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_A 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 0.000 176.300 176.300 0.001 0.000 1.140 1 M CA 0.000 55.287 55.300 -0.022 0.000 0.988 1 M CB 0.000 32.608 32.600 0.014 0.000 1.302 2 F N 3.195 123.133 119.950 -0.019 0.000 2.091 2 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 2 F C 2.094 177.901 175.800 0.011 0.000 1.103 2 F CA 2.183 60.236 58.000 0.088 0.000 1.228 2 F CB -0.098 38.957 39.000 0.091 0.000 0.984 2 F HN 0.165 nan 8.300 nan 0.000 0.477 3 I N 0.744 121.364 120.570 0.082 0.000 2.151 3 I HA -0.357 3.813 4.170 -0.000 0.000 0.243 3 I C 1.900 177.684 176.117 -0.554 0.000 1.080 3 I CA 1.856 63.004 61.300 -0.253 0.000 1.339 3 I CB -1.841 35.913 38.000 -0.410 0.000 1.039 3 I HN 0.240 nan 8.210 nan 0.000 0.409 4 N N 0.351 118.791 118.700 -0.434 0.000 2.188 4 N HA -0.167 4.573 4.740 -0.000 0.000 0.184 4 N C 1.970 177.339 175.510 -0.236 0.000 1.018 4 N CA 0.940 53.808 53.050 -0.304 0.000 0.858 4 N CB -0.266 38.134 38.487 -0.146 0.000 0.989 4 N HN 0.325 nan 8.380 nan 0.000 0.426 5 R N -0.528 119.751 120.500 -0.368 0.000 2.062 5 R HA -0.011 4.329 4.340 -0.000 0.000 0.226 5 R C 0.994 176.793 176.300 -0.835 0.000 1.125 5 R CA 1.187 56.909 56.100 -0.630 0.000 0.966 5 R CB -0.127 29.662 30.300 -0.852 0.000 0.861 5 R HN 0.305 nan 8.270 nan 0.000 0.433 6 W N -0.343 120.756 121.300 -0.336 0.000 3.077 6 W HA 0.233 4.893 4.660 -0.000 0.000 0.266 6 W C 1.241 177.787 176.519 0.045 0.000 1.300 6 W CA -0.210 56.969 57.345 -0.277 0.000 1.586 6 W CB 0.490 29.549 29.460 -0.668 0.000 1.103 6 W HN 0.071 nan 8.180 nan 0.000 0.652 7 L N -2.059 119.257 121.223 0.154 0.000 2.803 7 L HA 0.208 4.548 4.340 -0.000 0.000 0.246 7 L C 0.707 177.870 176.870 0.488 0.000 1.100 7 L CA 0.100 55.082 54.840 0.237 0.000 0.919 7 L CB -0.077 41.966 42.059 -0.026 0.000 1.285 7 L HN -0.159 nan 8.230 nan 0.000 0.522 8 F N 0.165 120.102 119.950 -0.022 0.000 2.668 8 F HA 0.314 4.841 4.527 -0.000 0.000 0.301 8 F C 1.442 177.223 175.800 -0.033 0.000 1.106 8 F CA -1.009 56.969 58.000 -0.036 0.000 1.289 8 F CB -0.497 38.470 39.000 -0.055 0.000 1.006 8 F HN -0.185 nan 8.300 nan 0.000 0.535 9 S N 0.864 116.644 115.700 0.134 0.000 2.563 9 S HA 0.202 4.672 4.470 -0.000 0.000 0.269 9 S C 1.036 175.641 174.600 0.008 0.000 1.364 9 S CA 1.175 59.373 58.200 -0.004 0.000 1.010 9 S CB 0.280 63.414 63.200 -0.111 0.000 0.877 9 S HN 0.521 nan 8.310 nan 0.000 0.549 10 T N 0.159 114.679 114.554 -0.055 0.000 4.381 10 T HA 0.275 4.625 4.350 -0.000 0.000 0.309 10 T C -0.691 173.928 174.700 -0.134 0.000 0.912 10 T CA -0.629 61.442 62.100 -0.048 0.000 0.976 10 T CB -0.878 67.989 68.868 -0.002 0.000 1.051 10 T HN 0.514 nan 8.240 nan 0.000 0.447 11 N N 1.722 120.267 118.700 -0.259 0.000 2.483 11 N HA 0.144 4.884 4.740 -0.000 0.000 0.267 11 N C 1.317 176.550 175.510 -0.462 0.000 0.998 11 N CA -0.405 52.363 53.050 -0.469 0.000 0.918 11 N CB 1.103 39.080 38.487 -0.850 0.000 1.215 11 N HN 0.491 nan 8.380 nan 0.000 0.500 12 H N 3.940 122.765 119.070 -0.409 0.000 2.390 12 H HA -0.135 4.421 4.556 -0.000 0.000 0.298 12 H C 0.531 175.502 175.328 -0.596 0.000 1.106 12 H CA 1.324 57.137 56.048 -0.392 0.000 1.297 12 H CB 0.341 29.912 29.762 -0.317 0.000 1.375 12 H HN 0.485 nan 8.280 nan 0.000 0.509 13 K N 0.536 120.003 120.400 -1.554 0.000 1.973 13 K HA -0.102 4.218 4.320 -0.000 0.000 0.210 13 K C 2.047 177.950 176.600 -1.162 0.000 1.045 13 K CA 1.387 56.579 56.287 -1.825 0.000 0.937 13 K CB 0.014 31.439 32.500 -1.792 0.000 0.721 13 K HN 0.203 nan 8.250 nan 0.000 0.438 14 D N 1.045 120.963 120.400 -0.802 0.000 2.158 14 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 14 D C 1.878 178.011 176.300 -0.277 0.000 0.995 14 D CA 1.086 54.806 54.000 -0.468 0.000 0.846 14 D CB -0.196 40.173 40.800 -0.718 0.000 0.941 14 D HN 0.210 nan 8.370 nan 0.000 0.456 15 I N 0.549 120.905 120.570 -0.358 0.000 2.233 15 I HA -0.113 4.057 4.170 -0.000 0.000 0.243 15 I C 2.597 178.613 176.117 -0.168 0.000 1.093 15 I CA 1.161 62.297 61.300 -0.272 0.000 1.380 15 I CB -0.576 37.330 38.000 -0.157 0.000 1.067 15 I HN 0.010 nan 8.210 nan 0.000 0.413 16 G N 0.397 109.093 108.800 -0.173 0.000 2.469 16 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 16 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 16 G C 1.647 176.583 174.900 0.062 0.000 1.136 16 G CA 1.611 46.705 45.100 -0.010 0.000 0.759 16 G HN 0.291 nan 8.290 nan 0.000 0.562 17 T N 0.925 115.475 114.554 -0.006 0.000 2.737 17 T HA -0.060 4.290 4.350 -0.000 0.000 0.265 17 T C 2.258 176.941 174.700 -0.029 0.000 1.038 17 T CA 0.864 63.031 62.100 0.111 0.000 1.144 17 T CB -0.209 68.785 68.868 0.210 0.000 0.866 17 T HN 0.065 nan 8.240 nan 0.000 0.434 18 L N 0.072 121.180 121.223 -0.192 0.000 2.079 18 L HA -0.025 4.315 4.340 -0.000 0.000 0.210 18 L C 1.974 178.554 176.870 -0.483 0.000 1.081 18 L CA 1.555 56.078 54.840 -0.529 0.000 0.752 18 L CB -0.986 40.452 42.059 -1.034 0.000 0.896 18 L HN 0.287 nan 8.230 nan 0.000 0.433 19 Y N -0.621 119.503 120.300 -0.293 0.000 2.060 19 Y HA -0.240 4.310 4.550 -0.000 0.000 0.276 19 Y C 2.440 178.422 175.900 0.136 0.000 1.127 19 Y CA 1.752 59.881 58.100 0.049 0.000 1.104 19 Y CB -0.720 37.774 38.460 0.057 0.000 0.983 19 Y HN 0.008 nan 8.280 nan 0.000 0.483 20 L N -0.523 120.833 121.223 0.222 0.000 2.151 20 L HA -0.325 4.015 4.340 -0.000 0.000 0.215 20 L C 2.358 179.331 176.870 0.171 0.000 1.084 20 L CA 1.257 56.178 54.840 0.134 0.000 0.764 20 L CB -0.820 41.248 42.059 0.016 0.000 0.891 20 L HN 0.327 nan 8.230 nan 0.000 0.435 21 L N -1.560 119.756 121.223 0.155 0.000 2.044 21 L HA -0.217 4.123 4.340 -0.000 0.000 0.205 21 L C 2.547 179.567 176.870 0.250 0.000 1.075 21 L CA 1.276 56.208 54.840 0.153 0.000 0.747 21 L CB -0.396 41.695 42.059 0.053 0.000 0.903 21 L HN 0.177 nan 8.230 nan 0.000 0.435 22 F N 0.719 120.772 119.950 0.172 0.000 2.095 22 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 22 F C 2.240 178.193 175.800 0.256 0.000 1.104 22 F CA 1.731 59.874 58.000 0.239 0.000 1.232 22 F CB -0.634 38.547 39.000 0.302 0.000 0.987 22 F HN 0.015 nan 8.300 nan 0.000 0.475 23 G N -0.280 108.781 108.800 0.434 0.000 2.469 23 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.219 23 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.219 23 G C 1.778 176.748 174.900 0.117 0.000 1.150 23 G CA 0.978 46.232 45.100 0.257 0.000 0.763 23 G HN 0.643 nan 8.290 nan 0.000 0.561 24 A N -0.146 122.749 122.820 0.124 0.000 1.855 24 A HA -0.009 4.311 4.320 -0.000 0.000 0.215 24 A C 2.135 179.769 177.584 0.084 0.000 1.191 24 A CA 1.579 53.658 52.037 0.070 0.000 0.613 24 A CB -0.833 18.215 19.000 0.080 0.000 0.829 24 A HN 0.511 nan 8.150 nan 0.000 0.442 25 W N 0.543 121.814 121.300 -0.048 0.000 2.311 25 W HA -0.231 4.429 4.660 -0.000 0.000 0.326 25 W C 2.628 179.101 176.519 -0.077 0.000 1.239 25 W CA 2.832 60.141 57.345 -0.060 0.000 1.258 25 W CB -0.502 28.911 29.460 -0.078 0.000 1.165 25 W HN 0.374 nan 8.180 nan 0.000 0.466 26 A N 0.501 123.322 122.820 0.002 0.000 1.917 26 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 26 A C 2.204 179.721 177.584 -0.113 0.000 1.182 26 A CA 2.409 54.361 52.037 -0.142 0.000 0.633 26 A CB -1.766 17.027 19.000 -0.346 0.000 0.819 26 A HN 0.487 nan 8.150 nan 0.000 0.448 27 G N -1.093 107.662 108.800 -0.074 0.000 2.440 27 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 27 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 27 G C 1.481 176.328 174.900 -0.088 0.000 1.154 27 G CA 1.325 46.394 45.100 -0.052 0.000 0.767 27 G HN 0.344 nan 8.290 nan 0.000 0.552 28 M N 0.419 119.921 119.600 -0.163 0.000 2.080 28 M HA -0.060 4.420 4.480 -0.000 0.000 0.260 28 M C 2.776 178.948 176.300 -0.214 0.000 1.068 28 M CA 0.814 55.992 55.300 -0.204 0.000 1.109 28 M CB -1.299 31.115 32.600 -0.311 0.000 1.342 28 M HN 0.127 nan 8.290 nan 0.000 0.405 29 V N 0.218 119.957 119.914 -0.292 0.000 2.237 29 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 29 V C 2.615 178.693 176.094 -0.027 0.000 1.046 29 V CA 2.219 64.406 62.300 -0.189 0.000 1.007 29 V CB -1.727 30.012 31.823 -0.141 0.000 0.638 29 V HN 0.577 nan 8.190 nan 0.000 0.445 30 G N -0.762 108.053 108.800 0.026 0.000 2.462 30 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 30 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 30 G C 1.627 176.605 174.900 0.129 0.000 1.121 30 G CA 1.613 46.770 45.100 0.095 0.000 0.758 30 G HN 0.505 nan 8.290 nan 0.000 0.559 31 T N 1.430 116.011 114.554 0.046 0.000 2.777 31 T HA 0.075 4.425 4.350 -0.000 0.000 0.266 31 T C 2.845 177.554 174.700 0.015 0.000 1.040 31 T CA 1.380 63.506 62.100 0.042 0.000 1.141 31 T CB -0.326 68.538 68.868 -0.006 0.000 0.868 31 T HN 0.374 nan 8.240 nan 0.000 0.444 32 A N 1.387 124.195 122.820 -0.021 0.000 1.877 32 A HA 0.017 4.337 4.320 -0.000 0.000 0.216 32 A C 2.317 179.892 177.584 -0.016 0.000 1.186 32 A CA 1.208 53.220 52.037 -0.042 0.000 0.620 32 A CB -0.976 17.990 19.000 -0.056 0.000 0.822 32 A HN 0.446 nan 8.150 nan 0.000 0.443 33 L N 0.514 121.753 121.223 0.026 0.000 2.013 33 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 33 L C 3.081 179.931 176.870 -0.033 0.000 1.073 33 L CA 1.885 56.742 54.840 0.028 0.000 0.753 33 L CB -0.567 41.559 42.059 0.113 0.000 0.890 33 L HN 0.644 nan 8.230 nan 0.000 0.432 34 S N -0.275 115.456 115.700 0.051 0.000 2.382 34 S HA -0.195 4.275 4.470 -0.000 0.000 0.228 34 S C 1.933 176.482 174.600 -0.085 0.000 1.027 34 S CA 1.080 59.229 58.200 -0.084 0.000 0.991 34 S CB -0.564 62.760 63.200 0.207 0.000 0.823 34 S HN 0.288 nan 8.310 nan 0.000 0.469 35 L N 0.549 121.730 121.223 -0.070 0.000 2.217 35 L HA 0.229 4.569 4.340 -0.000 0.000 0.211 35 L C 2.416 179.254 176.870 -0.053 0.000 1.107 35 L CA 0.890 55.657 54.840 -0.122 0.000 0.783 35 L CB -0.351 41.574 42.059 -0.223 0.000 0.919 35 L HN 0.330 nan 8.230 nan 0.000 0.442 36 L N -1.252 119.954 121.223 -0.028 0.000 2.044 36 L HA -0.206 4.133 4.340 -0.000 0.000 0.205 36 L C 2.332 179.235 176.870 0.055 0.000 1.075 36 L CA 1.178 56.032 54.840 0.022 0.000 0.747 36 L CB -0.407 41.658 42.059 0.010 0.000 0.903 36 L HN 0.167 nan 8.230 nan 0.000 0.435 37 I N -0.482 120.081 120.570 -0.012 0.000 2.145 37 I HA -0.343 3.827 4.170 -0.000 0.000 0.244 37 I C 2.659 178.866 176.117 0.149 0.000 1.075 37 I CA 1.266 62.589 61.300 0.038 0.000 1.332 37 I CB -0.413 37.516 38.000 -0.120 0.000 1.033 37 I HN 0.279 nan 8.210 nan 0.000 0.410 38 R N 0.789 121.339 120.500 0.082 0.000 2.115 38 R HA 0.049 4.389 4.340 -0.000 0.000 0.226 38 R C 2.275 178.679 176.300 0.174 0.000 1.100 38 R CA 1.257 57.426 56.100 0.115 0.000 0.980 38 R CB -0.922 29.423 30.300 0.074 0.000 0.875 38 R HN 0.389 nan 8.270 nan 0.000 0.445 39 A N 1.271 124.203 122.820 0.187 0.000 2.019 39 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 39 A C 2.083 179.765 177.584 0.163 0.000 1.164 39 A CA 1.690 53.852 52.037 0.210 0.000 0.644 39 A CB -0.205 18.916 19.000 0.200 0.000 0.805 39 A HN 0.279 nan 8.150 nan 0.000 0.449 40 E N -0.100 120.207 120.200 0.179 0.000 2.170 40 E HA 0.026 4.376 4.350 -0.000 0.000 0.191 40 E C 1.386 178.083 176.600 0.161 0.000 0.981 40 E CA 0.884 57.389 56.400 0.174 0.000 0.830 40 E CB -0.278 29.585 29.700 0.273 0.000 0.775 40 E HN 0.531 nan 8.360 nan 0.000 0.470 41 L N -0.564 120.780 121.223 0.202 0.000 2.640 41 L HA 0.371 4.711 4.340 -0.000 0.000 0.230 41 L C 1.787 178.802 176.870 0.242 0.000 1.123 41 L CA 0.320 55.312 54.840 0.254 0.000 0.900 41 L CB 0.559 42.733 42.059 0.193 0.000 1.146 41 L HN 0.209 nan 8.230 nan 0.000 0.484 42 G N -0.540 108.364 108.800 0.172 0.000 2.920 42 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.208 42 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.208 42 G C 0.406 175.384 174.900 0.131 0.000 1.159 42 G CA 0.112 45.291 45.100 0.132 0.000 0.784 42 G HN 0.345 nan 8.290 nan 0.000 0.535 43 Q N 0.161 120.055 119.800 0.157 0.000 2.352 43 Q HA 0.297 4.637 4.340 -0.000 0.000 0.270 43 Q C -2.984 173.030 176.000 0.023 0.000 1.006 43 Q CA -1.846 54.013 55.803 0.093 0.000 0.880 43 Q CB 3.025 31.782 28.738 0.032 0.000 1.392 43 Q HN -0.019 nan 8.270 nan 0.000 0.401 44 P HA 0.265 nan 4.420 nan 0.000 0.265 44 P C 0.136 177.302 177.300 -0.224 0.000 1.193 44 P CA 1.119 64.014 63.100 -0.342 0.000 0.765 44 P CB 0.737 32.283 31.700 -0.257 0.000 0.823 45 G N 2.166 110.806 108.800 -0.267 0.000 2.343 45 G HA2 0.176 4.136 3.960 -0.000 0.000 0.562 45 G HA3 0.176 4.136 3.960 -0.000 0.000 0.562 45 G C -1.049 173.778 174.900 -0.122 0.000 1.269 45 G CA -0.283 44.723 45.100 -0.157 0.000 1.011 45 G HN 0.762 nan 8.290 nan 0.000 0.498 46 T N -1.405 113.102 114.554 -0.079 0.000 2.812 46 T HA 0.636 4.986 4.350 -0.000 0.000 0.282 46 T C 0.766 175.455 174.700 -0.018 0.000 0.990 46 T CA 0.067 62.135 62.100 -0.053 0.000 0.960 46 T CB 2.011 70.848 68.868 -0.052 0.000 0.948 46 T HN 1.417 nan 8.240 nan 0.000 0.438 47 L N 3.019 124.248 121.223 0.010 0.000 2.262 47 L HA 0.448 4.788 4.340 -0.000 0.000 0.197 47 L C 1.822 178.718 176.870 0.043 0.000 1.073 47 L CA 0.759 55.618 54.840 0.032 0.000 0.800 47 L CB -0.433 41.660 42.059 0.056 0.000 0.987 47 L HN 0.771 nan 8.230 nan 0.000 0.470 48 L N -0.987 120.275 121.223 0.065 0.000 2.062 48 L HA 0.351 4.691 4.340 -0.000 0.000 0.202 48 L C 1.288 178.191 176.870 0.054 0.000 1.079 48 L CA 0.771 55.655 54.840 0.073 0.000 0.755 48 L CB -0.678 41.451 42.059 0.117 0.000 0.913 48 L HN 0.485 nan 8.230 nan 0.000 0.445 49 G N -0.905 107.927 108.800 0.054 0.000 2.452 49 G HA2 0.057 4.017 3.960 -0.000 0.000 0.224 49 G HA3 0.057 4.017 3.960 -0.000 0.000 0.224 49 G C -1.858 173.060 174.900 0.029 0.000 1.208 49 G CA -0.165 44.955 45.100 0.034 0.000 0.946 49 G HN 0.201 nan 8.290 nan 0.000 0.481 50 D N 0.227 120.643 120.400 0.026 0.000 2.361 50 D HA 0.246 4.886 4.640 -0.000 0.000 0.239 50 D C 0.442 176.775 176.300 0.056 0.000 1.200 50 D CA -0.203 53.806 54.000 0.016 0.000 0.915 50 D CB 0.418 41.223 40.800 0.008 0.000 1.170 50 D HN 0.201 nan 8.370 nan 0.000 0.444 51 D N -0.624 119.796 120.400 0.035 0.000 2.362 51 D HA -0.189 4.451 4.640 -0.000 0.000 0.215 51 D C 1.585 177.988 176.300 0.172 0.000 0.978 51 D CA 1.034 55.100 54.000 0.109 0.000 0.921 51 D CB -0.030 40.805 40.800 0.059 0.000 0.895 51 D HN 0.516 nan 8.370 nan 0.000 0.494 52 Q N 0.262 120.128 119.800 0.111 0.000 2.020 52 Q HA -0.073 4.267 4.340 -0.000 0.000 0.198 52 Q C 1.955 178.032 176.000 0.127 0.000 0.974 52 Q CA 0.796 56.664 55.803 0.108 0.000 0.829 52 Q CB -0.383 28.387 28.738 0.054 0.000 0.894 52 Q HN 0.265 nan 8.270 nan 0.000 0.433 53 I N 0.109 120.751 120.570 0.119 0.000 2.546 53 I HA -0.134 4.036 4.170 -0.000 0.000 0.255 53 I C 1.823 178.023 176.117 0.138 0.000 1.163 53 I CA 1.039 62.405 61.300 0.111 0.000 1.457 53 I CB -0.455 37.599 38.000 0.090 0.000 1.092 53 I HN 0.410 nan 8.210 nan 0.000 0.434 54 Y N 1.224 121.556 120.300 0.054 0.000 2.130 54 Y HA -0.172 4.378 4.550 -0.000 0.000 0.287 54 Y C 2.301 178.242 175.900 0.069 0.000 1.124 54 Y CA 1.877 60.013 58.100 0.060 0.000 1.118 54 Y CB -0.570 37.930 38.460 0.065 0.000 0.994 54 Y HN 0.161 nan 8.280 nan 0.000 0.497 55 N N 0.126 118.914 118.700 0.147 0.000 2.443 55 N HA -0.150 4.590 4.740 -0.000 0.000 0.184 55 N C 1.847 177.356 175.510 -0.002 0.000 1.037 55 N CA 1.142 54.215 53.050 0.038 0.000 0.896 55 N CB -0.060 38.535 38.487 0.180 0.000 0.959 55 N HN 0.314 nan 8.380 nan 0.000 0.442 56 V N 0.558 120.493 119.914 0.035 0.000 2.307 56 V HA -0.154 3.966 4.120 -0.000 0.000 0.245 56 V C 2.373 178.471 176.094 0.007 0.000 1.045 56 V CA 1.026 63.356 62.300 0.050 0.000 1.024 56 V CB -0.195 31.675 31.823 0.077 0.000 0.651 56 V HN 0.021 nan 8.190 nan 0.000 0.449 57 V N -0.515 119.369 119.914 -0.051 0.000 2.287 57 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 57 V C 2.419 178.444 176.094 -0.115 0.000 1.053 57 V CA 2.028 64.281 62.300 -0.080 0.000 1.027 57 V CB -0.470 31.276 31.823 -0.128 0.000 0.646 57 V HN 0.391 nan 8.190 nan 0.000 0.447 58 V N -0.021 119.749 119.914 -0.241 0.000 2.287 58 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 58 V C 2.601 178.682 176.094 -0.022 0.000 1.053 58 V CA 2.819 65.011 62.300 -0.180 0.000 1.027 58 V CB -0.935 30.763 31.823 -0.208 0.000 0.646 58 V HN 0.652 nan 8.190 nan 0.000 0.447 59 T N 0.325 114.854 114.554 -0.042 0.000 2.684 59 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 59 T C 2.016 176.686 174.700 -0.050 0.000 1.036 59 T CA 1.682 63.719 62.100 -0.104 0.000 1.148 59 T CB -0.532 68.291 68.868 -0.075 0.000 0.863 59 T HN 0.583 nan 8.240 nan 0.000 0.436 60 A N 1.374 124.254 122.820 0.099 0.000 1.978 60 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 60 A C 2.114 179.845 177.584 0.245 0.000 1.170 60 A CA 1.855 54.025 52.037 0.223 0.000 0.636 60 A CB -0.918 18.193 19.000 0.184 0.000 0.810 60 A HN 0.740 nan 8.150 nan 0.000 0.448 61 H N 0.023 119.119 119.070 0.043 0.000 2.276 61 H HA -0.077 4.479 4.556 -0.000 0.000 0.301 61 H C 2.331 177.669 175.328 0.016 0.000 1.073 61 H CA 1.769 57.843 56.048 0.042 0.000 1.311 61 H CB -0.361 29.412 29.762 0.018 0.000 1.379 61 H HN 0.381 nan 8.280 nan 0.000 0.494 62 A N 1.142 123.989 122.820 0.044 0.000 1.884 62 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 62 A C 2.361 179.863 177.584 -0.137 0.000 1.197 62 A CA 1.984 53.865 52.037 -0.261 0.000 0.637 62 A CB -1.261 17.492 19.000 -0.413 0.000 0.827 62 A HN 0.420 nan 8.150 nan 0.000 0.450 63 F N -0.181 119.832 119.950 0.105 0.000 2.102 63 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 63 F C 2.588 178.516 175.800 0.214 0.000 1.105 63 F CA 1.030 59.144 58.000 0.191 0.000 1.239 63 F CB -1.149 37.997 39.000 0.243 0.000 0.991 63 F HN 0.030 nan 8.300 nan 0.000 0.474 64 V N -0.333 119.872 119.914 0.483 0.000 2.343 64 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 64 V C 2.509 178.708 176.094 0.174 0.000 1.051 64 V CA 1.449 64.029 62.300 0.467 0.000 1.036 64 V CB -0.567 31.498 31.823 0.403 0.000 0.654 64 V HN 0.211 nan 8.190 nan 0.000 0.451 65 M N -0.862 118.740 119.600 0.004 0.000 2.099 65 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 65 M C 2.161 178.384 176.300 -0.129 0.000 1.067 65 M CA 1.940 57.170 55.300 -0.117 0.000 1.124 65 M CB -0.930 31.490 32.600 -0.301 0.000 1.353 65 M HN 0.266 nan 8.290 nan 0.000 0.410 66 I N -0.688 119.790 120.570 -0.153 0.000 2.094 66 I HA -0.276 3.894 4.170 -0.000 0.000 0.234 66 I C 2.204 178.160 176.117 -0.268 0.000 1.063 66 I CA 1.404 62.558 61.300 -0.244 0.000 1.328 66 I CB -0.449 37.365 38.000 -0.310 0.000 1.058 66 I HN 0.049 nan 8.210 nan 0.000 0.400 67 F N -0.133 119.644 119.950 -0.287 0.000 2.325 67 F HA -0.101 4.426 4.527 -0.000 0.000 0.299 67 F C 1.888 177.314 175.800 -0.623 0.000 1.090 67 F CA 1.161 58.853 58.000 -0.512 0.000 1.392 67 F CB -0.404 38.122 39.000 -0.789 0.000 1.053 67 F HN -0.021 nan 8.300 nan 0.000 0.521 68 F N -2.059 118.001 119.950 0.182 0.000 2.678 68 F HA 0.205 4.732 4.527 -0.000 0.000 0.291 68 F C 1.926 177.768 175.800 0.071 0.000 1.123 68 F CA 0.094 58.152 58.000 0.097 0.000 1.395 68 F CB -0.364 38.434 39.000 -0.335 0.000 1.121 68 F HN -0.090 nan 8.300 nan 0.000 0.592 69 M N -0.753 118.919 119.600 0.119 0.000 2.935 69 M HA 0.054 4.534 4.480 -0.000 0.000 0.213 69 M C 1.920 178.260 176.300 0.066 0.000 1.427 69 M CA 0.974 56.325 55.300 0.085 0.000 1.367 69 M CB -0.536 32.078 32.600 0.023 0.000 1.038 69 M HN -0.154 nan 8.290 nan 0.000 0.547 70 V N 2.159 122.068 119.914 -0.008 0.000 2.231 70 V HA -0.379 3.741 4.120 -0.000 0.000 0.250 70 V C 2.607 178.686 176.094 -0.026 0.000 1.058 70 V CA 2.622 64.905 62.300 -0.028 0.000 1.022 70 V CB -0.839 30.924 31.823 -0.101 0.000 0.640 70 V HN 0.594 nan 8.190 nan 0.000 0.445 71 M N -0.936 118.613 119.600 -0.086 0.000 2.080 71 M HA -0.135 4.345 4.480 -0.000 0.000 0.260 71 M C 0.103 176.390 176.300 -0.022 0.000 1.068 71 M CA 2.361 57.602 55.300 -0.097 0.000 1.109 71 M CB -1.766 30.722 32.600 -0.187 0.000 1.342 71 M HN 0.302 nan 8.290 nan 0.000 0.405 72 P HA -0.121 nan 4.420 nan 0.000 0.214 72 P C 1.522 178.883 177.300 0.102 0.000 1.163 72 P CA 1.367 64.568 63.100 0.169 0.000 0.883 72 P CB -0.122 31.852 31.700 0.457 0.000 0.788 73 I N -1.746 118.923 120.570 0.165 0.000 2.127 73 I HA -0.275 3.895 4.170 -0.000 0.000 0.241 73 I C 2.445 178.716 176.117 0.257 0.000 1.075 73 I CA 1.762 63.169 61.300 0.179 0.000 1.334 73 I CB -0.580 37.540 38.000 0.200 0.000 1.040 73 I HN -0.078 nan 8.210 nan 0.000 0.405 74 M N -0.168 119.575 119.600 0.238 0.000 2.132 74 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 74 M C 2.274 178.687 176.300 0.188 0.000 1.065 74 M CA 1.937 57.409 55.300 0.286 0.000 1.122 74 M CB -0.287 32.389 32.600 0.126 0.000 1.365 74 M HN 0.229 nan 8.290 nan 0.000 0.411 75 I N -1.050 119.519 120.570 -0.001 0.000 2.810 75 I HA 0.041 4.211 4.170 -0.000 0.000 0.262 75 I C 2.576 178.604 176.117 -0.148 0.000 1.131 75 I CA 0.792 62.009 61.300 -0.137 0.000 1.453 75 I CB -0.682 37.169 38.000 -0.249 0.000 1.161 75 I HN 0.263 nan 8.210 nan 0.000 0.444 76 G N 0.598 109.157 108.800 -0.402 0.000 2.430 76 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.216 76 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.216 76 G C 1.503 176.152 174.900 -0.418 0.000 1.146 76 G CA 0.804 45.291 45.100 -1.021 0.000 0.793 76 G HN 0.460 nan 8.290 nan 0.000 0.537 77 G N 0.540 109.260 108.800 -0.134 0.000 2.655 77 G HA2 0.117 4.077 3.960 -0.000 0.000 0.217 77 G HA3 0.117 4.077 3.960 -0.000 0.000 0.217 77 G C 1.407 176.280 174.900 -0.044 0.000 1.279 77 G CA 0.312 45.379 45.100 -0.054 0.000 0.870 77 G HN 0.200 nan 8.290 nan 0.000 0.560 78 F N 2.056 122.076 119.950 0.116 0.000 2.202 78 F HA 0.015 4.542 4.527 -0.000 0.000 0.301 78 F C 2.867 178.819 175.800 0.254 0.000 1.082 78 F CA 1.068 59.128 58.000 0.100 0.000 1.313 78 F CB -0.600 38.410 39.000 0.018 0.000 1.024 78 F HN 0.223 nan 8.300 nan 0.000 0.495 79 G N -0.270 108.796 108.800 0.443 0.000 2.433 79 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 79 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 79 G C 1.734 176.943 174.900 0.513 0.000 1.186 79 G CA 0.842 46.199 45.100 0.428 0.000 0.779 79 G HN 0.240 nan 8.290 nan 0.000 0.543 80 N N -0.300 118.617 118.700 0.362 0.000 2.188 80 N HA -0.075 4.665 4.740 -0.000 0.000 0.184 80 N C 1.883 177.536 175.510 0.238 0.000 1.018 80 N CA 0.748 53.912 53.050 0.190 0.000 0.858 80 N CB -0.219 38.321 38.487 0.087 0.000 0.989 80 N HN 0.553 nan 8.380 nan 0.000 0.426 81 W N 1.514 122.866 121.300 0.086 0.000 2.381 81 W HA -0.006 4.654 4.660 -0.000 0.000 0.321 81 W C 2.211 178.823 176.519 0.155 0.000 1.196 81 W CA 0.701 58.087 57.345 0.068 0.000 1.304 81 W CB -0.420 28.915 29.460 -0.209 0.000 1.166 81 W HN -0.020 nan 8.180 nan 0.000 0.473 82 L N -0.932 120.531 121.223 0.399 0.000 2.179 82 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 82 L C 2.045 179.033 176.870 0.196 0.000 1.096 82 L CA 0.387 55.340 54.840 0.188 0.000 0.779 82 L CB -1.450 40.515 42.059 -0.158 0.000 0.922 82 L HN -0.129 nan 8.230 nan 0.000 0.443 83 V N 0.699 120.760 119.914 0.246 0.000 2.233 83 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 83 V C 0.001 176.083 176.094 -0.021 0.000 1.050 83 V CA 2.254 64.641 62.300 0.147 0.000 1.010 83 V CB -1.544 30.398 31.823 0.197 0.000 0.637 83 V HN 0.327 nan 8.190 nan 0.000 0.444 84 P HA -0.116 nan 4.420 nan 0.000 0.218 84 P C 1.798 178.996 177.300 -0.171 0.000 1.148 84 P CA 1.346 64.249 63.100 -0.328 0.000 0.822 84 P CB -0.064 31.154 31.700 -0.804 0.000 0.784 85 L N -2.166 119.072 121.223 0.024 0.000 2.109 85 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 85 L C 2.354 179.301 176.870 0.130 0.000 1.086 85 L CA 1.287 56.265 54.840 0.229 0.000 0.760 85 L CB -0.848 41.392 42.059 0.301 0.000 0.910 85 L HN -0.020 nan 8.230 nan 0.000 0.437 86 M N 0.043 119.698 119.600 0.091 0.000 2.394 86 M HA -0.039 4.441 4.480 -0.000 0.000 0.264 86 M C 1.797 178.106 176.300 0.015 0.000 1.073 86 M CA 1.406 56.775 55.300 0.115 0.000 1.111 86 M CB -0.108 32.608 32.600 0.194 0.000 1.401 86 M HN 0.340 nan 8.290 nan 0.000 0.448 87 I N -3.793 116.715 120.570 -0.104 0.000 4.025 87 I HA 0.495 4.665 4.170 -0.000 0.000 0.336 87 I C 0.892 176.796 176.117 -0.356 0.000 1.390 87 I CA -0.016 61.179 61.300 -0.176 0.000 1.099 87 I CB -0.108 37.795 38.000 -0.162 0.000 1.049 87 I HN 0.322 nan 8.210 nan 0.000 0.394 88 G N 1.932 110.353 108.800 -0.632 0.000 2.198 88 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.260 88 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.260 88 G C 0.324 174.585 174.900 -1.064 0.000 1.025 88 G CA 0.156 44.398 45.100 -1.430 0.000 0.769 88 G HN 0.938 nan 8.290 nan 0.000 0.507 89 A N 0.265 122.729 122.820 -0.593 0.000 2.316 89 A HA 0.809 5.129 4.320 -0.000 0.000 0.284 89 A C -0.004 177.506 177.584 -0.124 0.000 1.115 89 A CA -0.754 51.097 52.037 -0.309 0.000 0.812 89 A CB 0.965 19.806 19.000 -0.265 0.000 1.064 89 A HN 0.115 nan 8.150 nan 0.000 0.489 90 P HA -0.033 nan 4.420 nan 0.000 0.219 90 P C 0.091 177.416 177.300 0.042 0.000 1.150 90 P CA 1.586 64.736 63.100 0.083 0.000 0.814 90 P CB 0.227 31.953 31.700 0.043 0.000 0.787 91 D N -3.820 116.523 120.400 -0.094 0.000 3.235 91 D HA 0.185 4.825 4.640 -0.000 0.000 0.360 91 D C -0.780 175.372 176.300 -0.247 0.000 1.465 91 D CA -0.616 53.297 54.000 -0.145 0.000 0.874 91 D CB -0.020 40.760 40.800 -0.032 0.000 1.465 91 D HN -0.362 nan 8.370 nan 0.000 0.533 92 M N 0.819 120.278 119.600 -0.236 0.000 2.267 92 M HA 0.477 4.957 4.480 -0.000 0.000 0.303 92 M C 1.038 177.149 176.300 -0.315 0.000 1.164 92 M CA -0.131 54.990 55.300 -0.299 0.000 1.060 92 M CB 0.751 33.170 32.600 -0.301 0.000 1.455 92 M HN 0.652 nan 8.290 nan 0.000 0.483 93 A N 0.963 123.504 122.820 -0.464 0.000 1.873 93 A HA -0.026 4.294 4.320 -0.000 0.000 0.215 93 A C 0.556 177.704 177.584 -0.725 0.000 1.186 93 A CA 1.513 53.117 52.037 -0.721 0.000 0.616 93 A CB -0.236 18.072 19.000 -1.153 0.000 0.823 93 A HN 0.598 nan 8.150 nan 0.000 0.442 94 F N -0.818 119.078 119.950 -0.090 0.000 2.389 94 F HA 0.378 4.905 4.527 -0.000 0.000 0.327 94 F C -2.036 173.728 175.800 -0.061 0.000 1.204 94 F CA -2.768 55.194 58.000 -0.063 0.000 1.209 94 F CB 0.697 39.666 39.000 -0.051 0.000 1.460 94 F HN 0.054 nan 8.300 nan 0.000 0.537 95 P HA -0.222 nan 4.420 nan 0.000 0.216 95 P C 1.945 179.269 177.300 0.040 0.000 1.154 95 P CA 1.714 64.820 63.100 0.009 0.000 0.865 95 P CB 0.286 31.981 31.700 -0.007 0.000 0.789 96 R N -1.130 119.405 120.500 0.058 0.000 2.062 96 R HA -0.050 4.290 4.340 -0.000 0.000 0.231 96 R C 2.410 178.749 176.300 0.066 0.000 1.136 96 R CA 1.599 57.729 56.100 0.049 0.000 0.948 96 R CB -0.826 29.492 30.300 0.030 0.000 0.845 96 R HN 0.151 nan 8.270 nan 0.000 0.430 97 M N 0.863 120.510 119.600 0.078 0.000 2.080 97 M HA -0.256 4.224 4.480 -0.000 0.000 0.260 97 M C 1.831 178.188 176.300 0.095 0.000 1.068 97 M CA 2.097 57.438 55.300 0.069 0.000 1.109 97 M CB -0.297 32.333 32.600 0.050 0.000 1.342 97 M HN 0.051 nan 8.290 nan 0.000 0.405 98 N N 0.644 119.404 118.700 0.100 0.000 2.094 98 N HA -0.250 4.490 4.740 -0.000 0.000 0.191 98 N C 1.358 176.943 175.510 0.124 0.000 1.023 98 N CA 2.139 55.245 53.050 0.092 0.000 0.857 98 N CB -0.462 38.040 38.487 0.025 0.000 1.013 98 N HN 0.462 nan 8.380 nan 0.000 0.426 99 N N -0.136 118.634 118.700 0.117 0.000 2.166 99 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 99 N C 1.716 177.378 175.510 0.253 0.000 1.019 99 N CA 1.076 54.234 53.050 0.181 0.000 0.856 99 N CB -0.253 38.352 38.487 0.197 0.000 0.993 99 N HN 0.450 nan 8.380 nan 0.000 0.426 100 M N -0.566 119.145 119.600 0.185 0.000 2.229 100 M HA -0.048 4.432 4.480 -0.000 0.000 0.264 100 M C 1.634 178.011 176.300 0.128 0.000 1.063 100 M CA 1.161 56.564 55.300 0.170 0.000 1.114 100 M CB -0.029 32.629 32.600 0.096 0.000 1.387 100 M HN 0.001 nan 8.290 nan 0.000 0.420 101 S N 0.263 116.042 115.700 0.132 0.000 2.400 101 S HA -0.152 4.318 4.470 -0.000 0.000 0.232 101 S C 1.432 176.088 174.600 0.092 0.000 1.025 101 S CA 1.479 59.767 58.200 0.147 0.000 0.993 101 S CB -0.541 62.794 63.200 0.224 0.000 0.808 101 S HN 0.664 nan 8.310 nan 0.000 0.478 102 F N 0.452 120.304 119.950 -0.163 0.000 2.147 102 F HA 0.100 4.627 4.527 -0.000 0.000 0.291 102 F C 1.473 176.927 175.800 -0.576 0.000 1.093 102 F CA 0.603 58.226 58.000 -0.628 0.000 1.263 102 F CB -0.557 37.839 39.000 -1.006 0.000 1.036 102 F HN 0.171 nan 8.300 nan 0.000 0.481 103 W N 0.795 121.916 121.300 -0.299 0.000 2.632 103 W HA -0.045 4.615 4.660 -0.000 0.000 0.248 103 W C 1.826 178.166 176.519 -0.300 0.000 1.259 103 W CA 0.434 57.580 57.345 -0.332 0.000 1.288 103 W CB -0.380 29.053 29.460 -0.046 0.000 1.136 103 W HN 0.081 nan 8.180 nan 0.000 0.640 104 L N -0.939 120.209 121.223 -0.123 0.000 2.341 104 L HA -0.120 4.220 4.340 -0.000 0.000 0.214 104 L C 2.093 178.891 176.870 -0.121 0.000 1.115 104 L CA 0.083 54.890 54.840 -0.055 0.000 0.820 104 L CB -0.396 41.664 42.059 0.001 0.000 0.944 104 L HN -0.003 nan 8.230 nan 0.000 0.452 105 L N 0.450 121.447 121.223 -0.378 0.000 1.976 105 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 105 L C -0.237 176.504 176.870 -0.215 0.000 1.071 105 L CA 2.255 56.846 54.840 -0.415 0.000 0.746 105 L CB -1.804 39.605 42.059 -1.083 0.000 0.890 105 L HN 0.064 nan 8.230 nan 0.000 0.432 106 P HA -0.125 nan 4.420 nan 0.000 0.215 106 P C -1.325 176.059 177.300 0.140 0.000 1.157 106 P CA 1.881 65.067 63.100 0.144 0.000 0.874 106 P CB -0.907 30.852 31.700 0.099 0.000 0.790 107 P HA -0.161 nan 4.420 nan 0.000 0.215 107 P C 1.910 179.271 177.300 0.103 0.000 1.157 107 P CA 1.811 64.959 63.100 0.080 0.000 0.868 107 P CB -0.497 31.240 31.700 0.062 0.000 0.788 108 S N -1.893 113.886 115.700 0.132 0.000 2.400 108 S HA -0.185 4.285 4.470 -0.000 0.000 0.232 108 S C 1.816 176.534 174.600 0.196 0.000 1.025 108 S CA 0.934 59.258 58.200 0.208 0.000 0.993 108 S CB -0.987 62.401 63.200 0.313 0.000 0.808 108 S HN -0.076 nan 8.310 nan 0.000 0.478 109 F N 1.540 121.396 119.950 -0.157 0.000 2.206 109 F HA 0.173 4.700 4.527 -0.000 0.000 0.298 109 F C 1.784 177.492 175.800 -0.153 0.000 1.090 109 F CA 0.462 58.195 58.000 -0.444 0.000 1.323 109 F CB -0.934 37.857 39.000 -0.348 0.000 1.028 109 F HN 0.283 nan 8.300 nan 0.000 0.492 110 L N 0.127 121.343 121.223 -0.012 0.000 2.017 110 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 110 L C 2.229 179.080 176.870 -0.033 0.000 1.073 110 L CA 1.753 56.553 54.840 -0.067 0.000 0.745 110 L CB -0.967 41.090 42.059 -0.003 0.000 0.894 110 L HN 0.129 nan 8.230 nan 0.000 0.432 111 L N -1.163 120.081 121.223 0.034 0.000 2.013 111 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 111 L C 2.558 179.467 176.870 0.064 0.000 1.073 111 L CA 1.566 56.449 54.840 0.071 0.000 0.753 111 L CB -0.785 41.347 42.059 0.122 0.000 0.890 111 L HN 0.365 nan 8.230 nan 0.000 0.432 112 L N -0.500 120.768 121.223 0.075 0.000 2.083 112 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 112 L C 2.300 179.198 176.870 0.047 0.000 1.083 112 L CA 1.561 56.467 54.840 0.110 0.000 0.752 112 L CB -0.197 42.010 42.059 0.248 0.000 0.899 112 L HN 0.122 nan 8.230 nan 0.000 0.433 113 L N -0.977 120.200 121.223 -0.077 0.000 2.044 113 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 113 L C 2.688 179.542 176.870 -0.027 0.000 1.075 113 L CA 1.070 55.847 54.840 -0.106 0.000 0.747 113 L CB -0.913 41.008 42.059 -0.231 0.000 0.903 113 L HN 0.331 nan 8.230 nan 0.000 0.435 114 A N 0.139 122.951 122.820 -0.014 0.000 2.024 114 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 114 A C 2.521 180.128 177.584 0.039 0.000 1.164 114 A CA 1.963 54.009 52.037 0.015 0.000 0.643 114 A CB -0.664 18.351 19.000 0.025 0.000 0.806 114 A HN 0.548 nan 8.150 nan 0.000 0.451 115 S N 0.525 116.256 115.700 0.053 0.000 2.382 115 S HA -0.159 4.311 4.470 -0.000 0.000 0.228 115 S C 1.938 176.581 174.600 0.071 0.000 1.027 115 S CA 1.823 60.065 58.200 0.069 0.000 0.991 115 S CB -0.787 62.462 63.200 0.081 0.000 0.823 115 S HN 0.967 nan 8.310 nan 0.000 0.469 116 S N 0.147 115.887 115.700 0.066 0.000 2.593 116 S HA 0.278 4.748 4.470 -0.000 0.000 0.217 116 S C 1.702 176.331 174.600 0.048 0.000 0.966 116 S CA -0.001 58.238 58.200 0.065 0.000 0.914 116 S CB -0.256 62.983 63.200 0.066 0.000 0.776 116 S HN 0.385 nan 8.310 nan 0.000 0.523 117 M N 1.939 121.562 119.600 0.039 0.000 2.276 117 M HA 0.213 4.693 4.480 -0.000 0.000 0.262 117 M C 1.254 177.576 176.300 0.037 0.000 1.098 117 M CA 0.612 55.930 55.300 0.031 0.000 1.167 117 M CB -0.867 31.746 32.600 0.021 0.000 1.337 117 M HN 0.403 nan 8.290 nan 0.000 0.446 118 V N 0.499 120.439 119.914 0.042 0.000 2.963 118 V HA 0.123 4.243 4.120 -0.000 0.000 0.306 118 V C 0.868 176.993 176.094 0.051 0.000 1.077 118 V CA -0.913 61.414 62.300 0.045 0.000 1.124 118 V CB 0.166 32.018 31.823 0.049 0.000 0.987 118 V HN 0.645 nan 8.190 nan 0.000 0.487 119 E N 2.667 122.894 120.200 0.045 0.000 3.521 119 E HA -0.373 3.977 4.350 -0.000 0.000 0.371 119 E C 1.070 177.698 176.600 0.047 0.000 1.564 119 E CA 2.078 58.504 56.400 0.045 0.000 1.834 119 E CB -1.671 28.061 29.700 0.054 0.000 1.742 119 E HN 1.497 nan 8.360 nan 0.000 0.445 120 A N 1.675 124.528 122.820 0.055 0.000 2.387 120 A HA 0.479 4.799 4.320 -0.000 0.000 0.234 120 A C 1.003 178.643 177.584 0.094 0.000 1.253 120 A CA 1.522 53.593 52.037 0.057 0.000 0.894 120 A CB -0.189 18.829 19.000 0.030 0.000 0.963 120 A HN 1.356 nan 8.150 nan 0.000 0.508 121 G N -1.209 107.655 108.800 0.107 0.000 2.782 121 G HA2 0.255 4.215 3.960 -0.000 0.000 0.228 121 G HA3 0.255 4.215 3.960 -0.000 0.000 0.228 121 G C 0.200 175.210 174.900 0.184 0.000 1.372 121 G CA -0.313 44.860 45.100 0.122 0.000 0.862 121 G HN 1.682 nan 8.290 nan 0.000 0.547 122 A N 0.410 123.311 122.820 0.135 0.000 3.000 122 A HA 0.700 5.020 4.320 -0.000 0.000 0.315 122 A C 1.005 178.623 177.584 0.057 0.000 1.434 122 A CA 0.956 53.019 52.037 0.044 0.000 1.108 122 A CB -0.224 18.763 19.000 -0.021 0.000 1.171 122 A HN 2.286 nan 8.150 nan 0.000 0.524 123 G N 1.081 110.044 108.800 0.272 0.000 2.821 123 G HA2 0.355 4.315 3.960 -0.000 0.000 0.289 123 G HA3 0.355 4.315 3.960 -0.000 0.000 0.289 123 G C 0.760 175.740 174.900 0.134 0.000 0.771 123 G CA 0.675 45.890 45.100 0.192 0.000 1.908 123 G HN 0.826 nan 8.290 nan 0.000 0.539 124 T N -1.530 113.000 114.554 -0.039 0.000 3.087 124 T HA 0.505 4.855 4.350 -0.000 0.000 0.283 124 T C 1.004 175.636 174.700 -0.113 0.000 0.956 124 T CA 0.676 62.710 62.100 -0.109 0.000 0.894 124 T CB 0.383 69.088 68.868 -0.272 0.000 1.160 124 T HN 1.810 nan 8.240 nan 0.000 0.532 125 G N 1.764 110.519 108.800 -0.075 0.000 2.705 125 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.686 125 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.686 125 G C 0.335 175.152 174.900 -0.139 0.000 1.285 125 G CA -0.211 44.838 45.100 -0.085 0.000 0.800 125 G HN 0.697 nan 8.290 nan 0.000 0.611 126 W N 0.706 121.791 121.300 -0.360 0.000 2.611 126 W HA -0.024 4.636 4.660 -0.000 0.000 0.251 126 W C 1.476 177.866 176.519 -0.215 0.000 1.265 126 W CA 1.830 58.831 57.345 -0.573 0.000 1.295 126 W CB -1.344 27.754 29.460 -0.604 0.000 1.129 126 W HN 1.043 nan 8.180 nan 0.000 0.630 127 T N -0.698 113.376 114.554 -0.800 0.000 3.113 127 T HA -0.001 4.349 4.350 -0.000 0.000 0.256 127 T C 1.314 175.599 174.700 -0.691 0.000 1.131 127 T CA 0.491 61.853 62.100 -1.230 0.000 1.074 127 T CB -0.690 67.492 68.868 -1.143 0.000 0.944 127 T HN 0.168 nan 8.240 nan 0.000 0.516 128 V N 1.996 121.698 119.914 -0.354 0.000 5.342 128 V HA -0.225 3.895 4.120 -0.000 0.000 0.236 128 V C -0.600 175.285 176.094 -0.348 0.000 0.696 128 V CA 0.258 62.422 62.300 -0.227 0.000 0.609 128 V CB -2.163 29.628 31.823 -0.054 0.000 0.315 128 V HN 0.569 nan 8.190 nan 0.000 0.632 129 Y N 3.417 123.394 120.300 -0.537 0.000 2.379 129 Y HA 0.560 5.110 4.550 -0.000 0.000 0.337 129 Y C -1.067 174.485 175.900 -0.581 0.000 1.238 129 Y CA -2.410 55.264 58.100 -0.711 0.000 1.405 129 Y CB 0.401 38.669 38.460 -0.319 0.000 1.310 129 Y HN 0.339 nan 8.280 nan 0.000 0.569 130 P HA 0.331 nan 4.420 nan 0.000 0.285 130 P C -2.455 174.798 177.300 -0.079 0.000 1.280 130 P CA -2.125 60.831 63.100 -0.239 0.000 0.862 130 P CB 2.191 33.734 31.700 -0.262 0.000 1.153 131 P HA -0.058 nan 4.420 nan 0.000 0.221 131 P C 1.690 179.009 177.300 0.032 0.000 1.150 131 P CA 0.411 63.526 63.100 0.025 0.000 0.800 131 P CB -0.127 31.601 31.700 0.048 0.000 0.787 132 L N 0.477 121.724 121.223 0.039 0.000 2.089 132 L HA -0.176 4.164 4.340 -0.000 0.000 0.213 132 L C 1.938 178.883 176.870 0.125 0.000 1.079 132 L CA 2.158 57.054 54.840 0.093 0.000 0.758 132 L CB -1.571 40.535 42.059 0.077 0.000 0.891 132 L HN -0.065 nan 8.230 nan 0.000 0.433 133 A N -1.069 121.733 122.820 -0.031 0.000 2.238 133 A HA 0.383 4.703 4.320 -0.000 0.000 0.208 133 A C 1.372 178.937 177.584 -0.033 0.000 1.177 133 A CA 0.414 52.384 52.037 -0.112 0.000 0.804 133 A CB -1.270 17.591 19.000 -0.231 0.000 0.823 133 A HN 0.484 nan 8.150 nan 0.000 0.482 134 G N -0.039 108.774 108.800 0.022 0.000 2.616 134 G HA2 0.272 4.232 3.960 -0.000 0.000 0.268 134 G HA3 0.272 4.232 3.960 -0.000 0.000 0.268 134 G C 0.558 175.499 174.900 0.069 0.000 1.213 134 G CA 0.089 45.216 45.100 0.044 0.000 0.926 134 G HN 0.472 nan 8.290 nan 0.000 0.523 135 N N -0.366 118.368 118.700 0.056 0.000 2.609 135 N HA -0.048 4.692 4.740 -0.000 0.000 0.190 135 N C 1.418 176.956 175.510 0.047 0.000 1.157 135 N CA 0.722 53.804 53.050 0.053 0.000 0.918 135 N CB 0.049 38.562 38.487 0.043 0.000 0.978 135 N HN 0.370 nan 8.380 nan 0.000 0.448 136 L N -0.452 120.799 121.223 0.045 0.000 2.379 136 L HA 0.352 4.692 4.340 -0.000 0.000 0.190 136 L C 2.308 179.192 176.870 0.022 0.000 1.111 136 L CA 0.743 55.601 54.840 0.030 0.000 0.820 136 L CB -0.596 41.480 42.059 0.028 0.000 1.046 136 L HN 0.144 nan 8.230 nan 0.000 0.485 137 A N -1.456 121.385 122.820 0.035 0.000 2.024 137 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 137 A C 0.789 178.352 177.584 -0.035 0.000 1.164 137 A CA 1.631 53.678 52.037 0.017 0.000 0.643 137 A CB -0.649 18.392 19.000 0.068 0.000 0.806 137 A HN 0.622 nan 8.150 nan 0.000 0.451 138 H N -1.680 117.394 119.070 0.006 0.000 2.716 138 H HA 0.523 5.079 4.556 -0.000 0.000 0.230 138 H C 0.128 175.461 175.328 0.009 0.000 1.401 138 H CA -0.090 55.963 56.048 0.008 0.000 1.168 138 H CB 0.325 30.088 29.762 0.001 0.000 1.935 138 H HN 0.468 nan 8.280 nan 0.000 0.538 139 A N 0.986 123.846 122.820 0.067 0.000 2.540 139 A HA 0.500 4.820 4.320 -0.000 0.000 0.239 139 A C 1.039 178.658 177.584 0.059 0.000 1.061 139 A CA 1.071 53.140 52.037 0.054 0.000 0.758 139 A CB -0.321 18.695 19.000 0.027 0.000 0.991 139 A HN 0.795 nan 8.150 nan 0.000 0.502 140 G N -0.379 108.455 108.800 0.058 0.000 2.440 140 G HA2 0.422 4.382 3.960 -0.000 0.000 0.684 140 G HA3 0.422 4.382 3.960 -0.000 0.000 0.684 140 G C 0.541 175.478 174.900 0.062 0.000 1.309 140 G CA 0.049 45.184 45.100 0.058 0.000 0.931 140 G HN 1.927 nan 8.290 nan 0.000 0.612 141 A N -0.091 122.766 122.820 0.061 0.000 2.178 141 A HA 0.263 4.583 4.320 -0.000 0.000 0.218 141 A C 2.587 180.209 177.584 0.064 0.000 1.157 141 A CA 2.634 54.711 52.037 0.066 0.000 0.689 141 A CB -0.559 18.484 19.000 0.071 0.000 0.787 141 A HN 1.440 nan 8.150 nan 0.000 0.465 142 S N -0.294 115.448 115.700 0.069 0.000 2.349 142 S HA -0.158 4.312 4.470 -0.000 0.000 0.216 142 S C 1.902 176.521 174.600 0.031 0.000 1.033 142 S CA 1.575 59.816 58.200 0.068 0.000 1.021 142 S CB -0.674 62.588 63.200 0.104 0.000 0.968 142 S HN 0.364 nan 8.310 nan 0.000 0.426 143 V N 2.877 122.794 119.914 0.004 0.000 2.380 143 V HA -0.216 3.904 4.120 -0.000 0.000 0.251 143 V C 2.074 178.108 176.094 -0.099 0.000 1.063 143 V CA 1.891 64.153 62.300 -0.064 0.000 1.055 143 V CB -0.832 30.931 31.823 -0.101 0.000 0.657 143 V HN 0.395 nan 8.190 nan 0.000 0.455 144 D N -0.065 120.278 120.400 -0.095 0.000 2.117 144 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 144 D C 2.158 178.324 176.300 -0.224 0.000 0.987 144 D CA 1.175 55.044 54.000 -0.218 0.000 0.829 144 D CB -0.195 40.531 40.800 -0.124 0.000 0.961 144 D HN 0.352 nan 8.370 nan 0.000 0.460 145 L N 0.478 121.696 121.223 -0.008 0.000 2.083 145 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 145 L C 2.528 179.421 176.870 0.039 0.000 1.083 145 L CA 0.995 55.896 54.840 0.101 0.000 0.752 145 L CB -0.450 41.670 42.059 0.102 0.000 0.899 145 L HN 0.027 nan 8.230 nan 0.000 0.433 146 T N 0.015 114.554 114.554 -0.025 0.000 2.788 146 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 146 T C 1.881 176.476 174.700 -0.176 0.000 1.044 146 T CA 1.170 63.232 62.100 -0.063 0.000 1.139 146 T CB -0.084 68.778 68.868 -0.010 0.000 0.867 146 T HN 0.190 nan 8.240 nan 0.000 0.454 147 I N 0.079 120.508 120.570 -0.236 0.000 2.252 147 I HA -0.107 4.063 4.170 -0.000 0.000 0.245 147 I C 1.841 177.789 176.117 -0.282 0.000 1.102 147 I CA 1.195 62.283 61.300 -0.355 0.000 1.385 147 I CB -0.297 37.430 38.000 -0.455 0.000 1.064 147 I HN 0.195 nan 8.210 nan 0.000 0.414 148 F N 0.450 120.378 119.950 -0.037 0.000 2.234 148 F HA -0.171 4.356 4.527 -0.000 0.000 0.299 148 F C 2.914 178.731 175.800 0.028 0.000 1.087 148 F CA 1.274 59.306 58.000 0.054 0.000 1.340 148 F CB -1.106 37.938 39.000 0.073 0.000 1.031 148 F HN 0.037 nan 8.300 nan 0.000 0.500 149 S N 0.190 115.981 115.700 0.152 0.000 2.356 149 S HA -0.162 4.308 4.470 -0.000 0.000 0.223 149 S C 2.147 176.762 174.600 0.024 0.000 1.032 149 S CA 1.018 59.288 58.200 0.116 0.000 1.005 149 S CB -0.466 62.789 63.200 0.092 0.000 0.867 149 S HN 0.163 nan 8.310 nan 0.000 0.449 150 L N 1.313 122.426 121.223 -0.183 0.000 2.083 150 L HA 0.007 4.347 4.340 -0.000 0.000 0.209 150 L C 2.248 179.028 176.870 -0.151 0.000 1.083 150 L CA 1.894 56.529 54.840 -0.341 0.000 0.752 150 L CB -1.337 40.417 42.059 -0.509 0.000 0.899 150 L HN 0.510 nan 8.230 nan 0.000 0.433 151 H N -1.665 117.387 119.070 -0.030 0.000 2.321 151 H HA -0.116 4.440 4.556 -0.000 0.000 0.300 151 H C 2.222 177.569 175.328 0.032 0.000 1.087 151 H CA 1.271 57.330 56.048 0.018 0.000 1.319 151 H CB 0.112 29.944 29.762 0.116 0.000 1.379 151 H HN 0.182 nan 8.280 nan 0.000 0.501 152 L N -0.035 121.310 121.223 0.204 0.000 1.970 152 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 152 L C 2.862 179.803 176.870 0.118 0.000 1.071 152 L CA 0.998 55.919 54.840 0.135 0.000 0.751 152 L CB -0.699 41.436 42.059 0.127 0.000 0.889 152 L HN 0.349 nan 8.230 nan 0.000 0.432 153 A N 0.235 123.132 122.820 0.128 0.000 2.032 153 A HA -0.155 4.165 4.320 -0.000 0.000 0.221 153 A C 2.319 179.983 177.584 0.133 0.000 1.165 153 A CA 1.861 53.984 52.037 0.143 0.000 0.645 153 A CB -1.065 18.008 19.000 0.122 0.000 0.807 153 A HN 0.518 nan 8.150 nan 0.000 0.453 154 G N -0.827 108.031 108.800 0.096 0.000 2.395 154 G HA2 0.008 3.968 3.960 -0.000 0.000 0.214 154 G HA3 0.008 3.968 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 0.952 46.102 45.100 0.083 0.000 0.794 154 G HN 0.281 nan 8.290 nan 0.000 0.532 155 V N 1.557 121.519 119.914 0.079 0.000 2.282 155 V HA -0.254 3.866 4.120 -0.000 0.000 0.249 155 V C 3.145 179.279 176.094 0.067 0.000 1.057 155 V CA 2.466 64.802 62.300 0.059 0.000 1.032 155 V CB -0.799 31.052 31.823 0.046 0.000 0.645 155 V HN 0.552 nan 8.190 nan 0.000 0.447 156 S N 0.392 116.139 115.700 0.078 0.000 2.369 156 S HA -0.284 4.186 4.470 -0.000 0.000 0.225 156 S C 2.090 176.758 174.600 0.112 0.000 1.043 156 S CA 2.546 60.801 58.200 0.092 0.000 1.074 156 S CB -0.580 62.673 63.200 0.087 0.000 0.962 156 S HN 0.629 nan 8.310 nan 0.000 0.433 157 S N 1.677 117.442 115.700 0.108 0.000 2.423 157 S HA 0.033 4.503 4.470 -0.000 0.000 0.231 157 S C 1.877 176.538 174.600 0.101 0.000 1.014 157 S CA 1.181 59.443 58.200 0.103 0.000 0.965 157 S CB -0.647 62.600 63.200 0.079 0.000 0.785 157 S HN 0.787 nan 8.310 nan 0.000 0.495 158 I N -0.302 120.321 120.570 0.088 0.000 2.500 158 I HA -0.025 4.145 4.170 -0.000 0.000 0.252 158 I C 1.854 178.023 176.117 0.086 0.000 1.142 158 I CA 0.917 62.267 61.300 0.082 0.000 1.451 158 I CB -0.110 37.928 38.000 0.064 0.000 1.093 158 I HN 0.084 nan 8.210 nan 0.000 0.430 159 L N 1.957 123.227 121.223 0.079 0.000 2.083 159 L HA -0.017 4.323 4.340 -0.000 0.000 0.209 159 L C 2.546 179.487 176.870 0.120 0.000 1.083 159 L CA 2.148 57.032 54.840 0.072 0.000 0.752 159 L CB -1.571 40.525 42.059 0.062 0.000 0.899 159 L HN 0.418 nan 8.230 nan 0.000 0.433 160 G N -1.673 107.221 108.800 0.157 0.000 2.394 160 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.215 160 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.215 160 G C 1.663 176.758 174.900 0.326 0.000 1.165 160 G CA 0.664 45.903 45.100 0.232 0.000 0.784 160 G HN 0.503 nan 8.290 nan 0.000 0.535 161 A N 0.756 123.719 122.820 0.239 0.000 1.978 161 A HA 0.027 4.347 4.320 -0.000 0.000 0.220 161 A C 2.357 180.067 177.584 0.211 0.000 1.170 161 A CA 1.192 53.361 52.037 0.220 0.000 0.636 161 A CB -0.331 18.743 19.000 0.123 0.000 0.810 161 A HN 0.405 nan 8.150 nan 0.000 0.448 162 I N -0.438 120.236 120.570 0.174 0.000 2.315 162 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 162 I C 2.420 178.696 176.117 0.265 0.000 1.117 162 I CA 1.241 62.646 61.300 0.174 0.000 1.404 162 I CB -0.417 37.644 38.000 0.103 0.000 1.071 162 I HN 0.327 nan 8.210 nan 0.000 0.419 163 N N 1.090 119.943 118.700 0.255 0.000 2.106 163 N HA -0.155 4.585 4.740 -0.000 0.000 0.188 163 N C 1.825 177.294 175.510 -0.069 0.000 1.029 163 N CA 1.633 54.767 53.050 0.141 0.000 0.848 163 N CB -0.224 38.274 38.487 0.019 0.000 1.007 163 N HN 0.145 nan 8.380 nan 0.000 0.423 164 F N 1.139 121.092 119.950 0.005 0.000 2.146 164 F HA 0.019 4.546 4.527 -0.000 0.000 0.298 164 F C 2.297 178.058 175.800 -0.065 0.000 1.096 164 F CA 0.762 58.732 58.000 -0.051 0.000 1.275 164 F CB -0.338 38.631 39.000 -0.053 0.000 1.008 164 F HN 0.022 nan 8.300 nan 0.000 0.480 165 I N -0.834 119.839 120.570 0.171 0.000 2.163 165 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 165 I C 2.280 178.406 176.117 0.015 0.000 1.081 165 I CA 1.656 63.001 61.300 0.075 0.000 1.353 165 I CB -1.010 37.039 38.000 0.081 0.000 1.054 165 I HN 0.097 nan 8.210 nan 0.000 0.407 166 T N 0.287 114.857 114.554 0.027 0.000 2.652 166 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 166 T C 1.909 176.519 174.700 -0.151 0.000 1.039 166 T CA 2.210 64.284 62.100 -0.044 0.000 1.153 166 T CB -0.543 68.298 68.868 -0.045 0.000 0.863 166 T HN 0.371 nan 8.240 nan 0.000 0.428 167 T N 2.268 116.699 114.554 -0.204 0.000 2.622 167 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 167 T C 2.006 176.603 174.700 -0.172 0.000 1.047 167 T CA 1.284 63.245 62.100 -0.231 0.000 1.159 167 T CB -0.591 68.122 68.868 -0.258 0.000 0.863 167 T HN 0.299 nan 8.240 nan 0.000 0.422 168 I N 0.147 120.642 120.570 -0.124 0.000 2.335 168 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 168 I C 2.175 178.186 176.117 -0.177 0.000 1.129 168 I CA 1.316 62.532 61.300 -0.139 0.000 1.402 168 I CB -0.262 37.673 38.000 -0.108 0.000 1.069 168 I HN 0.243 nan 8.210 nan 0.000 0.424 169 I N -0.078 120.404 120.570 -0.146 0.000 2.731 169 I HA -0.148 4.022 4.170 -0.000 0.000 0.260 169 I C 1.765 177.804 176.117 -0.130 0.000 1.138 169 I CA 0.900 62.113 61.300 -0.145 0.000 1.461 169 I CB 0.039 37.979 38.000 -0.100 0.000 1.128 169 I HN 0.198 nan 8.210 nan 0.000 0.438 170 N N -0.077 118.547 118.700 -0.127 0.000 2.205 170 N HA 0.159 4.899 4.740 -0.000 0.000 0.201 170 N C 0.905 176.333 175.510 -0.136 0.000 1.128 170 N CA 0.294 53.273 53.050 -0.119 0.000 0.867 170 N CB 0.390 38.813 38.487 -0.107 0.000 0.996 170 N HN 0.113 nan 8.380 nan 0.000 0.503 171 M N -0.256 119.250 119.600 -0.158 0.000 2.596 171 M HA 0.234 4.714 4.480 -0.000 0.000 0.364 171 M C -0.358 175.840 176.300 -0.169 0.000 1.158 171 M CA -0.254 54.947 55.300 -0.164 0.000 0.940 171 M CB 0.807 33.293 32.600 -0.191 0.000 1.388 171 M HN -0.123 nan 8.290 nan 0.000 0.522 172 K N 1.140 121.444 120.400 -0.159 0.000 2.102 172 K HA 0.401 4.721 4.320 -0.000 0.000 0.244 172 K C -2.406 174.111 176.600 -0.138 0.000 1.021 172 K CA -1.582 54.609 56.287 -0.160 0.000 0.913 172 K CB 0.092 32.499 32.500 -0.155 0.000 1.062 172 K HN -0.160 nan 8.250 nan 0.000 0.485 173 P HA 0.048 nan 4.420 nan 0.000 0.267 173 P C -2.154 175.087 177.300 -0.099 0.000 1.205 173 P CA -0.957 62.075 63.100 -0.113 0.000 0.765 173 P CB 0.372 32.007 31.700 -0.110 0.000 0.828 174 P HA -0.245 nan 4.420 nan 0.000 0.218 174 P C 0.765 178.021 177.300 -0.074 0.000 1.147 174 P CA 1.770 64.825 63.100 -0.076 0.000 0.827 174 P CB -0.094 31.565 31.700 -0.067 0.000 0.778 175 A N -2.495 120.273 122.820 -0.086 0.000 2.348 175 A HA 0.242 4.562 4.320 -0.000 0.000 0.224 175 A C 0.913 178.460 177.584 -0.062 0.000 1.227 175 A CA -0.178 51.814 52.037 -0.076 0.000 0.885 175 A CB -0.700 18.240 19.000 -0.100 0.000 0.933 175 A HN 0.155 nan 8.150 nan 0.000 0.506 176 M N 2.150 121.708 119.600 -0.068 0.000 2.088 176 M HA 0.352 4.832 4.480 -0.000 0.000 0.346 176 M C 0.254 176.517 176.300 -0.062 0.000 1.111 176 M CA -0.353 54.911 55.300 -0.059 0.000 1.017 176 M CB 0.946 33.502 32.600 -0.073 0.000 1.568 176 M HN 0.354 nan 8.290 nan 0.000 0.445 177 S N 3.029 118.711 115.700 -0.031 0.000 2.624 177 S HA 0.155 4.625 4.470 -0.000 0.000 0.263 177 S C 0.629 175.159 174.600 -0.117 0.000 1.287 177 S CA -0.506 57.669 58.200 -0.042 0.000 0.990 177 S CB 1.359 64.599 63.200 0.067 0.000 0.950 177 S HN 0.849 nan 8.310 nan 0.000 0.561 178 Q N -0.249 119.385 119.800 -0.277 0.000 2.226 178 Q HA -0.014 4.326 4.340 -0.000 0.000 0.204 178 Q C 0.557 176.431 176.000 -0.210 0.000 0.975 178 Q CA 1.562 57.090 55.803 -0.458 0.000 0.866 178 Q CB -0.514 27.816 28.738 -0.680 0.000 0.915 178 Q HN 0.859 nan 8.270 nan 0.000 0.440 179 Y N -0.369 120.107 120.300 0.294 0.000 2.488 179 Y HA 0.075 4.625 4.550 -0.000 0.000 0.319 179 Y C 0.934 176.982 175.900 0.246 0.000 1.212 179 Y CA 0.421 58.797 58.100 0.460 0.000 1.273 179 Y CB 0.019 38.683 38.460 0.340 0.000 1.074 179 Y HN 0.174 nan 8.280 nan 0.000 0.503 180 Q N -0.896 119.026 119.800 0.203 0.000 2.140 180 Q HA 0.108 4.448 4.340 -0.000 0.000 0.227 180 Q C 0.282 176.330 176.000 0.080 0.000 0.798 180 Q CA -0.098 55.745 55.803 0.066 0.000 0.987 180 Q CB 0.891 29.642 28.738 0.021 0.000 1.161 180 Q HN 0.289 nan 8.270 nan 0.000 0.480 181 T N -1.007 113.615 114.554 0.113 0.000 2.909 181 T HA 0.470 4.820 4.350 -0.000 0.000 0.289 181 T C -2.588 172.307 174.700 0.325 0.000 1.005 181 T CA -2.039 60.106 62.100 0.074 0.000 1.084 181 T CB 1.251 70.013 68.868 -0.177 0.000 0.975 181 T HN -0.215 nan 8.240 nan 0.000 0.509 182 P HA 0.148 nan 4.420 nan 0.000 0.266 182 P C 1.128 178.819 177.300 0.650 0.000 1.195 182 P CA -0.363 63.045 63.100 0.513 0.000 0.768 182 P CB 0.402 32.434 31.700 0.554 0.000 0.838 183 L N 1.743 123.386 121.223 0.700 0.000 2.051 183 L HA -0.243 4.097 4.340 -0.000 0.000 0.214 183 L C 2.159 179.368 176.870 0.565 0.000 1.076 183 L CA 1.581 56.776 54.840 0.591 0.000 0.758 183 L CB -0.733 41.587 42.059 0.435 0.000 0.890 183 L HN 0.384 nan 8.230 nan 0.000 0.433 184 F N 0.505 120.735 119.950 0.468 0.000 2.120 184 F HA -0.226 4.301 4.527 -0.000 0.000 0.300 184 F C 2.235 178.113 175.800 0.130 0.000 1.095 184 F CA 1.697 59.767 58.000 0.117 0.000 1.249 184 F CB -0.366 38.461 39.000 -0.289 0.000 0.995 184 F HN -0.225 nan 8.300 nan 0.000 0.480 185 V N -1.108 118.872 119.914 0.109 0.000 2.295 185 V HA -0.327 3.793 4.120 -0.000 0.000 0.246 185 V C 2.162 178.233 176.094 -0.037 0.000 1.049 185 V CA 2.019 64.281 62.300 -0.063 0.000 1.024 185 V CB -1.246 30.581 31.823 0.006 0.000 0.648 185 V HN 0.492 nan 8.190 nan 0.000 0.447 186 W N 0.917 122.212 121.300 -0.009 0.000 2.338 186 W HA -0.247 4.413 4.660 -0.000 0.000 0.304 186 W C 3.085 179.558 176.519 -0.078 0.000 1.212 186 W CA 1.983 59.312 57.345 -0.025 0.000 1.264 186 W CB -0.433 29.032 29.460 0.009 0.000 1.142 186 W HN 0.362 nan 8.180 nan 0.000 0.512 187 S N -0.107 115.696 115.700 0.172 0.000 2.359 187 S HA -0.245 4.225 4.470 -0.000 0.000 0.224 187 S C 1.888 176.399 174.600 -0.149 0.000 1.035 187 S CA 1.673 59.891 58.200 0.029 0.000 1.018 187 S CB -1.141 62.091 63.200 0.053 0.000 0.876 187 S HN 0.145 nan 8.310 nan 0.000 0.448 188 V N 1.149 120.829 119.914 -0.389 0.000 2.667 188 V HA 0.048 4.168 4.120 -0.000 0.000 0.252 188 V C 2.315 178.237 176.094 -0.285 0.000 1.065 188 V CA 1.957 63.971 62.300 -0.477 0.000 1.083 188 V CB -0.490 30.875 31.823 -0.764 0.000 0.692 188 V HN 0.685 nan 8.190 nan 0.000 0.468 189 M N -0.789 118.733 119.600 -0.129 0.000 2.200 189 M HA -0.066 4.414 4.480 -0.000 0.000 0.265 189 M C 1.977 178.294 176.300 0.029 0.000 1.066 189 M CA 1.950 57.228 55.300 -0.038 0.000 1.127 189 M CB -0.185 32.394 32.600 -0.035 0.000 1.379 189 M HN 0.387 nan 8.290 nan 0.000 0.420 190 I N -0.307 120.311 120.570 0.081 0.000 2.202 190 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 190 I C 2.175 178.318 176.117 0.043 0.000 1.091 190 I CA 1.345 62.704 61.300 0.097 0.000 1.368 190 I CB -0.503 37.567 38.000 0.116 0.000 1.058 190 I HN 0.240 nan 8.210 nan 0.000 0.410 191 T N 0.666 115.206 114.554 -0.023 0.000 2.720 191 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 191 T C 2.053 176.723 174.700 -0.049 0.000 1.037 191 T CA 1.535 63.600 62.100 -0.059 0.000 1.144 191 T CB -0.385 68.397 68.868 -0.143 0.000 0.864 191 T HN 0.476 nan 8.240 nan 0.000 0.444 192 A N 0.853 123.625 122.820 -0.080 0.000 1.908 192 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 192 A C 2.593 180.206 177.584 0.047 0.000 1.181 192 A CA 1.526 53.547 52.037 -0.028 0.000 0.627 192 A CB -1.076 17.920 19.000 -0.007 0.000 0.818 192 A HN 0.362 nan 8.150 nan 0.000 0.445 193 V N -0.333 119.620 119.914 0.064 0.000 2.295 193 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 193 V C 2.513 178.693 176.094 0.144 0.000 1.049 193 V CA 1.920 64.277 62.300 0.094 0.000 1.024 193 V CB -0.752 31.128 31.823 0.095 0.000 0.648 193 V HN 0.490 nan 8.190 nan 0.000 0.447 194 L N -0.759 120.572 121.223 0.180 0.000 2.042 194 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 194 L C 2.222 179.232 176.870 0.234 0.000 1.076 194 L CA 1.843 56.857 54.840 0.290 0.000 0.749 194 L CB -0.936 41.211 42.059 0.146 0.000 0.893 194 L HN 0.253 nan 8.230 nan 0.000 0.432 195 L N -1.869 119.431 121.223 0.128 0.000 2.027 195 L HA -0.213 4.127 4.340 -0.000 0.000 0.206 195 L C 2.454 179.412 176.870 0.146 0.000 1.074 195 L CA 0.649 55.563 54.840 0.123 0.000 0.745 195 L CB -0.611 41.489 42.059 0.069 0.000 0.898 195 L HN 0.210 nan 8.230 nan 0.000 0.433 196 L N -0.329 120.969 121.223 0.125 0.000 2.129 196 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 196 L C 2.190 179.130 176.870 0.117 0.000 1.087 196 L CA 1.795 56.699 54.840 0.106 0.000 0.757 196 L CB -0.172 41.938 42.059 0.086 0.000 0.896 196 L HN 0.158 nan 8.230 nan 0.000 0.434 197 L N -2.115 119.206 121.223 0.164 0.000 2.221 197 L HA -0.001 4.339 4.340 -0.000 0.000 0.202 197 L C 2.574 179.629 176.870 0.308 0.000 1.074 197 L CA 0.906 55.848 54.840 0.171 0.000 0.795 197 L CB -0.743 41.322 42.059 0.010 0.000 0.960 197 L HN 0.370 nan 8.230 nan 0.000 0.458 198 S N 0.302 116.247 115.700 0.407 0.000 2.348 198 S HA -0.122 4.348 4.470 -0.000 0.000 0.219 198 S C 1.997 176.780 174.600 0.305 0.000 1.033 198 S CA 0.500 58.931 58.200 0.386 0.000 0.974 198 S CB -0.668 62.688 63.200 0.260 0.000 0.868 198 S HN 0.112 nan 8.310 nan 0.000 0.459 199 L N 2.984 124.346 121.223 0.232 0.000 2.051 199 L HA 0.006 4.346 4.340 -0.000 0.000 0.214 199 L C -0.716 176.142 176.870 -0.020 0.000 1.076 199 L CA 1.827 56.684 54.840 0.029 0.000 0.758 199 L CB -1.765 40.327 42.059 0.055 0.000 0.890 199 L HN 0.270 nan 8.230 nan 0.000 0.433 200 P HA -0.131 nan 4.420 nan 0.000 0.215 200 P C 2.038 179.340 177.300 0.003 0.000 1.153 200 P CA 1.168 64.283 63.100 0.026 0.000 0.853 200 P CB 0.038 31.766 31.700 0.046 0.000 0.788 201 V N -0.470 119.471 119.914 0.044 0.000 2.343 201 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 201 V C 2.396 178.445 176.094 -0.075 0.000 1.051 201 V CA 1.596 63.906 62.300 0.017 0.000 1.036 201 V CB -1.307 30.598 31.823 0.137 0.000 0.654 201 V HN 0.063 nan 8.190 nan 0.000 0.451 202 L N 1.230 122.347 121.223 -0.176 0.000 2.017 202 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 202 L C 2.477 179.208 176.870 -0.232 0.000 1.073 202 L CA 2.402 57.020 54.840 -0.369 0.000 0.745 202 L CB -0.946 40.556 42.059 -0.928 0.000 0.894 202 L HN 0.204 nan 8.230 nan 0.000 0.432 203 A N -0.532 122.195 122.820 -0.154 0.000 1.978 203 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 203 A C 2.400 180.014 177.584 0.049 0.000 1.170 203 A CA 1.846 53.882 52.037 -0.002 0.000 0.636 203 A CB -1.087 17.968 19.000 0.092 0.000 0.810 203 A HN 0.626 nan 8.150 nan 0.000 0.448 204 A N -0.741 122.067 122.820 -0.020 0.000 1.970 204 A HA 0.271 4.591 4.320 -0.000 0.000 0.216 204 A C 2.329 179.885 177.584 -0.047 0.000 1.170 204 A CA 1.555 53.569 52.037 -0.038 0.000 0.645 204 A CB -1.121 17.840 19.000 -0.065 0.000 0.816 204 A HN 0.628 nan 8.150 nan 0.000 0.447 205 G N 1.123 109.892 108.800 -0.052 0.000 2.434 205 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.214 205 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.214 205 G C 1.528 176.491 174.900 0.106 0.000 1.202 205 G CA 1.238 46.332 45.100 -0.010 0.000 0.788 205 G HN 0.803 nan 8.290 nan 0.000 0.539 206 I N -1.600 118.983 120.570 0.022 0.000 2.614 206 I HA -0.001 4.169 4.170 -0.000 0.000 0.258 206 I C 2.327 178.449 176.117 0.009 0.000 1.189 206 I CA 1.590 62.898 61.300 0.014 0.000 1.462 206 I CB -0.630 37.267 38.000 -0.171 0.000 1.092 206 I HN -0.047 nan 8.210 nan 0.000 0.442 207 T N 1.231 115.822 114.554 0.062 0.000 2.904 207 T HA 0.011 4.361 4.350 -0.000 0.000 0.267 207 T C 1.860 176.576 174.700 0.027 0.000 1.059 207 T CA 1.581 63.751 62.100 0.116 0.000 1.137 207 T CB -0.153 68.793 68.868 0.131 0.000 0.879 207 T HN 0.331 nan 8.240 nan 0.000 0.467 208 M N 0.257 119.836 119.600 -0.035 0.000 2.099 208 M HA 0.019 4.499 4.480 -0.000 0.000 0.262 208 M C 2.182 178.559 176.300 0.129 0.000 1.067 208 M CA 1.210 56.385 55.300 -0.208 0.000 1.124 208 M CB -0.357 31.941 32.600 -0.503 0.000 1.353 208 M HN 0.168 nan 8.290 nan 0.000 0.410 209 L N 0.484 121.953 121.223 0.410 0.000 2.079 209 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 209 L C 2.127 179.087 176.870 0.150 0.000 1.081 209 L CA 1.543 56.621 54.840 0.397 0.000 0.752 209 L CB -0.613 41.581 42.059 0.224 0.000 0.896 209 L HN 0.243 nan 8.230 nan 0.000 0.433 210 L N -0.748 120.516 121.223 0.069 0.000 2.017 210 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 210 L C 2.620 179.525 176.870 0.059 0.000 1.073 210 L CA 2.482 57.324 54.840 0.005 0.000 0.745 210 L CB -1.061 40.977 42.059 -0.036 0.000 0.894 210 L HN 0.586 nan 8.230 nan 0.000 0.432 211 T N -4.224 110.387 114.554 0.096 0.000 2.833 211 T HA -0.176 4.174 4.350 -0.000 0.000 0.269 211 T C 1.631 176.407 174.700 0.126 0.000 1.054 211 T CA 1.349 63.523 62.100 0.124 0.000 1.135 211 T CB -0.712 68.264 68.868 0.180 0.000 0.869 211 T HN 0.309 nan 8.240 nan 0.000 0.466 212 D N 2.186 122.678 120.400 0.152 0.000 2.219 212 D HA -0.028 4.612 4.640 -0.000 0.000 0.205 212 D C 2.065 178.416 176.300 0.085 0.000 0.970 212 D CA 0.842 54.917 54.000 0.125 0.000 0.851 212 D CB -0.100 40.805 40.800 0.174 0.000 0.943 212 D HN 0.704 nan 8.370 nan 0.000 0.488 213 R N -0.709 119.835 120.500 0.074 0.000 2.468 213 R HA 0.358 4.698 4.340 -0.000 0.000 0.280 213 R C 0.682 177.009 176.300 0.044 0.000 0.963 213 R CA -0.051 56.080 56.100 0.051 0.000 1.083 213 R CB 0.389 30.710 30.300 0.036 0.000 1.200 213 R HN -0.060 nan 8.270 nan 0.000 0.541 214 N N -0.424 118.306 118.700 0.051 0.000 1.983 214 N HA 0.071 4.811 4.740 -0.000 0.000 0.234 214 N C -0.157 175.384 175.510 0.052 0.000 1.339 214 N CA 0.118 53.199 53.050 0.052 0.000 0.826 214 N CB 0.798 39.323 38.487 0.062 0.000 1.156 214 N HN 0.039 nan 8.380 nan 0.000 0.468 215 L N 1.834 123.090 121.223 0.055 0.000 3.168 215 L HA 0.372 4.712 4.340 -0.000 0.000 0.277 215 L C -0.075 176.813 176.870 0.030 0.000 1.245 215 L CA 0.099 54.967 54.840 0.048 0.000 1.035 215 L CB -0.457 41.640 42.059 0.063 0.000 1.399 215 L HN -0.019 nan 8.230 nan 0.000 0.580 216 N N -0.138 118.576 118.700 0.022 0.000 2.721 216 N HA -0.171 4.569 4.740 -0.000 0.000 0.249 216 N C 0.333 175.821 175.510 -0.036 0.000 1.072 216 N CA 1.326 54.375 53.050 -0.002 0.000 0.710 216 N CB -1.481 37.002 38.487 -0.006 0.000 0.993 216 N HN 0.555 nan 8.380 nan 0.000 0.547 217 T N -3.301 111.231 114.554 -0.037 0.000 2.902 217 T HA 0.605 4.955 4.350 -0.000 0.000 0.280 217 T C 1.107 175.694 174.700 -0.190 0.000 0.992 217 T CA -0.165 61.840 62.100 -0.159 0.000 1.015 217 T CB 2.007 70.804 68.868 -0.119 0.000 1.044 217 T HN 0.235 nan 8.240 nan 0.000 0.520 218 T N -1.029 113.312 114.554 -0.356 0.000 3.483 218 T HA 0.329 4.679 4.350 -0.000 0.000 0.258 218 T C 0.568 175.073 174.700 -0.325 0.000 1.013 218 T CA -0.709 61.249 62.100 -0.237 0.000 1.078 218 T CB -0.945 67.830 68.868 -0.155 0.000 1.111 218 T HN 0.414 nan 8.240 nan 0.000 0.538 219 F N 1.214 120.960 119.950 -0.341 0.000 2.091 219 F HA 0.064 4.591 4.527 -0.000 0.000 0.299 219 F C 1.167 176.664 175.800 -0.504 0.000 1.103 219 F CA 1.365 59.014 58.000 -0.585 0.000 1.228 219 F CB -0.430 37.907 39.000 -1.106 0.000 0.984 219 F HN 0.421 nan 8.300 nan 0.000 0.477 220 F N -1.406 118.663 119.950 0.200 0.000 2.791 220 F HA 0.273 4.800 4.527 -0.000 0.000 0.308 220 F C -0.202 175.634 175.800 0.060 0.000 1.138 220 F CA -0.963 57.108 58.000 0.120 0.000 1.294 220 F CB -0.250 38.814 39.000 0.107 0.000 0.975 220 F HN -0.258 nan 8.300 nan 0.000 0.512 221 D N 1.301 121.775 120.400 0.124 0.000 2.425 221 D HA 0.305 4.945 4.640 -0.000 0.000 0.240 221 D C -2.065 174.261 176.300 0.044 0.000 1.080 221 D CA -2.576 51.470 54.000 0.076 0.000 0.836 221 D CB 2.385 43.207 40.800 0.037 0.000 1.125 221 D HN -0.133 nan 8.370 nan 0.000 0.525 222 P HA -0.135 nan 4.420 nan 0.000 0.217 222 P C 1.107 178.418 177.300 0.018 0.000 1.148 222 P CA 1.495 64.619 63.100 0.039 0.000 0.828 222 P CB 0.238 31.965 31.700 0.046 0.000 0.783 223 A N -0.017 122.812 122.820 0.015 0.000 1.915 223 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 223 A C 2.392 179.968 177.584 -0.012 0.000 1.198 223 A CA 2.402 54.441 52.037 0.003 0.000 0.647 223 A CB -1.891 17.111 19.000 0.004 0.000 0.825 223 A HN 0.339 nan 8.150 nan 0.000 0.456 224 G N -3.061 105.722 108.800 -0.028 0.000 2.939 224 G HA2 0.395 4.355 3.960 -0.000 0.000 0.210 224 G HA3 0.395 4.355 3.960 -0.000 0.000 0.210 224 G C 1.046 175.915 174.900 -0.052 0.000 1.160 224 G CA 0.697 45.765 45.100 -0.053 0.000 0.770 224 G HN 1.774 nan 8.290 nan 0.000 0.543 225 G N -1.300 107.484 108.800 -0.027 0.000 2.168 225 G HA2 0.050 4.010 3.960 -0.000 0.000 0.197 225 G HA3 0.050 4.010 3.960 -0.000 0.000 0.197 225 G C 0.729 175.625 174.900 -0.006 0.000 0.997 225 G CA 0.096 45.187 45.100 -0.016 0.000 0.658 225 G HN 0.908 nan 8.290 nan 0.000 0.513 226 G N -0.672 108.123 108.800 -0.008 0.000 2.651 226 G HA2 0.456 4.416 3.960 -0.000 0.000 0.260 226 G HA3 0.456 4.416 3.960 -0.000 0.000 0.260 226 G C -0.769 174.191 174.900 0.099 0.000 1.216 226 G CA 0.531 45.646 45.100 0.026 0.000 0.913 226 G HN 0.286 nan 8.290 nan 0.000 0.535 227 D N -0.640 119.869 120.400 0.182 0.000 2.575 227 D HA 0.354 4.994 4.640 -0.000 0.000 0.250 227 D C -1.936 174.531 176.300 0.278 0.000 1.279 227 D CA -1.828 52.293 54.000 0.201 0.000 0.925 227 D CB 2.258 43.170 40.800 0.188 0.000 1.261 227 D HN -0.074 nan 8.370 nan 0.000 0.567 228 P HA -0.030 nan 4.420 nan 0.000 0.225 228 P C 1.508 178.827 177.300 0.031 0.000 1.148 228 P CA 0.355 63.527 63.100 0.120 0.000 0.779 228 P CB 0.468 32.213 31.700 0.076 0.000 0.780 229 I N -1.232 119.373 120.570 0.059 0.000 2.333 229 I HA -0.116 4.054 4.170 -0.000 0.000 0.246 229 I C 2.150 178.267 176.117 -0.001 0.000 1.106 229 I CA 0.866 62.154 61.300 -0.019 0.000 1.411 229 I CB -1.621 36.384 38.000 0.010 0.000 1.082 229 I HN -0.012 nan 8.210 nan 0.000 0.420 230 L N 0.803 122.134 121.223 0.181 0.000 2.051 230 L HA -0.302 4.038 4.340 -0.000 0.000 0.214 230 L C 2.622 179.593 176.870 0.168 0.000 1.076 230 L CA 1.981 56.991 54.840 0.283 0.000 0.758 230 L CB -1.174 41.128 42.059 0.405 0.000 0.890 230 L HN 0.295 nan 8.230 nan 0.000 0.433 231 Y N 0.132 120.329 120.300 -0.171 0.000 2.128 231 Y HA -0.309 4.241 4.550 -0.000 0.000 0.284 231 Y C 2.592 178.247 175.900 -0.408 0.000 1.154 231 Y CA 2.253 59.987 58.100 -0.609 0.000 1.149 231 Y CB -0.382 37.301 38.460 -1.294 0.000 0.976 231 Y HN 0.378 nan 8.280 nan 0.000 0.505 232 Q N -0.867 118.701 119.800 -0.386 0.000 2.152 232 Q HA -0.276 4.064 4.340 -0.000 0.000 0.206 232 Q C 2.054 177.999 176.000 -0.091 0.000 0.985 232 Q CA 1.701 57.257 55.803 -0.412 0.000 0.863 232 Q CB -0.362 28.160 28.738 -0.361 0.000 0.904 232 Q HN 0.628 nan 8.270 nan 0.000 0.422 233 H N 0.557 119.648 119.070 0.036 0.000 2.256 233 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 233 H C 2.314 177.581 175.328 -0.102 0.000 1.071 233 H CA 1.294 57.414 56.048 0.120 0.000 1.280 233 H CB -0.557 29.283 29.762 0.131 0.000 1.370 233 H HN 0.194 nan 8.280 nan 0.000 0.490 234 L N -0.376 120.819 121.223 -0.048 0.000 2.010 234 L HA -0.266 4.074 4.340 -0.000 0.000 0.219 234 L C 2.612 179.368 176.870 -0.189 0.000 1.077 234 L CA 1.758 56.499 54.840 -0.166 0.000 0.773 234 L CB -0.730 41.219 42.059 -0.184 0.000 0.892 234 L HN 0.129 nan 8.230 nan 0.000 0.436 235 F N -0.341 119.266 119.950 -0.571 0.000 2.051 235 F HA -0.249 4.278 4.527 -0.000 0.000 0.296 235 F C 2.188 177.726 175.800 -0.437 0.000 1.122 235 F CA 1.615 59.240 58.000 -0.624 0.000 1.201 235 F CB -0.527 37.848 39.000 -1.043 0.000 0.978 235 F HN -0.040 nan 8.300 nan 0.000 0.472 236 W N -0.964 120.404 121.300 0.114 0.000 2.364 236 W HA -0.212 4.448 4.660 -0.000 0.000 0.281 236 W C 2.281 178.805 176.519 0.007 0.000 1.219 236 W CA 0.758 58.133 57.345 0.051 0.000 1.220 236 W CB -0.708 28.873 29.460 0.201 0.000 1.127 236 W HN 0.101 nan 8.180 nan 0.000 0.556 237 F N -0.207 119.688 119.950 -0.091 0.000 2.216 237 F HA -0.220 4.307 4.527 -0.000 0.000 0.300 237 F C 2.102 177.850 175.800 -0.087 0.000 1.085 237 F CA 1.662 59.523 58.000 -0.231 0.000 1.326 237 F CB -0.618 38.128 39.000 -0.423 0.000 1.027 237 F HN -0.021 nan 8.300 nan 0.000 0.497 238 F N -0.121 119.726 119.950 -0.172 0.000 2.374 238 F HA 0.263 4.790 4.527 -0.000 0.000 0.291 238 F C 2.221 177.811 175.800 -0.350 0.000 1.084 238 F CA 1.142 58.973 58.000 -0.281 0.000 1.413 238 F CB -1.134 37.675 39.000 -0.320 0.000 1.099 238 F HN -0.130 nan 8.300 nan 0.000 0.534 239 G N -0.312 107.970 108.800 -0.863 0.000 2.469 239 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.220 239 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.220 239 G C 1.466 176.163 174.900 -0.338 0.000 1.136 239 G CA 1.454 46.064 45.100 -0.817 0.000 0.759 239 G HN 0.562 nan 8.290 nan 0.000 0.562 240 H N 1.597 120.616 119.070 -0.085 0.000 2.307 240 H HA 0.043 4.599 4.556 -0.000 0.000 0.303 240 H C 0.182 175.459 175.328 -0.085 0.000 1.073 240 H CA 1.289 57.357 56.048 0.033 0.000 1.338 240 H CB -0.584 29.296 29.762 0.198 0.000 1.389 240 H HN 0.263 nan 8.280 nan 0.000 0.503 241 P HA -0.160 nan 4.420 nan 0.000 0.216 241 P C 1.220 178.266 177.300 -0.424 0.000 1.150 241 P CA 1.932 64.769 63.100 -0.438 0.000 0.843 241 P CB 0.037 31.269 31.700 -0.780 0.000 0.787 242 E N 0.046 119.869 120.200 -0.629 0.000 2.085 242 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 242 E C 1.732 178.059 176.600 -0.456 0.000 0.994 242 E CA 1.575 57.624 56.400 -0.585 0.000 0.801 242 E CB -1.175 28.017 29.700 -0.846 0.000 0.743 242 E HN 0.133 nan 8.360 nan 0.000 0.453 243 V N -1.216 118.386 119.914 -0.521 0.000 2.515 243 V HA -0.194 3.926 4.120 -0.000 0.000 0.250 243 V C 1.882 177.643 176.094 -0.555 0.000 1.058 243 V CA 1.689 63.666 62.300 -0.537 0.000 1.064 243 V CB -1.060 30.416 31.823 -0.578 0.000 0.675 243 V HN 0.239 nan 8.190 nan 0.000 0.461 244 Y N 0.250 120.340 120.300 -0.351 0.000 2.314 244 Y HA 0.202 4.752 4.550 -0.000 0.000 0.293 244 Y C 2.397 178.149 175.900 -0.247 0.000 1.129 244 Y CA 1.371 59.322 58.100 -0.248 0.000 1.201 244 Y CB -0.349 38.013 38.460 -0.162 0.000 0.999 244 Y HN 0.178 nan 8.280 nan 0.000 0.541 245 I N -0.477 120.012 120.570 -0.135 0.000 2.493 245 I HA -0.266 3.904 4.170 -0.000 0.000 0.254 245 I C 1.598 177.601 176.117 -0.190 0.000 1.160 245 I CA 1.238 62.448 61.300 -0.150 0.000 1.445 245 I CB -0.178 37.719 38.000 -0.172 0.000 1.086 245 I HN 0.245 nan 8.210 nan 0.000 0.433 246 L N -0.596 120.483 121.223 -0.239 0.000 2.418 246 L HA -0.062 4.278 4.340 -0.000 0.000 0.218 246 L C 2.122 178.870 176.870 -0.204 0.000 1.125 246 L CA 0.464 55.166 54.840 -0.230 0.000 0.835 246 L CB 0.079 41.974 42.059 -0.275 0.000 0.953 246 L HN 0.206 nan 8.230 nan 0.000 0.454 247 I N -1.019 119.395 120.570 -0.259 0.000 3.616 247 I HA -0.034 4.136 4.170 -0.000 0.000 0.296 247 I C 2.011 177.852 176.117 -0.460 0.000 1.226 247 I CA 0.833 61.924 61.300 -0.349 0.000 1.394 247 I CB 0.185 37.891 38.000 -0.490 0.000 1.171 247 I HN -0.003 nan 8.210 nan 0.000 0.442 248 L N 1.314 122.320 121.223 -0.362 0.000 2.021 248 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 248 L C -0.434 176.440 176.870 0.007 0.000 1.074 248 L CA 1.893 56.633 54.840 -0.167 0.000 0.760 248 L CB -1.948 40.085 42.059 -0.043 0.000 0.889 248 L HN 0.207 nan 8.230 nan 0.000 0.433 249 P HA -0.113 nan 4.420 nan 0.000 0.217 249 P C 1.534 178.930 177.300 0.160 0.000 1.150 249 P CA 1.633 64.762 63.100 0.048 0.000 0.832 249 P CB -0.150 31.552 31.700 0.003 0.000 0.787 250 G N -1.148 107.687 108.800 0.059 0.000 2.408 250 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 250 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 250 G C 1.272 176.218 174.900 0.078 0.000 1.150 250 G CA 0.296 45.407 45.100 0.018 0.000 0.776 250 G HN 0.089 nan 8.290 nan 0.000 0.542 251 F N 2.081 122.046 119.950 0.025 0.000 2.126 251 F HA -0.041 4.486 4.527 -0.000 0.000 0.299 251 F C 2.805 178.757 175.800 0.252 0.000 1.096 251 F CA 0.556 58.666 58.000 0.183 0.000 1.255 251 F CB -1.116 38.019 39.000 0.224 0.000 0.997 251 F HN 0.188 nan 8.300 nan 0.000 0.479 252 G N -0.065 109.002 108.800 0.445 0.000 2.511 252 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 252 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 252 G C 1.745 176.903 174.900 0.429 0.000 1.218 252 G CA 1.017 46.405 45.100 0.480 0.000 0.788 252 G HN 0.250 nan 8.290 nan 0.000 0.560 253 M N 0.155 119.933 119.600 0.296 0.000 2.195 253 M HA -0.086 4.394 4.480 -0.000 0.000 0.260 253 M C 2.481 178.785 176.300 0.006 0.000 1.066 253 M CA 1.087 56.446 55.300 0.097 0.000 1.089 253 M CB -0.475 32.095 32.600 -0.049 0.000 1.377 253 M HN 0.154 nan 8.290 nan 0.000 0.411 254 I N -0.248 120.240 120.570 -0.136 0.000 2.252 254 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 254 I C 2.436 178.412 176.117 -0.235 0.000 1.102 254 I CA 1.364 62.406 61.300 -0.431 0.000 1.385 254 I CB -1.238 36.124 38.000 -1.063 0.000 1.064 254 I HN 0.237 nan 8.210 nan 0.000 0.414 255 S N -0.441 115.371 115.700 0.187 0.000 2.383 255 S HA -0.191 4.279 4.470 -0.000 0.000 0.229 255 S C 1.889 176.681 174.600 0.321 0.000 1.030 255 S CA 1.075 59.555 58.200 0.466 0.000 1.002 255 S CB -0.443 63.125 63.200 0.613 0.000 0.829 255 S HN 0.503 nan 8.310 nan 0.000 0.467 256 H N 0.268 119.443 119.070 0.176 0.000 2.363 256 H HA 0.121 4.677 4.556 -0.000 0.000 0.301 256 H C 2.149 177.456 175.328 -0.035 0.000 1.074 256 H CA 1.181 57.319 56.048 0.151 0.000 1.354 256 H CB -0.072 29.849 29.762 0.265 0.000 1.397 256 H HN 0.326 nan 8.280 nan 0.000 0.516 257 I N 0.282 120.815 120.570 -0.063 0.000 2.179 257 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 257 I C 2.485 178.611 176.117 0.015 0.000 1.088 257 I CA 0.770 61.934 61.300 -0.226 0.000 1.357 257 I CB -0.143 37.648 38.000 -0.349 0.000 1.051 257 I HN 0.034 nan 8.210 nan 0.000 0.409 258 V N 0.597 120.486 119.914 -0.041 0.000 2.427 258 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 258 V C 2.470 178.609 176.094 0.075 0.000 1.051 258 V CA 2.297 64.590 62.300 -0.012 0.000 1.048 258 V CB -0.631 31.137 31.823 -0.092 0.000 0.666 258 V HN 0.481 nan 8.190 nan 0.000 0.456 259 T N -1.263 113.356 114.554 0.109 0.000 2.737 259 T HA -0.203 4.147 4.350 -0.000 0.000 0.265 259 T C 1.752 176.491 174.700 0.065 0.000 1.038 259 T CA 1.807 63.971 62.100 0.107 0.000 1.144 259 T CB -0.368 68.571 68.868 0.118 0.000 0.866 259 T HN 0.527 nan 8.240 nan 0.000 0.434 260 Y N 0.837 121.090 120.300 -0.077 0.000 2.165 260 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 260 Y C 1.494 177.178 175.900 -0.361 0.000 1.155 260 Y CA 1.304 59.268 58.100 -0.225 0.000 1.164 260 Y CB -0.315 37.948 38.460 -0.329 0.000 0.978 260 Y HN 0.297 nan 8.280 nan 0.000 0.513 261 Y N -1.599 118.689 120.300 -0.019 0.000 2.461 261 Y HA 0.120 4.670 4.550 -0.000 0.000 0.277 261 Y C 1.998 177.796 175.900 -0.171 0.000 1.182 261 Y CA 0.484 58.509 58.100 -0.125 0.000 1.276 261 Y CB 0.091 38.484 38.460 -0.112 0.000 1.087 261 Y HN -0.015 nan 8.280 nan 0.000 0.519 262 S N -1.095 114.576 115.700 -0.049 0.000 2.524 262 S HA 0.214 4.684 4.470 -0.000 0.000 0.215 262 S C 1.776 176.320 174.600 -0.094 0.000 0.986 262 S CA 0.574 58.741 58.200 -0.055 0.000 0.911 262 S CB 0.162 63.360 63.200 -0.002 0.000 0.805 262 S HN 0.642 nan 8.310 nan 0.000 0.501 263 G N 1.740 110.434 108.800 -0.176 0.000 2.153 263 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.252 263 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.252 263 G C 0.002 174.822 174.900 -0.132 0.000 0.994 263 G CA 0.310 45.284 45.100 -0.209 0.000 0.698 263 G HN 0.379 nan 8.290 nan 0.000 0.521 264 K N -0.106 120.245 120.400 -0.082 0.000 2.126 264 K HA 0.597 4.917 4.320 -0.000 0.000 0.257 264 K C 1.576 178.163 176.600 -0.022 0.000 1.007 264 K CA -0.572 55.700 56.287 -0.025 0.000 0.928 264 K CB 0.573 33.093 32.500 0.032 0.000 1.013 264 K HN -0.057 nan 8.250 nan 0.000 0.473 265 K N 1.289 121.687 120.400 -0.003 0.000 2.005 265 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 265 K C 0.227 176.845 176.600 0.031 0.000 1.044 265 K CA 1.395 57.686 56.287 0.007 0.000 0.942 265 K CB -0.018 32.484 32.500 0.003 0.000 0.727 265 K HN 0.819 nan 8.250 nan 0.000 0.439 266 E N 0.985 121.208 120.200 0.039 0.000 2.378 266 E HA 0.418 4.768 4.350 -0.000 0.000 0.265 266 E C -2.726 173.937 176.600 0.105 0.000 0.932 266 E CA -2.263 54.175 56.400 0.063 0.000 0.795 266 E CB 2.015 31.736 29.700 0.036 0.000 1.296 266 E HN -0.181 nan 8.360 nan 0.000 0.438 267 P HA 0.128 nan 4.420 nan 0.000 0.279 267 P C -0.874 176.551 177.300 0.208 0.000 1.252 267 P CA -0.517 62.713 63.100 0.216 0.000 0.811 267 P CB 0.541 32.396 31.700 0.259 0.000 1.035 268 F N 1.655 121.688 119.950 0.138 0.000 2.572 268 F HA 0.335 4.862 4.527 -0.000 0.000 0.370 268 F C 1.443 177.301 175.800 0.097 0.000 1.103 268 F CA 1.451 59.518 58.000 0.112 0.000 1.286 268 F CB -0.279 38.786 39.000 0.107 0.000 1.105 268 F HN 0.709 nan 8.300 nan 0.000 0.583 269 G N 5.785 114.303 108.800 -0.470 0.000 2.338 269 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.296 269 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.296 269 G C 0.530 175.459 174.900 0.047 0.000 1.040 269 G CA 0.640 45.648 45.100 -0.153 0.000 1.004 269 G HN 1.064 nan 8.290 nan 0.000 0.509 270 Y N 0.232 120.503 120.300 -0.049 0.000 2.062 270 Y HA -0.298 4.252 4.550 -0.000 0.000 0.276 270 Y C 2.605 178.514 175.900 0.015 0.000 1.189 270 Y CA 2.775 60.888 58.100 0.021 0.000 1.130 270 Y CB -0.135 38.356 38.460 0.053 0.000 0.959 270 Y HN 0.383 nan 8.280 nan 0.000 0.499 271 M N -0.101 119.615 119.600 0.193 0.000 2.296 271 M HA -0.079 4.401 4.480 -0.000 0.000 0.265 271 M C 2.348 178.624 176.300 -0.040 0.000 1.064 271 M CA 1.332 56.647 55.300 0.025 0.000 1.109 271 M CB -1.756 30.889 32.600 0.075 0.000 1.396 271 M HN 0.533 nan 8.290 nan 0.000 0.430 272 G N -0.464 108.333 108.800 -0.005 0.000 2.403 272 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 272 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 272 G C 1.510 176.472 174.900 0.104 0.000 1.154 272 G CA 0.392 45.530 45.100 0.063 0.000 0.784 272 G HN 0.282 nan 8.290 nan 0.000 0.538 273 M N 0.307 119.882 119.600 -0.041 0.000 2.175 273 M HA 0.064 4.544 4.480 -0.000 0.000 0.264 273 M C 2.502 178.661 176.300 -0.235 0.000 1.063 273 M CA 0.835 56.054 55.300 -0.135 0.000 1.119 273 M CB -0.136 32.376 32.600 -0.147 0.000 1.377 273 M HN 0.057 nan 8.290 nan 0.000 0.415 274 V N -1.590 118.094 119.914 -0.383 0.000 2.323 274 V HA -0.258 3.862 4.120 -0.000 0.000 0.244 274 V C 1.932 177.825 176.094 -0.336 0.000 1.041 274 V CA 1.823 63.756 62.300 -0.612 0.000 1.025 274 V CB -0.926 30.351 31.823 -0.911 0.000 0.656 274 V HN 0.765 nan 8.190 nan 0.000 0.451 275 W N 1.310 122.426 121.300 -0.306 0.000 2.335 275 W HA -0.222 4.438 4.660 -0.000 0.000 0.311 275 W C 2.440 178.881 176.519 -0.129 0.000 1.213 275 W CA 2.286 59.521 57.345 -0.184 0.000 1.274 275 W CB -0.471 28.913 29.460 -0.127 0.000 1.148 275 W HN 0.188 nan 8.180 nan 0.000 0.498 276 A N 0.722 123.489 122.820 -0.089 0.000 1.892 276 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 276 A C 2.055 179.447 177.584 -0.319 0.000 1.188 276 A CA 2.641 54.472 52.037 -0.344 0.000 0.631 276 A CB -1.005 17.941 19.000 -0.090 0.000 0.822 276 A HN 0.466 nan 8.150 nan 0.000 0.447 277 M N -2.217 117.265 119.600 -0.196 0.000 2.132 277 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 277 M C 2.469 178.688 176.300 -0.134 0.000 1.065 277 M CA 1.942 57.189 55.300 -0.090 0.000 1.122 277 M CB -0.395 32.183 32.600 -0.036 0.000 1.365 277 M HN 0.494 nan 8.290 nan 0.000 0.411 278 M N 0.287 119.759 119.600 -0.214 0.000 2.080 278 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 278 M C 2.260 178.465 176.300 -0.159 0.000 1.068 278 M CA 1.791 56.995 55.300 -0.159 0.000 1.109 278 M CB -0.086 32.401 32.600 -0.188 0.000 1.342 278 M HN 0.124 nan 8.290 nan 0.000 0.405 279 S N 0.370 115.849 115.700 -0.368 0.000 2.348 279 S HA -0.132 4.338 4.470 -0.000 0.000 0.221 279 S C 1.788 176.290 174.600 -0.165 0.000 1.033 279 S CA 1.729 59.734 58.200 -0.324 0.000 1.010 279 S CB -0.614 62.141 63.200 -0.742 0.000 0.891 279 S HN 0.499 nan 8.310 nan 0.000 0.442 280 I N 1.569 122.013 120.570 -0.211 0.000 2.185 280 I HA -0.241 3.929 4.170 -0.000 0.000 0.246 280 I C 2.658 178.651 176.117 -0.206 0.000 1.088 280 I CA 1.315 62.497 61.300 -0.197 0.000 1.347 280 I CB -0.912 37.046 38.000 -0.070 0.000 1.041 280 I HN 0.394 nan 8.210 nan 0.000 0.415 281 G N 0.381 109.140 108.800 -0.068 0.000 2.440 281 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 281 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 281 G C 1.557 176.557 174.900 0.167 0.000 1.154 281 G CA 0.751 45.873 45.100 0.036 0.000 0.767 281 G HN 0.341 nan 8.290 nan 0.000 0.552 282 F N 1.228 121.182 119.950 0.007 0.000 2.098 282 F HA 0.152 4.679 4.527 -0.000 0.000 0.294 282 F C 2.495 178.342 175.800 0.078 0.000 1.107 282 F CA 0.917 58.962 58.000 0.074 0.000 1.234 282 F CB -0.455 38.547 39.000 0.004 0.000 1.002 282 F HN 0.029 nan 8.300 nan 0.000 0.472 283 L N 0.117 121.202 121.223 -0.231 0.000 2.079 283 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 283 L C 2.669 179.374 176.870 -0.276 0.000 1.081 283 L CA 1.248 55.898 54.840 -0.317 0.000 0.752 283 L CB -1.625 40.318 42.059 -0.193 0.000 0.896 283 L HN 0.359 nan 8.230 nan 0.000 0.433 284 G N -0.874 107.740 108.800 -0.309 0.000 2.527 284 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 284 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 284 G C 1.248 176.049 174.900 -0.164 0.000 1.117 284 G CA 0.331 45.268 45.100 -0.271 0.000 0.759 284 G HN 0.263 nan 8.290 nan 0.000 0.556 285 F N 0.087 119.953 119.950 -0.140 0.000 2.698 285 F HA 0.293 4.820 4.527 -0.000 0.000 0.295 285 F C 1.860 177.667 175.800 0.010 0.000 1.124 285 F CA -0.106 57.799 58.000 -0.158 0.000 1.426 285 F CB 0.399 39.289 39.000 -0.184 0.000 1.120 285 F HN 0.212 nan 8.300 nan 0.000 0.583 286 I N -1.686 118.980 120.570 0.161 0.000 3.654 286 I HA 0.278 4.448 4.170 -0.000 0.000 0.337 286 I C 0.198 176.454 176.117 0.231 0.000 1.568 286 I CA -0.038 61.440 61.300 0.297 0.000 1.115 286 I CB 0.208 38.254 38.000 0.077 0.000 1.300 286 I HN -0.108 nan 8.210 nan 0.000 0.471 287 V N -3.463 116.606 119.914 0.259 0.000 3.432 287 V HA 0.194 4.314 4.120 -0.000 0.000 0.290 287 V C 1.627 177.693 176.094 -0.046 0.000 1.591 287 V CA -0.113 62.280 62.300 0.156 0.000 1.069 287 V CB -1.056 30.755 31.823 -0.019 0.000 0.892 287 V HN 0.723 nan 8.190 nan 0.000 0.436 288 W N 2.678 124.008 121.300 0.050 0.000 2.274 288 W HA -0.264 4.396 4.660 -0.000 0.000 0.314 288 W C 1.879 178.182 176.519 -0.359 0.000 1.254 288 W CA 2.589 59.901 57.345 -0.057 0.000 1.265 288 W CB -1.237 28.354 29.460 0.218 0.000 1.141 288 W HN 0.280 nan 8.180 nan 0.000 0.505 289 A N 1.784 123.840 122.820 -1.273 0.000 2.259 289 A HA -0.214 4.106 4.320 -0.000 0.000 0.212 289 A C 1.819 178.684 177.584 -1.199 0.000 1.178 289 A CA 1.368 52.572 52.037 -1.389 0.000 0.734 289 A CB -1.796 15.749 19.000 -2.425 0.000 0.774 289 A HN 0.812 nan 8.150 nan 0.000 0.481 290 H N -2.823 115.685 119.070 -0.937 0.000 2.561 290 H HA -0.013 4.543 4.556 -0.000 0.000 0.278 290 H C 0.808 175.248 175.328 -1.479 0.000 1.014 290 H CA 1.032 56.132 56.048 -1.580 0.000 1.211 290 H CB -0.380 28.859 29.762 -0.872 0.000 1.365 290 H HN 0.685 nan 8.280 nan 0.000 0.594 291 H N 0.446 118.946 119.070 -0.950 0.000 2.539 291 H HA 0.215 4.771 4.556 -0.000 0.000 0.269 291 H C 0.387 175.327 175.328 -0.646 0.000 0.980 291 H CA 0.278 55.780 56.048 -0.910 0.000 1.152 291 H CB 0.469 29.108 29.762 -1.872 0.000 1.407 291 H HN 0.429 nan 8.280 nan 0.000 0.564 292 M N -0.262 119.014 119.600 -0.540 0.000 3.320 292 M HA 0.117 4.597 4.480 -0.000 0.000 0.414 292 M C 0.101 176.290 176.300 -0.185 0.000 1.553 292 M CA -0.246 54.884 55.300 -0.284 0.000 0.742 292 M CB 0.560 33.040 32.600 -0.200 0.000 1.434 292 M HN -0.105 nan 8.290 nan 0.000 0.505 293 F N 0.959 120.752 119.950 -0.262 0.000 2.146 293 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 293 F C 2.492 178.178 175.800 -0.191 0.000 1.096 293 F CA 1.466 59.342 58.000 -0.207 0.000 1.275 293 F CB -0.778 38.115 39.000 -0.178 0.000 1.008 293 F HN 0.244 nan 8.300 nan 0.000 0.480 294 T N -2.723 111.767 114.554 -0.107 0.000 3.332 294 T HA 0.234 4.584 4.350 -0.000 0.000 0.246 294 T C 1.243 175.913 174.700 -0.051 0.000 0.943 294 T CA 0.196 62.237 62.100 -0.098 0.000 0.922 294 T CB -0.382 68.389 68.868 -0.161 0.000 1.086 294 T HN -0.006 nan 8.240 nan 0.000 0.590 295 V N 0.228 120.129 119.914 -0.021 0.000 3.431 295 V HA 0.480 4.600 4.120 -0.000 0.000 0.253 295 V C 1.850 177.963 176.094 0.031 0.000 1.184 295 V CA 0.884 63.190 62.300 0.009 0.000 1.104 295 V CB 0.206 32.023 31.823 -0.010 0.000 0.799 295 V HN 0.834 nan 8.190 nan 0.000 0.462 296 G N 0.110 108.932 108.800 0.036 0.000 2.148 296 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.157 296 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.157 296 G C -0.028 174.906 174.900 0.058 0.000 1.012 296 G CA -0.123 45.004 45.100 0.045 0.000 0.677 296 G HN 0.327 nan 8.290 nan 0.000 0.506 297 M N 1.044 120.684 119.600 0.067 0.000 2.228 297 M HA 0.330 4.810 4.480 -0.000 0.000 0.326 297 M C 0.023 176.372 176.300 0.081 0.000 1.122 297 M CA -0.463 54.892 55.300 0.091 0.000 1.161 297 M CB 0.259 32.927 32.600 0.113 0.000 1.437 297 M HN 0.023 nan 8.290 nan 0.000 0.465 298 D N 1.294 121.749 120.400 0.091 0.000 2.458 298 D HA -0.033 4.607 4.640 -0.000 0.000 0.243 298 D C 0.996 177.338 176.300 0.070 0.000 1.146 298 D CA 0.015 54.059 54.000 0.074 0.000 0.877 298 D CB 0.957 41.803 40.800 0.077 0.000 1.176 298 D HN 0.408 nan 8.370 nan 0.000 0.461 299 V N 2.940 122.879 119.914 0.041 0.000 2.370 299 V HA -0.294 3.826 4.120 -0.000 0.000 0.252 299 V C 1.421 177.536 176.094 0.036 0.000 1.068 299 V CA 2.033 64.346 62.300 0.021 0.000 1.061 299 V CB -0.037 31.788 31.823 0.003 0.000 0.656 299 V HN 0.476 nan 8.190 nan 0.000 0.455 300 D N -0.535 119.895 120.400 0.051 0.000 2.117 300 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 300 D C 2.258 178.623 176.300 0.109 0.000 0.982 300 D CA 1.987 56.023 54.000 0.061 0.000 0.828 300 D CB -0.286 40.544 40.800 0.049 0.000 0.967 300 D HN 0.668 nan 8.370 nan 0.000 0.464 301 T N -1.013 113.628 114.554 0.145 0.000 3.023 301 T HA -0.039 4.311 4.350 -0.000 0.000 0.266 301 T C 1.929 176.847 174.700 0.362 0.000 1.093 301 T CA 0.566 62.819 62.100 0.254 0.000 1.129 301 T CB 0.133 69.157 68.868 0.260 0.000 0.899 301 T HN -0.048 nan 8.240 nan 0.000 0.491 302 R N 0.200 120.829 120.500 0.216 0.000 2.189 302 R HA 0.291 4.631 4.340 -0.000 0.000 0.218 302 R C 2.753 179.102 176.300 0.081 0.000 1.074 302 R CA 1.035 57.237 56.100 0.171 0.000 0.991 302 R CB -0.367 29.927 30.300 -0.009 0.000 0.883 302 R HN 0.540 nan 8.270 nan 0.000 0.457 303 A N 0.043 122.902 122.820 0.066 0.000 1.872 303 A HA -0.195 4.125 4.320 -0.000 0.000 0.214 303 A C 1.893 179.489 177.584 0.020 0.000 1.187 303 A CA 1.059 53.102 52.037 0.010 0.000 0.614 303 A CB -0.782 18.227 19.000 0.014 0.000 0.826 303 A HN 0.459 nan 8.150 nan 0.000 0.442 304 Y N -0.049 120.243 120.300 -0.012 0.000 2.081 304 Y HA -0.281 4.269 4.550 -0.000 0.000 0.280 304 Y C 1.806 177.628 175.900 -0.130 0.000 1.163 304 Y CA 2.082 60.110 58.100 -0.121 0.000 1.135 304 Y CB -0.719 37.593 38.460 -0.246 0.000 0.970 304 Y HN 0.247 nan 8.280 nan 0.000 0.498 305 F N 0.269 120.047 119.950 -0.286 0.000 2.451 305 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 305 F C 2.620 178.373 175.800 -0.079 0.000 1.101 305 F CA 1.602 59.427 58.000 -0.291 0.000 1.436 305 F CB -0.664 38.317 39.000 -0.033 0.000 1.074 305 F HN 0.296 nan 8.300 nan 0.000 0.553 306 T N -4.377 110.237 114.554 0.100 0.000 3.010 306 T HA -0.030 4.320 4.350 -0.000 0.000 0.252 306 T C 2.170 176.835 174.700 -0.060 0.000 1.047 306 T CA 1.064 63.211 62.100 0.078 0.000 1.140 306 T CB -0.462 68.382 68.868 -0.041 0.000 0.885 306 T HN 0.067 nan 8.240 nan 0.000 0.464 307 S N 2.081 117.696 115.700 -0.141 0.000 2.348 307 S HA 0.107 4.577 4.470 -0.000 0.000 0.221 307 S C 2.629 177.115 174.600 -0.190 0.000 1.033 307 S CA 1.168 59.282 58.200 -0.143 0.000 1.010 307 S CB -0.985 62.137 63.200 -0.130 0.000 0.891 307 S HN 0.766 nan 8.310 nan 0.000 0.442 308 A N 1.335 123.924 122.820 -0.384 0.000 1.908 308 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 308 A C 2.304 179.774 177.584 -0.189 0.000 1.181 308 A CA 2.118 53.946 52.037 -0.348 0.000 0.627 308 A CB -1.390 17.224 19.000 -0.644 0.000 0.818 308 A HN 0.489 nan 8.150 nan 0.000 0.445 309 T N -0.068 114.408 114.554 -0.129 0.000 2.833 309 T HA -0.112 4.238 4.350 -0.000 0.000 0.269 309 T C 1.852 176.519 174.700 -0.056 0.000 1.054 309 T CA 1.685 63.758 62.100 -0.045 0.000 1.135 309 T CB -0.282 68.605 68.868 0.031 0.000 0.869 309 T HN 0.467 nan 8.240 nan 0.000 0.466 310 M N 0.847 120.414 119.600 -0.055 0.000 2.254 310 M HA 0.109 4.589 4.480 -0.000 0.000 0.265 310 M C 2.302 178.592 176.300 -0.017 0.000 1.066 310 M CA 1.065 56.344 55.300 -0.034 0.000 1.123 310 M CB -0.502 32.079 32.600 -0.031 0.000 1.388 310 M HN 0.331 nan 8.290 nan 0.000 0.425 311 I N -1.198 119.357 120.570 -0.026 0.000 2.530 311 I HA -0.236 3.934 4.170 -0.000 0.000 0.257 311 I C 1.861 177.981 176.117 0.006 0.000 1.179 311 I CA 1.337 62.638 61.300 0.001 0.000 1.440 311 I CB -0.779 37.224 38.000 0.006 0.000 1.087 311 I HN 0.233 nan 8.210 nan 0.000 0.440 312 I N 2.148 122.709 120.570 -0.015 0.000 2.567 312 I HA -0.208 3.962 4.170 -0.000 0.000 0.257 312 I C 2.953 179.096 176.117 0.043 0.000 1.184 312 I CA 1.132 62.427 61.300 -0.009 0.000 1.451 312 I CB -0.641 37.355 38.000 -0.005 0.000 1.089 312 I HN 0.347 nan 8.210 nan 0.000 0.441 313 A N 1.356 124.205 122.820 0.048 0.000 1.972 313 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 313 A C 2.260 179.895 177.584 0.085 0.000 1.169 313 A CA 1.151 53.229 52.037 0.068 0.000 0.635 313 A CB -0.502 18.527 19.000 0.049 0.000 0.810 313 A HN 0.349 nan 8.150 nan 0.000 0.446 314 I N 0.496 121.119 120.570 0.087 0.000 2.090 314 I HA -0.167 4.003 4.170 -0.000 0.000 0.236 314 I C -0.218 175.989 176.117 0.150 0.000 1.064 314 I CA 1.656 63.036 61.300 0.134 0.000 1.324 314 I CB -1.195 36.898 38.000 0.155 0.000 1.044 314 I HN 0.237 nan 8.210 nan 0.000 0.399 315 P HA -0.153 nan 4.420 nan 0.000 0.215 315 P C 1.602 178.903 177.300 0.002 0.000 1.153 315 P CA 1.850 64.928 63.100 -0.036 0.000 0.853 315 P CB -0.351 31.131 31.700 -0.364 0.000 0.788 316 T N -0.295 114.280 114.554 0.034 0.000 2.759 316 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 316 T C 2.126 176.814 174.700 -0.020 0.000 1.042 316 T CA 1.832 63.968 62.100 0.060 0.000 1.140 316 T CB -1.204 67.804 68.868 0.235 0.000 0.864 316 T HN 0.238 nan 8.240 nan 0.000 0.455 317 G N 1.686 110.508 108.800 0.036 0.000 2.459 317 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 317 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 317 G C 1.855 176.788 174.900 0.055 0.000 1.183 317 G CA 1.302 46.419 45.100 0.028 0.000 0.776 317 G HN 0.555 nan 8.290 nan 0.000 0.552 318 V N -0.202 119.799 119.914 0.146 0.000 2.469 318 V HA -0.127 3.993 4.120 -0.000 0.000 0.251 318 V C 2.409 178.468 176.094 -0.060 0.000 1.064 318 V CA 2.600 64.991 62.300 0.152 0.000 1.066 318 V CB -0.519 31.445 31.823 0.235 0.000 0.667 318 V HN 0.383 nan 8.190 nan 0.000 0.461 319 K N 0.259 120.504 120.400 -0.259 0.000 1.984 319 K HA -0.047 4.273 4.320 -0.000 0.000 0.209 319 K C 2.274 178.354 176.600 -0.866 0.000 1.046 319 K CA 1.685 57.556 56.287 -0.693 0.000 0.934 319 K CB -0.639 31.284 32.500 -0.963 0.000 0.717 319 K HN 0.450 nan 8.250 nan 0.000 0.438 320 V N 1.267 120.834 119.914 -0.578 0.000 2.282 320 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 320 V C 2.149 178.110 176.094 -0.221 0.000 1.057 320 V CA 1.856 63.993 62.300 -0.271 0.000 1.032 320 V CB -0.559 31.109 31.823 -0.258 0.000 0.645 320 V HN 0.164 nan 8.190 nan 0.000 0.447 321 F N 0.235 120.163 119.950 -0.037 0.000 2.234 321 F HA -0.088 4.439 4.527 -0.000 0.000 0.299 321 F C 2.656 178.390 175.800 -0.110 0.000 1.087 321 F CA 1.362 59.333 58.000 -0.048 0.000 1.340 321 F CB -1.051 37.913 39.000 -0.059 0.000 1.031 321 F HN 0.031 nan 8.300 nan 0.000 0.500 322 S N -1.039 114.665 115.700 0.008 0.000 2.368 322 S HA -0.180 4.290 4.470 -0.000 0.000 0.225 322 S C 1.875 176.539 174.600 0.108 0.000 1.030 322 S CA 1.018 59.231 58.200 0.022 0.000 0.999 322 S CB -0.391 62.828 63.200 0.032 0.000 0.844 322 S HN 0.399 nan 8.310 nan 0.000 0.459 323 W N 0.955 122.300 121.300 0.074 0.000 2.402 323 W HA 0.080 4.740 4.660 -0.000 0.000 0.286 323 W C 1.744 178.300 176.519 0.061 0.000 1.221 323 W CA 0.131 57.518 57.345 0.069 0.000 1.257 323 W CB -1.077 28.411 29.460 0.047 0.000 1.120 323 W HN 0.300 nan 8.180 nan 0.000 0.551 324 L N 0.495 121.886 121.223 0.280 0.000 2.093 324 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 324 L C 2.648 179.569 176.870 0.085 0.000 1.085 324 L CA 2.114 57.062 54.840 0.179 0.000 0.755 324 L CB -1.594 40.578 42.059 0.188 0.000 0.904 324 L HN -0.110 nan 8.230 nan 0.000 0.435 325 A N -1.610 121.197 122.820 -0.022 0.000 1.969 325 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 325 A C 2.316 179.969 177.584 0.116 0.000 1.169 325 A CA 2.075 54.006 52.037 -0.176 0.000 0.635 325 A CB -0.881 17.598 19.000 -0.869 0.000 0.810 325 A HN 0.427 nan 8.150 nan 0.000 0.445 326 T N 0.425 115.111 114.554 0.221 0.000 2.821 326 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 326 T C 1.747 176.564 174.700 0.195 0.000 1.046 326 T CA 1.288 63.552 62.100 0.272 0.000 1.139 326 T CB -0.327 68.718 68.868 0.296 0.000 0.871 326 T HN 0.367 nan 8.240 nan 0.000 0.454 327 L N 0.066 121.387 121.223 0.165 0.000 2.131 327 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 327 L C 2.369 179.323 176.870 0.140 0.000 1.092 327 L CA 0.888 55.793 54.840 0.108 0.000 0.759 327 L CB -0.586 41.522 42.059 0.081 0.000 0.903 327 L HN 0.320 nan 8.230 nan 0.000 0.435 328 H N 0.814 119.913 119.070 0.049 0.000 2.760 328 H HA -0.263 4.293 4.556 -0.000 0.000 0.231 328 H C 1.813 177.162 175.328 0.035 0.000 1.018 328 H CA 1.804 57.875 56.048 0.039 0.000 1.430 328 H CB -0.827 28.958 29.762 0.039 0.000 1.930 328 H HN 0.226 nan 8.280 nan 0.000 0.981 329 G N 0.233 108.901 108.800 -0.220 0.000 2.882 329 G HA2 0.135 4.095 3.960 -0.000 0.000 0.206 329 G HA3 0.135 4.095 3.960 -0.000 0.000 0.206 329 G C 0.738 175.582 174.900 -0.093 0.000 1.155 329 G CA 0.488 45.428 45.100 -0.266 0.000 0.800 329 G HN 0.702 nan 8.290 nan 0.000 0.524 330 G N 0.212 108.994 108.800 -0.030 0.000 2.559 330 G HA2 0.175 4.135 3.960 -0.000 0.000 0.235 330 G HA3 0.175 4.135 3.960 -0.000 0.000 0.235 330 G C 0.046 174.924 174.900 -0.038 0.000 1.266 330 G CA -0.438 44.646 45.100 -0.027 0.000 0.847 330 G HN 0.283 nan 8.290 nan 0.000 0.583 331 N N 0.959 119.629 118.700 -0.050 0.000 2.918 331 N HA 0.190 4.930 4.740 -0.000 0.000 0.247 331 N C -0.155 175.320 175.510 -0.058 0.000 1.117 331 N CA -0.642 52.381 53.050 -0.046 0.000 1.005 331 N CB -0.015 38.436 38.487 -0.059 0.000 1.297 331 N HN 0.221 nan 8.380 nan 0.000 0.513 332 I N 1.634 122.170 120.570 -0.058 0.000 2.683 332 I HA 0.022 4.192 4.170 -0.000 0.000 0.286 332 I C 0.847 176.901 176.117 -0.106 0.000 1.175 332 I CA 0.449 61.671 61.300 -0.131 0.000 1.429 332 I CB 0.477 38.329 38.000 -0.247 0.000 1.371 332 I HN 0.380 nan 8.210 nan 0.000 0.569 333 K N 6.086 126.418 120.400 -0.113 0.000 2.425 333 K HA 0.250 4.570 4.320 -0.000 0.000 0.259 333 K C -1.051 175.493 176.600 -0.095 0.000 0.978 333 K CA -0.560 55.732 56.287 0.009 0.000 0.883 333 K CB 0.528 33.107 32.500 0.131 0.000 1.110 333 K HN 0.471 nan 8.250 nan 0.000 0.436 334 W N 4.534 125.814 121.300 -0.034 0.000 1.317 334 W HA 0.017 4.677 4.660 -0.000 0.000 0.492 334 W C 0.516 176.946 176.519 -0.150 0.000 0.581 334 W CA -0.340 56.941 57.345 -0.107 0.000 2.503 334 W CB -0.391 29.006 29.460 -0.104 0.000 1.157 334 W HN 0.457 nan 8.180 nan 0.000 0.299 335 S N -0.431 115.212 115.700 -0.094 0.000 2.614 335 S HA 0.258 4.728 4.470 -0.000 0.000 0.265 335 S C -1.445 173.017 174.600 -0.230 0.000 1.303 335 S CA -1.119 56.990 58.200 -0.152 0.000 1.000 335 S CB 1.438 64.436 63.200 -0.336 0.000 0.935 335 S HN -0.043 nan 8.310 nan 0.000 0.551 336 P HA -0.111 nan 4.420 nan 0.000 0.214 336 P C 1.686 178.901 177.300 -0.142 0.000 1.163 336 P CA 2.222 65.252 63.100 -0.117 0.000 0.889 336 P CB -0.299 31.442 31.700 0.068 0.000 0.790 337 A N -1.107 121.644 122.820 -0.115 0.000 1.972 337 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 337 A C 2.193 179.591 177.584 -0.309 0.000 1.169 337 A CA 2.121 54.098 52.037 -0.100 0.000 0.635 337 A CB -1.437 17.444 19.000 -0.198 0.000 0.810 337 A HN 0.144 nan 8.150 nan 0.000 0.446 338 M N -0.726 118.527 119.600 -0.579 0.000 2.229 338 M HA -0.003 4.477 4.480 -0.000 0.000 0.264 338 M C 1.922 177.971 176.300 -0.418 0.000 1.063 338 M CA 1.667 56.651 55.300 -0.527 0.000 1.114 338 M CB -0.582 31.652 32.600 -0.609 0.000 1.387 338 M HN 0.409 nan 8.290 nan 0.000 0.420 339 M N -1.984 117.311 119.600 -0.509 0.000 2.132 339 M HA -0.162 4.318 4.480 -0.000 0.000 0.263 339 M C 1.811 177.648 176.300 -0.772 0.000 1.065 339 M CA 1.740 56.565 55.300 -0.792 0.000 1.122 339 M CB -0.550 31.268 32.600 -1.304 0.000 1.365 339 M HN 0.377 nan 8.290 nan 0.000 0.411 340 W N 0.185 121.213 121.300 -0.452 0.000 2.374 340 W HA -0.116 4.544 4.660 -0.000 0.000 0.288 340 W C 2.651 179.204 176.519 0.057 0.000 1.218 340 W CA 1.023 58.295 57.345 -0.121 0.000 1.245 340 W CB -0.319 29.075 29.460 -0.109 0.000 1.126 340 W HN 0.221 nan 8.180 nan 0.000 0.545 341 A N 0.074 122.958 122.820 0.107 0.000 1.873 341 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 341 A C 1.907 179.549 177.584 0.096 0.000 1.186 341 A CA 1.318 53.361 52.037 0.010 0.000 0.616 341 A CB -1.001 17.896 19.000 -0.171 0.000 0.823 341 A HN 0.258 nan 8.150 nan 0.000 0.442 342 L N -0.556 120.689 121.223 0.036 0.000 2.083 342 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 342 L C 2.828 179.883 176.870 0.309 0.000 1.083 342 L CA 0.987 55.890 54.840 0.105 0.000 0.752 342 L CB -0.830 41.226 42.059 -0.005 0.000 0.899 342 L HN 0.496 nan 8.230 nan 0.000 0.433 343 G N -0.021 109.037 108.800 0.431 0.000 2.459 343 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.217 343 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.217 343 G C 1.474 176.799 174.900 0.708 0.000 1.183 343 G CA 0.835 46.394 45.100 0.763 0.000 0.776 343 G HN 0.301 nan 8.290 nan 0.000 0.552 344 F N 1.717 122.012 119.950 0.576 0.000 2.065 344 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 344 F C 2.555 178.507 175.800 0.253 0.000 1.112 344 F CA 1.712 59.918 58.000 0.344 0.000 1.212 344 F CB -0.362 38.775 39.000 0.228 0.000 0.975 344 F HN 0.133 nan 8.300 nan 0.000 0.476 345 I N -0.798 120.080 120.570 0.513 0.000 2.145 345 I HA -0.344 3.826 4.170 -0.000 0.000 0.244 345 I C 2.346 178.675 176.117 0.354 0.000 1.075 345 I CA 1.889 63.435 61.300 0.410 0.000 1.332 345 I CB -0.709 37.483 38.000 0.321 0.000 1.033 345 I HN 0.265 nan 8.210 nan 0.000 0.410 346 F N 0.952 121.025 119.950 0.206 0.000 2.147 346 F HA -0.073 4.454 4.527 -0.000 0.000 0.291 346 F C 2.098 177.965 175.800 0.112 0.000 1.093 346 F CA 1.213 59.309 58.000 0.160 0.000 1.263 346 F CB -0.291 38.814 39.000 0.175 0.000 1.036 346 F HN -0.173 nan 8.300 nan 0.000 0.481 347 L N -0.113 121.065 121.223 -0.075 0.000 2.042 347 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 347 L C 2.363 179.096 176.870 -0.228 0.000 1.076 347 L CA 1.785 56.485 54.840 -0.233 0.000 0.749 347 L CB -1.818 40.083 42.059 -0.263 0.000 0.893 347 L HN 0.312 nan 8.230 nan 0.000 0.432 348 F N 0.035 119.745 119.950 -0.399 0.000 2.171 348 F HA -0.236 4.291 4.527 -0.000 0.000 0.300 348 F C 2.323 177.986 175.800 -0.229 0.000 1.090 348 F CA 1.895 59.644 58.000 -0.418 0.000 1.293 348 F CB -0.485 38.036 39.000 -0.797 0.000 1.013 348 F HN 0.046 nan 8.300 nan 0.000 0.486 349 T N 0.331 114.742 114.554 -0.237 0.000 2.643 349 T HA -0.190 4.160 4.350 -0.000 0.000 0.264 349 T C 2.175 176.650 174.700 -0.375 0.000 1.045 349 T CA 1.854 63.792 62.100 -0.269 0.000 1.155 349 T CB -0.838 67.983 68.868 -0.078 0.000 0.863 349 T HN 0.135 nan 8.240 nan 0.000 0.420 350 V N 1.403 121.049 119.914 -0.448 0.000 2.278 350 V HA -0.222 3.898 4.120 -0.000 0.000 0.251 350 V C 2.820 178.686 176.094 -0.381 0.000 1.062 350 V CA 2.236 64.287 62.300 -0.415 0.000 1.038 350 V CB -1.313 30.223 31.823 -0.479 0.000 0.646 350 V HN 0.668 nan 8.190 nan 0.000 0.447 351 G N -0.794 107.788 108.800 -0.363 0.000 2.422 351 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.218 351 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.218 351 G C 1.474 176.184 174.900 -0.316 0.000 1.140 351 G CA 0.825 45.714 45.100 -0.351 0.000 0.775 351 G HN 0.635 nan 8.290 nan 0.000 0.545 352 G N -0.158 108.340 108.800 -0.502 0.000 2.712 352 G HA2 0.135 4.095 3.960 -0.000 0.000 0.212 352 G HA3 0.135 4.095 3.960 -0.000 0.000 0.212 352 G C 1.470 176.247 174.900 -0.204 0.000 1.142 352 G CA 0.208 45.077 45.100 -0.386 0.000 0.789 352 G HN 0.310 nan 8.290 nan 0.000 0.535 353 L N 0.140 121.235 121.223 -0.214 0.000 2.168 353 L HA 0.201 4.541 4.340 -0.000 0.000 0.203 353 L C 2.783 179.583 176.870 -0.116 0.000 1.078 353 L CA 1.562 56.320 54.840 -0.138 0.000 0.780 353 L CB -0.792 41.183 42.059 -0.139 0.000 0.939 353 L HN 0.127 nan 8.230 nan 0.000 0.451 354 T N -1.219 113.244 114.554 -0.152 0.000 2.929 354 T HA -0.085 4.265 4.350 -0.000 0.000 0.271 354 T C 1.461 176.068 174.700 -0.156 0.000 1.085 354 T CA 1.172 63.185 62.100 -0.145 0.000 1.125 354 T CB -0.266 68.443 68.868 -0.265 0.000 0.874 354 T HN 0.513 nan 8.240 nan 0.000 0.494 355 G N -0.083 108.617 108.800 -0.168 0.000 2.985 355 G HA2 0.093 4.053 3.960 -0.000 0.000 0.209 355 G HA3 0.093 4.053 3.960 -0.000 0.000 0.209 355 G C 1.261 176.017 174.900 -0.240 0.000 1.165 355 G CA -0.121 44.736 45.100 -0.405 0.000 0.776 355 G HN 0.418 nan 8.290 nan 0.000 0.541 356 I N 0.574 121.067 120.570 -0.128 0.000 2.703 356 I HA 0.027 4.197 4.170 -0.000 0.000 0.259 356 I C 2.695 178.774 176.117 -0.064 0.000 1.151 356 I CA 0.492 61.741 61.300 -0.085 0.000 1.470 356 I CB -0.275 37.695 38.000 -0.051 0.000 1.112 356 I HN -0.012 nan 8.210 nan 0.000 0.437 357 V N 1.415 121.305 119.914 -0.038 0.000 2.255 357 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 357 V C 2.479 178.565 176.094 -0.014 0.000 1.051 357 V CA 1.627 63.926 62.300 -0.001 0.000 1.018 357 V CB -0.566 31.314 31.823 0.095 0.000 0.641 357 V HN 0.325 nan 8.190 nan 0.000 0.445 358 L N 0.048 121.254 121.223 -0.028 0.000 2.456 358 L HA -0.079 4.261 4.340 -0.000 0.000 0.224 358 L C 2.510 179.366 176.870 -0.023 0.000 1.148 358 L CA 0.900 55.715 54.840 -0.042 0.000 0.825 358 L CB -0.729 41.237 42.059 -0.155 0.000 0.937 358 L HN 0.364 nan 8.230 nan 0.000 0.450 359 A N -0.399 122.389 122.820 -0.053 0.000 2.014 359 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 359 A C 1.012 178.653 177.584 0.095 0.000 1.163 359 A CA 0.521 52.567 52.037 0.015 0.000 0.652 359 A CB -0.390 18.583 19.000 -0.046 0.000 0.808 359 A HN 0.412 nan 8.150 nan 0.000 0.449 360 N N 1.486 120.179 118.700 -0.012 0.000 2.416 360 N HA 0.060 4.800 4.740 -0.000 0.000 0.265 360 N C 1.099 176.482 175.510 -0.211 0.000 1.195 360 N CA 0.677 53.664 53.050 -0.105 0.000 0.943 360 N CB 1.076 39.511 38.487 -0.087 0.000 1.115 360 N HN 0.526 nan 8.380 nan 0.000 0.481 361 S N 1.725 117.081 115.700 -0.574 0.000 2.382 361 S HA -0.213 4.257 4.470 -0.000 0.000 0.228 361 S C 2.130 176.476 174.600 -0.424 0.000 1.027 361 S CA 1.288 58.889 58.200 -0.998 0.000 0.991 361 S CB -0.358 61.850 63.200 -1.654 0.000 0.823 361 S HN 0.637 nan 8.310 nan 0.000 0.469 362 S N 3.009 118.532 115.700 -0.295 0.000 2.359 362 S HA -0.105 4.365 4.470 -0.000 0.000 0.222 362 S C 1.832 176.360 174.600 -0.121 0.000 1.038 362 S CA 1.326 59.424 58.200 -0.170 0.000 1.051 362 S CB -1.051 62.071 63.200 -0.129 0.000 0.944 362 S HN 0.378 nan 8.310 nan 0.000 0.433 363 L N 2.529 123.686 121.223 -0.110 0.000 2.201 363 L HA 0.079 4.419 4.340 -0.000 0.000 0.212 363 L C 1.911 178.747 176.870 -0.057 0.000 1.105 363 L CA 1.968 56.760 54.840 -0.081 0.000 0.775 363 L CB -0.995 41.016 42.059 -0.081 0.000 0.913 363 L HN 0.383 nan 8.230 nan 0.000 0.440 364 D N -1.160 119.217 120.400 -0.039 0.000 2.312 364 D HA -0.179 4.461 4.640 -0.000 0.000 0.211 364 D C 2.092 178.439 176.300 0.078 0.000 0.964 364 D CA 0.556 54.592 54.000 0.060 0.000 0.877 364 D CB 0.027 40.963 40.800 0.226 0.000 0.924 364 D HN 0.302 nan 8.370 nan 0.000 0.515 365 I N 0.242 120.819 120.570 0.012 0.000 2.208 365 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 365 I C 2.284 178.437 176.117 0.059 0.000 1.097 365 I CA 1.171 62.487 61.300 0.026 0.000 1.363 365 I CB -0.297 37.693 38.000 -0.015 0.000 1.051 365 I HN 0.189 nan 8.210 nan 0.000 0.413 366 V N -2.727 117.203 119.914 0.026 0.000 3.647 366 V HA 0.168 4.288 4.120 -0.000 0.000 0.279 366 V C 1.585 177.683 176.094 0.007 0.000 1.314 366 V CA 0.654 62.965 62.300 0.020 0.000 1.125 366 V CB -0.160 31.657 31.823 -0.009 0.000 0.907 366 V HN 0.307 nan 8.190 nan 0.000 0.434 367 L N -0.248 120.983 121.223 0.015 0.000 2.575 367 L HA 0.363 4.703 4.340 -0.000 0.000 0.228 367 L C 1.314 178.232 176.870 0.080 0.000 1.075 367 L CA -0.036 54.800 54.840 -0.007 0.000 0.867 367 L CB -0.280 41.728 42.059 -0.086 0.000 1.097 367 L HN 0.490 nan 8.230 nan 0.000 0.485 368 H N 1.064 120.152 119.070 0.030 0.000 3.016 368 H HA -0.119 4.437 4.556 -0.000 0.000 0.345 368 H C 0.336 175.691 175.328 0.045 0.000 1.066 368 H CA 0.651 56.726 56.048 0.045 0.000 1.390 368 H CB 0.214 30.009 29.762 0.056 0.000 1.344 368 H HN 0.111 nan 8.280 nan 0.000 0.605 369 D N 1.932 121.863 120.400 -0.782 0.000 2.708 369 D HA -0.207 4.433 4.640 -0.000 0.000 0.236 369 D C -0.433 175.733 176.300 -0.223 0.000 1.146 369 D CA 1.470 55.127 54.000 -0.572 0.000 0.662 369 D CB -0.833 39.551 40.800 -0.694 0.000 1.059 369 D HN 0.791 nan 8.370 nan 0.000 0.428 370 T N -4.125 110.360 114.554 -0.116 0.000 2.831 370 T HA 0.400 4.750 4.350 -0.000 0.000 0.287 370 T C 0.919 175.617 174.700 -0.004 0.000 1.070 370 T CA -0.732 61.346 62.100 -0.036 0.000 1.010 370 T CB 0.865 69.732 68.868 -0.001 0.000 1.264 370 T HN -0.108 nan 8.240 nan 0.000 0.532 371 Y N -0.294 119.938 120.300 -0.114 0.000 2.632 371 Y HA 0.114 4.664 4.550 -0.000 0.000 0.301 371 Y C 1.895 177.733 175.900 -0.104 0.000 1.172 371 Y CA 0.259 58.286 58.100 -0.121 0.000 1.328 371 Y CB -0.618 37.740 38.460 -0.169 0.000 1.016 371 Y HN 0.787 nan 8.280 nan 0.000 0.529 372 Y N -0.463 119.780 120.300 -0.095 0.000 2.220 372 Y HA -0.171 4.379 4.550 -0.000 0.000 0.291 372 Y C 2.490 178.280 175.900 -0.182 0.000 1.129 372 Y CA 1.552 59.558 58.100 -0.158 0.000 1.161 372 Y CB -0.425 37.978 38.460 -0.094 0.000 0.997 372 Y HN -0.009 nan 8.280 nan 0.000 0.522 373 V N -1.147 118.776 119.914 0.015 0.000 2.809 373 V HA -0.110 4.010 4.120 -0.000 0.000 0.256 373 V C 1.755 177.748 176.094 -0.169 0.000 1.080 373 V CA 1.720 64.023 62.300 0.005 0.000 1.102 373 V CB -0.816 31.096 31.823 0.149 0.000 0.705 373 V HN 0.228 nan 8.190 nan 0.000 0.475 374 V N 1.012 120.697 119.914 -0.381 0.000 2.548 374 V HA -0.053 4.067 4.120 -0.000 0.000 0.249 374 V C 3.036 178.678 176.094 -0.753 0.000 1.055 374 V CA 1.838 63.672 62.300 -0.777 0.000 1.065 374 V CB -1.162 30.224 31.823 -0.728 0.000 0.681 374 V HN 0.671 nan 8.190 nan 0.000 0.462 375 A N 0.162 122.643 122.820 -0.566 0.000 1.855 375 A HA -0.278 4.042 4.320 -0.000 0.000 0.215 375 A C 2.124 179.371 177.584 -0.562 0.000 1.191 375 A CA 2.206 53.878 52.037 -0.608 0.000 0.613 375 A CB -0.921 17.380 19.000 -1.166 0.000 0.829 375 A HN 0.730 nan 8.150 nan 0.000 0.442 376 H N 0.275 118.949 119.070 -0.661 0.000 2.265 376 H HA -0.257 4.299 4.556 -0.000 0.000 0.293 376 H C 1.642 176.797 175.328 -0.288 0.000 1.089 376 H CA 2.792 58.565 56.048 -0.458 0.000 1.244 376 H CB -0.735 28.823 29.762 -0.339 0.000 1.355 376 H HN 0.608 nan 8.280 nan 0.000 0.485 377 F N -1.467 118.197 119.950 -0.477 0.000 2.558 377 F HA 0.103 4.630 4.527 -0.000 0.000 0.298 377 F C 1.828 177.268 175.800 -0.602 0.000 1.119 377 F CA 0.872 58.500 58.000 -0.621 0.000 1.451 377 F CB -0.881 37.886 39.000 -0.390 0.000 1.091 377 F HN 0.176 nan 8.300 nan 0.000 0.563 378 H N -1.640 116.955 119.070 -0.793 0.000 2.502 378 H HA 0.014 4.570 4.556 -0.000 0.000 0.283 378 H C 1.392 176.304 175.328 -0.694 0.000 1.015 378 H CA 1.689 57.181 56.048 -0.927 0.000 1.298 378 H CB -0.306 28.286 29.762 -1.950 0.000 1.411 378 H HN 0.251 nan 8.280 nan 0.000 0.556 379 Y N -0.105 119.845 120.300 -0.583 0.000 2.184 379 Y HA -0.175 4.375 4.550 -0.000 0.000 0.290 379 Y C 2.531 178.189 175.900 -0.403 0.000 1.129 379 Y CA 1.354 59.188 58.100 -0.444 0.000 1.144 379 Y CB -0.383 37.853 38.460 -0.373 0.000 0.995 379 Y HN 0.166 nan 8.280 nan 0.000 0.513 380 V N -2.477 117.284 119.914 -0.255 0.000 2.871 380 V HA -0.095 4.025 4.120 -0.000 0.000 0.256 380 V C 1.610 177.615 176.094 -0.148 0.000 1.082 380 V CA 1.293 63.487 62.300 -0.177 0.000 1.105 380 V CB -0.682 31.018 31.823 -0.205 0.000 0.713 380 V HN 0.329 nan 8.190 nan 0.000 0.473 381 L N -0.165 120.913 121.223 -0.241 0.000 2.262 381 L HA 0.152 4.492 4.340 -0.000 0.000 0.197 381 L C 2.742 179.509 176.870 -0.172 0.000 1.073 381 L CA 1.242 55.953 54.840 -0.215 0.000 0.800 381 L CB -0.607 41.276 42.059 -0.293 0.000 0.987 381 L HN 0.156 nan 8.230 nan 0.000 0.470 382 S N 0.280 115.834 115.700 -0.243 0.000 2.428 382 S HA 0.027 4.497 4.470 -0.000 0.000 0.230 382 S C 1.316 175.850 174.600 -0.111 0.000 1.014 382 S CA 1.065 59.203 58.200 -0.103 0.000 0.957 382 S CB 0.037 63.217 63.200 -0.033 0.000 0.784 382 S HN 0.377 nan 8.310 nan 0.000 0.499 383 M N -1.078 118.301 119.600 -0.368 0.000 2.911 383 M HA 0.500 4.980 4.480 -0.000 0.000 0.381 383 M C 0.648 176.615 176.300 -0.555 0.000 1.287 383 M CA -0.256 54.534 55.300 -0.851 0.000 0.858 383 M CB 0.699 32.612 32.600 -1.145 0.000 1.385 383 M HN 0.133 nan 8.290 nan 0.000 0.504 384 G N 0.681 109.399 108.800 -0.137 0.000 2.579 384 G HA2 0.416 4.376 3.960 -0.000 0.000 0.160 384 G HA3 0.416 4.376 3.960 -0.000 0.000 0.160 384 G C 0.988 176.117 174.900 0.382 0.000 1.386 384 G CA 0.561 45.667 45.100 0.011 0.000 0.713 384 G HN 0.317 nan 8.290 nan 0.000 0.688 385 A N 0.421 123.356 122.820 0.191 0.000 1.865 385 A HA 0.078 4.398 4.320 -0.000 0.000 0.217 385 A C 2.497 180.176 177.584 0.158 0.000 1.191 385 A CA 2.463 54.588 52.037 0.146 0.000 0.623 385 A CB -0.940 18.061 19.000 0.002 0.000 0.826 385 A HN 0.580 nan 8.150 nan 0.000 0.444 386 V N -1.284 118.719 119.914 0.148 0.000 2.490 386 V HA -0.196 3.924 4.120 -0.000 0.000 0.250 386 V C 2.269 178.515 176.094 0.253 0.000 1.061 386 V CA 1.699 64.096 62.300 0.161 0.000 1.064 386 V CB -0.932 30.988 31.823 0.162 0.000 0.670 386 V HN 0.516 nan 8.190 nan 0.000 0.461 387 F N 0.734 120.778 119.950 0.156 0.000 2.206 387 F HA 0.016 4.543 4.527 -0.000 0.000 0.298 387 F C 2.350 178.235 175.800 0.142 0.000 1.090 387 F CA 0.736 58.908 58.000 0.286 0.000 1.323 387 F CB -1.055 38.298 39.000 0.588 0.000 1.028 387 F HN 0.108 nan 8.300 nan 0.000 0.492 388 A N 0.311 123.315 122.820 0.307 0.000 1.873 388 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 388 A C 2.340 179.870 177.584 -0.090 0.000 1.186 388 A CA 1.410 53.445 52.037 -0.004 0.000 0.616 388 A CB -1.053 17.879 19.000 -0.113 0.000 0.823 388 A HN 0.310 nan 8.150 nan 0.000 0.442 389 I N -0.479 120.062 120.570 -0.048 0.000 2.194 389 I HA -0.328 3.842 4.170 -0.000 0.000 0.246 389 I C 2.591 178.658 176.117 -0.083 0.000 1.093 389 I CA 1.443 62.712 61.300 -0.050 0.000 1.355 389 I CB -0.331 37.691 38.000 0.037 0.000 1.046 389 I HN 0.330 nan 8.210 nan 0.000 0.413 390 M N -0.032 119.371 119.600 -0.327 0.000 2.156 390 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 390 M C 2.435 178.438 176.300 -0.496 0.000 1.067 390 M CA 1.736 56.661 55.300 -0.624 0.000 1.131 390 M CB -1.843 29.720 32.600 -1.729 0.000 1.368 390 M HN 0.272 nan 8.290 nan 0.000 0.416 391 G N 0.248 108.805 108.800 -0.405 0.000 2.459 391 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 391 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 391 G C 1.579 176.443 174.900 -0.060 0.000 1.183 391 G CA 1.130 46.180 45.100 -0.083 0.000 0.776 391 G HN 0.538 nan 8.290 nan 0.000 0.552 392 G N 0.148 108.890 108.800 -0.098 0.000 2.450 392 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.220 392 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.220 392 G C 1.628 176.737 174.900 0.349 0.000 1.130 392 G CA 1.011 46.104 45.100 -0.011 0.000 0.760 392 G HN 0.383 nan 8.290 nan 0.000 0.557 393 F N 1.813 121.909 119.950 0.242 0.000 2.128 393 F HA -0.072 4.455 4.527 -0.000 0.000 0.295 393 F C 2.687 178.654 175.800 0.280 0.000 1.100 393 F CA 1.756 60.051 58.000 0.491 0.000 1.260 393 F CB -0.341 38.871 39.000 0.354 0.000 1.009 393 F HN 0.057 nan 8.300 nan 0.000 0.476 394 V N -1.618 118.396 119.914 0.168 0.000 2.970 394 V HA -0.162 3.958 4.120 -0.000 0.000 0.260 394 V C 2.227 178.341 176.094 0.033 0.000 1.100 394 V CA 2.171 64.486 62.300 0.025 0.000 1.122 394 V CB -1.479 30.434 31.823 0.151 0.000 0.721 394 V HN 0.543 nan 8.190 nan 0.000 0.483 395 H N -0.776 118.244 119.070 -0.084 0.000 2.343 395 H HA 0.019 4.575 4.556 -0.000 0.000 0.303 395 H C 1.706 176.902 175.328 -0.221 0.000 1.068 395 H CA 2.018 57.931 56.048 -0.225 0.000 1.359 395 H CB -0.006 29.436 29.762 -0.534 0.000 1.402 395 H HN 0.507 nan 8.280 nan 0.000 0.515 396 W N -0.144 121.057 121.300 -0.165 0.000 3.316 396 W HA 0.066 4.726 4.660 -0.000 0.000 0.327 396 W C 1.113 177.061 176.519 -0.952 0.000 1.232 396 W CA -0.441 56.523 57.345 -0.635 0.000 1.805 396 W CB -0.572 28.404 29.460 -0.806 0.000 1.090 396 W HN 0.224 nan 8.180 nan 0.000 0.654 397 F N 2.890 122.526 119.950 -0.523 0.000 2.091 397 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 397 F C -0.781 174.777 175.800 -0.403 0.000 1.103 397 F CA 1.555 59.227 58.000 -0.548 0.000 1.228 397 F CB -1.573 37.067 39.000 -0.601 0.000 0.984 397 F HN -0.245 nan 8.300 nan 0.000 0.477 398 P HA -0.177 nan 4.420 nan 0.000 0.216 398 P C 1.913 179.039 177.300 -0.290 0.000 1.150 398 P CA 1.354 64.300 63.100 -0.258 0.000 0.837 398 P CB -0.134 31.573 31.700 0.011 0.000 0.786 399 L N -1.432 119.544 121.223 -0.412 0.000 2.017 399 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 399 L C 1.987 178.522 176.870 -0.560 0.000 1.073 399 L CA 2.089 56.566 54.840 -0.605 0.000 0.745 399 L CB -1.452 39.909 42.059 -1.163 0.000 0.894 399 L HN -0.154 nan 8.230 nan 0.000 0.432 400 F N 0.047 119.569 119.950 -0.713 0.000 2.075 400 F HA -0.132 4.395 4.527 -0.000 0.000 0.297 400 F C 2.897 178.441 175.800 -0.427 0.000 1.113 400 F CA 1.311 58.790 58.000 -0.868 0.000 1.218 400 F CB -1.772 36.703 39.000 -0.876 0.000 0.984 400 F HN 0.364 nan 8.300 nan 0.000 0.472 401 S N -1.264 114.202 115.700 -0.389 0.000 2.421 401 S HA 0.357 4.827 4.470 -0.000 0.000 0.224 401 S C 1.975 176.281 174.600 -0.489 0.000 1.035 401 S CA 0.710 58.663 58.200 -0.412 0.000 0.953 401 S CB -0.007 62.704 63.200 -0.815 0.000 0.810 401 S HN 0.613 nan 8.310 nan 0.000 0.497 402 G N -0.307 108.210 108.800 -0.472 0.000 2.213 402 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.236 402 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.236 402 G C -0.200 174.461 174.900 -0.399 0.000 0.991 402 G CA 0.211 45.059 45.100 -0.421 0.000 0.629 402 G HN 0.494 nan 8.290 nan 0.000 0.517 403 Y N 1.491 121.631 120.300 -0.268 0.000 2.528 403 Y HA 0.697 5.247 4.550 -0.000 0.000 0.335 403 Y C 0.987 176.781 175.900 -0.176 0.000 1.093 403 Y CA -0.780 57.189 58.100 -0.219 0.000 1.134 403 Y CB 1.550 39.842 38.460 -0.280 0.000 1.253 403 Y HN 0.294 nan 8.280 nan 0.000 0.478 404 T N -0.081 114.549 114.554 0.128 0.000 2.945 404 T HA 0.774 5.124 4.350 -0.000 0.000 0.286 404 T C -0.367 174.417 174.700 0.140 0.000 1.025 404 T CA -0.907 61.266 62.100 0.121 0.000 1.039 404 T CB 0.963 69.869 68.868 0.063 0.000 1.068 404 T HN 0.446 nan 8.240 nan 0.000 0.497 405 L N 1.753 123.053 121.223 0.128 0.000 2.416 405 L HA 0.430 4.770 4.340 -0.000 0.000 0.262 405 L C 0.982 177.880 176.870 0.045 0.000 1.093 405 L CA -1.155 53.693 54.840 0.014 0.000 0.801 405 L CB 0.562 42.577 42.059 -0.073 0.000 1.191 405 L HN 0.705 nan 8.230 nan 0.000 0.459 406 N N 1.043 119.786 118.700 0.071 0.000 2.448 406 N HA -0.030 4.710 4.740 -0.000 0.000 0.250 406 N C 0.214 175.825 175.510 0.167 0.000 1.136 406 N CA -0.049 53.092 53.050 0.151 0.000 0.953 406 N CB 0.815 39.488 38.487 0.310 0.000 1.251 406 N HN 0.533 nan 8.380 nan 0.000 0.502 407 D N 1.941 122.404 120.400 0.106 0.000 2.203 407 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 407 D C 1.151 177.508 176.300 0.095 0.000 0.997 407 D CA 1.645 55.702 54.000 0.093 0.000 0.863 407 D CB 0.258 41.093 40.800 0.058 0.000 0.928 407 D HN 0.544 nan 8.370 nan 0.000 0.458 408 T N -1.258 113.331 114.554 0.059 0.000 2.770 408 T HA -0.117 4.232 4.350 -0.000 0.000 0.263 408 T C 1.758 176.495 174.700 0.062 0.000 1.039 408 T CA 0.748 62.840 62.100 -0.012 0.000 1.142 408 T CB -0.508 68.272 68.868 -0.148 0.000 0.868 408 T HN 0.343 nan 8.240 nan 0.000 0.435 409 W N 1.476 122.840 121.300 0.106 0.000 2.358 409 W HA -0.044 4.616 4.660 -0.000 0.000 0.303 409 W C 2.865 179.488 176.519 0.173 0.000 1.208 409 W CA 0.514 57.950 57.345 0.152 0.000 1.274 409 W CB -0.274 29.275 29.460 0.147 0.000 1.138 409 W HN 0.214 nan 8.180 nan 0.000 0.515 410 A N 0.375 123.432 122.820 0.395 0.000 1.978 410 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 410 A C 1.818 179.614 177.584 0.354 0.000 1.170 410 A CA 1.928 54.172 52.037 0.346 0.000 0.636 410 A CB -0.546 18.599 19.000 0.242 0.000 0.810 410 A HN 0.334 nan 8.150 nan 0.000 0.448 411 K N -0.755 119.785 120.400 0.233 0.000 2.186 411 K HA 0.162 4.482 4.320 -0.000 0.000 0.202 411 K C 1.738 178.463 176.600 0.209 0.000 1.052 411 K CA 0.914 57.292 56.287 0.151 0.000 0.965 411 K CB -0.197 32.333 32.500 0.049 0.000 0.746 411 K HN 0.495 nan 8.250 nan 0.000 0.457 412 I N 0.899 121.614 120.570 0.240 0.000 2.179 412 I HA -0.322 3.848 4.170 -0.000 0.000 0.242 412 I C 2.673 178.978 176.117 0.313 0.000 1.088 412 I CA 1.346 62.792 61.300 0.243 0.000 1.357 412 I CB -0.442 37.730 38.000 0.286 0.000 1.051 412 I HN 0.348 nan 8.210 nan 0.000 0.409 413 H N 0.663 119.916 119.070 0.305 0.000 2.352 413 H HA -0.285 4.271 4.556 -0.000 0.000 0.299 413 H C 2.288 177.777 175.328 0.269 0.000 1.097 413 H CA 2.263 58.496 56.048 0.308 0.000 1.311 413 H CB -0.111 29.872 29.762 0.369 0.000 1.377 413 H HN 0.331 nan 8.280 nan 0.000 0.504 414 F N 1.333 121.257 119.950 -0.043 0.000 2.084 414 F HA -0.109 4.418 4.527 -0.000 0.000 0.296 414 F C 2.726 178.359 175.800 -0.279 0.000 1.111 414 F CA 1.726 59.438 58.000 -0.480 0.000 1.224 414 F CB -0.914 37.635 39.000 -0.752 0.000 0.991 414 F HN 0.211 nan 8.300 nan 0.000 0.471 415 A N 1.037 123.821 122.820 -0.059 0.000 1.903 415 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 415 A C 2.286 179.814 177.584 -0.093 0.000 1.191 415 A CA 2.497 54.476 52.037 -0.097 0.000 0.638 415 A CB -1.437 17.589 19.000 0.043 0.000 0.823 415 A HN 0.561 nan 8.150 nan 0.000 0.451 416 I N -1.745 118.813 120.570 -0.019 0.000 2.090 416 I HA -0.277 3.893 4.170 -0.000 0.000 0.236 416 I C 2.637 178.743 176.117 -0.020 0.000 1.064 416 I CA 1.997 63.310 61.300 0.023 0.000 1.324 416 I CB -0.317 37.743 38.000 0.100 0.000 1.044 416 I HN 0.448 nan 8.210 nan 0.000 0.399 417 M N 0.279 119.833 119.600 -0.076 0.000 2.195 417 M HA -0.276 4.204 4.480 -0.000 0.000 0.260 417 M C 1.980 178.269 176.300 -0.019 0.000 1.066 417 M CA 1.867 57.147 55.300 -0.034 0.000 1.089 417 M CB -0.482 32.095 32.600 -0.038 0.000 1.377 417 M HN 0.182 nan 8.290 nan 0.000 0.411 418 F N -0.550 119.182 119.950 -0.363 0.000 2.051 418 F HA -0.172 4.355 4.527 -0.000 0.000 0.296 418 F C 1.996 177.725 175.800 -0.119 0.000 1.122 418 F CA 1.940 59.757 58.000 -0.305 0.000 1.201 418 F CB -0.765 37.855 39.000 -0.635 0.000 0.978 418 F HN -0.037 nan 8.300 nan 0.000 0.472 419 V N 0.318 120.226 119.914 -0.011 0.000 2.233 419 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 419 V C 2.759 178.813 176.094 -0.068 0.000 1.050 419 V CA 2.025 64.305 62.300 -0.033 0.000 1.010 419 V CB -1.761 30.081 31.823 0.031 0.000 0.637 419 V HN 0.542 nan 8.190 nan 0.000 0.444 420 G N 0.709 109.492 108.800 -0.028 0.000 2.631 420 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.219 420 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.219 420 G C 1.782 176.640 174.900 -0.070 0.000 1.214 420 G CA 2.486 47.573 45.100 -0.022 0.000 0.785 420 G HN 0.654 nan 8.290 nan 0.000 0.596 421 V N -0.349 119.534 119.914 -0.053 0.000 2.287 421 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 421 V C 2.313 178.331 176.094 -0.126 0.000 1.053 421 V CA 2.437 64.714 62.300 -0.038 0.000 1.027 421 V CB -0.852 30.993 31.823 0.035 0.000 0.646 421 V HN 0.354 nan 8.190 nan 0.000 0.447 422 N N 0.060 118.604 118.700 -0.261 0.000 2.166 422 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 422 N C 1.853 177.329 175.510 -0.057 0.000 1.019 422 N CA 2.312 55.218 53.050 -0.239 0.000 0.856 422 N CB -0.290 37.963 38.487 -0.389 0.000 0.993 422 N HN 0.663 nan 8.380 nan 0.000 0.426 423 M N 0.842 120.401 119.600 -0.068 0.000 2.077 423 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 423 M C 1.864 178.131 176.300 -0.056 0.000 1.070 423 M CA 1.346 56.643 55.300 -0.006 0.000 1.125 423 M CB -0.259 32.340 32.600 -0.001 0.000 1.339 423 M HN -0.038 nan 8.290 nan 0.000 0.409 424 T N 0.718 115.153 114.554 -0.197 0.000 2.635 424 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 424 T C 1.191 175.553 174.700 -0.563 0.000 1.040 424 T CA 1.994 63.821 62.100 -0.456 0.000 1.156 424 T CB -0.472 67.898 68.868 -0.830 0.000 0.863 424 T HN 0.393 nan 8.240 nan 0.000 0.430 425 F N -0.675 119.255 119.950 -0.034 0.000 2.714 425 F HA 0.365 4.892 4.527 -0.000 0.000 0.294 425 F C 1.676 177.547 175.800 0.118 0.000 1.120 425 F CA -1.130 56.864 58.000 -0.011 0.000 1.398 425 F CB -0.537 38.449 39.000 -0.023 0.000 1.120 425 F HN 0.029 nan 8.300 nan 0.000 0.589 426 F N 2.663 122.690 119.950 0.128 0.000 2.075 426 F HA -0.031 4.496 4.527 -0.000 0.000 0.297 426 F C -0.719 174.966 175.800 -0.192 0.000 1.113 426 F CA 0.874 58.929 58.000 0.092 0.000 1.218 426 F CB -1.757 37.252 39.000 0.015 0.000 0.984 426 F HN -0.125 nan 8.300 nan 0.000 0.472 427 P HA -0.205 nan 4.420 nan 0.000 0.216 427 P C 1.297 178.300 177.300 -0.495 0.000 1.150 427 P CA 1.926 64.701 63.100 -0.541 0.000 0.837 427 P CB -0.265 31.360 31.700 -0.125 0.000 0.786 428 Q N -1.695 117.944 119.800 -0.269 0.000 2.376 428 Q HA -0.233 4.107 4.340 -0.000 0.000 0.211 428 Q C 1.716 177.546 176.000 -0.284 0.000 0.986 428 Q CA 1.242 56.942 55.803 -0.172 0.000 0.886 428 Q CB -0.763 27.966 28.738 -0.014 0.000 0.927 428 Q HN 0.549 nan 8.270 nan 0.000 0.457 429 H N -1.009 117.744 119.070 -0.528 0.000 2.423 429 H HA -0.100 4.456 4.556 -0.000 0.000 0.297 429 H C 1.309 176.480 175.328 -0.262 0.000 1.075 429 H CA 1.425 57.202 56.048 -0.451 0.000 1.342 429 H CB 0.130 29.409 29.762 -0.806 0.000 1.395 429 H HN 0.201 nan 8.280 nan 0.000 0.530 430 F N 0.062 119.894 119.950 -0.196 0.000 2.094 430 F HA -0.048 4.479 4.527 -0.000 0.000 0.291 430 F C 2.178 177.950 175.800 -0.047 0.000 1.109 430 F CA 0.584 58.471 58.000 -0.187 0.000 1.221 430 F CB -1.079 37.621 39.000 -0.500 0.000 1.014 430 F HN 0.017 nan 8.300 nan 0.000 0.473 431 L N 0.019 121.317 121.223 0.124 0.000 2.211 431 L HA -0.236 4.104 4.340 -0.000 0.000 0.216 431 L C 2.462 179.290 176.870 -0.070 0.000 1.092 431 L CA 1.477 56.312 54.840 -0.008 0.000 0.767 431 L CB -1.205 40.733 42.059 -0.202 0.000 0.894 431 L HN 0.360 nan 8.230 nan 0.000 0.437 432 G N -1.102 107.722 108.800 0.040 0.000 2.545 432 G HA2 0.016 3.976 3.960 -0.000 0.000 0.212 432 G HA3 0.016 3.976 3.960 -0.000 0.000 0.212 432 G C 1.568 176.481 174.900 0.023 0.000 1.144 432 G CA -0.110 45.026 45.100 0.060 0.000 0.813 432 G HN 0.182 nan 8.290 nan 0.000 0.531 433 L N 1.633 122.878 121.223 0.037 0.000 2.072 433 L HA -0.010 4.330 4.340 -0.000 0.000 0.205 433 L C 2.802 179.700 176.870 0.047 0.000 1.079 433 L CA 1.353 56.180 54.840 -0.021 0.000 0.752 433 L CB -0.230 41.835 42.059 0.009 0.000 0.906 433 L HN 0.348 nan 8.230 nan 0.000 0.436 434 S N -0.312 115.463 115.700 0.126 0.000 2.851 434 S HA 0.134 4.604 4.470 -0.000 0.000 0.227 434 S C 1.457 176.201 174.600 0.239 0.000 0.958 434 S CA 0.323 58.645 58.200 0.203 0.000 0.990 434 S CB -0.258 63.138 63.200 0.326 0.000 0.790 434 S HN 0.595 nan 8.310 nan 0.000 0.509 435 G N 1.115 109.976 108.800 0.103 0.000 2.205 435 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.261 435 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.261 435 G C 0.047 174.904 174.900 -0.072 0.000 0.980 435 G CA 0.267 45.413 45.100 0.077 0.000 0.632 435 G HN 0.667 nan 8.290 nan 0.000 0.533 436 M N 2.414 121.752 119.600 -0.435 0.000 2.356 436 M HA 0.322 4.802 4.480 -0.000 0.000 0.348 436 M C -1.864 174.234 176.300 -0.337 0.000 1.595 436 M CA -1.140 53.732 55.300 -0.713 0.000 1.095 436 M CB 0.506 32.383 32.600 -1.204 0.000 1.963 436 M HN 0.033 nan 8.290 nan 0.000 0.459 437 P HA 0.178 nan 4.420 nan 0.000 0.273 437 P C -1.110 176.023 177.300 -0.278 0.000 1.250 437 P CA -0.138 62.700 63.100 -0.437 0.000 0.793 437 P CB 0.515 31.684 31.700 -0.884 0.000 1.011 438 R N 0.837 121.249 120.500 -0.147 0.000 2.500 438 R HA 0.399 4.739 4.340 -0.000 0.000 0.275 438 R C 0.375 176.752 176.300 0.129 0.000 1.051 438 R CA -0.593 55.512 56.100 0.009 0.000 1.088 438 R CB 0.331 30.590 30.300 -0.068 0.000 1.063 438 R HN 0.429 nan 8.270 nan 0.000 0.511 439 R N -0.011 120.656 120.500 0.279 0.000 3.651 439 R HA -0.193 4.147 4.340 -0.000 0.000 0.292 439 R C -1.181 175.457 176.300 0.563 0.000 1.161 439 R CA 0.657 57.006 56.100 0.416 0.000 0.787 439 R CB -1.630 28.836 30.300 0.276 0.000 1.249 439 R HN 0.407 nan 8.270 nan 0.000 0.476 440 Y N -0.055 120.367 120.300 0.204 0.000 2.341 440 Y HA 0.214 4.764 4.550 -0.000 0.000 0.337 440 Y C 1.508 177.216 175.900 -0.321 0.000 1.014 440 Y CA -1.399 56.706 58.100 0.009 0.000 1.111 440 Y CB 1.854 40.351 38.460 0.062 0.000 1.194 440 Y HN 0.121 nan 8.280 nan 0.000 0.462 441 S N -0.087 115.329 115.700 -0.473 0.000 2.603 441 S HA 0.089 4.559 4.470 -0.000 0.000 0.220 441 S C -0.013 174.417 174.600 -0.284 0.000 0.967 441 S CA 0.381 58.089 58.200 -0.821 0.000 0.920 441 S CB 0.028 62.861 63.200 -0.613 0.000 0.773 441 S HN 0.666 nan 8.310 nan 0.000 0.529 442 D N -0.552 119.798 120.400 -0.083 0.000 2.648 442 D HA 0.435 5.075 4.640 -0.000 0.000 0.244 442 D C -1.668 174.730 176.300 0.163 0.000 1.244 442 D CA -0.665 53.303 54.000 -0.054 0.000 0.772 442 D CB 1.494 42.187 40.800 -0.178 0.000 1.379 442 D HN 0.216 nan 8.370 nan 0.000 0.428 443 Y N -1.588 118.774 120.300 0.103 0.000 2.581 443 Y HA 0.779 5.329 4.550 -0.000 0.000 0.345 443 Y C -2.665 173.351 175.900 0.193 0.000 1.036 443 Y CA -2.554 55.684 58.100 0.229 0.000 1.042 443 Y CB -0.058 38.549 38.460 0.246 0.000 1.289 443 Y HN 0.020 nan 8.280 nan 0.000 0.471 444 P HA 0.060 nan 4.420 nan 0.000 0.266 444 P C 0.159 177.494 177.300 0.058 0.000 1.195 444 P CA 0.240 63.403 63.100 0.103 0.000 0.768 444 P CB 0.815 32.538 31.700 0.039 0.000 0.838 445 D N 2.239 122.615 120.400 -0.041 0.000 2.220 445 D HA -0.238 4.402 4.640 -0.000 0.000 0.198 445 D C 1.835 178.114 176.300 -0.036 0.000 1.001 445 D CA 1.923 55.903 54.000 -0.034 0.000 0.875 445 D CB -0.520 40.239 40.800 -0.069 0.000 0.921 445 D HN 0.401 nan 8.370 nan 0.000 0.454 446 A N 0.313 123.014 122.820 -0.198 0.000 1.948 446 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 446 A C 1.583 179.043 177.584 -0.207 0.000 1.177 446 A CA 1.130 52.992 52.037 -0.292 0.000 0.636 446 A CB -0.968 17.745 19.000 -0.477 0.000 0.815 446 A HN 0.272 nan 8.150 nan 0.000 0.449 447 Y N 0.700 121.051 120.300 0.085 0.000 2.578 447 Y HA 0.014 4.564 4.550 -0.000 0.000 0.297 447 Y C 2.468 178.321 175.900 -0.078 0.000 1.176 447 Y CA 0.487 58.580 58.100 -0.011 0.000 1.315 447 Y CB -1.456 36.965 38.460 -0.064 0.000 1.031 447 Y HN 0.237 nan 8.280 nan 0.000 0.524 448 T N 0.050 114.750 114.554 0.243 0.000 2.684 448 T HA -0.304 4.046 4.350 -0.000 0.000 0.267 448 T C 2.102 176.816 174.700 0.023 0.000 1.036 448 T CA 1.723 63.973 62.100 0.250 0.000 1.148 448 T CB -0.248 68.729 68.868 0.180 0.000 0.863 448 T HN 0.407 nan 8.240 nan 0.000 0.436 449 M N -0.445 119.066 119.600 -0.148 0.000 2.084 449 M HA -0.135 4.345 4.480 -0.000 0.000 0.259 449 M C 2.085 178.356 176.300 -0.048 0.000 1.072 449 M CA 1.990 57.150 55.300 -0.232 0.000 1.107 449 M CB -0.336 31.927 32.600 -0.562 0.000 1.299 449 M HN 0.431 nan 8.290 nan 0.000 0.413 450 W N 0.419 121.722 121.300 0.004 0.000 2.321 450 W HA -0.229 4.431 4.660 -0.000 0.000 0.306 450 W C 2.154 178.624 176.519 -0.082 0.000 1.217 450 W CA 0.314 57.658 57.345 -0.002 0.000 1.257 450 W CB -0.775 28.707 29.460 0.037 0.000 1.145 450 W HN 0.364 nan 8.180 nan 0.000 0.509 451 N N -0.350 118.365 118.700 0.025 0.000 2.309 451 N HA -0.097 4.643 4.740 -0.000 0.000 0.182 451 N C 1.519 177.029 175.510 0.000 0.000 1.018 451 N CA 1.618 54.593 53.050 -0.126 0.000 0.876 451 N CB -0.354 37.850 38.487 -0.473 0.000 0.972 451 N HN 0.120 nan 8.380 nan 0.000 0.434 452 T N 1.507 116.090 114.554 0.047 0.000 2.812 452 T HA 0.106 4.456 4.350 -0.000 0.000 0.264 452 T C 2.106 176.846 174.700 0.066 0.000 1.042 452 T CA 0.410 62.544 62.100 0.057 0.000 1.140 452 T CB 0.138 69.032 68.868 0.044 0.000 0.870 452 T HN 0.142 nan 8.240 nan 0.000 0.445 453 I N 0.862 121.500 120.570 0.113 0.000 2.252 453 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 453 I C 2.753 178.920 176.117 0.084 0.000 1.102 453 I CA 0.957 62.337 61.300 0.133 0.000 1.385 453 I CB -0.471 37.680 38.000 0.252 0.000 1.064 453 I HN 0.239 nan 8.210 nan 0.000 0.414 454 S N 0.386 116.123 115.700 0.061 0.000 2.383 454 S HA -0.184 4.286 4.470 -0.000 0.000 0.229 454 S C 2.198 176.772 174.600 -0.044 0.000 1.030 454 S CA 2.114 60.294 58.200 -0.034 0.000 1.002 454 S CB -0.183 62.975 63.200 -0.070 0.000 0.829 454 S HN 0.404 nan 8.310 nan 0.000 0.467 455 S N 1.181 116.893 115.700 0.020 0.000 2.406 455 S HA 0.085 4.555 4.470 -0.000 0.000 0.228 455 S C 1.892 176.589 174.600 0.162 0.000 1.020 455 S CA 1.263 59.516 58.200 0.087 0.000 0.965 455 S CB -0.329 62.942 63.200 0.117 0.000 0.798 455 S HN 0.540 nan 8.310 nan 0.000 0.488 456 M N 1.034 120.687 119.600 0.089 0.000 2.117 456 M HA -0.067 4.413 4.480 -0.000 0.000 0.262 456 M C 2.547 178.922 176.300 0.125 0.000 1.065 456 M CA 1.573 56.921 55.300 0.081 0.000 1.114 456 M CB -1.131 31.488 32.600 0.032 0.000 1.361 456 M HN 0.459 nan 8.290 nan 0.000 0.408 457 G N 0.587 109.421 108.800 0.056 0.000 2.476 457 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 457 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 457 G C 1.612 176.517 174.900 0.009 0.000 1.164 457 G CA 1.507 46.611 45.100 0.007 0.000 0.768 457 G HN 0.574 nan 8.290 nan 0.000 0.560 458 S N -0.187 115.512 115.700 -0.002 0.000 2.440 458 S HA -0.036 4.434 4.470 -0.000 0.000 0.238 458 S C 2.043 176.628 174.600 -0.025 0.000 1.010 458 S CA 1.150 59.326 58.200 -0.039 0.000 0.972 458 S CB -0.458 62.705 63.200 -0.062 0.000 0.774 458 S HN 0.207 nan 8.310 nan 0.000 0.501 459 F N 1.474 121.413 119.950 -0.019 0.000 2.234 459 F HA 0.326 4.853 4.527 -0.000 0.000 0.296 459 F C 2.128 177.937 175.800 0.016 0.000 1.089 459 F CA 0.322 58.325 58.000 0.004 0.000 1.343 459 F CB -0.321 38.684 39.000 0.008 0.000 1.040 459 F HN 0.183 nan 8.300 nan 0.000 0.498 460 I N -1.039 119.627 120.570 0.160 0.000 2.226 460 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 460 I C 2.345 178.507 176.117 0.075 0.000 1.100 460 I CA 1.245 62.608 61.300 0.106 0.000 1.374 460 I CB -0.666 37.380 38.000 0.077 0.000 1.057 460 I HN 0.004 nan 8.210 nan 0.000 0.413 461 S N 1.003 116.731 115.700 0.047 0.000 2.370 461 S HA -0.199 4.271 4.470 -0.000 0.000 0.226 461 S C 1.959 176.589 174.600 0.049 0.000 1.033 461 S CA 1.357 59.589 58.200 0.052 0.000 1.011 461 S CB -0.481 62.742 63.200 0.039 0.000 0.852 461 S HN 0.329 nan 8.310 nan 0.000 0.457 462 L N 1.739 122.955 121.223 -0.011 0.000 2.012 462 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 462 L C 2.320 179.206 176.870 0.027 0.000 1.073 462 L CA 1.905 56.722 54.840 -0.040 0.000 0.748 462 L CB -1.242 40.718 42.059 -0.166 0.000 0.891 462 L HN 0.218 nan 8.230 nan 0.000 0.431 463 T N -0.110 114.479 114.554 0.058 0.000 2.720 463 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 463 T C 1.905 176.688 174.700 0.138 0.000 1.037 463 T CA 1.446 63.601 62.100 0.092 0.000 1.144 463 T CB -0.624 68.308 68.868 0.106 0.000 0.864 463 T HN 0.567 nan 8.240 nan 0.000 0.444 464 A N 0.965 123.884 122.820 0.165 0.000 1.940 464 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 464 A C 2.623 180.417 177.584 0.351 0.000 1.176 464 A CA 1.838 54.044 52.037 0.282 0.000 0.631 464 A CB -0.985 18.123 19.000 0.181 0.000 0.814 464 A HN 0.459 nan 8.150 nan 0.000 0.446 465 V N -1.068 118.972 119.914 0.210 0.000 2.719 465 V HA -0.152 3.968 4.120 -0.000 0.000 0.252 465 V C 2.134 178.283 176.094 0.092 0.000 1.065 465 V CA 2.126 64.523 62.300 0.162 0.000 1.086 465 V CB -0.514 31.366 31.823 0.096 0.000 0.700 465 V HN 0.557 nan 8.190 nan 0.000 0.467 466 M N -0.475 119.172 119.600 0.078 0.000 2.132 466 M HA -0.044 4.436 4.480 -0.000 0.000 0.263 466 M C 2.251 178.589 176.300 0.064 0.000 1.065 466 M CA 1.963 57.291 55.300 0.047 0.000 1.122 466 M CB -0.416 32.201 32.600 0.027 0.000 1.365 466 M HN 0.337 nan 8.290 nan 0.000 0.411 467 L N 0.167 121.449 121.223 0.098 0.000 2.083 467 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 467 L C 2.672 179.567 176.870 0.040 0.000 1.083 467 L CA 1.180 56.085 54.840 0.108 0.000 0.752 467 L CB -0.262 41.919 42.059 0.203 0.000 0.899 467 L HN 0.412 nan 8.230 nan 0.000 0.433 468 M N -1.086 118.472 119.600 -0.072 0.000 2.159 468 M HA -0.203 4.277 4.480 -0.000 0.000 0.263 468 M C 2.062 178.314 176.300 -0.080 0.000 1.063 468 M CA 1.563 56.710 55.300 -0.255 0.000 1.110 468 M CB 0.030 32.459 32.600 -0.286 0.000 1.374 468 M HN 0.092 nan 8.290 nan 0.000 0.411 469 V N 0.558 120.477 119.914 0.009 0.000 2.295 469 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 469 V C 2.158 178.326 176.094 0.123 0.000 1.049 469 V CA 2.173 64.512 62.300 0.065 0.000 1.024 469 V CB -1.027 30.837 31.823 0.067 0.000 0.648 469 V HN 0.604 nan 8.190 nan 0.000 0.447 470 F N 0.669 120.604 119.950 -0.025 0.000 2.095 470 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 470 F C 2.169 177.985 175.800 0.026 0.000 1.104 470 F CA 1.632 59.633 58.000 0.000 0.000 1.232 470 F CB -0.397 38.511 39.000 -0.154 0.000 0.987 470 F HN 0.054 nan 8.300 nan 0.000 0.475 471 I N 0.298 120.675 120.570 -0.321 0.000 2.248 471 I HA -0.346 3.824 4.170 -0.000 0.000 0.248 471 I C 2.438 178.366 176.117 -0.315 0.000 1.107 471 I CA 1.668 62.705 61.300 -0.439 0.000 1.373 471 I CB -0.536 37.340 38.000 -0.207 0.000 1.055 471 I HN 0.252 nan 8.210 nan 0.000 0.418 472 I N -0.751 119.738 120.570 -0.135 0.000 2.286 472 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 472 I C 2.462 178.640 176.117 0.102 0.000 1.104 472 I CA 1.234 62.512 61.300 -0.037 0.000 1.397 472 I CB -0.396 37.693 38.000 0.148 0.000 1.072 472 I HN 0.386 nan 8.210 nan 0.000 0.417 473 W N 2.718 123.986 121.300 -0.053 0.000 2.333 473 W HA -0.316 4.344 4.660 -0.000 0.000 0.316 473 W C 2.540 178.999 176.519 -0.101 0.000 1.215 473 W CA 2.278 59.626 57.345 0.005 0.000 1.278 473 W CB -0.288 29.164 29.460 -0.012 0.000 1.154 473 W HN 0.237 nan 8.180 nan 0.000 0.486 474 E N 1.031 120.928 120.200 -0.506 0.000 2.070 474 E HA -0.252 4.098 4.350 -0.000 0.000 0.197 474 E C 2.108 178.383 176.600 -0.542 0.000 1.004 474 E CA 2.653 58.579 56.400 -0.789 0.000 0.805 474 E CB -1.103 28.136 29.700 -0.769 0.000 0.744 474 E HN 0.214 nan 8.360 nan 0.000 0.451 475 A N -0.108 122.487 122.820 -0.375 0.000 1.892 475 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 475 A C 2.079 179.447 177.584 -0.360 0.000 1.188 475 A CA 1.785 53.653 52.037 -0.281 0.000 0.631 475 A CB -1.029 17.844 19.000 -0.211 0.000 0.822 475 A HN 0.424 nan 8.150 nan 0.000 0.447 476 F N -0.517 119.336 119.950 -0.163 0.000 2.615 476 F HA 0.187 4.714 4.527 -0.000 0.000 0.297 476 F C 2.564 178.122 175.800 -0.403 0.000 1.124 476 F CA 0.278 58.162 58.000 -0.194 0.000 1.451 476 F CB -0.332 38.661 39.000 -0.012 0.000 1.103 476 F HN 0.267 nan 8.300 nan 0.000 0.569 477 A N -0.791 121.743 122.820 -0.476 0.000 1.854 477 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 477 A C 2.402 179.748 177.584 -0.396 0.000 1.192 477 A CA 1.890 53.569 52.037 -0.596 0.000 0.611 477 A CB -0.968 17.279 19.000 -1.255 0.000 0.832 477 A HN 0.239 nan 8.150 nan 0.000 0.442 478 S N -0.594 114.872 115.700 -0.389 0.000 2.371 478 S HA -0.001 4.469 4.470 -0.000 0.000 0.224 478 S C 0.278 174.703 174.600 -0.293 0.000 1.029 478 S CA 0.950 58.987 58.200 -0.272 0.000 0.978 478 S CB -0.218 62.858 63.200 -0.208 0.000 0.833 478 S HN 0.564 nan 8.310 nan 0.000 0.466 479 K N 0.879 120.994 120.400 -0.475 0.000 3.549 479 K HA -0.136 4.184 4.320 -0.000 0.000 0.275 479 K C -1.065 175.372 176.600 -0.271 0.000 1.060 479 K CA 0.241 56.101 56.287 -0.710 0.000 0.812 479 K CB -1.291 30.858 32.500 -0.586 0.000 1.374 479 K HN 0.350 nan 8.250 nan 0.000 0.455 480 R N 2.061 122.477 120.500 -0.140 0.000 2.408 480 R HA 0.109 4.449 4.340 -0.000 0.000 0.308 480 R C -0.006 176.374 176.300 0.133 0.000 1.210 480 R CA -0.312 55.791 56.100 0.005 0.000 1.115 480 R CB 0.450 30.749 30.300 -0.002 0.000 1.127 480 R HN 0.281 nan 8.270 nan 0.000 0.523 481 E N 1.681 121.989 120.200 0.181 0.000 2.392 481 E HA 0.045 4.395 4.350 -0.000 0.000 0.264 481 E C 0.135 176.784 176.600 0.082 0.000 1.024 481 E CA -0.298 56.216 56.400 0.190 0.000 0.903 481 E CB 1.024 30.819 29.700 0.160 0.000 0.963 481 E HN 0.165 nan 8.360 nan 0.000 0.432 482 V N 3.757 123.696 119.914 0.042 0.000 2.924 482 V HA -0.032 4.088 4.120 -0.000 0.000 0.305 482 V C 1.154 177.256 176.094 0.014 0.000 1.073 482 V CA 0.295 62.606 62.300 0.018 0.000 1.098 482 V CB 0.576 32.404 31.823 0.008 0.000 1.000 482 V HN 0.697 nan 8.190 nan 0.000 0.484 483 L N 1.047 122.272 121.223 0.002 0.000 2.663 483 L HA 0.278 4.618 4.340 -0.000 0.000 0.218 483 L C 0.578 177.442 176.870 -0.010 0.000 1.043 483 L CA 0.634 55.474 54.840 0.001 0.000 0.876 483 L CB 0.892 42.951 42.059 -0.000 0.000 1.263 483 L HN 0.740 nan 8.230 nan 0.000 0.486 484 T N 0.166 114.701 114.554 -0.030 0.000 2.909 484 T HA 0.593 4.943 4.350 -0.000 0.000 0.299 484 T C -0.941 173.696 174.700 -0.106 0.000 1.073 484 T CA -0.310 61.760 62.100 -0.050 0.000 0.999 484 T CB 3.052 71.892 68.868 -0.046 0.000 1.098 484 T HN -0.289 nan 8.240 nan 0.000 0.477 485 V N 2.595 122.430 119.914 -0.133 0.000 2.638 485 V HA 0.446 4.566 4.120 -0.000 0.000 0.306 485 V C -0.768 175.203 176.094 -0.204 0.000 1.052 485 V CA -1.029 61.110 62.300 -0.268 0.000 0.885 485 V CB 2.178 33.763 31.823 -0.396 0.000 0.999 485 V HN 0.842 nan 8.190 nan 0.000 0.424 486 D N 2.729 123.001 120.400 -0.213 0.000 2.383 486 D HA 0.579 5.219 4.640 -0.000 0.000 0.248 486 D C 0.832 177.046 176.300 -0.144 0.000 1.170 486 D CA -0.364 53.526 54.000 -0.184 0.000 0.977 486 D CB 0.613 41.252 40.800 -0.267 0.000 1.120 486 D HN 0.507 nan 8.370 nan 0.000 0.481 487 L N -0.398 120.740 121.223 -0.141 0.000 3.781 487 L HA -0.277 4.063 4.340 -0.000 0.000 0.426 487 L C 1.350 178.265 176.870 0.075 0.000 1.197 487 L CA 0.637 55.439 54.840 -0.064 0.000 0.907 487 L CB -2.366 39.584 42.059 -0.181 0.000 1.812 487 L HN 0.577 nan 8.230 nan 0.000 0.956 488 T N -5.714 108.880 114.554 0.066 0.000 3.035 488 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 488 T C 1.752 176.546 174.700 0.156 0.000 1.109 488 T CA 1.090 63.282 62.100 0.154 0.000 1.119 488 T CB -0.318 68.640 68.868 0.150 0.000 0.900 488 T HN 0.607 nan 8.240 nan 0.000 0.503 489 T N 1.279 115.893 114.554 0.100 0.000 2.803 489 T HA -0.133 4.217 4.350 -0.000 0.000 0.269 489 T C 1.879 176.644 174.700 0.109 0.000 1.052 489 T CA 1.666 63.821 62.100 0.091 0.000 1.136 489 T CB -1.074 67.826 68.868 0.054 0.000 0.864 489 T HN 0.636 nan 8.240 nan 0.000 0.467 490 T N -1.222 113.405 114.554 0.122 0.000 3.174 490 T HA 0.317 4.667 4.350 -0.000 0.000 0.269 490 T C 0.375 175.201 174.700 0.210 0.000 1.017 490 T CA -0.728 61.452 62.100 0.134 0.000 0.899 490 T CB -0.084 68.840 68.868 0.094 0.000 1.077 490 T HN 0.286 nan 8.240 nan 0.000 0.552 491 N N 1.339 120.204 118.700 0.276 0.000 2.687 491 N HA 0.260 5.000 4.740 -0.000 0.000 0.275 491 N C 0.751 176.522 175.510 0.435 0.000 1.789 491 N CA -0.183 53.115 53.050 0.413 0.000 0.806 491 N CB 1.132 39.947 38.487 0.548 0.000 1.256 491 N HN 0.152 nan 8.380 nan 0.000 0.500 492 L N 1.089 122.506 121.223 0.323 0.000 2.151 492 L HA -0.237 4.103 4.340 -0.000 0.000 0.215 492 L C 2.469 179.515 176.870 0.294 0.000 1.084 492 L CA 1.781 56.801 54.840 0.300 0.000 0.764 492 L CB 0.069 42.286 42.059 0.264 0.000 0.891 492 L HN 0.455 nan 8.230 nan 0.000 0.435 493 E N -1.076 119.260 120.200 0.227 0.000 2.333 493 E HA -0.258 4.092 4.350 -0.000 0.000 0.198 493 E C 1.501 178.055 176.600 -0.076 0.000 1.007 493 E CA 1.225 57.647 56.400 0.037 0.000 0.845 493 E CB -0.661 28.960 29.700 -0.133 0.000 0.766 493 E HN 0.637 nan 8.360 nan 0.000 0.507 494 W N 0.771 122.165 121.300 0.156 0.000 3.290 494 W HA 0.346 5.006 4.660 -0.000 0.000 0.287 494 W C 1.811 178.373 176.519 0.071 0.000 1.288 494 W CA -0.476 56.922 57.345 0.088 0.000 1.725 494 W CB 0.043 29.542 29.460 0.065 0.000 1.103 494 W HN -0.045 nan 8.180 nan 0.000 0.670 495 L N 0.527 121.911 121.223 0.267 0.000 2.478 495 L HA -0.070 4.270 4.340 -0.000 0.000 0.223 495 L C 0.749 177.671 176.870 0.086 0.000 1.140 495 L CA 1.005 55.948 54.840 0.172 0.000 0.842 495 L CB -0.238 41.923 42.059 0.169 0.000 0.953 495 L HN -0.003 nan 8.230 nan 0.000 0.452 496 N N -0.400 118.334 118.700 0.056 0.000 2.203 496 N HA 0.248 4.988 4.740 -0.000 0.000 0.207 496 N C 0.288 175.819 175.510 0.036 0.000 1.130 496 N CA 0.502 53.552 53.050 -0.001 0.000 0.861 496 N CB 1.013 39.449 38.487 -0.085 0.000 1.005 496 N HN 0.222 nan 8.380 nan 0.000 0.507 497 G N 0.004 108.856 108.800 0.086 0.000 2.758 497 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.686 497 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.686 497 G C -0.611 174.333 174.900 0.074 0.000 1.389 497 G CA -0.789 44.364 45.100 0.088 0.000 0.845 497 G HN 0.269 nan 8.290 nan 0.000 0.572 498 C N 3.104 122.441 119.300 0.062 0.000 2.264 498 C HA 0.719 5.179 4.460 -0.000 0.000 0.324 498 C C -1.103 173.855 174.990 -0.054 0.000 1.267 498 C CA -1.048 57.972 59.018 0.002 0.000 1.618 498 C CB 0.835 28.589 27.740 0.023 0.000 2.278 498 C HN 0.802 nan 8.230 nan 0.000 0.499 499 P HA 0.390 nan 4.420 nan 0.000 0.282 499 P C -2.691 174.647 177.300 0.064 0.000 1.259 499 P CA -1.526 61.583 63.100 0.015 0.000 0.826 499 P CB 0.472 32.207 31.700 0.058 0.000 1.064 500 P HA 0.195 nan 4.420 nan 0.000 0.275 500 P C -2.291 175.042 177.300 0.056 0.000 1.228 500 P CA -1.587 61.563 63.100 0.083 0.000 0.786 500 P CB -0.754 31.024 31.700 0.130 0.000 0.927 501 P HA -0.084 nan 4.420 nan 0.000 0.267 501 P C 0.855 178.165 177.300 0.017 0.000 1.200 501 P CA 0.053 63.174 63.100 0.035 0.000 0.772 501 P CB 0.488 32.208 31.700 0.034 0.000 0.855 502 Y N 2.657 122.883 120.300 -0.123 0.000 2.108 502 Y HA -0.271 4.279 4.550 -0.000 0.000 0.274 502 Y C 0.935 176.642 175.900 -0.322 0.000 1.229 502 Y CA 1.993 59.931 58.100 -0.270 0.000 1.129 502 Y CB -0.563 37.722 38.460 -0.292 0.000 0.946 502 Y HN 0.478 nan 8.280 nan 0.000 0.509 503 H N -0.358 118.763 119.070 0.086 0.000 2.718 503 H HA 0.322 4.878 4.556 -0.000 0.000 0.295 503 H C 0.039 175.359 175.328 -0.013 0.000 1.051 503 H CA -0.218 55.846 56.048 0.026 0.000 1.260 503 H CB 0.671 30.481 29.762 0.081 0.000 1.403 503 H HN 0.072 nan 8.280 nan 0.000 0.488 504 T N -0.729 113.874 114.554 0.083 0.000 2.912 504 T HA 0.224 4.574 4.350 -0.000 0.000 0.280 504 T C 0.306 175.007 174.700 0.001 0.000 0.989 504 T CA -0.844 61.199 62.100 -0.094 0.000 0.995 504 T CB 0.648 69.395 68.868 -0.203 0.000 1.077 504 T HN 0.508 nan 8.240 nan 0.000 0.531 505 F N -1.164 118.822 119.950 0.060 0.000 3.056 505 F HA -0.202 4.325 4.527 -0.000 0.000 0.266 505 F C 1.397 177.211 175.800 0.023 0.000 0.957 505 F CA 0.749 58.772 58.000 0.037 0.000 0.894 505 F CB -2.371 36.642 39.000 0.020 0.000 0.832 505 F HN 0.841 nan 8.300 nan 0.000 0.745 506 E N 0.491 120.754 120.200 0.106 0.000 2.204 506 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 506 E C 1.023 177.654 176.600 0.052 0.000 0.990 506 E CA 1.277 57.705 56.400 0.048 0.000 0.821 506 E CB 0.170 29.871 29.700 0.001 0.000 0.750 506 E HN 0.624 nan 8.360 nan 0.000 0.477 507 E N 0.571 120.817 120.200 0.077 0.000 2.185 507 E HA 0.243 4.593 4.350 -0.000 0.000 0.261 507 E C -2.472 174.211 176.600 0.139 0.000 0.879 507 E CA -2.633 53.815 56.400 0.080 0.000 0.756 507 E CB 1.258 30.992 29.700 0.056 0.000 1.152 507 E HN -0.143 nan 8.360 nan 0.000 0.416 508 P HA -0.111 nan 4.420 nan 0.000 0.271 508 P C -0.344 177.062 177.300 0.178 0.000 1.212 508 P CA 0.226 63.406 63.100 0.133 0.000 0.788 508 P CB 0.393 32.137 31.700 0.074 0.000 0.865 509 T N -1.198 113.454 114.554 0.163 0.000 2.788 509 T HA 0.325 4.675 4.350 -0.000 0.000 0.280 509 T C -0.881 173.920 174.700 0.167 0.000 0.984 509 T CA -0.309 61.903 62.100 0.186 0.000 0.972 509 T CB 0.360 69.319 68.868 0.151 0.000 1.039 509 T HN 0.307 nan 8.240 nan 0.000 0.530 510 Y N 0.284 120.616 120.300 0.053 0.000 2.328 510 Y HA 0.598 5.148 4.550 -0.000 0.000 0.336 510 Y C -1.489 174.426 175.900 0.026 0.000 0.960 510 Y CA -1.169 56.950 58.100 0.033 0.000 1.134 510 Y CB 1.254 39.733 38.460 0.033 0.000 1.166 510 Y HN 0.587 nan 8.280 nan 0.000 0.464 511 V N 6.600 126.190 119.914 -0.541 0.000 2.532 511 V HA 0.254 4.374 4.120 -0.000 0.000 0.294 511 V C -0.584 175.227 176.094 -0.472 0.000 1.036 511 V CA -1.219 60.856 62.300 -0.375 0.000 0.876 511 V CB 1.542 33.268 31.823 -0.162 0.000 1.012 511 V HN 0.883 nan 8.190 nan 0.000 0.432 512 N N 2.591 121.050 118.700 -0.401 0.000 2.415 512 N HA 0.337 5.077 4.740 -0.000 0.000 0.248 512 N C -0.724 174.704 175.510 -0.137 0.000 1.271 512 N CA -0.432 52.468 53.050 -0.251 0.000 0.913 512 N CB 0.609 39.044 38.487 -0.086 0.000 1.129 512 N HN 0.433 nan 8.380 nan 0.000 0.444 513 L N 2.478 123.647 121.223 -0.090 0.000 2.283 513 L HA 0.288 4.628 4.340 -0.000 0.000 0.281 513 L C -0.154 176.700 176.870 -0.026 0.000 1.033 513 L CA -0.383 54.424 54.840 -0.054 0.000 0.848 513 L CB 0.146 42.178 42.059 -0.046 0.000 1.226 513 L HN 0.395 nan 8.230 nan 0.000 0.429 514 K N 0.000 120.389 120.400 -0.019 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 514 K CB 0.000 32.498 32.500 -0.004 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543