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 1ocr_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 0.000 176.335 176.300 0.058 0.000 1.140 1 M CA 0.000 55.314 55.300 0.023 0.000 0.988 1 M CB 0.000 32.580 32.600 -0.033 0.000 1.302 2 F N 2.651 122.616 119.950 0.024 0.000 2.147 2 F HA -0.230 4.297 4.527 -0.000 0.000 0.301 2 F C 1.472 177.301 175.800 0.048 0.000 1.084 2 F CA 2.133 60.220 58.000 0.146 0.000 1.268 2 F CB 0.179 39.241 39.000 0.103 0.000 1.009 2 F HN 0.656 nan 8.300 nan 0.000 0.486 3 I N 0.316 120.897 120.570 0.018 0.000 2.072 3 I HA -0.328 3.842 4.170 -0.000 0.000 0.235 3 I C 2.025 177.815 176.117 -0.545 0.000 1.058 3 I CA 1.778 62.883 61.300 -0.326 0.000 1.320 3 I CB -1.815 35.914 38.000 -0.451 0.000 1.047 3 I HN 0.114 nan 8.210 nan 0.000 0.397 4 N N 0.282 118.726 118.700 -0.427 0.000 2.184 4 N HA -0.236 4.504 4.740 -0.000 0.000 0.190 4 N C 1.980 177.353 175.510 -0.228 0.000 1.011 4 N CA 1.472 54.368 53.050 -0.257 0.000 0.867 4 N CB -0.186 38.231 38.487 -0.117 0.000 0.993 4 N HN 0.318 nan 8.380 nan 0.000 0.433 5 R N -0.892 119.395 120.500 -0.354 0.000 2.075 5 R HA 0.018 4.358 4.340 -0.000 0.000 0.220 5 R C 1.048 176.885 176.300 -0.772 0.000 1.118 5 R CA 0.941 56.680 56.100 -0.601 0.000 0.986 5 R CB -0.056 29.760 30.300 -0.807 0.000 0.884 5 R HN 0.289 nan 8.270 nan 0.000 0.439 6 W N -0.197 120.899 121.300 -0.341 0.000 2.996 6 W HA 0.242 4.902 4.660 -0.000 0.000 0.270 6 W C 1.407 177.914 176.519 -0.020 0.000 1.280 6 W CA -0.194 56.957 57.345 -0.323 0.000 1.549 6 W CB 0.442 29.438 29.460 -0.774 0.000 1.079 6 W HN 0.036 nan 8.180 nan 0.000 0.629 7 L N -1.559 119.718 121.223 0.090 0.000 2.642 7 L HA 0.188 4.528 4.340 -0.000 0.000 0.233 7 L C 0.610 177.750 176.870 0.451 0.000 1.077 7 L CA 0.312 55.272 54.840 0.201 0.000 0.879 7 L CB -0.060 41.928 42.059 -0.120 0.000 1.151 7 L HN -0.127 nan 8.230 nan 0.000 0.495 8 F N -0.137 119.828 119.950 0.025 0.000 2.791 8 F HA 0.296 4.823 4.527 -0.000 0.000 0.308 8 F C 1.291 177.092 175.800 0.001 0.000 1.138 8 F CA -1.146 56.858 58.000 0.005 0.000 1.294 8 F CB -0.566 38.416 39.000 -0.030 0.000 0.975 8 F HN -0.196 nan 8.300 nan 0.000 0.512 9 S N 1.048 116.850 115.700 0.170 0.000 2.569 9 S HA 0.232 4.702 4.470 -0.000 0.000 0.274 9 S C 1.046 175.670 174.600 0.039 0.000 1.353 9 S CA 0.926 59.140 58.200 0.022 0.000 1.023 9 S CB 0.407 63.552 63.200 -0.090 0.000 0.876 9 S HN 0.496 nan 8.310 nan 0.000 0.540 10 T N 0.525 115.067 114.554 -0.020 0.000 3.641 10 T HA 0.289 4.639 4.350 -0.000 0.000 0.313 10 T C -0.492 174.150 174.700 -0.098 0.000 0.952 10 T CA -0.692 61.398 62.100 -0.016 0.000 1.004 10 T CB -0.673 68.210 68.868 0.025 0.000 1.209 10 T HN 0.547 nan 8.240 nan 0.000 0.493 11 N N 1.427 119.995 118.700 -0.220 0.000 2.407 11 N HA 0.173 4.913 4.740 -0.000 0.000 0.277 11 N C 1.066 176.324 175.510 -0.420 0.000 0.995 11 N CA -0.279 52.509 53.050 -0.437 0.000 0.903 11 N CB 1.488 39.462 38.487 -0.855 0.000 1.218 11 N HN 0.562 nan 8.380 nan 0.000 0.487 12 H N 3.438 122.278 119.070 -0.382 0.000 2.422 12 H HA -0.059 4.497 4.556 -0.000 0.000 0.298 12 H C 0.992 175.994 175.328 -0.543 0.000 1.098 12 H CA 1.512 57.344 56.048 -0.360 0.000 1.315 12 H CB 0.323 29.915 29.762 -0.285 0.000 1.382 12 H HN 0.495 nan 8.280 nan 0.000 0.523 13 K N 0.258 119.844 120.400 -1.357 0.000 2.007 13 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 13 K C 1.748 177.716 176.600 -1.053 0.000 1.047 13 K CA 1.293 56.594 56.287 -1.644 0.000 0.937 13 K CB 0.027 31.521 32.500 -1.677 0.000 0.718 13 K HN 0.279 nan 8.250 nan 0.000 0.438 14 D N 1.140 121.115 120.400 -0.708 0.000 2.149 14 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 14 D C 1.877 178.041 176.300 -0.228 0.000 0.990 14 D CA 1.045 54.818 54.000 -0.379 0.000 0.839 14 D CB -0.197 40.206 40.800 -0.662 0.000 0.948 14 D HN 0.174 nan 8.370 nan 0.000 0.460 15 I N 0.698 121.086 120.570 -0.302 0.000 2.252 15 I HA -0.123 4.047 4.170 -0.000 0.000 0.245 15 I C 2.557 178.614 176.117 -0.100 0.000 1.102 15 I CA 1.194 62.366 61.300 -0.213 0.000 1.385 15 I CB -0.425 37.521 38.000 -0.090 0.000 1.064 15 I HN 0.008 nan 8.210 nan 0.000 0.414 16 G N 0.235 108.938 108.800 -0.162 0.000 2.440 16 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 16 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 16 G C 1.669 176.611 174.900 0.071 0.000 1.154 16 G CA 1.521 46.602 45.100 -0.031 0.000 0.767 16 G HN 0.287 nan 8.290 nan 0.000 0.552 17 T N 1.156 115.718 114.554 0.014 0.000 2.746 17 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 17 T C 2.287 176.987 174.700 0.000 0.000 1.039 17 T CA 0.817 63.001 62.100 0.140 0.000 1.142 17 T CB -0.191 68.816 68.868 0.232 0.000 0.866 17 T HN 0.035 nan 8.240 nan 0.000 0.444 18 L N 0.165 121.279 121.223 -0.181 0.000 2.042 18 L HA -0.033 4.307 4.340 -0.000 0.000 0.210 18 L C 2.084 178.712 176.870 -0.404 0.000 1.076 18 L CA 1.622 56.137 54.840 -0.541 0.000 0.749 18 L CB -1.234 40.103 42.059 -1.202 0.000 0.893 18 L HN 0.320 nan 8.230 nan 0.000 0.432 19 Y N -0.810 119.328 120.300 -0.271 0.000 2.181 19 Y HA -0.235 4.315 4.550 -0.000 0.000 0.288 19 Y C 2.475 178.482 175.900 0.178 0.000 1.146 19 Y CA 1.375 59.530 58.100 0.091 0.000 1.164 19 Y CB -0.414 38.105 38.460 0.098 0.000 0.982 19 Y HN 0.084 nan 8.280 nan 0.000 0.515 20 L N -0.924 120.443 121.223 0.239 0.000 2.083 20 L HA -0.249 4.091 4.340 -0.000 0.000 0.209 20 L C 2.207 179.209 176.870 0.220 0.000 1.083 20 L CA 1.058 56.008 54.840 0.183 0.000 0.752 20 L CB -0.600 41.514 42.059 0.092 0.000 0.899 20 L HN 0.285 nan 8.230 nan 0.000 0.433 21 L N -1.434 119.909 121.223 0.199 0.000 2.027 21 L HA -0.230 4.110 4.340 -0.000 0.000 0.206 21 L C 2.533 179.582 176.870 0.299 0.000 1.074 21 L CA 1.279 56.239 54.840 0.199 0.000 0.745 21 L CB -0.511 41.609 42.059 0.102 0.000 0.898 21 L HN 0.157 nan 8.230 nan 0.000 0.433 22 F N 0.886 120.966 119.950 0.217 0.000 2.069 22 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 22 F C 2.253 178.276 175.800 0.372 0.000 1.113 22 F CA 1.795 59.984 58.000 0.317 0.000 1.214 22 F CB -0.713 38.512 39.000 0.376 0.000 0.978 22 F HN 0.000 nan 8.300 nan 0.000 0.474 23 G N -0.354 108.771 108.800 0.541 0.000 2.442 23 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 23 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 23 G C 1.779 176.796 174.900 0.196 0.000 1.141 23 G CA 0.897 46.215 45.100 0.363 0.000 0.763 23 G HN 0.664 nan 8.290 nan 0.000 0.554 24 A N -0.032 122.902 122.820 0.190 0.000 1.877 24 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 24 A C 2.150 179.812 177.584 0.131 0.000 1.186 24 A CA 1.607 53.715 52.037 0.120 0.000 0.620 24 A CB -0.797 18.276 19.000 0.121 0.000 0.822 24 A HN 0.521 nan 8.150 nan 0.000 0.443 25 W N 0.469 121.767 121.300 -0.004 0.000 2.333 25 W HA -0.165 4.495 4.660 -0.000 0.000 0.316 25 W C 2.608 179.115 176.519 -0.019 0.000 1.215 25 W CA 2.550 59.880 57.345 -0.025 0.000 1.278 25 W CB -0.370 29.058 29.460 -0.053 0.000 1.154 25 W HN 0.369 nan 8.180 nan 0.000 0.486 26 A N 0.417 123.323 122.820 0.143 0.000 1.948 26 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 26 A C 2.178 179.760 177.584 -0.003 0.000 1.177 26 A CA 2.154 54.241 52.037 0.083 0.000 0.636 26 A CB -1.720 17.247 19.000 -0.054 0.000 0.815 26 A HN 0.455 nan 8.150 nan 0.000 0.449 27 G N -1.316 107.484 108.800 -0.001 0.000 2.448 27 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.219 27 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.219 27 G C 1.440 176.308 174.900 -0.053 0.000 1.127 27 G CA 1.141 46.239 45.100 -0.002 0.000 0.766 27 G HN 0.385 nan 8.290 nan 0.000 0.552 28 M N 0.405 119.913 119.600 -0.152 0.000 2.156 28 M HA 0.038 4.518 4.480 -0.000 0.000 0.264 28 M C 2.756 178.933 176.300 -0.206 0.000 1.067 28 M CA 0.680 55.861 55.300 -0.199 0.000 1.131 28 M CB -1.067 31.342 32.600 -0.319 0.000 1.368 28 M HN 0.098 nan 8.290 nan 0.000 0.416 29 V N 0.636 120.381 119.914 -0.283 0.000 2.287 29 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 29 V C 2.672 178.760 176.094 -0.011 0.000 1.053 29 V CA 2.189 64.383 62.300 -0.177 0.000 1.027 29 V CB -1.763 30.001 31.823 -0.099 0.000 0.646 29 V HN 0.572 nan 8.190 nan 0.000 0.447 30 G N -0.792 108.032 108.800 0.040 0.000 2.408 30 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 30 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 30 G C 1.682 176.672 174.900 0.150 0.000 1.150 30 G CA 1.437 46.612 45.100 0.124 0.000 0.776 30 G HN 0.479 nan 8.290 nan 0.000 0.542 31 T N 1.598 116.188 114.554 0.060 0.000 2.777 31 T HA 0.068 4.418 4.350 -0.000 0.000 0.266 31 T C 2.847 177.542 174.700 -0.008 0.000 1.040 31 T CA 1.359 63.483 62.100 0.041 0.000 1.141 31 T CB -0.353 68.515 68.868 0.001 0.000 0.868 31 T HN 0.357 nan 8.240 nan 0.000 0.444 32 A N 1.493 124.290 122.820 -0.037 0.000 1.883 32 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 32 A C 2.304 179.869 177.584 -0.032 0.000 1.186 32 A CA 1.395 53.397 52.037 -0.059 0.000 0.624 32 A CB -1.010 17.948 19.000 -0.071 0.000 0.822 32 A HN 0.473 nan 8.150 nan 0.000 0.444 33 L N 0.491 121.723 121.223 0.015 0.000 2.079 33 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 33 L C 3.019 179.856 176.870 -0.054 0.000 1.081 33 L CA 1.687 56.544 54.840 0.028 0.000 0.752 33 L CB -0.500 41.631 42.059 0.120 0.000 0.896 33 L HN 0.645 nan 8.230 nan 0.000 0.433 34 S N -0.311 115.349 115.700 -0.066 0.000 2.423 34 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 34 S C 1.898 176.411 174.600 -0.145 0.000 1.014 34 S CA 0.784 58.837 58.200 -0.244 0.000 0.965 34 S CB -0.533 62.600 63.200 -0.111 0.000 0.785 34 S HN 0.374 nan 8.310 nan 0.000 0.495 35 L N 0.456 121.613 121.223 -0.110 0.000 2.109 35 L HA 0.111 4.451 4.340 -0.000 0.000 0.207 35 L C 2.557 179.403 176.870 -0.039 0.000 1.086 35 L CA 0.788 55.551 54.840 -0.129 0.000 0.760 35 L CB -0.519 41.394 42.059 -0.244 0.000 0.910 35 L HN 0.287 nan 8.230 nan 0.000 0.437 36 L N -0.406 120.805 121.223 -0.020 0.000 2.083 36 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 36 L C 2.443 179.369 176.870 0.093 0.000 1.083 36 L CA 1.228 56.093 54.840 0.041 0.000 0.752 36 L CB -0.343 41.736 42.059 0.034 0.000 0.899 36 L HN 0.230 nan 8.230 nan 0.000 0.433 37 I N -0.719 119.877 120.570 0.043 0.000 2.113 37 I HA -0.271 3.899 4.170 -0.000 0.000 0.238 37 I C 2.638 178.868 176.117 0.188 0.000 1.070 37 I CA 1.094 62.473 61.300 0.131 0.000 1.332 37 I CB -0.389 37.591 38.000 -0.032 0.000 1.044 37 I HN 0.256 nan 8.210 nan 0.000 0.402 38 R N 0.975 121.527 120.500 0.088 0.000 2.148 38 R HA -0.030 4.310 4.340 -0.000 0.000 0.227 38 R C 2.222 178.611 176.300 0.148 0.000 1.103 38 R CA 1.261 57.419 56.100 0.096 0.000 0.983 38 R CB -0.972 29.358 30.300 0.049 0.000 0.874 38 R HN 0.401 nan 8.270 nan 0.000 0.451 39 A N 1.223 124.142 122.820 0.164 0.000 1.858 39 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 39 A C 2.170 179.838 177.584 0.139 0.000 1.190 39 A CA 1.714 53.858 52.037 0.178 0.000 0.617 39 A CB -0.411 18.689 19.000 0.167 0.000 0.827 39 A HN 0.287 nan 8.150 nan 0.000 0.443 40 E N 0.198 120.490 120.200 0.154 0.000 2.118 40 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 40 E C 1.520 178.180 176.600 0.100 0.000 0.992 40 E CA 1.428 57.900 56.400 0.120 0.000 0.804 40 E CB -0.371 29.436 29.700 0.178 0.000 0.741 40 E HN 0.583 nan 8.360 nan 0.000 0.458 41 L N -0.725 120.592 121.223 0.156 0.000 2.592 41 L HA 0.270 4.610 4.340 -0.000 0.000 0.227 41 L C 1.974 178.979 176.870 0.224 0.000 1.127 41 L CA 0.329 55.306 54.840 0.229 0.000 0.884 41 L CB 0.162 42.329 42.059 0.181 0.000 1.065 41 L HN 0.213 nan 8.230 nan 0.000 0.457 42 G N -0.775 108.110 108.800 0.142 0.000 2.848 42 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.208 42 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.208 42 G C 0.518 175.477 174.900 0.099 0.000 1.152 42 G CA 0.157 45.317 45.100 0.100 0.000 0.789 42 G HN 0.335 nan 8.290 nan 0.000 0.531 43 Q N -0.423 119.448 119.800 0.118 0.000 2.352 43 Q HA 0.275 4.615 4.340 -0.000 0.000 0.270 43 Q C -2.971 173.017 176.000 -0.021 0.000 1.006 43 Q CA -1.582 54.257 55.803 0.061 0.000 0.880 43 Q CB 2.715 31.459 28.738 0.010 0.000 1.392 43 Q HN -0.054 nan 8.270 nan 0.000 0.401 44 P HA 0.272 nan 4.420 nan 0.000 0.267 44 P C -0.121 177.044 177.300 -0.225 0.000 1.200 44 P CA 0.988 63.888 63.100 -0.333 0.000 0.772 44 P CB 0.552 32.120 31.700 -0.221 0.000 0.855 45 G N 0.762 109.401 108.800 -0.267 0.000 2.466 45 G HA2 0.149 4.109 3.960 -0.000 0.000 0.316 45 G HA3 0.149 4.109 3.960 -0.000 0.000 0.316 45 G C -0.844 173.966 174.900 -0.150 0.000 1.270 45 G CA -0.268 44.732 45.100 -0.166 0.000 0.982 45 G HN 0.797 nan 8.290 nan 0.000 0.506 46 T N -1.975 112.520 114.554 -0.098 0.000 2.863 46 T HA 0.696 5.046 4.350 -0.000 0.000 0.285 46 T C 0.732 175.410 174.700 -0.037 0.000 1.009 46 T CA 0.245 62.299 62.100 -0.076 0.000 0.989 46 T CB 2.008 70.835 68.868 -0.068 0.000 1.004 46 T HN 1.764 nan 8.240 nan 0.000 0.455 47 L N 2.547 123.763 121.223 -0.011 0.000 2.435 47 L HA 0.492 4.832 4.340 -0.000 0.000 0.195 47 L C 1.894 178.784 176.870 0.032 0.000 1.072 47 L CA 0.654 55.504 54.840 0.016 0.000 0.833 47 L CB -0.576 41.506 42.059 0.038 0.000 1.081 47 L HN 0.779 nan 8.230 nan 0.000 0.485 48 L N -0.100 121.155 121.223 0.054 0.000 2.362 48 L HA 0.097 4.437 4.340 -0.000 0.000 0.219 48 L C 1.810 178.709 176.870 0.049 0.000 1.134 48 L CA 0.992 55.873 54.840 0.069 0.000 0.807 48 L CB -0.902 41.227 42.059 0.117 0.000 0.927 48 L HN 0.683 nan 8.230 nan 0.000 0.447 49 G N 0.330 109.147 108.800 0.029 0.000 5.005 49 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.251 49 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.251 49 G C 0.015 174.927 174.900 0.020 0.000 1.536 49 G CA 0.113 45.224 45.100 0.019 0.000 1.060 49 G HN 0.453 nan 8.290 nan 0.000 0.683 50 D N 1.648 122.071 120.400 0.039 0.000 2.193 50 D HA 0.450 5.090 4.640 -0.000 0.000 0.244 50 D C -0.110 176.235 176.300 0.076 0.000 1.064 50 D CA -0.208 53.817 54.000 0.042 0.000 0.845 50 D CB 1.495 42.317 40.800 0.036 0.000 1.148 50 D HN 0.288 nan 8.370 nan 0.000 0.464 51 D N 1.732 122.172 120.400 0.066 0.000 2.350 51 D HA -0.172 4.468 4.640 -0.000 0.000 0.216 51 D C 1.555 177.957 176.300 0.169 0.000 0.968 51 D CA 0.849 54.917 54.000 0.114 0.000 0.894 51 D CB 0.263 41.091 40.800 0.047 0.000 0.909 51 D HN 0.544 nan 8.370 nan 0.000 0.520 52 Q N 0.567 120.438 119.800 0.118 0.000 2.123 52 Q HA -0.092 4.248 4.340 -0.000 0.000 0.199 52 Q C 1.947 178.030 176.000 0.137 0.000 0.966 52 Q CA 0.790 56.666 55.803 0.121 0.000 0.845 52 Q CB -0.022 28.761 28.738 0.075 0.000 0.907 52 Q HN 0.066 nan 8.270 nan 0.000 0.439 53 I N 0.386 121.033 120.570 0.129 0.000 2.286 53 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 53 I C 2.017 178.220 176.117 0.144 0.000 1.115 53 I CA 1.202 62.575 61.300 0.121 0.000 1.392 53 I CB -1.429 36.635 38.000 0.106 0.000 1.065 53 I HN 0.326 nan 8.210 nan 0.000 0.418 54 Y N 2.806 123.148 120.300 0.069 0.000 2.114 54 Y HA -0.272 4.278 4.550 -0.000 0.000 0.284 54 Y C 2.411 178.367 175.900 0.093 0.000 1.143 54 Y CA 1.899 60.046 58.100 0.079 0.000 1.135 54 Y CB -0.484 38.024 38.460 0.080 0.000 0.980 54 Y HN 0.193 nan 8.280 nan 0.000 0.499 55 N N 0.002 118.778 118.700 0.128 0.000 2.137 55 N HA -0.191 4.549 4.740 -0.000 0.000 0.190 55 N C 1.985 177.495 175.510 0.001 0.000 1.017 55 N CA 1.684 54.764 53.050 0.050 0.000 0.859 55 N CB -0.809 37.774 38.487 0.161 0.000 1.002 55 N HN 0.333 nan 8.380 nan 0.000 0.428 56 V N 0.446 120.389 119.914 0.048 0.000 2.343 56 V HA -0.151 3.969 4.120 -0.000 0.000 0.247 56 V C 2.339 178.449 176.094 0.027 0.000 1.051 56 V CA 1.075 63.413 62.300 0.062 0.000 1.036 56 V CB -0.368 31.508 31.823 0.089 0.000 0.654 56 V HN 0.088 nan 8.190 nan 0.000 0.451 57 V N -0.499 119.397 119.914 -0.031 0.000 2.307 57 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 57 V C 2.406 178.453 176.094 -0.078 0.000 1.045 57 V CA 1.804 64.075 62.300 -0.048 0.000 1.024 57 V CB -0.213 31.561 31.823 -0.082 0.000 0.651 57 V HN 0.403 nan 8.190 nan 0.000 0.449 58 V N -0.069 119.711 119.914 -0.224 0.000 2.392 58 V HA -0.282 3.838 4.120 -0.000 0.000 0.249 58 V C 2.533 178.623 176.094 -0.007 0.000 1.059 58 V CA 2.626 64.833 62.300 -0.155 0.000 1.051 58 V CB -0.996 30.678 31.823 -0.249 0.000 0.658 58 V HN 0.626 nan 8.190 nan 0.000 0.455 59 T N 0.433 114.968 114.554 -0.031 0.000 2.668 59 T HA -0.147 4.203 4.350 -0.000 0.000 0.262 59 T C 2.106 176.775 174.700 -0.052 0.000 1.045 59 T CA 1.664 63.721 62.100 -0.071 0.000 1.152 59 T CB -0.511 68.344 68.868 -0.022 0.000 0.864 59 T HN 0.567 nan 8.240 nan 0.000 0.419 60 A N 1.288 124.171 122.820 0.105 0.000 1.940 60 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 60 A C 2.006 179.709 177.584 0.199 0.000 1.176 60 A CA 2.461 54.631 52.037 0.221 0.000 0.631 60 A CB -1.045 18.080 19.000 0.209 0.000 0.814 60 A HN 0.717 nan 8.150 nan 0.000 0.446 61 H N 0.241 119.335 119.070 0.040 0.000 2.289 61 H HA -0.060 4.496 4.556 -0.000 0.000 0.296 61 H C 2.152 177.480 175.328 0.001 0.000 1.091 61 H CA 2.370 58.438 56.048 0.033 0.000 1.274 61 H CB -0.470 29.299 29.762 0.011 0.000 1.364 61 H HN 0.371 nan 8.280 nan 0.000 0.490 62 A N 0.005 122.686 122.820 -0.232 0.000 1.883 62 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 62 A C 2.232 179.661 177.584 -0.258 0.000 1.186 62 A CA 1.650 53.404 52.037 -0.471 0.000 0.624 62 A CB -1.094 17.571 19.000 -0.557 0.000 0.822 62 A HN 0.462 nan 8.150 nan 0.000 0.444 63 F N -0.140 119.864 119.950 0.089 0.000 2.186 63 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 63 F C 2.483 178.413 175.800 0.217 0.000 1.090 63 F CA 0.861 59.010 58.000 0.247 0.000 1.307 63 F CB -0.945 38.218 39.000 0.271 0.000 1.019 63 F HN 0.022 nan 8.300 nan 0.000 0.489 64 V N -0.373 119.766 119.914 0.375 0.000 2.270 64 V HA -0.301 3.819 4.120 -0.000 0.000 0.245 64 V C 2.520 178.688 176.094 0.123 0.000 1.043 64 V CA 1.484 63.976 62.300 0.320 0.000 1.014 64 V CB -0.565 31.406 31.823 0.246 0.000 0.645 64 V HN 0.184 nan 8.190 nan 0.000 0.447 65 M N -0.762 118.815 119.600 -0.038 0.000 2.117 65 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 65 M C 2.150 178.354 176.300 -0.160 0.000 1.065 65 M CA 1.967 57.195 55.300 -0.120 0.000 1.114 65 M CB -0.996 31.444 32.600 -0.267 0.000 1.361 65 M HN 0.287 nan 8.290 nan 0.000 0.408 66 I N -1.183 119.244 120.570 -0.238 0.000 2.188 66 I HA -0.240 3.930 4.170 -0.000 0.000 0.237 66 I C 2.124 177.975 176.117 -0.442 0.000 1.073 66 I CA 1.270 62.330 61.300 -0.400 0.000 1.359 66 I CB -0.415 37.226 38.000 -0.598 0.000 1.083 66 I HN 0.050 nan 8.210 nan 0.000 0.412 67 F N -0.296 119.496 119.950 -0.263 0.000 2.416 67 F HA -0.030 4.497 4.527 -0.000 0.000 0.296 67 F C 1.728 177.148 175.800 -0.635 0.000 1.099 67 F CA 0.993 58.684 58.000 -0.515 0.000 1.427 67 F CB -0.156 38.342 39.000 -0.837 0.000 1.079 67 F HN -0.058 nan 8.300 nan 0.000 0.536 68 F N -2.186 117.859 119.950 0.158 0.000 2.704 68 F HA 0.225 4.752 4.527 -0.000 0.000 0.304 68 F C 1.785 177.683 175.800 0.164 0.000 1.094 68 F CA 0.072 58.161 58.000 0.148 0.000 1.275 68 F CB -0.077 38.760 39.000 -0.271 0.000 1.073 68 F HN -0.099 nan 8.300 nan 0.000 0.586 69 M N -0.940 118.770 119.600 0.183 0.000 3.160 69 M HA 0.064 4.544 4.480 -0.000 0.000 0.222 69 M C 1.927 178.297 176.300 0.118 0.000 1.703 69 M CA 0.879 56.270 55.300 0.150 0.000 1.354 69 M CB -0.297 32.349 32.600 0.076 0.000 1.115 69 M HN -0.112 nan 8.290 nan 0.000 0.594 70 V N 1.687 121.616 119.914 0.024 0.000 2.261 70 V HA -0.312 3.808 4.120 -0.000 0.000 0.246 70 V C 2.434 178.539 176.094 0.019 0.000 1.047 70 V CA 2.106 64.408 62.300 0.003 0.000 1.015 70 V CB -0.788 30.983 31.823 -0.087 0.000 0.642 70 V HN 0.519 nan 8.190 nan 0.000 0.446 71 M N -0.594 118.987 119.600 -0.032 0.000 2.086 71 M HA -0.098 4.382 4.480 -0.000 0.000 0.261 71 M C -0.072 176.268 176.300 0.067 0.000 1.067 71 M CA 2.286 57.575 55.300 -0.018 0.000 1.116 71 M CB -1.373 31.180 32.600 -0.078 0.000 1.348 71 M HN 0.284 nan 8.290 nan 0.000 0.407 72 P HA -0.095 nan 4.420 nan 0.000 0.216 72 P C 1.379 178.814 177.300 0.226 0.000 1.153 72 P CA 1.272 64.559 63.100 0.312 0.000 0.848 72 P CB -0.076 31.976 31.700 0.586 0.000 0.787 73 I N -1.817 118.901 120.570 0.248 0.000 2.133 73 I HA -0.246 3.924 4.170 -0.000 0.000 0.238 73 I C 2.455 178.757 176.117 0.307 0.000 1.074 73 I CA 1.681 63.128 61.300 0.245 0.000 1.342 73 I CB -0.508 37.650 38.000 0.264 0.000 1.053 73 I HN -0.086 nan 8.210 nan 0.000 0.404 74 M N 0.018 119.787 119.600 0.282 0.000 2.067 74 M HA -0.190 4.290 4.480 -0.000 0.000 0.260 74 M C 2.334 178.749 176.300 0.192 0.000 1.069 74 M CA 2.117 57.598 55.300 0.302 0.000 1.117 74 M CB -0.310 32.373 32.600 0.138 0.000 1.334 74 M HN 0.186 nan 8.290 nan 0.000 0.407 75 I N -0.915 119.664 120.570 0.014 0.000 2.364 75 I HA -0.033 4.137 4.170 -0.000 0.000 0.241 75 I C 2.621 178.647 176.117 -0.151 0.000 1.082 75 I CA 1.109 62.325 61.300 -0.141 0.000 1.401 75 I CB -0.812 37.084 38.000 -0.173 0.000 1.126 75 I HN 0.298 nan 8.210 nan 0.000 0.429 76 G N 0.342 108.926 108.800 -0.361 0.000 2.408 76 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.217 76 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.217 76 G C 1.561 176.136 174.900 -0.541 0.000 1.150 76 G CA 0.861 45.310 45.100 -1.085 0.000 0.776 76 G HN 0.487 nan 8.290 nan 0.000 0.542 77 G N 0.458 109.168 108.800 -0.151 0.000 2.624 77 G HA2 0.072 4.032 3.960 -0.000 0.000 0.216 77 G HA3 0.072 4.032 3.960 -0.000 0.000 0.216 77 G C 1.447 176.327 174.900 -0.034 0.000 1.274 77 G CA 0.411 45.489 45.100 -0.037 0.000 0.856 77 G HN 0.231 nan 8.290 nan 0.000 0.555 78 F N 2.108 122.123 119.950 0.109 0.000 2.269 78 F HA 0.044 4.571 4.527 -0.000 0.000 0.301 78 F C 2.820 178.744 175.800 0.206 0.000 1.082 78 F CA 0.877 58.930 58.000 0.089 0.000 1.360 78 F CB -0.515 38.504 39.000 0.031 0.000 1.041 78 F HN 0.218 nan 8.300 nan 0.000 0.512 79 G N 0.015 109.030 108.800 0.358 0.000 2.453 79 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.215 79 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.215 79 G C 1.732 176.909 174.900 0.462 0.000 1.201 79 G CA 0.868 46.125 45.100 0.262 0.000 0.784 79 G HN 0.243 nan 8.290 nan 0.000 0.545 80 N N -0.131 118.809 118.700 0.400 0.000 2.120 80 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 80 N C 1.955 177.619 175.510 0.257 0.000 1.024 80 N CA 0.923 54.120 53.050 0.244 0.000 0.852 80 N CB -0.278 38.263 38.487 0.090 0.000 1.003 80 N HN 0.551 nan 8.380 nan 0.000 0.424 81 W N 1.567 122.894 121.300 0.046 0.000 2.354 81 W HA -0.022 4.638 4.660 -0.000 0.000 0.315 81 W C 2.174 178.748 176.519 0.092 0.000 1.206 81 W CA 0.709 58.045 57.345 -0.015 0.000 1.290 81 W CB -0.278 28.961 29.460 -0.369 0.000 1.152 81 W HN 0.003 nan 8.180 nan 0.000 0.489 82 L N -1.496 119.933 121.223 0.342 0.000 2.202 82 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 82 L C 2.122 179.095 176.870 0.172 0.000 1.083 82 L CA 0.221 55.156 54.840 0.159 0.000 0.790 82 L CB -1.300 40.669 42.059 -0.149 0.000 0.942 82 L HN -0.196 nan 8.230 nan 0.000 0.452 83 V N 0.926 120.975 119.914 0.226 0.000 2.231 83 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 83 V C -0.101 175.990 176.094 -0.005 0.000 1.058 83 V CA 2.404 64.789 62.300 0.141 0.000 1.022 83 V CB -1.540 30.407 31.823 0.206 0.000 0.640 83 V HN 0.323 nan 8.190 nan 0.000 0.445 84 P HA -0.103 nan 4.420 nan 0.000 0.217 84 P C 1.897 179.088 177.300 -0.181 0.000 1.150 84 P CA 1.310 64.239 63.100 -0.285 0.000 0.832 84 P CB -0.065 31.222 31.700 -0.687 0.000 0.787 85 L N -1.993 119.235 121.223 0.009 0.000 2.141 85 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 85 L C 2.335 179.260 176.870 0.091 0.000 1.094 85 L CA 1.447 56.401 54.840 0.189 0.000 0.763 85 L CB -0.771 41.459 42.059 0.285 0.000 0.908 85 L HN 0.025 nan 8.230 nan 0.000 0.437 86 M N -0.257 119.380 119.600 0.062 0.000 2.492 86 M HA -0.020 4.460 4.480 -0.000 0.000 0.262 86 M C 1.669 177.970 176.300 0.002 0.000 1.090 86 M CA 1.231 56.587 55.300 0.095 0.000 1.110 86 M CB 0.096 32.801 32.600 0.176 0.000 1.407 86 M HN 0.315 nan 8.290 nan 0.000 0.470 87 I N -4.015 116.483 120.570 -0.119 0.000 4.009 87 I HA 0.498 4.668 4.170 -0.000 0.000 0.331 87 I C 0.770 176.672 176.117 -0.359 0.000 1.462 87 I CA -0.205 60.987 61.300 -0.180 0.000 1.117 87 I CB -0.085 37.821 38.000 -0.157 0.000 1.091 87 I HN 0.274 nan 8.210 nan 0.000 0.410 88 G N 1.966 110.363 108.800 -0.670 0.000 2.273 88 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.280 88 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.280 88 G C 0.204 174.485 174.900 -1.032 0.000 1.047 88 G CA 0.188 44.436 45.100 -1.420 0.000 0.869 88 G HN 0.958 nan 8.290 nan 0.000 0.502 89 A N 0.118 122.541 122.820 -0.663 0.000 2.312 89 A HA 0.898 5.218 4.320 -0.000 0.000 0.328 89 A C -0.207 177.305 177.584 -0.120 0.000 1.158 89 A CA -0.992 50.854 52.037 -0.319 0.000 0.821 89 A CB 1.354 20.191 19.000 -0.272 0.000 1.170 89 A HN 0.103 nan 8.150 nan 0.000 0.490 90 P HA -0.024 nan 4.420 nan 0.000 0.221 90 P C 0.057 177.392 177.300 0.058 0.000 1.150 90 P CA 1.211 64.369 63.100 0.097 0.000 0.800 90 P CB 0.390 32.118 31.700 0.047 0.000 0.787 91 D N -3.044 117.305 120.400 -0.085 0.000 2.893 91 D HA 0.126 4.766 4.640 -0.000 0.000 0.346 91 D C -0.528 175.627 176.300 -0.242 0.000 1.402 91 D CA -0.493 53.428 54.000 -0.132 0.000 0.815 91 D CB 0.469 41.265 40.800 -0.008 0.000 1.403 91 D HN -0.333 nan 8.370 nan 0.000 0.484 92 M N 0.896 120.353 119.600 -0.238 0.000 2.114 92 M HA 0.338 4.818 4.480 -0.000 0.000 0.293 92 M C 1.349 177.457 176.300 -0.319 0.000 1.201 92 M CA 0.070 55.192 55.300 -0.298 0.000 1.107 92 M CB 0.127 32.544 32.600 -0.305 0.000 1.405 92 M HN 0.597 nan 8.290 nan 0.000 0.486 93 A N 0.778 123.309 122.820 -0.482 0.000 1.930 93 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 93 A C 0.441 177.541 177.584 -0.808 0.000 1.175 93 A CA 1.457 53.046 52.037 -0.747 0.000 0.627 93 A CB -0.226 18.090 19.000 -1.139 0.000 0.815 93 A HN 0.571 nan 8.150 nan 0.000 0.443 94 F N -0.457 119.437 119.950 -0.094 0.000 2.550 94 F HA 0.338 4.865 4.527 -0.000 0.000 0.348 94 F C -1.826 173.933 175.800 -0.068 0.000 1.219 94 F CA -2.854 55.104 58.000 -0.069 0.000 1.203 94 F CB 1.078 40.041 39.000 -0.062 0.000 1.436 94 F HN 0.054 nan 8.300 nan 0.000 0.541 95 P HA -0.171 nan 4.420 nan 0.000 0.220 95 P C 1.690 179.018 177.300 0.047 0.000 1.148 95 P CA 1.238 64.346 63.100 0.013 0.000 0.803 95 P CB 0.515 32.209 31.700 -0.009 0.000 0.782 96 R N -0.541 120.001 120.500 0.070 0.000 2.062 96 R HA 0.068 4.408 4.340 -0.000 0.000 0.226 96 R C 2.574 178.918 176.300 0.073 0.000 1.125 96 R CA 0.933 57.069 56.100 0.061 0.000 0.966 96 R CB -0.643 29.680 30.300 0.039 0.000 0.861 96 R HN 0.059 nan 8.270 nan 0.000 0.433 97 M N 0.887 120.536 119.600 0.082 0.000 2.213 97 M HA -0.196 4.284 4.480 -0.000 0.000 0.263 97 M C 1.658 178.012 176.300 0.091 0.000 1.062 97 M CA 1.701 57.043 55.300 0.069 0.000 1.105 97 M CB -0.173 32.457 32.600 0.049 0.000 1.385 97 M HN 0.083 nan 8.290 nan 0.000 0.417 98 N N 0.942 119.696 118.700 0.090 0.000 2.149 98 N HA -0.218 4.522 4.740 -0.000 0.000 0.188 98 N C 1.335 176.925 175.510 0.132 0.000 1.019 98 N CA 1.751 54.848 53.050 0.078 0.000 0.857 98 N CB -0.442 38.052 38.487 0.011 0.000 0.997 98 N HN 0.412 nan 8.380 nan 0.000 0.426 99 N N -0.065 118.717 118.700 0.136 0.000 2.223 99 N HA -0.095 4.645 4.740 -0.000 0.000 0.185 99 N C 1.694 177.369 175.510 0.276 0.000 1.016 99 N CA 0.866 54.044 53.050 0.213 0.000 0.863 99 N CB -0.204 38.426 38.487 0.239 0.000 0.983 99 N HN 0.375 nan 8.380 nan 0.000 0.429 100 M N -0.644 119.074 119.600 0.197 0.000 2.175 100 M HA -0.061 4.419 4.480 -0.000 0.000 0.264 100 M C 1.725 178.092 176.300 0.112 0.000 1.063 100 M CA 1.036 56.438 55.300 0.170 0.000 1.119 100 M CB -0.003 32.656 32.600 0.098 0.000 1.377 100 M HN 0.034 nan 8.290 nan 0.000 0.415 101 S N 0.437 116.209 115.700 0.120 0.000 2.370 101 S HA -0.175 4.295 4.470 -0.000 0.000 0.226 101 S C 1.470 176.098 174.600 0.047 0.000 1.033 101 S CA 1.609 59.889 58.200 0.133 0.000 1.011 101 S CB -0.554 62.782 63.200 0.227 0.000 0.852 101 S HN 0.630 nan 8.310 nan 0.000 0.457 102 F N 0.726 120.575 119.950 -0.169 0.000 2.098 102 F HA -0.003 4.524 4.527 -0.000 0.000 0.294 102 F C 1.639 177.090 175.800 -0.581 0.000 1.107 102 F CA 0.937 58.531 58.000 -0.676 0.000 1.234 102 F CB -0.708 37.706 39.000 -0.976 0.000 1.002 102 F HN 0.207 nan 8.300 nan 0.000 0.472 103 W N 0.633 121.673 121.300 -0.433 0.000 2.632 103 W HA -0.050 4.610 4.660 -0.000 0.000 0.248 103 W C 1.913 178.227 176.519 -0.341 0.000 1.259 103 W CA 0.375 57.469 57.345 -0.419 0.000 1.288 103 W CB -0.358 29.053 29.460 -0.081 0.000 1.136 103 W HN 0.075 nan 8.180 nan 0.000 0.640 104 L N -0.810 120.328 121.223 -0.141 0.000 2.418 104 L HA -0.134 4.206 4.340 -0.000 0.000 0.218 104 L C 2.061 178.857 176.870 -0.122 0.000 1.125 104 L CA 0.117 54.919 54.840 -0.062 0.000 0.835 104 L CB -0.395 41.656 42.059 -0.013 0.000 0.953 104 L HN 0.005 nan 8.230 nan 0.000 0.454 105 L N 0.282 121.279 121.223 -0.377 0.000 2.027 105 L HA -0.067 4.273 4.340 -0.000 0.000 0.206 105 L C -0.196 176.550 176.870 -0.206 0.000 1.074 105 L CA 2.076 56.678 54.840 -0.396 0.000 0.745 105 L CB -1.843 39.637 42.059 -0.966 0.000 0.898 105 L HN 0.067 nan 8.230 nan 0.000 0.433 106 P HA -0.093 nan 4.420 nan 0.000 0.215 106 P C -1.304 176.074 177.300 0.131 0.000 1.157 106 P CA 1.692 64.865 63.100 0.121 0.000 0.868 106 P CB -0.858 30.908 31.700 0.110 0.000 0.788 107 P HA -0.161 nan 4.420 nan 0.000 0.215 107 P C 1.906 179.269 177.300 0.105 0.000 1.157 107 P CA 1.760 64.906 63.100 0.078 0.000 0.868 107 P CB -0.496 31.238 31.700 0.056 0.000 0.788 108 S N -1.764 114.014 115.700 0.129 0.000 2.374 108 S HA -0.206 4.264 4.470 -0.000 0.000 0.227 108 S C 1.845 176.558 174.600 0.189 0.000 1.037 108 S CA 1.055 59.374 58.200 0.198 0.000 1.024 108 S CB -1.021 62.359 63.200 0.300 0.000 0.861 108 S HN -0.077 nan 8.310 nan 0.000 0.456 109 F N 1.939 121.793 119.950 -0.159 0.000 2.146 109 F HA 0.049 4.576 4.527 -0.000 0.000 0.298 109 F C 1.953 177.656 175.800 -0.162 0.000 1.096 109 F CA 0.963 58.677 58.000 -0.478 0.000 1.275 109 F CB -1.293 37.484 39.000 -0.372 0.000 1.008 109 F HN 0.304 nan 8.300 nan 0.000 0.480 110 L N 0.567 121.851 121.223 0.102 0.000 1.990 110 L HA -0.240 4.100 4.340 -0.000 0.000 0.213 110 L C 2.263 179.168 176.870 0.058 0.000 1.072 110 L CA 1.932 56.780 54.840 0.014 0.000 0.755 110 L CB -1.138 40.934 42.059 0.023 0.000 0.889 110 L HN 0.184 nan 8.230 nan 0.000 0.432 111 L N -1.281 119.998 121.223 0.094 0.000 2.079 111 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 111 L C 2.513 179.457 176.870 0.123 0.000 1.081 111 L CA 1.125 56.030 54.840 0.108 0.000 0.752 111 L CB -0.763 41.375 42.059 0.131 0.000 0.896 111 L HN 0.391 nan 8.230 nan 0.000 0.433 112 L N -0.199 121.120 121.223 0.160 0.000 2.056 112 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 112 L C 2.295 179.273 176.870 0.181 0.000 1.078 112 L CA 1.633 56.591 54.840 0.197 0.000 0.749 112 L CB -0.360 41.884 42.059 0.308 0.000 0.901 112 L HN 0.095 nan 8.230 nan 0.000 0.433 113 L N -0.673 120.631 121.223 0.136 0.000 2.083 113 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 113 L C 2.646 179.554 176.870 0.063 0.000 1.083 113 L CA 1.066 55.946 54.840 0.067 0.000 0.752 113 L CB -0.899 41.125 42.059 -0.057 0.000 0.899 113 L HN 0.373 nan 8.230 nan 0.000 0.433 114 A N 0.173 123.031 122.820 0.062 0.000 1.933 114 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 114 A C 2.538 180.167 177.584 0.076 0.000 1.175 114 A CA 1.892 53.965 52.037 0.060 0.000 0.628 114 A CB -0.664 18.372 19.000 0.060 0.000 0.814 114 A HN 0.523 nan 8.150 nan 0.000 0.444 115 S N 0.521 116.276 115.700 0.092 0.000 2.399 115 S HA -0.157 4.313 4.470 -0.000 0.000 0.231 115 S C 1.913 176.571 174.600 0.097 0.000 1.022 115 S CA 1.763 60.020 58.200 0.095 0.000 0.983 115 S CB -0.813 62.446 63.200 0.098 0.000 0.803 115 S HN 0.957 nan 8.310 nan 0.000 0.480 116 S N 0.212 115.973 115.700 0.102 0.000 2.593 116 S HA 0.286 4.756 4.470 -0.000 0.000 0.217 116 S C 1.617 176.263 174.600 0.077 0.000 0.966 116 S CA 0.078 58.337 58.200 0.098 0.000 0.914 116 S CB -0.384 62.880 63.200 0.106 0.000 0.776 116 S HN 0.523 nan 8.310 nan 0.000 0.523 117 M N 1.398 121.039 119.600 0.068 0.000 2.615 117 M HA 0.234 4.714 4.480 -0.000 0.000 0.262 117 M C 0.666 176.997 176.300 0.052 0.000 1.198 117 M CA 0.252 55.584 55.300 0.054 0.000 1.165 117 M CB 0.551 33.177 32.600 0.044 0.000 1.310 117 M HN 0.355 nan 8.290 nan 0.000 0.494 118 V N -0.681 119.267 119.914 0.058 0.000 2.785 118 V HA 0.350 4.470 4.120 -0.000 0.000 0.300 118 V C 0.688 176.817 176.094 0.060 0.000 1.062 118 V CA -0.995 61.338 62.300 0.055 0.000 1.029 118 V CB 0.888 32.746 31.823 0.058 0.000 1.024 118 V HN 0.478 nan 8.190 nan 0.000 0.477 119 E N 2.219 122.450 120.200 0.052 0.000 3.440 119 E HA -0.340 4.010 4.350 -0.000 0.000 0.328 119 E C 0.934 177.566 176.600 0.054 0.000 1.514 119 E CA 2.071 58.502 56.400 0.051 0.000 1.926 119 E CB -1.585 28.151 29.700 0.060 0.000 1.874 119 E HN 1.523 nan 8.360 nan 0.000 0.471 120 A N 1.372 124.228 122.820 0.061 0.000 2.500 120 A HA 0.511 4.831 4.320 -0.000 0.000 0.267 120 A C 0.914 178.559 177.584 0.101 0.000 1.290 120 A CA 1.457 53.532 52.037 0.065 0.000 0.928 120 A CB -0.174 18.849 19.000 0.039 0.000 1.066 120 A HN 1.362 nan 8.150 nan 0.000 0.516 121 G N -0.954 107.914 108.800 0.113 0.000 2.804 121 G HA2 0.265 4.225 3.960 -0.000 0.000 0.230 121 G HA3 0.265 4.225 3.960 -0.000 0.000 0.230 121 G C 0.153 175.164 174.900 0.185 0.000 1.386 121 G CA -0.276 44.902 45.100 0.130 0.000 0.875 121 G HN 1.763 nan 8.290 nan 0.000 0.557 122 A N 0.267 123.171 122.820 0.140 0.000 2.540 122 A HA 0.722 5.042 4.320 -0.000 0.000 0.340 122 A C 0.878 178.493 177.584 0.052 0.000 1.424 122 A CA 0.836 52.904 52.037 0.052 0.000 0.940 122 A CB 0.266 19.265 19.000 -0.001 0.000 1.149 122 A HN 2.289 nan 8.150 nan 0.000 0.505 123 G N 1.503 110.422 108.800 0.197 0.000 3.636 123 G HA2 0.347 4.307 3.960 -0.000 0.000 0.260 123 G HA3 0.347 4.307 3.960 -0.000 0.000 0.260 123 G C 0.759 175.702 174.900 0.072 0.000 1.014 123 G CA 0.555 45.746 45.100 0.152 0.000 1.797 123 G HN 0.768 nan 8.290 nan 0.000 0.637 124 T N -2.532 111.963 114.554 -0.099 0.000 3.001 124 T HA 0.488 4.838 4.350 -0.000 0.000 0.251 124 T C 1.176 175.792 174.700 -0.140 0.000 1.040 124 T CA 0.518 62.524 62.100 -0.156 0.000 0.985 124 T CB 0.546 69.242 68.868 -0.287 0.000 1.011 124 T HN 1.560 nan 8.240 nan 0.000 0.509 125 G N 1.547 110.285 108.800 -0.103 0.000 2.690 125 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.686 125 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.686 125 G C 0.211 174.990 174.900 -0.203 0.000 1.277 125 G CA -0.248 44.779 45.100 -0.121 0.000 0.799 125 G HN 0.600 nan 8.290 nan 0.000 0.613 126 W N 0.566 121.610 121.300 -0.427 0.000 2.611 126 W HA -0.007 4.653 4.660 -0.000 0.000 0.251 126 W C 1.446 177.748 176.519 -0.362 0.000 1.265 126 W CA 1.881 58.839 57.345 -0.644 0.000 1.295 126 W CB -1.434 27.585 29.460 -0.735 0.000 1.129 126 W HN 0.972 nan 8.180 nan 0.000 0.630 127 T N -0.378 113.557 114.554 -1.032 0.000 3.088 127 T HA -0.014 4.336 4.350 -0.000 0.000 0.259 127 T C 1.388 175.489 174.700 -0.998 0.000 1.122 127 T CA 0.603 61.766 62.100 -1.562 0.000 1.095 127 T CB -0.746 67.164 68.868 -1.598 0.000 0.930 127 T HN 0.282 nan 8.240 nan 0.000 0.508 128 V N 1.810 121.394 119.914 -0.550 0.000 5.404 128 V HA -0.221 3.899 4.120 -0.000 0.000 0.249 128 V C -0.683 175.136 176.094 -0.458 0.000 0.682 128 V CA 0.115 62.203 62.300 -0.355 0.000 0.608 128 V CB -2.233 29.496 31.823 -0.156 0.000 0.311 128 V HN 0.554 nan 8.190 nan 0.000 0.680 129 Y N 3.443 123.413 120.300 -0.551 0.000 2.411 129 Y HA 0.547 5.097 4.550 -0.000 0.000 0.333 129 Y C -1.101 174.474 175.900 -0.541 0.000 1.186 129 Y CA -2.424 55.280 58.100 -0.659 0.000 1.381 129 Y CB 0.445 38.717 38.460 -0.313 0.000 1.273 129 Y HN 0.364 nan 8.280 nan 0.000 0.546 130 P HA 0.300 nan 4.420 nan 0.000 0.285 130 P C -2.426 174.810 177.300 -0.107 0.000 1.269 130 P CA -2.072 60.881 63.100 -0.245 0.000 0.844 130 P CB 1.944 33.483 31.700 -0.267 0.000 1.094 131 P HA -0.003 nan 4.420 nan 0.000 0.225 131 P C 1.615 178.937 177.300 0.036 0.000 1.156 131 P CA 0.240 63.352 63.100 0.020 0.000 0.787 131 P CB -0.096 31.630 31.700 0.043 0.000 0.802 132 L N 0.311 121.561 121.223 0.045 0.000 2.129 132 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 132 L C 1.889 178.842 176.870 0.139 0.000 1.087 132 L CA 2.082 56.985 54.840 0.106 0.000 0.757 132 L CB -1.310 40.807 42.059 0.098 0.000 0.896 132 L HN -0.063 nan 8.230 nan 0.000 0.434 133 A N -1.137 121.670 122.820 -0.022 0.000 2.275 133 A HA 0.446 4.766 4.320 -0.000 0.000 0.212 133 A C 1.384 178.954 177.584 -0.024 0.000 1.201 133 A CA 0.300 52.274 52.037 -0.105 0.000 0.843 133 A CB -1.094 17.764 19.000 -0.238 0.000 0.873 133 A HN 0.464 nan 8.150 nan 0.000 0.492 134 G N 0.264 109.079 108.800 0.025 0.000 2.684 134 G HA2 0.230 4.190 3.960 -0.000 0.000 0.255 134 G HA3 0.230 4.190 3.960 -0.000 0.000 0.255 134 G C 0.583 175.525 174.900 0.071 0.000 1.219 134 G CA 0.158 45.287 45.100 0.048 0.000 0.901 134 G HN 0.484 nan 8.290 nan 0.000 0.548 135 N N -0.363 118.372 118.700 0.059 0.000 2.571 135 N HA -0.058 4.682 4.740 -0.000 0.000 0.189 135 N C 1.342 176.881 175.510 0.048 0.000 1.154 135 N CA 0.401 53.484 53.050 0.055 0.000 0.907 135 N CB 0.152 38.666 38.487 0.045 0.000 0.977 135 N HN 0.278 nan 8.380 nan 0.000 0.449 136 L N -0.082 121.169 121.223 0.046 0.000 2.276 136 L HA 0.328 4.668 4.340 -0.000 0.000 0.194 136 L C 2.010 178.891 176.870 0.019 0.000 1.099 136 L CA 1.292 56.150 54.840 0.030 0.000 0.800 136 L CB -1.220 40.857 42.059 0.030 0.000 0.994 136 L HN 0.267 nan 8.230 nan 0.000 0.475 137 A N -1.661 121.179 122.820 0.033 0.000 2.119 137 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 137 A C 0.284 177.813 177.584 -0.090 0.000 1.153 137 A CA 0.870 52.907 52.037 0.000 0.000 0.692 137 A CB -0.538 18.495 19.000 0.054 0.000 0.799 137 A HN 0.629 nan 8.150 nan 0.000 0.458 138 H N -1.077 118.000 119.070 0.011 0.000 2.429 138 H HA 0.554 5.110 4.556 -0.000 0.000 0.231 138 H C 0.038 175.373 175.328 0.012 0.000 1.416 138 H CA -0.008 56.047 56.048 0.012 0.000 1.443 138 H CB 0.551 30.315 29.762 0.004 0.000 1.591 138 H HN 0.416 nan 8.280 nan 0.000 0.507 139 A N 1.357 124.206 122.820 0.048 0.000 2.351 139 A HA 0.687 5.007 4.320 -0.000 0.000 0.257 139 A C 0.882 178.502 177.584 0.060 0.000 1.087 139 A CA 0.510 52.576 52.037 0.049 0.000 0.798 139 A CB 0.028 19.043 19.000 0.024 0.000 1.033 139 A HN 0.889 nan 8.150 nan 0.000 0.488 140 G N -1.448 107.387 108.800 0.058 0.000 2.541 140 G HA2 0.384 4.343 3.960 -0.000 0.000 0.686 140 G HA3 0.384 4.343 3.960 -0.000 0.000 0.686 140 G C 0.601 175.541 174.900 0.067 0.000 1.286 140 G CA 0.086 45.222 45.100 0.060 0.000 0.894 140 G HN 1.956 nan 8.290 nan 0.000 0.575 141 A N -0.095 122.766 122.820 0.069 0.000 2.121 141 A HA 0.279 4.599 4.320 -0.000 0.000 0.218 141 A C 2.690 180.317 177.584 0.071 0.000 1.154 141 A CA 2.548 54.629 52.037 0.075 0.000 0.679 141 A CB -0.611 18.439 19.000 0.083 0.000 0.795 141 A HN 1.589 nan 8.150 nan 0.000 0.458 142 S N -0.211 115.536 115.700 0.079 0.000 2.377 142 S HA -0.206 4.264 4.470 -0.000 0.000 0.224 142 S C 1.884 176.506 174.600 0.037 0.000 1.042 142 S CA 1.821 60.068 58.200 0.079 0.000 1.086 142 S CB -0.628 62.641 63.200 0.115 0.000 0.995 142 S HN 0.388 nan 8.310 nan 0.000 0.428 143 V N 2.428 122.349 119.914 0.011 0.000 2.407 143 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 143 V C 1.987 178.016 176.094 -0.108 0.000 1.055 143 V CA 1.772 64.033 62.300 -0.065 0.000 1.049 143 V CB -0.741 31.026 31.823 -0.093 0.000 0.662 143 V HN 0.401 nan 8.190 nan 0.000 0.455 144 D N -0.026 120.321 120.400 -0.089 0.000 2.178 144 D HA -0.103 4.537 4.640 -0.000 0.000 0.202 144 D C 2.121 178.321 176.300 -0.167 0.000 0.974 144 D CA 1.058 54.939 54.000 -0.198 0.000 0.841 144 D CB -0.107 40.639 40.800 -0.091 0.000 0.953 144 D HN 0.352 nan 8.370 nan 0.000 0.478 145 L N 0.493 121.730 121.223 0.022 0.000 2.093 145 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 145 L C 2.467 179.361 176.870 0.041 0.000 1.085 145 L CA 0.973 55.887 54.840 0.122 0.000 0.755 145 L CB -0.413 41.717 42.059 0.118 0.000 0.904 145 L HN -0.002 nan 8.230 nan 0.000 0.435 146 T N 0.099 114.629 114.554 -0.039 0.000 2.777 146 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 146 T C 1.917 176.468 174.700 -0.248 0.000 1.040 146 T CA 1.232 63.264 62.100 -0.112 0.000 1.141 146 T CB -0.133 68.692 68.868 -0.072 0.000 0.868 146 T HN 0.176 nan 8.240 nan 0.000 0.444 147 I N 0.286 120.672 120.570 -0.307 0.000 2.163 147 I HA -0.162 4.008 4.170 -0.000 0.000 0.243 147 I C 1.997 177.849 176.117 -0.442 0.000 1.085 147 I CA 1.404 62.427 61.300 -0.463 0.000 1.347 147 I CB -0.370 37.293 38.000 -0.561 0.000 1.044 147 I HN 0.172 nan 8.210 nan 0.000 0.408 148 F N 0.471 120.336 119.950 -0.143 0.000 2.234 148 F HA -0.204 4.323 4.527 -0.000 0.000 0.299 148 F C 2.944 178.718 175.800 -0.043 0.000 1.087 148 F CA 1.428 59.408 58.000 -0.033 0.000 1.340 148 F CB -1.185 37.836 39.000 0.035 0.000 1.031 148 F HN 0.048 nan 8.300 nan 0.000 0.500 149 S N 0.199 115.955 115.700 0.093 0.000 2.359 149 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 149 S C 2.128 176.695 174.600 -0.056 0.000 1.035 149 S CA 1.099 59.337 58.200 0.063 0.000 1.018 149 S CB -0.431 62.795 63.200 0.042 0.000 0.876 149 S HN 0.157 nan 8.310 nan 0.000 0.448 150 L N 1.258 122.315 121.223 -0.277 0.000 2.131 150 L HA 0.013 4.353 4.340 -0.000 0.000 0.210 150 L C 2.236 178.975 176.870 -0.219 0.000 1.092 150 L CA 1.824 56.399 54.840 -0.443 0.000 0.759 150 L CB -1.407 40.290 42.059 -0.603 0.000 0.903 150 L HN 0.515 nan 8.230 nan 0.000 0.435 151 H N -1.594 117.428 119.070 -0.079 0.000 2.326 151 H HA -0.083 4.473 4.556 -0.000 0.000 0.301 151 H C 2.215 177.540 175.328 -0.005 0.000 1.081 151 H CA 0.961 56.998 56.048 -0.018 0.000 1.334 151 H CB 0.138 29.956 29.762 0.093 0.000 1.385 151 H HN 0.172 nan 8.280 nan 0.000 0.504 152 L N 0.049 121.367 121.223 0.159 0.000 2.046 152 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 152 L C 2.830 179.744 176.870 0.074 0.000 1.077 152 L CA 0.937 55.838 54.840 0.101 0.000 0.747 152 L CB -0.622 41.498 42.059 0.102 0.000 0.896 152 L HN 0.354 nan 8.230 nan 0.000 0.432 153 A N 0.409 123.258 122.820 0.049 0.000 1.933 153 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 153 A C 2.396 180.013 177.584 0.056 0.000 1.175 153 A CA 1.680 53.742 52.037 0.041 0.000 0.628 153 A CB -1.072 17.883 19.000 -0.076 0.000 0.814 153 A HN 0.449 nan 8.150 nan 0.000 0.444 154 G N -0.513 108.302 108.800 0.025 0.000 2.404 154 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.215 154 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.215 154 G C 1.513 176.450 174.900 0.062 0.000 1.174 154 G CA 1.180 46.306 45.100 0.044 0.000 0.780 154 G HN 0.300 nan 8.290 nan 0.000 0.537 155 V N 1.007 120.955 119.914 0.057 0.000 2.332 155 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 155 V C 3.077 179.206 176.094 0.059 0.000 1.055 155 V CA 2.306 64.633 62.300 0.046 0.000 1.038 155 V CB -0.481 31.360 31.823 0.031 0.000 0.651 155 V HN 0.512 nan 8.190 nan 0.000 0.450 156 S N -0.206 115.536 115.700 0.069 0.000 2.353 156 S HA -0.224 4.246 4.470 -0.000 0.000 0.222 156 S C 2.171 176.842 174.600 0.118 0.000 1.035 156 S CA 2.289 60.541 58.200 0.087 0.000 1.025 156 S CB -0.342 62.905 63.200 0.079 0.000 0.902 156 S HN 0.613 nan 8.310 nan 0.000 0.440 157 S N 0.882 116.655 115.700 0.121 0.000 2.423 157 S HA 0.125 4.595 4.470 -0.000 0.000 0.231 157 S C 1.721 176.395 174.600 0.124 0.000 1.014 157 S CA 1.048 59.327 58.200 0.133 0.000 0.965 157 S CB -0.367 62.911 63.200 0.129 0.000 0.785 157 S HN 0.516 nan 8.310 nan 0.000 0.495 158 I N 0.766 121.396 120.570 0.101 0.000 2.202 158 I HA -0.140 4.030 4.170 -0.000 0.000 0.242 158 I C 1.887 178.057 176.117 0.088 0.000 1.091 158 I CA 0.782 62.136 61.300 0.090 0.000 1.368 158 I CB -0.187 37.852 38.000 0.066 0.000 1.058 158 I HN 0.220 nan 8.210 nan 0.000 0.410 159 L N 0.704 121.973 121.223 0.078 0.000 2.083 159 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 159 L C 2.489 179.418 176.870 0.099 0.000 1.083 159 L CA 1.984 56.865 54.840 0.068 0.000 0.752 159 L CB -1.565 40.527 42.059 0.055 0.000 0.899 159 L HN 0.237 nan 8.230 nan 0.000 0.433 160 G N -1.448 107.430 108.800 0.130 0.000 2.402 160 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 160 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 160 G C 1.703 176.746 174.900 0.239 0.000 1.162 160 G CA 0.766 45.966 45.100 0.166 0.000 0.777 160 G HN 0.499 nan 8.290 nan 0.000 0.539 161 A N 0.865 123.815 122.820 0.216 0.000 1.902 161 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 161 A C 2.391 180.083 177.584 0.180 0.000 1.181 161 A CA 1.307 53.471 52.037 0.213 0.000 0.623 161 A CB -0.374 18.714 19.000 0.146 0.000 0.818 161 A HN 0.381 nan 8.150 nan 0.000 0.443 162 I N -0.210 120.445 120.570 0.142 0.000 2.226 162 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 162 I C 2.456 178.682 176.117 0.183 0.000 1.100 162 I CA 1.298 62.684 61.300 0.144 0.000 1.374 162 I CB -0.447 37.621 38.000 0.114 0.000 1.057 162 I HN 0.352 nan 8.210 nan 0.000 0.413 163 N N 0.953 119.739 118.700 0.143 0.000 2.084 163 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 163 N C 1.857 177.283 175.510 -0.139 0.000 1.030 163 N CA 1.672 54.730 53.050 0.013 0.000 0.849 163 N CB -0.226 38.183 38.487 -0.129 0.000 1.012 163 N HN 0.144 nan 8.380 nan 0.000 0.423 164 F N 1.316 121.255 119.950 -0.018 0.000 2.134 164 F HA 0.008 4.535 4.527 -0.000 0.000 0.299 164 F C 2.341 178.091 175.800 -0.082 0.000 1.097 164 F CA 0.679 58.637 58.000 -0.069 0.000 1.264 164 F CB -0.429 38.529 39.000 -0.069 0.000 1.001 164 F HN 0.028 nan 8.300 nan 0.000 0.479 165 I N -0.999 119.656 120.570 0.140 0.000 2.202 165 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 165 I C 2.265 178.378 176.117 -0.005 0.000 1.091 165 I CA 1.515 62.847 61.300 0.053 0.000 1.368 165 I CB -0.883 37.155 38.000 0.063 0.000 1.058 165 I HN 0.076 nan 8.210 nan 0.000 0.410 166 T N 0.202 114.755 114.554 -0.002 0.000 2.684 166 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 166 T C 1.922 176.528 174.700 -0.156 0.000 1.036 166 T CA 2.144 64.207 62.100 -0.061 0.000 1.148 166 T CB -0.424 68.413 68.868 -0.053 0.000 0.863 166 T HN 0.361 nan 8.240 nan 0.000 0.436 167 T N 2.296 116.730 114.554 -0.201 0.000 2.622 167 T HA -0.039 4.311 4.350 -0.000 0.000 0.266 167 T C 1.981 176.582 174.700 -0.166 0.000 1.047 167 T CA 1.234 63.201 62.100 -0.222 0.000 1.159 167 T CB -0.525 68.201 68.868 -0.235 0.000 0.863 167 T HN 0.327 nan 8.240 nan 0.000 0.422 168 I N 0.241 120.739 120.570 -0.121 0.000 2.361 168 I HA -0.112 4.058 4.170 -0.000 0.000 0.251 168 I C 2.171 178.177 176.117 -0.185 0.000 1.133 168 I CA 1.228 62.439 61.300 -0.149 0.000 1.413 168 I CB -0.311 37.604 38.000 -0.142 0.000 1.073 168 I HN 0.252 nan 8.210 nan 0.000 0.424 169 I N 0.162 120.639 120.570 -0.155 0.000 2.585 169 I HA -0.161 4.009 4.170 -0.000 0.000 0.254 169 I C 2.005 178.044 176.117 -0.131 0.000 1.129 169 I CA 0.989 62.199 61.300 -0.149 0.000 1.455 169 I CB -0.096 37.839 38.000 -0.107 0.000 1.111 169 I HN 0.230 nan 8.210 nan 0.000 0.433 170 N N 0.504 119.127 118.700 -0.128 0.000 2.388 170 N HA 0.094 4.834 4.740 -0.000 0.000 0.176 170 N C 1.054 176.485 175.510 -0.131 0.000 1.062 170 N CA 0.582 53.561 53.050 -0.119 0.000 0.895 170 N CB 0.292 38.709 38.487 -0.116 0.000 1.018 170 N HN 0.103 nan 8.380 nan 0.000 0.456 171 M N 0.369 119.876 119.600 -0.155 0.000 2.866 171 M HA 0.230 4.710 4.480 -0.000 0.000 0.319 171 M C -0.522 175.680 176.300 -0.163 0.000 1.244 171 M CA -0.140 55.064 55.300 -0.160 0.000 0.974 171 M CB 0.636 33.124 32.600 -0.187 0.000 1.291 171 M HN -0.145 nan 8.290 nan 0.000 0.513 172 K N 0.772 121.083 120.400 -0.149 0.000 2.106 172 K HA 0.533 4.853 4.320 -0.000 0.000 0.246 172 K C -2.484 174.040 176.600 -0.126 0.000 0.987 172 K CA -1.781 54.417 56.287 -0.148 0.000 0.904 172 K CB 0.523 32.938 32.500 -0.141 0.000 1.071 172 K HN -0.134 nan 8.250 nan 0.000 0.453 173 P HA 0.023 nan 4.420 nan 0.000 0.265 173 P C -2.142 175.104 177.300 -0.090 0.000 1.193 173 P CA -0.877 62.164 63.100 -0.098 0.000 0.765 173 P CB 0.260 31.906 31.700 -0.090 0.000 0.823 174 P HA -0.255 nan 4.420 nan 0.000 0.218 174 P C 0.915 178.173 177.300 -0.070 0.000 1.150 174 P CA 1.852 64.908 63.100 -0.073 0.000 0.841 174 P CB -0.112 31.547 31.700 -0.069 0.000 0.784 175 A N -2.048 120.724 122.820 -0.080 0.000 2.195 175 A HA 0.121 4.441 4.320 -0.000 0.000 0.210 175 A C 1.214 178.768 177.584 -0.050 0.000 1.165 175 A CA -0.066 51.931 52.037 -0.068 0.000 0.806 175 A CB -0.800 18.146 19.000 -0.089 0.000 0.847 175 A HN 0.171 nan 8.150 nan 0.000 0.482 176 M N 2.195 121.761 119.600 -0.057 0.000 2.146 176 M HA 0.292 4.772 4.480 -0.000 0.000 0.352 176 M C 0.402 176.672 176.300 -0.050 0.000 1.343 176 M CA -0.230 55.044 55.300 -0.044 0.000 1.115 176 M CB 0.599 33.166 32.600 -0.055 0.000 1.657 176 M HN 0.396 nan 8.290 nan 0.000 0.471 177 S N 3.243 118.931 115.700 -0.021 0.000 2.681 177 S HA 0.190 4.660 4.470 -0.000 0.000 0.270 177 S C 0.616 175.154 174.600 -0.103 0.000 1.209 177 S CA -0.576 57.598 58.200 -0.043 0.000 0.988 177 S CB 1.385 64.611 63.200 0.043 0.000 1.006 177 S HN 0.841 nan 8.310 nan 0.000 0.558 178 Q N -0.422 119.219 119.800 -0.265 0.000 2.226 178 Q HA 0.004 4.344 4.340 -0.000 0.000 0.204 178 Q C 0.546 176.501 176.000 -0.076 0.000 0.975 178 Q CA 1.617 57.180 55.803 -0.400 0.000 0.866 178 Q CB -0.552 27.810 28.738 -0.628 0.000 0.915 178 Q HN 0.845 nan 8.270 nan 0.000 0.440 179 Y N -0.546 119.976 120.300 0.370 0.000 2.477 179 Y HA 0.134 4.684 4.550 -0.000 0.000 0.303 179 Y C 0.813 176.911 175.900 0.331 0.000 1.202 179 Y CA 0.321 58.738 58.100 0.528 0.000 1.282 179 Y CB 0.098 38.779 38.460 0.369 0.000 1.071 179 Y HN 0.164 nan 8.280 nan 0.000 0.510 180 Q N -0.791 119.175 119.800 0.276 0.000 2.127 180 Q HA 0.111 4.451 4.340 -0.000 0.000 0.222 180 Q C 0.360 176.439 176.000 0.132 0.000 0.794 180 Q CA -0.113 55.758 55.803 0.113 0.000 1.010 180 Q CB 0.890 29.657 28.738 0.050 0.000 1.170 180 Q HN 0.288 nan 8.270 nan 0.000 0.479 181 T N -1.211 113.461 114.554 0.198 0.000 2.909 181 T HA 0.473 4.823 4.350 -0.000 0.000 0.289 181 T C -2.548 172.380 174.700 0.379 0.000 1.005 181 T CA -1.995 60.188 62.100 0.139 0.000 1.084 181 T CB 1.271 70.074 68.868 -0.108 0.000 0.975 181 T HN -0.226 nan 8.240 nan 0.000 0.509 182 P HA 0.190 nan 4.420 nan 0.000 0.270 182 P C 1.106 178.800 177.300 0.657 0.000 1.223 182 P CA -0.534 62.880 63.100 0.523 0.000 0.785 182 P CB 0.447 32.483 31.700 0.559 0.000 0.923 183 L N 0.508 122.150 121.223 0.699 0.000 2.079 183 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 183 L C 2.180 179.388 176.870 0.563 0.000 1.081 183 L CA 1.487 56.684 54.840 0.594 0.000 0.752 183 L CB -0.665 41.666 42.059 0.454 0.000 0.896 183 L HN 0.375 nan 8.230 nan 0.000 0.433 184 F N 0.520 120.741 119.950 0.452 0.000 2.095 184 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 184 F C 2.283 178.145 175.800 0.103 0.000 1.104 184 F CA 1.594 59.656 58.000 0.104 0.000 1.232 184 F CB -0.398 38.427 39.000 -0.292 0.000 0.987 184 F HN -0.249 nan 8.300 nan 0.000 0.475 185 V N -0.917 119.068 119.914 0.119 0.000 2.332 185 V HA -0.349 3.771 4.120 -0.000 0.000 0.248 185 V C 2.150 178.194 176.094 -0.083 0.000 1.055 185 V CA 2.145 64.401 62.300 -0.074 0.000 1.038 185 V CB -1.162 30.662 31.823 0.002 0.000 0.651 185 V HN 0.518 nan 8.190 nan 0.000 0.450 186 W N 0.702 121.997 121.300 -0.008 0.000 2.358 186 W HA -0.217 4.443 4.660 -0.000 0.000 0.303 186 W C 3.051 179.528 176.519 -0.071 0.000 1.208 186 W CA 1.907 59.241 57.345 -0.018 0.000 1.274 186 W CB -0.424 29.051 29.460 0.025 0.000 1.138 186 W HN 0.359 nan 8.180 nan 0.000 0.515 187 S N 0.048 115.849 115.700 0.169 0.000 2.368 187 S HA -0.229 4.241 4.470 -0.000 0.000 0.225 187 S C 1.916 176.424 174.600 -0.155 0.000 1.030 187 S CA 1.633 59.855 58.200 0.037 0.000 0.999 187 S CB -1.133 62.100 63.200 0.055 0.000 0.844 187 S HN 0.211 nan 8.310 nan 0.000 0.459 188 V N 0.412 120.089 119.914 -0.396 0.000 2.871 188 V HA 0.151 4.271 4.120 -0.000 0.000 0.256 188 V C 2.168 178.090 176.094 -0.287 0.000 1.082 188 V CA 1.659 63.666 62.300 -0.488 0.000 1.105 188 V CB -0.579 30.728 31.823 -0.860 0.000 0.713 188 V HN 0.656 nan 8.190 nan 0.000 0.473 189 M N -0.106 119.402 119.600 -0.152 0.000 2.123 189 M HA -0.043 4.437 4.480 -0.000 0.000 0.263 189 M C 2.049 178.363 176.300 0.022 0.000 1.069 189 M CA 2.328 57.592 55.300 -0.060 0.000 1.133 189 M CB -0.199 32.354 32.600 -0.077 0.000 1.356 189 M HN 0.386 nan 8.290 nan 0.000 0.415 190 I N -0.154 120.470 120.570 0.089 0.000 2.264 190 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 190 I C 2.125 178.286 176.117 0.072 0.000 1.111 190 I CA 1.526 62.897 61.300 0.118 0.000 1.382 190 I CB -0.704 37.388 38.000 0.152 0.000 1.060 190 I HN 0.356 nan 8.210 nan 0.000 0.418 191 T N 0.745 115.302 114.554 0.006 0.000 2.708 191 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 191 T C 2.096 176.795 174.700 -0.003 0.000 1.037 191 T CA 1.500 63.585 62.100 -0.024 0.000 1.146 191 T CB -0.349 68.453 68.868 -0.111 0.000 0.865 191 T HN 0.493 nan 8.240 nan 0.000 0.435 192 A N 0.959 123.767 122.820 -0.020 0.000 1.940 192 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 192 A C 2.585 180.220 177.584 0.085 0.000 1.176 192 A CA 1.471 53.532 52.037 0.039 0.000 0.631 192 A CB -1.049 17.990 19.000 0.064 0.000 0.814 192 A HN 0.366 nan 8.150 nan 0.000 0.446 193 V N -0.427 119.542 119.914 0.092 0.000 2.295 193 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 193 V C 2.496 178.693 176.094 0.171 0.000 1.049 193 V CA 1.899 64.269 62.300 0.117 0.000 1.024 193 V CB -0.769 31.125 31.823 0.118 0.000 0.648 193 V HN 0.483 nan 8.190 nan 0.000 0.447 194 L N -0.810 120.531 121.223 0.196 0.000 2.046 194 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 194 L C 2.223 179.215 176.870 0.203 0.000 1.077 194 L CA 1.767 56.768 54.840 0.267 0.000 0.747 194 L CB -0.793 41.344 42.059 0.131 0.000 0.896 194 L HN 0.235 nan 8.230 nan 0.000 0.432 195 L N -1.706 119.596 121.223 0.131 0.000 2.056 195 L HA -0.219 4.121 4.340 -0.000 0.000 0.207 195 L C 2.445 179.410 176.870 0.159 0.000 1.078 195 L CA 0.722 55.642 54.840 0.133 0.000 0.749 195 L CB -0.496 41.624 42.059 0.102 0.000 0.901 195 L HN 0.239 nan 8.230 nan 0.000 0.433 196 L N -0.411 120.899 121.223 0.145 0.000 2.079 196 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 196 L C 2.168 179.121 176.870 0.139 0.000 1.081 196 L CA 1.776 56.692 54.840 0.126 0.000 0.752 196 L CB -0.177 41.944 42.059 0.104 0.000 0.896 196 L HN 0.145 nan 8.230 nan 0.000 0.433 197 L N -1.664 119.672 121.223 0.189 0.000 2.307 197 L HA 0.020 4.360 4.340 -0.000 0.000 0.211 197 L C 2.418 179.490 176.870 0.336 0.000 1.099 197 L CA 0.909 55.877 54.840 0.212 0.000 0.816 197 L CB -0.495 41.637 42.059 0.122 0.000 0.952 197 L HN 0.425 nan 8.230 nan 0.000 0.455 198 S N -0.662 115.254 115.700 0.361 0.000 2.441 198 S HA -0.032 4.438 4.470 -0.000 0.000 0.224 198 S C 1.905 176.702 174.600 0.328 0.000 1.043 198 S CA -0.006 58.403 58.200 0.348 0.000 0.948 198 S CB -0.309 62.989 63.200 0.162 0.000 0.810 198 S HN 0.104 nan 8.310 nan 0.000 0.504 199 L N 2.930 124.310 121.223 0.262 0.000 2.079 199 L HA 0.107 4.447 4.340 -0.000 0.000 0.210 199 L C -0.929 175.952 176.870 0.019 0.000 1.081 199 L CA 1.344 56.250 54.840 0.110 0.000 0.752 199 L CB -1.900 40.225 42.059 0.110 0.000 0.896 199 L HN 0.253 nan 8.230 nan 0.000 0.433 200 P HA -0.077 nan 4.420 nan 0.000 0.219 200 P C 2.069 179.374 177.300 0.009 0.000 1.150 200 P CA 0.838 63.956 63.100 0.031 0.000 0.814 200 P CB 0.129 31.856 31.700 0.045 0.000 0.787 201 V N -0.324 119.621 119.914 0.052 0.000 2.358 201 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 201 V C 2.365 178.421 176.094 -0.063 0.000 1.047 201 V CA 1.468 63.779 62.300 0.017 0.000 1.035 201 V CB -1.268 30.635 31.823 0.134 0.000 0.658 201 V HN 0.060 nan 8.190 nan 0.000 0.452 202 L N 1.262 122.405 121.223 -0.134 0.000 1.989 202 L HA -0.113 4.227 4.340 -0.000 0.000 0.211 202 L C 2.525 179.273 176.870 -0.204 0.000 1.071 202 L CA 2.473 57.113 54.840 -0.334 0.000 0.749 202 L CB -1.010 40.555 42.059 -0.824 0.000 0.890 202 L HN 0.205 nan 8.230 nan 0.000 0.431 203 A N -0.361 122.384 122.820 -0.126 0.000 1.948 203 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 203 A C 2.451 180.061 177.584 0.043 0.000 1.177 203 A CA 2.316 54.366 52.037 0.022 0.000 0.636 203 A CB -1.325 17.711 19.000 0.059 0.000 0.815 203 A HN 0.671 nan 8.150 nan 0.000 0.449 204 A N -0.642 122.163 122.820 -0.024 0.000 1.877 204 A HA 0.148 4.468 4.320 -0.000 0.000 0.216 204 A C 2.483 180.036 177.584 -0.051 0.000 1.186 204 A CA 1.970 53.978 52.037 -0.048 0.000 0.620 204 A CB -1.497 17.457 19.000 -0.077 0.000 0.822 204 A HN 0.788 nan 8.150 nan 0.000 0.443 205 G N 0.858 109.622 108.800 -0.059 0.000 2.459 205 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 205 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 205 G C 1.500 176.460 174.900 0.100 0.000 1.183 205 G CA 1.358 46.449 45.100 -0.016 0.000 0.776 205 G HN 0.899 nan 8.290 nan 0.000 0.552 206 I N -1.744 118.844 120.570 0.029 0.000 3.111 206 I HA 0.065 4.235 4.170 -0.000 0.000 0.272 206 I C 2.159 178.292 176.117 0.027 0.000 1.268 206 I CA 1.358 62.673 61.300 0.026 0.000 1.467 206 I CB -0.432 37.475 38.000 -0.156 0.000 1.087 206 I HN -0.066 nan 8.210 nan 0.000 0.467 207 T N 1.340 115.946 114.554 0.086 0.000 2.896 207 T HA 0.071 4.421 4.350 -0.000 0.000 0.263 207 T C 1.905 176.636 174.700 0.052 0.000 1.050 207 T CA 1.412 63.580 62.100 0.114 0.000 1.140 207 T CB -0.109 68.821 68.868 0.103 0.000 0.877 207 T HN 0.321 nan 8.240 nan 0.000 0.457 208 M N 0.423 120.016 119.600 -0.012 0.000 2.175 208 M HA 0.012 4.492 4.480 -0.000 0.000 0.264 208 M C 2.218 178.655 176.300 0.228 0.000 1.063 208 M CA 1.152 56.374 55.300 -0.130 0.000 1.119 208 M CB -0.406 31.863 32.600 -0.553 0.000 1.377 208 M HN 0.170 nan 8.290 nan 0.000 0.415 209 L N 0.553 122.016 121.223 0.400 0.000 2.083 209 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 209 L C 2.135 179.094 176.870 0.148 0.000 1.083 209 L CA 1.524 56.575 54.840 0.352 0.000 0.752 209 L CB -0.612 41.553 42.059 0.177 0.000 0.899 209 L HN 0.209 nan 8.230 nan 0.000 0.433 210 L N -0.819 120.445 121.223 0.069 0.000 2.056 210 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 210 L C 2.544 179.452 176.870 0.064 0.000 1.078 210 L CA 2.375 57.217 54.840 0.004 0.000 0.749 210 L CB -0.904 41.124 42.059 -0.050 0.000 0.901 210 L HN 0.581 nan 8.230 nan 0.000 0.433 211 T N -4.587 110.035 114.554 0.114 0.000 2.904 211 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 211 T C 1.641 176.411 174.700 0.117 0.000 1.059 211 T CA 1.120 63.298 62.100 0.130 0.000 1.137 211 T CB -0.604 68.379 68.868 0.191 0.000 0.879 211 T HN 0.253 nan 8.240 nan 0.000 0.467 212 D N 1.648 122.137 120.400 0.148 0.000 2.144 212 D HA -0.023 4.617 4.640 -0.000 0.000 0.199 212 D C 2.451 178.797 176.300 0.076 0.000 0.984 212 D CA 0.938 55.003 54.000 0.108 0.000 0.834 212 D CB -0.158 40.742 40.800 0.166 0.000 0.955 212 D HN 0.505 nan 8.370 nan 0.000 0.465 213 R N -0.171 120.373 120.500 0.073 0.000 2.153 213 R HA 0.145 4.485 4.340 -0.000 0.000 0.218 213 R C 1.121 177.448 176.300 0.044 0.000 1.072 213 R CA 0.723 56.853 56.100 0.050 0.000 0.990 213 R CB 0.096 30.415 30.300 0.032 0.000 0.889 213 R HN 0.186 nan 8.270 nan 0.000 0.452 214 N N -0.731 117.999 118.700 0.049 0.000 2.168 214 N HA 0.059 4.799 4.740 -0.000 0.000 0.216 214 N C 0.105 175.643 175.510 0.047 0.000 1.259 214 N CA 0.157 53.237 53.050 0.050 0.000 0.902 214 N CB 0.988 39.512 38.487 0.061 0.000 1.079 214 N HN 0.024 nan 8.380 nan 0.000 0.507 215 L N 1.241 122.492 121.223 0.046 0.000 3.069 215 L HA 0.334 4.674 4.340 -0.000 0.000 0.271 215 L C 0.048 176.925 176.870 0.012 0.000 1.201 215 L CA 0.126 54.987 54.840 0.035 0.000 1.015 215 L CB -0.447 41.642 42.059 0.050 0.000 1.371 215 L HN -0.011 nan 8.230 nan 0.000 0.574 216 N N 0.035 118.739 118.700 0.006 0.000 2.735 216 N HA -0.158 4.582 4.740 -0.000 0.000 0.248 216 N C 0.368 175.843 175.510 -0.060 0.000 1.083 216 N CA 1.224 54.263 53.050 -0.018 0.000 0.703 216 N CB -1.438 37.039 38.487 -0.018 0.000 1.005 216 N HN 0.532 nan 8.380 nan 0.000 0.550 217 T N -2.816 111.694 114.554 -0.074 0.000 2.881 217 T HA 0.618 4.968 4.350 -0.000 0.000 0.278 217 T C 1.105 175.670 174.700 -0.224 0.000 0.982 217 T CA -0.032 61.941 62.100 -0.211 0.000 0.989 217 T CB 1.892 70.615 68.868 -0.241 0.000 1.058 217 T HN 0.231 nan 8.240 nan 0.000 0.529 218 T N -1.443 112.879 114.554 -0.386 0.000 3.741 218 T HA 0.336 4.686 4.350 -0.000 0.000 0.242 218 T C 0.333 174.837 174.700 -0.326 0.000 1.042 218 T CA -0.655 61.295 62.100 -0.251 0.000 1.278 218 T CB -0.878 67.894 68.868 -0.160 0.000 0.994 218 T HN 0.388 nan 8.240 nan 0.000 0.594 219 F N 0.754 120.481 119.950 -0.372 0.000 2.171 219 F HA 0.178 4.705 4.527 -0.000 0.000 0.300 219 F C 1.300 176.763 175.800 -0.562 0.000 1.090 219 F CA 0.983 58.609 58.000 -0.623 0.000 1.293 219 F CB -0.339 37.941 39.000 -1.201 0.000 1.013 219 F HN 0.393 nan 8.300 nan 0.000 0.486 220 F N -1.678 118.402 119.950 0.217 0.000 2.682 220 F HA 0.214 4.741 4.527 -0.000 0.000 0.308 220 F C 0.274 176.112 175.800 0.064 0.000 1.093 220 F CA -0.848 57.230 58.000 0.130 0.000 1.244 220 F CB -0.307 38.761 39.000 0.112 0.000 1.052 220 F HN -0.277 nan 8.300 nan 0.000 0.573 221 D N 1.776 122.257 120.400 0.136 0.000 2.373 221 D HA 0.234 4.874 4.640 -0.000 0.000 0.227 221 D C -1.965 174.363 176.300 0.047 0.000 1.091 221 D CA -2.478 51.571 54.000 0.081 0.000 0.840 221 D CB 1.959 42.784 40.800 0.042 0.000 1.060 221 D HN -0.086 nan 8.370 nan 0.000 0.502 222 P HA -0.124 nan 4.420 nan 0.000 0.219 222 P C 1.036 178.348 177.300 0.021 0.000 1.146 222 P CA 1.153 64.278 63.100 0.042 0.000 0.808 222 P CB 0.229 31.957 31.700 0.046 0.000 0.779 223 A N -0.124 122.706 122.820 0.016 0.000 1.948 223 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 223 A C 2.253 179.831 177.584 -0.010 0.000 1.177 223 A CA 2.117 54.157 52.037 0.005 0.000 0.636 223 A CB -1.690 17.312 19.000 0.005 0.000 0.815 223 A HN 0.340 nan 8.150 nan 0.000 0.449 224 G N -3.003 105.783 108.800 -0.023 0.000 3.233 224 G HA2 0.413 4.373 3.960 -0.000 0.000 0.234 224 G HA3 0.413 4.373 3.960 -0.000 0.000 0.234 224 G C 1.025 175.896 174.900 -0.049 0.000 1.137 224 G CA 0.558 45.629 45.100 -0.049 0.000 0.763 224 G HN 1.643 nan 8.290 nan 0.000 0.549 225 G N -1.003 107.785 108.800 -0.021 0.000 2.175 225 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.244 225 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.244 225 G C 0.879 175.781 174.900 0.004 0.000 0.982 225 G CA 0.201 45.296 45.100 -0.009 0.000 0.641 225 G HN 0.999 nan 8.290 nan 0.000 0.527 226 G N -0.729 108.070 108.800 -0.002 0.000 2.583 226 G HA2 0.452 4.412 3.960 -0.000 0.000 0.275 226 G HA3 0.452 4.412 3.960 -0.000 0.000 0.275 226 G C -0.536 174.428 174.900 0.108 0.000 1.342 226 G CA 0.724 45.844 45.100 0.034 0.000 1.030 226 G HN 0.570 nan 8.290 nan 0.000 0.520 227 D N -1.492 119.028 120.400 0.201 0.000 2.764 227 D HA 0.300 4.940 4.640 -0.000 0.000 0.227 227 D C -2.123 174.359 176.300 0.304 0.000 1.347 227 D CA -1.526 52.600 54.000 0.211 0.000 0.953 227 D CB 2.033 42.945 40.800 0.187 0.000 1.476 227 D HN -0.056 nan 8.370 nan 0.000 0.585 228 P HA -0.048 nan 4.420 nan 0.000 0.219 228 P C 1.618 178.912 177.300 -0.009 0.000 1.146 228 P CA 0.436 63.591 63.100 0.092 0.000 0.808 228 P CB 0.366 32.078 31.700 0.020 0.000 0.779 229 I N -1.323 119.267 120.570 0.032 0.000 2.394 229 I HA -0.143 4.027 4.170 -0.000 0.000 0.251 229 I C 2.117 178.261 176.117 0.046 0.000 1.136 229 I CA 1.006 62.287 61.300 -0.031 0.000 1.425 229 I CB -1.484 36.521 38.000 0.008 0.000 1.079 229 I HN 0.015 nan 8.210 nan 0.000 0.425 230 L N 0.701 122.057 121.223 0.221 0.000 2.042 230 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 230 L C 2.613 179.606 176.870 0.205 0.000 1.076 230 L CA 1.865 56.902 54.840 0.328 0.000 0.749 230 L CB -1.134 41.206 42.059 0.468 0.000 0.893 230 L HN 0.245 nan 8.230 nan 0.000 0.432 231 Y N 0.138 120.317 120.300 -0.202 0.000 2.165 231 Y HA -0.311 4.239 4.550 -0.000 0.000 0.286 231 Y C 2.583 178.329 175.900 -0.257 0.000 1.155 231 Y CA 2.240 59.984 58.100 -0.593 0.000 1.164 231 Y CB -0.257 37.518 38.460 -1.141 0.000 0.978 231 Y HN 0.379 nan 8.280 nan 0.000 0.513 232 Q N -1.077 118.632 119.800 -0.151 0.000 2.096 232 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 232 Q C 2.083 178.143 176.000 0.100 0.000 0.982 232 Q CA 1.596 57.342 55.803 -0.095 0.000 0.850 232 Q CB -0.331 28.275 28.738 -0.220 0.000 0.901 232 Q HN 0.609 nan 8.270 nan 0.000 0.422 233 H N 0.443 119.589 119.070 0.126 0.000 2.321 233 H HA -0.082 4.474 4.556 -0.000 0.000 0.300 233 H C 2.198 177.507 175.328 -0.032 0.000 1.087 233 H CA 1.219 57.379 56.048 0.186 0.000 1.319 233 H CB -0.199 29.683 29.762 0.200 0.000 1.379 233 H HN 0.214 nan 8.280 nan 0.000 0.501 234 L N -0.691 120.534 121.223 0.002 0.000 2.056 234 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 234 L C 2.528 179.299 176.870 -0.165 0.000 1.078 234 L CA 1.031 55.795 54.840 -0.126 0.000 0.749 234 L CB -0.587 41.371 42.059 -0.168 0.000 0.901 234 L HN 0.092 nan 8.230 nan 0.000 0.433 235 F N -0.022 119.635 119.950 -0.489 0.000 2.075 235 F HA -0.233 4.294 4.527 -0.000 0.000 0.297 235 F C 2.024 177.640 175.800 -0.306 0.000 1.113 235 F CA 1.539 59.213 58.000 -0.543 0.000 1.218 235 F CB -0.411 38.054 39.000 -0.891 0.000 0.984 235 F HN -0.037 nan 8.300 nan 0.000 0.472 236 W N -1.258 120.064 121.300 0.037 0.000 2.595 236 W HA -0.101 4.559 4.660 -0.000 0.000 0.257 236 W C 2.115 178.573 176.519 -0.102 0.000 1.267 236 W CA 0.330 57.652 57.345 -0.039 0.000 1.300 236 W CB -0.546 29.014 29.460 0.166 0.000 1.120 236 W HN 0.086 nan 8.180 nan 0.000 0.618 237 F N -0.189 119.664 119.950 -0.162 0.000 2.293 237 F HA -0.167 4.360 4.527 -0.000 0.000 0.300 237 F C 2.069 177.766 175.800 -0.171 0.000 1.086 237 F CA 1.354 59.141 58.000 -0.354 0.000 1.375 237 F CB -0.478 38.192 39.000 -0.549 0.000 1.045 237 F HN -0.029 nan 8.300 nan 0.000 0.516 238 F N 0.134 119.941 119.950 -0.238 0.000 2.262 238 F HA 0.236 4.763 4.527 -0.000 0.000 0.292 238 F C 2.258 177.834 175.800 -0.373 0.000 1.081 238 F CA 1.317 59.128 58.000 -0.315 0.000 1.355 238 F CB -1.192 37.585 39.000 -0.370 0.000 1.069 238 F HN -0.122 nan 8.300 nan 0.000 0.506 239 G N -0.436 107.825 108.800 -0.898 0.000 2.469 239 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.219 239 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.219 239 G C 1.492 176.153 174.900 -0.399 0.000 1.150 239 G CA 1.468 46.085 45.100 -0.805 0.000 0.763 239 G HN 0.560 nan 8.290 nan 0.000 0.561 240 H N 1.643 120.625 119.070 -0.146 0.000 2.299 240 H HA 0.019 4.575 4.556 -0.000 0.000 0.302 240 H C 0.301 175.540 175.328 -0.148 0.000 1.078 240 H CA 1.544 57.579 56.048 -0.020 0.000 1.323 240 H CB -0.691 29.141 29.762 0.118 0.000 1.381 240 H HN 0.253 nan 8.280 nan 0.000 0.498 241 P HA -0.193 nan 4.420 nan 0.000 0.216 241 P C 1.314 178.339 177.300 -0.459 0.000 1.157 241 P CA 2.176 64.969 63.100 -0.511 0.000 0.880 241 P CB -0.014 31.188 31.700 -0.831 0.000 0.791 242 E N -0.132 119.662 120.200 -0.677 0.000 2.097 242 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 242 E C 1.700 178.014 176.600 -0.476 0.000 1.000 242 E CA 1.728 57.756 56.400 -0.620 0.000 0.804 242 E CB -1.194 27.941 29.700 -0.941 0.000 0.740 242 E HN 0.140 nan 8.360 nan 0.000 0.454 243 V N -1.387 118.202 119.914 -0.542 0.000 2.515 243 V HA -0.173 3.947 4.120 -0.000 0.000 0.250 243 V C 1.861 177.590 176.094 -0.608 0.000 1.058 243 V CA 1.654 63.615 62.300 -0.566 0.000 1.064 243 V CB -1.027 30.441 31.823 -0.593 0.000 0.675 243 V HN 0.240 nan 8.190 nan 0.000 0.461 244 Y N 0.300 120.407 120.300 -0.322 0.000 2.395 244 Y HA 0.241 4.791 4.550 -0.000 0.000 0.293 244 Y C 2.332 178.104 175.900 -0.213 0.000 1.123 244 Y CA 1.313 59.295 58.100 -0.198 0.000 1.227 244 Y CB -0.347 38.056 38.460 -0.094 0.000 1.012 244 Y HN 0.187 nan 8.280 nan 0.000 0.552 245 I N -0.483 120.001 120.570 -0.143 0.000 2.493 245 I HA -0.268 3.902 4.170 -0.000 0.000 0.254 245 I C 1.648 177.655 176.117 -0.183 0.000 1.160 245 I CA 1.197 62.411 61.300 -0.142 0.000 1.445 245 I CB -0.214 37.691 38.000 -0.157 0.000 1.086 245 I HN 0.226 nan 8.210 nan 0.000 0.433 246 L N -0.507 120.571 121.223 -0.242 0.000 2.418 246 L HA -0.070 4.270 4.340 -0.000 0.000 0.218 246 L C 2.103 178.847 176.870 -0.211 0.000 1.125 246 L CA 0.606 55.306 54.840 -0.233 0.000 0.835 246 L CB 0.055 41.941 42.059 -0.289 0.000 0.953 246 L HN 0.228 nan 8.230 nan 0.000 0.454 247 I N -1.316 119.093 120.570 -0.269 0.000 3.939 247 I HA -0.010 4.160 4.170 -0.000 0.000 0.313 247 I C 1.905 177.706 176.117 -0.527 0.000 1.274 247 I CA 0.703 61.781 61.300 -0.370 0.000 1.301 247 I CB 0.300 38.018 38.000 -0.470 0.000 1.105 247 I HN 0.002 nan 8.210 nan 0.000 0.427 248 L N 1.306 122.314 121.223 -0.357 0.000 2.012 248 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 248 L C -0.423 176.424 176.870 -0.038 0.000 1.073 248 L CA 1.700 56.427 54.840 -0.188 0.000 0.748 248 L CB -1.867 40.178 42.059 -0.023 0.000 0.891 248 L HN 0.167 nan 8.230 nan 0.000 0.431 249 P HA -0.142 nan 4.420 nan 0.000 0.218 249 P C 1.484 178.862 177.300 0.131 0.000 1.148 249 P CA 1.672 64.779 63.100 0.012 0.000 0.822 249 P CB -0.156 31.535 31.700 -0.014 0.000 0.784 250 G N -1.420 107.393 108.800 0.021 0.000 2.408 250 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 250 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 250 G C 1.199 176.126 174.900 0.045 0.000 1.150 250 G CA 0.279 45.375 45.100 -0.007 0.000 0.776 250 G HN 0.102 nan 8.290 nan 0.000 0.542 251 F N 2.004 121.990 119.950 0.060 0.000 2.102 251 F HA 0.013 4.540 4.527 -0.000 0.000 0.298 251 F C 2.848 178.795 175.800 0.245 0.000 1.105 251 F CA 0.472 58.597 58.000 0.209 0.000 1.239 251 F CB -1.136 38.031 39.000 0.277 0.000 0.991 251 F HN 0.184 nan 8.300 nan 0.000 0.474 252 G N -0.270 108.799 108.800 0.448 0.000 2.480 252 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.216 252 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.216 252 G C 1.801 176.967 174.900 0.443 0.000 1.200 252 G CA 1.050 46.437 45.100 0.479 0.000 0.782 252 G HN 0.251 nan 8.290 nan 0.000 0.554 253 M N 0.092 119.866 119.600 0.289 0.000 2.080 253 M HA -0.035 4.445 4.480 -0.000 0.000 0.260 253 M C 2.492 178.808 176.300 0.027 0.000 1.068 253 M CA 1.109 56.469 55.300 0.099 0.000 1.109 253 M CB -0.320 32.244 32.600 -0.060 0.000 1.342 253 M HN 0.116 nan 8.290 nan 0.000 0.405 254 I N -0.284 120.180 120.570 -0.177 0.000 2.335 254 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 254 I C 2.392 178.347 176.117 -0.270 0.000 1.129 254 I CA 1.443 62.472 61.300 -0.451 0.000 1.402 254 I CB -1.405 35.934 38.000 -1.102 0.000 1.069 254 I HN 0.249 nan 8.210 nan 0.000 0.424 255 S N -0.668 115.092 115.700 0.099 0.000 2.368 255 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 255 S C 1.894 176.656 174.600 0.270 0.000 1.029 255 S CA 0.854 59.261 58.200 0.344 0.000 0.988 255 S CB -0.369 63.167 63.200 0.561 0.000 0.838 255 S HN 0.514 nan 8.310 nan 0.000 0.462 256 H N 0.342 119.516 119.070 0.173 0.000 2.389 256 H HA 0.062 4.618 4.556 -0.000 0.000 0.299 256 H C 2.069 177.389 175.328 -0.014 0.000 1.081 256 H CA 1.285 57.432 56.048 0.165 0.000 1.345 256 H CB -0.084 29.855 29.762 0.295 0.000 1.393 256 H HN 0.346 nan 8.280 nan 0.000 0.520 257 I N 0.079 120.643 120.570 -0.010 0.000 2.233 257 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 257 I C 2.514 178.643 176.117 0.020 0.000 1.093 257 I CA 0.607 61.822 61.300 -0.141 0.000 1.380 257 I CB -0.136 37.742 38.000 -0.203 0.000 1.067 257 I HN 0.001 nan 8.210 nan 0.000 0.413 258 V N 0.541 120.438 119.914 -0.028 0.000 2.407 258 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 258 V C 2.507 178.632 176.094 0.053 0.000 1.055 258 V CA 2.399 64.697 62.300 -0.005 0.000 1.049 258 V CB -0.787 31.004 31.823 -0.053 0.000 0.662 258 V HN 0.473 nan 8.190 nan 0.000 0.455 259 T N -1.254 113.346 114.554 0.077 0.000 2.737 259 T HA -0.218 4.132 4.350 -0.000 0.000 0.265 259 T C 1.719 176.429 174.700 0.017 0.000 1.038 259 T CA 2.028 64.171 62.100 0.071 0.000 1.144 259 T CB -0.343 68.575 68.868 0.084 0.000 0.866 259 T HN 0.551 nan 8.240 nan 0.000 0.434 260 Y N 0.782 120.981 120.300 -0.169 0.000 2.097 260 Y HA -0.209 4.341 4.550 -0.000 0.000 0.282 260 Y C 1.787 177.429 175.900 -0.430 0.000 1.152 260 Y CA 1.397 59.292 58.100 -0.342 0.000 1.136 260 Y CB -0.423 37.699 38.460 -0.563 0.000 0.975 260 Y HN 0.260 nan 8.280 nan 0.000 0.498 261 Y N -0.893 119.415 120.300 0.013 0.000 2.632 261 Y HA -0.015 4.535 4.550 -0.000 0.000 0.301 261 Y C 2.098 177.902 175.900 -0.160 0.000 1.172 261 Y CA 0.909 58.953 58.100 -0.095 0.000 1.328 261 Y CB -0.161 38.233 38.460 -0.110 0.000 1.016 261 Y HN 0.045 nan 8.280 nan 0.000 0.529 262 S N -1.328 114.338 115.700 -0.058 0.000 2.524 262 S HA 0.240 4.710 4.470 -0.000 0.000 0.215 262 S C 1.596 176.136 174.600 -0.101 0.000 0.986 262 S CA 0.480 58.639 58.200 -0.069 0.000 0.911 262 S CB 0.251 63.435 63.200 -0.027 0.000 0.805 262 S HN 0.591 nan 8.310 nan 0.000 0.501 263 G N 2.591 111.287 108.800 -0.173 0.000 2.198 263 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.257 263 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.257 263 G C -0.186 174.634 174.900 -0.133 0.000 1.042 263 G CA 0.014 44.992 45.100 -0.202 0.000 0.791 263 G HN 0.302 nan 8.290 nan 0.000 0.502 264 K N -0.580 119.764 120.400 -0.094 0.000 2.095 264 K HA 0.500 4.820 4.320 -0.000 0.000 0.252 264 K C 0.946 177.526 176.600 -0.033 0.000 0.977 264 K CA -0.905 55.361 56.287 -0.035 0.000 0.900 264 K CB 1.161 33.673 32.500 0.021 0.000 1.060 264 K HN -0.050 nan 8.250 nan 0.000 0.449 265 K N 0.973 121.368 120.400 -0.008 0.000 2.186 265 K HA -0.027 4.293 4.320 -0.000 0.000 0.202 265 K C 0.545 177.160 176.600 0.024 0.000 1.052 265 K CA 1.057 57.345 56.287 0.001 0.000 0.965 265 K CB 0.318 32.818 32.500 0.000 0.000 0.746 265 K HN 0.802 nan 8.250 nan 0.000 0.457 266 E N 0.397 120.621 120.200 0.040 0.000 2.412 266 E HA 0.366 4.716 4.350 -0.000 0.000 0.279 266 E C -2.917 173.753 176.600 0.116 0.000 0.984 266 E CA -2.082 54.359 56.400 0.068 0.000 0.788 266 E CB 2.078 31.803 29.700 0.043 0.000 1.277 266 E HN -0.259 nan 8.360 nan 0.000 0.455 267 P HA 0.082 nan 4.420 nan 0.000 0.274 267 P C -0.722 176.724 177.300 0.243 0.000 1.231 267 P CA -0.385 62.855 63.100 0.233 0.000 0.790 267 P CB 0.478 32.339 31.700 0.267 0.000 0.951 268 F N 1.523 121.555 119.950 0.137 0.000 2.529 268 F HA 0.369 4.896 4.527 -0.000 0.000 0.365 268 F C 1.390 177.248 175.800 0.096 0.000 1.102 268 F CA 1.240 59.306 58.000 0.109 0.000 1.271 268 F CB -0.123 38.940 39.000 0.105 0.000 1.120 268 F HN 0.703 nan 8.300 nan 0.000 0.579 269 G N 5.687 114.108 108.800 -0.632 0.000 2.338 269 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.296 269 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.296 269 G C 0.565 175.442 174.900 -0.039 0.000 1.040 269 G CA 0.680 45.571 45.100 -0.349 0.000 1.004 269 G HN 1.086 nan 8.290 nan 0.000 0.509 270 Y N -0.040 120.204 120.300 -0.094 0.000 2.096 270 Y HA -0.321 4.229 4.550 -0.000 0.000 0.278 270 Y C 2.598 178.477 175.900 -0.036 0.000 1.192 270 Y CA 2.819 60.910 58.100 -0.016 0.000 1.143 270 Y CB -0.067 38.403 38.460 0.017 0.000 0.963 270 Y HN 0.409 nan 8.280 nan 0.000 0.505 271 M N -0.594 119.032 119.600 0.044 0.000 2.349 271 M HA -0.006 4.474 4.480 -0.000 0.000 0.266 271 M C 2.387 178.623 176.300 -0.106 0.000 1.076 271 M CA 1.233 56.480 55.300 -0.089 0.000 1.126 271 M CB -1.602 30.986 32.600 -0.019 0.000 1.392 271 M HN 0.479 nan 8.290 nan 0.000 0.440 272 G N -0.286 108.471 108.800 -0.070 0.000 2.421 272 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 272 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 272 G C 1.522 176.467 174.900 0.074 0.000 1.143 272 G CA 0.445 45.549 45.100 0.006 0.000 0.784 272 G HN 0.268 nan 8.290 nan 0.000 0.541 273 M N 0.222 119.779 119.600 -0.071 0.000 2.132 273 M HA 0.094 4.574 4.480 -0.000 0.000 0.263 273 M C 2.539 178.703 176.300 -0.227 0.000 1.065 273 M CA 0.859 56.074 55.300 -0.141 0.000 1.122 273 M CB -0.183 32.325 32.600 -0.152 0.000 1.365 273 M HN 0.044 nan 8.290 nan 0.000 0.411 274 V N -1.416 118.260 119.914 -0.397 0.000 2.307 274 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 274 V C 1.959 177.861 176.094 -0.320 0.000 1.045 274 V CA 1.910 63.847 62.300 -0.604 0.000 1.024 274 V CB -0.989 30.262 31.823 -0.955 0.000 0.651 274 V HN 0.772 nan 8.190 nan 0.000 0.449 275 W N 1.344 122.449 121.300 -0.326 0.000 2.318 275 W HA -0.292 4.368 4.660 -0.000 0.000 0.313 275 W C 2.442 178.876 176.519 -0.142 0.000 1.221 275 W CA 2.539 59.763 57.345 -0.203 0.000 1.266 275 W CB -0.514 28.852 29.460 -0.157 0.000 1.150 275 W HN 0.195 nan 8.180 nan 0.000 0.496 276 A N 0.426 123.177 122.820 -0.116 0.000 1.908 276 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 276 A C 2.052 179.452 177.584 -0.308 0.000 1.181 276 A CA 2.424 54.244 52.037 -0.362 0.000 0.627 276 A CB -0.956 17.977 19.000 -0.111 0.000 0.818 276 A HN 0.467 nan 8.150 nan 0.000 0.445 277 M N -1.203 118.290 119.600 -0.178 0.000 2.175 277 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 277 M C 2.375 178.625 176.300 -0.083 0.000 1.063 277 M CA 1.408 56.676 55.300 -0.054 0.000 1.119 277 M CB -0.445 32.165 32.600 0.016 0.000 1.377 277 M HN 0.415 nan 8.290 nan 0.000 0.415 278 M N -0.678 118.824 119.600 -0.163 0.000 2.117 278 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 278 M C 2.296 178.521 176.300 -0.124 0.000 1.065 278 M CA 1.442 56.679 55.300 -0.104 0.000 1.114 278 M CB -0.703 31.821 32.600 -0.127 0.000 1.361 278 M HN 0.209 nan 8.290 nan 0.000 0.408 279 S N 1.079 116.569 115.700 -0.350 0.000 2.356 279 S HA -0.081 4.389 4.470 -0.000 0.000 0.223 279 S C 1.874 176.386 174.600 -0.147 0.000 1.032 279 S CA 1.176 59.173 58.200 -0.338 0.000 1.005 279 S CB -0.368 62.349 63.200 -0.805 0.000 0.867 279 S HN 0.365 nan 8.310 nan 0.000 0.449 280 I N 1.359 121.820 120.570 -0.183 0.000 2.226 280 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 280 I C 2.694 178.718 176.117 -0.155 0.000 1.100 280 I CA 1.205 62.407 61.300 -0.163 0.000 1.374 280 I CB -0.923 37.053 38.000 -0.040 0.000 1.057 280 I HN 0.381 nan 8.210 nan 0.000 0.413 281 G N 0.702 109.490 108.800 -0.021 0.000 2.446 281 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.217 281 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.217 281 G C 1.580 176.585 174.900 0.176 0.000 1.168 281 G CA 0.713 45.859 45.100 0.076 0.000 0.771 281 G HN 0.345 nan 8.290 nan 0.000 0.551 282 F N 1.200 121.171 119.950 0.036 0.000 2.060 282 F HA 0.072 4.599 4.527 -0.000 0.000 0.295 282 F C 2.478 178.335 175.800 0.096 0.000 1.120 282 F CA 1.243 59.292 58.000 0.082 0.000 1.205 282 F CB -0.401 38.600 39.000 0.001 0.000 0.986 282 F HN 0.025 nan 8.300 nan 0.000 0.470 283 L N 0.268 121.427 121.223 -0.106 0.000 2.187 283 L HA -0.159 4.181 4.340 -0.000 0.000 0.213 283 L C 2.557 179.279 176.870 -0.245 0.000 1.100 283 L CA 1.122 55.833 54.840 -0.216 0.000 0.765 283 L CB -1.463 40.545 42.059 -0.085 0.000 0.904 283 L HN 0.413 nan 8.230 nan 0.000 0.437 284 G N -1.263 107.385 108.800 -0.254 0.000 2.708 284 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.210 284 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.210 284 G C 1.083 175.874 174.900 -0.182 0.000 1.141 284 G CA 0.115 45.071 45.100 -0.241 0.000 0.788 284 G HN 0.292 nan 8.290 nan 0.000 0.531 285 F N -0.106 119.728 119.950 -0.194 0.000 2.678 285 F HA 0.331 4.858 4.527 -0.000 0.000 0.305 285 F C 1.594 177.382 175.800 -0.019 0.000 1.090 285 F CA -0.342 57.532 58.000 -0.209 0.000 1.272 285 F CB 0.589 39.432 39.000 -0.262 0.000 1.060 285 F HN 0.206 nan 8.300 nan 0.000 0.576 286 I N -1.958 118.702 120.570 0.149 0.000 3.658 286 I HA 0.272 4.442 4.170 -0.000 0.000 0.328 286 I C 0.238 176.459 176.117 0.172 0.000 1.567 286 I CA -0.068 61.405 61.300 0.289 0.000 1.078 286 I CB 0.255 38.312 38.000 0.095 0.000 1.267 286 I HN -0.112 nan 8.210 nan 0.000 0.495 287 V N -3.383 116.626 119.914 0.157 0.000 3.382 287 V HA 0.209 4.329 4.120 -0.000 0.000 0.296 287 V C 1.764 177.691 176.094 -0.278 0.000 1.529 287 V CA -0.018 62.272 62.300 -0.018 0.000 1.048 287 V CB -0.865 30.796 31.823 -0.270 0.000 0.878 287 V HN 0.714 nan 8.190 nan 0.000 0.442 288 W N 2.694 123.947 121.300 -0.079 0.000 2.290 288 W HA -0.211 4.449 4.660 -0.000 0.000 0.311 288 W C 1.895 178.186 176.519 -0.379 0.000 1.238 288 W CA 2.426 59.683 57.345 -0.146 0.000 1.255 288 W CB -1.203 28.328 29.460 0.119 0.000 1.145 288 W HN 0.253 nan 8.180 nan 0.000 0.506 289 A N 1.652 123.609 122.820 -1.439 0.000 2.259 289 A HA -0.196 4.124 4.320 -0.000 0.000 0.212 289 A C 1.750 178.611 177.584 -1.206 0.000 1.178 289 A CA 1.285 52.499 52.037 -1.371 0.000 0.734 289 A CB -1.940 15.796 19.000 -2.107 0.000 0.774 289 A HN 0.829 nan 8.150 nan 0.000 0.481 290 H N -3.338 115.111 119.070 -1.034 0.000 2.563 290 H HA 0.047 4.603 4.556 -0.000 0.000 0.272 290 H C 0.710 175.169 175.328 -1.450 0.000 1.005 290 H CA 0.730 55.836 56.048 -1.569 0.000 1.171 290 H CB -0.289 29.019 29.762 -0.756 0.000 1.351 290 H HN 0.682 nan 8.280 nan 0.000 0.602 291 H N 0.464 119.085 119.070 -0.748 0.000 2.529 291 H HA 0.244 4.800 4.556 -0.000 0.000 0.277 291 H C 0.351 175.301 175.328 -0.631 0.000 1.004 291 H CA 0.155 55.734 56.048 -0.781 0.000 1.167 291 H CB 0.570 29.397 29.762 -1.559 0.000 1.445 291 H HN 0.463 nan 8.280 nan 0.000 0.554 292 M N -0.216 119.028 119.600 -0.593 0.000 3.262 292 M HA 0.107 4.587 4.480 -0.000 0.000 0.450 292 M C -0.074 176.063 176.300 -0.271 0.000 1.524 292 M CA -0.165 54.916 55.300 -0.364 0.000 0.770 292 M CB 0.537 32.974 32.600 -0.271 0.000 1.459 292 M HN -0.071 nan 8.290 nan 0.000 0.517 293 F N 0.618 120.384 119.950 -0.308 0.000 2.604 293 F HA -0.005 4.522 4.527 -0.000 0.000 0.298 293 F C 2.409 178.098 175.800 -0.184 0.000 1.131 293 F CA 1.181 59.048 58.000 -0.222 0.000 1.457 293 F CB -0.535 38.349 39.000 -0.192 0.000 1.095 293 F HN 0.263 nan 8.300 nan 0.000 0.574 294 T N -4.878 109.629 114.554 -0.077 0.000 3.129 294 T HA 0.195 4.545 4.350 -0.000 0.000 0.267 294 T C 1.514 176.209 174.700 -0.007 0.000 1.018 294 T CA 0.273 62.355 62.100 -0.029 0.000 0.903 294 T CB -0.288 68.569 68.868 -0.018 0.000 1.067 294 T HN -0.010 nan 8.240 nan 0.000 0.549 295 V N 1.112 121.011 119.914 -0.025 0.000 3.129 295 V HA 0.393 4.513 4.120 -0.000 0.000 0.259 295 V C 1.805 177.909 176.094 0.017 0.000 1.116 295 V CA 1.356 63.650 62.300 -0.011 0.000 1.127 295 V CB -0.241 31.549 31.823 -0.055 0.000 0.742 295 V HN 0.901 nan 8.190 nan 0.000 0.474 296 G N 0.154 108.972 108.800 0.031 0.000 2.173 296 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.174 296 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.174 296 G C -0.113 174.823 174.900 0.059 0.000 1.025 296 G CA -0.045 45.081 45.100 0.043 0.000 0.706 296 G HN 0.347 nan 8.290 nan 0.000 0.499 297 M N 0.784 120.427 119.600 0.072 0.000 2.291 297 M HA 0.318 4.798 4.480 -0.000 0.000 0.324 297 M C 0.258 176.613 176.300 0.091 0.000 1.148 297 M CA -0.740 54.620 55.300 0.099 0.000 1.104 297 M CB 0.373 33.049 32.600 0.126 0.000 1.483 297 M HN 0.078 nan 8.290 nan 0.000 0.467 298 D N 1.107 121.565 120.400 0.096 0.000 2.478 298 D HA -0.070 4.570 4.640 -0.000 0.000 0.234 298 D C 0.924 177.269 176.300 0.076 0.000 1.154 298 D CA 0.080 54.126 54.000 0.078 0.000 0.874 298 D CB 0.967 41.814 40.800 0.079 0.000 1.198 298 D HN 0.391 nan 8.370 nan 0.000 0.455 299 V N 1.999 121.942 119.914 0.049 0.000 2.343 299 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 299 V C 1.450 177.572 176.094 0.047 0.000 1.051 299 V CA 1.836 64.155 62.300 0.031 0.000 1.036 299 V CB -0.119 31.711 31.823 0.011 0.000 0.654 299 V HN 0.424 nan 8.190 nan 0.000 0.451 300 D N -0.116 120.318 120.400 0.056 0.000 2.123 300 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 300 D C 2.246 178.618 176.300 0.119 0.000 0.992 300 D CA 2.134 56.174 54.000 0.067 0.000 0.833 300 D CB -0.441 40.390 40.800 0.051 0.000 0.954 300 D HN 0.655 nan 8.370 nan 0.000 0.455 301 T N -0.794 113.854 114.554 0.156 0.000 2.951 301 T HA -0.074 4.276 4.350 -0.000 0.000 0.268 301 T C 1.961 176.900 174.700 0.398 0.000 1.073 301 T CA 0.703 62.968 62.100 0.274 0.000 1.134 301 T CB 0.112 69.153 68.868 0.289 0.000 0.884 301 T HN -0.027 nan 8.240 nan 0.000 0.479 302 R N 0.379 121.027 120.500 0.246 0.000 2.115 302 R HA 0.317 4.657 4.340 -0.000 0.000 0.226 302 R C 2.864 179.214 176.300 0.083 0.000 1.100 302 R CA 1.116 57.335 56.100 0.200 0.000 0.980 302 R CB -0.462 29.844 30.300 0.010 0.000 0.875 302 R HN 0.526 nan 8.270 nan 0.000 0.445 303 A N -0.012 122.843 122.820 0.059 0.000 1.929 303 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 303 A C 1.897 179.496 177.584 0.025 0.000 1.176 303 A CA 1.038 53.079 52.037 0.007 0.000 0.628 303 A CB -0.611 18.397 19.000 0.012 0.000 0.816 303 A HN 0.470 nan 8.150 nan 0.000 0.444 304 Y N -0.373 119.926 120.300 -0.003 0.000 2.114 304 Y HA -0.207 4.343 4.550 -0.000 0.000 0.284 304 Y C 1.854 177.688 175.900 -0.109 0.000 1.143 304 Y CA 1.850 59.890 58.100 -0.101 0.000 1.135 304 Y CB -0.728 37.606 38.460 -0.211 0.000 0.980 304 Y HN 0.236 nan 8.280 nan 0.000 0.499 305 F N 0.508 120.260 119.950 -0.330 0.000 2.250 305 F HA -0.191 4.336 4.527 -0.000 0.000 0.301 305 F C 2.804 178.526 175.800 -0.130 0.000 1.077 305 F CA 1.965 59.763 58.000 -0.337 0.000 1.348 305 F CB -0.916 38.060 39.000 -0.040 0.000 1.040 305 F HN 0.301 nan 8.300 nan 0.000 0.509 306 T N -3.270 111.348 114.554 0.107 0.000 2.896 306 T HA -0.097 4.253 4.350 -0.000 0.000 0.263 306 T C 2.242 176.909 174.700 -0.054 0.000 1.050 306 T CA 1.450 63.587 62.100 0.063 0.000 1.140 306 T CB -0.556 68.261 68.868 -0.084 0.000 0.877 306 T HN 0.117 nan 8.240 nan 0.000 0.457 307 S N 1.790 117.410 115.700 -0.134 0.000 2.353 307 S HA 0.052 4.522 4.470 -0.000 0.000 0.222 307 S C 2.609 177.100 174.600 -0.181 0.000 1.035 307 S CA 1.258 59.376 58.200 -0.136 0.000 1.025 307 S CB -0.982 62.142 63.200 -0.127 0.000 0.902 307 S HN 0.792 nan 8.310 nan 0.000 0.440 308 A N 1.190 123.783 122.820 -0.378 0.000 1.902 308 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 308 A C 2.325 179.808 177.584 -0.168 0.000 1.181 308 A CA 2.091 53.919 52.037 -0.348 0.000 0.623 308 A CB -1.395 17.191 19.000 -0.690 0.000 0.818 308 A HN 0.479 nan 8.150 nan 0.000 0.443 309 T N 0.082 114.576 114.554 -0.099 0.000 2.803 309 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 309 T C 1.851 176.556 174.700 0.008 0.000 1.052 309 T CA 1.746 63.857 62.100 0.019 0.000 1.136 309 T CB -0.315 68.661 68.868 0.180 0.000 0.864 309 T HN 0.456 nan 8.240 nan 0.000 0.467 310 M N 0.808 120.401 119.600 -0.011 0.000 2.254 310 M HA 0.073 4.553 4.480 -0.000 0.000 0.265 310 M C 2.215 178.522 176.300 0.013 0.000 1.066 310 M CA 1.146 56.448 55.300 0.002 0.000 1.123 310 M CB -0.509 32.087 32.600 -0.007 0.000 1.388 310 M HN 0.352 nan 8.290 nan 0.000 0.425 311 I N -1.878 118.693 120.570 0.001 0.000 2.567 311 I HA -0.198 3.972 4.170 -0.000 0.000 0.257 311 I C 1.928 178.061 176.117 0.027 0.000 1.184 311 I CA 1.115 62.429 61.300 0.023 0.000 1.451 311 I CB -0.795 37.222 38.000 0.029 0.000 1.089 311 I HN 0.226 nan 8.210 nan 0.000 0.441 312 I N 2.169 122.746 120.570 0.012 0.000 2.567 312 I HA -0.228 3.942 4.170 -0.000 0.000 0.257 312 I C 2.872 179.025 176.117 0.061 0.000 1.184 312 I CA 1.220 62.527 61.300 0.012 0.000 1.451 312 I CB -0.387 37.619 38.000 0.009 0.000 1.089 312 I HN 0.350 nan 8.210 nan 0.000 0.441 313 A N 1.003 123.865 122.820 0.071 0.000 2.014 313 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 313 A C 2.220 179.859 177.584 0.092 0.000 1.163 313 A CA 0.923 53.012 52.037 0.087 0.000 0.652 313 A CB -0.413 18.630 19.000 0.071 0.000 0.808 313 A HN 0.337 nan 8.150 nan 0.000 0.449 314 I N 0.569 121.196 120.570 0.096 0.000 2.090 314 I HA -0.155 4.015 4.170 -0.000 0.000 0.236 314 I C -0.308 175.903 176.117 0.156 0.000 1.064 314 I CA 1.549 62.934 61.300 0.141 0.000 1.324 314 I CB -1.247 36.849 38.000 0.160 0.000 1.044 314 I HN 0.220 nan 8.210 nan 0.000 0.399 315 P HA -0.128 nan 4.420 nan 0.000 0.220 315 P C 1.484 178.771 177.300 -0.022 0.000 1.148 315 P CA 1.624 64.705 63.100 -0.032 0.000 0.803 315 P CB -0.283 31.185 31.700 -0.386 0.000 0.782 316 T N -0.607 113.955 114.554 0.012 0.000 2.904 316 T HA -0.025 4.325 4.350 -0.000 0.000 0.267 316 T C 2.136 176.797 174.700 -0.065 0.000 1.059 316 T CA 1.566 63.670 62.100 0.008 0.000 1.137 316 T CB -0.972 68.014 68.868 0.197 0.000 0.879 316 T HN 0.190 nan 8.240 nan 0.000 0.467 317 G N 1.738 110.538 108.800 -0.001 0.000 2.402 317 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 317 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 317 G C 1.845 176.722 174.900 -0.039 0.000 1.162 317 G CA 1.075 46.142 45.100 -0.055 0.000 0.777 317 G HN 0.525 nan 8.290 nan 0.000 0.539 318 V N -0.277 119.698 119.914 0.101 0.000 2.469 318 V HA -0.092 4.028 4.120 -0.000 0.000 0.251 318 V C 2.378 178.412 176.094 -0.099 0.000 1.064 318 V CA 2.546 64.923 62.300 0.128 0.000 1.066 318 V CB -0.461 31.495 31.823 0.222 0.000 0.667 318 V HN 0.355 nan 8.190 nan 0.000 0.461 319 K N 0.145 120.347 120.400 -0.329 0.000 2.001 319 K HA -0.019 4.301 4.320 -0.000 0.000 0.208 319 K C 2.243 178.243 176.600 -0.999 0.000 1.048 319 K CA 1.588 57.399 56.287 -0.793 0.000 0.932 319 K CB -0.480 31.359 32.500 -1.101 0.000 0.715 319 K HN 0.473 nan 8.250 nan 0.000 0.437 320 V N 1.183 120.694 119.914 -0.673 0.000 2.287 320 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 320 V C 2.089 178.020 176.094 -0.271 0.000 1.053 320 V CA 1.799 63.882 62.300 -0.362 0.000 1.027 320 V CB -0.555 31.081 31.823 -0.313 0.000 0.646 320 V HN 0.153 nan 8.190 nan 0.000 0.447 321 F N 0.480 120.400 119.950 -0.050 0.000 2.234 321 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 321 F C 2.625 178.365 175.800 -0.101 0.000 1.087 321 F CA 1.292 59.264 58.000 -0.045 0.000 1.340 321 F CB -1.054 37.917 39.000 -0.048 0.000 1.031 321 F HN 0.051 nan 8.300 nan 0.000 0.500 322 S N -1.196 114.510 115.700 0.009 0.000 2.387 322 S HA -0.155 4.315 4.470 -0.000 0.000 0.226 322 S C 1.843 176.507 174.600 0.106 0.000 1.026 322 S CA 0.726 58.956 58.200 0.050 0.000 0.972 322 S CB -0.353 62.891 63.200 0.073 0.000 0.814 322 S HN 0.380 nan 8.310 nan 0.000 0.477 323 W N 1.283 122.631 121.300 0.081 0.000 2.358 323 W HA 0.054 4.714 4.660 -0.000 0.000 0.303 323 W C 1.774 178.330 176.519 0.061 0.000 1.208 323 W CA 0.170 57.559 57.345 0.074 0.000 1.274 323 W CB -1.158 28.340 29.460 0.065 0.000 1.138 323 W HN 0.286 nan 8.180 nan 0.000 0.515 324 L N 0.490 121.887 121.223 0.289 0.000 2.056 324 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 324 L C 2.616 179.530 176.870 0.073 0.000 1.078 324 L CA 2.150 57.099 54.840 0.181 0.000 0.749 324 L CB -1.832 40.345 42.059 0.197 0.000 0.901 324 L HN -0.078 nan 8.230 nan 0.000 0.433 325 A N -1.746 121.038 122.820 -0.060 0.000 2.019 325 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 325 A C 2.337 179.904 177.584 -0.029 0.000 1.164 325 A CA 2.019 53.882 52.037 -0.290 0.000 0.644 325 A CB -0.788 17.574 19.000 -1.064 0.000 0.805 325 A HN 0.432 nan 8.150 nan 0.000 0.449 326 T N 0.360 114.991 114.554 0.128 0.000 2.812 326 T HA -0.026 4.324 4.350 -0.000 0.000 0.264 326 T C 1.754 176.543 174.700 0.148 0.000 1.042 326 T CA 1.309 63.537 62.100 0.213 0.000 1.140 326 T CB -0.328 68.700 68.868 0.267 0.000 0.870 326 T HN 0.396 nan 8.240 nan 0.000 0.445 327 L N 0.233 121.531 121.223 0.126 0.000 2.131 327 L HA -0.028 4.312 4.340 -0.000 0.000 0.210 327 L C 1.302 178.230 176.870 0.096 0.000 1.092 327 L CA 0.499 55.384 54.840 0.076 0.000 0.759 327 L CB -0.767 41.326 42.059 0.058 0.000 0.903 327 L HN 0.315 nan 8.230 nan 0.000 0.435 328 H N 0.894 119.969 119.070 0.008 0.000 3.216 328 H HA 0.132 4.688 4.556 -0.000 0.000 0.283 328 H C 1.184 176.519 175.328 0.012 0.000 0.921 328 H CA 0.349 56.397 56.048 0.001 0.000 1.419 328 H CB 0.109 29.857 29.762 -0.024 0.000 1.460 328 H HN 0.312 nan 8.280 nan 0.000 0.553 329 G N 2.948 111.572 108.800 -0.294 0.000 2.162 329 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.260 329 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.260 329 G C 0.759 175.588 174.900 -0.118 0.000 0.976 329 G CA 0.445 45.377 45.100 -0.279 0.000 0.655 329 G HN 1.029 nan 8.290 nan 0.000 0.533 330 G N -0.426 108.335 108.800 -0.065 0.000 2.572 330 G HA2 0.426 4.386 3.960 -0.000 0.000 0.261 330 G HA3 0.426 4.386 3.960 -0.000 0.000 0.261 330 G C 0.018 174.884 174.900 -0.056 0.000 1.197 330 G CA 0.241 45.309 45.100 -0.052 0.000 0.870 330 G HN 0.673 nan 8.290 nan 0.000 0.548 331 N N 0.075 118.738 118.700 -0.061 0.000 2.589 331 N HA 0.229 4.969 4.740 -0.000 0.000 0.232 331 N C -0.482 174.989 175.510 -0.064 0.000 1.015 331 N CA -0.546 52.473 53.050 -0.052 0.000 0.931 331 N CB 0.209 38.661 38.487 -0.057 0.000 1.150 331 N HN 0.243 nan 8.380 nan 0.000 0.512 332 I N 2.811 123.339 120.570 -0.069 0.000 2.471 332 I HA 0.114 4.284 4.170 -0.000 0.000 0.286 332 I C 0.598 176.648 176.117 -0.112 0.000 1.079 332 I CA -0.003 61.207 61.300 -0.150 0.000 1.398 332 I CB 0.602 38.425 38.000 -0.296 0.000 1.403 332 I HN 0.146 nan 8.210 nan 0.000 0.530 333 K N 6.152 126.500 120.400 -0.087 0.000 2.263 333 K HA 0.179 4.499 4.320 -0.000 0.000 0.272 333 K C -1.084 175.473 176.600 -0.072 0.000 1.033 333 K CA -0.462 55.842 56.287 0.028 0.000 0.884 333 K CB 0.948 33.545 32.500 0.162 0.000 1.107 333 K HN 0.484 nan 8.250 nan 0.000 0.460 334 W N 3.116 124.379 121.300 -0.060 0.000 1.438 334 W HA 0.016 4.676 4.660 -0.000 0.000 0.455 334 W C 0.907 177.316 176.519 -0.183 0.000 0.656 334 W CA -0.233 57.031 57.345 -0.135 0.000 2.049 334 W CB -0.272 29.115 29.460 -0.122 0.000 1.683 334 W HN 0.379 nan 8.180 nan 0.000 0.228 335 S N 0.235 115.846 115.700 -0.149 0.000 2.652 335 S HA 0.390 4.860 4.470 -0.000 0.000 0.270 335 S C -1.592 172.843 174.600 -0.276 0.000 1.243 335 S CA -1.254 56.811 58.200 -0.226 0.000 0.999 335 S CB 1.750 64.654 63.200 -0.493 0.000 0.973 335 S HN -0.007 nan 8.310 nan 0.000 0.544 336 P HA -0.088 nan 4.420 nan 0.000 0.215 336 P C 1.681 178.916 177.300 -0.109 0.000 1.157 336 P CA 2.114 65.142 63.100 -0.121 0.000 0.874 336 P CB -0.294 31.459 31.700 0.088 0.000 0.790 337 A N -0.926 121.825 122.820 -0.115 0.000 1.908 337 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 337 A C 2.235 179.654 177.584 -0.276 0.000 1.181 337 A CA 2.386 54.359 52.037 -0.108 0.000 0.627 337 A CB -1.519 17.340 19.000 -0.235 0.000 0.818 337 A HN 0.140 nan 8.150 nan 0.000 0.445 338 M N -0.824 118.432 119.600 -0.573 0.000 2.229 338 M HA 0.001 4.481 4.480 -0.000 0.000 0.264 338 M C 2.006 178.094 176.300 -0.354 0.000 1.063 338 M CA 1.628 56.652 55.300 -0.459 0.000 1.114 338 M CB -0.566 31.704 32.600 -0.549 0.000 1.387 338 M HN 0.426 nan 8.290 nan 0.000 0.420 339 M N -1.883 117.445 119.600 -0.453 0.000 2.117 339 M HA -0.210 4.270 4.480 -0.000 0.000 0.262 339 M C 1.890 177.780 176.300 -0.683 0.000 1.065 339 M CA 1.886 56.749 55.300 -0.728 0.000 1.114 339 M CB -0.551 31.298 32.600 -1.252 0.000 1.361 339 M HN 0.391 nan 8.290 nan 0.000 0.408 340 W N -0.005 121.041 121.300 -0.423 0.000 2.363 340 W HA -0.154 4.506 4.660 -0.000 0.000 0.296 340 W C 2.647 179.235 176.519 0.114 0.000 1.212 340 W CA 1.077 58.372 57.345 -0.083 0.000 1.260 340 W CB -0.366 29.052 29.460 -0.070 0.000 1.131 340 W HN 0.228 nan 8.180 nan 0.000 0.530 341 A N -0.046 122.880 122.820 0.177 0.000 1.930 341 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 341 A C 1.908 179.581 177.584 0.148 0.000 1.175 341 A CA 1.238 53.318 52.037 0.072 0.000 0.627 341 A CB -0.929 18.004 19.000 -0.113 0.000 0.815 341 A HN 0.280 nan 8.150 nan 0.000 0.443 342 L N -0.703 120.575 121.223 0.092 0.000 2.056 342 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 342 L C 2.839 179.933 176.870 0.373 0.000 1.078 342 L CA 1.031 55.962 54.840 0.152 0.000 0.749 342 L CB -0.865 41.213 42.059 0.032 0.000 0.901 342 L HN 0.479 nan 8.230 nan 0.000 0.433 343 G N -0.021 109.091 108.800 0.520 0.000 2.446 343 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.217 343 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.217 343 G C 1.483 176.839 174.900 0.760 0.000 1.168 343 G CA 0.773 46.381 45.100 0.847 0.000 0.771 343 G HN 0.300 nan 8.290 nan 0.000 0.551 344 F N 1.683 121.994 119.950 0.603 0.000 2.065 344 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 344 F C 2.527 178.516 175.800 0.316 0.000 1.112 344 F CA 1.577 59.805 58.000 0.380 0.000 1.212 344 F CB -0.357 38.805 39.000 0.271 0.000 0.975 344 F HN 0.121 nan 8.300 nan 0.000 0.476 345 I N -0.766 120.187 120.570 0.638 0.000 2.194 345 I HA -0.336 3.834 4.170 -0.000 0.000 0.246 345 I C 2.342 178.730 176.117 0.452 0.000 1.093 345 I CA 1.732 63.351 61.300 0.533 0.000 1.355 345 I CB -0.666 37.587 38.000 0.422 0.000 1.046 345 I HN 0.264 nan 8.210 nan 0.000 0.413 346 F N 1.098 121.215 119.950 0.277 0.000 2.118 346 F HA -0.098 4.429 4.527 -0.000 0.000 0.293 346 F C 2.118 178.019 175.800 0.167 0.000 1.102 346 F CA 1.265 59.397 58.000 0.220 0.000 1.247 346 F CB -0.354 38.789 39.000 0.239 0.000 1.017 346 F HN -0.175 nan 8.300 nan 0.000 0.475 347 L N -0.104 121.125 121.223 0.011 0.000 2.042 347 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 347 L C 2.364 179.138 176.870 -0.159 0.000 1.076 347 L CA 1.750 56.505 54.840 -0.142 0.000 0.749 347 L CB -1.901 40.038 42.059 -0.200 0.000 0.893 347 L HN 0.299 nan 8.230 nan 0.000 0.432 348 F N 0.258 120.014 119.950 -0.324 0.000 2.134 348 F HA -0.227 4.300 4.527 -0.000 0.000 0.299 348 F C 2.402 178.098 175.800 -0.174 0.000 1.097 348 F CA 1.879 59.666 58.000 -0.355 0.000 1.264 348 F CB -0.498 38.110 39.000 -0.654 0.000 1.001 348 F HN 0.037 nan 8.300 nan 0.000 0.479 349 T N 0.057 114.528 114.554 -0.138 0.000 2.788 349 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 349 T C 2.183 176.696 174.700 -0.312 0.000 1.044 349 T CA 1.540 63.531 62.100 -0.183 0.000 1.139 349 T CB -0.585 68.280 68.868 -0.004 0.000 0.867 349 T HN 0.138 nan 8.240 nan 0.000 0.454 350 V N 1.278 120.956 119.914 -0.394 0.000 2.270 350 V HA -0.088 4.032 4.120 -0.000 0.000 0.245 350 V C 2.873 178.748 176.094 -0.364 0.000 1.043 350 V CA 2.063 64.116 62.300 -0.412 0.000 1.014 350 V CB -1.270 30.241 31.823 -0.520 0.000 0.645 350 V HN 0.584 nan 8.190 nan 0.000 0.447 351 G N -0.342 108.263 108.800 -0.326 0.000 2.432 351 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.219 351 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.219 351 G C 1.557 176.307 174.900 -0.250 0.000 1.135 351 G CA 0.947 45.881 45.100 -0.277 0.000 0.767 351 G HN 0.602 nan 8.290 nan 0.000 0.550 352 G N 0.405 108.938 108.800 -0.443 0.000 2.430 352 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.216 352 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.216 352 G C 1.609 176.430 174.900 -0.131 0.000 1.146 352 G CA 0.420 45.316 45.100 -0.340 0.000 0.793 352 G HN 0.285 nan 8.290 nan 0.000 0.537 353 L N 0.893 122.029 121.223 -0.146 0.000 2.056 353 L HA 0.039 4.379 4.340 -0.000 0.000 0.207 353 L C 2.974 179.817 176.870 -0.045 0.000 1.078 353 L CA 1.619 56.411 54.840 -0.079 0.000 0.749 353 L CB -1.249 40.755 42.059 -0.091 0.000 0.901 353 L HN 0.141 nan 8.230 nan 0.000 0.433 354 T N -0.919 113.604 114.554 -0.053 0.000 2.833 354 T HA -0.117 4.233 4.350 -0.000 0.000 0.269 354 T C 1.637 176.332 174.700 -0.008 0.000 1.054 354 T CA 1.246 63.344 62.100 -0.002 0.000 1.135 354 T CB -0.261 68.555 68.868 -0.088 0.000 0.869 354 T HN 0.533 nan 8.240 nan 0.000 0.466 355 G N 0.600 109.385 108.800 -0.024 0.000 2.484 355 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.218 355 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.218 355 G C 1.398 176.198 174.900 -0.166 0.000 1.130 355 G CA 0.068 44.993 45.100 -0.293 0.000 0.784 355 G HN 0.418 nan 8.290 nan 0.000 0.543 356 I N 0.832 121.362 120.570 -0.066 0.000 2.500 356 I HA -0.036 4.134 4.170 -0.000 0.000 0.252 356 I C 2.785 178.875 176.117 -0.045 0.000 1.142 356 I CA 0.542 61.816 61.300 -0.044 0.000 1.451 356 I CB -0.598 37.392 38.000 -0.016 0.000 1.093 356 I HN 0.015 nan 8.210 nan 0.000 0.430 357 V N 1.232 121.129 119.914 -0.027 0.000 2.295 357 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 357 V C 2.489 178.547 176.094 -0.060 0.000 1.049 357 V CA 1.497 63.783 62.300 -0.024 0.000 1.024 357 V CB -0.495 31.355 31.823 0.045 0.000 0.648 357 V HN 0.322 nan 8.190 nan 0.000 0.447 358 L N 0.151 121.332 121.223 -0.069 0.000 2.456 358 L HA -0.081 4.259 4.340 -0.000 0.000 0.224 358 L C 2.498 179.326 176.870 -0.071 0.000 1.148 358 L CA 0.982 55.762 54.840 -0.099 0.000 0.825 358 L CB -0.707 41.233 42.059 -0.198 0.000 0.937 358 L HN 0.355 nan 8.230 nan 0.000 0.450 359 A N -0.553 122.222 122.820 -0.074 0.000 2.066 359 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 359 A C 0.952 178.555 177.584 0.033 0.000 1.157 359 A CA 0.469 52.509 52.037 0.005 0.000 0.670 359 A CB -0.395 18.592 19.000 -0.022 0.000 0.804 359 A HN 0.393 nan 8.150 nan 0.000 0.453 360 N N 1.384 120.050 118.700 -0.057 0.000 2.416 360 N HA 0.066 4.806 4.740 -0.000 0.000 0.265 360 N C 1.170 176.522 175.510 -0.264 0.000 1.195 360 N CA 0.694 53.659 53.050 -0.142 0.000 0.943 360 N CB 1.158 39.577 38.487 -0.113 0.000 1.115 360 N HN 0.508 nan 8.380 nan 0.000 0.481 361 S N 1.726 117.072 115.700 -0.590 0.000 2.383 361 S HA -0.229 4.241 4.470 -0.000 0.000 0.229 361 S C 2.089 176.430 174.600 -0.431 0.000 1.030 361 S CA 1.454 59.055 58.200 -0.999 0.000 1.002 361 S CB -0.349 61.996 63.200 -1.426 0.000 0.829 361 S HN 0.631 nan 8.310 nan 0.000 0.467 362 S N 2.633 118.160 115.700 -0.288 0.000 2.353 362 S HA -0.050 4.420 4.470 -0.000 0.000 0.222 362 S C 1.816 176.340 174.600 -0.127 0.000 1.035 362 S CA 1.198 59.296 58.200 -0.170 0.000 1.025 362 S CB -0.958 62.164 63.200 -0.130 0.000 0.902 362 S HN 0.347 nan 8.310 nan 0.000 0.440 363 L N 2.557 123.704 121.223 -0.126 0.000 2.201 363 L HA 0.089 4.429 4.340 -0.000 0.000 0.212 363 L C 1.997 178.813 176.870 -0.091 0.000 1.105 363 L CA 1.792 56.568 54.840 -0.108 0.000 0.775 363 L CB -1.100 40.888 42.059 -0.119 0.000 0.913 363 L HN 0.354 nan 8.230 nan 0.000 0.440 364 D N -1.144 119.213 120.400 -0.071 0.000 2.264 364 D HA -0.179 4.461 4.640 -0.000 0.000 0.208 364 D C 2.165 178.502 176.300 0.062 0.000 0.966 364 D CA 0.583 54.595 54.000 0.020 0.000 0.864 364 D CB 0.133 41.031 40.800 0.163 0.000 0.933 364 D HN 0.203 nan 8.370 nan 0.000 0.499 365 I N 0.420 120.997 120.570 0.011 0.000 2.151 365 I HA -0.196 3.974 4.170 -0.000 0.000 0.243 365 I C 2.438 178.588 176.117 0.054 0.000 1.080 365 I CA 0.931 62.254 61.300 0.037 0.000 1.339 365 I CB -1.159 36.840 38.000 -0.003 0.000 1.039 365 I HN 0.102 nan 8.210 nan 0.000 0.409 366 V N 0.240 120.160 119.914 0.009 0.000 3.406 366 V HA 0.014 4.134 4.120 -0.000 0.000 0.263 366 V C 1.926 178.009 176.094 -0.018 0.000 1.172 366 V CA 0.750 63.050 62.300 0.000 0.000 1.140 366 V CB 0.157 31.968 31.823 -0.020 0.000 0.784 366 V HN 0.286 nan 8.190 nan 0.000 0.467 367 L N -0.651 120.555 121.223 -0.029 0.000 2.470 367 L HA 0.260 4.600 4.340 -0.000 0.000 0.219 367 L C 1.169 178.049 176.870 0.016 0.000 1.071 367 L CA -0.063 54.741 54.840 -0.061 0.000 0.850 367 L CB -0.351 41.599 42.059 -0.182 0.000 1.040 367 L HN 0.393 nan 8.230 nan 0.000 0.475 368 H N 1.320 120.384 119.070 -0.009 0.000 3.038 368 H HA -0.126 4.430 4.556 -0.000 0.000 0.338 368 H C 0.506 175.847 175.328 0.021 0.000 1.041 368 H CA 0.702 56.758 56.048 0.013 0.000 1.394 368 H CB 0.146 29.927 29.762 0.033 0.000 1.357 368 H HN 0.134 nan 8.280 nan 0.000 0.600 369 D N 1.801 121.705 120.400 -0.827 0.000 2.983 369 D HA -0.217 4.423 4.640 -0.000 0.000 0.225 369 D C -0.188 175.964 176.300 -0.247 0.000 1.174 369 D CA 1.460 55.132 54.000 -0.547 0.000 0.831 369 D CB -0.865 39.602 40.800 -0.555 0.000 1.104 369 D HN 0.762 nan 8.370 nan 0.000 0.421 370 T N -4.041 110.422 114.554 -0.152 0.000 2.919 370 T HA 0.404 4.754 4.350 -0.000 0.000 0.282 370 T C 1.049 175.712 174.700 -0.061 0.000 1.020 370 T CA -0.697 61.354 62.100 -0.081 0.000 0.994 370 T CB 0.842 69.696 68.868 -0.023 0.000 1.180 370 T HN -0.069 nan 8.240 nan 0.000 0.566 371 Y N -0.696 119.540 120.300 -0.107 0.000 2.639 371 Y HA 0.057 4.607 4.550 -0.000 0.000 0.297 371 Y C 1.977 177.809 175.900 -0.113 0.000 1.151 371 Y CA 0.560 58.591 58.100 -0.115 0.000 1.335 371 Y CB -0.537 37.822 38.460 -0.168 0.000 0.994 371 Y HN 0.823 nan 8.280 nan 0.000 0.548 372 Y N -0.766 119.483 120.300 -0.085 0.000 2.274 372 Y HA -0.217 4.333 4.550 -0.000 0.000 0.290 372 Y C 2.470 178.285 175.900 -0.141 0.000 1.145 372 Y CA 1.571 59.587 58.100 -0.141 0.000 1.203 372 Y CB -0.179 38.228 38.460 -0.088 0.000 0.984 372 Y HN 0.038 nan 8.280 nan 0.000 0.533 373 V N -1.560 118.400 119.914 0.076 0.000 2.719 373 V HA -0.108 4.012 4.120 -0.000 0.000 0.252 373 V C 1.815 177.898 176.094 -0.018 0.000 1.065 373 V CA 1.689 64.048 62.300 0.099 0.000 1.086 373 V CB -0.642 31.279 31.823 0.164 0.000 0.700 373 V HN 0.204 nan 8.190 nan 0.000 0.467 374 V N 1.220 120.985 119.914 -0.248 0.000 2.515 374 V HA -0.114 4.006 4.120 -0.000 0.000 0.250 374 V C 3.047 178.786 176.094 -0.593 0.000 1.058 374 V CA 1.986 63.895 62.300 -0.652 0.000 1.064 374 V CB -1.262 30.214 31.823 -0.580 0.000 0.675 374 V HN 0.680 nan 8.190 nan 0.000 0.461 375 A N -0.077 122.491 122.820 -0.420 0.000 1.873 375 A HA -0.259 4.061 4.320 -0.000 0.000 0.215 375 A C 2.097 179.449 177.584 -0.386 0.000 1.186 375 A CA 2.116 53.866 52.037 -0.478 0.000 0.616 375 A CB -0.806 17.574 19.000 -1.033 0.000 0.823 375 A HN 0.749 nan 8.150 nan 0.000 0.442 376 H N 0.259 119.045 119.070 -0.473 0.000 2.254 376 H HA -0.236 4.320 4.556 -0.000 0.000 0.294 376 H C 1.692 176.923 175.328 -0.162 0.000 1.071 376 H CA 2.666 58.545 56.048 -0.281 0.000 1.228 376 H CB -0.811 28.850 29.762 -0.169 0.000 1.358 376 H HN 0.579 nan 8.280 nan 0.000 0.495 377 F N -1.060 118.681 119.950 -0.347 0.000 2.451 377 F HA 0.015 4.542 4.527 -0.000 0.000 0.299 377 F C 1.744 177.200 175.800 -0.574 0.000 1.101 377 F CA 1.170 58.843 58.000 -0.545 0.000 1.436 377 F CB -0.889 37.904 39.000 -0.344 0.000 1.074 377 F HN 0.230 nan 8.300 nan 0.000 0.553 378 H N -1.985 116.676 119.070 -0.681 0.000 2.482 378 H HA 0.040 4.596 4.556 -0.000 0.000 0.286 378 H C 1.443 176.318 175.328 -0.755 0.000 1.017 378 H CA 1.474 56.993 56.048 -0.881 0.000 1.322 378 H CB -0.200 28.573 29.762 -1.647 0.000 1.426 378 H HN 0.246 nan 8.280 nan 0.000 0.546 379 Y N 0.101 120.094 120.300 -0.512 0.000 2.133 379 Y HA -0.209 4.341 4.550 -0.000 0.000 0.287 379 Y C 2.567 178.227 175.900 -0.400 0.000 1.134 379 Y CA 1.499 59.351 58.100 -0.414 0.000 1.133 379 Y CB -0.406 37.852 38.460 -0.336 0.000 0.987 379 Y HN 0.136 nan 8.280 nan 0.000 0.502 380 V N -2.293 117.450 119.914 -0.286 0.000 2.809 380 V HA -0.143 3.977 4.120 -0.000 0.000 0.256 380 V C 1.688 177.669 176.094 -0.189 0.000 1.080 380 V CA 1.473 63.627 62.300 -0.242 0.000 1.102 380 V CB -0.720 30.911 31.823 -0.321 0.000 0.705 380 V HN 0.369 nan 8.190 nan 0.000 0.475 381 L N -0.151 120.916 121.223 -0.259 0.000 2.262 381 L HA 0.152 4.492 4.340 -0.000 0.000 0.197 381 L C 2.712 179.475 176.870 -0.178 0.000 1.073 381 L CA 1.280 55.986 54.840 -0.222 0.000 0.800 381 L CB -0.428 41.462 42.059 -0.280 0.000 0.987 381 L HN 0.294 nan 8.230 nan 0.000 0.470 382 S N -0.586 114.967 115.700 -0.246 0.000 2.489 382 S HA 0.053 4.523 4.470 -0.000 0.000 0.228 382 S C 1.546 176.053 174.600 -0.154 0.000 0.995 382 S CA 0.866 58.981 58.200 -0.141 0.000 0.934 382 S CB 0.074 63.172 63.200 -0.171 0.000 0.771 382 S HN 0.285 nan 8.310 nan 0.000 0.522 383 M N -0.450 118.938 119.600 -0.353 0.000 2.347 383 M HA 0.320 4.800 4.480 -0.000 0.000 0.324 383 M C 1.279 177.314 176.300 -0.441 0.000 1.028 383 M CA -0.032 54.852 55.300 -0.693 0.000 0.988 383 M CB 1.267 33.320 32.600 -0.912 0.000 1.528 383 M HN 0.306 nan 8.290 nan 0.000 0.550 384 G N 0.057 108.768 108.800 -0.149 0.000 2.495 384 G HA2 0.325 4.285 3.960 -0.000 0.000 0.219 384 G HA3 0.325 4.285 3.960 -0.000 0.000 0.219 384 G C 1.325 176.399 174.900 0.290 0.000 1.875 384 G CA 0.624 45.718 45.100 -0.009 0.000 0.757 384 G HN 0.269 nan 8.290 nan 0.000 0.682 385 A N 0.161 123.063 122.820 0.138 0.000 1.881 385 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 385 A C 2.569 180.247 177.584 0.157 0.000 1.215 385 A CA 2.704 54.808 52.037 0.113 0.000 0.648 385 A CB -1.098 17.895 19.000 -0.011 0.000 0.832 385 A HN 0.469 nan 8.150 nan 0.000 0.455 386 V N -1.421 118.588 119.914 0.157 0.000 2.332 386 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 386 V C 2.347 178.607 176.094 0.277 0.000 1.055 386 V CA 2.111 64.526 62.300 0.192 0.000 1.038 386 V CB -0.951 30.994 31.823 0.204 0.000 0.651 386 V HN 0.530 nan 8.190 nan 0.000 0.450 387 F N 0.715 120.760 119.950 0.157 0.000 2.186 387 F HA -0.059 4.468 4.527 -0.000 0.000 0.299 387 F C 2.367 178.251 175.800 0.140 0.000 1.090 387 F CA 0.875 59.033 58.000 0.265 0.000 1.307 387 F CB -1.157 38.176 39.000 0.556 0.000 1.019 387 F HN 0.105 nan 8.300 nan 0.000 0.489 388 A N 0.229 123.247 122.820 0.330 0.000 1.873 388 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 388 A C 2.325 179.881 177.584 -0.048 0.000 1.186 388 A CA 1.424 53.484 52.037 0.039 0.000 0.616 388 A CB -1.051 17.923 19.000 -0.044 0.000 0.823 388 A HN 0.329 nan 8.150 nan 0.000 0.442 389 I N -0.529 120.041 120.570 0.001 0.000 2.264 389 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 389 I C 2.622 178.736 176.117 -0.005 0.000 1.111 389 I CA 1.285 62.600 61.300 0.024 0.000 1.382 389 I CB -0.299 37.761 38.000 0.100 0.000 1.060 389 I HN 0.319 nan 8.210 nan 0.000 0.418 390 M N 0.001 119.442 119.600 -0.265 0.000 2.156 390 M HA -0.051 4.429 4.480 -0.000 0.000 0.264 390 M C 2.465 178.471 176.300 -0.491 0.000 1.067 390 M CA 1.739 56.687 55.300 -0.587 0.000 1.131 390 M CB -1.674 29.928 32.600 -1.664 0.000 1.368 390 M HN 0.294 nan 8.290 nan 0.000 0.416 391 G N 0.099 108.648 108.800 -0.417 0.000 2.421 391 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 391 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 391 G C 1.563 176.458 174.900 -0.008 0.000 1.171 391 G CA 1.099 46.142 45.100 -0.095 0.000 0.775 391 G HN 0.542 nan 8.290 nan 0.000 0.543 392 G N 0.163 108.954 108.800 -0.016 0.000 2.422 392 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 392 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 392 G C 1.619 176.775 174.900 0.427 0.000 1.146 392 G CA 0.895 46.056 45.100 0.101 0.000 0.769 392 G HN 0.350 nan 8.290 nan 0.000 0.547 393 F N 1.793 121.932 119.950 0.315 0.000 2.113 393 F HA -0.118 4.409 4.527 -0.000 0.000 0.297 393 F C 2.763 178.730 175.800 0.278 0.000 1.103 393 F CA 1.869 60.147 58.000 0.464 0.000 1.248 393 F CB -0.315 38.880 39.000 0.325 0.000 0.999 393 F HN 0.068 nan 8.300 nan 0.000 0.475 394 V N -1.755 118.274 119.914 0.191 0.000 2.667 394 V HA -0.186 3.934 4.120 -0.000 0.000 0.252 394 V C 2.312 178.439 176.094 0.054 0.000 1.065 394 V CA 2.209 64.555 62.300 0.077 0.000 1.083 394 V CB -1.330 30.600 31.823 0.179 0.000 0.692 394 V HN 0.508 nan 8.190 nan 0.000 0.468 395 H N -0.832 118.188 119.070 -0.084 0.000 2.372 395 H HA -0.026 4.530 4.556 -0.000 0.000 0.301 395 H C 1.778 176.940 175.328 -0.277 0.000 1.065 395 H CA 2.130 58.044 56.048 -0.224 0.000 1.364 395 H CB -0.127 29.333 29.762 -0.503 0.000 1.406 395 H HN 0.536 nan 8.280 nan 0.000 0.521 396 W N -0.450 120.612 121.300 -0.395 0.000 3.211 396 W HA 0.048 4.708 4.660 -0.000 0.000 0.292 396 W C 1.419 177.215 176.519 -1.205 0.000 1.268 396 W CA -0.286 56.497 57.345 -0.938 0.000 1.702 396 W CB -0.693 28.089 29.460 -1.129 0.000 1.092 396 W HN 0.199 nan 8.180 nan 0.000 0.643 397 F N 2.891 122.420 119.950 -0.702 0.000 2.115 397 F HA -0.183 4.344 4.527 -0.000 0.000 0.300 397 F C -0.828 174.689 175.800 -0.473 0.000 1.092 397 F CA 1.754 59.336 58.000 -0.696 0.000 1.245 397 F CB -1.548 37.038 39.000 -0.690 0.000 0.995 397 F HN -0.243 nan 8.300 nan 0.000 0.481 398 P HA -0.151 nan 4.420 nan 0.000 0.218 398 P C 1.862 178.978 177.300 -0.306 0.000 1.149 398 P CA 1.214 64.157 63.100 -0.262 0.000 0.817 398 P CB -0.115 31.602 31.700 0.028 0.000 0.785 399 L N -1.875 119.073 121.223 -0.457 0.000 2.109 399 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 399 L C 1.853 178.404 176.870 -0.532 0.000 1.086 399 L CA 1.909 56.414 54.840 -0.558 0.000 0.760 399 L CB -1.075 40.330 42.059 -1.090 0.000 0.910 399 L HN -0.175 nan 8.230 nan 0.000 0.437 400 F N -0.479 118.988 119.950 -0.807 0.000 2.206 400 F HA -0.028 4.499 4.527 -0.000 0.000 0.298 400 F C 2.789 178.277 175.800 -0.519 0.000 1.090 400 F CA 0.972 58.367 58.000 -1.008 0.000 1.323 400 F CB -1.526 36.829 39.000 -1.076 0.000 1.028 400 F HN 0.357 nan 8.300 nan 0.000 0.492 401 S N -1.491 113.913 115.700 -0.494 0.000 2.499 401 S HA 0.412 4.882 4.470 -0.000 0.000 0.225 401 S C 1.878 176.162 174.600 -0.527 0.000 1.050 401 S CA 0.565 58.484 58.200 -0.467 0.000 0.928 401 S CB 0.262 62.946 63.200 -0.859 0.000 0.803 401 S HN 0.525 nan 8.310 nan 0.000 0.506 402 G N -0.047 108.467 108.800 -0.476 0.000 2.175 402 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.244 402 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.244 402 G C -0.220 174.443 174.900 -0.394 0.000 0.982 402 G CA 0.341 45.197 45.100 -0.405 0.000 0.641 402 G HN 0.515 nan 8.290 nan 0.000 0.527 403 Y N 0.861 121.047 120.300 -0.190 0.000 2.587 403 Y HA 0.732 5.282 4.550 -0.000 0.000 0.337 403 Y C 0.881 176.760 175.900 -0.035 0.000 1.065 403 Y CA -0.780 57.255 58.100 -0.108 0.000 1.126 403 Y CB 1.580 39.961 38.460 -0.133 0.000 1.279 403 Y HN 0.327 nan 8.280 nan 0.000 0.489 404 T N -0.528 114.159 114.554 0.221 0.000 2.940 404 T HA 0.788 5.138 4.350 -0.000 0.000 0.288 404 T C -0.498 174.286 174.700 0.141 0.000 1.033 404 T CA -0.890 61.316 62.100 0.176 0.000 1.033 404 T CB 0.956 69.885 68.868 0.101 0.000 1.079 404 T HN 0.462 nan 8.240 nan 0.000 0.496 405 L N 1.800 123.079 121.223 0.093 0.000 2.439 405 L HA 0.440 4.780 4.340 -0.000 0.000 0.259 405 L C 0.955 177.844 176.870 0.031 0.000 1.129 405 L CA -1.163 53.662 54.840 -0.025 0.000 0.803 405 L CB 0.551 42.560 42.059 -0.082 0.000 1.161 405 L HN 0.705 nan 8.230 nan 0.000 0.462 406 N N 0.915 119.646 118.700 0.052 0.000 2.439 406 N HA -0.023 4.717 4.740 -0.000 0.000 0.243 406 N C 0.210 175.813 175.510 0.154 0.000 1.088 406 N CA -0.030 53.099 53.050 0.132 0.000 0.940 406 N CB 0.907 39.556 38.487 0.271 0.000 1.180 406 N HN 0.531 nan 8.380 nan 0.000 0.505 407 D N 2.046 122.507 120.400 0.101 0.000 2.172 407 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 407 D C 1.153 177.511 176.300 0.096 0.000 0.999 407 D CA 1.652 55.706 54.000 0.091 0.000 0.856 407 D CB 0.255 41.090 40.800 0.057 0.000 0.934 407 D HN 0.549 nan 8.370 nan 0.000 0.453 408 T N -1.140 113.454 114.554 0.067 0.000 2.737 408 T HA -0.141 4.209 4.350 -0.000 0.000 0.265 408 T C 1.725 176.480 174.700 0.092 0.000 1.038 408 T CA 0.924 63.027 62.100 0.006 0.000 1.144 408 T CB -0.536 68.259 68.868 -0.123 0.000 0.866 408 T HN 0.350 nan 8.240 nan 0.000 0.434 409 W N 1.417 122.778 121.300 0.101 0.000 2.338 409 W HA -0.058 4.602 4.660 -0.000 0.000 0.304 409 W C 2.859 179.485 176.519 0.178 0.000 1.212 409 W CA 0.530 57.965 57.345 0.150 0.000 1.264 409 W CB -0.319 29.236 29.460 0.158 0.000 1.142 409 W HN 0.224 nan 8.180 nan 0.000 0.512 410 A N 0.501 123.556 122.820 0.392 0.000 1.940 410 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 410 A C 1.834 179.629 177.584 0.351 0.000 1.176 410 A CA 1.963 54.215 52.037 0.358 0.000 0.631 410 A CB -0.619 18.539 19.000 0.262 0.000 0.814 410 A HN 0.325 nan 8.150 nan 0.000 0.446 411 K N -0.627 119.904 120.400 0.219 0.000 2.155 411 K HA 0.060 4.380 4.320 -0.000 0.000 0.203 411 K C 1.767 178.482 176.600 0.191 0.000 1.052 411 K CA 1.163 57.531 56.287 0.135 0.000 0.948 411 K CB -0.283 32.243 32.500 0.043 0.000 0.728 411 K HN 0.517 nan 8.250 nan 0.000 0.448 412 I N 0.773 121.481 120.570 0.230 0.000 2.179 412 I HA -0.333 3.837 4.170 -0.000 0.000 0.242 412 I C 2.699 178.986 176.117 0.283 0.000 1.088 412 I CA 1.359 62.800 61.300 0.235 0.000 1.357 412 I CB -0.453 37.731 38.000 0.308 0.000 1.051 412 I HN 0.349 nan 8.210 nan 0.000 0.409 413 H N 0.835 120.076 119.070 0.285 0.000 2.289 413 H HA -0.307 4.249 4.556 -0.000 0.000 0.296 413 H C 2.315 177.773 175.328 0.217 0.000 1.091 413 H CA 2.540 58.759 56.048 0.285 0.000 1.274 413 H CB -0.280 29.696 29.762 0.357 0.000 1.364 413 H HN 0.341 nan 8.280 nan 0.000 0.490 414 F N 1.420 121.289 119.950 -0.136 0.000 2.069 414 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 414 F C 2.715 178.298 175.800 -0.362 0.000 1.113 414 F CA 1.966 59.578 58.000 -0.647 0.000 1.214 414 F CB -0.859 37.559 39.000 -0.970 0.000 0.978 414 F HN 0.235 nan 8.300 nan 0.000 0.474 415 A N 1.095 123.792 122.820 -0.205 0.000 1.892 415 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 415 A C 2.333 179.821 177.584 -0.159 0.000 1.188 415 A CA 2.279 54.186 52.037 -0.216 0.000 0.631 415 A CB -1.357 17.635 19.000 -0.012 0.000 0.822 415 A HN 0.569 nan 8.150 nan 0.000 0.447 416 I N -1.683 118.842 120.570 -0.075 0.000 2.142 416 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 416 I C 2.674 178.764 176.117 -0.045 0.000 1.078 416 I CA 2.037 63.329 61.300 -0.015 0.000 1.343 416 I CB -0.331 37.701 38.000 0.055 0.000 1.046 416 I HN 0.420 nan 8.210 nan 0.000 0.405 417 M N 0.519 120.049 119.600 -0.116 0.000 2.149 417 M HA -0.257 4.223 4.480 -0.000 0.000 0.261 417 M C 2.065 178.356 176.300 -0.016 0.000 1.064 417 M CA 1.881 57.153 55.300 -0.047 0.000 1.102 417 M CB -0.539 32.038 32.600 -0.039 0.000 1.369 417 M HN 0.179 nan 8.290 nan 0.000 0.408 418 F N -0.633 119.100 119.950 -0.363 0.000 2.171 418 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 418 F C 1.773 177.515 175.800 -0.097 0.000 1.090 418 F CA 1.638 59.476 58.000 -0.271 0.000 1.293 418 F CB -0.313 38.279 39.000 -0.680 0.000 1.013 418 F HN -0.026 nan 8.300 nan 0.000 0.486 419 V N -0.071 119.847 119.914 0.006 0.000 2.283 419 V HA -0.142 3.978 4.120 -0.000 0.000 0.243 419 V C 2.761 178.827 176.094 -0.047 0.000 1.039 419 V CA 1.755 64.050 62.300 -0.009 0.000 1.016 419 V CB -1.571 30.278 31.823 0.043 0.000 0.650 419 V HN 0.481 nan 8.190 nan 0.000 0.449 420 G N 1.057 109.846 108.800 -0.018 0.000 2.553 420 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 420 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 420 G C 1.799 176.671 174.900 -0.048 0.000 1.195 420 G CA 2.132 47.225 45.100 -0.012 0.000 0.779 420 G HN 0.603 nan 8.290 nan 0.000 0.577 421 V N -0.640 119.263 119.914 -0.019 0.000 2.392 421 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 421 V C 2.234 178.299 176.094 -0.048 0.000 1.059 421 V CA 2.368 64.681 62.300 0.022 0.000 1.051 421 V CB -0.646 31.231 31.823 0.090 0.000 0.658 421 V HN 0.321 nan 8.190 nan 0.000 0.455 422 N N -0.088 118.516 118.700 -0.159 0.000 2.216 422 N HA -0.066 4.674 4.740 -0.000 0.000 0.183 422 N C 1.862 177.377 175.510 0.008 0.000 1.017 422 N CA 1.986 54.973 53.050 -0.106 0.000 0.861 422 N CB -0.200 38.153 38.487 -0.223 0.000 0.986 422 N HN 0.576 nan 8.380 nan 0.000 0.428 423 M N 0.845 120.423 119.600 -0.037 0.000 2.117 423 M HA -0.133 4.347 4.480 -0.000 0.000 0.262 423 M C 1.666 177.921 176.300 -0.075 0.000 1.065 423 M CA 1.298 56.596 55.300 -0.003 0.000 1.114 423 M CB -0.116 32.482 32.600 -0.004 0.000 1.361 423 M HN 0.017 nan 8.290 nan 0.000 0.408 424 T N 0.263 114.680 114.554 -0.228 0.000 2.737 424 T HA -0.104 4.246 4.350 -0.000 0.000 0.265 424 T C 1.154 175.448 174.700 -0.676 0.000 1.038 424 T CA 1.601 63.378 62.100 -0.538 0.000 1.144 424 T CB -0.305 68.025 68.868 -0.896 0.000 0.866 424 T HN 0.368 nan 8.240 nan 0.000 0.434 425 F N -0.572 119.330 119.950 -0.079 0.000 2.656 425 F HA 0.364 4.891 4.527 -0.000 0.000 0.291 425 F C 1.719 177.541 175.800 0.037 0.000 1.122 425 F CA -0.972 56.986 58.000 -0.071 0.000 1.427 425 F CB -0.559 38.372 39.000 -0.114 0.000 1.125 425 F HN 0.025 nan 8.300 nan 0.000 0.583 426 F N 2.606 122.642 119.950 0.143 0.000 2.095 426 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 426 F C -0.752 174.890 175.800 -0.264 0.000 1.104 426 F CA 1.187 59.228 58.000 0.069 0.000 1.232 426 F CB -1.692 37.311 39.000 0.006 0.000 0.987 426 F HN -0.122 nan 8.300 nan 0.000 0.475 427 P HA -0.222 nan 4.420 nan 0.000 0.216 427 P C 1.266 178.192 177.300 -0.623 0.000 1.150 427 P CA 2.056 64.819 63.100 -0.561 0.000 0.843 427 P CB -0.238 31.412 31.700 -0.083 0.000 0.787 428 Q N -1.799 117.761 119.800 -0.400 0.000 2.376 428 Q HA -0.230 4.110 4.340 -0.000 0.000 0.211 428 Q C 1.738 177.486 176.000 -0.421 0.000 0.986 428 Q CA 1.222 56.835 55.803 -0.317 0.000 0.886 428 Q CB -0.738 27.925 28.738 -0.125 0.000 0.927 428 Q HN 0.546 nan 8.270 nan 0.000 0.457 429 H N -0.975 117.676 119.070 -0.697 0.000 2.389 429 H HA -0.101 4.455 4.556 -0.000 0.000 0.299 429 H C 1.367 176.516 175.328 -0.298 0.000 1.081 429 H CA 1.352 57.032 56.048 -0.614 0.000 1.345 429 H CB 0.063 29.250 29.762 -0.960 0.000 1.393 429 H HN 0.197 nan 8.280 nan 0.000 0.520 430 F N 0.330 120.108 119.950 -0.286 0.000 2.113 430 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 430 F C 2.225 177.963 175.800 -0.103 0.000 1.103 430 F CA 0.805 58.633 58.000 -0.287 0.000 1.248 430 F CB -1.107 37.433 39.000 -0.767 0.000 0.999 430 F HN 0.082 nan 8.300 nan 0.000 0.475 431 L N -0.222 121.028 121.223 0.045 0.000 2.043 431 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 431 L C 2.714 179.562 176.870 -0.037 0.000 1.075 431 L CA 1.629 56.452 54.840 -0.029 0.000 0.752 431 L CB -1.544 40.377 42.059 -0.230 0.000 0.891 431 L HN 0.309 nan 8.230 nan 0.000 0.432 432 G N -0.072 108.756 108.800 0.047 0.000 2.404 432 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.215 432 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.215 432 G C 1.635 176.582 174.900 0.078 0.000 1.174 432 G CA 0.383 45.541 45.100 0.097 0.000 0.780 432 G HN 0.207 nan 8.290 nan 0.000 0.537 433 L N 1.584 122.879 121.223 0.121 0.000 2.079 433 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 433 L C 3.042 179.960 176.870 0.081 0.000 1.081 433 L CA 1.576 56.450 54.840 0.057 0.000 0.752 433 L CB -0.323 41.798 42.059 0.102 0.000 0.896 433 L HN 0.419 nan 8.230 nan 0.000 0.433 434 S N -0.977 114.809 115.700 0.144 0.000 2.603 434 S HA 0.172 4.642 4.470 -0.000 0.000 0.220 434 S C 1.428 176.170 174.600 0.237 0.000 0.967 434 S CA 0.349 58.677 58.200 0.214 0.000 0.920 434 S CB 0.357 63.761 63.200 0.340 0.000 0.773 434 S HN 0.578 nan 8.310 nan 0.000 0.529 435 G N 0.990 109.852 108.800 0.103 0.000 2.176 435 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.232 435 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.232 435 G C -0.055 174.796 174.900 -0.082 0.000 0.986 435 G CA 0.022 45.161 45.100 0.066 0.000 0.643 435 G HN 0.594 nan 8.290 nan 0.000 0.522 436 M N 2.015 121.381 119.600 -0.390 0.000 2.307 436 M HA 0.373 4.853 4.480 -0.000 0.000 0.346 436 M C -2.030 174.122 176.300 -0.247 0.000 1.552 436 M CA -1.248 53.709 55.300 -0.570 0.000 1.116 436 M CB 0.610 32.646 32.600 -0.939 0.000 1.889 436 M HN -0.017 nan 8.290 nan 0.000 0.460 437 P HA 0.152 nan 4.420 nan 0.000 0.273 437 P C -1.134 175.993 177.300 -0.290 0.000 1.250 437 P CA -0.002 62.826 63.100 -0.453 0.000 0.793 437 P CB 0.564 31.666 31.700 -0.997 0.000 1.011 438 R N 0.718 121.079 120.500 -0.230 0.000 2.549 438 R HA 0.488 4.828 4.340 -0.000 0.000 0.267 438 R C 0.311 176.642 176.300 0.051 0.000 1.045 438 R CA -0.694 55.312 56.100 -0.157 0.000 1.115 438 R CB 0.354 30.537 30.300 -0.194 0.000 1.121 438 R HN 0.362 nan 8.270 nan 0.000 0.543 439 R N -0.714 119.917 120.500 0.218 0.000 3.770 439 R HA -0.197 4.143 4.340 -0.000 0.000 0.305 439 R C -1.109 175.552 176.300 0.602 0.000 1.184 439 R CA 0.686 57.023 56.100 0.396 0.000 0.823 439 R CB -1.693 28.759 30.300 0.253 0.000 1.285 439 R HN 0.397 nan 8.270 nan 0.000 0.499 440 Y N -0.192 120.277 120.300 0.281 0.000 2.387 440 Y HA 0.254 4.804 4.550 -0.000 0.000 0.336 440 Y C 1.518 177.363 175.900 -0.092 0.000 1.067 440 Y CA -1.294 56.885 58.100 0.132 0.000 1.114 440 Y CB 1.854 40.405 38.460 0.151 0.000 1.208 440 Y HN 0.091 nan 8.280 nan 0.000 0.458 441 S N -0.401 115.162 115.700 -0.228 0.000 2.548 441 S HA 0.172 4.642 4.470 -0.000 0.000 0.215 441 S C -0.055 174.382 174.600 -0.272 0.000 0.976 441 S CA 0.070 57.868 58.200 -0.670 0.000 0.908 441 S CB 0.352 63.176 63.200 -0.626 0.000 0.781 441 S HN 0.650 nan 8.310 nan 0.000 0.519 442 D N -0.285 120.066 120.400 -0.082 0.000 2.622 442 D HA 0.479 5.119 4.640 -0.000 0.000 0.255 442 D C -1.817 174.540 176.300 0.095 0.000 1.246 442 D CA -0.662 53.261 54.000 -0.129 0.000 0.795 442 D CB 1.774 42.446 40.800 -0.213 0.000 1.369 442 D HN 0.229 nan 8.370 nan 0.000 0.425 443 Y N -2.138 118.224 120.300 0.103 0.000 2.571 443 Y HA 0.692 5.242 4.550 -0.000 0.000 0.341 443 Y C -2.733 173.279 175.900 0.186 0.000 1.076 443 Y CA -2.274 55.961 58.100 0.225 0.000 1.029 443 Y CB 0.130 38.750 38.460 0.267 0.000 1.308 443 Y HN 0.028 nan 8.280 nan 0.000 0.461 444 P HA 0.027 nan 4.420 nan 0.000 0.266 444 P C 0.175 177.552 177.300 0.128 0.000 1.193 444 P CA 0.335 63.527 63.100 0.152 0.000 0.770 444 P CB 0.839 32.597 31.700 0.098 0.000 0.836 445 D N 2.102 122.511 120.400 0.014 0.000 2.172 445 D HA -0.220 4.420 4.640 -0.000 0.000 0.196 445 D C 1.832 178.122 176.300 -0.018 0.000 0.999 445 D CA 1.928 55.934 54.000 0.010 0.000 0.856 445 D CB -0.633 40.145 40.800 -0.038 0.000 0.934 445 D HN 0.404 nan 8.370 nan 0.000 0.453 446 A N 0.177 122.895 122.820 -0.169 0.000 2.032 446 A HA -0.210 4.110 4.320 -0.000 0.000 0.221 446 A C 1.240 178.684 177.584 -0.233 0.000 1.165 446 A CA 1.040 52.914 52.037 -0.272 0.000 0.645 446 A CB -0.842 17.904 19.000 -0.423 0.000 0.807 446 A HN 0.276 nan 8.150 nan 0.000 0.453 447 Y N 0.383 120.726 120.300 0.071 0.000 2.495 447 Y HA 0.123 4.673 4.550 -0.000 0.000 0.293 447 Y C 2.153 177.965 175.900 -0.147 0.000 1.186 447 Y CA 0.295 58.374 58.100 -0.035 0.000 1.266 447 Y CB -1.084 37.323 38.460 -0.089 0.000 1.101 447 Y HN 0.219 nan 8.280 nan 0.000 0.517 448 T N -0.408 114.212 114.554 0.111 0.000 2.770 448 T HA -0.228 4.122 4.350 -0.000 0.000 0.263 448 T C 2.106 176.773 174.700 -0.056 0.000 1.039 448 T CA 1.396 63.582 62.100 0.145 0.000 1.142 448 T CB -0.167 68.788 68.868 0.145 0.000 0.868 448 T HN 0.436 nan 8.240 nan 0.000 0.435 449 M N -0.093 119.370 119.600 -0.228 0.000 2.082 449 M HA -0.157 4.323 4.480 -0.000 0.000 0.258 449 M C 1.947 178.122 176.300 -0.209 0.000 1.071 449 M CA 2.009 57.095 55.300 -0.358 0.000 1.103 449 M CB -0.314 31.845 32.600 -0.735 0.000 1.307 449 M HN 0.406 nan 8.290 nan 0.000 0.409 450 W N 0.362 121.651 121.300 -0.019 0.000 2.363 450 W HA -0.153 4.507 4.660 -0.000 0.000 0.296 450 W C 2.173 178.611 176.519 -0.135 0.000 1.212 450 W CA 0.340 57.666 57.345 -0.033 0.000 1.260 450 W CB -0.687 28.780 29.460 0.012 0.000 1.131 450 W HN 0.342 nan 8.180 nan 0.000 0.530 451 N N -0.211 118.464 118.700 -0.042 0.000 2.396 451 N HA -0.092 4.648 4.740 -0.000 0.000 0.180 451 N C 1.426 176.902 175.510 -0.058 0.000 1.028 451 N CA 1.702 54.636 53.050 -0.193 0.000 0.893 451 N CB -0.263 37.906 38.487 -0.530 0.000 0.967 451 N HN 0.152 nan 8.380 nan 0.000 0.440 452 T N 1.540 116.089 114.554 -0.008 0.000 2.809 452 T HA 0.087 4.437 4.350 -0.000 0.000 0.260 452 T C 2.152 176.860 174.700 0.014 0.000 1.039 452 T CA 0.402 62.507 62.100 0.010 0.000 1.141 452 T CB 0.041 68.909 68.868 -0.001 0.000 0.869 452 T HN 0.131 nan 8.240 nan 0.000 0.437 453 I N 1.150 121.754 120.570 0.056 0.000 2.179 453 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 453 I C 2.822 178.961 176.117 0.037 0.000 1.088 453 I CA 0.997 62.347 61.300 0.084 0.000 1.357 453 I CB -0.423 37.704 38.000 0.211 0.000 1.051 453 I HN 0.240 nan 8.210 nan 0.000 0.409 454 S N 0.309 116.017 115.700 0.012 0.000 2.353 454 S HA -0.211 4.259 4.470 -0.000 0.000 0.222 454 S C 2.218 176.761 174.600 -0.095 0.000 1.035 454 S CA 2.201 60.347 58.200 -0.091 0.000 1.025 454 S CB -0.208 62.905 63.200 -0.145 0.000 0.902 454 S HN 0.417 nan 8.310 nan 0.000 0.440 455 S N 0.892 116.569 115.700 -0.039 0.000 2.419 455 S HA -0.002 4.468 4.470 -0.000 0.000 0.233 455 S C 1.830 176.481 174.600 0.084 0.000 1.016 455 S CA 1.319 59.535 58.200 0.027 0.000 0.974 455 S CB -0.329 62.904 63.200 0.056 0.000 0.786 455 S HN 0.496 nan 8.310 nan 0.000 0.492 456 M N 0.875 120.486 119.600 0.019 0.000 2.156 456 M HA -0.020 4.460 4.480 -0.000 0.000 0.264 456 M C 2.472 178.808 176.300 0.061 0.000 1.067 456 M CA 1.365 56.671 55.300 0.010 0.000 1.131 456 M CB -0.694 31.893 32.600 -0.021 0.000 1.368 456 M HN 0.456 nan 8.290 nan 0.000 0.416 457 G N -0.272 108.533 108.800 0.008 0.000 2.450 457 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 457 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 457 G C 1.567 176.463 174.900 -0.007 0.000 1.130 457 G CA 1.281 46.369 45.100 -0.020 0.000 0.760 457 G HN 0.567 nan 8.290 nan 0.000 0.557 458 S N -0.268 115.430 115.700 -0.004 0.000 2.442 458 S HA 0.016 4.486 4.470 -0.000 0.000 0.236 458 S C 1.974 176.606 174.600 0.052 0.000 1.007 458 S CA 0.819 59.011 58.200 -0.014 0.000 0.965 458 S CB -0.428 62.746 63.200 -0.042 0.000 0.773 458 S HN 0.189 nan 8.310 nan 0.000 0.504 459 F N 1.361 121.288 119.950 -0.037 0.000 2.416 459 F HA 0.395 4.922 4.527 -0.000 0.000 0.296 459 F C 2.020 177.820 175.800 0.001 0.000 1.099 459 F CA -0.161 57.832 58.000 -0.012 0.000 1.427 459 F CB -0.268 38.727 39.000 -0.009 0.000 1.079 459 F HN 0.182 nan 8.300 nan 0.000 0.536 460 I N -1.049 119.622 120.570 0.168 0.000 2.179 460 I HA -0.310 3.860 4.170 -0.000 0.000 0.242 460 I C 2.360 178.523 176.117 0.077 0.000 1.088 460 I CA 1.327 62.690 61.300 0.104 0.000 1.357 460 I CB -0.689 37.352 38.000 0.069 0.000 1.051 460 I HN -0.035 nan 8.210 nan 0.000 0.409 461 S N 0.959 116.692 115.700 0.054 0.000 2.383 461 S HA -0.192 4.278 4.470 -0.000 0.000 0.229 461 S C 1.920 176.551 174.600 0.051 0.000 1.030 461 S CA 1.285 59.520 58.200 0.059 0.000 1.002 461 S CB -0.457 62.778 63.200 0.059 0.000 0.829 461 S HN 0.326 nan 8.310 nan 0.000 0.467 462 L N 1.950 123.173 121.223 0.000 0.000 2.042 462 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 462 L C 2.201 179.084 176.870 0.022 0.000 1.076 462 L CA 1.952 56.768 54.840 -0.040 0.000 0.749 462 L CB -1.429 40.524 42.059 -0.177 0.000 0.893 462 L HN 0.193 nan 8.230 nan 0.000 0.432 463 T N 0.059 114.647 114.554 0.057 0.000 2.684 463 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 463 T C 1.935 176.707 174.700 0.119 0.000 1.036 463 T CA 1.520 63.669 62.100 0.081 0.000 1.148 463 T CB -0.677 68.248 68.868 0.095 0.000 0.863 463 T HN 0.563 nan 8.240 nan 0.000 0.436 464 A N 1.180 124.086 122.820 0.142 0.000 1.940 464 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 464 A C 2.649 180.422 177.584 0.315 0.000 1.176 464 A CA 1.920 54.099 52.037 0.235 0.000 0.631 464 A CB -1.046 18.037 19.000 0.139 0.000 0.814 464 A HN 0.484 nan 8.150 nan 0.000 0.446 465 V N -1.500 118.531 119.914 0.196 0.000 2.719 465 V HA -0.164 3.956 4.120 -0.000 0.000 0.252 465 V C 2.124 178.276 176.094 0.097 0.000 1.065 465 V CA 2.124 64.521 62.300 0.163 0.000 1.086 465 V CB -0.561 31.320 31.823 0.097 0.000 0.700 465 V HN 0.538 nan 8.190 nan 0.000 0.467 466 M N -0.470 119.175 119.600 0.076 0.000 2.099 466 M HA -0.061 4.419 4.480 -0.000 0.000 0.262 466 M C 2.311 178.648 176.300 0.063 0.000 1.067 466 M CA 2.091 57.416 55.300 0.042 0.000 1.124 466 M CB -0.491 32.119 32.600 0.016 0.000 1.353 466 M HN 0.360 nan 8.290 nan 0.000 0.410 467 L N 0.292 121.573 121.223 0.098 0.000 2.043 467 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 467 L C 2.678 179.605 176.870 0.095 0.000 1.075 467 L CA 1.586 56.496 54.840 0.117 0.000 0.752 467 L CB -0.357 41.828 42.059 0.211 0.000 0.891 467 L HN 0.426 nan 8.230 nan 0.000 0.432 468 M N -1.027 118.580 119.600 0.013 0.000 2.159 468 M HA -0.203 4.277 4.480 -0.000 0.000 0.263 468 M C 2.061 178.320 176.300 -0.067 0.000 1.063 468 M CA 1.611 56.795 55.300 -0.195 0.000 1.110 468 M CB -0.016 32.408 32.600 -0.294 0.000 1.374 468 M HN 0.097 nan 8.290 nan 0.000 0.411 469 V N 0.720 120.644 119.914 0.017 0.000 2.332 469 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 469 V C 2.170 178.336 176.094 0.120 0.000 1.055 469 V CA 2.138 64.474 62.300 0.060 0.000 1.038 469 V CB -1.091 30.769 31.823 0.061 0.000 0.651 469 V HN 0.612 nan 8.190 nan 0.000 0.450 470 F N 0.796 120.723 119.950 -0.037 0.000 2.102 470 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 470 F C 2.139 177.955 175.800 0.028 0.000 1.105 470 F CA 1.578 59.567 58.000 -0.018 0.000 1.239 470 F CB -0.406 38.491 39.000 -0.171 0.000 0.991 470 F HN 0.070 nan 8.300 nan 0.000 0.474 471 I N 0.380 120.749 120.570 -0.334 0.000 2.248 471 I HA -0.346 3.824 4.170 -0.000 0.000 0.248 471 I C 2.398 178.320 176.117 -0.325 0.000 1.107 471 I CA 1.685 62.719 61.300 -0.444 0.000 1.373 471 I CB -0.580 37.289 38.000 -0.218 0.000 1.055 471 I HN 0.225 nan 8.210 nan 0.000 0.418 472 I N -0.815 119.663 120.570 -0.154 0.000 2.353 472 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 472 I C 2.431 178.602 176.117 0.089 0.000 1.119 472 I CA 1.122 62.380 61.300 -0.070 0.000 1.417 472 I CB -0.363 37.708 38.000 0.118 0.000 1.078 472 I HN 0.386 nan 8.210 nan 0.000 0.421 473 W N 2.837 124.094 121.300 -0.073 0.000 2.353 473 W HA -0.309 4.351 4.660 -0.000 0.000 0.319 473 W C 2.553 179.012 176.519 -0.099 0.000 1.207 473 W CA 2.236 59.579 57.345 -0.004 0.000 1.291 473 W CB -0.291 29.155 29.460 -0.024 0.000 1.159 473 W HN 0.229 nan 8.180 nan 0.000 0.478 474 E N 1.124 121.085 120.200 -0.398 0.000 2.130 474 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 474 E C 1.935 178.246 176.600 -0.482 0.000 0.998 474 E CA 2.554 58.558 56.400 -0.661 0.000 0.806 474 E CB -1.145 28.169 29.700 -0.644 0.000 0.738 474 E HN 0.240 nan 8.360 nan 0.000 0.459 475 A N -0.250 122.357 122.820 -0.355 0.000 1.902 475 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 475 A C 2.047 179.431 177.584 -0.334 0.000 1.181 475 A CA 1.409 53.276 52.037 -0.284 0.000 0.623 475 A CB -0.878 17.966 19.000 -0.259 0.000 0.818 475 A HN 0.347 nan 8.150 nan 0.000 0.443 476 F N -0.045 119.787 119.950 -0.196 0.000 2.259 476 F HA 0.058 4.585 4.527 -0.000 0.000 0.298 476 F C 2.684 178.220 175.800 -0.439 0.000 1.088 476 F CA 0.529 58.390 58.000 -0.232 0.000 1.358 476 F CB -0.448 38.532 39.000 -0.034 0.000 1.040 476 F HN 0.259 nan 8.300 nan 0.000 0.505 477 A N -1.030 121.521 122.820 -0.449 0.000 1.897 477 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 477 A C 2.378 179.714 177.584 -0.413 0.000 1.181 477 A CA 1.863 53.546 52.037 -0.591 0.000 0.620 477 A CB -0.913 17.326 19.000 -1.269 0.000 0.821 477 A HN 0.266 nan 8.150 nan 0.000 0.443 478 S N -0.788 114.672 115.700 -0.399 0.000 2.395 478 S HA 0.019 4.489 4.470 -0.000 0.000 0.225 478 S C 0.435 174.866 174.600 -0.282 0.000 1.027 478 S CA 0.755 58.791 58.200 -0.274 0.000 0.965 478 S CB -0.173 62.903 63.200 -0.208 0.000 0.812 478 S HN 0.572 nan 8.310 nan 0.000 0.482 479 K N 1.094 121.211 120.400 -0.471 0.000 3.585 479 K HA -0.155 4.165 4.320 -0.000 0.000 0.275 479 K C -1.098 175.359 176.600 -0.238 0.000 1.026 479 K CA 0.286 56.182 56.287 -0.651 0.000 0.800 479 K CB -1.140 31.094 32.500 -0.443 0.000 1.401 479 K HN 0.389 nan 8.250 nan 0.000 0.453 480 R N 1.722 122.157 120.500 -0.109 0.000 2.230 480 R HA 0.177 4.517 4.340 -0.000 0.000 0.337 480 R C -0.027 176.396 176.300 0.205 0.000 1.063 480 R CA -0.495 55.633 56.100 0.046 0.000 0.935 480 R CB 0.727 31.046 30.300 0.032 0.000 1.121 480 R HN 0.261 nan 8.270 nan 0.000 0.486 481 E N 1.484 121.822 120.200 0.231 0.000 2.392 481 E HA 0.110 4.460 4.350 -0.000 0.000 0.259 481 E C -0.124 176.541 176.600 0.109 0.000 1.108 481 E CA -0.472 56.062 56.400 0.224 0.000 0.916 481 E CB 1.109 30.910 29.700 0.169 0.000 0.989 481 E HN 0.164 nan 8.360 nan 0.000 0.432 482 V N 3.270 123.222 119.914 0.063 0.000 2.649 482 V HA 0.012 4.132 4.120 -0.000 0.000 0.292 482 V C 1.006 177.119 176.094 0.032 0.000 1.055 482 V CA 0.261 62.585 62.300 0.040 0.000 1.023 482 V CB 0.923 32.766 31.823 0.032 0.000 0.992 482 V HN 0.644 nan 8.190 nan 0.000 0.480 483 L N 2.601 123.837 121.223 0.022 0.000 2.416 483 L HA 0.246 4.586 4.340 -0.000 0.000 0.188 483 L C 1.017 177.892 176.870 0.008 0.000 1.145 483 L CA 0.672 55.522 54.840 0.017 0.000 0.826 483 L CB 0.309 42.376 42.059 0.013 0.000 1.064 483 L HN 0.827 nan 8.230 nan 0.000 0.490 484 T N -1.740 112.809 114.554 -0.009 0.000 2.908 484 T HA 0.683 5.033 4.350 -0.000 0.000 0.290 484 T C -0.688 173.971 174.700 -0.069 0.000 1.034 484 T CA -0.610 61.475 62.100 -0.025 0.000 1.010 484 T CB 2.403 71.256 68.868 -0.025 0.000 1.068 484 T HN -0.149 nan 8.240 nan 0.000 0.481 485 V N 1.896 121.750 119.914 -0.100 0.000 2.680 485 V HA 0.456 4.576 4.120 -0.000 0.000 0.309 485 V C -0.538 175.439 176.094 -0.194 0.000 1.052 485 V CA -0.916 61.247 62.300 -0.229 0.000 0.908 485 V CB 1.890 33.489 31.823 -0.372 0.000 1.001 485 V HN 0.975 nan 8.190 nan 0.000 0.431 486 D N 2.315 122.589 120.400 -0.210 0.000 2.329 486 D HA 0.554 5.194 4.640 -0.000 0.000 0.246 486 D C 0.614 176.789 176.300 -0.209 0.000 1.111 486 D CA -0.099 53.779 54.000 -0.204 0.000 0.941 486 D CB 0.593 41.223 40.800 -0.282 0.000 1.169 486 D HN 0.513 nan 8.370 nan 0.000 0.441 487 L N 0.298 121.404 121.223 -0.194 0.000 3.678 487 L HA -0.281 4.059 4.340 -0.000 0.000 0.425 487 L C 1.490 178.371 176.870 0.018 0.000 1.240 487 L CA 0.557 55.316 54.840 -0.136 0.000 0.876 487 L CB -2.163 39.703 42.059 -0.323 0.000 1.766 487 L HN 0.620 nan 8.230 nan 0.000 0.917 488 T N -5.902 108.672 114.554 0.034 0.000 2.995 488 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 488 T C 1.783 176.570 174.700 0.145 0.000 1.091 488 T CA 1.225 63.404 62.100 0.132 0.000 1.128 488 T CB -0.350 68.593 68.868 0.124 0.000 0.891 488 T HN 0.621 nan 8.240 nan 0.000 0.492 489 T N 1.223 115.830 114.554 0.089 0.000 2.803 489 T HA -0.133 4.217 4.350 -0.000 0.000 0.269 489 T C 1.863 176.626 174.700 0.105 0.000 1.052 489 T CA 1.667 63.819 62.100 0.085 0.000 1.136 489 T CB -1.087 67.809 68.868 0.047 0.000 0.864 489 T HN 0.646 nan 8.240 nan 0.000 0.467 490 T N -1.324 113.299 114.554 0.115 0.000 3.174 490 T HA 0.327 4.677 4.350 -0.000 0.000 0.269 490 T C 0.262 175.087 174.700 0.210 0.000 1.017 490 T CA -0.780 61.397 62.100 0.129 0.000 0.899 490 T CB -0.066 68.850 68.868 0.080 0.000 1.077 490 T HN 0.278 nan 8.240 nan 0.000 0.552 491 N N 1.416 120.284 118.700 0.281 0.000 2.726 491 N HA 0.249 4.989 4.740 -0.000 0.000 0.253 491 N C 0.715 176.497 175.510 0.454 0.000 1.530 491 N CA -0.223 53.086 53.050 0.431 0.000 0.772 491 N CB 1.347 40.185 38.487 0.586 0.000 1.220 491 N HN 0.135 nan 8.380 nan 0.000 0.508 492 L N 1.240 122.666 121.223 0.339 0.000 2.103 492 L HA -0.234 4.106 4.340 -0.000 0.000 0.215 492 L C 2.496 179.563 176.870 0.328 0.000 1.080 492 L CA 1.853 56.881 54.840 0.314 0.000 0.764 492 L CB 0.102 42.315 42.059 0.256 0.000 0.890 492 L HN 0.478 nan 8.230 nan 0.000 0.435 493 E N -0.872 119.492 120.200 0.273 0.000 2.267 493 E HA -0.276 4.074 4.350 -0.000 0.000 0.197 493 E C 1.720 178.354 176.600 0.057 0.000 0.998 493 E CA 1.598 58.075 56.400 0.128 0.000 0.830 493 E CB -0.678 28.998 29.700 -0.041 0.000 0.751 493 E HN 0.654 nan 8.360 nan 0.000 0.491 494 W N 0.980 122.393 121.300 0.188 0.000 2.737 494 W HA 0.292 4.952 4.660 -0.000 0.000 0.262 494 W C 2.236 178.815 176.519 0.101 0.000 1.282 494 W CA -0.284 57.133 57.345 0.120 0.000 1.386 494 W CB -0.195 29.320 29.460 0.092 0.000 1.099 494 W HN -0.057 nan 8.180 nan 0.000 0.621 495 L N 1.034 122.453 121.223 0.326 0.000 2.351 495 L HA -0.227 4.113 4.340 -0.000 0.000 0.220 495 L C 1.287 178.230 176.870 0.120 0.000 1.127 495 L CA 1.075 56.041 54.840 0.210 0.000 0.786 495 L CB -0.449 41.730 42.059 0.200 0.000 0.914 495 L HN 0.144 nan 8.230 nan 0.000 0.443 496 N N 0.024 118.781 118.700 0.095 0.000 2.268 496 N HA 0.124 4.864 4.740 -0.000 0.000 0.204 496 N C 0.705 176.247 175.510 0.054 0.000 1.124 496 N CA 0.731 53.791 53.050 0.017 0.000 0.838 496 N CB 0.791 39.233 38.487 -0.075 0.000 0.994 496 N HN 0.360 nan 8.380 nan 0.000 0.489 497 G N 0.617 109.482 108.800 0.107 0.000 2.795 497 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.664 497 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.664 497 G C -0.698 174.263 174.900 0.102 0.000 1.381 497 G CA -0.791 44.370 45.100 0.102 0.000 0.853 497 G HN 0.296 nan 8.290 nan 0.000 0.545 498 C N 2.441 121.787 119.300 0.078 0.000 2.322 498 C HA 0.751 5.211 4.460 -0.000 0.000 0.324 498 C C -1.379 173.591 174.990 -0.034 0.000 1.249 498 C CA -0.987 58.048 59.018 0.029 0.000 1.453 498 C CB 1.179 28.949 27.740 0.050 0.000 2.145 498 C HN 0.844 nan 8.230 nan 0.000 0.466 499 P HA 0.423 nan 4.420 nan 0.000 0.282 499 P C -2.651 174.697 177.300 0.081 0.000 1.259 499 P CA -1.394 61.728 63.100 0.037 0.000 0.826 499 P CB 0.571 32.316 31.700 0.075 0.000 1.064 500 P HA 0.185 nan 4.420 nan 0.000 0.272 500 P C -2.251 175.081 177.300 0.054 0.000 1.223 500 P CA -1.273 61.881 63.100 0.090 0.000 0.784 500 P CB -0.887 30.893 31.700 0.132 0.000 0.923 501 P HA -0.057 nan 4.420 nan 0.000 0.271 501 P C 0.771 178.067 177.300 -0.006 0.000 1.233 501 P CA -0.050 63.064 63.100 0.024 0.000 0.789 501 P CB 0.452 32.166 31.700 0.024 0.000 0.951 502 Y N 1.352 121.558 120.300 -0.156 0.000 2.102 502 Y HA -0.232 4.318 4.550 -0.000 0.000 0.280 502 Y C 0.993 176.680 175.900 -0.355 0.000 1.178 502 Y CA 1.877 59.788 58.100 -0.314 0.000 1.146 502 Y CB -0.645 37.596 38.460 -0.366 0.000 0.968 502 Y HN 0.425 nan 8.280 nan 0.000 0.504 503 H N -0.309 118.779 119.070 0.030 0.000 2.541 503 H HA 0.361 4.917 4.556 -0.000 0.000 0.316 503 H C -0.189 175.120 175.328 -0.033 0.000 1.043 503 H CA -0.296 55.740 56.048 -0.021 0.000 1.232 503 H CB 0.878 30.667 29.762 0.046 0.000 1.406 503 H HN 0.043 nan 8.280 nan 0.000 0.469 504 T N -0.118 114.498 114.554 0.103 0.000 2.940 504 T HA 0.289 4.639 4.350 -0.000 0.000 0.288 504 T C -0.002 174.716 174.700 0.030 0.000 1.033 504 T CA -0.908 61.151 62.100 -0.069 0.000 1.033 504 T CB 0.885 69.700 68.868 -0.088 0.000 1.079 504 T HN 0.567 nan 8.240 nan 0.000 0.496 505 F N -1.104 118.882 119.950 0.061 0.000 3.090 505 F HA -0.193 4.334 4.527 -0.000 0.000 0.282 505 F C 1.355 177.166 175.800 0.018 0.000 0.923 505 F CA 0.582 58.604 58.000 0.037 0.000 0.977 505 F CB -2.404 36.610 39.000 0.023 0.000 0.954 505 F HN 0.838 nan 8.300 nan 0.000 0.695 506 E N 0.528 120.776 120.200 0.080 0.000 2.153 506 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 506 E C 1.054 177.681 176.600 0.045 0.000 0.988 506 E CA 1.402 57.822 56.400 0.033 0.000 0.811 506 E CB 0.163 29.862 29.700 -0.001 0.000 0.746 506 E HN 0.618 nan 8.360 nan 0.000 0.466 507 E N 0.499 120.739 120.200 0.068 0.000 2.165 507 E HA 0.244 4.594 4.350 -0.000 0.000 0.266 507 E C -2.517 174.169 176.600 0.143 0.000 0.889 507 E CA -2.745 53.701 56.400 0.076 0.000 0.756 507 E CB 1.329 31.062 29.700 0.055 0.000 1.131 507 E HN -0.131 nan 8.360 nan 0.000 0.411 508 P HA -0.026 nan 4.420 nan 0.000 0.270 508 P C -0.369 177.054 177.300 0.204 0.000 1.227 508 P CA -0.135 63.065 63.100 0.167 0.000 0.788 508 P CB 0.415 32.164 31.700 0.081 0.000 0.926 509 T N -1.509 113.170 114.554 0.208 0.000 2.726 509 T HA 0.203 4.553 4.350 -0.000 0.000 0.294 509 T C -0.742 174.067 174.700 0.181 0.000 1.013 509 T CA -0.165 62.063 62.100 0.214 0.000 0.996 509 T CB 0.146 69.112 68.868 0.163 0.000 1.016 509 T HN 0.339 nan 8.240 nan 0.000 0.529 510 Y N 0.328 120.667 120.300 0.064 0.000 2.328 510 Y HA 0.567 5.117 4.550 -0.000 0.000 0.333 510 Y C -1.478 174.442 175.900 0.034 0.000 0.958 510 Y CA -1.110 57.015 58.100 0.041 0.000 1.167 510 Y CB 1.097 39.581 38.460 0.039 0.000 1.151 510 Y HN 0.578 nan 8.280 nan 0.000 0.470 511 V N 6.423 126.114 119.914 -0.371 0.000 2.482 511 V HA 0.282 4.402 4.120 -0.000 0.000 0.295 511 V C -0.450 175.411 176.094 -0.387 0.000 1.026 511 V CA -1.190 60.960 62.300 -0.250 0.000 0.856 511 V CB 1.549 33.306 31.823 -0.111 0.000 1.001 511 V HN 0.859 nan 8.190 nan 0.000 0.424 512 N N 2.418 120.939 118.700 -0.297 0.000 2.479 512 N HA 0.283 5.023 4.740 -0.000 0.000 0.257 512 N C -0.567 174.873 175.510 -0.117 0.000 1.232 512 N CA -0.571 52.353 53.050 -0.210 0.000 0.920 512 N CB 0.925 39.389 38.487 -0.038 0.000 1.105 512 N HN 0.482 nan 8.380 nan 0.000 0.444 513 L N 3.460 124.627 121.223 -0.094 0.000 2.397 513 L HA 0.211 4.551 4.340 -0.000 0.000 0.263 513 L C 0.083 176.938 176.870 -0.025 0.000 1.136 513 L CA -0.061 54.747 54.840 -0.054 0.000 1.019 513 L CB -0.553 41.476 42.059 -0.051 0.000 1.352 513 L HN 0.388 nan 8.230 nan 0.000 0.420 514 K N 0.000 120.391 120.400 -0.014 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.288 56.287 0.001 0.000 0.838 514 K CB 0.000 32.504 32.500 0.007 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543