 0.779 218 S N -1.021 114.698 115.700 0.032 0.000 2.461 218 S HA -0.003 4.472 4.470 0.008 0.000 0.228 218 S C 1.829 176.577 174.600 0.246 0.000 1.005 218 S CA 0.570 58.891 58.200 0.202 0.000 0.942 218 S CB -0.357 63.091 63.200 0.413 0.000 0.776 218 S HN 0.080 nan 8.310 nan 0.000 0.514 219 R N 1.787 122.332 120.500 0.075 0.000 2.189 219 R HA 0.063 4.408 4.340 0.008 0.000 0.218 219 R C 2.237 178.349 176.300 -0.313 0.000 1.074 219 R CA 1.069 57.063 56.100 -0.178 0.000 0.991 219 R CB -0.925 29.294 30.300 -0.134 0.000 0.883 219 R HN 0.552 nan 8.270 nan 0.000 0.457 220 S N -0.056 115.554 115.700 -0.150 0.000 2.603 220 S HA 0.038 4.513 4.470 0.008 0.000 0.229 220 S C 1.656 176.172 174.600 -0.139 0.000 0.972 220 S CA 0.406 58.517 58.200 -0.148 0.000 0.935 220 S CB -0.161 62.998 63.200 -0.068 0.000 0.769 220 S HN 0.218 nan 8.310 nan 0.000 0.536 221 L N 0.436 121.621 121.223 -0.063 0.000 2.693 221 L HA 0.495 4.840 4.340 0.008 0.000 0.235 221 L C -0.032 176.909 176.870 0.118 0.000 1.127 221 L CA -0.417 54.452 54.840 0.048 0.000 0.914 221 L CB -0.053 42.076 42.059 0.116 0.000 1.193 221 L HN 0.494 nan 8.230 nan 0.000 0.502 222 F N -4.228 115.550 119.950 -0.288 0.000 2.773 222 F HA 0.433 4.964 4.527 0.007 0.000 0.314 222 F C 0.138 175.600 175.800 -0.564 0.000 1.160 222 F CA -1.111 56.696 58.000 -0.321 0.000 0.920 222 F CB 0.849 39.801 39.000 -0.079 0.000 1.323 222 F HN -0.141 nan 8.300 nan 0.000 0.457 223 H N -1.041 118.058 119.070 0.048 0.000 2.927 223 H HA 0.542 5.103 4.556 0.007 0.000 0.255 223 H C -0.253 175.084 175.328 0.014 0.000 0.974 223 H CA -0.106 55.900 56.048 -0.071 0.000 1.199 223 H CB 0.706 30.446 29.762 -0.036 0.000 1.447 223 H HN 0.402 nan 8.280 nan 0.000 0.467 224 R N -0.032 120.654 120.500 0.311 0.000 2.710 224 R HA 0.770 5.114 4.340 0.008 0.000 0.270 224 R C -1.667 174.898 176.300 0.441 0.000 1.021 224 R CA -0.791 55.466 56.100 0.262 0.000 0.889 224 R CB 2.579 32.846 30.300 -0.055 0.000 1.243 224 R HN 0.155 nan 8.270 nan 0.000 0.464 225 A N 1.251 124.352 122.820 0.469 0.000 2.520 225 A HA 0.672 4.996 4.320 0.008 0.000 0.298 225 A C -1.437 176.325 177.584 0.298 0.000 1.051 225 A CA -0.599 51.651 52.037 0.355 0.000 0.690 225 A CB 1.890 21.055 19.000 0.276 0.000 1.281 225 A HN 0.288 nan 8.150 nan 0.000 0.402 226 V N 2.145 122.193 119.914 0.223 0.000 2.448 226 V HA 0.529 4.654 4.120 0.008 0.000 0.295 226 V C -1.075 175.130 176.094 0.184 0.000 1.025 226 V CA -0.350 62.021 62.300 0.119 0.000 0.859 226 V CB 1.184 33.098 31.823 0.152 0.000 0.988 226 V HN 0.672 nan 8.190 nan 0.000 0.431 227 L N 5.213 126.514 121.223 0.130 0.000 2.318 227 L HA 0.518 4.863 4.340 0.008 0.000 0.277 227 L C -0.005 176.980 176.870 0.192 0.000 1.008 227 L CA 0.016 54.929 54.840 0.123 0.000 0.846 227 L CB 1.467 43.552 42.059 0.042 0.000 1.220 227 L HN 0.623 nan 8.230 nan 0.000 0.423 228 Q N 1.820 121.787 119.800 0.279 0.000 2.340 228 Q HA 0.436 4.781 4.340 0.008 0.000 0.259 228 Q C 0.271 176.419 176.000 0.247 0.000 0.964 228 Q CA -0.517 55.513 55.803 0.377 0.000 0.900 228 Q CB 1.324 30.369 28.738 0.512 0.000 1.228 228 Q HN 0.626 nan 8.270 nan 0.000 0.449 229 S N 1.020 116.854 115.700 0.224 0.000 3.581 229 S HA -0.180 4.294 4.470 0.008 0.000 0.354 229 S C 0.048 174.836 174.600 0.313 0.000 1.059 229 S CA 0.594 58.946 58.200 0.253 0.000 1.060 229 S CB -1.163 62.197 63.200 0.268 0.000 0.908 229 S HN 0.993 nan 8.310 nan 0.000 0.475 230 G N -0.647 108.296 108.800 0.238 0.000 2.519 230 G HA2 0.643 4.608 3.960 0.008 0.000 0.292 230 G HA3 0.643 4.608 3.960 0.008 0.000 0.292 230 G C -0.948 174.023 174.900 0.118 0.000 1.507 230 G CA 0.198 45.484 45.100 0.311 0.000 0.806 230 G HN 0.986 nan 8.290 nan 0.000 0.523 231 T N -1.647 112.917 114.554 0.017 0.000 2.853 231 T HA 0.740 5.095 4.350 0.008 0.000 0.311 231 T C -2.368 172.189 174.700 -0.238 0.000 1.307 231 T CA -1.186 60.848 62.100 -0.111 0.000 1.019 231 T CB 2.991 71.777 68.868 -0.138 0.000 1.264 231 T HN 0.316 nan 8.240 nan 0.000 0.497 232 P HA -0.009 nan 4.420 nan 0.000 0.220 232 P C 0.330 177.475 177.300 -0.258 0.000 1.152 232 P CA 0.622 63.600 63.100 -0.203 0.000 0.812 232 P CB -0.097 31.538 31.700 -0.109 0.000 0.792 233 N N 0.805 119.371 118.700 -0.224 0.000 2.317 233 N HA 0.262 5.006 4.740 0.008 0.000 0.245 233 N C 0.788 176.094 175.510 -0.340 0.000 1.294 233 N CA 0.779 53.695 53.050 -0.225 0.000 0.924 233 N CB 0.067 38.462 38.487 -0.153 0.000 1.186 233 N HN 0.227 nan 8.380 nan 0.000 0.495 234 G N -0.785 107.832 108.800 -0.305 0.000 2.525 234 G HA2 -0.118 3.847 3.960 0.008 0.000 0.685 234 G HA3 -0.118 3.847 3.960 0.008 0.000 0.685 234 G C -2.192 172.466 174.900 -0.403 0.000 1.290 234 G CA -0.213 44.655 45.100 -0.387 0.000 0.915 234 G HN 0.548 nan 8.290 nan 0.000 0.548 235 P HA 0.111 nan 4.420 nan 0.000 0.236 235 P C 1.380 178.609 177.300 -0.117 0.000 1.177 235 P CA 1.950 64.908 63.100 -0.238 0.000 0.773 235 P CB -0.035 31.485 31.700 -0.299 0.000 0.878 236 W N -1.649 119.561 121.300 -0.150 0.000 2.873 236 W HA 0.548 5.212 4.660 0.006 0.000 0.282 236 W C 1.149 177.742 176.519 0.125 0.000 1.118 236 W CA 0.441 57.782 57.345 -0.006 0.000 1.480 236 W CB -0.743 28.756 29.460 0.065 0.000 0.954 236 W HN -0.174 nan 8.180 nan 0.000 0.591 237 A N 2.000 124.509 122.820 -0.519 0.000 2.067 237 A HA 0.111 4.435 4.320 0.008 0.000 0.217 237 A C 1.167 178.611 177.584 -0.233 0.000 1.156 237 A CA 1.898 53.699 52.037 -0.394 0.000 0.683 237 A CB -0.824 17.701 19.000 -0.793 0.000 0.808 237 A HN 0.252 nan 8.150 nan 0.000 0.455 238 T N -3.207 111.220 114.554 -0.212 0.000 2.883 238 T HA 0.609 4.964 4.350 0.008 0.000 0.296 238 T C -0.628 174.000 174.700 -0.121 0.000 1.117 238 T CA -0.126 61.862 62.100 -0.188 0.000 1.006 238 T CB 1.433 70.197 68.868 -0.174 0.000 1.191 238 T HN 0.909 nan 8.240 nan 0.000 0.508 239 V N -0.997 118.852 119.914 -0.108 0.000 3.001 239 V HA 0.911 5.036 4.120 0.008 0.000 0.314 239 V C 0.337 176.391 176.094 -0.066 0.000 1.099 239 V CA -0.794 61.458 62.300 -0.080 0.000 0.989 239 V CB 1.357 33.131 31.823 -0.081 0.000 1.040 239 V HN 1.377 nan 8.190 nan 0.000 0.434 240 S N 1.949 117.616 115.700 -0.055 0.000 2.608 240 S HA 0.567 5.041 4.470 0.008 0.000 0.261 240 S C 1.401 175.981 174.600 -0.034 0.000 1.314 240 S CA 0.107 58.282 58.200 -0.041 0.000 0.992 240 S CB 1.097 64.275 63.200 -0.037 0.000 0.935 240 S HN 1.926 nan 8.310 nan 0.000 0.564 241 A N 1.580 124.386 122.820 -0.024 0.000 1.902 241 A HA 0.131 4.456 4.320 0.008 0.000 0.217 241 A C 2.239 179.811 177.584 -0.020 0.000 1.181 241 A CA 1.670 53.696 52.037 -0.017 0.000 0.623 241 A CB -1.863 17.131 19.000 -0.011 0.000 0.818 241 A HN 1.158 nan 8.150 nan 0.000 0.443 242 G N -0.519 108.267 108.800 -0.023 0.000 2.422 242 G HA2 -0.245 3.720 3.960 0.008 0.000 0.218 242 G HA3 -0.245 3.720 3.960 0.008 0.000 0.218 242 G C 1.477 176.359 174.900 -0.030 0.000 1.146 242 G CA 1.426 46.511 45.100 -0.024 0.000 0.769 242 G HN 0.589 nan 8.290 nan 0.000 0.547 243 E N 0.849 121.026 120.200 -0.038 0.000 2.107 243 E HA 0.157 4.512 4.350 0.008 0.000 0.191 243 E C 2.655 179.219 176.600 -0.061 0.000 0.982 243 E CA 1.241 57.610 56.400 -0.051 0.000 0.809 243 E CB -0.512 29.153 29.700 -0.059 0.000 0.756 243 E HN 0.249 nan 8.360 nan 0.000 0.459 244 A N 1.030 123.821 122.820 -0.048 0.000 1.908 244 A HA -0.220 4.105 4.320 0.008 0.000 0.218 244 A C 2.296 179.874 177.584 -0.009 0.000 1.181 244 A CA 1.857 53.877 52.037 -0.029 0.000 0.627 244 A CB -0.639 18.360 19.000 -0.001 0.000 0.818 244 A HN 0.274 nan 8.150 nan 0.000 0.445 245 R N -0.622 119.869 120.500 -0.016 0.000 2.073 245 R HA -0.136 4.209 4.340 0.008 0.000 0.234 245 R C 2.478 178.768 176.300 -0.016 0.000 1.134 245 R CA 1.658 57.748 56.100 -0.016 0.000 0.952 245 R CB -0.314 29.975 30.300 -0.019 0.000 0.850 245 R HN 0.539 nan 8.270 nan 0.000 0.433 246 R N 0.308 120.793 120.500 -0.025 0.000 2.081 246 R HA -0.128 4.217 4.340 0.008 0.000 0.235 246 R C 2.235 178.521 176.300 -0.024 0.000 1.131 246 R CA 1.713 57.798 56.100 -0.025 0.000 0.960 246 R CB -0.059 30.222 30.300 -0.032 0.000 0.856 246 R HN 0.263 nan 8.270 nan 0.000 0.436 247 R N -0.271 120.201 120.500 -0.046 0.000 2.075 247 R HA -0.037 4.308 4.340 0.008 0.000 0.232 247 R C 2.365 178.714 176.300 0.083 0.000 1.126 247 R CA 1.208 57.268 56.100 -0.066 0.000 0.963 247 R CB -0.332 29.800 30.300 -0.279 0.000 0.858 247 R HN 0.232 nan 8.270 nan 0.000 0.435 248 A N 0.642 123.535 122.820 0.121 0.000 1.908 248 A HA -0.156 4.169 4.320 0.008 0.000 0.218 248 A C 2.148 179.744 177.584 0.020 0.000 1.181 248 A CA 1.966 54.072 52.037 0.114 0.000 0.627 248 A CB -0.732 18.279 19.000 0.018 0.000 0.818 248 A HN 0.275 nan 8.150 nan 0.000 0.445 249 T N -0.161 114.395 114.554 0.003 0.000 2.812 249 T HA -0.063 4.291 4.350 0.008 0.000 0.264 249 T C 1.830 176.527 174.700 -0.005 0.000 1.042 249 T CA 1.288 63.379 62.100 -0.015 0.000 1.140 249 T CB -0.311 68.546 68.868 -0.018 0.000 0.870 249 T HN 0.294 nan 8.240 nan 0.000 0.445 250 L N 1.276 122.506 121.223 0.011 0.000 2.017 250 L HA 0.079 4.424 4.340 0.008 0.000 0.208 250 L C 2.207 179.097 176.870 0.032 0.000 1.073 250 L CA 1.481 56.333 54.840 0.019 0.000 0.745 250 L CB -0.998 41.075 42.059 0.024 0.000 0.894 250 L HN 0.182 nan 8.230 nan 0.000 0.432 251 L N -0.179 121.088 121.223 0.072 0.000 2.012 251 L HA -0.187 4.157 4.340 0.008 0.000 0.210 251 L C 2.551 179.414 176.870 -0.011 0.000 1.073 251 L CA 2.135 57.021 54.840 0.076 0.000 0.748 251 L CB -0.875 41.270 42.059 0.144 0.000 0.891 251 L HN 0.328 nan 8.230 nan 0.000 0.431 252 A N -0.331 122.471 122.820 -0.031 0.000 1.884 252 A HA -0.300 4.024 4.320 0.008 0.000 0.219 252 A C 2.397 179.950 177.584 -0.053 0.000 1.197 252 A CA 2.253 54.259 52.037 -0.053 0.000 0.637 252 A CB -0.719 18.246 19.000 -0.058 0.000 0.827 252 A HN 0.527 nan 8.150 nan 0.000 0.450 253 R N -0.752 119.723 120.500 -0.041 0.000 2.094 253 R HA -0.131 4.214 4.340 0.008 0.000 0.239 253 R C 2.117 178.371 176.300 -0.077 0.000 1.137 253 R CA 1.713 57.786 56.100 -0.045 0.000 0.943 253 R CB -0.663 29.620 30.300 -0.028 0.000 0.850 253 R HN 0.559 nan 8.270 nan 0.000 0.433 254 L N 0.791 121.958 121.223 -0.093 0.000 2.187 254 L HA -0.122 4.222 4.340 0.008 0.000 0.213 254 L C 2.065 178.700 176.870 -0.392 0.000 1.100 254 L CA 0.847 55.572 54.840 -0.191 0.000 0.765 254 L CB -0.272 41.716 42.059 -0.120 0.000 0.904 254 L HN 0.193 nan 8.230 nan 0.000 0.437 255 V N -4.072 115.677 119.914 -0.276 0.000 3.483 255 V HA 0.506 4.631 4.120 0.008 0.000 0.301 255 V C 0.978 177.009 176.094 -0.105 0.000 1.389 255 V CA 0.185 62.346 62.300 -0.232 0.000 1.101 255 V CB -0.151 31.595 31.823 -0.128 0.000 0.971 255 V HN 0.405 nan 8.190 nan 0.000 0.434 256 G N -0.328 108.420 108.800 -0.088 0.000 2.356 256 G HA2 -0.173 3.792 3.960 0.008 0.000 0.233 256 G HA3 -0.173 3.792 3.960 0.008 0.000 0.233 256 G C -0.269 174.612 174.900 -0.032 0.000 1.105 256 G CA -0.158 44.914 45.100 -0.048 0.000 0.861 256 G HN 0.769 nan 8.290 nan 0.000 0.493 257 c N 0.053 118.631 118.600 -0.036 0.000 2.571 257 c HA 0.984 5.559 4.570 0.008 0.000 0.343 257 c C -0.974 173.099 174.090 -0.028 0.000 1.082 257 c CA 0.585 56.898 56.329 -0.027 0.000 1.339 257 c CB 1.130 43.624 42.510 -0.027 0.000 1.893 257 c HN 1.049 nan 8.230 nan 0.000 0.445 266 D N 1.455 121.845 120.400 -0.018 0.000 2.123 266 D HA -0.058 4.587 4.640 0.008 0.000 0.200 266 D C 1.511 177.798 176.300 -0.022 0.000 0.976 266 D CA 1.597 55.581 54.000 -0.027 0.000 0.831 266 D CB 0.004 40.788 40.800 -0.027 0.000 0.974 266 D HN 0.561 nan 8.370 nan 0.000 0.469 267 T N 0.892 115.440 114.554 -0.010 0.000 2.624 267 T HA -0.245 4.110 4.350 0.008 0.000 0.268 267 T C 1.798 176.498 174.700 0.001 0.000 1.041 267 T CA 1.837 63.937 62.100 -0.000 0.000 1.159 267 T CB -0.299 68.572 68.868 0.004 0.000 0.863 267 T HN 0.347 nan 8.240 nan 0.000 0.434 268 E N 0.535 120.734 120.200 -0.003 0.000 2.077 268 E HA -0.109 4.246 4.350 0.008 0.000 0.193 268 E C 2.276 178.872 176.600 -0.006 0.000 0.989 268 E CA 0.877 57.276 56.400 -0.001 0.000 0.800 268 E CB -0.295 29.403 29.700 -0.003 0.000 0.746 268 E HN 0.497 nan 8.360 nan 0.000 0.452 269 L N 0.445 121.657 121.223 -0.018 0.000 2.046 269 L HA -0.130 4.214 4.340 0.008 0.000 0.208 269 L C 2.309 179.157 176.870 -0.036 0.000 1.077 269 L CA 1.252 56.073 54.840 -0.031 0.000 0.747 269 L CB -0.119 41.912 42.059 -0.047 0.000 0.896 269 L HN 0.236 nan 8.230 nan 0.000 0.432 270 I N -0.208 120.339 120.570 -0.038 0.000 2.353 270 I HA -0.207 3.968 4.170 0.008 0.000 0.248 270 I C 2.717 178.873 176.117 0.065 0.000 1.119 270 I CA 0.955 62.238 61.300 -0.028 0.000 1.417 270 I CB -0.524 37.457 38.000 -0.032 0.000 1.078 270 I HN 0.302 nan 8.210 nan 0.000 0.421 271 A N -0.222 122.626 122.820 0.046 0.000 1.902 271 A HA -0.295 4.030 4.320 0.008 0.000 0.217 271 A C 2.520 180.135 177.584 0.051 0.000 1.181 271 A CA 1.995 54.064 52.037 0.053 0.000 0.623 271 A CB -1.336 17.683 19.000 0.031 0.000 0.818 271 A HN 0.621 nan 8.150 nan 0.000 0.443 272 c N -0.693 117.927 118.600 0.033 0.000 2.457 272 c HA 0.066 4.641 4.570 0.008 0.000 0.278 272 c C 2.568 176.686 174.090 0.045 0.000 1.309 272 c CA 0.946 57.291 56.329 0.028 0.000 1.735 272 c CB -1.557 40.959 42.510 0.009 0.000 1.992 272 c HN 0.583 nan 8.230 nan 0.000 0.493 273 L N 0.409 121.669 121.223 0.061 0.000 2.079 273 L HA -0.127 4.218 4.340 0.008 0.000 0.210 273 L C 2.961 179.946 176.870 0.193 0.000 1.081 273 L CA 1.531 56.441 54.840 0.118 0.000 0.752 273 L CB -0.616 41.507 42.059 0.106 0.000 0.896 273 L HN 0.356 nan 8.230 nan 0.000 0.433 274 R N -0.664 119.954 120.500 0.197 0.000 2.237 274 R HA -0.108 4.237 4.340 0.008 0.000 0.219 274 R C 2.144 178.473 176.300 0.047 0.000 1.080 274 R CA 1.578 57.747 56.100 0.115 0.000 0.995 274 R CB -0.300 30.059 30.300 0.099 0.000 0.875 274 R HN 0.505 nan 8.270 nan 0.000 0.462 275 T N -1.569 113.014 114.554 0.048 0.000 3.088 275 T HA 0.090 4.444 4.350 0.008 0.000 0.259 275 T C 0.843 175.557 174.700 0.024 0.000 1.122 275 T CA -0.085 62.031 62.100 0.027 0.000 1.095 275 T CB 0.156 69.038 68.868 0.024 0.000 0.930 275 T HN -0.144 nan 8.240 nan 0.000 0.508 276 R N 2.675 123.196 120.500 0.035 0.000 2.441 276 R HA 0.437 4.782 4.340 0.008 0.000 0.284 276 R C -2.730 173.583 176.300 0.022 0.000 1.070 276 R CA -2.987 53.133 56.100 0.032 0.000 1.047 276 R CB -0.455 29.869 30.300 0.041 0.000 1.016 276 R HN 0.245 nan 8.270 nan 0.000 0.477 277 P HA 0.017 nan 4.420 nan 0.000 0.266 277 P C 0.260 177.542 177.300 -0.031 0.000 1.195 277 P CA 0.159 63.251 63.100 -0.014 0.000 0.768 277 P CB 0.569 32.272 31.700 0.005 0.000 0.838 278 A N 2.730 125.465 122.820 -0.142 0.000 1.948 278 A HA -0.277 4.048 4.320 0.008 0.000 0.220 278 A C 2.145 179.618 177.584 -0.184 0.000 1.177 278 A CA 1.875 53.797 52.037 -0.192 0.000 0.636 278 A CB -1.099 17.395 19.000 -0.842 0.000 0.815 278 A HN 0.540 nan 8.150 nan 0.000 0.449 279 Q N 0.014 119.694 119.800 -0.200 0.000 2.167 279 Q HA -0.139 4.205 4.340 0.008 0.000 0.202 279 Q C 1.250 177.334 176.000 0.139 0.000 0.970 279 Q CA 1.880 57.727 55.803 0.073 0.000 0.855 279 Q CB -0.317 28.514 28.738 0.154 0.000 0.911 279 Q HN 0.627 nan 8.270 nan 0.000 0.438 280 D N -0.465 120.005 120.400 0.116 0.000 2.117 280 D HA -0.134 4.510 4.640 0.008 0.000 0.197 280 D C 1.722 178.168 176.300 0.242 0.000 0.987 280 D CA 1.008 55.123 54.000 0.191 0.000 0.829 280 D CB -0.124 40.770 40.800 0.157 0.000 0.961 280 D HN 0.293 nan 8.370 nan 0.000 0.460 281 L N 0.096 121.399 121.223 0.133 0.000 2.017 281 L HA -0.142 4.203 4.340 0.008 0.000 0.208 281 L C 2.489 179.414 176.870 0.092 0.000 1.073 281 L CA 0.720 55.589 54.840 0.049 0.000 0.745 281 L CB -0.614 41.344 42.059 -0.169 0.000 0.894 281 L HN -0.024 nan 8.230 nan 0.000 0.432 282 V N -0.041 119.986 119.914 0.188 0.000 2.343 282 V HA -0.288 3.836 4.120 0.008 0.000 0.247 282 V C 2.031 178.267 176.094 0.237 0.000 1.051 282 V CA 1.933 64.401 62.300 0.279 0.000 1.036 282 V CB -0.591 31.508 31.823 0.459 0.000 0.654 282 V HN 0.423 nan 8.190 nan 0.000 0.451 283 D N -0.886 119.623 120.400 0.181 0.000 2.265 283 D HA -0.139 4.506 4.640 0.008 0.000 0.208 283 D C 1.754 177.967 176.300 -0.145 0.000 0.977 283 D CA 1.336 55.364 54.000 0.047 0.000 0.871 283 D CB -0.217 40.564 40.800 -0.032 0.000 0.925 283 D HN 0.644 nan 8.370 nan 0.000 0.485 284 H N -1.036 118.124 119.070 0.150 0.000 2.755 284 H HA 0.166 4.727 4.556 0.008 0.000 0.273 284 H C 1.547 176.895 175.328 0.033 0.000 1.055 284 H CA -0.028 56.133 56.048 0.190 0.000 1.191 284 H CB 0.575 30.473 29.762 0.227 0.000 1.536 284 H HN 0.093 nan 8.280 nan 0.000 0.529 285 E N 0.576 120.778 120.200 0.003 0.000 2.130 285 E HA -0.215 4.139 4.350 0.008 0.000 0.196 285 E C 0.501 176.811 176.600 -0.484 0.000 0.998 285 E CA 1.296 57.582 56.400 -0.189 0.000 0.806 285 E CB -0.022 29.464 29.700 -0.356 0.000 0.738 285 E HN 0.603 nan 8.360 nan 0.000 0.459 286 W N -0.283 120.937 121.300 -0.133 0.000 3.345 286 W HA 0.092 4.757 4.660 0.008 0.000 0.282 286 W C 1.181 177.597 176.519 -0.171 0.000 1.302 286 W CA -0.350 56.870 57.345 -0.208 0.000 1.724 286 W CB 0.427 29.712 29.460 -0.293 0.000 1.104 286 W HN 0.162 nan 8.180 nan 0.000 0.694 287 H N -0.357 118.816 119.070 0.171 0.000 2.529 287 H HA 0.102 4.663 4.556 0.008 0.000 0.277 287 H C 1.837 177.213 175.328 0.079 0.000 1.004 287 H CA 0.702 56.836 56.048 0.143 0.000 1.167 287 H CB -0.196 29.669 29.762 0.172 0.000 1.445 287 H HN 0.249 nan 8.280 nan 0.000 0.554 288 V N -2.413 117.567 119.914 0.110 0.000 3.528 288 V HA 0.252 4.376 4.120 0.008 0.000 0.294 288 V C 0.778 176.845 176.094 -0.045 0.000 1.404 288 V CA -0.159 62.152 62.300 0.019 0.000 1.065 288 V CB -0.063 31.738 31.823 -0.038 0.000 0.904 288 V HN -0.020 nan 8.190 nan 0.000 0.435 289 L N 2.598 123.810 121.223 -0.018 0.000 2.490 289 L HA 0.227 4.571 4.340 0.008 0.000 0.274 289 L C -0.359 176.510 176.870 -0.003 0.000 1.201 289 L CA -0.907 53.920 54.840 -0.022 0.000 0.869 289 L CB 0.794 42.871 42.059 0.030 0.000 1.123 289 L HN 0.156 nan 8.230 nan 0.000 0.484 290 P HA -0.092 nan 4.420 nan 0.000 0.221 290 P C -0.161 177.140 177.300 0.003 0.000 1.150 290 P CA 1.107 64.201 63.100 -0.010 0.000 0.800 290 P CB 0.446 32.133 31.700 -0.021 0.000 0.787 291 Q N -1.217 118.586 119.800 0.005 0.000 2.495 291 Q HA 0.332 4.677 4.340 0.008 0.000 0.287 291 Q C -0.600 175.410 176.000 0.017 0.000 1.078 291 Q CA -0.758 55.050 55.803 0.010 0.000 0.793 291 Q CB 1.493 30.232 28.738 0.002 0.000 1.459 291 Q HN -0.057 nan 8.270 nan 0.000 0.422 292 E N 1.064 121.276 120.200 0.019 0.000 2.415 292 E HA 0.272 4.626 4.350 0.008 0.000 0.260 292 E C -1.071 175.531 176.600 0.003 0.000 1.016 292 E CA 0.076 56.487 56.400 0.019 0.000 0.924 292 E CB 0.284 29.997 29.700 0.022 0.000 0.961 292 E HN 0.570 nan 8.360 nan 0.000 0.459 293 S N 3.879 119.574 115.700 -0.008 0.000 2.570 293 S HA 0.646 5.121 4.470 0.008 0.000 0.270 293 S C -0.479 174.088 174.600 -0.055 0.000 1.149 293 S CA -1.054 57.128 58.200 -0.031 0.000 0.837 293 S CB 0.914 64.090 63.200 -0.041 0.000 1.124 293 S HN 0.537 nan 8.310 nan 0.000 0.465 294 I N -2.394 118.138 120.570 -0.063 0.000 2.892 294 I HA 0.802 4.977 4.170 0.008 0.000 0.306 294 I C -0.247 175.781 176.117 -0.150 0.000 1.078 294 I CA -1.177 60.078 61.300 -0.075 0.000 1.032 294 I CB 1.237 39.252 38.000 0.024 0.000 1.229 294 I HN 0.767 nan 8.210 nan 0.000 0.435 295 F N 1.894 121.539 119.950 -0.507 0.000 3.091 295 F HA -0.184 4.348 4.527 0.008 0.000 0.288 295 F C -0.369 174.839 175.800 -0.988 0.000 0.907 295 F CA 0.627 58.074 58.000 -0.921 0.000 1.028 295 F CB -0.657 37.730 39.000 -1.021 0.000 1.022 295 F HN 0.601 nan 8.300 nan 0.000 0.665 296 R N 0.411 120.393 120.500 -0.864 0.000 2.628 296 R HA 0.643 4.988 4.340 0.008 0.000 0.288 296 R C -1.007 174.817 176.300 -0.793 0.000 0.980 296 R CA -0.572 55.118 56.100 -0.683 0.000 0.891 296 R CB 1.354 31.515 30.300 -0.232 0.000 1.188 296 R HN -0.004 nan 8.270 nan 0.000 0.450 297 F N -0.723 119.371 119.950 0.240 0.000 2.551 297 F HA 0.358 4.889 4.527 0.007 0.000 0.316 297 F C 1.445 177.244 175.800 -0.001 0.000 1.089 297 F CA -0.809 57.345 58.000 0.256 0.000 0.915 297 F CB 1.924 41.156 39.000 0.386 0.000 1.186 297 F HN 0.352 nan 8.300 nan 0.000 0.456 298 S N 0.719 116.346 115.700 -0.123 0.000 2.357 298 S HA 0.024 4.499 4.470 0.008 0.000 0.221 298 S C -0.010 174.149 174.600 -0.735 0.000 1.031 298 S CA 1.055 58.943 58.200 -0.520 0.000 0.982 298 S CB -0.190 62.552 63.200 -0.763 0.000 0.853 298 S HN 0.363 nan 8.310 nan 0.000 0.458 299 F N 1.748 121.699 119.950 0.001 0.000 2.382 299 F HA 0.566 5.097 4.527 0.008 0.000 0.361 299 F C -0.022 175.792 175.800 0.023 0.000 1.109 299 F CA -0.967 57.070 58.000 0.062 0.000 1.031 299 F CB 1.284 40.347 39.000 0.105 0.000 1.234 299 F HN -0.099 nan 8.300 nan 0.000 0.445 300 V N 0.622 120.496 119.914 -0.066 0.000 3.158 300 V HA 0.765 4.890 4.120 0.008 0.000 0.311 300 V C -2.899 172.866 176.094 -0.549 0.000 1.181 300 V CA -3.393 58.545 62.300 -0.603 0.000 1.054 300 V CB 2.000 33.641 31.823 -0.304 0.000 1.085 300 V HN 0.256 nan 8.190 nan 0.000 0.446 301 P HA 0.116 nan 4.420 nan 0.000 0.263 301 P C -0.606 176.574 177.300 -0.201 0.000 1.175 301 P CA 0.533 63.394 63.100 -0.398 0.000 0.761 301 P CB 0.484 31.873 31.700 -0.519 0.000 0.794 302 V N 5.352 125.219 119.914 -0.079 0.000 2.532 302 V HA 0.188 4.313 4.120 0.008 0.000 0.295 302 V C -0.183 175.892 176.094 -0.031 0.000 1.041 302 V CA -0.792 61.480 62.300 -0.045 0.000 0.926 302 V CB 1.869 33.692 31.823 -0.001 0.000 0.992 302 V HN 0.146 nan 8.190 nan 0.000 0.457 303 V N 7.381 127.277 119.914 -0.030 0.000 2.341 303 V HA 0.166 4.291 4.120 0.008 0.000 0.248 303 V C 0.736 176.834 176.094 0.008 0.000 1.107 303 V CA 0.242 62.538 62.300 -0.008 0.000 1.069 303 V CB 0.096 31.907 31.823 -0.020 0.000 1.177 303 V HN 1.058 nan 8.190 nan 0.000 0.492 304 D N 2.623 123.041 120.400 0.031 0.000 2.379 304 D HA 0.129 4.773 4.640 0.008 0.000 0.208 304 D C 1.573 177.894 176.300 0.035 0.000 1.065 304 D CA 0.601 54.622 54.000 0.035 0.000 0.848 304 D CB 0.356 41.188 40.800 0.054 0.000 0.949 304 D HN 0.664 nan 8.370 nan 0.000 0.509 305 G N 0.770 109.592 108.800 0.036 0.000 2.166 305 G HA2 -0.341 3.624 3.960 0.008 0.000 0.260 305 G HA3 -0.341 3.624 3.960 0.008 0.000 0.260 305 G C 0.422 175.342 174.900 0.034 0.000 0.986 305 G CA 0.901 46.018 45.100 0.027 0.000 0.683 305 G HN 0.547 nan 8.290 nan 0.000 0.527 306 D N -1.593 118.843 120.400 0.061 0.000 3.074 306 D HA 0.224 4.868 4.640 0.008 0.000 0.227 306 D C 1.753 178.106 176.300 0.087 0.000 1.553 306 D CA 0.391 54.431 54.000 0.066 0.000 1.347 306 D CB -0.582 40.266 40.800 0.081 0.000 1.021 306 D HN 0.076 nan 8.370 nan 0.000 0.260 307 F N 1.155 121.110 119.950 0.008 0.000 2.069 307 F HA 0.167 4.699 4.527 0.007 0.000 0.298 307 F C 0.632 176.429 175.800 -0.005 0.000 1.113 307 F CA 1.208 59.211 58.000 0.006 0.000 1.214 307 F CB 0.099 39.099 39.000 0.001 0.000 0.978 307 F HN -0.016 nan 8.300 nan 0.000 0.474 308 L N 0.900 122.286 121.223 0.273 0.000 2.277 308 L HA 0.195 4.539 4.340 0.008 0.000 0.284 308 L C 1.340 178.249 176.870 0.065 0.000 1.028 308 L CA -0.193 54.733 54.840 0.143 0.000 0.835 308 L CB 1.232 43.364 42.059 0.121 0.000 1.215 308 L HN 0.089 nan 8.230 nan 0.000 0.425 309 S N 0.210 115.929 115.700 0.030 0.000 2.481 309 S HA 0.011 4.486 4.470 0.008 0.000 0.231 309 S C 0.441 175.048 174.600 0.011 0.000 0.996 309 S CA 0.352 58.559 58.200 0.013 0.000 0.942 309 S CB 0.144 63.342 63.200 -0.005 0.000 0.768 309 S HN 0.699 nan 8.310 nan 0.000 0.520 310 D N 0.279 120.687 120.400 0.013 0.000 2.692 310 D HA 0.293 4.938 4.640 0.008 0.000 0.303 310 D C -0.915 175.387 176.300 0.003 0.000 1.278 310 D CA -0.026 53.977 54.000 0.005 0.000 0.852 310 D CB 1.367 42.168 40.800 0.002 0.000 1.375 310 D HN 0.198 nan 8.370 nan 0.000 0.453 311 T N -0.746 113.802 114.554 -0.009 0.000 2.937 311 T HA 0.215 4.569 4.350 0.008 0.000 0.316 311 T C -1.805 172.885 174.700 -0.016 0.000 1.079 311 T CA -0.662 61.425 62.100 -0.022 0.000 1.131 311 T CB 0.924 69.773 68.868 -0.031 0.000 1.000 311 T HN 0.116 nan 8.240 nan 0.000 0.549 312 P HA -0.116 nan 4.420 nan 0.000 0.217 312 P C 1.469 178.757 177.300 -0.019 0.000 1.148 312 P CA 1.022 64.106 63.100 -0.026 0.000 0.828 312 P CB 0.079 31.737 31.700 -0.070 0.000 0.783 313 E N -0.221 119.958 120.200 -0.035 0.000 2.058 313 E HA -0.216 4.139 4.350 0.008 0.000 0.194 313 E C 1.889 178.490 176.600 0.002 0.000 0.997 313 E CA 1.400 57.785 56.400 -0.025 0.000 0.801 313 E CB -0.454 29.225 29.700 -0.036 0.000 0.746 313 E HN 0.096 nan 8.360 nan 0.000 0.450 314 A N 0.955 123.776 122.820 0.002 0.000 1.930 314 A HA -0.096 4.229 4.320 0.008 0.000 0.217 314 A C 2.218 179.822 177.584 0.034 0.000 1.175 314 A CA 0.913 52.957 52.037 0.012 0.000 0.627 314 A CB -0.527 18.475 19.000 0.002 0.000 0.815 314 A HN 0.288 nan 8.150 nan 0.000 0.443 315 L N 0.023 121.273 121.223 0.045 0.000 2.093 315 L HA -0.129 4.215 4.340 0.008 0.000 0.208 315 L C 2.557 179.537 176.870 0.182 0.000 1.085 315 L CA 1.477 56.369 54.840 0.086 0.000 0.755 315 L CB -0.618 41.492 42.059 0.084 0.000 0.904 315 L HN 0.672 nan 8.230 nan 0.000 0.435 316 I N -2.890 117.774 120.570 0.158 0.000 2.546 316 I HA -0.116 4.058 4.170 0.008 0.000 0.255 316 I C 1.820 178.063 176.117 0.210 0.000 1.163 316 I CA 1.210 62.639 61.300 0.214 0.000 1.457 316 I CB -0.372 37.650 38.000 0.036 0.000 1.092 316 I HN 0.171 nan 8.210 nan 0.000 0.434 317 N N 1.365 120.134 118.700 0.115 0.000 2.409 317 N HA -0.078 4.667 4.740 0.008 0.000 0.179 317 N C 1.705 177.258 175.510 0.071 0.000 1.032 317 N CA 1.893 54.992 53.050 0.083 0.000 0.898 317 N CB -0.142 38.371 38.487 0.043 0.000 0.971 317 N HN 0.687 nan 8.380 nan 0.000 0.441 318 T N -4.111 110.477 114.554 0.058 0.000 3.040 318 T HA 0.316 4.671 4.350 0.008 0.000 0.266 318 T C 0.936 175.591 174.700 -0.074 0.000 1.005 318 T CA -0.403 61.697 62.100 0.000 0.000 0.906 318 T CB 0.131 68.992 68.868 -0.011 0.000 1.082 318 T HN 0.022 nan 8.240 nan 0.000 0.531 319 G N 0.787 109.524 108.800 -0.105 0.000 2.569 319 G HA2 0.394 4.359 3.960 0.008 0.000 0.249 319 G HA3 0.394 4.359 3.960 0.008 0.000 0.249 319 G C -1.015 173.432 174.900 -0.756 0.000 1.216 319 G CA -0.350 44.419 45.100 -0.552 0.000 0.845 319 G HN 0.282 nan 8.290 nan 0.000 0.568 320 D N 0.628 120.554 120.400 -0.791 0.000 2.392 320 D HA 0.303 4.947 4.640 0.008 0.000 0.228 320 D C -0.556 175.360 176.300 -0.641 0.000 1.074 320 D CA -0.564 53.124 54.000 -0.520 0.000 0.838 320 D CB 0.778 41.419 40.800 -0.265 0.000 1.067 320 D HN 0.117 nan 8.370 nan 0.000 0.511 321 F N 2.155 122.109 119.950 0.006 0.000 2.855 321 F HA 0.225 4.757 4.527 0.008 0.000 0.317 321 F C 2.031 177.838 175.800 0.012 0.000 1.169 321 F CA -0.401 57.606 58.000 0.012 0.000 1.299 321 F CB 0.328 39.343 39.000 0.025 0.000 0.962 321 F HN 0.288 nan 8.300 nan 0.000 0.506 322 Q N 0.743 120.596 119.800 0.089 0.000 2.135 322 Q HA -0.198 4.147 4.340 0.008 0.000 0.204 322 Q C 1.567 177.605 176.000 0.063 0.000 0.981 322 Q CA 1.794 57.635 55.803 0.064 0.000 0.856 322 Q CB -0.154 28.595 28.738 0.019 0.000 0.902 322 Q HN 0.463 nan 8.270 nan 0.000 0.425 323 D N -0.253 120.178 120.400 0.052 0.000 2.363 323 D HA -0.053 4.592 4.640 0.008 0.000 0.226 323 D C 0.081 176.417 176.300 0.061 0.000 1.020 323 D CA 0.107 54.130 54.000 0.038 0.000 0.892 323 D CB -0.035 40.767 40.800 0.004 0.000 0.900 323 D HN 0.058 nan 8.370 nan 0.000 0.531 324 L N 0.692 121.982 121.223 0.113 0.000 2.309 324 L HA 0.377 4.722 4.340 0.008 0.000 0.282 324 L C -0.866 176.084 176.870 0.133 0.000 1.036 324 L CA -0.379 54.541 54.840 0.134 0.000 0.806 324 L CB 1.689 43.867 42.059 0.198 0.000 1.220 324 L HN -0.143 nan 8.230 nan 0.000 0.429 325 Q N 4.088 123.982 119.800 0.157 0.000 2.330 325 Q HA 0.743 5.088 4.340 0.008 0.000 0.269 325 Q C -1.509 174.738 176.000 0.413 0.000 1.022 325 Q CA -0.750 55.196 55.803 0.237 0.000 0.796 325 Q CB 2.699 31.530 28.738 0.157 0.000 1.271 325 Q HN 0.482 nan 8.270 nan 0.000 0.450 326 V N 2.235 122.376 119.914 0.377 0.000 2.841 326 V HA 0.508 4.633 4.120 0.008 0.000 0.310 326 V C -1.320 174.734 176.094 -0.068 0.000 1.090 326 V CA -0.965 61.474 62.300 0.231 0.000 0.930 326 V CB 2.035 33.901 31.823 0.071 0.000 1.014 326 V HN 0.582 nan 8.190 nan 0.000 0.425 327 L N 5.706 126.669 121.223 -0.434 0.000 2.333 327 L HA 0.931 5.275 4.340 0.008 0.000 0.280 327 L C -0.511 176.242 176.870 -0.194 0.000 1.004 327 L CA -0.333 54.169 54.840 -0.564 0.000 0.820 327 L CB 1.621 42.885 42.059 -1.325 0.000 1.247 327 L HN 0.722 nan 8.230 nan 0.000 0.416 328 V N 2.135 122.009 119.914 -0.067 0.000 3.007 328 V HA 1.130 5.254 4.120 0.008 0.000 0.311 328 V C -0.344 175.556 176.094 -0.323 0.000 1.120 328 V CA 0.309 62.558 62.300 -0.086 0.000 0.980 328 V CB 1.293 33.036 31.823 -0.132 0.000 1.033 328 V HN 1.190 nan 8.190 nan 0.000 0.429 329 G N 1.080 109.543 108.800 -0.562 0.000 2.430 329 G HA2 0.771 4.736 3.960 0.008 0.000 0.300 329 G HA3 0.771 4.736 3.960 0.008 0.000 0.300 329 G C -1.192 173.389 174.900 -0.533 0.000 1.330 329 G CA 0.134 44.517 45.100 -1.194 0.000 0.813 329 G HN 2.162 nan 8.290 nan 0.000 0.487 330 V N -2.332 117.410 119.914 -0.288 0.000 3.159 330 V HA 0.914 5.039 4.120 0.008 0.000 0.308 330 V C 0.227 176.530 176.094 0.349 0.000 1.190 330 V CA -0.345 62.020 62.300 0.109 0.000 1.037 330 V CB 1.150 33.011 31.823 0.063 0.000 1.060 330 V HN 1.976 nan 8.190 nan 0.000 0.437 331 V N 0.108 120.247 119.914 0.376 0.000 2.973 331 V HA 0.562 4.687 4.120 0.008 0.000 0.314 331 V C 1.405 177.707 176.094 0.345 0.000 1.066 331 V CA 0.080 62.649 62.300 0.449 0.000 1.021 331 V CB 1.263 33.345 31.823 0.432 0.000 1.076 331 V HN 1.101 nan 8.190 nan 0.000 0.462 332 K N 0.265 120.866 120.400 0.335 0.000 2.097 332 K HA -0.091 4.233 4.320 0.008 0.000 0.206 332 K C 0.047 176.781 176.600 0.223 0.000 1.049 332 K CA 2.122 58.558 56.287 0.248 0.000 0.933 332 K CB -0.033 32.591 32.500 0.206 0.000 0.717 332 K HN 0.965 nan 8.250 nan 0.000 0.442 333 D N 0.613 121.154 120.400 0.236 0.000 2.502 333 D HA 0.065 4.709 4.640 0.008 0.000 0.301 333 D C 0.055 176.499 176.300 0.240 0.000 1.202 333 D CA -0.195 53.932 54.000 0.212 0.000 0.878 333 D CB 1.351 42.256 40.800 0.175 0.000 1.062 333 D HN 0.033 nan 8.370 nan 0.000 0.499 334 E N 0.579 120.929 120.200 0.250 0.000 2.153 334 E HA -0.117 4.238 4.350 0.008 0.000 0.194 334 E C 2.097 178.871 176.600 0.289 0.000 0.988 334 E CA 0.835 57.409 56.400 0.289 0.000 0.811 334 E CB 0.028 29.870 29.700 0.236 0.000 0.746 334 E HN 0.526 nan 8.360 nan 0.000 0.466 335 G N 0.974 109.918 108.800 0.239 0.000 2.603 335 G HA2 -0.155 3.809 3.960 0.008 0.000 0.214 335 G HA3 -0.155 3.809 3.960 0.008 0.000 0.214 335 G C 1.733 176.811 174.900 0.296 0.000 1.140 335 G CA 0.786 46.045 45.100 0.265 0.000 0.800 335 G HN 0.357 nan 8.290 nan 0.000 0.533 336 S N -0.039 115.793 115.700 0.220 0.000 2.368 336 S HA -0.207 4.267 4.470 0.008 0.000 0.225 336 S C 2.085 176.707 174.600 0.037 0.000 1.030 336 S CA 1.166 59.460 58.200 0.156 0.000 0.999 336 S CB -0.835 62.391 63.200 0.044 0.000 0.844 336 S HN 0.416 nan 8.310 nan 0.000 0.459 337 Y N 1.499 121.676 120.300 -0.204 0.000 2.139 337 Y HA -0.219 4.336 4.550 0.007 0.000 0.282 337 Y C 1.790 177.509 175.900 -0.302 0.000 1.179 337 Y CA 1.996 59.819 58.100 -0.461 0.000 1.161 337 Y CB -0.412 37.672 38.460 -0.627 0.000 0.970 337 Y HN 0.286 nan 8.280 nan 0.000 0.511 338 F N -0.936 119.103 119.950 0.148 0.000 2.456 338 F HA -0.117 4.414 4.527 0.007 0.000 0.298 338 F C 1.902 177.751 175.800 0.081 0.000 1.104 338 F CA 0.658 58.720 58.000 0.103 0.000 1.435 338 F CB -0.368 38.598 39.000 -0.056 0.000 1.078 338 F HN -0.003 nan 8.300 nan 0.000 0.546 339 L N -0.073 121.231 121.223 0.134 0.000 2.093 339 L HA -0.142 4.202 4.340 0.008 0.000 0.208 339 L C 2.401 179.293 176.870 0.037 0.000 1.085 339 L CA 1.074 55.844 54.840 -0.118 0.000 0.755 339 L CB -0.925 40.828 42.059 -0.511 0.000 0.904 339 L HN 0.166 nan 8.230 nan 0.000 0.435 340 V N -4.734 115.264 119.914 0.140 0.000 3.380 340 V HA -0.166 3.959 4.120 0.008 0.000 0.268 340 V C 1.255 177.288 176.094 -0.102 0.000 1.168 340 V CA 0.894 63.261 62.300 0.112 0.000 1.156 340 V CB -1.105 30.802 31.823 0.140 0.000 0.785 340 V HN 0.311 nan 8.190 nan 0.000 0.487 341 Y N 1.516 121.842 120.300 0.044 0.000 2.625 341 Y HA 0.674 5.229 4.550 0.008 0.000 0.285 341 Y C 1.662 177.549 175.900 -0.021 0.000 1.168 341 Y CA 0.231 58.327 58.100 -0.005 0.000 1.250 341 Y CB 0.765 39.214 38.460 -0.019 0.000 1.130 341 Y HN 0.396 nan 8.280 nan 0.000 0.526 342 G N -1.301 107.561 108.800 0.103 0.000 3.987 342 G HA2 -0.070 3.895 3.960 0.008 0.000 0.220 342 G HA3 -0.070 3.895 3.960 0.008 0.000 0.220 342 G C -0.795 174.144 174.900 0.066 0.000 0.871 342 G CA -0.465 44.675 45.100 0.067 0.000 0.881 342 G HN -0.048 nan 8.290 nan 0.000 0.674 343 V N 2.915 122.873 119.914 0.074 0.000 2.385 343 V HA 0.402 4.526 4.120 0.008 0.000 0.269 343 V C -1.905 174.344 176.094 0.259 0.000 1.043 343 V CA -1.584 60.784 62.300 0.114 0.000 0.906 343 V CB 1.170 32.974 31.823 -0.031 0.000 0.995 343 V HN 0.068 nan 8.190 nan 0.000 0.467 344 P HA 0.292 nan 4.420 nan 0.000 0.265 344 P C 0.989 178.403 177.300 0.191 0.000 1.193 344 P CA 1.079 64.275 63.100 0.161 0.000 0.765 344 P CB 0.747 32.503 31.700 0.092 0.000 0.823 345 G N 1.141 109.991 108.800 0.084 0.000 2.253 345 G HA2 -0.191 3.774 3.960 0.008 0.000 0.209 345 G HA3 -0.191 3.774 3.960 0.008 0.000 0.209 345 G C -0.218 174.513 174.900 -0.282 0.000 0.997 345 G CA -0.618 44.405 45.100 -0.129 0.000 0.640 345 G HN 0.403 nan 8.290 nan 0.000 0.496 346 F N 1.548 121.493 119.950 -0.008 0.000 2.443 346 F HA 0.789 5.320 4.527 0.007 0.000 0.335 346 F C 0.576 176.439 175.800 0.105 0.000 1.104 346 F CA -0.221 57.790 58.000 0.019 0.000 1.013 346 F CB 2.307 41.357 39.000 0.084 0.000 1.136 346 F HN 0.114 nan 8.300 nan 0.000 0.470 347 S N 1.474 117.372 115.700 0.330 0.000 2.537 347 S HA 0.257 4.732 4.470 0.008 0.000 0.270 347 S C 0.322 175.188 174.600 0.443 0.000 1.142 347 S CA -0.911 57.479 58.200 0.317 0.000 0.870 347 S CB 1.378 64.676 63.200 0.164 0.000 1.112 347 S HN 0.770 nan 8.310 nan 0.000 0.466 348 K N 1.345 121.927 120.400 0.303 0.000 2.365 348 K HA 0.094 4.419 4.320 0.008 0.000 0.199 348 K C 0.032 176.644 176.600 0.020 0.000 1.045 348 K CA 1.221 57.589 56.287 0.134 0.000 0.962 348 K CB -0.063 32.291 32.500 -0.243 0.000 0.759 348 K HN 0.409 nan 8.250 nan 0.000 0.469 349 D N 0.972 121.366 120.400 -0.010 0.000 2.340 349 D HA 0.033 4.678 4.640 0.008 0.000 0.217 349 D C -0.403 175.908 176.300 0.018 0.000 1.081 349 D CA 0.172 54.138 54.000 -0.057 0.000 0.842 349 D CB 0.143 40.880 40.800 -0.105 0.000 0.934 349 D HN 0.489 nan 8.370 nan 0.000 0.511 350 N N -1.181 117.571 118.700 0.087 0.000 2.902 350 N HA 0.095 4.840 4.740 0.008 0.000 0.268 350 N C 0.373 175.921 175.510 0.064 0.000 1.450 350 N CA -0.501 52.575 53.050 0.043 0.000 0.819 350 N CB 0.866 39.338 38.487 -0.025 0.000 1.540 350 N HN -0.434 nan 8.380 nan 0.000 0.545 351 E N -0.419 119.743 120.200 -0.063 0.000 2.511 351 E HA 0.042 4.396 4.350 0.008 0.000 0.196 351 E C -0.368 175.852 176.600 -0.634 0.000 1.066 351 E CA 0.331 56.613 56.400 -0.196 0.000 0.871 351 E CB -0.588 29.044 29.700 -0.114 0.000 0.863 351 E HN 0.595 nan 8.360 nan 0.000 0.520 352 S N 0.061 115.420 115.700 -0.567 0.000 3.641 352 S HA -0.193 4.282 4.470 0.008 0.000 0.346 352 S C 0.352 174.476 174.600 -0.794 0.000 1.074 352 S CA 0.175 57.897 58.200 -0.796 0.000 1.026 352 S CB -1.874 60.609 63.200 -1.195 0.000 0.908 352 S HN 0.302 nan 8.310 nan 0.000 0.479 353 L N 1.619 122.541 121.223 -0.501 0.000 2.418 353 L HA 0.405 4.750 4.340 0.008 0.000 0.274 353 L C 0.666 177.318 176.870 -0.364 0.000 1.135 353 L CA 0.088 54.702 54.840 -0.376 0.000 0.870 353 L CB 0.118 42.032 42.059 -0.242 0.000 1.154 353 L HN 0.436 nan 8.230 nan 0.000 0.462 354 I N 0.064 120.427 120.570 -0.345 0.000 2.910 354 I HA 0.636 4.811 4.170 0.008 0.000 0.310 354 I C 0.431 176.464 176.117 -0.141 0.000 1.043 354 I CA -0.681 60.455 61.300 -0.273 0.000 1.053 354 I CB 2.016 39.823 38.000 -0.321 0.000 1.242 354 I HN 0.550 nan 8.210 nan 0.000 0.452 355 S N 2.593 118.246 115.700 -0.078 0.000 2.645 355 S HA 0.353 4.828 4.470 0.008 0.000 0.266 355 S C 0.967 175.589 174.600 0.037 0.000 1.258 355 S CA -0.393 57.793 58.200 -0.025 0.000 0.990 355 S CB 1.393 64.587 63.200 -0.009 0.000 0.967 355 S HN 0.890 nan 8.310 nan 0.000 0.556 356 R N 0.396 120.926 120.500 0.049 0.000 2.096 356 R HA -0.059 4.286 4.340 0.008 0.000 0.235 356 R C 2.387 178.783 176.300 0.160 0.000 1.127 356 R CA 1.419 57.590 56.100 0.119 0.000 0.968 356 R CB -1.077 29.269 30.300 0.077 0.000 0.861 356 R HN 0.843 nan 8.270 nan 0.000 0.440 357 A N 0.611 123.488 122.820 0.096 0.000 1.908 357 A HA -0.220 4.104 4.320 0.008 0.000 0.218 357 A C 2.013 179.651 177.584 0.090 0.000 1.181 357 A CA 1.496 53.581 52.037 0.080 0.000 0.627 357 A CB -0.466 18.564 19.000 0.050 0.000 0.818 357 A HN 0.490 nan 8.150 nan 0.000 0.445 358 Q N -2.126 117.733 119.800 0.098 0.000 2.224 358 Q HA -0.115 4.230 4.340 0.008 0.000 0.203 358 Q C 1.840 177.964 176.000 0.206 0.000 0.970 358 Q CA 1.302 57.175 55.803 0.116 0.000 0.865 358 Q CB -0.225 28.552 28.738 0.065 0.000 0.922 358 Q HN 0.749 nan 8.270 nan 0.000 0.445 359 F N 1.254 121.236 119.950 0.053 0.000 2.113 359 F HA -0.137 4.395 4.527 0.008 0.000 0.297 359 F C 1.673 177.508 175.800 0.060 0.000 1.103 359 F CA 1.176 59.216 58.000 0.067 0.000 1.248 359 F CB -0.251 38.771 39.000 0.035 0.000 0.999 359 F HN -0.058 nan 8.300 nan 0.000 0.475 360 L N 0.033 121.210 121.223 -0.076 0.000 2.046 360 L HA -0.175 4.169 4.340 0.008 0.000 0.208 360 L C 2.778 179.582 176.870 -0.111 0.000 1.077 360 L CA 1.285 56.024 54.840 -0.169 0.000 0.747 360 L CB -1.670 40.369 42.059 -0.034 0.000 0.896 360 L HN 0.217 nan 8.230 nan 0.000 0.432 361 A N 0.730 123.536 122.820 -0.024 0.000 1.933 361 A HA -0.098 4.227 4.320 0.008 0.000 0.218 361 A C 2.428 180.008 177.584 -0.008 0.000 1.175 361 A CA 1.732 53.768 52.037 -0.000 0.000 0.628 361 A CB -1.157 17.865 19.000 0.036 0.000 0.814 361 A HN 0.448 nan 8.150 nan 0.000 0.444 362 G N -0.764 108.039 108.800 0.005 0.000 2.403 362 G HA2 -0.042 3.923 3.960 0.008 0.000 0.216 362 G HA3 -0.042 3.923 3.960 0.008 0.000 0.216 362 G C 1.456 176.309 174.900 -0.078 0.000 1.154 362 G CA 1.058 46.163 45.100 0.009 0.000 0.784 362 G HN 0.300 nan 8.290 nan 0.000 0.538 363 V N 1.072 120.870 119.914 -0.193 0.000 2.407 363 V HA -0.145 3.980 4.120 0.008 0.000 0.248 363 V C 2.976 179.008 176.094 -0.103 0.000 1.055 363 V CA 1.593 63.769 62.300 -0.206 0.000 1.049 363 V CB -0.372 31.241 31.823 -0.349 0.000 0.662 363 V HN 0.224 nan 8.190 nan 0.000 0.455 364 R N -0.062 120.391 120.500 -0.078 0.000 2.092 364 R HA 0.042 4.387 4.340 0.008 0.000 0.231 364 R C 2.055 178.338 176.300 -0.027 0.000 1.119 364 R CA 1.348 57.423 56.100 -0.041 0.000 0.970 364 R CB -0.801 29.483 30.300 -0.026 0.000 0.864 364 R HN 0.477 nan 8.270 nan 0.000 0.440 365 I N -0.359 120.196 120.570 -0.025 0.000 2.500 365 I HA -0.070 4.105 4.170 0.008 0.000 0.252 365 I C 2.189 178.293 176.117 -0.021 0.000 1.142 365 I CA 1.381 62.672 61.300 -0.015 0.000 1.451 365 I CB -0.396 37.602 38.000 -0.004 0.000 1.093 365 I HN 0.185 nan 8.210 nan 0.000 0.430 366 G N 0.248 109.029 108.800 -0.031 0.000 2.603 366 G HA2 0.056 4.021 3.960 0.008 0.000 0.214 366 G HA3 0.056 4.021 3.960 0.008 0.000 0.214 366 G C 0.758 175.656 174.900 -0.004 0.000 1.140 366 G CA 0.245 45.330 45.100 -0.026 0.000 0.800 366 G HN 0.218 nan 8.290 nan 0.000 0.533 367 V N 2.063 121.961 119.914 -0.027 0.000 2.320 367 V HA 0.232 4.356 4.120 0.008 0.000 0.257 367 V C -1.564 174.522 176.094 -0.013 0.000 0.996 367 V CA -1.103 61.167 62.300 -0.049 0.000 0.928 367 V CB 1.593 33.362 31.823 -0.089 0.000 1.169 367 V HN 0.062 nan 8.190 nan 0.000 0.475 368 P HA -0.072 nan 4.420 nan 0.000 0.225 368 P C 1.073 178.376 177.300 0.005 0.000 1.156 368 P CA 0.825 63.926 63.100 0.002 0.000 0.787 368 P CB 0.614 32.313 31.700 -0.001 0.000 0.802 369 Q N -0.120 119.690 119.800 0.018 0.000 2.472 369 Q HA 0.200 4.545 4.340 0.008 0.000 0.208 369 Q C 0.923 176.921 176.000 -0.003 0.000 0.958 369 Q CA 0.136 55.945 55.803 0.011 0.000 0.932 369 Q CB -0.674 28.080 28.738 0.026 0.000 1.007 369 Q HN 0.183 nan 8.270 nan 0.000 0.508 370 A N 0.785 123.600 122.820 -0.008 0.000 2.409 370 A HA 0.435 4.760 4.320 0.008 0.000 0.262 370 A C 0.394 177.968 177.584 -0.016 0.000 1.113 370 A CA -0.325 51.701 52.037 -0.019 0.000 0.790 370 A CB 0.187 19.175 19.000 -0.020 0.000 1.046 370 A HN 0.347 nan 8.150 nan 0.000 0.496 371 S N 2.042 117.729 115.700 -0.021 0.000 2.598 371 S HA 0.040 4.514 4.470 0.008 0.000 0.256 371 S C 0.397 174.994 174.600 -0.005 0.000 1.350 371 S CA 0.435 58.626 58.200 -0.014 0.000 0.984 371 S CB 0.227 63.415 63.200 -0.020 0.000 0.930 371 S HN 0.637 nan 8.310 nan 0.000 0.577 372 D N 0.037 120.438 120.400 0.002 0.000 2.149 372 D HA -0.067 4.578 4.640 0.008 0.000 0.198 372 D C 1.689 178.003 176.300 0.024 0.000 0.990 372 D CA 0.916 54.922 54.000 0.011 0.000 0.839 372 D CB -0.356 40.452 40.800 0.013 0.000 0.948 372 D HN 0.407 nan 8.370 nan 0.000 0.460 373 L N 0.482 121.719 121.223 0.024 0.000 2.072 373 L HA 0.044 4.389 4.340 0.008 0.000 0.205 373 L C 2.041 178.949 176.870 0.063 0.000 1.079 373 L CA 1.518 56.385 54.840 0.045 0.000 0.752 373 L CB -0.849 41.233 42.059 0.038 0.000 0.906 373 L HN -0.003 nan 8.230 nan 0.000 0.436 374 A N -0.362 122.475 122.820 0.028 0.000 1.908 374 A HA -0.166 4.158 4.320 0.008 0.000 0.218 374 A C 2.450 180.070 177.584 0.060 0.000 1.181 374 A CA 2.007 54.058 52.037 0.022 0.000 0.627 374 A CB -1.214 17.761 19.000 -0.043 0.000 0.818 374 A HN 0.561 nan 8.150 nan 0.000 0.445 375 A N -0.639 122.202 122.820 0.035 0.000 1.933 375 A HA -0.130 4.195 4.320 0.008 0.000 0.218 375 A C 1.982 179.597 177.584 0.052 0.000 1.175 375 A CA 2.112 54.165 52.037 0.026 0.000 0.628 375 A CB -0.431 18.566 19.000 -0.004 0.000 0.814 375 A HN 0.524 nan 8.150 nan 0.000 0.444 376 E N 0.125 120.369 120.200 0.073 0.000 2.107 376 E HA 0.020 4.375 4.350 0.008 0.000 0.191 376 E C 2.011 178.704 176.600 0.156 0.000 0.982 376 E CA 1.262 57.725 56.400 0.105 0.000 0.809 376 E CB -0.435 29.323 29.700 0.097 0.000 0.756 376 E HN 0.462 nan 8.360 nan 0.000 0.459 377 A N 0.062 122.994 122.820 0.186 0.000 1.883 377 A HA -0.188 4.136 4.320 0.008 0.000 0.217 377 A C 2.470 180.197 177.584 0.238 0.000 1.186 377 A CA 1.811 54.010 52.037 0.269 0.000 0.624 377 A CB -0.902 18.356 19.000 0.430 0.000 0.822 377 A HN 0.198 nan 8.150 nan 0.000 0.444 378 V N -0.407 119.663 119.914 0.260 0.000 2.295 378 V HA -0.240 3.884 4.120 0.008 0.000 0.246 378 V C 2.581 178.835 176.094 0.266 0.000 1.049 378 V CA 2.035 64.463 62.300 0.214 0.000 1.024 378 V CB -0.804 31.121 31.823 0.170 0.000 0.648 378 V HN 0.383 nan 8.190 nan 0.000 0.447 379 V N -0.243 119.777 119.914 0.176 0.000 2.407 379 V HA -0.253 3.872 4.120 0.008 0.000 0.248 379 V C 2.255 178.566 176.094 0.363 0.000 1.055 379 V CA 1.908 64.350 62.300 0.236 0.000 1.049 379 V CB -0.545 31.349 31.823 0.117 0.000 0.662 379 V HN 0.445 nan 8.190 nan 0.000 0.455 380 L N -0.833 120.591 121.223 0.334 0.000 2.109 380 L HA -0.146 4.198 4.340 0.008 0.000 0.207 380 L C 2.568 179.664 176.870 0.376 0.000 1.086 380 L CA 1.782 56.902 54.840 0.467 0.000 0.760 380 L CB -0.745 41.516 42.059 0.337 0.000 0.910 380 L HN 0.415 nan 8.230 nan 0.000 0.437 381 H N -0.745 118.344 119.070 0.032 0.000 2.353 381 H HA -0.205 4.355 4.556 0.007 0.000 0.300 381 H C 1.818 177.047 175.328 -0.166 0.000 1.090 381 H CA 1.975 57.887 56.048 -0.226 0.000 1.327 381 H CB 0.026 29.316 29.762 -0.785 0.000 1.383 381 H HN 0.244 nan 8.280 nan 0.000 0.508 382 Y N -0.159 120.213 120.300 0.119 0.000 2.510 382 Y HA 0.113 4.668 4.550 0.009 0.000 0.273 382 Y C 0.857 176.824 175.900 0.112 0.000 1.119 382 Y CA 0.398 58.598 58.100 0.166 0.000 1.286 382 Y CB 0.284 38.967 38.460 0.371 0.000 1.061 382 Y HN 0.046 nan 8.280 nan 0.000 0.542 383 T N 1.289 115.897 114.554 0.089 0.000 2.930 383 T HA -0.066 4.289 4.350 0.008 0.000 0.306 383 T C -0.227 174.181 174.700 -0.486 0.000 1.045 383 T CA -0.180 61.722 62.100 -0.331 0.000 1.134 383 T CB 0.316 68.595 68.868 -0.982 0.000 0.961 383 T HN 0.051 nan 8.240 nan 0.000 0.545 384 D N 1.699 121.773 120.400 -0.543 0.000 2.411 384 D HA 0.114 4.759 4.640 0.008 0.000 0.225 384 D C -0.005 176.010 176.300 -0.475 0.000 1.156 384 D CA -0.702 52.965 54.000 -0.556 0.000 0.874 384 D CB 0.317 40.621 40.800 -0.827 0.000 1.034 384 D HN 0.601 nan 8.370 nan 0.000 0.502 385 W N 3.099 124.320 121.300 -0.132 0.000 2.825 385 W HA 0.089 4.753 4.660 0.006 0.000 0.243 385 W C 1.989 178.413 176.519 -0.159 0.000 1.293 385 W CA -0.263 57.017 57.345 -0.108 0.000 1.403 385 W CB 0.050 29.459 29.460 -0.085 0.000 1.134 385 W HN 0.417 nan 8.180 nan 0.000 0.666 386 L N -1.009 120.145 121.223 -0.114 0.000 2.240 386 L HA -0.065 4.280 4.340 0.008 0.000 0.211 386 L C 0.153 176.658 176.870 -0.608 0.000 1.106 386 L CA 1.147 55.764 54.840 -0.373 0.000 0.793 386 L CB -0.166 41.590 42.059 -0.505 0.000 0.927 386 L HN 0.061 nan 8.230 nan 0.000 0.446 387 H N -2.171 116.829 119.070 -0.117 0.000 2.823 387 H HA 0.133 4.693 4.556 0.007 0.000 0.222 387 H C -1.896 173.329 175.328 -0.171 0.000 1.414 387 H CA -1.004 54.972 56.048 -0.121 0.000 1.289 387 H CB 0.259 29.942 29.762 -0.131 0.000 1.970 387 H HN -0.052 nan 8.280 nan 0.000 0.517 388 P HA -0.132 nan 4.420 nan 0.000 0.231 388 P C 0.373 177.593 177.300 -0.133 0.000 1.158 388 P CA 1.157 64.117 63.100 -0.234 0.000 0.763 388 P CB 0.540 32.117 31.700 -0.204 0.000 0.805 389 E N -0.793 119.375 120.200 -0.053 0.000 2.714 389 E HA 0.063 4.418 4.350 0.008 0.000 0.219 389 E C -0.351 176.227 176.600 -0.036 0.000 0.979 389 E CA -0.259 56.119 56.400 -0.037 0.000 1.092 389 E CB 0.189 29.883 29.700 -0.010 0.000 1.049 389 E HN 0.176 nan 8.360 nan 0.000 0.487 390 D N 2.795 123.179 120.400 -0.027 0.000 2.382 390 D HA 0.004 4.648 4.640 0.008 0.000 0.259 390 D C -1.252 175.010 176.300 -0.064 0.000 1.224 390 D CA -1.672 52.304 54.000 -0.040 0.000 0.894 390 D CB 1.099 41.872 40.800 -0.045 0.000 1.127 390 D HN -0.088 nan 8.370 nan 0.000 0.487 391 P HA -0.097 nan 4.420 nan 0.000 0.226 391 P C 0.903 178.112 177.300 -0.152 0.000 1.153 391 P CA 0.734 63.757 63.100 -0.128 0.000 0.777 391 P CB 0.325 31.946 31.700 -0.131 0.000 0.794 392 T N -1.035 113.452 114.554 -0.111 0.000 2.809 392 T HA -0.131 4.223 4.350 0.008 0.000 0.260 392 T C 1.793 176.445 174.700 -0.080 0.000 1.039 392 T CA 1.411 63.452 62.100 -0.100 0.000 1.141 392 T CB -1.057 67.773 68.868 -0.063 0.000 0.869 392 T HN 0.250 nan 8.240 nan 0.000 0.437 393 H N 1.175 120.169 119.070 -0.126 0.000 2.352 393 H HA 0.064 4.624 4.556 0.007 0.000 0.299 393 H C 1.975 177.189 175.328 -0.189 0.000 1.097 393 H CA 1.305 57.279 56.048 -0.125 0.000 1.311 393 H CB -0.568 29.117 29.762 -0.129 0.000 1.377 393 H HN 0.227 nan 8.280 nan 0.000 0.504 394 L N -0.027 120.994 121.223 -0.337 0.000 2.046 394 L HA -0.161 4.184 4.340 0.008 0.000 0.208 394 L C 2.922 179.571 176.870 -0.369 0.000 1.077 394 L CA 1.439 55.957 54.840 -0.536 0.000 0.747 394 L CB -0.468 41.369 42.059 -0.371 0.000 0.896 394 L HN 0.299 nan 8.230 nan 0.000 0.432 395 R N 0.535 120.909 120.500 -0.209 0.000 2.083 395 R HA -0.196 4.148 4.340 0.008 0.000 0.237 395 R C 1.649 177.981 176.300 0.052 0.000 1.137 395 R CA 2.200 58.269 56.100 -0.052 0.000 0.951 395 R CB -0.410 29.747 30.300 -0.240 0.000 0.851 395 R HN 0.343 nan 8.270 nan 0.000 0.434 396 D N 0.275 120.642 120.400 -0.055 0.000 2.219 396 D HA -0.070 4.574 4.640 0.008 0.000 0.205 396 D C 1.683 177.962 176.300 -0.034 0.000 0.970 396 D CA 1.267 55.275 54.000 0.013 0.000 0.851 396 D CB -0.147 40.655 40.800 0.003 0.000 0.943 396 D HN 0.382 nan 8.370 nan 0.000 0.488 397 A N 0.555 123.221 122.820 -0.257 0.000 1.930 397 A HA -0.131 4.194 4.320 0.008 0.000 0.217 397 A C 2.117 179.751 177.584 0.084 0.000 1.175 397 A CA 1.244 53.187 52.037 -0.157 0.000 0.627 397 A CB -0.401 18.277 19.000 -0.537 0.000 0.815 397 A HN 0.119 nan 8.150 nan 0.000 0.443 398 M N -0.037 119.668 119.600 0.176 0.000 2.086 398 M HA -0.098 4.387 4.480 0.008 0.000 0.261 398 M C 2.327 178.688 176.300 0.102 0.000 1.067 398 M CA 2.119 57.590 55.300 0.286 0.000 1.116 398 M CB -0.695 32.134 32.600 0.382 0.000 1.348 398 M HN 0.401 nan 8.290 nan 0.000 0.407 399 S N -0.314 115.463 115.700 0.128 0.000 2.365 399 S HA -0.171 4.304 4.470 0.008 0.000 0.225 399 S C 2.050 176.721 174.600 0.118 0.000 1.039 399 S CA 1.858 60.145 58.200 0.145 0.000 1.033 399 S CB -0.680 62.665 63.200 0.241 0.000 0.887 399 S HN 0.636 nan 8.310 nan 0.000 0.447 400 A N 0.707 123.605 122.820 0.131 0.000 1.902 400 A HA -0.004 4.321 4.320 0.008 0.000 0.217 400 A C 2.368 179.992 177.584 0.066 0.000 1.181 400 A CA 1.761 53.904 52.037 0.178 0.000 0.623 400 A CB -1.106 18.099 19.000 0.341 0.000 0.818 400 A HN 0.461 nan 8.150 nan 0.000 0.443 401 V N -0.355 119.459 119.914 -0.167 0.000 2.252 401 V HA -0.277 3.848 4.120 0.008 0.000 0.249 401 V C 2.593 178.608 176.094 -0.132 0.000 1.056 401 V CA 2.274 64.407 62.300 -0.279 0.000 1.022 401 V CB -0.806 30.849 31.823 -0.279 0.000 0.641 401 V HN 0.393 nan 8.190 nan 0.000 0.445 402 V N 0.547 120.410 119.914 -0.084 0.000 2.358 402 V HA -0.134 3.991 4.120 0.008 0.000 0.246 402 V C 2.603 178.596 176.094 -0.168 0.000 1.047 402 V CA 2.091 64.328 62.300 -0.104 0.000 1.035 402 V CB -1.365 30.445 31.823 -0.023 0.000 0.658 402 V HN 0.616 nan 8.190 nan 0.000 0.452 403 G N -0.256 108.514 108.800 -0.050 0.000 2.421 403 G HA2 -0.239 3.725 3.960 0.008 0.000 0.216 403 G HA3 -0.239 3.725 3.960 0.008 0.000 0.216 403 G C 1.229 176.062 174.900 -0.111 0.000 1.171 403 G CA 1.057 46.139 45.100 -0.029 0.000 0.775 403 G HN 0.496 nan 8.290 nan 0.000 0.543 404 D N -0.299 120.043 120.400 -0.095 0.000 2.097 404 D HA -0.082 4.563 4.640 0.008 0.000 0.197 404 D C 2.118 178.094 176.300 -0.539 0.000 0.984 404 D CA 1.260 55.161 54.000 -0.164 0.000 0.826 404 D CB -0.487 40.371 40.800 0.097 0.000 0.973 404 D HN 0.387 nan 8.370 nan 0.000 0.460 405 H N 0.944 119.418 119.070 -0.994 0.000 2.353 405 H HA 0.020 4.580 4.556 0.007 0.000 0.300 405 H C 1.472 176.397 175.328 -0.672 0.000 1.090 405 H CA 1.694 56.988 56.048 -1.256 0.000 1.327 405 H CB -0.005 28.992 29.762 -1.276 0.000 1.383 405 H HN 0.014 nan 8.280 nan 0.000 0.508 406 N N -0.781 117.467 118.700 -0.754 0.000 2.409 406 N HA -0.007 4.738 4.740 0.008 0.000 0.174 406 N C 1.239 176.505 175.510 -0.406 0.000 1.037 406 N CA 1.090 53.642 53.050 -0.830 0.000 0.898 406 N CB 1.054 38.495 38.487 -1.743 0.000 1.010 406 N HN 0.277 nan 8.380 nan 0.000 0.445 407 V N -0.525 119.214 119.914 -0.291 0.000 3.161 407 V HA 0.059 4.183 4.120 0.008 0.000 0.221 407 V C 2.138 178.193 176.094 -0.064 0.000 1.296 407 V CA 0.194 62.459 62.300 -0.060 0.000 1.306 407 V CB -0.001 31.859 31.823 0.063 0.000 1.171 407 V HN -0.171 nan 8.190 nan 0.000 0.513 408 V N -0.017 119.854 119.914 -0.072 0.000 2.307 408 V HA -0.260 3.865 4.120 0.008 0.000 0.245 408 V C 2.457 178.512 176.094 -0.064 0.000 1.045 408 V CA 2.536 64.810 62.300 -0.044 0.000 1.024 408 V CB -0.646 31.181 31.823 0.007 0.000 0.651 408 V HN 0.662 nan 8.190 nan 0.000 0.449 409 c N -0.565 117.984 118.600 -0.085 0.000 2.475 409 c HA 0.051 4.626 4.570 0.008 0.000 0.279 409 c C 0.504 174.558 174.090 -0.060 0.000 1.322 409 c CA 0.620 56.929 56.329 -0.034 0.000 1.734 409 c CB -1.673 40.853 42.510 0.028 0.000 2.005 409 c HN 0.456 nan 8.230 nan 0.000 0.495 410 P HA -0.092 nan 4.420 nan 0.000 0.216 410 P C 1.739 178.971 177.300 -0.114 0.000 1.153 410 P CA 1.453 64.475 63.100 -0.130 0.000 0.858 410 P CB -0.158 31.431 31.700 -0.184 0.000 0.789 411 V N -0.016 119.833 119.914 -0.107 0.000 2.307 411 V HA -0.232 3.893 4.120 0.008 0.000 0.245 411 V C 2.478 178.472 176.094 -0.167 0.000 1.045 411 V CA 2.153 64.376 62.300 -0.128 0.000 1.024 411 V CB -1.698 30.052 31.823 -0.121 0.000 0.651 411 V HN 0.094 nan 8.190 nan 0.000 0.449 412 A N -0.499 122.236 122.820 -0.142 0.000 1.873 412 A HA -0.366 3.959 4.320 0.008 0.000 0.218 412 A C 2.246 179.773 177.584 -0.095 0.000 1.193 412 A CA 2.513 54.467 52.037 -0.137 0.000 0.629 412 A CB -0.660 18.315 19.000 -0.043 0.000 0.826 412 A HN 0.617 nan 8.150 nan 0.000 0.447 413 Q N -1.045 118.723 119.800 -0.053 0.000 2.050 413 Q HA -0.188 4.157 4.340 0.008 0.000 0.202 413 Q C 1.989 177.953 176.000 -0.059 0.000 0.980 413 Q CA 1.785 57.570 55.803 -0.030 0.000 0.840 413 Q CB -0.308 28.416 28.738 -0.023 0.000 0.898 413 Q HN 0.514 nan 8.270 nan 0.000 0.424 414 L N 0.680 121.842 121.223 -0.101 0.000 1.990 414 L HA -0.174 4.171 4.340 0.008 0.000 0.213 414 L C 2.257 179.042 176.870 -0.141 0.000 1.072 414 L CA 2.462 57.226 54.840 -0.126 0.000 0.755 414 L CB -1.110 40.864 42.059 -0.142 0.000 0.889 414 L HN 0.313 nan 8.230 nan 0.000 0.432 415 A N -0.746 121.956 122.820 -0.197 0.000 1.908 415 A HA -0.099 4.226 4.320 0.008 0.000 0.218 415 A C 2.341 179.882 177.584 -0.071 0.000 1.181 415 A CA 1.712 53.586 52.037 -0.272 0.000 0.627 415 A CB -1.587 17.006 19.000 -0.678 0.000 0.818 415 A HN 0.560 nan 8.150 nan 0.000 0.445 416 G N -0.745 108.064 108.800 0.015 0.000 2.404 416 G HA2 -0.190 3.775 3.960 0.008 0.000 0.215 416 G HA3 -0.190 3.775 3.960 0.008 0.000 0.215 416 G C 1.703 176.670 174.900 0.113 0.000 1.174 416 G CA 0.745 45.955 45.100 0.183 0.000 0.780 416 G HN 0.398 nan 8.290 nan 0.000 0.537 417 R N 0.261 120.790 120.500 0.049 0.000 2.066 417 R HA 0.116 4.461 4.340 0.008 0.000 0.232 417 R C 2.690 179.030 176.300 0.066 0.000 1.131 417 R CA 0.551 56.686 56.100 0.058 0.000 0.955 417 R CB -1.186 29.137 30.300 0.037 0.000 0.851 417 R HN 0.396 nan 8.270 nan 0.000 0.432 418 L N 0.419 121.624 121.223 -0.031 0.000 2.042 418 L HA -0.141 4.203 4.340 0.008 0.000 0.210 418 L C 2.627 179.537 176.870 0.066 0.000 1.076 418 L CA 1.512 56.305 54.840 -0.079 0.000 0.749 418 L CB -0.724 41.200 42.059 -0.225 0.000 0.893 418 L HN 0.152 nan 8.230 nan 0.000 0.432 419 A N -0.053 122.820 122.820 0.088 0.000 1.930 419 A HA -0.104 4.221 4.320 0.008 0.000 0.217 419 A C 2.500 180.144 177.584 0.100 0.000 1.175 419 A CA 1.589 53.693 52.037 0.111 0.000 0.627 419 A CB -0.584 18.522 19.000 0.176 0.000 0.815 419 A HN 0.404 nan 8.150 nan 0.000 0.443 420 A N -1.470 121.415 122.820 0.107 0.000 2.014 420 A HA -0.063 4.262 4.320 0.008 0.000 0.218 420 A C 1.942 179.585 177.584 0.099 0.000 1.163 420 A CA 1.655 53.746 52.037 0.089 0.000 0.652 420 A CB -0.224 18.827 19.000 0.085 0.000 0.808 420 A HN 0.476 nan 8.150 nan 0.000 0.449 421 Q N -1.874 118.018 119.800 0.153 0.000 2.280 421 Q HA 0.359 4.703 4.340 0.008 0.000 0.201 421 Q C 0.918 177.025 176.000 0.179 0.000 0.890 421 Q CA 0.766 56.680 55.803 0.185 0.000 0.947 421 Q CB 0.601 29.561 28.738 0.370 0.000 1.081 421 Q HN 0.808 nan 8.270 nan 0.000 0.502 422 G N -1.435 107.452 108.800 0.146 0.000 2.229 422 G HA2 -0.163 3.801 3.960 0.008 0.000 0.189 422 G HA3 -0.163 3.801 3.960 0.008 0.000 0.189 422 G C 0.244 175.214 174.900 0.116 0.000 1.000 422 G CA -0.275 44.891 45.100 0.109 0.000 0.663 422 G HN 0.496 nan 8.290 nan 0.000 0.493 423 A N 0.114 123.021 122.820 0.146 0.000 2.386 423 A HA 0.705 5.030 4.320 0.008 0.000 0.248 423 A C 0.634 178.253 177.584 0.058 0.000 1.082 423 A CA 0.586 52.692 52.037 0.114 0.000 0.789 423 A CB 0.289 19.335 19.000 0.078 0.000 1.025 423 A HN 0.762 nan 8.150 nan 0.000 0.490 424 R N 1.496 122.027 120.500 0.051 0.000 2.196 424 R HA 0.487 4.832 4.340 0.008 0.000 0.340 424 R C -1.427 174.848 176.300 -0.041 0.000 1.043 424 R CA -0.112 55.980 56.100 -0.014 0.000 0.883 424 R CB 0.281 30.601 30.300 0.034 0.000 1.078 424 R HN 0.464 nan 8.270 nan 0.000 0.462 425 V N 5.652 125.477 119.914 -0.148 0.000 2.555 425 V HA 0.417 4.542 4.120 0.008 0.000 0.302 425 V C -0.977 174.936 176.094 -0.302 0.000 1.038 425 V CA -0.766 61.467 62.300 -0.111 0.000 0.887 425 V CB 1.505 33.331 31.823 0.004 0.000 0.991 425 V HN 0.633 nan 8.190 nan 0.000 0.434 426 Y N 2.079 122.327 120.300 -0.087 0.000 2.376 426 Y HA 0.777 5.330 4.550 0.006 0.000 0.340 426 Y C 0.277 176.248 175.900 0.119 0.000 0.965 426 Y CA -0.564 57.462 58.100 -0.123 0.000 1.078 426 Y CB 2.222 40.214 38.460 -0.780 0.000 1.193 426 Y HN 0.758 nan 8.280 nan 0.000 0.452 427 A N 3.341 126.557 122.820 0.660 0.000 2.386 427 A HA 0.850 5.175 4.320 0.008 0.000 0.311 427 A C -1.829 176.158 177.584 0.671 0.000 1.068 427 A CA -0.702 51.606 52.037 0.452 0.000 0.743 427 A CB 0.879 19.990 19.000 0.186 0.000 1.258 427 A HN 0.739 nan 8.150 nan 0.000 0.429 428 Y N -0.196 120.362 120.300 0.429 0.000 2.581 428 Y HA 0.793 5.346 4.550 0.005 0.000 0.345 428 Y C -1.075 175.015 175.900 0.316 0.000 1.036 428 Y CA -1.647 56.648 58.100 0.325 0.000 1.042 428 Y CB 1.321 39.952 38.460 0.286 0.000 1.289 428 Y HN 0.681 nan 8.280 nan 0.000 0.471 429 I N 3.425 124.314 120.570 0.531 0.000 2.433 429 I HA 0.465 4.640 4.170 0.008 0.000 0.292 429 I C -1.751 174.709 176.117 0.572 0.000 1.001 429 I CA -1.051 60.532 61.300 0.471 0.000 1.119 429 I CB 1.043 39.263 38.000 0.367 0.000 1.289 429 I HN 0.741 nan 8.210 nan 0.000 0.438 430 F N 7.408 127.653 119.950 0.492 0.000 2.391 430 F HA 0.402 4.934 4.527 0.009 0.000 0.359 430 F C 0.420 176.383 175.800 0.272 0.000 1.122 430 F CA -0.017 58.208 58.000 0.375 0.000 1.120 430 F CB 0.851 40.085 39.000 0.390 0.000 1.142 430 F HN 0.545 nan 8.300 nan 0.000 0.483 431 E N 3.290 123.384 120.200 -0.178 0.000 2.660 431 E HA -0.007 4.348 4.350 0.008 0.000 0.216 431 E C -0.836 175.660 176.600 -0.174 0.000 0.986 431 E CA -0.196 56.169 56.400 -0.059 0.000 1.037 431 E CB 0.292 29.980 29.700 -0.019 0.000 1.041 431 E HN 0.540 nan 8.360 nan 0.000 0.480 432 H N 1.572 120.301 119.070 -0.568 0.000 2.517 432 H HA 0.250 4.810 4.556 0.007 0.000 0.317 432 H C -0.420 174.886 175.328 -0.036 0.000 1.080 432 H CA -0.529 55.272 56.048 -0.412 0.000 1.301 432 H CB 0.628 29.955 29.762 -0.725 0.000 1.425 432 H HN -0.142 nan 8.280 nan 0.000 0.471 433 R N 4.128 124.284 120.500 -0.573 0.000 2.234 433 R HA 0.459 4.804 4.340 0.008 0.000 0.324 433 R C -0.554 175.452 176.300 -0.491 0.000 1.054 433 R CA -0.554 55.357 56.100 -0.315 0.000 0.912 433 R CB 0.314 30.524 30.300 -0.150 0.000 1.030 433 R HN 0.830 nan 8.270 nan 0.000 0.455 434 A N 3.154 126.024 122.820 0.083 0.000 2.546 434 A HA -0.014 4.311 4.320 0.008 0.000 0.243 434 A C 1.374 179.075 177.584 0.195 0.000 1.063 434 A CA 0.567 52.867 52.037 0.438 0.000 0.757 434 A CB 0.277 19.645 19.000 0.613 0.000 0.991 434 A HN 1.014 nan 8.150 nan 0.000 0.503 435 S N 1.576 117.433 115.700 0.261 0.000 2.442 435 S HA -0.154 4.321 4.470 0.008 0.000 0.236 435 S C 1.253 175.857 174.600 0.007 0.000 1.007 435 S CA 1.631 59.903 58.200 0.119 0.000 0.965 435 S CB -0.705 62.589 63.200 0.157 0.000 0.773 435 S HN 1.307 nan 8.310 nan 0.000 0.504 436 T N -0.966 113.553 114.554 -0.059 0.000 3.145 436 T HA 0.410 4.765 4.350 0.008 0.000 0.255 436 T C 0.210 174.841 174.700 -0.115 0.000 1.039 436 T CA -0.654 61.346 62.100 -0.166 0.000 0.928 436 T CB -0.307 68.320 68.868 -0.401 0.000 1.029 436 T HN 0.211 nan 8.240 nan 0.000 0.554 437 L N 4.092 125.291 121.223 -0.040 0.000 2.455 437 L HA 0.320 4.664 4.340 0.008 0.000 0.272 437 L C 1.527 178.344 176.870 -0.088 0.000 1.174 437 L CA 0.639 55.451 54.840 -0.048 0.000 0.869 437 L CB 0.881 42.921 42.059 -0.032 0.000 1.130 437 L HN 0.456 nan 8.230 nan 0.000 0.474 438 T N -0.149 114.305 114.554 -0.167 0.000 3.044 438 T HA 0.081 4.436 4.350 0.008 0.000 0.250 438 T C 0.461 175.116 174.700 -0.074 0.000 1.081 438 T CA -0.423 61.564 62.100 -0.188 0.000 1.040 438 T CB -0.317 68.306 68.868 -0.409 0.000 0.962 438 T HN 0.414 nan 8.240 nan 0.000 0.506 439 W N 3.342 124.628 121.300 -0.022 0.000 2.126 439 W HA 0.408 5.073 4.660 0.009 0.000 0.346 439 W C -1.980 174.427 176.519 -0.186 0.000 1.279 439 W CA -2.205 55.091 57.345 -0.081 0.000 1.259 439 W CB 0.186 29.501 29.460 -0.241 0.000 1.133 439 W HN -0.013 nan 8.180 nan 0.000 0.592 440 P HA 0.024 nan 4.420 nan 0.000 0.272 440 P C 0.521 177.730 177.300 -0.152 0.000 1.230 440 P CA -0.002 63.041 63.100 -0.094 0.000 0.788 440 P CB 0.891 32.520 31.700 -0.119 0.000 0.949 441 L N 0.443 121.645 121.223 -0.035 0.000 2.127 441 L HA -0.137 4.208 4.340 0.008 0.000 0.211 441 L C 2.584 179.479 176.870 0.042 0.000 1.089 441 L CA 1.409 56.253 54.840 0.005 0.000 0.757 441 L CB -0.862 41.231 42.059 0.056 0.000 0.899 441 L HN 0.612 nan 8.230 nan 0.000 0.434 442 W N -0.364 120.967 121.300 0.051 0.000 2.387 442 W HA -0.189 4.475 4.660 0.007 0.000 0.272 442 W C 1.720 178.282 176.519 0.072 0.000 1.224 442 W CA 0.598 57.976 57.345 0.055 0.000 1.210 442 W CB -0.807 28.683 29.460 0.051 0.000 1.125 442 W HN 0.194 nan 8.180 nan 0.000 0.572 443 M N 1.298 120.571 119.600 -0.545 0.000 2.562 443 M HA 0.120 4.605 4.480 0.008 0.000 0.257 443 M C 1.773 177.992 176.300 -0.135 0.000 1.099 443 M CA 1.516 56.493 55.300 -0.538 0.000 1.099 443 M CB -0.672 31.445 32.600 -0.805 0.000 1.427 443 M HN 0.209 nan 8.290 nan 0.000 0.489 444 G N 0.639 109.410 108.800 -0.047 0.000 2.561 444 G HA2 -0.283 3.682 3.960 0.008 0.000 0.289 444 G HA3 -0.283 3.682 3.960 0.008 0.000 0.289 444 G C -0.175 174.746 174.900 0.035 0.000 1.169 444 G CA -0.218 44.901 45.100 0.032 0.000 0.980 444 G HN 0.216 nan 8.290 nan 0.000 0.550 445 V N 3.834 123.814 119.914 0.110 0.000 2.270 445 V HA 0.473 4.598 4.120 0.008 0.000 0.263 445 V C -1.787 174.453 176.094 0.244 0.000 1.066 445 V CA -0.693 61.724 62.300 0.196 0.000 0.857 445 V CB 1.056 33.044 31.823 0.275 0.000 1.099 445 V HN 0.545 nan 8.190 nan 0.000 0.476 446 P HA 0.227 nan 4.420 nan 0.000 0.278 446 P C -0.359 177.215 177.300 0.456 0.000 1.258 446 P CA -0.633 62.624 63.100 0.262 0.000 0.811 446 P CB 0.442 32.188 31.700 0.077 0.000 1.063 447 H N 0.408 119.616 119.070 0.230 0.000 3.125 447 H HA 0.273 4.834 4.556 0.007 0.000 0.310 447 H C 1.489 176.812 175.328 -0.008 0.000 0.980 447 H CA 2.278 58.393 56.048 0.111 0.000 1.422 447 H CB -0.722 29.065 29.762 0.041 0.000 1.432 447 H HN 0.753 nan 8.280 nan 0.000 0.577 448 G N 3.501 112.149 108.800 -0.253 0.000 2.194 448 G HA2 -0.311 3.654 3.960 0.008 0.000 0.236 448 G HA3 -0.311 3.654 3.960 0.008 0.000 0.236 448 G C 0.514 175.311 174.900 -0.172 0.000 0.987 448 G CA 0.343 45.234 45.100 -0.348 0.000 0.635 448 G HN 0.643 nan 8.290 nan 0.000 0.520 449 Y N 1.428 121.846 120.300 0.198 0.000 2.470 449 Y HA 0.248 4.802 4.550 0.007 0.000 0.284 449 Y C 2.292 178.308 175.900 0.193 0.000 1.188 449 Y CA 0.882 59.149 58.100 0.280 0.000 1.269 449 Y CB 0.438 39.105 38.460 0.346 0.000 1.094 449 Y HN 0.505 nan 8.280 nan 0.000 0.518 450 E N 0.163 120.307 120.200 -0.093 0.000 2.340 450 E HA -0.056 4.298 4.350 0.008 0.000 0.194 450 E C 1.617 178.079 176.600 -0.229 0.000 0.996 450 E CA 0.651 56.652 56.400 -0.665 0.000 0.869 450 E CB -0.336 28.638 29.700 -1.210 0.000 0.835 450 E HN 0.530 nan 8.360 nan 0.000 0.493 451 I N 2.852 123.387 120.570 -0.059 0.000 2.163 451 I HA -0.299 3.876 4.170 0.008 0.000 0.243 451 I C 2.753 178.855 176.117 -0.026 0.000 1.085 451 I CA 2.107 63.418 61.300 0.017 0.000 1.347 451 I CB -0.551 37.519 38.000 0.117 0.000 1.044 451 I HN 0.223 nan 8.210 nan 0.000 0.408 452 E N 1.125 121.257 120.200 -0.113 0.000 2.209 452 E HA -0.241 4.114 4.350 0.008 0.000 0.196 452 E C 2.013 178.364 176.600 -0.414 0.000 0.993 452 E CA 1.528 57.765 56.400 -0.272 0.000 0.819 452 E CB -0.481 29.048 29.700 -0.284 0.000 0.745 452 E HN 0.452 nan 8.360 nan 0.000 0.477 453 F N 1.165 120.995 119.950 -0.200 0.000 2.219 453 F HA 0.001 4.534 4.527 0.011 0.000 0.294 453 F C 2.354 177.915 175.800 -0.399 0.000 1.086 453 F CA 0.461 58.283 58.000 -0.296 0.000 1.330 453 F CB -0.075 38.822 39.000 -0.172 0.000 1.047 453 F HN -0.033 nan 8.300 nan 0.000 0.495 454 I N -0.741 119.664 120.570 -0.275 0.000 2.226 454 I HA -0.287 3.888 4.170 0.008 0.000 0.245 454 I C 2.108 177.968 176.117 -0.429 0.000 1.100 454 I CA 1.737 62.711 61.300 -0.542 0.000 1.374 454 I CB -1.428 36.124 38.000 -0.747 0.000 1.057 454 I HN 0.084 nan 8.210 nan 0.000 0.413 455 F N 0.989 120.738 119.950 -0.334 0.000 2.661 455 F HA 0.171 4.703 4.527 0.008 0.000 0.298 455 F C 1.872 177.500 175.800 -0.286 0.000 1.137 455 F CA 0.894 58.737 58.000 -0.262 0.000 1.454 455 F CB -0.361 38.472 39.000 -0.279 0.000 1.103 455 F HN 0.305 nan 8.300 nan 0.000 0.577 456 G N -0.007 108.611 108.800 -0.303 0.000 2.149 456 G HA2 -0.289 3.676 3.960 0.008 0.000 0.235 456 G HA3 -0.289 3.676 3.960 0.008 0.000 0.235 456 G C 0.917 175.207 174.900 -1.017 0.000 1.018 456 G CA 0.273 45.078 45.100 -0.492 0.000 0.728 456 G HN 0.278 nan 8.290 nan 0.000 0.508 457 L N 0.379 121.032 121.223 -0.950 0.000 2.079 457 L HA 0.034 4.379 4.340 0.008 0.000 0.210 457 L C 0.410 176.741 176.870 -0.898 0.000 1.081 457 L CA 2.673 56.894 54.840 -1.032 0.000 0.752 457 L CB -1.030 40.701 42.059 -0.546 0.000 0.896 457 L HN 0.205 nan 8.230 nan 0.000 0.433 458 P HA -0.149 nan 4.420 nan 0.000 0.226 458 P C 1.540 178.603 177.300 -0.395 0.000 1.146 458 P CA 0.885 63.418 63.100 -0.945 0.000 0.773 458 P CB 0.032 31.132 31.700 -1.001 0.000 0.772 459 L N -1.255 119.701 121.223 -0.445 0.000 2.376 459 L HA -0.023 4.322 4.340 0.008 0.000 0.219 459 L C 0.966 177.792 176.870 -0.073 0.000 1.133 459 L CA 1.144 55.856 54.840 -0.213 0.000 0.816 459 L CB -1.126 40.838 42.059 -0.158 0.000 0.933 459 L HN -0.057 nan 8.230 nan 0.000 0.449 460 D N 0.093 120.426 120.400 -0.112 0.000 2.352 460 D HA 0.092 4.736 4.640 0.008 0.000 0.245 460 D C -1.681 174.648 176.300 0.049 0.000 1.224 460 D CA -2.072 51.968 54.000 0.066 0.000 0.879 460 D CB 1.413 42.290 40.800 0.129 0.000 1.057 460 D HN -0.012 nan 8.370 nan 0.000 0.491 461 P HA -0.101 nan 4.420 nan 0.000 0.223 461 P C 1.270 178.590 177.300 0.034 0.000 1.151 461 P CA 0.645 63.771 63.100 0.043 0.000 0.787 461 P CB 0.073 31.793 31.700 0.033 0.000 0.788 462 S N -0.729 114.989 115.700 0.030 0.000 2.500 462 S HA -0.073 4.402 4.470 0.008 0.000 0.239 462 S C 1.580 176.174 174.600 -0.009 0.000 0.989 462 S CA 0.794 58.999 58.200 0.009 0.000 0.951 462 S CB -1.365 61.840 63.200 0.009 0.000 0.759 462 S HN 0.129 nan 8.310 nan 0.000 0.523 463 L N 0.451 121.681 121.223 0.011 0.000 2.592 463 L HA 0.243 4.588 4.340 0.008 0.000 0.227 463 L C 0.324 177.118 176.870 -0.126 0.000 1.127 463 L CA -0.077 54.742 54.840 -0.037 0.000 0.884 463 L CB -0.609 41.492 42.059 0.071 0.000 1.065 463 L HN 0.219 nan 8.230 nan 0.000 0.457 464 N N -1.566 117.109 118.700 -0.043 0.000 2.782 464 N HA -0.225 4.520 4.740 0.008 0.000 0.251 464 N C -0.312 175.146 175.510 -0.086 0.000 1.101 464 N CA 0.831 53.840 53.050 -0.068 0.000 0.764 464 N CB -1.775 36.644 38.487 -0.112 0.000 1.122 464 N HN 0.298 nan 8.380 nan 0.000 0.561 465 Y N 0.937 121.223 120.300 -0.024 0.000 2.296 465 Y HA 0.162 4.717 4.550 0.008 0.000 0.343 465 Y C 2.063 177.986 175.900 0.039 0.000 1.292 465 Y CA 0.454 58.566 58.100 0.019 0.000 1.490 465 Y CB 0.351 38.810 38.460 -0.001 0.000 1.359 465 Y HN 0.094 nan 8.280 nan 0.000 0.599 466 T N -3.230 111.482 114.554 0.263 0.000 2.816 466 T HA 0.091 4.445 4.350 0.008 0.000 0.282 466 T C 1.063 175.845 174.700 0.137 0.000 0.993 466 T CA -0.337 61.858 62.100 0.159 0.000 0.994 466 T CB 0.892 69.843 68.868 0.139 0.000 1.025 466 T HN 0.678 nan 8.240 nan 0.000 0.529 467 T N 0.957 115.562 114.554 0.084 0.000 2.746 467 T HA -0.069 4.286 4.350 0.008 0.000 0.267 467 T C 1.829 176.563 174.700 0.056 0.000 1.039 467 T CA 1.770 63.905 62.100 0.059 0.000 1.142 467 T CB -0.446 68.444 68.868 0.038 0.000 0.866 467 T HN 0.758 nan 8.240 nan 0.000 0.444 468 E N 1.277 121.507 120.200 0.050 0.000 2.110 468 E HA -0.113 4.242 4.350 0.008 0.000 0.193 468 E C 2.218 178.851 176.600 0.056 0.000 0.988 468 E CA 1.035 57.448 56.400 0.022 0.000 0.804 468 E CB -0.180 29.508 29.700 -0.021 0.000 0.745 468 E HN 0.565 nan 8.360 nan 0.000 0.458 469 E N 0.219 120.495 120.200 0.126 0.000 2.110 469 E HA -0.151 4.203 4.350 0.008 0.000 0.193 469 E C 2.135 178.864 176.600 0.215 0.000 0.988 469 E CA 0.473 57.037 56.400 0.273 0.000 0.804 469 E CB 0.009 29.992 29.700 0.472 0.000 0.745 469 E HN 0.061 nan 8.360 nan 0.000 0.458 470 R N 0.797 121.352 120.500 0.091 0.000 2.073 470 R HA -0.139 4.205 4.340 0.008 0.000 0.234 470 R C 2.160 178.471 176.300 0.018 0.000 1.134 470 R CA 0.989 57.091 56.100 0.002 0.000 0.952 470 R CB -0.164 30.133 30.300 -0.005 0.000 0.850 470 R HN 0.160 nan 8.270 nan 0.000 0.433 471 I N 0.630 121.228 120.570 0.048 0.000 2.208 471 I HA -0.278 3.897 4.170 0.008 0.000 0.245 471 I C 2.312 178.481 176.117 0.087 0.000 1.097 471 I CA 1.000 62.326 61.300 0.043 0.000 1.363 471 I CB -1.437 36.586 38.000 0.038 0.000 1.051 471 I HN 0.087 nan 8.210 nan 0.000 0.413 472 F N 2.209 122.122 119.950 -0.062 0.000 2.069 472 F HA -0.197 4.334 4.527 0.007 0.000 0.298 472 F C 2.528 178.317 175.800 -0.018 0.000 1.113 472 F CA 1.530 59.483 58.000 -0.077 0.000 1.214 472 F CB -0.721 38.172 39.000 -0.178 0.000 0.978 472 F HN 0.057 nan 8.300 nan 0.000 0.474 473 A N 0.064 122.836 122.820 -0.080 0.000 1.908 473 A HA -0.261 4.063 4.320 0.008 0.000 0.218 473 A C 2.152 179.611 177.584 -0.208 0.000 1.181 473 A CA 1.935 53.851 52.037 -0.201 0.000 0.627 473 A CB -0.938 17.947 19.000 -0.192 0.000 0.818 473 A HN 0.640 nan 8.150 nan 0.000 0.445 474 Q N -0.903 118.816 119.800 -0.134 0.000 2.124 474 Q HA -0.171 4.173 4.340 0.008 0.000 0.202 474 Q C 2.369 178.277 176.000 -0.153 0.000 0.977 474 Q CA 1.464 57.196 55.803 -0.118 0.000 0.850 474 Q CB -0.183 28.512 28.738 -0.071 0.000 0.901 474 Q HN 0.631 nan 8.270 nan 0.000 0.429 475 R N 0.368 120.766 120.500 -0.169 0.000 2.073 475 R HA -0.110 4.235 4.340 0.008 0.000 0.234 475 R C 2.355 178.405 176.300 -0.415 0.000 1.134 475 R CA 1.180 57.102 56.100 -0.297 0.000 0.952 475 R CB -0.301 29.903 30.300 -0.160 0.000 0.850 475 R HN 0.230 nan 8.270 nan 0.000 0.433 476 L N 0.073 121.140 121.223 -0.259 0.000 2.017 476 L HA -0.214 4.131 4.340 0.008 0.000 0.208 476 L C 2.575 179.420 176.870 -0.042 0.000 1.073 476 L CA 1.454 56.234 54.840 -0.100 0.000 0.745 476 L CB -0.414 41.423 42.059 -0.370 0.000 0.894 476 L HN 0.247 nan 8.230 nan 0.000 0.432 477 M N -0.613 118.890 119.600 -0.162 0.000 2.144 477 M HA -0.234 4.250 4.480 0.008 0.000 0.260 477 M C 2.334 178.631 176.300 -0.006 0.000 1.067 477 M CA 1.704 56.941 55.300 -0.105 0.000 1.095 477 M CB -0.347 32.175 32.600 -0.130 0.000 1.365 477 M HN 0.127 nan 8.290 nan 0.000 0.406 478 K N -0.408 119.950 120.400 -0.069 0.000 2.025 478 K HA -0.142 4.183 4.320 0.008 0.000 0.207 478 K C 1.901 178.542 176.600 0.069 0.000 1.049 478 K CA 1.551 57.805 56.287 -0.054 0.000 0.933 478 K CB -0.322 32.085 32.500 -0.156 0.000 0.714 478 K HN 0.319 nan 8.250 nan 0.000 0.438 479 Y N -0.135 120.295 120.300 0.216 0.000 2.145 479 Y HA -0.220 4.337 4.550 0.011 0.000 0.286 479 Y C 2.347 178.376 175.900 0.215 0.000 1.145 479 Y CA 0.752 59.005 58.100 0.254 0.000 1.148 479 Y CB -0.773 37.970 38.460 0.471 0.000 0.981 479 Y HN 0.226 nan 8.280 nan 0.000 0.507 480 W N 0.679 122.057 121.300 0.130 0.000 2.355 480 W HA -0.222 4.442 4.660 0.006 0.000 0.309 480 W C 2.480 179.000 176.519 0.001 0.000 1.206 480 W CA 2.325 59.683 57.345 0.022 0.000 1.284 480 W CB -0.579 28.818 29.460 -0.105 0.000 1.145 480 W HN 0.240 nan 8.180 nan 0.000 0.502 481 T N -2.276 112.381 114.554 0.172 0.000 2.942 481 T HA -0.121 4.234 4.350 0.008 0.000 0.265 481 T C 1.433 176.159 174.700 0.043 0.000 1.062 481 T CA 1.073 63.208 62.100 0.059 0.000 1.139 481 T CB -0.581 68.301 68.868 0.024 0.000 0.883 481 T HN -0.071 nan 8.240 nan 0.000 0.468 482 N N 0.924 119.666 118.700 0.071 0.000 2.120 482 N HA -0.010 4.735 4.740 0.008 0.000 0.188 482 N C 1.407 176.916 175.510 -0.001 0.000 1.024 482 N CA 1.021 54.093 53.050 0.037 0.000 0.852 482 N CB -0.649 37.878 38.487 0.067 0.000 1.003 482 N HN 0.452 nan 8.380 nan 0.000 0.424 483 F N 1.900 121.769 119.950 -0.136 0.000 2.095 483 F HA -0.135 4.397 4.527 0.008 0.000 0.298 483 F C 2.229 177.954 175.800 -0.125 0.000 1.104 483 F CA 1.384 59.259 58.000 -0.208 0.000 1.232 483 F CB -0.513 38.274 39.000 -0.355 0.000 0.987 483 F HN 0.035 nan 8.300 nan 0.000 0.475 484 A N 0.770 123.525 122.820 -0.109 0.000 1.883 484 A HA -0.237 4.088 4.320 0.008 0.000 0.217 484 A C 2.366 179.848 177.584 -0.171 0.000 1.186 484 A CA 2.060 54.012 52.037 -0.142 0.000 0.624 484 A CB -0.822 18.153 19.000 -0.041 0.000 0.822 484 A HN 0.479 nan 8.150 nan 0.000 0.444 485 R N -1.209 119.221 120.500 -0.116 0.000 2.073 485 R HA -0.093 4.252 4.340 0.008 0.000 0.234 485 R C 2.076 178.296 176.300 -0.134 0.000 1.134 485 R CA 1.966 58.008 56.100 -0.097 0.000 0.952 485 R CB -0.374 29.894 30.300 -0.054 0.000 0.850 485 R HN 0.751 nan 8.270 nan 0.000 0.433 486 T N -5.360 109.091 114.554 -0.172 0.000 2.986 486 T HA 0.252 4.607 4.350 0.008 0.000 0.264 486 T C 1.146 175.724 174.700 -0.202 0.000 0.964 486 T CA 0.355 62.367 62.100 -0.146 0.000 0.895 486 T CB 1.336 70.155 68.868 -0.082 0.000 1.163 486 T HN 0.359 nan 8.240 nan 0.000 0.517 487 G N 1.382 109.935 108.800 -0.412 0.000 2.147 487 G HA2 -0.141 3.824 3.960 0.008 0.000 0.244 487 G HA3 -0.141 3.824 3.960 0.008 0.000 0.244 487 G C -0.391 174.432 174.900 -0.128 0.000 1.005 487 G CA 0.173 44.957 45.100 -0.527 0.000 0.713 487 G HN 0.845 nan 8.290 nan 0.000 0.515 488 D N -0.976 119.353 120.400 -0.117 0.000 2.764 488 D HA 0.427 5.072 4.640 0.008 0.000 0.227 488 D C -1.424 174.742 176.300 -0.223 0.000 1.347 488 D CA -1.460 52.433 54.000 -0.178 0.000 0.953 488 D CB 1.849 42.624 40.800 -0.041 0.000 1.476 488 D HN -0.030 nan 8.370 nan 0.000 0.585 489 P HA -0.038 nan 4.420 nan 0.000 0.229 489 P C 0.050 177.398 177.300 0.079 0.000 1.160 489 P CA 0.143 63.111 63.100 -0.220 0.000 0.777 489 P CB 0.274 31.589 31.700 -0.642 0.000 0.814 490 N N 1.891 120.591 118.700 0.001 0.000 2.458 490 N HA -0.024 4.720 4.740 0.008 0.000 0.258 490 N C 0.202 175.782 175.510 0.118 0.000 1.219 490 N CA 0.643 53.776 53.050 0.139 0.000 0.902 490 N CB 0.315 38.869 38.487 0.113 0.000 1.076 490 N HN 0.105 nan 8.380 nan 0.000 0.455 491 D N 2.416 122.902 120.400 0.144 0.000 2.371 491 D HA 0.072 4.717 4.640 0.008 0.000 0.256 491 D C -1.443 174.899 176.300 0.071 0.000 1.193 491 D CA -1.351 52.703 54.000 0.090 0.000 0.881 491 D CB 1.305 42.152 40.800 0.080 0.000 1.143 491 D HN 0.282 nan 8.370 nan 0.000 0.473 492 P HA -0.036 nan 4.420 nan 0.000 0.225 492 P C 0.759 178.083 177.300 0.040 0.000 1.156 492 P CA 0.872 63.997 63.100 0.042 0.000 0.787 492 P CB 0.323 32.040 31.700 0.028 0.000 0.802 493 R N -0.384 120.138 120.500 0.037 0.000 2.577 493 R HA 0.229 4.574 4.340 0.008 0.000 0.344 493 R C -0.018 176.303 176.300 0.036 0.000 1.037 493 R CA -0.017 56.102 56.100 0.033 0.000 1.102 493 R CB -1.051 29.264 30.300 0.025 0.000 1.313 493 R HN 0.120 nan 8.270 nan 0.000 0.561 494 D N -0.543 119.885 120.400 0.046 0.000 2.391 494 D HA 0.427 5.072 4.640 0.008 0.000 0.245 494 D C -1.078 175.259 176.300 0.062 0.000 1.069 494 D CA -0.334 53.697 54.000 0.051 0.000 0.831 494 D CB 1.803 42.635 40.800 0.053 0.000 1.204 494 D HN -0.013 nan 8.370 nan 0.000 0.503 495 S N 2.270 118.003 115.700 0.055 0.000 2.592 495 S HA 0.592 5.067 4.470 0.008 0.000 0.151 495 S C 0.023 174.652 174.600 0.048 0.000 1.280 495 S CA 0.428 58.660 58.200 0.054 0.000 1.187 495 S CB -0.663 62.565 63.200 0.046 0.000 1.471 495 S HN 0.800 nan 8.310 nan 0.000 0.409 496 K N 0.515 120.947 120.400 0.054 0.000 1.723 496 K HA 0.229 4.554 4.320 0.008 0.000 0.129 496 K C 0.348 176.982 176.600 0.055 0.000 2.520 496 K CA 0.500 56.815 56.287 0.047 0.000 1.153 496 K CB -1.340 31.184 32.500 0.040 0.000 2.797 496 K HN 0.541 nan 8.250 nan 0.000 0.359 497 S N 3.094 118.835 115.700 0.068 0.000 2.562 497 S HA 0.468 4.943 4.470 0.008 0.000 0.281 497 S C -2.237 172.424 174.600 0.102 0.000 1.333 497 S CA -0.360 57.893 58.200 0.087 0.000 1.052 497 S CB 1.128 64.394 63.200 0.110 0.000 0.884 497 S HN 0.564 nan 8.310 nan 0.000 0.506 498 P HA 0.117 nan 4.420 nan 0.000 0.271 498 P C -0.671 176.710 177.300 0.135 0.000 1.216 498 P CA -0.404 62.752 63.100 0.094 0.000 0.776 498 P CB 0.459 32.197 31.700 0.064 0.000 0.881 499 Q N 0.901 120.784 119.800 0.137 0.000 2.260 499 Q HA 0.185 4.530 4.340 0.008 0.000 0.242 499 Q C -0.598 175.550 176.000 0.248 0.000 0.932 499 Q CA 0.083 56.001 55.803 0.192 0.000 0.891 499 Q CB 0.983 29.823 28.738 0.170 0.000 1.222 499 Q HN 0.581 nan 8.270 nan 0.000 0.453 500 W N 5.611 126.958 121.300 0.077 0.000 2.283 500 W HA 0.348 5.012 4.660 0.008 0.000 0.317 500 W C -2.486 174.178 176.519 0.241 0.000 1.042 500 W CA -2.592 54.811 57.345 0.097 0.000 1.348 500 W CB 0.583 30.028 29.460 -0.024 0.000 1.216 500 W HN 0.371 nan 8.180 nan 0.000 0.404 501 P HA 0.290 nan 4.420 nan 0.000 0.281 501 P C -2.618 174.889 177.300 0.346 0.000 1.249 501 P CA -1.743 61.586 63.100 0.382 0.000 0.810 501 P CB 0.933 32.769 31.700 0.227 0.000 1.008 502 P HA 0.049 nan 4.420 nan 0.000 0.269 502 P C -0.531 176.765 177.300 -0.006 0.000 1.209 502 P CA 0.126 63.027 63.100 -0.331 0.000 0.776 502 P CB 0.038 31.491 31.700 -0.411 0.000 0.876 503 Y N 2.737 122.995 120.300 -0.070 0.000 2.442 503 Y HA 0.303 4.861 4.550 0.013 0.000 0.330 503 Y C 0.457 176.349 175.900 -0.013 0.000 1.129 503 Y CA 0.734 58.853 58.100 0.031 0.000 1.365 503 Y CB 0.237 38.734 38.460 0.062 0.000 1.233 503 Y HN 0.408 nan 8.280 nan 0.000 0.529 504 T N 0.245 114.517 114.554 -0.469 0.000 2.906 504 T HA 0.250 4.604 4.350 0.008 0.000 0.295 504 T C 0.913 175.328 174.700 -0.475 0.000 1.075 504 T CA -0.217 61.701 62.100 -0.303 0.000 1.005 504 T CB 1.277 70.050 68.868 -0.158 0.000 1.136 504 T HN 0.661 nan 8.240 nan 0.000 0.498 505 T N -0.546 113.899 114.554 -0.183 0.000 2.788 505 T HA -0.034 4.321 4.350 0.008 0.000 0.268 505 T C 2.276 176.911 174.700 -0.109 0.000 1.044 505 T CA 1.081 63.118 62.100 -0.104 0.000 1.139 505 T CB -0.894 67.978 68.868 0.006 0.000 0.867 505 T HN 0.874 nan 8.240 nan 0.000 0.454 506 A N 1.892 124.656 122.820 -0.094 0.000 1.858 506 A HA 0.427 4.752 4.320 0.008 0.000 0.216 506 A C 2.675 180.214 177.584 -0.074 0.000 1.190 506 A CA 1.841 53.841 52.037 -0.061 0.000 0.617 506 A CB -1.192 17.784 19.000 -0.040 0.000 0.827 506 A HN 0.795 nan 8.150 nan 0.000 0.443 507 A N -2.499 120.253 122.820 -0.114 0.000 2.197 507 A HA 0.312 4.637 4.320 0.008 0.000 0.210 507 A C 0.914 178.425 177.584 -0.121 0.000 1.180 507 A CA 0.801 52.786 52.037 -0.087 0.000 0.846 507 A CB -0.181 18.784 19.000 -0.058 0.000 0.884 507 A HN 0.531 nan 8.150 nan 0.000 0.487 508 Q N -0.186 119.419 119.800 -0.326 0.000 2.453 508 Q HA -0.226 4.119 4.340 0.008 0.000 0.294 508 Q C -0.678 175.318 176.000 -0.006 0.000 1.295 508 Q CA 0.728 56.267 55.803 -0.439 0.000 0.853 508 Q CB -1.689 27.014 28.738 -0.057 0.000 1.193 508 Q HN 0.832 nan 8.270 nan 0.000 0.461 509 Q N 0.289 120.084 119.800 -0.008 0.000 2.293 509 Q HA 0.499 4.844 4.340 0.008 0.000 0.251 509 Q C -0.391 175.900 176.000 0.484 0.000 0.930 509 Q CA -0.046 55.879 55.803 0.204 0.000 0.893 509 Q CB 0.663 29.465 28.738 0.106 0.000 1.215 509 Q HN 0.335 nan 8.270 nan 0.000 0.425 510 Y N -1.704 118.739 120.300 0.239 0.000 2.670 510 Y HA 0.714 5.275 4.550 0.019 0.000 0.334 510 Y C -1.275 174.658 175.900 0.054 0.000 1.185 510 Y CA -1.530 56.716 58.100 0.244 0.000 1.053 510 Y CB 0.553 39.158 38.460 0.241 0.000 1.298 510 Y HN 0.344 nan 8.280 nan 0.000 0.459 511 V N -0.303 119.555 119.914 -0.093 0.000 2.769 511 V HA 0.819 4.944 4.120 0.008 0.000 0.312 511 V C -0.272 175.722 176.094 -0.166 0.000 1.061 511 V CA -0.548 61.528 62.300 -0.373 0.000 0.931 511 V CB 1.266 32.585 31.823 -0.840 0.000 1.010 511 V HN 1.231 nan 8.190 nan 0.000 0.433 512 S N 4.540 120.141 115.700 -0.164 0.000 2.499 512 S HA 0.649 5.124 4.470 0.008 0.000 0.275 512 S C -0.388 174.171 174.600 -0.068 0.000 1.257 512 S CA -0.603 57.572 58.200 -0.041 0.000 1.050 512 S CB 0.377 63.546 63.200 -0.052 0.000 0.937 512 S HN 0.768 nan 8.310 nan 0.000 0.490 513 L N 4.418 125.653 121.223 0.019 0.000 2.264 513 L HA 0.490 4.834 4.340 0.008 0.000 0.287 513 L C -0.140 176.659 176.870 -0.120 0.000 1.039 513 L CA -0.428 54.450 54.840 0.063 0.000 0.829 513 L CB -0.148 42.044 42.059 0.221 0.000 1.211 513 L HN 0.916 nan 8.230 nan 0.000 0.427 514 N N 2.102 120.652 118.700 -0.251 0.000 3.439 514 N HA 0.333 5.078 4.740 0.008 0.000 0.313 514 N C 0.193 175.143 175.510 -0.933 0.000 1.598 514 N CA -0.967 51.670 53.050 -0.688 0.000 0.830 514 N CB 0.628 38.888 38.487 -0.378 0.000 1.849 514 N HN 0.175 nan 8.380 nan 0.000 0.598 515 L N -1.041 119.654 121.223 -0.880 0.000 2.362 515 L HA 0.083 4.427 4.340 0.008 0.000 0.219 515 L C 0.389 177.069 176.870 -0.317 0.000 1.134 515 L CA 0.954 55.389 54.840 -0.674 0.000 0.807 515 L CB -0.525 41.229 42.059 -0.509 0.000 0.927 515 L HN 0.398 nan 8.230 nan 0.000 0.447 516 K N -0.126 120.130 120.400 -0.239 0.000 2.090 516 K HA 0.300 4.625 4.320 0.008 0.000 0.250 516 K C -2.202 174.353 176.600 -0.075 0.000 1.004 516 K CA -1.867 54.346 56.287 -0.125 0.000 0.919 516 K CB 0.128 32.568 32.500 -0.101 0.000 1.045 516 K HN -0.240 nan 8.250 nan 0.000 0.471 517 P HA -0.051 nan 4.420 nan 0.000 0.268 517 P C -0.449 176.850 177.300 -0.000 0.000 1.208 517 P CA -0.049 63.059 63.100 0.013 0.000 0.777 517 P CB 0.366 32.075 31.700 0.015 0.000 0.875 518 L N 1.625 122.865 121.223 0.028 0.000 2.615 518 L HA -0.069 4.276 4.340 0.008 0.000 0.284 518 L C 1.150 177.979 176.870 -0.067 0.000 1.237 518 L CA 0.900 55.713 54.840 -0.045 0.000 0.905 518 L CB -0.224 41.797 42.059 -0.063 0.000 1.149 518 L HN 0.521 nan 8.230 nan 0.000 0.499 519 E N 3.284 123.417 120.200 -0.112 0.000 2.224 519 E HA 0.387 4.742 4.350 0.008 0.000 0.265 519 E C -1.378 175.121 176.600 -0.169 0.000 0.878 519 E CA -0.804 55.531 56.400 -0.108 0.000 0.759 519 E CB 2.016 31.663 29.700 -0.089 0.000 1.164 519 E HN 0.291 nan 8.360 nan 0.000 0.414 520 V N 4.839 124.666 119.914 -0.144 0.000 2.530 520 V HA 0.360 4.485 4.120 0.008 0.000 0.282 520 V C 0.406 176.354 176.094 -0.242 0.000 1.048 520 V CA -0.043 62.147 62.300 -0.182 0.000 0.997 520 V CB 0.897 32.674 31.823 -0.077 0.000 0.987 520 V HN 0.699 nan 8.190 nan 0.000 0.477 521 R N 3.858 124.080 120.500 -0.463 0.000 2.912 521 R HA 0.727 5.072 4.340 0.008 0.000 0.262 521 R C -0.835 175.272 176.300 -0.323 0.000 1.057 521 R CA -1.053 54.764 56.100 -0.472 0.000 0.981 521 R CB 2.299 32.172 30.300 -0.713 0.000 1.201 521 R HN 0.560 nan 8.270 nan 0.000 0.484 522 R N 0.070 120.565 120.500 -0.010 0.000 2.513 522 R HA 0.442 4.787 4.340 0.008 0.000 0.301 522 R C -0.844 175.655 176.300 0.331 0.000 0.968 522 R CA -0.474 55.730 56.100 0.175 0.000 0.872 522 R CB 2.189 32.538 30.300 0.083 0.000 1.177 522 R HN 0.915 nan 8.270 nan 0.000 0.444 523 G N 2.458 111.496 108.800 0.396 0.000 3.445 523 G HA2 -0.224 3.741 3.960 0.008 0.000 0.680 523 G HA3 -0.224 3.741 3.960 0.008 0.000 0.680 523 G C -1.019 174.041 174.900 0.267 0.000 0.972 523 G CA -0.870 44.410 45.100 0.300 0.000 0.798 523 G HN 0.433 nan 8.290 nan 0.000 0.461 524 L N 4.115 125.387 121.223 0.082 0.000 2.356 524 L HA 0.540 4.885 4.340 0.008 0.000 0.282 524 L C 1.571 178.439 176.870 -0.003 0.000 1.132 524 L CA -0.301 54.430 54.840 -0.183 0.000 0.923 524 L CB -0.148 41.698 42.059 -0.354 0.000 1.278 524 L HN 0.690 nan 8.230 nan 0.000 0.436 525 R N 2.869 123.408 120.500 0.064 0.000 3.322 525 R HA -0.288 4.057 4.340 0.008 0.000 0.253 525 R C 1.353 177.743 176.300 0.149 0.000 0.987 525 R CA 0.651 56.828 56.100 0.129 0.000 0.666 525 R CB -2.026 28.363 30.300 0.148 0.000 1.072 525 R HN 0.813 nan 8.270 nan 0.000 0.447 526 A N 0.623 123.528 122.820 0.142 0.000 1.884 526 A HA -0.281 4.044 4.320 0.008 0.000 0.219 526 A C 2.059 179.733 177.584 0.149 0.000 1.197 526 A CA 1.510 53.632 52.037 0.142 0.000 0.637 526 A CB -0.149 18.930 19.000 0.132 0.000 0.827 526 A HN 0.412 nan 8.150 nan 0.000 0.450 527 Q N -0.923 118.964 119.800 0.146 0.000 2.046 527 Q HA -0.086 4.258 4.340 0.008 0.000 0.200 527 Q C 2.288 178.408 176.000 0.201 0.000 0.975 527 Q CA 2.046 57.939 55.803 0.150 0.000 0.836 527 Q CB -1.174 27.638 28.738 0.123 0.000 0.896 527 Q HN 0.672 nan 8.270 nan 0.000 0.428 528 T N 0.327 115.025 114.554 0.241 0.000 2.821 528 T HA -0.104 4.251 4.350 0.008 0.000 0.267 528 T C 1.969 176.904 174.700 0.390 0.000 1.046 528 T CA 1.053 63.337 62.100 0.305 0.000 1.139 528 T CB -0.241 68.854 68.868 0.377 0.000 0.871 528 T HN 0.303 nan 8.240 nan 0.000 0.454 529 c N 1.540 120.347 118.600 0.345 0.000 2.448 529 c HA 0.267 4.841 4.570 0.008 0.000 0.280 529 c C 3.092 177.351 174.090 0.282 0.000 1.398 529 c CA -0.004 56.540 56.329 0.357 0.000 1.774 529 c CB -1.348 41.296 42.510 0.225 0.000 1.888 529 c HN 0.636 nan 8.230 nan 0.000 0.519 530 A N 0.027 122.979 122.820 0.220 0.000 1.969 530 A HA -0.150 4.174 4.320 0.008 0.000 0.218 530 A C 1.830 179.521 177.584 0.179 0.000 1.169 530 A CA 1.357 53.497 52.037 0.173 0.000 0.635 530 A CB -0.702 18.384 19.000 0.143 0.000 0.810 530 A HN 0.560 nan 8.150 nan 0.000 0.445 531 F N -0.695 119.245 119.950 -0.017 0.000 2.075 531 F HA -0.166 4.365 4.527 0.007 0.000 0.297 531 F C 1.955 177.694 175.800 -0.103 0.000 1.113 531 F CA 1.819 59.723 58.000 -0.160 0.000 1.218 531 F CB -0.569 38.073 39.000 -0.596 0.000 0.984 531 F HN 0.365 nan 8.300 nan 0.000 0.472 532 W N 0.657 121.949 121.300 -0.013 0.000 2.381 532 W HA -0.149 4.514 4.660 0.005 0.000 0.301 532 W C 2.134 178.600 176.519 -0.089 0.000 1.205 532 W CA 1.147 58.432 57.345 -0.100 0.000 1.285 532 W CB -0.645 28.883 29.460 0.113 0.000 1.133 532 W HN -0.019 nan 8.180 nan 0.000 0.521 533 N N -0.631 118.192 118.700 0.206 0.000 2.392 533 N HA 0.053 4.798 4.740 0.008 0.000 0.177 533 N C 1.370 176.912 175.510 0.053 0.000 1.066 533 N CA 0.784 53.904 53.050 0.116 0.000 0.895 533 N CB -0.006 38.551 38.487 0.118 0.000 0.988 533 N HN 0.253 nan 8.380 nan 0.000 0.457 534 R N -1.649 118.878 120.500 0.045 0.000 2.302 534 R HA 0.237 4.582 4.340 0.008 0.000 0.187 534 R C 1.276 177.582 176.300 0.010 0.000 0.904 534 R CA -0.116 56.007 56.100 0.038 0.000 1.105 534 R CB -0.178 30.171 30.300 0.080 0.000 1.239 534 R HN 0.015 nan 8.270 nan 0.000 0.620 535 F N 1.789 121.649 119.950 -0.151 0.000 2.147 535 F HA 0.113 4.645 4.527 0.008 0.000 0.291 535 F C 1.843 177.476 175.800 -0.279 0.000 1.093 535 F CA 1.087 58.971 58.000 -0.192 0.000 1.263 535 F CB -0.178 38.716 39.000 -0.176 0.000 1.036 535 F HN -0.150 nan 8.300 nan 0.000 0.481 536 L N 0.555 121.423 121.223 -0.591 0.000 2.013 536 L HA -0.199 4.146 4.340 0.008 0.000 0.212 536 L C -0.350 176.269 176.870 -0.418 0.000 1.073 536 L CA 1.847 56.318 54.840 -0.616 0.000 0.753 536 L CB -2.123 39.616 42.059 -0.532 0.000 0.890 536 L HN 0.153 nan 8.230 nan 0.000 0.432 537 P HA -0.213 nan 4.420 nan 0.000 0.213 537 P C 1.416 178.581 177.300 -0.225 0.000 1.170 537 P CA 1.503 64.493 63.100 -0.184 0.000 0.902 537 P CB -0.036 31.597 31.700 -0.112 0.000 0.789 538 K N -1.205 119.035 120.400 -0.266 0.000 2.113 538 K HA -0.180 4.145 4.320 0.008 0.000 0.208 538 K C 1.973 178.377 176.600 -0.328 0.000 1.047 538 K CA 1.013 57.148 56.287 -0.253 0.000 0.928 538 K CB -0.834 31.537 32.500 -0.216 0.000 0.716 538 K HN 0.026 nan 8.250 nan 0.000 0.446 539 L N 1.369 122.270 121.223 -0.536 0.000 1.970 539 L HA -0.192 4.153 4.340 0.008 0.000 0.212 539 L C 2.124 178.848 176.870 -0.243 0.000 1.071 539 L CA 1.413 55.981 54.840 -0.452 0.000 0.751 539 L CB -0.991 40.725 42.059 -0.571 0.000 0.889 539 L HN 0.142 nan 8.230 nan 0.000 0.432 540 L N 0.014 121.107 121.223 -0.216 0.000 2.011 540 L HA -0.276 4.068 4.340 0.008 0.000 0.225 540 L C 1.727 178.535 176.870 -0.104 0.000 1.084 540 L CA 2.109 56.869 54.840 -0.133 0.000 0.791 540 L CB -1.235 40.754 42.059 -0.116 0.000 0.898 540 L HN 0.342 nan 8.230 nan 0.000 0.440 541 S N 1.379 117.015 115.700 -0.106 0.000 3.664 541 S HA 0.406 4.881 4.470 0.008 0.000 0.179 541 S C 0.369 174.925 174.600 -0.072 0.000 0.981 541 S CA 0.465 58.617 58.200 -0.079 0.000 1.049 541 S CB -2.062 61.093 63.200 -0.075 0.000 1.478 541 S HN 0.999 nan 8.310 nan 0.000 0.459 542 A N 0.000 122.781 122.820 -0.065 0.000 2.254 542 A HA 0.000 4.325 4.320 0.008 0.000 0.244 542 A CA 0.000 52.006 52.037 -0.052 0.000 0.836 542 A CB 0.000 18.974 19.000 -0.043 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486