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 1ocz_1_N DATA FIRST_RESID 1 DATA SEQUENCE MFINRWLFST NHKDIGTLYL LFGAWAGMVG TALSLLIRAE LGQPGTLLGD DATA SEQUENCE DQIYNVVVTA HAFVMIFFMV MPIMIGGFGN WLVPLMIGAP DMAFPRMNNM DATA SEQUENCE SFWLLPPSFL LLLASSMVEA GAGTGWTVYP PLAGNLAHAG ASVDLTIFSL DATA SEQUENCE HLAGVSSILG AINFITTIIN MKPPAMSQYQ TPLFVWSVMI TAVLLLLSLP DATA SEQUENCE VLAAGITMLL TDRNLNTTFF DPAGGGDPIL YQHLFWFFGH PEVYILILPG DATA SEQUENCE FGMISHIVTY YSGKKEPFGY MGMVWAMMSI GFLGFIVWAH HMFTVGMDVD DATA SEQUENCE TRAYFTSATM IIAIPTGVKV FSWLATLHGG NIKWSPAMMW ALGFIFLFTV DATA SEQUENCE GGLTGIVLAN SSLDIVLHDT YYVVAHFHYV LSMGAVFAIM GGFVHWFPLF DATA SEQUENCE SGYTLNDTWA KIHFAIMFVG VNMTFFPQHF LGLSGMPRRY SDYPDAYTMW DATA SEQUENCE NTISSMGSFI SLTAVMLMVF IIWEAFASKR EVLTVDLTTT NLEWLNGCPP DATA SEQUENCE PYHTFEEPTY VNLK 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.291 55.300 -0.016 0.000 0.988 1 M CB 0.000 32.611 32.600 0.019 0.000 1.302 2 F N 3.217 123.155 119.950 -0.020 0.000 2.091 2 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 2 F C 2.096 177.899 175.800 0.006 0.000 1.103 2 F CA 2.188 60.240 58.000 0.087 0.000 1.228 2 F CB -0.103 38.955 39.000 0.096 0.000 0.984 2 F HN 0.171 nan 8.300 nan 0.000 0.477 3 I N 0.744 121.381 120.570 0.112 0.000 2.118 3 I HA -0.361 3.809 4.170 -0.000 0.000 0.241 3 I C 1.910 177.700 176.117 -0.546 0.000 1.070 3 I CA 1.884 63.042 61.300 -0.237 0.000 1.327 3 I CB -1.838 35.918 38.000 -0.408 0.000 1.034 3 I HN 0.239 nan 8.210 nan 0.000 0.405 4 N N 0.392 118.834 118.700 -0.430 0.000 2.166 4 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 4 N C 1.977 177.346 175.510 -0.234 0.000 1.019 4 N CA 1.051 53.924 53.050 -0.295 0.000 0.856 4 N CB -0.280 38.123 38.487 -0.141 0.000 0.993 4 N HN 0.334 nan 8.380 nan 0.000 0.426 5 R N -0.581 119.696 120.500 -0.371 0.000 2.062 5 R HA -0.003 4.337 4.340 -0.000 0.000 0.226 5 R C 0.977 176.740 176.300 -0.896 0.000 1.125 5 R CA 1.116 56.828 56.100 -0.647 0.000 0.966 5 R CB -0.121 29.670 30.300 -0.848 0.000 0.861 5 R HN 0.301 nan 8.270 nan 0.000 0.433 6 W N -0.305 120.797 121.300 -0.330 0.000 3.077 6 W HA 0.241 4.901 4.660 -0.000 0.000 0.266 6 W C 1.194 177.749 176.519 0.061 0.000 1.300 6 W CA -0.207 56.976 57.345 -0.271 0.000 1.586 6 W CB 0.511 29.562 29.460 -0.682 0.000 1.103 6 W HN 0.070 nan 8.180 nan 0.000 0.652 7 L N -2.128 119.188 121.223 0.155 0.000 2.803 7 L HA 0.211 4.551 4.340 -0.000 0.000 0.246 7 L C 0.661 177.827 176.870 0.493 0.000 1.100 7 L CA 0.102 55.086 54.840 0.240 0.000 0.919 7 L CB -0.061 41.980 42.059 -0.029 0.000 1.285 7 L HN -0.168 nan 8.230 nan 0.000 0.522 8 F N 0.195 120.131 119.950 -0.022 0.000 2.668 8 F HA 0.320 4.847 4.527 -0.000 0.000 0.301 8 F C 1.410 177.191 175.800 -0.032 0.000 1.106 8 F CA -1.004 56.976 58.000 -0.035 0.000 1.289 8 F CB -0.432 38.535 39.000 -0.054 0.000 1.006 8 F HN -0.186 nan 8.300 nan 0.000 0.535 9 S N 0.844 116.627 115.700 0.137 0.000 2.563 9 S HA 0.228 4.698 4.470 -0.000 0.000 0.269 9 S C 1.032 175.641 174.600 0.016 0.000 1.364 9 S CA 1.069 59.269 58.200 -0.000 0.000 1.010 9 S CB 0.311 63.443 63.200 -0.113 0.000 0.877 9 S HN 0.504 nan 8.310 nan 0.000 0.549 10 T N 0.175 114.704 114.554 -0.043 0.000 4.143 10 T HA 0.290 4.640 4.350 -0.000 0.000 0.306 10 T C -0.670 173.961 174.700 -0.116 0.000 0.925 10 T CA -0.635 61.443 62.100 -0.036 0.000 1.014 10 T CB -0.850 68.024 68.868 0.010 0.000 1.115 10 T HN 0.511 nan 8.240 nan 0.000 0.464 11 N N 1.700 120.256 118.700 -0.240 0.000 2.442 11 N HA 0.141 4.881 4.740 -0.000 0.000 0.274 11 N C 1.290 176.529 175.510 -0.451 0.000 1.002 11 N CA -0.406 52.376 53.050 -0.447 0.000 0.910 11 N CB 1.140 39.135 38.487 -0.820 0.000 1.244 11 N HN 0.481 nan 8.380 nan 0.000 0.492 12 H N 3.941 122.768 119.070 -0.404 0.000 2.390 12 H HA -0.140 4.416 4.556 -0.000 0.000 0.298 12 H C 0.543 175.512 175.328 -0.598 0.000 1.106 12 H CA 1.342 57.154 56.048 -0.393 0.000 1.297 12 H CB 0.327 29.897 29.762 -0.319 0.000 1.375 12 H HN 0.485 nan 8.280 nan 0.000 0.509 13 K N 0.568 120.046 120.400 -1.536 0.000 1.973 13 K HA -0.107 4.213 4.320 -0.000 0.000 0.210 13 K C 2.062 177.978 176.600 -1.140 0.000 1.045 13 K CA 1.416 56.611 56.287 -1.819 0.000 0.937 13 K CB -0.005 31.423 32.500 -1.787 0.000 0.721 13 K HN 0.203 nan 8.250 nan 0.000 0.438 14 D N 1.042 120.972 120.400 -0.784 0.000 2.158 14 D HA -0.166 4.474 4.640 -0.000 0.000 0.197 14 D C 1.882 178.017 176.300 -0.275 0.000 0.995 14 D CA 1.123 54.853 54.000 -0.451 0.000 0.846 14 D CB -0.231 40.143 40.800 -0.711 0.000 0.941 14 D HN 0.216 nan 8.370 nan 0.000 0.456 15 I N 0.581 120.937 120.570 -0.357 0.000 2.233 15 I HA -0.122 4.048 4.170 -0.000 0.000 0.243 15 I C 2.612 178.631 176.117 -0.164 0.000 1.093 15 I CA 1.199 62.339 61.300 -0.266 0.000 1.380 15 I CB -0.600 37.312 38.000 -0.145 0.000 1.067 15 I HN 0.013 nan 8.210 nan 0.000 0.413 16 G N 0.418 109.104 108.800 -0.190 0.000 2.469 16 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 16 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 16 G C 1.647 176.573 174.900 0.042 0.000 1.136 16 G CA 1.623 46.701 45.100 -0.036 0.000 0.759 16 G HN 0.295 nan 8.290 nan 0.000 0.562 17 T N 0.981 115.523 114.554 -0.020 0.000 2.737 17 T HA -0.066 4.284 4.350 -0.000 0.000 0.265 17 T C 2.261 176.939 174.700 -0.038 0.000 1.038 17 T CA 0.892 63.050 62.100 0.097 0.000 1.144 17 T CB -0.225 68.757 68.868 0.191 0.000 0.866 17 T HN 0.061 nan 8.240 nan 0.000 0.434 18 L N 0.092 121.196 121.223 -0.199 0.000 2.079 18 L HA -0.040 4.300 4.340 -0.000 0.000 0.210 18 L C 1.994 178.559 176.870 -0.509 0.000 1.081 18 L CA 1.554 56.070 54.840 -0.539 0.000 0.752 18 L CB -1.013 40.404 42.059 -1.070 0.000 0.896 18 L HN 0.291 nan 8.230 nan 0.000 0.433 19 Y N -0.670 119.432 120.300 -0.330 0.000 2.060 19 Y HA -0.243 4.307 4.550 -0.000 0.000 0.276 19 Y C 2.441 178.417 175.900 0.127 0.000 1.127 19 Y CA 1.744 59.855 58.100 0.018 0.000 1.104 19 Y CB -0.683 37.797 38.460 0.033 0.000 0.983 19 Y HN 0.019 nan 8.280 nan 0.000 0.483 20 L N -0.580 120.774 121.223 0.219 0.000 2.103 20 L HA -0.324 4.016 4.340 -0.000 0.000 0.215 20 L C 2.386 179.363 176.870 0.178 0.000 1.080 20 L CA 1.280 56.202 54.840 0.138 0.000 0.764 20 L CB -0.854 41.218 42.059 0.021 0.000 0.890 20 L HN 0.313 nan 8.230 nan 0.000 0.435 21 L N -1.451 119.865 121.223 0.154 0.000 1.994 21 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 21 L C 2.570 179.598 176.870 0.263 0.000 1.071 21 L CA 1.424 56.359 54.840 0.159 0.000 0.745 21 L CB -0.450 41.644 42.059 0.057 0.000 0.892 21 L HN 0.181 nan 8.230 nan 0.000 0.431 22 F N 0.662 120.720 119.950 0.181 0.000 2.095 22 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 22 F C 2.216 178.178 175.800 0.271 0.000 1.104 22 F CA 1.659 59.814 58.000 0.257 0.000 1.232 22 F CB -0.623 38.569 39.000 0.321 0.000 0.987 22 F HN 0.008 nan 8.300 nan 0.000 0.475 23 G N -0.258 108.821 108.800 0.465 0.000 2.440 23 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 23 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 23 G C 1.808 176.792 174.900 0.139 0.000 1.154 23 G CA 0.951 46.226 45.100 0.292 0.000 0.767 23 G HN 0.634 nan 8.290 nan 0.000 0.552 24 A N -0.032 122.869 122.820 0.135 0.000 1.858 24 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 24 A C 2.140 179.770 177.584 0.078 0.000 1.190 24 A CA 1.652 53.733 52.037 0.074 0.000 0.617 24 A CB -0.897 18.154 19.000 0.085 0.000 0.827 24 A HN 0.513 nan 8.150 nan 0.000 0.443 25 W N 0.431 121.711 121.300 -0.034 0.000 2.311 25 W HA -0.245 4.415 4.660 -0.000 0.000 0.326 25 W C 2.651 179.134 176.519 -0.061 0.000 1.239 25 W CA 2.904 60.219 57.345 -0.049 0.000 1.258 25 W CB -0.549 28.866 29.460 -0.075 0.000 1.165 25 W HN 0.380 nan 8.180 nan 0.000 0.466 26 A N 0.447 123.262 122.820 -0.009 0.000 1.948 26 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 26 A C 2.193 179.717 177.584 -0.100 0.000 1.177 26 A CA 2.346 54.305 52.037 -0.131 0.000 0.636 26 A CB -1.739 17.078 19.000 -0.305 0.000 0.815 26 A HN 0.487 nan 8.150 nan 0.000 0.449 27 G N -0.919 107.842 108.800 -0.065 0.000 2.440 27 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 27 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 27 G C 1.497 176.348 174.900 -0.081 0.000 1.154 27 G CA 1.331 46.406 45.100 -0.041 0.000 0.767 27 G HN 0.350 nan 8.290 nan 0.000 0.552 28 M N 0.426 119.928 119.600 -0.163 0.000 2.082 28 M HA -0.076 4.404 4.480 -0.000 0.000 0.258 28 M C 2.783 178.959 176.300 -0.208 0.000 1.069 28 M CA 0.866 56.044 55.300 -0.204 0.000 1.102 28 M CB -1.373 31.037 32.600 -0.316 0.000 1.336 28 M HN 0.127 nan 8.290 nan 0.000 0.404 29 V N 0.334 120.075 119.914 -0.288 0.000 2.233 29 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 29 V C 2.654 178.738 176.094 -0.016 0.000 1.050 29 V CA 2.262 64.454 62.300 -0.179 0.000 1.010 29 V CB -1.770 29.977 31.823 -0.125 0.000 0.637 29 V HN 0.587 nan 8.190 nan 0.000 0.444 30 G N -0.718 108.108 108.800 0.043 0.000 2.450 30 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 30 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 30 G C 1.640 176.629 174.900 0.149 0.000 1.130 30 G CA 1.624 46.798 45.100 0.124 0.000 0.760 30 G HN 0.502 nan 8.290 nan 0.000 0.557 31 T N 1.561 116.150 114.554 0.058 0.000 2.708 31 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 31 T C 2.836 177.543 174.700 0.012 0.000 1.037 31 T CA 1.507 63.635 62.100 0.046 0.000 1.146 31 T CB -0.375 68.492 68.868 -0.001 0.000 0.865 31 T HN 0.386 nan 8.240 nan 0.000 0.435 32 A N 1.337 124.144 122.820 -0.022 0.000 1.877 32 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 32 A C 2.328 179.899 177.584 -0.021 0.000 1.186 32 A CA 1.260 53.271 52.037 -0.043 0.000 0.620 32 A CB -0.974 17.993 19.000 -0.055 0.000 0.822 32 A HN 0.455 nan 8.150 nan 0.000 0.443 33 L N 0.530 121.765 121.223 0.019 0.000 2.043 33 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 33 L C 3.069 179.901 176.870 -0.064 0.000 1.075 33 L CA 1.813 56.661 54.840 0.013 0.000 0.752 33 L CB -0.542 41.573 42.059 0.094 0.000 0.891 33 L HN 0.641 nan 8.230 nan 0.000 0.432 34 S N -0.254 115.440 115.700 -0.010 0.000 2.382 34 S HA -0.194 4.276 4.470 -0.000 0.000 0.228 34 S C 1.934 176.470 174.600 -0.107 0.000 1.027 34 S CA 1.068 59.182 58.200 -0.143 0.000 0.991 34 S CB -0.568 62.706 63.200 0.123 0.000 0.823 34 S HN 0.291 nan 8.310 nan 0.000 0.469 35 L N 0.547 121.718 121.223 -0.085 0.000 2.217 35 L HA 0.232 4.572 4.340 -0.000 0.000 0.211 35 L C 2.411 179.246 176.870 -0.058 0.000 1.107 35 L CA 0.855 55.617 54.840 -0.130 0.000 0.783 35 L CB -0.349 41.572 42.059 -0.230 0.000 0.919 35 L HN 0.328 nan 8.230 nan 0.000 0.442 36 L N -1.211 119.994 121.223 -0.030 0.000 2.044 36 L HA -0.210 4.130 4.340 -0.000 0.000 0.205 36 L C 2.338 179.247 176.870 0.066 0.000 1.075 36 L CA 1.222 56.077 54.840 0.026 0.000 0.747 36 L CB -0.435 41.634 42.059 0.017 0.000 0.903 36 L HN 0.159 nan 8.230 nan 0.000 0.435 37 I N -0.464 120.109 120.570 0.004 0.000 2.145 37 I HA -0.354 3.816 4.170 -0.000 0.000 0.244 37 I C 2.683 178.904 176.117 0.173 0.000 1.075 37 I CA 1.285 62.629 61.300 0.073 0.000 1.332 37 I CB -0.433 37.513 38.000 -0.091 0.000 1.033 37 I HN 0.290 nan 8.210 nan 0.000 0.410 38 R N 0.777 121.331 120.500 0.090 0.000 2.119 38 R HA 0.057 4.397 4.340 -0.000 0.000 0.222 38 R C 2.305 178.707 176.300 0.169 0.000 1.088 38 R CA 1.270 57.438 56.100 0.113 0.000 0.984 38 R CB -0.943 29.398 30.300 0.067 0.000 0.884 38 R HN 0.389 nan 8.270 nan 0.000 0.447 39 A N 1.348 124.277 122.820 0.182 0.000 2.019 39 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 39 A C 2.082 179.762 177.584 0.160 0.000 1.164 39 A CA 1.772 53.932 52.037 0.205 0.000 0.644 39 A CB -0.228 18.889 19.000 0.195 0.000 0.805 39 A HN 0.295 nan 8.150 nan 0.000 0.449 40 E N -0.178 120.127 120.200 0.175 0.000 2.170 40 E HA 0.028 4.378 4.350 -0.000 0.000 0.191 40 E C 1.398 178.086 176.600 0.147 0.000 0.981 40 E CA 0.874 57.372 56.400 0.164 0.000 0.830 40 E CB -0.274 29.580 29.700 0.256 0.000 0.775 40 E HN 0.537 nan 8.360 nan 0.000 0.470 41 L N -0.641 120.697 121.223 0.190 0.000 2.640 41 L HA 0.371 4.711 4.340 -0.000 0.000 0.230 41 L C 1.854 178.866 176.870 0.237 0.000 1.123 41 L CA 0.330 55.317 54.840 0.245 0.000 0.900 41 L CB 0.534 42.699 42.059 0.176 0.000 1.146 41 L HN 0.214 nan 8.230 nan 0.000 0.484 42 G N -0.511 108.389 108.800 0.167 0.000 2.848 42 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.208 42 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.208 42 G C 0.444 175.422 174.900 0.130 0.000 1.152 42 G CA 0.139 45.316 45.100 0.129 0.000 0.789 42 G HN 0.351 nan 8.290 nan 0.000 0.531 43 Q N 0.100 119.994 119.800 0.156 0.000 2.327 43 Q HA 0.293 4.633 4.340 -0.000 0.000 0.265 43 Q C -2.961 173.045 176.000 0.009 0.000 0.993 43 Q CA -1.837 54.018 55.803 0.087 0.000 0.885 43 Q CB 2.984 31.739 28.738 0.028 0.000 1.379 43 Q HN -0.018 nan 8.270 nan 0.000 0.408 44 P HA 0.260 nan 4.420 nan 0.000 0.265 44 P C 0.184 177.338 177.300 -0.243 0.000 1.193 44 P CA 1.152 64.025 63.100 -0.379 0.000 0.765 44 P CB 0.755 32.280 31.700 -0.291 0.000 0.823 45 G N 2.007 110.637 108.800 -0.284 0.000 2.331 45 G HA2 0.154 4.114 3.960 -0.000 0.000 0.479 45 G HA3 0.154 4.114 3.960 -0.000 0.000 0.479 45 G C -1.010 173.812 174.900 -0.130 0.000 1.262 45 G CA -0.247 44.753 45.100 -0.167 0.000 1.029 45 G HN 0.781 nan 8.290 nan 0.000 0.487 46 T N -1.444 113.060 114.554 -0.084 0.000 2.812 46 T HA 0.641 4.991 4.350 -0.000 0.000 0.282 46 T C 0.755 175.442 174.700 -0.022 0.000 0.990 46 T CA 0.122 62.187 62.100 -0.058 0.000 0.960 46 T CB 1.996 70.831 68.868 -0.056 0.000 0.948 46 T HN 1.482 nan 8.240 nan 0.000 0.438 47 L N 3.037 124.263 121.223 0.005 0.000 2.347 47 L HA 0.459 4.799 4.340 -0.000 0.000 0.196 47 L C 1.800 178.694 176.870 0.040 0.000 1.072 47 L CA 0.733 55.590 54.840 0.027 0.000 0.817 47 L CB -0.437 41.653 42.059 0.052 0.000 1.029 47 L HN 0.770 nan 8.230 nan 0.000 0.478 48 L N -0.910 120.350 121.223 0.061 0.000 2.071 48 L HA 0.365 4.705 4.340 -0.000 0.000 0.201 48 L C 1.288 178.190 176.870 0.054 0.000 1.076 48 L CA 0.746 55.629 54.840 0.071 0.000 0.755 48 L CB -0.644 41.485 42.059 0.116 0.000 0.915 48 L HN 0.493 nan 8.230 nan 0.000 0.445 49 G N -0.856 107.975 108.800 0.052 0.000 2.452 49 G HA2 0.042 4.002 3.960 -0.000 0.000 0.224 49 G HA3 0.042 4.002 3.960 -0.000 0.000 0.224 49 G C -1.840 173.078 174.900 0.029 0.000 1.208 49 G CA -0.165 44.956 45.100 0.034 0.000 0.946 49 G HN 0.188 nan 8.290 nan 0.000 0.481 50 D N 0.232 120.649 120.400 0.028 0.000 2.361 50 D HA 0.236 4.876 4.640 -0.000 0.000 0.239 50 D C 0.473 176.811 176.300 0.064 0.000 1.200 50 D CA -0.155 53.857 54.000 0.020 0.000 0.915 50 D CB 0.410 41.217 40.800 0.012 0.000 1.170 50 D HN 0.201 nan 8.370 nan 0.000 0.444 51 D N -0.616 119.813 120.400 0.048 0.000 2.322 51 D HA -0.191 4.449 4.640 -0.000 0.000 0.210 51 D C 1.606 178.018 176.300 0.186 0.000 0.983 51 D CA 1.066 55.144 54.000 0.130 0.000 0.902 51 D CB -0.032 40.816 40.800 0.081 0.000 0.905 51 D HN 0.524 nan 8.370 nan 0.000 0.483 52 Q N 0.291 120.162 119.800 0.119 0.000 2.020 52 Q HA -0.083 4.257 4.340 -0.000 0.000 0.198 52 Q C 1.971 178.049 176.000 0.129 0.000 0.974 52 Q CA 0.839 56.709 55.803 0.112 0.000 0.829 52 Q CB -0.406 28.366 28.738 0.057 0.000 0.894 52 Q HN 0.268 nan 8.270 nan 0.000 0.433 53 I N 0.093 120.736 120.570 0.122 0.000 2.546 53 I HA -0.137 4.033 4.170 -0.000 0.000 0.255 53 I C 1.834 178.039 176.117 0.145 0.000 1.163 53 I CA 1.053 62.421 61.300 0.114 0.000 1.457 53 I CB -0.460 37.596 38.000 0.094 0.000 1.092 53 I HN 0.415 nan 8.210 nan 0.000 0.434 54 Y N 1.220 121.555 120.300 0.057 0.000 2.130 54 Y HA -0.167 4.383 4.550 -0.000 0.000 0.287 54 Y C 2.296 178.240 175.900 0.075 0.000 1.124 54 Y CA 1.857 59.996 58.100 0.065 0.000 1.118 54 Y CB -0.590 37.913 38.460 0.071 0.000 0.994 54 Y HN 0.163 nan 8.280 nan 0.000 0.497 55 N N 0.129 118.899 118.700 0.117 0.000 2.443 55 N HA -0.150 4.590 4.740 -0.000 0.000 0.184 55 N C 1.860 177.362 175.510 -0.013 0.000 1.037 55 N CA 1.166 54.222 53.050 0.010 0.000 0.896 55 N CB -0.087 38.499 38.487 0.164 0.000 0.959 55 N HN 0.318 nan 8.380 nan 0.000 0.442 56 V N 0.554 120.486 119.914 0.031 0.000 2.358 56 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 56 V C 2.362 178.460 176.094 0.006 0.000 1.047 56 V CA 1.002 63.332 62.300 0.049 0.000 1.035 56 V CB -0.175 31.695 31.823 0.078 0.000 0.658 56 V HN 0.024 nan 8.190 nan 0.000 0.452 57 V N -0.568 119.315 119.914 -0.052 0.000 2.295 57 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 57 V C 2.416 178.443 176.094 -0.113 0.000 1.049 57 V CA 1.981 64.234 62.300 -0.079 0.000 1.024 57 V CB -0.454 31.297 31.823 -0.120 0.000 0.648 57 V HN 0.389 nan 8.190 nan 0.000 0.447 58 V N 0.038 119.809 119.914 -0.238 0.000 2.255 58 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 58 V C 2.612 178.690 176.094 -0.028 0.000 1.051 58 V CA 2.851 65.042 62.300 -0.181 0.000 1.018 58 V CB -0.925 30.762 31.823 -0.228 0.000 0.641 58 V HN 0.654 nan 8.190 nan 0.000 0.445 59 T N 0.312 114.835 114.554 -0.051 0.000 2.684 59 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 59 T C 1.999 176.655 174.700 -0.073 0.000 1.036 59 T CA 1.651 63.680 62.100 -0.118 0.000 1.148 59 T CB -0.531 68.286 68.868 -0.086 0.000 0.863 59 T HN 0.584 nan 8.240 nan 0.000 0.436 60 A N 1.259 124.129 122.820 0.084 0.000 2.024 60 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 60 A C 2.102 179.832 177.584 0.243 0.000 1.164 60 A CA 1.802 53.967 52.037 0.213 0.000 0.643 60 A CB -0.895 18.213 19.000 0.180 0.000 0.806 60 A HN 0.751 nan 8.150 nan 0.000 0.451 61 H N -0.140 118.954 119.070 0.039 0.000 2.276 61 H HA -0.040 4.516 4.556 -0.000 0.000 0.301 61 H C 2.325 177.662 175.328 0.014 0.000 1.073 61 H CA 1.579 57.652 56.048 0.042 0.000 1.311 61 H CB -0.273 29.501 29.762 0.019 0.000 1.379 61 H HN 0.385 nan 8.280 nan 0.000 0.494 62 A N 1.175 123.994 122.820 -0.001 0.000 1.873 62 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 62 A C 2.319 179.813 177.584 -0.149 0.000 1.193 62 A CA 1.902 53.756 52.037 -0.306 0.000 0.629 62 A CB -1.236 17.487 19.000 -0.462 0.000 0.826 62 A HN 0.416 nan 8.150 nan 0.000 0.447 63 F N -0.104 119.913 119.950 0.113 0.000 2.134 63 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 63 F C 2.571 178.506 175.800 0.225 0.000 1.097 63 F CA 1.002 59.124 58.000 0.204 0.000 1.264 63 F CB -1.155 37.997 39.000 0.253 0.000 1.001 63 F HN 0.029 nan 8.300 nan 0.000 0.479 64 V N -0.331 119.881 119.914 0.497 0.000 2.295 64 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 64 V C 2.520 178.729 176.094 0.191 0.000 1.049 64 V CA 1.495 64.086 62.300 0.485 0.000 1.024 64 V CB -0.581 31.495 31.823 0.421 0.000 0.648 64 V HN 0.209 nan 8.190 nan 0.000 0.447 65 M N -0.829 118.785 119.600 0.024 0.000 2.086 65 M HA -0.095 4.385 4.480 -0.000 0.000 0.261 65 M C 2.158 178.388 176.300 -0.117 0.000 1.067 65 M CA 1.951 57.194 55.300 -0.095 0.000 1.116 65 M CB -0.949 31.485 32.600 -0.277 0.000 1.348 65 M HN 0.267 nan 8.290 nan 0.000 0.407 66 I N -0.641 119.838 120.570 -0.152 0.000 2.086 66 I HA -0.281 3.889 4.170 -0.000 0.000 0.233 66 I C 2.218 178.173 176.117 -0.270 0.000 1.060 66 I CA 1.424 62.575 61.300 -0.249 0.000 1.326 66 I CB -0.497 37.303 38.000 -0.334 0.000 1.067 66 I HN 0.047 nan 8.210 nan 0.000 0.398 67 F N -0.095 119.685 119.950 -0.283 0.000 2.293 67 F HA -0.121 4.406 4.527 0.000 0.000 0.300 67 F C 1.916 177.338 175.800 -0.631 0.000 1.086 67 F CA 1.194 58.887 58.000 -0.512 0.000 1.375 67 F CB -0.428 38.095 39.000 -0.796 0.000 1.045 67 F HN -0.013 nan 8.300 nan 0.000 0.516 68 F N -2.073 117.994 119.950 0.195 0.000 2.678 68 F HA 0.197 4.724 4.527 -0.000 0.000 0.291 68 F C 1.960 177.825 175.800 0.109 0.000 1.123 68 F CA 0.129 58.199 58.000 0.117 0.000 1.395 68 F CB -0.376 38.427 39.000 -0.328 0.000 1.121 68 F HN -0.087 nan 8.300 nan 0.000 0.592 69 M N -0.792 118.895 119.600 0.145 0.000 2.935 69 M HA 0.050 4.530 4.480 -0.000 0.000 0.213 69 M C 1.913 178.265 176.300 0.085 0.000 1.427 69 M CA 0.977 56.343 55.300 0.110 0.000 1.367 69 M CB -0.511 32.116 32.600 0.046 0.000 1.038 69 M HN -0.148 nan 8.290 nan 0.000 0.547 70 V N 2.116 122.034 119.914 0.008 0.000 2.231 70 V HA -0.370 3.750 4.120 -0.000 0.000 0.250 70 V C 2.609 178.694 176.094 -0.014 0.000 1.058 70 V CA 2.551 64.842 62.300 -0.015 0.000 1.022 70 V CB -0.831 30.937 31.823 -0.092 0.000 0.640 70 V HN 0.585 nan 8.190 nan 0.000 0.445 71 M N -0.816 118.739 119.600 -0.076 0.000 2.065 71 M HA -0.146 4.334 4.480 -0.000 0.000 0.259 71 M C 0.104 176.397 176.300 -0.010 0.000 1.069 71 M CA 2.409 57.657 55.300 -0.086 0.000 1.110 71 M CB -1.788 30.707 32.600 -0.175 0.000 1.328 71 M HN 0.309 nan 8.290 nan 0.000 0.405 72 P HA -0.101 nan 4.420 nan 0.000 0.215 72 P C 1.506 178.876 177.300 0.116 0.000 1.157 72 P CA 1.328 64.535 63.100 0.179 0.000 0.863 72 P CB -0.124 31.855 31.700 0.464 0.000 0.787 73 I N -1.673 119.004 120.570 0.177 0.000 2.113 73 I HA -0.266 3.904 4.170 -0.000 0.000 0.238 73 I C 2.455 178.737 176.117 0.275 0.000 1.070 73 I CA 1.737 63.153 61.300 0.192 0.000 1.332 73 I CB -0.580 37.549 38.000 0.215 0.000 1.044 73 I HN -0.097 nan 8.210 nan 0.000 0.402 74 M N -0.141 119.611 119.600 0.253 0.000 2.132 74 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 74 M C 2.288 178.709 176.300 0.201 0.000 1.065 74 M CA 1.944 57.423 55.300 0.299 0.000 1.122 74 M CB -0.328 32.353 32.600 0.134 0.000 1.365 74 M HN 0.225 nan 8.290 nan 0.000 0.411 75 I N -0.881 119.694 120.570 0.009 0.000 2.556 75 I HA 0.026 4.196 4.170 -0.000 0.000 0.251 75 I C 2.619 178.652 176.117 -0.140 0.000 1.105 75 I CA 0.898 62.118 61.300 -0.133 0.000 1.436 75 I CB -0.786 37.068 38.000 -0.243 0.000 1.139 75 I HN 0.272 nan 8.210 nan 0.000 0.438 76 G N 0.612 109.175 108.800 -0.395 0.000 2.421 76 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.217 76 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.217 76 G C 1.523 176.153 174.900 -0.449 0.000 1.143 76 G CA 0.817 45.294 45.100 -1.039 0.000 0.784 76 G HN 0.467 nan 8.290 nan 0.000 0.541 77 G N 0.534 109.251 108.800 -0.138 0.000 2.624 77 G HA2 0.094 4.054 3.960 -0.000 0.000 0.216 77 G HA3 0.094 4.054 3.960 -0.000 0.000 0.216 77 G C 1.424 176.304 174.900 -0.032 0.000 1.274 77 G CA 0.365 45.432 45.100 -0.054 0.000 0.856 77 G HN 0.211 nan 8.290 nan 0.000 0.555 78 F N 2.062 122.082 119.950 0.118 0.000 2.202 78 F HA 0.028 4.555 4.527 -0.000 0.000 0.301 78 F C 2.862 178.823 175.800 0.268 0.000 1.082 78 F CA 1.002 59.066 58.000 0.105 0.000 1.313 78 F CB -0.601 38.412 39.000 0.021 0.000 1.024 78 F HN 0.220 nan 8.300 nan 0.000 0.495 79 G N -0.194 108.875 108.800 0.447 0.000 2.433 79 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 79 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 79 G C 1.748 176.950 174.900 0.504 0.000 1.186 79 G CA 0.877 46.229 45.100 0.420 0.000 0.779 79 G HN 0.239 nan 8.290 nan 0.000 0.543 80 N N -0.245 118.661 118.700 0.343 0.000 2.142 80 N HA -0.081 4.659 4.740 -0.000 0.000 0.186 80 N C 1.905 177.550 175.510 0.225 0.000 1.023 80 N CA 0.799 53.949 53.050 0.168 0.000 0.852 80 N CB -0.246 38.276 38.487 0.058 0.000 0.998 80 N HN 0.558 nan 8.380 nan 0.000 0.424 81 W N 1.548 122.891 121.300 0.071 0.000 2.352 81 W HA -0.037 4.623 4.660 -0.000 0.000 0.322 81 W C 2.224 178.834 176.519 0.152 0.000 1.208 81 W CA 0.759 58.131 57.345 0.046 0.000 1.286 81 W CB -0.401 28.914 29.460 -0.242 0.000 1.167 81 W HN -0.006 nan 8.180 nan 0.000 0.469 82 L N -1.072 120.396 121.223 0.409 0.000 2.131 82 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 82 L C 2.071 179.065 176.870 0.207 0.000 1.087 82 L CA 0.395 55.358 54.840 0.205 0.000 0.767 82 L CB -1.495 40.494 42.059 -0.116 0.000 0.917 82 L HN -0.142 nan 8.230 nan 0.000 0.441 83 V N 0.722 120.784 119.914 0.246 0.000 2.231 83 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 83 V C -0.014 176.061 176.094 -0.032 0.000 1.054 83 V CA 2.309 64.688 62.300 0.131 0.000 1.015 83 V CB -1.603 30.323 31.823 0.172 0.000 0.638 83 V HN 0.331 nan 8.190 nan 0.000 0.444 84 P HA -0.108 nan 4.420 nan 0.000 0.219 84 P C 1.784 178.973 177.300 -0.185 0.000 1.146 84 P CA 1.316 64.212 63.100 -0.341 0.000 0.808 84 P CB -0.062 31.141 31.700 -0.830 0.000 0.779 85 L N -2.217 119.019 121.223 0.021 0.000 2.156 85 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 85 L C 2.359 179.302 176.870 0.122 0.000 1.095 85 L CA 1.221 56.200 54.840 0.231 0.000 0.770 85 L CB -0.808 41.442 42.059 0.319 0.000 0.914 85 L HN -0.020 nan 8.230 nan 0.000 0.439 86 M N 0.066 119.716 119.600 0.084 0.000 2.394 86 M HA -0.049 4.431 4.480 -0.000 0.000 0.264 86 M C 1.836 178.139 176.300 0.005 0.000 1.073 86 M CA 1.457 56.823 55.300 0.110 0.000 1.111 86 M CB -0.096 32.620 32.600 0.194 0.000 1.401 86 M HN 0.336 nan 8.290 nan 0.000 0.448 87 I N -3.788 116.711 120.570 -0.119 0.000 4.025 87 I HA 0.483 4.653 4.170 -0.000 0.000 0.336 87 I C 0.876 176.771 176.117 -0.372 0.000 1.390 87 I CA 0.003 61.190 61.300 -0.188 0.000 1.099 87 I CB -0.130 37.766 38.000 -0.173 0.000 1.049 87 I HN 0.325 nan 8.210 nan 0.000 0.394 88 G N 1.949 110.345 108.800 -0.674 0.000 2.198 88 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.260 88 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.260 88 G C 0.293 174.544 174.900 -1.082 0.000 1.025 88 G CA 0.142 44.348 45.100 -1.490 0.000 0.769 88 G HN 0.934 nan 8.290 nan 0.000 0.507 89 A N 0.224 122.669 122.820 -0.626 0.000 2.316 89 A HA 0.829 5.149 4.320 -0.000 0.000 0.284 89 A C -0.047 177.463 177.584 -0.124 0.000 1.115 89 A CA -0.812 51.033 52.037 -0.319 0.000 0.812 89 A CB 1.005 19.840 19.000 -0.275 0.000 1.064 89 A HN 0.112 nan 8.150 nan 0.000 0.489 90 P HA -0.023 nan 4.420 nan 0.000 0.221 90 P C 0.079 177.403 177.300 0.040 0.000 1.150 90 P CA 1.551 64.702 63.100 0.086 0.000 0.800 90 P CB 0.213 31.942 31.700 0.047 0.000 0.787 91 D N -3.845 116.495 120.400 -0.100 0.000 3.250 91 D HA 0.160 4.800 4.640 -0.000 0.000 0.360 91 D C -0.724 175.425 176.300 -0.251 0.000 1.486 91 D CA -0.627 53.281 54.000 -0.154 0.000 0.835 91 D CB -0.077 40.708 40.800 -0.027 0.000 1.444 91 D HN -0.364 nan 8.370 nan 0.000 0.513 92 M N 0.767 120.223 119.600 -0.239 0.000 2.159 92 M HA 0.459 4.939 4.480 -0.000 0.000 0.293 92 M C 1.070 177.184 176.300 -0.311 0.000 1.186 92 M CA -0.030 55.090 55.300 -0.300 0.000 1.073 92 M CB 0.583 33.001 32.600 -0.304 0.000 1.419 92 M HN 0.649 nan 8.290 nan 0.000 0.490 93 A N 0.760 123.302 122.820 -0.464 0.000 1.873 93 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 93 A C 0.565 177.741 177.584 -0.681 0.000 1.186 93 A CA 1.448 53.056 52.037 -0.715 0.000 0.616 93 A CB -0.214 18.081 19.000 -1.175 0.000 0.823 93 A HN 0.592 nan 8.150 nan 0.000 0.442 94 F N -0.723 119.172 119.950 -0.090 0.000 2.389 94 F HA 0.378 4.905 4.527 0.000 0.000 0.327 94 F C -2.039 173.725 175.800 -0.061 0.000 1.204 94 F CA -2.859 55.103 58.000 -0.064 0.000 1.209 94 F CB 0.624 39.593 39.000 -0.052 0.000 1.460 94 F HN 0.059 nan 8.300 nan 0.000 0.537 95 P HA -0.221 nan 4.420 nan 0.000 0.216 95 P C 1.956 179.284 177.300 0.046 0.000 1.157 95 P CA 1.720 64.830 63.100 0.017 0.000 0.880 95 P CB 0.285 31.986 31.700 0.001 0.000 0.791 96 R N -1.084 119.454 120.500 0.063 0.000 2.066 96 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 96 R C 2.405 178.746 176.300 0.067 0.000 1.131 96 R CA 1.616 57.747 56.100 0.052 0.000 0.955 96 R CB -0.824 29.494 30.300 0.030 0.000 0.851 96 R HN 0.163 nan 8.270 nan 0.000 0.432 97 M N 0.861 120.507 119.600 0.077 0.000 2.108 97 M HA -0.238 4.242 4.480 -0.000 0.000 0.261 97 M C 1.796 178.154 176.300 0.096 0.000 1.066 97 M CA 1.976 57.316 55.300 0.068 0.000 1.107 97 M CB -0.255 32.372 32.600 0.045 0.000 1.356 97 M HN 0.034 nan 8.290 nan 0.000 0.406 98 N N 0.740 119.501 118.700 0.102 0.000 2.104 98 N HA -0.243 4.497 4.740 -0.000 0.000 0.190 98 N C 1.379 176.967 175.510 0.131 0.000 1.024 98 N CA 2.107 55.213 53.050 0.094 0.000 0.853 98 N CB -0.488 38.015 38.487 0.027 0.000 1.008 98 N HN 0.457 nan 8.380 nan 0.000 0.424 99 N N -0.050 118.724 118.700 0.124 0.000 2.166 99 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 99 N C 1.728 177.397 175.510 0.264 0.000 1.019 99 N CA 1.135 54.300 53.050 0.192 0.000 0.856 99 N CB -0.264 38.348 38.487 0.209 0.000 0.993 99 N HN 0.459 nan 8.380 nan 0.000 0.426 100 M N -0.604 119.111 119.600 0.192 0.000 2.229 100 M HA -0.049 4.431 4.480 -0.000 0.000 0.264 100 M C 1.643 178.021 176.300 0.130 0.000 1.063 100 M CA 1.172 56.577 55.300 0.175 0.000 1.114 100 M CB -0.026 32.634 32.600 0.100 0.000 1.387 100 M HN 0.000 nan 8.290 nan 0.000 0.420 101 S N 0.342 116.123 115.700 0.135 0.000 2.400 101 S HA -0.152 4.318 4.470 -0.000 0.000 0.232 101 S C 1.434 176.092 174.600 0.098 0.000 1.025 101 S CA 1.470 59.760 58.200 0.151 0.000 0.993 101 S CB -0.558 62.778 63.200 0.226 0.000 0.808 101 S HN 0.659 nan 8.310 nan 0.000 0.478 102 F N 0.572 120.429 119.950 -0.155 0.000 2.118 102 F HA 0.084 4.611 4.527 -0.000 0.000 0.293 102 F C 1.479 176.939 175.800 -0.567 0.000 1.102 102 F CA 0.624 58.248 58.000 -0.627 0.000 1.247 102 F CB -0.620 37.777 39.000 -1.006 0.000 1.017 102 F HN 0.177 nan 8.300 nan 0.000 0.475 103 W N 0.747 121.843 121.300 -0.340 0.000 2.632 103 W HA -0.044 4.616 4.660 -0.000 0.000 0.248 103 W C 1.800 178.143 176.519 -0.294 0.000 1.259 103 W CA 0.395 57.530 57.345 -0.351 0.000 1.288 103 W CB -0.373 29.047 29.460 -0.067 0.000 1.136 103 W HN 0.083 nan 8.180 nan 0.000 0.640 104 L N -0.951 120.200 121.223 -0.120 0.000 2.446 104 L HA -0.099 4.241 4.340 -0.000 0.000 0.219 104 L C 2.082 178.888 176.870 -0.107 0.000 1.116 104 L CA -0.018 54.794 54.840 -0.048 0.000 0.844 104 L CB -0.347 41.715 42.059 0.005 0.000 0.970 104 L HN -0.010 nan 8.230 nan 0.000 0.457 105 L N 0.536 121.543 121.223 -0.360 0.000 1.976 105 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 105 L C -0.245 176.522 176.870 -0.173 0.000 1.071 105 L CA 2.260 56.861 54.840 -0.399 0.000 0.746 105 L CB -1.789 39.630 42.059 -1.066 0.000 0.890 105 L HN 0.059 nan 8.230 nan 0.000 0.432 106 P HA -0.125 nan 4.420 nan 0.000 0.215 106 P C -1.328 176.068 177.300 0.160 0.000 1.157 106 P CA 1.908 65.120 63.100 0.186 0.000 0.874 106 P CB -0.897 30.880 31.700 0.127 0.000 0.790 107 P HA -0.152 nan 4.420 nan 0.000 0.215 107 P C 1.906 179.274 177.300 0.112 0.000 1.157 107 P CA 1.768 64.921 63.100 0.089 0.000 0.868 107 P CB -0.485 31.256 31.700 0.068 0.000 0.788 108 S N -1.884 113.903 115.700 0.145 0.000 2.383 108 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 108 S C 1.807 176.536 174.600 0.214 0.000 1.030 108 S CA 0.922 59.255 58.200 0.221 0.000 1.002 108 S CB -0.977 62.419 63.200 0.327 0.000 0.829 108 S HN -0.077 nan 8.310 nan 0.000 0.467 109 F N 1.585 121.449 119.950 -0.144 0.000 2.206 109 F HA 0.150 4.677 4.527 -0.000 0.000 0.298 109 F C 1.805 177.509 175.800 -0.160 0.000 1.090 109 F CA 0.499 58.229 58.000 -0.450 0.000 1.323 109 F CB -0.959 37.824 39.000 -0.361 0.000 1.028 109 F HN 0.276 nan 8.300 nan 0.000 0.492 110 L N 0.150 121.369 121.223 -0.008 0.000 2.017 110 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 110 L C 2.220 179.072 176.870 -0.029 0.000 1.073 110 L CA 1.778 56.578 54.840 -0.067 0.000 0.745 110 L CB -0.965 41.092 42.059 -0.004 0.000 0.894 110 L HN 0.131 nan 8.230 nan 0.000 0.432 111 L N -1.238 120.010 121.223 0.041 0.000 2.042 111 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 111 L C 2.537 179.450 176.870 0.073 0.000 1.076 111 L CA 1.367 56.253 54.840 0.076 0.000 0.749 111 L CB -0.779 41.357 42.059 0.129 0.000 0.893 111 L HN 0.359 nan 8.230 nan 0.000 0.432 112 L N -0.407 120.867 121.223 0.086 0.000 2.083 112 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 112 L C 2.318 179.222 176.870 0.057 0.000 1.083 112 L CA 1.627 56.543 54.840 0.127 0.000 0.752 112 L CB -0.250 41.978 42.059 0.281 0.000 0.899 112 L HN 0.110 nan 8.230 nan 0.000 0.433 113 L N -0.911 120.267 121.223 -0.075 0.000 2.005 113 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 113 L C 2.695 179.551 176.870 -0.025 0.000 1.072 113 L CA 1.157 55.933 54.840 -0.105 0.000 0.744 113 L CB -0.969 40.951 42.059 -0.231 0.000 0.895 113 L HN 0.350 nan 8.230 nan 0.000 0.433 114 A N 0.230 123.042 122.820 -0.013 0.000 1.978 114 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 114 A C 2.521 180.130 177.584 0.043 0.000 1.170 114 A CA 2.063 54.111 52.037 0.017 0.000 0.636 114 A CB -0.707 18.308 19.000 0.026 0.000 0.810 114 A HN 0.564 nan 8.150 nan 0.000 0.448 115 S N 0.491 116.226 115.700 0.059 0.000 2.382 115 S HA -0.168 4.302 4.470 -0.000 0.000 0.228 115 S C 1.963 176.609 174.600 0.077 0.000 1.027 115 S CA 1.860 60.106 58.200 0.076 0.000 0.991 115 S CB -0.814 62.440 63.200 0.091 0.000 0.823 115 S HN 0.988 nan 8.310 nan 0.000 0.469 116 S N 0.283 116.026 115.700 0.071 0.000 2.558 116 S HA 0.254 4.724 4.470 -0.000 0.000 0.217 116 S C 1.771 176.402 174.600 0.051 0.000 0.975 116 S CA 0.104 58.346 58.200 0.069 0.000 0.912 116 S CB -0.298 62.944 63.200 0.069 0.000 0.776 116 S HN 0.373 nan 8.310 nan 0.000 0.526 117 M N 2.098 121.722 119.600 0.041 0.000 2.171 117 M HA 0.195 4.675 4.480 -0.000 0.000 0.260 117 M C 1.333 177.656 176.300 0.038 0.000 1.087 117 M CA 0.679 55.998 55.300 0.033 0.000 1.154 117 M CB -1.042 31.571 32.600 0.022 0.000 1.331 117 M HN 0.407 nan 8.290 nan 0.000 0.431 118 V N 0.524 120.465 119.914 0.044 0.000 2.963 118 V HA 0.097 4.217 4.120 -0.000 0.000 0.306 118 V C 0.873 176.998 176.094 0.052 0.000 1.077 118 V CA -0.902 61.426 62.300 0.046 0.000 1.124 118 V CB 0.107 31.960 31.823 0.051 0.000 0.987 118 V HN 0.657 nan 8.190 nan 0.000 0.487 119 E N 2.622 122.850 120.200 0.046 0.000 3.521 119 E HA -0.368 3.982 4.350 -0.000 0.000 0.371 119 E C 1.038 177.666 176.600 0.046 0.000 1.564 119 E CA 2.051 58.478 56.400 0.044 0.000 1.834 119 E CB -1.658 28.073 29.700 0.053 0.000 1.742 119 E HN 1.518 nan 8.360 nan 0.000 0.445 120 A N 1.661 124.512 122.820 0.052 0.000 2.423 120 A HA 0.479 4.799 4.320 -0.000 0.000 0.246 120 A C 1.001 178.640 177.584 0.092 0.000 1.278 120 A CA 1.482 53.552 52.037 0.054 0.000 0.903 120 A CB -0.271 18.743 19.000 0.023 0.000 0.997 120 A HN 1.332 nan 8.150 nan 0.000 0.510 121 G N -1.099 107.765 108.800 0.106 0.000 2.796 121 G HA2 0.232 4.192 3.960 -0.000 0.000 0.226 121 G HA3 0.232 4.192 3.960 -0.000 0.000 0.226 121 G C 0.242 175.258 174.900 0.192 0.000 1.381 121 G CA -0.281 44.894 45.100 0.125 0.000 0.867 121 G HN 1.704 nan 8.290 nan 0.000 0.552 122 A N 0.419 123.327 122.820 0.148 0.000 3.000 122 A HA 0.696 5.016 4.320 -0.000 0.000 0.315 122 A C 1.005 178.632 177.584 0.073 0.000 1.434 122 A CA 0.951 53.029 52.037 0.067 0.000 1.108 122 A CB -0.237 18.761 19.000 -0.002 0.000 1.171 122 A HN 2.277 nan 8.150 nan 0.000 0.524 123 G N 1.111 110.084 108.800 0.288 0.000 2.821 123 G HA2 0.358 4.318 3.960 -0.000 0.000 0.289 123 G HA3 0.358 4.318 3.960 -0.000 0.000 0.289 123 G C 0.755 175.730 174.900 0.124 0.000 0.771 123 G CA 0.661 45.878 45.100 0.195 0.000 1.908 123 G HN 0.824 nan 8.290 nan 0.000 0.539 124 T N -1.578 112.947 114.554 -0.048 0.000 3.087 124 T HA 0.506 4.856 4.350 -0.000 0.000 0.283 124 T C 1.009 175.636 174.700 -0.122 0.000 0.956 124 T CA 0.661 62.686 62.100 -0.124 0.000 0.894 124 T CB 0.400 69.096 68.868 -0.287 0.000 1.160 124 T HN 1.807 nan 8.240 nan 0.000 0.532 125 G N 1.765 110.516 108.800 -0.080 0.000 2.705 125 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.686 125 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.686 125 G C 0.337 175.157 174.900 -0.133 0.000 1.285 125 G CA -0.209 44.839 45.100 -0.086 0.000 0.800 125 G HN 0.690 nan 8.290 nan 0.000 0.611 126 W N 0.620 121.705 121.300 -0.358 0.000 2.611 126 W HA -0.026 4.634 4.660 -0.000 0.000 0.251 126 W C 1.510 177.909 176.519 -0.201 0.000 1.265 126 W CA 1.875 58.887 57.345 -0.555 0.000 1.295 126 W CB -1.379 27.728 29.460 -0.588 0.000 1.129 126 W HN 1.049 nan 8.180 nan 0.000 0.630 127 T N -0.616 113.461 114.554 -0.795 0.000 3.118 127 T HA -0.012 4.338 4.350 -0.000 0.000 0.260 127 T C 1.351 175.612 174.700 -0.733 0.000 1.139 127 T CA 0.537 61.883 62.100 -1.256 0.000 1.085 127 T CB -0.720 67.465 68.868 -1.139 0.000 0.934 127 T HN 0.193 nan 8.240 nan 0.000 0.518 128 V N 1.892 121.579 119.914 -0.378 0.000 5.114 128 V HA -0.228 3.892 4.120 -0.000 0.000 0.239 128 V C -0.554 175.315 176.094 -0.375 0.000 0.680 128 V CA 0.258 62.408 62.300 -0.249 0.000 0.660 128 V CB -2.191 29.589 31.823 -0.071 0.000 0.454 128 V HN 0.571 nan 8.190 nan 0.000 0.752 129 Y N 3.012 122.966 120.300 -0.577 0.000 2.379 129 Y HA 0.556 5.106 4.550 -0.000 0.000 0.337 129 Y C -1.064 174.480 175.900 -0.593 0.000 1.238 129 Y CA -2.311 55.339 58.100 -0.750 0.000 1.405 129 Y CB 0.289 38.536 38.460 -0.355 0.000 1.310 129 Y HN 0.339 nan 8.280 nan 0.000 0.569 130 P HA 0.337 nan 4.420 nan 0.000 0.287 130 P C -2.464 174.786 177.300 -0.083 0.000 1.290 130 P CA -2.153 60.804 63.100 -0.239 0.000 0.889 130 P CB 2.327 33.872 31.700 -0.260 0.000 1.190 131 P HA -0.073 nan 4.420 nan 0.000 0.218 131 P C 1.715 179.034 177.300 0.031 0.000 1.149 131 P CA 0.461 63.577 63.100 0.025 0.000 0.817 131 P CB -0.146 31.583 31.700 0.049 0.000 0.785 132 L N 0.416 121.661 121.223 0.037 0.000 2.089 132 L HA -0.194 4.146 4.340 -0.000 0.000 0.213 132 L C 1.949 178.883 176.870 0.108 0.000 1.079 132 L CA 2.189 57.081 54.840 0.088 0.000 0.758 132 L CB -1.563 40.538 42.059 0.070 0.000 0.891 132 L HN -0.060 nan 8.230 nan 0.000 0.433 133 A N -1.097 121.696 122.820 -0.044 0.000 2.238 133 A HA 0.378 4.698 4.320 -0.000 0.000 0.208 133 A C 1.399 178.962 177.584 -0.035 0.000 1.177 133 A CA 0.420 52.383 52.037 -0.124 0.000 0.804 133 A CB -1.250 17.608 19.000 -0.236 0.000 0.823 133 A HN 0.489 nan 8.150 nan 0.000 0.482 134 G N 0.034 108.847 108.800 0.021 0.000 2.651 134 G HA2 0.253 4.213 3.960 -0.000 0.000 0.260 134 G HA3 0.253 4.213 3.960 -0.000 0.000 0.260 134 G C 0.568 175.511 174.900 0.072 0.000 1.216 134 G CA 0.114 45.242 45.100 0.047 0.000 0.913 134 G HN 0.485 nan 8.290 nan 0.000 0.535 135 N N -0.399 118.337 118.700 0.059 0.000 2.609 135 N HA -0.045 4.695 4.740 -0.000 0.000 0.190 135 N C 1.434 176.974 175.510 0.050 0.000 1.157 135 N CA 0.723 53.807 53.050 0.057 0.000 0.918 135 N CB 0.045 38.559 38.487 0.046 0.000 0.978 135 N HN 0.371 nan 8.380 nan 0.000 0.448 136 L N -0.383 120.869 121.223 0.049 0.000 2.379 136 L HA 0.347 4.687 4.340 -0.000 0.000 0.190 136 L C 2.317 179.203 176.870 0.027 0.000 1.111 136 L CA 0.767 55.627 54.840 0.033 0.000 0.820 136 L CB -0.627 41.450 42.059 0.031 0.000 1.046 136 L HN 0.143 nan 8.230 nan 0.000 0.485 137 A N -1.457 121.389 122.820 0.043 0.000 2.024 137 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 137 A C 0.792 178.370 177.584 -0.010 0.000 1.164 137 A CA 1.685 53.741 52.037 0.032 0.000 0.643 137 A CB -0.662 18.387 19.000 0.082 0.000 0.806 137 A HN 0.631 nan 8.150 nan 0.000 0.451 138 H N -1.782 117.294 119.070 0.009 0.000 2.825 138 H HA 0.516 5.072 4.556 -0.000 0.000 0.226 138 H C 0.134 175.469 175.328 0.012 0.000 1.414 138 H CA -0.104 55.950 56.048 0.010 0.000 1.198 138 H CB 0.298 30.062 29.762 0.003 0.000 2.013 138 H HN 0.466 nan 8.280 nan 0.000 0.530 139 A N 0.996 123.857 122.820 0.068 0.000 2.565 139 A HA 0.486 4.806 4.320 -0.000 0.000 0.237 139 A C 1.043 178.663 177.584 0.060 0.000 1.053 139 A CA 1.135 53.205 52.037 0.055 0.000 0.755 139 A CB -0.353 18.664 19.000 0.028 0.000 0.980 139 A HN 0.799 nan 8.150 nan 0.000 0.506 140 G N -0.350 108.487 108.800 0.061 0.000 2.392 140 G HA2 0.435 4.395 3.960 -0.000 0.000 0.677 140 G HA3 0.435 4.395 3.960 -0.000 0.000 0.677 140 G C 0.486 175.426 174.900 0.067 0.000 1.334 140 G CA 0.021 45.158 45.100 0.061 0.000 0.961 140 G HN 1.929 nan 8.290 nan 0.000 0.616 141 A N -0.042 122.818 122.820 0.067 0.000 2.225 141 A HA 0.299 4.619 4.320 -0.000 0.000 0.215 141 A C 2.519 180.147 177.584 0.073 0.000 1.164 141 A CA 2.516 54.597 52.037 0.074 0.000 0.710 141 A CB -0.527 18.519 19.000 0.077 0.000 0.780 141 A HN 1.379 nan 8.150 nan 0.000 0.473 142 S N -0.308 115.439 115.700 0.078 0.000 2.349 142 S HA -0.149 4.321 4.470 -0.000 0.000 0.216 142 S C 1.919 176.546 174.600 0.045 0.000 1.033 142 S CA 1.528 59.776 58.200 0.079 0.000 1.021 142 S CB -0.665 62.604 63.200 0.115 0.000 0.968 142 S HN 0.366 nan 8.310 nan 0.000 0.426 143 V N 3.016 122.942 119.914 0.020 0.000 2.324 143 V HA -0.234 3.886 4.120 -0.000 0.000 0.250 143 V C 2.080 178.122 176.094 -0.086 0.000 1.060 143 V CA 1.961 64.231 62.300 -0.050 0.000 1.042 143 V CB -0.858 30.913 31.823 -0.087 0.000 0.650 143 V HN 0.405 nan 8.190 nan 0.000 0.450 144 D N -0.113 120.240 120.400 -0.079 0.000 2.144 144 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 144 D C 2.138 178.326 176.300 -0.186 0.000 0.984 144 D CA 1.197 55.084 54.000 -0.189 0.000 0.834 144 D CB -0.170 40.579 40.800 -0.085 0.000 0.955 144 D HN 0.367 nan 8.370 nan 0.000 0.465 145 L N 0.415 121.649 121.223 0.017 0.000 2.141 145 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 145 L C 2.537 179.439 176.870 0.054 0.000 1.094 145 L CA 0.917 55.831 54.840 0.123 0.000 0.763 145 L CB -0.394 41.735 42.059 0.116 0.000 0.908 145 L HN 0.009 nan 8.230 nan 0.000 0.437 146 T N 0.056 114.602 114.554 -0.013 0.000 2.777 146 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 146 T C 1.891 176.489 174.700 -0.170 0.000 1.040 146 T CA 1.177 63.245 62.100 -0.053 0.000 1.141 146 T CB -0.082 68.786 68.868 -0.000 0.000 0.868 146 T HN 0.182 nan 8.240 nan 0.000 0.444 147 I N 0.133 120.565 120.570 -0.231 0.000 2.252 147 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 147 I C 1.855 177.800 176.117 -0.286 0.000 1.102 147 I CA 1.251 62.336 61.300 -0.357 0.000 1.385 147 I CB -0.317 37.410 38.000 -0.456 0.000 1.064 147 I HN 0.201 nan 8.210 nan 0.000 0.414 148 F N 0.431 120.367 119.950 -0.024 0.000 2.293 148 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 148 F C 2.907 178.729 175.800 0.036 0.000 1.086 148 F CA 1.280 59.319 58.000 0.065 0.000 1.375 148 F CB -1.081 37.967 39.000 0.080 0.000 1.045 148 F HN 0.037 nan 8.300 nan 0.000 0.516 149 S N 0.141 115.933 115.700 0.153 0.000 2.356 149 S HA -0.153 4.317 4.470 -0.000 0.000 0.223 149 S C 2.157 176.772 174.600 0.026 0.000 1.032 149 S CA 0.959 59.232 58.200 0.122 0.000 1.005 149 S CB -0.447 62.815 63.200 0.104 0.000 0.867 149 S HN 0.156 nan 8.310 nan 0.000 0.449 150 L N 1.415 122.528 121.223 -0.184 0.000 2.046 150 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 150 L C 2.266 179.040 176.870 -0.159 0.000 1.077 150 L CA 1.979 56.607 54.840 -0.353 0.000 0.747 150 L CB -1.429 40.321 42.059 -0.516 0.000 0.896 150 L HN 0.506 nan 8.230 nan 0.000 0.432 151 H N -1.578 117.469 119.070 -0.038 0.000 2.293 151 H HA -0.144 4.412 4.556 -0.000 0.000 0.300 151 H C 2.230 177.576 175.328 0.030 0.000 1.082 151 H CA 1.416 57.473 56.048 0.014 0.000 1.308 151 H CB 0.055 29.884 29.762 0.112 0.000 1.375 151 H HN 0.184 nan 8.280 nan 0.000 0.495 152 L N -0.044 121.303 121.223 0.206 0.000 1.970 152 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 152 L C 2.881 179.822 176.870 0.118 0.000 1.071 152 L CA 1.017 55.940 54.840 0.137 0.000 0.751 152 L CB -0.753 41.385 42.059 0.132 0.000 0.889 152 L HN 0.358 nan 8.230 nan 0.000 0.432 153 A N 0.282 123.177 122.820 0.125 0.000 2.032 153 A HA -0.166 4.154 4.320 -0.000 0.000 0.221 153 A C 2.331 179.993 177.584 0.130 0.000 1.165 153 A CA 1.922 54.042 52.037 0.139 0.000 0.645 153 A CB -1.095 17.967 19.000 0.103 0.000 0.807 153 A HN 0.520 nan 8.150 nan 0.000 0.453 154 G N -0.865 107.991 108.800 0.093 0.000 2.395 154 G HA2 0.010 3.970 3.960 -0.000 0.000 0.214 154 G HA3 0.010 3.970 3.960 -0.000 0.000 0.214 154 G C 1.484 176.432 174.900 0.080 0.000 1.177 154 G CA 0.963 46.111 45.100 0.081 0.000 0.794 154 G HN 0.291 nan 8.290 nan 0.000 0.532 155 V N 1.570 121.532 119.914 0.081 0.000 2.282 155 V HA -0.249 3.870 4.120 -0.000 0.000 0.249 155 V C 3.146 179.282 176.094 0.070 0.000 1.057 155 V CA 2.436 64.774 62.300 0.063 0.000 1.032 155 V CB -0.783 31.070 31.823 0.050 0.000 0.645 155 V HN 0.553 nan 8.190 nan 0.000 0.447 156 S N 0.358 116.107 115.700 0.082 0.000 2.368 156 S HA -0.281 4.189 4.470 -0.000 0.000 0.226 156 S C 2.114 176.783 174.600 0.115 0.000 1.044 156 S CA 2.511 60.768 58.200 0.095 0.000 1.062 156 S CB -0.570 62.684 63.200 0.090 0.000 0.931 156 S HN 0.623 nan 8.310 nan 0.000 0.440 157 S N 1.782 117.548 115.700 0.110 0.000 2.399 157 S HA 0.001 4.471 4.470 -0.000 0.000 0.231 157 S C 1.901 176.563 174.600 0.104 0.000 1.022 157 S CA 1.280 59.543 58.200 0.104 0.000 0.983 157 S CB -0.685 62.564 63.200 0.082 0.000 0.803 157 S HN 0.790 nan 8.310 nan 0.000 0.480 158 I N -0.174 120.450 120.570 0.091 0.000 2.500 158 I HA -0.047 4.123 4.170 -0.000 0.000 0.252 158 I C 1.866 178.037 176.117 0.091 0.000 1.142 158 I CA 0.991 62.343 61.300 0.086 0.000 1.451 158 I CB -0.119 37.921 38.000 0.067 0.000 1.093 158 I HN 0.092 nan 8.210 nan 0.000 0.430 159 L N 1.943 123.216 121.223 0.085 0.000 2.083 159 L HA -0.015 4.325 4.340 -0.000 0.000 0.209 159 L C 2.560 179.505 176.870 0.125 0.000 1.083 159 L CA 2.125 57.012 54.840 0.079 0.000 0.752 159 L CB -1.627 40.472 42.059 0.067 0.000 0.899 159 L HN 0.416 nan 8.230 nan 0.000 0.433 160 G N -1.593 107.303 108.800 0.160 0.000 2.402 160 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 160 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 160 G C 1.667 176.764 174.900 0.329 0.000 1.162 160 G CA 0.696 45.935 45.100 0.232 0.000 0.777 160 G HN 0.504 nan 8.290 nan 0.000 0.539 161 A N 0.742 123.710 122.820 0.246 0.000 1.978 161 A HA 0.012 4.332 4.320 -0.000 0.000 0.220 161 A C 2.365 180.075 177.584 0.210 0.000 1.170 161 A CA 1.254 53.424 52.037 0.221 0.000 0.636 161 A CB -0.338 18.738 19.000 0.126 0.000 0.810 161 A HN 0.410 nan 8.150 nan 0.000 0.448 162 I N -0.484 120.193 120.570 0.178 0.000 2.315 162 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 162 I C 2.420 178.697 176.117 0.266 0.000 1.117 162 I CA 1.229 62.640 61.300 0.184 0.000 1.404 162 I CB -0.427 37.649 38.000 0.126 0.000 1.071 162 I HN 0.329 nan 8.210 nan 0.000 0.419 163 N N 1.146 119.996 118.700 0.249 0.000 2.106 163 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 163 N C 1.833 177.287 175.510 -0.093 0.000 1.029 163 N CA 1.634 54.755 53.050 0.118 0.000 0.848 163 N CB -0.227 38.265 38.487 0.009 0.000 1.007 163 N HN 0.134 nan 8.380 nan 0.000 0.423 164 F N 1.228 121.171 119.950 -0.011 0.000 2.102 164 F HA -0.005 4.522 4.527 -0.000 0.000 0.298 164 F C 2.335 178.086 175.800 -0.082 0.000 1.105 164 F CA 0.842 58.802 58.000 -0.068 0.000 1.239 164 F CB -0.418 38.543 39.000 -0.065 0.000 0.991 164 F HN 0.020 nan 8.300 nan 0.000 0.474 165 I N -0.788 119.878 120.570 0.159 0.000 2.142 165 I HA -0.310 3.860 4.170 -0.000 0.000 0.240 165 I C 2.281 178.397 176.117 -0.001 0.000 1.078 165 I CA 1.723 63.061 61.300 0.062 0.000 1.343 165 I CB -0.979 37.065 38.000 0.073 0.000 1.046 165 I HN 0.122 nan 8.210 nan 0.000 0.405 166 T N 0.220 114.777 114.554 0.004 0.000 2.652 166 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 166 T C 1.897 176.493 174.700 -0.175 0.000 1.039 166 T CA 2.164 64.221 62.100 -0.072 0.000 1.153 166 T CB -0.518 68.291 68.868 -0.098 0.000 0.863 166 T HN 0.377 nan 8.240 nan 0.000 0.428 167 T N 2.351 116.768 114.554 -0.229 0.000 2.580 167 T HA -0.058 4.292 4.350 -0.000 0.000 0.265 167 T C 1.997 176.584 174.700 -0.188 0.000 1.063 167 T CA 1.336 63.286 62.100 -0.250 0.000 1.170 167 T CB -0.627 68.076 68.868 -0.276 0.000 0.863 167 T HN 0.299 nan 8.240 nan 0.000 0.418 168 I N 0.199 120.684 120.570 -0.142 0.000 2.315 168 I HA -0.158 4.012 4.170 -0.000 0.000 0.251 168 I C 2.170 178.173 176.117 -0.190 0.000 1.125 168 I CA 1.337 62.543 61.300 -0.157 0.000 1.392 168 I CB -0.296 37.626 38.000 -0.130 0.000 1.065 168 I HN 0.251 nan 8.210 nan 0.000 0.424 169 I N -0.138 120.336 120.570 -0.159 0.000 2.731 169 I HA -0.142 4.028 4.170 -0.000 0.000 0.260 169 I C 1.789 177.824 176.117 -0.137 0.000 1.138 169 I CA 0.877 62.085 61.300 -0.153 0.000 1.461 169 I CB 0.031 37.967 38.000 -0.108 0.000 1.128 169 I HN 0.196 nan 8.210 nan 0.000 0.438 170 N N -0.041 118.577 118.700 -0.136 0.000 2.205 170 N HA 0.158 4.898 4.740 -0.000 0.000 0.201 170 N C 0.905 176.331 175.510 -0.141 0.000 1.128 170 N CA 0.307 53.282 53.050 -0.126 0.000 0.867 170 N CB 0.390 38.808 38.487 -0.116 0.000 0.996 170 N HN 0.109 nan 8.380 nan 0.000 0.503 171 M N -0.207 119.294 119.600 -0.164 0.000 2.596 171 M HA 0.240 4.720 4.480 -0.000 0.000 0.364 171 M C -0.440 175.756 176.300 -0.174 0.000 1.158 171 M CA -0.252 54.947 55.300 -0.169 0.000 0.940 171 M CB 0.822 33.304 32.600 -0.197 0.000 1.388 171 M HN -0.137 nan 8.290 nan 0.000 0.522 172 K N 1.176 121.478 120.400 -0.163 0.000 2.107 172 K HA 0.409 4.729 4.320 -0.000 0.000 0.251 172 K C -2.406 174.111 176.600 -0.138 0.000 1.012 172 K CA -1.620 54.570 56.287 -0.163 0.000 0.920 172 K CB 0.243 32.649 32.500 -0.156 0.000 1.033 172 K HN -0.156 nan 8.250 nan 0.000 0.478 173 P HA 0.018 nan 4.420 nan 0.000 0.264 173 P C -2.139 175.103 177.300 -0.097 0.000 1.193 173 P CA -0.861 62.173 63.100 -0.110 0.000 0.763 173 P CB 0.304 31.941 31.700 -0.106 0.000 0.810 174 P HA -0.258 nan 4.420 nan 0.000 0.219 174 P C 0.814 178.070 177.300 -0.074 0.000 1.151 174 P CA 1.872 64.927 63.100 -0.075 0.000 0.850 174 P CB -0.101 31.559 31.700 -0.067 0.000 0.784 175 A N -2.467 120.301 122.820 -0.087 0.000 2.308 175 A HA 0.214 4.534 4.320 -0.000 0.000 0.217 175 A C 0.977 178.525 177.584 -0.062 0.000 1.216 175 A CA -0.166 51.825 52.037 -0.077 0.000 0.864 175 A CB -0.713 18.225 19.000 -0.103 0.000 0.902 175 A HN 0.162 nan 8.150 nan 0.000 0.499 176 M N 2.165 121.724 119.600 -0.068 0.000 2.080 176 M HA 0.350 4.830 4.480 -0.000 0.000 0.350 176 M C 0.248 176.512 176.300 -0.060 0.000 1.173 176 M CA -0.353 54.913 55.300 -0.057 0.000 1.052 176 M CB 0.883 33.441 32.600 -0.070 0.000 1.577 176 M HN 0.355 nan 8.290 nan 0.000 0.455 177 S N 3.090 118.773 115.700 -0.029 0.000 2.624 177 S HA 0.148 4.618 4.470 -0.000 0.000 0.263 177 S C 0.627 175.161 174.600 -0.109 0.000 1.287 177 S CA -0.507 57.668 58.200 -0.041 0.000 0.990 177 S CB 1.325 64.560 63.200 0.059 0.000 0.950 177 S HN 0.851 nan 8.310 nan 0.000 0.561 178 Q N -0.303 119.343 119.800 -0.258 0.000 2.226 178 Q HA -0.010 4.330 4.340 -0.000 0.000 0.204 178 Q C 0.560 176.463 176.000 -0.162 0.000 0.975 178 Q CA 1.553 57.106 55.803 -0.416 0.000 0.866 178 Q CB -0.513 27.850 28.738 -0.625 0.000 0.915 178 Q HN 0.856 nan 8.270 nan 0.000 0.440 179 Y N -0.394 120.101 120.300 0.325 0.000 2.488 179 Y HA 0.084 4.634 4.550 -0.000 0.000 0.319 179 Y C 0.986 177.035 175.900 0.248 0.000 1.212 179 Y CA 0.394 58.780 58.100 0.476 0.000 1.273 179 Y CB 0.019 38.686 38.460 0.345 0.000 1.074 179 Y HN 0.172 nan 8.280 nan 0.000 0.503 180 Q N -0.844 119.082 119.800 0.211 0.000 2.164 180 Q HA 0.103 4.443 4.340 -0.000 0.000 0.226 180 Q C 0.352 176.409 176.000 0.096 0.000 0.813 180 Q CA -0.084 55.763 55.803 0.074 0.000 0.978 180 Q CB 0.872 29.625 28.738 0.025 0.000 1.149 180 Q HN 0.307 nan 8.270 nan 0.000 0.489 181 T N -0.968 113.666 114.554 0.134 0.000 2.909 181 T HA 0.456 4.806 4.350 -0.000 0.000 0.289 181 T C -2.581 172.324 174.700 0.342 0.000 1.005 181 T CA -2.001 60.153 62.100 0.090 0.000 1.084 181 T CB 1.226 69.994 68.868 -0.167 0.000 0.975 181 T HN -0.214 nan 8.240 nan 0.000 0.509 182 P HA 0.152 nan 4.420 nan 0.000 0.267 182 P C 1.077 178.762 177.300 0.642 0.000 1.200 182 P CA -0.378 63.034 63.100 0.520 0.000 0.772 182 P CB 0.404 32.441 31.700 0.561 0.000 0.855 183 L N 1.585 123.221 121.223 0.690 0.000 2.081 183 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 183 L C 2.150 179.353 176.870 0.555 0.000 1.080 183 L CA 1.479 56.666 54.840 0.579 0.000 0.754 183 L CB -0.707 41.602 42.059 0.417 0.000 0.893 183 L HN 0.382 nan 8.230 nan 0.000 0.433 184 F N 0.613 120.842 119.950 0.465 0.000 2.091 184 F HA -0.230 4.297 4.527 -0.000 0.000 0.299 184 F C 2.274 178.143 175.800 0.116 0.000 1.103 184 F CA 1.738 59.797 58.000 0.097 0.000 1.228 184 F CB -0.463 38.333 39.000 -0.340 0.000 0.984 184 F HN -0.225 nan 8.300 nan 0.000 0.477 185 V N -0.971 118.974 119.914 0.052 0.000 2.287 185 V HA -0.349 3.771 4.120 -0.000 0.000 0.248 185 V C 2.197 178.239 176.094 -0.086 0.000 1.053 185 V CA 2.104 64.335 62.300 -0.115 0.000 1.027 185 V CB -1.314 30.487 31.823 -0.038 0.000 0.646 185 V HN 0.506 nan 8.190 nan 0.000 0.447 186 W N 0.905 122.191 121.300 -0.024 0.000 2.338 186 W HA -0.251 4.409 4.660 -0.000 0.000 0.304 186 W C 3.082 179.552 176.519 -0.081 0.000 1.212 186 W CA 2.008 59.333 57.345 -0.034 0.000 1.264 186 W CB -0.418 29.041 29.460 -0.002 0.000 1.142 186 W HN 0.376 nan 8.180 nan 0.000 0.512 187 S N -0.308 115.491 115.700 0.165 0.000 2.368 187 S HA -0.220 4.250 4.470 -0.000 0.000 0.225 187 S C 1.851 176.365 174.600 -0.142 0.000 1.030 187 S CA 1.542 59.764 58.200 0.037 0.000 0.999 187 S CB -1.024 62.219 63.200 0.072 0.000 0.844 187 S HN 0.143 nan 8.310 nan 0.000 0.459 188 V N 1.029 120.720 119.914 -0.371 0.000 2.719 188 V HA 0.089 4.209 4.120 -0.000 0.000 0.252 188 V C 2.289 178.205 176.094 -0.297 0.000 1.065 188 V CA 1.784 63.800 62.300 -0.473 0.000 1.086 188 V CB -0.405 30.960 31.823 -0.763 0.000 0.700 188 V HN 0.660 nan 8.190 nan 0.000 0.467 189 M N -0.670 118.841 119.600 -0.148 0.000 2.156 189 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 189 M C 2.013 178.323 176.300 0.017 0.000 1.067 189 M CA 2.016 57.282 55.300 -0.056 0.000 1.131 189 M CB -0.224 32.336 32.600 -0.068 0.000 1.368 189 M HN 0.381 nan 8.290 nan 0.000 0.416 190 I N -0.253 120.364 120.570 0.078 0.000 2.252 190 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 190 I C 2.184 178.330 176.117 0.048 0.000 1.102 190 I CA 1.408 62.769 61.300 0.101 0.000 1.385 190 I CB -0.509 37.568 38.000 0.129 0.000 1.064 190 I HN 0.262 nan 8.210 nan 0.000 0.414 191 T N 0.633 115.174 114.554 -0.021 0.000 2.684 191 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 191 T C 2.063 176.734 174.700 -0.048 0.000 1.036 191 T CA 1.538 63.604 62.100 -0.056 0.000 1.148 191 T CB -0.402 68.380 68.868 -0.143 0.000 0.863 191 T HN 0.483 nan 8.240 nan 0.000 0.436 192 A N 0.874 123.643 122.820 -0.084 0.000 1.917 192 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 192 A C 2.594 180.207 177.584 0.049 0.000 1.182 192 A CA 1.623 53.643 52.037 -0.029 0.000 0.633 192 A CB -1.104 17.892 19.000 -0.006 0.000 0.819 192 A HN 0.367 nan 8.150 nan 0.000 0.448 193 V N -0.432 119.521 119.914 0.066 0.000 2.295 193 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 193 V C 2.511 178.695 176.094 0.151 0.000 1.049 193 V CA 1.907 64.265 62.300 0.097 0.000 1.024 193 V CB -0.744 31.137 31.823 0.097 0.000 0.648 193 V HN 0.490 nan 8.190 nan 0.000 0.447 194 L N -0.759 120.577 121.223 0.188 0.000 2.042 194 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 194 L C 2.218 179.236 176.870 0.247 0.000 1.076 194 L CA 1.851 56.872 54.840 0.302 0.000 0.749 194 L CB -0.889 41.264 42.059 0.157 0.000 0.893 194 L HN 0.247 nan 8.230 nan 0.000 0.432 195 L N -1.861 119.443 121.223 0.136 0.000 2.027 195 L HA -0.215 4.125 4.340 -0.000 0.000 0.206 195 L C 2.444 179.405 176.870 0.152 0.000 1.074 195 L CA 0.685 55.602 54.840 0.129 0.000 0.745 195 L CB -0.645 41.457 42.059 0.072 0.000 0.898 195 L HN 0.205 nan 8.230 nan 0.000 0.433 196 L N -0.355 120.945 121.223 0.128 0.000 2.137 196 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 196 L C 2.159 179.102 176.870 0.121 0.000 1.085 196 L CA 1.791 56.697 54.840 0.110 0.000 0.760 196 L CB -0.176 41.936 42.059 0.089 0.000 0.893 196 L HN 0.164 nan 8.230 nan 0.000 0.434 197 L N -2.200 119.127 121.223 0.173 0.000 2.221 197 L HA 0.015 4.355 4.340 -0.000 0.000 0.202 197 L C 2.543 179.606 176.870 0.321 0.000 1.074 197 L CA 0.873 55.821 54.840 0.180 0.000 0.795 197 L CB -0.694 41.379 42.059 0.024 0.000 0.960 197 L HN 0.359 nan 8.230 nan 0.000 0.458 198 S N 0.250 116.205 115.700 0.426 0.000 2.348 198 S HA -0.108 4.362 4.470 -0.000 0.000 0.219 198 S C 1.987 176.775 174.600 0.312 0.000 1.033 198 S CA 0.458 58.902 58.200 0.406 0.000 0.974 198 S CB -0.621 62.741 63.200 0.269 0.000 0.868 198 S HN 0.107 nan 8.310 nan 0.000 0.459 199 L N 2.985 124.347 121.223 0.231 0.000 2.051 199 L HA 0.020 4.360 4.340 -0.000 0.000 0.214 199 L C -0.715 176.141 176.870 -0.024 0.000 1.076 199 L CA 1.782 56.637 54.840 0.025 0.000 0.758 199 L CB -1.821 40.266 42.059 0.048 0.000 0.890 199 L HN 0.259 nan 8.230 nan 0.000 0.433 200 P HA -0.138 nan 4.420 nan 0.000 0.215 200 P C 2.043 179.340 177.300 -0.006 0.000 1.153 200 P CA 1.175 64.287 63.100 0.020 0.000 0.853 200 P CB 0.029 31.754 31.700 0.041 0.000 0.788 201 V N -0.572 119.363 119.914 0.033 0.000 2.407 201 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 201 V C 2.382 178.422 176.094 -0.091 0.000 1.055 201 V CA 1.545 63.843 62.300 -0.003 0.000 1.049 201 V CB -1.256 30.630 31.823 0.104 0.000 0.662 201 V HN 0.067 nan 8.190 nan 0.000 0.455 202 L N 1.171 122.283 121.223 -0.185 0.000 2.017 202 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 202 L C 2.472 179.194 176.870 -0.247 0.000 1.073 202 L CA 2.338 56.948 54.840 -0.383 0.000 0.745 202 L CB -0.899 40.596 42.059 -0.939 0.000 0.894 202 L HN 0.196 nan 8.230 nan 0.000 0.432 203 A N -0.493 122.229 122.820 -0.164 0.000 1.978 203 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 203 A C 2.393 180.000 177.584 0.038 0.000 1.170 203 A CA 1.797 53.827 52.037 -0.012 0.000 0.636 203 A CB -1.059 17.993 19.000 0.087 0.000 0.810 203 A HN 0.615 nan 8.150 nan 0.000 0.448 204 A N -0.782 122.020 122.820 -0.030 0.000 1.970 204 A HA 0.280 4.600 4.320 -0.000 0.000 0.216 204 A C 2.325 179.875 177.584 -0.057 0.000 1.170 204 A CA 1.516 53.525 52.037 -0.047 0.000 0.645 204 A CB -1.084 17.869 19.000 -0.078 0.000 0.816 204 A HN 0.627 nan 8.150 nan 0.000 0.447 205 G N 1.057 109.815 108.800 -0.070 0.000 2.404 205 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.215 205 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.215 205 G C 1.522 176.479 174.900 0.095 0.000 1.174 205 G CA 1.199 46.279 45.100 -0.032 0.000 0.780 205 G HN 0.777 nan 8.290 nan 0.000 0.537 206 I N -1.755 118.821 120.570 0.010 0.000 2.676 206 I HA 0.025 4.195 4.170 -0.000 0.000 0.259 206 I C 2.325 178.450 176.117 0.012 0.000 1.194 206 I CA 1.486 62.791 61.300 0.008 0.000 1.473 206 I CB -0.612 37.279 38.000 -0.182 0.000 1.096 206 I HN -0.076 nan 8.210 nan 0.000 0.443 207 T N 1.258 115.852 114.554 0.067 0.000 2.867 207 T HA 0.006 4.356 4.350 -0.000 0.000 0.268 207 T C 1.869 176.601 174.700 0.054 0.000 1.057 207 T CA 1.567 63.745 62.100 0.130 0.000 1.136 207 T CB -0.160 68.795 68.868 0.145 0.000 0.874 207 T HN 0.324 nan 8.240 nan 0.000 0.466 208 M N 0.237 119.834 119.600 -0.005 0.000 2.099 208 M HA 0.001 4.481 4.480 -0.000 0.000 0.262 208 M C 2.187 178.602 176.300 0.192 0.000 1.067 208 M CA 1.254 56.469 55.300 -0.142 0.000 1.124 208 M CB -0.356 31.973 32.600 -0.451 0.000 1.353 208 M HN 0.174 nan 8.290 nan 0.000 0.410 209 L N 0.495 121.981 121.223 0.438 0.000 2.079 209 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 209 L C 2.156 179.128 176.870 0.169 0.000 1.081 209 L CA 1.574 56.663 54.840 0.415 0.000 0.752 209 L CB -0.651 41.543 42.059 0.226 0.000 0.896 209 L HN 0.249 nan 8.230 nan 0.000 0.433 210 L N -0.754 120.520 121.223 0.084 0.000 2.017 210 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 210 L C 2.612 179.525 176.870 0.072 0.000 1.073 210 L CA 2.521 57.371 54.840 0.017 0.000 0.745 210 L CB -1.039 41.001 42.059 -0.032 0.000 0.894 210 L HN 0.597 nan 8.230 nan 0.000 0.432 211 T N -4.329 110.294 114.554 0.115 0.000 2.833 211 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 211 T C 1.641 176.417 174.700 0.127 0.000 1.054 211 T CA 1.311 63.491 62.100 0.134 0.000 1.135 211 T CB -0.702 68.283 68.868 0.195 0.000 0.869 211 T HN 0.312 nan 8.240 nan 0.000 0.466 212 D N 2.250 122.745 120.400 0.158 0.000 2.218 212 D HA -0.034 4.606 4.640 -0.000 0.000 0.204 212 D C 2.045 178.396 176.300 0.085 0.000 0.976 212 D CA 0.857 54.931 54.000 0.123 0.000 0.853 212 D CB -0.094 40.816 40.800 0.182 0.000 0.939 212 D HN 0.722 nan 8.370 nan 0.000 0.481 213 R N -0.805 119.741 120.500 0.077 0.000 2.509 213 R HA 0.367 4.707 4.340 -0.000 0.000 0.300 213 R C 0.669 176.998 176.300 0.048 0.000 0.985 213 R CA -0.078 56.054 56.100 0.055 0.000 1.092 213 R CB 0.364 30.690 30.300 0.043 0.000 1.237 213 R HN -0.068 nan 8.270 nan 0.000 0.546 214 N N -0.410 118.322 118.700 0.054 0.000 2.026 214 N HA 0.075 4.815 4.740 -0.000 0.000 0.239 214 N C -0.179 175.362 175.510 0.051 0.000 1.283 214 N CA 0.115 53.198 53.050 0.055 0.000 0.816 214 N CB 0.784 39.311 38.487 0.068 0.000 1.263 214 N HN 0.045 nan 8.380 nan 0.000 0.470 215 L N 1.939 123.193 121.223 0.052 0.000 3.168 215 L HA 0.373 4.713 4.340 -0.000 0.000 0.277 215 L C -0.089 176.792 176.870 0.019 0.000 1.245 215 L CA 0.058 54.922 54.840 0.041 0.000 1.035 215 L CB -0.515 41.578 42.059 0.056 0.000 1.399 215 L HN -0.011 nan 8.230 nan 0.000 0.580 216 N N -0.133 118.574 118.700 0.012 0.000 2.721 216 N HA -0.171 4.569 4.740 -0.000 0.000 0.249 216 N C 0.333 175.810 175.510 -0.055 0.000 1.072 216 N CA 1.324 54.365 53.050 -0.014 0.000 0.710 216 N CB -1.448 37.030 38.487 -0.015 0.000 0.993 216 N HN 0.559 nan 8.380 nan 0.000 0.547 217 T N -3.318 111.195 114.554 -0.068 0.000 2.918 217 T HA 0.587 4.937 4.350 -0.000 0.000 0.283 217 T C 1.149 175.707 174.700 -0.237 0.000 1.001 217 T CA -0.156 61.816 62.100 -0.212 0.000 1.041 217 T CB 2.013 70.745 68.868 -0.227 0.000 1.028 217 T HN 0.235 nan 8.240 nan 0.000 0.511 218 T N -0.974 113.344 114.554 -0.393 0.000 3.448 218 T HA 0.318 4.668 4.350 -0.000 0.000 0.271 218 T C 0.627 175.126 174.700 -0.336 0.000 1.002 218 T CA -0.706 61.238 62.100 -0.260 0.000 0.995 218 T CB -0.938 67.834 68.868 -0.160 0.000 1.153 218 T HN 0.410 nan 8.240 nan 0.000 0.510 219 F N 1.365 121.102 119.950 -0.354 0.000 2.091 219 F HA 0.041 4.568 4.527 -0.000 0.000 0.299 219 F C 1.197 176.697 175.800 -0.501 0.000 1.103 219 F CA 1.449 59.086 58.000 -0.605 0.000 1.228 219 F CB -0.491 37.813 39.000 -1.161 0.000 0.984 219 F HN 0.413 nan 8.300 nan 0.000 0.477 220 F N -1.361 118.712 119.950 0.205 0.000 2.708 220 F HA 0.271 4.798 4.527 -0.000 0.000 0.300 220 F C -0.153 175.684 175.800 0.062 0.000 1.118 220 F CA -0.952 57.121 58.000 0.123 0.000 1.307 220 F CB -0.295 38.771 39.000 0.109 0.000 0.986 220 F HN -0.248 nan 8.300 nan 0.000 0.522 221 D N 1.329 121.805 120.400 0.128 0.000 2.425 221 D HA 0.300 4.940 4.640 -0.000 0.000 0.240 221 D C -2.082 174.246 176.300 0.047 0.000 1.080 221 D CA -2.593 51.455 54.000 0.079 0.000 0.836 221 D CB 2.370 43.192 40.800 0.037 0.000 1.125 221 D HN -0.128 nan 8.370 nan 0.000 0.525 222 P HA -0.110 nan 4.420 nan 0.000 0.218 222 P C 1.077 178.390 177.300 0.021 0.000 1.148 222 P CA 1.302 64.427 63.100 0.043 0.000 0.822 222 P CB 0.252 31.981 31.700 0.049 0.000 0.784 223 A N 0.118 122.948 122.820 0.017 0.000 1.903 223 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 223 A C 2.396 179.973 177.584 -0.012 0.000 1.191 223 A CA 2.365 54.405 52.037 0.004 0.000 0.638 223 A CB -1.901 17.101 19.000 0.003 0.000 0.823 223 A HN 0.330 nan 8.150 nan 0.000 0.451 224 G N -2.928 105.855 108.800 -0.028 0.000 2.985 224 G HA2 0.388 4.348 3.960 -0.000 0.000 0.209 224 G HA3 0.388 4.348 3.960 -0.000 0.000 0.209 224 G C 1.062 175.932 174.900 -0.050 0.000 1.165 224 G CA 0.697 45.765 45.100 -0.054 0.000 0.776 224 G HN 1.780 nan 8.290 nan 0.000 0.541 225 G N -1.331 107.455 108.800 -0.023 0.000 2.168 225 G HA2 0.042 4.002 3.960 -0.000 0.000 0.197 225 G HA3 0.042 4.002 3.960 -0.000 0.000 0.197 225 G C 0.738 175.640 174.900 0.002 0.000 0.997 225 G CA 0.104 45.198 45.100 -0.009 0.000 0.658 225 G HN 0.921 nan 8.290 nan 0.000 0.513 226 G N -0.698 108.103 108.800 0.000 0.000 2.651 226 G HA2 0.453 4.413 3.960 -0.000 0.000 0.260 226 G HA3 0.453 4.413 3.960 -0.000 0.000 0.260 226 G C -0.745 174.220 174.900 0.108 0.000 1.216 226 G CA 0.534 45.656 45.100 0.037 0.000 0.913 226 G HN 0.289 nan 8.290 nan 0.000 0.535 227 D N -0.643 119.873 120.400 0.194 0.000 2.575 227 D HA 0.351 4.991 4.640 -0.000 0.000 0.250 227 D C -1.921 174.549 176.300 0.284 0.000 1.279 227 D CA -1.812 52.314 54.000 0.210 0.000 0.925 227 D CB 2.251 43.168 40.800 0.194 0.000 1.261 227 D HN -0.076 nan 8.370 nan 0.000 0.567 228 P HA -0.036 nan 4.420 nan 0.000 0.222 228 P C 1.532 178.850 177.300 0.029 0.000 1.147 228 P CA 0.353 63.523 63.100 0.118 0.000 0.790 228 P CB 0.481 32.227 31.700 0.076 0.000 0.780 229 I N -1.179 119.425 120.570 0.057 0.000 2.333 229 I HA -0.118 4.052 4.170 -0.000 0.000 0.246 229 I C 2.158 178.267 176.117 -0.013 0.000 1.106 229 I CA 0.893 62.178 61.300 -0.024 0.000 1.411 229 I CB -1.642 36.359 38.000 0.001 0.000 1.082 229 I HN -0.015 nan 8.210 nan 0.000 0.420 230 L N 0.682 122.007 121.223 0.171 0.000 2.089 230 L HA -0.297 4.043 4.340 -0.000 0.000 0.213 230 L C 2.605 179.572 176.870 0.161 0.000 1.079 230 L CA 1.936 56.940 54.840 0.274 0.000 0.758 230 L CB -1.112 41.182 42.059 0.393 0.000 0.891 230 L HN 0.291 nan 8.230 nan 0.000 0.433 231 Y N 0.084 120.274 120.300 -0.184 0.000 2.145 231 Y HA -0.287 4.263 4.550 -0.000 0.000 0.286 231 Y C 2.582 178.234 175.900 -0.414 0.000 1.145 231 Y CA 2.180 59.912 58.100 -0.613 0.000 1.148 231 Y CB -0.350 37.350 38.460 -1.267 0.000 0.981 231 Y HN 0.364 nan 8.280 nan 0.000 0.507 232 Q N -0.848 118.748 119.800 -0.341 0.000 2.152 232 Q HA -0.271 4.069 4.340 -0.000 0.000 0.206 232 Q C 2.051 178.008 176.000 -0.072 0.000 0.985 232 Q CA 1.686 57.262 55.803 -0.378 0.000 0.863 232 Q CB -0.340 28.196 28.738 -0.337 0.000 0.904 232 Q HN 0.617 nan 8.270 nan 0.000 0.422 233 H N 0.553 119.643 119.070 0.035 0.000 2.256 233 H HA -0.100 4.456 4.556 -0.000 0.000 0.299 233 H C 2.294 177.548 175.328 -0.123 0.000 1.071 233 H CA 1.323 57.432 56.048 0.102 0.000 1.280 233 H CB -0.564 29.269 29.762 0.118 0.000 1.370 233 H HN 0.198 nan 8.280 nan 0.000 0.490 234 L N -0.414 120.769 121.223 -0.067 0.000 1.997 234 L HA -0.258 4.082 4.340 -0.000 0.000 0.216 234 L C 2.610 179.348 176.870 -0.220 0.000 1.074 234 L CA 1.728 56.452 54.840 -0.193 0.000 0.763 234 L CB -0.716 41.213 42.059 -0.217 0.000 0.890 234 L HN 0.128 nan 8.230 nan 0.000 0.434 235 F N -0.326 119.267 119.950 -0.595 0.000 2.075 235 F HA -0.250 4.277 4.527 -0.000 0.000 0.297 235 F C 2.177 177.725 175.800 -0.420 0.000 1.113 235 F CA 1.581 59.202 58.000 -0.632 0.000 1.218 235 F CB -0.525 37.844 39.000 -1.052 0.000 0.984 235 F HN -0.035 nan 8.300 nan 0.000 0.472 236 W N -0.994 120.335 121.300 0.047 0.000 2.392 236 W HA -0.205 4.455 4.660 -0.000 0.000 0.279 236 W C 2.275 178.760 176.519 -0.056 0.000 1.225 236 W CA 0.701 58.042 57.345 -0.007 0.000 1.233 236 W CB -0.660 28.899 29.460 0.166 0.000 1.122 236 W HN 0.102 nan 8.180 nan 0.000 0.561 237 F N -0.210 119.665 119.950 -0.124 0.000 2.216 237 F HA -0.218 4.309 4.527 -0.000 0.000 0.300 237 F C 2.089 177.825 175.800 -0.107 0.000 1.085 237 F CA 1.666 59.514 58.000 -0.253 0.000 1.326 237 F CB -0.588 38.154 39.000 -0.430 0.000 1.027 237 F HN -0.022 nan 8.300 nan 0.000 0.497 238 F N -0.150 119.690 119.950 -0.183 0.000 2.374 238 F HA 0.271 4.798 4.527 -0.000 0.000 0.291 238 F C 2.204 177.787 175.800 -0.362 0.000 1.084 238 F CA 1.111 58.939 58.000 -0.287 0.000 1.413 238 F CB -1.131 37.673 39.000 -0.327 0.000 1.099 238 F HN -0.128 nan 8.300 nan 0.000 0.534 239 G N -0.179 108.069 108.800 -0.920 0.000 2.469 239 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.219 239 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.219 239 G C 1.482 176.153 174.900 -0.381 0.000 1.150 239 G CA 1.484 46.072 45.100 -0.854 0.000 0.763 239 G HN 0.565 nan 8.290 nan 0.000 0.561 240 H N 1.621 120.620 119.070 -0.118 0.000 2.333 240 H HA 0.035 4.591 4.556 -0.000 0.000 0.302 240 H C 0.204 175.471 175.328 -0.101 0.000 1.075 240 H CA 1.373 57.422 56.048 0.001 0.000 1.348 240 H CB -0.587 29.269 29.762 0.157 0.000 1.393 240 H HN 0.273 nan 8.280 nan 0.000 0.509 241 P HA -0.167 nan 4.420 nan 0.000 0.216 241 P C 1.252 178.305 177.300 -0.412 0.000 1.150 241 P CA 1.966 64.810 63.100 -0.427 0.000 0.843 241 P CB 0.024 31.251 31.700 -0.790 0.000 0.787 242 E N 0.064 119.891 120.200 -0.621 0.000 2.097 242 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 242 E C 1.744 178.077 176.600 -0.446 0.000 1.000 242 E CA 1.715 57.772 56.400 -0.572 0.000 0.804 242 E CB -1.232 27.962 29.700 -0.844 0.000 0.740 242 E HN 0.128 nan 8.360 nan 0.000 0.454 243 V N -1.201 118.407 119.914 -0.511 0.000 2.490 243 V HA -0.207 3.913 4.120 -0.000 0.000 0.250 243 V C 1.873 177.635 176.094 -0.555 0.000 1.061 243 V CA 1.787 63.766 62.300 -0.536 0.000 1.064 243 V CB -1.056 30.412 31.823 -0.591 0.000 0.670 243 V HN 0.267 nan 8.190 nan 0.000 0.461 244 Y N 0.051 120.146 120.300 -0.342 0.000 2.395 244 Y HA 0.271 4.821 4.550 -0.000 0.000 0.293 244 Y C 2.349 178.105 175.900 -0.239 0.000 1.123 244 Y CA 1.152 59.108 58.100 -0.240 0.000 1.227 244 Y CB -0.272 38.099 38.460 -0.148 0.000 1.012 244 Y HN 0.184 nan 8.280 nan 0.000 0.552 245 I N -0.508 119.979 120.570 -0.137 0.000 2.546 245 I HA -0.246 3.924 4.170 -0.000 0.000 0.255 245 I C 1.576 177.582 176.117 -0.185 0.000 1.163 245 I CA 1.167 62.378 61.300 -0.147 0.000 1.457 245 I CB -0.130 37.771 38.000 -0.166 0.000 1.092 245 I HN 0.246 nan 8.210 nan 0.000 0.434 246 L N -0.543 120.539 121.223 -0.236 0.000 2.418 246 L HA -0.061 4.279 4.340 -0.000 0.000 0.218 246 L C 2.147 178.894 176.870 -0.204 0.000 1.125 246 L CA 0.517 55.220 54.840 -0.228 0.000 0.835 246 L CB 0.079 41.973 42.059 -0.275 0.000 0.953 246 L HN 0.207 nan 8.230 nan 0.000 0.454 247 I N -0.983 119.430 120.570 -0.262 0.000 3.339 247 I HA -0.042 4.128 4.170 -0.000 0.000 0.285 247 I C 2.033 177.878 176.117 -0.454 0.000 1.201 247 I CA 0.826 61.911 61.300 -0.357 0.000 1.434 247 I CB 0.184 37.874 38.000 -0.517 0.000 1.152 247 I HN -0.003 nan 8.210 nan 0.000 0.443 248 L N 1.287 122.301 121.223 -0.349 0.000 2.021 248 L HA -0.208 4.132 4.340 -0.000 0.000 0.215 248 L C -0.405 176.479 176.870 0.024 0.000 1.074 248 L CA 1.957 56.711 54.840 -0.143 0.000 0.760 248 L CB -1.996 40.047 42.059 -0.026 0.000 0.889 248 L HN 0.198 nan 8.230 nan 0.000 0.433 249 P HA -0.128 nan 4.420 nan 0.000 0.217 249 P C 1.522 178.927 177.300 0.174 0.000 1.150 249 P CA 1.686 64.826 63.100 0.068 0.000 0.832 249 P CB -0.159 31.553 31.700 0.021 0.000 0.787 250 G N -1.141 107.696 108.800 0.061 0.000 2.418 250 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 250 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 250 G C 1.283 176.226 174.900 0.072 0.000 1.158 250 G CA 0.321 45.426 45.100 0.008 0.000 0.771 250 G HN 0.090 nan 8.290 nan 0.000 0.545 251 F N 2.087 122.059 119.950 0.036 0.000 2.091 251 F HA -0.059 4.468 4.527 -0.000 0.000 0.299 251 F C 2.827 178.787 175.800 0.266 0.000 1.103 251 F CA 0.611 58.733 58.000 0.202 0.000 1.228 251 F CB -1.138 37.998 39.000 0.227 0.000 0.984 251 F HN 0.189 nan 8.300 nan 0.000 0.477 252 G N -0.064 109.008 108.800 0.454 0.000 2.511 252 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.216 252 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.216 252 G C 1.740 176.903 174.900 0.439 0.000 1.218 252 G CA 1.059 46.453 45.100 0.490 0.000 0.788 252 G HN 0.260 nan 8.290 nan 0.000 0.560 253 M N 0.140 119.912 119.600 0.286 0.000 2.144 253 M HA -0.073 4.407 4.480 -0.000 0.000 0.260 253 M C 2.490 178.796 176.300 0.009 0.000 1.067 253 M CA 1.056 56.407 55.300 0.085 0.000 1.095 253 M CB -0.478 32.075 32.600 -0.078 0.000 1.365 253 M HN 0.145 nan 8.290 nan 0.000 0.406 254 I N -0.139 120.351 120.570 -0.133 0.000 2.252 254 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 254 I C 2.451 178.444 176.117 -0.208 0.000 1.102 254 I CA 1.403 62.459 61.300 -0.407 0.000 1.385 254 I CB -1.235 36.169 38.000 -0.994 0.000 1.064 254 I HN 0.240 nan 8.210 nan 0.000 0.414 255 S N -0.479 115.347 115.700 0.211 0.000 2.383 255 S HA -0.191 4.279 4.470 -0.000 0.000 0.229 255 S C 1.890 176.682 174.600 0.320 0.000 1.030 255 S CA 1.064 59.552 58.200 0.480 0.000 1.002 255 S CB -0.433 63.135 63.200 0.613 0.000 0.829 255 S HN 0.501 nan 8.310 nan 0.000 0.467 256 H N 0.269 119.447 119.070 0.180 0.000 2.363 256 H HA 0.112 4.668 4.556 -0.000 0.000 0.301 256 H C 2.159 177.460 175.328 -0.044 0.000 1.074 256 H CA 1.205 57.342 56.048 0.149 0.000 1.354 256 H CB -0.080 29.843 29.762 0.267 0.000 1.397 256 H HN 0.327 nan 8.280 nan 0.000 0.516 257 I N 0.286 120.815 120.570 -0.068 0.000 2.179 257 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 257 I C 2.520 178.649 176.117 0.020 0.000 1.088 257 I CA 0.769 61.935 61.300 -0.224 0.000 1.357 257 I CB -0.183 37.620 38.000 -0.327 0.000 1.051 257 I HN 0.030 nan 8.210 nan 0.000 0.409 258 V N 0.687 120.580 119.914 -0.035 0.000 2.343 258 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 258 V C 2.502 178.639 176.094 0.071 0.000 1.051 258 V CA 2.432 64.728 62.300 -0.007 0.000 1.036 258 V CB -0.739 31.034 31.823 -0.084 0.000 0.654 258 V HN 0.489 nan 8.190 nan 0.000 0.451 259 T N -1.256 113.359 114.554 0.102 0.000 2.737 259 T HA -0.223 4.127 4.350 -0.000 0.000 0.265 259 T C 1.753 176.482 174.700 0.048 0.000 1.038 259 T CA 1.942 64.100 62.100 0.098 0.000 1.144 259 T CB -0.390 68.544 68.868 0.111 0.000 0.866 259 T HN 0.537 nan 8.240 nan 0.000 0.434 260 Y N 0.791 121.029 120.300 -0.104 0.000 2.165 260 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 260 Y C 1.571 177.224 175.900 -0.411 0.000 1.155 260 Y CA 1.278 59.221 58.100 -0.262 0.000 1.164 260 Y CB -0.340 37.891 38.460 -0.381 0.000 0.978 260 Y HN 0.302 nan 8.280 nan 0.000 0.513 261 Y N -1.599 118.676 120.300 -0.040 0.000 2.490 261 Y HA 0.094 4.644 4.550 -0.000 0.000 0.281 261 Y C 2.081 177.873 175.900 -0.180 0.000 1.174 261 Y CA 0.576 58.592 58.100 -0.140 0.000 1.295 261 Y CB 0.075 38.461 38.460 -0.123 0.000 1.062 261 Y HN -0.009 nan 8.280 nan 0.000 0.522 262 S N -1.130 114.532 115.700 -0.063 0.000 2.535 262 S HA 0.202 4.672 4.470 -0.000 0.000 0.214 262 S C 1.788 176.326 174.600 -0.102 0.000 0.980 262 S CA 0.599 58.761 58.200 -0.063 0.000 0.907 262 S CB 0.114 63.310 63.200 -0.008 0.000 0.790 262 S HN 0.639 nan 8.310 nan 0.000 0.510 263 G N 1.715 110.403 108.800 -0.186 0.000 2.153 263 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.252 263 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.252 263 G C 0.010 174.829 174.900 -0.135 0.000 0.994 263 G CA 0.311 45.282 45.100 -0.216 0.000 0.698 263 G HN 0.378 nan 8.290 nan 0.000 0.521 264 K N -0.133 120.216 120.400 -0.085 0.000 2.126 264 K HA 0.598 4.918 4.320 -0.000 0.000 0.257 264 K C 1.590 178.176 176.600 -0.024 0.000 1.007 264 K CA -0.547 55.724 56.287 -0.027 0.000 0.928 264 K CB 0.539 33.057 32.500 0.030 0.000 1.013 264 K HN -0.054 nan 8.250 nan 0.000 0.473 265 K N 1.231 121.629 120.400 -0.003 0.000 2.021 265 K HA -0.042 4.278 4.320 -0.000 0.000 0.205 265 K C 0.178 176.798 176.600 0.033 0.000 1.047 265 K CA 1.371 57.662 56.287 0.008 0.000 0.943 265 K CB 0.001 32.504 32.500 0.004 0.000 0.725 265 K HN 0.813 nan 8.250 nan 0.000 0.439 266 E N 1.027 121.252 120.200 0.042 0.000 2.378 266 E HA 0.411 4.761 4.350 -0.000 0.000 0.265 266 E C -2.735 173.931 176.600 0.110 0.000 0.932 266 E CA -2.245 54.196 56.400 0.069 0.000 0.795 266 E CB 2.101 31.829 29.700 0.045 0.000 1.296 266 E HN -0.185 nan 8.360 nan 0.000 0.438 267 P HA 0.105 nan 4.420 nan 0.000 0.276 267 P C -0.811 176.622 177.300 0.221 0.000 1.244 267 P CA -0.484 62.748 63.100 0.221 0.000 0.801 267 P CB 0.540 32.395 31.700 0.258 0.000 1.006 268 F N 1.460 121.494 119.950 0.139 0.000 2.529 268 F HA 0.339 4.866 4.527 -0.000 0.000 0.365 268 F C 1.464 177.322 175.800 0.097 0.000 1.102 268 F CA 1.368 59.435 58.000 0.112 0.000 1.271 268 F CB -0.258 38.807 39.000 0.109 0.000 1.120 268 F HN 0.703 nan 8.300 nan 0.000 0.579 269 G N 5.840 114.406 108.800 -0.391 0.000 2.366 269 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.299 269 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.299 269 G C 0.577 175.520 174.900 0.071 0.000 1.020 269 G CA 0.715 45.752 45.100 -0.105 0.000 1.026 269 G HN 1.064 nan 8.290 nan 0.000 0.512 270 Y N 0.223 120.501 120.300 -0.037 0.000 2.030 270 Y HA -0.323 4.227 4.550 -0.000 0.000 0.272 270 Y C 2.618 178.524 175.900 0.009 0.000 1.185 270 Y CA 2.819 60.933 58.100 0.023 0.000 1.120 270 Y CB -0.151 38.339 38.460 0.051 0.000 0.955 270 Y HN 0.383 nan 8.280 nan 0.000 0.495 271 M N -0.114 119.626 119.600 0.233 0.000 2.374 271 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 271 M C 2.332 178.610 176.300 -0.036 0.000 1.067 271 M CA 1.350 56.678 55.300 0.048 0.000 1.103 271 M CB -1.739 30.913 32.600 0.085 0.000 1.402 271 M HN 0.543 nan 8.290 nan 0.000 0.444 272 G N -0.560 108.239 108.800 -0.003 0.000 2.430 272 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 272 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 272 G C 1.498 176.458 174.900 0.099 0.000 1.146 272 G CA 0.336 45.470 45.100 0.057 0.000 0.793 272 G HN 0.272 nan 8.290 nan 0.000 0.537 273 M N 0.360 119.935 119.600 -0.042 0.000 2.175 273 M HA 0.067 4.547 4.480 -0.000 0.000 0.264 273 M C 2.524 178.682 176.300 -0.236 0.000 1.063 273 M CA 0.844 56.060 55.300 -0.140 0.000 1.119 273 M CB -0.207 32.301 32.600 -0.154 0.000 1.377 273 M HN 0.054 nan 8.290 nan 0.000 0.415 274 V N -1.519 118.161 119.914 -0.391 0.000 2.307 274 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 274 V C 1.957 177.854 176.094 -0.329 0.000 1.045 274 V CA 1.925 63.858 62.300 -0.613 0.000 1.024 274 V CB -0.951 30.305 31.823 -0.945 0.000 0.651 274 V HN 0.772 nan 8.190 nan 0.000 0.449 275 W N 1.257 122.371 121.300 -0.310 0.000 2.335 275 W HA -0.223 4.437 4.660 -0.000 0.000 0.311 275 W C 2.428 178.868 176.519 -0.132 0.000 1.213 275 W CA 2.267 59.499 57.345 -0.188 0.000 1.274 275 W CB -0.456 28.925 29.460 -0.131 0.000 1.148 275 W HN 0.192 nan 8.180 nan 0.000 0.498 276 A N 0.740 123.531 122.820 -0.048 0.000 1.892 276 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 276 A C 2.059 179.457 177.584 -0.311 0.000 1.188 276 A CA 2.603 54.456 52.037 -0.306 0.000 0.631 276 A CB -0.996 17.960 19.000 -0.074 0.000 0.822 276 A HN 0.470 nan 8.150 nan 0.000 0.447 277 M N -2.243 117.242 119.600 -0.191 0.000 2.132 277 M HA -0.099 4.381 4.480 -0.000 0.000 0.263 277 M C 2.484 178.710 176.300 -0.124 0.000 1.065 277 M CA 1.978 57.227 55.300 -0.085 0.000 1.122 277 M CB -0.381 32.202 32.600 -0.029 0.000 1.365 277 M HN 0.490 nan 8.290 nan 0.000 0.411 278 M N 0.139 119.620 119.600 -0.200 0.000 2.108 278 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 278 M C 2.220 178.429 176.300 -0.153 0.000 1.066 278 M CA 1.714 56.926 55.300 -0.147 0.000 1.107 278 M CB -0.056 32.438 32.600 -0.175 0.000 1.356 278 M HN 0.126 nan 8.290 nan 0.000 0.406 279 S N 0.282 115.764 115.700 -0.363 0.000 2.345 279 S HA -0.095 4.375 4.470 -0.000 0.000 0.220 279 S C 1.763 176.264 174.600 -0.166 0.000 1.031 279 S CA 1.587 59.590 58.200 -0.328 0.000 0.996 279 S CB -0.527 62.218 63.200 -0.757 0.000 0.882 279 S HN 0.484 nan 8.310 nan 0.000 0.445 280 I N 1.623 122.070 120.570 -0.205 0.000 2.194 280 I HA -0.222 3.948 4.170 -0.000 0.000 0.246 280 I C 2.666 178.670 176.117 -0.189 0.000 1.093 280 I CA 1.280 62.469 61.300 -0.186 0.000 1.355 280 I CB -0.906 37.060 38.000 -0.056 0.000 1.046 280 I HN 0.385 nan 8.210 nan 0.000 0.413 281 G N 0.478 109.245 108.800 -0.054 0.000 2.446 281 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.217 281 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.217 281 G C 1.572 176.579 174.900 0.178 0.000 1.168 281 G CA 0.825 45.956 45.100 0.050 0.000 0.771 281 G HN 0.349 nan 8.290 nan 0.000 0.551 282 F N 1.198 121.154 119.950 0.009 0.000 2.098 282 F HA 0.155 4.682 4.527 -0.000 0.000 0.294 282 F C 2.492 178.334 175.800 0.071 0.000 1.107 282 F CA 0.912 58.956 58.000 0.072 0.000 1.234 282 F CB -0.416 38.585 39.000 0.001 0.000 1.002 282 F HN 0.032 nan 8.300 nan 0.000 0.472 283 L N 0.115 121.191 121.223 -0.245 0.000 2.079 283 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 283 L C 2.679 179.369 176.870 -0.300 0.000 1.081 283 L CA 1.259 55.894 54.840 -0.341 0.000 0.752 283 L CB -1.621 40.312 42.059 -0.209 0.000 0.896 283 L HN 0.357 nan 8.230 nan 0.000 0.433 284 G N -0.873 107.729 108.800 -0.330 0.000 2.527 284 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.219 284 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.219 284 G C 1.253 176.033 174.900 -0.200 0.000 1.117 284 G CA 0.327 45.235 45.100 -0.319 0.000 0.759 284 G HN 0.263 nan 8.290 nan 0.000 0.556 285 F N 0.110 119.961 119.950 -0.165 0.000 2.698 285 F HA 0.290 4.817 4.527 -0.000 0.000 0.295 285 F C 1.876 177.670 175.800 -0.010 0.000 1.124 285 F CA -0.052 57.845 58.000 -0.171 0.000 1.426 285 F CB 0.392 39.284 39.000 -0.180 0.000 1.120 285 F HN 0.214 nan 8.300 nan 0.000 0.583 286 I N -1.739 118.915 120.570 0.140 0.000 3.654 286 I HA 0.271 4.441 4.170 -0.000 0.000 0.337 286 I C 0.213 176.452 176.117 0.203 0.000 1.568 286 I CA -0.038 61.428 61.300 0.276 0.000 1.115 286 I CB 0.188 38.230 38.000 0.070 0.000 1.300 286 I HN -0.108 nan 8.210 nan 0.000 0.471 287 V N -3.495 116.552 119.914 0.221 0.000 3.392 287 V HA 0.199 4.319 4.120 -0.000 0.000 0.294 287 V C 1.673 177.725 176.094 -0.071 0.000 1.561 287 V CA -0.110 62.269 62.300 0.132 0.000 1.056 287 V CB -1.029 30.772 31.823 -0.037 0.000 0.882 287 V HN 0.723 nan 8.190 nan 0.000 0.440 288 W N 2.706 124.009 121.300 0.006 0.000 2.274 288 W HA -0.261 4.399 4.660 -0.000 0.000 0.314 288 W C 1.899 178.176 176.519 -0.403 0.000 1.254 288 W CA 2.548 59.825 57.345 -0.112 0.000 1.265 288 W CB -1.262 28.293 29.460 0.159 0.000 1.141 288 W HN 0.268 nan 8.180 nan 0.000 0.505 289 A N 1.762 123.798 122.820 -1.307 0.000 2.259 289 A HA -0.219 4.101 4.320 -0.000 0.000 0.212 289 A C 1.817 178.706 177.584 -1.157 0.000 1.178 289 A CA 1.389 52.599 52.037 -1.379 0.000 0.734 289 A CB -1.818 15.699 19.000 -2.471 0.000 0.774 289 A HN 0.817 nan 8.150 nan 0.000 0.481 290 H N -2.931 115.609 119.070 -0.883 0.000 2.559 290 H HA 0.014 4.570 4.556 -0.000 0.000 0.273 290 H C 0.794 175.248 175.328 -1.456 0.000 1.000 290 H CA 0.945 56.091 56.048 -1.503 0.000 1.195 290 H CB -0.378 28.892 29.762 -0.821 0.000 1.368 290 H HN 0.695 nan 8.280 nan 0.000 0.592 291 H N 0.518 119.021 119.070 -0.945 0.000 2.539 291 H HA 0.205 4.761 4.556 -0.000 0.000 0.267 291 H C 0.358 175.309 175.328 -0.629 0.000 0.982 291 H CA 0.293 55.797 56.048 -0.908 0.000 1.146 291 H CB 0.459 29.088 29.762 -1.889 0.000 1.382 291 H HN 0.435 nan 8.280 nan 0.000 0.577 292 M N -0.279 119.006 119.600 -0.525 0.000 3.181 292 M HA 0.117 4.597 4.480 -0.000 0.000 0.422 292 M C 0.096 176.291 176.300 -0.175 0.000 1.481 292 M CA -0.245 54.892 55.300 -0.271 0.000 0.783 292 M CB 0.558 33.050 32.600 -0.180 0.000 1.437 292 M HN -0.102 nan 8.290 nan 0.000 0.505 293 F N 0.989 120.780 119.950 -0.264 0.000 2.146 293 F HA -0.063 4.464 4.527 -0.000 0.000 0.298 293 F C 2.488 178.177 175.800 -0.186 0.000 1.096 293 F CA 1.493 59.370 58.000 -0.205 0.000 1.275 293 F CB -0.829 38.065 39.000 -0.176 0.000 1.008 293 F HN 0.246 nan 8.300 nan 0.000 0.480 294 T N -2.768 111.725 114.554 -0.102 0.000 3.330 294 T HA 0.236 4.586 4.350 -0.000 0.000 0.249 294 T C 1.255 175.933 174.700 -0.038 0.000 0.980 294 T CA 0.196 62.246 62.100 -0.082 0.000 0.920 294 T CB -0.376 68.419 68.868 -0.121 0.000 1.065 294 T HN -0.003 nan 8.240 nan 0.000 0.588 295 V N 0.236 120.141 119.914 -0.014 0.000 3.431 295 V HA 0.479 4.599 4.120 -0.000 0.000 0.253 295 V C 1.866 177.982 176.094 0.036 0.000 1.184 295 V CA 0.890 63.199 62.300 0.015 0.000 1.104 295 V CB 0.205 32.025 31.823 -0.005 0.000 0.799 295 V HN 0.825 nan 8.190 nan 0.000 0.462 296 G N 0.035 108.859 108.800 0.040 0.000 2.148 296 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.157 296 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.157 296 G C 0.001 174.938 174.900 0.061 0.000 1.012 296 G CA -0.127 45.003 45.100 0.049 0.000 0.677 296 G HN 0.326 nan 8.290 nan 0.000 0.506 297 M N 1.110 120.753 119.600 0.071 0.000 2.228 297 M HA 0.312 4.792 4.480 -0.000 0.000 0.326 297 M C 0.046 176.396 176.300 0.083 0.000 1.122 297 M CA -0.368 54.989 55.300 0.094 0.000 1.161 297 M CB 0.236 32.906 32.600 0.117 0.000 1.437 297 M HN 0.025 nan 8.290 nan 0.000 0.465 298 D N 1.285 121.741 120.400 0.094 0.000 2.458 298 D HA -0.029 4.611 4.640 -0.000 0.000 0.243 298 D C 0.992 177.334 176.300 0.070 0.000 1.146 298 D CA 0.000 54.045 54.000 0.075 0.000 0.877 298 D CB 1.015 41.861 40.800 0.078 0.000 1.176 298 D HN 0.408 nan 8.370 nan 0.000 0.461 299 V N 2.958 122.897 119.914 0.040 0.000 2.317 299 V HA -0.297 3.823 4.120 -0.000 0.000 0.251 299 V C 1.434 177.548 176.094 0.033 0.000 1.065 299 V CA 2.043 64.354 62.300 0.018 0.000 1.049 299 V CB -0.046 31.778 31.823 0.002 0.000 0.651 299 V HN 0.480 nan 8.190 nan 0.000 0.450 300 D N -0.504 119.925 120.400 0.048 0.000 2.117 300 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 300 D C 2.250 178.613 176.300 0.104 0.000 0.987 300 D CA 2.032 56.066 54.000 0.058 0.000 0.829 300 D CB -0.331 40.498 40.800 0.047 0.000 0.961 300 D HN 0.663 nan 8.370 nan 0.000 0.460 301 T N -1.048 113.590 114.554 0.140 0.000 3.023 301 T HA -0.034 4.316 4.350 -0.000 0.000 0.266 301 T C 1.914 176.828 174.700 0.356 0.000 1.093 301 T CA 0.563 62.813 62.100 0.251 0.000 1.129 301 T CB 0.151 69.176 68.868 0.261 0.000 0.899 301 T HN -0.046 nan 8.240 nan 0.000 0.491 302 R N 0.106 120.730 120.500 0.206 0.000 2.148 302 R HA 0.323 4.663 4.340 -0.000 0.000 0.223 302 R C 2.766 179.100 176.300 0.057 0.000 1.088 302 R CA 0.995 57.184 56.100 0.149 0.000 0.985 302 R CB -0.361 29.922 30.300 -0.028 0.000 0.880 302 R HN 0.525 nan 8.270 nan 0.000 0.451 303 A N 0.134 122.984 122.820 0.050 0.000 1.854 303 A HA -0.210 4.110 4.320 -0.000 0.000 0.214 303 A C 1.899 179.487 177.584 0.007 0.000 1.192 303 A CA 1.180 53.217 52.037 -0.000 0.000 0.611 303 A CB -0.844 18.162 19.000 0.009 0.000 0.832 303 A HN 0.464 nan 8.150 nan 0.000 0.442 304 Y N -0.086 120.197 120.300 -0.028 0.000 2.069 304 Y HA -0.292 4.258 4.550 -0.000 0.000 0.278 304 Y C 1.846 177.650 175.900 -0.159 0.000 1.175 304 Y CA 2.125 60.142 58.100 -0.138 0.000 1.134 304 Y CB -0.742 37.562 38.460 -0.259 0.000 0.965 304 Y HN 0.249 nan 8.280 nan 0.000 0.498 305 F N 0.253 120.025 119.950 -0.296 0.000 2.408 305 F HA -0.137 4.390 4.527 -0.000 0.000 0.300 305 F C 2.665 178.403 175.800 -0.104 0.000 1.090 305 F CA 1.663 59.478 58.000 -0.308 0.000 1.427 305 F CB -0.724 38.254 39.000 -0.036 0.000 1.070 305 F HN 0.295 nan 8.300 nan 0.000 0.549 306 T N -4.083 110.521 114.554 0.083 0.000 2.976 306 T HA -0.050 4.300 4.350 -0.000 0.000 0.257 306 T C 2.183 176.843 174.700 -0.066 0.000 1.051 306 T CA 1.151 63.290 62.100 0.065 0.000 1.141 306 T CB -0.513 68.326 68.868 -0.048 0.000 0.881 306 T HN 0.082 nan 8.240 nan 0.000 0.461 307 S N 2.132 117.743 115.700 -0.147 0.000 2.348 307 S HA 0.089 4.559 4.470 -0.000 0.000 0.221 307 S C 2.639 177.119 174.600 -0.200 0.000 1.033 307 S CA 1.186 59.296 58.200 -0.150 0.000 1.010 307 S CB -1.020 62.098 63.200 -0.137 0.000 0.891 307 S HN 0.773 nan 8.310 nan 0.000 0.442 308 A N 1.334 123.916 122.820 -0.397 0.000 1.908 308 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 308 A C 2.303 179.766 177.584 -0.201 0.000 1.181 308 A CA 2.120 53.938 52.037 -0.364 0.000 0.627 308 A CB -1.390 17.209 19.000 -0.667 0.000 0.818 308 A HN 0.490 nan 8.150 nan 0.000 0.445 309 T N -0.102 114.369 114.554 -0.138 0.000 2.881 309 T HA -0.101 4.249 4.350 -0.000 0.000 0.270 309 T C 1.838 176.502 174.700 -0.060 0.000 1.068 309 T CA 1.651 63.719 62.100 -0.052 0.000 1.131 309 T CB -0.278 68.606 68.868 0.026 0.000 0.871 309 T HN 0.469 nan 8.240 nan 0.000 0.479 310 M N 0.834 120.398 119.600 -0.060 0.000 2.200 310 M HA 0.111 4.591 4.480 -0.000 0.000 0.265 310 M C 2.300 178.588 176.300 -0.020 0.000 1.066 310 M CA 1.074 56.352 55.300 -0.037 0.000 1.127 310 M CB -0.492 32.087 32.600 -0.034 0.000 1.379 310 M HN 0.326 nan 8.290 nan 0.000 0.420 311 I N -1.137 119.414 120.570 -0.031 0.000 2.530 311 I HA -0.244 3.926 4.170 -0.000 0.000 0.257 311 I C 1.871 177.988 176.117 0.000 0.000 1.179 311 I CA 1.367 62.664 61.300 -0.005 0.000 1.440 311 I CB -0.785 37.213 38.000 -0.002 0.000 1.087 311 I HN 0.237 nan 8.210 nan 0.000 0.440 312 I N 2.165 122.723 120.570 -0.021 0.000 2.567 312 I HA -0.215 3.955 4.170 -0.000 0.000 0.257 312 I C 2.984 179.126 176.117 0.042 0.000 1.184 312 I CA 1.144 62.436 61.300 -0.013 0.000 1.451 312 I CB -0.662 37.331 38.000 -0.012 0.000 1.089 312 I HN 0.345 nan 8.210 nan 0.000 0.441 313 A N 1.388 124.237 122.820 0.048 0.000 2.019 313 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 313 A C 2.263 179.899 177.584 0.086 0.000 1.164 313 A CA 1.280 53.358 52.037 0.068 0.000 0.644 313 A CB -0.548 18.482 19.000 0.050 0.000 0.805 313 A HN 0.369 nan 8.150 nan 0.000 0.449 314 I N 0.402 121.024 120.570 0.086 0.000 2.090 314 I HA -0.153 4.017 4.170 -0.000 0.000 0.236 314 I C -0.230 175.976 176.117 0.149 0.000 1.064 314 I CA 1.550 62.930 61.300 0.132 0.000 1.324 314 I CB -1.192 36.898 38.000 0.151 0.000 1.044 314 I HN 0.234 nan 8.210 nan 0.000 0.399 315 P HA -0.144 nan 4.420 nan 0.000 0.215 315 P C 1.584 178.884 177.300 -0.000 0.000 1.153 315 P CA 1.788 64.867 63.100 -0.036 0.000 0.853 315 P CB -0.331 31.147 31.700 -0.371 0.000 0.788 316 T N -0.241 114.332 114.554 0.032 0.000 2.759 316 T HA -0.113 4.237 4.350 -0.000 0.000 0.269 316 T C 2.144 176.833 174.700 -0.019 0.000 1.042 316 T CA 1.843 63.976 62.100 0.056 0.000 1.140 316 T CB -1.225 67.781 68.868 0.230 0.000 0.864 316 T HN 0.226 nan 8.240 nan 0.000 0.455 317 G N 1.737 110.562 108.800 0.042 0.000 2.459 317 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 317 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 317 G C 1.850 176.794 174.900 0.073 0.000 1.183 317 G CA 1.333 46.458 45.100 0.042 0.000 0.776 317 G HN 0.558 nan 8.290 nan 0.000 0.552 318 V N -0.256 119.749 119.914 0.152 0.000 2.568 318 V HA -0.124 3.996 4.120 -0.000 0.000 0.253 318 V C 2.383 178.446 176.094 -0.053 0.000 1.072 318 V CA 2.610 65.002 62.300 0.153 0.000 1.084 318 V CB -0.483 31.477 31.823 0.230 0.000 0.676 318 V HN 0.384 nan 8.190 nan 0.000 0.469 319 K N 0.178 120.426 120.400 -0.253 0.000 1.984 319 K HA -0.022 4.298 4.320 -0.000 0.000 0.209 319 K C 2.270 178.383 176.600 -0.811 0.000 1.046 319 K CA 1.592 57.468 56.287 -0.685 0.000 0.934 319 K CB -0.596 31.324 32.500 -0.967 0.000 0.717 319 K HN 0.441 nan 8.250 nan 0.000 0.438 320 V N 1.326 120.920 119.914 -0.533 0.000 2.282 320 V HA -0.264 3.856 4.120 -0.000 0.000 0.249 320 V C 2.159 178.131 176.094 -0.203 0.000 1.057 320 V CA 1.884 64.042 62.300 -0.237 0.000 1.032 320 V CB -0.555 31.113 31.823 -0.259 0.000 0.645 320 V HN 0.167 nan 8.190 nan 0.000 0.447 321 F N 0.265 120.199 119.950 -0.026 0.000 2.234 321 F HA -0.096 4.431 4.527 -0.000 0.000 0.299 321 F C 2.655 178.386 175.800 -0.116 0.000 1.087 321 F CA 1.414 59.386 58.000 -0.047 0.000 1.340 321 F CB -1.047 37.916 39.000 -0.062 0.000 1.031 321 F HN 0.036 nan 8.300 nan 0.000 0.500 322 S N -1.107 114.596 115.700 0.005 0.000 2.383 322 S HA -0.173 4.297 4.470 -0.000 0.000 0.227 322 S C 1.857 176.517 174.600 0.101 0.000 1.026 322 S CA 0.930 59.130 58.200 -0.000 0.000 0.981 322 S CB -0.379 62.846 63.200 0.042 0.000 0.818 322 S HN 0.399 nan 8.310 nan 0.000 0.472 323 W N 0.948 122.286 121.300 0.063 0.000 2.402 323 W HA 0.099 4.759 4.660 -0.000 0.000 0.286 323 W C 1.715 178.269 176.519 0.057 0.000 1.221 323 W CA 0.108 57.493 57.345 0.066 0.000 1.257 323 W CB -1.023 28.468 29.460 0.052 0.000 1.120 323 W HN 0.301 nan 8.180 nan 0.000 0.551 324 L N 0.497 121.887 121.223 0.278 0.000 2.109 324 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 324 L C 2.640 179.559 176.870 0.082 0.000 1.086 324 L CA 2.087 57.032 54.840 0.175 0.000 0.760 324 L CB -1.609 40.559 42.059 0.180 0.000 0.910 324 L HN -0.113 nan 8.230 nan 0.000 0.437 325 A N -1.636 121.166 122.820 -0.031 0.000 1.969 325 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 325 A C 2.312 179.964 177.584 0.113 0.000 1.169 325 A CA 2.066 53.992 52.037 -0.185 0.000 0.635 325 A CB -0.850 17.607 19.000 -0.906 0.000 0.810 325 A HN 0.429 nan 8.150 nan 0.000 0.445 326 T N 0.347 115.028 114.554 0.212 0.000 2.821 326 T HA -0.039 4.311 4.350 -0.000 0.000 0.267 326 T C 1.747 176.563 174.700 0.193 0.000 1.046 326 T CA 1.231 63.493 62.100 0.269 0.000 1.139 326 T CB -0.313 68.731 68.868 0.293 0.000 0.871 326 T HN 0.367 nan 8.240 nan 0.000 0.454 327 L N 0.136 121.456 121.223 0.162 0.000 2.191 327 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 327 L C 2.374 179.328 176.870 0.139 0.000 1.103 327 L CA 0.887 55.790 54.840 0.105 0.000 0.769 327 L CB -0.583 41.524 42.059 0.079 0.000 0.908 327 L HN 0.323 nan 8.230 nan 0.000 0.438 328 H N 0.803 119.903 119.070 0.049 0.000 2.710 328 H HA -0.265 4.291 4.556 -0.000 0.000 0.252 328 H C 1.820 177.170 175.328 0.037 0.000 1.043 328 H CA 1.830 57.903 56.048 0.042 0.000 1.324 328 H CB -0.819 28.970 29.762 0.045 0.000 1.780 328 H HN 0.231 nan 8.280 nan 0.000 0.894 329 G N 0.199 108.869 108.800 -0.216 0.000 2.956 329 G HA2 0.144 4.104 3.960 -0.000 0.000 0.207 329 G HA3 0.144 4.104 3.960 -0.000 0.000 0.207 329 G C 0.736 175.579 174.900 -0.095 0.000 1.162 329 G CA 0.475 45.414 45.100 -0.267 0.000 0.796 329 G HN 0.704 nan 8.290 nan 0.000 0.527 330 G N 0.265 109.046 108.800 -0.032 0.000 2.562 330 G HA2 0.156 4.116 3.960 -0.000 0.000 0.233 330 G HA3 0.156 4.116 3.960 -0.000 0.000 0.233 330 G C 0.074 174.951 174.900 -0.039 0.000 1.266 330 G CA -0.414 44.669 45.100 -0.029 0.000 0.852 330 G HN 0.288 nan 8.290 nan 0.000 0.581 331 N N 1.031 119.699 118.700 -0.052 0.000 2.918 331 N HA 0.181 4.921 4.740 -0.000 0.000 0.247 331 N C -0.122 175.352 175.510 -0.059 0.000 1.117 331 N CA -0.647 52.375 53.050 -0.047 0.000 1.005 331 N CB -0.047 38.404 38.487 -0.060 0.000 1.297 331 N HN 0.230 nan 8.380 nan 0.000 0.513 332 I N 1.637 122.173 120.570 -0.056 0.000 2.683 332 I HA 0.001 4.171 4.170 -0.000 0.000 0.286 332 I C 0.862 176.919 176.117 -0.100 0.000 1.175 332 I CA 0.500 61.723 61.300 -0.128 0.000 1.429 332 I CB 0.428 38.284 38.000 -0.240 0.000 1.371 332 I HN 0.376 nan 8.210 nan 0.000 0.569 333 K N 6.217 126.553 120.400 -0.107 0.000 2.425 333 K HA 0.248 4.568 4.320 -0.000 0.000 0.259 333 K C -1.014 175.535 176.600 -0.086 0.000 0.978 333 K CA -0.567 55.730 56.287 0.017 0.000 0.883 333 K CB 0.524 33.107 32.500 0.138 0.000 1.110 333 K HN 0.474 nan 8.250 nan 0.000 0.436 334 W N 4.525 125.805 121.300 -0.032 0.000 1.317 334 W HA 0.014 4.674 4.660 -0.000 0.000 0.492 334 W C 0.530 176.959 176.519 -0.150 0.000 0.581 334 W CA -0.354 56.928 57.345 -0.106 0.000 2.503 334 W CB -0.355 29.045 29.460 -0.101 0.000 1.157 334 W HN 0.458 nan 8.180 nan 0.000 0.299 335 S N -0.435 115.209 115.700 -0.095 0.000 2.614 335 S HA 0.262 4.732 4.470 -0.000 0.000 0.265 335 S C -1.449 173.010 174.600 -0.236 0.000 1.303 335 S CA -1.134 56.968 58.200 -0.164 0.000 1.000 335 S CB 1.507 64.479 63.200 -0.379 0.000 0.935 335 S HN -0.043 nan 8.310 nan 0.000 0.551 336 P HA -0.107 nan 4.420 nan 0.000 0.214 336 P C 1.690 178.914 177.300 -0.126 0.000 1.163 336 P CA 2.207 65.240 63.100 -0.110 0.000 0.889 336 P CB -0.298 31.446 31.700 0.073 0.000 0.790 337 A N -1.095 121.665 122.820 -0.099 0.000 1.978 337 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 337 A C 2.197 179.604 177.584 -0.296 0.000 1.170 337 A CA 2.140 54.126 52.037 -0.084 0.000 0.636 337 A CB -1.452 17.442 19.000 -0.177 0.000 0.810 337 A HN 0.143 nan 8.150 nan 0.000 0.448 338 M N -0.769 118.483 119.600 -0.579 0.000 2.296 338 M HA 0.014 4.494 4.480 -0.000 0.000 0.265 338 M C 1.896 177.951 176.300 -0.410 0.000 1.064 338 M CA 1.620 56.609 55.300 -0.520 0.000 1.109 338 M CB -0.585 31.648 32.600 -0.612 0.000 1.396 338 M HN 0.413 nan 8.290 nan 0.000 0.430 339 M N -2.120 117.181 119.600 -0.497 0.000 2.200 339 M HA -0.143 4.337 4.480 -0.000 0.000 0.265 339 M C 1.726 177.558 176.300 -0.779 0.000 1.066 339 M CA 1.641 56.469 55.300 -0.787 0.000 1.127 339 M CB -0.497 31.327 32.600 -1.293 0.000 1.379 339 M HN 0.363 nan 8.290 nan 0.000 0.420 340 W N 0.172 121.202 121.300 -0.449 0.000 2.402 340 W HA -0.076 4.584 4.660 -0.000 0.000 0.286 340 W C 2.644 179.207 176.519 0.073 0.000 1.221 340 W CA 0.952 58.231 57.345 -0.110 0.000 1.257 340 W CB -0.283 29.123 29.460 -0.091 0.000 1.120 340 W HN 0.206 nan 8.180 nan 0.000 0.551 341 A N 0.171 123.067 122.820 0.126 0.000 1.855 341 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 341 A C 1.900 179.554 177.584 0.117 0.000 1.191 341 A CA 1.301 53.356 52.037 0.030 0.000 0.613 341 A CB -1.023 17.886 19.000 -0.152 0.000 0.829 341 A HN 0.248 nan 8.150 nan 0.000 0.442 342 L N -0.460 120.790 121.223 0.045 0.000 2.083 342 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 342 L C 2.824 179.885 176.870 0.317 0.000 1.083 342 L CA 1.050 55.956 54.840 0.110 0.000 0.752 342 L CB -0.873 41.186 42.059 0.001 0.000 0.899 342 L HN 0.493 nan 8.230 nan 0.000 0.433 343 G N -0.059 109.010 108.800 0.448 0.000 2.459 343 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.217 343 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.217 343 G C 1.481 176.812 174.900 0.719 0.000 1.183 343 G CA 0.840 46.419 45.100 0.799 0.000 0.776 343 G HN 0.310 nan 8.290 nan 0.000 0.552 344 F N 1.662 121.958 119.950 0.577 0.000 2.065 344 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 344 F C 2.553 178.509 175.800 0.260 0.000 1.112 344 F CA 1.663 59.870 58.000 0.346 0.000 1.212 344 F CB -0.333 38.809 39.000 0.235 0.000 0.975 344 F HN 0.127 nan 8.300 nan 0.000 0.476 345 I N -0.741 120.111 120.570 0.469 0.000 2.145 345 I HA -0.347 3.823 4.170 -0.000 0.000 0.244 345 I C 2.348 178.663 176.117 0.330 0.000 1.075 345 I CA 1.903 63.425 61.300 0.369 0.000 1.332 345 I CB -0.702 37.478 38.000 0.301 0.000 1.033 345 I HN 0.263 nan 8.210 nan 0.000 0.410 346 F N 0.889 120.951 119.950 0.187 0.000 2.179 346 F HA -0.076 4.451 4.527 -0.000 0.000 0.292 346 F C 2.090 177.946 175.800 0.094 0.000 1.089 346 F CA 1.209 59.295 58.000 0.145 0.000 1.295 346 F CB -0.249 38.851 39.000 0.167 0.000 1.041 346 F HN -0.167 nan 8.300 nan 0.000 0.487 347 L N -0.207 120.977 121.223 -0.066 0.000 2.046 347 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 347 L C 2.347 179.068 176.870 -0.248 0.000 1.077 347 L CA 1.755 56.455 54.840 -0.232 0.000 0.747 347 L CB -1.773 40.127 42.059 -0.265 0.000 0.896 347 L HN 0.301 nan 8.230 nan 0.000 0.432 348 F N 0.070 119.780 119.950 -0.401 0.000 2.171 348 F HA -0.240 4.287 4.527 -0.000 0.000 0.300 348 F C 2.341 177.996 175.800 -0.241 0.000 1.090 348 F CA 1.951 59.698 58.000 -0.422 0.000 1.293 348 F CB -0.571 37.952 39.000 -0.796 0.000 1.013 348 F HN 0.046 nan 8.300 nan 0.000 0.486 349 T N 0.421 114.794 114.554 -0.302 0.000 2.622 349 T HA -0.204 4.146 4.350 -0.000 0.000 0.266 349 T C 2.177 176.632 174.700 -0.408 0.000 1.047 349 T CA 1.950 63.862 62.100 -0.314 0.000 1.159 349 T CB -0.882 67.923 68.868 -0.105 0.000 0.863 349 T HN 0.144 nan 8.240 nan 0.000 0.422 350 V N 1.364 120.990 119.914 -0.481 0.000 2.278 350 V HA -0.227 3.893 4.120 -0.000 0.000 0.251 350 V C 2.813 178.663 176.094 -0.407 0.000 1.062 350 V CA 2.237 64.270 62.300 -0.445 0.000 1.038 350 V CB -1.323 30.189 31.823 -0.517 0.000 0.646 350 V HN 0.674 nan 8.190 nan 0.000 0.447 351 G N -0.751 107.812 108.800 -0.395 0.000 2.422 351 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.218 351 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.218 351 G C 1.495 176.200 174.900 -0.324 0.000 1.146 351 G CA 0.830 45.709 45.100 -0.370 0.000 0.769 351 G HN 0.634 nan 8.290 nan 0.000 0.547 352 G N -0.145 108.346 108.800 -0.516 0.000 2.712 352 G HA2 0.120 4.080 3.960 -0.000 0.000 0.212 352 G HA3 0.120 4.080 3.960 -0.000 0.000 0.212 352 G C 1.492 176.275 174.900 -0.194 0.000 1.142 352 G CA 0.262 45.133 45.100 -0.383 0.000 0.789 352 G HN 0.319 nan 8.290 nan 0.000 0.535 353 L N 0.052 121.148 121.223 -0.212 0.000 2.168 353 L HA 0.209 4.549 4.340 -0.000 0.000 0.203 353 L C 2.786 179.591 176.870 -0.108 0.000 1.078 353 L CA 1.534 56.292 54.840 -0.136 0.000 0.780 353 L CB -0.715 41.256 42.059 -0.147 0.000 0.939 353 L HN 0.126 nan 8.230 nan 0.000 0.451 354 T N -1.285 113.184 114.554 -0.141 0.000 2.962 354 T HA -0.074 4.276 4.350 -0.000 0.000 0.270 354 T C 1.485 176.116 174.700 -0.114 0.000 1.088 354 T CA 1.142 63.171 62.100 -0.119 0.000 1.127 354 T CB -0.253 68.469 68.868 -0.245 0.000 0.883 354 T HN 0.508 nan 8.240 nan 0.000 0.493 355 G N 0.037 108.764 108.800 -0.122 0.000 2.880 355 G HA2 0.074 4.034 3.960 -0.000 0.000 0.209 355 G HA3 0.074 4.034 3.960 -0.000 0.000 0.209 355 G C 1.286 176.056 174.900 -0.216 0.000 1.157 355 G CA -0.093 44.794 45.100 -0.355 0.000 0.779 355 G HN 0.421 nan 8.290 nan 0.000 0.539 356 I N 0.599 121.102 120.570 -0.112 0.000 2.703 356 I HA 0.018 4.188 4.170 -0.000 0.000 0.259 356 I C 2.702 178.783 176.117 -0.059 0.000 1.151 356 I CA 0.503 61.757 61.300 -0.076 0.000 1.470 356 I CB -0.294 37.679 38.000 -0.045 0.000 1.112 356 I HN -0.008 nan 8.210 nan 0.000 0.437 357 V N 1.382 121.275 119.914 -0.034 0.000 2.255 357 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 357 V C 2.507 178.591 176.094 -0.017 0.000 1.051 357 V CA 1.605 63.903 62.300 -0.003 0.000 1.018 357 V CB -0.564 31.309 31.823 0.084 0.000 0.641 357 V HN 0.324 nan 8.190 nan 0.000 0.445 358 L N 0.057 121.262 121.223 -0.029 0.000 2.353 358 L HA -0.106 4.234 4.340 -0.000 0.000 0.220 358 L C 2.530 179.384 176.870 -0.027 0.000 1.133 358 L CA 1.007 55.818 54.840 -0.049 0.000 0.798 358 L CB -0.721 41.233 42.059 -0.175 0.000 0.922 358 L HN 0.374 nan 8.230 nan 0.000 0.445 359 A N -0.459 122.328 122.820 -0.055 0.000 2.014 359 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 359 A C 0.990 178.632 177.584 0.097 0.000 1.163 359 A CA 0.493 52.537 52.037 0.012 0.000 0.652 359 A CB -0.409 18.561 19.000 -0.050 0.000 0.808 359 A HN 0.415 nan 8.150 nan 0.000 0.449 360 N N 1.503 120.201 118.700 -0.004 0.000 2.406 360 N HA 0.058 4.798 4.740 -0.000 0.000 0.265 360 N C 1.134 176.532 175.510 -0.187 0.000 1.203 360 N CA 0.665 53.660 53.050 -0.093 0.000 0.945 360 N CB 1.060 39.497 38.487 -0.082 0.000 1.165 360 N HN 0.532 nan 8.380 nan 0.000 0.485 361 S N 1.878 117.258 115.700 -0.533 0.000 2.368 361 S HA -0.230 4.240 4.470 -0.000 0.000 0.225 361 S C 2.149 176.512 174.600 -0.394 0.000 1.030 361 S CA 1.403 59.032 58.200 -0.951 0.000 0.999 361 S CB -0.409 61.841 63.200 -1.582 0.000 0.844 361 S HN 0.639 nan 8.310 nan 0.000 0.459 362 S N 3.064 118.596 115.700 -0.281 0.000 2.365 362 S HA -0.124 4.346 4.470 -0.000 0.000 0.221 362 S C 1.840 176.373 174.600 -0.111 0.000 1.037 362 S CA 1.378 59.481 58.200 -0.161 0.000 1.060 362 S CB -1.097 62.029 63.200 -0.124 0.000 0.974 362 S HN 0.390 nan 8.310 nan 0.000 0.427 363 L N 2.513 123.675 121.223 -0.102 0.000 2.201 363 L HA 0.068 4.408 4.340 -0.000 0.000 0.212 363 L C 1.922 178.762 176.870 -0.051 0.000 1.105 363 L CA 1.978 56.772 54.840 -0.076 0.000 0.775 363 L CB -1.009 41.001 42.059 -0.080 0.000 0.913 363 L HN 0.372 nan 8.230 nan 0.000 0.440 364 D N -1.124 119.260 120.400 -0.027 0.000 2.310 364 D HA -0.181 4.459 4.640 -0.000 0.000 0.212 364 D C 2.092 178.446 176.300 0.090 0.000 0.965 364 D CA 0.584 54.628 54.000 0.072 0.000 0.879 364 D CB 0.029 40.978 40.800 0.249 0.000 0.921 364 D HN 0.310 nan 8.370 nan 0.000 0.510 365 I N 0.179 120.764 120.570 0.025 0.000 2.208 365 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 365 I C 2.262 178.420 176.117 0.068 0.000 1.097 365 I CA 1.118 62.441 61.300 0.040 0.000 1.363 365 I CB -0.267 37.730 38.000 -0.004 0.000 1.051 365 I HN 0.173 nan 8.210 nan 0.000 0.413 366 V N -2.787 117.145 119.914 0.031 0.000 3.647 366 V HA 0.180 4.300 4.120 -0.000 0.000 0.279 366 V C 1.572 177.671 176.094 0.009 0.000 1.314 366 V CA 0.619 62.933 62.300 0.023 0.000 1.125 366 V CB -0.153 31.667 31.823 -0.006 0.000 0.907 366 V HN 0.300 nan 8.190 nan 0.000 0.434 367 L N -0.260 120.973 121.223 0.017 0.000 2.470 367 L HA 0.360 4.700 4.340 -0.000 0.000 0.219 367 L C 1.319 178.233 176.870 0.074 0.000 1.071 367 L CA -0.018 54.819 54.840 -0.005 0.000 0.850 367 L CB -0.276 41.733 42.059 -0.083 0.000 1.040 367 L HN 0.492 nan 8.230 nan 0.000 0.475 368 H N 1.190 120.278 119.070 0.029 0.000 3.038 368 H HA -0.129 4.427 4.556 -0.000 0.000 0.338 368 H C 0.328 175.682 175.328 0.043 0.000 1.041 368 H CA 0.670 56.743 56.048 0.041 0.000 1.394 368 H CB 0.158 29.952 29.762 0.053 0.000 1.357 368 H HN 0.124 nan 8.280 nan 0.000 0.600 369 D N 2.126 122.063 120.400 -0.772 0.000 2.708 369 D HA -0.206 4.434 4.640 -0.000 0.000 0.236 369 D C -0.421 175.740 176.300 -0.233 0.000 1.146 369 D CA 1.458 55.119 54.000 -0.565 0.000 0.662 369 D CB -0.837 39.536 40.800 -0.710 0.000 1.059 369 D HN 0.800 nan 8.370 nan 0.000 0.428 370 T N -4.161 110.317 114.554 -0.125 0.000 2.831 370 T HA 0.413 4.763 4.350 -0.000 0.000 0.287 370 T C 0.931 175.619 174.700 -0.021 0.000 1.070 370 T CA -0.723 61.351 62.100 -0.044 0.000 1.010 370 T CB 0.896 69.763 68.868 -0.002 0.000 1.264 370 T HN -0.102 nan 8.240 nan 0.000 0.532 371 Y N -0.456 119.777 120.300 -0.112 0.000 2.616 371 Y HA 0.112 4.662 4.550 -0.000 0.000 0.296 371 Y C 1.986 177.817 175.900 -0.115 0.000 1.154 371 Y CA 0.369 58.397 58.100 -0.121 0.000 1.325 371 Y CB -0.528 37.830 38.460 -0.171 0.000 1.007 371 Y HN 0.794 nan 8.280 nan 0.000 0.542 372 Y N -0.338 119.908 120.300 -0.090 0.000 2.181 372 Y HA -0.220 4.330 4.550 -0.000 0.000 0.288 372 Y C 2.538 178.332 175.900 -0.177 0.000 1.146 372 Y CA 1.707 59.713 58.100 -0.156 0.000 1.164 372 Y CB -0.507 37.896 38.460 -0.094 0.000 0.982 372 Y HN -0.000 nan 8.280 nan 0.000 0.515 373 V N -1.123 118.794 119.914 0.004 0.000 2.809 373 V HA -0.115 4.005 4.120 -0.000 0.000 0.256 373 V C 1.787 177.780 176.094 -0.170 0.000 1.080 373 V CA 1.712 64.011 62.300 -0.001 0.000 1.102 373 V CB -0.809 31.099 31.823 0.143 0.000 0.705 373 V HN 0.235 nan 8.190 nan 0.000 0.475 374 V N 1.047 120.733 119.914 -0.380 0.000 2.453 374 V HA -0.064 4.056 4.120 -0.000 0.000 0.247 374 V C 3.042 178.695 176.094 -0.736 0.000 1.048 374 V CA 1.848 63.686 62.300 -0.771 0.000 1.049 374 V CB -1.241 30.165 31.823 -0.696 0.000 0.672 374 V HN 0.670 nan 8.190 nan 0.000 0.457 375 A N 0.203 122.694 122.820 -0.549 0.000 1.845 375 A HA -0.293 4.027 4.320 -0.000 0.000 0.215 375 A C 2.119 179.384 177.584 -0.532 0.000 1.195 375 A CA 2.296 53.978 52.037 -0.590 0.000 0.616 375 A CB -0.959 17.342 19.000 -1.164 0.000 0.832 375 A HN 0.736 nan 8.150 nan 0.000 0.443 376 H N 0.281 118.960 119.070 -0.651 0.000 2.255 376 H HA -0.270 4.286 4.556 -0.000 0.000 0.290 376 H C 1.649 176.816 175.328 -0.269 0.000 1.087 376 H CA 2.887 58.670 56.048 -0.442 0.000 1.213 376 H CB -0.778 28.787 29.762 -0.327 0.000 1.349 376 H HN 0.613 nan 8.280 nan 0.000 0.487 377 F N -1.478 118.188 119.950 -0.473 0.000 2.502 377 F HA 0.094 4.621 4.527 -0.000 0.000 0.298 377 F C 1.884 177.312 175.800 -0.620 0.000 1.111 377 F CA 0.906 58.530 58.000 -0.627 0.000 1.445 377 F CB -0.885 37.876 39.000 -0.399 0.000 1.081 377 F HN 0.189 nan 8.300 nan 0.000 0.558 378 H N -1.639 116.960 119.070 -0.785 0.000 2.470 378 H HA 0.001 4.557 4.556 -0.000 0.000 0.289 378 H C 1.405 176.302 175.328 -0.720 0.000 1.033 378 H CA 1.777 57.251 56.048 -0.957 0.000 1.331 378 H CB -0.289 28.285 29.762 -1.979 0.000 1.414 378 H HN 0.255 nan 8.280 nan 0.000 0.545 379 Y N -0.129 119.829 120.300 -0.571 0.000 2.184 379 Y HA -0.177 4.373 4.550 -0.000 0.000 0.290 379 Y C 2.527 178.184 175.900 -0.405 0.000 1.129 379 Y CA 1.355 59.191 58.100 -0.439 0.000 1.144 379 Y CB -0.324 37.913 38.460 -0.373 0.000 0.995 379 Y HN 0.166 nan 8.280 nan 0.000 0.513 380 V N -2.558 117.199 119.914 -0.262 0.000 2.871 380 V HA -0.085 4.035 4.120 -0.000 0.000 0.256 380 V C 1.611 177.615 176.094 -0.150 0.000 1.082 380 V CA 1.250 63.439 62.300 -0.185 0.000 1.105 380 V CB -0.651 31.044 31.823 -0.213 0.000 0.713 380 V HN 0.331 nan 8.190 nan 0.000 0.473 381 L N -0.156 120.923 121.223 -0.240 0.000 2.262 381 L HA 0.148 4.488 4.340 -0.000 0.000 0.197 381 L C 2.739 179.515 176.870 -0.158 0.000 1.073 381 L CA 1.253 55.967 54.840 -0.209 0.000 0.800 381 L CB -0.554 41.331 42.059 -0.291 0.000 0.987 381 L HN 0.168 nan 8.230 nan 0.000 0.470 382 S N 0.206 115.771 115.700 -0.225 0.000 2.428 382 S HA 0.034 4.504 4.470 -0.000 0.000 0.230 382 S C 1.331 175.881 174.600 -0.084 0.000 1.014 382 S CA 1.031 59.180 58.200 -0.085 0.000 0.957 382 S CB 0.061 63.245 63.200 -0.027 0.000 0.784 382 S HN 0.377 nan 8.310 nan 0.000 0.499 383 M N -1.070 118.321 119.600 -0.349 0.000 2.809 383 M HA 0.491 4.971 4.480 -0.000 0.000 0.388 383 M C 0.691 176.649 176.300 -0.570 0.000 1.248 383 M CA -0.241 54.546 55.300 -0.855 0.000 0.885 383 M CB 0.687 32.583 32.600 -1.174 0.000 1.386 383 M HN 0.132 nan 8.290 nan 0.000 0.509 384 G N 0.724 109.445 108.800 -0.132 0.000 2.509 384 G HA2 0.424 4.384 3.960 -0.000 0.000 0.168 384 G HA3 0.424 4.384 3.960 -0.000 0.000 0.168 384 G C 1.029 176.167 174.900 0.397 0.000 1.415 384 G CA 0.567 45.692 45.100 0.041 0.000 0.686 384 G HN 0.313 nan 8.290 nan 0.000 0.677 385 A N 0.383 123.320 122.820 0.195 0.000 1.865 385 A HA 0.054 4.374 4.320 -0.000 0.000 0.217 385 A C 2.506 180.186 177.584 0.159 0.000 1.191 385 A CA 2.466 54.590 52.037 0.145 0.000 0.623 385 A CB -0.940 18.060 19.000 0.001 0.000 0.826 385 A HN 0.543 nan 8.150 nan 0.000 0.444 386 V N -1.349 118.660 119.914 0.158 0.000 2.515 386 V HA -0.192 3.928 4.120 -0.000 0.000 0.250 386 V C 2.272 178.517 176.094 0.252 0.000 1.058 386 V CA 1.709 64.110 62.300 0.169 0.000 1.064 386 V CB -0.921 31.007 31.823 0.175 0.000 0.675 386 V HN 0.519 nan 8.190 nan 0.000 0.461 387 F N 0.734 120.779 119.950 0.157 0.000 2.259 387 F HA 0.005 4.532 4.527 -0.000 0.000 0.298 387 F C 2.338 178.221 175.800 0.138 0.000 1.088 387 F CA 0.747 58.915 58.000 0.281 0.000 1.358 387 F CB -1.036 38.320 39.000 0.593 0.000 1.040 387 F HN 0.108 nan 8.300 nan 0.000 0.505 388 A N 0.278 123.276 122.820 0.297 0.000 1.873 388 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 388 A C 2.345 179.870 177.584 -0.098 0.000 1.186 388 A CA 1.340 53.364 52.037 -0.021 0.000 0.616 388 A CB -1.030 17.885 19.000 -0.141 0.000 0.823 388 A HN 0.300 nan 8.150 nan 0.000 0.442 389 I N -0.443 120.095 120.570 -0.052 0.000 2.194 389 I HA -0.336 3.834 4.170 -0.000 0.000 0.246 389 I C 2.620 178.697 176.117 -0.067 0.000 1.093 389 I CA 1.513 62.787 61.300 -0.044 0.000 1.355 389 I CB -0.329 37.697 38.000 0.044 0.000 1.046 389 I HN 0.329 nan 8.210 nan 0.000 0.413 390 M N -0.019 119.394 119.600 -0.312 0.000 2.099 390 M HA -0.085 4.395 4.480 -0.000 0.000 0.262 390 M C 2.435 178.448 176.300 -0.479 0.000 1.067 390 M CA 1.849 56.781 55.300 -0.613 0.000 1.124 390 M CB -1.912 29.649 32.600 -1.732 0.000 1.353 390 M HN 0.283 nan 8.290 nan 0.000 0.410 391 G N 0.104 108.661 108.800 -0.406 0.000 2.459 391 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.217 391 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.217 391 G C 1.585 176.458 174.900 -0.046 0.000 1.183 391 G CA 1.115 46.163 45.100 -0.088 0.000 0.776 391 G HN 0.546 nan 8.290 nan 0.000 0.552 392 G N 0.142 108.895 108.800 -0.078 0.000 2.450 392 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 392 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 392 G C 1.613 176.737 174.900 0.373 0.000 1.130 392 G CA 0.970 46.081 45.100 0.019 0.000 0.760 392 G HN 0.374 nan 8.290 nan 0.000 0.557 393 F N 1.868 121.974 119.950 0.260 0.000 2.098 393 F HA -0.085 4.442 4.527 -0.000 0.000 0.294 393 F C 2.703 178.673 175.800 0.284 0.000 1.107 393 F CA 1.803 60.099 58.000 0.494 0.000 1.234 393 F CB -0.388 38.825 39.000 0.354 0.000 1.002 393 F HN 0.058 nan 8.300 nan 0.000 0.472 394 V N -1.598 118.399 119.914 0.140 0.000 2.970 394 V HA -0.168 3.952 4.120 -0.000 0.000 0.260 394 V C 2.241 178.344 176.094 0.016 0.000 1.100 394 V CA 2.179 64.483 62.300 0.007 0.000 1.122 394 V CB -1.484 30.425 31.823 0.144 0.000 0.721 394 V HN 0.545 nan 8.190 nan 0.000 0.483 395 H N -0.743 118.276 119.070 -0.085 0.000 2.343 395 H HA 0.012 4.568 4.556 -0.000 0.000 0.303 395 H C 1.719 176.921 175.328 -0.210 0.000 1.068 395 H CA 2.032 57.950 56.048 -0.218 0.000 1.359 395 H CB -0.031 29.419 29.762 -0.519 0.000 1.402 395 H HN 0.510 nan 8.280 nan 0.000 0.515 396 W N -0.126 121.045 121.300 -0.214 0.000 3.316 396 W HA 0.058 4.718 4.660 -0.000 0.000 0.327 396 W C 1.136 177.054 176.519 -1.001 0.000 1.232 396 W CA -0.411 56.527 57.345 -0.678 0.000 1.805 396 W CB -0.577 28.378 29.460 -0.841 0.000 1.090 396 W HN 0.225 nan 8.180 nan 0.000 0.654 397 F N 2.868 122.484 119.950 -0.557 0.000 2.091 397 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 397 F C -0.760 174.790 175.800 -0.417 0.000 1.103 397 F CA 1.605 59.261 58.000 -0.573 0.000 1.228 397 F CB -1.594 37.044 39.000 -0.603 0.000 0.984 397 F HN -0.245 nan 8.300 nan 0.000 0.477 398 P HA -0.183 nan 4.420 nan 0.000 0.216 398 P C 1.916 179.042 177.300 -0.290 0.000 1.150 398 P CA 1.393 64.345 63.100 -0.247 0.000 0.837 398 P CB -0.143 31.571 31.700 0.025 0.000 0.786 399 L N -1.513 119.459 121.223 -0.419 0.000 2.017 399 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 399 L C 1.983 178.519 176.870 -0.555 0.000 1.073 399 L CA 2.067 56.540 54.840 -0.612 0.000 0.745 399 L CB -1.420 39.934 42.059 -1.174 0.000 0.894 399 L HN -0.160 nan 8.230 nan 0.000 0.432 400 F N 0.055 119.559 119.950 -0.743 0.000 2.084 400 F HA -0.129 4.398 4.527 0.000 0.000 0.296 400 F C 2.935 178.468 175.800 -0.444 0.000 1.111 400 F CA 1.314 58.773 58.000 -0.902 0.000 1.224 400 F CB -1.810 36.650 39.000 -0.900 0.000 0.991 400 F HN 0.356 nan 8.300 nan 0.000 0.471 401 S N -1.052 114.410 115.700 -0.397 0.000 2.406 401 S HA 0.311 4.781 4.470 -0.000 0.000 0.224 401 S C 1.989 176.296 174.600 -0.489 0.000 1.030 401 S CA 0.816 58.764 58.200 -0.419 0.000 0.958 401 S CB -0.136 62.580 63.200 -0.807 0.000 0.811 401 S HN 0.648 nan 8.310 nan 0.000 0.489 402 G N -0.386 108.134 108.800 -0.466 0.000 2.194 402 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.236 402 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.236 402 G C -0.199 174.464 174.900 -0.395 0.000 0.987 402 G CA 0.256 45.111 45.100 -0.409 0.000 0.635 402 G HN 0.506 nan 8.290 nan 0.000 0.520 403 Y N 1.467 121.615 120.300 -0.254 0.000 2.487 403 Y HA 0.691 5.241 4.550 -0.000 0.000 0.337 403 Y C 0.972 176.782 175.900 -0.150 0.000 1.076 403 Y CA -0.809 57.169 58.100 -0.202 0.000 1.115 403 Y CB 1.598 39.901 38.460 -0.261 0.000 1.235 403 Y HN 0.297 nan 8.280 nan 0.000 0.468 404 T N 0.112 114.754 114.554 0.147 0.000 2.929 404 T HA 0.766 5.116 4.350 -0.000 0.000 0.284 404 T C -0.366 174.414 174.700 0.134 0.000 1.014 404 T CA -0.900 61.280 62.100 0.133 0.000 1.051 404 T CB 0.917 69.827 68.868 0.070 0.000 1.028 404 T HN 0.452 nan 8.240 nan 0.000 0.485 405 L N 1.926 123.215 121.223 0.111 0.000 2.439 405 L HA 0.421 4.761 4.340 -0.000 0.000 0.259 405 L C 0.981 177.875 176.870 0.039 0.000 1.129 405 L CA -1.138 53.699 54.840 -0.005 0.000 0.803 405 L CB 0.590 42.593 42.059 -0.094 0.000 1.161 405 L HN 0.714 nan 8.230 nan 0.000 0.462 406 N N 1.112 119.852 118.700 0.067 0.000 2.415 406 N HA -0.032 4.708 4.740 -0.000 0.000 0.250 406 N C 0.238 175.850 175.510 0.169 0.000 1.127 406 N CA -0.051 53.090 53.050 0.150 0.000 0.945 406 N CB 0.899 39.571 38.487 0.307 0.000 1.196 406 N HN 0.533 nan 8.380 nan 0.000 0.499 407 D N 2.117 122.582 120.400 0.107 0.000 2.172 407 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 407 D C 1.155 177.517 176.300 0.103 0.000 0.999 407 D CA 1.674 55.732 54.000 0.096 0.000 0.856 407 D CB 0.231 41.067 40.800 0.060 0.000 0.934 407 D HN 0.555 nan 8.370 nan 0.000 0.453 408 T N -1.189 113.406 114.554 0.068 0.000 2.770 408 T HA -0.127 4.223 4.350 -0.000 0.000 0.263 408 T C 1.765 176.518 174.700 0.089 0.000 1.039 408 T CA 0.808 62.908 62.100 -0.000 0.000 1.142 408 T CB -0.544 68.239 68.868 -0.142 0.000 0.868 408 T HN 0.347 nan 8.240 nan 0.000 0.435 409 W N 1.461 122.824 121.300 0.106 0.000 2.338 409 W HA -0.077 4.583 4.660 0.000 0.000 0.304 409 W C 2.870 179.494 176.519 0.176 0.000 1.212 409 W CA 0.514 57.951 57.345 0.153 0.000 1.264 409 W CB -0.277 29.272 29.460 0.149 0.000 1.142 409 W HN 0.221 nan 8.180 nan 0.000 0.512 410 A N 0.374 123.436 122.820 0.404 0.000 1.978 410 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 410 A C 1.821 179.619 177.584 0.358 0.000 1.170 410 A CA 1.929 54.176 52.037 0.350 0.000 0.636 410 A CB -0.552 18.593 19.000 0.241 0.000 0.810 410 A HN 0.335 nan 8.150 nan 0.000 0.448 411 K N -0.732 119.811 120.400 0.239 0.000 2.186 411 K HA 0.157 4.477 4.320 -0.000 0.000 0.202 411 K C 1.739 178.464 176.600 0.209 0.000 1.052 411 K CA 0.924 57.305 56.287 0.157 0.000 0.965 411 K CB -0.200 32.334 32.500 0.057 0.000 0.746 411 K HN 0.497 nan 8.250 nan 0.000 0.457 412 I N 0.909 121.625 120.570 0.244 0.000 2.179 412 I HA -0.322 3.848 4.170 -0.000 0.000 0.242 412 I C 2.684 178.980 176.117 0.298 0.000 1.088 412 I CA 1.349 62.794 61.300 0.242 0.000 1.357 412 I CB -0.464 37.716 38.000 0.300 0.000 1.051 412 I HN 0.347 nan 8.210 nan 0.000 0.409 413 H N 0.756 120.004 119.070 0.298 0.000 2.319 413 H HA -0.296 4.260 4.556 -0.000 0.000 0.297 413 H C 2.307 177.781 175.328 0.244 0.000 1.097 413 H CA 2.384 58.610 56.048 0.296 0.000 1.285 413 H CB -0.171 29.806 29.762 0.359 0.000 1.368 413 H HN 0.322 nan 8.280 nan 0.000 0.495 414 F N 1.371 121.280 119.950 -0.068 0.000 2.075 414 F HA -0.161 4.366 4.527 -0.000 0.000 0.297 414 F C 2.745 178.368 175.800 -0.295 0.000 1.113 414 F CA 1.854 59.554 58.000 -0.500 0.000 1.218 414 F CB -0.935 37.601 39.000 -0.773 0.000 0.984 414 F HN 0.226 nan 8.300 nan 0.000 0.472 415 A N 0.939 123.687 122.820 -0.120 0.000 1.903 415 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 415 A C 2.303 179.817 177.584 -0.115 0.000 1.191 415 A CA 2.431 54.389 52.037 -0.132 0.000 0.638 415 A CB -1.409 17.605 19.000 0.023 0.000 0.823 415 A HN 0.567 nan 8.150 nan 0.000 0.451 416 I N -1.805 118.740 120.570 -0.042 0.000 2.090 416 I HA -0.277 3.893 4.170 -0.000 0.000 0.236 416 I C 2.630 178.727 176.117 -0.033 0.000 1.064 416 I CA 1.975 63.279 61.300 0.008 0.000 1.324 416 I CB -0.317 37.736 38.000 0.087 0.000 1.044 416 I HN 0.438 nan 8.210 nan 0.000 0.399 417 M N 0.335 119.879 119.600 -0.094 0.000 2.192 417 M HA -0.288 4.192 4.480 -0.000 0.000 0.259 417 M C 1.988 178.267 176.300 -0.036 0.000 1.071 417 M CA 1.918 57.187 55.300 -0.051 0.000 1.082 417 M CB -0.532 32.033 32.600 -0.059 0.000 1.373 417 M HN 0.187 nan 8.290 nan 0.000 0.408 418 F N -0.589 119.134 119.950 -0.378 0.000 2.051 418 F HA -0.177 4.350 4.527 -0.000 0.000 0.296 418 F C 2.003 177.733 175.800 -0.116 0.000 1.122 418 F CA 1.988 59.804 58.000 -0.306 0.000 1.201 418 F CB -0.721 37.892 39.000 -0.645 0.000 0.978 418 F HN -0.035 nan 8.300 nan 0.000 0.472 419 V N 0.334 120.253 119.914 0.007 0.000 2.255 419 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 419 V C 2.756 178.816 176.094 -0.057 0.000 1.051 419 V CA 1.975 64.266 62.300 -0.015 0.000 1.018 419 V CB -1.786 30.059 31.823 0.037 0.000 0.641 419 V HN 0.549 nan 8.190 nan 0.000 0.445 420 G N 0.791 109.575 108.800 -0.026 0.000 2.631 420 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.219 420 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.219 420 G C 1.781 176.641 174.900 -0.067 0.000 1.214 420 G CA 2.415 47.502 45.100 -0.021 0.000 0.785 420 G HN 0.631 nan 8.290 nan 0.000 0.596 421 V N -0.297 119.589 119.914 -0.047 0.000 2.287 421 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 421 V C 2.322 178.348 176.094 -0.114 0.000 1.053 421 V CA 2.408 64.692 62.300 -0.027 0.000 1.027 421 V CB -0.898 30.960 31.823 0.059 0.000 0.646 421 V HN 0.347 nan 8.190 nan 0.000 0.447 422 N N 0.070 118.624 118.700 -0.244 0.000 2.149 422 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 422 N C 1.855 177.336 175.510 -0.049 0.000 1.019 422 N CA 2.360 55.277 53.050 -0.222 0.000 0.857 422 N CB -0.307 37.966 38.487 -0.357 0.000 0.997 422 N HN 0.666 nan 8.380 nan 0.000 0.426 423 M N 0.875 120.437 119.600 -0.063 0.000 2.077 423 M HA -0.129 4.351 4.480 -0.000 0.000 0.261 423 M C 1.883 178.144 176.300 -0.064 0.000 1.070 423 M CA 1.387 56.684 55.300 -0.006 0.000 1.125 423 M CB -0.297 32.301 32.600 -0.002 0.000 1.339 423 M HN -0.032 nan 8.290 nan 0.000 0.409 424 T N 0.741 115.169 114.554 -0.210 0.000 2.624 424 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 424 T C 1.228 175.567 174.700 -0.600 0.000 1.041 424 T CA 2.051 63.861 62.100 -0.483 0.000 1.159 424 T CB -0.502 67.846 68.868 -0.867 0.000 0.863 424 T HN 0.384 nan 8.240 nan 0.000 0.434 425 F N -0.671 119.248 119.950 -0.052 0.000 2.714 425 F HA 0.358 4.885 4.527 -0.000 0.000 0.294 425 F C 1.725 177.579 175.800 0.090 0.000 1.120 425 F CA -1.136 56.842 58.000 -0.036 0.000 1.398 425 F CB -0.592 38.369 39.000 -0.065 0.000 1.120 425 F HN 0.027 nan 8.300 nan 0.000 0.589 426 F N 2.592 122.614 119.950 0.121 0.000 2.075 426 F HA -0.056 4.471 4.527 -0.000 0.000 0.297 426 F C -0.705 174.984 175.800 -0.185 0.000 1.113 426 F CA 0.999 59.057 58.000 0.097 0.000 1.218 426 F CB -1.775 37.239 39.000 0.023 0.000 0.984 426 F HN -0.121 nan 8.300 nan 0.000 0.472 427 P HA -0.200 nan 4.420 nan 0.000 0.218 427 P C 1.256 178.249 177.300 -0.513 0.000 1.148 427 P CA 1.881 64.645 63.100 -0.560 0.000 0.822 427 P CB -0.265 31.346 31.700 -0.148 0.000 0.784 428 Q N -1.718 117.909 119.800 -0.289 0.000 2.368 428 Q HA -0.226 4.114 4.340 -0.000 0.000 0.210 428 Q C 1.706 177.523 176.000 -0.304 0.000 0.982 428 Q CA 1.175 56.862 55.803 -0.194 0.000 0.884 428 Q CB -0.760 27.962 28.738 -0.025 0.000 0.933 428 Q HN 0.539 nan 8.270 nan 0.000 0.460 429 H N -0.969 117.782 119.070 -0.531 0.000 2.389 429 H HA -0.108 4.448 4.556 -0.000 0.000 0.299 429 H C 1.270 176.435 175.328 -0.271 0.000 1.081 429 H CA 1.481 57.252 56.048 -0.462 0.000 1.345 429 H CB 0.137 29.405 29.762 -0.823 0.000 1.393 429 H HN 0.208 nan 8.280 nan 0.000 0.520 430 F N -0.026 119.808 119.950 -0.193 0.000 2.118 430 F HA -0.046 4.481 4.527 -0.000 0.000 0.293 430 F C 2.199 177.974 175.800 -0.041 0.000 1.102 430 F CA 0.558 58.453 58.000 -0.175 0.000 1.247 430 F CB -1.052 37.668 39.000 -0.466 0.000 1.017 430 F HN 0.019 nan 8.300 nan 0.000 0.475 431 L N 0.035 121.330 121.223 0.120 0.000 2.151 431 L HA -0.251 4.089 4.340 -0.000 0.000 0.215 431 L C 2.492 179.314 176.870 -0.080 0.000 1.084 431 L CA 1.548 56.379 54.840 -0.014 0.000 0.764 431 L CB -1.232 40.703 42.059 -0.205 0.000 0.891 431 L HN 0.365 nan 8.230 nan 0.000 0.435 432 G N -1.081 107.740 108.800 0.034 0.000 2.545 432 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.212 432 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.212 432 G C 1.577 176.497 174.900 0.033 0.000 1.144 432 G CA -0.083 45.055 45.100 0.063 0.000 0.813 432 G HN 0.185 nan 8.290 nan 0.000 0.531 433 L N 1.665 122.918 121.223 0.051 0.000 2.072 433 L HA -0.022 4.318 4.340 -0.000 0.000 0.205 433 L C 2.810 179.712 176.870 0.054 0.000 1.079 433 L CA 1.381 56.216 54.840 -0.008 0.000 0.752 433 L CB -0.216 41.856 42.059 0.021 0.000 0.906 433 L HN 0.362 nan 8.230 nan 0.000 0.436 434 S N -0.472 115.306 115.700 0.129 0.000 2.786 434 S HA 0.156 4.626 4.470 -0.000 0.000 0.223 434 S C 1.442 176.178 174.600 0.226 0.000 0.956 434 S CA 0.308 58.630 58.200 0.203 0.000 0.961 434 S CB -0.112 63.285 63.200 0.328 0.000 0.784 434 S HN 0.588 nan 8.310 nan 0.000 0.519 435 G N 1.135 109.989 108.800 0.091 0.000 2.205 435 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.261 435 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.261 435 G C 0.038 174.883 174.900 -0.092 0.000 0.980 435 G CA 0.227 45.365 45.100 0.064 0.000 0.632 435 G HN 0.662 nan 8.290 nan 0.000 0.533 436 M N 2.464 121.783 119.600 -0.468 0.000 2.356 436 M HA 0.340 4.820 4.480 -0.000 0.000 0.348 436 M C -1.873 174.236 176.300 -0.318 0.000 1.595 436 M CA -1.188 53.684 55.300 -0.712 0.000 1.095 436 M CB 0.532 32.414 32.600 -1.196 0.000 1.963 436 M HN 0.034 nan 8.290 nan 0.000 0.459 437 P HA 0.169 nan 4.420 nan 0.000 0.273 437 P C -1.141 176.010 177.300 -0.249 0.000 1.250 437 P CA -0.118 62.727 63.100 -0.426 0.000 0.793 437 P CB 0.505 31.668 31.700 -0.895 0.000 1.011 438 R N 0.854 121.263 120.500 -0.153 0.000 2.500 438 R HA 0.411 4.751 4.340 -0.000 0.000 0.277 438 R C 0.340 176.712 176.300 0.121 0.000 1.026 438 R CA -0.608 55.482 56.100 -0.018 0.000 1.058 438 R CB 0.401 30.643 30.300 -0.097 0.000 1.078 438 R HN 0.429 nan 8.270 nan 0.000 0.509 439 R N 0.089 120.755 120.500 0.276 0.000 3.656 439 R HA -0.190 4.150 4.340 -0.000 0.000 0.297 439 R C -1.197 175.460 176.300 0.596 0.000 1.166 439 R CA 0.634 56.989 56.100 0.425 0.000 0.799 439 R CB -1.645 28.820 30.300 0.275 0.000 1.285 439 R HN 0.412 nan 8.270 nan 0.000 0.477 440 Y N -0.073 120.380 120.300 0.256 0.000 2.341 440 Y HA 0.225 4.775 4.550 -0.000 0.000 0.337 440 Y C 1.502 177.237 175.900 -0.275 0.000 1.014 440 Y CA -1.377 56.756 58.100 0.055 0.000 1.111 440 Y CB 1.866 40.383 38.460 0.096 0.000 1.194 440 Y HN 0.124 nan 8.280 nan 0.000 0.462 441 S N -0.121 115.328 115.700 -0.418 0.000 2.603 441 S HA 0.116 4.586 4.470 -0.000 0.000 0.220 441 S C -0.043 174.386 174.600 -0.285 0.000 0.967 441 S CA 0.318 58.026 58.200 -0.820 0.000 0.920 441 S CB 0.056 62.892 63.200 -0.607 0.000 0.773 441 S HN 0.665 nan 8.310 nan 0.000 0.529 442 D N -0.554 119.807 120.400 -0.065 0.000 2.648 442 D HA 0.433 5.073 4.640 -0.000 0.000 0.244 442 D C -1.665 174.760 176.300 0.208 0.000 1.244 442 D CA -0.654 53.333 54.000 -0.021 0.000 0.772 442 D CB 1.424 42.124 40.800 -0.166 0.000 1.379 442 D HN 0.205 nan 8.370 nan 0.000 0.428 443 Y N -1.634 118.734 120.300 0.114 0.000 2.609 443 Y HA 0.791 5.341 4.550 -0.000 0.000 0.342 443 Y C -2.651 173.360 175.900 0.184 0.000 1.058 443 Y CA -2.550 55.696 58.100 0.242 0.000 1.055 443 Y CB -0.183 38.448 38.460 0.284 0.000 1.292 443 Y HN 0.022 nan 8.280 nan 0.000 0.476 444 P HA 0.071 nan 4.420 nan 0.000 0.268 444 P C 0.151 177.473 177.300 0.036 0.000 1.205 444 P CA 0.218 63.370 63.100 0.086 0.000 0.771 444 P CB 0.809 32.515 31.700 0.010 0.000 0.858 445 D N 2.108 122.474 120.400 -0.057 0.000 2.203 445 D HA -0.230 4.410 4.640 -0.000 0.000 0.199 445 D C 1.844 178.112 176.300 -0.052 0.000 0.997 445 D CA 1.880 55.850 54.000 -0.050 0.000 0.863 445 D CB -0.515 40.238 40.800 -0.079 0.000 0.928 445 D HN 0.389 nan 8.370 nan 0.000 0.458 446 A N 0.401 123.096 122.820 -0.209 0.000 1.948 446 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 446 A C 1.573 179.024 177.584 -0.221 0.000 1.177 446 A CA 1.193 53.051 52.037 -0.299 0.000 0.636 446 A CB -1.019 17.697 19.000 -0.473 0.000 0.815 446 A HN 0.276 nan 8.150 nan 0.000 0.449 447 Y N 0.796 121.152 120.300 0.092 0.000 2.553 447 Y HA 0.025 4.575 4.550 -0.000 0.000 0.303 447 Y C 2.438 178.301 175.900 -0.062 0.000 1.194 447 Y CA 0.453 58.551 58.100 -0.003 0.000 1.305 447 Y CB -1.479 36.939 38.460 -0.070 0.000 1.045 447 Y HN 0.243 nan 8.280 nan 0.000 0.514 448 T N -0.063 114.632 114.554 0.235 0.000 2.684 448 T HA -0.288 4.062 4.350 -0.000 0.000 0.267 448 T C 2.107 176.823 174.700 0.028 0.000 1.036 448 T CA 1.662 63.911 62.100 0.248 0.000 1.148 448 T CB -0.231 68.736 68.868 0.165 0.000 0.863 448 T HN 0.406 nan 8.240 nan 0.000 0.436 449 M N -0.427 119.084 119.600 -0.147 0.000 2.084 449 M HA -0.128 4.352 4.480 -0.000 0.000 0.259 449 M C 2.079 178.357 176.300 -0.037 0.000 1.072 449 M CA 1.965 57.130 55.300 -0.226 0.000 1.107 449 M CB -0.316 31.951 32.600 -0.556 0.000 1.299 449 M HN 0.424 nan 8.290 nan 0.000 0.413 450 W N 0.443 121.745 121.300 0.004 0.000 2.321 450 W HA -0.227 4.433 4.660 -0.000 0.000 0.306 450 W C 2.153 178.621 176.519 -0.085 0.000 1.217 450 W CA 0.304 57.646 57.345 -0.004 0.000 1.257 450 W CB -0.761 28.718 29.460 0.033 0.000 1.145 450 W HN 0.355 nan 8.180 nan 0.000 0.509 451 N N -0.335 118.382 118.700 0.029 0.000 2.309 451 N HA -0.098 4.642 4.740 -0.000 0.000 0.182 451 N C 1.496 177.005 175.510 -0.002 0.000 1.018 451 N CA 1.641 54.615 53.050 -0.127 0.000 0.876 451 N CB -0.350 37.857 38.487 -0.467 0.000 0.972 451 N HN 0.131 nan 8.380 nan 0.000 0.434 452 T N 1.493 116.076 114.554 0.049 0.000 2.851 452 T HA 0.113 4.463 4.350 -0.000 0.000 0.262 452 T C 2.117 176.856 174.700 0.064 0.000 1.043 452 T CA 0.390 62.525 62.100 0.058 0.000 1.140 452 T CB 0.139 69.034 68.868 0.045 0.000 0.872 452 T HN 0.142 nan 8.240 nan 0.000 0.446 453 I N 0.912 121.549 120.570 0.112 0.000 2.252 453 I HA -0.145 4.025 4.170 -0.000 0.000 0.245 453 I C 2.754 178.917 176.117 0.078 0.000 1.102 453 I CA 0.944 62.321 61.300 0.128 0.000 1.385 453 I CB -0.490 37.657 38.000 0.245 0.000 1.064 453 I HN 0.234 nan 8.210 nan 0.000 0.414 454 S N 0.383 116.115 115.700 0.052 0.000 2.383 454 S HA -0.181 4.289 4.470 -0.000 0.000 0.229 454 S C 2.197 176.763 174.600 -0.057 0.000 1.030 454 S CA 2.093 60.264 58.200 -0.048 0.000 1.002 454 S CB -0.176 62.970 63.200 -0.091 0.000 0.829 454 S HN 0.407 nan 8.310 nan 0.000 0.467 455 S N 1.144 116.851 115.700 0.011 0.000 2.406 455 S HA 0.096 4.566 4.470 -0.000 0.000 0.228 455 S C 1.881 176.575 174.600 0.157 0.000 1.020 455 S CA 1.193 59.442 58.200 0.081 0.000 0.965 455 S CB -0.309 62.958 63.200 0.112 0.000 0.798 455 S HN 0.539 nan 8.310 nan 0.000 0.488 456 M N 1.030 120.682 119.600 0.085 0.000 2.117 456 M HA -0.062 4.418 4.480 -0.000 0.000 0.262 456 M C 2.539 178.911 176.300 0.121 0.000 1.065 456 M CA 1.548 56.897 55.300 0.081 0.000 1.114 456 M CB -1.125 31.493 32.600 0.031 0.000 1.361 456 M HN 0.456 nan 8.290 nan 0.000 0.408 457 G N 0.666 109.496 108.800 0.050 0.000 2.476 457 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 457 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 457 G C 1.615 176.518 174.900 0.005 0.000 1.164 457 G CA 1.519 46.619 45.100 0.001 0.000 0.768 457 G HN 0.574 nan 8.290 nan 0.000 0.560 458 S N -0.115 115.580 115.700 -0.010 0.000 2.440 458 S HA -0.056 4.414 4.470 -0.000 0.000 0.238 458 S C 2.052 176.629 174.600 -0.038 0.000 1.010 458 S CA 1.227 59.398 58.200 -0.048 0.000 0.972 458 S CB -0.474 62.682 63.200 -0.073 0.000 0.774 458 S HN 0.212 nan 8.310 nan 0.000 0.501 459 F N 1.470 121.406 119.950 -0.022 0.000 2.234 459 F HA 0.318 4.845 4.527 -0.000 0.000 0.296 459 F C 2.125 177.934 175.800 0.014 0.000 1.089 459 F CA 0.370 58.371 58.000 0.002 0.000 1.343 459 F CB -0.305 38.698 39.000 0.005 0.000 1.040 459 F HN 0.189 nan 8.300 nan 0.000 0.498 460 I N -1.108 119.555 120.570 0.157 0.000 2.226 460 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 460 I C 2.348 178.508 176.117 0.073 0.000 1.100 460 I CA 1.205 62.568 61.300 0.104 0.000 1.374 460 I CB -0.698 37.347 38.000 0.075 0.000 1.057 460 I HN -0.011 nan 8.210 nan 0.000 0.413 461 S N 1.080 116.807 115.700 0.044 0.000 2.370 461 S HA -0.204 4.266 4.470 -0.000 0.000 0.226 461 S C 1.969 176.598 174.600 0.047 0.000 1.033 461 S CA 1.383 59.613 58.200 0.050 0.000 1.011 461 S CB -0.506 62.717 63.200 0.038 0.000 0.852 461 S HN 0.326 nan 8.310 nan 0.000 0.457 462 L N 1.743 122.958 121.223 -0.013 0.000 2.013 462 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 462 L C 2.335 179.223 176.870 0.029 0.000 1.073 462 L CA 1.949 56.765 54.840 -0.040 0.000 0.753 462 L CB -1.260 40.700 42.059 -0.165 0.000 0.890 462 L HN 0.226 nan 8.230 nan 0.000 0.432 463 T N -0.117 114.472 114.554 0.058 0.000 2.665 463 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 463 T C 1.894 176.676 174.700 0.136 0.000 1.035 463 T CA 1.501 63.656 62.100 0.092 0.000 1.151 463 T CB -0.650 68.282 68.868 0.106 0.000 0.862 463 T HN 0.570 nan 8.240 nan 0.000 0.438 464 A N 0.945 123.862 122.820 0.162 0.000 1.940 464 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 464 A C 2.624 180.418 177.584 0.350 0.000 1.176 464 A CA 1.785 53.987 52.037 0.276 0.000 0.631 464 A CB -0.971 18.133 19.000 0.173 0.000 0.814 464 A HN 0.457 nan 8.150 nan 0.000 0.446 465 V N -1.024 119.016 119.914 0.210 0.000 2.591 465 V HA -0.167 3.953 4.120 -0.000 0.000 0.249 465 V C 2.143 178.292 176.094 0.091 0.000 1.053 465 V CA 2.163 64.560 62.300 0.163 0.000 1.068 465 V CB -0.524 31.357 31.823 0.097 0.000 0.689 465 V HN 0.558 nan 8.190 nan 0.000 0.462 466 M N -0.459 119.188 119.600 0.078 0.000 2.132 466 M HA -0.067 4.413 4.480 -0.000 0.000 0.263 466 M C 2.257 178.596 176.300 0.066 0.000 1.065 466 M CA 2.052 57.381 55.300 0.049 0.000 1.122 466 M CB -0.433 32.186 32.600 0.031 0.000 1.365 466 M HN 0.345 nan 8.290 nan 0.000 0.411 467 L N 0.122 121.405 121.223 0.101 0.000 2.083 467 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 467 L C 2.672 179.562 176.870 0.033 0.000 1.083 467 L CA 1.222 56.128 54.840 0.110 0.000 0.752 467 L CB -0.273 41.909 42.059 0.205 0.000 0.899 467 L HN 0.413 nan 8.230 nan 0.000 0.433 468 M N -1.089 118.459 119.600 -0.087 0.000 2.213 468 M HA -0.195 4.285 4.480 -0.000 0.000 0.263 468 M C 2.031 178.273 176.300 -0.097 0.000 1.062 468 M CA 1.489 56.617 55.300 -0.286 0.000 1.105 468 M CB 0.041 32.434 32.600 -0.344 0.000 1.385 468 M HN 0.096 nan 8.290 nan 0.000 0.417 469 V N 0.580 120.493 119.914 -0.001 0.000 2.295 469 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 469 V C 2.155 178.316 176.094 0.112 0.000 1.049 469 V CA 2.136 64.470 62.300 0.057 0.000 1.024 469 V CB -1.033 30.829 31.823 0.064 0.000 0.648 469 V HN 0.602 nan 8.190 nan 0.000 0.447 470 F N 0.661 120.597 119.950 -0.023 0.000 2.095 470 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 470 F C 2.166 177.983 175.800 0.028 0.000 1.104 470 F CA 1.590 59.592 58.000 0.004 0.000 1.232 470 F CB -0.396 38.512 39.000 -0.154 0.000 0.987 470 F HN 0.052 nan 8.300 nan 0.000 0.475 471 I N 0.281 120.620 120.570 -0.385 0.000 2.264 471 I HA -0.341 3.829 4.170 -0.000 0.000 0.248 471 I C 2.441 178.356 176.117 -0.336 0.000 1.111 471 I CA 1.655 62.670 61.300 -0.475 0.000 1.382 471 I CB -0.534 37.329 38.000 -0.228 0.000 1.060 471 I HN 0.244 nan 8.210 nan 0.000 0.418 472 I N -0.740 119.741 120.570 -0.150 0.000 2.286 472 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 472 I C 2.468 178.639 176.117 0.090 0.000 1.104 472 I CA 1.219 62.493 61.300 -0.042 0.000 1.397 472 I CB -0.409 37.679 38.000 0.147 0.000 1.072 472 I HN 0.387 nan 8.210 nan 0.000 0.417 473 W N 2.761 124.023 121.300 -0.063 0.000 2.333 473 W HA -0.321 4.339 4.660 -0.000 0.000 0.316 473 W C 2.535 178.994 176.519 -0.100 0.000 1.215 473 W CA 2.316 59.659 57.345 -0.003 0.000 1.278 473 W CB -0.276 29.171 29.460 -0.022 0.000 1.154 473 W HN 0.236 nan 8.180 nan 0.000 0.486 474 E N 1.045 120.923 120.200 -0.537 0.000 2.070 474 E HA -0.248 4.102 4.350 -0.000 0.000 0.197 474 E C 2.107 178.379 176.600 -0.547 0.000 1.004 474 E CA 2.664 58.589 56.400 -0.793 0.000 0.805 474 E CB -1.139 28.102 29.700 -0.764 0.000 0.744 474 E HN 0.214 nan 8.360 nan 0.000 0.451 475 A N -0.145 122.445 122.820 -0.384 0.000 1.903 475 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 475 A C 2.091 179.460 177.584 -0.358 0.000 1.191 475 A CA 1.798 53.660 52.037 -0.292 0.000 0.638 475 A CB -1.032 17.817 19.000 -0.252 0.000 0.823 475 A HN 0.421 nan 8.150 nan 0.000 0.451 476 F N -0.514 119.326 119.950 -0.184 0.000 2.615 476 F HA 0.191 4.718 4.527 -0.000 0.000 0.297 476 F C 2.564 178.113 175.800 -0.418 0.000 1.124 476 F CA 0.261 58.135 58.000 -0.210 0.000 1.451 476 F CB -0.345 38.641 39.000 -0.024 0.000 1.103 476 F HN 0.266 nan 8.300 nan 0.000 0.569 477 A N -0.650 121.878 122.820 -0.486 0.000 1.854 477 A HA -0.116 4.204 4.320 -0.000 0.000 0.214 477 A C 2.399 179.747 177.584 -0.394 0.000 1.192 477 A CA 1.996 53.665 52.037 -0.614 0.000 0.611 477 A CB -1.004 17.231 19.000 -1.275 0.000 0.832 477 A HN 0.247 nan 8.150 nan 0.000 0.442 478 S N -0.603 114.868 115.700 -0.382 0.000 2.387 478 S HA 0.007 4.477 4.470 -0.000 0.000 0.226 478 S C 0.297 174.728 174.600 -0.283 0.000 1.026 478 S CA 0.882 58.924 58.200 -0.263 0.000 0.972 478 S CB -0.211 62.871 63.200 -0.198 0.000 0.814 478 S HN 0.562 nan 8.310 nan 0.000 0.477 479 K N 0.937 121.057 120.400 -0.466 0.000 3.549 479 K HA -0.142 4.178 4.320 -0.000 0.000 0.275 479 K C -1.070 175.376 176.600 -0.256 0.000 1.060 479 K CA 0.254 56.128 56.287 -0.688 0.000 0.812 479 K CB -1.288 30.870 32.500 -0.570 0.000 1.374 479 K HN 0.361 nan 8.250 nan 0.000 0.455 480 R N 2.042 122.466 120.500 -0.127 0.000 2.408 480 R HA 0.111 4.451 4.340 -0.000 0.000 0.308 480 R C -0.041 176.347 176.300 0.147 0.000 1.210 480 R CA -0.329 55.781 56.100 0.016 0.000 1.115 480 R CB 0.433 30.737 30.300 0.007 0.000 1.127 480 R HN 0.286 nan 8.270 nan 0.000 0.523 481 E N 1.622 121.938 120.200 0.195 0.000 2.392 481 E HA 0.045 4.395 4.350 -0.000 0.000 0.264 481 E C 0.127 176.781 176.600 0.089 0.000 1.024 481 E CA -0.305 56.216 56.400 0.201 0.000 0.903 481 E CB 0.988 30.788 29.700 0.165 0.000 0.963 481 E HN 0.160 nan 8.360 nan 0.000 0.432 482 V N 3.732 123.675 119.914 0.049 0.000 2.811 482 V HA -0.034 4.086 4.120 -0.000 0.000 0.302 482 V C 1.137 177.243 176.094 0.020 0.000 1.063 482 V CA 0.299 62.614 62.300 0.025 0.000 1.088 482 V CB 0.577 32.410 31.823 0.016 0.000 0.982 482 V HN 0.693 nan 8.190 nan 0.000 0.485 483 L N 1.155 122.382 121.223 0.008 0.000 2.663 483 L HA 0.277 4.617 4.340 -0.000 0.000 0.218 483 L C 0.570 177.437 176.870 -0.004 0.000 1.043 483 L CA 0.633 55.477 54.840 0.006 0.000 0.876 483 L CB 0.875 42.937 42.059 0.004 0.000 1.263 483 L HN 0.739 nan 8.230 nan 0.000 0.486 484 T N 0.199 114.739 114.554 -0.024 0.000 2.912 484 T HA 0.592 4.942 4.350 -0.000 0.000 0.299 484 T C -0.928 173.714 174.700 -0.097 0.000 1.052 484 T CA -0.310 61.763 62.100 -0.044 0.000 0.996 484 T CB 3.033 71.876 68.868 -0.041 0.000 1.070 484 T HN -0.292 nan 8.240 nan 0.000 0.465 485 V N 2.619 122.459 119.914 -0.123 0.000 2.638 485 V HA 0.440 4.560 4.120 -0.000 0.000 0.306 485 V C -0.786 175.192 176.094 -0.192 0.000 1.052 485 V CA -1.038 61.110 62.300 -0.253 0.000 0.885 485 V CB 2.184 33.785 31.823 -0.371 0.000 0.999 485 V HN 0.844 nan 8.190 nan 0.000 0.424 486 D N 2.871 123.149 120.400 -0.202 0.000 2.354 486 D HA 0.579 5.219 4.640 -0.000 0.000 0.247 486 D C 0.790 177.011 176.300 -0.132 0.000 1.138 486 D CA -0.320 53.574 54.000 -0.176 0.000 0.958 486 D CB 0.648 41.290 40.800 -0.264 0.000 1.144 486 D HN 0.514 nan 8.370 nan 0.000 0.458 487 L N -0.227 120.918 121.223 -0.130 0.000 3.781 487 L HA -0.278 4.062 4.340 -0.000 0.000 0.426 487 L C 1.363 178.283 176.870 0.083 0.000 1.197 487 L CA 0.620 55.427 54.840 -0.054 0.000 0.907 487 L CB -2.352 39.611 42.059 -0.159 0.000 1.812 487 L HN 0.588 nan 8.230 nan 0.000 0.956 488 T N -5.727 108.871 114.554 0.073 0.000 3.035 488 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 488 T C 1.770 176.566 174.700 0.160 0.000 1.109 488 T CA 1.090 63.285 62.100 0.159 0.000 1.119 488 T CB -0.316 68.646 68.868 0.157 0.000 0.900 488 T HN 0.606 nan 8.240 nan 0.000 0.503 489 T N 1.250 115.866 114.554 0.104 0.000 2.803 489 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 489 T C 1.850 176.618 174.700 0.113 0.000 1.052 489 T CA 1.683 63.840 62.100 0.094 0.000 1.136 489 T CB -1.064 67.838 68.868 0.057 0.000 0.864 489 T HN 0.645 nan 8.240 nan 0.000 0.467 490 T N -1.467 113.163 114.554 0.127 0.000 3.182 490 T HA 0.319 4.669 4.350 -0.000 0.000 0.277 490 T C 0.341 175.169 174.700 0.214 0.000 1.013 490 T CA -0.747 61.437 62.100 0.139 0.000 0.900 490 T CB -0.060 68.867 68.868 0.099 0.000 1.098 490 T HN 0.295 nan 8.240 nan 0.000 0.543 491 N N 1.390 120.255 118.700 0.276 0.000 2.733 491 N HA 0.266 5.006 4.740 -0.000 0.000 0.271 491 N C 0.754 176.530 175.510 0.443 0.000 1.720 491 N CA -0.184 53.115 53.050 0.414 0.000 0.803 491 N CB 1.191 40.002 38.487 0.539 0.000 1.208 491 N HN 0.142 nan 8.380 nan 0.000 0.498 492 L N 1.151 122.573 121.223 0.332 0.000 2.151 492 L HA -0.243 4.097 4.340 -0.000 0.000 0.215 492 L C 2.519 179.573 176.870 0.307 0.000 1.084 492 L CA 1.823 56.849 54.840 0.310 0.000 0.764 492 L CB 0.037 42.260 42.059 0.274 0.000 0.891 492 L HN 0.477 nan 8.230 nan 0.000 0.435 493 E N -1.004 119.340 120.200 0.241 0.000 2.265 493 E HA -0.266 4.084 4.350 -0.000 0.000 0.196 493 E C 1.521 178.085 176.600 -0.060 0.000 0.996 493 E CA 1.373 57.808 56.400 0.058 0.000 0.832 493 E CB -0.650 28.986 29.700 -0.106 0.000 0.756 493 E HN 0.646 nan 8.360 nan 0.000 0.491 494 W N 0.727 122.127 121.300 0.166 0.000 3.290 494 W HA 0.343 5.003 4.660 0.000 0.000 0.287 494 W C 1.818 178.384 176.519 0.078 0.000 1.288 494 W CA -0.476 56.927 57.345 0.096 0.000 1.725 494 W CB 0.068 29.570 29.460 0.071 0.000 1.103 494 W HN -0.046 nan 8.180 nan 0.000 0.670 495 L N 0.541 121.929 121.223 0.275 0.000 2.478 495 L HA -0.063 4.277 4.340 -0.000 0.000 0.223 495 L C 0.697 177.619 176.870 0.087 0.000 1.140 495 L CA 0.992 55.938 54.840 0.176 0.000 0.842 495 L CB -0.260 41.902 42.059 0.172 0.000 0.953 495 L HN 0.006 nan 8.230 nan 0.000 0.452 496 N N -0.460 118.274 118.700 0.058 0.000 2.214 496 N HA 0.250 4.990 4.740 -0.000 0.000 0.214 496 N C 0.330 175.863 175.510 0.037 0.000 1.132 496 N CA 0.480 53.530 53.050 -0.000 0.000 0.856 496 N CB 1.029 39.466 38.487 -0.085 0.000 1.020 496 N HN 0.221 nan 8.380 nan 0.000 0.509 497 G N 0.050 108.902 108.800 0.087 0.000 2.814 497 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.677 497 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.677 497 G C -0.612 174.335 174.900 0.077 0.000 1.429 497 G CA -0.740 44.415 45.100 0.091 0.000 0.868 497 G HN 0.274 nan 8.290 nan 0.000 0.553 498 C N 2.840 122.178 119.300 0.064 0.000 2.264 498 C HA 0.737 5.197 4.460 -0.000 0.000 0.324 498 C C -1.117 173.841 174.990 -0.054 0.000 1.267 498 C CA -1.005 58.015 59.018 0.004 0.000 1.618 498 C CB 0.944 28.698 27.740 0.024 0.000 2.278 498 C HN 0.816 nan 8.230 nan 0.000 0.499 499 P HA 0.399 nan 4.420 nan 0.000 0.282 499 P C -2.694 174.642 177.300 0.061 0.000 1.259 499 P CA -1.479 61.627 63.100 0.009 0.000 0.826 499 P CB 0.502 32.230 31.700 0.046 0.000 1.064 500 P HA 0.196 nan 4.420 nan 0.000 0.275 500 P C -2.293 175.040 177.300 0.054 0.000 1.228 500 P CA -1.562 61.588 63.100 0.083 0.000 0.786 500 P CB -0.790 30.988 31.700 0.130 0.000 0.927 501 P HA -0.063 nan 4.420 nan 0.000 0.269 501 P C 0.840 178.146 177.300 0.010 0.000 1.209 501 P CA 0.006 63.126 63.100 0.033 0.000 0.776 501 P CB 0.497 32.216 31.700 0.032 0.000 0.876 502 Y N 2.714 122.939 120.300 -0.125 0.000 2.108 502 Y HA -0.271 4.279 4.550 -0.000 0.000 0.274 502 Y C 0.905 176.605 175.900 -0.333 0.000 1.229 502 Y CA 1.993 59.928 58.100 -0.275 0.000 1.129 502 Y CB -0.557 37.723 38.460 -0.300 0.000 0.946 502 Y HN 0.480 nan 8.280 nan 0.000 0.509 503 H N -0.374 118.743 119.070 0.079 0.000 2.718 503 H HA 0.323 4.879 4.556 -0.000 0.000 0.295 503 H C 0.035 175.354 175.328 -0.015 0.000 1.051 503 H CA -0.225 55.837 56.048 0.023 0.000 1.260 503 H CB 0.683 30.494 29.762 0.081 0.000 1.403 503 H HN 0.068 nan 8.280 nan 0.000 0.488 504 T N -0.718 113.884 114.554 0.080 0.000 2.912 504 T HA 0.223 4.573 4.350 -0.000 0.000 0.280 504 T C 0.311 175.003 174.700 -0.013 0.000 0.989 504 T CA -0.821 61.220 62.100 -0.100 0.000 0.995 504 T CB 0.670 69.410 68.868 -0.213 0.000 1.077 504 T HN 0.515 nan 8.240 nan 0.000 0.531 505 F N -1.242 118.745 119.950 0.061 0.000 3.097 505 F HA -0.203 4.324 4.527 -0.000 0.000 0.278 505 F C 1.403 177.217 175.800 0.025 0.000 0.917 505 F CA 0.742 58.765 58.000 0.038 0.000 0.962 505 F CB -2.423 36.589 39.000 0.020 0.000 0.964 505 F HN 0.843 nan 8.300 nan 0.000 0.668 506 E N 0.497 120.758 120.200 0.101 0.000 2.204 506 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 506 E C 1.025 177.656 176.600 0.052 0.000 0.990 506 E CA 1.326 57.755 56.400 0.048 0.000 0.821 506 E CB 0.159 29.861 29.700 0.004 0.000 0.750 506 E HN 0.620 nan 8.360 nan 0.000 0.477 507 E N 0.522 120.767 120.200 0.076 0.000 2.185 507 E HA 0.246 4.596 4.350 -0.000 0.000 0.261 507 E C -2.498 174.186 176.600 0.140 0.000 0.879 507 E CA -2.668 53.780 56.400 0.079 0.000 0.756 507 E CB 1.282 31.015 29.700 0.055 0.000 1.152 507 E HN -0.149 nan 8.360 nan 0.000 0.416 508 P HA -0.094 nan 4.420 nan 0.000 0.269 508 P C -0.345 177.067 177.300 0.186 0.000 1.200 508 P CA 0.172 63.358 63.100 0.143 0.000 0.779 508 P CB 0.413 32.162 31.700 0.081 0.000 0.841 509 T N -1.009 113.654 114.554 0.182 0.000 2.788 509 T HA 0.310 4.660 4.350 -0.000 0.000 0.280 509 T C -0.842 173.968 174.700 0.184 0.000 0.984 509 T CA -0.298 61.923 62.100 0.202 0.000 0.972 509 T CB 0.336 69.308 68.868 0.174 0.000 1.039 509 T HN 0.306 nan 8.240 nan 0.000 0.530 510 Y N 0.266 120.600 120.300 0.058 0.000 2.341 510 Y HA 0.597 5.147 4.550 -0.000 0.000 0.338 510 Y C -1.452 174.465 175.900 0.029 0.000 0.965 510 Y CA -1.159 56.962 58.100 0.036 0.000 1.108 510 Y CB 1.285 39.765 38.460 0.035 0.000 1.180 510 Y HN 0.586 nan 8.280 nan 0.000 0.458 511 V N 6.628 126.242 119.914 -0.500 0.000 2.532 511 V HA 0.243 4.363 4.120 -0.000 0.000 0.294 511 V C -0.590 175.216 176.094 -0.480 0.000 1.036 511 V CA -1.216 60.866 62.300 -0.363 0.000 0.876 511 V CB 1.515 33.245 31.823 -0.154 0.000 1.012 511 V HN 0.889 nan 8.190 nan 0.000 0.432 512 N N 2.610 121.054 118.700 -0.427 0.000 2.415 512 N HA 0.317 5.057 4.740 -0.000 0.000 0.248 512 N C -0.713 174.708 175.510 -0.149 0.000 1.271 512 N CA -0.416 52.468 53.050 -0.276 0.000 0.913 512 N CB 0.580 39.003 38.487 -0.107 0.000 1.129 512 N HN 0.422 nan 8.380 nan 0.000 0.444 513 L N 2.506 123.669 121.223 -0.100 0.000 2.283 513 L HA 0.286 4.626 4.340 -0.000 0.000 0.281 513 L C -0.146 176.706 176.870 -0.031 0.000 1.033 513 L CA -0.365 54.439 54.840 -0.059 0.000 0.848 513 L CB 0.130 42.159 42.059 -0.050 0.000 1.226 513 L HN 0.397 nan 8.230 nan 0.000 0.429 514 K N 0.000 120.386 120.400 -0.023 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.281 56.287 -0.010 0.000 0.838 514 K CB 0.000 32.496 32.500 -0.007 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543