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 3cx5_1_B DATA FIRST_RESID 17 DATA SEQUENCE LTVSARDAPT KISTLAVKVH GGSRYATKDG VAHLLNRFNF QNTNTRSALK DATA SEQUENCE LVRESELLGG TFKSTLDREY ITLKATFLKD DLPYYVNALA DVLYKTAFKP DATA SEQUENCE HELTESVLPA ARYDYAVAEQ CPVKSAEDQL YAITFRKGLG NPLLYDGVER DATA SEQUENCE VSLQDIKDFA DKVYTKENLE VSGENVVEAD LKRFVDESLL STLPAGKSLV DATA SEQUENCE SKSEPKFFLG EENRVRFIGD SVAAIGIPVN KASLAQYEVL ANYLTSALSE DATA SEQUENCE LSGLISSAKL DKFTDGGLFT LFVRDQDSAV VSSNIKKIVA DLKKGKDLSP DATA SEQUENCE AINYTKLKNA VQNESVSSPI ELNFDAVKDF KLGKFNYVAV GDVSNLPYLD DATA SEQUENCE EL 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 17 L HA 0.000 nan 4.340 nan 0.000 0.249 17 L C 0.000 176.897 176.870 0.045 0.000 1.165 17 L CA 0.000 54.867 54.840 0.045 0.000 0.813 17 L CB 0.000 42.079 42.059 0.033 0.000 0.961 18 T N 1.551 116.140 114.554 0.057 0.000 2.834 18 T HA 0.589 4.939 4.350 0.000 0.000 0.298 18 T C -0.077 174.652 174.700 0.048 0.000 0.966 18 T CA 0.008 62.140 62.100 0.054 0.000 1.141 18 T CB 1.099 70.009 68.868 0.070 0.000 0.905 18 T HN 0.221 nan 8.240 nan 0.000 0.535 19 V N 4.109 124.047 119.914 0.040 0.000 2.447 19 V HA 0.620 4.740 4.120 0.000 0.000 0.292 19 V C -0.146 175.969 176.094 0.034 0.000 1.021 19 V CA -0.821 61.502 62.300 0.039 0.000 0.850 19 V CB 1.506 33.350 31.823 0.036 0.000 1.005 19 V HN 1.066 nan 8.190 nan 0.000 0.426 20 S N 3.254 118.975 115.700 0.036 0.000 2.569 20 S HA 1.011 5.481 4.470 0.000 0.000 0.280 20 S C -0.662 173.956 174.600 0.031 0.000 1.111 20 S CA -0.310 57.907 58.200 0.030 0.000 0.887 20 S CB 2.631 65.848 63.200 0.028 0.000 1.095 20 S HN 1.688 nan 8.310 nan 0.000 0.476 21 A N 1.103 123.939 122.820 0.026 0.000 2.605 21 A HA 0.827 5.147 4.320 0.000 0.000 0.294 21 A C -1.079 176.515 177.584 0.017 0.000 1.062 21 A CA -0.888 51.164 52.037 0.026 0.000 0.682 21 A CB 1.529 20.554 19.000 0.041 0.000 1.278 21 A HN 1.027 nan 8.150 nan 0.000 0.410 22 R N 1.319 121.824 120.500 0.009 0.000 2.480 22 R HA 0.533 4.873 4.340 0.000 0.000 0.306 22 R C -1.422 174.877 176.300 -0.001 0.000 0.958 22 R CA -0.374 55.728 56.100 0.003 0.000 0.861 22 R CB 1.299 31.597 30.300 -0.003 0.000 1.171 22 R HN 0.792 nan 8.270 nan 0.000 0.445 23 D N 2.240 122.640 120.400 0.001 0.000 2.340 23 D HA 0.717 5.358 4.640 0.000 0.000 0.251 23 D C -1.362 174.933 176.300 -0.009 0.000 1.080 23 D CA -0.022 53.977 54.000 -0.001 0.000 0.971 23 D CB 1.904 42.708 40.800 0.008 0.000 1.137 23 D HN 0.696 nan 8.370 nan 0.000 0.475 24 A N 1.492 124.304 122.820 -0.013 0.000 2.599 24 A HA 0.483 4.803 4.320 0.000 0.000 0.294 24 A C -2.739 174.835 177.584 -0.018 0.000 1.055 24 A CA -1.076 50.951 52.037 -0.017 0.000 0.683 24 A CB 1.760 20.744 19.000 -0.027 0.000 1.278 24 A HN 0.484 nan 8.150 nan 0.000 0.412 25 P HA 0.205 nan 4.420 nan 0.000 0.225 25 P C 0.055 177.342 177.300 -0.023 0.000 1.813 25 P CA 0.457 63.548 63.100 -0.014 0.000 1.013 25 P CB -0.412 31.282 31.700 -0.010 0.000 1.961 26 T N -1.357 113.177 114.554 -0.032 0.000 2.905 26 T HA 0.433 4.783 4.350 0.000 0.000 0.283 26 T C 1.054 175.725 174.700 -0.048 0.000 1.031 26 T CA -0.704 61.369 62.100 -0.045 0.000 1.002 26 T CB 1.789 70.619 68.868 -0.063 0.000 1.200 26 T HN -0.150 nan 8.240 nan 0.000 0.560 27 K N -0.538 119.826 120.400 -0.059 0.000 2.276 27 K HA 0.313 4.633 4.320 0.000 0.000 0.198 27 K C 0.407 176.950 176.600 -0.095 0.000 1.052 27 K CA 0.376 56.628 56.287 -0.058 0.000 0.984 27 K CB 0.178 32.648 32.500 -0.051 0.000 0.836 27 K HN 0.508 nan 8.250 nan 0.000 0.490 28 I N 1.318 121.806 120.570 -0.136 0.000 2.460 28 I HA 0.230 4.400 4.170 0.000 0.000 0.298 28 I C 0.012 175.945 176.117 -0.307 0.000 0.989 28 I CA -0.446 60.717 61.300 -0.228 0.000 1.173 28 I CB 1.672 39.549 38.000 -0.205 0.000 1.338 28 I HN -0.178 nan 8.210 nan 0.000 0.456 29 S N 2.835 118.200 115.700 -0.559 0.000 2.599 29 S HA 0.670 5.140 4.470 0.000 0.000 0.294 29 S C -0.249 173.807 174.600 -0.906 0.000 1.094 29 S CA -0.579 57.231 58.200 -0.650 0.000 0.931 29 S CB 2.601 65.410 63.200 -0.652 0.000 1.093 29 S HN 0.703 nan 8.310 nan 0.000 0.488 30 T N 1.446 115.685 114.554 -0.526 0.000 2.893 30 T HA 0.701 5.051 4.350 0.000 0.000 0.293 30 T C -1.821 172.817 174.700 -0.103 0.000 1.027 30 T CA -0.532 61.363 62.100 -0.343 0.000 0.988 30 T CB 0.940 69.689 68.868 -0.198 0.000 1.043 30 T HN 0.402 nan 8.240 nan 0.000 0.461 31 L N 4.140 125.410 121.223 0.078 0.000 2.410 31 L HA 0.928 5.268 4.340 0.000 0.000 0.270 31 L C -0.978 175.980 176.870 0.146 0.000 0.983 31 L CA -0.348 54.603 54.840 0.185 0.000 0.822 31 L CB 1.549 43.832 42.059 0.375 0.000 1.285 31 L HN 0.843 nan 8.230 nan 0.000 0.409 32 A N 4.295 127.174 122.820 0.098 0.000 2.393 32 A HA 0.807 5.127 4.320 0.000 0.000 0.306 32 A C -1.513 176.104 177.584 0.056 0.000 1.050 32 A CA -0.541 51.540 52.037 0.073 0.000 0.724 32 A CB 1.909 20.916 19.000 0.013 0.000 1.248 32 A HN 0.491 nan 8.150 nan 0.000 0.424 33 V N 4.290 124.239 119.914 0.059 0.000 2.266 33 V HA 0.222 4.343 4.120 0.000 0.000 0.271 33 V C -0.289 175.807 176.094 0.004 0.000 1.032 33 V CA -0.754 61.564 62.300 0.031 0.000 0.806 33 V CB 0.922 32.761 31.823 0.028 0.000 1.052 33 V HN 0.780 nan 8.190 nan 0.000 0.449 34 K N 3.336 123.704 120.400 -0.053 0.000 2.339 34 K HA 0.476 4.796 4.320 0.000 0.000 0.286 34 K C -0.544 176.069 176.600 0.023 0.000 1.050 34 K CA -0.105 56.102 56.287 -0.133 0.000 0.956 34 K CB 1.910 34.158 32.500 -0.421 0.000 0.990 34 K HN 0.388 nan 8.250 nan 0.000 0.475 35 V N 3.912 123.913 119.914 0.144 0.000 2.540 35 V HA 0.118 4.238 4.120 0.000 0.000 0.302 35 V C 0.157 176.346 176.094 0.158 0.000 1.035 35 V CA -0.920 61.478 62.300 0.163 0.000 0.873 35 V CB 1.520 33.485 31.823 0.236 0.000 0.992 35 V HN 0.672 nan 8.190 nan 0.000 0.428 36 H N 4.173 123.324 119.070 0.136 0.000 3.198 36 H HA 0.280 4.836 4.556 0.000 0.000 0.255 36 H C 0.871 176.082 175.328 -0.196 0.000 1.729 36 H CA 0.558 56.565 56.048 -0.068 0.000 1.495 36 H CB 0.441 30.039 29.762 -0.275 0.000 1.807 36 H HN 0.867 nan 8.280 nan 0.000 0.554 37 G N 1.621 110.537 108.800 0.194 0.000 5.021 37 G HA2 0.172 4.133 3.960 0.000 0.000 0.254 37 G HA3 0.172 4.133 3.960 0.000 0.000 0.254 37 G C 0.815 176.018 174.900 0.504 0.000 0.932 37 G CA -0.038 45.218 45.100 0.260 0.000 0.743 37 G HN 0.593 nan 8.290 nan 0.000 0.441 38 G N 0.539 109.629 108.800 0.484 0.000 2.570 38 G HA2 0.354 4.314 3.960 0.000 0.000 0.276 38 G HA3 0.354 4.314 3.960 0.000 0.000 0.276 38 G C 1.525 176.576 174.900 0.253 0.000 1.346 38 G CA 0.685 45.976 45.100 0.319 0.000 1.034 38 G HN 0.679 nan 8.290 nan 0.000 0.512 39 S N -0.868 114.892 115.700 0.100 0.000 2.419 39 S HA -0.201 4.269 4.470 0.000 0.000 0.235 39 S C 2.068 176.633 174.600 -0.057 0.000 1.019 39 S CA 1.359 59.565 58.200 0.011 0.000 0.982 39 S CB -0.321 62.856 63.200 -0.038 0.000 0.789 39 S HN 0.617 nan 8.310 nan 0.000 0.490 40 R N 0.443 120.838 120.500 -0.175 0.000 2.159 40 R HA -0.100 4.240 4.340 0.000 0.000 0.237 40 R C 0.957 177.024 176.300 -0.387 0.000 1.131 40 R CA 1.452 57.320 56.100 -0.386 0.000 0.982 40 R CB -0.298 29.599 30.300 -0.672 0.000 0.868 40 R HN 0.672 nan 8.270 nan 0.000 0.453 41 Y N -0.439 119.919 120.300 0.097 0.000 2.458 41 Y HA 0.338 4.888 4.550 0.000 0.000 0.256 41 Y C 0.821 176.897 175.900 0.294 0.000 1.159 41 Y CA -0.205 58.001 58.100 0.177 0.000 1.261 41 Y CB 0.377 38.956 38.460 0.198 0.000 1.119 41 Y HN 0.013 nan 8.280 nan 0.000 0.524 42 A N 0.692 123.638 122.820 0.209 0.000 2.537 42 A HA 0.044 4.364 4.320 0.000 0.000 0.260 42 A C 1.319 178.877 177.584 -0.043 0.000 1.082 42 A CA 0.576 52.537 52.037 -0.127 0.000 0.765 42 A CB -0.040 18.832 19.000 -0.213 0.000 1.019 42 A HN 0.430 nan 8.150 nan 0.000 0.507 43 T N 2.342 116.868 114.554 -0.046 0.000 2.788 43 T HA -0.040 4.311 4.350 0.000 0.000 0.268 43 T C 0.776 175.456 174.700 -0.034 0.000 1.044 43 T CA 1.632 63.750 62.100 0.030 0.000 1.139 43 T CB -0.118 68.805 68.868 0.092 0.000 0.867 43 T HN 0.724 nan 8.240 nan 0.000 0.454 44 K N 1.112 121.450 120.400 -0.104 0.000 2.435 44 K HA 0.350 4.670 4.320 0.000 0.000 0.251 44 K C -1.696 174.861 176.600 -0.071 0.000 0.954 44 K CA -0.989 55.259 56.287 -0.065 0.000 0.820 44 K CB 1.474 33.942 32.500 -0.053 0.000 1.292 44 K HN -0.130 nan 8.250 nan 0.000 0.436 45 D N 1.059 121.449 120.400 -0.016 0.000 2.502 45 D HA 0.091 4.731 4.640 0.000 0.000 0.249 45 D C 1.205 177.565 176.300 0.099 0.000 1.188 45 D CA 1.723 55.731 54.000 0.013 0.000 0.890 45 D CB 0.412 41.216 40.800 0.006 0.000 1.140 45 D HN 0.817 nan 8.370 nan 0.000 0.505 46 G N 1.278 110.126 108.800 0.080 0.000 2.199 46 G HA2 -0.345 3.615 3.960 0.000 0.000 0.254 46 G HA3 -0.345 3.615 3.960 0.000 0.000 0.254 46 G C 1.266 176.172 174.900 0.009 0.000 0.982 46 G CA 0.219 45.435 45.100 0.193 0.000 0.632 46 G HN 0.451 nan 8.290 nan 0.000 0.529 47 V N 0.745 120.549 119.914 -0.183 0.000 2.490 47 V HA 0.022 4.142 4.120 0.000 0.000 0.250 47 V C 3.173 179.031 176.094 -0.393 0.000 1.061 47 V CA 2.877 64.963 62.300 -0.357 0.000 1.064 47 V CB -1.008 30.497 31.823 -0.529 0.000 0.670 47 V HN 0.961 nan 8.190 nan 0.000 0.461 48 A N -0.313 122.251 122.820 -0.428 0.000 1.930 48 A HA -0.256 4.064 4.320 0.000 0.000 0.217 48 A C 2.196 179.869 177.584 0.148 0.000 1.175 48 A CA 1.986 53.967 52.037 -0.094 0.000 0.627 48 A CB -0.760 18.264 19.000 0.039 0.000 0.815 48 A HN 0.668 nan 8.150 nan 0.000 0.443 49 H N 0.409 119.486 119.070 0.012 0.000 2.321 49 H HA -0.010 4.546 4.556 0.000 0.000 0.300 49 H C 1.730 177.104 175.328 0.078 0.000 1.087 49 H CA 1.943 58.035 56.048 0.073 0.000 1.319 49 H CB -0.479 29.337 29.762 0.091 0.000 1.379 49 H HN 0.360 nan 8.280 nan 0.000 0.501 50 L N -0.460 120.727 121.223 -0.060 0.000 2.083 50 L HA -0.154 4.186 4.340 0.000 0.000 0.209 50 L C 2.565 179.514 176.870 0.132 0.000 1.083 50 L CA 1.026 55.800 54.840 -0.111 0.000 0.752 50 L CB -0.479 41.453 42.059 -0.212 0.000 0.899 50 L HN 0.272 nan 8.230 nan 0.000 0.433 51 L N 0.197 121.529 121.223 0.182 0.000 2.056 51 L HA -0.208 4.132 4.340 0.000 0.000 0.207 51 L C 2.229 179.291 176.870 0.320 0.000 1.078 51 L CA 1.721 56.746 54.840 0.308 0.000 0.749 51 L CB -0.960 41.281 42.059 0.303 0.000 0.901 51 L HN 0.285 nan 8.230 nan 0.000 0.433 52 N N -0.546 118.322 118.700 0.280 0.000 2.149 52 N HA -0.259 4.481 4.740 0.000 0.000 0.188 52 N C 1.937 177.595 175.510 0.247 0.000 1.019 52 N CA 1.047 54.265 53.050 0.279 0.000 0.857 52 N CB 0.041 38.708 38.487 0.299 0.000 0.997 52 N HN 0.196 nan 8.380 nan 0.000 0.426 53 R N -0.136 120.480 120.500 0.193 0.000 2.148 53 R HA 0.088 4.428 4.340 0.000 0.000 0.223 53 R C 1.656 177.998 176.300 0.070 0.000 1.088 53 R CA 0.686 56.850 56.100 0.108 0.000 0.985 53 R CB -0.658 29.625 30.300 -0.029 0.000 0.880 53 R HN 0.280 nan 8.270 nan 0.000 0.451 54 F N 0.281 120.280 119.950 0.082 0.000 2.558 54 F HA 0.086 4.614 4.527 0.000 0.000 0.298 54 F C 0.231 176.009 175.800 -0.036 0.000 1.119 54 F CA 0.149 58.180 58.000 0.051 0.000 1.451 54 F CB 0.096 39.200 39.000 0.174 0.000 1.091 54 F HN 0.006 nan 8.300 nan 0.000 0.563 55 N N 0.358 119.164 118.700 0.176 0.000 2.458 55 N HA 0.046 4.786 4.740 0.000 0.000 0.258 55 N C -0.389 175.078 175.510 -0.072 0.000 1.219 55 N CA 0.357 53.349 53.050 -0.096 0.000 0.902 55 N CB 0.088 38.469 38.487 -0.176 0.000 1.076 55 N HN 0.142 nan 8.380 nan 0.000 0.455 56 F N -1.875 118.060 119.950 -0.024 0.000 2.699 56 F HA -0.277 4.250 4.527 0.000 0.000 0.343 56 F C 0.948 176.704 175.800 -0.073 0.000 0.633 56 F CA 0.208 58.151 58.000 -0.094 0.000 1.365 56 F CB -1.052 37.908 39.000 -0.067 0.000 1.795 56 F HN 0.518 nan 8.300 nan 0.000 0.304 57 Q N 0.709 120.541 119.800 0.053 0.000 2.247 57 Q HA 0.249 4.590 4.340 0.000 0.000 0.184 57 Q C 0.481 176.477 176.000 -0.006 0.000 1.067 57 Q CA -0.320 55.501 55.803 0.030 0.000 1.115 57 Q CB 0.194 28.957 28.738 0.041 0.000 1.147 57 Q HN 0.109 nan 8.270 nan 0.000 0.599 58 N N 1.156 119.855 118.700 -0.002 0.000 2.407 58 N HA 0.000 4.740 4.740 0.000 0.000 0.250 58 N C -0.101 175.360 175.510 -0.081 0.000 1.236 58 N CA 0.370 53.406 53.050 -0.023 0.000 0.879 58 N CB 0.330 38.820 38.487 0.005 0.000 1.088 58 N HN 0.499 nan 8.380 nan 0.000 0.450 59 T N -1.577 112.929 114.554 -0.079 0.000 2.938 59 T HA 0.353 4.704 4.350 0.000 0.000 0.285 59 T C 1.014 175.679 174.700 -0.059 0.000 1.028 59 T CA -0.834 61.206 62.100 -0.100 0.000 1.005 59 T CB 0.973 69.780 68.868 -0.102 0.000 1.157 59 T HN 0.212 nan 8.240 nan 0.000 0.550 60 N N 0.598 119.270 118.700 -0.046 0.000 2.381 60 N HA -0.044 4.696 4.740 0.000 0.000 0.182 60 N C 1.771 177.274 175.510 -0.012 0.000 1.025 60 N CA 1.733 54.771 53.050 -0.019 0.000 0.888 60 N CB -0.367 38.117 38.487 -0.005 0.000 0.965 60 N HN 0.915 nan 8.380 nan 0.000 0.438 61 T N -3.411 111.130 114.554 -0.021 0.000 2.985 61 T HA 0.269 4.619 4.350 0.000 0.000 0.254 61 T C 0.625 175.310 174.700 -0.025 0.000 1.021 61 T CA -0.370 61.718 62.100 -0.020 0.000 0.957 61 T CB 0.763 69.616 68.868 -0.025 0.000 1.047 61 T HN 0.017 nan 8.240 nan 0.000 0.511 62 R N 1.814 122.294 120.500 -0.034 0.000 2.522 62 R HA 0.506 4.847 4.340 0.000 0.000 0.283 62 R C -0.610 175.676 176.300 -0.024 0.000 1.074 62 R CA -0.250 55.832 56.100 -0.030 0.000 0.925 62 R CB 1.659 31.929 30.300 -0.050 0.000 1.205 62 R HN 0.246 nan 8.270 nan 0.000 0.436 63 S N 2.927 118.625 115.700 -0.003 0.000 2.593 63 S HA 0.289 4.759 4.470 0.000 0.000 0.269 63 S C 1.345 175.950 174.600 0.009 0.000 1.334 63 S CA -0.108 58.098 58.200 0.010 0.000 1.015 63 S CB 1.597 64.811 63.200 0.024 0.000 0.912 63 S HN 0.788 nan 8.310 nan 0.000 0.541 64 A N 1.292 124.123 122.820 0.019 0.000 1.933 64 A HA -0.038 4.282 4.320 0.000 0.000 0.218 64 A C 2.017 179.622 177.584 0.035 0.000 1.175 64 A CA 1.563 53.616 52.037 0.027 0.000 0.628 64 A CB -0.988 18.034 19.000 0.037 0.000 0.814 64 A HN 0.965 nan 8.150 nan 0.000 0.444 65 L N -0.126 121.117 121.223 0.034 0.000 2.017 65 L HA -0.113 4.227 4.340 0.000 0.000 0.208 65 L C 2.281 179.174 176.870 0.038 0.000 1.073 65 L CA 2.677 57.537 54.840 0.035 0.000 0.745 65 L CB -0.536 41.541 42.059 0.029 0.000 0.894 65 L HN 0.430 nan 8.230 nan 0.000 0.432 66 K N -0.958 119.462 120.400 0.034 0.000 2.057 66 K HA -0.209 4.111 4.320 0.000 0.000 0.207 66 K C 2.148 178.786 176.600 0.063 0.000 1.049 66 K CA 1.664 57.974 56.287 0.039 0.000 0.931 66 K CB -0.309 32.208 32.500 0.029 0.000 0.714 66 K HN 0.310 nan 8.250 nan 0.000 0.440 67 L N 0.788 122.045 121.223 0.056 0.000 2.012 67 L HA -0.165 4.175 4.340 0.000 0.000 0.210 67 L C 1.972 178.937 176.870 0.158 0.000 1.073 67 L CA 1.514 56.405 54.840 0.085 0.000 0.748 67 L CB -0.451 41.594 42.059 -0.023 0.000 0.891 67 L HN 0.005 nan 8.230 nan 0.000 0.431 68 V N -0.002 119.981 119.914 0.115 0.000 2.295 68 V HA -0.234 3.887 4.120 0.000 0.000 0.246 68 V C 2.804 178.958 176.094 0.100 0.000 1.049 68 V CA 1.776 64.153 62.300 0.127 0.000 1.024 68 V CB -0.742 31.131 31.823 0.084 0.000 0.648 68 V HN 0.437 nan 8.190 nan 0.000 0.447 69 R N -0.081 120.460 120.500 0.068 0.000 2.096 69 R HA -0.148 4.192 4.340 0.000 0.000 0.235 69 R C 2.167 178.487 176.300 0.034 0.000 1.127 69 R CA 1.428 57.554 56.100 0.043 0.000 0.968 69 R CB -0.568 29.750 30.300 0.030 0.000 0.861 69 R HN 0.630 nan 8.270 nan 0.000 0.440 70 E N 0.791 121.021 120.200 0.049 0.000 2.047 70 E HA -0.130 4.220 4.350 0.000 0.000 0.191 70 E C 1.876 178.442 176.600 -0.056 0.000 0.987 70 E CA 1.646 58.050 56.400 0.007 0.000 0.799 70 E CB 0.115 29.860 29.700 0.076 0.000 0.752 70 E HN 0.349 nan 8.360 nan 0.000 0.449 71 S N 0.235 115.971 115.700 0.059 0.000 2.423 71 S HA -0.137 4.334 4.470 0.000 0.000 0.231 71 S C 1.679 176.307 174.600 0.046 0.000 1.014 71 S CA 0.904 59.144 58.200 0.066 0.000 0.965 71 S CB -0.188 63.232 63.200 0.366 0.000 0.785 71 S HN 0.252 nan 8.310 nan 0.000 0.495 72 E N 0.760 120.985 120.200 0.042 0.000 2.072 72 E HA -0.020 4.331 4.350 0.000 0.000 0.191 72 E C 1.779 178.376 176.600 -0.006 0.000 0.985 72 E CA 0.845 57.258 56.400 0.021 0.000 0.801 72 E CB -0.184 29.529 29.700 0.022 0.000 0.750 72 E HN 0.319 nan 8.360 nan 0.000 0.452 73 L N 0.664 121.873 121.223 -0.023 0.000 2.131 73 L HA -0.136 4.204 4.340 0.000 0.000 0.210 73 L C 2.164 179.002 176.870 -0.053 0.000 1.092 73 L CA 1.410 56.227 54.840 -0.038 0.000 0.759 73 L CB -0.787 41.244 42.059 -0.046 0.000 0.903 73 L HN 0.210 nan 8.230 nan 0.000 0.435 74 L N -0.964 120.211 121.223 -0.080 0.000 2.131 74 L HA 0.097 4.438 4.340 0.000 0.000 0.206 74 L C 1.132 178.002 176.870 -0.000 0.000 1.087 74 L CA 0.859 55.653 54.840 -0.078 0.000 0.767 74 L CB -0.327 41.621 42.059 -0.185 0.000 0.917 74 L HN 0.483 nan 8.230 nan 0.000 0.441 75 G N 0.023 108.833 108.800 0.016 0.000 2.618 75 G HA2 0.047 4.008 3.960 0.000 0.000 0.180 75 G HA3 0.047 4.008 3.960 0.000 0.000 0.180 75 G C -0.066 174.840 174.900 0.011 0.000 1.092 75 G CA -0.382 44.724 45.100 0.011 0.000 0.856 75 G HN 0.565 nan 8.290 nan 0.000 0.496 76 G N -0.897 107.919 108.800 0.026 0.000 2.704 76 G HA2 1.051 5.011 3.960 0.000 0.000 0.293 76 G HA3 1.051 5.011 3.960 0.000 0.000 0.293 76 G C -0.462 174.370 174.900 -0.114 0.000 1.421 76 G CA 0.590 45.645 45.100 -0.074 0.000 0.870 76 G HN 1.585 nan 8.290 nan 0.000 0.492 77 T N -1.699 112.703 114.554 -0.254 0.000 2.906 77 T HA 0.795 5.145 4.350 0.000 0.000 0.295 77 T C -1.066 173.369 174.700 -0.442 0.000 1.061 77 T CA -0.748 61.211 62.100 -0.235 0.000 1.000 77 T CB 1.815 70.618 68.868 -0.108 0.000 1.103 77 T HN 0.295 nan 8.240 nan 0.000 0.486 78 F N 0.684 120.523 119.950 -0.185 0.000 2.538 78 F HA 0.857 5.385 4.527 0.000 0.000 0.325 78 F C 0.214 175.764 175.800 -0.417 0.000 1.066 78 F CA -0.851 56.868 58.000 -0.469 0.000 0.946 78 F CB 2.285 40.583 39.000 -1.171 0.000 1.199 78 F HN 0.704 nan 8.300 nan 0.000 0.473 79 K N 0.674 121.015 120.400 -0.097 0.000 2.572 79 K HA 0.507 4.828 4.320 0.000 0.000 0.263 79 K C -1.718 175.093 176.600 0.351 0.000 0.932 79 K CA -0.436 55.912 56.287 0.102 0.000 0.838 79 K CB 2.099 34.648 32.500 0.081 0.000 1.366 79 K HN 0.475 nan 8.250 nan 0.000 0.425 80 S N 2.131 118.075 115.700 0.407 0.000 2.552 80 S HA 0.668 5.138 4.470 0.000 0.000 0.314 80 S C -1.192 173.566 174.600 0.263 0.000 1.099 80 S CA -0.350 58.089 58.200 0.399 0.000 1.070 80 S CB 0.868 64.319 63.200 0.418 0.000 0.998 80 S HN 0.558 nan 8.310 nan 0.000 0.474 81 T N 4.902 119.585 114.554 0.215 0.000 2.855 81 T HA 0.578 4.928 4.350 0.000 0.000 0.281 81 T C -0.943 173.863 174.700 0.177 0.000 1.007 81 T CA -0.456 61.745 62.100 0.169 0.000 1.009 81 T CB 1.280 70.222 68.868 0.124 0.000 0.983 81 T HN 0.558 nan 8.240 nan 0.000 0.455 82 L N 3.582 124.900 121.223 0.158 0.000 2.346 82 L HA 0.789 5.129 4.340 0.000 0.000 0.276 82 L C -0.955 175.984 176.870 0.115 0.000 1.006 82 L CA -0.224 54.712 54.840 0.160 0.000 0.817 82 L CB 1.476 43.630 42.059 0.159 0.000 1.272 82 L HN 0.852 nan 8.230 nan 0.000 0.421 83 D N 1.385 121.870 120.400 0.142 0.000 2.744 83 D HA 0.429 5.069 4.640 0.000 0.000 0.304 83 D C 0.441 176.803 176.300 0.104 0.000 1.179 83 D CA -0.677 53.387 54.000 0.107 0.000 1.024 83 D CB 0.858 41.737 40.800 0.131 0.000 1.453 83 D HN 0.239 nan 8.370 nan 0.000 0.529 84 R N -0.620 119.928 120.500 0.080 0.000 2.127 84 R HA 0.003 4.343 4.340 0.000 0.000 0.238 84 R C 1.491 177.846 176.300 0.092 0.000 1.134 84 R CA 1.416 57.542 56.100 0.043 0.000 0.975 84 R CB -0.184 30.150 30.300 0.055 0.000 0.865 84 R HN 0.511 nan 8.270 nan 0.000 0.447 85 E N -1.841 118.479 120.200 0.200 0.000 2.290 85 E HA 0.099 4.449 4.350 0.000 0.000 0.199 85 E C -0.396 176.220 176.600 0.027 0.000 0.912 85 E CA 0.424 56.883 56.400 0.099 0.000 0.924 85 E CB 0.509 30.260 29.700 0.084 0.000 0.901 85 E HN 0.105 nan 8.360 nan 0.000 0.487 86 Y N -0.537 119.885 120.300 0.204 0.000 2.630 86 Y HA 0.509 5.059 4.550 0.000 0.000 0.337 86 Y C 0.106 176.100 175.900 0.157 0.000 1.051 86 Y CA -0.782 57.402 58.100 0.139 0.000 1.121 86 Y CB 1.599 40.090 38.460 0.051 0.000 1.299 86 Y HN -0.215 nan 8.280 nan 0.000 0.498 87 I N 1.562 122.351 120.570 0.365 0.000 2.448 87 I HA 0.261 4.432 4.170 0.000 0.000 0.281 87 I C -1.140 175.118 176.117 0.235 0.000 1.027 87 I CA -0.294 61.181 61.300 0.292 0.000 1.111 87 I CB 1.439 39.631 38.000 0.320 0.000 1.236 87 I HN 0.597 nan 8.210 nan 0.000 0.452 88 T N 7.192 121.857 114.554 0.185 0.000 2.772 88 T HA 0.490 4.840 4.350 0.000 0.000 0.288 88 T C -0.293 174.511 174.700 0.173 0.000 0.994 88 T CA -0.462 61.709 62.100 0.118 0.000 0.951 88 T CB 0.976 69.869 68.868 0.042 0.000 0.933 88 T HN 0.133 nan 8.240 nan 0.000 0.447 89 L N 4.022 125.350 121.223 0.174 0.000 2.260 89 L HA 0.497 4.838 4.340 0.000 0.000 0.289 89 L C 0.343 177.399 176.870 0.309 0.000 1.057 89 L CA 0.023 55.043 54.840 0.299 0.000 0.811 89 L CB 0.601 42.771 42.059 0.185 0.000 1.184 89 L HN 0.450 nan 8.230 nan 0.000 0.429 90 K N 2.722 123.325 120.400 0.339 0.000 2.259 90 K HA 0.928 5.249 4.320 0.000 0.000 0.249 90 K C -1.326 175.399 176.600 0.209 0.000 0.942 90 K CA -0.673 55.748 56.287 0.222 0.000 0.816 90 K CB 1.911 34.482 32.500 0.118 0.000 1.155 90 K HN 0.615 nan 8.250 nan 0.000 0.428 91 A N 2.060 124.970 122.820 0.150 0.000 2.393 91 A HA 0.568 4.888 4.320 0.000 0.000 0.306 91 A C -1.257 176.303 177.584 -0.039 0.000 1.050 91 A CA -0.659 51.383 52.037 0.009 0.000 0.724 91 A CB 1.838 20.916 19.000 0.131 0.000 1.248 91 A HN 0.620 nan 8.150 nan 0.000 0.424 92 T N 2.741 117.177 114.554 -0.197 0.000 2.809 92 T HA 0.703 5.054 4.350 0.000 0.000 0.284 92 T C -0.752 173.728 174.700 -0.367 0.000 0.992 92 T CA -0.075 61.831 62.100 -0.323 0.000 0.957 92 T CB 0.099 68.828 68.868 -0.231 0.000 0.942 92 T HN 0.809 nan 8.240 nan 0.000 0.439 93 F N 0.287 119.944 119.950 -0.488 0.000 2.789 93 F HA 0.705 5.232 4.527 0.000 0.000 0.319 93 F C -1.629 173.999 175.800 -0.287 0.000 1.168 93 F CA -1.912 55.774 58.000 -0.524 0.000 0.934 93 F CB 0.837 39.159 39.000 -1.130 0.000 1.375 93 F HN 0.222 nan 8.300 nan 0.000 0.480 94 L N 2.428 123.678 121.223 0.046 0.000 2.360 94 L HA 0.273 4.613 4.340 0.000 0.000 0.276 94 L C 1.571 178.541 176.870 0.167 0.000 1.121 94 L CA -0.373 54.486 54.840 0.033 0.000 0.845 94 L CB 1.094 43.184 42.059 0.051 0.000 1.143 94 L HN 0.852 nan 8.230 nan 0.000 0.452 95 K N 2.062 122.481 120.400 0.033 0.000 2.056 95 K HA -0.283 4.037 4.320 0.000 0.000 0.225 95 K C 1.107 177.841 176.600 0.223 0.000 1.053 95 K CA 2.538 58.883 56.287 0.097 0.000 0.966 95 K CB 0.057 32.572 32.500 0.025 0.000 0.735 95 K HN 0.706 nan 8.250 nan 0.000 0.455 96 D N 0.617 121.107 120.400 0.151 0.000 2.389 96 D HA -0.118 4.522 4.640 0.000 0.000 0.221 96 D C 0.511 176.893 176.300 0.136 0.000 0.974 96 D CA 0.882 54.963 54.000 0.134 0.000 0.923 96 D CB -0.126 40.725 40.800 0.084 0.000 0.892 96 D HN 0.342 nan 8.370 nan 0.000 0.518 97 D N 0.128 120.646 120.400 0.196 0.000 2.342 97 D HA 0.003 4.643 4.640 0.000 0.000 0.221 97 D C 2.046 178.379 176.300 0.054 0.000 1.101 97 D CA -0.258 53.825 54.000 0.137 0.000 0.837 97 D CB 0.418 41.347 40.800 0.216 0.000 0.938 97 D HN 0.118 nan 8.370 nan 0.000 0.508 98 L N 2.668 123.945 121.223 0.090 0.000 2.010 98 L HA -0.176 4.164 4.340 0.000 0.000 0.219 98 L C -0.766 175.976 176.870 -0.213 0.000 1.077 98 L CA 2.435 57.271 54.840 -0.007 0.000 0.773 98 L CB -1.460 40.756 42.059 0.261 0.000 0.892 98 L HN 0.014 nan 8.230 nan 0.000 0.436 99 P HA -0.289 nan 4.420 nan 0.000 0.216 99 P C 1.581 178.649 177.300 -0.386 0.000 1.150 99 P CA 1.952 64.584 63.100 -0.781 0.000 0.843 99 P CB -0.432 30.604 31.700 -1.107 0.000 0.787 100 Y N 0.140 120.199 120.300 -0.401 0.000 2.145 100 Y HA -0.247 4.303 4.550 0.000 0.000 0.286 100 Y C 2.421 178.029 175.900 -0.487 0.000 1.145 100 Y CA 1.742 59.578 58.100 -0.439 0.000 1.148 100 Y CB -1.079 37.061 38.460 -0.534 0.000 0.981 100 Y HN -0.181 nan 8.280 nan 0.000 0.507 101 Y N -1.395 118.787 120.300 -0.195 0.000 2.314 101 Y HA -0.154 4.396 4.550 0.000 0.000 0.293 101 Y C 2.458 178.301 175.900 -0.095 0.000 1.129 101 Y CA 1.203 59.202 58.100 -0.168 0.000 1.201 101 Y CB -0.711 37.402 38.460 -0.578 0.000 0.999 101 Y HN -0.030 nan 8.280 nan 0.000 0.541 102 V N 0.438 120.330 119.914 -0.037 0.000 2.295 102 V HA -0.323 3.797 4.120 0.000 0.000 0.246 102 V C 1.634 177.694 176.094 -0.057 0.000 1.049 102 V CA 2.373 64.677 62.300 0.006 0.000 1.024 102 V CB -0.709 31.126 31.823 0.021 0.000 0.648 102 V HN 0.458 nan 8.190 nan 0.000 0.447 103 N N 0.080 118.680 118.700 -0.166 0.000 2.188 103 N HA -0.097 4.643 4.740 0.000 0.000 0.184 103 N C 1.895 177.267 175.510 -0.230 0.000 1.018 103 N CA 1.194 54.123 53.050 -0.202 0.000 0.858 103 N CB -0.333 37.998 38.487 -0.259 0.000 0.989 103 N HN 0.478 nan 8.380 nan 0.000 0.426 104 A N 1.178 123.819 122.820 -0.299 0.000 1.865 104 A HA -0.116 4.204 4.320 0.000 0.000 0.217 104 A C 2.100 179.617 177.584 -0.112 0.000 1.191 104 A CA 1.124 52.997 52.037 -0.275 0.000 0.623 104 A CB -0.836 18.014 19.000 -0.251 0.000 0.826 104 A HN 0.187 nan 8.150 nan 0.000 0.444 105 L N -0.893 120.357 121.223 0.046 0.000 2.083 105 L HA -0.183 4.157 4.340 0.000 0.000 0.209 105 L C 3.076 179.897 176.870 -0.082 0.000 1.083 105 L CA 1.003 55.877 54.840 0.057 0.000 0.752 105 L CB -0.621 41.540 42.059 0.170 0.000 0.899 105 L HN 0.459 nan 8.230 nan 0.000 0.433 106 A N -0.035 122.739 122.820 -0.077 0.000 1.898 106 A HA -0.215 4.106 4.320 0.000 0.000 0.216 106 A C 1.887 179.414 177.584 -0.096 0.000 1.181 106 A CA 1.852 53.835 52.037 -0.091 0.000 0.620 106 A CB -0.460 18.488 19.000 -0.086 0.000 0.819 106 A HN 0.334 nan 8.150 nan 0.000 0.442 107 D N -0.179 120.149 120.400 -0.119 0.000 2.144 107 D HA -0.104 4.536 4.640 0.000 0.000 0.199 107 D C 2.041 178.270 176.300 -0.118 0.000 0.984 107 D CA 1.341 55.284 54.000 -0.096 0.000 0.834 107 D CB -0.414 40.303 40.800 -0.139 0.000 0.955 107 D HN 0.236 nan 8.370 nan 0.000 0.465 108 V N 1.087 120.874 119.914 -0.211 0.000 2.261 108 V HA -0.217 3.903 4.120 0.000 0.000 0.246 108 V C 2.605 178.531 176.094 -0.281 0.000 1.047 108 V CA 1.215 63.332 62.300 -0.305 0.000 1.015 108 V CB -0.499 31.018 31.823 -0.508 0.000 0.642 108 V HN 0.224 nan 8.190 nan 0.000 0.446 109 L N -1.613 119.399 121.223 -0.351 0.000 2.093 109 L HA -0.171 4.169 4.340 0.000 0.000 0.208 109 L C 2.478 179.292 176.870 -0.093 0.000 1.085 109 L CA 1.938 56.483 54.840 -0.492 0.000 0.755 109 L CB -0.653 41.051 42.059 -0.592 0.000 0.904 109 L HN 0.380 nan 8.230 nan 0.000 0.435 110 Y N 1.656 121.870 120.300 -0.143 0.000 2.269 110 Y HA -0.115 4.436 4.550 0.000 0.000 0.294 110 Y C 1.650 177.524 175.900 -0.043 0.000 1.120 110 Y CA 0.993 59.054 58.100 -0.066 0.000 1.159 110 Y CB 0.446 38.861 38.460 -0.074 0.000 1.024 110 Y HN 0.094 nan 8.280 nan 0.000 0.532 111 K N 0.329 120.748 120.400 0.032 0.000 3.320 111 K HA 0.245 4.565 4.320 0.000 0.000 0.194 111 K C -0.626 175.904 176.600 -0.116 0.000 1.085 111 K CA -0.201 56.064 56.287 -0.036 0.000 0.901 111 K CB -0.289 32.262 32.500 0.086 0.000 0.765 111 K HN 0.056 nan 8.250 nan 0.000 0.480 112 T N -1.977 112.442 114.554 -0.226 0.000 2.901 112 T HA 0.324 4.675 4.350 0.000 0.000 0.301 112 T C 1.445 175.890 174.700 -0.424 0.000 1.012 112 T CA -0.160 61.682 62.100 -0.431 0.000 1.135 112 T CB 1.773 70.148 68.868 -0.822 0.000 0.936 112 T HN 0.303 nan 8.240 nan 0.000 0.539 113 A N 2.689 125.335 122.820 -0.291 0.000 1.933 113 A HA 0.158 4.478 4.320 0.000 0.000 0.218 113 A C 1.109 178.652 177.584 -0.069 0.000 1.175 113 A CA 0.529 52.485 52.037 -0.135 0.000 0.628 113 A CB -1.128 17.833 19.000 -0.064 0.000 0.814 113 A HN 1.043 nan 8.150 nan 0.000 0.444 114 F N -1.226 118.621 119.950 -0.172 0.000 3.074 114 F HA -0.171 4.356 4.527 0.000 0.000 0.287 114 F C 0.356 176.079 175.800 -0.129 0.000 0.932 114 F CA 0.348 58.110 58.000 -0.396 0.000 0.995 114 F CB -1.873 36.813 39.000 -0.523 0.000 0.966 114 F HN 0.102 nan 8.300 nan 0.000 0.721 115 K N 0.430 120.882 120.400 0.086 0.000 2.382 115 K HA 0.108 4.428 4.320 0.000 0.000 0.275 115 K C -1.257 175.337 176.600 -0.011 0.000 1.009 115 K CA -1.289 54.969 56.287 -0.047 0.000 0.970 115 K CB 0.423 32.733 32.500 -0.318 0.000 0.934 115 K HN -0.042 nan 8.250 nan 0.000 0.479 116 P HA -0.183 nan 4.420 nan 0.000 0.216 116 P C 1.137 178.475 177.300 0.063 0.000 1.150 116 P CA 1.389 64.528 63.100 0.065 0.000 0.837 116 P CB -0.042 31.699 31.700 0.068 0.000 0.786 117 H N -0.498 118.623 119.070 0.085 0.000 2.457 117 H HA 0.013 4.569 4.556 0.000 0.000 0.294 117 H C 1.349 176.702 175.328 0.041 0.000 1.064 117 H CA 0.999 57.079 56.048 0.053 0.000 1.330 117 H CB -0.607 29.178 29.762 0.038 0.000 1.395 117 H HN 0.218 nan 8.280 nan 0.000 0.541 118 E N 0.580 120.639 120.200 -0.235 0.000 2.150 118 E HA -0.091 4.259 4.350 0.000 0.000 0.193 118 E C 2.298 178.784 176.600 -0.190 0.000 0.985 118 E CA 0.721 57.033 56.400 -0.147 0.000 0.814 118 E CB 0.085 29.701 29.700 -0.139 0.000 0.752 118 E HN 0.277 nan 8.360 nan 0.000 0.466 119 L N 1.149 122.344 121.223 -0.047 0.000 2.027 119 L HA -0.152 4.188 4.340 0.000 0.000 0.206 119 L C 2.546 179.387 176.870 -0.048 0.000 1.074 119 L CA 2.337 57.146 54.840 -0.052 0.000 0.745 119 L CB -0.832 41.326 42.059 0.164 0.000 0.898 119 L HN 0.168 nan 8.230 nan 0.000 0.433 120 T N -3.771 110.790 114.554 0.012 0.000 2.812 120 T HA -0.113 4.238 4.350 0.000 0.000 0.264 120 T C 1.668 176.378 174.700 0.015 0.000 1.042 120 T CA 1.336 63.451 62.100 0.024 0.000 1.140 120 T CB -0.511 68.388 68.868 0.051 0.000 0.870 120 T HN 0.487 nan 8.240 nan 0.000 0.445 121 E N 0.750 120.966 120.200 0.027 0.000 2.230 121 E HA 0.078 4.428 4.350 0.000 0.000 0.192 121 E C 1.983 178.576 176.600 -0.010 0.000 0.987 121 E CA 1.003 57.418 56.400 0.025 0.000 0.841 121 E CB 0.192 29.933 29.700 0.069 0.000 0.783 121 E HN 0.531 nan 8.360 nan 0.000 0.481 122 S N -0.682 114.982 115.700 -0.059 0.000 3.186 122 S HA 0.035 4.505 4.470 0.000 0.000 0.253 122 S C 1.993 176.514 174.600 -0.132 0.000 1.071 122 S CA -0.153 57.994 58.200 -0.088 0.000 0.796 122 S CB 0.144 63.282 63.200 -0.103 0.000 0.818 122 S HN -0.043 nan 8.310 nan 0.000 0.498 123 V N 3.318 123.077 119.914 -0.259 0.000 2.233 123 V HA -0.150 3.970 4.120 0.000 0.000 0.247 123 V C 2.279 178.280 176.094 -0.155 0.000 1.050 123 V CA 1.780 63.903 62.300 -0.295 0.000 1.010 123 V CB -0.855 30.612 31.823 -0.592 0.000 0.637 123 V HN 0.352 nan 8.190 nan 0.000 0.444 124 L N -0.367 120.789 121.223 -0.112 0.000 2.012 124 L HA -0.143 4.198 4.340 0.000 0.000 0.210 124 L C 0.145 177.033 176.870 0.029 0.000 1.073 124 L CA 1.954 56.774 54.840 -0.033 0.000 0.748 124 L CB -1.732 40.328 42.059 0.002 0.000 0.891 124 L HN 0.366 nan 8.230 nan 0.000 0.431 125 P HA -0.150 nan 4.420 nan 0.000 0.216 125 P C 1.431 178.793 177.300 0.104 0.000 1.153 125 P CA 1.674 64.809 63.100 0.060 0.000 0.848 125 P CB 0.006 31.723 31.700 0.027 0.000 0.787 126 A N -0.013 122.852 122.820 0.075 0.000 1.933 126 A HA -0.092 4.228 4.320 0.000 0.000 0.218 126 A C 2.292 180.014 177.584 0.231 0.000 1.175 126 A CA 2.006 54.135 52.037 0.153 0.000 0.628 126 A CB -1.577 17.476 19.000 0.088 0.000 0.814 126 A HN 0.190 nan 8.150 nan 0.000 0.444 127 A N -0.705 122.176 122.820 0.100 0.000 1.969 127 A HA -0.066 4.255 4.320 0.000 0.000 0.218 127 A C 2.158 179.911 177.584 0.282 0.000 1.169 127 A CA 1.735 53.817 52.037 0.075 0.000 0.635 127 A CB -0.363 18.497 19.000 -0.234 0.000 0.810 127 A HN 0.412 nan 8.150 nan 0.000 0.445 128 R N -1.513 119.129 120.500 0.236 0.000 2.096 128 R HA -0.132 4.208 4.340 0.000 0.000 0.235 128 R C 1.930 178.412 176.300 0.303 0.000 1.127 128 R CA 1.770 58.025 56.100 0.258 0.000 0.968 128 R CB -0.727 29.687 30.300 0.189 0.000 0.861 128 R HN 0.722 nan 8.270 nan 0.000 0.440 129 Y N 1.111 121.503 120.300 0.152 0.000 2.133 129 Y HA -0.162 4.388 4.550 0.000 0.000 0.287 129 Y C 1.479 177.460 175.900 0.135 0.000 1.134 129 Y CA 1.807 59.979 58.100 0.119 0.000 1.133 129 Y CB -0.416 38.096 38.460 0.088 0.000 0.987 129 Y HN 0.051 nan 8.280 nan 0.000 0.502 130 D N -0.431 119.949 120.400 -0.033 0.000 2.133 130 D HA -0.260 4.380 4.640 0.000 0.000 0.195 130 D C 1.971 178.246 176.300 -0.043 0.000 0.997 130 D CA 1.946 55.867 54.000 -0.133 0.000 0.840 130 D CB -0.872 40.029 40.800 0.169 0.000 0.947 130 D HN 0.517 nan 8.370 nan 0.000 0.452 131 Y N 1.527 121.847 120.300 0.033 0.000 2.114 131 Y HA -0.136 4.415 4.550 0.000 0.000 0.284 131 Y C 2.316 178.202 175.900 -0.023 0.000 1.143 131 Y CA 1.672 59.781 58.100 0.014 0.000 1.135 131 Y CB -0.554 37.946 38.460 0.067 0.000 0.980 131 Y HN -0.048 nan 8.280 nan 0.000 0.499 132 A N -0.702 122.060 122.820 -0.096 0.000 1.978 132 A HA -0.149 4.171 4.320 0.000 0.000 0.220 132 A C 2.319 179.790 177.584 -0.189 0.000 1.170 132 A CA 1.996 53.943 52.037 -0.150 0.000 0.636 132 A CB -1.282 17.739 19.000 0.036 0.000 0.810 132 A HN 0.361 nan 8.150 nan 0.000 0.448 133 V N -0.479 119.305 119.914 -0.217 0.000 2.379 133 V HA -0.182 3.939 4.120 0.000 0.000 0.245 133 V C 3.010 178.979 176.094 -0.208 0.000 1.044 133 V CA 1.844 64.015 62.300 -0.215 0.000 1.036 133 V CB -1.090 30.533 31.823 -0.333 0.000 0.664 133 V HN 0.601 nan 8.190 nan 0.000 0.453 134 A N -0.357 122.311 122.820 -0.252 0.000 1.929 134 A HA -0.224 4.096 4.320 0.000 0.000 0.216 134 A C 2.259 179.671 177.584 -0.287 0.000 1.176 134 A CA 1.631 53.524 52.037 -0.241 0.000 0.628 134 A CB -0.515 18.357 19.000 -0.212 0.000 0.816 134 A HN 0.610 nan 8.150 nan 0.000 0.444 135 E N -0.517 119.426 120.200 -0.428 0.000 2.171 135 E HA -0.242 4.108 4.350 0.000 0.000 0.197 135 E C 1.239 177.752 176.600 -0.145 0.000 0.997 135 E CA 1.247 57.402 56.400 -0.409 0.000 0.810 135 E CB -0.038 29.299 29.700 -0.604 0.000 0.738 135 E HN 0.523 nan 8.360 nan 0.000 0.467 136 Q N -0.488 119.261 119.800 -0.084 0.000 2.280 136 Q HA 0.063 4.403 4.340 0.000 0.000 0.202 136 Q C -0.385 175.635 176.000 0.033 0.000 0.903 136 Q CA 0.093 55.943 55.803 0.079 0.000 0.948 136 Q CB 0.359 29.124 28.738 0.045 0.000 1.058 136 Q HN 0.142 nan 8.270 nan 0.000 0.493 137 C N 2.812 122.039 119.300 -0.121 0.000 2.317 137 C HA 0.357 4.817 4.460 0.000 0.000 0.306 137 C C -1.162 173.654 174.990 -0.291 0.000 1.087 137 C CA -2.055 56.867 59.018 -0.160 0.000 1.529 137 C CB 0.439 28.085 27.740 -0.157 0.000 1.880 137 C HN 0.223 nan 8.230 nan 0.000 0.417 138 P HA -0.158 nan 4.420 nan 0.000 0.218 138 P C 1.480 178.588 177.300 -0.320 0.000 1.146 138 P CA 2.047 64.843 63.100 -0.507 0.000 0.813 138 P CB -0.134 31.306 31.700 -0.433 0.000 0.778 139 V N -1.768 117.967 119.914 -0.298 0.000 2.453 139 V HA -0.124 3.996 4.120 0.000 0.000 0.247 139 V C 2.317 178.156 176.094 -0.424 0.000 1.048 139 V CA 1.406 63.446 62.300 -0.434 0.000 1.049 139 V CB -1.464 29.980 31.823 -0.631 0.000 0.672 139 V HN -0.017 nan 8.190 nan 0.000 0.457 140 K N 0.810 121.023 120.400 -0.311 0.000 2.148 140 K HA -0.070 4.250 4.320 0.000 0.000 0.204 140 K C 2.555 179.069 176.600 -0.144 0.000 1.050 140 K CA 1.448 57.608 56.287 -0.213 0.000 0.942 140 K CB -0.264 32.123 32.500 -0.188 0.000 0.724 140 K HN 0.575 nan 8.250 nan 0.000 0.446 141 S N 0.955 116.538 115.700 -0.194 0.000 2.355 141 S HA -0.118 4.352 4.470 0.000 0.000 0.222 141 S C 2.130 176.687 174.600 -0.071 0.000 1.031 141 S CA 1.198 59.302 58.200 -0.161 0.000 0.993 141 S CB -0.137 62.885 63.200 -0.297 0.000 0.859 141 S HN 0.344 nan 8.310 nan 0.000 0.453 142 A N 0.947 123.733 122.820 -0.056 0.000 1.933 142 A HA -0.116 4.205 4.320 0.000 0.000 0.218 142 A C 2.067 179.783 177.584 0.220 0.000 1.175 142 A CA 1.864 53.948 52.037 0.077 0.000 0.628 142 A CB -0.876 18.228 19.000 0.173 0.000 0.814 142 A HN 0.774 nan 8.150 nan 0.000 0.444 143 E N -0.525 119.832 120.200 0.262 0.000 2.072 143 E HA -0.233 4.118 4.350 0.000 0.000 0.191 143 E C 1.475 178.276 176.600 0.336 0.000 0.985 143 E CA 1.250 57.880 56.400 0.384 0.000 0.801 143 E CB -0.126 29.750 29.700 0.292 0.000 0.750 143 E HN 0.500 nan 8.360 nan 0.000 0.452 144 D N -0.088 120.422 120.400 0.184 0.000 2.117 144 D HA -0.149 4.491 4.640 0.000 0.000 0.197 144 D C 2.013 178.412 176.300 0.166 0.000 0.987 144 D CA 0.810 54.903 54.000 0.155 0.000 0.829 144 D CB 0.024 40.860 40.800 0.060 0.000 0.961 144 D HN 0.151 nan 8.370 nan 0.000 0.460 145 Q N -0.298 119.568 119.800 0.109 0.000 2.084 145 Q HA -0.110 4.230 4.340 0.000 0.000 0.202 145 Q C 2.210 178.255 176.000 0.075 0.000 0.978 145 Q CA 0.519 56.361 55.803 0.065 0.000 0.844 145 Q CB -0.397 28.349 28.738 0.014 0.000 0.898 145 Q HN 0.284 nan 8.270 nan 0.000 0.426 146 L N -0.431 120.851 121.223 0.099 0.000 2.017 146 L HA -0.174 4.167 4.340 0.000 0.000 0.208 146 L C 2.147 179.038 176.870 0.035 0.000 1.073 146 L CA 1.709 56.569 54.840 0.033 0.000 0.745 146 L CB -1.127 40.934 42.059 0.003 0.000 0.894 146 L HN 0.209 nan 8.230 nan 0.000 0.432 147 Y N -0.906 119.464 120.300 0.116 0.000 2.224 147 Y HA -0.250 4.300 4.550 0.000 0.000 0.289 147 Y C 2.407 178.408 175.900 0.168 0.000 1.146 147 Y CA 1.441 59.669 58.100 0.213 0.000 1.182 147 Y CB -0.470 38.122 38.460 0.220 0.000 0.983 147 Y HN 0.233 nan 8.280 nan 0.000 0.524 148 A N 0.552 123.514 122.820 0.237 0.000 1.855 148 A HA -0.174 4.146 4.320 0.000 0.000 0.215 148 A C 2.170 179.775 177.584 0.036 0.000 1.191 148 A CA 1.891 54.003 52.037 0.125 0.000 0.613 148 A CB -1.233 17.810 19.000 0.072 0.000 0.829 148 A HN 0.593 nan 8.150 nan 0.000 0.442 149 I N -1.703 118.862 120.570 -0.007 0.000 2.546 149 I HA -0.105 4.066 4.170 0.000 0.000 0.255 149 I C 2.242 178.309 176.117 -0.082 0.000 1.163 149 I CA 1.898 63.153 61.300 -0.074 0.000 1.457 149 I CB -0.955 37.013 38.000 -0.053 0.000 1.092 149 I HN 0.367 nan 8.210 nan 0.000 0.434 150 T N -0.729 113.755 114.554 -0.117 0.000 2.852 150 T HA 0.057 4.407 4.350 0.000 0.000 0.256 150 T C 1.394 175.967 174.700 -0.212 0.000 1.038 150 T CA 0.960 62.894 62.100 -0.276 0.000 1.141 150 T CB -0.588 67.845 68.868 -0.726 0.000 0.869 150 T HN 0.393 nan 8.240 nan 0.000 0.439 151 F N 0.892 120.975 119.950 0.221 0.000 2.694 151 F HA 0.566 5.093 4.527 0.000 0.000 0.292 151 F C 1.415 177.332 175.800 0.194 0.000 1.121 151 F CA -0.999 57.146 58.000 0.241 0.000 1.352 151 F CB -0.232 38.854 39.000 0.145 0.000 1.107 151 F HN 0.031 nan 8.300 nan 0.000 0.597 152 R N 0.082 120.722 120.500 0.233 0.000 3.938 152 R HA -0.341 3.999 4.340 0.000 0.000 0.421 152 R C 1.427 177.799 176.300 0.120 0.000 0.241 152 R CA 1.090 57.246 56.100 0.093 0.000 1.341 152 R CB -1.098 29.184 30.300 -0.030 0.000 1.049 152 R HN -0.021 nan 8.270 nan 0.000 0.540 153 K N 0.148 120.592 120.400 0.074 0.000 2.206 153 K HA -0.226 4.094 4.320 0.000 0.000 0.211 153 K C 1.497 178.123 176.600 0.042 0.000 1.047 153 K CA 2.561 58.880 56.287 0.054 0.000 0.933 153 K CB -0.907 31.622 32.500 0.048 0.000 0.721 153 K HN 0.521 nan 8.250 nan 0.000 0.471 154 G N -0.540 108.294 108.800 0.056 0.000 2.561 154 G HA2 -0.065 3.896 3.960 0.000 0.000 0.208 154 G HA3 -0.065 3.896 3.960 0.000 0.000 0.208 154 G C 0.934 175.778 174.900 -0.094 0.000 1.510 154 G CA 0.485 45.568 45.100 -0.027 0.000 0.941 154 G HN 0.193 nan 8.290 nan 0.000 0.478 155 L N 1.840 122.968 121.223 -0.157 0.000 2.456 155 L HA 0.177 4.517 4.340 0.000 0.000 0.224 155 L C 2.758 179.673 176.870 0.075 0.000 1.148 155 L CA 1.132 55.829 54.840 -0.237 0.000 0.825 155 L CB -0.447 41.230 42.059 -0.637 0.000 0.937 155 L HN 0.360 nan 8.230 nan 0.000 0.450 156 G N -1.279 107.644 108.800 0.206 0.000 2.848 156 G HA2 -0.094 3.867 3.960 0.000 0.000 0.208 156 G HA3 -0.094 3.867 3.960 0.000 0.000 0.208 156 G C 0.660 175.626 174.900 0.111 0.000 1.152 156 G CA -0.253 44.999 45.100 0.254 0.000 0.789 156 G HN 0.268 nan 8.290 nan 0.000 0.531 157 N N 1.572 120.290 118.700 0.029 0.000 2.454 157 N HA 0.196 4.936 4.740 0.000 0.000 0.254 157 N C -2.550 172.952 175.510 -0.014 0.000 1.228 157 N CA -1.150 51.897 53.050 -0.005 0.000 0.900 157 N CB 0.848 39.312 38.487 -0.038 0.000 1.089 157 N HN -0.005 nan 8.380 nan 0.000 0.449 158 P HA -0.005 nan 4.420 nan 0.000 0.268 158 P C 0.933 178.222 177.300 -0.018 0.000 1.205 158 P CA -0.336 62.764 63.100 -0.000 0.000 0.771 158 P CB 0.646 32.350 31.700 0.007 0.000 0.858 159 L N 4.419 125.621 121.223 -0.034 0.000 2.027 159 L HA 0.005 4.345 4.340 0.000 0.000 0.206 159 L C 0.516 177.358 176.870 -0.046 0.000 1.074 159 L CA 1.868 56.674 54.840 -0.057 0.000 0.745 159 L CB -0.465 41.542 42.059 -0.086 0.000 0.898 159 L HN 0.247 nan 8.230 nan 0.000 0.433 160 L N -2.084 119.123 121.223 -0.026 0.000 2.332 160 L HA 0.224 4.564 4.340 0.000 0.000 0.269 160 L C -0.780 176.222 176.870 0.220 0.000 1.016 160 L CA -1.035 53.810 54.840 0.008 0.000 0.809 160 L CB 0.988 43.013 42.059 -0.057 0.000 1.280 160 L HN -0.067 nan 8.230 nan 0.000 0.447 161 Y N 1.547 122.045 120.300 0.331 0.000 2.393 161 Y HA 0.060 4.610 4.550 0.000 0.000 0.338 161 Y C 0.460 176.279 175.900 -0.136 0.000 1.029 161 Y CA -0.215 57.933 58.100 0.080 0.000 1.239 161 Y CB 0.706 39.190 38.460 0.040 0.000 1.170 161 Y HN 0.691 nan 8.280 nan 0.000 0.515 162 D N 2.691 122.616 120.400 -0.791 0.000 2.500 162 D HA 0.152 4.792 4.640 0.000 0.000 0.217 162 D C 1.396 177.127 176.300 -0.949 0.000 1.159 162 D CA 0.426 53.788 54.000 -1.063 0.000 0.828 162 D CB 0.276 40.533 40.800 -0.906 0.000 1.039 162 D HN 0.878 nan 8.370 nan 0.000 0.512 163 G N 0.972 108.997 108.800 -1.291 0.000 2.179 163 G HA2 -0.358 3.602 3.960 0.000 0.000 0.260 163 G HA3 -0.358 3.602 3.960 0.000 0.000 0.260 163 G C 1.232 175.927 174.900 -0.342 0.000 0.977 163 G CA 1.087 45.710 45.100 -0.795 0.000 0.641 163 G HN 0.861 nan 8.290 nan 0.000 0.533 164 V N -1.889 117.851 119.914 -0.290 0.000 2.515 164 V HA 0.273 4.393 4.120 0.000 0.000 0.250 164 V C 0.913 176.958 176.094 -0.082 0.000 1.058 164 V CA 2.374 64.587 62.300 -0.146 0.000 1.064 164 V CB -0.015 31.740 31.823 -0.114 0.000 0.675 164 V HN 0.560 nan 8.190 nan 0.000 0.461 165 E N 1.130 121.292 120.200 -0.063 0.000 2.114 165 E HA 0.334 4.684 4.350 0.000 0.000 0.266 165 E C 0.025 176.674 176.600 0.082 0.000 0.896 165 E CA -0.796 55.607 56.400 0.005 0.000 0.750 165 E CB 0.897 30.603 29.700 0.011 0.000 1.121 165 E HN 0.474 nan 8.360 nan 0.000 0.413 166 R N 3.160 123.700 120.500 0.066 0.000 2.502 166 R HA 0.068 4.408 4.340 0.000 0.000 0.292 166 R C -1.006 175.349 176.300 0.091 0.000 0.998 166 R CA 0.214 56.376 56.100 0.103 0.000 1.056 166 R CB 0.387 30.716 30.300 0.048 0.000 0.939 166 R HN 0.277 nan 8.270 nan 0.000 0.411 167 V N 5.194 125.167 119.914 0.099 0.000 2.407 167 V HA 0.175 4.295 4.120 0.000 0.000 0.291 167 V C 0.161 176.202 176.094 -0.089 0.000 1.018 167 V CA -0.592 61.680 62.300 -0.046 0.000 0.842 167 V CB 1.459 33.170 31.823 -0.188 0.000 0.996 167 V HN 0.983 nan 8.190 nan 0.000 0.426 168 S N 5.019 120.677 115.700 -0.070 0.000 2.681 168 S HA 0.454 4.924 4.470 0.000 0.000 0.270 168 S C 1.153 175.699 174.600 -0.090 0.000 1.209 168 S CA -0.581 57.581 58.200 -0.063 0.000 0.988 168 S CB 1.184 64.354 63.200 -0.049 0.000 1.006 168 S HN 0.586 nan 8.310 nan 0.000 0.558 169 L N 0.115 121.296 121.223 -0.069 0.000 2.046 169 L HA -0.131 4.209 4.340 0.000 0.000 0.208 169 L C 2.838 179.587 176.870 -0.201 0.000 1.077 169 L CA 1.989 56.772 54.840 -0.096 0.000 0.747 169 L CB -0.613 41.419 42.059 -0.046 0.000 0.896 169 L HN 0.895 nan 8.230 nan 0.000 0.432 170 Q N 0.212 119.920 119.800 -0.154 0.000 2.124 170 Q HA -0.232 4.108 4.340 0.000 0.000 0.202 170 Q C 1.696 177.587 176.000 -0.182 0.000 0.977 170 Q CA 1.971 57.671 55.803 -0.172 0.000 0.850 170 Q CB -0.151 28.521 28.738 -0.110 0.000 0.901 170 Q HN 0.457 nan 8.270 nan 0.000 0.429 171 D N -0.382 119.932 120.400 -0.143 0.000 2.117 171 D HA -0.136 4.504 4.640 0.000 0.000 0.197 171 D C 1.834 178.045 176.300 -0.147 0.000 0.987 171 D CA 1.221 55.148 54.000 -0.121 0.000 0.829 171 D CB -0.129 40.609 40.800 -0.103 0.000 0.961 171 D HN 0.382 nan 8.370 nan 0.000 0.460 172 I N 0.802 121.243 120.570 -0.216 0.000 2.252 172 I HA -0.223 3.947 4.170 0.000 0.000 0.245 172 I C 2.276 178.116 176.117 -0.463 0.000 1.102 172 I CA 1.038 62.181 61.300 -0.261 0.000 1.385 172 I CB -0.117 37.727 38.000 -0.260 0.000 1.064 172 I HN -0.084 nan 8.210 nan 0.000 0.414 173 K N 0.475 120.488 120.400 -0.645 0.000 2.148 173 K HA -0.151 4.170 4.320 0.000 0.000 0.204 173 K C 1.605 177.976 176.600 -0.382 0.000 1.050 173 K CA 1.264 57.097 56.287 -0.757 0.000 0.942 173 K CB -0.148 31.948 32.500 -0.673 0.000 0.724 173 K HN 0.255 nan 8.250 nan 0.000 0.446 174 D N 0.510 120.767 120.400 -0.238 0.000 2.117 174 D HA -0.147 4.493 4.640 0.000 0.000 0.198 174 D C 1.575 177.822 176.300 -0.087 0.000 0.982 174 D CA 0.866 54.786 54.000 -0.133 0.000 0.828 174 D CB -0.204 40.550 40.800 -0.078 0.000 0.967 174 D HN 0.047 nan 8.370 nan 0.000 0.464 175 F N 1.519 121.333 119.950 -0.226 0.000 2.186 175 F HA -0.049 4.478 4.527 0.000 0.000 0.299 175 F C 2.172 177.800 175.800 -0.286 0.000 1.090 175 F CA 1.058 58.936 58.000 -0.203 0.000 1.307 175 F CB -0.278 38.620 39.000 -0.171 0.000 1.019 175 F HN -0.076 nan 8.300 nan 0.000 0.489 176 A N -0.124 122.491 122.820 -0.343 0.000 1.902 176 A HA -0.188 4.132 4.320 0.000 0.000 0.217 176 A C 2.044 179.391 177.584 -0.395 0.000 1.181 176 A CA 1.964 53.669 52.037 -0.553 0.000 0.623 176 A CB -0.947 17.877 19.000 -0.293 0.000 0.818 176 A HN 0.382 nan 8.150 nan 0.000 0.443 177 D N -0.531 119.718 120.400 -0.250 0.000 2.144 177 D HA -0.148 4.492 4.640 0.000 0.000 0.199 177 D C 1.905 178.098 176.300 -0.177 0.000 0.984 177 D CA 1.547 55.450 54.000 -0.161 0.000 0.834 177 D CB -0.203 40.517 40.800 -0.134 0.000 0.955 177 D HN 0.627 nan 8.370 nan 0.000 0.465 178 K N 0.615 120.867 120.400 -0.246 0.000 2.097 178 K HA -0.068 4.252 4.320 0.000 0.000 0.205 178 K C 1.698 178.105 176.600 -0.322 0.000 1.050 178 K CA 0.837 56.973 56.287 -0.251 0.000 0.938 178 K CB 0.295 32.650 32.500 -0.241 0.000 0.718 178 K HN -0.039 nan 8.250 nan 0.000 0.442 179 V N 0.070 119.686 119.914 -0.497 0.000 3.125 179 V HA -0.012 4.109 4.120 0.000 0.000 0.249 179 V C 0.685 176.720 176.094 -0.099 0.000 1.113 179 V CA 0.227 62.270 62.300 -0.430 0.000 1.106 179 V CB -0.100 31.273 31.823 -0.749 0.000 0.768 179 V HN 0.195 nan 8.190 nan 0.000 0.468 180 Y N 2.730 122.933 120.300 -0.162 0.000 2.667 180 Y HA 0.315 4.865 4.550 0.000 0.000 0.340 180 Y C 0.832 176.699 175.900 -0.056 0.000 1.303 180 Y CA -0.542 57.509 58.100 -0.082 0.000 1.769 180 Y CB -0.111 38.315 38.460 -0.056 0.000 1.804 180 Y HN 0.285 nan 8.280 nan 0.000 0.451 181 T N -3.348 111.268 114.554 0.103 0.000 2.893 181 T HA 0.296 4.646 4.350 0.000 0.000 0.291 181 T C 0.741 175.472 174.700 0.052 0.000 1.028 181 T CA -1.163 60.969 62.100 0.053 0.000 0.995 181 T CB 2.220 71.093 68.868 0.009 0.000 1.051 181 T HN 0.329 nan 8.240 nan 0.000 0.470 182 K N 0.390 120.817 120.400 0.044 0.000 2.113 182 K HA -0.117 4.203 4.320 0.000 0.000 0.208 182 K C 1.555 178.181 176.600 0.043 0.000 1.047 182 K CA 1.419 57.731 56.287 0.042 0.000 0.928 182 K CB 0.009 32.530 32.500 0.035 0.000 0.716 182 K HN 0.594 nan 8.250 nan 0.000 0.446 183 E N 0.390 120.609 120.200 0.031 0.000 2.511 183 E HA -0.075 4.275 4.350 0.000 0.000 0.196 183 E C 0.706 177.328 176.600 0.037 0.000 1.066 183 E CA 0.563 56.979 56.400 0.027 0.000 0.871 183 E CB -0.010 29.693 29.700 0.005 0.000 0.863 183 E HN 0.219 nan 8.360 nan 0.000 0.520 184 N N 0.167 118.902 118.700 0.058 0.000 2.187 184 N HA 0.073 4.814 4.740 0.000 0.000 0.212 184 N C -0.667 174.978 175.510 0.224 0.000 1.152 184 N CA -0.047 53.064 53.050 0.102 0.000 0.872 184 N CB 0.382 38.879 38.487 0.017 0.000 1.025 184 N HN -0.003 nan 8.380 nan 0.000 0.514 185 L N -2.142 119.181 121.223 0.167 0.000 2.371 185 L HA 0.757 5.097 4.340 0.000 0.000 0.262 185 L C -1.032 175.913 176.870 0.125 0.000 1.006 185 L CA -0.921 54.005 54.840 0.144 0.000 0.818 185 L CB 2.011 44.119 42.059 0.082 0.000 1.354 185 L HN -0.142 nan 8.230 nan 0.000 0.415 186 E N 1.148 121.406 120.200 0.096 0.000 2.234 186 E HA 0.645 4.995 4.350 0.000 0.000 0.266 186 E C -1.381 175.240 176.600 0.035 0.000 0.877 186 E CA -0.969 55.477 56.400 0.076 0.000 0.758 186 E CB 2.787 32.544 29.700 0.095 0.000 1.170 186 E HN 0.461 nan 8.360 nan 0.000 0.415 187 V N 2.585 122.524 119.914 0.041 0.000 2.394 187 V HA 0.387 4.507 4.120 0.000 0.000 0.282 187 V C -0.305 175.812 176.094 0.038 0.000 1.031 187 V CA -0.413 61.912 62.300 0.041 0.000 0.881 187 V CB 1.343 33.198 31.823 0.054 0.000 0.982 187 V HN 0.666 nan 8.190 nan 0.000 0.451 188 S N 2.615 118.334 115.700 0.032 0.000 2.566 188 S HA 0.921 5.391 4.470 0.000 0.000 0.298 188 S C 0.102 174.728 174.600 0.043 0.000 1.083 188 S CA -0.618 57.597 58.200 0.025 0.000 0.978 188 S CB 2.113 65.309 63.200 -0.006 0.000 1.073 188 S HN 1.103 nan 8.310 nan 0.000 0.491 189 G N 0.486 109.308 108.800 0.036 0.000 2.731 189 G HA2 0.582 4.542 3.960 0.000 0.000 0.298 189 G HA3 0.582 4.542 3.960 0.000 0.000 0.298 189 G C -1.882 173.022 174.900 0.006 0.000 1.424 189 G CA -0.493 44.632 45.100 0.042 0.000 1.029 189 G HN 0.467 nan 8.290 nan 0.000 0.518 190 E N 1.038 121.221 120.200 -0.028 0.000 2.210 190 E HA 0.491 4.841 4.350 0.000 0.000 0.266 190 E C 0.271 176.824 176.600 -0.078 0.000 0.883 190 E CA -0.547 55.823 56.400 -0.050 0.000 0.761 190 E CB 0.886 30.547 29.700 -0.065 0.000 1.156 190 E HN 0.355 nan 8.360 nan 0.000 0.412 191 N N 1.442 120.108 118.700 -0.057 0.000 2.776 191 N HA -0.134 4.606 4.740 0.000 0.000 0.250 191 N C -1.324 174.162 175.510 -0.039 0.000 1.112 191 N CA 1.045 54.059 53.050 -0.061 0.000 0.733 191 N CB -1.455 36.969 38.487 -0.105 0.000 1.097 191 N HN 0.194 nan 8.380 nan 0.000 0.558 192 V N 0.315 120.227 119.914 -0.002 0.000 2.604 192 V HA 0.493 4.614 4.120 0.000 0.000 0.305 192 V C 0.583 176.709 176.094 0.054 0.000 1.043 192 V CA -1.156 61.175 62.300 0.051 0.000 0.888 192 V CB 2.279 34.155 31.823 0.089 0.000 0.995 192 V HN 0.112 nan 8.190 nan 0.000 0.429 193 V N 1.413 121.369 119.914 0.071 0.000 2.415 193 V HA 0.283 4.403 4.120 0.000 0.000 0.267 193 V C 1.185 177.307 176.094 0.046 0.000 1.042 193 V CA 0.214 62.544 62.300 0.049 0.000 1.000 193 V CB 0.478 32.330 31.823 0.049 0.000 1.015 193 V HN 1.030 nan 8.190 nan 0.000 0.478 194 E N 4.405 124.622 120.200 0.028 0.000 2.097 194 E HA -0.235 4.115 4.350 0.000 0.000 0.196 194 E C 2.098 178.696 176.600 -0.003 0.000 1.000 194 E CA 1.852 58.265 56.400 0.021 0.000 0.804 194 E CB -0.057 29.652 29.700 0.014 0.000 0.740 194 E HN 0.992 nan 8.360 nan 0.000 0.454 195 A N 1.293 124.102 122.820 -0.019 0.000 1.917 195 A HA -0.250 4.070 4.320 0.000 0.000 0.219 195 A C 1.785 179.301 177.584 -0.114 0.000 1.182 195 A CA 2.129 54.135 52.037 -0.053 0.000 0.633 195 A CB -0.567 18.405 19.000 -0.046 0.000 0.819 195 A HN 0.301 nan 8.150 nan 0.000 0.448 196 D N -0.714 119.615 120.400 -0.118 0.000 2.149 196 D HA -0.070 4.570 4.640 0.000 0.000 0.201 196 D C 1.822 177.952 176.300 -0.283 0.000 0.972 196 D CA 0.996 54.822 54.000 -0.289 0.000 0.835 196 D CB -0.443 40.294 40.800 -0.105 0.000 0.966 196 D HN 0.344 nan 8.370 nan 0.000 0.476 197 L N 1.434 122.658 121.223 0.002 0.000 2.017 197 L HA -0.160 4.180 4.340 0.000 0.000 0.208 197 L C 1.823 178.721 176.870 0.047 0.000 1.073 197 L CA 1.849 56.761 54.840 0.121 0.000 0.745 197 L CB -0.377 41.757 42.059 0.123 0.000 0.894 197 L HN -0.148 nan 8.230 nan 0.000 0.432 198 K N -0.839 119.551 120.400 -0.016 0.000 2.063 198 K HA -0.230 4.090 4.320 0.000 0.000 0.208 198 K C 2.314 178.879 176.600 -0.058 0.000 1.048 198 K CA 1.718 57.992 56.287 -0.022 0.000 0.928 198 K CB -0.274 32.209 32.500 -0.029 0.000 0.713 198 K HN 0.319 nan 8.250 nan 0.000 0.442 199 R N 0.527 120.927 120.500 -0.166 0.000 2.073 199 R HA -0.102 4.238 4.340 0.000 0.000 0.234 199 R C 2.119 178.336 176.300 -0.137 0.000 1.134 199 R CA 1.476 57.442 56.100 -0.223 0.000 0.952 199 R CB -0.233 29.821 30.300 -0.410 0.000 0.850 199 R HN 0.145 nan 8.270 nan 0.000 0.433 200 F N -0.213 119.741 119.950 0.007 0.000 2.186 200 F HA -0.172 4.355 4.527 0.000 0.000 0.299 200 F C 2.344 178.138 175.800 -0.011 0.000 1.090 200 F CA 0.460 58.460 58.000 -0.001 0.000 1.307 200 F CB -0.126 38.881 39.000 0.012 0.000 1.019 200 F HN -0.118 nan 8.300 nan 0.000 0.489 201 V N 0.022 120.033 119.914 0.162 0.000 2.407 201 V HA -0.286 3.835 4.120 0.000 0.000 0.248 201 V C 1.741 177.861 176.094 0.043 0.000 1.055 201 V CA 1.957 64.308 62.300 0.086 0.000 1.049 201 V CB -0.473 31.390 31.823 0.066 0.000 0.662 201 V HN 0.280 nan 8.190 nan 0.000 0.455 202 D N -0.277 120.141 120.400 0.030 0.000 2.183 202 D HA -0.114 4.526 4.640 0.000 0.000 0.203 202 D C 2.168 178.471 176.300 0.005 0.000 0.969 202 D CA 0.980 54.985 54.000 0.007 0.000 0.842 202 D CB -0.046 40.751 40.800 -0.006 0.000 0.957 202 D HN 0.571 nan 8.370 nan 0.000 0.484 203 E N 0.646 120.864 120.200 0.031 0.000 2.299 203 E HA -0.018 4.332 4.350 0.000 0.000 0.193 203 E C 1.061 177.658 176.600 -0.006 0.000 0.998 203 E CA 0.050 56.466 56.400 0.027 0.000 0.851 203 E CB 0.239 29.988 29.700 0.083 0.000 0.795 203 E HN 0.144 nan 8.360 nan 0.000 0.492 204 S N 0.394 116.091 115.700 -0.004 0.000 2.634 204 S HA 0.091 4.561 4.470 0.000 0.000 0.261 204 S C 1.095 175.622 174.600 -0.122 0.000 1.271 204 S CA -0.692 57.471 58.200 -0.061 0.000 0.985 204 S CB 0.806 63.983 63.200 -0.039 0.000 0.968 204 S HN 0.016 nan 8.310 nan 0.000 0.568 205 L N 0.490 121.590 121.223 -0.205 0.000 2.633 205 L HA 0.061 4.401 4.340 0.000 0.000 0.235 205 L C 1.918 178.661 176.870 -0.211 0.000 1.163 205 L CA 0.748 55.364 54.840 -0.372 0.000 0.859 205 L CB -1.678 39.996 42.059 -0.641 0.000 0.973 205 L HN 0.682 nan 8.230 nan 0.000 0.451 206 L N 0.038 121.203 121.223 -0.097 0.000 2.201 206 L HA -0.150 4.190 4.340 0.000 0.000 0.212 206 L C 2.625 179.490 176.870 -0.010 0.000 1.105 206 L CA 1.608 56.431 54.840 -0.030 0.000 0.775 206 L CB -0.421 41.627 42.059 -0.018 0.000 0.913 206 L HN 0.376 nan 8.230 nan 0.000 0.440 207 S N -3.858 111.823 115.700 -0.032 0.000 2.501 207 S HA -0.034 4.436 4.470 0.000 0.000 0.220 207 S C 1.568 176.162 174.600 -0.009 0.000 0.997 207 S CA 0.795 58.986 58.200 -0.015 0.000 0.919 207 S CB -0.415 62.772 63.200 -0.020 0.000 0.778 207 S HN 0.389 nan 8.310 nan 0.000 0.523 208 T N 2.300 116.829 114.554 -0.041 0.000 3.100 208 T HA 0.360 4.710 4.350 0.000 0.000 0.253 208 T C 0.519 175.324 174.700 0.175 0.000 1.118 208 T CA -0.150 61.951 62.100 0.001 0.000 1.058 208 T CB -0.286 68.480 68.868 -0.170 0.000 0.953 208 T HN 0.313 nan 8.240 nan 0.000 0.515 209 L N 3.407 124.736 121.223 0.177 0.000 2.483 209 L HA 0.189 4.529 4.340 0.000 0.000 0.276 209 L C -1.739 175.199 176.870 0.112 0.000 1.213 209 L CA -1.847 53.117 54.840 0.207 0.000 0.843 209 L CB 0.065 42.209 42.059 0.143 0.000 1.107 209 L HN -0.026 nan 8.230 nan 0.000 0.487 210 P HA 0.001 nan 4.420 nan 0.000 0.267 210 P C -0.810 176.509 177.300 0.031 0.000 1.209 210 P CA -0.306 62.819 63.100 0.042 0.000 0.763 210 P CB 0.805 32.515 31.700 0.015 0.000 0.816 211 A N 4.281 127.116 122.820 0.024 0.000 2.981 211 A HA 0.411 4.731 4.320 0.000 0.000 0.280 211 A C 1.364 178.951 177.584 0.006 0.000 1.743 211 A CA 0.093 52.140 52.037 0.017 0.000 1.430 211 A CB -1.115 17.894 19.000 0.015 0.000 1.085 211 A HN 0.632 nan 8.150 nan 0.000 0.597 212 G N 1.073 109.874 108.800 0.000 0.000 2.820 212 G HA2 0.323 4.283 3.960 0.000 0.000 0.158 212 G HA3 0.323 4.283 3.960 0.000 0.000 0.158 212 G C 0.186 175.075 174.900 -0.019 0.000 1.715 212 G CA -0.188 44.904 45.100 -0.015 0.000 1.057 212 G HN 0.594 nan 8.290 nan 0.000 0.525 213 K N -0.777 119.603 120.400 -0.033 0.000 2.464 213 K HA 0.444 4.764 4.320 0.000 0.000 0.253 213 K C -0.892 175.671 176.600 -0.062 0.000 0.933 213 K CA -0.489 55.775 56.287 -0.039 0.000 0.801 213 K CB 2.262 34.740 32.500 -0.037 0.000 1.271 213 K HN 0.387 nan 8.250 nan 0.000 0.430 214 S N 1.767 117.429 115.700 -0.065 0.000 2.549 214 S HA 0.110 4.580 4.470 0.000 0.000 0.283 214 S C 0.963 175.474 174.600 -0.149 0.000 1.320 214 S CA -0.369 57.765 58.200 -0.109 0.000 1.058 214 S CB 0.188 63.324 63.200 -0.107 0.000 0.882 214 S HN 0.541 nan 8.310 nan 0.000 0.498 215 L N 4.912 125.987 121.223 -0.246 0.000 2.558 215 L HA 0.180 4.520 4.340 0.000 0.000 0.225 215 L C 0.185 176.962 176.870 -0.156 0.000 1.128 215 L CA -0.157 54.523 54.840 -0.266 0.000 0.868 215 L CB -0.027 41.684 42.059 -0.579 0.000 1.006 215 L HN 0.440 nan 8.230 nan 0.000 0.454 216 V N 0.754 120.529 119.914 -0.231 0.000 2.458 216 V HA -0.081 4.039 4.120 0.000 0.000 0.287 216 V C 0.899 176.976 176.094 -0.028 0.000 1.009 216 V CA 0.274 62.495 62.300 -0.130 0.000 1.091 216 V CB 0.730 32.369 31.823 -0.308 0.000 0.960 216 V HN 0.227 nan 8.190 nan 0.000 0.476 217 S N 3.972 119.696 115.700 0.039 0.000 2.505 217 S HA 0.210 4.681 4.470 0.000 0.000 0.276 217 S C 1.006 175.613 174.600 0.011 0.000 1.274 217 S CA -0.485 57.728 58.200 0.023 0.000 1.053 217 S CB 0.648 63.862 63.200 0.024 0.000 0.919 217 S HN 0.833 nan 8.310 nan 0.000 0.490 218 K N 3.014 123.418 120.400 0.008 0.000 2.262 218 K HA 0.044 4.365 4.320 0.000 0.000 0.200 218 K C 0.841 177.453 176.600 0.019 0.000 1.049 218 K CA 0.399 56.693 56.287 0.012 0.000 0.979 218 K CB -0.023 32.481 32.500 0.008 0.000 0.773 218 K HN 0.741 nan 8.250 nan 0.000 0.474 219 S N 0.301 116.012 115.700 0.018 0.000 2.645 219 S HA 0.163 4.633 4.470 0.000 0.000 0.266 219 S C -0.299 174.320 174.600 0.031 0.000 1.258 219 S CA -0.881 57.333 58.200 0.023 0.000 0.990 219 S CB 1.148 64.359 63.200 0.018 0.000 0.967 219 S HN 0.121 nan 8.310 nan 0.000 0.556 220 E N 1.571 121.800 120.200 0.047 0.000 2.313 220 E HA 0.317 4.667 4.350 0.000 0.000 0.276 220 E C -2.295 174.355 176.600 0.084 0.000 1.031 220 E CA -1.693 54.751 56.400 0.074 0.000 0.857 220 E CB 0.063 29.829 29.700 0.110 0.000 1.040 220 E HN 0.469 nan 8.360 nan 0.000 0.408 221 P HA -0.006 nan 4.420 nan 0.000 0.269 221 P C -0.649 176.783 177.300 0.220 0.000 1.209 221 P CA -0.181 62.983 63.100 0.105 0.000 0.776 221 P CB 0.500 32.204 31.700 0.007 0.000 0.876 222 K N 2.747 123.222 120.400 0.126 0.000 2.350 222 K HA 0.330 4.650 4.320 0.000 0.000 0.279 222 K C -0.618 176.070 176.600 0.146 0.000 1.027 222 K CA -0.162 56.111 56.287 -0.024 0.000 0.969 222 K CB 0.000 32.460 32.500 -0.068 0.000 0.954 222 K HN 0.436 nan 8.250 nan 0.000 0.474 223 F N 1.377 121.264 119.950 -0.105 0.000 2.675 223 F HA 0.677 5.204 4.527 0.000 0.000 0.324 223 F C -1.437 174.099 175.800 -0.441 0.000 1.106 223 F CA -1.383 56.556 58.000 -0.102 0.000 0.970 223 F CB 0.830 39.793 39.000 -0.061 0.000 1.385 223 F HN 0.224 nan 8.300 nan 0.000 0.489 224 F N 0.931 120.965 119.950 0.140 0.000 2.588 224 F HA 0.811 5.338 4.527 0.000 0.000 0.314 224 F C -0.810 175.048 175.800 0.098 0.000 1.069 224 F CA -0.967 57.067 58.000 0.056 0.000 0.931 224 F CB 2.247 41.239 39.000 -0.014 0.000 1.260 224 F HN 0.391 nan 8.300 nan 0.000 0.465 225 L N 0.231 121.590 121.223 0.228 0.000 2.393 225 L HA 0.662 5.003 4.340 0.000 0.000 0.260 225 L C 0.512 177.416 176.870 0.056 0.000 1.002 225 L CA -0.881 54.034 54.840 0.125 0.000 0.818 225 L CB 2.210 44.343 42.059 0.123 0.000 1.369 225 L HN 0.826 nan 8.230 nan 0.000 0.412 226 G N 0.366 109.144 108.800 -0.036 0.000 2.153 226 G HA2 -0.186 3.774 3.960 0.000 0.000 0.252 226 G HA3 -0.186 3.774 3.960 0.000 0.000 0.252 226 G C 0.051 174.932 174.900 -0.032 0.000 0.994 226 G CA -0.130 44.916 45.100 -0.090 0.000 0.698 226 G HN 0.508 nan 8.290 nan 0.000 0.521 227 E N 0.529 120.732 120.200 0.006 0.000 2.283 227 E HA 0.574 4.924 4.350 0.000 0.000 0.271 227 E C 0.510 177.130 176.600 0.034 0.000 1.031 227 E CA 0.003 56.414 56.400 0.017 0.000 0.868 227 E CB 1.547 31.253 29.700 0.009 0.000 1.094 227 E HN 0.818 nan 8.360 nan 0.000 0.401 228 E N 1.318 121.541 120.200 0.039 0.000 2.390 228 E HA 0.543 4.893 4.350 0.000 0.000 0.277 228 E C -1.354 175.259 176.600 0.021 0.000 0.939 228 E CA -0.864 55.575 56.400 0.064 0.000 0.769 228 E CB 1.751 31.550 29.700 0.165 0.000 1.251 228 E HN 0.227 nan 8.360 nan 0.000 0.450 229 N N 0.411 119.100 118.700 -0.019 0.000 2.324 229 N HA 0.400 5.140 4.740 0.000 0.000 0.285 229 N C -1.858 173.610 175.510 -0.070 0.000 1.076 229 N CA -0.625 52.407 53.050 -0.031 0.000 0.864 229 N CB 1.959 40.426 38.487 -0.034 0.000 1.632 229 N HN 0.473 nan 8.380 nan 0.000 0.478 230 R N 1.486 121.960 120.500 -0.044 0.000 2.437 230 R HA 0.667 5.007 4.340 0.000 0.000 0.310 230 R C -1.178 175.104 176.300 -0.031 0.000 0.955 230 R CA -0.950 55.111 56.100 -0.064 0.000 0.851 230 R CB 1.879 32.146 30.300 -0.055 0.000 1.161 230 R HN 0.167 nan 8.270 nan 0.000 0.446 231 V N 3.923 123.817 119.914 -0.034 0.000 2.443 231 V HA 0.354 4.474 4.120 0.000 0.000 0.293 231 V C 0.166 176.288 176.094 0.046 0.000 1.021 231 V CA -0.983 61.319 62.300 0.004 0.000 0.848 231 V CB 1.633 33.449 31.823 -0.013 0.000 0.998 231 V HN 0.670 nan 8.190 nan 0.000 0.424 232 R N 3.695 124.235 120.500 0.067 0.000 2.537 232 R HA 0.492 4.832 4.340 0.000 0.000 0.280 232 R C -0.975 175.439 176.300 0.190 0.000 1.058 232 R CA 0.035 56.192 56.100 0.094 0.000 1.057 232 R CB 0.625 30.962 30.300 0.061 0.000 0.973 232 R HN 0.596 nan 8.270 nan 0.000 0.438 233 F N 2.624 122.565 119.950 -0.014 0.000 2.635 233 F HA 0.354 4.881 4.527 0.000 0.000 0.314 233 F C -1.181 174.610 175.800 -0.015 0.000 1.119 233 F CA -0.902 57.088 58.000 -0.017 0.000 1.000 233 F CB 1.198 40.183 39.000 -0.024 0.000 1.278 233 F HN 0.317 nan 8.300 nan 0.000 0.446 234 I N 6.468 126.560 120.570 -0.798 0.000 2.352 234 I HA 0.658 4.828 4.170 0.000 0.000 0.290 234 I C 0.621 176.174 176.117 -0.939 0.000 1.036 234 I CA 0.488 61.411 61.300 -0.629 0.000 1.336 234 I CB 0.366 38.120 38.000 -0.411 0.000 1.407 234 I HN 0.906 nan 8.210 nan 0.000 0.497 235 G N 5.442 114.003 108.800 -0.399 0.000 2.247 235 G HA2 -0.094 3.866 3.960 0.000 0.000 0.229 235 G HA3 -0.094 3.866 3.960 0.000 0.000 0.229 235 G C -1.377 173.562 174.900 0.065 0.000 1.345 235 G CA -0.823 44.181 45.100 -0.160 0.000 1.100 235 G HN 0.415 nan 8.290 nan 0.000 0.473 236 D N 0.888 121.397 120.400 0.182 0.000 2.372 236 D HA 0.562 5.202 4.640 0.000 0.000 0.243 236 D C 0.451 176.858 176.300 0.178 0.000 1.121 236 D CA 0.467 54.551 54.000 0.141 0.000 0.898 236 D CB 1.385 42.247 40.800 0.104 0.000 1.202 236 D HN 0.353 nan 8.370 nan 0.000 0.428 237 S N 0.145 115.910 115.700 0.110 0.000 2.585 237 S HA 0.553 5.023 4.470 0.000 0.000 0.277 237 S C -0.515 174.123 174.600 0.064 0.000 1.241 237 S CA -0.732 57.525 58.200 0.095 0.000 1.041 237 S CB 1.663 64.906 63.200 0.071 0.000 0.987 237 S HN 0.278 nan 8.310 nan 0.000 0.512 238 V N 1.591 121.530 119.914 0.042 0.000 2.733 238 V HA 0.842 4.963 4.120 0.000 0.000 0.306 238 V C -1.219 174.888 176.094 0.022 0.000 1.084 238 V CA -0.564 61.761 62.300 0.042 0.000 0.905 238 V CB 1.554 33.394 31.823 0.029 0.000 1.010 238 V HN 0.999 nan 8.190 nan 0.000 0.424 239 A N 5.361 128.218 122.820 0.062 0.000 2.330 239 A HA 1.030 5.350 4.320 0.000 0.000 0.313 239 A C -0.188 177.437 177.584 0.068 0.000 1.124 239 A CA 0.040 52.108 52.037 0.052 0.000 0.774 239 A CB 1.460 20.592 19.000 0.220 0.000 1.198 239 A HN 2.171 nan 8.150 nan 0.000 0.465 240 A N 2.312 125.102 122.820 -0.050 0.000 2.454 240 A HA 0.857 5.177 4.320 0.000 0.000 0.302 240 A C -0.572 176.990 177.584 -0.036 0.000 1.079 240 A CA -0.526 51.441 52.037 -0.118 0.000 0.731 240 A CB 1.018 19.896 19.000 -0.204 0.000 1.299 240 A HN 1.662 nan 8.150 nan 0.000 0.413 241 I N -0.865 119.640 120.570 -0.109 0.000 2.545 241 I HA 0.873 5.043 4.170 0.000 0.000 0.292 241 I C -0.044 176.039 176.117 -0.057 0.000 1.040 241 I CA -0.843 60.496 61.300 0.065 0.000 1.068 241 I CB 2.267 40.285 38.000 0.031 0.000 1.251 241 I HN 0.693 nan 8.210 nan 0.000 0.424 242 G N 6.409 115.242 108.800 0.055 0.000 2.513 242 G HA2 0.766 4.727 3.960 0.000 0.000 0.317 242 G HA3 0.766 4.727 3.960 0.000 0.000 0.317 242 G C -1.133 173.823 174.900 0.094 0.000 1.277 242 G CA -0.747 44.345 45.100 -0.014 0.000 0.955 242 G HN 0.644 nan 8.290 nan 0.000 0.484 243 I N 2.545 123.178 120.570 0.105 0.000 2.468 243 I HA 0.274 4.444 4.170 0.000 0.000 0.285 243 I C -2.542 173.499 176.117 -0.126 0.000 1.039 243 I CA -2.230 59.106 61.300 0.059 0.000 1.074 243 I CB 3.196 41.304 38.000 0.180 0.000 1.228 243 I HN 0.191 nan 8.210 nan 0.000 0.436 244 P HA 0.134 nan 4.420 nan 0.000 0.276 244 P C -0.807 176.247 177.300 -0.410 0.000 1.235 244 P CA -0.223 62.684 63.100 -0.322 0.000 0.772 244 P CB 0.937 32.265 31.700 -0.619 0.000 0.871 245 V N 1.279 121.021 119.914 -0.288 0.000 2.656 245 V HA 0.564 4.684 4.120 0.000 0.000 0.307 245 V C -0.295 175.716 176.094 -0.137 0.000 1.051 245 V CA -0.962 61.138 62.300 -0.333 0.000 0.893 245 V CB 1.930 33.430 31.823 -0.538 0.000 0.999 245 V HN 0.258 nan 8.190 nan 0.000 0.426 246 N N 3.002 121.646 118.700 -0.094 0.000 2.354 246 N HA 0.244 4.984 4.740 0.000 0.000 0.246 246 N C 0.857 176.384 175.510 0.027 0.000 1.285 246 N CA -0.176 52.872 53.050 -0.004 0.000 0.925 246 N CB 0.786 39.287 38.487 0.024 0.000 1.174 246 N HN 0.735 nan 8.380 nan 0.000 0.478 247 K N 0.584 121.011 120.400 0.044 0.000 2.147 247 K HA -0.104 4.217 4.320 0.000 0.000 0.205 247 K C 1.670 178.291 176.600 0.035 0.000 1.049 247 K CA 1.422 57.736 56.287 0.045 0.000 0.936 247 K CB -0.066 32.461 32.500 0.044 0.000 0.722 247 K HN 0.545 nan 8.250 nan 0.000 0.446 248 A N 0.896 123.739 122.820 0.038 0.000 1.897 248 A HA -0.061 4.259 4.320 0.000 0.000 0.215 248 A C 1.966 179.584 177.584 0.056 0.000 1.181 248 A CA 1.349 53.408 52.037 0.036 0.000 0.620 248 A CB -0.205 18.818 19.000 0.038 0.000 0.821 248 A HN 0.146 nan 8.150 nan 0.000 0.443 249 S N -0.073 115.680 115.700 0.088 0.000 2.603 249 S HA 0.064 4.534 4.470 0.000 0.000 0.220 249 S C 1.448 176.188 174.600 0.234 0.000 0.967 249 S CA 0.192 58.498 58.200 0.176 0.000 0.920 249 S CB -0.179 63.161 63.200 0.233 0.000 0.773 249 S HN 0.357 nan 8.310 nan 0.000 0.529 250 L N 2.436 123.733 121.223 0.123 0.000 1.989 250 L HA -0.121 4.219 4.340 0.000 0.000 0.211 250 L C 2.532 179.484 176.870 0.135 0.000 1.071 250 L CA 2.001 56.911 54.840 0.117 0.000 0.749 250 L CB -1.143 40.947 42.059 0.050 0.000 0.890 250 L HN 0.335 nan 8.230 nan 0.000 0.431 251 A N -0.825 122.014 122.820 0.030 0.000 1.940 251 A HA -0.293 4.027 4.320 0.000 0.000 0.219 251 A C 2.162 179.839 177.584 0.155 0.000 1.176 251 A CA 1.864 53.890 52.037 -0.018 0.000 0.631 251 A CB -0.722 18.143 19.000 -0.225 0.000 0.814 251 A HN 0.735 nan 8.150 nan 0.000 0.446 252 Q N -2.349 117.521 119.800 0.116 0.000 2.230 252 Q HA -0.152 4.188 4.340 0.000 0.000 0.202 252 Q C 1.603 177.526 176.000 -0.128 0.000 0.963 252 Q CA 1.652 57.465 55.803 0.017 0.000 0.866 252 Q CB -0.499 28.225 28.738 -0.022 0.000 0.931 252 Q HN 0.671 nan 8.270 nan 0.000 0.452 253 Y N 0.807 121.091 120.300 -0.027 0.000 2.475 253 Y HA 0.038 4.588 4.550 0.000 0.000 0.289 253 Y C 2.286 178.225 175.900 0.065 0.000 1.121 253 Y CA 0.695 58.736 58.100 -0.098 0.000 1.257 253 Y CB 0.345 38.781 38.460 -0.041 0.000 1.026 253 Y HN 0.145 nan 8.280 nan 0.000 0.555 254 E N 0.135 120.494 120.200 0.265 0.000 2.047 254 E HA -0.144 4.206 4.350 0.000 0.000 0.191 254 E C 2.474 179.195 176.600 0.202 0.000 0.987 254 E CA 1.602 58.172 56.400 0.282 0.000 0.799 254 E CB -0.437 29.524 29.700 0.435 0.000 0.752 254 E HN 0.386 nan 8.360 nan 0.000 0.449 255 V N -0.137 119.880 119.914 0.172 0.000 2.515 255 V HA -0.183 3.937 4.120 0.000 0.000 0.250 255 V C 2.471 178.602 176.094 0.062 0.000 1.058 255 V CA 1.502 63.852 62.300 0.084 0.000 1.064 255 V CB -0.807 31.052 31.823 0.061 0.000 0.675 255 V HN 0.123 nan 8.190 nan 0.000 0.461 256 L N 1.743 122.931 121.223 -0.058 0.000 2.017 256 L HA 0.079 4.419 4.340 0.000 0.000 0.208 256 L C 2.683 179.622 176.870 0.114 0.000 1.073 256 L CA 2.442 57.188 54.840 -0.157 0.000 0.745 256 L CB -1.207 40.434 42.059 -0.696 0.000 0.894 256 L HN 0.316 nan 8.230 nan 0.000 0.432 257 A N -0.256 122.712 122.820 0.246 0.000 1.883 257 A HA -0.288 4.032 4.320 0.000 0.000 0.217 257 A C 2.100 179.809 177.584 0.207 0.000 1.186 257 A CA 2.346 54.585 52.037 0.337 0.000 0.624 257 A CB -1.107 18.076 19.000 0.305 0.000 0.822 257 A HN 0.653 nan 8.150 nan 0.000 0.444 258 N N -1.987 116.825 118.700 0.186 0.000 2.188 258 N HA -0.140 4.600 4.740 0.000 0.000 0.184 258 N C 1.603 177.268 175.510 0.258 0.000 1.018 258 N CA 1.528 54.702 53.050 0.205 0.000 0.858 258 N CB -0.384 38.200 38.487 0.162 0.000 0.989 258 N HN 0.664 nan 8.380 nan 0.000 0.426 259 Y N 1.500 121.856 120.300 0.094 0.000 2.114 259 Y HA -0.077 4.473 4.550 0.000 0.000 0.284 259 Y C 1.672 177.584 175.900 0.019 0.000 1.143 259 Y CA 1.407 59.527 58.100 0.033 0.000 1.135 259 Y CB -0.422 38.027 38.460 -0.018 0.000 0.980 259 Y HN -0.017 nan 8.280 nan 0.000 0.499 260 L N -0.543 120.673 121.223 -0.011 0.000 2.265 260 L HA -0.184 4.157 4.340 0.000 0.000 0.215 260 L C 1.806 178.625 176.870 -0.085 0.000 1.117 260 L CA 1.664 56.445 54.840 -0.099 0.000 0.782 260 L CB -0.659 41.454 42.059 0.091 0.000 0.914 260 L HN 0.271 nan 8.230 nan 0.000 0.441 261 T N -1.660 112.886 114.554 -0.014 0.000 3.044 261 T HA 0.045 4.395 4.350 0.000 0.000 0.250 261 T C 1.067 175.763 174.700 -0.008 0.000 1.081 261 T CA 0.351 62.458 62.100 0.011 0.000 1.040 261 T CB 0.127 69.036 68.868 0.068 0.000 0.962 261 T HN 0.420 nan 8.240 nan 0.000 0.506 262 S N 0.861 116.521 115.700 -0.065 0.000 2.681 262 S HA 0.661 5.132 4.470 0.000 0.000 0.270 262 S C 1.549 176.012 174.600 -0.228 0.000 1.209 262 S CA -0.323 57.781 58.200 -0.159 0.000 0.988 262 S CB 1.180 64.157 63.200 -0.371 0.000 1.006 262 S HN 0.152 nan 8.310 nan 0.000 0.558 263 A N -0.024 122.649 122.820 -0.246 0.000 2.235 263 A HA 0.245 4.566 4.320 0.000 0.000 0.208 263 A C 1.817 179.277 177.584 -0.207 0.000 1.172 263 A CA 0.246 52.169 52.037 -0.190 0.000 0.786 263 A CB -0.958 17.952 19.000 -0.151 0.000 0.804 263 A HN 0.786 nan 8.150 nan 0.000 0.479 264 L N -0.843 120.217 121.223 -0.272 0.000 2.217 264 L HA 0.011 4.352 4.340 0.000 0.000 0.211 264 L C 1.407 178.117 176.870 -0.266 0.000 1.107 264 L CA 0.594 55.310 54.840 -0.205 0.000 0.783 264 L CB -0.144 41.837 42.059 -0.130 0.000 0.919 264 L HN 0.365 nan 8.230 nan 0.000 0.442 265 S N -0.267 115.143 115.700 -0.483 0.000 2.508 265 S HA 0.160 4.630 4.470 0.000 0.000 0.284 265 S C 0.709 175.164 174.600 -0.241 0.000 1.192 265 S CA -0.620 57.269 58.200 -0.520 0.000 1.070 265 S CB 1.096 63.777 63.200 -0.865 0.000 1.004 265 S HN 0.206 nan 8.310 nan 0.000 0.493 266 E N 2.760 122.879 120.200 -0.136 0.000 2.494 266 E HA 0.028 4.379 4.350 0.000 0.000 0.193 266 E C 0.559 177.122 176.600 -0.062 0.000 1.074 266 E CA 0.213 56.567 56.400 -0.077 0.000 0.867 266 E CB -0.083 29.594 29.700 -0.038 0.000 0.924 266 E HN 0.606 nan 8.360 nan 0.000 0.502 267 L N -3.074 118.100 121.223 -0.081 0.000 2.906 267 L HA 0.275 4.615 4.340 0.000 0.000 0.255 267 L C 1.647 178.485 176.870 -0.053 0.000 1.166 267 L CA -0.014 54.798 54.840 -0.047 0.000 0.977 267 L CB -0.082 41.965 42.059 -0.019 0.000 1.313 267 L HN -0.120 nan 8.230 nan 0.000 0.549 268 S N -0.258 115.389 115.700 -0.088 0.000 2.423 268 S HA 0.002 4.472 4.470 0.000 0.000 0.231 268 S C 1.813 176.391 174.600 -0.036 0.000 1.014 268 S CA 0.855 59.011 58.200 -0.072 0.000 0.965 268 S CB -1.042 62.094 63.200 -0.106 0.000 0.785 268 S HN 0.491 nan 8.310 nan 0.000 0.495 269 G N 0.392 109.171 108.800 -0.034 0.000 2.848 269 G HA2 0.253 4.213 3.960 0.000 0.000 0.208 269 G HA3 0.253 4.213 3.960 0.000 0.000 0.208 269 G C 0.966 175.864 174.900 -0.005 0.000 1.152 269 G CA 0.154 45.243 45.100 -0.018 0.000 0.789 269 G HN 0.465 nan 8.290 nan 0.000 0.531 270 L N 0.356 121.578 121.223 -0.002 0.000 2.590 270 L HA 0.422 4.763 4.340 0.000 0.000 0.227 270 L C 0.964 177.848 176.870 0.023 0.000 1.099 270 L CA 0.048 54.894 54.840 0.011 0.000 0.872 270 L CB 0.197 42.262 42.059 0.011 0.000 1.088 270 L HN 0.345 nan 8.230 nan 0.000 0.479 271 I N -4.939 115.644 120.570 0.022 0.000 2.441 271 I HA 0.419 4.589 4.170 0.000 0.000 0.295 271 I C 0.790 176.934 176.117 0.045 0.000 0.994 271 I CA -0.235 61.089 61.300 0.039 0.000 1.144 271 I CB 1.904 39.927 38.000 0.038 0.000 1.314 271 I HN -0.201 nan 8.210 nan 0.000 0.445 272 S N 3.066 118.807 115.700 0.068 0.000 2.377 272 S HA 0.003 4.474 4.470 0.000 0.000 0.223 272 S C 0.784 175.423 174.600 0.065 0.000 1.030 272 S CA 0.746 58.981 58.200 0.058 0.000 0.970 272 S CB -0.076 63.160 63.200 0.060 0.000 0.830 272 S HN 0.805 nan 8.310 nan 0.000 0.473 273 S N -0.898 114.877 115.700 0.124 0.000 2.537 273 S HA 0.695 5.165 4.470 0.000 0.000 0.271 273 S C -2.046 172.646 174.600 0.154 0.000 1.148 273 S CA -0.285 57.998 58.200 0.138 0.000 0.868 273 S CB 1.692 64.971 63.200 0.133 0.000 1.115 273 S HN 0.441 nan 8.310 nan 0.000 0.461 274 A N 3.327 126.186 122.820 0.066 0.000 2.465 274 A HA 0.818 5.138 4.320 0.000 0.000 0.292 274 A C -1.054 176.492 177.584 -0.063 0.000 1.041 274 A CA -0.784 51.209 52.037 -0.074 0.000 0.718 274 A CB 1.129 20.116 19.000 -0.021 0.000 1.266 274 A HN 0.993 nan 8.150 nan 0.000 0.403 275 K N 0.648 120.931 120.400 -0.194 0.000 2.578 275 K HA 0.801 5.121 4.320 0.000 0.000 0.287 275 K C -1.931 174.627 176.600 -0.069 0.000 1.010 275 K CA -0.917 55.338 56.287 -0.053 0.000 0.889 275 K CB 1.517 34.032 32.500 0.024 0.000 1.514 275 K HN 0.770 nan 8.250 nan 0.000 0.424 276 L N 1.539 122.814 121.223 0.087 0.000 2.343 276 L HA 0.439 4.779 4.340 0.000 0.000 0.278 276 L C -1.609 175.314 176.870 0.089 0.000 0.996 276 L CA -0.147 54.783 54.840 0.150 0.000 0.831 276 L CB 1.510 43.723 42.059 0.257 0.000 1.232 276 L HN 0.590 nan 8.230 nan 0.000 0.413 277 D N 5.150 125.602 120.400 0.088 0.000 2.316 277 D HA 0.235 4.876 4.640 0.000 0.000 0.245 277 D C -0.439 175.781 176.300 -0.133 0.000 1.171 277 D CA 0.018 54.013 54.000 -0.009 0.000 0.856 277 D CB 1.036 41.935 40.800 0.164 0.000 1.090 277 D HN 0.461 nan 8.370 nan 0.000 0.476 278 K N 2.261 122.511 120.400 -0.251 0.000 2.183 278 K HA 0.488 4.808 4.320 0.000 0.000 0.274 278 K C -0.420 175.911 176.600 -0.449 0.000 1.009 278 K CA -0.409 55.763 56.287 -0.193 0.000 0.888 278 K CB 1.225 33.694 32.500 -0.050 0.000 1.078 278 K HN 0.215 nan 8.250 nan 0.000 0.459 279 F N -0.658 119.332 119.950 0.066 0.000 2.631 279 F HA 0.179 4.706 4.527 0.000 0.000 0.328 279 F C 1.806 177.633 175.800 0.046 0.000 1.067 279 F CA -0.935 57.093 58.000 0.046 0.000 0.969 279 F CB 1.652 40.649 39.000 -0.006 0.000 1.332 279 F HN 0.629 nan 8.300 nan 0.000 0.490 280 T N -3.576 111.126 114.554 0.246 0.000 2.962 280 T HA -0.133 4.217 4.350 0.000 0.000 0.270 280 T C 0.672 175.443 174.700 0.119 0.000 1.088 280 T CA 1.552 63.743 62.100 0.153 0.000 1.127 280 T CB -0.479 68.468 68.868 0.132 0.000 0.883 280 T HN 0.599 nan 8.240 nan 0.000 0.493 281 D N 0.112 120.586 120.400 0.124 0.000 2.402 281 D HA 0.479 5.119 4.640 0.000 0.000 0.216 281 D C 1.010 177.358 176.300 0.081 0.000 1.128 281 D CA 0.063 54.107 54.000 0.073 0.000 0.833 281 D CB 0.131 40.947 40.800 0.026 0.000 0.971 281 D HN 0.660 nan 8.370 nan 0.000 0.503 282 G N -1.771 107.108 108.800 0.133 0.000 2.334 282 G HA2 0.474 4.434 3.960 0.000 0.000 0.249 282 G HA3 0.474 4.434 3.960 0.000 0.000 0.249 282 G C -0.573 174.467 174.900 0.234 0.000 1.327 282 G CA -0.284 44.894 45.100 0.130 0.000 0.979 282 G HN 0.802 nan 8.290 nan 0.000 0.471 283 G N -1.684 107.252 108.800 0.227 0.000 2.495 283 G HA2 0.687 4.648 3.960 0.000 0.000 0.294 283 G HA3 0.687 4.648 3.960 0.000 0.000 0.294 283 G C -2.314 172.754 174.900 0.281 0.000 1.397 283 G CA 0.093 45.392 45.100 0.331 0.000 0.790 283 G HN 1.735 nan 8.290 nan 0.000 0.486 284 L N 0.303 121.692 121.223 0.276 0.000 2.439 284 L HA 0.773 5.113 4.340 0.000 0.000 0.270 284 L C -1.442 175.484 176.870 0.092 0.000 0.972 284 L CA -0.876 54.053 54.840 0.148 0.000 0.836 284 L CB 1.578 43.666 42.059 0.049 0.000 1.255 284 L HN 0.579 nan 8.230 nan 0.000 0.404 285 F N 4.581 124.482 119.950 -0.083 0.000 2.411 285 F HA 0.707 5.235 4.527 0.000 0.000 0.350 285 F C 0.051 175.810 175.800 -0.069 0.000 1.114 285 F CA 0.101 58.084 58.000 -0.030 0.000 1.135 285 F CB 1.115 40.132 39.000 0.028 0.000 1.120 285 F HN 0.655 nan 8.300 nan 0.000 0.495 286 T N 5.558 119.620 114.554 -0.820 0.000 2.876 286 T HA 0.634 4.984 4.350 0.000 0.000 0.289 286 T C -1.344 172.735 174.700 -1.034 0.000 1.014 286 T CA -0.850 60.786 62.100 -0.774 0.000 0.986 286 T CB 1.706 70.292 68.868 -0.470 0.000 1.021 286 T HN 0.847 nan 8.240 nan 0.000 0.458 287 L N 2.780 123.453 121.223 -0.916 0.000 2.409 287 L HA 0.799 5.139 4.340 0.000 0.000 0.272 287 L C -1.969 174.521 176.870 -0.634 0.000 0.980 287 L CA -1.021 53.472 54.840 -0.579 0.000 0.826 287 L CB 1.262 43.186 42.059 -0.225 0.000 1.268 287 L HN 0.763 nan 8.230 nan 0.000 0.407 288 F N 4.070 123.981 119.950 -0.066 0.000 2.532 288 F HA 0.667 5.194 4.527 0.000 0.000 0.321 288 F C -0.335 175.457 175.800 -0.013 0.000 1.089 288 F CA -0.905 57.073 58.000 -0.035 0.000 0.926 288 F CB 2.192 41.162 39.000 -0.049 0.000 1.168 288 F HN 0.009 nan 8.300 nan 0.000 0.459 289 V N 3.463 123.485 119.914 0.180 0.000 2.444 289 V HA 0.575 4.696 4.120 0.000 0.000 0.294 289 V C -0.534 175.623 176.094 0.106 0.000 1.022 289 V CA -0.788 61.582 62.300 0.115 0.000 0.850 289 V CB 1.735 33.613 31.823 0.091 0.000 0.992 289 V HN 0.778 nan 8.190 nan 0.000 0.426 290 R N 3.032 123.578 120.500 0.077 0.000 2.628 290 R HA 0.742 5.082 4.340 0.000 0.000 0.288 290 R C -1.875 174.450 176.300 0.042 0.000 0.980 290 R CA -0.378 55.754 56.100 0.053 0.000 0.891 290 R CB 2.230 32.547 30.300 0.028 0.000 1.188 290 R HN 0.877 nan 8.270 nan 0.000 0.450 291 D N 0.478 120.905 120.400 0.044 0.000 2.685 291 D HA -0.030 4.610 4.640 0.000 0.000 0.236 291 D C 0.309 176.634 176.300 0.042 0.000 1.233 291 D CA -0.413 53.610 54.000 0.038 0.000 0.760 291 D CB 1.572 42.394 40.800 0.036 0.000 1.410 291 D HN 0.591 nan 8.370 nan 0.000 0.439 292 Q N 0.673 120.494 119.800 0.034 0.000 2.224 292 Q HA -0.039 4.302 4.340 0.000 0.000 0.203 292 Q C -0.051 175.967 176.000 0.030 0.000 0.970 292 Q CA 0.784 56.606 55.803 0.031 0.000 0.865 292 Q CB 0.111 28.861 28.738 0.020 0.000 0.922 292 Q HN 0.279 nan 8.270 nan 0.000 0.445 293 D N 1.143 121.561 120.400 0.029 0.000 2.317 293 D HA 0.074 4.714 4.640 0.000 0.000 0.234 293 D C 0.604 176.926 176.300 0.036 0.000 1.112 293 D CA -0.059 53.958 54.000 0.028 0.000 0.840 293 D CB 1.580 42.395 40.800 0.024 0.000 1.078 293 D HN 0.225 nan 8.370 nan 0.000 0.486 294 S N 2.809 118.531 115.700 0.038 0.000 2.419 294 S HA -0.153 4.317 4.470 0.000 0.000 0.233 294 S C 1.952 176.579 174.600 0.045 0.000 1.016 294 S CA 0.727 58.953 58.200 0.044 0.000 0.974 294 S CB -0.147 63.079 63.200 0.043 0.000 0.786 294 S HN 0.454 nan 8.310 nan 0.000 0.492 295 A N 1.545 124.388 122.820 0.039 0.000 1.930 295 A HA 0.096 4.416 4.320 0.000 0.000 0.217 295 A C 2.368 179.975 177.584 0.038 0.000 1.175 295 A CA 1.492 53.552 52.037 0.039 0.000 0.627 295 A CB -0.968 18.052 19.000 0.032 0.000 0.815 295 A HN 0.434 nan 8.150 nan 0.000 0.443 296 V N -0.377 119.559 119.914 0.036 0.000 2.358 296 V HA -0.205 3.915 4.120 0.000 0.000 0.246 296 V C 2.573 178.693 176.094 0.043 0.000 1.047 296 V CA 1.882 64.203 62.300 0.035 0.000 1.035 296 V CB -0.742 31.099 31.823 0.030 0.000 0.658 296 V HN 0.367 nan 8.190 nan 0.000 0.452 297 V N -0.052 119.892 119.914 0.050 0.000 2.332 297 V HA -0.263 3.857 4.120 0.000 0.000 0.248 297 V C 2.573 178.710 176.094 0.071 0.000 1.055 297 V CA 2.367 64.705 62.300 0.063 0.000 1.038 297 V CB -0.819 31.044 31.823 0.068 0.000 0.651 297 V HN 0.546 nan 8.190 nan 0.000 0.450 298 S N 0.174 115.914 115.700 0.067 0.000 2.353 298 S HA -0.217 4.253 4.470 0.000 0.000 0.222 298 S C 2.244 176.878 174.600 0.056 0.000 1.035 298 S CA 1.874 60.115 58.200 0.069 0.000 1.025 298 S CB -0.407 62.831 63.200 0.064 0.000 0.902 298 S HN 0.628 nan 8.310 nan 0.000 0.440 299 S N 2.307 118.035 115.700 0.046 0.000 2.359 299 S HA -0.149 4.321 4.470 0.000 0.000 0.222 299 S C 1.809 176.431 174.600 0.036 0.000 1.038 299 S CA 1.489 59.712 58.200 0.037 0.000 1.051 299 S CB -0.734 62.485 63.200 0.031 0.000 0.944 299 S HN 0.444 nan 8.310 nan 0.000 0.433 300 N N 1.322 120.045 118.700 0.039 0.000 2.043 300 N HA -0.065 4.675 4.740 0.000 0.000 0.193 300 N C 1.628 177.162 175.510 0.040 0.000 1.037 300 N CA 0.961 54.033 53.050 0.037 0.000 0.851 300 N CB -0.628 37.883 38.487 0.039 0.000 1.027 300 N HN 0.283 nan 8.380 nan 0.000 0.422 301 I N 1.299 121.902 120.570 0.056 0.000 2.286 301 I HA -0.209 3.961 4.170 0.000 0.000 0.248 301 I C 1.715 177.850 176.117 0.030 0.000 1.115 301 I CA 1.485 62.821 61.300 0.059 0.000 1.392 301 I CB -0.110 37.960 38.000 0.117 0.000 1.065 301 I HN 0.065 nan 8.210 nan 0.000 0.418 302 K N 0.011 120.429 120.400 0.030 0.000 2.097 302 K HA -0.241 4.079 4.320 0.000 0.000 0.206 302 K C 2.220 178.831 176.600 0.018 0.000 1.049 302 K CA 1.613 57.912 56.287 0.019 0.000 0.933 302 K CB -0.181 32.334 32.500 0.025 0.000 0.717 302 K HN 0.303 nan 8.250 nan 0.000 0.442 303 K N 0.891 121.303 120.400 0.021 0.000 2.062 303 K HA -0.094 4.226 4.320 0.000 0.000 0.205 303 K C 2.008 178.619 176.600 0.018 0.000 1.051 303 K CA 0.819 57.117 56.287 0.020 0.000 0.941 303 K CB 0.111 32.623 32.500 0.020 0.000 0.719 303 K HN -0.060 nan 8.250 nan 0.000 0.440 304 I N 1.378 121.959 120.570 0.018 0.000 2.163 304 I HA -0.242 3.928 4.170 0.000 0.000 0.243 304 I C 2.338 178.457 176.117 0.003 0.000 1.085 304 I CA 1.161 62.471 61.300 0.017 0.000 1.347 304 I CB -1.069 36.941 38.000 0.017 0.000 1.044 304 I HN 0.043 nan 8.210 nan 0.000 0.408 305 V N 1.258 121.160 119.914 -0.020 0.000 2.427 305 V HA -0.205 3.916 4.120 0.000 0.000 0.248 305 V C 2.819 178.912 176.094 -0.001 0.000 1.051 305 V CA 1.601 63.872 62.300 -0.048 0.000 1.048 305 V CB -1.106 30.690 31.823 -0.046 0.000 0.666 305 V HN 0.450 nan 8.190 nan 0.000 0.456 306 A N 0.047 122.876 122.820 0.014 0.000 1.877 306 A HA -0.250 4.070 4.320 0.000 0.000 0.216 306 A C 1.987 179.583 177.584 0.020 0.000 1.186 306 A CA 2.120 54.169 52.037 0.020 0.000 0.620 306 A CB -0.627 18.385 19.000 0.019 0.000 0.822 306 A HN 0.518 nan 8.150 nan 0.000 0.443 307 D N -0.096 120.319 120.400 0.025 0.000 2.144 307 D HA -0.060 4.580 4.640 0.000 0.000 0.200 307 D C 1.861 178.189 176.300 0.047 0.000 0.978 307 D CA 0.800 54.822 54.000 0.036 0.000 0.833 307 D CB -0.263 40.564 40.800 0.045 0.000 0.961 307 D HN 0.440 nan 8.370 nan 0.000 0.470 308 L N 0.199 121.453 121.223 0.051 0.000 2.217 308 L HA -0.064 4.277 4.340 0.000 0.000 0.211 308 L C 2.160 179.037 176.870 0.011 0.000 1.107 308 L CA 0.856 55.743 54.840 0.079 0.000 0.783 308 L CB -0.106 42.017 42.059 0.107 0.000 0.919 308 L HN -0.050 nan 8.230 nan 0.000 0.442 309 K N 0.123 120.523 120.400 -0.001 0.000 2.228 309 K HA -0.144 4.176 4.320 0.000 0.000 0.202 309 K C 2.067 178.649 176.600 -0.030 0.000 1.051 309 K CA 0.613 56.889 56.287 -0.019 0.000 0.960 309 K CB 0.090 32.598 32.500 0.014 0.000 0.743 309 K HN 0.117 nan 8.250 nan 0.000 0.458 310 K N 0.624 121.017 120.400 -0.011 0.000 2.365 310 K HA -0.056 4.264 4.320 0.000 0.000 0.199 310 K C 0.071 176.657 176.600 -0.023 0.000 1.045 310 K CA 0.887 57.167 56.287 -0.010 0.000 0.962 310 K CB 0.105 32.609 32.500 0.006 0.000 0.759 310 K HN 0.237 nan 8.250 nan 0.000 0.469 311 G N 1.087 109.868 108.800 -0.032 0.000 2.719 311 G HA2 -0.141 3.819 3.960 0.000 0.000 0.686 311 G HA3 -0.141 3.819 3.960 0.000 0.000 0.686 311 G C -1.503 173.394 174.900 -0.004 0.000 1.201 311 G CA -0.603 44.467 45.100 -0.049 0.000 0.768 311 G HN 0.178 nan 8.290 nan 0.000 0.629 312 K N 0.015 120.415 120.400 0.000 0.000 2.502 312 K HA 0.594 4.914 4.320 0.000 0.000 0.257 312 K C -1.243 175.293 176.600 -0.106 0.000 0.938 312 K CA -0.845 55.426 56.287 -0.026 0.000 0.819 312 K CB 2.019 34.520 32.500 0.002 0.000 1.333 312 K HN 0.636 nan 8.250 nan 0.000 0.434 313 D N 2.880 123.189 120.400 -0.151 0.000 2.396 313 D HA 0.191 4.831 4.640 0.000 0.000 0.225 313 D C 0.296 176.405 176.300 -0.318 0.000 1.121 313 D CA -0.122 53.780 54.000 -0.164 0.000 0.853 313 D CB 0.580 41.325 40.800 -0.091 0.000 1.043 313 D HN 0.472 nan 8.370 nan 0.000 0.500 314 L N 2.415 123.448 121.223 -0.317 0.000 2.558 314 L HA 0.030 4.370 4.340 0.000 0.000 0.225 314 L C 2.090 178.852 176.870 -0.180 0.000 1.128 314 L CA -0.101 54.506 54.840 -0.389 0.000 0.868 314 L CB -0.196 41.678 42.059 -0.308 0.000 1.006 314 L HN 0.296 nan 8.230 nan 0.000 0.454 315 S N 1.211 116.845 115.700 -0.111 0.000 2.372 315 S HA -0.143 4.327 4.470 0.000 0.000 0.227 315 S C -0.378 174.209 174.600 -0.021 0.000 1.044 315 S CA 1.702 59.874 58.200 -0.046 0.000 1.050 315 S CB -1.131 62.050 63.200 -0.032 0.000 0.901 315 S HN 0.351 nan 8.310 nan 0.000 0.447 316 P HA 0.060 nan 4.420 nan 0.000 0.225 316 P C 0.788 178.114 177.300 0.044 0.000 1.148 316 P CA 1.088 64.198 63.100 0.016 0.000 0.779 316 P CB -0.038 31.681 31.700 0.031 0.000 0.780 317 A N -1.577 121.280 122.820 0.060 0.000 2.275 317 A HA 0.068 4.388 4.320 0.000 0.000 0.212 317 A C 1.804 179.441 177.584 0.088 0.000 1.201 317 A CA -0.039 52.074 52.037 0.126 0.000 0.843 317 A CB -1.143 17.993 19.000 0.227 0.000 0.873 317 A HN 0.071 nan 8.150 nan 0.000 0.492 318 I N 0.729 121.318 120.570 0.031 0.000 2.179 318 I HA -0.235 3.935 4.170 0.000 0.000 0.242 318 I C 1.727 177.814 176.117 -0.049 0.000 1.088 318 I CA 1.748 63.040 61.300 -0.012 0.000 1.357 318 I CB -0.274 37.736 38.000 0.016 0.000 1.051 318 I HN 0.291 nan 8.210 nan 0.000 0.409 319 N N -0.687 118.016 118.700 0.007 0.000 2.244 319 N HA -0.233 4.507 4.740 0.000 0.000 0.183 319 N C 1.913 177.434 175.510 0.018 0.000 1.016 319 N CA 1.393 54.445 53.050 0.003 0.000 0.866 319 N CB -0.563 37.942 38.487 0.030 0.000 0.980 319 N HN 0.575 nan 8.380 nan 0.000 0.430 320 Y N 1.691 121.944 120.300 -0.078 0.000 2.200 320 Y HA -0.153 4.397 4.550 0.000 0.000 0.290 320 Y C 2.218 178.046 175.900 -0.119 0.000 1.137 320 Y CA 1.405 59.462 58.100 -0.071 0.000 1.163 320 Y CB -0.155 38.284 38.460 -0.035 0.000 0.988 320 Y HN -0.026 nan 8.280 nan 0.000 0.518 321 T N 0.478 114.942 114.554 -0.151 0.000 2.821 321 T HA -0.150 4.200 4.350 0.000 0.000 0.267 321 T C 1.654 176.039 174.700 -0.526 0.000 1.046 321 T CA 1.617 63.502 62.100 -0.359 0.000 1.139 321 T CB -0.149 68.488 68.868 -0.385 0.000 0.871 321 T HN 0.296 nan 8.240 nan 0.000 0.454 322 K N 0.855 120.959 120.400 -0.493 0.000 2.097 322 K HA 0.014 4.335 4.320 0.000 0.000 0.206 322 K C 2.227 178.695 176.600 -0.220 0.000 1.049 322 K CA 0.775 56.831 56.287 -0.385 0.000 0.933 322 K CB -0.271 32.110 32.500 -0.199 0.000 0.717 322 K HN 0.205 nan 8.250 nan 0.000 0.442 323 L N 1.331 122.427 121.223 -0.212 0.000 2.023 323 L HA -0.148 4.192 4.340 0.000 0.000 0.205 323 L C 1.861 178.603 176.870 -0.214 0.000 1.073 323 L CA 1.882 56.617 54.840 -0.176 0.000 0.745 323 L CB -0.316 41.645 42.059 -0.163 0.000 0.900 323 L HN -0.019 nan 8.230 nan 0.000 0.435 324 K N 0.522 120.723 120.400 -0.331 0.000 2.097 324 K HA -0.157 4.163 4.320 0.000 0.000 0.206 324 K C 1.990 178.493 176.600 -0.162 0.000 1.049 324 K CA 1.414 57.526 56.287 -0.293 0.000 0.933 324 K CB -0.428 31.823 32.500 -0.415 0.000 0.717 324 K HN 0.406 nan 8.250 nan 0.000 0.442 325 N N -0.014 118.596 118.700 -0.151 0.000 2.188 325 N HA -0.135 4.605 4.740 0.000 0.000 0.184 325 N C 1.537 177.045 175.510 -0.003 0.000 1.018 325 N CA 1.245 54.277 53.050 -0.031 0.000 0.858 325 N CB 0.066 38.580 38.487 0.045 0.000 0.989 325 N HN 0.181 nan 8.380 nan 0.000 0.426 326 A N 1.123 123.923 122.820 -0.034 0.000 1.898 326 A HA -0.095 4.226 4.320 0.000 0.000 0.216 326 A C 2.465 180.036 177.584 -0.023 0.000 1.181 326 A CA 1.871 53.900 52.037 -0.013 0.000 0.620 326 A CB -0.932 18.053 19.000 -0.024 0.000 0.819 326 A HN 0.295 nan 8.150 nan 0.000 0.442 327 V N -1.885 118.000 119.914 -0.047 0.000 2.427 327 V HA -0.274 3.846 4.120 0.000 0.000 0.248 327 V C 2.295 178.370 176.094 -0.031 0.000 1.051 327 V CA 2.350 64.624 62.300 -0.043 0.000 1.048 327 V CB -1.177 30.610 31.823 -0.059 0.000 0.666 327 V HN 0.659 nan 8.190 nan 0.000 0.456 328 Q N 0.886 120.669 119.800 -0.028 0.000 2.170 328 Q HA -0.119 4.221 4.340 0.000 0.000 0.203 328 Q C 0.407 176.406 176.000 -0.002 0.000 0.976 328 Q CA 1.117 56.912 55.803 -0.014 0.000 0.858 328 Q CB -0.044 28.691 28.738 -0.005 0.000 0.907 328 Q HN 0.727 nan 8.270 nan 0.000 0.433 329 N N 0.765 119.467 118.700 0.005 0.000 2.520 329 N HA 0.017 4.757 4.740 0.000 0.000 0.273 329 N C 0.114 175.623 175.510 -0.001 0.000 1.155 329 N CA 0.350 53.406 53.050 0.010 0.000 0.967 329 N CB 1.614 40.116 38.487 0.026 0.000 1.092 329 N HN 0.260 nan 8.380 nan 0.000 0.457 330 E N -0.167 120.031 120.200 -0.004 0.000 2.314 330 E HA 0.055 4.405 4.350 0.000 0.000 0.216 330 E C -0.264 176.327 176.600 -0.015 0.000 1.048 330 E CA 0.015 56.408 56.400 -0.012 0.000 1.575 330 E CB -0.159 29.529 29.700 -0.020 0.000 3.354 330 E HN 0.340 nan 8.360 nan 0.000 1.075 331 S N 0.303 115.994 115.700 -0.016 0.000 2.576 331 S HA 0.209 4.679 4.470 0.000 0.000 0.276 331 S C 0.651 175.246 174.600 -0.008 0.000 1.339 331 S CA -0.031 58.154 58.200 -0.024 0.000 1.039 331 S CB 1.019 64.194 63.200 -0.043 0.000 0.902 331 S HN 0.123 nan 8.310 nan 0.000 0.516 332 V N 4.344 124.253 119.914 -0.009 0.000 3.351 332 V HA 0.167 4.287 4.120 0.000 0.000 0.364 332 V C 0.764 176.871 176.094 0.021 0.000 1.219 332 V CA 0.508 62.813 62.300 0.007 0.000 1.382 332 V CB -1.171 30.657 31.823 0.008 0.000 1.203 332 V HN 0.856 nan 8.190 nan 0.000 0.448 333 S N -1.554 114.162 115.700 0.025 0.000 2.801 333 S HA 0.179 4.649 4.470 0.000 0.000 0.236 333 S C 0.169 174.812 174.600 0.072 0.000 0.852 333 S CA -0.172 58.063 58.200 0.059 0.000 1.089 333 S CB 0.036 63.277 63.200 0.069 0.000 1.376 333 S HN 0.500 nan 8.310 nan 0.000 0.470 334 S N 1.595 117.327 115.700 0.053 0.000 2.565 334 S HA 0.642 5.112 4.470 0.000 0.000 0.276 334 S C -1.798 172.836 174.600 0.058 0.000 1.326 334 S CA -0.668 57.565 58.200 0.054 0.000 1.045 334 S CB -0.274 62.952 63.200 0.044 0.000 0.918 334 S HN 0.312 nan 8.310 nan 0.000 0.505 335 P HA 0.201 nan 4.420 nan 0.000 0.293 335 P C -0.458 176.854 177.300 0.020 0.000 1.285 335 P CA -0.645 62.482 63.100 0.045 0.000 0.775 335 P CB 0.037 31.761 31.700 0.040 0.000 1.351 336 I N 0.452 121.018 120.570 -0.006 0.000 2.769 336 I HA -0.079 4.091 4.170 0.000 0.000 0.285 336 I C 1.669 177.730 176.117 -0.094 0.000 1.173 336 I CA 0.907 62.179 61.300 -0.047 0.000 1.389 336 I CB -0.776 37.182 38.000 -0.070 0.000 1.404 336 I HN 0.375 nan 8.210 nan 0.000 0.544 337 E N 5.932 126.100 120.200 -0.053 0.000 2.016 337 E HA -0.017 4.333 4.350 0.000 0.000 0.200 337 E C 0.638 177.181 176.600 -0.095 0.000 0.949 337 E CA -0.028 56.355 56.400 -0.027 0.000 0.879 337 E CB 0.136 29.852 29.700 0.026 0.000 0.846 337 E HN 0.381 nan 8.360 nan 0.000 0.507 338 L N 2.784 123.986 121.223 -0.035 0.000 2.678 338 L HA 0.008 4.348 4.340 0.000 0.000 0.276 338 L C 0.012 176.821 176.870 -0.101 0.000 1.142 338 L CA 0.985 55.810 54.840 -0.024 0.000 0.961 338 L CB -0.237 41.830 42.059 0.013 0.000 1.291 338 L HN 0.456 nan 8.230 nan 0.000 0.476 339 N N 2.958 121.535 118.700 -0.205 0.000 1.842 339 N HA -0.016 4.724 4.740 0.000 0.000 0.226 339 N C 1.162 176.553 175.510 -0.198 0.000 1.431 339 N CA -0.003 52.915 53.050 -0.220 0.000 0.722 339 N CB 0.177 38.485 38.487 -0.298 0.000 1.040 339 N HN 0.436 nan 8.380 nan 0.000 0.534 340 F N 1.889 121.853 119.950 0.023 0.000 2.146 340 F HA 0.019 4.546 4.527 0.000 0.000 0.298 340 F C 1.946 177.755 175.800 0.014 0.000 1.096 340 F CA 0.903 58.915 58.000 0.020 0.000 1.275 340 F CB 0.038 39.050 39.000 0.020 0.000 1.008 340 F HN -0.071 nan 8.300 nan 0.000 0.480 341 D N 0.581 121.095 120.400 0.191 0.000 2.239 341 D HA -0.225 4.415 4.640 0.000 0.000 0.202 341 D C 2.044 178.389 176.300 0.074 0.000 0.993 341 D CA 1.513 55.580 54.000 0.111 0.000 0.874 341 D CB -0.268 40.579 40.800 0.079 0.000 0.922 341 D HN 0.347 nan 8.370 nan 0.000 0.464 342 A N 0.895 123.752 122.820 0.062 0.000 2.251 342 A HA 0.140 4.460 4.320 0.000 0.000 0.209 342 A C 1.195 178.802 177.584 0.039 0.000 1.187 342 A CA -0.138 51.923 52.037 0.039 0.000 0.823 342 A CB -0.078 18.936 19.000 0.024 0.000 0.846 342 A HN 0.143 nan 8.150 nan 0.000 0.486 343 V N -2.105 117.845 119.914 0.060 0.000 2.715 343 V HA 0.623 4.743 4.120 0.000 0.000 0.299 343 V C 0.364 176.468 176.094 0.016 0.000 1.054 343 V CA 0.314 62.641 62.300 0.045 0.000 1.077 343 V CB 1.389 33.257 31.823 0.075 0.000 0.972 343 V HN 0.360 nan 8.190 nan 0.000 0.484 344 K N 2.865 123.262 120.400 -0.006 0.000 2.774 344 K HA 0.375 4.695 4.320 0.000 0.000 0.242 344 K C 0.021 176.593 176.600 -0.046 0.000 1.832 344 K CA 0.527 56.800 56.287 -0.024 0.000 1.017 344 K CB -0.254 32.237 32.500 -0.015 0.000 2.161 344 K HN 0.854 nan 8.250 nan 0.000 0.378 345 D N -1.066 119.314 120.400 -0.035 0.000 2.385 345 D HA 0.490 5.130 4.640 0.000 0.000 0.254 345 D C -1.496 174.811 176.300 0.011 0.000 1.053 345 D CA -0.360 53.617 54.000 -0.038 0.000 0.992 345 D CB 1.033 41.803 40.800 -0.048 0.000 1.145 345 D HN 0.105 nan 8.370 nan 0.000 0.523 346 F N 0.612 120.456 119.950 -0.177 0.000 2.622 346 F HA 0.361 4.888 4.527 0.000 0.000 0.318 346 F C -1.593 174.112 175.800 -0.157 0.000 1.135 346 F CA -0.817 57.057 58.000 -0.210 0.000 1.015 346 F CB 1.289 40.104 39.000 -0.308 0.000 1.275 346 F HN 0.115 nan 8.300 nan 0.000 0.457 347 K N 6.589 126.321 120.400 -1.113 0.000 2.578 347 K HA 0.388 4.708 4.320 0.000 0.000 0.250 347 K C -1.734 174.293 176.600 -0.955 0.000 0.955 347 K CA -0.894 54.947 56.287 -0.744 0.000 0.825 347 K CB 2.017 34.300 32.500 -0.361 0.000 1.151 347 K HN 0.717 nan 8.250 nan 0.000 0.432 348 L N 3.320 124.169 121.223 -0.623 0.000 2.562 348 L HA 0.229 4.569 4.340 0.000 0.000 0.271 348 L C 0.722 177.542 176.870 -0.084 0.000 1.167 348 L CA 0.956 55.631 54.840 -0.275 0.000 0.917 348 L CB 0.281 42.318 42.059 -0.037 0.000 1.187 348 L HN 0.923 nan 8.230 nan 0.000 0.482 349 G N 4.743 113.536 108.800 -0.011 0.000 3.380 349 G HA2 0.195 4.155 3.960 0.000 0.000 0.188 349 G HA3 0.195 4.155 3.960 0.000 0.000 0.188 349 G C -0.303 174.723 174.900 0.210 0.000 1.892 349 G CA -0.502 44.635 45.100 0.062 0.000 0.912 349 G HN 0.538 nan 8.290 nan 0.000 0.609 350 K N 0.063 120.556 120.400 0.155 0.000 2.118 350 K HA 0.541 4.861 4.320 0.000 0.000 0.264 350 K C -0.998 175.751 176.600 0.247 0.000 1.000 350 K CA -0.086 56.263 56.287 0.103 0.000 0.929 350 K CB 1.099 33.618 32.500 0.032 0.000 1.021 350 K HN 0.452 nan 8.250 nan 0.000 0.463 351 F N -1.753 118.231 119.950 0.057 0.000 2.817 351 F HA 0.428 4.955 4.527 0.000 0.000 0.317 351 F C -1.207 174.635 175.800 0.070 0.000 1.168 351 F CA -1.432 56.607 58.000 0.065 0.000 0.911 351 F CB 0.899 39.958 39.000 0.098 0.000 1.337 351 F HN 0.227 nan 8.300 nan 0.000 0.464 352 N N 0.378 119.230 118.700 0.253 0.000 2.417 352 N HA 0.384 5.124 4.740 0.000 0.000 0.300 352 N C -2.084 173.631 175.510 0.341 0.000 1.102 352 N CA -0.388 52.756 53.050 0.156 0.000 0.886 352 N CB 2.210 40.733 38.487 0.061 0.000 1.203 352 N HN 0.810 nan 8.380 nan 0.000 0.496 353 Y N 0.487 120.845 120.300 0.097 0.000 2.477 353 Y HA 0.519 5.070 4.550 0.000 0.000 0.347 353 Y C -1.081 174.847 175.900 0.048 0.000 0.981 353 Y CA -0.883 57.290 58.100 0.120 0.000 1.033 353 Y CB 1.174 39.735 38.460 0.169 0.000 1.245 353 Y HN 0.287 nan 8.280 nan 0.000 0.455 354 V N 2.068 121.615 119.914 -0.612 0.000 2.709 354 V HA 1.009 5.130 4.120 0.000 0.000 0.308 354 V C -0.975 174.672 176.094 -0.744 0.000 1.062 354 V CA -0.699 61.283 62.300 -0.530 0.000 0.901 354 V CB 1.160 32.855 31.823 -0.213 0.000 1.003 354 V HN 1.178 nan 8.190 nan 0.000 0.425 355 A N 3.848 126.355 122.820 -0.522 0.000 2.318 355 A HA 0.904 5.225 4.320 0.000 0.000 0.317 355 A C -0.782 176.703 177.584 -0.164 0.000 1.159 355 A CA -0.667 51.167 52.037 -0.340 0.000 0.799 355 A CB 1.616 20.453 19.000 -0.271 0.000 1.194 355 A HN 1.341 nan 8.150 nan 0.000 0.479 356 V N 2.437 122.291 119.914 -0.100 0.000 2.588 356 V HA 0.846 4.967 4.120 0.000 0.000 0.304 356 V C 0.782 176.897 176.094 0.036 0.000 1.042 356 V CA 0.710 62.978 62.300 -0.053 0.000 0.877 356 V CB 0.874 32.621 31.823 -0.126 0.000 0.996 356 V HN 2.071 nan 8.190 nan 0.000 0.425 357 G N 4.515 113.393 108.800 0.130 0.000 2.541 357 G HA2 -0.145 3.815 3.960 0.000 0.000 0.208 357 G HA3 -0.145 3.815 3.960 0.000 0.000 0.208 357 G C -0.278 174.685 174.900 0.104 0.000 1.191 357 G CA 0.055 45.276 45.100 0.202 0.000 1.217 357 G HN 0.697 nan 8.290 nan 0.000 0.566 358 D N 1.655 122.097 120.400 0.070 0.000 2.767 358 D HA 0.387 5.027 4.640 0.000 0.000 0.231 358 D C 2.011 178.329 176.300 0.029 0.000 1.105 358 D CA 0.549 54.575 54.000 0.043 0.000 1.024 358 D CB 0.091 40.913 40.800 0.038 0.000 1.123 358 D HN 0.305 nan 8.370 nan 0.000 0.470 359 V N 0.886 120.810 119.914 0.018 0.000 2.439 359 V HA -0.255 3.865 4.120 0.000 0.000 0.253 359 V C 2.433 178.517 176.094 -0.016 0.000 1.074 359 V CA 1.905 64.190 62.300 -0.024 0.000 1.076 359 V CB -0.500 31.307 31.823 -0.026 0.000 0.664 359 V HN 0.449 nan 8.190 nan 0.000 0.461 360 S N -0.211 115.512 115.700 0.038 0.000 2.474 360 S HA -0.060 4.410 4.470 0.000 0.000 0.235 360 S C 1.267 175.925 174.600 0.095 0.000 0.997 360 S CA 0.923 59.174 58.200 0.084 0.000 0.949 360 S CB -0.300 62.943 63.200 0.073 0.000 0.766 360 S HN 0.720 nan 8.310 nan 0.000 0.517 361 N N 0.859 119.596 118.700 0.062 0.000 2.433 361 N HA 0.256 4.996 4.740 0.000 0.000 0.270 361 N C -1.446 174.098 175.510 0.057 0.000 1.354 361 N CA -0.157 52.934 53.050 0.069 0.000 0.889 361 N CB 0.904 39.423 38.487 0.055 0.000 1.285 361 N HN 0.235 nan 8.380 nan 0.000 0.503 362 L N 1.097 122.336 121.223 0.027 0.000 2.333 362 L HA 0.613 4.953 4.340 0.000 0.000 0.269 362 L C -2.183 174.688 176.870 0.002 0.000 1.010 362 L CA -2.119 52.732 54.840 0.019 0.000 0.818 362 L CB 1.582 43.634 42.059 -0.012 0.000 1.306 362 L HN -0.117 nan 8.230 nan 0.000 0.430 363 P HA 0.167 nan 4.420 nan 0.000 0.272 363 P C -1.453 175.883 177.300 0.060 0.000 1.223 363 P CA 0.135 63.299 63.100 0.105 0.000 0.784 363 P CB 0.286 32.025 31.700 0.064 0.000 0.923 364 Y N 0.466 120.811 120.300 0.075 0.000 2.419 364 Y HA 0.190 4.740 4.550 0.000 0.000 0.328 364 Y C 1.475 177.330 175.900 -0.074 0.000 1.162 364 Y CA -0.702 57.456 58.100 0.096 0.000 1.174 364 Y CB 0.873 39.373 38.460 0.066 0.000 1.228 364 Y HN 0.195 nan 8.280 nan 0.000 0.473 365 L N 1.309 122.592 121.223 0.099 0.000 2.129 365 L HA -0.226 4.114 4.340 0.000 0.000 0.212 365 L C 1.334 178.177 176.870 -0.044 0.000 1.087 365 L CA 1.846 56.638 54.840 -0.080 0.000 0.757 365 L CB -0.691 41.378 42.059 0.017 0.000 0.896 365 L HN 0.712 nan 8.230 nan 0.000 0.434 366 D N 0.189 120.614 120.400 0.042 0.000 2.106 366 D HA -0.246 4.395 4.640 0.000 0.000 0.191 366 D C 1.853 178.157 176.300 0.007 0.000 0.997 366 D CA 1.880 55.890 54.000 0.017 0.000 0.834 366 D CB -0.206 40.606 40.800 0.020 0.000 0.956 366 D HN 0.729 nan 8.370 nan 0.000 0.448 367 E N 0.054 120.272 120.200 0.030 0.000 2.485 367 E HA 0.036 4.386 4.350 0.000 0.000 0.194 367 E C 0.580 177.183 176.600 0.006 0.000 1.098 367 E CA 0.035 56.449 56.400 0.023 0.000 0.878 367 E CB -0.011 29.720 29.700 0.051 0.000 0.939 367 E HN 0.262 nan 8.360 nan 0.000 0.503 368 L N 0.000 121.215 121.223 -0.013 0.000 2.949 368 L HA 0.000 4.340 4.340 0.000 0.000 0.249 368 L CA 0.000 54.850 54.840 0.017 0.000 0.813 368 L CB 0.000 42.054 42.059 -0.008 0.000 0.961 368 L HN 0.000 nan 8.230 nan 0.000 0.502