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 2occ_1_N DATA FIRST_RESID 1 DATA SEQUENCE MFINRWLFST NHKDIGTLYL LFGAWAGMVG TALSLLIRAE LGQPGTLLGD DATA SEQUENCE DQIYNVVVTA HAFVMIFFMV MPIMIGGFGN WLVPLMIGAP DMAFPRMNNM DATA SEQUENCE SFWLLPPSFL LLLASSMVEA GAGTGWTVYP PLAGNLAHAG ASVDLTIFSL DATA SEQUENCE HLAGVSSILG AINFITTIIN MKPPAMSQYQ TPLFVWSVMI TAVLLLLSLP DATA SEQUENCE VLAAGITMLL TDRNLNTTFF DPAGGGDPIL YQHLFWFFGH PEVYILILPG DATA SEQUENCE FGMISHIVTY YSGKKEPFGY MGMVWAMMSI GFLGFIVWAH HMFTVGMDVD DATA SEQUENCE TRAYFTSATM IIAIPTGVKV FSWLATLHGG NIKWSPAMMW ALGFIFLFTV DATA SEQUENCE GGLTGIVLAN SSLDIVLHDT YYVVAHFHYV LSMGAVFAIM GGFVHWFPLF DATA SEQUENCE SGYTLNDTWA KIHFAIMFVG VNMTFFPQHF LGLSGMPRRY SDYPDAYTMW DATA SEQUENCE NTISSMGSFI SLTAVMLMVF IIWEAFASKR EVLTVDLTTT NLEWLNGCPP DATA SEQUENCE PYHTFEEPTY VNLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.328 176.300 0.047 0.000 1.140 1 M CA 0.000 55.307 55.300 0.011 0.000 0.988 1 M CB 0.000 32.627 32.600 0.045 0.000 1.302 2 F N 2.011 121.962 119.950 0.001 0.000 2.186 2 F HA -0.032 4.495 4.527 -0.000 0.000 0.299 2 F C 1.910 177.727 175.800 0.029 0.000 1.090 2 F CA 1.767 59.835 58.000 0.112 0.000 1.307 2 F CB 0.002 39.061 39.000 0.098 0.000 1.019 2 F HN 0.122 nan 8.300 nan 0.000 0.489 3 I N 1.135 121.716 120.570 0.019 0.000 2.142 3 I HA -0.316 3.854 4.170 -0.000 0.000 0.240 3 I C 1.934 177.692 176.117 -0.599 0.000 1.078 3 I CA 1.764 62.863 61.300 -0.335 0.000 1.343 3 I CB -1.166 36.573 38.000 -0.434 0.000 1.046 3 I HN 0.084 nan 8.210 nan 0.000 0.405 4 N N -0.150 118.300 118.700 -0.416 0.000 2.149 4 N HA -0.216 4.524 4.740 -0.000 0.000 0.188 4 N C 1.936 177.307 175.510 -0.232 0.000 1.019 4 N CA 1.229 54.129 53.050 -0.251 0.000 0.857 4 N CB -0.196 38.233 38.487 -0.097 0.000 0.997 4 N HN 0.295 nan 8.380 nan 0.000 0.426 5 R N -0.783 119.500 120.500 -0.360 0.000 2.066 5 R HA 0.013 4.353 4.340 -0.000 0.000 0.224 5 R C 1.066 176.860 176.300 -0.844 0.000 1.122 5 R CA 1.000 56.737 56.100 -0.605 0.000 0.974 5 R CB -0.080 29.770 30.300 -0.749 0.000 0.871 5 R HN 0.280 nan 8.270 nan 0.000 0.435 6 W N -0.192 120.874 121.300 -0.391 0.000 2.942 6 W HA 0.234 4.894 4.660 -0.000 0.000 0.263 6 W C 1.447 177.927 176.519 -0.065 0.000 1.296 6 W CA -0.152 56.976 57.345 -0.362 0.000 1.504 6 W CB 0.401 29.384 29.460 -0.794 0.000 1.096 6 W HN 0.042 nan 8.180 nan 0.000 0.639 7 L N -1.620 119.598 121.223 -0.009 0.000 2.575 7 L HA 0.175 4.515 4.340 -0.000 0.000 0.228 7 L C 0.657 177.714 176.870 0.311 0.000 1.075 7 L CA 0.381 55.259 54.840 0.064 0.000 0.867 7 L CB -0.125 41.775 42.059 -0.264 0.000 1.097 7 L HN -0.127 nan 8.230 nan 0.000 0.485 8 F N -0.139 119.795 119.950 -0.026 0.000 2.735 8 F HA 0.291 4.818 4.527 -0.000 0.000 0.304 8 F C 1.270 177.054 175.800 -0.027 0.000 1.119 8 F CA -1.168 56.814 58.000 -0.031 0.000 1.280 8 F CB -0.582 38.385 39.000 -0.056 0.000 0.994 8 F HN -0.205 nan 8.300 nan 0.000 0.520 9 S N 1.016 116.797 115.700 0.135 0.000 2.563 9 S HA 0.198 4.668 4.470 -0.000 0.000 0.284 9 S C 1.082 175.689 174.600 0.012 0.000 1.331 9 S CA 0.828 59.021 58.200 -0.012 0.000 1.047 9 S CB 0.352 63.465 63.200 -0.144 0.000 0.859 9 S HN 0.495 nan 8.310 nan 0.000 0.514 10 T N 1.053 115.583 114.554 -0.041 0.000 3.460 10 T HA 0.301 4.651 4.350 -0.000 0.000 0.304 10 T C -0.373 174.255 174.700 -0.119 0.000 0.991 10 T CA -0.712 61.367 62.100 -0.035 0.000 0.975 10 T CB -0.498 68.376 68.868 0.010 0.000 1.196 10 T HN 0.531 nan 8.240 nan 0.000 0.490 11 N N 1.418 119.967 118.700 -0.251 0.000 2.407 11 N HA 0.162 4.902 4.740 -0.000 0.000 0.277 11 N C 1.060 176.294 175.510 -0.460 0.000 0.995 11 N CA -0.274 52.488 53.050 -0.481 0.000 0.903 11 N CB 1.531 39.457 38.487 -0.935 0.000 1.218 11 N HN 0.551 nan 8.380 nan 0.000 0.487 12 H N 3.590 122.404 119.070 -0.425 0.000 2.390 12 H HA -0.073 4.483 4.556 -0.000 0.000 0.298 12 H C 0.994 175.971 175.328 -0.586 0.000 1.106 12 H CA 1.625 57.433 56.048 -0.400 0.000 1.297 12 H CB 0.299 29.872 29.762 -0.314 0.000 1.375 12 H HN 0.501 nan 8.280 nan 0.000 0.509 13 K N 0.126 119.703 120.400 -1.371 0.000 2.031 13 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 13 K C 1.752 177.716 176.600 -1.060 0.000 1.049 13 K CA 1.299 56.577 56.287 -1.682 0.000 0.939 13 K CB 0.048 31.501 32.500 -1.745 0.000 0.717 13 K HN 0.296 nan 8.250 nan 0.000 0.438 14 D N 1.124 121.078 120.400 -0.744 0.000 2.144 14 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 14 D C 1.873 178.009 176.300 -0.272 0.000 0.984 14 D CA 1.012 54.743 54.000 -0.447 0.000 0.834 14 D CB -0.167 40.195 40.800 -0.731 0.000 0.955 14 D HN 0.152 nan 8.370 nan 0.000 0.465 15 I N 0.684 121.059 120.570 -0.325 0.000 2.315 15 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 15 I C 2.507 178.572 176.117 -0.088 0.000 1.117 15 I CA 1.207 62.378 61.300 -0.215 0.000 1.404 15 I CB -0.374 37.565 38.000 -0.102 0.000 1.071 15 I HN 0.014 nan 8.210 nan 0.000 0.419 16 G N 0.077 108.779 108.800 -0.164 0.000 2.422 16 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 16 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 16 G C 1.666 176.614 174.900 0.081 0.000 1.146 16 G CA 1.401 46.482 45.100 -0.032 0.000 0.769 16 G HN 0.281 nan 8.290 nan 0.000 0.547 17 T N 1.139 115.715 114.554 0.036 0.000 2.777 17 T HA -0.043 4.307 4.350 -0.000 0.000 0.266 17 T C 2.288 177.007 174.700 0.032 0.000 1.040 17 T CA 0.645 62.839 62.100 0.157 0.000 1.141 17 T CB -0.155 68.871 68.868 0.263 0.000 0.868 17 T HN 0.032 nan 8.240 nan 0.000 0.444 18 L N 0.212 121.352 121.223 -0.138 0.000 2.042 18 L HA -0.029 4.311 4.340 -0.000 0.000 0.210 18 L C 2.067 178.717 176.870 -0.367 0.000 1.076 18 L CA 1.631 56.167 54.840 -0.506 0.000 0.749 18 L CB -1.219 40.127 42.059 -1.188 0.000 0.893 18 L HN 0.314 nan 8.230 nan 0.000 0.432 19 Y N -0.799 119.361 120.300 -0.233 0.000 2.145 19 Y HA -0.238 4.312 4.550 -0.000 0.000 0.286 19 Y C 2.475 178.510 175.900 0.224 0.000 1.145 19 Y CA 1.428 59.622 58.100 0.156 0.000 1.148 19 Y CB -0.408 38.140 38.460 0.147 0.000 0.981 19 Y HN 0.078 nan 8.280 nan 0.000 0.507 20 L N -0.940 120.447 121.223 0.273 0.000 2.083 20 L HA -0.254 4.086 4.340 -0.000 0.000 0.209 20 L C 2.254 179.264 176.870 0.233 0.000 1.083 20 L CA 1.063 56.025 54.840 0.202 0.000 0.752 20 L CB -0.601 41.512 42.059 0.090 0.000 0.899 20 L HN 0.278 nan 8.230 nan 0.000 0.433 21 L N -1.464 119.885 121.223 0.211 0.000 2.027 21 L HA -0.242 4.098 4.340 -0.000 0.000 0.206 21 L C 2.511 179.560 176.870 0.298 0.000 1.074 21 L CA 1.300 56.263 54.840 0.204 0.000 0.745 21 L CB -0.442 41.683 42.059 0.110 0.000 0.898 21 L HN 0.163 nan 8.230 nan 0.000 0.433 22 F N 0.643 120.739 119.950 0.244 0.000 2.069 22 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 22 F C 2.231 178.266 175.800 0.392 0.000 1.113 22 F CA 1.761 59.964 58.000 0.338 0.000 1.214 22 F CB -0.671 38.576 39.000 0.412 0.000 0.978 22 F HN 0.001 nan 8.300 nan 0.000 0.474 23 G N -0.402 108.706 108.800 0.513 0.000 2.422 23 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 23 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 23 G C 1.789 176.811 174.900 0.203 0.000 1.146 23 G CA 0.809 46.123 45.100 0.356 0.000 0.769 23 G HN 0.639 nan 8.290 nan 0.000 0.547 24 A N -0.047 122.888 122.820 0.191 0.000 1.877 24 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 24 A C 2.152 179.814 177.584 0.130 0.000 1.186 24 A CA 1.589 53.697 52.037 0.119 0.000 0.620 24 A CB -0.748 18.320 19.000 0.113 0.000 0.822 24 A HN 0.529 nan 8.150 nan 0.000 0.443 25 W N 0.456 121.751 121.300 -0.008 0.000 2.354 25 W HA -0.122 4.538 4.660 -0.000 0.000 0.315 25 W C 2.568 179.080 176.519 -0.012 0.000 1.206 25 W CA 2.363 59.688 57.345 -0.033 0.000 1.290 25 W CB -0.261 29.153 29.460 -0.078 0.000 1.152 25 W HN 0.355 nan 8.180 nan 0.000 0.489 26 A N 0.356 123.295 122.820 0.198 0.000 1.978 26 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 26 A C 2.170 179.788 177.584 0.057 0.000 1.170 26 A CA 1.988 54.141 52.037 0.193 0.000 0.636 26 A CB -1.663 17.409 19.000 0.120 0.000 0.810 26 A HN 0.431 nan 8.150 nan 0.000 0.448 27 G N -1.197 107.622 108.800 0.032 0.000 2.443 27 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.219 27 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.219 27 G C 1.439 176.315 174.900 -0.041 0.000 1.131 27 G CA 1.153 46.262 45.100 0.016 0.000 0.775 27 G HN 0.370 nan 8.290 nan 0.000 0.547 28 M N 0.406 119.920 119.600 -0.143 0.000 2.156 28 M HA 0.049 4.529 4.480 -0.000 0.000 0.264 28 M C 2.765 178.942 176.300 -0.205 0.000 1.067 28 M CA 0.641 55.822 55.300 -0.197 0.000 1.131 28 M CB -1.114 31.290 32.600 -0.327 0.000 1.368 28 M HN 0.095 nan 8.290 nan 0.000 0.416 29 V N 0.634 120.377 119.914 -0.284 0.000 2.287 29 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 29 V C 2.657 178.749 176.094 -0.002 0.000 1.053 29 V CA 2.208 64.401 62.300 -0.177 0.000 1.027 29 V CB -1.749 30.011 31.823 -0.104 0.000 0.646 29 V HN 0.571 nan 8.190 nan 0.000 0.447 30 G N -0.802 108.031 108.800 0.056 0.000 2.432 30 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 30 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 30 G C 1.666 176.658 174.900 0.153 0.000 1.135 30 G CA 1.492 46.670 45.100 0.131 0.000 0.767 30 G HN 0.490 nan 8.290 nan 0.000 0.550 31 T N 1.455 116.047 114.554 0.063 0.000 2.857 31 T HA 0.113 4.463 4.350 -0.000 0.000 0.266 31 T C 2.831 177.527 174.700 -0.006 0.000 1.048 31 T CA 1.237 63.362 62.100 0.042 0.000 1.139 31 T CB -0.269 68.601 68.868 0.003 0.000 0.874 31 T HN 0.355 nan 8.240 nan 0.000 0.455 32 A N 1.393 124.194 122.820 -0.031 0.000 1.902 32 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 32 A C 2.281 179.848 177.584 -0.029 0.000 1.181 32 A CA 1.204 53.209 52.037 -0.052 0.000 0.623 32 A CB -0.894 18.068 19.000 -0.064 0.000 0.818 32 A HN 0.459 nan 8.150 nan 0.000 0.443 33 L N 0.516 121.751 121.223 0.021 0.000 2.083 33 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 33 L C 2.992 179.830 176.870 -0.054 0.000 1.083 33 L CA 1.631 56.491 54.840 0.033 0.000 0.752 33 L CB -0.450 41.689 42.059 0.132 0.000 0.899 33 L HN 0.612 nan 8.230 nan 0.000 0.433 34 S N -0.473 115.190 115.700 -0.061 0.000 2.423 34 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 34 S C 1.880 176.380 174.600 -0.167 0.000 1.014 34 S CA 0.781 58.829 58.200 -0.253 0.000 0.965 34 S CB -0.469 62.671 63.200 -0.101 0.000 0.785 34 S HN 0.374 nan 8.310 nan 0.000 0.495 35 L N 0.293 121.436 121.223 -0.134 0.000 2.209 35 L HA 0.179 4.519 4.340 -0.000 0.000 0.207 35 L C 2.448 179.268 176.870 -0.083 0.000 1.094 35 L CA 0.587 55.322 54.840 -0.176 0.000 0.790 35 L CB -0.419 41.469 42.059 -0.285 0.000 0.932 35 L HN 0.295 nan 8.230 nan 0.000 0.447 36 L N -0.324 120.873 121.223 -0.044 0.000 2.131 36 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 36 L C 2.411 179.323 176.870 0.070 0.000 1.092 36 L CA 1.249 56.101 54.840 0.020 0.000 0.759 36 L CB -0.291 41.781 42.059 0.021 0.000 0.903 36 L HN 0.233 nan 8.230 nan 0.000 0.435 37 I N -0.802 119.781 120.570 0.022 0.000 2.163 37 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 37 I C 2.583 178.801 176.117 0.168 0.000 1.081 37 I CA 0.999 62.364 61.300 0.109 0.000 1.353 37 I CB -0.344 37.632 38.000 -0.041 0.000 1.054 37 I HN 0.233 nan 8.210 nan 0.000 0.407 38 R N 0.962 121.502 120.500 0.066 0.000 2.189 38 R HA 0.009 4.349 4.340 -0.000 0.000 0.223 38 R C 2.201 178.587 176.300 0.144 0.000 1.092 38 R CA 1.189 57.339 56.100 0.083 0.000 0.989 38 R CB -0.891 29.420 30.300 0.018 0.000 0.876 38 R HN 0.379 nan 8.270 nan 0.000 0.457 39 A N 1.149 124.058 122.820 0.148 0.000 1.873 39 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 39 A C 2.144 179.817 177.584 0.147 0.000 1.186 39 A CA 1.629 53.775 52.037 0.182 0.000 0.616 39 A CB -0.358 18.738 19.000 0.159 0.000 0.823 39 A HN 0.256 nan 8.150 nan 0.000 0.442 40 E N 0.265 120.559 120.200 0.157 0.000 2.118 40 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 40 E C 1.515 178.181 176.600 0.110 0.000 0.992 40 E CA 1.438 57.918 56.400 0.133 0.000 0.804 40 E CB -0.361 29.465 29.700 0.210 0.000 0.741 40 E HN 0.593 nan 8.360 nan 0.000 0.458 41 L N -1.003 120.320 121.223 0.166 0.000 2.592 41 L HA 0.299 4.639 4.340 -0.000 0.000 0.227 41 L C 2.031 179.045 176.870 0.239 0.000 1.127 41 L CA 0.336 55.321 54.840 0.242 0.000 0.884 41 L CB 0.177 42.357 42.059 0.202 0.000 1.065 41 L HN 0.196 nan 8.230 nan 0.000 0.457 42 G N -0.699 108.197 108.800 0.160 0.000 2.679 42 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.212 42 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.212 42 G C 0.552 175.521 174.900 0.115 0.000 1.137 42 G CA 0.179 45.354 45.100 0.125 0.000 0.787 42 G HN 0.332 nan 8.290 nan 0.000 0.534 43 Q N -0.309 119.566 119.800 0.124 0.000 2.320 43 Q HA 0.302 4.642 4.340 -0.000 0.000 0.272 43 Q C -2.928 173.072 176.000 0.000 0.000 1.023 43 Q CA -1.699 54.147 55.803 0.071 0.000 0.855 43 Q CB 2.796 31.547 28.738 0.022 0.000 1.367 43 Q HN -0.051 nan 8.270 nan 0.000 0.406 44 P HA 0.266 nan 4.420 nan 0.000 0.268 44 P C -0.110 177.061 177.300 -0.215 0.000 1.208 44 P CA 0.899 63.823 63.100 -0.294 0.000 0.777 44 P CB 0.561 32.153 31.700 -0.179 0.000 0.875 45 G N 0.445 109.081 108.800 -0.274 0.000 2.466 45 G HA2 0.155 4.115 3.960 -0.000 0.000 0.316 45 G HA3 0.155 4.115 3.960 -0.000 0.000 0.316 45 G C -0.842 173.966 174.900 -0.153 0.000 1.270 45 G CA -0.241 44.758 45.100 -0.169 0.000 0.982 45 G HN 0.824 nan 8.290 nan 0.000 0.506 46 T N -1.667 112.828 114.554 -0.097 0.000 2.848 46 T HA 0.668 5.018 4.350 -0.000 0.000 0.285 46 T C 0.758 175.439 174.700 -0.032 0.000 0.995 46 T CA 0.347 62.403 62.100 -0.073 0.000 0.970 46 T CB 1.831 70.658 68.868 -0.068 0.000 0.976 46 T HN 1.735 nan 8.240 nan 0.000 0.441 47 L N 3.671 124.890 121.223 -0.006 0.000 2.347 47 L HA 0.491 4.831 4.340 -0.000 0.000 0.196 47 L C 1.864 178.756 176.870 0.037 0.000 1.072 47 L CA 0.706 55.559 54.840 0.021 0.000 0.817 47 L CB -0.465 41.619 42.059 0.043 0.000 1.029 47 L HN 0.799 nan 8.230 nan 0.000 0.478 48 L N -0.743 120.515 121.223 0.059 0.000 2.102 48 L HA 0.359 4.699 4.340 -0.000 0.000 0.202 48 L C 1.285 178.189 176.870 0.057 0.000 1.076 48 L CA 0.694 55.578 54.840 0.073 0.000 0.761 48 L CB -0.624 41.508 42.059 0.121 0.000 0.921 48 L HN 0.536 nan 8.230 nan 0.000 0.444 49 G N -0.462 108.367 108.800 0.049 0.000 2.347 49 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.224 49 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.224 49 G C -1.704 173.215 174.900 0.033 0.000 1.318 49 G CA -0.148 44.972 45.100 0.034 0.000 1.016 49 G HN 0.178 nan 8.290 nan 0.000 0.469 50 D N 0.196 120.617 120.400 0.035 0.000 2.369 50 D HA 0.281 4.921 4.640 -0.000 0.000 0.241 50 D C 0.547 176.899 176.300 0.086 0.000 1.271 50 D CA 0.037 54.056 54.000 0.032 0.000 0.942 50 D CB 0.282 41.095 40.800 0.022 0.000 1.129 50 D HN 0.216 nan 8.370 nan 0.000 0.476 51 D N -0.931 119.515 120.400 0.075 0.000 2.354 51 D HA -0.162 4.478 4.640 -0.000 0.000 0.216 51 D C 1.602 178.029 176.300 0.212 0.000 0.970 51 D CA 0.937 55.041 54.000 0.173 0.000 0.905 51 D CB -0.043 40.827 40.800 0.117 0.000 0.903 51 D HN 0.489 nan 8.370 nan 0.000 0.508 52 Q N 0.507 120.391 119.800 0.140 0.000 1.994 52 Q HA -0.084 4.256 4.340 -0.000 0.000 0.198 52 Q C 1.998 178.084 176.000 0.143 0.000 0.976 52 Q CA 0.826 56.708 55.803 0.131 0.000 0.828 52 Q CB -0.484 28.301 28.738 0.079 0.000 0.894 52 Q HN 0.239 nan 8.270 nan 0.000 0.432 53 I N 0.183 120.833 120.570 0.133 0.000 2.454 53 I HA -0.182 3.988 4.170 -0.000 0.000 0.254 53 I C 1.889 178.096 176.117 0.149 0.000 1.156 53 I CA 1.210 62.584 61.300 0.124 0.000 1.433 53 I CB -0.523 37.541 38.000 0.107 0.000 1.082 53 I HN 0.426 nan 8.210 nan 0.000 0.432 54 Y N 1.493 121.836 120.300 0.073 0.000 2.133 54 Y HA -0.199 4.351 4.550 -0.000 0.000 0.287 54 Y C 2.279 178.238 175.900 0.097 0.000 1.134 54 Y CA 1.986 60.135 58.100 0.082 0.000 1.133 54 Y CB -0.572 37.938 38.460 0.084 0.000 0.987 54 Y HN 0.228 nan 8.280 nan 0.000 0.502 55 N N -0.139 118.599 118.700 0.064 0.000 2.459 55 N HA -0.118 4.622 4.740 -0.000 0.000 0.181 55 N C 1.875 177.378 175.510 -0.011 0.000 1.046 55 N CA 1.145 54.184 53.050 -0.017 0.000 0.904 55 N CB -0.079 38.489 38.487 0.135 0.000 0.964 55 N HN 0.305 nan 8.380 nan 0.000 0.444 56 V N 0.581 120.517 119.914 0.037 0.000 2.427 56 V HA -0.125 3.995 4.120 -0.000 0.000 0.248 56 V C 2.365 178.479 176.094 0.033 0.000 1.051 56 V CA 0.976 63.315 62.300 0.065 0.000 1.048 56 V CB -0.200 31.679 31.823 0.093 0.000 0.666 56 V HN 0.035 nan 8.190 nan 0.000 0.456 57 V N -0.501 119.394 119.914 -0.032 0.000 2.307 57 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 57 V C 2.404 178.454 176.094 -0.072 0.000 1.045 57 V CA 1.755 64.027 62.300 -0.047 0.000 1.024 57 V CB -0.151 31.617 31.823 -0.091 0.000 0.651 57 V HN 0.394 nan 8.190 nan 0.000 0.449 58 V N -0.165 119.620 119.914 -0.214 0.000 2.407 58 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 58 V C 2.551 178.648 176.094 0.006 0.000 1.055 58 V CA 2.599 64.813 62.300 -0.143 0.000 1.049 58 V CB -0.886 30.781 31.823 -0.260 0.000 0.662 58 V HN 0.611 nan 8.190 nan 0.000 0.455 59 T N 0.311 114.855 114.554 -0.016 0.000 2.737 59 T HA -0.112 4.238 4.350 -0.000 0.000 0.265 59 T C 2.039 176.733 174.700 -0.009 0.000 1.038 59 T CA 1.573 63.646 62.100 -0.046 0.000 1.144 59 T CB -0.378 68.492 68.868 0.002 0.000 0.866 59 T HN 0.562 nan 8.240 nan 0.000 0.434 60 A N 0.981 123.885 122.820 0.139 0.000 1.969 60 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 60 A C 1.962 179.680 177.584 0.223 0.000 1.169 60 A CA 2.068 54.258 52.037 0.255 0.000 0.635 60 A CB -0.845 18.300 19.000 0.241 0.000 0.810 60 A HN 0.694 nan 8.150 nan 0.000 0.445 61 H N 0.304 119.408 119.070 0.056 0.000 2.321 61 H HA -0.001 4.555 4.556 -0.000 0.000 0.300 61 H C 2.099 177.430 175.328 0.006 0.000 1.087 61 H CA 2.116 58.190 56.048 0.043 0.000 1.319 61 H CB -0.350 29.424 29.762 0.019 0.000 1.379 61 H HN 0.350 nan 8.280 nan 0.000 0.501 62 A N 0.106 122.801 122.820 -0.207 0.000 1.877 62 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 62 A C 2.197 179.616 177.584 -0.275 0.000 1.186 62 A CA 1.577 53.339 52.037 -0.458 0.000 0.620 62 A CB -1.108 17.573 19.000 -0.531 0.000 0.822 62 A HN 0.453 nan 8.150 nan 0.000 0.443 63 F N -0.048 119.945 119.950 0.072 0.000 2.134 63 F HA -0.117 4.410 4.527 -0.000 0.000 0.299 63 F C 2.504 178.394 175.800 0.150 0.000 1.097 63 F CA 0.995 59.123 58.000 0.214 0.000 1.264 63 F CB -0.959 38.187 39.000 0.243 0.000 1.001 63 F HN 0.019 nan 8.300 nan 0.000 0.479 64 V N -0.383 119.742 119.914 0.352 0.000 2.307 64 V HA -0.308 3.812 4.120 -0.000 0.000 0.245 64 V C 2.511 178.670 176.094 0.108 0.000 1.045 64 V CA 1.504 63.989 62.300 0.308 0.000 1.024 64 V CB -0.547 31.438 31.823 0.270 0.000 0.651 64 V HN 0.205 nan 8.190 nan 0.000 0.449 65 M N -0.997 118.575 119.600 -0.046 0.000 2.159 65 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 65 M C 2.104 178.293 176.300 -0.184 0.000 1.063 65 M CA 1.896 57.115 55.300 -0.134 0.000 1.110 65 M CB -0.899 31.523 32.600 -0.295 0.000 1.374 65 M HN 0.294 nan 8.290 nan 0.000 0.411 66 I N -1.360 119.049 120.570 -0.269 0.000 2.270 66 I HA -0.210 3.960 4.170 -0.000 0.000 0.239 66 I C 1.999 177.823 176.117 -0.489 0.000 1.080 66 I CA 1.073 62.105 61.300 -0.446 0.000 1.383 66 I CB -0.313 37.281 38.000 -0.676 0.000 1.097 66 I HN 0.045 nan 8.210 nan 0.000 0.420 67 F N -0.277 119.487 119.950 -0.311 0.000 2.416 67 F HA -0.027 4.500 4.527 0.000 0.000 0.296 67 F C 1.719 177.137 175.800 -0.636 0.000 1.099 67 F CA 0.943 58.623 58.000 -0.533 0.000 1.427 67 F CB -0.148 38.357 39.000 -0.824 0.000 1.079 67 F HN -0.047 nan 8.300 nan 0.000 0.536 68 F N -2.149 117.896 119.950 0.158 0.000 2.720 68 F HA 0.229 4.756 4.527 -0.000 0.000 0.301 68 F C 1.805 177.716 175.800 0.184 0.000 1.103 68 F CA 0.055 58.152 58.000 0.161 0.000 1.291 68 F CB -0.165 38.677 39.000 -0.263 0.000 1.086 68 F HN -0.097 nan 8.300 nan 0.000 0.592 69 M N -0.890 118.823 119.600 0.188 0.000 3.127 69 M HA 0.059 4.539 4.480 -0.000 0.000 0.228 69 M C 1.937 178.310 176.300 0.122 0.000 1.558 69 M CA 0.880 56.276 55.300 0.160 0.000 1.349 69 M CB -0.332 32.320 32.600 0.087 0.000 1.098 69 M HN -0.132 nan 8.290 nan 0.000 0.582 70 V N 1.712 121.639 119.914 0.022 0.000 2.287 70 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 70 V C 2.420 178.525 176.094 0.019 0.000 1.053 70 V CA 2.092 64.392 62.300 0.001 0.000 1.027 70 V CB -0.763 31.004 31.823 -0.094 0.000 0.646 70 V HN 0.533 nan 8.190 nan 0.000 0.447 71 M N -0.780 118.806 119.600 -0.022 0.000 2.099 71 M HA -0.070 4.410 4.480 -0.000 0.000 0.262 71 M C -0.070 176.286 176.300 0.093 0.000 1.067 71 M CA 2.149 57.447 55.300 -0.003 0.000 1.124 71 M CB -1.322 31.242 32.600 -0.060 0.000 1.353 71 M HN 0.269 nan 8.290 nan 0.000 0.410 72 P HA -0.104 nan 4.420 nan 0.000 0.216 72 P C 1.354 178.816 177.300 0.270 0.000 1.153 72 P CA 1.294 64.614 63.100 0.366 0.000 0.848 72 P CB -0.055 32.019 31.700 0.623 0.000 0.787 73 I N -1.978 118.756 120.570 0.274 0.000 2.133 73 I HA -0.234 3.936 4.170 -0.000 0.000 0.238 73 I C 2.450 178.772 176.117 0.342 0.000 1.074 73 I CA 1.644 63.111 61.300 0.277 0.000 1.342 73 I CB -0.486 37.687 38.000 0.288 0.000 1.053 73 I HN -0.096 nan 8.210 nan 0.000 0.404 74 M N 0.049 119.826 119.600 0.295 0.000 2.086 74 M HA -0.207 4.273 4.480 -0.000 0.000 0.261 74 M C 2.224 178.646 176.300 0.204 0.000 1.067 74 M CA 2.137 57.615 55.300 0.295 0.000 1.116 74 M CB -0.159 32.519 32.600 0.129 0.000 1.348 74 M HN 0.189 nan 8.290 nan 0.000 0.407 75 I N -1.552 119.042 120.570 0.040 0.000 2.499 75 I HA -0.014 4.156 4.170 -0.000 0.000 0.243 75 I C 2.514 178.567 176.117 -0.107 0.000 1.085 75 I CA 1.049 62.283 61.300 -0.110 0.000 1.422 75 I CB -0.785 37.125 38.000 -0.151 0.000 1.165 75 I HN 0.282 nan 8.210 nan 0.000 0.440 76 G N 0.334 108.941 108.800 -0.323 0.000 2.421 76 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.217 76 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.217 76 G C 1.535 176.123 174.900 -0.520 0.000 1.143 76 G CA 0.812 45.310 45.100 -1.004 0.000 0.784 76 G HN 0.481 nan 8.290 nan 0.000 0.541 77 G N 0.574 109.292 108.800 -0.137 0.000 2.654 77 G HA2 0.062 4.022 3.960 -0.000 0.000 0.215 77 G HA3 0.062 4.022 3.960 -0.000 0.000 0.215 77 G C 1.424 176.324 174.900 -0.001 0.000 1.310 77 G CA 0.404 45.498 45.100 -0.011 0.000 0.866 77 G HN 0.233 nan 8.290 nan 0.000 0.558 78 F N 2.069 122.079 119.950 0.100 0.000 2.250 78 F HA 0.031 4.558 4.527 -0.000 0.000 0.301 78 F C 2.847 178.772 175.800 0.209 0.000 1.077 78 F CA 0.934 58.985 58.000 0.085 0.000 1.348 78 F CB -0.478 38.531 39.000 0.013 0.000 1.040 78 F HN 0.226 nan 8.300 nan 0.000 0.509 79 G N 0.080 109.113 108.800 0.388 0.000 2.453 79 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.215 79 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.215 79 G C 1.700 176.883 174.900 0.471 0.000 1.201 79 G CA 0.942 46.230 45.100 0.315 0.000 0.784 79 G HN 0.251 nan 8.290 nan 0.000 0.545 80 N N -0.241 118.684 118.700 0.374 0.000 2.188 80 N HA -0.088 4.652 4.740 -0.000 0.000 0.184 80 N C 1.924 177.564 175.510 0.217 0.000 1.018 80 N CA 0.825 53.993 53.050 0.197 0.000 0.858 80 N CB -0.236 38.280 38.487 0.048 0.000 0.989 80 N HN 0.558 nan 8.380 nan 0.000 0.426 81 W N 1.538 122.862 121.300 0.040 0.000 2.380 81 W HA 0.010 4.670 4.660 -0.000 0.000 0.317 81 W C 2.154 178.735 176.519 0.104 0.000 1.196 81 W CA 0.658 57.997 57.345 -0.010 0.000 1.307 81 W CB -0.285 28.954 29.460 -0.368 0.000 1.157 81 W HN -0.020 nan 8.180 nan 0.000 0.483 82 L N -1.307 120.133 121.223 0.361 0.000 2.162 82 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 82 L C 2.093 179.072 176.870 0.181 0.000 1.086 82 L CA 0.238 55.184 54.840 0.176 0.000 0.778 82 L CB -1.235 40.748 42.059 -0.127 0.000 0.928 82 L HN -0.178 nan 8.230 nan 0.000 0.446 83 V N 0.872 120.919 119.914 0.222 0.000 2.252 83 V HA -0.200 3.920 4.120 -0.000 0.000 0.249 83 V C -0.114 175.972 176.094 -0.013 0.000 1.056 83 V CA 2.318 64.694 62.300 0.126 0.000 1.022 83 V CB -1.446 30.474 31.823 0.163 0.000 0.641 83 V HN 0.325 nan 8.190 nan 0.000 0.445 84 P HA -0.101 nan 4.420 nan 0.000 0.217 84 P C 1.903 179.112 177.300 -0.152 0.000 1.150 84 P CA 1.295 64.228 63.100 -0.278 0.000 0.832 84 P CB -0.067 31.223 31.700 -0.684 0.000 0.787 85 L N -1.958 119.284 121.223 0.030 0.000 2.131 85 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 85 L C 2.330 179.276 176.870 0.126 0.000 1.092 85 L CA 1.486 56.460 54.840 0.223 0.000 0.759 85 L CB -0.785 41.446 42.059 0.286 0.000 0.903 85 L HN 0.039 nan 8.230 nan 0.000 0.435 86 M N -0.328 119.318 119.600 0.076 0.000 2.506 86 M HA -0.011 4.469 4.480 -0.000 0.000 0.260 86 M C 1.749 178.051 176.300 0.003 0.000 1.104 86 M CA 1.198 56.557 55.300 0.099 0.000 1.112 86 M CB 0.117 32.822 32.600 0.175 0.000 1.401 86 M HN 0.309 nan 8.290 nan 0.000 0.473 87 I N -4.047 116.454 120.570 -0.116 0.000 4.025 87 I HA 0.499 4.669 4.170 -0.000 0.000 0.336 87 I C 0.827 176.733 176.117 -0.351 0.000 1.390 87 I CA -0.071 61.123 61.300 -0.178 0.000 1.099 87 I CB -0.018 37.886 38.000 -0.160 0.000 1.049 87 I HN 0.296 nan 8.210 nan 0.000 0.394 88 G N 1.936 110.347 108.800 -0.649 0.000 2.198 88 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.257 88 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.257 88 G C 0.193 174.470 174.900 -1.038 0.000 1.042 88 G CA 0.109 44.385 45.100 -1.373 0.000 0.791 88 G HN 0.939 nan 8.290 nan 0.000 0.502 89 A N 0.172 122.606 122.820 -0.643 0.000 2.312 89 A HA 0.891 5.211 4.320 -0.000 0.000 0.328 89 A C -0.181 177.346 177.584 -0.094 0.000 1.158 89 A CA -0.968 50.887 52.037 -0.302 0.000 0.821 89 A CB 1.335 20.182 19.000 -0.255 0.000 1.170 89 A HN 0.093 nan 8.150 nan 0.000 0.490 90 P HA -0.054 nan 4.420 nan 0.000 0.218 90 P C 0.102 177.451 177.300 0.080 0.000 1.149 90 P CA 1.292 64.470 63.100 0.130 0.000 0.817 90 P CB 0.390 32.141 31.700 0.086 0.000 0.785 91 D N -3.150 117.210 120.400 -0.065 0.000 3.024 91 D HA 0.133 4.773 4.640 -0.000 0.000 0.354 91 D C -0.541 175.621 176.300 -0.230 0.000 1.431 91 D CA -0.502 53.424 54.000 -0.124 0.000 0.842 91 D CB 0.488 41.282 40.800 -0.010 0.000 1.437 91 D HN -0.329 nan 8.370 nan 0.000 0.507 92 M N 0.896 120.360 119.600 -0.228 0.000 2.197 92 M HA 0.352 4.832 4.480 -0.000 0.000 0.305 92 M C 1.264 177.379 176.300 -0.308 0.000 1.162 92 M CA 0.033 55.162 55.300 -0.286 0.000 1.099 92 M CB 0.305 32.727 32.600 -0.296 0.000 1.430 92 M HN 0.595 nan 8.290 nan 0.000 0.481 93 A N 0.817 123.356 122.820 -0.468 0.000 1.930 93 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 93 A C 0.399 177.520 177.584 -0.773 0.000 1.175 93 A CA 1.396 52.993 52.037 -0.733 0.000 0.627 93 A CB -0.173 18.144 19.000 -1.138 0.000 0.815 93 A HN 0.568 nan 8.150 nan 0.000 0.443 94 F N -1.211 118.684 119.950 -0.092 0.000 2.564 94 F HA 0.392 4.919 4.527 0.000 0.000 0.361 94 F C -2.218 173.539 175.800 -0.073 0.000 1.161 94 F CA -2.792 55.165 58.000 -0.070 0.000 1.198 94 F CB 1.085 40.047 39.000 -0.064 0.000 1.424 94 F HN 0.004 nan 8.300 nan 0.000 0.517 95 P HA -0.120 nan 4.420 nan 0.000 0.218 95 P C 1.899 179.219 177.300 0.034 0.000 1.149 95 P CA 1.340 64.441 63.100 0.001 0.000 0.817 95 P CB 0.344 32.037 31.700 -0.012 0.000 0.785 96 R N -0.926 119.609 120.500 0.058 0.000 2.062 96 R HA 0.042 4.382 4.340 -0.000 0.000 0.226 96 R C 2.307 178.646 176.300 0.065 0.000 1.125 96 R CA 1.164 57.295 56.100 0.051 0.000 0.966 96 R CB -0.685 29.633 30.300 0.031 0.000 0.861 96 R HN 0.136 nan 8.270 nan 0.000 0.433 97 M N 0.772 120.417 119.600 0.075 0.000 2.213 97 M HA -0.183 4.297 4.480 -0.000 0.000 0.263 97 M C 1.621 177.969 176.300 0.080 0.000 1.062 97 M CA 1.602 56.940 55.300 0.063 0.000 1.105 97 M CB -0.114 32.516 32.600 0.050 0.000 1.385 97 M HN 0.047 nan 8.290 nan 0.000 0.417 98 N N 0.892 119.637 118.700 0.076 0.000 2.120 98 N HA -0.201 4.539 4.740 -0.000 0.000 0.188 98 N C 1.355 176.933 175.510 0.113 0.000 1.024 98 N CA 1.690 54.775 53.050 0.058 0.000 0.852 98 N CB -0.405 38.075 38.487 -0.012 0.000 1.003 98 N HN 0.400 nan 8.380 nan 0.000 0.424 99 N N -0.003 118.768 118.700 0.118 0.000 2.223 99 N HA -0.101 4.639 4.740 -0.000 0.000 0.185 99 N C 1.703 177.370 175.510 0.262 0.000 1.016 99 N CA 0.883 54.048 53.050 0.192 0.000 0.863 99 N CB -0.207 38.410 38.487 0.216 0.000 0.983 99 N HN 0.379 nan 8.380 nan 0.000 0.429 100 M N -0.527 119.186 119.600 0.188 0.000 2.175 100 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 100 M C 1.729 178.095 176.300 0.110 0.000 1.063 100 M CA 1.145 56.545 55.300 0.167 0.000 1.119 100 M CB -0.043 32.613 32.600 0.094 0.000 1.377 100 M HN 0.028 nan 8.290 nan 0.000 0.415 101 S N 0.489 116.254 115.700 0.109 0.000 2.374 101 S HA -0.193 4.277 4.470 -0.000 0.000 0.227 101 S C 1.498 176.106 174.600 0.014 0.000 1.037 101 S CA 1.750 60.020 58.200 0.117 0.000 1.024 101 S CB -0.651 62.681 63.200 0.220 0.000 0.861 101 S HN 0.643 nan 8.310 nan 0.000 0.456 102 F N 0.698 120.523 119.950 -0.208 0.000 2.098 102 F HA -0.003 4.524 4.527 -0.000 0.000 0.294 102 F C 1.672 177.109 175.800 -0.605 0.000 1.107 102 F CA 0.930 58.500 58.000 -0.716 0.000 1.234 102 F CB -0.639 37.758 39.000 -1.004 0.000 1.002 102 F HN 0.199 nan 8.300 nan 0.000 0.472 103 W N 0.576 121.681 121.300 -0.325 0.000 2.538 103 W HA -0.055 4.605 4.660 -0.000 0.000 0.254 103 W C 1.968 178.304 176.519 -0.305 0.000 1.249 103 W CA 0.415 57.569 57.345 -0.319 0.000 1.253 103 W CB -0.377 29.064 29.460 -0.033 0.000 1.130 103 W HN 0.069 nan 8.180 nan 0.000 0.618 104 L N -0.866 120.278 121.223 -0.133 0.000 2.313 104 L HA -0.149 4.191 4.340 -0.000 0.000 0.214 104 L C 2.122 178.902 176.870 -0.149 0.000 1.119 104 L CA 0.195 54.990 54.840 -0.075 0.000 0.809 104 L CB -0.467 41.575 42.059 -0.028 0.000 0.933 104 L HN 0.003 nan 8.230 nan 0.000 0.449 105 L N 0.315 121.294 121.223 -0.406 0.000 1.994 105 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 105 L C -0.192 176.498 176.870 -0.301 0.000 1.071 105 L CA 2.193 56.752 54.840 -0.468 0.000 0.745 105 L CB -1.860 39.551 42.059 -1.081 0.000 0.892 105 L HN 0.069 nan 8.230 nan 0.000 0.431 106 P HA -0.106 nan 4.420 nan 0.000 0.215 106 P C -1.285 176.068 177.300 0.088 0.000 1.157 106 P CA 1.786 64.919 63.100 0.056 0.000 0.868 106 P CB -0.889 30.848 31.700 0.061 0.000 0.788 107 P HA -0.164 nan 4.420 nan 0.000 0.215 107 P C 1.904 179.250 177.300 0.078 0.000 1.153 107 P CA 1.772 64.905 63.100 0.056 0.000 0.853 107 P CB -0.476 31.248 31.700 0.039 0.000 0.788 108 S N -1.831 113.923 115.700 0.090 0.000 2.370 108 S HA -0.194 4.276 4.470 -0.000 0.000 0.226 108 S C 1.834 176.519 174.600 0.142 0.000 1.033 108 S CA 0.989 59.280 58.200 0.152 0.000 1.011 108 S CB -1.006 62.340 63.200 0.243 0.000 0.852 108 S HN -0.081 nan 8.310 nan 0.000 0.457 109 F N 1.885 121.715 119.950 -0.200 0.000 2.146 109 F HA 0.057 4.584 4.527 -0.000 0.000 0.298 109 F C 1.942 177.647 175.800 -0.158 0.000 1.096 109 F CA 0.853 58.570 58.000 -0.472 0.000 1.275 109 F CB -1.217 37.546 39.000 -0.395 0.000 1.008 109 F HN 0.290 nan 8.300 nan 0.000 0.480 110 L N 0.460 121.753 121.223 0.117 0.000 1.990 110 L HA -0.234 4.106 4.340 -0.000 0.000 0.213 110 L C 2.265 179.180 176.870 0.076 0.000 1.072 110 L CA 1.905 56.767 54.840 0.036 0.000 0.755 110 L CB -1.136 40.938 42.059 0.026 0.000 0.889 110 L HN 0.173 nan 8.230 nan 0.000 0.432 111 L N -1.251 120.031 121.223 0.098 0.000 2.127 111 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 111 L C 2.489 179.434 176.870 0.125 0.000 1.089 111 L CA 1.143 56.048 54.840 0.110 0.000 0.757 111 L CB -0.660 41.473 42.059 0.124 0.000 0.899 111 L HN 0.391 nan 8.230 nan 0.000 0.434 112 L N -0.432 120.889 121.223 0.164 0.000 2.072 112 L HA -0.143 4.197 4.340 -0.000 0.000 0.205 112 L C 2.270 179.261 176.870 0.201 0.000 1.079 112 L CA 1.545 56.505 54.840 0.201 0.000 0.752 112 L CB -0.240 42.005 42.059 0.309 0.000 0.906 112 L HN 0.090 nan 8.230 nan 0.000 0.436 113 L N -0.689 120.640 121.223 0.177 0.000 2.141 113 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 113 L C 2.624 179.545 176.870 0.084 0.000 1.094 113 L CA 0.979 55.883 54.840 0.106 0.000 0.763 113 L CB -0.865 41.192 42.059 -0.005 0.000 0.908 113 L HN 0.372 nan 8.230 nan 0.000 0.437 114 A N 0.106 122.974 122.820 0.080 0.000 1.930 114 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 114 A C 2.531 180.165 177.584 0.082 0.000 1.175 114 A CA 1.731 53.810 52.037 0.071 0.000 0.627 114 A CB -0.628 18.412 19.000 0.068 0.000 0.815 114 A HN 0.495 nan 8.150 nan 0.000 0.443 115 S N 0.564 116.323 115.700 0.097 0.000 2.419 115 S HA -0.150 4.320 4.470 -0.000 0.000 0.233 115 S C 1.857 176.516 174.600 0.100 0.000 1.016 115 S CA 1.817 60.074 58.200 0.095 0.000 0.974 115 S CB -0.719 62.537 63.200 0.094 0.000 0.786 115 S HN 0.937 nan 8.310 nan 0.000 0.492 116 S N 0.032 115.795 115.700 0.106 0.000 2.575 116 S HA 0.314 4.784 4.470 -0.000 0.000 0.215 116 S C 1.583 176.233 174.600 0.082 0.000 0.966 116 S CA -0.078 58.184 58.200 0.102 0.000 0.911 116 S CB -0.325 62.943 63.200 0.114 0.000 0.780 116 S HN 0.540 nan 8.310 nan 0.000 0.514 117 M N 1.439 121.083 119.600 0.073 0.000 2.615 117 M HA 0.241 4.721 4.480 -0.000 0.000 0.262 117 M C 0.725 177.059 176.300 0.056 0.000 1.198 117 M CA 0.256 55.592 55.300 0.059 0.000 1.165 117 M CB 0.386 33.016 32.600 0.050 0.000 1.310 117 M HN 0.345 nan 8.290 nan 0.000 0.494 118 V N -0.430 119.521 119.914 0.061 0.000 2.834 118 V HA 0.316 4.436 4.120 -0.000 0.000 0.301 118 V C 0.694 176.826 176.094 0.062 0.000 1.066 118 V CA -0.986 61.349 62.300 0.058 0.000 1.052 118 V CB 0.785 32.644 31.823 0.060 0.000 1.021 118 V HN 0.513 nan 8.190 nan 0.000 0.480 119 E N 2.514 122.747 120.200 0.054 0.000 3.401 119 E HA -0.351 3.999 4.350 -0.000 0.000 0.352 119 E C 0.943 177.577 176.600 0.057 0.000 1.523 119 E CA 2.117 58.549 56.400 0.053 0.000 1.794 119 E CB -1.610 28.126 29.700 0.060 0.000 1.792 119 E HN 1.531 nan 8.360 nan 0.000 0.471 120 A N 1.554 124.414 122.820 0.066 0.000 2.574 120 A HA 0.512 4.832 4.320 -0.000 0.000 0.283 120 A C 0.883 178.531 177.584 0.108 0.000 1.270 120 A CA 1.411 53.491 52.037 0.071 0.000 0.945 120 A CB -0.133 18.895 19.000 0.045 0.000 1.127 120 A HN 1.337 nan 8.150 nan 0.000 0.522 121 G N -0.912 107.958 108.800 0.116 0.000 2.877 121 G HA2 0.271 4.231 3.960 -0.000 0.000 0.279 121 G HA3 0.271 4.231 3.960 -0.000 0.000 0.279 121 G C 0.143 175.148 174.900 0.174 0.000 1.431 121 G CA -0.282 44.895 45.100 0.130 0.000 0.883 121 G HN 1.774 nan 8.290 nan 0.000 0.547 122 A N 0.258 123.154 122.820 0.126 0.000 2.366 122 A HA 0.722 5.042 4.320 -0.000 0.000 0.322 122 A C 0.921 178.527 177.584 0.038 0.000 1.397 122 A CA 0.816 52.870 52.037 0.029 0.000 0.984 122 A CB 0.400 19.397 19.000 -0.004 0.000 1.149 122 A HN 2.305 nan 8.150 nan 0.000 0.540 123 G N 1.602 110.483 108.800 0.136 0.000 4.198 123 G HA2 0.343 4.303 3.960 -0.000 0.000 0.282 123 G HA3 0.343 4.303 3.960 -0.000 0.000 0.282 123 G C 0.742 175.676 174.900 0.057 0.000 1.262 123 G CA 0.533 45.717 45.100 0.141 0.000 1.473 123 G HN 0.772 nan 8.290 nan 0.000 0.624 124 T N -2.805 111.677 114.554 -0.119 0.000 3.022 124 T HA 0.479 4.829 4.350 -0.000 0.000 0.250 124 T C 1.217 175.832 174.700 -0.142 0.000 1.060 124 T CA 0.507 62.509 62.100 -0.163 0.000 1.013 124 T CB 0.562 69.264 68.868 -0.277 0.000 0.982 124 T HN 1.512 nan 8.240 nan 0.000 0.508 125 G N 1.491 110.229 108.800 -0.105 0.000 2.690 125 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.686 125 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.686 125 G C 0.218 174.992 174.900 -0.209 0.000 1.277 125 G CA -0.252 44.771 45.100 -0.129 0.000 0.799 125 G HN 0.577 nan 8.290 nan 0.000 0.613 126 W N 0.579 121.613 121.300 -0.444 0.000 2.611 126 W HA -0.044 4.616 4.660 -0.000 0.000 0.251 126 W C 1.500 177.793 176.519 -0.377 0.000 1.265 126 W CA 2.057 58.981 57.345 -0.701 0.000 1.295 126 W CB -1.435 27.548 29.460 -0.795 0.000 1.129 126 W HN 1.058 nan 8.180 nan 0.000 0.630 127 T N -0.584 113.357 114.554 -1.022 0.000 3.088 127 T HA -0.005 4.345 4.350 -0.000 0.000 0.259 127 T C 1.448 175.607 174.700 -0.902 0.000 1.122 127 T CA 0.672 61.848 62.100 -1.540 0.000 1.095 127 T CB -0.752 67.190 68.868 -1.542 0.000 0.930 127 T HN 0.434 nan 8.240 nan 0.000 0.508 128 V N 1.548 121.168 119.914 -0.489 0.000 5.257 128 V HA -0.221 3.899 4.120 -0.000 0.000 0.265 128 V C -0.644 175.198 176.094 -0.421 0.000 0.646 128 V CA 0.068 62.177 62.300 -0.318 0.000 0.650 128 V CB -2.389 29.350 31.823 -0.139 0.000 0.424 128 V HN 0.565 nan 8.190 nan 0.000 0.862 129 Y N 3.044 123.030 120.300 -0.522 0.000 2.497 129 Y HA 0.508 5.058 4.550 -0.000 0.000 0.334 129 Y C -1.046 174.543 175.900 -0.518 0.000 1.199 129 Y CA -2.247 55.489 58.100 -0.607 0.000 1.425 129 Y CB 0.344 38.631 38.460 -0.289 0.000 1.291 129 Y HN 0.391 nan 8.280 nan 0.000 0.562 130 P HA 0.279 nan 4.420 nan 0.000 0.285 130 P C -2.390 174.850 177.300 -0.100 0.000 1.269 130 P CA -2.005 60.946 63.100 -0.249 0.000 0.844 130 P CB 1.748 33.280 31.700 -0.281 0.000 1.094 131 P HA 0.015 nan 4.420 nan 0.000 0.229 131 P C 1.588 178.909 177.300 0.036 0.000 1.160 131 P CA 0.195 63.306 63.100 0.019 0.000 0.777 131 P CB -0.087 31.638 31.700 0.043 0.000 0.814 132 L N 0.261 121.512 121.223 0.047 0.000 2.129 132 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 132 L C 1.929 178.891 176.870 0.152 0.000 1.087 132 L CA 2.017 56.924 54.840 0.112 0.000 0.757 132 L CB -1.230 40.892 42.059 0.106 0.000 0.896 132 L HN -0.063 nan 8.230 nan 0.000 0.434 133 A N -1.114 121.696 122.820 -0.015 0.000 2.275 133 A HA 0.422 4.742 4.320 -0.000 0.000 0.212 133 A C 1.404 178.971 177.584 -0.028 0.000 1.201 133 A CA 0.334 52.311 52.037 -0.101 0.000 0.843 133 A CB -1.080 17.780 19.000 -0.234 0.000 0.873 133 A HN 0.458 nan 8.150 nan 0.000 0.492 134 G N 0.224 109.035 108.800 0.019 0.000 2.651 134 G HA2 0.243 4.203 3.960 -0.000 0.000 0.260 134 G HA3 0.243 4.203 3.960 -0.000 0.000 0.260 134 G C 0.545 175.484 174.900 0.065 0.000 1.216 134 G CA 0.131 45.256 45.100 0.041 0.000 0.913 134 G HN 0.478 nan 8.290 nan 0.000 0.535 135 N N -0.495 118.237 118.700 0.054 0.000 2.609 135 N HA -0.031 4.709 4.740 -0.000 0.000 0.190 135 N C 1.386 176.922 175.510 0.044 0.000 1.157 135 N CA 0.613 53.694 53.050 0.051 0.000 0.918 135 N CB 0.131 38.642 38.487 0.040 0.000 0.978 135 N HN 0.386 nan 8.380 nan 0.000 0.448 136 L N -0.815 120.433 121.223 0.043 0.000 2.356 136 L HA 0.353 4.693 4.340 -0.000 0.000 0.193 136 L C 2.159 179.037 176.870 0.013 0.000 1.087 136 L CA 0.619 55.475 54.840 0.027 0.000 0.817 136 L CB -0.341 41.734 42.059 0.027 0.000 1.035 136 L HN 0.183 nan 8.230 nan 0.000 0.482 137 A N -1.739 121.096 122.820 0.025 0.000 2.119 137 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 137 A C 0.432 177.950 177.584 -0.110 0.000 1.153 137 A CA 1.069 53.099 52.037 -0.012 0.000 0.692 137 A CB -0.515 18.512 19.000 0.045 0.000 0.799 137 A HN 0.587 nan 8.150 nan 0.000 0.458 138 H N -1.141 117.934 119.070 0.009 0.000 2.616 138 H HA 0.536 5.092 4.556 -0.000 0.000 0.229 138 H C 0.153 175.487 175.328 0.010 0.000 1.418 138 H CA -0.053 56.001 56.048 0.009 0.000 1.248 138 H CB 0.400 30.163 29.762 0.001 0.000 1.822 138 H HN 0.433 nan 8.280 nan 0.000 0.522 139 A N 0.888 123.737 122.820 0.048 0.000 2.425 139 A HA 0.594 4.914 4.320 -0.000 0.000 0.242 139 A C 0.989 178.607 177.584 0.057 0.000 1.077 139 A CA 0.753 52.819 52.037 0.048 0.000 0.781 139 A CB -0.127 18.887 19.000 0.023 0.000 1.020 139 A HN 0.825 nan 8.150 nan 0.000 0.494 140 G N -1.211 107.622 108.800 0.055 0.000 2.479 140 G HA2 0.394 4.354 3.960 -0.000 0.000 0.686 140 G HA3 0.394 4.354 3.960 -0.000 0.000 0.686 140 G C 0.588 175.525 174.900 0.063 0.000 1.295 140 G CA 0.104 45.238 45.100 0.058 0.000 0.922 140 G HN 1.953 nan 8.290 nan 0.000 0.582 141 A N -0.106 122.752 122.820 0.064 0.000 2.121 141 A HA 0.274 4.594 4.320 -0.000 0.000 0.218 141 A C 2.679 180.301 177.584 0.064 0.000 1.154 141 A CA 2.591 54.669 52.037 0.068 0.000 0.679 141 A CB -0.600 18.447 19.000 0.078 0.000 0.795 141 A HN 1.546 nan 8.150 nan 0.000 0.458 142 S N -0.250 115.493 115.700 0.073 0.000 2.365 142 S HA -0.193 4.277 4.470 -0.000 0.000 0.221 142 S C 1.880 176.495 174.600 0.025 0.000 1.037 142 S CA 1.779 60.021 58.200 0.071 0.000 1.060 142 S CB -0.608 62.657 63.200 0.109 0.000 0.974 142 S HN 0.381 nan 8.310 nan 0.000 0.427 143 V N 2.450 122.363 119.914 -0.003 0.000 2.490 143 V HA -0.167 3.953 4.120 -0.000 0.000 0.250 143 V C 1.937 177.955 176.094 -0.126 0.000 1.061 143 V CA 1.732 63.985 62.300 -0.078 0.000 1.064 143 V CB -0.726 31.036 31.823 -0.103 0.000 0.670 143 V HN 0.400 nan 8.190 nan 0.000 0.461 144 D N -0.098 120.235 120.400 -0.111 0.000 2.178 144 D HA -0.076 4.564 4.640 -0.000 0.000 0.202 144 D C 2.116 178.285 176.300 -0.220 0.000 0.974 144 D CA 0.985 54.840 54.000 -0.242 0.000 0.841 144 D CB -0.065 40.655 40.800 -0.133 0.000 0.953 144 D HN 0.352 nan 8.370 nan 0.000 0.478 145 L N 0.501 121.725 121.223 0.001 0.000 2.156 145 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 145 L C 2.433 179.323 176.870 0.034 0.000 1.095 145 L CA 0.934 55.845 54.840 0.118 0.000 0.770 145 L CB -0.365 41.763 42.059 0.116 0.000 0.914 145 L HN -0.008 nan 8.230 nan 0.000 0.439 146 T N 0.034 114.555 114.554 -0.056 0.000 2.777 146 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 146 T C 1.914 176.459 174.700 -0.257 0.000 1.040 146 T CA 1.183 63.203 62.100 -0.133 0.000 1.141 146 T CB -0.096 68.711 68.868 -0.102 0.000 0.868 146 T HN 0.181 nan 8.240 nan 0.000 0.444 147 I N 0.246 120.627 120.570 -0.314 0.000 2.226 147 I HA -0.133 4.037 4.170 -0.000 0.000 0.245 147 I C 1.946 177.822 176.117 -0.402 0.000 1.100 147 I CA 1.289 62.320 61.300 -0.449 0.000 1.374 147 I CB -0.326 37.344 38.000 -0.551 0.000 1.057 147 I HN 0.173 nan 8.210 nan 0.000 0.413 148 F N 0.463 120.329 119.950 -0.140 0.000 2.234 148 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 148 F C 2.943 178.719 175.800 -0.039 0.000 1.087 148 F CA 1.402 59.386 58.000 -0.027 0.000 1.340 148 F CB -1.193 37.824 39.000 0.027 0.000 1.031 148 F HN 0.047 nan 8.300 nan 0.000 0.500 149 S N 0.082 115.837 115.700 0.091 0.000 2.368 149 S HA -0.148 4.322 4.470 -0.000 0.000 0.225 149 S C 2.099 176.653 174.600 -0.077 0.000 1.030 149 S CA 0.963 59.189 58.200 0.044 0.000 0.999 149 S CB -0.385 62.826 63.200 0.017 0.000 0.844 149 S HN 0.152 nan 8.310 nan 0.000 0.459 150 L N 1.274 122.328 121.223 -0.282 0.000 2.141 150 L HA 0.055 4.395 4.340 -0.000 0.000 0.209 150 L C 2.211 178.951 176.870 -0.216 0.000 1.094 150 L CA 1.735 56.308 54.840 -0.445 0.000 0.763 150 L CB -1.376 40.334 42.059 -0.581 0.000 0.908 150 L HN 0.512 nan 8.230 nan 0.000 0.437 151 H N -1.531 117.481 119.070 -0.098 0.000 2.326 151 H HA -0.073 4.483 4.556 -0.000 0.000 0.301 151 H C 2.183 177.499 175.328 -0.021 0.000 1.081 151 H CA 0.913 56.941 56.048 -0.034 0.000 1.334 151 H CB 0.190 29.997 29.762 0.075 0.000 1.385 151 H HN 0.179 nan 8.280 nan 0.000 0.504 152 L N -0.036 121.272 121.223 0.142 0.000 2.093 152 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 152 L C 2.802 179.706 176.870 0.057 0.000 1.085 152 L CA 0.802 55.691 54.840 0.081 0.000 0.755 152 L CB -0.525 41.581 42.059 0.079 0.000 0.904 152 L HN 0.340 nan 8.230 nan 0.000 0.435 153 A N 0.461 123.302 122.820 0.035 0.000 1.930 153 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 153 A C 2.397 180.011 177.584 0.050 0.000 1.175 153 A CA 1.593 53.650 52.037 0.033 0.000 0.627 153 A CB -1.007 17.945 19.000 -0.080 0.000 0.815 153 A HN 0.428 nan 8.150 nan 0.000 0.443 154 G N -0.516 108.292 108.800 0.015 0.000 2.404 154 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.215 154 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.215 154 G C 1.510 176.441 174.900 0.052 0.000 1.174 154 G CA 1.165 46.285 45.100 0.032 0.000 0.780 154 G HN 0.289 nan 8.290 nan 0.000 0.537 155 V N 0.968 120.908 119.914 0.043 0.000 2.332 155 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 155 V C 3.064 179.188 176.094 0.050 0.000 1.055 155 V CA 2.288 64.608 62.300 0.033 0.000 1.038 155 V CB -0.485 31.346 31.823 0.015 0.000 0.651 155 V HN 0.504 nan 8.190 nan 0.000 0.450 156 S N -0.138 115.598 115.700 0.060 0.000 2.353 156 S HA -0.239 4.231 4.470 -0.000 0.000 0.222 156 S C 2.187 176.858 174.600 0.119 0.000 1.035 156 S CA 2.345 60.593 58.200 0.080 0.000 1.025 156 S CB -0.385 62.856 63.200 0.070 0.000 0.902 156 S HN 0.612 nan 8.310 nan 0.000 0.440 157 S N 0.898 116.673 115.700 0.125 0.000 2.423 157 S HA 0.092 4.562 4.470 -0.000 0.000 0.231 157 S C 1.726 176.405 174.600 0.132 0.000 1.014 157 S CA 1.155 59.441 58.200 0.142 0.000 0.965 157 S CB -0.380 62.906 63.200 0.143 0.000 0.785 157 S HN 0.521 nan 8.310 nan 0.000 0.495 158 I N 0.608 121.240 120.570 0.104 0.000 2.233 158 I HA -0.126 4.044 4.170 -0.000 0.000 0.243 158 I C 1.863 178.032 176.117 0.087 0.000 1.093 158 I CA 0.737 62.091 61.300 0.090 0.000 1.380 158 I CB -0.183 37.854 38.000 0.062 0.000 1.067 158 I HN 0.223 nan 8.210 nan 0.000 0.413 159 L N 0.726 121.994 121.223 0.075 0.000 2.083 159 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 159 L C 2.531 179.457 176.870 0.093 0.000 1.083 159 L CA 2.025 56.904 54.840 0.064 0.000 0.752 159 L CB -1.563 40.526 42.059 0.050 0.000 0.899 159 L HN 0.227 nan 8.230 nan 0.000 0.433 160 G N -1.420 107.456 108.800 0.126 0.000 2.422 160 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 160 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 160 G C 1.696 176.737 174.900 0.235 0.000 1.146 160 G CA 0.783 45.971 45.100 0.147 0.000 0.769 160 G HN 0.501 nan 8.290 nan 0.000 0.547 161 A N 0.760 123.720 122.820 0.233 0.000 1.902 161 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 161 A C 2.379 180.075 177.584 0.187 0.000 1.181 161 A CA 1.188 53.365 52.037 0.234 0.000 0.623 161 A CB -0.333 18.762 19.000 0.158 0.000 0.818 161 A HN 0.375 nan 8.150 nan 0.000 0.443 162 I N -0.227 120.430 120.570 0.144 0.000 2.226 162 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 162 I C 2.446 178.679 176.117 0.192 0.000 1.100 162 I CA 1.404 62.791 61.300 0.144 0.000 1.374 162 I CB -0.381 37.681 38.000 0.104 0.000 1.057 162 I HN 0.351 nan 8.210 nan 0.000 0.413 163 N N 1.070 119.864 118.700 0.157 0.000 2.058 163 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 163 N C 1.786 177.227 175.510 -0.116 0.000 1.037 163 N CA 1.764 54.837 53.050 0.038 0.000 0.848 163 N CB -0.293 38.134 38.487 -0.100 0.000 1.021 163 N HN 0.126 nan 8.380 nan 0.000 0.422 164 F N 0.940 120.880 119.950 -0.017 0.000 2.134 164 F HA 0.014 4.541 4.527 -0.000 0.000 0.299 164 F C 2.242 177.991 175.800 -0.085 0.000 1.097 164 F CA 0.762 58.719 58.000 -0.071 0.000 1.264 164 F CB -0.412 38.545 39.000 -0.071 0.000 1.001 164 F HN 0.056 nan 8.300 nan 0.000 0.479 165 I N -0.972 119.682 120.570 0.141 0.000 2.252 165 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 165 I C 2.242 178.355 176.117 -0.006 0.000 1.102 165 I CA 1.515 62.845 61.300 0.050 0.000 1.385 165 I CB -0.897 37.138 38.000 0.060 0.000 1.064 165 I HN 0.080 nan 8.210 nan 0.000 0.414 166 T N 0.122 114.677 114.554 0.001 0.000 2.746 166 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 166 T C 1.929 176.536 174.700 -0.154 0.000 1.039 166 T CA 2.043 64.109 62.100 -0.056 0.000 1.142 166 T CB -0.368 68.480 68.868 -0.033 0.000 0.866 166 T HN 0.361 nan 8.240 nan 0.000 0.444 167 T N 2.278 116.717 114.554 -0.192 0.000 2.643 167 T HA 0.018 4.368 4.350 -0.000 0.000 0.264 167 T C 1.990 176.592 174.700 -0.163 0.000 1.045 167 T CA 1.050 63.021 62.100 -0.215 0.000 1.155 167 T CB -0.478 68.256 68.868 -0.222 0.000 0.863 167 T HN 0.310 nan 8.240 nan 0.000 0.420 168 I N 0.322 120.818 120.570 -0.123 0.000 2.423 168 I HA -0.112 4.058 4.170 -0.000 0.000 0.254 168 I C 2.080 178.084 176.117 -0.189 0.000 1.151 168 I CA 1.243 62.450 61.300 -0.155 0.000 1.421 168 I CB -0.297 37.610 38.000 -0.154 0.000 1.079 168 I HN 0.252 nan 8.210 nan 0.000 0.431 169 I N -0.023 120.452 120.570 -0.157 0.000 2.731 169 I HA -0.132 4.038 4.170 -0.000 0.000 0.260 169 I C 1.952 177.991 176.117 -0.130 0.000 1.138 169 I CA 0.825 62.035 61.300 -0.151 0.000 1.461 169 I CB -0.077 37.857 38.000 -0.110 0.000 1.128 169 I HN 0.199 nan 8.210 nan 0.000 0.438 170 N N 0.496 119.121 118.700 -0.126 0.000 2.356 170 N HA 0.113 4.853 4.740 -0.000 0.000 0.178 170 N C 1.055 176.488 175.510 -0.128 0.000 1.075 170 N CA 0.581 53.562 53.050 -0.116 0.000 0.889 170 N CB 0.318 38.738 38.487 -0.112 0.000 0.999 170 N HN 0.111 nan 8.380 nan 0.000 0.464 171 M N 0.277 119.787 119.600 -0.151 0.000 2.771 171 M HA 0.233 4.713 4.480 -0.000 0.000 0.341 171 M C -0.537 175.667 176.300 -0.161 0.000 1.226 171 M CA -0.154 55.053 55.300 -0.156 0.000 0.955 171 M CB 0.653 33.145 32.600 -0.180 0.000 1.318 171 M HN -0.161 nan 8.290 nan 0.000 0.514 172 K N 0.893 121.204 120.400 -0.149 0.000 2.095 172 K HA 0.519 4.839 4.320 -0.000 0.000 0.252 172 K C -2.473 174.051 176.600 -0.127 0.000 0.977 172 K CA -1.768 54.430 56.287 -0.149 0.000 0.900 172 K CB 0.517 32.932 32.500 -0.142 0.000 1.060 172 K HN -0.136 nan 8.250 nan 0.000 0.449 173 P HA -0.004 nan 4.420 nan 0.000 0.265 173 P C -2.120 175.126 177.300 -0.091 0.000 1.193 173 P CA -0.821 62.218 63.100 -0.101 0.000 0.765 173 P CB 0.200 31.843 31.700 -0.094 0.000 0.823 174 P HA -0.249 nan 4.420 nan 0.000 0.217 174 P C 0.920 178.178 177.300 -0.069 0.000 1.148 174 P CA 1.830 64.886 63.100 -0.073 0.000 0.834 174 P CB -0.136 31.523 31.700 -0.068 0.000 0.783 175 A N -2.128 120.644 122.820 -0.079 0.000 2.178 175 A HA 0.097 4.417 4.320 -0.000 0.000 0.211 175 A C 1.234 178.789 177.584 -0.048 0.000 1.157 175 A CA 0.010 52.007 52.037 -0.067 0.000 0.780 175 A CB -0.777 18.167 19.000 -0.092 0.000 0.828 175 A HN 0.148 nan 8.150 nan 0.000 0.476 176 M N 2.267 121.833 119.600 -0.056 0.000 2.146 176 M HA 0.226 4.706 4.480 -0.000 0.000 0.352 176 M C 0.464 176.737 176.300 -0.046 0.000 1.343 176 M CA -0.205 55.069 55.300 -0.044 0.000 1.115 176 M CB 0.595 33.161 32.600 -0.058 0.000 1.657 176 M HN 0.440 nan 8.290 nan 0.000 0.471 177 S N 3.305 118.998 115.700 -0.013 0.000 2.681 177 S HA 0.172 4.642 4.470 -0.000 0.000 0.270 177 S C 0.599 175.146 174.600 -0.087 0.000 1.209 177 S CA -0.568 57.617 58.200 -0.024 0.000 0.988 177 S CB 1.444 64.689 63.200 0.076 0.000 1.006 177 S HN 0.809 nan 8.310 nan 0.000 0.558 178 Q N -0.338 119.314 119.800 -0.246 0.000 2.226 178 Q HA 0.012 4.352 4.340 -0.000 0.000 0.204 178 Q C 0.458 176.395 176.000 -0.105 0.000 0.975 178 Q CA 1.605 57.169 55.803 -0.398 0.000 0.866 178 Q CB -0.545 27.821 28.738 -0.619 0.000 0.915 178 Q HN 0.847 nan 8.270 nan 0.000 0.440 179 Y N -0.607 119.916 120.300 0.372 0.000 2.465 179 Y HA 0.151 4.701 4.550 -0.000 0.000 0.311 179 Y C 0.706 176.796 175.900 0.317 0.000 1.204 179 Y CA 0.283 58.694 58.100 0.519 0.000 1.272 179 Y CB 0.114 38.790 38.460 0.360 0.000 1.083 179 Y HN 0.134 nan 8.280 nan 0.000 0.508 180 Q N -0.588 119.370 119.800 0.263 0.000 2.118 180 Q HA 0.120 4.460 4.340 -0.000 0.000 0.219 180 Q C 0.240 176.311 176.000 0.118 0.000 0.794 180 Q CA -0.167 55.697 55.803 0.102 0.000 1.035 180 Q CB 0.919 29.684 28.738 0.046 0.000 1.177 180 Q HN 0.288 nan 8.270 nan 0.000 0.478 181 T N -1.830 112.849 114.554 0.208 0.000 2.907 181 T HA 0.559 4.909 4.350 -0.000 0.000 0.284 181 T C -2.595 172.341 174.700 0.394 0.000 1.004 181 T CA -2.188 60.002 62.100 0.150 0.000 1.063 181 T CB 1.495 70.301 68.868 -0.104 0.000 0.992 181 T HN -0.230 nan 8.240 nan 0.000 0.483 182 P HA 0.208 nan 4.420 nan 0.000 0.270 182 P C 1.104 178.796 177.300 0.653 0.000 1.223 182 P CA -0.555 62.860 63.100 0.526 0.000 0.785 182 P CB 0.456 32.492 31.700 0.560 0.000 0.923 183 L N 0.587 122.219 121.223 0.682 0.000 2.079 183 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 183 L C 2.159 179.366 176.870 0.562 0.000 1.081 183 L CA 1.507 56.692 54.840 0.576 0.000 0.752 183 L CB -0.660 41.658 42.059 0.432 0.000 0.896 183 L HN 0.383 nan 8.230 nan 0.000 0.433 184 F N 0.258 120.494 119.950 0.477 0.000 2.171 184 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 184 F C 2.196 178.060 175.800 0.105 0.000 1.090 184 F CA 1.339 59.421 58.000 0.137 0.000 1.293 184 F CB -0.241 38.610 39.000 -0.249 0.000 1.013 184 F HN -0.249 nan 8.300 nan 0.000 0.486 185 V N -1.057 118.907 119.914 0.083 0.000 2.427 185 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 185 V C 2.084 178.109 176.094 -0.115 0.000 1.051 185 V CA 1.969 64.202 62.300 -0.112 0.000 1.048 185 V CB -1.044 30.766 31.823 -0.021 0.000 0.666 185 V HN 0.497 nan 8.190 nan 0.000 0.456 186 W N 0.773 122.058 121.300 -0.025 0.000 2.358 186 W HA -0.217 4.443 4.660 -0.000 0.000 0.303 186 W C 3.034 179.506 176.519 -0.080 0.000 1.208 186 W CA 1.846 59.173 57.345 -0.030 0.000 1.274 186 W CB -0.380 29.088 29.460 0.013 0.000 1.138 186 W HN 0.354 nan 8.180 nan 0.000 0.515 187 S N 0.033 115.825 115.700 0.153 0.000 2.383 187 S HA -0.232 4.238 4.470 -0.000 0.000 0.229 187 S C 1.900 176.408 174.600 -0.153 0.000 1.030 187 S CA 1.624 59.844 58.200 0.034 0.000 1.002 187 S CB -1.147 62.093 63.200 0.068 0.000 0.829 187 S HN 0.218 nan 8.310 nan 0.000 0.467 188 V N 0.297 119.975 119.914 -0.394 0.000 2.951 188 V HA 0.169 4.289 4.120 -0.000 0.000 0.255 188 V C 2.174 178.092 176.094 -0.293 0.000 1.088 188 V CA 1.592 63.603 62.300 -0.481 0.000 1.109 188 V CB -0.557 30.763 31.823 -0.838 0.000 0.724 188 V HN 0.642 nan 8.190 nan 0.000 0.471 189 M N -0.160 119.341 119.600 -0.165 0.000 2.099 189 M HA -0.046 4.434 4.480 -0.000 0.000 0.262 189 M C 2.040 178.346 176.300 0.009 0.000 1.067 189 M CA 2.300 57.556 55.300 -0.075 0.000 1.124 189 M CB -0.188 32.354 32.600 -0.097 0.000 1.353 189 M HN 0.391 nan 8.290 nan 0.000 0.410 190 I N -0.263 120.351 120.570 0.074 0.000 2.226 190 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 190 I C 2.164 178.323 176.117 0.069 0.000 1.100 190 I CA 1.557 62.922 61.300 0.109 0.000 1.374 190 I CB -0.729 37.361 38.000 0.149 0.000 1.057 190 I HN 0.336 nan 8.210 nan 0.000 0.413 191 T N 0.839 115.398 114.554 0.009 0.000 2.684 191 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 191 T C 2.052 176.753 174.700 0.001 0.000 1.036 191 T CA 1.617 63.707 62.100 -0.017 0.000 1.148 191 T CB -0.366 68.439 68.868 -0.106 0.000 0.863 191 T HN 0.503 nan 8.240 nan 0.000 0.436 192 A N 0.795 123.599 122.820 -0.026 0.000 1.940 192 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 192 A C 2.582 180.214 177.584 0.080 0.000 1.176 192 A CA 1.383 53.439 52.037 0.032 0.000 0.631 192 A CB -0.974 18.055 19.000 0.048 0.000 0.814 192 A HN 0.373 nan 8.150 nan 0.000 0.446 193 V N -0.453 119.510 119.914 0.081 0.000 2.407 193 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 193 V C 2.478 178.659 176.094 0.145 0.000 1.055 193 V CA 1.775 64.133 62.300 0.097 0.000 1.049 193 V CB -0.693 31.184 31.823 0.089 0.000 0.662 193 V HN 0.477 nan 8.190 nan 0.000 0.455 194 L N -0.826 120.510 121.223 0.188 0.000 2.046 194 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 194 L C 2.198 179.218 176.870 0.250 0.000 1.077 194 L CA 1.743 56.767 54.840 0.306 0.000 0.747 194 L CB -0.790 41.393 42.059 0.207 0.000 0.896 194 L HN 0.231 nan 8.230 nan 0.000 0.432 195 L N -1.717 119.600 121.223 0.158 0.000 2.093 195 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 195 L C 2.425 179.399 176.870 0.173 0.000 1.085 195 L CA 0.653 55.588 54.840 0.159 0.000 0.755 195 L CB -0.473 41.657 42.059 0.120 0.000 0.904 195 L HN 0.238 nan 8.230 nan 0.000 0.435 196 L N -0.429 120.884 121.223 0.150 0.000 2.046 196 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 196 L C 2.168 179.118 176.870 0.134 0.000 1.077 196 L CA 1.769 56.682 54.840 0.123 0.000 0.747 196 L CB -0.175 41.942 42.059 0.096 0.000 0.896 196 L HN 0.139 nan 8.230 nan 0.000 0.432 197 L N -1.620 119.708 121.223 0.175 0.000 2.307 197 L HA 0.017 4.357 4.340 -0.000 0.000 0.211 197 L C 2.406 179.488 176.870 0.352 0.000 1.099 197 L CA 0.919 55.874 54.840 0.191 0.000 0.816 197 L CB -0.483 41.593 42.059 0.028 0.000 0.952 197 L HN 0.432 nan 8.230 nan 0.000 0.455 198 S N -0.720 115.221 115.700 0.401 0.000 2.468 198 S HA -0.025 4.445 4.470 -0.000 0.000 0.226 198 S C 1.890 176.691 174.600 0.335 0.000 1.051 198 S CA -0.021 58.412 58.200 0.389 0.000 0.943 198 S CB -0.255 63.081 63.200 0.227 0.000 0.810 198 S HN 0.107 nan 8.310 nan 0.000 0.509 199 L N 2.865 124.241 121.223 0.255 0.000 2.079 199 L HA 0.130 4.470 4.340 -0.000 0.000 0.210 199 L C -0.937 175.929 176.870 -0.006 0.000 1.081 199 L CA 1.290 56.173 54.840 0.072 0.000 0.752 199 L CB -1.878 40.233 42.059 0.087 0.000 0.896 199 L HN 0.257 nan 8.230 nan 0.000 0.433 200 P HA -0.078 nan 4.420 nan 0.000 0.218 200 P C 2.054 179.356 177.300 0.003 0.000 1.149 200 P CA 0.839 63.953 63.100 0.023 0.000 0.817 200 P CB 0.154 31.879 31.700 0.043 0.000 0.785 201 V N -0.479 119.462 119.914 0.045 0.000 2.453 201 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 201 V C 2.330 178.379 176.094 -0.075 0.000 1.048 201 V CA 1.299 63.607 62.300 0.013 0.000 1.049 201 V CB -1.167 30.735 31.823 0.131 0.000 0.672 201 V HN 0.062 nan 8.190 nan 0.000 0.457 202 L N 1.297 122.422 121.223 -0.162 0.000 2.017 202 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 202 L C 2.508 179.247 176.870 -0.217 0.000 1.073 202 L CA 2.399 57.025 54.840 -0.357 0.000 0.745 202 L CB -0.953 40.584 42.059 -0.869 0.000 0.894 202 L HN 0.197 nan 8.230 nan 0.000 0.432 203 A N -0.338 122.399 122.820 -0.138 0.000 1.948 203 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 203 A C 2.438 180.048 177.584 0.043 0.000 1.177 203 A CA 2.154 54.200 52.037 0.015 0.000 0.636 203 A CB -1.240 17.789 19.000 0.049 0.000 0.815 203 A HN 0.647 nan 8.150 nan 0.000 0.449 204 A N -0.700 122.104 122.820 -0.027 0.000 1.872 204 A HA 0.201 4.521 4.320 -0.000 0.000 0.214 204 A C 2.438 179.987 177.584 -0.057 0.000 1.187 204 A CA 1.784 53.792 52.037 -0.048 0.000 0.614 204 A CB -1.370 17.584 19.000 -0.077 0.000 0.826 204 A HN 0.728 nan 8.150 nan 0.000 0.442 205 G N 0.897 109.657 108.800 -0.066 0.000 2.421 205 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 205 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 205 G C 1.495 176.456 174.900 0.103 0.000 1.171 205 G CA 1.262 46.349 45.100 -0.022 0.000 0.775 205 G HN 0.848 nan 8.290 nan 0.000 0.543 206 I N -1.841 118.744 120.570 0.025 0.000 3.111 206 I HA 0.077 4.247 4.170 -0.000 0.000 0.272 206 I C 2.157 178.278 176.117 0.006 0.000 1.268 206 I CA 1.287 62.604 61.300 0.028 0.000 1.467 206 I CB -0.397 37.513 38.000 -0.151 0.000 1.087 206 I HN -0.086 nan 8.210 nan 0.000 0.467 207 T N 1.283 115.873 114.554 0.061 0.000 2.896 207 T HA 0.079 4.429 4.350 -0.000 0.000 0.263 207 T C 1.888 176.609 174.700 0.035 0.000 1.050 207 T CA 1.389 63.549 62.100 0.100 0.000 1.140 207 T CB -0.099 68.839 68.868 0.117 0.000 0.877 207 T HN 0.311 nan 8.240 nan 0.000 0.457 208 M N 0.426 120.005 119.600 -0.036 0.000 2.132 208 M HA 0.011 4.491 4.480 -0.000 0.000 0.263 208 M C 2.212 178.613 176.300 0.169 0.000 1.065 208 M CA 1.206 56.392 55.300 -0.190 0.000 1.122 208 M CB -0.403 31.839 32.600 -0.597 0.000 1.365 208 M HN 0.165 nan 8.290 nan 0.000 0.411 209 L N 0.529 121.978 121.223 0.377 0.000 2.083 209 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 209 L C 2.133 179.081 176.870 0.130 0.000 1.083 209 L CA 1.565 56.605 54.840 0.334 0.000 0.752 209 L CB -0.602 41.569 42.059 0.187 0.000 0.899 209 L HN 0.231 nan 8.230 nan 0.000 0.433 210 L N -0.930 120.324 121.223 0.053 0.000 2.093 210 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 210 L C 2.509 179.410 176.870 0.053 0.000 1.085 210 L CA 2.228 57.061 54.840 -0.011 0.000 0.755 210 L CB -0.785 41.234 42.059 -0.067 0.000 0.904 210 L HN 0.583 nan 8.230 nan 0.000 0.435 211 T N -4.757 109.859 114.554 0.104 0.000 2.857 211 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 211 T C 1.630 176.399 174.700 0.116 0.000 1.048 211 T CA 1.076 63.251 62.100 0.126 0.000 1.139 211 T CB -0.580 68.401 68.868 0.188 0.000 0.874 211 T HN 0.238 nan 8.240 nan 0.000 0.455 212 D N 1.537 122.024 120.400 0.145 0.000 2.178 212 D HA -0.017 4.623 4.640 -0.000 0.000 0.201 212 D C 2.418 178.762 176.300 0.074 0.000 0.980 212 D CA 0.888 54.953 54.000 0.108 0.000 0.842 212 D CB -0.157 40.739 40.800 0.161 0.000 0.948 212 D HN 0.487 nan 8.370 nan 0.000 0.472 213 R N -0.288 120.253 120.500 0.067 0.000 2.200 213 R HA 0.159 4.499 4.340 -0.000 0.000 0.208 213 R C 1.127 177.450 176.300 0.039 0.000 1.033 213 R CA 0.669 56.795 56.100 0.044 0.000 1.000 213 R CB 0.178 30.491 30.300 0.022 0.000 0.906 213 R HN 0.196 nan 8.270 nan 0.000 0.462 214 N N -0.889 117.838 118.700 0.045 0.000 2.166 214 N HA 0.048 4.788 4.740 -0.000 0.000 0.222 214 N C 0.152 175.689 175.510 0.045 0.000 1.282 214 N CA 0.141 53.218 53.050 0.046 0.000 0.890 214 N CB 0.900 39.421 38.487 0.056 0.000 1.114 214 N HN 0.006 nan 8.380 nan 0.000 0.494 215 L N 1.552 122.803 121.223 0.047 0.000 3.014 215 L HA 0.338 4.678 4.340 -0.000 0.000 0.263 215 L C 0.084 176.964 176.870 0.017 0.000 1.207 215 L CA 0.142 55.005 54.840 0.038 0.000 1.017 215 L CB -0.483 41.608 42.059 0.052 0.000 1.360 215 L HN -0.007 nan 8.230 nan 0.000 0.560 216 N N -0.197 118.510 118.700 0.012 0.000 2.725 216 N HA -0.169 4.571 4.740 -0.000 0.000 0.249 216 N C 0.441 175.924 175.510 -0.045 0.000 1.103 216 N CA 1.268 54.312 53.050 -0.010 0.000 0.707 216 N CB -1.409 37.070 38.487 -0.013 0.000 1.043 216 N HN 0.557 nan 8.380 nan 0.000 0.553 217 T N -2.852 111.672 114.554 -0.050 0.000 2.847 217 T HA 0.567 4.917 4.350 -0.000 0.000 0.279 217 T C 1.103 175.695 174.700 -0.179 0.000 0.984 217 T CA 0.091 62.090 62.100 -0.168 0.000 0.988 217 T CB 1.781 70.548 68.868 -0.169 0.000 1.040 217 T HN 0.240 nan 8.240 nan 0.000 0.528 218 T N -1.402 112.952 114.554 -0.334 0.000 3.741 218 T HA 0.340 4.690 4.350 -0.000 0.000 0.242 218 T C 0.357 174.879 174.700 -0.296 0.000 1.042 218 T CA -0.669 61.299 62.100 -0.219 0.000 1.278 218 T CB -0.886 67.894 68.868 -0.147 0.000 0.994 218 T HN 0.415 nan 8.240 nan 0.000 0.594 219 F N 0.670 120.412 119.950 -0.345 0.000 2.171 219 F HA 0.198 4.725 4.527 -0.000 0.000 0.300 219 F C 1.247 176.705 175.800 -0.570 0.000 1.090 219 F CA 0.884 58.526 58.000 -0.596 0.000 1.293 219 F CB -0.300 38.034 39.000 -1.110 0.000 1.013 219 F HN 0.389 nan 8.300 nan 0.000 0.486 220 F N -1.624 118.456 119.950 0.217 0.000 2.661 220 F HA 0.220 4.747 4.527 -0.000 0.000 0.306 220 F C 0.215 176.054 175.800 0.066 0.000 1.094 220 F CA -0.869 57.209 58.000 0.130 0.000 1.254 220 F CB -0.263 38.803 39.000 0.110 0.000 1.040 220 F HN -0.285 nan 8.300 nan 0.000 0.562 221 D N 1.664 122.149 120.400 0.141 0.000 2.373 221 D HA 0.238 4.878 4.640 -0.000 0.000 0.227 221 D C -1.944 174.387 176.300 0.052 0.000 1.091 221 D CA -2.409 51.642 54.000 0.084 0.000 0.840 221 D CB 2.018 42.844 40.800 0.044 0.000 1.060 221 D HN -0.082 nan 8.370 nan 0.000 0.502 222 P HA -0.114 nan 4.420 nan 0.000 0.219 222 P C 0.989 178.302 177.300 0.023 0.000 1.146 222 P CA 1.062 64.189 63.100 0.044 0.000 0.808 222 P CB 0.263 31.991 31.700 0.048 0.000 0.779 223 A N -0.166 122.665 122.820 0.018 0.000 1.940 223 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 223 A C 2.253 179.832 177.584 -0.008 0.000 1.176 223 A CA 2.049 54.090 52.037 0.006 0.000 0.631 223 A CB -1.643 17.360 19.000 0.006 0.000 0.814 223 A HN 0.332 nan 8.150 nan 0.000 0.446 224 G N -2.932 105.855 108.800 -0.021 0.000 3.233 224 G HA2 0.409 4.369 3.960 -0.000 0.000 0.234 224 G HA3 0.409 4.369 3.960 -0.000 0.000 0.234 224 G C 1.007 175.879 174.900 -0.048 0.000 1.137 224 G CA 0.545 45.618 45.100 -0.046 0.000 0.763 224 G HN 1.633 nan 8.290 nan 0.000 0.549 225 G N -1.095 107.693 108.800 -0.021 0.000 2.176 225 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.232 225 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.232 225 G C 0.830 175.732 174.900 0.003 0.000 0.986 225 G CA 0.157 45.251 45.100 -0.010 0.000 0.643 225 G HN 0.987 nan 8.290 nan 0.000 0.522 226 G N -0.667 108.132 108.800 -0.001 0.000 2.653 226 G HA2 0.460 4.420 3.960 -0.000 0.000 0.265 226 G HA3 0.460 4.420 3.960 -0.000 0.000 0.265 226 G C -0.676 174.289 174.900 0.108 0.000 1.237 226 G CA 0.663 45.785 45.100 0.037 0.000 0.946 226 G HN 0.451 nan 8.290 nan 0.000 0.522 227 D N -0.927 119.592 120.400 0.198 0.000 2.736 227 D HA 0.336 4.976 4.640 -0.000 0.000 0.243 227 D C -2.009 174.470 176.300 0.298 0.000 1.304 227 D CA -1.773 52.353 54.000 0.209 0.000 0.934 227 D CB 2.173 43.085 40.800 0.187 0.000 1.382 227 D HN -0.054 nan 8.370 nan 0.000 0.571 228 P HA -0.063 nan 4.420 nan 0.000 0.219 228 P C 1.608 178.909 177.300 0.001 0.000 1.146 228 P CA 0.411 63.573 63.100 0.103 0.000 0.808 228 P CB 0.372 32.090 31.700 0.030 0.000 0.779 229 I N -1.239 119.354 120.570 0.037 0.000 2.394 229 I HA -0.151 4.019 4.170 -0.000 0.000 0.251 229 I C 2.134 178.282 176.117 0.052 0.000 1.136 229 I CA 0.995 62.280 61.300 -0.025 0.000 1.425 229 I CB -1.567 36.443 38.000 0.017 0.000 1.079 229 I HN 0.008 nan 8.210 nan 0.000 0.425 230 L N 0.640 122.001 121.223 0.231 0.000 2.042 230 L HA -0.278 4.062 4.340 -0.000 0.000 0.210 230 L C 2.629 179.627 176.870 0.214 0.000 1.076 230 L CA 1.871 56.916 54.840 0.343 0.000 0.749 230 L CB -1.137 41.202 42.059 0.466 0.000 0.893 230 L HN 0.248 nan 8.230 nan 0.000 0.432 231 Y N 0.216 120.396 120.300 -0.199 0.000 2.165 231 Y HA -0.327 4.223 4.550 -0.000 0.000 0.286 231 Y C 2.569 178.292 175.900 -0.296 0.000 1.155 231 Y CA 2.297 60.017 58.100 -0.633 0.000 1.164 231 Y CB -0.275 37.439 38.460 -1.244 0.000 0.978 231 Y HN 0.399 nan 8.280 nan 0.000 0.513 232 Q N -1.137 118.548 119.800 -0.192 0.000 2.096 232 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 232 Q C 2.074 178.107 176.000 0.055 0.000 0.982 232 Q CA 1.569 57.276 55.803 -0.160 0.000 0.850 232 Q CB -0.370 28.201 28.738 -0.277 0.000 0.901 232 Q HN 0.620 nan 8.270 nan 0.000 0.422 233 H N 0.588 119.728 119.070 0.117 0.000 2.321 233 H HA -0.081 4.475 4.556 -0.000 0.000 0.300 233 H C 2.240 177.556 175.328 -0.021 0.000 1.087 233 H CA 1.231 57.402 56.048 0.204 0.000 1.319 233 H CB -0.231 29.658 29.762 0.211 0.000 1.379 233 H HN 0.209 nan 8.280 nan 0.000 0.501 234 L N -0.633 120.595 121.223 0.007 0.000 2.017 234 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 234 L C 2.560 179.331 176.870 -0.164 0.000 1.073 234 L CA 1.198 55.962 54.840 -0.126 0.000 0.745 234 L CB -0.618 41.341 42.059 -0.167 0.000 0.894 234 L HN 0.105 nan 8.230 nan 0.000 0.432 235 F N -0.182 119.464 119.950 -0.507 0.000 2.102 235 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 235 F C 2.007 177.599 175.800 -0.347 0.000 1.105 235 F CA 1.480 59.150 58.000 -0.550 0.000 1.239 235 F CB -0.348 38.129 39.000 -0.873 0.000 0.991 235 F HN -0.031 nan 8.300 nan 0.000 0.474 236 W N -1.268 120.096 121.300 0.108 0.000 2.699 236 W HA -0.090 4.570 4.660 -0.000 0.000 0.249 236 W C 2.040 178.531 176.519 -0.046 0.000 1.280 236 W CA 0.184 57.547 57.345 0.030 0.000 1.345 236 W CB -0.473 29.106 29.460 0.199 0.000 1.128 236 W HN 0.081 nan 8.180 nan 0.000 0.642 237 F N -0.268 119.607 119.950 -0.124 0.000 2.293 237 F HA -0.151 4.376 4.527 -0.000 0.000 0.300 237 F C 2.045 177.747 175.800 -0.164 0.000 1.086 237 F CA 1.347 59.156 58.000 -0.319 0.000 1.375 237 F CB -0.470 38.216 39.000 -0.523 0.000 1.045 237 F HN -0.030 nan 8.300 nan 0.000 0.516 238 F N 0.038 119.835 119.950 -0.256 0.000 2.317 238 F HA 0.254 4.781 4.527 -0.000 0.000 0.290 238 F C 2.243 177.811 175.800 -0.387 0.000 1.075 238 F CA 1.234 59.032 58.000 -0.336 0.000 1.380 238 F CB -1.149 37.640 39.000 -0.352 0.000 1.093 238 F HN -0.118 nan 8.300 nan 0.000 0.524 239 G N -0.260 108.051 108.800 -0.815 0.000 2.476 239 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.218 239 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.218 239 G C 1.495 176.186 174.900 -0.348 0.000 1.164 239 G CA 1.532 46.192 45.100 -0.734 0.000 0.768 239 G HN 0.562 nan 8.290 nan 0.000 0.560 240 H N 1.613 120.622 119.070 -0.101 0.000 2.307 240 H HA 0.031 4.587 4.556 -0.000 0.000 0.303 240 H C 0.258 175.502 175.328 -0.139 0.000 1.073 240 H CA 1.404 57.450 56.048 -0.003 0.000 1.338 240 H CB -0.674 29.163 29.762 0.126 0.000 1.389 240 H HN 0.261 nan 8.280 nan 0.000 0.503 241 P HA -0.181 nan 4.420 nan 0.000 0.216 241 P C 1.273 178.288 177.300 -0.474 0.000 1.150 241 P CA 2.073 64.851 63.100 -0.537 0.000 0.843 241 P CB 0.011 31.160 31.700 -0.917 0.000 0.787 242 E N -0.073 119.700 120.200 -0.711 0.000 2.130 242 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 242 E C 1.680 177.986 176.600 -0.490 0.000 0.998 242 E CA 1.615 57.622 56.400 -0.656 0.000 0.806 242 E CB -1.184 27.911 29.700 -1.009 0.000 0.738 242 E HN 0.142 nan 8.360 nan 0.000 0.459 243 V N -1.395 118.184 119.914 -0.559 0.000 2.667 243 V HA -0.143 3.977 4.120 -0.000 0.000 0.252 243 V C 1.788 177.513 176.094 -0.615 0.000 1.065 243 V CA 1.514 63.465 62.300 -0.581 0.000 1.083 243 V CB -1.017 30.438 31.823 -0.612 0.000 0.692 243 V HN 0.219 nan 8.190 nan 0.000 0.468 244 Y N 0.229 120.345 120.300 -0.306 0.000 2.395 244 Y HA 0.271 4.821 4.550 -0.000 0.000 0.293 244 Y C 2.282 178.062 175.900 -0.199 0.000 1.123 244 Y CA 1.171 59.159 58.100 -0.187 0.000 1.227 244 Y CB -0.337 38.073 38.460 -0.083 0.000 1.012 244 Y HN 0.193 nan 8.280 nan 0.000 0.552 245 I N -0.572 119.921 120.570 -0.128 0.000 2.493 245 I HA -0.256 3.914 4.170 -0.000 0.000 0.254 245 I C 1.673 177.686 176.117 -0.173 0.000 1.160 245 I CA 1.184 62.407 61.300 -0.127 0.000 1.445 245 I CB -0.168 37.747 38.000 -0.142 0.000 1.086 245 I HN 0.217 nan 8.210 nan 0.000 0.433 246 L N -0.565 120.514 121.223 -0.239 0.000 2.341 246 L HA -0.055 4.285 4.340 -0.000 0.000 0.214 246 L C 2.149 178.891 176.870 -0.212 0.000 1.115 246 L CA 0.562 55.262 54.840 -0.233 0.000 0.820 246 L CB 0.047 41.929 42.059 -0.295 0.000 0.944 246 L HN 0.220 nan 8.230 nan 0.000 0.452 247 I N -1.047 119.359 120.570 -0.273 0.000 3.526 247 I HA -0.034 4.136 4.170 -0.000 0.000 0.294 247 I C 1.979 177.790 176.117 -0.511 0.000 1.229 247 I CA 0.797 61.875 61.300 -0.370 0.000 1.408 247 I CB 0.225 37.938 38.000 -0.480 0.000 1.127 247 I HN 0.012 nan 8.210 nan 0.000 0.439 248 L N 1.288 122.297 121.223 -0.356 0.000 1.989 248 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 248 L C -0.406 176.463 176.870 -0.002 0.000 1.071 248 L CA 1.774 56.514 54.840 -0.168 0.000 0.749 248 L CB -1.895 40.160 42.059 -0.007 0.000 0.890 248 L HN 0.180 nan 8.230 nan 0.000 0.431 249 P HA -0.120 nan 4.420 nan 0.000 0.220 249 P C 1.474 178.866 177.300 0.154 0.000 1.148 249 P CA 1.551 64.683 63.100 0.054 0.000 0.803 249 P CB -0.138 31.571 31.700 0.015 0.000 0.782 250 G N -1.185 107.640 108.800 0.042 0.000 2.402 250 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 250 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 250 G C 1.197 176.131 174.900 0.057 0.000 1.162 250 G CA 0.313 45.420 45.100 0.013 0.000 0.777 250 G HN 0.102 nan 8.290 nan 0.000 0.539 251 F N 1.993 121.975 119.950 0.054 0.000 2.126 251 F HA 0.007 4.534 4.527 -0.000 0.000 0.299 251 F C 2.837 178.777 175.800 0.234 0.000 1.096 251 F CA 0.485 58.599 58.000 0.192 0.000 1.255 251 F CB -1.108 38.054 39.000 0.270 0.000 0.997 251 F HN 0.186 nan 8.300 nan 0.000 0.479 252 G N -0.314 108.753 108.800 0.445 0.000 2.433 252 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 252 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 252 G C 1.762 176.925 174.900 0.439 0.000 1.186 252 G CA 0.904 46.295 45.100 0.486 0.000 0.779 252 G HN 0.254 nan 8.290 nan 0.000 0.543 253 M N 0.186 119.945 119.600 0.265 0.000 2.159 253 M HA 0.001 4.481 4.480 -0.000 0.000 0.263 253 M C 2.462 178.775 176.300 0.021 0.000 1.063 253 M CA 0.956 56.312 55.300 0.094 0.000 1.110 253 M CB -0.336 32.229 32.600 -0.059 0.000 1.374 253 M HN 0.113 nan 8.290 nan 0.000 0.411 254 I N -0.252 120.212 120.570 -0.176 0.000 2.286 254 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 254 I C 2.431 178.376 176.117 -0.287 0.000 1.115 254 I CA 1.374 62.396 61.300 -0.463 0.000 1.392 254 I CB -1.264 36.066 38.000 -1.116 0.000 1.065 254 I HN 0.239 nan 8.210 nan 0.000 0.418 255 S N -0.537 115.207 115.700 0.073 0.000 2.368 255 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 255 S C 1.910 176.662 174.600 0.254 0.000 1.030 255 S CA 0.968 59.364 58.200 0.326 0.000 0.999 255 S CB -0.358 63.159 63.200 0.528 0.000 0.844 255 S HN 0.497 nan 8.310 nan 0.000 0.459 256 H N 0.251 119.423 119.070 0.170 0.000 2.357 256 H HA 0.045 4.601 4.556 -0.000 0.000 0.301 256 H C 2.129 177.450 175.328 -0.013 0.000 1.082 256 H CA 1.354 57.500 56.048 0.163 0.000 1.342 256 H CB -0.126 29.813 29.762 0.294 0.000 1.389 256 H HN 0.344 nan 8.280 nan 0.000 0.511 257 I N 0.134 120.699 120.570 -0.008 0.000 2.202 257 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 257 I C 2.549 178.677 176.117 0.019 0.000 1.091 257 I CA 0.679 61.891 61.300 -0.147 0.000 1.368 257 I CB -0.166 37.709 38.000 -0.209 0.000 1.058 257 I HN 0.004 nan 8.210 nan 0.000 0.410 258 V N 0.545 120.441 119.914 -0.031 0.000 2.343 258 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 258 V C 2.502 178.627 176.094 0.052 0.000 1.051 258 V CA 2.450 64.746 62.300 -0.006 0.000 1.036 258 V CB -0.779 31.009 31.823 -0.059 0.000 0.654 258 V HN 0.483 nan 8.190 nan 0.000 0.451 259 T N -1.260 113.339 114.554 0.075 0.000 2.701 259 T HA -0.222 4.128 4.350 -0.000 0.000 0.263 259 T C 1.725 176.438 174.700 0.022 0.000 1.040 259 T CA 2.022 64.163 62.100 0.070 0.000 1.147 259 T CB -0.373 68.544 68.868 0.082 0.000 0.865 259 T HN 0.547 nan 8.240 nan 0.000 0.426 260 Y N 0.817 121.017 120.300 -0.165 0.000 2.097 260 Y HA -0.229 4.321 4.550 -0.000 0.000 0.282 260 Y C 1.795 177.432 175.900 -0.439 0.000 1.152 260 Y CA 1.427 59.321 58.100 -0.345 0.000 1.136 260 Y CB -0.406 37.721 38.460 -0.555 0.000 0.975 260 Y HN 0.271 nan 8.280 nan 0.000 0.498 261 Y N -1.032 119.278 120.300 0.018 0.000 2.578 261 Y HA 0.001 4.551 4.550 -0.000 0.000 0.297 261 Y C 2.033 177.838 175.900 -0.158 0.000 1.176 261 Y CA 0.849 58.894 58.100 -0.092 0.000 1.315 261 Y CB -0.110 38.284 38.460 -0.111 0.000 1.031 261 Y HN 0.029 nan 8.280 nan 0.000 0.524 262 S N -1.180 114.493 115.700 -0.046 0.000 2.540 262 S HA 0.243 4.713 4.470 -0.000 0.000 0.218 262 S C 1.641 176.184 174.600 -0.095 0.000 0.977 262 S CA 0.460 58.620 58.200 -0.066 0.000 0.918 262 S CB 0.215 63.398 63.200 -0.028 0.000 0.806 262 S HN 0.609 nan 8.310 nan 0.000 0.496 263 G N 2.472 111.176 108.800 -0.161 0.000 2.176 263 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.252 263 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.252 263 G C -0.109 174.713 174.900 -0.130 0.000 1.024 263 G CA 0.068 45.053 45.100 -0.192 0.000 0.755 263 G HN 0.312 nan 8.290 nan 0.000 0.507 264 K N -0.454 119.893 120.400 -0.088 0.000 2.090 264 K HA 0.461 4.781 4.320 -0.000 0.000 0.249 264 K C 1.287 177.869 176.600 -0.030 0.000 0.995 264 K CA -0.624 55.643 56.287 -0.033 0.000 0.914 264 K CB 1.148 33.662 32.500 0.022 0.000 1.057 264 K HN 0.177 nan 8.250 nan 0.000 0.462 265 K N 0.719 121.115 120.400 -0.006 0.000 2.137 265 K HA -0.059 4.261 4.320 -0.000 0.000 0.202 265 K C 0.343 176.960 176.600 0.027 0.000 1.052 265 K CA 1.022 57.311 56.287 0.004 0.000 0.961 265 K CB 0.397 32.899 32.500 0.003 0.000 0.741 265 K HN 0.672 nan 8.250 nan 0.000 0.452 266 E N 0.648 120.873 120.200 0.042 0.000 2.413 266 E HA 0.328 4.678 4.350 -0.000 0.000 0.277 266 E C -2.932 173.736 176.600 0.113 0.000 0.958 266 E CA -2.361 54.080 56.400 0.067 0.000 0.779 266 E CB 1.859 31.584 29.700 0.042 0.000 1.278 266 E HN -0.232 nan 8.360 nan 0.000 0.456 267 P HA 0.052 nan 4.420 nan 0.000 0.272 267 P C -0.675 176.763 177.300 0.231 0.000 1.223 267 P CA -0.353 62.881 63.100 0.222 0.000 0.784 267 P CB 0.465 32.317 31.700 0.253 0.000 0.923 268 F N 1.507 121.536 119.950 0.131 0.000 2.529 268 F HA 0.354 4.881 4.527 -0.000 0.000 0.365 268 F C 1.402 177.257 175.800 0.091 0.000 1.102 268 F CA 1.258 59.321 58.000 0.105 0.000 1.271 268 F CB -0.134 38.927 39.000 0.102 0.000 1.120 268 F HN 0.699 nan 8.300 nan 0.000 0.579 269 G N 5.784 114.180 108.800 -0.674 0.000 2.366 269 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.299 269 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.299 269 G C 0.529 175.400 174.900 -0.048 0.000 1.020 269 G CA 0.692 45.576 45.100 -0.361 0.000 1.026 269 G HN 1.076 nan 8.290 nan 0.000 0.512 270 Y N 0.060 120.301 120.300 -0.098 0.000 2.096 270 Y HA -0.319 4.231 4.550 -0.000 0.000 0.278 270 Y C 2.631 178.510 175.900 -0.034 0.000 1.192 270 Y CA 2.799 60.889 58.100 -0.018 0.000 1.143 270 Y CB -0.070 38.400 38.460 0.017 0.000 0.963 270 Y HN 0.410 nan 8.280 nan 0.000 0.505 271 M N -0.400 119.231 119.600 0.052 0.000 2.319 271 M HA -0.045 4.435 4.480 -0.000 0.000 0.265 271 M C 2.391 178.637 176.300 -0.090 0.000 1.068 271 M CA 1.273 56.530 55.300 -0.071 0.000 1.118 271 M CB -1.741 30.850 32.600 -0.014 0.000 1.395 271 M HN 0.491 nan 8.290 nan 0.000 0.435 272 G N -0.001 108.762 108.800 -0.061 0.000 2.408 272 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 272 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 272 G C 1.543 176.488 174.900 0.075 0.000 1.150 272 G CA 0.374 45.484 45.100 0.017 0.000 0.776 272 G HN 0.267 nan 8.290 nan 0.000 0.542 273 M N 0.441 119.999 119.600 -0.070 0.000 2.200 273 M HA 0.035 4.515 4.480 -0.000 0.000 0.265 273 M C 2.710 178.880 176.300 -0.216 0.000 1.066 273 M CA 0.704 55.921 55.300 -0.138 0.000 1.127 273 M CB -0.935 31.575 32.600 -0.150 0.000 1.379 273 M HN 0.104 nan 8.290 nan 0.000 0.420 274 V N -0.900 118.784 119.914 -0.384 0.000 2.307 274 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 274 V C 2.097 178.001 176.094 -0.316 0.000 1.045 274 V CA 1.791 63.730 62.300 -0.602 0.000 1.024 274 V CB -0.773 30.489 31.823 -0.936 0.000 0.651 274 V HN 0.617 nan 8.190 nan 0.000 0.449 275 W N 1.209 122.321 121.300 -0.314 0.000 2.335 275 W HA -0.247 4.413 4.660 -0.000 0.000 0.311 275 W C 2.453 178.895 176.519 -0.128 0.000 1.213 275 W CA 2.394 59.626 57.345 -0.189 0.000 1.274 275 W CB -0.497 28.875 29.460 -0.146 0.000 1.148 275 W HN 0.189 nan 8.180 nan 0.000 0.498 276 A N 0.445 123.210 122.820 -0.092 0.000 1.908 276 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 276 A C 2.035 179.445 177.584 -0.289 0.000 1.181 276 A CA 2.389 54.233 52.037 -0.322 0.000 0.627 276 A CB -0.958 17.988 19.000 -0.091 0.000 0.818 276 A HN 0.456 nan 8.150 nan 0.000 0.445 277 M N -1.144 118.356 119.600 -0.167 0.000 2.229 277 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 277 M C 2.317 178.570 176.300 -0.077 0.000 1.063 277 M CA 1.381 56.653 55.300 -0.047 0.000 1.114 277 M CB -0.427 32.187 32.600 0.023 0.000 1.387 277 M HN 0.419 nan 8.290 nan 0.000 0.420 278 M N -0.914 118.585 119.600 -0.168 0.000 2.175 278 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 278 M C 2.259 178.484 176.300 -0.126 0.000 1.063 278 M CA 1.291 56.525 55.300 -0.110 0.000 1.119 278 M CB -0.613 31.909 32.600 -0.131 0.000 1.377 278 M HN 0.189 nan 8.290 nan 0.000 0.415 279 S N 1.171 116.665 115.700 -0.344 0.000 2.356 279 S HA -0.067 4.403 4.470 -0.000 0.000 0.223 279 S C 1.868 176.376 174.600 -0.154 0.000 1.032 279 S CA 1.154 59.155 58.200 -0.332 0.000 1.005 279 S CB -0.336 62.385 63.200 -0.798 0.000 0.867 279 S HN 0.360 nan 8.310 nan 0.000 0.449 280 I N 1.337 121.803 120.570 -0.174 0.000 2.226 280 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 280 I C 2.639 178.658 176.117 -0.163 0.000 1.100 280 I CA 1.152 62.361 61.300 -0.150 0.000 1.374 280 I CB -0.828 37.173 38.000 0.002 0.000 1.057 280 I HN 0.371 nan 8.210 nan 0.000 0.413 281 G N 0.741 109.528 108.800 -0.021 0.000 2.433 281 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.216 281 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.216 281 G C 1.570 176.575 174.900 0.175 0.000 1.186 281 G CA 0.672 45.821 45.100 0.082 0.000 0.779 281 G HN 0.335 nan 8.290 nan 0.000 0.543 282 F N 1.380 121.350 119.950 0.033 0.000 2.075 282 F HA 0.026 4.553 4.527 -0.000 0.000 0.297 282 F C 2.466 178.320 175.800 0.090 0.000 1.113 282 F CA 1.279 59.320 58.000 0.069 0.000 1.218 282 F CB -0.478 38.518 39.000 -0.007 0.000 0.984 282 F HN 0.037 nan 8.300 nan 0.000 0.472 283 L N 0.120 121.185 121.223 -0.265 0.000 2.127 283 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 283 L C 2.546 179.240 176.870 -0.293 0.000 1.089 283 L CA 1.199 55.837 54.840 -0.337 0.000 0.757 283 L CB -1.472 40.484 42.059 -0.171 0.000 0.899 283 L HN 0.394 nan 8.230 nan 0.000 0.434 284 G N -1.511 107.114 108.800 -0.291 0.000 2.776 284 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.209 284 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.209 284 G C 1.094 175.905 174.900 -0.149 0.000 1.145 284 G CA 0.014 44.966 45.100 -0.247 0.000 0.791 284 G HN 0.263 nan 8.290 nan 0.000 0.530 285 F N 0.014 119.862 119.950 -0.169 0.000 2.721 285 F HA 0.315 4.842 4.527 -0.000 0.000 0.301 285 F C 1.770 177.571 175.800 0.001 0.000 1.096 285 F CA -0.243 57.649 58.000 -0.181 0.000 1.308 285 F CB 0.556 39.434 39.000 -0.204 0.000 1.086 285 F HN 0.206 nan 8.300 nan 0.000 0.587 286 I N -1.734 118.932 120.570 0.161 0.000 3.762 286 I HA 0.272 4.442 4.170 -0.000 0.000 0.333 286 I C 0.233 176.508 176.117 0.264 0.000 1.566 286 I CA -0.010 61.490 61.300 0.333 0.000 1.129 286 I CB 0.252 38.322 38.000 0.117 0.000 1.218 286 I HN -0.109 nan 8.210 nan 0.000 0.456 287 V N -3.266 116.784 119.914 0.227 0.000 3.276 287 V HA 0.228 4.348 4.120 -0.000 0.000 0.319 287 V C 1.560 177.531 176.094 -0.206 0.000 1.476 287 V CA -0.305 62.036 62.300 0.069 0.000 1.097 287 V CB -0.998 30.738 31.823 -0.146 0.000 0.988 287 V HN 0.700 nan 8.190 nan 0.000 0.473 288 W N 2.163 123.430 121.300 -0.056 0.000 2.305 288 W HA -0.098 4.562 4.660 -0.000 0.000 0.308 288 W C 1.853 178.152 176.519 -0.366 0.000 1.226 288 W CA 2.102 59.357 57.345 -0.150 0.000 1.253 288 W CB -1.021 28.518 29.460 0.132 0.000 1.146 288 W HN 0.258 nan 8.180 nan 0.000 0.507 289 A N 1.830 123.849 122.820 -1.335 0.000 2.248 289 A HA -0.177 4.143 4.320 -0.000 0.000 0.210 289 A C 1.733 178.610 177.584 -1.179 0.000 1.174 289 A CA 1.199 52.434 52.037 -1.336 0.000 0.750 289 A CB -1.938 15.799 19.000 -2.105 0.000 0.780 289 A HN 0.814 nan 8.150 nan 0.000 0.478 290 H N -3.079 115.403 119.070 -0.980 0.000 2.563 290 H HA 0.037 4.593 4.556 -0.000 0.000 0.272 290 H C 0.561 175.009 175.328 -1.467 0.000 1.005 290 H CA 0.791 55.964 56.048 -1.459 0.000 1.171 290 H CB -0.283 29.038 29.762 -0.736 0.000 1.351 290 H HN 0.693 nan 8.280 nan 0.000 0.602 291 H N 0.492 119.099 119.070 -0.773 0.000 2.520 291 H HA 0.257 4.813 4.556 -0.000 0.000 0.284 291 H C 0.299 175.272 175.328 -0.591 0.000 1.037 291 H CA 0.085 55.659 56.048 -0.790 0.000 1.168 291 H CB 0.546 29.302 29.762 -1.677 0.000 1.497 291 H HN 0.457 nan 8.280 nan 0.000 0.547 292 M N -0.184 119.069 119.600 -0.578 0.000 3.470 292 M HA 0.115 4.595 4.480 -0.000 0.000 0.454 292 M C -0.092 176.045 176.300 -0.271 0.000 1.631 292 M CA -0.157 54.932 55.300 -0.351 0.000 0.732 292 M CB 0.527 32.956 32.600 -0.285 0.000 1.454 292 M HN -0.073 nan 8.290 nan 0.000 0.521 293 F N 0.715 120.481 119.950 -0.305 0.000 2.604 293 F HA 0.008 4.535 4.527 -0.000 0.000 0.298 293 F C 2.315 178.003 175.800 -0.186 0.000 1.131 293 F CA 1.099 58.965 58.000 -0.224 0.000 1.457 293 F CB -0.411 38.470 39.000 -0.198 0.000 1.095 293 F HN 0.254 nan 8.300 nan 0.000 0.574 294 T N -4.689 109.820 114.554 -0.075 0.000 3.215 294 T HA 0.243 4.593 4.350 -0.000 0.000 0.271 294 T C 1.239 175.932 174.700 -0.011 0.000 1.012 294 T CA 0.215 62.294 62.100 -0.034 0.000 0.899 294 T CB -0.286 68.563 68.868 -0.032 0.000 1.089 294 T HN -0.037 nan 8.240 nan 0.000 0.552 295 V N 0.912 120.813 119.914 -0.022 0.000 3.506 295 V HA 0.447 4.567 4.120 -0.000 0.000 0.263 295 V C 1.781 177.885 176.094 0.017 0.000 1.203 295 V CA 0.984 63.278 62.300 -0.009 0.000 1.133 295 V CB -0.135 31.656 31.823 -0.054 0.000 0.802 295 V HN 0.889 nan 8.190 nan 0.000 0.459 296 G N 0.509 109.327 108.800 0.029 0.000 2.167 296 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.194 296 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.194 296 G C -0.098 174.836 174.900 0.055 0.000 1.027 296 G CA -0.026 45.099 45.100 0.041 0.000 0.717 296 G HN 0.351 nan 8.290 nan 0.000 0.501 297 M N 0.645 120.285 119.600 0.065 0.000 2.291 297 M HA 0.320 4.800 4.480 -0.000 0.000 0.324 297 M C 0.264 176.616 176.300 0.087 0.000 1.148 297 M CA -0.752 54.603 55.300 0.091 0.000 1.104 297 M CB 0.380 33.046 32.600 0.111 0.000 1.483 297 M HN 0.075 nan 8.290 nan 0.000 0.467 298 D N 1.056 121.512 120.400 0.093 0.000 2.443 298 D HA -0.066 4.574 4.640 -0.000 0.000 0.234 298 D C 0.892 177.238 176.300 0.077 0.000 1.172 298 D CA 0.065 54.111 54.000 0.077 0.000 0.878 298 D CB 0.907 41.753 40.800 0.077 0.000 1.204 298 D HN 0.375 nan 8.370 nan 0.000 0.453 299 V N 1.802 121.747 119.914 0.050 0.000 2.427 299 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 299 V C 1.355 177.478 176.094 0.049 0.000 1.051 299 V CA 1.798 64.118 62.300 0.034 0.000 1.048 299 V CB -0.094 31.736 31.823 0.011 0.000 0.666 299 V HN 0.404 nan 8.190 nan 0.000 0.456 300 D N -0.166 120.269 120.400 0.058 0.000 2.117 300 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 300 D C 2.257 178.628 176.300 0.119 0.000 0.987 300 D CA 2.041 56.081 54.000 0.067 0.000 0.829 300 D CB -0.446 40.384 40.800 0.051 0.000 0.961 300 D HN 0.631 nan 8.370 nan 0.000 0.460 301 T N -0.789 113.858 114.554 0.154 0.000 2.995 301 T HA -0.071 4.279 4.350 -0.000 0.000 0.269 301 T C 1.942 176.886 174.700 0.407 0.000 1.091 301 T CA 0.727 62.989 62.100 0.271 0.000 1.128 301 T CB 0.133 69.172 68.868 0.284 0.000 0.891 301 T HN -0.031 nan 8.240 nan 0.000 0.492 302 R N 0.225 120.880 120.500 0.258 0.000 2.119 302 R HA 0.334 4.674 4.340 -0.000 0.000 0.222 302 R C 2.872 179.239 176.300 0.110 0.000 1.088 302 R CA 1.066 57.304 56.100 0.230 0.000 0.984 302 R CB -0.429 29.898 30.300 0.046 0.000 0.884 302 R HN 0.511 nan 8.270 nan 0.000 0.447 303 A N 0.052 122.915 122.820 0.071 0.000 1.930 303 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 303 A C 1.908 179.511 177.584 0.031 0.000 1.175 303 A CA 1.092 53.138 52.037 0.015 0.000 0.627 303 A CB -0.632 18.378 19.000 0.017 0.000 0.815 303 A HN 0.477 nan 8.150 nan 0.000 0.443 304 Y N -0.407 119.887 120.300 -0.010 0.000 2.114 304 Y HA -0.209 4.341 4.550 -0.000 0.000 0.284 304 Y C 1.850 177.677 175.900 -0.121 0.000 1.143 304 Y CA 1.923 59.954 58.100 -0.114 0.000 1.135 304 Y CB -0.680 37.638 38.460 -0.237 0.000 0.980 304 Y HN 0.231 nan 8.280 nan 0.000 0.499 305 F N 0.365 120.171 119.950 -0.241 0.000 2.307 305 F HA -0.177 4.350 4.527 -0.000 0.000 0.301 305 F C 2.789 178.545 175.800 -0.073 0.000 1.076 305 F CA 1.851 59.697 58.000 -0.257 0.000 1.383 305 F CB -0.882 38.113 39.000 -0.009 0.000 1.055 305 F HN 0.297 nan 8.300 nan 0.000 0.526 306 T N -3.091 111.540 114.554 0.128 0.000 2.937 306 T HA -0.078 4.272 4.350 -0.000 0.000 0.260 306 T C 2.279 176.944 174.700 -0.058 0.000 1.051 306 T CA 1.422 63.563 62.100 0.069 0.000 1.141 306 T CB -0.470 68.342 68.868 -0.094 0.000 0.879 306 T HN 0.107 nan 8.240 nan 0.000 0.459 307 S N 1.507 117.127 115.700 -0.135 0.000 2.348 307 S HA 0.073 4.543 4.470 -0.000 0.000 0.221 307 S C 2.576 177.064 174.600 -0.186 0.000 1.033 307 S CA 1.271 59.386 58.200 -0.141 0.000 1.010 307 S CB -0.939 62.181 63.200 -0.133 0.000 0.891 307 S HN 0.774 nan 8.310 nan 0.000 0.442 308 A N 0.982 123.576 122.820 -0.376 0.000 1.902 308 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 308 A C 2.304 179.777 177.584 -0.186 0.000 1.181 308 A CA 2.091 53.909 52.037 -0.365 0.000 0.623 308 A CB -1.316 17.234 19.000 -0.750 0.000 0.818 308 A HN 0.481 nan 8.150 nan 0.000 0.443 309 T N 0.019 114.505 114.554 -0.112 0.000 2.833 309 T HA -0.095 4.255 4.350 -0.000 0.000 0.269 309 T C 1.844 176.530 174.700 -0.024 0.000 1.054 309 T CA 1.612 63.708 62.100 -0.007 0.000 1.135 309 T CB -0.288 68.650 68.868 0.116 0.000 0.869 309 T HN 0.453 nan 8.240 nan 0.000 0.466 310 M N 0.856 120.434 119.600 -0.036 0.000 2.254 310 M HA 0.108 4.588 4.480 -0.000 0.000 0.265 310 M C 2.208 178.506 176.300 -0.003 0.000 1.066 310 M CA 1.095 56.384 55.300 -0.019 0.000 1.123 310 M CB -0.513 32.073 32.600 -0.023 0.000 1.388 310 M HN 0.337 nan 8.290 nan 0.000 0.425 311 I N -1.647 118.915 120.570 -0.014 0.000 2.916 311 I HA -0.166 4.004 4.170 -0.000 0.000 0.267 311 I C 1.768 177.896 176.117 0.018 0.000 1.263 311 I CA 1.037 62.344 61.300 0.012 0.000 1.471 311 I CB -0.782 37.230 38.000 0.019 0.000 1.089 311 I HN 0.217 nan 8.210 nan 0.000 0.468 312 I N 2.028 122.599 120.570 0.001 0.000 2.850 312 I HA -0.165 4.005 4.170 -0.000 0.000 0.266 312 I C 2.758 178.913 176.117 0.063 0.000 1.257 312 I CA 0.946 62.249 61.300 0.004 0.000 1.465 312 I CB -0.366 37.628 38.000 -0.009 0.000 1.091 312 I HN 0.333 nan 8.210 nan 0.000 0.467 313 A N 1.006 123.867 122.820 0.069 0.000 2.016 313 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 313 A C 2.221 179.865 177.584 0.099 0.000 1.162 313 A CA 0.696 52.787 52.037 0.090 0.000 0.662 313 A CB -0.310 18.733 19.000 0.072 0.000 0.812 313 A HN 0.316 nan 8.150 nan 0.000 0.450 314 I N 0.677 121.308 120.570 0.100 0.000 2.090 314 I HA -0.149 4.021 4.170 -0.000 0.000 0.236 314 I C -0.332 175.883 176.117 0.163 0.000 1.064 314 I CA 1.510 62.897 61.300 0.144 0.000 1.324 314 I CB -1.199 36.896 38.000 0.159 0.000 1.044 314 I HN 0.218 nan 8.210 nan 0.000 0.399 315 P HA -0.126 nan 4.420 nan 0.000 0.218 315 P C 1.490 178.790 177.300 -0.001 0.000 1.149 315 P CA 1.630 64.732 63.100 0.004 0.000 0.817 315 P CB -0.267 31.249 31.700 -0.306 0.000 0.785 316 T N -0.615 113.958 114.554 0.032 0.000 2.904 316 T HA -0.017 4.333 4.350 -0.000 0.000 0.267 316 T C 2.131 176.804 174.700 -0.044 0.000 1.059 316 T CA 1.561 63.678 62.100 0.029 0.000 1.137 316 T CB -0.941 68.060 68.868 0.221 0.000 0.879 316 T HN 0.192 nan 8.240 nan 0.000 0.467 317 G N 1.682 110.495 108.800 0.022 0.000 2.408 317 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.217 317 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.217 317 G C 1.841 176.743 174.900 0.004 0.000 1.150 317 G CA 1.014 46.105 45.100 -0.014 0.000 0.776 317 G HN 0.527 nan 8.290 nan 0.000 0.542 318 V N -0.467 119.510 119.914 0.106 0.000 2.490 318 V HA -0.061 4.059 4.120 -0.000 0.000 0.250 318 V C 2.371 178.407 176.094 -0.096 0.000 1.061 318 V CA 2.437 64.812 62.300 0.125 0.000 1.064 318 V CB -0.470 31.476 31.823 0.205 0.000 0.670 318 V HN 0.333 nan 8.190 nan 0.000 0.461 319 K N 0.195 120.404 120.400 -0.319 0.000 2.025 319 K HA -0.014 4.306 4.320 -0.000 0.000 0.207 319 K C 2.238 178.220 176.600 -1.032 0.000 1.049 319 K CA 1.565 57.383 56.287 -0.781 0.000 0.933 319 K CB -0.442 31.429 32.500 -1.048 0.000 0.714 319 K HN 0.473 nan 8.250 nan 0.000 0.438 320 V N 1.046 120.547 119.914 -0.690 0.000 2.343 320 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 320 V C 1.998 177.898 176.094 -0.324 0.000 1.051 320 V CA 1.748 63.798 62.300 -0.417 0.000 1.036 320 V CB -0.520 31.084 31.823 -0.365 0.000 0.654 320 V HN 0.155 nan 8.190 nan 0.000 0.451 321 F N 0.334 120.251 119.950 -0.056 0.000 2.325 321 F HA -0.053 4.474 4.527 -0.000 0.000 0.299 321 F C 2.575 178.317 175.800 -0.096 0.000 1.090 321 F CA 1.152 59.126 58.000 -0.044 0.000 1.392 321 F CB -0.930 38.043 39.000 -0.045 0.000 1.053 321 F HN 0.048 nan 8.300 nan 0.000 0.521 322 S N -1.271 114.432 115.700 0.005 0.000 2.406 322 S HA -0.138 4.332 4.470 -0.000 0.000 0.228 322 S C 1.803 176.470 174.600 0.112 0.000 1.020 322 S CA 0.602 58.837 58.200 0.059 0.000 0.965 322 S CB -0.314 62.933 63.200 0.078 0.000 0.798 322 S HN 0.384 nan 8.310 nan 0.000 0.488 323 W N 1.231 122.581 121.300 0.083 0.000 2.388 323 W HA 0.093 4.753 4.660 -0.000 0.000 0.294 323 W C 1.704 178.261 176.519 0.063 0.000 1.212 323 W CA 0.115 57.504 57.345 0.072 0.000 1.271 323 W CB -1.072 28.422 29.460 0.057 0.000 1.126 323 W HN 0.287 nan 8.180 nan 0.000 0.535 324 L N 0.382 121.777 121.223 0.286 0.000 2.093 324 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 324 L C 2.581 179.500 176.870 0.081 0.000 1.085 324 L CA 2.016 56.969 54.840 0.188 0.000 0.755 324 L CB -1.758 40.427 42.059 0.210 0.000 0.904 324 L HN -0.090 nan 8.230 nan 0.000 0.435 325 A N -1.763 121.030 122.820 -0.045 0.000 2.015 325 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 325 A C 2.310 179.895 177.584 0.002 0.000 1.163 325 A CA 1.911 53.791 52.037 -0.262 0.000 0.646 325 A CB -0.735 17.640 19.000 -1.041 0.000 0.806 325 A HN 0.417 nan 8.150 nan 0.000 0.448 326 T N 0.307 114.949 114.554 0.147 0.000 2.857 326 T HA -0.005 4.345 4.350 -0.000 0.000 0.266 326 T C 1.722 176.511 174.700 0.148 0.000 1.048 326 T CA 1.219 63.448 62.100 0.216 0.000 1.139 326 T CB -0.290 68.735 68.868 0.262 0.000 0.874 326 T HN 0.384 nan 8.240 nan 0.000 0.455 327 L N 0.208 121.508 121.223 0.129 0.000 2.201 327 L HA 0.014 4.354 4.340 -0.000 0.000 0.212 327 L C 1.238 178.162 176.870 0.091 0.000 1.105 327 L CA 0.365 55.249 54.840 0.074 0.000 0.775 327 L CB -0.656 41.437 42.059 0.056 0.000 0.913 327 L HN 0.306 nan 8.230 nan 0.000 0.440 328 H N 0.873 119.949 119.070 0.010 0.000 3.187 328 H HA 0.155 4.711 4.556 -0.000 0.000 0.286 328 H C 1.168 176.502 175.328 0.010 0.000 0.944 328 H CA 0.303 56.351 56.048 0.001 0.000 1.429 328 H CB 0.126 29.873 29.762 -0.025 0.000 1.483 328 H HN 0.296 nan 8.280 nan 0.000 0.555 329 G N 3.012 111.614 108.800 -0.329 0.000 2.162 329 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.260 329 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.260 329 G C 0.743 175.565 174.900 -0.131 0.000 0.976 329 G CA 0.411 45.329 45.100 -0.304 0.000 0.655 329 G HN 1.030 nan 8.290 nan 0.000 0.533 330 G N -0.457 108.297 108.800 -0.076 0.000 2.599 330 G HA2 0.425 4.385 3.960 -0.000 0.000 0.264 330 G HA3 0.425 4.385 3.960 -0.000 0.000 0.264 330 G C 0.069 174.932 174.900 -0.063 0.000 1.200 330 G CA 0.205 45.269 45.100 -0.060 0.000 0.896 330 G HN 0.634 nan 8.290 nan 0.000 0.536 331 N N 0.657 119.317 118.700 -0.066 0.000 2.767 331 N HA 0.091 4.831 4.740 -0.000 0.000 0.238 331 N C 0.145 175.613 175.510 -0.069 0.000 1.083 331 N CA -0.658 52.359 53.050 -0.056 0.000 0.964 331 N CB 0.010 38.462 38.487 -0.059 0.000 1.252 331 N HN 0.148 nan 8.380 nan 0.000 0.512 332 I N 1.691 122.211 120.570 -0.083 0.000 2.598 332 I HA 0.044 4.214 4.170 -0.000 0.000 0.284 332 I C 0.813 176.852 176.117 -0.130 0.000 1.140 332 I CA 0.088 61.284 61.300 -0.173 0.000 1.420 332 I CB -0.113 37.678 38.000 -0.348 0.000 1.387 332 I HN 0.450 nan 8.210 nan 0.000 0.553 333 K N 6.716 127.059 120.400 -0.094 0.000 2.316 333 K HA 0.223 4.543 4.320 -0.000 0.000 0.267 333 K C -0.903 175.661 176.600 -0.060 0.000 1.025 333 K CA -0.505 55.797 56.287 0.024 0.000 0.896 333 K CB 0.535 33.120 32.500 0.141 0.000 1.124 333 K HN 0.427 nan 8.250 nan 0.000 0.451 334 W N 4.711 125.975 121.300 -0.059 0.000 1.371 334 W HA 0.048 4.708 4.660 -0.000 0.000 0.482 334 W C 0.454 176.865 176.519 -0.179 0.000 0.640 334 W CA -0.426 56.840 57.345 -0.131 0.000 2.164 334 W CB -0.172 29.220 29.460 -0.115 0.000 1.613 334 W HN 0.459 nan 8.180 nan 0.000 0.212 335 S N 0.711 116.333 115.700 -0.131 0.000 2.669 335 S HA 0.375 4.845 4.470 -0.000 0.000 0.270 335 S C -1.191 173.259 174.600 -0.250 0.000 1.225 335 S CA -1.311 56.765 58.200 -0.207 0.000 0.991 335 S CB 1.642 64.573 63.200 -0.448 0.000 0.987 335 S HN 0.051 nan 8.310 nan 0.000 0.552 336 P HA -0.123 nan 4.420 nan 0.000 0.215 336 P C 1.573 178.817 177.300 -0.094 0.000 1.157 336 P CA 1.984 65.016 63.100 -0.113 0.000 0.868 336 P CB -0.467 31.288 31.700 0.093 0.000 0.788 337 A N -0.361 122.391 122.820 -0.113 0.000 1.940 337 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 337 A C 2.314 179.738 177.584 -0.267 0.000 1.176 337 A CA 2.485 54.455 52.037 -0.112 0.000 0.631 337 A CB -1.416 17.437 19.000 -0.245 0.000 0.814 337 A HN 0.140 nan 8.150 nan 0.000 0.446 338 M N -0.778 118.501 119.600 -0.536 0.000 2.229 338 M HA 0.015 4.495 4.480 -0.000 0.000 0.264 338 M C 2.010 178.110 176.300 -0.334 0.000 1.063 338 M CA 1.621 56.659 55.300 -0.436 0.000 1.114 338 M CB -0.578 31.709 32.600 -0.521 0.000 1.387 338 M HN 0.423 nan 8.290 nan 0.000 0.420 339 M N -1.952 117.384 119.600 -0.439 0.000 2.117 339 M HA -0.209 4.271 4.480 -0.000 0.000 0.262 339 M C 1.877 177.747 176.300 -0.716 0.000 1.065 339 M CA 1.860 56.716 55.300 -0.740 0.000 1.114 339 M CB -0.578 31.239 32.600 -1.305 0.000 1.361 339 M HN 0.377 nan 8.290 nan 0.000 0.408 340 W N 0.028 121.059 121.300 -0.449 0.000 2.363 340 W HA -0.126 4.534 4.660 -0.000 0.000 0.296 340 W C 2.654 179.227 176.519 0.091 0.000 1.212 340 W CA 1.035 58.308 57.345 -0.121 0.000 1.260 340 W CB -0.335 29.075 29.460 -0.083 0.000 1.131 340 W HN 0.217 nan 8.180 nan 0.000 0.530 341 A N -0.112 122.809 122.820 0.168 0.000 1.929 341 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 341 A C 1.896 179.563 177.584 0.139 0.000 1.176 341 A CA 1.158 53.233 52.037 0.065 0.000 0.628 341 A CB -0.869 18.059 19.000 -0.120 0.000 0.816 341 A HN 0.284 nan 8.150 nan 0.000 0.444 342 L N -0.775 120.510 121.223 0.103 0.000 2.109 342 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 342 L C 2.811 179.911 176.870 0.383 0.000 1.086 342 L CA 0.936 55.877 54.840 0.169 0.000 0.760 342 L CB -0.733 41.362 42.059 0.060 0.000 0.910 342 L HN 0.471 nan 8.230 nan 0.000 0.437 343 G N -0.076 109.036 108.800 0.520 0.000 2.418 343 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.217 343 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.217 343 G C 1.479 176.833 174.900 0.756 0.000 1.158 343 G CA 0.659 46.255 45.100 0.826 0.000 0.771 343 G HN 0.294 nan 8.290 nan 0.000 0.545 344 F N 1.692 121.998 119.950 0.594 0.000 2.069 344 F HA -0.079 4.448 4.527 -0.000 0.000 0.298 344 F C 2.510 178.500 175.800 0.316 0.000 1.113 344 F CA 1.402 59.631 58.000 0.382 0.000 1.214 344 F CB -0.400 38.763 39.000 0.272 0.000 0.978 344 F HN 0.118 nan 8.300 nan 0.000 0.474 345 I N -0.684 120.293 120.570 0.679 0.000 2.145 345 I HA -0.345 3.825 4.170 -0.000 0.000 0.244 345 I C 2.378 178.774 176.117 0.464 0.000 1.075 345 I CA 1.882 63.524 61.300 0.569 0.000 1.332 345 I CB -0.702 37.559 38.000 0.434 0.000 1.033 345 I HN 0.261 nan 8.210 nan 0.000 0.410 346 F N 1.023 121.148 119.950 0.293 0.000 2.118 346 F HA -0.113 4.414 4.527 -0.000 0.000 0.293 346 F C 2.117 178.025 175.800 0.180 0.000 1.102 346 F CA 1.342 59.481 58.000 0.231 0.000 1.247 346 F CB -0.268 38.877 39.000 0.242 0.000 1.017 346 F HN -0.165 nan 8.300 nan 0.000 0.475 347 L N -0.264 120.967 121.223 0.013 0.000 2.083 347 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 347 L C 2.328 179.098 176.870 -0.167 0.000 1.083 347 L CA 1.602 56.356 54.840 -0.143 0.000 0.752 347 L CB -1.919 40.040 42.059 -0.167 0.000 0.899 347 L HN 0.291 nan 8.230 nan 0.000 0.433 348 F N 0.294 120.051 119.950 -0.322 0.000 2.171 348 F HA -0.211 4.316 4.527 -0.000 0.000 0.300 348 F C 2.345 178.043 175.800 -0.169 0.000 1.090 348 F CA 1.713 59.493 58.000 -0.365 0.000 1.293 348 F CB -0.383 38.194 39.000 -0.704 0.000 1.013 348 F HN 0.029 nan 8.300 nan 0.000 0.486 349 T N -0.007 114.466 114.554 -0.135 0.000 2.746 349 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 349 T C 2.190 176.711 174.700 -0.297 0.000 1.039 349 T CA 1.517 63.516 62.100 -0.168 0.000 1.142 349 T CB -0.562 68.302 68.868 -0.007 0.000 0.866 349 T HN 0.129 nan 8.240 nan 0.000 0.444 350 V N 1.351 121.042 119.914 -0.372 0.000 2.295 350 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 350 V C 2.867 178.755 176.094 -0.344 0.000 1.049 350 V CA 2.084 64.158 62.300 -0.376 0.000 1.024 350 V CB -1.270 30.288 31.823 -0.442 0.000 0.648 350 V HN 0.590 nan 8.190 nan 0.000 0.447 351 G N -0.392 108.220 108.800 -0.314 0.000 2.432 351 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.219 351 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.219 351 G C 1.555 176.297 174.900 -0.263 0.000 1.135 351 G CA 0.945 45.874 45.100 -0.285 0.000 0.767 351 G HN 0.602 nan 8.290 nan 0.000 0.550 352 G N 0.409 108.933 108.800 -0.461 0.000 2.408 352 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.215 352 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.215 352 G C 1.612 176.434 174.900 -0.131 0.000 1.156 352 G CA 0.415 45.311 45.100 -0.339 0.000 0.793 352 G HN 0.280 nan 8.290 nan 0.000 0.535 353 L N 0.934 122.070 121.223 -0.145 0.000 2.056 353 L HA 0.032 4.372 4.340 -0.000 0.000 0.207 353 L C 2.948 179.783 176.870 -0.058 0.000 1.078 353 L CA 1.630 56.421 54.840 -0.081 0.000 0.749 353 L CB -1.237 40.769 42.059 -0.089 0.000 0.901 353 L HN 0.144 nan 8.230 nan 0.000 0.433 354 T N -1.013 113.496 114.554 -0.074 0.000 2.929 354 T HA -0.102 4.248 4.350 -0.000 0.000 0.271 354 T C 1.620 176.282 174.700 -0.064 0.000 1.085 354 T CA 1.164 63.238 62.100 -0.043 0.000 1.125 354 T CB -0.225 68.560 68.868 -0.138 0.000 0.874 354 T HN 0.539 nan 8.240 nan 0.000 0.494 355 G N 0.479 109.228 108.800 -0.085 0.000 2.551 355 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.216 355 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.216 355 G C 1.396 176.182 174.900 -0.191 0.000 1.137 355 G CA 0.001 44.903 45.100 -0.330 0.000 0.798 355 G HN 0.418 nan 8.290 nan 0.000 0.536 356 I N 1.016 121.533 120.570 -0.088 0.000 2.439 356 I HA -0.043 4.127 4.170 -0.000 0.000 0.251 356 I C 2.792 178.873 176.117 -0.059 0.000 1.139 356 I CA 0.569 61.833 61.300 -0.061 0.000 1.438 356 I CB -0.590 37.394 38.000 -0.028 0.000 1.085 356 I HN 0.010 nan 8.210 nan 0.000 0.427 357 V N 1.149 121.039 119.914 -0.039 0.000 2.295 357 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 357 V C 2.495 178.550 176.094 -0.064 0.000 1.049 357 V CA 1.497 63.779 62.300 -0.030 0.000 1.024 357 V CB -0.491 31.358 31.823 0.044 0.000 0.648 357 V HN 0.319 nan 8.190 nan 0.000 0.447 358 L N 0.149 121.328 121.223 -0.072 0.000 2.362 358 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 358 L C 2.530 179.361 176.870 -0.066 0.000 1.134 358 L CA 1.011 55.796 54.840 -0.091 0.000 0.807 358 L CB -0.693 41.263 42.059 -0.173 0.000 0.927 358 L HN 0.348 nan 8.230 nan 0.000 0.447 359 A N -0.507 122.262 122.820 -0.086 0.000 2.121 359 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 359 A C 0.923 178.521 177.584 0.023 0.000 1.154 359 A CA 0.603 52.633 52.037 -0.012 0.000 0.679 359 A CB -0.473 18.494 19.000 -0.056 0.000 0.795 359 A HN 0.402 nan 8.150 nan 0.000 0.458 360 N N 1.266 119.921 118.700 -0.075 0.000 2.399 360 N HA 0.083 4.823 4.740 -0.000 0.000 0.259 360 N C 1.194 176.508 175.510 -0.326 0.000 1.160 360 N CA 0.675 53.620 53.050 -0.174 0.000 0.946 360 N CB 1.185 39.593 38.487 -0.133 0.000 1.156 360 N HN 0.509 nan 8.380 nan 0.000 0.489 361 S N 1.939 117.213 115.700 -0.711 0.000 2.365 361 S HA -0.258 4.212 4.470 -0.000 0.000 0.225 361 S C 2.169 176.489 174.600 -0.466 0.000 1.039 361 S CA 1.617 59.141 58.200 -1.126 0.000 1.033 361 S CB -0.478 61.845 63.200 -1.462 0.000 0.887 361 S HN 0.642 nan 8.310 nan 0.000 0.447 362 S N 2.633 118.142 115.700 -0.318 0.000 2.359 362 S HA -0.104 4.366 4.470 -0.000 0.000 0.223 362 S C 1.839 176.353 174.600 -0.143 0.000 1.039 362 S CA 1.376 59.464 58.200 -0.186 0.000 1.042 362 S CB -0.983 62.132 63.200 -0.142 0.000 0.915 362 S HN 0.374 nan 8.310 nan 0.000 0.439 363 L N 2.314 123.451 121.223 -0.144 0.000 2.291 363 L HA 0.156 4.496 4.340 -0.000 0.000 0.214 363 L C 1.870 178.677 176.870 -0.104 0.000 1.120 363 L CA 1.764 56.532 54.840 -0.120 0.000 0.799 363 L CB -0.993 40.991 42.059 -0.126 0.000 0.925 363 L HN 0.352 nan 8.230 nan 0.000 0.446 364 D N -1.225 119.121 120.400 -0.090 0.000 2.312 364 D HA -0.146 4.494 4.640 -0.000 0.000 0.211 364 D C 2.142 178.471 176.300 0.047 0.000 0.964 364 D CA 0.494 54.497 54.000 0.005 0.000 0.877 364 D CB 0.160 41.042 40.800 0.137 0.000 0.924 364 D HN 0.204 nan 8.370 nan 0.000 0.515 365 I N 0.469 121.036 120.570 -0.005 0.000 2.151 365 I HA -0.193 3.977 4.170 -0.000 0.000 0.243 365 I C 2.420 178.565 176.117 0.046 0.000 1.080 365 I CA 0.950 62.265 61.300 0.024 0.000 1.339 365 I CB -1.193 36.799 38.000 -0.012 0.000 1.039 365 I HN 0.097 nan 8.210 nan 0.000 0.409 366 V N 0.277 120.193 119.914 0.003 0.000 3.406 366 V HA 0.033 4.153 4.120 -0.000 0.000 0.263 366 V C 1.887 177.967 176.094 -0.023 0.000 1.172 366 V CA 0.728 63.026 62.300 -0.004 0.000 1.140 366 V CB 0.135 31.944 31.823 -0.022 0.000 0.784 366 V HN 0.289 nan 8.190 nan 0.000 0.467 367 L N -0.597 120.607 121.223 -0.033 0.000 2.470 367 L HA 0.272 4.612 4.340 -0.000 0.000 0.219 367 L C 1.152 178.036 176.870 0.023 0.000 1.071 367 L CA -0.051 54.751 54.840 -0.063 0.000 0.850 367 L CB -0.329 41.617 42.059 -0.190 0.000 1.040 367 L HN 0.403 nan 8.230 nan 0.000 0.475 368 H N 1.266 120.333 119.070 -0.006 0.000 3.001 368 H HA -0.108 4.448 4.556 -0.000 0.000 0.334 368 H C 0.484 175.827 175.328 0.026 0.000 1.034 368 H CA 0.714 56.773 56.048 0.020 0.000 1.420 368 H CB 0.179 29.964 29.762 0.038 0.000 1.405 368 H HN 0.126 nan 8.280 nan 0.000 0.593 369 D N 1.930 121.866 120.400 -0.774 0.000 3.059 369 D HA -0.214 4.426 4.640 -0.000 0.000 0.220 369 D C -0.188 175.973 176.300 -0.232 0.000 1.169 369 D CA 1.472 55.157 54.000 -0.524 0.000 0.902 369 D CB -0.908 39.573 40.800 -0.533 0.000 1.116 369 D HN 0.764 nan 8.370 nan 0.000 0.417 370 T N -3.850 110.620 114.554 -0.141 0.000 2.938 370 T HA 0.411 4.761 4.350 -0.000 0.000 0.285 370 T C 1.026 175.700 174.700 -0.042 0.000 1.028 370 T CA -0.677 61.384 62.100 -0.066 0.000 1.005 370 T CB 0.848 69.707 68.868 -0.014 0.000 1.157 370 T HN -0.062 nan 8.240 nan 0.000 0.550 371 Y N -0.537 119.693 120.300 -0.118 0.000 2.632 371 Y HA 0.094 4.644 4.550 -0.000 0.000 0.301 371 Y C 1.816 177.638 175.900 -0.130 0.000 1.172 371 Y CA 0.312 58.335 58.100 -0.128 0.000 1.328 371 Y CB -0.561 37.796 38.460 -0.173 0.000 1.016 371 Y HN 0.821 nan 8.280 nan 0.000 0.529 372 Y N -0.916 119.325 120.300 -0.098 0.000 2.314 372 Y HA -0.159 4.391 4.550 -0.000 0.000 0.293 372 Y C 2.405 178.203 175.900 -0.170 0.000 1.129 372 Y CA 1.393 59.398 58.100 -0.158 0.000 1.201 372 Y CB -0.101 38.300 38.460 -0.099 0.000 0.999 372 Y HN 0.037 nan 8.280 nan 0.000 0.541 373 V N -1.594 118.345 119.914 0.042 0.000 2.591 373 V HA -0.107 4.013 4.120 -0.000 0.000 0.249 373 V C 1.807 177.830 176.094 -0.119 0.000 1.053 373 V CA 1.720 64.055 62.300 0.058 0.000 1.068 373 V CB -0.694 31.222 31.823 0.155 0.000 0.689 373 V HN 0.190 nan 8.190 nan 0.000 0.462 374 V N 1.242 120.935 119.914 -0.367 0.000 2.490 374 V HA -0.133 3.987 4.120 -0.000 0.000 0.250 374 V C 3.053 178.714 176.094 -0.721 0.000 1.061 374 V CA 2.046 63.830 62.300 -0.861 0.000 1.064 374 V CB -1.303 30.107 31.823 -0.688 0.000 0.670 374 V HN 0.690 nan 8.190 nan 0.000 0.461 375 A N -0.016 122.507 122.820 -0.496 0.000 1.855 375 A HA -0.260 4.060 4.320 -0.000 0.000 0.215 375 A C 2.105 179.434 177.584 -0.426 0.000 1.191 375 A CA 2.102 53.824 52.037 -0.525 0.000 0.613 375 A CB -0.863 17.508 19.000 -1.048 0.000 0.829 375 A HN 0.749 nan 8.150 nan 0.000 0.442 376 H N 0.271 119.024 119.070 -0.529 0.000 2.252 376 H HA -0.255 4.301 4.556 -0.000 0.000 0.292 376 H C 1.701 176.914 175.328 -0.190 0.000 1.082 376 H CA 2.759 58.611 56.048 -0.327 0.000 1.229 376 H CB -0.817 28.820 29.762 -0.209 0.000 1.353 376 H HN 0.589 nan 8.280 nan 0.000 0.488 377 F N -0.951 118.799 119.950 -0.333 0.000 2.408 377 F HA -0.002 4.525 4.527 -0.000 0.000 0.300 377 F C 1.781 177.226 175.800 -0.592 0.000 1.090 377 F CA 1.321 58.990 58.000 -0.552 0.000 1.427 377 F CB -0.957 37.824 39.000 -0.365 0.000 1.070 377 F HN 0.243 nan 8.300 nan 0.000 0.549 378 H N -2.164 116.538 119.070 -0.614 0.000 2.512 378 H HA 0.044 4.600 4.556 -0.000 0.000 0.279 378 H C 1.417 176.311 175.328 -0.723 0.000 0.999 378 H CA 1.304 56.845 56.048 -0.846 0.000 1.283 378 H CB -0.194 28.538 29.762 -1.715 0.000 1.421 378 H HN 0.236 nan 8.280 nan 0.000 0.554 379 Y N 0.132 120.129 120.300 -0.506 0.000 2.200 379 Y HA -0.198 4.352 4.550 -0.000 0.000 0.290 379 Y C 2.502 178.159 175.900 -0.404 0.000 1.137 379 Y CA 1.410 59.265 58.100 -0.408 0.000 1.163 379 Y CB -0.223 38.038 38.460 -0.332 0.000 0.988 379 Y HN 0.142 nan 8.280 nan 0.000 0.518 380 V N -2.675 117.063 119.914 -0.293 0.000 2.719 380 V HA -0.128 3.992 4.120 -0.000 0.000 0.252 380 V C 1.781 177.755 176.094 -0.198 0.000 1.065 380 V CA 1.334 63.481 62.300 -0.255 0.000 1.086 380 V CB -0.733 30.892 31.823 -0.330 0.000 0.700 380 V HN 0.329 nan 8.190 nan 0.000 0.467 381 L N -0.151 120.915 121.223 -0.261 0.000 2.189 381 L HA 0.099 4.439 4.340 -0.000 0.000 0.199 381 L C 2.753 179.526 176.870 -0.162 0.000 1.074 381 L CA 1.349 56.056 54.840 -0.222 0.000 0.783 381 L CB -0.468 41.417 42.059 -0.291 0.000 0.955 381 L HN 0.227 nan 8.230 nan 0.000 0.460 382 S N -0.682 114.892 115.700 -0.210 0.000 2.436 382 S HA 0.045 4.515 4.470 -0.000 0.000 0.228 382 S C 1.548 176.058 174.600 -0.149 0.000 1.014 382 S CA 1.073 59.212 58.200 -0.102 0.000 0.950 382 S CB 0.073 63.210 63.200 -0.105 0.000 0.784 382 S HN 0.256 nan 8.310 nan 0.000 0.504 383 M N -0.335 119.014 119.600 -0.419 0.000 2.412 383 M HA 0.314 4.794 4.480 -0.000 0.000 0.315 383 M C 1.109 177.053 176.300 -0.593 0.000 1.092 383 M CA -0.187 54.565 55.300 -0.913 0.000 0.974 383 M CB 1.347 33.371 32.600 -0.961 0.000 1.437 383 M HN 0.266 nan 8.290 nan 0.000 0.524 384 G N -0.347 108.317 108.800 -0.228 0.000 2.474 384 G HA2 0.408 4.368 3.960 -0.000 0.000 0.205 384 G HA3 0.408 4.368 3.960 -0.000 0.000 0.205 384 G C 1.251 176.291 174.900 0.233 0.000 1.934 384 G CA 0.453 45.499 45.100 -0.089 0.000 0.713 384 G HN 0.233 nan 8.290 nan 0.000 0.773 385 A N 0.044 122.937 122.820 0.122 0.000 1.896 385 A HA -0.080 4.239 4.320 -0.000 0.000 0.220 385 A C 2.540 180.220 177.584 0.159 0.000 1.206 385 A CA 2.659 54.765 52.037 0.116 0.000 0.647 385 A CB -1.055 17.935 19.000 -0.016 0.000 0.828 385 A HN 0.521 nan 8.150 nan 0.000 0.455 386 V N -1.459 118.547 119.914 0.153 0.000 2.407 386 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 386 V C 2.303 178.581 176.094 0.307 0.000 1.055 386 V CA 1.921 64.338 62.300 0.196 0.000 1.049 386 V CB -0.897 31.043 31.823 0.195 0.000 0.662 386 V HN 0.537 nan 8.190 nan 0.000 0.455 387 F N 0.682 120.737 119.950 0.176 0.000 2.234 387 F HA -0.010 4.517 4.527 -0.000 0.000 0.299 387 F C 2.350 178.246 175.800 0.159 0.000 1.087 387 F CA 0.753 58.922 58.000 0.281 0.000 1.340 387 F CB -1.118 38.224 39.000 0.571 0.000 1.031 387 F HN 0.114 nan 8.300 nan 0.000 0.500 388 A N 0.170 123.197 122.820 0.346 0.000 1.898 388 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 388 A C 2.329 179.894 177.584 -0.032 0.000 1.181 388 A CA 1.339 53.413 52.037 0.063 0.000 0.620 388 A CB -0.990 18.001 19.000 -0.015 0.000 0.819 388 A HN 0.325 nan 8.150 nan 0.000 0.442 389 I N -0.533 120.044 120.570 0.013 0.000 2.163 389 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 389 I C 2.662 178.798 176.117 0.032 0.000 1.085 389 I CA 1.335 62.656 61.300 0.034 0.000 1.347 389 I CB -0.315 37.750 38.000 0.108 0.000 1.044 389 I HN 0.298 nan 8.210 nan 0.000 0.408 390 M N 0.174 119.649 119.600 -0.208 0.000 2.132 390 M HA -0.097 4.383 4.480 -0.000 0.000 0.263 390 M C 2.459 178.505 176.300 -0.422 0.000 1.065 390 M CA 1.884 56.876 55.300 -0.513 0.000 1.122 390 M CB -1.774 29.915 32.600 -1.518 0.000 1.365 390 M HN 0.326 nan 8.290 nan 0.000 0.411 391 G N 0.017 108.608 108.800 -0.349 0.000 2.421 391 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.216 391 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.216 391 G C 1.575 176.483 174.900 0.014 0.000 1.171 391 G CA 1.091 46.151 45.100 -0.066 0.000 0.775 391 G HN 0.547 nan 8.290 nan 0.000 0.543 392 G N 0.146 108.958 108.800 0.020 0.000 2.422 392 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 392 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 392 G C 1.618 176.846 174.900 0.545 0.000 1.146 392 G CA 0.891 46.089 45.100 0.164 0.000 0.769 392 G HN 0.352 nan 8.290 nan 0.000 0.547 393 F N 1.757 121.950 119.950 0.406 0.000 2.113 393 F HA -0.102 4.425 4.527 -0.000 0.000 0.297 393 F C 2.740 178.708 175.800 0.279 0.000 1.103 393 F CA 1.799 60.086 58.000 0.478 0.000 1.248 393 F CB -0.283 38.906 39.000 0.315 0.000 0.999 393 F HN 0.067 nan 8.300 nan 0.000 0.475 394 V N -1.726 118.291 119.914 0.173 0.000 2.667 394 V HA -0.173 3.947 4.120 -0.000 0.000 0.252 394 V C 2.332 178.455 176.094 0.048 0.000 1.065 394 V CA 2.192 64.524 62.300 0.053 0.000 1.083 394 V CB -1.270 30.652 31.823 0.165 0.000 0.692 394 V HN 0.491 nan 8.190 nan 0.000 0.468 395 H N -0.664 118.359 119.070 -0.078 0.000 2.307 395 H HA -0.039 4.517 4.556 -0.000 0.000 0.303 395 H C 1.796 176.978 175.328 -0.244 0.000 1.073 395 H CA 2.230 58.151 56.048 -0.211 0.000 1.338 395 H CB -0.203 29.249 29.762 -0.518 0.000 1.389 395 H HN 0.529 nan 8.280 nan 0.000 0.503 396 W N -0.270 120.816 121.300 -0.356 0.000 3.197 396 W HA 0.031 4.691 4.660 -0.000 0.000 0.274 396 W C 1.504 177.346 176.519 -1.128 0.000 1.297 396 W CA -0.230 56.570 57.345 -0.909 0.000 1.662 396 W CB -0.778 28.027 29.460 -1.092 0.000 1.106 396 W HN 0.208 nan 8.180 nan 0.000 0.663 397 F N 2.780 122.341 119.950 -0.649 0.000 2.120 397 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 397 F C -0.837 174.684 175.800 -0.465 0.000 1.095 397 F CA 1.681 59.282 58.000 -0.664 0.000 1.249 397 F CB -1.488 37.086 39.000 -0.712 0.000 0.995 397 F HN -0.238 nan 8.300 nan 0.000 0.480 398 P HA -0.151 nan 4.420 nan 0.000 0.218 398 P C 1.835 178.956 177.300 -0.298 0.000 1.149 398 P CA 1.205 64.166 63.100 -0.232 0.000 0.817 398 P CB -0.088 31.650 31.700 0.063 0.000 0.785 399 L N -1.892 119.043 121.223 -0.480 0.000 2.109 399 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 399 L C 1.866 178.400 176.870 -0.560 0.000 1.086 399 L CA 1.890 56.379 54.840 -0.585 0.000 0.760 399 L CB -1.098 40.279 42.059 -1.137 0.000 0.910 399 L HN -0.172 nan 8.230 nan 0.000 0.437 400 F N -0.453 118.997 119.950 -0.832 0.000 2.206 400 F HA -0.044 4.483 4.527 -0.000 0.000 0.298 400 F C 2.771 178.248 175.800 -0.538 0.000 1.090 400 F CA 0.995 58.368 58.000 -1.045 0.000 1.323 400 F CB -1.466 36.869 39.000 -1.107 0.000 1.028 400 F HN 0.381 nan 8.300 nan 0.000 0.492 401 S N -1.697 113.702 115.700 -0.502 0.000 2.514 401 S HA 0.429 4.899 4.470 -0.000 0.000 0.223 401 S C 1.837 176.116 174.600 -0.535 0.000 1.046 401 S CA 0.528 58.447 58.200 -0.469 0.000 0.914 401 S CB 0.403 63.114 63.200 -0.815 0.000 0.807 401 S HN 0.513 nan 8.310 nan 0.000 0.497 402 G N 0.061 108.577 108.800 -0.473 0.000 2.175 402 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.244 402 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.244 402 G C -0.248 174.414 174.900 -0.397 0.000 0.982 402 G CA 0.396 45.253 45.100 -0.404 0.000 0.641 402 G HN 0.531 nan 8.290 nan 0.000 0.527 403 Y N 0.927 121.126 120.300 -0.169 0.000 2.549 403 Y HA 0.706 5.256 4.550 -0.000 0.000 0.339 403 Y C 0.880 176.774 175.900 -0.011 0.000 1.053 403 Y CA -0.781 57.266 58.100 -0.089 0.000 1.105 403 Y CB 1.609 40.001 38.460 -0.112 0.000 1.258 403 Y HN 0.313 nan 8.280 nan 0.000 0.478 404 T N -0.277 114.412 114.554 0.225 0.000 2.943 404 T HA 0.769 5.119 4.350 -0.000 0.000 0.284 404 T C -0.372 174.405 174.700 0.129 0.000 1.015 404 T CA -0.874 61.331 62.100 0.176 0.000 1.042 404 T CB 0.904 69.833 68.868 0.101 0.000 1.055 404 T HN 0.473 nan 8.240 nan 0.000 0.500 405 L N 1.818 123.083 121.223 0.071 0.000 2.439 405 L HA 0.422 4.762 4.340 -0.000 0.000 0.259 405 L C 0.957 177.841 176.870 0.023 0.000 1.129 405 L CA -1.134 53.677 54.840 -0.049 0.000 0.803 405 L CB 0.589 42.583 42.059 -0.108 0.000 1.161 405 L HN 0.715 nan 8.230 nan 0.000 0.462 406 N N 0.917 119.648 118.700 0.051 0.000 2.415 406 N HA -0.018 4.722 4.740 -0.000 0.000 0.246 406 N C 0.164 175.769 175.510 0.159 0.000 1.078 406 N CA -0.073 53.058 53.050 0.134 0.000 0.942 406 N CB 1.011 39.663 38.487 0.276 0.000 1.140 406 N HN 0.512 nan 8.380 nan 0.000 0.501 407 D N 2.235 122.699 120.400 0.106 0.000 2.190 407 D HA -0.129 4.511 4.640 -0.000 0.000 0.200 407 D C 1.153 177.517 176.300 0.107 0.000 0.992 407 D CA 1.510 55.569 54.000 0.098 0.000 0.854 407 D CB 0.197 41.034 40.800 0.062 0.000 0.936 407 D HN 0.561 nan 8.370 nan 0.000 0.462 408 T N -0.919 113.680 114.554 0.076 0.000 2.777 408 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 408 T C 1.748 176.509 174.700 0.101 0.000 1.040 408 T CA 0.871 62.980 62.100 0.014 0.000 1.141 408 T CB -0.463 68.337 68.868 -0.113 0.000 0.868 408 T HN 0.350 nan 8.240 nan 0.000 0.444 409 W N 1.331 122.694 121.300 0.106 0.000 2.358 409 W HA -0.022 4.638 4.660 0.000 0.000 0.303 409 W C 2.864 179.495 176.519 0.188 0.000 1.208 409 W CA 0.482 57.921 57.345 0.158 0.000 1.274 409 W CB -0.303 29.258 29.460 0.168 0.000 1.138 409 W HN 0.200 nan 8.180 nan 0.000 0.515 410 A N 0.406 123.470 122.820 0.406 0.000 1.978 410 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 410 A C 1.811 179.618 177.584 0.373 0.000 1.170 410 A CA 1.921 54.178 52.037 0.367 0.000 0.636 410 A CB -0.570 18.588 19.000 0.263 0.000 0.810 410 A HN 0.327 nan 8.150 nan 0.000 0.448 411 K N -0.742 119.805 120.400 0.244 0.000 2.116 411 K HA 0.123 4.443 4.320 -0.000 0.000 0.203 411 K C 1.725 178.449 176.600 0.206 0.000 1.052 411 K CA 1.030 57.414 56.287 0.160 0.000 0.952 411 K CB -0.227 32.309 32.500 0.060 0.000 0.729 411 K HN 0.501 nan 8.250 nan 0.000 0.446 412 I N 0.560 121.274 120.570 0.241 0.000 2.226 412 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 412 I C 2.532 178.816 176.117 0.278 0.000 1.100 412 I CA 1.380 62.823 61.300 0.237 0.000 1.374 412 I CB -0.288 37.898 38.000 0.309 0.000 1.057 412 I HN 0.240 nan 8.210 nan 0.000 0.413 413 H N 0.842 120.087 119.070 0.293 0.000 2.319 413 H HA -0.293 4.263 4.556 -0.000 0.000 0.299 413 H C 2.028 177.500 175.328 0.240 0.000 1.092 413 H CA 2.145 58.371 56.048 0.296 0.000 1.302 413 H CB -0.434 29.547 29.762 0.365 0.000 1.373 413 H HN 0.320 nan 8.280 nan 0.000 0.497 414 F N 1.014 120.896 119.950 -0.113 0.000 2.095 414 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 414 F C 2.527 178.101 175.800 -0.377 0.000 1.104 414 F CA 1.892 59.522 58.000 -0.617 0.000 1.232 414 F CB -1.074 37.380 39.000 -0.909 0.000 0.987 414 F HN 0.290 nan 8.300 nan 0.000 0.475 415 A N 1.095 123.748 122.820 -0.277 0.000 1.892 415 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 415 A C 2.329 179.800 177.584 -0.189 0.000 1.188 415 A CA 2.292 54.163 52.037 -0.276 0.000 0.631 415 A CB -1.373 17.595 19.000 -0.053 0.000 0.822 415 A HN 0.549 nan 8.150 nan 0.000 0.447 416 I N -1.565 118.948 120.570 -0.095 0.000 2.142 416 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 416 I C 2.669 178.751 176.117 -0.059 0.000 1.078 416 I CA 2.078 63.360 61.300 -0.031 0.000 1.343 416 I CB -0.298 37.726 38.000 0.040 0.000 1.046 416 I HN 0.432 nan 8.210 nan 0.000 0.405 417 M N 0.382 119.904 119.600 -0.131 0.000 2.213 417 M HA -0.230 4.250 4.480 -0.000 0.000 0.263 417 M C 2.004 178.289 176.300 -0.024 0.000 1.062 417 M CA 1.785 57.054 55.300 -0.052 0.000 1.105 417 M CB -0.552 32.039 32.600 -0.016 0.000 1.385 417 M HN 0.197 nan 8.290 nan 0.000 0.417 418 F N -0.675 119.053 119.950 -0.369 0.000 2.186 418 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 418 F C 1.751 177.481 175.800 -0.117 0.000 1.090 418 F CA 1.499 59.325 58.000 -0.290 0.000 1.307 418 F CB -0.284 38.280 39.000 -0.727 0.000 1.019 418 F HN -0.037 nan 8.300 nan 0.000 0.489 419 V N 0.073 119.984 119.914 -0.004 0.000 2.323 419 V HA -0.159 3.961 4.120 -0.000 0.000 0.244 419 V C 2.744 178.801 176.094 -0.061 0.000 1.041 419 V CA 1.827 64.117 62.300 -0.017 0.000 1.025 419 V CB -1.530 30.313 31.823 0.034 0.000 0.656 419 V HN 0.498 nan 8.190 nan 0.000 0.451 420 G N 0.850 109.630 108.800 -0.034 0.000 2.514 420 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 420 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 420 G C 1.774 176.630 174.900 -0.074 0.000 1.198 420 G CA 1.827 46.909 45.100 -0.030 0.000 0.780 420 G HN 0.587 nan 8.290 nan 0.000 0.565 421 V N -0.867 119.022 119.914 -0.042 0.000 2.490 421 V HA -0.137 3.983 4.120 -0.000 0.000 0.250 421 V C 2.184 178.230 176.094 -0.081 0.000 1.061 421 V CA 2.196 64.494 62.300 -0.004 0.000 1.064 421 V CB -0.574 31.320 31.823 0.119 0.000 0.670 421 V HN 0.286 nan 8.190 nan 0.000 0.461 422 N N -0.011 118.578 118.700 -0.185 0.000 2.171 422 N HA -0.041 4.699 4.740 -0.000 0.000 0.184 422 N C 1.842 177.339 175.510 -0.021 0.000 1.021 422 N CA 1.937 54.897 53.050 -0.151 0.000 0.854 422 N CB -0.148 38.173 38.487 -0.277 0.000 0.994 422 N HN 0.562 nan 8.380 nan 0.000 0.426 423 M N 0.827 120.392 119.600 -0.059 0.000 2.159 423 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 423 M C 1.684 177.932 176.300 -0.087 0.000 1.063 423 M CA 1.279 56.571 55.300 -0.014 0.000 1.110 423 M CB -0.103 32.491 32.600 -0.010 0.000 1.374 423 M HN 0.009 nan 8.290 nan 0.000 0.411 424 T N 0.273 114.672 114.554 -0.259 0.000 2.708 424 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 424 T C 1.104 175.397 174.700 -0.680 0.000 1.037 424 T CA 1.588 63.347 62.100 -0.568 0.000 1.146 424 T CB -0.285 67.984 68.868 -0.998 0.000 0.865 424 T HN 0.373 nan 8.240 nan 0.000 0.435 425 F N -0.665 119.238 119.950 -0.079 0.000 2.717 425 F HA 0.379 4.906 4.527 -0.000 0.000 0.295 425 F C 1.647 177.471 175.800 0.040 0.000 1.117 425 F CA -1.155 56.803 58.000 -0.071 0.000 1.361 425 F CB -0.555 38.388 39.000 -0.096 0.000 1.112 425 F HN 0.031 nan 8.300 nan 0.000 0.594 426 F N 3.746 123.775 119.950 0.131 0.000 2.075 426 F HA -0.063 4.464 4.527 -0.000 0.000 0.297 426 F C -0.438 175.203 175.800 -0.265 0.000 1.113 426 F CA 1.012 59.059 58.000 0.079 0.000 1.218 426 F CB -1.695 37.315 39.000 0.017 0.000 0.984 426 F HN -0.186 nan 8.300 nan 0.000 0.472 427 P HA -0.223 nan 4.420 nan 0.000 0.219 427 P C 0.865 177.762 177.300 -0.672 0.000 1.146 427 P CA 1.625 64.291 63.100 -0.722 0.000 0.808 427 P CB -0.380 31.236 31.700 -0.140 0.000 0.779 428 Q N -1.081 118.472 119.800 -0.411 0.000 2.439 428 Q HA -0.172 4.168 4.340 -0.000 0.000 0.211 428 Q C 1.784 177.543 176.000 -0.403 0.000 0.978 428 Q CA 0.963 56.588 55.803 -0.297 0.000 0.897 428 Q CB -0.779 27.901 28.738 -0.096 0.000 0.956 428 Q HN 0.556 nan 8.270 nan 0.000 0.483 429 H N -0.725 117.930 119.070 -0.692 0.000 2.395 429 H HA -0.089 4.467 4.556 -0.000 0.000 0.299 429 H C 1.320 176.488 175.328 -0.267 0.000 1.070 429 H CA 1.346 57.047 56.048 -0.577 0.000 1.356 429 H CB 0.078 29.307 29.762 -0.889 0.000 1.401 429 H HN 0.195 nan 8.280 nan 0.000 0.524 430 F N 0.369 120.153 119.950 -0.277 0.000 2.084 430 F HA -0.123 4.404 4.527 -0.000 0.000 0.296 430 F C 2.232 177.980 175.800 -0.088 0.000 1.111 430 F CA 0.809 58.642 58.000 -0.278 0.000 1.224 430 F CB -1.151 37.382 39.000 -0.778 0.000 0.991 430 F HN 0.075 nan 8.300 nan 0.000 0.471 431 L N -0.208 121.057 121.223 0.070 0.000 2.081 431 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 431 L C 2.667 179.518 176.870 -0.030 0.000 1.080 431 L CA 1.532 56.374 54.840 0.003 0.000 0.754 431 L CB -1.408 40.528 42.059 -0.205 0.000 0.893 431 L HN 0.314 nan 8.230 nan 0.000 0.433 432 G N -0.229 108.601 108.800 0.049 0.000 2.395 432 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.214 432 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.214 432 G C 1.610 176.558 174.900 0.080 0.000 1.177 432 G CA 0.222 45.380 45.100 0.096 0.000 0.794 432 G HN 0.208 nan 8.290 nan 0.000 0.532 433 L N 1.706 123.001 121.223 0.119 0.000 2.083 433 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 433 L C 3.064 179.983 176.870 0.082 0.000 1.083 433 L CA 1.494 56.365 54.840 0.052 0.000 0.752 433 L CB -0.340 41.771 42.059 0.086 0.000 0.899 433 L HN 0.403 nan 8.230 nan 0.000 0.433 434 S N -0.717 115.073 115.700 0.150 0.000 2.607 434 S HA 0.122 4.592 4.470 -0.000 0.000 0.224 434 S C 1.491 176.246 174.600 0.259 0.000 0.969 434 S CA 0.421 58.758 58.200 0.228 0.000 0.927 434 S CB 0.204 63.619 63.200 0.358 0.000 0.772 434 S HN 0.578 nan 8.310 nan 0.000 0.533 435 G N 0.937 109.803 108.800 0.111 0.000 2.159 435 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.227 435 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.227 435 G C -0.079 174.748 174.900 -0.122 0.000 0.986 435 G CA 0.043 45.177 45.100 0.057 0.000 0.651 435 G HN 0.617 nan 8.290 nan 0.000 0.523 436 M N 1.828 121.153 119.600 -0.457 0.000 2.227 436 M HA 0.397 4.877 4.480 -0.000 0.000 0.349 436 M C -2.080 174.051 176.300 -0.282 0.000 1.443 436 M CA -1.277 53.623 55.300 -0.666 0.000 1.110 436 M CB 0.664 32.664 32.600 -0.999 0.000 1.773 436 M HN -0.008 nan 8.290 nan 0.000 0.463 437 P HA 0.200 nan 4.420 nan 0.000 0.274 437 P C -1.171 175.977 177.300 -0.254 0.000 1.246 437 P CA -0.161 62.675 63.100 -0.439 0.000 0.795 437 P CB 0.577 31.724 31.700 -0.920 0.000 1.006 438 R N 0.986 121.371 120.500 -0.192 0.000 2.500 438 R HA 0.423 4.763 4.340 -0.000 0.000 0.275 438 R C 0.385 176.734 176.300 0.082 0.000 1.051 438 R CA -0.503 55.536 56.100 -0.103 0.000 1.088 438 R CB 0.325 30.536 30.300 -0.149 0.000 1.063 438 R HN 0.404 nan 8.270 nan 0.000 0.511 439 R N -0.363 120.290 120.500 0.255 0.000 3.774 439 R HA -0.189 4.151 4.340 -0.000 0.000 0.320 439 R C -1.119 175.552 176.300 0.618 0.000 1.175 439 R CA 0.673 57.030 56.100 0.429 0.000 0.849 439 R CB -1.673 28.789 30.300 0.270 0.000 1.365 439 R HN 0.409 nan 8.270 nan 0.000 0.502 440 Y N 0.165 120.625 120.300 0.267 0.000 2.330 440 Y HA 0.217 4.767 4.550 -0.000 0.000 0.336 440 Y C 1.583 177.347 175.900 -0.228 0.000 1.036 440 Y CA -1.207 56.942 58.100 0.082 0.000 1.125 440 Y CB 1.740 40.272 38.460 0.119 0.000 1.194 440 Y HN 0.115 nan 8.280 nan 0.000 0.469 441 S N -0.075 115.397 115.700 -0.379 0.000 2.558 441 S HA 0.104 4.574 4.470 -0.000 0.000 0.217 441 S C 0.036 174.438 174.600 -0.331 0.000 0.975 441 S CA 0.297 58.004 58.200 -0.821 0.000 0.912 441 S CB 0.166 62.977 63.200 -0.647 0.000 0.776 441 S HN 0.656 nan 8.310 nan 0.000 0.526 442 D N -0.505 119.810 120.400 -0.142 0.000 2.622 442 D HA 0.512 5.152 4.640 -0.000 0.000 0.255 442 D C -1.663 174.657 176.300 0.033 0.000 1.246 442 D CA -0.720 53.170 54.000 -0.182 0.000 0.795 442 D CB 1.646 42.300 40.800 -0.243 0.000 1.369 442 D HN 0.238 nan 8.370 nan 0.000 0.425 443 Y N -2.097 118.259 120.300 0.093 0.000 2.597 443 Y HA 0.718 5.268 4.550 -0.000 0.000 0.340 443 Y C -2.738 173.277 175.900 0.192 0.000 1.097 443 Y CA -2.340 55.891 58.100 0.218 0.000 1.037 443 Y CB -0.076 38.533 38.460 0.248 0.000 1.305 443 Y HN 0.054 nan 8.280 nan 0.000 0.463 444 P HA 0.038 nan 4.420 nan 0.000 0.266 444 P C 0.128 177.529 177.300 0.168 0.000 1.193 444 P CA 0.370 63.585 63.100 0.192 0.000 0.770 444 P CB 0.823 32.605 31.700 0.136 0.000 0.836 445 D N 1.985 122.407 120.400 0.036 0.000 2.172 445 D HA -0.217 4.423 4.640 -0.000 0.000 0.196 445 D C 1.854 178.145 176.300 -0.015 0.000 0.999 445 D CA 1.992 56.006 54.000 0.023 0.000 0.856 445 D CB -0.614 40.169 40.800 -0.029 0.000 0.934 445 D HN 0.402 nan 8.370 nan 0.000 0.453 446 A N -0.043 122.675 122.820 -0.170 0.000 2.024 446 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 446 A C 1.264 178.702 177.584 -0.244 0.000 1.164 446 A CA 0.993 52.866 52.037 -0.272 0.000 0.643 446 A CB -0.821 17.933 19.000 -0.409 0.000 0.806 446 A HN 0.285 nan 8.150 nan 0.000 0.451 447 Y N 0.257 120.577 120.300 0.035 0.000 2.462 447 Y HA 0.097 4.647 4.550 -0.000 0.000 0.293 447 Y C 2.230 178.009 175.900 -0.202 0.000 1.195 447 Y CA 0.397 58.448 58.100 -0.083 0.000 1.276 447 Y CB -1.096 37.270 38.460 -0.157 0.000 1.082 447 Y HN 0.212 nan 8.280 nan 0.000 0.514 448 T N -0.222 114.374 114.554 0.070 0.000 2.777 448 T HA -0.228 4.122 4.350 -0.000 0.000 0.266 448 T C 2.096 176.758 174.700 -0.064 0.000 1.040 448 T CA 1.415 63.578 62.100 0.106 0.000 1.141 448 T CB -0.159 68.795 68.868 0.142 0.000 0.868 448 T HN 0.439 nan 8.240 nan 0.000 0.444 449 M N -0.211 119.251 119.600 -0.229 0.000 2.065 449 M HA -0.129 4.351 4.480 -0.000 0.000 0.259 449 M C 1.945 178.140 176.300 -0.175 0.000 1.071 449 M CA 1.935 57.034 55.300 -0.336 0.000 1.109 449 M CB -0.291 31.896 32.600 -0.687 0.000 1.313 449 M HN 0.399 nan 8.290 nan 0.000 0.408 450 W N 0.481 121.778 121.300 -0.005 0.000 2.342 450 W HA -0.185 4.475 4.660 -0.000 0.000 0.297 450 W C 2.197 178.656 176.519 -0.102 0.000 1.213 450 W CA 0.360 57.700 57.345 -0.008 0.000 1.251 450 W CB -0.675 28.806 29.460 0.035 0.000 1.136 450 W HN 0.354 nan 8.180 nan 0.000 0.526 451 N N -0.276 118.430 118.700 0.010 0.000 2.331 451 N HA -0.095 4.645 4.740 -0.000 0.000 0.180 451 N C 1.460 176.962 175.510 -0.014 0.000 1.019 451 N CA 1.768 54.740 53.050 -0.130 0.000 0.881 451 N CB -0.310 37.928 38.487 -0.414 0.000 0.972 451 N HN 0.137 nan 8.380 nan 0.000 0.435 452 T N 1.633 116.201 114.554 0.023 0.000 2.812 452 T HA 0.075 4.425 4.350 -0.000 0.000 0.264 452 T C 2.142 176.869 174.700 0.045 0.000 1.042 452 T CA 0.418 62.540 62.100 0.037 0.000 1.140 452 T CB 0.028 68.907 68.868 0.018 0.000 0.870 452 T HN 0.145 nan 8.240 nan 0.000 0.445 453 I N 1.107 121.727 120.570 0.084 0.000 2.226 453 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 453 I C 2.819 178.975 176.117 0.066 0.000 1.100 453 I CA 0.998 62.366 61.300 0.113 0.000 1.374 453 I CB -0.400 37.747 38.000 0.246 0.000 1.057 453 I HN 0.244 nan 8.210 nan 0.000 0.413 454 S N 0.235 115.960 115.700 0.041 0.000 2.359 454 S HA -0.195 4.275 4.470 -0.000 0.000 0.224 454 S C 2.215 176.777 174.600 -0.063 0.000 1.035 454 S CA 2.126 60.289 58.200 -0.060 0.000 1.018 454 S CB -0.169 62.969 63.200 -0.103 0.000 0.876 454 S HN 0.407 nan 8.310 nan 0.000 0.448 455 S N 1.035 116.736 115.700 0.003 0.000 2.419 455 S HA -0.000 4.470 4.470 -0.000 0.000 0.233 455 S C 1.838 176.541 174.600 0.172 0.000 1.016 455 S CA 1.328 59.575 58.200 0.078 0.000 0.974 455 S CB -0.336 62.933 63.200 0.116 0.000 0.786 455 S HN 0.501 nan 8.310 nan 0.000 0.492 456 M N 0.896 120.552 119.600 0.093 0.000 2.132 456 M HA -0.033 4.447 4.480 -0.000 0.000 0.263 456 M C 2.526 178.893 176.300 0.112 0.000 1.065 456 M CA 1.437 56.789 55.300 0.087 0.000 1.122 456 M CB -0.817 31.796 32.600 0.021 0.000 1.365 456 M HN 0.457 nan 8.290 nan 0.000 0.411 457 G N -0.003 108.816 108.800 0.032 0.000 2.442 457 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 457 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 457 G C 1.598 176.482 174.900 -0.028 0.000 1.141 457 G CA 1.345 46.432 45.100 -0.021 0.000 0.763 457 G HN 0.568 nan 8.290 nan 0.000 0.554 458 S N -0.222 115.451 115.700 -0.045 0.000 2.447 458 S HA 0.022 4.492 4.470 -0.000 0.000 0.233 458 S C 2.036 176.605 174.600 -0.052 0.000 1.006 458 S CA 0.836 58.983 58.200 -0.088 0.000 0.957 458 S CB -0.450 62.671 63.200 -0.133 0.000 0.773 458 S HN 0.213 nan 8.310 nan 0.000 0.507 459 F N 1.594 121.521 119.950 -0.039 0.000 2.234 459 F HA 0.299 4.826 4.527 -0.000 0.000 0.296 459 F C 2.136 177.935 175.800 -0.002 0.000 1.089 459 F CA 0.520 58.512 58.000 -0.013 0.000 1.343 459 F CB -0.283 38.712 39.000 -0.009 0.000 1.040 459 F HN 0.175 nan 8.300 nan 0.000 0.498 460 I N -1.071 119.596 120.570 0.162 0.000 2.226 460 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 460 I C 2.358 178.515 176.117 0.068 0.000 1.100 460 I CA 1.291 62.650 61.300 0.098 0.000 1.374 460 I CB -0.675 37.363 38.000 0.063 0.000 1.057 460 I HN -0.007 nan 8.210 nan 0.000 0.413 461 S N 0.949 116.674 115.700 0.041 0.000 2.383 461 S HA -0.186 4.284 4.470 -0.000 0.000 0.229 461 S C 1.924 176.553 174.600 0.048 0.000 1.030 461 S CA 1.259 59.488 58.200 0.048 0.000 1.002 461 S CB -0.441 62.784 63.200 0.042 0.000 0.829 461 S HN 0.327 nan 8.310 nan 0.000 0.467 462 L N 1.968 123.192 121.223 0.001 0.000 2.012 462 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 462 L C 2.217 179.110 176.870 0.039 0.000 1.073 462 L CA 1.989 56.816 54.840 -0.023 0.000 0.748 462 L CB -1.455 40.527 42.059 -0.129 0.000 0.891 462 L HN 0.198 nan 8.230 nan 0.000 0.431 463 T N 0.062 114.657 114.554 0.069 0.000 2.684 463 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 463 T C 1.929 176.701 174.700 0.120 0.000 1.036 463 T CA 1.518 63.672 62.100 0.089 0.000 1.148 463 T CB -0.678 68.249 68.868 0.098 0.000 0.863 463 T HN 0.566 nan 8.240 nan 0.000 0.436 464 A N 1.149 124.049 122.820 0.133 0.000 1.940 464 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 464 A C 2.645 180.412 177.584 0.306 0.000 1.176 464 A CA 1.900 54.060 52.037 0.205 0.000 0.631 464 A CB -1.039 18.025 19.000 0.107 0.000 0.814 464 A HN 0.478 nan 8.150 nan 0.000 0.446 465 V N -1.455 118.580 119.914 0.201 0.000 2.719 465 V HA -0.156 3.964 4.120 -0.000 0.000 0.252 465 V C 2.118 178.277 176.094 0.109 0.000 1.065 465 V CA 2.150 64.554 62.300 0.174 0.000 1.086 465 V CB -0.548 31.339 31.823 0.107 0.000 0.700 465 V HN 0.541 nan 8.190 nan 0.000 0.467 466 M N -0.536 119.117 119.600 0.088 0.000 2.132 466 M HA -0.041 4.439 4.480 -0.000 0.000 0.263 466 M C 2.272 178.619 176.300 0.078 0.000 1.065 466 M CA 1.874 57.207 55.300 0.055 0.000 1.122 466 M CB -0.394 32.225 32.600 0.032 0.000 1.365 466 M HN 0.357 nan 8.290 nan 0.000 0.411 467 L N 0.305 121.598 121.223 0.117 0.000 2.046 467 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 467 L C 2.587 179.527 176.870 0.117 0.000 1.077 467 L CA 1.540 56.463 54.840 0.139 0.000 0.747 467 L CB -0.403 41.791 42.059 0.225 0.000 0.896 467 L HN 0.432 nan 8.230 nan 0.000 0.432 468 M N -0.914 118.719 119.600 0.055 0.000 2.149 468 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 468 M C 2.041 178.303 176.300 -0.064 0.000 1.064 468 M CA 1.656 56.859 55.300 -0.161 0.000 1.102 468 M CB -0.043 32.401 32.600 -0.261 0.000 1.369 468 M HN 0.098 nan 8.290 nan 0.000 0.408 469 V N 0.554 120.478 119.914 0.018 0.000 2.343 469 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 469 V C 2.151 178.311 176.094 0.109 0.000 1.051 469 V CA 2.034 64.368 62.300 0.057 0.000 1.036 469 V CB -1.078 30.781 31.823 0.059 0.000 0.654 469 V HN 0.592 nan 8.190 nan 0.000 0.451 470 F N 0.868 120.798 119.950 -0.034 0.000 2.102 470 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 470 F C 2.113 177.925 175.800 0.022 0.000 1.105 470 F CA 1.610 59.597 58.000 -0.021 0.000 1.239 470 F CB -0.404 38.492 39.000 -0.173 0.000 0.991 470 F HN 0.073 nan 8.300 nan 0.000 0.474 471 I N 0.374 120.724 120.570 -0.367 0.000 2.248 471 I HA -0.345 3.825 4.170 -0.000 0.000 0.248 471 I C 2.389 178.309 176.117 -0.328 0.000 1.107 471 I CA 1.661 62.690 61.300 -0.451 0.000 1.373 471 I CB -0.527 37.345 38.000 -0.214 0.000 1.055 471 I HN 0.208 nan 8.210 nan 0.000 0.418 472 I N -0.846 119.629 120.570 -0.157 0.000 2.353 472 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 472 I C 2.407 178.577 176.117 0.089 0.000 1.119 472 I CA 1.155 62.414 61.300 -0.068 0.000 1.417 472 I CB -0.378 37.697 38.000 0.124 0.000 1.078 472 I HN 0.411 nan 8.210 nan 0.000 0.421 473 W N 2.865 124.116 121.300 -0.082 0.000 2.354 473 W HA -0.284 4.376 4.660 -0.000 0.000 0.315 473 W C 2.506 178.961 176.519 -0.106 0.000 1.206 473 W CA 2.068 59.405 57.345 -0.013 0.000 1.290 473 W CB -0.223 29.210 29.460 -0.046 0.000 1.152 473 W HN 0.214 nan 8.180 nan 0.000 0.489 474 E N 1.112 121.050 120.200 -0.437 0.000 2.160 474 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 474 E C 1.897 178.191 176.600 -0.509 0.000 0.991 474 E CA 2.366 58.339 56.400 -0.712 0.000 0.810 474 E CB -1.045 28.255 29.700 -0.667 0.000 0.742 474 E HN 0.233 nan 8.360 nan 0.000 0.466 475 A N -0.246 122.349 122.820 -0.375 0.000 1.897 475 A HA 0.001 4.321 4.320 -0.000 0.000 0.215 475 A C 1.949 179.321 177.584 -0.353 0.000 1.181 475 A CA 1.230 53.085 52.037 -0.303 0.000 0.620 475 A CB -0.788 18.039 19.000 -0.288 0.000 0.821 475 A HN 0.329 nan 8.150 nan 0.000 0.443 476 F N -0.023 119.795 119.950 -0.221 0.000 2.325 476 F HA 0.094 4.621 4.527 -0.000 0.000 0.299 476 F C 2.627 178.153 175.800 -0.456 0.000 1.090 476 F CA 0.451 58.293 58.000 -0.263 0.000 1.392 476 F CB -0.348 38.622 39.000 -0.050 0.000 1.053 476 F HN 0.260 nan 8.300 nan 0.000 0.521 477 A N -1.078 121.466 122.820 -0.461 0.000 1.898 477 A HA -0.083 4.237 4.320 -0.000 0.000 0.214 477 A C 2.360 179.693 177.584 -0.418 0.000 1.183 477 A CA 1.784 53.462 52.037 -0.600 0.000 0.622 477 A CB -0.843 17.368 19.000 -1.314 0.000 0.824 477 A HN 0.251 nan 8.150 nan 0.000 0.444 478 S N -0.746 114.712 115.700 -0.404 0.000 2.414 478 S HA 0.041 4.511 4.470 -0.000 0.000 0.227 478 S C 0.367 174.802 174.600 -0.275 0.000 1.022 478 S CA 0.639 58.676 58.200 -0.271 0.000 0.958 478 S CB -0.151 62.927 63.200 -0.204 0.000 0.797 478 S HN 0.570 nan 8.310 nan 0.000 0.493 479 K N 1.226 121.350 120.400 -0.459 0.000 3.619 479 K HA -0.156 4.164 4.320 -0.000 0.000 0.275 479 K C -1.068 175.409 176.600 -0.205 0.000 0.993 479 K CA 0.293 56.198 56.287 -0.636 0.000 0.787 479 K CB -1.162 31.071 32.500 -0.444 0.000 1.431 479 K HN 0.384 nan 8.250 nan 0.000 0.451 480 R N 1.750 122.204 120.500 -0.076 0.000 2.196 480 R HA 0.176 4.516 4.340 -0.000 0.000 0.340 480 R C -0.013 176.416 176.300 0.215 0.000 1.043 480 R CA -0.464 55.673 56.100 0.062 0.000 0.883 480 R CB 0.764 31.090 30.300 0.043 0.000 1.078 480 R HN 0.263 nan 8.270 nan 0.000 0.462 481 E N 1.682 122.013 120.200 0.219 0.000 2.349 481 E HA 0.131 4.481 4.350 -0.000 0.000 0.265 481 E C -0.164 176.496 176.600 0.101 0.000 1.064 481 E CA -0.601 55.921 56.400 0.204 0.000 0.886 481 E CB 1.298 31.090 29.700 0.154 0.000 1.036 481 E HN 0.176 nan 8.360 nan 0.000 0.413 482 V N 3.688 123.638 119.914 0.059 0.000 2.637 482 V HA -0.022 4.098 4.120 -0.000 0.000 0.296 482 V C 1.034 177.147 176.094 0.032 0.000 1.046 482 V CA 0.419 62.742 62.300 0.039 0.000 1.066 482 V CB 0.663 32.506 31.823 0.034 0.000 0.968 482 V HN 0.661 nan 8.190 nan 0.000 0.483 483 L N 2.843 124.080 121.223 0.023 0.000 2.471 483 L HA 0.245 4.585 4.340 -0.000 0.000 0.186 483 L C 1.060 177.936 176.870 0.009 0.000 1.191 483 L CA 0.684 55.535 54.840 0.018 0.000 0.835 483 L CB 0.242 42.310 42.059 0.014 0.000 1.092 483 L HN 0.827 nan 8.230 nan 0.000 0.495 484 T N -1.764 112.785 114.554 -0.008 0.000 2.908 484 T HA 0.688 5.038 4.350 -0.000 0.000 0.290 484 T C -0.705 173.954 174.700 -0.068 0.000 1.034 484 T CA -0.618 61.468 62.100 -0.024 0.000 1.010 484 T CB 2.379 71.232 68.868 -0.025 0.000 1.068 484 T HN -0.144 nan 8.240 nan 0.000 0.481 485 V N 2.002 121.857 119.914 -0.099 0.000 2.656 485 V HA 0.439 4.559 4.120 -0.000 0.000 0.307 485 V C -0.640 175.343 176.094 -0.186 0.000 1.051 485 V CA -0.946 61.220 62.300 -0.223 0.000 0.893 485 V CB 1.833 33.435 31.823 -0.369 0.000 0.999 485 V HN 0.976 nan 8.190 nan 0.000 0.426 486 D N 2.673 122.951 120.400 -0.204 0.000 2.358 486 D HA 0.538 5.178 4.640 -0.000 0.000 0.244 486 D C 0.771 176.938 176.300 -0.222 0.000 1.163 486 D CA -0.150 53.723 54.000 -0.212 0.000 0.945 486 D CB 0.538 41.161 40.800 -0.295 0.000 1.152 486 D HN 0.517 nan 8.370 nan 0.000 0.451 487 L N -0.032 121.068 121.223 -0.204 0.000 3.737 487 L HA -0.285 4.055 4.340 -0.000 0.000 0.418 487 L C 1.518 178.398 176.870 0.016 0.000 1.216 487 L CA 0.601 55.356 54.840 -0.142 0.000 0.915 487 L CB -2.289 39.573 42.059 -0.328 0.000 1.834 487 L HN 0.624 nan 8.230 nan 0.000 0.943 488 T N -5.654 108.919 114.554 0.030 0.000 2.962 488 T HA -0.153 4.197 4.350 -0.000 0.000 0.270 488 T C 1.772 176.557 174.700 0.141 0.000 1.088 488 T CA 1.287 63.463 62.100 0.126 0.000 1.127 488 T CB -0.343 68.596 68.868 0.118 0.000 0.883 488 T HN 0.617 nan 8.240 nan 0.000 0.493 489 T N 0.972 115.578 114.554 0.087 0.000 2.833 489 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 489 T C 1.863 176.627 174.700 0.107 0.000 1.054 489 T CA 1.581 63.734 62.100 0.087 0.000 1.135 489 T CB -1.047 67.852 68.868 0.051 0.000 0.869 489 T HN 0.642 nan 8.240 nan 0.000 0.466 490 T N -1.198 113.426 114.554 0.116 0.000 3.174 490 T HA 0.323 4.673 4.350 -0.000 0.000 0.269 490 T C 0.250 175.075 174.700 0.209 0.000 1.017 490 T CA -0.791 61.387 62.100 0.130 0.000 0.899 490 T CB -0.117 68.802 68.868 0.085 0.000 1.077 490 T HN 0.288 nan 8.240 nan 0.000 0.552 491 N N 1.464 120.330 118.700 0.278 0.000 2.726 491 N HA 0.248 4.988 4.740 -0.000 0.000 0.253 491 N C 0.676 176.452 175.510 0.443 0.000 1.530 491 N CA -0.245 53.060 53.050 0.424 0.000 0.772 491 N CB 1.424 40.258 38.487 0.578 0.000 1.220 491 N HN 0.132 nan 8.380 nan 0.000 0.508 492 L N 1.273 122.698 121.223 0.337 0.000 2.137 492 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 492 L C 2.507 179.574 176.870 0.329 0.000 1.085 492 L CA 1.822 56.850 54.840 0.313 0.000 0.760 492 L CB 0.098 42.312 42.059 0.258 0.000 0.893 492 L HN 0.489 nan 8.230 nan 0.000 0.434 493 E N -0.860 119.508 120.200 0.281 0.000 2.267 493 E HA -0.274 4.076 4.350 -0.000 0.000 0.197 493 E C 1.663 178.308 176.600 0.074 0.000 0.998 493 E CA 1.527 58.011 56.400 0.141 0.000 0.830 493 E CB -0.653 29.032 29.700 -0.025 0.000 0.751 493 E HN 0.645 nan 8.360 nan 0.000 0.491 494 W N 0.873 122.281 121.300 0.180 0.000 3.003 494 W HA 0.311 4.971 4.660 0.000 0.000 0.257 494 W C 2.092 178.669 176.519 0.096 0.000 1.308 494 W CA -0.331 57.082 57.345 0.113 0.000 1.529 494 W CB -0.106 29.406 29.460 0.087 0.000 1.115 494 W HN -0.052 nan 8.180 nan 0.000 0.659 495 L N 1.070 122.483 121.223 0.317 0.000 2.450 495 L HA -0.145 4.195 4.340 -0.000 0.000 0.224 495 L C 1.177 178.117 176.870 0.116 0.000 1.149 495 L CA 0.939 55.903 54.840 0.205 0.000 0.816 495 L CB -0.378 41.799 42.059 0.197 0.000 0.932 495 L HN 0.113 nan 8.230 nan 0.000 0.449 496 N N 0.119 118.875 118.700 0.093 0.000 2.238 496 N HA 0.154 4.894 4.740 -0.000 0.000 0.222 496 N C 0.642 176.183 175.510 0.051 0.000 1.133 496 N CA 0.698 53.758 53.050 0.017 0.000 0.854 496 N CB 0.966 39.407 38.487 -0.075 0.000 1.041 496 N HN 0.328 nan 8.380 nan 0.000 0.510 497 G N 0.578 109.437 108.800 0.099 0.000 2.795 497 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.664 497 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.664 497 G C -0.721 174.235 174.900 0.094 0.000 1.381 497 G CA -0.779 44.377 45.100 0.093 0.000 0.853 497 G HN 0.298 nan 8.290 nan 0.000 0.545 498 C N 2.561 121.901 119.300 0.067 0.000 2.316 498 C HA 0.717 5.177 4.460 -0.000 0.000 0.324 498 C C -1.408 173.555 174.990 -0.045 0.000 1.226 498 C CA -0.867 58.161 59.018 0.018 0.000 1.450 498 C CB 1.115 28.880 27.740 0.043 0.000 2.123 498 C HN 0.826 nan 8.230 nan 0.000 0.454 499 P HA 0.400 nan 4.420 nan 0.000 0.282 499 P C -2.646 174.701 177.300 0.078 0.000 1.259 499 P CA -1.438 61.678 63.100 0.027 0.000 0.826 499 P CB 0.539 32.280 31.700 0.069 0.000 1.064 500 P HA 0.162 nan 4.420 nan 0.000 0.272 500 P C -2.267 175.071 177.300 0.062 0.000 1.223 500 P CA -1.223 61.934 63.100 0.096 0.000 0.784 500 P CB -0.913 30.875 31.700 0.146 0.000 0.923 501 P HA -0.050 nan 4.420 nan 0.000 0.270 501 P C 0.809 178.111 177.300 0.004 0.000 1.223 501 P CA -0.044 63.075 63.100 0.032 0.000 0.785 501 P CB 0.485 32.202 31.700 0.030 0.000 0.923 502 Y N 1.950 122.168 120.300 -0.138 0.000 2.062 502 Y HA -0.253 4.297 4.550 -0.000 0.000 0.276 502 Y C 0.973 176.661 175.900 -0.354 0.000 1.189 502 Y CA 1.900 59.825 58.100 -0.291 0.000 1.130 502 Y CB -0.629 37.647 38.460 -0.307 0.000 0.959 502 Y HN 0.438 nan 8.280 nan 0.000 0.499 503 H N -0.151 118.964 119.070 0.074 0.000 2.581 503 H HA 0.333 4.889 4.556 -0.000 0.000 0.308 503 H C -0.177 175.141 175.328 -0.018 0.000 1.040 503 H CA -0.221 55.836 56.048 0.015 0.000 1.231 503 H CB 0.791 30.596 29.762 0.073 0.000 1.396 503 H HN 0.063 nan 8.280 nan 0.000 0.467 504 T N -0.101 114.513 114.554 0.101 0.000 2.945 504 T HA 0.275 4.625 4.350 -0.000 0.000 0.286 504 T C 0.034 174.754 174.700 0.033 0.000 1.025 504 T CA -0.923 61.139 62.100 -0.064 0.000 1.039 504 T CB 0.843 69.665 68.868 -0.078 0.000 1.068 504 T HN 0.555 nan 8.240 nan 0.000 0.497 505 F N -0.526 119.467 119.950 0.072 0.000 3.090 505 F HA -0.206 4.321 4.527 -0.000 0.000 0.282 505 F C 1.313 177.134 175.800 0.034 0.000 0.923 505 F CA 0.442 58.471 58.000 0.049 0.000 0.977 505 F CB -2.420 36.600 39.000 0.033 0.000 0.954 505 F HN 0.792 nan 8.300 nan 0.000 0.695 506 E N 0.228 120.485 120.200 0.096 0.000 2.204 506 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 506 E C 1.093 177.729 176.600 0.061 0.000 0.990 506 E CA 1.325 57.757 56.400 0.052 0.000 0.821 506 E CB 0.096 29.796 29.700 0.001 0.000 0.750 506 E HN 0.648 nan 8.360 nan 0.000 0.477 507 E N 1.272 121.520 120.200 0.080 0.000 2.155 507 E HA 0.204 4.554 4.350 -0.000 0.000 0.264 507 E C -2.535 174.161 176.600 0.160 0.000 0.886 507 E CA -2.725 53.728 56.400 0.088 0.000 0.752 507 E CB 1.269 31.007 29.700 0.063 0.000 1.133 507 E HN -0.209 nan 8.360 nan 0.000 0.414 508 P HA -0.017 nan 4.420 nan 0.000 0.271 508 P C -0.469 176.959 177.300 0.213 0.000 1.238 508 P CA -0.194 63.013 63.100 0.178 0.000 0.794 508 P CB 0.394 32.144 31.700 0.083 0.000 0.959 509 T N -1.896 112.778 114.554 0.200 0.000 2.828 509 T HA 0.224 4.574 4.350 -0.000 0.000 0.290 509 T C -0.737 174.068 174.700 0.175 0.000 1.019 509 T CA -0.264 61.961 62.100 0.208 0.000 1.031 509 T CB 0.168 69.120 68.868 0.141 0.000 1.001 509 T HN 0.314 nan 8.240 nan 0.000 0.531 510 Y N 0.897 121.236 120.300 0.064 0.000 2.334 510 Y HA 0.565 5.115 4.550 -0.000 0.000 0.336 510 Y C -1.358 174.562 175.900 0.033 0.000 0.960 510 Y CA -1.028 57.097 58.100 0.041 0.000 1.164 510 Y CB 0.950 39.434 38.460 0.041 0.000 1.155 510 Y HN 0.579 nan 8.280 nan 0.000 0.478 511 V N 6.496 126.194 119.914 -0.360 0.000 2.525 511 V HA 0.260 4.380 4.120 -0.000 0.000 0.299 511 V C -0.518 175.344 176.094 -0.386 0.000 1.034 511 V CA -1.237 60.917 62.300 -0.243 0.000 0.863 511 V CB 1.616 33.373 31.823 -0.111 0.000 0.999 511 V HN 0.852 nan 8.190 nan 0.000 0.423 512 N N 3.091 121.621 118.700 -0.284 0.000 2.492 512 N HA 0.228 4.968 4.740 -0.000 0.000 0.260 512 N C -0.394 175.046 175.510 -0.117 0.000 1.215 512 N CA -0.454 52.474 53.050 -0.203 0.000 0.923 512 N CB 0.829 39.297 38.487 -0.032 0.000 1.092 512 N HN 0.508 nan 8.380 nan 0.000 0.448 513 L N 3.442 124.606 121.223 -0.098 0.000 2.389 513 L HA 0.213 4.553 4.340 -0.000 0.000 0.265 513 L C -0.130 176.725 176.870 -0.026 0.000 1.167 513 L CA 0.251 55.057 54.840 -0.057 0.000 1.045 513 L CB -0.617 41.410 42.059 -0.054 0.000 1.351 513 L HN 0.561 nan 8.230 nan 0.000 0.419 514 K N 0.000 120.390 120.400 -0.016 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 514 K CB 0.000 32.503 32.500 0.005 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543