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 1mw0_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPNSQYLKTR ILDIYTPEQR AGIEKSEDWR QFSRRMDTHF PKLMNELDSV DATA SEQUENCE YGNNEALLPM LEMLLAQAWQ SYSQRNSSLK DIDIARENNP DWILSNKQVG DATA SEQUENCE GVCYVDLFAG DLKGLKDKIP YFQELGLTYL YLMPLFKCPE GKSDGGYAVS DATA SEQUENCE SYRDVNPALG TIGDLREVIA ALHEAGISAV VDFIFNHTSN EHEWAQRCAA DATA SEQUENCE GDPLFDNFYY IFPDRRMPDQ YDRTLREIFP DQHPGGFSQL EDGRWVWTTF DATA SEQUENCE NSFQWDLNYS NPWVFRAMAG EMLFLANLGV DILRMDAVAF IWKQMGTSCE DATA SEQUENCE NLPQAHALIR AFNAVMRIAA PAVFFKSQAI VHPDQVVQYI GQDECQIGYN DATA SEQUENCE PLQMALLWNT LATREVNLLH QALTYRHNLP EHTAWVNYVR SHDDIGWTFA DATA SEQUENCE DEDAAYLGIS GYDHRQFLNR FFVNRFDGSF ARGVPFQYNP STGDCRVSGT DATA SEQUENCE AAALVGLAQD DPHAVDRIKL LYSIALSTGG LPLIYLGDEV GTLNDDDWSQ DATA SEQUENCE DSNKSDDSRW AHRPRYNEAL YAQRNDPSTA AGQIYQGLRH MIAVRQSNPR DATA SEQUENCE FDGGRLVTFN TNNKHIIGYI RNNALLAFGN FSEYPQTVTA HTLQAMPFKA DATA SEQUENCE HDLIGGKTVS LNQDLTLQPY QVMWLEIA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.631 174.600 0.052 0.000 1.055 1 S CA 0.000 58.220 58.200 0.034 0.000 1.107 1 S CB 0.000 63.221 63.200 0.035 0.000 0.593 2 P HA 0.446 nan 4.420 nan 0.000 0.274 2 P C -0.926 176.497 177.300 0.205 0.000 1.237 2 P CA -0.487 62.678 63.100 0.109 0.000 0.793 2 P CB 0.292 32.127 31.700 0.225 0.000 0.977 3 N N -1.673 117.109 118.700 0.136 0.000 2.483 3 N HA 0.169 4.909 4.740 0.001 0.000 0.285 3 N C 0.945 176.397 175.510 -0.096 0.000 1.210 3 N CA -0.737 52.386 53.050 0.121 0.000 0.931 3 N CB 0.644 39.181 38.487 0.083 0.000 1.220 3 N HN 0.264 nan 8.380 nan 0.000 0.542 4 S N -0.792 114.812 115.700 -0.161 0.000 2.365 4 S HA -0.222 4.249 4.470 0.001 0.000 0.225 4 S C 1.536 176.031 174.600 -0.174 0.000 1.039 4 S CA 1.339 59.335 58.200 -0.340 0.000 1.033 4 S CB -0.432 62.687 63.200 -0.135 0.000 0.887 4 S HN 0.580 nan 8.310 nan 0.000 0.447 5 Q N -0.063 119.708 119.800 -0.049 0.000 2.030 5 Q HA -0.135 4.206 4.340 0.001 0.000 0.204 5 Q C 1.907 177.927 176.000 0.033 0.000 0.986 5 Q CA 1.926 57.731 55.803 0.004 0.000 0.843 5 Q CB -1.168 27.590 28.738 0.033 0.000 0.904 5 Q HN 0.818 nan 8.270 nan 0.000 0.420 6 Y N 1.320 121.584 120.300 -0.061 0.000 2.097 6 Y HA -0.221 4.330 4.550 0.001 0.000 0.282 6 Y C 2.142 178.010 175.900 -0.053 0.000 1.152 6 Y CA 1.532 59.605 58.100 -0.045 0.000 1.136 6 Y CB -0.507 37.930 38.460 -0.040 0.000 0.975 6 Y HN 0.025 nan 8.280 nan 0.000 0.498 7 L N 0.103 121.211 121.223 -0.192 0.000 2.083 7 L HA -0.245 4.096 4.340 0.001 0.000 0.209 7 L C 2.466 179.238 176.870 -0.163 0.000 1.083 7 L CA 1.716 56.391 54.840 -0.276 0.000 0.752 7 L CB -0.548 41.332 42.059 -0.299 0.000 0.899 7 L HN 0.196 nan 8.230 nan 0.000 0.433 8 K N -0.391 119.965 120.400 -0.074 0.000 2.147 8 K HA -0.149 4.172 4.320 0.001 0.000 0.205 8 K C 2.149 178.806 176.600 0.096 0.000 1.049 8 K CA 1.862 58.226 56.287 0.127 0.000 0.936 8 K CB -0.272 32.337 32.500 0.182 0.000 0.722 8 K HN 0.494 nan 8.250 nan 0.000 0.446 9 T N -0.925 113.609 114.554 -0.033 0.000 2.867 9 T HA -0.100 4.251 4.350 0.001 0.000 0.268 9 T C 1.897 176.522 174.700 -0.125 0.000 1.057 9 T CA 0.751 62.806 62.100 -0.075 0.000 1.136 9 T CB -0.106 68.713 68.868 -0.081 0.000 0.874 9 T HN 0.160 nan 8.240 nan 0.000 0.466 10 R N 0.300 120.682 120.500 -0.196 0.000 2.193 10 R HA 0.316 4.657 4.340 0.001 0.000 0.213 10 R C 2.399 178.648 176.300 -0.084 0.000 1.055 10 R CA 0.795 56.788 56.100 -0.178 0.000 0.995 10 R CB -0.401 29.726 30.300 -0.288 0.000 0.893 10 R HN 0.431 nan 8.270 nan 0.000 0.459 11 I N 0.696 121.247 120.570 -0.031 0.000 2.315 11 I HA -0.241 3.930 4.170 0.001 0.000 0.248 11 I C 1.711 177.808 176.117 -0.032 0.000 1.117 11 I CA 1.227 62.548 61.300 0.035 0.000 1.404 11 I CB -0.032 38.070 38.000 0.170 0.000 1.071 11 I HN 0.156 nan 8.210 nan 0.000 0.419 12 L N 0.038 121.196 121.223 -0.109 0.000 2.478 12 L HA -0.092 4.249 4.340 0.001 0.000 0.223 12 L C 1.426 178.296 176.870 -0.000 0.000 1.140 12 L CA 0.382 55.167 54.840 -0.092 0.000 0.842 12 L CB -0.506 41.367 42.059 -0.310 0.000 0.953 12 L HN 0.185 nan 8.230 nan 0.000 0.452 13 D N 0.778 121.146 120.400 -0.054 0.000 2.350 13 D HA -0.123 4.517 4.640 0.001 0.000 0.216 13 D C 2.114 178.370 176.300 -0.073 0.000 0.968 13 D CA 0.971 54.941 54.000 -0.051 0.000 0.894 13 D CB 0.081 40.847 40.800 -0.057 0.000 0.909 13 D HN 0.542 nan 8.370 nan 0.000 0.520 14 I N -2.870 117.606 120.570 -0.156 0.000 2.761 14 I HA -0.066 4.105 4.170 0.001 0.000 0.261 14 I C 0.191 176.118 176.117 -0.315 0.000 1.198 14 I CA 0.350 61.488 61.300 -0.269 0.000 1.482 14 I CB -0.356 37.401 38.000 -0.405 0.000 1.100 14 I HN -0.250 nan 8.210 nan 0.000 0.445 15 Y N 2.581 122.855 120.300 -0.044 0.000 2.320 15 Y HA 0.372 4.922 4.550 0.001 0.000 0.324 15 Y C 1.404 177.275 175.900 -0.049 0.000 1.190 15 Y CA -0.876 57.197 58.100 -0.045 0.000 1.215 15 Y CB 0.868 39.285 38.460 -0.072 0.000 1.221 15 Y HN 0.018 nan 8.280 nan 0.000 0.486 16 T N -0.831 113.801 114.554 0.130 0.000 2.813 16 T HA 0.100 4.451 4.350 0.001 0.000 0.297 16 T C -1.970 172.755 174.700 0.041 0.000 1.036 16 T CA -1.528 60.606 62.100 0.057 0.000 1.044 16 T CB 0.903 69.797 68.868 0.042 0.000 0.993 16 T HN 0.369 nan 8.240 nan 0.000 0.535 17 P HA -0.160 nan 4.420 nan 0.000 0.216 17 P C 1.590 178.879 177.300 -0.019 0.000 1.154 17 P CA 1.028 64.123 63.100 -0.008 0.000 0.865 17 P CB 0.071 31.766 31.700 -0.008 0.000 0.789 18 E N -0.087 120.108 120.200 -0.009 0.000 2.046 18 E HA -0.210 4.141 4.350 0.001 0.000 0.190 18 E C 1.918 178.499 176.600 -0.033 0.000 0.982 18 E CA 1.291 57.680 56.400 -0.018 0.000 0.800 18 E CB -0.254 29.443 29.700 -0.006 0.000 0.756 18 E HN 0.320 nan 8.360 nan 0.000 0.449 19 Q N 0.279 120.073 119.800 -0.011 0.000 2.050 19 Q HA -0.142 4.198 4.340 0.001 0.000 0.202 19 Q C 2.453 178.350 176.000 -0.172 0.000 0.980 19 Q CA 1.313 57.093 55.803 -0.038 0.000 0.840 19 Q CB -0.293 28.504 28.738 0.098 0.000 0.898 19 Q HN 0.156 nan 8.270 nan 0.000 0.424 20 R N 0.712 121.140 120.500 -0.120 0.000 2.096 20 R HA -0.219 4.122 4.340 0.001 0.000 0.240 20 R C 2.188 178.333 176.300 -0.259 0.000 1.139 20 R CA 1.518 57.483 56.100 -0.224 0.000 0.952 20 R CB -0.358 29.881 30.300 -0.102 0.000 0.854 20 R HN 0.280 nan 8.270 nan 0.000 0.436 21 A N -0.064 122.662 122.820 -0.158 0.000 1.978 21 A HA -0.098 4.222 4.320 0.001 0.000 0.220 21 A C 2.293 179.793 177.584 -0.139 0.000 1.170 21 A CA 1.794 53.754 52.037 -0.130 0.000 0.636 21 A CB -1.003 17.950 19.000 -0.078 0.000 0.810 21 A HN 0.617 nan 8.150 nan 0.000 0.448 22 G N -0.191 108.519 108.800 -0.150 0.000 2.394 22 G HA2 -0.060 3.901 3.960 0.001 0.000 0.215 22 G HA3 -0.060 3.901 3.960 0.001 0.000 0.215 22 G C 1.392 176.196 174.900 -0.161 0.000 1.165 22 G CA 0.950 45.975 45.100 -0.125 0.000 0.784 22 G HN 0.353 nan 8.290 nan 0.000 0.535 23 I N 1.393 121.779 120.570 -0.306 0.000 2.142 23 I HA -0.111 4.060 4.170 0.001 0.000 0.240 23 I C 2.495 178.409 176.117 -0.338 0.000 1.078 23 I CA 1.064 62.144 61.300 -0.367 0.000 1.343 23 I CB -1.309 36.227 38.000 -0.772 0.000 1.046 23 I HN 0.319 nan 8.210 nan 0.000 0.405 24 E N 0.655 120.584 120.200 -0.451 0.000 2.331 24 E HA -0.228 4.123 4.350 0.001 0.000 0.199 24 E C 1.275 177.868 176.600 -0.012 0.000 1.008 24 E CA 0.930 57.129 56.400 -0.335 0.000 0.843 24 E CB -0.016 29.521 29.700 -0.272 0.000 0.761 24 E HN 0.341 nan 8.360 nan 0.000 0.507 25 K N 0.118 120.508 120.400 -0.017 0.000 2.358 25 K HA 0.056 4.376 4.320 0.001 0.000 0.200 25 K C 0.174 176.822 176.600 0.080 0.000 1.030 25 K CA -0.077 56.234 56.287 0.041 0.000 1.097 25 K CB 1.000 33.504 32.500 0.006 0.000 0.862 25 K HN -0.001 nan 8.250 nan 0.000 0.534 26 S N -0.034 115.734 115.700 0.114 0.000 2.601 26 S HA 0.139 4.609 4.470 0.001 0.000 0.271 26 S C 1.183 175.913 174.600 0.215 0.000 1.305 26 S CA -0.581 57.713 58.200 0.156 0.000 1.022 26 S CB 1.711 65.024 63.200 0.188 0.000 0.940 26 S HN 0.122 nan 8.310 nan 0.000 0.525 27 E N 1.177 121.484 120.200 0.178 0.000 2.106 27 E HA -0.135 4.216 4.350 0.001 0.000 0.192 27 E C 1.048 177.806 176.600 0.265 0.000 0.984 27 E CA 1.622 58.128 56.400 0.177 0.000 0.806 27 E CB -0.394 29.381 29.700 0.126 0.000 0.750 27 E HN 0.745 nan 8.360 nan 0.000 0.458 28 D N -0.364 120.240 120.400 0.340 0.000 2.117 28 D HA -0.170 4.471 4.640 0.001 0.000 0.197 28 D C 1.512 178.239 176.300 0.711 0.000 0.987 28 D CA 0.941 55.262 54.000 0.535 0.000 0.829 28 D CB -0.576 40.492 40.800 0.445 0.000 0.961 28 D HN 0.399 nan 8.370 nan 0.000 0.460 29 W N 2.013 123.545 121.300 0.387 0.000 2.402 29 W HA -0.122 4.538 4.660 0.001 0.000 0.286 29 W C 2.207 178.796 176.519 0.117 0.000 1.221 29 W CA 0.768 58.161 57.345 0.081 0.000 1.257 29 W CB -0.080 29.281 29.460 -0.165 0.000 1.120 29 W HN -0.047 nan 8.180 nan 0.000 0.551 30 R N 0.432 121.012 120.500 0.132 0.000 2.091 30 R HA -0.214 4.127 4.340 0.001 0.000 0.238 30 R C 2.396 178.663 176.300 -0.056 0.000 1.136 30 R CA 1.908 58.016 56.100 0.014 0.000 0.959 30 R CB -0.432 29.924 30.300 0.093 0.000 0.856 30 R HN 0.121 nan 8.270 nan 0.000 0.437 31 Q N -0.270 119.563 119.800 0.055 0.000 2.016 31 Q HA -0.183 4.158 4.340 0.001 0.000 0.200 31 Q C 1.976 177.895 176.000 -0.136 0.000 0.978 31 Q CA 1.483 57.293 55.803 0.013 0.000 0.833 31 Q CB -0.497 28.339 28.738 0.163 0.000 0.895 31 Q HN 0.340 nan 8.270 nan 0.000 0.427 32 F N 1.498 121.276 119.950 -0.286 0.000 2.095 32 F HA -0.248 4.279 4.527 0.001 0.000 0.298 32 F C 2.697 178.171 175.800 -0.543 0.000 1.104 32 F CA 1.760 59.508 58.000 -0.420 0.000 1.232 32 F CB -0.327 38.539 39.000 -0.224 0.000 0.987 32 F HN 0.021 nan 8.300 nan 0.000 0.475 33 S N -0.074 115.227 115.700 -0.664 0.000 2.368 33 S HA -0.185 4.286 4.470 0.001 0.000 0.225 33 S C 2.226 176.581 174.600 -0.408 0.000 1.030 33 S CA 1.366 59.148 58.200 -0.697 0.000 0.999 33 S CB -0.287 62.446 63.200 -0.778 0.000 0.844 33 S HN 0.448 nan 8.310 nan 0.000 0.459 34 R N 0.214 120.533 120.500 -0.302 0.000 2.066 34 R HA 0.064 4.404 4.340 0.001 0.000 0.232 34 R C 2.700 178.870 176.300 -0.216 0.000 1.131 34 R CA 1.475 57.452 56.100 -0.205 0.000 0.955 34 R CB -0.264 29.954 30.300 -0.136 0.000 0.851 34 R HN 0.360 nan 8.270 nan 0.000 0.432 35 R N -0.190 120.162 120.500 -0.246 0.000 2.120 35 R HA -0.028 4.312 4.340 0.001 0.000 0.234 35 R C 2.304 178.490 176.300 -0.190 0.000 1.123 35 R CA 1.056 57.062 56.100 -0.157 0.000 0.975 35 R CB -0.099 30.085 30.300 -0.195 0.000 0.866 35 R HN 0.145 nan 8.270 nan 0.000 0.446 36 M N 0.821 120.191 119.600 -0.383 0.000 2.067 36 M HA -0.170 4.311 4.480 0.001 0.000 0.260 36 M C 1.362 177.586 176.300 -0.127 0.000 1.069 36 M CA 1.729 56.844 55.300 -0.309 0.000 1.117 36 M CB -0.722 31.604 32.600 -0.457 0.000 1.334 36 M HN 0.048 nan 8.290 nan 0.000 0.407 37 D N -0.407 119.893 120.400 -0.166 0.000 2.123 37 D HA -0.124 4.517 4.640 0.001 0.000 0.196 37 D C 1.925 178.148 176.300 -0.129 0.000 0.992 37 D CA 1.654 55.587 54.000 -0.111 0.000 0.833 37 D CB -0.426 40.302 40.800 -0.120 0.000 0.954 37 D HN 0.342 nan 8.370 nan 0.000 0.455 38 T N -0.091 114.325 114.554 -0.229 0.000 2.812 38 T HA -0.073 4.277 4.350 0.001 0.000 0.264 38 T C 1.475 175.872 174.700 -0.505 0.000 1.042 38 T CA 0.897 62.750 62.100 -0.412 0.000 1.140 38 T CB -0.029 68.466 68.868 -0.622 0.000 0.870 38 T HN 0.336 nan 8.240 nan 0.000 0.445 39 H N -1.049 117.975 119.070 -0.077 0.000 2.750 39 H HA 0.274 4.831 4.556 0.001 0.000 0.263 39 H C 1.799 177.096 175.328 -0.053 0.000 0.964 39 H CA -0.153 55.850 56.048 -0.076 0.000 1.205 39 H CB -0.155 29.547 29.762 -0.099 0.000 1.454 39 H HN 0.286 nan 8.280 nan 0.000 0.503 40 F N 3.374 123.301 119.950 -0.038 0.000 2.126 40 F HA -0.060 4.467 4.527 0.001 0.000 0.299 40 F C -0.916 174.866 175.800 -0.031 0.000 1.096 40 F CA 0.551 58.529 58.000 -0.038 0.000 1.255 40 F CB -0.958 38.007 39.000 -0.059 0.000 0.997 40 F HN 0.043 nan 8.300 nan 0.000 0.479 41 P HA -0.233 nan 4.420 nan 0.000 0.216 41 P C 1.297 178.436 177.300 -0.268 0.000 1.154 41 P CA 2.429 65.413 63.100 -0.194 0.000 0.865 41 P CB -0.099 31.562 31.700 -0.066 0.000 0.789 42 K N -1.087 119.199 120.400 -0.191 0.000 2.026 42 K HA -0.139 4.182 4.320 0.001 0.000 0.208 42 K C 2.019 178.484 176.600 -0.225 0.000 1.048 42 K CA 1.089 57.280 56.287 -0.160 0.000 0.929 42 K CB -0.994 31.460 32.500 -0.077 0.000 0.713 42 K HN 0.043 nan 8.250 nan 0.000 0.439 43 L N 1.167 122.223 121.223 -0.278 0.000 2.012 43 L HA -0.197 4.144 4.340 0.001 0.000 0.210 43 L C 2.364 178.984 176.870 -0.417 0.000 1.073 43 L CA 1.692 56.355 54.840 -0.295 0.000 0.748 43 L CB -0.438 41.474 42.059 -0.246 0.000 0.891 43 L HN 0.159 nan 8.230 nan 0.000 0.431 44 M N -0.118 119.062 119.600 -0.701 0.000 2.086 44 M HA -0.217 4.264 4.480 0.001 0.000 0.261 44 M C 2.084 178.203 176.300 -0.303 0.000 1.067 44 M CA 2.132 57.098 55.300 -0.556 0.000 1.116 44 M CB -0.799 31.389 32.600 -0.687 0.000 1.348 44 M HN 0.474 nan 8.290 nan 0.000 0.407 45 N N -0.174 118.363 118.700 -0.272 0.000 2.120 45 N HA -0.178 4.562 4.740 0.001 0.000 0.188 45 N C 1.509 176.906 175.510 -0.189 0.000 1.024 45 N CA 1.721 54.658 53.050 -0.189 0.000 0.852 45 N CB -0.104 38.288 38.487 -0.159 0.000 1.003 45 N HN 0.388 nan 8.380 nan 0.000 0.424 46 E N 0.431 120.508 120.200 -0.206 0.000 2.051 46 E HA -0.119 4.232 4.350 0.001 0.000 0.192 46 E C 2.175 178.616 176.600 -0.266 0.000 0.991 46 E CA 0.730 57.002 56.400 -0.213 0.000 0.799 46 E CB -0.508 29.079 29.700 -0.187 0.000 0.748 46 E HN 0.467 nan 8.360 nan 0.000 0.449 47 L N 0.848 121.906 121.223 -0.275 0.000 2.083 47 L HA -0.210 4.130 4.340 0.001 0.000 0.209 47 L C 2.345 179.126 176.870 -0.147 0.000 1.083 47 L CA 1.519 56.214 54.840 -0.242 0.000 0.752 47 L CB -0.408 41.519 42.059 -0.221 0.000 0.899 47 L HN 0.119 nan 8.230 nan 0.000 0.433 48 D N -0.285 120.028 120.400 -0.144 0.000 2.144 48 D HA -0.187 4.454 4.640 0.001 0.000 0.200 48 D C 2.243 178.459 176.300 -0.139 0.000 0.978 48 D CA 1.285 55.223 54.000 -0.103 0.000 0.833 48 D CB 0.159 40.902 40.800 -0.095 0.000 0.961 48 D HN 0.288 nan 8.370 nan 0.000 0.470 49 S N -0.919 114.667 115.700 -0.190 0.000 2.423 49 S HA -0.095 4.376 4.470 0.001 0.000 0.231 49 S C 1.969 176.386 174.600 -0.305 0.000 1.014 49 S CA 0.991 59.064 58.200 -0.213 0.000 0.965 49 S CB -0.230 62.842 63.200 -0.214 0.000 0.785 49 S HN 0.176 nan 8.310 nan 0.000 0.495 50 V N -0.258 119.400 119.914 -0.426 0.000 2.492 50 V HA 0.109 4.229 4.120 0.001 0.000 0.241 50 V C 1.852 177.595 176.094 -0.584 0.000 1.041 50 V CA 1.019 62.906 62.300 -0.689 0.000 1.057 50 V CB -0.743 30.460 31.823 -1.034 0.000 0.711 50 V HN 0.485 nan 8.190 nan 0.000 0.468 51 Y N 0.671 120.880 120.300 -0.152 0.000 2.497 51 Y HA 0.487 5.038 4.550 0.001 0.000 0.265 51 Y C 1.851 177.715 175.900 -0.060 0.000 1.111 51 Y CA 0.177 58.229 58.100 -0.081 0.000 1.288 51 Y CB -0.533 37.853 38.460 -0.123 0.000 1.082 51 Y HN 0.310 nan 8.280 nan 0.000 0.536 52 G N 1.250 110.067 108.800 0.029 0.000 2.611 52 G HA2 -0.390 3.571 3.960 0.001 0.000 0.301 52 G HA3 -0.390 3.571 3.960 0.001 0.000 0.301 52 G C 0.708 175.625 174.900 0.027 0.000 1.233 52 G CA 0.557 45.664 45.100 0.013 0.000 0.993 52 G HN 0.359 nan 8.290 nan 0.000 0.553 53 N N 2.345 121.061 118.700 0.027 0.000 2.362 53 N HA 0.028 4.769 4.740 0.001 0.000 0.211 53 N C 0.708 176.233 175.510 0.025 0.000 1.170 53 N CA -0.015 53.047 53.050 0.021 0.000 0.828 53 N CB -0.376 38.121 38.487 0.017 0.000 1.034 53 N HN 0.511 nan 8.380 nan 0.000 0.475 54 N N 2.081 120.803 118.700 0.036 0.000 2.357 54 N HA -0.117 4.623 4.740 0.001 0.000 0.257 54 N C 1.211 176.713 175.510 -0.013 0.000 1.250 54 N CA 0.270 53.332 53.050 0.020 0.000 0.862 54 N CB 0.981 39.476 38.487 0.013 0.000 1.066 54 N HN 0.275 nan 8.380 nan 0.000 0.468 55 E N 3.709 123.911 120.200 0.004 0.000 2.204 55 E HA -0.119 4.232 4.350 0.001 0.000 0.195 55 E C 1.261 177.857 176.600 -0.006 0.000 0.990 55 E CA 1.659 58.066 56.400 0.011 0.000 0.821 55 E CB -0.256 29.466 29.700 0.037 0.000 0.750 55 E HN 0.529 nan 8.360 nan 0.000 0.477 56 A N 0.390 123.177 122.820 -0.055 0.000 2.169 56 A HA 0.161 4.481 4.320 0.001 0.000 0.212 56 A C 1.957 179.330 177.584 -0.351 0.000 1.153 56 A CA 0.607 52.561 52.037 -0.138 0.000 0.756 56 A CB -0.487 18.410 19.000 -0.171 0.000 0.813 56 A HN 0.308 nan 8.150 nan 0.000 0.471 57 L N -0.383 120.670 121.223 -0.284 0.000 1.971 57 L HA -0.176 4.165 4.340 0.001 0.000 0.215 57 L C 2.218 178.976 176.870 -0.186 0.000 1.072 57 L CA 2.311 56.974 54.840 -0.295 0.000 0.758 57 L CB -0.739 41.226 42.059 -0.156 0.000 0.889 57 L HN 0.352 nan 8.230 nan 0.000 0.433 58 L N -0.041 121.138 121.223 -0.073 0.000 2.012 58 L HA -0.100 4.241 4.340 0.001 0.000 0.210 58 L C -0.463 176.415 176.870 0.014 0.000 1.073 58 L CA 2.112 56.956 54.840 0.007 0.000 0.748 58 L CB -1.882 40.206 42.059 0.049 0.000 0.891 58 L HN 0.191 nan 8.230 nan 0.000 0.431 59 P HA -0.191 nan 4.420 nan 0.000 0.215 59 P C 2.016 179.354 177.300 0.064 0.000 1.153 59 P CA 1.449 64.608 63.100 0.099 0.000 0.853 59 P CB -0.279 31.540 31.700 0.199 0.000 0.788 60 M N -0.822 118.618 119.600 -0.267 0.000 2.117 60 M HA -0.120 4.361 4.480 0.001 0.000 0.262 60 M C 1.852 178.094 176.300 -0.096 0.000 1.065 60 M CA 1.816 56.832 55.300 -0.474 0.000 1.114 60 M CB -1.350 30.637 32.600 -1.021 0.000 1.361 60 M HN -0.089 nan 8.290 nan 0.000 0.408 61 L N 1.298 122.484 121.223 -0.062 0.000 2.046 61 L HA -0.156 4.185 4.340 0.001 0.000 0.208 61 L C 2.098 179.050 176.870 0.137 0.000 1.077 61 L CA 1.969 56.852 54.840 0.071 0.000 0.747 61 L CB -0.796 41.322 42.059 0.098 0.000 0.896 61 L HN 0.378 nan 8.230 nan 0.000 0.432 62 E N -1.069 119.200 120.200 0.116 0.000 2.150 62 E HA -0.258 4.093 4.350 0.001 0.000 0.193 62 E C 2.148 178.836 176.600 0.147 0.000 0.985 62 E CA 1.400 57.873 56.400 0.121 0.000 0.814 62 E CB -0.222 29.533 29.700 0.092 0.000 0.752 62 E HN 0.573 nan 8.360 nan 0.000 0.466 63 M N 0.854 120.553 119.600 0.166 0.000 2.132 63 M HA -0.153 4.327 4.480 0.001 0.000 0.263 63 M C 2.297 178.717 176.300 0.201 0.000 1.065 63 M CA 1.041 56.456 55.300 0.193 0.000 1.122 63 M CB 0.027 32.789 32.600 0.270 0.000 1.365 63 M HN 0.142 nan 8.290 nan 0.000 0.411 64 L N 0.901 122.248 121.223 0.206 0.000 2.017 64 L HA -0.166 4.174 4.340 0.001 0.000 0.208 64 L C 1.972 178.998 176.870 0.260 0.000 1.073 64 L CA 1.914 56.891 54.840 0.228 0.000 0.745 64 L CB -0.792 41.412 42.059 0.242 0.000 0.894 64 L HN 0.376 nan 8.230 nan 0.000 0.432 65 L N -0.696 120.689 121.223 0.270 0.000 2.093 65 L HA -0.146 4.194 4.340 0.001 0.000 0.208 65 L C 2.665 179.753 176.870 0.362 0.000 1.085 65 L CA 1.031 56.076 54.840 0.342 0.000 0.755 65 L CB -0.921 41.312 42.059 0.291 0.000 0.904 65 L HN 0.392 nan 8.230 nan 0.000 0.435 66 A N -0.452 122.530 122.820 0.269 0.000 1.902 66 A HA -0.255 4.066 4.320 0.001 0.000 0.217 66 A C 2.236 179.968 177.584 0.247 0.000 1.181 66 A CA 1.562 53.751 52.037 0.254 0.000 0.623 66 A CB -0.448 18.654 19.000 0.170 0.000 0.818 66 A HN 0.442 nan 8.150 nan 0.000 0.443 67 Q N -0.816 119.113 119.800 0.215 0.000 2.084 67 Q HA -0.102 4.239 4.340 0.001 0.000 0.202 67 Q C 2.447 178.567 176.000 0.201 0.000 0.978 67 Q CA 1.337 57.249 55.803 0.181 0.000 0.844 67 Q CB -0.373 28.475 28.738 0.183 0.000 0.898 67 Q HN 0.692 nan 8.270 nan 0.000 0.426 68 A N 0.978 123.970 122.820 0.288 0.000 1.908 68 A HA -0.217 4.103 4.320 0.001 0.000 0.218 68 A C 1.759 179.547 177.584 0.339 0.000 1.181 68 A CA 1.264 53.522 52.037 0.369 0.000 0.627 68 A CB -1.230 18.072 19.000 0.503 0.000 0.818 68 A HN 0.764 nan 8.150 nan 0.000 0.445 69 W N 0.437 121.713 121.300 -0.041 0.000 2.354 69 W HA -0.212 4.449 4.660 0.001 0.000 0.315 69 W C 1.938 178.396 176.519 -0.100 0.000 1.206 69 W CA 1.667 58.710 57.345 -0.503 0.000 1.290 69 W CB -0.218 28.981 29.460 -0.436 0.000 1.152 69 W HN 0.361 nan 8.180 nan 0.000 0.489 70 Q N 0.431 120.037 119.800 -0.323 0.000 2.084 70 Q HA -0.201 4.140 4.340 0.001 0.000 0.202 70 Q C 2.331 178.165 176.000 -0.277 0.000 0.978 70 Q CA 1.923 57.476 55.803 -0.416 0.000 0.844 70 Q CB -1.140 27.515 28.738 -0.138 0.000 0.898 70 Q HN 0.300 nan 8.270 nan 0.000 0.426 71 S N -0.163 115.490 115.700 -0.078 0.000 2.356 71 S HA -0.184 4.287 4.470 0.001 0.000 0.223 71 S C 1.877 176.465 174.600 -0.020 0.000 1.032 71 S CA 0.991 59.192 58.200 0.002 0.000 1.005 71 S CB -0.300 62.967 63.200 0.113 0.000 0.867 71 S HN 0.464 nan 8.310 nan 0.000 0.449 72 Y N 1.603 121.846 120.300 -0.096 0.000 2.293 72 Y HA 0.049 4.600 4.550 0.001 0.000 0.291 72 Y C 2.755 178.529 175.900 -0.210 0.000 1.137 72 Y CA 1.464 59.535 58.100 -0.050 0.000 1.202 72 Y CB -0.808 37.751 38.460 0.166 0.000 0.990 72 Y HN 0.362 nan 8.280 nan 0.000 0.537 73 S N -0.314 115.032 115.700 -0.589 0.000 2.383 73 S HA -0.213 4.258 4.470 0.001 0.000 0.227 73 S C 1.775 176.123 174.600 -0.421 0.000 1.026 73 S CA 1.685 59.462 58.200 -0.704 0.000 0.981 73 S CB -0.199 62.374 63.200 -1.045 0.000 0.818 73 S HN 0.712 nan 8.310 nan 0.000 0.472 74 Q N 0.299 119.907 119.800 -0.320 0.000 2.378 74 Q HA 0.109 4.450 4.340 0.001 0.000 0.205 74 Q C 0.909 176.801 176.000 -0.181 0.000 0.954 74 Q CA 0.088 55.772 55.803 -0.198 0.000 0.901 74 Q CB -0.045 28.616 28.738 -0.128 0.000 0.981 74 Q HN 0.393 nan 8.270 nan 0.000 0.483 75 R N 2.810 123.173 120.500 -0.228 0.000 2.504 75 R HA -0.065 4.275 4.340 0.001 0.000 0.291 75 R C 0.013 176.204 176.300 -0.183 0.000 0.974 75 R CA -0.039 55.947 56.100 -0.190 0.000 1.077 75 R CB 0.258 30.424 30.300 -0.224 0.000 0.926 75 R HN 0.109 nan 8.270 nan 0.000 0.407 76 N N 2.165 120.797 118.700 -0.112 0.000 2.407 76 N HA -0.123 4.618 4.740 0.001 0.000 0.250 76 N C 0.720 176.178 175.510 -0.087 0.000 1.236 76 N CA 0.603 53.601 53.050 -0.086 0.000 0.879 76 N CB 1.388 39.843 38.487 -0.053 0.000 1.088 76 N HN 0.661 nan 8.380 nan 0.000 0.450 77 S N 2.318 117.974 115.700 -0.074 0.000 2.370 77 S HA -0.143 4.328 4.470 0.001 0.000 0.226 77 S C 1.812 176.386 174.600 -0.043 0.000 1.033 77 S CA 1.783 59.947 58.200 -0.059 0.000 1.011 77 S CB -0.121 63.053 63.200 -0.042 0.000 0.852 77 S HN 0.674 nan 8.310 nan 0.000 0.457 78 S N 1.382 117.060 115.700 -0.036 0.000 2.383 78 S HA 0.009 4.480 4.470 0.001 0.000 0.229 78 S C 1.743 176.315 174.600 -0.047 0.000 1.030 78 S CA 1.415 59.594 58.200 -0.035 0.000 1.002 78 S CB -0.455 62.734 63.200 -0.017 0.000 0.829 78 S HN 0.503 nan 8.310 nan 0.000 0.467 79 L N 0.853 122.054 121.223 -0.037 0.000 2.141 79 L HA -0.057 4.284 4.340 0.001 0.000 0.209 79 L C 2.284 179.138 176.870 -0.027 0.000 1.094 79 L CA 1.083 55.901 54.840 -0.037 0.000 0.763 79 L CB -0.469 41.580 42.059 -0.017 0.000 0.908 79 L HN 0.249 nan 8.230 nan 0.000 0.437 80 K N -0.092 120.297 120.400 -0.018 0.000 2.211 80 K HA -0.131 4.189 4.320 0.001 0.000 0.203 80 K C 1.522 178.133 176.600 0.018 0.000 1.050 80 K CA 1.018 57.324 56.287 0.032 0.000 0.945 80 K CB -0.054 32.448 32.500 0.004 0.000 0.732 80 K HN 0.303 nan 8.250 nan 0.000 0.451 81 D N 0.904 121.290 120.400 -0.023 0.000 2.149 81 D HA -0.093 4.548 4.640 0.001 0.000 0.201 81 D C 1.839 178.093 176.300 -0.076 0.000 0.972 81 D CA 0.847 54.824 54.000 -0.039 0.000 0.835 81 D CB 0.090 40.860 40.800 -0.050 0.000 0.966 81 D HN 0.081 nan 8.370 nan 0.000 0.476 82 I N 1.632 122.136 120.570 -0.110 0.000 2.315 82 I HA -0.173 3.998 4.170 0.001 0.000 0.248 82 I C 1.800 177.827 176.117 -0.150 0.000 1.117 82 I CA 1.005 62.195 61.300 -0.184 0.000 1.404 82 I CB -0.900 36.954 38.000 -0.242 0.000 1.071 82 I HN -0.089 nan 8.210 nan 0.000 0.419 83 D N 1.250 121.611 120.400 -0.065 0.000 2.106 83 D HA -0.174 4.467 4.640 0.001 0.000 0.191 83 D C 2.352 178.639 176.300 -0.021 0.000 0.997 83 D CA 1.380 55.371 54.000 -0.015 0.000 0.834 83 D CB -0.183 40.664 40.800 0.079 0.000 0.956 83 D HN 0.310 nan 8.370 nan 0.000 0.448 84 I N 1.022 121.586 120.570 -0.010 0.000 2.286 84 I HA -0.244 3.927 4.170 0.001 0.000 0.248 84 I C 2.482 178.575 176.117 -0.040 0.000 1.115 84 I CA 0.907 62.200 61.300 -0.011 0.000 1.392 84 I CB -0.194 37.807 38.000 0.003 0.000 1.065 84 I HN -0.075 nan 8.210 nan 0.000 0.418 85 A N 0.933 123.706 122.820 -0.079 0.000 1.877 85 A HA -0.201 4.120 4.320 0.001 0.000 0.216 85 A C 2.392 179.899 177.584 -0.128 0.000 1.186 85 A CA 1.552 53.524 52.037 -0.108 0.000 0.620 85 A CB -0.542 18.365 19.000 -0.155 0.000 0.822 85 A HN 0.308 nan 8.150 nan 0.000 0.443 86 R N -0.889 119.499 120.500 -0.187 0.000 2.148 86 R HA -0.045 4.296 4.340 0.001 0.000 0.223 86 R C 2.120 178.434 176.300 0.023 0.000 1.088 86 R CA 1.064 57.053 56.100 -0.184 0.000 0.985 86 R CB -0.168 29.906 30.300 -0.377 0.000 0.880 86 R HN 0.751 nan 8.270 nan 0.000 0.451 87 E N 0.678 120.885 120.200 0.012 0.000 2.204 87 E HA -0.130 4.221 4.350 0.001 0.000 0.195 87 E C 0.556 177.169 176.600 0.022 0.000 0.990 87 E CA 0.876 57.296 56.400 0.033 0.000 0.821 87 E CB 0.216 29.923 29.700 0.013 0.000 0.750 87 E HN 0.269 nan 8.360 nan 0.000 0.477 88 N N 0.466 119.170 118.700 0.007 0.000 2.275 88 N HA 0.020 4.760 4.740 0.001 0.000 0.236 88 N C -0.524 174.998 175.510 0.020 0.000 1.154 88 N CA 0.093 53.146 53.050 0.006 0.000 0.866 88 N CB 0.753 39.238 38.487 -0.004 0.000 1.093 88 N HN 0.002 nan 8.380 nan 0.000 0.515 89 N N 0.643 119.372 118.700 0.049 0.000 2.635 89 N HA 0.135 4.876 4.740 0.001 0.000 0.252 89 N C -2.063 173.590 175.510 0.238 0.000 1.589 89 N CA -1.101 52.009 53.050 0.099 0.000 0.828 89 N CB 0.878 39.393 38.487 0.047 0.000 1.403 89 N HN -0.110 nan 8.380 nan 0.000 0.518 90 P HA -0.055 nan 4.420 nan 0.000 0.219 90 P C -0.180 177.326 177.300 0.344 0.000 1.146 90 P CA 1.146 64.436 63.100 0.316 0.000 0.808 90 P CB 0.387 32.070 31.700 -0.028 0.000 0.779 91 D N -0.694 119.862 120.400 0.261 0.000 2.336 91 D HA -0.027 4.614 4.640 0.001 0.000 0.228 91 D C 1.745 178.095 176.300 0.083 0.000 1.120 91 D CA -0.089 54.006 54.000 0.158 0.000 0.839 91 D CB -0.884 40.013 40.800 0.162 0.000 0.932 91 D HN 0.437 nan 8.370 nan 0.000 0.509 92 W N 1.429 122.719 121.300 -0.017 0.000 2.364 92 W HA -0.149 4.511 4.660 0.001 0.000 0.281 92 W C 1.427 177.915 176.519 -0.052 0.000 1.219 92 W CA 0.479 57.787 57.345 -0.061 0.000 1.220 92 W CB -1.168 28.210 29.460 -0.138 0.000 1.127 92 W HN 0.089 nan 8.180 nan 0.000 0.556 93 I N -0.915 119.127 120.570 -0.880 0.000 2.676 93 I HA -0.089 4.082 4.170 0.001 0.000 0.259 93 I C 2.033 177.950 176.117 -0.335 0.000 1.194 93 I CA 1.141 61.947 61.300 -0.823 0.000 1.473 93 I CB -0.799 36.705 38.000 -0.825 0.000 1.096 93 I HN -0.091 nan 8.210 nan 0.000 0.443 94 L N 0.822 121.931 121.223 -0.190 0.000 2.567 94 L HA 0.174 4.514 4.340 0.001 0.000 0.225 94 L C 1.352 178.200 176.870 -0.037 0.000 1.119 94 L CA -0.112 54.675 54.840 -0.088 0.000 0.871 94 L CB 0.022 42.051 42.059 -0.051 0.000 1.036 94 L HN 0.206 nan 8.230 nan 0.000 0.459 95 S N 0.992 116.678 115.700 -0.023 0.000 2.549 95 S HA -0.026 4.445 4.470 0.001 0.000 0.283 95 S C 1.497 176.105 174.600 0.013 0.000 1.320 95 S CA -0.576 57.635 58.200 0.018 0.000 1.058 95 S CB 0.434 63.665 63.200 0.051 0.000 0.882 95 S HN 0.449 nan 8.310 nan 0.000 0.498 96 N N 5.042 123.762 118.700 0.032 0.000 2.453 96 N HA -0.126 4.615 4.740 0.001 0.000 0.183 96 N C 0.935 176.450 175.510 0.007 0.000 1.041 96 N CA 0.775 53.843 53.050 0.031 0.000 0.900 96 N CB -0.164 38.371 38.487 0.080 0.000 0.961 96 N HN 0.630 nan 8.380 nan 0.000 0.443 97 K N -0.089 120.324 120.400 0.022 0.000 2.283 97 K HA 0.008 4.328 4.320 0.001 0.000 0.202 97 K C 0.366 176.980 176.600 0.023 0.000 1.048 97 K CA 0.532 56.834 56.287 0.024 0.000 0.948 97 K CB 0.075 32.601 32.500 0.043 0.000 0.742 97 K HN 0.269 nan 8.250 nan 0.000 0.458 98 Q N 1.068 120.878 119.800 0.016 0.000 2.304 98 Q HA 0.203 4.544 4.340 0.001 0.000 0.260 98 Q C -0.686 175.293 176.000 -0.035 0.000 0.965 98 Q CA 0.153 55.961 55.803 0.007 0.000 0.898 98 Q CB 1.665 30.389 28.738 -0.023 0.000 1.196 98 Q HN -0.135 nan 8.270 nan 0.000 0.402 99 V N 1.511 121.409 119.914 -0.027 0.000 2.655 99 V HA 0.582 4.703 4.120 0.001 0.000 0.301 99 V C 0.069 176.136 176.094 -0.045 0.000 1.082 99 V CA -0.843 61.430 62.300 -0.046 0.000 0.899 99 V CB 2.110 33.924 31.823 -0.014 0.000 1.014 99 V HN 0.845 nan 8.190 nan 0.000 0.429 100 G N 2.234 110.948 108.800 -0.143 0.000 2.489 100 G HA2 0.836 4.796 3.960 0.001 0.000 0.327 100 G HA3 0.836 4.796 3.960 0.001 0.000 0.327 100 G C -0.307 174.619 174.900 0.043 0.000 1.189 100 G CA -0.341 44.710 45.100 -0.081 0.000 0.962 100 G HN 1.096 nan 8.290 nan 0.000 0.486 101 G N -1.927 106.944 108.800 0.118 0.000 2.619 101 G HA2 0.676 4.637 3.960 0.001 0.000 0.296 101 G HA3 0.676 4.637 3.960 0.001 0.000 0.296 101 G C -1.702 173.231 174.900 0.054 0.000 1.334 101 G CA -0.500 44.635 45.100 0.057 0.000 0.934 101 G HN 1.329 nan 8.290 nan 0.000 0.476 102 V N -0.026 119.890 119.914 0.005 0.000 2.841 102 V HA 0.824 4.944 4.120 0.001 0.000 0.310 102 V C -0.468 175.445 176.094 -0.301 0.000 1.090 102 V CA -0.235 62.004 62.300 -0.102 0.000 0.930 102 V CB 1.289 33.167 31.823 0.092 0.000 1.014 102 V HN 1.772 nan 8.190 nan 0.000 0.425 103 C N 3.542 122.600 119.300 -0.403 0.000 3.312 103 C HA 0.697 5.158 4.460 0.001 0.000 0.332 103 C C -1.468 173.375 174.990 -0.245 0.000 1.340 103 C CA -1.070 57.751 59.018 -0.328 0.000 1.265 103 C CB 0.863 28.329 27.740 -0.456 0.000 1.563 103 C HN 0.869 nan 8.230 nan 0.000 0.471 104 Y N 1.286 121.553 120.300 -0.056 0.000 2.313 104 Y HA 0.405 4.956 4.550 0.001 0.000 0.332 104 Y C 1.507 177.452 175.900 0.074 0.000 1.071 104 Y CA 0.085 58.189 58.100 0.007 0.000 1.169 104 Y CB 1.405 39.926 38.460 0.102 0.000 1.192 104 Y HN 0.604 nan 8.280 nan 0.000 0.487 105 V N 2.441 122.453 119.914 0.165 0.000 2.287 105 V HA -0.307 3.814 4.120 0.001 0.000 0.248 105 V C 1.904 178.093 176.094 0.158 0.000 1.053 105 V CA 2.353 64.737 62.300 0.140 0.000 1.027 105 V CB -0.382 31.472 31.823 0.051 0.000 0.646 105 V HN 0.919 nan 8.190 nan 0.000 0.447 106 D N 0.272 120.765 120.400 0.156 0.000 2.097 106 D HA -0.177 4.464 4.640 0.001 0.000 0.197 106 D C 2.056 178.431 176.300 0.124 0.000 0.984 106 D CA 1.433 55.499 54.000 0.110 0.000 0.826 106 D CB -0.508 40.348 40.800 0.093 0.000 0.973 106 D HN 0.433 nan 8.370 nan 0.000 0.460 107 L N -1.206 120.132 121.223 0.192 0.000 2.072 107 L HA -0.028 4.313 4.340 0.001 0.000 0.205 107 L C 2.609 179.623 176.870 0.241 0.000 1.079 107 L CA 0.838 55.793 54.840 0.192 0.000 0.752 107 L CB -0.434 41.745 42.059 0.199 0.000 0.906 107 L HN -0.061 nan 8.230 nan 0.000 0.436 108 F N 0.030 120.064 119.950 0.140 0.000 2.335 108 F HA 0.108 4.635 4.527 0.001 0.000 0.296 108 F C 1.747 177.511 175.800 -0.061 0.000 1.091 108 F CA 0.896 58.972 58.000 0.126 0.000 1.399 108 F CB 0.243 39.343 39.000 0.165 0.000 1.067 108 F HN -0.047 nan 8.300 nan 0.000 0.520 109 A N -1.428 121.416 122.820 0.039 0.000 2.596 109 A HA 0.565 4.886 4.320 0.001 0.000 0.276 109 A C 1.296 178.831 177.584 -0.080 0.000 0.962 109 A CA 0.508 52.465 52.037 -0.132 0.000 1.010 109 A CB -0.623 18.361 19.000 -0.026 0.000 1.220 109 A HN 0.705 nan 8.150 nan 0.000 0.549 110 G N 0.906 109.689 108.800 -0.028 0.000 4.655 110 G HA2 -0.280 3.680 3.960 0.001 0.000 0.220 110 G HA3 -0.280 3.680 3.960 0.001 0.000 0.220 110 G C 0.072 174.969 174.900 -0.005 0.000 1.403 110 G CA 1.260 46.346 45.100 -0.024 0.000 0.931 110 G HN 1.444 nan 8.290 nan 0.000 0.654 111 D N -0.931 119.461 120.400 -0.013 0.000 2.752 111 D HA 0.579 5.219 4.640 0.001 0.000 0.313 111 D C 1.345 177.641 176.300 -0.006 0.000 1.225 111 D CA -0.312 53.682 54.000 -0.010 0.000 0.976 111 D CB -0.025 40.761 40.800 -0.023 0.000 1.443 111 D HN 0.335 nan 8.370 nan 0.000 0.515 112 L N -0.435 120.778 121.223 -0.017 0.000 2.083 112 L HA -0.110 4.231 4.340 0.001 0.000 0.209 112 L C 2.153 179.017 176.870 -0.010 0.000 1.083 112 L CA 1.274 56.105 54.840 -0.016 0.000 0.752 112 L CB -0.435 41.602 42.059 -0.037 0.000 0.899 112 L HN 0.366 nan 8.230 nan 0.000 0.433 113 K N -0.146 120.242 120.400 -0.019 0.000 2.057 113 K HA -0.076 4.245 4.320 0.001 0.000 0.206 113 K C 2.162 178.746 176.600 -0.027 0.000 1.050 113 K CA 1.197 57.471 56.287 -0.022 0.000 0.935 113 K CB -0.424 32.059 32.500 -0.027 0.000 0.715 113 K HN 0.364 nan 8.250 nan 0.000 0.439 114 G N 1.952 110.731 108.800 -0.036 0.000 2.408 114 G HA2 -0.213 3.747 3.960 0.001 0.000 0.217 114 G HA3 -0.213 3.747 3.960 0.001 0.000 0.217 114 G C 1.367 176.241 174.900 -0.043 0.000 1.150 114 G CA 0.169 45.231 45.100 -0.062 0.000 0.776 114 G HN 0.119 nan 8.290 nan 0.000 0.542 115 L N 0.805 122.037 121.223 0.016 0.000 2.046 115 L HA 0.040 4.380 4.340 0.001 0.000 0.208 115 L C 2.494 179.425 176.870 0.102 0.000 1.077 115 L CA 2.250 57.151 54.840 0.102 0.000 0.747 115 L CB -0.765 41.370 42.059 0.128 0.000 0.896 115 L HN 0.269 nan 8.230 nan 0.000 0.432 116 K N -0.284 120.147 120.400 0.052 0.000 2.152 116 K HA -0.193 4.128 4.320 0.001 0.000 0.206 116 K C 1.423 178.033 176.600 0.016 0.000 1.048 116 K CA 1.691 58.006 56.287 0.046 0.000 0.933 116 K CB 0.049 32.558 32.500 0.016 0.000 0.721 116 K HN 0.390 nan 8.250 nan 0.000 0.447 117 D N 0.247 120.631 120.400 -0.026 0.000 2.347 117 D HA -0.073 4.568 4.640 0.001 0.000 0.215 117 D C 1.307 177.541 176.300 -0.111 0.000 0.976 117 D CA 0.610 54.573 54.000 -0.062 0.000 0.884 117 D CB 0.276 41.026 40.800 -0.084 0.000 0.915 117 D HN 0.094 nan 8.370 nan 0.000 0.526 118 K N 0.532 120.844 120.400 -0.146 0.000 2.400 118 K HA 0.135 4.456 4.320 0.001 0.000 0.194 118 K C 2.076 178.379 176.600 -0.494 0.000 1.033 118 K CA -0.160 55.924 56.287 -0.337 0.000 1.021 118 K CB 0.307 32.582 32.500 -0.375 0.000 0.808 118 K HN 0.259 nan 8.250 nan 0.000 0.505 119 I N 1.649 122.139 120.570 -0.133 0.000 2.185 119 I HA -0.265 3.906 4.170 0.001 0.000 0.246 119 I C -0.865 175.273 176.117 0.034 0.000 1.088 119 I CA 1.537 62.899 61.300 0.104 0.000 1.347 119 I CB -1.299 36.799 38.000 0.164 0.000 1.041 119 I HN 0.043 nan 8.210 nan 0.000 0.415 120 P HA -0.223 nan 4.420 nan 0.000 0.216 120 P C 1.556 178.880 177.300 0.040 0.000 1.150 120 P CA 1.413 64.530 63.100 0.027 0.000 0.837 120 P CB -0.133 31.577 31.700 0.018 0.000 0.786 121 Y N -0.484 119.734 120.300 -0.137 0.000 2.200 121 Y HA -0.182 4.369 4.550 0.001 0.000 0.290 121 Y C 1.897 177.831 175.900 0.057 0.000 1.137 121 Y CA 1.325 59.375 58.100 -0.083 0.000 1.163 121 Y CB -1.118 37.229 38.460 -0.188 0.000 0.988 121 Y HN -0.182 nan 8.280 nan 0.000 0.518 122 F N 0.906 120.812 119.950 -0.072 0.000 2.161 122 F HA -0.241 4.287 4.527 0.001 0.000 0.300 122 F C 2.419 178.149 175.800 -0.117 0.000 1.089 122 F CA 1.651 59.566 58.000 -0.143 0.000 1.282 122 F CB -1.177 37.825 39.000 0.004 0.000 1.010 122 F HN 0.196 nan 8.300 nan 0.000 0.485 123 Q N -0.337 119.534 119.800 0.119 0.000 2.172 123 Q HA -0.179 4.161 4.340 0.001 0.000 0.200 123 Q C 2.185 178.208 176.000 0.039 0.000 0.964 123 Q CA 1.212 57.063 55.803 0.080 0.000 0.855 123 Q CB -0.338 28.448 28.738 0.080 0.000 0.918 123 Q HN 0.527 nan 8.270 nan 0.000 0.444 124 E N 0.895 121.101 120.200 0.009 0.000 2.077 124 E HA -0.212 4.139 4.350 0.001 0.000 0.193 124 E C 1.900 178.528 176.600 0.046 0.000 0.989 124 E CA 0.763 57.192 56.400 0.048 0.000 0.800 124 E CB 0.063 29.824 29.700 0.102 0.000 0.746 124 E HN 0.211 nan 8.360 nan 0.000 0.452 125 L N -0.306 120.863 121.223 -0.090 0.000 2.217 125 L HA 0.073 4.413 4.340 0.001 0.000 0.211 125 L C 1.437 178.298 176.870 -0.014 0.000 1.107 125 L CA 2.131 56.948 54.840 -0.039 0.000 0.783 125 L CB 0.093 42.056 42.059 -0.160 0.000 0.919 125 L HN 0.353 nan 8.230 nan 0.000 0.442 126 G N -1.356 107.447 108.800 0.004 0.000 2.148 126 G HA2 -0.188 3.773 3.960 0.001 0.000 0.203 126 G HA3 -0.188 3.773 3.960 0.001 0.000 0.203 126 G C 0.186 175.104 174.900 0.031 0.000 0.993 126 G CA 0.066 45.177 45.100 0.018 0.000 0.661 126 G HN 0.294 nan 8.290 nan 0.000 0.518 127 L N 0.944 122.195 121.223 0.046 0.000 2.461 127 L HA 0.457 4.797 4.340 0.001 0.000 0.272 127 L C 1.718 178.633 176.870 0.076 0.000 1.197 127 L CA 1.033 55.905 54.840 0.054 0.000 0.836 127 L CB 0.801 42.879 42.059 0.031 0.000 1.105 127 L HN 0.412 nan 8.230 nan 0.000 0.477 128 T N -2.094 112.522 114.554 0.103 0.000 3.144 128 T HA 0.147 4.497 4.350 0.001 0.000 0.290 128 T C -0.489 174.342 174.700 0.218 0.000 0.966 128 T CA -0.242 61.937 62.100 0.132 0.000 0.907 128 T CB 0.019 68.961 68.868 0.122 0.000 1.152 128 T HN 0.434 nan 8.240 nan 0.000 0.532 129 Y N 0.854 121.164 120.300 0.017 0.000 2.358 129 Y HA 0.662 5.213 4.550 0.001 0.000 0.324 129 Y C -2.445 173.429 175.900 -0.043 0.000 1.123 129 Y CA -2.198 55.915 58.100 0.022 0.000 1.067 129 Y CB 1.579 40.059 38.460 0.033 0.000 1.230 129 Y HN 0.204 nan 8.280 nan 0.000 0.429 130 L N 8.230 129.452 121.223 -0.003 0.000 2.372 130 L HA 0.490 4.831 4.340 0.001 0.000 0.274 130 L C -2.197 174.624 176.870 -0.081 0.000 0.988 130 L CA -0.770 54.009 54.840 -0.101 0.000 0.833 130 L CB 1.108 42.974 42.059 -0.322 0.000 1.236 130 L HN 0.607 nan 8.230 nan 0.000 0.410 131 Y N 6.022 126.250 120.300 -0.119 0.000 2.335 131 Y HA 0.644 5.194 4.550 0.001 0.000 0.339 131 Y C -1.451 174.373 175.900 -0.127 0.000 0.987 131 Y CA -1.498 56.538 58.100 -0.106 0.000 1.140 131 Y CB 0.891 39.382 38.460 0.050 0.000 1.173 131 Y HN 0.536 nan 8.280 nan 0.000 0.486 132 L N 7.258 128.389 121.223 -0.153 0.000 2.295 132 L HA 0.358 4.699 4.340 0.001 0.000 0.285 132 L C 0.024 176.608 176.870 -0.477 0.000 1.035 132 L CA -0.946 53.696 54.840 -0.330 0.000 0.806 132 L CB 1.162 43.132 42.059 -0.148 0.000 1.214 132 L HN 0.562 nan 8.230 nan 0.000 0.426 133 M N 2.456 121.670 119.600 -0.644 0.000 2.207 133 M HA 0.208 4.688 4.480 0.001 0.000 0.311 133 M C -2.048 174.073 176.300 -0.298 0.000 1.127 133 M CA -2.168 52.748 55.300 -0.640 0.000 1.181 133 M CB -0.898 31.061 32.600 -1.068 0.000 1.409 133 M HN 0.190 nan 8.290 nan 0.000 0.461 134 P HA -0.094 nan 4.420 nan 0.000 0.255 134 P C 0.046 177.291 177.300 -0.092 0.000 1.141 134 P CA 0.619 63.609 63.100 -0.183 0.000 0.767 134 P CB -0.082 31.402 31.700 -0.360 0.000 0.726 135 L N 0.624 121.780 121.223 -0.112 0.000 2.858 135 L HA 0.470 4.811 4.340 0.001 0.000 0.251 135 L C 0.054 176.712 176.870 -0.354 0.000 1.149 135 L CA 0.204 54.904 54.840 -0.233 0.000 0.955 135 L CB -0.459 41.406 42.059 -0.324 0.000 1.289 135 L HN -0.018 nan 8.230 nan 0.000 0.542 136 F N 0.798 120.730 119.950 -0.029 0.000 2.408 136 F HA 0.493 5.020 4.527 0.001 0.000 0.325 136 F C 1.057 176.810 175.800 -0.078 0.000 1.082 136 F CA -0.837 57.138 58.000 -0.042 0.000 1.032 136 F CB 0.627 39.601 39.000 -0.043 0.000 1.259 136 F HN -0.191 nan 8.300 nan 0.000 0.503 137 K N 1.407 121.874 120.400 0.112 0.000 2.569 137 K HA 0.169 4.490 4.320 0.001 0.000 0.280 137 K C -0.622 175.953 176.600 -0.042 0.000 0.984 137 K CA 0.303 56.588 56.287 -0.004 0.000 1.064 137 K CB -0.166 32.305 32.500 -0.048 0.000 0.866 137 K HN 0.768 nan 8.250 nan 0.000 0.492 138 C N 0.866 120.138 119.300 -0.047 0.000 3.288 138 C HA 0.510 4.970 4.460 0.001 0.000 0.318 138 C C -2.958 171.990 174.990 -0.071 0.000 1.356 138 C CA -2.525 56.464 59.018 -0.048 0.000 1.359 138 C CB 0.871 28.612 27.740 0.002 0.000 1.688 138 C HN 0.547 nan 8.230 nan 0.000 0.467 139 P HA 0.200 nan 4.420 nan 0.000 0.265 139 P C -0.296 176.930 177.300 -0.125 0.000 1.187 139 P CA 0.631 63.649 63.100 -0.138 0.000 0.766 139 P CB 0.381 31.949 31.700 -0.220 0.000 0.820 140 E N 1.246 121.379 120.200 -0.110 0.000 2.354 140 E HA 0.338 4.689 4.350 0.001 0.000 0.269 140 E C 1.127 177.661 176.600 -0.109 0.000 1.036 140 E CA 0.542 56.887 56.400 -0.091 0.000 0.876 140 E CB 0.362 30.017 29.700 -0.076 0.000 1.009 140 E HN 0.687 nan 8.360 nan 0.000 0.416 141 G N 3.704 112.448 108.800 -0.094 0.000 2.972 141 G HA2 -0.286 3.675 3.960 0.001 0.000 0.265 141 G HA3 -0.286 3.675 3.960 0.001 0.000 0.265 141 G C -0.514 174.325 174.900 -0.102 0.000 1.506 141 G CA -0.314 44.728 45.100 -0.097 0.000 1.016 141 G HN 0.475 nan 8.290 nan 0.000 0.563 142 K N 1.697 122.003 120.400 -0.158 0.000 2.248 142 K HA 0.555 4.876 4.320 0.001 0.000 0.281 142 K C 0.298 176.639 176.600 -0.431 0.000 1.054 142 K CA 0.428 56.611 56.287 -0.173 0.000 0.903 142 K CB 1.318 33.748 32.500 -0.117 0.000 1.077 142 K HN 0.770 nan 8.250 nan 0.000 0.474 143 S N 1.063 116.713 115.700 -0.084 0.000 3.053 143 S HA 0.017 4.487 4.470 0.001 0.000 0.255 143 S C -0.095 174.752 174.600 0.410 0.000 0.976 143 S CA -0.410 57.801 58.200 0.018 0.000 1.159 143 S CB -0.019 63.205 63.200 0.039 0.000 1.110 143 S HN 0.740 nan 8.310 nan 0.000 0.633 144 D N 1.889 122.627 120.400 0.564 0.000 2.699 144 D HA -0.126 4.515 4.640 0.001 0.000 0.239 144 D C 0.956 177.580 176.300 0.541 0.000 1.136 144 D CA 1.505 55.861 54.000 0.594 0.000 0.668 144 D CB -1.717 39.455 40.800 0.620 0.000 1.060 144 D HN 1.476 nan 8.370 nan 0.000 0.429 145 G N -0.634 108.515 108.800 0.582 0.000 2.341 145 G HA2 0.095 4.055 3.960 0.001 0.000 0.292 145 G HA3 0.095 4.055 3.960 0.001 0.000 0.292 145 G C 1.464 176.639 174.900 0.459 0.000 1.021 145 G CA 0.988 46.442 45.100 0.591 0.000 0.905 145 G HN 1.789 nan 8.290 nan 0.000 0.508 146 G N -2.174 106.821 108.800 0.324 0.000 2.195 146 G HA2 -0.313 3.647 3.960 0.001 0.000 0.246 146 G HA3 -0.313 3.647 3.960 0.001 0.000 0.246 146 G C 0.781 175.698 174.900 0.030 0.000 0.984 146 G CA 0.822 46.004 45.100 0.136 0.000 0.633 146 G HN 0.988 nan 8.290 nan 0.000 0.525 147 Y N 1.139 121.570 120.300 0.219 0.000 2.529 147 Y HA 0.523 5.074 4.550 0.001 0.000 0.290 147 Y C 1.869 177.925 175.900 0.259 0.000 1.177 147 Y CA 0.848 59.073 58.100 0.207 0.000 1.305 147 Y CB 0.544 39.123 38.460 0.198 0.000 1.047 147 Y HN 0.542 nan 8.280 nan 0.000 0.522 148 A N 0.656 123.686 122.820 0.349 0.000 2.654 148 A HA 0.532 4.853 4.320 0.001 0.000 0.345 148 A C -0.610 177.053 177.584 0.132 0.000 1.368 148 A CA -0.469 51.774 52.037 0.342 0.000 0.895 148 A CB -0.450 18.846 19.000 0.493 0.000 1.143 148 A HN 0.011 nan 8.150 nan 0.000 0.490 149 V N 2.220 122.150 119.914 0.027 0.000 2.508 149 V HA 0.113 4.233 4.120 0.001 0.000 0.281 149 V C 1.101 177.096 176.094 -0.164 0.000 1.041 149 V CA 0.509 62.712 62.300 -0.162 0.000 1.016 149 V CB 1.254 32.795 31.823 -0.471 0.000 0.984 149 V HN 0.853 nan 8.190 nan 0.000 0.478 150 S N 2.495 118.077 115.700 -0.197 0.000 2.524 150 S HA 0.164 4.634 4.470 0.001 0.000 0.215 150 S C 0.536 174.794 174.600 -0.569 0.000 0.986 150 S CA 0.308 58.346 58.200 -0.270 0.000 0.911 150 S CB 0.324 63.397 63.200 -0.213 0.000 0.805 150 S HN 0.778 nan 8.310 nan 0.000 0.501 151 S N -0.449 114.951 115.700 -0.499 0.000 2.582 151 S HA 0.404 4.875 4.470 0.001 0.000 0.287 151 S C -0.956 173.371 174.600 -0.455 0.000 1.146 151 S CA -0.569 57.312 58.200 -0.532 0.000 0.941 151 S CB 0.318 63.315 63.200 -0.340 0.000 1.115 151 S HN 0.222 nan 8.310 nan 0.000 0.458 152 Y N 3.270 123.371 120.300 -0.331 0.000 2.490 152 Y HA 0.313 4.864 4.550 0.001 0.000 0.281 152 Y C 2.128 177.502 175.900 -0.877 0.000 1.174 152 Y CA 0.104 57.903 58.100 -0.502 0.000 1.295 152 Y CB 0.297 38.595 38.460 -0.271 0.000 1.062 152 Y HN 0.525 nan 8.280 nan 0.000 0.522 153 R N -1.181 119.018 120.500 -0.502 0.000 2.513 153 R HA 0.113 4.454 4.340 0.001 0.000 0.245 153 R C -0.708 175.668 176.300 0.126 0.000 0.908 153 R CA 0.050 55.864 56.100 -0.475 0.000 1.023 153 R CB 0.626 30.406 30.300 -0.866 0.000 1.338 153 R HN 0.084 nan 8.270 nan 0.000 0.575 154 D N 2.330 122.831 120.400 0.168 0.000 2.359 154 D HA 0.155 4.796 4.640 0.001 0.000 0.230 154 D C 0.005 176.512 176.300 0.344 0.000 1.118 154 D CA -0.168 53.962 54.000 0.217 0.000 0.844 154 D CB 2.383 43.205 40.800 0.037 0.000 1.059 154 D HN -0.229 nan 8.370 nan 0.000 0.493 155 V N 2.997 123.039 119.914 0.212 0.000 2.763 155 V HA -0.103 4.017 4.120 0.001 0.000 0.306 155 V C 1.176 177.241 176.094 -0.050 0.000 1.059 155 V CA -0.269 61.981 62.300 -0.083 0.000 1.138 155 V CB 0.497 32.229 31.823 -0.152 0.000 0.940 155 V HN 0.516 nan 8.190 nan 0.000 0.489 156 N N 7.204 125.844 118.700 -0.099 0.000 2.414 156 N HA 0.020 4.761 4.740 0.001 0.000 0.268 156 N C -0.999 174.480 175.510 -0.051 0.000 1.286 156 N CA -1.417 51.600 53.050 -0.055 0.000 0.896 156 N CB 1.214 39.669 38.487 -0.054 0.000 1.093 156 N HN 0.392 nan 8.380 nan 0.000 0.480 157 P HA -0.195 nan 4.420 nan 0.000 0.218 157 P C 0.728 178.009 177.300 -0.032 0.000 1.146 157 P CA 1.240 64.321 63.100 -0.032 0.000 0.820 157 P CB 0.134 31.816 31.700 -0.029 0.000 0.778 158 A N -0.551 122.250 122.820 -0.032 0.000 2.067 158 A HA -0.047 4.274 4.320 0.001 0.000 0.219 158 A C 2.304 179.872 177.584 -0.027 0.000 1.158 158 A CA 1.002 53.023 52.037 -0.027 0.000 0.661 158 A CB -1.197 17.790 19.000 -0.021 0.000 0.801 158 A HN 0.200 nan 8.150 nan 0.000 0.452 159 L N -2.388 118.813 121.223 -0.036 0.000 2.463 159 L HA 0.385 4.725 4.340 0.001 0.000 0.219 159 L C 1.351 178.192 176.870 -0.047 0.000 1.088 159 L CA 0.474 55.289 54.840 -0.041 0.000 0.849 159 L CB -0.129 41.892 42.059 -0.062 0.000 1.012 159 L HN 0.575 nan 8.230 nan 0.000 0.468 160 G N -0.111 108.660 108.800 -0.048 0.000 2.260 160 G HA2 0.023 3.983 3.960 0.001 0.000 0.250 160 G HA3 0.023 3.983 3.960 0.001 0.000 0.250 160 G C -0.678 174.198 174.900 -0.039 0.000 1.340 160 G CA -0.187 44.889 45.100 -0.041 0.000 1.056 160 G HN 0.063 nan 8.290 nan 0.000 0.471 161 T N -2.006 112.530 114.554 -0.029 0.000 2.927 161 T HA 0.596 4.946 4.350 0.001 0.000 0.286 161 T C 1.310 176.010 174.700 -0.001 0.000 1.040 161 T CA 0.240 62.335 62.100 -0.009 0.000 1.010 161 T CB 1.879 70.750 68.868 0.004 0.000 1.177 161 T HN 1.308 nan 8.240 nan 0.000 0.546 162 I N 1.366 121.964 120.570 0.048 0.000 2.454 162 I HA 0.115 4.285 4.170 0.001 0.000 0.254 162 I C 2.230 178.377 176.117 0.051 0.000 1.156 162 I CA 1.711 63.068 61.300 0.094 0.000 1.433 162 I CB -0.904 37.218 38.000 0.204 0.000 1.082 162 I HN 0.914 nan 8.210 nan 0.000 0.432 163 G N -0.362 108.457 108.800 0.032 0.000 2.408 163 G HA2 -0.206 3.754 3.960 0.001 0.000 0.217 163 G HA3 -0.206 3.754 3.960 0.001 0.000 0.217 163 G C 1.415 176.311 174.900 -0.006 0.000 1.150 163 G CA 0.795 45.903 45.100 0.014 0.000 0.776 163 G HN 0.370 nan 8.290 nan 0.000 0.542 164 D N 0.205 120.596 120.400 -0.013 0.000 2.144 164 D HA -0.084 4.557 4.640 0.001 0.000 0.200 164 D C 2.404 178.682 176.300 -0.037 0.000 0.978 164 D CA 0.566 54.550 54.000 -0.025 0.000 0.833 164 D CB -0.104 40.678 40.800 -0.030 0.000 0.961 164 D HN 0.244 nan 8.370 nan 0.000 0.470 165 L N 1.306 122.502 121.223 -0.044 0.000 2.056 165 L HA -0.086 4.254 4.340 0.001 0.000 0.207 165 L C 2.268 179.104 176.870 -0.056 0.000 1.078 165 L CA 1.571 56.374 54.840 -0.061 0.000 0.749 165 L CB -0.432 41.582 42.059 -0.076 0.000 0.901 165 L HN -0.176 nan 8.230 nan 0.000 0.433 166 R N -0.615 119.860 120.500 -0.041 0.000 2.115 166 R HA -0.135 4.205 4.340 0.001 0.000 0.230 166 R C 2.090 178.353 176.300 -0.062 0.000 1.111 166 R CA 1.512 57.579 56.100 -0.055 0.000 0.976 166 R CB -0.061 30.216 30.300 -0.037 0.000 0.870 166 R HN 0.550 nan 8.270 nan 0.000 0.445 167 E N -0.463 119.710 120.200 -0.045 0.000 2.072 167 E HA -0.131 4.219 4.350 0.001 0.000 0.190 167 E C 1.992 178.562 176.600 -0.049 0.000 0.982 167 E CA 1.216 57.592 56.400 -0.040 0.000 0.803 167 E CB 0.109 29.793 29.700 -0.025 0.000 0.755 167 E HN 0.129 nan 8.360 nan 0.000 0.453 168 V N 1.834 121.718 119.914 -0.050 0.000 2.255 168 V HA -0.279 3.842 4.120 0.001 0.000 0.247 168 V C 2.297 178.337 176.094 -0.091 0.000 1.051 168 V CA 1.629 63.901 62.300 -0.046 0.000 1.018 168 V CB -0.406 31.394 31.823 -0.039 0.000 0.641 168 V HN 0.263 nan 8.190 nan 0.000 0.445 169 I N 0.342 120.825 120.570 -0.144 0.000 2.163 169 I HA -0.272 3.899 4.170 0.001 0.000 0.243 169 I C 2.663 178.547 176.117 -0.388 0.000 1.085 169 I CA 1.602 62.732 61.300 -0.284 0.000 1.347 169 I CB -0.635 37.196 38.000 -0.281 0.000 1.044 169 I HN 0.310 nan 8.210 nan 0.000 0.408 170 A N 0.725 123.415 122.820 -0.216 0.000 1.902 170 A HA -0.153 4.168 4.320 0.001 0.000 0.217 170 A C 2.543 180.094 177.584 -0.054 0.000 1.181 170 A CA 1.842 53.807 52.037 -0.120 0.000 0.623 170 A CB -0.793 18.176 19.000 -0.051 0.000 0.818 170 A HN 0.442 nan 8.150 nan 0.000 0.443 171 A N -0.366 122.426 122.820 -0.047 0.000 1.933 171 A HA -0.007 4.314 4.320 0.001 0.000 0.218 171 A C 2.160 179.757 177.584 0.022 0.000 1.175 171 A CA 1.414 53.450 52.037 -0.000 0.000 0.628 171 A CB -0.542 18.462 19.000 0.007 0.000 0.814 171 A HN 0.473 nan 8.150 nan 0.000 0.444 172 L N -1.579 119.634 121.223 -0.016 0.000 2.056 172 L HA -0.205 4.136 4.340 0.001 0.000 0.207 172 L C 2.546 179.479 176.870 0.105 0.000 1.078 172 L CA 1.618 56.474 54.840 0.026 0.000 0.749 172 L CB -0.738 41.298 42.059 -0.038 0.000 0.901 172 L HN 0.548 nan 8.230 nan 0.000 0.433 173 H N -0.734 118.330 119.070 -0.009 0.000 2.353 173 H HA -0.134 4.423 4.556 0.001 0.000 0.300 173 H C 2.151 177.472 175.328 -0.012 0.000 1.090 173 H CA 0.733 56.768 56.048 -0.022 0.000 1.327 173 H CB 0.321 30.060 29.762 -0.039 0.000 1.383 173 H HN 0.281 nan 8.280 nan 0.000 0.508 174 E N 0.728 121.004 120.200 0.125 0.000 2.153 174 E HA -0.100 4.251 4.350 0.001 0.000 0.194 174 E C 2.089 178.726 176.600 0.061 0.000 0.988 174 E CA 0.777 57.218 56.400 0.069 0.000 0.811 174 E CB -0.091 29.638 29.700 0.049 0.000 0.746 174 E HN 0.446 nan 8.360 nan 0.000 0.466 175 A N 0.111 122.976 122.820 0.075 0.000 2.238 175 A HA 0.298 4.619 4.320 0.001 0.000 0.208 175 A C 1.458 179.086 177.584 0.073 0.000 1.177 175 A CA 0.814 52.895 52.037 0.074 0.000 0.804 175 A CB -0.255 18.801 19.000 0.093 0.000 0.823 175 A HN 0.230 nan 8.150 nan 0.000 0.482 176 G N -0.509 108.333 108.800 0.069 0.000 2.225 176 G HA2 -0.212 3.748 3.960 0.001 0.000 0.264 176 G HA3 -0.212 3.748 3.960 0.001 0.000 0.264 176 G C -0.141 174.804 174.900 0.074 0.000 1.060 176 G CA 0.450 45.581 45.100 0.052 0.000 0.833 176 G HN 0.529 nan 8.290 nan 0.000 0.498 177 I N 0.554 121.185 120.570 0.103 0.000 2.436 177 I HA 0.362 4.533 4.170 0.001 0.000 0.289 177 I C 0.442 176.644 176.117 0.141 0.000 1.010 177 I CA -0.791 60.574 61.300 0.108 0.000 1.098 177 I CB 2.067 40.117 38.000 0.084 0.000 1.266 177 I HN 0.075 nan 8.210 nan 0.000 0.434 178 S N 3.971 119.740 115.700 0.116 0.000 2.565 178 S HA 0.557 5.028 4.470 0.001 0.000 0.276 178 S C 0.123 174.717 174.600 -0.010 0.000 1.326 178 S CA -0.617 57.639 58.200 0.093 0.000 1.045 178 S CB 1.336 64.598 63.200 0.105 0.000 0.918 178 S HN 0.679 nan 8.310 nan 0.000 0.505 179 A N 2.913 125.741 122.820 0.014 0.000 2.274 179 A HA 0.666 4.987 4.320 0.001 0.000 0.309 179 A C -0.649 176.870 177.584 -0.107 0.000 1.226 179 A CA -0.561 51.431 52.037 -0.075 0.000 0.853 179 A CB 0.366 19.311 19.000 -0.092 0.000 1.146 179 A HN 0.614 nan 8.150 nan 0.000 0.518 180 V N 3.512 123.342 119.914 -0.140 0.000 2.588 180 V HA 0.662 4.783 4.120 0.001 0.000 0.304 180 V C -0.091 176.061 176.094 0.097 0.000 1.042 180 V CA -0.404 61.822 62.300 -0.123 0.000 0.877 180 V CB 1.332 32.924 31.823 -0.386 0.000 0.996 180 V HN 1.194 nan 8.190 nan 0.000 0.425 181 V N 0.100 120.074 119.914 0.101 0.000 3.181 181 V HA 0.680 4.801 4.120 0.001 0.000 0.308 181 V C -0.725 175.478 176.094 0.182 0.000 1.214 181 V CA -0.919 61.514 62.300 0.222 0.000 1.053 181 V CB 2.321 34.264 31.823 0.199 0.000 1.069 181 V HN 0.724 nan 8.190 nan 0.000 0.441 182 D N 1.169 121.721 120.400 0.252 0.000 2.341 182 D HA 0.306 4.946 4.640 0.001 0.000 0.245 182 D C -1.382 175.063 176.300 0.241 0.000 1.106 182 D CA 0.348 54.470 54.000 0.203 0.000 0.905 182 D CB 1.814 42.709 40.800 0.158 0.000 1.202 182 D HN 0.586 nan 8.370 nan 0.000 0.426 183 F N 3.036 122.976 119.950 -0.016 0.000 2.451 183 F HA 0.320 4.847 4.527 0.001 0.000 0.367 183 F C -0.162 175.648 175.800 0.017 0.000 1.100 183 F CA -0.900 57.044 58.000 -0.093 0.000 1.171 183 F CB 0.047 38.817 39.000 -0.384 0.000 1.405 183 F HN 0.197 nan 8.300 nan 0.000 0.482 184 I N 7.304 127.853 120.570 -0.035 0.000 2.366 184 I HA -0.036 4.135 4.170 0.001 0.000 0.302 184 I C 0.567 176.639 176.117 -0.075 0.000 1.194 184 I CA -0.030 61.279 61.300 0.015 0.000 1.667 184 I CB -0.475 37.555 38.000 0.049 0.000 1.501 184 I HN 0.478 nan 8.210 nan 0.000 0.776 185 F N 2.407 122.029 119.950 -0.547 0.000 2.765 185 F HA 0.185 4.712 4.527 0.001 0.000 0.302 185 F C 1.422 177.215 175.800 -0.010 0.000 1.111 185 F CA -0.308 57.395 58.000 -0.495 0.000 1.359 185 F CB -0.977 37.507 39.000 -0.860 0.000 1.097 185 F HN 0.341 nan 8.300 nan 0.000 0.577 186 N N 0.271 118.852 118.700 -0.198 0.000 2.392 186 N HA -0.059 4.682 4.740 0.001 0.000 0.177 186 N C -0.382 175.249 175.510 0.201 0.000 1.066 186 N CA 0.548 53.571 53.050 -0.046 0.000 0.895 186 N CB 0.199 38.772 38.487 0.142 0.000 0.988 186 N HN 0.578 nan 8.380 nan 0.000 0.457 187 H N -2.174 117.032 119.070 0.227 0.000 3.003 187 H HA 0.246 4.803 4.556 0.001 0.000 0.327 187 H C -1.177 174.331 175.328 0.300 0.000 1.353 187 H CA -0.685 55.543 56.048 0.300 0.000 1.142 187 H CB 0.981 30.934 29.762 0.319 0.000 1.864 187 H HN -0.015 nan 8.280 nan 0.000 0.529 188 T N -1.486 113.339 114.554 0.452 0.000 2.888 188 T HA 0.518 4.869 4.350 0.001 0.000 0.288 188 T C 0.222 175.061 174.700 0.232 0.000 1.063 188 T CA -0.342 61.906 62.100 0.247 0.000 1.010 188 T CB 1.548 70.481 68.868 0.108 0.000 1.214 188 T HN 0.856 nan 8.240 nan 0.000 0.533 189 S N 0.945 116.708 115.700 0.104 0.000 2.614 189 S HA 0.192 4.663 4.470 0.001 0.000 0.265 189 S C 0.985 175.436 174.600 -0.249 0.000 1.303 189 S CA -0.344 57.882 58.200 0.043 0.000 1.000 189 S CB 0.156 63.371 63.200 0.025 0.000 0.935 189 S HN 0.896 nan 8.310 nan 0.000 0.551 190 N N 0.251 118.660 118.700 -0.486 0.000 2.515 190 N HA -0.027 4.714 4.740 0.001 0.000 0.191 190 N C 0.525 175.658 175.510 -0.629 0.000 1.182 190 N CA 0.404 52.788 53.050 -1.110 0.000 0.879 190 N CB -0.411 37.383 38.487 -1.155 0.000 0.984 190 N HN 0.835 nan 8.380 nan 0.000 0.453 191 E N -0.978 119.022 120.200 -0.333 0.000 2.498 191 E HA 0.004 4.354 4.350 0.001 0.000 0.203 191 E C -0.222 176.259 176.600 -0.197 0.000 1.013 191 E CA -0.315 55.945 56.400 -0.234 0.000 0.927 191 E CB 0.216 29.811 29.700 -0.175 0.000 1.012 191 E HN 0.396 nan 8.360 nan 0.000 0.482 192 H N 1.720 120.618 119.070 -0.286 0.000 2.790 192 H HA -0.025 4.531 4.556 0.001 0.000 0.358 192 H C 1.086 176.264 175.328 -0.250 0.000 1.103 192 H CA 0.921 56.800 56.048 -0.281 0.000 1.426 192 H CB 1.140 30.739 29.762 -0.272 0.000 1.424 192 H HN 0.143 nan 8.280 nan 0.000 0.599 193 E N 3.712 123.802 120.200 -0.183 0.000 2.070 193 E HA -0.212 4.139 4.350 0.001 0.000 0.197 193 E C 1.296 177.899 176.600 0.006 0.000 1.004 193 E CA 1.573 57.912 56.400 -0.101 0.000 0.805 193 E CB -0.046 29.561 29.700 -0.154 0.000 0.744 193 E HN 0.658 nan 8.360 nan 0.000 0.451 194 W N 0.298 121.636 121.300 0.063 0.000 2.338 194 W HA -0.104 4.556 4.660 0.001 0.000 0.304 194 W C 2.512 179.067 176.519 0.059 0.000 1.212 194 W CA 0.925 58.145 57.345 -0.209 0.000 1.264 194 W CB -1.432 28.141 29.460 0.189 0.000 1.142 194 W HN 0.234 nan 8.180 nan 0.000 0.512 195 A N 0.384 123.388 122.820 0.307 0.000 1.877 195 A HA -0.257 4.063 4.320 0.001 0.000 0.216 195 A C 2.033 179.578 177.584 -0.064 0.000 1.186 195 A CA 2.058 54.012 52.037 -0.138 0.000 0.620 195 A CB -0.980 17.645 19.000 -0.625 0.000 0.822 195 A HN 0.413 nan 8.150 nan 0.000 0.443 196 Q N -0.721 119.012 119.800 -0.112 0.000 2.050 196 Q HA -0.178 4.163 4.340 0.001 0.000 0.202 196 Q C 2.372 178.358 176.000 -0.023 0.000 0.980 196 Q CA 1.707 57.463 55.803 -0.077 0.000 0.840 196 Q CB -0.213 28.460 28.738 -0.108 0.000 0.898 196 Q HN 0.625 nan 8.270 nan 0.000 0.424 197 R N -0.137 120.309 120.500 -0.091 0.000 2.092 197 R HA -0.096 4.244 4.340 0.001 0.000 0.231 197 R C 2.574 178.905 176.300 0.051 0.000 1.119 197 R CA 1.147 57.191 56.100 -0.093 0.000 0.970 197 R CB -0.610 29.479 30.300 -0.351 0.000 0.864 197 R HN 0.338 nan 8.270 nan 0.000 0.440 198 C N 0.633 120.017 119.300 0.140 0.000 2.432 198 C HA 0.001 4.461 4.460 0.001 0.000 0.277 198 C C 2.887 178.011 174.990 0.222 0.000 1.249 198 C CA 1.100 60.290 59.018 0.287 0.000 1.725 198 C CB -0.861 27.198 27.740 0.531 0.000 2.028 198 C HN 0.563 nan 8.230 nan 0.000 0.477 199 A N 0.035 122.990 122.820 0.224 0.000 2.015 199 A HA 0.241 4.562 4.320 0.001 0.000 0.219 199 A C 2.304 179.960 177.584 0.120 0.000 1.163 199 A CA 1.749 53.900 52.037 0.191 0.000 0.646 199 A CB -0.895 18.282 19.000 0.294 0.000 0.806 199 A HN 0.907 nan 8.150 nan 0.000 0.448 200 A N -1.713 121.164 122.820 0.095 0.000 2.235 200 A HA 0.396 4.716 4.320 0.001 0.000 0.208 200 A C 1.753 179.375 177.584 0.063 0.000 1.172 200 A CA 1.227 53.302 52.037 0.063 0.000 0.786 200 A CB -0.877 18.145 19.000 0.038 0.000 0.804 200 A HN 1.848 nan 8.150 nan 0.000 0.479 201 G N -0.431 108.418 108.800 0.082 0.000 2.132 201 G HA2 -0.225 3.736 3.960 0.001 0.000 0.234 201 G HA3 -0.225 3.736 3.960 0.001 0.000 0.234 201 G C -0.127 174.818 174.900 0.076 0.000 0.989 201 G CA 0.193 45.338 45.100 0.076 0.000 0.676 201 G HN 0.572 nan 8.290 nan 0.000 0.522 202 D N 1.081 121.538 120.400 0.094 0.000 2.382 202 D HA 0.207 4.848 4.640 0.001 0.000 0.259 202 D C 0.214 176.576 176.300 0.103 0.000 1.224 202 D CA -1.079 52.983 54.000 0.104 0.000 0.894 202 D CB 1.276 42.166 40.800 0.150 0.000 1.127 202 D HN 0.226 nan 8.370 nan 0.000 0.487 203 P HA -0.184 nan 4.420 nan 0.000 0.219 203 P C 1.639 178.905 177.300 -0.055 0.000 1.146 203 P CA 0.323 63.429 63.100 0.010 0.000 0.808 203 P CB 0.368 32.063 31.700 -0.009 0.000 0.779 204 L N -1.414 119.760 121.223 -0.083 0.000 2.265 204 L HA 0.032 4.372 4.340 0.001 0.000 0.215 204 L C 1.328 177.809 176.870 -0.649 0.000 1.117 204 L CA 1.647 56.292 54.840 -0.326 0.000 0.782 204 L CB -1.057 40.838 42.059 -0.273 0.000 0.914 204 L HN -0.210 nan 8.230 nan 0.000 0.441 205 F N -1.000 118.812 119.950 -0.230 0.000 2.791 205 F HA 0.278 4.806 4.527 0.001 0.000 0.308 205 F C 0.471 176.282 175.800 0.019 0.000 1.138 205 F CA -1.265 56.520 58.000 -0.358 0.000 1.294 205 F CB -0.265 38.467 39.000 -0.447 0.000 0.975 205 F HN -0.033 nan 8.300 nan 0.000 0.512 206 D N 0.452 120.938 120.400 0.142 0.000 2.424 206 D HA 0.017 4.657 4.640 0.001 0.000 0.244 206 D C 0.832 177.261 176.300 0.215 0.000 1.134 206 D CA 0.854 54.952 54.000 0.163 0.000 0.881 206 D CB 0.400 41.252 40.800 0.087 0.000 1.191 206 D HN 0.146 nan 8.370 nan 0.000 0.445 207 N N 2.252 121.051 118.700 0.165 0.000 2.747 207 N HA -0.247 4.494 4.740 0.001 0.000 0.249 207 N C -0.287 175.239 175.510 0.026 0.000 1.107 207 N CA 0.388 53.473 53.050 0.058 0.000 0.707 207 N CB -1.448 37.046 38.487 0.011 0.000 1.054 207 N HN 0.392 nan 8.380 nan 0.000 0.555 208 F N -0.957 118.970 119.950 -0.038 0.000 2.664 208 F HA 0.269 4.797 4.527 0.001 0.000 0.296 208 F C 0.566 176.036 175.800 -0.550 0.000 1.125 208 F CA 0.708 58.580 58.000 -0.214 0.000 1.444 208 F CB 0.147 39.147 39.000 -0.001 0.000 1.114 208 F HN 0.146 nan 8.300 nan 0.000 0.576 209 Y N -3.175 117.153 120.300 0.047 0.000 2.805 209 Y HA 0.412 4.963 4.550 0.001 0.000 0.323 209 Y C -1.215 174.535 175.900 -0.250 0.000 1.279 209 Y CA -1.805 56.281 58.100 -0.024 0.000 1.103 209 Y CB 0.487 39.088 38.460 0.236 0.000 1.324 209 Y HN -0.349 nan 8.280 nan 0.000 0.498 210 Y N 1.740 122.148 120.300 0.180 0.000 2.478 210 Y HA 0.562 5.113 4.550 0.001 0.000 0.329 210 Y C -0.614 175.192 175.900 -0.157 0.000 0.967 210 Y CA -0.528 57.579 58.100 0.011 0.000 1.255 210 Y CB 0.434 39.081 38.460 0.312 0.000 1.103 210 Y HN 0.139 nan 8.280 nan 0.000 0.497 211 I N 4.153 124.539 120.570 -0.306 0.000 2.433 211 I HA 0.453 4.624 4.170 0.001 0.000 0.292 211 I C -0.956 174.838 176.117 -0.538 0.000 1.001 211 I CA -0.765 60.370 61.300 -0.276 0.000 1.119 211 I CB 1.482 39.409 38.000 -0.123 0.000 1.289 211 I HN 0.297 nan 8.210 nan 0.000 0.438 212 F N 5.904 125.962 119.950 0.179 0.000 2.546 212 F HA 0.455 4.983 4.527 0.001 0.000 0.320 212 F C -1.551 174.338 175.800 0.148 0.000 1.076 212 F CA -1.842 56.246 58.000 0.146 0.000 0.928 212 F CB 1.110 40.165 39.000 0.091 0.000 1.189 212 F HN 0.285 nan 8.300 nan 0.000 0.465 213 P HA -0.066 nan 4.420 nan 0.000 0.217 213 P C -0.560 176.892 177.300 0.254 0.000 1.151 213 P CA 1.544 64.766 63.100 0.203 0.000 0.828 213 P CB 0.291 32.076 31.700 0.142 0.000 0.788 214 D N -3.153 117.393 120.400 0.243 0.000 3.009 214 D HA 0.229 4.870 4.640 0.001 0.000 0.318 214 D C 0.819 177.025 176.300 -0.157 0.000 1.273 214 D CA -0.741 53.369 54.000 0.182 0.000 1.001 214 D CB 0.051 40.893 40.800 0.071 0.000 1.411 214 D HN -0.398 nan 8.370 nan 0.000 0.577 215 R N -0.320 119.951 120.500 -0.381 0.000 2.313 215 R HA 0.187 4.527 4.340 0.001 0.000 0.199 215 R C 1.804 177.804 176.300 -0.501 0.000 0.958 215 R CA 0.141 55.827 56.100 -0.690 0.000 1.047 215 R CB -0.583 29.322 30.300 -0.658 0.000 0.955 215 R HN 0.502 nan 8.270 nan 0.000 0.481 216 R N 0.571 120.876 120.500 -0.325 0.000 2.097 216 R HA -0.106 4.235 4.340 0.001 0.000 0.236 216 R C 1.972 178.044 176.300 -0.380 0.000 1.135 216 R CA 1.894 57.827 56.100 -0.278 0.000 0.934 216 R CB -0.084 30.116 30.300 -0.166 0.000 0.846 216 R HN 0.096 nan 8.270 nan 0.000 0.431 217 M N -0.676 118.649 119.600 -0.459 0.000 2.193 217 M HA -0.020 4.460 4.480 0.001 0.000 0.265 217 M C -0.953 174.854 176.300 -0.821 0.000 1.071 217 M CA 1.139 56.062 55.300 -0.628 0.000 1.140 217 M CB -0.478 31.744 32.600 -0.630 0.000 1.369 217 M HN 0.110 nan 8.290 nan 0.000 0.423 218 P HA -0.164 nan 4.420 nan 0.000 0.216 218 P C 0.568 177.381 177.300 -0.812 0.000 1.153 218 P CA 1.348 63.513 63.100 -1.558 0.000 0.858 218 P CB -0.107 30.581 31.700 -1.687 0.000 0.789 219 D N -1.034 118.998 120.400 -0.613 0.000 2.117 219 D HA -0.159 4.481 4.640 0.001 0.000 0.197 219 D C 2.102 178.222 176.300 -0.299 0.000 0.987 219 D CA 1.142 54.908 54.000 -0.389 0.000 0.829 219 D CB -0.624 39.976 40.800 -0.333 0.000 0.961 219 D HN 0.252 nan 8.370 nan 0.000 0.460 220 Q N -0.758 118.830 119.800 -0.354 0.000 2.061 220 Q HA -0.183 4.157 4.340 0.001 0.000 0.204 220 Q C 2.087 177.932 176.000 -0.258 0.000 0.984 220 Q CA 1.227 56.840 55.803 -0.318 0.000 0.846 220 Q CB -0.172 28.317 28.738 -0.415 0.000 0.902 220 Q HN 0.377 nan 8.270 nan 0.000 0.421 221 Y N 0.912 121.051 120.300 -0.269 0.000 2.181 221 Y HA -0.216 4.334 4.550 0.001 0.000 0.288 221 Y C 1.925 177.762 175.900 -0.104 0.000 1.146 221 Y CA 1.288 59.290 58.100 -0.163 0.000 1.164 221 Y CB -0.229 38.096 38.460 -0.226 0.000 0.982 221 Y HN 0.132 nan 8.280 nan 0.000 0.515 222 D N -0.450 119.967 120.400 0.029 0.000 2.311 222 D HA -0.123 4.518 4.640 0.001 0.000 0.212 222 D C 2.019 178.310 176.300 -0.016 0.000 0.972 222 D CA 0.740 54.742 54.000 0.002 0.000 0.887 222 D CB -0.201 40.570 40.800 -0.049 0.000 0.915 222 D HN 0.345 nan 8.370 nan 0.000 0.497 223 R N -0.464 120.015 120.500 -0.035 0.000 2.120 223 R HA -0.076 4.264 4.340 0.001 0.000 0.234 223 R C 1.896 178.196 176.300 -0.001 0.000 1.123 223 R CA 1.681 57.761 56.100 -0.033 0.000 0.975 223 R CB -0.163 30.107 30.300 -0.051 0.000 0.866 223 R HN 0.277 nan 8.270 nan 0.000 0.446 224 T N -2.894 111.678 114.554 0.030 0.000 3.003 224 T HA 0.289 4.640 4.350 0.001 0.000 0.261 224 T C 0.641 175.384 174.700 0.072 0.000 1.003 224 T CA -0.337 61.793 62.100 0.051 0.000 0.917 224 T CB 0.249 69.156 68.868 0.065 0.000 1.084 224 T HN -0.091 nan 8.240 nan 0.000 0.522 225 L N 2.222 123.489 121.223 0.075 0.000 2.397 225 L HA 0.455 4.796 4.340 0.001 0.000 0.271 225 L C 0.635 177.535 176.870 0.049 0.000 1.148 225 L CA -0.774 54.112 54.840 0.078 0.000 0.825 225 L CB 0.683 42.768 42.059 0.045 0.000 1.117 225 L HN 0.073 nan 8.230 nan 0.000 0.456 226 R N 1.868 122.407 120.500 0.065 0.000 2.457 226 R HA 0.270 4.610 4.340 0.001 0.000 0.284 226 R C -0.620 175.689 176.300 0.014 0.000 1.024 226 R CA -0.691 55.438 56.100 0.048 0.000 1.025 226 R CB 0.975 31.320 30.300 0.075 0.000 1.063 226 R HN 0.546 nan 8.270 nan 0.000 0.493 227 E N 2.952 123.145 120.200 -0.013 0.000 2.152 227 E HA 0.056 4.406 4.350 0.001 0.000 0.285 227 E C 0.741 177.306 176.600 -0.058 0.000 1.043 227 E CA -0.279 56.084 56.400 -0.061 0.000 0.839 227 E CB 0.840 30.497 29.700 -0.072 0.000 1.069 227 E HN 0.403 nan 8.360 nan 0.000 0.399 228 I N 1.898 122.393 120.570 -0.125 0.000 2.429 228 I HA -0.070 4.101 4.170 0.001 0.000 0.247 228 I C 0.872 177.081 176.117 0.153 0.000 1.099 228 I CA 0.978 62.224 61.300 -0.090 0.000 1.422 228 I CB -0.184 37.545 38.000 -0.450 0.000 1.112 228 I HN 0.445 nan 8.210 nan 0.000 0.430 229 F N 3.326 123.114 119.950 -0.270 0.000 2.530 229 F HA 0.367 4.895 4.527 0.001 0.000 0.318 229 F C -1.368 174.209 175.800 -0.372 0.000 1.356 229 F CA -3.439 54.395 58.000 -0.277 0.000 1.135 229 F CB -0.293 38.591 39.000 -0.194 0.000 1.315 229 F HN -0.019 nan 8.300 nan 0.000 0.549 230 P HA -0.191 nan 4.420 nan 0.000 0.218 230 P C 0.913 178.115 177.300 -0.163 0.000 1.146 230 P CA 1.419 64.412 63.100 -0.178 0.000 0.813 230 P CB 0.540 32.151 31.700 -0.148 0.000 0.778 231 D N -0.478 119.817 120.400 -0.174 0.000 2.219 231 D HA -0.115 4.526 4.640 0.001 0.000 0.205 231 D C 2.037 178.300 176.300 -0.062 0.000 0.970 231 D CA 1.054 54.982 54.000 -0.120 0.000 0.851 231 D CB -0.252 40.455 40.800 -0.155 0.000 0.943 231 D HN 0.178 nan 8.370 nan 0.000 0.488 232 Q N -0.720 119.030 119.800 -0.083 0.000 2.302 232 Q HA 0.097 4.437 4.340 0.001 0.000 0.202 232 Q C -0.089 175.973 176.000 0.103 0.000 0.936 232 Q CA 0.695 56.515 55.803 0.028 0.000 0.886 232 Q CB 0.236 29.039 28.738 0.108 0.000 0.986 232 Q HN 0.561 nan 8.270 nan 0.000 0.487 233 H N -4.357 114.745 119.070 0.053 0.000 3.020 233 H HA 0.396 4.953 4.556 0.001 0.000 0.303 233 H C -3.065 172.280 175.328 0.030 0.000 1.332 233 H CA -1.962 54.120 56.048 0.057 0.000 1.282 233 H CB 0.211 30.020 29.762 0.078 0.000 1.928 233 H HN -0.259 nan 8.280 nan 0.000 0.519 234 P HA 0.378 nan 4.420 nan 0.000 0.279 234 P C 0.819 178.226 177.300 0.178 0.000 1.252 234 P CA 1.105 64.260 63.100 0.092 0.000 0.811 234 P CB 1.177 32.916 31.700 0.066 0.000 1.035 235 G N 1.590 110.430 108.800 0.066 0.000 2.574 235 G HA2 -0.181 3.780 3.960 0.001 0.000 0.282 235 G HA3 -0.181 3.780 3.960 0.001 0.000 0.282 235 G C 0.589 175.518 174.900 0.048 0.000 1.257 235 G CA 0.091 45.221 45.100 0.050 0.000 0.956 235 G HN 0.818 nan 8.290 nan 0.000 0.560 236 G N -1.332 107.373 108.800 -0.158 0.000 3.651 236 G HA2 0.585 4.545 3.960 0.001 0.000 0.279 236 G HA3 0.585 4.545 3.960 0.001 0.000 0.279 236 G C -0.210 174.048 174.900 -1.070 0.000 1.024 236 G CA 0.049 44.808 45.100 -0.568 0.000 0.813 236 G HN 0.525 nan 8.290 nan 0.000 0.518 237 F N 0.129 119.889 119.950 -0.317 0.000 2.577 237 F HA 0.730 5.257 4.527 0.001 0.000 0.318 237 F C 0.189 175.927 175.800 -0.103 0.000 1.065 237 F CA -1.030 56.841 58.000 -0.215 0.000 0.929 237 F CB 2.301 41.230 39.000 -0.118 0.000 1.237 237 F HN -0.173 nan 8.300 nan 0.000 0.468 238 S N 0.371 116.155 115.700 0.141 0.000 2.542 238 S HA 0.442 4.913 4.470 0.001 0.000 0.293 238 S C -1.185 173.353 174.600 -0.104 0.000 1.089 238 S CA -0.844 57.369 58.200 0.023 0.000 0.961 238 S CB 2.067 65.204 63.200 -0.104 0.000 1.062 238 S HN 0.630 nan 8.310 nan 0.000 0.483 239 Q N 2.092 121.558 119.800 -0.557 0.000 2.230 239 Q HA 0.559 4.900 4.340 0.001 0.000 0.253 239 Q C -1.190 174.520 176.000 -0.483 0.000 0.919 239 Q CA -0.585 54.578 55.803 -1.067 0.000 0.908 239 Q CB 0.614 28.284 28.738 -1.780 0.000 1.245 239 Q HN 0.601 nan 8.270 nan 0.000 0.437 240 L N 2.396 123.381 121.223 -0.396 0.000 2.421 240 L HA 0.187 4.527 4.340 0.001 0.000 0.263 240 L C 1.259 178.041 176.870 -0.146 0.000 1.122 240 L CA -0.416 54.327 54.840 -0.162 0.000 0.804 240 L CB 0.647 42.647 42.059 -0.098 0.000 1.150 240 L HN 0.808 nan 8.230 nan 0.000 0.457 241 E N 1.438 121.607 120.200 -0.052 0.000 2.171 241 E HA -0.262 4.089 4.350 0.001 0.000 0.197 241 E C 1.150 177.722 176.600 -0.047 0.000 0.997 241 E CA 1.917 58.292 56.400 -0.041 0.000 0.810 241 E CB -0.058 29.640 29.700 -0.002 0.000 0.738 241 E HN 0.741 nan 8.360 nan 0.000 0.467 242 D N -1.869 118.507 120.400 -0.040 0.000 2.349 242 D HA 0.111 4.751 4.640 0.001 0.000 0.224 242 D C 1.369 177.642 176.300 -0.045 0.000 1.029 242 D CA 0.769 54.753 54.000 -0.027 0.000 0.879 242 D CB 0.099 40.897 40.800 -0.003 0.000 0.906 242 D HN 0.300 nan 8.370 nan 0.000 0.528 243 G N -0.198 108.537 108.800 -0.108 0.000 2.258 243 G HA2 -0.318 3.643 3.960 0.001 0.000 0.233 243 G HA3 -0.318 3.643 3.960 0.001 0.000 0.233 243 G C 0.555 175.348 174.900 -0.179 0.000 1.006 243 G CA -0.079 44.944 45.100 -0.129 0.000 0.620 243 G HN 0.446 nan 8.290 nan 0.000 0.511 244 R N -0.834 119.593 120.500 -0.122 0.000 2.801 244 R HA 0.446 4.786 4.340 0.001 0.000 0.273 244 R C -0.440 175.736 176.300 -0.208 0.000 1.080 244 R CA 0.183 56.265 56.100 -0.030 0.000 1.197 244 R CB 0.313 30.618 30.300 0.009 0.000 1.109 244 R HN 0.268 nan 8.270 nan 0.000 0.535 245 W N 0.104 121.431 121.300 0.046 0.000 2.736 245 W HA 0.506 5.167 4.660 0.001 0.000 0.335 245 W C -0.764 175.829 176.519 0.123 0.000 1.059 245 W CA -0.526 56.859 57.345 0.066 0.000 1.226 245 W CB 1.560 31.052 29.460 0.054 0.000 1.416 245 W HN 0.146 nan 8.180 nan 0.000 0.505 246 V N 3.878 123.929 119.914 0.229 0.000 2.680 246 V HA 0.487 4.608 4.120 0.001 0.000 0.309 246 V C -1.040 175.221 176.094 0.279 0.000 1.052 246 V CA -1.002 61.343 62.300 0.074 0.000 0.908 246 V CB 1.613 33.021 31.823 -0.692 0.000 1.001 246 V HN 0.622 nan 8.190 nan 0.000 0.431 247 W N 5.648 127.061 121.300 0.188 0.000 2.368 247 W HA 0.427 5.088 4.660 0.001 0.000 0.316 247 W C -0.132 176.254 176.519 -0.222 0.000 1.375 247 W CA 0.413 57.648 57.345 -0.183 0.000 1.261 247 W CB 0.868 30.246 29.460 -0.137 0.000 1.298 247 W HN 0.777 nan 8.180 nan 0.000 0.539 248 T N 1.797 116.315 114.554 -0.061 0.000 3.103 248 T HA 0.141 4.492 4.350 0.001 0.000 0.352 248 T C 0.683 175.305 174.700 -0.131 0.000 1.048 248 T CA -0.513 61.569 62.100 -0.029 0.000 1.175 248 T CB 0.915 69.723 68.868 -0.101 0.000 1.029 248 T HN 0.258 nan 8.240 nan 0.000 0.498 249 T N 2.356 116.790 114.554 -0.200 0.000 2.720 249 T HA 0.055 4.406 4.350 0.001 0.000 0.268 249 T C 0.524 174.668 174.700 -0.928 0.000 1.037 249 T CA 1.595 63.312 62.100 -0.638 0.000 1.144 249 T CB -0.314 67.869 68.868 -1.142 0.000 0.864 249 T HN 0.571 nan 8.240 nan 0.000 0.444 250 F N 0.440 120.131 119.950 -0.431 0.000 2.812 250 F HA 0.358 4.886 4.527 0.001 0.000 0.156 250 F C 1.397 177.155 175.800 -0.071 0.000 1.267 250 F CA -0.943 56.690 58.000 -0.612 0.000 0.923 250 F CB -0.501 37.991 39.000 -0.847 0.000 2.108 250 F HN -0.167 nan 8.300 nan 0.000 0.583 251 N N 0.265 119.037 118.700 0.119 0.000 2.399 251 N HA 0.023 4.764 4.740 0.001 0.000 0.250 251 N C 0.807 176.203 175.510 -0.190 0.000 1.272 251 N CA 0.224 53.183 53.050 -0.152 0.000 0.928 251 N CB 1.139 39.025 38.487 -1.002 0.000 1.158 251 N HN 0.216 nan 8.380 nan 0.000 0.463 252 S N 0.266 115.894 115.700 -0.121 0.000 2.447 252 S HA -0.107 4.363 4.470 0.001 0.000 0.233 252 S C 1.247 175.963 174.600 0.193 0.000 1.006 252 S CA 0.928 59.157 58.200 0.048 0.000 0.957 252 S CB -0.277 63.002 63.200 0.131 0.000 0.773 252 S HN 0.610 nan 8.310 nan 0.000 0.507 253 F N 1.015 121.123 119.950 0.264 0.000 2.692 253 F HA 0.463 4.990 4.527 0.001 0.000 0.303 253 F C 0.323 176.208 175.800 0.142 0.000 1.114 253 F CA -0.697 57.402 58.000 0.165 0.000 1.361 253 F CB -0.632 38.426 39.000 0.098 0.000 1.063 253 F HN -0.022 nan 8.300 nan 0.000 0.550 254 Q N 1.085 120.995 119.800 0.182 0.000 2.381 254 Q HA 0.214 4.555 4.340 0.001 0.000 0.263 254 Q C -1.589 174.704 176.000 0.489 0.000 1.030 254 Q CA -0.600 55.374 55.803 0.284 0.000 0.772 254 Q CB 1.023 29.826 28.738 0.108 0.000 1.232 254 Q HN 0.230 nan 8.270 nan 0.000 0.476 255 W N 2.128 123.571 121.300 0.238 0.000 2.335 255 W HA 0.255 4.916 4.660 0.001 0.000 0.307 255 W C -0.343 176.470 176.519 0.489 0.000 1.117 255 W CA -1.444 56.072 57.345 0.286 0.000 1.228 255 W CB 0.509 30.023 29.460 0.090 0.000 1.240 255 W HN 0.481 nan 8.180 nan 0.000 0.468 256 D N 2.564 123.316 120.400 0.588 0.000 2.450 256 D HA 0.099 4.740 4.640 0.001 0.000 0.247 256 D C 0.282 176.847 176.300 0.442 0.000 1.162 256 D CA 0.329 54.589 54.000 0.433 0.000 0.879 256 D CB 0.646 41.509 40.800 0.105 0.000 1.163 256 D HN 0.068 nan 8.370 nan 0.000 0.472 257 L N 2.592 123.950 121.223 0.225 0.000 2.426 257 L HA 0.106 4.446 4.340 0.001 0.000 0.271 257 L C 0.977 177.700 176.870 -0.246 0.000 1.169 257 L CA -0.026 54.701 54.840 -0.189 0.000 0.836 257 L CB 0.374 42.253 42.059 -0.299 0.000 1.112 257 L HN 0.402 nan 8.230 nan 0.000 0.465 258 N N 1.238 119.579 118.700 -0.598 0.000 2.767 258 N HA 0.092 4.833 4.740 0.001 0.000 0.238 258 N C 0.142 175.361 175.510 -0.485 0.000 1.083 258 N CA -0.341 52.256 53.050 -0.755 0.000 0.964 258 N CB 0.308 38.163 38.487 -1.053 0.000 1.252 258 N HN 0.465 nan 8.380 nan 0.000 0.512 259 Y N 0.732 120.983 120.300 -0.081 0.000 2.632 259 Y HA -0.113 4.438 4.550 0.001 0.000 0.301 259 Y C 2.420 178.495 175.900 0.292 0.000 1.172 259 Y CA 0.438 58.623 58.100 0.143 0.000 1.328 259 Y CB 0.090 38.733 38.460 0.305 0.000 1.016 259 Y HN 0.578 nan 8.280 nan 0.000 0.529 260 S N -0.946 114.830 115.700 0.127 0.000 2.555 260 S HA -0.069 4.402 4.470 0.001 0.000 0.230 260 S C 0.677 175.452 174.600 0.292 0.000 0.978 260 S CA 0.086 58.408 58.200 0.202 0.000 0.934 260 S CB -0.331 62.775 63.200 -0.157 0.000 0.766 260 S HN 0.299 nan 8.310 nan 0.000 0.533 261 N N 2.791 121.544 118.700 0.088 0.000 2.485 261 N HA 0.317 5.058 4.740 0.001 0.000 0.243 261 N C -1.698 173.723 175.510 -0.148 0.000 0.987 261 N CA -2.478 50.540 53.050 -0.053 0.000 0.940 261 N CB 1.678 40.049 38.487 -0.193 0.000 1.122 261 N HN 0.003 nan 8.380 nan 0.000 0.509 262 P HA -0.137 nan 4.420 nan 0.000 0.218 262 P C 0.828 177.813 177.300 -0.526 0.000 1.146 262 P CA 1.290 63.852 63.100 -0.898 0.000 0.813 262 P CB 0.017 30.886 31.700 -1.385 0.000 0.778 263 W N -0.334 120.816 121.300 -0.249 0.000 2.465 263 W HA -0.056 4.604 4.660 0.001 0.000 0.268 263 W C 2.345 178.640 176.519 -0.373 0.000 1.242 263 W CA 0.010 57.228 57.345 -0.211 0.000 1.248 263 W CB -0.960 28.419 29.460 -0.136 0.000 1.118 263 W HN -0.223 nan 8.180 nan 0.000 0.587 264 V N -0.062 119.584 119.914 -0.448 0.000 2.453 264 V HA -0.288 3.833 4.120 0.001 0.000 0.247 264 V C 1.838 177.805 176.094 -0.212 0.000 1.048 264 V CA 1.665 63.515 62.300 -0.750 0.000 1.049 264 V CB -0.928 30.316 31.823 -0.965 0.000 0.672 264 V HN 0.192 nan 8.190 nan 0.000 0.457 265 F N 1.015 120.931 119.950 -0.057 0.000 2.102 265 F HA -0.150 4.378 4.527 0.001 0.000 0.298 265 F C 2.652 178.543 175.800 0.151 0.000 1.105 265 F CA 1.854 59.975 58.000 0.202 0.000 1.239 265 F CB -0.281 38.798 39.000 0.132 0.000 0.991 265 F HN -0.093 nan 8.300 nan 0.000 0.474 266 R N 1.160 121.765 120.500 0.176 0.000 2.083 266 R HA -0.189 4.152 4.340 0.001 0.000 0.237 266 R C 2.290 178.656 176.300 0.110 0.000 1.137 266 R CA 1.630 57.817 56.100 0.145 0.000 0.951 266 R CB -1.211 29.218 30.300 0.216 0.000 0.851 266 R HN 0.446 nan 8.270 nan 0.000 0.434 267 A N 0.821 123.689 122.820 0.081 0.000 1.883 267 A HA -0.169 4.152 4.320 0.001 0.000 0.217 267 A C 2.238 179.947 177.584 0.209 0.000 1.186 267 A CA 1.772 53.852 52.037 0.072 0.000 0.624 267 A CB -0.401 18.455 19.000 -0.240 0.000 0.822 267 A HN 0.236 nan 8.150 nan 0.000 0.444 268 M N -0.511 119.212 119.600 0.205 0.000 2.229 268 M HA -0.023 4.457 4.480 0.001 0.000 0.264 268 M C 2.414 178.947 176.300 0.388 0.000 1.063 268 M CA 1.308 56.808 55.300 0.334 0.000 1.114 268 M CB -1.507 31.375 32.600 0.470 0.000 1.387 268 M HN 0.497 nan 8.290 nan 0.000 0.420 269 A N 0.083 123.036 122.820 0.222 0.000 1.969 269 A HA 0.057 4.377 4.320 0.001 0.000 0.218 269 A C 2.413 180.101 177.584 0.175 0.000 1.169 269 A CA 1.731 53.860 52.037 0.154 0.000 0.635 269 A CB -1.250 17.665 19.000 -0.142 0.000 0.810 269 A HN 0.496 nan 8.150 nan 0.000 0.445 270 G N -0.335 108.579 108.800 0.191 0.000 2.402 270 G HA2 -0.156 3.805 3.960 0.001 0.000 0.216 270 G HA3 -0.156 3.805 3.960 0.001 0.000 0.216 270 G C 1.341 176.383 174.900 0.236 0.000 1.162 270 G CA 0.895 46.121 45.100 0.210 0.000 0.777 270 G HN 0.470 nan 8.290 nan 0.000 0.539 271 E N 0.043 120.391 120.200 0.248 0.000 2.150 271 E HA -0.081 4.269 4.350 0.001 0.000 0.193 271 E C 2.299 179.056 176.600 0.262 0.000 0.985 271 E CA 0.539 57.081 56.400 0.237 0.000 0.814 271 E CB -0.403 29.346 29.700 0.080 0.000 0.752 271 E HN 0.528 nan 8.360 nan 0.000 0.466 272 M N 0.356 120.055 119.600 0.165 0.000 2.117 272 M HA -0.133 4.347 4.480 0.001 0.000 0.262 272 M C 2.090 178.402 176.300 0.021 0.000 1.065 272 M CA 1.224 56.456 55.300 -0.113 0.000 1.114 272 M CB 0.000 32.379 32.600 -0.368 0.000 1.361 272 M HN 0.051 nan 8.290 nan 0.000 0.408 273 L N -0.606 120.687 121.223 0.116 0.000 2.093 273 L HA -0.198 4.143 4.340 0.001 0.000 0.208 273 L C 2.402 179.356 176.870 0.141 0.000 1.085 273 L CA 1.097 56.016 54.840 0.132 0.000 0.755 273 L CB -0.751 41.408 42.059 0.166 0.000 0.904 273 L HN 0.344 nan 8.230 nan 0.000 0.435 274 F N 0.806 120.794 119.950 0.065 0.000 2.075 274 F HA -0.236 4.291 4.527 0.001 0.000 0.297 274 F C 2.169 178.006 175.800 0.061 0.000 1.113 274 F CA 1.616 59.654 58.000 0.063 0.000 1.218 274 F CB -0.246 38.794 39.000 0.066 0.000 0.984 274 F HN -0.137 nan 8.300 nan 0.000 0.472 275 L N 0.017 121.246 121.223 0.010 0.000 2.046 275 L HA -0.188 4.153 4.340 0.001 0.000 0.208 275 L C 2.852 179.667 176.870 -0.090 0.000 1.077 275 L CA 1.104 55.906 54.840 -0.064 0.000 0.747 275 L CB -1.339 40.778 42.059 0.096 0.000 0.896 275 L HN 0.286 nan 8.230 nan 0.000 0.432 276 A N 0.474 123.271 122.820 -0.038 0.000 1.873 276 A HA -0.247 4.073 4.320 0.001 0.000 0.218 276 A C 1.914 179.473 177.584 -0.042 0.000 1.193 276 A CA 2.215 54.243 52.037 -0.014 0.000 0.629 276 A CB -0.673 18.343 19.000 0.027 0.000 0.826 276 A HN 0.432 nan 8.150 nan 0.000 0.447 277 N N -0.207 118.445 118.700 -0.079 0.000 2.571 277 N HA 0.047 4.787 4.740 0.001 0.000 0.189 277 N C 1.151 176.570 175.510 -0.152 0.000 1.154 277 N CA 0.448 53.440 53.050 -0.097 0.000 0.907 277 N CB -0.284 38.154 38.487 -0.082 0.000 0.977 277 N HN 0.544 nan 8.380 nan 0.000 0.449 278 L N -1.390 119.712 121.223 -0.202 0.000 2.418 278 L HA 0.150 4.490 4.340 0.001 0.000 0.218 278 L C 1.192 178.002 176.870 -0.099 0.000 1.125 278 L CA 0.472 55.200 54.840 -0.188 0.000 0.835 278 L CB -0.054 41.878 42.059 -0.212 0.000 0.953 278 L HN 0.242 nan 8.230 nan 0.000 0.454 279 G N -0.187 108.582 108.800 -0.051 0.000 2.148 279 G HA2 -0.212 3.748 3.960 0.001 0.000 0.203 279 G HA3 -0.212 3.748 3.960 0.001 0.000 0.203 279 G C 0.159 175.092 174.900 0.055 0.000 0.993 279 G CA -0.206 44.912 45.100 0.029 0.000 0.661 279 G HN 0.026 nan 8.290 nan 0.000 0.518 280 V N 1.428 121.348 119.914 0.011 0.000 2.599 280 V HA 0.155 4.275 4.120 0.001 0.000 0.300 280 V C 1.299 177.424 176.094 0.051 0.000 1.034 280 V CA 0.930 63.246 62.300 0.026 0.000 1.115 280 V CB 1.207 33.047 31.823 0.028 0.000 0.934 280 V HN 0.360 nan 8.190 nan 0.000 0.485 281 D N 3.563 123.996 120.400 0.056 0.000 2.262 281 D HA 0.212 4.853 4.640 0.001 0.000 0.212 281 D C 0.324 176.692 176.300 0.114 0.000 0.964 281 D CA 1.145 55.173 54.000 0.047 0.000 0.875 281 D CB 0.825 41.639 40.800 0.024 0.000 0.996 281 D HN 0.396 nan 8.370 nan 0.000 0.497 282 I N 1.267 121.881 120.570 0.074 0.000 2.569 282 I HA 0.236 4.407 4.170 0.001 0.000 0.290 282 I C -0.935 175.218 176.117 0.060 0.000 1.088 282 I CA -0.580 60.787 61.300 0.112 0.000 1.047 282 I CB 2.981 41.015 38.000 0.058 0.000 1.237 282 I HN -0.289 nan 8.210 nan 0.000 0.421 283 L N 5.623 126.923 121.223 0.128 0.000 2.287 283 L HA 0.504 4.844 4.340 0.001 0.000 0.287 283 L C 0.215 177.088 176.870 0.004 0.000 1.022 283 L CA -0.573 54.296 54.840 0.048 0.000 0.814 283 L CB 1.517 43.556 42.059 -0.034 0.000 1.217 283 L HN 0.531 nan 8.230 nan 0.000 0.420 284 R N 4.646 125.121 120.500 -0.040 0.000 2.242 284 R HA 0.256 4.596 4.340 0.001 0.000 0.334 284 R C -0.562 175.730 176.300 -0.014 0.000 1.071 284 R CA -0.673 55.401 56.100 -0.044 0.000 0.922 284 R CB 0.533 30.740 30.300 -0.156 0.000 1.023 284 R HN 0.486 nan 8.270 nan 0.000 0.458 285 M N 3.956 123.507 119.600 -0.082 0.000 2.455 285 M HA 0.059 4.540 4.480 0.001 0.000 0.331 285 M C -0.427 175.921 176.300 0.079 0.000 1.481 285 M CA -0.256 54.917 55.300 -0.212 0.000 1.362 285 M CB -0.280 32.087 32.600 -0.389 0.000 1.564 285 M HN 0.484 nan 8.290 nan 0.000 0.458 286 D N 3.144 123.658 120.400 0.190 0.000 2.425 286 D HA 0.355 4.995 4.640 0.001 0.000 0.247 286 D C 0.576 177.079 176.300 0.339 0.000 1.147 286 D CA 0.621 54.779 54.000 0.265 0.000 0.879 286 D CB 0.756 41.741 40.800 0.309 0.000 1.179 286 D HN 0.819 nan 8.370 nan 0.000 0.456 287 A N 2.792 125.765 122.820 0.255 0.000 2.596 287 A HA -0.198 4.123 4.320 0.001 0.000 0.300 287 A C 1.663 179.458 177.584 0.351 0.000 1.495 287 A CA 0.977 53.246 52.037 0.387 0.000 0.769 287 A CB -2.225 17.078 19.000 0.506 0.000 1.047 287 A HN 1.060 nan 8.150 nan 0.000 0.436 288 V N -3.027 117.004 119.914 0.194 0.000 2.469 288 V HA -0.084 4.036 4.120 0.001 0.000 0.251 288 V C 2.429 178.488 176.094 -0.058 0.000 1.064 288 V CA 2.550 64.911 62.300 0.100 0.000 1.066 288 V CB -1.490 30.266 31.823 -0.112 0.000 0.667 288 V HN 1.872 nan 8.190 nan 0.000 0.461 289 A N -0.088 122.622 122.820 -0.182 0.000 2.070 289 A HA 0.033 4.354 4.320 0.001 0.000 0.220 289 A C 1.781 179.148 177.584 -0.363 0.000 1.159 289 A CA 1.772 53.648 52.037 -0.270 0.000 0.656 289 A CB -0.835 17.881 19.000 -0.473 0.000 0.800 289 A HN 0.658 nan 8.150 nan 0.000 0.453 290 F N -0.219 119.741 119.950 0.016 0.000 2.727 290 F HA 0.189 4.717 4.527 0.001 0.000 0.302 290 F C 1.702 177.454 175.800 -0.079 0.000 1.097 290 F CA 0.034 58.016 58.000 -0.030 0.000 1.330 290 F CB -0.236 38.750 39.000 -0.023 0.000 1.084 290 F HN 0.304 nan 8.300 nan 0.000 0.578 291 I N -2.597 117.999 120.570 0.044 0.000 3.241 291 I HA -0.110 4.061 4.170 0.001 0.000 0.280 291 I C 0.292 176.520 176.117 0.185 0.000 1.320 291 I CA 0.778 62.083 61.300 0.008 0.000 1.413 291 I CB -0.071 37.733 38.000 -0.326 0.000 1.060 291 I HN 0.176 nan 8.210 nan 0.000 0.500 292 W N 2.887 124.140 121.300 -0.079 0.000 2.998 292 W HA 0.425 5.086 4.660 0.001 0.000 0.335 292 W C -1.235 175.207 176.519 -0.129 0.000 1.110 292 W CA -0.819 56.489 57.345 -0.063 0.000 1.230 292 W CB 2.013 31.440 29.460 -0.055 0.000 1.405 292 W HN -0.180 nan 8.180 nan 0.000 0.493 293 K N 3.743 123.721 120.400 -0.704 0.000 2.267 293 K HA 0.494 4.814 4.320 0.001 0.000 0.246 293 K C -1.010 175.433 176.600 -0.262 0.000 0.954 293 K CA -1.066 54.911 56.287 -0.516 0.000 0.824 293 K CB 2.338 34.222 32.500 -1.028 0.000 1.167 293 K HN 0.400 nan 8.250 nan 0.000 0.431 294 Q N 1.765 121.628 119.800 0.105 0.000 2.380 294 Q HA 0.263 4.604 4.340 0.001 0.000 0.245 294 Q C -1.358 174.845 176.000 0.338 0.000 0.893 294 Q CA -0.441 55.506 55.803 0.240 0.000 0.922 294 Q CB 1.382 30.273 28.738 0.255 0.000 1.432 294 Q HN 0.616 nan 8.270 nan 0.000 0.434 295 M N 3.381 123.200 119.600 0.365 0.000 2.235 295 M HA 0.350 4.831 4.480 0.001 0.000 0.336 295 M C 1.212 177.577 176.300 0.109 0.000 1.146 295 M CA 2.602 57.999 55.300 0.162 0.000 1.018 295 M CB -0.063 32.465 32.600 -0.121 0.000 1.694 295 M HN 1.054 nan 8.290 nan 0.000 0.451 296 G N 2.181 111.028 108.800 0.079 0.000 2.176 296 G HA2 -0.236 3.724 3.960 0.001 0.000 0.253 296 G HA3 -0.236 3.724 3.960 0.001 0.000 0.253 296 G C 0.216 175.166 174.900 0.084 0.000 0.979 296 G CA 0.709 45.842 45.100 0.056 0.000 0.641 296 G HN 1.268 nan 8.290 nan 0.000 0.530 297 T N -2.589 112.044 114.554 0.132 0.000 2.910 297 T HA 0.696 5.046 4.350 0.001 0.000 0.287 297 T C 1.503 176.286 174.700 0.139 0.000 1.050 297 T CA 0.830 63.003 62.100 0.120 0.000 1.011 297 T CB 1.464 70.410 68.868 0.130 0.000 1.195 297 T HN 1.094 nan 8.240 nan 0.000 0.540 298 S N -1.110 114.656 115.700 0.110 0.000 2.607 298 S HA 0.055 4.526 4.470 0.001 0.000 0.224 298 S C 1.151 175.833 174.600 0.137 0.000 0.969 298 S CA 0.132 58.399 58.200 0.111 0.000 0.927 298 S CB -1.569 61.675 63.200 0.074 0.000 0.772 298 S HN 1.115 nan 8.310 nan 0.000 0.533 299 C N 1.436 120.820 119.300 0.141 0.000 4.365 299 C HA -0.111 4.350 4.460 0.001 0.000 0.299 299 C C 0.105 175.121 174.990 0.044 0.000 1.409 299 C CA 0.500 59.591 59.018 0.122 0.000 2.007 299 C CB -2.781 25.070 27.740 0.185 0.000 1.264 299 C HN 0.743 nan 8.230 nan 0.000 0.777 300 E N -0.132 120.062 120.200 -0.011 0.000 2.292 300 E HA 0.371 4.722 4.350 0.001 0.000 0.272 300 E C 0.140 176.713 176.600 -0.045 0.000 0.881 300 E CA -0.799 55.503 56.400 -0.164 0.000 0.754 300 E CB 1.105 30.650 29.700 -0.258 0.000 1.201 300 E HN 0.327 nan 8.360 nan 0.000 0.425 301 N N 1.233 119.920 118.700 -0.020 0.000 2.714 301 N HA -0.201 4.540 4.740 0.001 0.000 0.250 301 N C -0.385 175.153 175.510 0.047 0.000 1.117 301 N CA 0.770 53.859 53.050 0.066 0.000 0.719 301 N CB -1.438 37.125 38.487 0.127 0.000 1.081 301 N HN 0.487 nan 8.380 nan 0.000 0.557 302 L N 0.269 121.520 121.223 0.048 0.000 2.452 302 L HA 0.103 4.444 4.340 0.001 0.000 0.267 302 L C -0.592 176.276 176.870 -0.003 0.000 1.188 302 L CA -1.403 53.477 54.840 0.067 0.000 0.821 302 L CB 0.176 42.353 42.059 0.195 0.000 1.102 302 L HN -0.183 nan 8.230 nan 0.000 0.470 303 P HA -0.232 nan 4.420 nan 0.000 0.216 303 P C 1.073 178.250 177.300 -0.205 0.000 1.157 303 P CA 1.312 64.371 63.100 -0.069 0.000 0.880 303 P CB 0.181 31.809 31.700 -0.119 0.000 0.791 304 Q N -0.998 118.516 119.800 -0.476 0.000 2.291 304 Q HA -0.069 4.272 4.340 0.001 0.000 0.206 304 Q C 2.177 177.914 176.000 -0.440 0.000 0.976 304 Q CA 1.619 56.970 55.803 -0.754 0.000 0.875 304 Q CB -1.075 26.545 28.738 -1.862 0.000 0.927 304 Q HN 0.218 nan 8.270 nan 0.000 0.450 305 A N 0.282 122.960 122.820 -0.236 0.000 1.902 305 A HA -0.214 4.106 4.320 0.001 0.000 0.217 305 A C 1.678 179.192 177.584 -0.116 0.000 1.181 305 A CA 1.417 53.388 52.037 -0.111 0.000 0.623 305 A CB -0.611 18.339 19.000 -0.083 0.000 0.818 305 A HN 0.395 nan 8.150 nan 0.000 0.443 306 H N -0.478 118.561 119.070 -0.051 0.000 2.389 306 H HA 0.005 4.562 4.556 0.001 0.000 0.299 306 H C 2.549 177.848 175.328 -0.047 0.000 1.081 306 H CA 1.356 57.370 56.048 -0.056 0.000 1.345 306 H CB -0.407 29.247 29.762 -0.180 0.000 1.393 306 H HN 0.536 nan 8.280 nan 0.000 0.520 307 A N 1.177 123.978 122.820 -0.032 0.000 1.898 307 A HA -0.093 4.228 4.320 0.001 0.000 0.216 307 A C 2.691 180.217 177.584 -0.097 0.000 1.181 307 A CA 0.875 52.845 52.037 -0.113 0.000 0.620 307 A CB -0.824 18.027 19.000 -0.248 0.000 0.819 307 A HN 0.243 nan 8.150 nan 0.000 0.442 308 L N -0.553 120.613 121.223 -0.096 0.000 2.046 308 L HA -0.187 4.153 4.340 0.001 0.000 0.208 308 L C 2.468 179.503 176.870 0.276 0.000 1.077 308 L CA 1.366 56.199 54.840 -0.012 0.000 0.747 308 L CB -0.493 41.575 42.059 0.015 0.000 0.896 308 L HN 0.379 nan 8.230 nan 0.000 0.432 309 I N -0.708 120.076 120.570 0.356 0.000 2.286 309 I HA -0.269 3.902 4.170 0.001 0.000 0.248 309 I C 2.670 179.035 176.117 0.413 0.000 1.115 309 I CA 1.185 62.778 61.300 0.490 0.000 1.392 309 I CB -0.318 37.911 38.000 0.382 0.000 1.065 309 I HN 0.194 nan 8.210 nan 0.000 0.418 310 R N 0.690 121.332 120.500 0.237 0.000 2.115 310 R HA -0.077 4.263 4.340 0.001 0.000 0.230 310 R C 2.435 178.814 176.300 0.131 0.000 1.111 310 R CA 1.247 57.439 56.100 0.153 0.000 0.976 310 R CB -0.340 29.991 30.300 0.051 0.000 0.870 310 R HN 0.364 nan 8.270 nan 0.000 0.445 311 A N 0.722 123.600 122.820 0.097 0.000 1.873 311 A HA -0.123 4.198 4.320 0.001 0.000 0.215 311 A C 1.906 179.650 177.584 0.267 0.000 1.186 311 A CA 1.029 53.092 52.037 0.044 0.000 0.616 311 A CB -0.653 18.211 19.000 -0.227 0.000 0.823 311 A HN 0.212 nan 8.150 nan 0.000 0.442 312 F N 0.140 120.354 119.950 0.439 0.000 2.126 312 F HA -0.239 4.288 4.527 0.001 0.000 0.299 312 F C 2.291 178.306 175.800 0.358 0.000 1.096 312 F CA 1.653 59.880 58.000 0.378 0.000 1.255 312 F CB -0.435 38.710 39.000 0.242 0.000 0.997 312 F HN 0.382 nan 8.300 nan 0.000 0.479 313 N N 0.353 119.377 118.700 0.539 0.000 2.043 313 N HA -0.230 4.510 4.740 0.001 0.000 0.193 313 N C 1.880 177.368 175.510 -0.037 0.000 1.037 313 N CA 1.508 54.630 53.050 0.120 0.000 0.851 313 N CB -0.278 38.237 38.487 0.047 0.000 1.027 313 N HN 0.189 nan 8.380 nan 0.000 0.422 314 A N -0.050 122.784 122.820 0.024 0.000 1.940 314 A HA -0.101 4.219 4.320 0.001 0.000 0.219 314 A C 2.327 179.908 177.584 -0.006 0.000 1.176 314 A CA 1.525 53.544 52.037 -0.031 0.000 0.631 314 A CB -0.828 18.169 19.000 -0.004 0.000 0.814 314 A HN 0.234 nan 8.150 nan 0.000 0.446 315 V N -0.178 119.798 119.914 0.103 0.000 2.407 315 V HA -0.270 3.850 4.120 0.001 0.000 0.248 315 V C 2.617 178.752 176.094 0.068 0.000 1.055 315 V CA 1.901 64.283 62.300 0.136 0.000 1.049 315 V CB -0.650 31.311 31.823 0.229 0.000 0.662 315 V HN 0.512 nan 8.190 nan 0.000 0.455 316 M N -0.714 118.893 119.600 0.012 0.000 2.200 316 M HA -0.014 4.467 4.480 0.001 0.000 0.265 316 M C 2.278 178.484 176.300 -0.157 0.000 1.066 316 M CA 1.356 56.618 55.300 -0.064 0.000 1.127 316 M CB -1.089 31.406 32.600 -0.175 0.000 1.379 316 M HN 0.259 nan 8.290 nan 0.000 0.420 317 R N 0.267 120.597 120.500 -0.283 0.000 2.152 317 R HA 0.002 4.342 4.340 0.001 0.000 0.232 317 R C 2.007 178.083 176.300 -0.374 0.000 1.117 317 R CA 1.138 56.935 56.100 -0.504 0.000 0.981 317 R CB -0.709 28.986 30.300 -1.009 0.000 0.870 317 R HN 0.443 nan 8.270 nan 0.000 0.451 318 I N -0.629 119.812 120.570 -0.215 0.000 2.628 318 I HA -0.021 4.149 4.170 0.001 0.000 0.255 318 I C 1.856 177.882 176.117 -0.151 0.000 1.119 318 I CA 0.908 62.086 61.300 -0.202 0.000 1.448 318 I CB -0.039 37.862 38.000 -0.164 0.000 1.133 318 I HN -0.008 nan 8.210 nan 0.000 0.438 319 A N 0.131 122.971 122.820 0.032 0.000 2.431 319 A HA 0.719 5.039 4.320 0.001 0.000 0.239 319 A C 0.875 178.599 177.584 0.233 0.000 1.230 319 A CA 0.500 52.658 52.037 0.202 0.000 0.928 319 A CB 0.289 19.494 19.000 0.342 0.000 1.006 319 A HN 0.280 nan 8.150 nan 0.000 0.520 320 A N -0.268 122.616 122.820 0.107 0.000 3.024 320 A HA 0.545 4.865 4.320 0.001 0.000 0.251 320 A C -2.218 175.385 177.584 0.031 0.000 1.267 320 A CA -0.347 51.760 52.037 0.117 0.000 1.050 320 A CB -0.124 18.941 19.000 0.107 0.000 1.400 320 A HN 0.011 nan 8.150 nan 0.000 0.756 321 P HA -0.215 nan 4.420 nan 0.000 0.218 321 P C 1.742 179.077 177.300 0.059 0.000 1.146 321 P CA 2.106 65.191 63.100 -0.026 0.000 0.820 321 P CB 0.312 31.994 31.700 -0.029 0.000 0.778 322 A N -1.055 121.788 122.820 0.039 0.000 2.067 322 A HA -0.033 4.288 4.320 0.001 0.000 0.219 322 A C 1.018 178.667 177.584 0.108 0.000 1.158 322 A CA 0.701 52.738 52.037 -0.001 0.000 0.661 322 A CB -0.999 17.945 19.000 -0.093 0.000 0.801 322 A HN 0.049 nan 8.150 nan 0.000 0.452 323 V N 1.686 121.674 119.914 0.123 0.000 2.405 323 V HA 0.261 4.381 4.120 0.001 0.000 0.264 323 V C -0.337 175.864 176.094 0.177 0.000 1.048 323 V CA -0.092 62.292 62.300 0.141 0.000 0.966 323 V CB -0.421 31.433 31.823 0.051 0.000 1.015 323 V HN 0.288 nan 8.190 nan 0.000 0.477 324 F N 4.401 124.326 119.950 -0.041 0.000 2.450 324 F HA 0.710 5.237 4.527 0.001 0.000 0.328 324 F C -0.010 175.795 175.800 0.007 0.000 1.068 324 F CA -1.325 56.614 58.000 -0.102 0.000 1.007 324 F CB 1.336 40.409 39.000 0.121 0.000 1.251 324 F HN 0.240 nan 8.300 nan 0.000 0.492 325 F N 0.720 120.723 119.950 0.088 0.000 2.480 325 F HA 0.435 4.963 4.527 0.001 0.000 0.329 325 F C -0.060 175.751 175.800 0.018 0.000 1.091 325 F CA -1.704 56.295 58.000 -0.002 0.000 0.972 325 F CB 1.618 40.581 39.000 -0.063 0.000 1.150 325 F HN 0.185 nan 8.300 nan 0.000 0.467 326 K N 1.790 122.307 120.400 0.195 0.000 2.425 326 K HA 0.419 4.740 4.320 0.001 0.000 0.259 326 K C -0.384 176.280 176.600 0.106 0.000 0.978 326 K CA -0.257 56.087 56.287 0.094 0.000 0.883 326 K CB 1.201 33.703 32.500 0.004 0.000 1.110 326 K HN 0.635 nan 8.250 nan 0.000 0.436 327 S N 3.144 118.923 115.700 0.132 0.000 2.531 327 S HA 0.016 4.487 4.470 0.001 0.000 0.279 327 S C -0.334 174.402 174.600 0.227 0.000 1.305 327 S CA -0.347 57.931 58.200 0.129 0.000 1.058 327 S CB 0.800 64.085 63.200 0.141 0.000 0.899 327 S HN 0.730 nan 8.310 nan 0.000 0.493 328 Q N 3.793 123.680 119.800 0.145 0.000 2.721 328 Q HA 0.429 4.770 4.340 0.001 0.000 0.257 328 Q C -1.132 174.869 176.000 0.002 0.000 1.070 328 Q CA -0.490 55.385 55.803 0.119 0.000 0.910 328 Q CB 0.678 29.431 28.738 0.026 0.000 1.163 328 Q HN 0.777 nan 8.270 nan 0.000 0.501 329 A N 5.040 127.859 122.820 -0.002 0.000 2.322 329 A HA 0.419 4.740 4.320 0.001 0.000 0.327 329 A C -0.203 177.423 177.584 0.070 0.000 1.394 329 A CA -0.512 51.475 52.037 -0.083 0.000 0.921 329 A CB 0.188 19.045 19.000 -0.238 0.000 1.153 329 A HN 0.571 nan 8.150 nan 0.000 0.523 330 I N 5.029 125.639 120.570 0.066 0.000 2.257 330 I HA 0.279 4.450 4.170 0.001 0.000 0.290 330 I C 0.237 176.416 176.117 0.103 0.000 1.137 330 I CA 0.094 61.450 61.300 0.092 0.000 1.255 330 I CB -0.709 37.334 38.000 0.071 0.000 1.485 330 I HN 0.444 nan 8.210 nan 0.000 0.534 331 V N 1.409 121.399 119.914 0.125 0.000 3.103 331 V HA 0.517 4.638 4.120 0.001 0.000 0.311 331 V C 0.246 176.446 176.094 0.176 0.000 1.322 331 V CA -1.064 61.320 62.300 0.141 0.000 1.063 331 V CB 1.955 33.869 31.823 0.152 0.000 1.090 331 V HN 0.536 nan 8.190 nan 0.000 0.462 332 H N 1.567 120.693 119.070 0.094 0.000 3.064 332 H HA 0.149 4.706 4.556 0.001 0.000 0.329 332 H C -1.976 173.430 175.328 0.131 0.000 1.020 332 H CA -0.068 56.036 56.048 0.093 0.000 1.402 332 H CB 1.776 31.584 29.762 0.076 0.000 1.379 332 H HN 0.430 nan 8.280 nan 0.000 0.594 333 P HA -0.183 nan 4.420 nan 0.000 0.217 333 P C 1.003 178.490 177.300 0.312 0.000 1.151 333 P CA 1.584 64.779 63.100 0.158 0.000 0.849 333 P CB 0.323 32.041 31.700 0.030 0.000 0.787 334 D N -1.399 119.301 120.400 0.501 0.000 2.178 334 D HA -0.143 4.498 4.640 0.001 0.000 0.201 334 D C 1.982 178.405 176.300 0.206 0.000 0.980 334 D CA 1.035 55.209 54.000 0.291 0.000 0.842 334 D CB -0.302 40.607 40.800 0.180 0.000 0.948 334 D HN 0.239 nan 8.370 nan 0.000 0.472 335 Q N 0.086 120.041 119.800 0.258 0.000 2.250 335 Q HA 0.025 4.366 4.340 0.001 0.000 0.200 335 Q C 2.549 178.755 176.000 0.344 0.000 0.941 335 Q CA 0.163 56.106 55.803 0.234 0.000 0.872 335 Q CB -0.387 28.501 28.738 0.249 0.000 0.965 335 Q HN 0.198 nan 8.270 nan 0.000 0.480 336 V N 0.796 120.933 119.914 0.372 0.000 2.255 336 V HA -0.206 3.914 4.120 0.001 0.000 0.247 336 V C 2.342 178.694 176.094 0.430 0.000 1.051 336 V CA 1.856 64.423 62.300 0.445 0.000 1.018 336 V CB -0.815 31.259 31.823 0.418 0.000 0.641 336 V HN 0.188 nan 8.190 nan 0.000 0.445 337 V N -0.520 119.585 119.914 0.319 0.000 2.720 337 V HA -0.285 3.836 4.120 0.001 0.000 0.256 337 V C 2.337 178.461 176.094 0.050 0.000 1.082 337 V CA 2.047 64.438 62.300 0.152 0.000 1.101 337 V CB -0.393 31.511 31.823 0.136 0.000 0.693 337 V HN 0.664 nan 8.190 nan 0.000 0.479 338 Q N -1.399 118.418 119.800 0.027 0.000 2.364 338 Q HA -0.154 4.187 4.340 0.001 0.000 0.207 338 Q C 1.664 177.543 176.000 -0.202 0.000 0.970 338 Q CA 1.647 57.332 55.803 -0.197 0.000 0.888 338 Q CB -0.082 28.420 28.738 -0.394 0.000 0.951 338 Q HN 0.839 nan 8.270 nan 0.000 0.469 339 Y N -0.339 120.061 120.300 0.167 0.000 2.523 339 Y HA 0.117 4.667 4.550 0.001 0.000 0.279 339 Y C 0.630 176.585 175.900 0.091 0.000 1.139 339 Y CA 0.024 58.257 58.100 0.221 0.000 1.296 339 Y CB 0.560 39.150 38.460 0.217 0.000 1.045 339 Y HN -0.021 nan 8.280 nan 0.000 0.538 340 I N 0.836 121.476 120.570 0.118 0.000 2.312 340 I HA 0.504 4.675 4.170 0.001 0.000 0.291 340 I C 0.545 176.623 176.117 -0.065 0.000 1.031 340 I CA -0.085 61.204 61.300 -0.019 0.000 1.293 340 I CB 0.557 38.438 38.000 -0.198 0.000 1.403 340 I HN 0.114 nan 8.210 nan 0.000 0.484 341 G N 4.010 112.782 108.800 -0.047 0.000 2.616 341 G HA2 0.136 4.097 3.960 0.001 0.000 0.294 341 G HA3 0.136 4.097 3.960 0.001 0.000 0.294 341 G C -0.301 174.561 174.900 -0.064 0.000 1.489 341 G CA -0.507 44.557 45.100 -0.060 0.000 0.836 341 G HN 0.566 nan 8.290 nan 0.000 0.527 342 Q N -0.453 119.310 119.800 -0.061 0.000 2.181 342 Q HA -0.128 4.212 4.340 0.001 0.000 0.205 342 Q C 0.916 176.829 176.000 -0.145 0.000 0.980 342 Q CA 2.045 57.790 55.803 -0.096 0.000 0.862 342 Q CB 0.107 28.827 28.738 -0.030 0.000 0.905 342 Q HN 0.503 nan 8.270 nan 0.000 0.429 343 D N -0.508 119.840 120.400 -0.087 0.000 2.339 343 D HA 0.041 4.681 4.640 0.001 0.000 0.217 343 D C 0.532 176.817 176.300 -0.026 0.000 1.050 343 D CA 0.267 54.221 54.000 -0.077 0.000 0.856 343 D CB 0.506 41.278 40.800 -0.048 0.000 0.922 343 D HN 0.415 nan 8.370 nan 0.000 0.518 344 E N -1.011 119.192 120.200 0.005 0.000 3.419 344 E HA 0.202 4.552 4.350 0.001 0.000 0.273 344 E C -0.523 176.185 176.600 0.180 0.000 0.962 344 E CA -0.335 56.141 56.400 0.126 0.000 1.015 344 E CB 0.962 30.745 29.700 0.139 0.000 2.979 344 E HN -0.084 nan 8.360 nan 0.000 0.568 345 C N 2.316 121.723 119.300 0.179 0.000 2.251 345 C HA 0.288 4.749 4.460 0.001 0.000 0.323 345 C C 0.883 175.900 174.990 0.045 0.000 1.241 345 C CA -0.534 58.598 59.018 0.191 0.000 1.601 345 C CB 0.476 28.352 27.740 0.228 0.000 2.251 345 C HN 0.598 nan 8.230 nan 0.000 0.488 346 Q N 2.091 121.871 119.800 -0.033 0.000 2.170 346 Q HA -0.010 4.331 4.340 0.001 0.000 0.203 346 Q C 0.666 176.648 176.000 -0.030 0.000 0.976 346 Q CA 1.195 56.961 55.803 -0.063 0.000 0.858 346 Q CB -0.023 28.657 28.738 -0.098 0.000 0.907 346 Q HN 0.910 nan 8.270 nan 0.000 0.433 347 I N -4.913 115.661 120.570 0.007 0.000 2.969 347 I HA 0.865 5.036 4.170 0.001 0.000 0.307 347 I C -0.404 175.714 176.117 0.002 0.000 1.149 347 I CA -1.376 59.900 61.300 -0.041 0.000 1.008 347 I CB 2.368 40.336 38.000 -0.053 0.000 1.232 347 I HN -0.080 nan 8.210 nan 0.000 0.435 348 G N 2.004 110.810 108.800 0.010 0.000 2.720 348 G HA2 0.510 4.471 3.960 0.001 0.000 0.295 348 G HA3 0.510 4.471 3.960 0.001 0.000 0.295 348 G C -1.876 173.186 174.900 0.270 0.000 1.437 348 G CA -0.674 44.507 45.100 0.134 0.000 0.886 348 G HN 0.593 nan 8.290 nan 0.000 0.509 349 Y N 0.641 121.073 120.300 0.219 0.000 2.683 349 Y HA 0.142 4.693 4.550 0.001 0.000 0.340 349 Y C 1.131 177.292 175.900 0.436 0.000 1.245 349 Y CA 0.600 58.836 58.100 0.226 0.000 1.485 349 Y CB 0.887 39.364 38.460 0.027 0.000 1.328 349 Y HN 0.464 nan 8.280 nan 0.000 0.603 350 N N 4.783 123.811 118.700 0.547 0.000 3.112 350 N HA 0.199 4.940 4.740 0.001 0.000 0.270 350 N C -2.121 173.451 175.510 0.102 0.000 1.385 350 N CA -2.389 50.676 53.050 0.025 0.000 0.986 350 N CB 0.480 38.737 38.487 -0.384 0.000 1.261 350 N HN 0.290 nan 8.380 nan 0.000 0.495 351 P HA -0.156 nan 4.420 nan 0.000 0.220 351 P C 1.518 178.808 177.300 -0.017 0.000 1.148 351 P CA 0.407 63.586 63.100 0.131 0.000 0.803 351 P CB 0.665 32.473 31.700 0.180 0.000 0.782 352 L N 0.528 121.715 121.223 -0.060 0.000 2.005 352 L HA -0.130 4.211 4.340 0.001 0.000 0.207 352 L C 2.804 179.620 176.870 -0.089 0.000 1.072 352 L CA 1.946 56.757 54.840 -0.049 0.000 0.744 352 L CB -1.659 40.350 42.059 -0.082 0.000 0.895 352 L HN -0.094 nan 8.230 nan 0.000 0.433 353 Q N -1.270 118.408 119.800 -0.203 0.000 2.084 353 Q HA -0.249 4.092 4.340 0.001 0.000 0.202 353 Q C 2.271 178.169 176.000 -0.171 0.000 0.978 353 Q CA 2.024 57.712 55.803 -0.192 0.000 0.844 353 Q CB -0.233 28.357 28.738 -0.248 0.000 0.898 353 Q HN 0.551 nan 8.270 nan 0.000 0.426 354 M N 0.402 119.852 119.600 -0.251 0.000 2.065 354 M HA -0.170 4.310 4.480 0.001 0.000 0.259 354 M C 2.047 178.308 176.300 -0.064 0.000 1.069 354 M CA 2.188 57.291 55.300 -0.327 0.000 1.110 354 M CB -0.924 31.189 32.600 -0.811 0.000 1.328 354 M HN 0.311 nan 8.290 nan 0.000 0.405 355 A N 0.486 123.309 122.820 0.004 0.000 1.933 355 A HA -0.142 4.179 4.320 0.001 0.000 0.218 355 A C 2.184 179.973 177.584 0.341 0.000 1.175 355 A CA 1.482 53.651 52.037 0.220 0.000 0.628 355 A CB -0.945 18.206 19.000 0.251 0.000 0.814 355 A HN 0.625 nan 8.150 nan 0.000 0.444 356 L N -0.651 120.668 121.223 0.160 0.000 2.291 356 L HA -0.080 4.261 4.340 0.001 0.000 0.214 356 L C 2.397 179.276 176.870 0.015 0.000 1.120 356 L CA 0.372 55.263 54.840 0.085 0.000 0.799 356 L CB -0.449 41.606 42.059 -0.007 0.000 0.925 356 L HN 0.388 nan 8.230 nan 0.000 0.446 357 L N -1.415 119.790 121.223 -0.029 0.000 2.017 357 L HA -0.206 4.134 4.340 0.001 0.000 0.208 357 L C 2.418 179.259 176.870 -0.048 0.000 1.073 357 L CA 1.825 56.599 54.840 -0.110 0.000 0.745 357 L CB -0.515 41.373 42.059 -0.286 0.000 0.894 357 L HN 0.332 nan 8.230 nan 0.000 0.432 358 W N 0.247 121.639 121.300 0.153 0.000 2.388 358 W HA -0.187 4.474 4.660 0.001 0.000 0.294 358 W C 2.531 179.266 176.519 0.359 0.000 1.212 358 W CA 1.228 58.719 57.345 0.243 0.000 1.271 358 W CB -0.519 28.955 29.460 0.024 0.000 1.126 358 W HN 0.266 nan 8.180 nan 0.000 0.535 359 N N -0.168 118.795 118.700 0.437 0.000 2.069 359 N HA -0.191 4.550 4.740 0.001 0.000 0.191 359 N C 1.483 177.066 175.510 0.122 0.000 1.031 359 N CA 2.737 55.906 53.050 0.198 0.000 0.852 359 N CB -0.569 37.992 38.487 0.122 0.000 1.018 359 N HN -0.086 nan 8.380 nan 0.000 0.423 360 T N 0.605 115.186 114.554 0.045 0.000 2.788 360 T HA -0.046 4.305 4.350 0.001 0.000 0.268 360 T C 1.841 176.651 174.700 0.184 0.000 1.044 360 T CA 0.871 62.919 62.100 -0.087 0.000 1.139 360 T CB -0.259 68.228 68.868 -0.635 0.000 0.867 360 T HN 0.190 nan 8.240 nan 0.000 0.454 361 L N 0.514 121.977 121.223 0.400 0.000 2.083 361 L HA -0.091 4.249 4.340 0.001 0.000 0.209 361 L C 2.990 180.102 176.870 0.404 0.000 1.083 361 L CA 1.208 56.389 54.840 0.567 0.000 0.752 361 L CB -0.593 41.861 42.059 0.657 0.000 0.899 361 L HN 0.280 nan 8.230 nan 0.000 0.433 362 A N -0.145 122.716 122.820 0.067 0.000 1.872 362 A HA -0.176 4.145 4.320 0.001 0.000 0.214 362 A C 2.360 179.734 177.584 -0.350 0.000 1.187 362 A CA 2.014 53.604 52.037 -0.746 0.000 0.614 362 A CB -0.770 17.469 19.000 -1.268 0.000 0.826 362 A HN 0.486 nan 8.150 nan 0.000 0.442 363 T N -5.441 109.069 114.554 -0.074 0.000 3.054 363 T HA 0.149 4.500 4.350 0.001 0.000 0.259 363 T C 1.019 175.762 174.700 0.072 0.000 1.092 363 T CA 0.879 62.972 62.100 -0.012 0.000 1.121 363 T CB -0.007 68.873 68.868 0.021 0.000 0.912 363 T HN 0.378 nan 8.240 nan 0.000 0.489 364 R N 0.575 121.160 120.500 0.142 0.000 3.954 364 R HA -0.116 4.225 4.340 0.001 0.000 0.422 364 R C -0.736 175.731 176.300 0.278 0.000 1.091 364 R CA 1.278 57.525 56.100 0.245 0.000 1.168 364 R CB -2.283 28.145 30.300 0.213 0.000 1.752 364 R HN 0.687 nan 8.270 nan 0.000 0.547 365 E N -0.260 120.001 120.200 0.102 0.000 2.158 365 E HA 0.293 4.643 4.350 0.001 0.000 0.271 365 E C 0.853 177.401 176.600 -0.088 0.000 0.911 365 E CA 0.078 56.478 56.400 -0.001 0.000 0.767 365 E CB 1.650 31.323 29.700 -0.046 0.000 1.120 365 E HN 0.109 nan 8.360 nan 0.000 0.405 366 V N 0.612 120.465 119.914 -0.102 0.000 3.623 366 V HA -0.125 3.996 4.120 0.001 0.000 0.271 366 V C 1.266 177.319 176.094 -0.070 0.000 1.248 366 V CA 0.679 62.894 62.300 -0.142 0.000 1.156 366 V CB -1.033 30.742 31.823 -0.079 0.000 0.870 366 V HN 0.583 nan 8.190 nan 0.000 0.453 367 N N 2.648 121.304 118.700 -0.073 0.000 2.036 367 N HA -0.302 4.439 4.740 0.001 0.000 0.199 367 N C 1.541 177.042 175.510 -0.016 0.000 1.036 367 N CA 2.692 55.718 53.050 -0.040 0.000 0.870 367 N CB -1.153 37.289 38.487 -0.075 0.000 1.055 367 N HN 0.524 nan 8.380 nan 0.000 0.436 368 L N -1.175 119.991 121.223 -0.094 0.000 2.046 368 L HA -0.066 4.274 4.340 0.001 0.000 0.208 368 L C 2.480 179.310 176.870 -0.068 0.000 1.077 368 L CA 0.826 55.597 54.840 -0.114 0.000 0.747 368 L CB -0.511 41.406 42.059 -0.236 0.000 0.896 368 L HN 0.192 nan 8.230 nan 0.000 0.432 369 L N -0.441 120.731 121.223 -0.085 0.000 2.017 369 L HA -0.258 4.082 4.340 0.001 0.000 0.208 369 L C 2.573 179.420 176.870 -0.039 0.000 1.073 369 L CA 1.989 56.776 54.840 -0.087 0.000 0.745 369 L CB -0.710 41.249 42.059 -0.165 0.000 0.894 369 L HN 0.262 nan 8.230 nan 0.000 0.432 370 H N -0.802 118.229 119.070 -0.064 0.000 2.319 370 H HA -0.225 4.332 4.556 0.001 0.000 0.299 370 H C 2.325 177.639 175.328 -0.023 0.000 1.092 370 H CA 2.328 58.359 56.048 -0.028 0.000 1.302 370 H CB -0.087 29.669 29.762 -0.011 0.000 1.373 370 H HN 0.569 nan 8.280 nan 0.000 0.497 371 Q N -0.157 119.670 119.800 0.044 0.000 2.061 371 Q HA -0.204 4.137 4.340 0.001 0.000 0.204 371 Q C 2.394 178.431 176.000 0.062 0.000 0.984 371 Q CA 1.672 57.533 55.803 0.097 0.000 0.846 371 Q CB -0.332 28.480 28.738 0.123 0.000 0.902 371 Q HN 0.616 nan 8.270 nan 0.000 0.421 372 A N 0.683 123.505 122.820 0.002 0.000 1.877 372 A HA -0.147 4.174 4.320 0.001 0.000 0.216 372 A C 2.048 179.606 177.584 -0.044 0.000 1.186 372 A CA 1.247 53.285 52.037 0.001 0.000 0.620 372 A CB -0.710 18.271 19.000 -0.032 0.000 0.822 372 A HN 0.461 nan 8.150 nan 0.000 0.443 373 L N -0.712 120.426 121.223 -0.141 0.000 2.201 373 L HA -0.129 4.212 4.340 0.001 0.000 0.212 373 L C 2.613 179.344 176.870 -0.231 0.000 1.105 373 L CA 1.575 56.293 54.840 -0.204 0.000 0.775 373 L CB -0.739 41.143 42.059 -0.295 0.000 0.913 373 L HN 0.358 nan 8.230 nan 0.000 0.440 374 T N -1.617 112.718 114.554 -0.365 0.000 2.851 374 T HA -0.104 4.246 4.350 0.001 0.000 0.262 374 T C 1.317 175.708 174.700 -0.515 0.000 1.043 374 T CA 1.275 63.042 62.100 -0.556 0.000 1.140 374 T CB -0.107 68.207 68.868 -0.923 0.000 0.872 374 T HN 0.247 nan 8.240 nan 0.000 0.446 375 Y N 0.239 120.504 120.300 -0.059 0.000 2.442 375 Y HA 0.405 4.955 4.550 0.001 0.000 0.250 375 Y C 1.888 177.810 175.900 0.037 0.000 1.113 375 Y CA -0.226 57.864 58.100 -0.016 0.000 1.273 375 Y CB 0.412 38.848 38.460 -0.040 0.000 1.138 375 Y HN -0.051 nan 8.280 nan 0.000 0.522 376 R N -1.589 119.023 120.500 0.187 0.000 2.600 376 R HA 0.132 4.473 4.340 0.001 0.000 0.392 376 R C 0.576 177.047 176.300 0.284 0.000 1.032 376 R CA 0.094 56.321 56.100 0.212 0.000 1.139 376 R CB 0.114 30.519 30.300 0.174 0.000 1.400 376 R HN 0.274 nan 8.270 nan 0.000 0.566 377 H N 0.410 119.571 119.070 0.152 0.000 2.388 377 H HA 0.208 4.764 4.556 0.001 0.000 0.304 377 H C 0.294 175.838 175.328 0.359 0.000 1.049 377 H CA 0.551 56.749 56.048 0.249 0.000 1.371 377 H CB 0.460 30.242 29.762 0.033 0.000 1.436 377 H HN -0.077 nan 8.280 nan 0.000 0.544 378 N N 1.568 120.381 118.700 0.188 0.000 2.454 378 N HA 0.077 4.818 4.740 0.001 0.000 0.260 378 N C -0.714 174.776 175.510 -0.033 0.000 1.218 378 N CA 0.424 53.510 53.050 0.059 0.000 0.904 378 N CB 0.807 39.332 38.487 0.062 0.000 1.065 378 N HN 0.304 nan 8.380 nan 0.000 0.462 379 L N 2.435 123.569 121.223 -0.147 0.000 2.286 379 L HA 0.571 4.912 4.340 0.001 0.000 0.265 379 L C -1.989 174.776 176.870 -0.176 0.000 1.012 379 L CA -2.051 52.649 54.840 -0.233 0.000 0.818 379 L CB 1.468 43.255 42.059 -0.454 0.000 1.337 379 L HN 0.265 nan 8.230 nan 0.000 0.438 380 P HA 0.036 nan 4.420 nan 0.000 0.270 380 P C -0.870 176.329 177.300 -0.169 0.000 1.223 380 P CA -0.372 62.643 63.100 -0.142 0.000 0.785 380 P CB 0.326 31.953 31.700 -0.122 0.000 0.923 381 E N 1.434 121.513 120.200 -0.202 0.000 2.436 381 E HA -0.071 4.280 4.350 0.001 0.000 0.262 381 E C 0.533 176.944 176.600 -0.316 0.000 1.063 381 E CA 0.482 56.663 56.400 -0.365 0.000 0.944 381 E CB -0.189 29.177 29.700 -0.557 0.000 0.950 381 E HN 0.549 nan 8.360 nan 0.000 0.444 382 H N -1.916 117.125 119.070 -0.048 0.000 2.958 382 H HA -0.155 4.401 4.556 0.001 0.000 0.274 382 H C 0.264 175.555 175.328 -0.062 0.000 1.184 382 H CA 1.283 57.312 56.048 -0.032 0.000 1.143 382 H CB -2.344 27.411 29.762 -0.011 0.000 1.297 382 H HN 0.561 nan 8.280 nan 0.000 0.356 383 T N -2.835 111.688 114.554 -0.051 0.000 2.883 383 T HA 0.930 5.281 4.350 0.001 0.000 0.296 383 T C -0.295 174.291 174.700 -0.190 0.000 1.117 383 T CA -0.292 61.736 62.100 -0.120 0.000 1.006 383 T CB 3.406 72.167 68.868 -0.179 0.000 1.191 383 T HN 0.820 nan 8.240 nan 0.000 0.508 384 A N 0.144 122.824 122.820 -0.232 0.000 2.612 384 A HA 0.666 4.986 4.320 0.001 0.000 0.293 384 A C -1.863 175.582 177.584 -0.232 0.000 1.075 384 A CA -1.252 50.643 52.037 -0.237 0.000 0.680 384 A CB 0.759 19.671 19.000 -0.147 0.000 1.279 384 A HN 0.850 nan 8.150 nan 0.000 0.411 385 W N 0.268 121.501 121.300 -0.113 0.000 2.283 385 W HA 0.529 5.189 4.660 0.001 0.000 0.341 385 W C -0.097 176.365 176.519 -0.094 0.000 1.206 385 W CA -0.437 56.859 57.345 -0.081 0.000 1.294 385 W CB 1.476 30.891 29.460 -0.075 0.000 1.154 385 W HN 0.411 nan 8.180 nan 0.000 0.613 386 V N 4.110 124.160 119.914 0.226 0.000 2.313 386 V HA 0.189 4.310 4.120 0.001 0.000 0.278 386 V C -0.372 175.815 176.094 0.155 0.000 1.017 386 V CA -1.017 61.277 62.300 -0.011 0.000 0.823 386 V CB 0.265 31.879 31.823 -0.348 0.000 1.010 386 V HN 0.416 nan 8.190 nan 0.000 0.443 387 N N 5.056 123.853 118.700 0.162 0.000 2.455 387 N HA 0.519 5.259 4.740 0.001 0.000 0.280 387 N C -0.835 174.856 175.510 0.303 0.000 1.055 387 N CA -0.197 52.980 53.050 0.212 0.000 0.961 387 N CB 1.792 40.344 38.487 0.108 0.000 1.121 387 N HN 0.692 nan 8.380 nan 0.000 0.476 388 Y N -1.958 118.376 120.300 0.058 0.000 2.609 388 Y HA 0.570 5.121 4.550 0.001 0.000 0.342 388 Y C 0.097 175.989 175.900 -0.014 0.000 1.058 388 Y CA -1.160 56.989 58.100 0.082 0.000 1.055 388 Y CB 0.301 38.885 38.460 0.206 0.000 1.292 388 Y HN 0.060 nan 8.280 nan 0.000 0.476 389 V N 0.279 120.151 119.914 -0.069 0.000 2.908 389 V HA 0.394 4.514 4.120 0.001 0.000 0.240 389 V C 0.430 176.591 176.094 0.111 0.000 1.117 389 V CA 0.570 62.740 62.300 -0.218 0.000 1.133 389 V CB -0.085 31.314 31.823 -0.707 0.000 0.857 389 V HN 0.732 nan 8.190 nan 0.000 0.478 390 R N -0.322 120.294 120.500 0.193 0.000 2.781 390 R HA 0.708 5.049 4.340 0.001 0.000 0.269 390 R C -0.723 175.650 176.300 0.122 0.000 1.025 390 R CA 0.265 56.407 56.100 0.070 0.000 0.914 390 R CB 2.054 32.317 30.300 -0.062 0.000 1.236 390 R HN 0.411 nan 8.270 nan 0.000 0.465 391 S N -1.121 114.434 115.700 -0.241 0.000 2.843 391 S HA 0.270 4.741 4.470 0.001 0.000 0.301 391 S C 0.701 174.993 174.600 -0.513 0.000 1.206 391 S CA -0.586 57.518 58.200 -0.161 0.000 0.875 391 S CB 0.820 64.038 63.200 0.031 0.000 1.248 391 S HN 0.793 nan 8.310 nan 0.000 0.555 392 H N -0.002 119.021 119.070 -0.078 0.000 2.547 392 H HA 0.284 4.840 4.556 0.001 0.000 0.272 392 H C -0.525 174.833 175.328 0.049 0.000 0.989 392 H CA 0.486 56.611 56.048 0.129 0.000 1.214 392 H CB -0.507 29.432 29.762 0.295 0.000 1.389 392 H HN 0.425 nan 8.280 nan 0.000 0.577 393 D N 2.135 122.121 120.400 -0.690 0.000 2.437 393 D HA 0.053 4.693 4.640 0.001 0.000 0.259 393 D C 0.408 176.400 176.300 -0.513 0.000 1.118 393 D CA -0.414 53.225 54.000 -0.601 0.000 1.017 393 D CB 1.272 41.683 40.800 -0.649 0.000 1.120 393 D HN 0.376 nan 8.370 nan 0.000 0.541 394 D N -0.262 119.850 120.400 -0.479 0.000 2.363 394 D HA 0.075 4.715 4.640 0.001 0.000 0.240 394 D C 0.185 176.226 176.300 -0.431 0.000 1.236 394 D CA -0.107 53.629 54.000 -0.440 0.000 0.927 394 D CB 0.963 41.543 40.800 -0.366 0.000 1.150 394 D HN 0.248 nan 8.370 nan 0.000 0.458 395 I N 0.110 120.369 120.570 -0.518 0.000 2.315 395 I HA 0.327 4.498 4.170 0.001 0.000 0.291 395 I C 0.839 176.509 176.117 -0.744 0.000 1.006 395 I CA -0.570 60.325 61.300 -0.675 0.000 1.265 395 I CB 1.526 38.931 38.000 -0.991 0.000 1.387 395 I HN 0.384 nan 8.210 nan 0.000 0.475 396 G N 5.061 113.527 108.800 -0.556 0.000 2.379 396 G HA2 0.354 4.315 3.960 0.001 0.000 0.327 396 G HA3 0.354 4.315 3.960 0.001 0.000 0.327 396 G C -1.124 173.499 174.900 -0.461 0.000 1.145 396 G CA -0.518 44.316 45.100 -0.443 0.000 0.905 396 G HN 0.668 nan 8.290 nan 0.000 0.466 397 W N 2.577 123.881 121.300 0.007 0.000 1.564 397 W HA 0.272 4.933 4.660 0.001 0.000 0.480 397 W C 0.584 177.083 176.519 -0.033 0.000 0.699 397 W CA -0.667 56.709 57.345 0.052 0.000 1.985 397 W CB 0.088 29.607 29.460 0.098 0.000 1.738 397 W HN 0.231 nan 8.180 nan 0.000 0.218 398 T N 3.829 118.482 114.554 0.165 0.000 2.834 398 T HA 0.355 4.706 4.350 0.001 0.000 0.298 398 T C -0.578 174.250 174.700 0.213 0.000 0.966 398 T CA 0.364 62.509 62.100 0.075 0.000 1.141 398 T CB -0.075 68.832 68.868 0.066 0.000 0.905 398 T HN 0.235 nan 8.240 nan 0.000 0.535 399 F N -0.134 119.827 119.950 0.017 0.000 2.780 399 F HA 0.568 5.095 4.527 0.001 0.000 0.320 399 F C -1.045 174.683 175.800 -0.120 0.000 1.118 399 F CA -1.904 56.076 58.000 -0.033 0.000 0.964 399 F CB 0.174 39.200 39.000 0.043 0.000 1.249 399 F HN 0.582 nan 8.300 nan 0.000 0.455 400 A N 2.243 125.111 122.820 0.080 0.000 2.404 400 A HA 0.405 4.726 4.320 0.001 0.000 0.273 400 A C 0.621 178.369 177.584 0.275 0.000 1.144 400 A CA -0.073 51.951 52.037 -0.021 0.000 0.806 400 A CB -0.052 18.962 19.000 0.022 0.000 1.080 400 A HN 0.772 nan 8.150 nan 0.000 0.509 401 D N 2.087 122.627 120.400 0.232 0.000 2.218 401 D HA -0.121 4.520 4.640 0.001 0.000 0.204 401 D C 1.518 177.956 176.300 0.230 0.000 0.976 401 D CA 1.776 55.939 54.000 0.272 0.000 0.853 401 D CB 0.088 41.005 40.800 0.195 0.000 0.939 401 D HN 0.779 nan 8.370 nan 0.000 0.481 402 E N 0.458 120.785 120.200 0.213 0.000 2.106 402 E HA -0.101 4.250 4.350 0.001 0.000 0.192 402 E C 1.511 178.209 176.600 0.165 0.000 0.984 402 E CA 0.868 57.371 56.400 0.171 0.000 0.806 402 E CB -0.076 29.718 29.700 0.157 0.000 0.750 402 E HN 0.225 nan 8.360 nan 0.000 0.458 403 D N 0.440 120.932 120.400 0.154 0.000 2.117 403 D HA -0.066 4.574 4.640 0.001 0.000 0.198 403 D C 1.885 178.252 176.300 0.112 0.000 0.982 403 D CA 1.518 55.577 54.000 0.099 0.000 0.828 403 D CB -0.403 40.441 40.800 0.074 0.000 0.967 403 D HN 0.210 nan 8.370 nan 0.000 0.464 404 A N 0.968 123.862 122.820 0.124 0.000 1.902 404 A HA -0.030 4.291 4.320 0.001 0.000 0.217 404 A C 2.284 179.906 177.584 0.064 0.000 1.181 404 A CA 2.101 54.161 52.037 0.039 0.000 0.623 404 A CB -0.775 18.273 19.000 0.080 0.000 0.818 404 A HN 0.223 nan 8.150 nan 0.000 0.443 405 A N -1.783 121.106 122.820 0.116 0.000 1.978 405 A HA -0.150 4.171 4.320 0.001 0.000 0.220 405 A C 2.084 179.712 177.584 0.073 0.000 1.170 405 A CA 1.632 53.720 52.037 0.086 0.000 0.636 405 A CB -0.758 18.298 19.000 0.094 0.000 0.810 405 A HN 0.676 nan 8.150 nan 0.000 0.448 406 Y N 0.144 120.442 120.300 -0.002 0.000 2.352 406 Y HA -0.010 4.541 4.550 0.001 0.000 0.292 406 Y C 1.577 177.462 175.900 -0.025 0.000 1.136 406 Y CA 1.396 59.486 58.100 -0.015 0.000 1.227 406 Y CB -0.023 38.423 38.460 -0.024 0.000 0.991 406 Y HN 0.228 nan 8.280 nan 0.000 0.545 407 L N -1.030 120.281 121.223 0.146 0.000 2.611 407 L HA 0.256 4.597 4.340 0.001 0.000 0.229 407 L C 1.488 178.345 176.870 -0.022 0.000 1.137 407 L CA 0.555 55.430 54.840 0.059 0.000 0.901 407 L CB -0.455 41.609 42.059 0.009 0.000 1.098 407 L HN 0.357 nan 8.230 nan 0.000 0.456 408 G N 1.299 110.082 108.800 -0.028 0.000 2.147 408 G HA2 -0.273 3.688 3.960 0.001 0.000 0.244 408 G HA3 -0.273 3.688 3.960 0.001 0.000 0.244 408 G C 0.028 174.901 174.900 -0.046 0.000 1.005 408 G CA -0.081 44.994 45.100 -0.042 0.000 0.713 408 G HN 0.328 nan 8.290 nan 0.000 0.515 409 I N 0.901 121.439 120.570 -0.054 0.000 2.404 409 I HA 0.458 4.629 4.170 0.001 0.000 0.293 409 I C 0.571 176.696 176.117 0.014 0.000 0.992 409 I CA -0.752 60.497 61.300 -0.086 0.000 1.149 409 I CB 2.046 39.886 38.000 -0.266 0.000 1.315 409 I HN 0.129 nan 8.210 nan 0.000 0.446 410 S N 4.262 120.003 115.700 0.069 0.000 2.416 410 S HA 0.278 4.749 4.470 0.001 0.000 0.287 410 S C 1.277 176.028 174.600 0.252 0.000 1.139 410 S CA -0.183 58.109 58.200 0.152 0.000 1.058 410 S CB 0.945 64.237 63.200 0.154 0.000 0.967 410 S HN 0.856 nan 8.310 nan 0.000 0.495 411 G N 4.186 113.172 108.800 0.310 0.000 2.553 411 G HA2 -0.276 3.684 3.960 0.001 0.000 0.218 411 G HA3 -0.276 3.684 3.960 0.001 0.000 0.218 411 G C 1.069 176.178 174.900 0.348 0.000 1.195 411 G CA 1.306 46.663 45.100 0.428 0.000 0.779 411 G HN 0.851 nan 8.290 nan 0.000 0.577 412 Y N 1.902 122.310 120.300 0.181 0.000 2.097 412 Y HA -0.172 4.379 4.550 0.001 0.000 0.282 412 Y C 2.638 178.638 175.900 0.166 0.000 1.152 412 Y CA 2.313 60.502 58.100 0.149 0.000 1.136 412 Y CB -0.154 38.373 38.460 0.112 0.000 0.975 412 Y HN 0.219 nan 8.280 nan 0.000 0.498 413 D N -1.288 119.288 120.400 0.293 0.000 2.117 413 D HA -0.204 4.436 4.640 0.001 0.000 0.197 413 D C 1.987 178.376 176.300 0.148 0.000 0.987 413 D CA 1.893 56.012 54.000 0.198 0.000 0.829 413 D CB -0.661 40.271 40.800 0.219 0.000 0.961 413 D HN 0.494 nan 8.370 nan 0.000 0.460 414 H N 0.954 120.086 119.070 0.103 0.000 2.387 414 H HA 0.068 4.625 4.556 0.001 0.000 0.299 414 H C 1.915 177.277 175.328 0.057 0.000 1.090 414 H CA 1.422 57.532 56.048 0.103 0.000 1.332 414 H CB 0.210 30.042 29.762 0.117 0.000 1.386 414 H HN -0.026 nan 8.280 nan 0.000 0.516 415 R N -0.270 120.256 120.500 0.043 0.000 2.115 415 R HA -0.085 4.256 4.340 0.001 0.000 0.226 415 R C 2.204 178.383 176.300 -0.202 0.000 1.100 415 R CA 0.960 56.977 56.100 -0.138 0.000 0.980 415 R CB 0.061 30.363 30.300 0.003 0.000 0.875 415 R HN 0.451 nan 8.270 nan 0.000 0.445 416 Q N 0.082 119.778 119.800 -0.173 0.000 2.084 416 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 416 Q C 1.918 177.869 176.000 -0.081 0.000 0.978 416 Q CA 1.395 57.124 55.803 -0.124 0.000 0.844 416 Q CB -0.337 28.346 28.738 -0.092 0.000 0.898 416 Q HN 0.304 nan 8.270 nan 0.000 0.426 417 F N 1.257 121.075 119.950 -0.220 0.000 2.102 417 F HA -0.154 4.373 4.527 0.001 0.000 0.298 417 F C 2.011 177.587 175.800 -0.373 0.000 1.105 417 F CA 1.070 58.894 58.000 -0.293 0.000 1.239 417 F CB -0.521 38.242 39.000 -0.395 0.000 0.991 417 F HN -0.047 nan 8.300 nan 0.000 0.474 418 L N 0.420 121.082 121.223 -0.935 0.000 2.012 418 L HA -0.295 4.046 4.340 0.001 0.000 0.210 418 L C 2.183 178.774 176.870 -0.465 0.000 1.073 418 L CA 2.171 56.367 54.840 -1.072 0.000 0.748 418 L CB -1.037 40.137 42.059 -1.476 0.000 0.891 418 L HN 0.262 nan 8.230 nan 0.000 0.431 419 N N -0.611 117.959 118.700 -0.217 0.000 2.120 419 N HA -0.153 4.587 4.740 0.001 0.000 0.188 419 N C 1.943 177.466 175.510 0.022 0.000 1.024 419 N CA 0.943 54.064 53.050 0.118 0.000 0.852 419 N CB -0.012 38.566 38.487 0.152 0.000 1.003 419 N HN 0.220 nan 8.380 nan 0.000 0.424 420 R N -0.052 120.393 120.500 -0.092 0.000 2.073 420 R HA -0.122 4.219 4.340 0.001 0.000 0.234 420 R C 1.957 178.198 176.300 -0.097 0.000 1.134 420 R CA 1.214 57.285 56.100 -0.048 0.000 0.952 420 R CB -0.497 29.825 30.300 0.036 0.000 0.850 420 R HN 0.244 nan 8.270 nan 0.000 0.433 421 F N 0.536 120.172 119.950 -0.523 0.000 2.095 421 F HA -0.201 4.327 4.527 0.001 0.000 0.298 421 F C 1.597 177.061 175.800 -0.561 0.000 1.104 421 F CA 1.533 59.121 58.000 -0.687 0.000 1.232 421 F CB -0.172 37.987 39.000 -1.402 0.000 0.987 421 F HN -0.117 nan 8.300 nan 0.000 0.475 422 F N -0.311 119.634 119.950 -0.008 0.000 2.748 422 F HA 0.030 4.558 4.527 0.001 0.000 0.299 422 F C 1.816 177.589 175.800 -0.044 0.000 1.154 422 F CA 0.806 58.816 58.000 0.017 0.000 1.446 422 F CB -0.494 38.609 39.000 0.171 0.000 1.112 422 F HN -0.035 nan 8.300 nan 0.000 0.584 423 V N -2.875 117.082 119.914 0.072 0.000 3.271 423 V HA 0.298 4.419 4.120 0.001 0.000 0.327 423 V C 0.635 176.716 176.094 -0.022 0.000 1.389 423 V CA -0.016 62.312 62.300 0.047 0.000 1.156 423 V CB -0.966 30.891 31.823 0.056 0.000 1.103 423 V HN 0.384 nan 8.190 nan 0.000 0.453 424 N N 1.789 120.420 118.700 -0.116 0.000 2.738 424 N HA -0.236 4.505 4.740 0.001 0.000 0.249 424 N C 0.219 175.676 175.510 -0.087 0.000 1.047 424 N CA 1.086 54.042 53.050 -0.157 0.000 0.707 424 N CB -1.274 37.154 38.487 -0.098 0.000 0.937 424 N HN 0.773 nan 8.380 nan 0.000 0.545 425 R N 0.251 120.718 120.500 -0.055 0.000 2.727 425 R HA 0.324 4.665 4.340 0.001 0.000 0.410 425 R C -1.008 175.340 176.300 0.080 0.000 1.101 425 R CA -0.247 55.851 56.100 -0.003 0.000 1.045 425 R CB 0.384 30.686 30.300 0.003 0.000 1.380 425 R HN 0.262 nan 8.270 nan 0.000 0.587 426 F N 0.451 120.324 119.950 -0.129 0.000 2.607 426 F HA 0.210 4.737 4.527 0.001 0.000 0.322 426 F C -0.730 175.022 175.800 -0.081 0.000 1.176 426 F CA -1.569 56.396 58.000 -0.058 0.000 0.977 426 F CB 1.385 40.383 39.000 -0.004 0.000 1.242 426 F HN -0.011 nan 8.300 nan 0.000 0.465 427 D N 4.098 124.177 120.400 -0.535 0.000 2.586 427 D HA 0.368 5.009 4.640 0.001 0.000 0.234 427 D C 1.153 177.347 176.300 -0.176 0.000 1.132 427 D CA 2.498 56.296 54.000 -0.337 0.000 0.860 427 D CB 0.661 41.250 40.800 -0.353 0.000 1.159 427 D HN 1.051 nan 8.370 nan 0.000 0.490 428 G N 2.504 111.273 108.800 -0.052 0.000 2.217 428 G HA2 -0.291 3.669 3.960 0.001 0.000 0.246 428 G HA3 -0.291 3.669 3.960 0.001 0.000 0.246 428 G C 0.515 175.429 174.900 0.024 0.000 0.990 428 G CA 0.280 45.413 45.100 0.054 0.000 0.627 428 G HN 0.862 nan 8.290 nan 0.000 0.522 429 S N 0.379 115.972 115.700 -0.177 0.000 2.558 429 S HA 0.426 4.896 4.470 0.001 0.000 0.288 429 S C 1.295 175.617 174.600 -0.464 0.000 1.318 429 S CA 0.639 58.380 58.200 -0.764 0.000 1.056 429 S CB 0.053 62.569 63.200 -1.141 0.000 0.853 429 S HN 1.151 nan 8.310 nan 0.000 0.505 430 F N 2.387 122.179 119.950 -0.264 0.000 2.721 430 F HA 0.604 5.132 4.527 0.001 0.000 0.301 430 F C 0.714 176.490 175.800 -0.040 0.000 1.096 430 F CA -0.607 57.362 58.000 -0.051 0.000 1.308 430 F CB -0.825 38.229 39.000 0.090 0.000 1.086 430 F HN 0.541 nan 8.300 nan 0.000 0.587 431 A N 1.651 124.298 122.820 -0.288 0.000 2.354 431 A HA 0.659 4.979 4.320 0.001 0.000 0.269 431 A C 0.589 178.172 177.584 -0.001 0.000 1.109 431 A CA -0.617 51.425 52.037 0.007 0.000 0.800 431 A CB 0.389 19.356 19.000 -0.054 0.000 1.045 431 A HN 0.330 nan 8.150 nan 0.000 0.489 432 R N 2.128 122.692 120.500 0.106 0.000 2.795 432 R HA 0.239 4.580 4.340 0.001 0.000 0.320 432 R C 0.396 176.750 176.300 0.091 0.000 1.223 432 R CA 0.129 56.276 56.100 0.078 0.000 1.305 432 R CB 0.623 30.978 30.300 0.091 0.000 1.318 432 R HN 0.825 nan 8.270 nan 0.000 0.636 433 G N -0.013 108.843 108.800 0.093 0.000 2.537 433 G HA2 0.523 4.484 3.960 0.001 0.000 0.297 433 G HA3 0.523 4.484 3.960 0.001 0.000 0.297 433 G C -0.223 174.725 174.900 0.080 0.000 1.310 433 G CA -0.301 44.842 45.100 0.070 0.000 1.027 433 G HN 0.074 nan 8.290 nan 0.000 0.505 434 V N -3.206 116.748 119.914 0.066 0.000 2.962 434 V HA 0.738 4.859 4.120 0.001 0.000 0.313 434 V C -2.850 173.300 176.094 0.093 0.000 1.099 434 V CA -2.643 59.717 62.300 0.099 0.000 0.971 434 V CB 1.988 33.903 31.823 0.153 0.000 1.028 434 V HN 0.532 nan 8.190 nan 0.000 0.430 435 P HA 0.391 nan 4.420 nan 0.000 0.272 435 P C -1.345 176.074 177.300 0.199 0.000 1.223 435 P CA 0.208 63.389 63.100 0.136 0.000 0.784 435 P CB 0.195 31.958 31.700 0.104 0.000 0.923 436 F N 2.183 122.135 119.950 0.003 0.000 2.585 436 F HA 0.231 4.759 4.527 0.001 0.000 0.319 436 F C -0.387 175.409 175.800 -0.006 0.000 1.165 436 F CA -0.365 57.608 58.000 -0.045 0.000 0.949 436 F CB 1.197 40.126 39.000 -0.119 0.000 1.218 436 F HN 0.259 nan 8.300 nan 0.000 0.453 437 Q N 4.155 123.563 119.800 -0.654 0.000 2.463 437 Q HA -0.301 4.040 4.340 0.001 0.000 0.299 437 Q C -1.088 174.825 176.000 -0.145 0.000 1.353 437 Q CA 0.690 56.182 55.803 -0.517 0.000 0.828 437 Q CB -2.073 26.244 28.738 -0.702 0.000 1.157 437 Q HN 0.728 nan 8.270 nan 0.000 0.436 438 Y N 1.607 121.833 120.300 -0.123 0.000 2.544 438 Y HA 0.207 4.758 4.550 0.001 0.000 0.330 438 Y C 0.238 176.116 175.900 -0.037 0.000 1.136 438 Y CA -0.497 57.581 58.100 -0.038 0.000 1.417 438 Y CB 0.498 38.959 38.460 0.001 0.000 1.229 438 Y HN 0.141 nan 8.280 nan 0.000 0.532 439 N N 9.236 127.586 118.700 -0.583 0.000 2.546 439 N HA 0.255 4.996 4.740 0.001 0.000 0.238 439 N C -2.095 172.958 175.510 -0.762 0.000 0.984 439 N CA -2.389 50.344 53.050 -0.528 0.000 0.935 439 N CB 1.434 39.785 38.487 -0.227 0.000 1.122 439 N HN 0.428 nan 8.380 nan 0.000 0.510 440 P HA -0.075 nan 4.420 nan 0.000 0.219 440 P C 0.728 177.929 177.300 -0.165 0.000 1.146 440 P CA 0.922 63.741 63.100 -0.470 0.000 0.808 440 P CB 0.487 32.061 31.700 -0.210 0.000 0.779 441 S N -0.652 114.961 115.700 -0.146 0.000 2.461 441 S HA -0.037 4.433 4.470 0.001 0.000 0.228 441 S C 1.795 176.380 174.600 -0.025 0.000 1.005 441 S CA 1.732 59.895 58.200 -0.062 0.000 0.942 441 S CB -0.657 62.508 63.200 -0.057 0.000 0.776 441 S HN 0.468 nan 8.310 nan 0.000 0.514 442 T N -3.416 111.122 114.554 -0.027 0.000 2.975 442 T HA 0.470 4.820 4.350 0.001 0.000 0.261 442 T C 1.451 176.262 174.700 0.184 0.000 0.984 442 T CA 0.779 62.915 62.100 0.060 0.000 0.911 442 T CB 0.455 69.353 68.868 0.051 0.000 1.127 442 T HN 0.461 nan 8.240 nan 0.000 0.514 443 G N 1.514 110.390 108.800 0.127 0.000 2.179 443 G HA2 -0.244 3.717 3.960 0.001 0.000 0.260 443 G HA3 -0.244 3.717 3.960 0.001 0.000 0.260 443 G C -0.197 174.841 174.900 0.231 0.000 0.977 443 G CA 0.217 45.487 45.100 0.283 0.000 0.641 443 G HN 0.824 nan 8.290 nan 0.000 0.533 444 D N -0.455 120.029 120.400 0.140 0.000 2.341 444 D HA 0.589 5.230 4.640 0.001 0.000 0.245 444 D C 0.243 176.649 176.300 0.177 0.000 1.106 444 D CA 0.549 54.628 54.000 0.132 0.000 0.905 444 D CB 1.025 41.879 40.800 0.090 0.000 1.202 444 D HN 0.558 nan 8.370 nan 0.000 0.426 445 C N 2.827 122.247 119.300 0.201 0.000 3.239 445 C HA 0.685 5.145 4.460 0.001 0.000 0.329 445 C C -1.292 173.804 174.990 0.176 0.000 1.252 445 C CA -0.609 58.541 59.018 0.219 0.000 1.323 445 C CB 0.818 28.739 27.740 0.301 0.000 1.663 445 C HN 0.814 nan 8.230 nan 0.000 0.487 446 R N 1.761 122.339 120.500 0.130 0.000 2.919 446 R HA 0.882 5.222 4.340 0.001 0.000 0.260 446 R C -1.307 175.028 176.300 0.058 0.000 1.067 446 R CA -0.534 55.589 56.100 0.038 0.000 1.003 446 R CB 1.730 32.087 30.300 0.096 0.000 1.192 446 R HN 0.515 nan 8.270 nan 0.000 0.488 447 V N 0.714 120.554 119.914 -0.124 0.000 2.555 447 V HA 0.505 4.625 4.120 0.001 0.000 0.302 447 V C -0.462 175.511 176.094 -0.202 0.000 1.038 447 V CA -0.634 61.603 62.300 -0.104 0.000 0.887 447 V CB 1.970 33.728 31.823 -0.109 0.000 0.991 447 V HN 0.740 nan 8.190 nan 0.000 0.434 448 S N 1.795 117.428 115.700 -0.112 0.000 2.621 448 S HA 0.971 5.442 4.470 0.001 0.000 0.302 448 S C 0.133 174.707 174.600 -0.045 0.000 1.093 448 S CA -0.048 58.106 58.200 -0.076 0.000 1.017 448 S CB 1.821 64.906 63.200 -0.192 0.000 1.077 448 S HN 1.526 nan 8.310 nan 0.000 0.517 449 G N 1.118 109.971 108.800 0.088 0.000 2.326 449 G HA2 0.282 4.243 3.960 0.001 0.000 0.478 449 G HA3 0.282 4.243 3.960 0.001 0.000 0.478 449 G C -0.487 174.358 174.900 -0.092 0.000 1.551 449 G CA -0.464 44.633 45.100 -0.005 0.000 0.946 449 G HN 0.884 nan 8.290 nan 0.000 0.671 450 T N -0.550 114.023 114.554 0.032 0.000 2.828 450 T HA 0.640 4.991 4.350 0.001 0.000 0.290 450 T C 1.947 176.675 174.700 0.046 0.000 1.019 450 T CA 0.816 62.950 62.100 0.057 0.000 1.031 450 T CB 1.513 70.494 68.868 0.188 0.000 1.001 450 T HN 2.103 nan 8.240 nan 0.000 0.531 451 A N 1.378 124.295 122.820 0.162 0.000 1.908 451 A HA 0.109 4.429 4.320 0.001 0.000 0.218 451 A C 2.689 180.487 177.584 0.357 0.000 1.181 451 A CA 2.064 54.315 52.037 0.357 0.000 0.627 451 A CB -1.613 17.682 19.000 0.492 0.000 0.818 451 A HN 1.299 nan 8.150 nan 0.000 0.445 452 A N -0.314 122.665 122.820 0.265 0.000 1.933 452 A HA 0.153 4.473 4.320 0.001 0.000 0.218 452 A C 2.473 180.177 177.584 0.199 0.000 1.175 452 A CA 2.109 54.273 52.037 0.213 0.000 0.628 452 A CB -0.934 18.165 19.000 0.164 0.000 0.814 452 A HN 1.103 nan 8.150 nan 0.000 0.444 453 A N -0.492 122.433 122.820 0.175 0.000 1.969 453 A HA 0.087 4.407 4.320 0.001 0.000 0.218 453 A C 2.019 179.725 177.584 0.202 0.000 1.169 453 A CA 1.276 53.408 52.037 0.159 0.000 0.635 453 A CB -0.462 18.611 19.000 0.122 0.000 0.810 453 A HN 0.470 nan 8.150 nan 0.000 0.445 454 L N -0.108 121.242 121.223 0.213 0.000 2.418 454 L HA -0.034 4.307 4.340 0.001 0.000 0.218 454 L C 1.995 179.288 176.870 0.705 0.000 1.125 454 L CA 0.797 55.836 54.840 0.331 0.000 0.835 454 L CB -0.068 41.906 42.059 -0.142 0.000 0.953 454 L HN 0.406 nan 8.230 nan 0.000 0.454 455 V N -4.209 116.042 119.914 0.562 0.000 3.621 455 V HA 0.489 4.610 4.120 0.001 0.000 0.285 455 V C 1.255 177.490 176.094 0.236 0.000 1.346 455 V CA 0.432 62.983 62.300 0.419 0.000 1.104 455 V CB -0.029 31.909 31.823 0.193 0.000 0.913 455 V HN 0.416 nan 8.190 nan 0.000 0.432 456 G N 0.744 109.732 108.800 0.313 0.000 2.134 456 G HA2 -0.239 3.722 3.960 0.001 0.000 0.209 456 G HA3 -0.239 3.722 3.960 0.001 0.000 0.209 456 G C 0.331 175.307 174.900 0.126 0.000 0.993 456 G CA 0.323 45.559 45.100 0.226 0.000 0.669 456 G HN 0.561 nan 8.290 nan 0.000 0.519 457 L N 0.789 122.081 121.223 0.115 0.000 2.201 457 L HA 0.482 4.823 4.340 0.001 0.000 0.212 457 L C 2.845 179.760 176.870 0.075 0.000 1.105 457 L CA 2.835 57.722 54.840 0.078 0.000 0.775 457 L CB -0.576 41.531 42.059 0.080 0.000 0.913 457 L HN 0.651 nan 8.230 nan 0.000 0.440 458 A N -0.497 122.379 122.820 0.093 0.000 1.978 458 A HA -0.201 4.120 4.320 0.001 0.000 0.220 458 A C 1.952 179.575 177.584 0.065 0.000 1.170 458 A CA 1.677 53.762 52.037 0.080 0.000 0.636 458 A CB -0.495 18.560 19.000 0.092 0.000 0.810 458 A HN 0.690 nan 8.150 nan 0.000 0.448 459 Q N -1.237 118.604 119.800 0.069 0.000 2.220 459 Q HA 0.083 4.423 4.340 0.001 0.000 0.205 459 Q C -0.978 175.048 176.000 0.043 0.000 0.865 459 Q CA 0.580 56.415 55.803 0.055 0.000 0.960 459 Q CB -0.150 28.625 28.738 0.062 0.000 1.097 459 Q HN 0.561 nan 8.270 nan 0.000 0.493 460 D N 1.739 122.162 120.400 0.039 0.000 2.800 460 D HA -0.143 4.498 4.640 0.001 0.000 0.232 460 D C -0.684 175.621 176.300 0.009 0.000 1.137 460 D CA 1.085 55.098 54.000 0.020 0.000 0.718 460 D CB -1.038 39.769 40.800 0.012 0.000 1.084 460 D HN 0.506 nan 8.370 nan 0.000 0.432 461 D N 0.434 120.848 120.400 0.023 0.000 2.487 461 D HA 0.024 4.665 4.640 0.001 0.000 0.243 461 D C -1.288 174.982 176.300 -0.051 0.000 1.154 461 D CA -1.180 52.825 54.000 0.009 0.000 0.876 461 D CB 1.165 41.992 40.800 0.045 0.000 1.161 461 D HN 0.029 nan 8.370 nan 0.000 0.478 462 P HA -0.117 nan 4.420 nan 0.000 0.223 462 P C 0.575 177.725 177.300 -0.250 0.000 1.144 462 P CA 1.018 63.995 63.100 -0.205 0.000 0.783 462 P CB 0.156 31.683 31.700 -0.288 0.000 0.771 463 H N -2.146 116.888 119.070 -0.060 0.000 2.575 463 H HA 0.340 4.896 4.556 0.001 0.000 0.267 463 H C 1.866 177.038 175.328 -0.260 0.000 0.966 463 H CA 0.499 56.475 56.048 -0.121 0.000 1.165 463 H CB -0.241 29.467 29.762 -0.089 0.000 1.433 463 H HN 0.029 nan 8.280 nan 0.000 0.544 464 A N 0.985 123.749 122.820 -0.092 0.000 1.869 464 A HA -0.187 4.134 4.320 0.001 0.000 0.218 464 A C 2.643 180.172 177.584 -0.091 0.000 1.203 464 A CA 2.144 54.119 52.037 -0.104 0.000 0.638 464 A CB -0.994 17.993 19.000 -0.021 0.000 0.831 464 A HN 0.191 nan 8.150 nan 0.000 0.450 465 V N 0.706 120.588 119.914 -0.052 0.000 2.287 465 V HA -0.281 3.840 4.120 0.001 0.000 0.248 465 V C 2.180 178.236 176.094 -0.062 0.000 1.053 465 V CA 2.426 64.704 62.300 -0.035 0.000 1.027 465 V CB -0.854 30.956 31.823 -0.022 0.000 0.646 465 V HN 0.549 nan 8.190 nan 0.000 0.447 466 D N -0.510 119.842 120.400 -0.080 0.000 2.178 466 D HA -0.122 4.519 4.640 0.001 0.000 0.202 466 D C 2.387 178.561 176.300 -0.211 0.000 0.974 466 D CA 0.960 54.907 54.000 -0.089 0.000 0.841 466 D CB -0.208 40.601 40.800 0.015 0.000 0.953 466 D HN 0.422 nan 8.370 nan 0.000 0.478 467 R N 0.250 120.517 120.500 -0.388 0.000 2.075 467 R HA -0.012 4.329 4.340 0.001 0.000 0.232 467 R C 2.558 178.708 176.300 -0.249 0.000 1.126 467 R CA 0.633 56.428 56.100 -0.508 0.000 0.963 467 R CB -0.196 29.735 30.300 -0.615 0.000 0.858 467 R HN 0.217 nan 8.270 nan 0.000 0.435 468 I N 1.024 121.530 120.570 -0.107 0.000 2.179 468 I HA -0.310 3.861 4.170 0.001 0.000 0.242 468 I C 2.078 178.243 176.117 0.080 0.000 1.088 468 I CA 1.543 62.869 61.300 0.043 0.000 1.357 468 I CB -0.223 37.847 38.000 0.117 0.000 1.051 468 I HN 0.116 nan 8.210 nan 0.000 0.409 469 K N 0.274 120.680 120.400 0.010 0.000 2.097 469 K HA -0.202 4.119 4.320 0.001 0.000 0.206 469 K C 2.012 178.597 176.600 -0.025 0.000 1.049 469 K CA 1.190 57.479 56.287 0.004 0.000 0.933 469 K CB -0.259 32.210 32.500 -0.052 0.000 0.717 469 K HN 0.143 nan 8.250 nan 0.000 0.442 470 L N 1.277 122.437 121.223 -0.105 0.000 2.005 470 L HA -0.138 4.203 4.340 0.001 0.000 0.207 470 L C 1.770 178.569 176.870 -0.120 0.000 1.072 470 L CA 1.593 56.335 54.840 -0.164 0.000 0.744 470 L CB -0.415 41.450 42.059 -0.323 0.000 0.895 470 L HN 0.122 nan 8.230 nan 0.000 0.433 471 L N -1.727 119.395 121.223 -0.168 0.000 1.989 471 L HA -0.266 4.074 4.340 0.001 0.000 0.211 471 L C 2.563 179.353 176.870 -0.134 0.000 1.071 471 L CA 1.603 56.321 54.840 -0.205 0.000 0.749 471 L CB -0.890 40.902 42.059 -0.444 0.000 0.890 471 L HN 0.256 nan 8.230 nan 0.000 0.431 472 Y N 0.475 120.762 120.300 -0.021 0.000 2.274 472 Y HA -0.249 4.302 4.550 0.001 0.000 0.290 472 Y C 3.101 179.064 175.900 0.106 0.000 1.145 472 Y CA 1.479 59.605 58.100 0.044 0.000 1.203 472 Y CB -0.489 37.996 38.460 0.042 0.000 0.984 472 Y HN 0.313 nan 8.280 nan 0.000 0.533 473 S N -0.234 115.611 115.700 0.242 0.000 2.383 473 S HA -0.208 4.263 4.470 0.001 0.000 0.229 473 S C 1.927 176.814 174.600 0.478 0.000 1.030 473 S CA 1.561 59.977 58.200 0.359 0.000 1.002 473 S CB -0.905 62.405 63.200 0.182 0.000 0.829 473 S HN 0.495 nan 8.310 nan 0.000 0.467 474 I N 1.906 122.664 120.570 0.313 0.000 2.353 474 I HA -0.037 4.134 4.170 0.001 0.000 0.248 474 I C 3.028 179.235 176.117 0.150 0.000 1.119 474 I CA 1.005 62.476 61.300 0.285 0.000 1.417 474 I CB -0.572 37.564 38.000 0.228 0.000 1.078 474 I HN 0.442 nan 8.210 nan 0.000 0.421 475 A N 0.644 123.528 122.820 0.107 0.000 2.015 475 A HA -0.061 4.260 4.320 0.001 0.000 0.219 475 A C 2.200 179.864 177.584 0.134 0.000 1.163 475 A CA 1.129 53.214 52.037 0.080 0.000 0.646 475 A CB -0.566 18.460 19.000 0.045 0.000 0.806 475 A HN 0.395 nan 8.150 nan 0.000 0.448 476 L N -0.100 121.245 121.223 0.203 0.000 2.418 476 L HA -0.019 4.322 4.340 0.001 0.000 0.218 476 L C 2.113 179.038 176.870 0.093 0.000 1.125 476 L CA 1.191 56.135 54.840 0.172 0.000 0.835 476 L CB 0.108 42.322 42.059 0.258 0.000 0.953 476 L HN 0.557 nan 8.230 nan 0.000 0.454 477 S N -3.716 112.070 115.700 0.144 0.000 2.687 477 S HA -0.013 4.458 4.470 0.001 0.000 0.247 477 S C 1.609 176.276 174.600 0.112 0.000 1.050 477 S CA 0.245 58.508 58.200 0.104 0.000 1.063 477 S CB -0.092 63.064 63.200 -0.074 0.000 1.039 477 S HN 0.328 nan 8.310 nan 0.000 0.580 478 T N -0.678 113.863 114.554 -0.021 0.000 2.995 478 T HA 0.445 4.796 4.350 0.001 0.000 0.269 478 T C 1.237 175.894 174.700 -0.073 0.000 1.091 478 T CA 0.600 62.519 62.100 -0.302 0.000 1.128 478 T CB -0.650 67.939 68.868 -0.465 0.000 0.891 478 T HN 1.531 nan 8.240 nan 0.000 0.492 479 G N -0.567 108.298 108.800 0.108 0.000 3.438 479 G HA2 0.498 4.459 3.960 0.001 0.000 0.684 479 G HA3 0.498 4.459 3.960 0.001 0.000 0.684 479 G C -0.099 174.940 174.900 0.231 0.000 1.192 479 G CA -0.657 44.559 45.100 0.193 0.000 1.013 479 G HN 1.600 nan 8.290 nan 0.000 0.530 480 G N -0.222 108.651 108.800 0.122 0.000 2.351 480 G HA2 0.462 4.423 3.960 0.001 0.000 0.353 480 G HA3 0.462 4.423 3.960 0.001 0.000 0.353 480 G C -0.832 174.081 174.900 0.021 0.000 1.358 480 G CA -0.328 44.828 45.100 0.093 0.000 0.995 480 G HN 1.684 nan 8.290 nan 0.000 0.611 481 L N 2.611 123.808 121.223 -0.043 0.000 2.278 481 L HA 0.497 4.837 4.340 0.001 0.000 0.287 481 L C -1.655 175.146 176.870 -0.117 0.000 1.072 481 L CA -1.923 52.835 54.840 -0.137 0.000 0.819 481 L CB 1.423 43.320 42.059 -0.271 0.000 1.176 481 L HN 0.386 nan 8.230 nan 0.000 0.435 482 P HA 0.134 nan 4.420 nan 0.000 0.285 482 P C -1.226 176.057 177.300 -0.028 0.000 1.259 482 P CA -0.553 62.555 63.100 0.014 0.000 0.794 482 P CB 1.870 33.615 31.700 0.076 0.000 0.940 483 L N 5.165 126.433 121.223 0.074 0.000 2.342 483 L HA 0.442 4.782 4.340 0.001 0.000 0.276 483 L C -0.525 176.530 176.870 0.309 0.000 0.997 483 L CA -0.785 54.116 54.840 0.103 0.000 0.838 483 L CB 0.555 42.655 42.059 0.068 0.000 1.224 483 L HN 0.245 nan 8.230 nan 0.000 0.416 484 I N 4.780 125.521 120.570 0.286 0.000 2.395 484 I HA 0.113 4.284 4.170 0.001 0.000 0.289 484 I C -0.745 175.596 176.117 0.374 0.000 1.023 484 I CA -0.576 60.951 61.300 0.378 0.000 1.350 484 I CB 0.708 38.801 38.000 0.155 0.000 1.409 484 I HN 0.547 nan 8.210 nan 0.000 0.507 485 Y N 7.568 128.085 120.300 0.362 0.000 2.539 485 Y HA 0.270 4.821 4.550 0.001 0.000 0.352 485 Y C 0.094 176.152 175.900 0.264 0.000 1.004 485 Y CA -0.429 57.847 58.100 0.294 0.000 1.278 485 Y CB 0.136 38.789 38.460 0.322 0.000 1.136 485 Y HN 0.367 nan 8.280 nan 0.000 0.528 486 L N 6.731 127.898 121.223 -0.093 0.000 2.601 486 L HA 0.052 4.393 4.340 0.001 0.000 0.277 486 L C 1.269 178.236 176.870 0.161 0.000 1.219 486 L CA 1.412 56.266 54.840 0.023 0.000 0.915 486 L CB -0.150 41.753 42.059 -0.261 0.000 1.160 486 L HN 1.070 nan 8.230 nan 0.000 0.494 487 G N 1.824 110.866 108.800 0.403 0.000 2.352 487 G HA2 -0.227 3.733 3.960 0.001 0.000 0.204 487 G HA3 -0.227 3.733 3.960 0.001 0.000 0.204 487 G C 0.673 175.727 174.900 0.256 0.000 1.004 487 G CA 0.075 45.409 45.100 0.390 0.000 0.648 487 G HN 0.593 nan 8.290 nan 0.000 0.491 488 D N 1.460 122.039 120.400 0.298 0.000 2.178 488 D HA -0.011 4.629 4.640 0.001 0.000 0.202 488 D C 2.429 178.805 176.300 0.126 0.000 0.974 488 D CA 1.318 55.485 54.000 0.277 0.000 0.841 488 D CB -0.121 40.926 40.800 0.412 0.000 0.953 488 D HN 0.712 nan 8.370 nan 0.000 0.478 489 E N 0.988 121.244 120.200 0.093 0.000 2.472 489 E HA -0.106 4.244 4.350 0.001 0.000 0.200 489 E C 1.231 177.873 176.600 0.071 0.000 1.046 489 E CA 0.703 57.145 56.400 0.070 0.000 0.871 489 E CB -0.036 29.787 29.700 0.205 0.000 0.806 489 E HN 0.297 nan 8.360 nan 0.000 0.533 490 V N -4.210 115.676 119.914 -0.047 0.000 3.276 490 V HA 0.522 4.642 4.120 0.001 0.000 0.319 490 V C 0.965 177.005 176.094 -0.089 0.000 1.476 490 V CA -0.120 62.083 62.300 -0.163 0.000 1.097 490 V CB 0.044 31.534 31.823 -0.555 0.000 0.988 490 V HN 0.163 nan 8.190 nan 0.000 0.473 491 G N 1.140 109.946 108.800 0.009 0.000 2.246 491 G HA2 -0.242 3.718 3.960 0.001 0.000 0.273 491 G HA3 -0.242 3.718 3.960 0.001 0.000 0.273 491 G C 0.115 175.053 174.900 0.063 0.000 1.055 491 G CA 0.444 45.577 45.100 0.055 0.000 0.851 491 G HN 0.705 nan 8.290 nan 0.000 0.500 492 T N 0.758 115.362 114.554 0.083 0.000 2.902 492 T HA 0.414 4.765 4.350 0.001 0.000 0.301 492 T C 1.328 176.115 174.700 0.146 0.000 1.012 492 T CA 0.202 62.366 62.100 0.106 0.000 1.151 492 T CB 1.094 70.058 68.868 0.159 0.000 0.946 492 T HN 0.399 nan 8.240 nan 0.000 0.542 493 L N 2.590 123.887 121.223 0.124 0.000 2.472 493 L HA 0.415 4.756 4.340 0.001 0.000 0.256 493 L C 1.040 178.003 176.870 0.155 0.000 1.111 493 L CA -1.368 53.551 54.840 0.133 0.000 0.800 493 L CB 0.344 42.467 42.059 0.106 0.000 1.286 493 L HN 0.516 nan 8.230 nan 0.000 0.479 494 N N 0.373 119.163 118.700 0.151 0.000 2.415 494 N HA 0.022 4.762 4.740 0.001 0.000 0.248 494 N C -0.843 174.776 175.510 0.182 0.000 1.271 494 N CA -0.130 53.019 53.050 0.165 0.000 0.913 494 N CB 0.291 38.876 38.487 0.162 0.000 1.129 494 N HN 0.482 nan 8.380 nan 0.000 0.444 495 D N -0.399 120.132 120.400 0.217 0.000 2.396 495 D HA 0.155 4.795 4.640 0.001 0.000 0.225 495 D C -0.133 176.382 176.300 0.359 0.000 1.121 495 D CA -0.357 53.787 54.000 0.240 0.000 0.853 495 D CB 0.389 41.336 40.800 0.245 0.000 1.043 495 D HN 0.209 nan 8.370 nan 0.000 0.500 496 D N 2.835 123.380 120.400 0.242 0.000 2.363 496 D HA -0.083 4.558 4.640 0.001 0.000 0.220 496 D C 0.538 176.860 176.300 0.036 0.000 0.994 496 D CA 0.445 54.563 54.000 0.197 0.000 0.890 496 D CB 0.381 41.245 40.800 0.107 0.000 0.906 496 D HN 0.566 nan 8.370 nan 0.000 0.530 497 D N 0.602 121.041 120.400 0.064 0.000 2.277 497 D HA -0.093 4.547 4.640 0.001 0.000 0.208 497 D C 2.222 178.466 176.300 -0.094 0.000 0.962 497 D CA 0.108 54.086 54.000 -0.036 0.000 0.865 497 D CB -0.328 40.475 40.800 0.005 0.000 0.939 497 D HN 0.499 nan 8.370 nan 0.000 0.510 498 W N 2.650 123.958 121.300 0.013 0.000 2.305 498 W HA -0.268 4.392 4.660 0.001 0.000 0.308 498 W C 1.739 178.263 176.519 0.009 0.000 1.226 498 W CA 1.631 58.982 57.345 0.010 0.000 1.253 498 W CB -1.405 28.114 29.460 0.098 0.000 1.146 498 W HN 0.004 nan 8.180 nan 0.000 0.507 499 S N 0.671 115.458 115.700 -1.522 0.000 2.442 499 S HA -0.215 4.256 4.470 0.001 0.000 0.236 499 S C 1.724 175.995 174.600 -0.549 0.000 1.007 499 S CA 1.383 58.744 58.200 -1.398 0.000 0.965 499 S CB -0.632 61.687 63.200 -1.469 0.000 0.773 499 S HN 0.415 nan 8.310 nan 0.000 0.504 500 Q N 0.880 120.454 119.800 -0.377 0.000 2.398 500 Q HA 0.164 4.505 4.340 0.001 0.000 0.204 500 Q C 0.035 175.951 176.000 -0.140 0.000 0.932 500 Q CA 0.295 55.973 55.803 -0.209 0.000 0.916 500 Q CB -0.237 28.404 28.738 -0.162 0.000 1.024 500 Q HN 0.572 nan 8.270 nan 0.000 0.504 501 D N 0.972 121.294 120.400 -0.129 0.000 2.339 501 D HA 0.008 4.648 4.640 0.001 0.000 0.256 501 D C 0.870 177.129 176.300 -0.068 0.000 1.214 501 D CA 0.105 54.049 54.000 -0.094 0.000 0.877 501 D CB 1.402 42.139 40.800 -0.106 0.000 1.111 501 D HN -0.091 nan 8.370 nan 0.000 0.478 502 S N 3.810 119.475 115.700 -0.059 0.000 2.387 502 S HA -0.191 4.280 4.470 0.001 0.000 0.230 502 S C 1.338 175.930 174.600 -0.013 0.000 1.035 502 S CA 1.122 59.304 58.200 -0.031 0.000 1.014 502 S CB -0.022 63.159 63.200 -0.031 0.000 0.836 502 S HN 0.523 nan 8.310 nan 0.000 0.466 503 N N 0.314 118.983 118.700 -0.051 0.000 2.398 503 N HA 0.130 4.871 4.740 0.001 0.000 0.188 503 N C 1.056 176.539 175.510 -0.043 0.000 1.122 503 N CA 0.450 53.472 53.050 -0.047 0.000 0.866 503 N CB 0.227 38.652 38.487 -0.104 0.000 0.970 503 N HN 0.555 nan 8.380 nan 0.000 0.462 504 K N -0.753 119.627 120.400 -0.034 0.000 2.511 504 K HA 0.104 4.425 4.320 0.001 0.000 0.206 504 K C 1.752 178.586 176.600 0.390 0.000 1.333 504 K CA 0.178 56.502 56.287 0.061 0.000 0.957 504 K CB 0.340 32.714 32.500 -0.209 0.000 1.172 504 K HN -0.002 nan 8.250 nan 0.000 0.547 505 S N 2.394 118.239 115.700 0.241 0.000 2.423 505 S HA -0.213 4.257 4.470 0.001 0.000 0.238 505 S C 1.527 176.350 174.600 0.372 0.000 1.028 505 S CA 1.941 60.274 58.200 0.222 0.000 1.000 505 S CB -0.485 62.724 63.200 0.017 0.000 0.797 505 S HN 0.385 nan 8.310 nan 0.000 0.487 506 D N 0.296 120.887 120.400 0.317 0.000 2.340 506 D HA 0.074 4.714 4.640 0.001 0.000 0.220 506 D C -0.150 176.329 176.300 0.299 0.000 1.039 506 D CA 0.060 54.221 54.000 0.269 0.000 0.866 506 D CB -0.255 40.662 40.800 0.195 0.000 0.913 506 D HN 0.367 nan 8.370 nan 0.000 0.523 507 D N 0.573 121.218 120.400 0.408 0.000 2.389 507 D HA 0.055 4.696 4.640 0.001 0.000 0.256 507 D C 0.911 177.239 176.300 0.047 0.000 1.239 507 D CA -0.304 53.884 54.000 0.313 0.000 0.925 507 D CB 1.571 42.575 40.800 0.340 0.000 1.145 507 D HN -0.055 nan 8.370 nan 0.000 0.542 508 S N 3.127 118.737 115.700 -0.149 0.000 2.537 508 S HA -0.107 4.363 4.470 0.001 0.000 0.240 508 S C 1.577 175.570 174.600 -1.012 0.000 0.981 508 S CA 0.374 58.016 58.200 -0.930 0.000 0.948 508 S CB -0.058 62.943 63.200 -0.331 0.000 0.759 508 S HN 0.439 nan 8.310 nan 0.000 0.531 509 R N -0.379 119.578 120.500 -0.905 0.000 2.189 509 R HA 0.012 4.353 4.340 0.001 0.000 0.223 509 R C 1.400 176.927 176.300 -1.289 0.000 1.092 509 R CA 1.431 56.793 56.100 -1.230 0.000 0.989 509 R CB -0.323 29.317 30.300 -1.101 0.000 0.876 509 R HN 0.587 nan 8.270 nan 0.000 0.457 510 W N 0.467 121.313 121.300 -0.757 0.000 2.525 510 W HA -0.045 4.616 4.660 0.001 0.000 0.259 510 W C 2.261 178.458 176.519 -0.536 0.000 1.253 510 W CA 0.628 57.685 57.345 -0.480 0.000 1.262 510 W CB -0.016 29.353 29.460 -0.153 0.000 1.122 510 W HN 0.154 nan 8.180 nan 0.000 0.607 511 A N 0.125 122.451 122.820 -0.823 0.000 1.972 511 A HA -0.209 4.112 4.320 0.001 0.000 0.219 511 A C 1.548 179.031 177.584 -0.168 0.000 1.169 511 A CA 1.685 53.388 52.037 -0.556 0.000 0.635 511 A CB -1.157 17.427 19.000 -0.694 0.000 0.810 511 A HN 0.613 nan 8.150 nan 0.000 0.446 512 H N -2.317 116.654 119.070 -0.165 0.000 2.487 512 H HA 0.424 4.981 4.556 0.001 0.000 0.290 512 H C -0.138 175.249 175.328 0.097 0.000 1.081 512 H CA -0.318 55.701 56.048 -0.048 0.000 1.116 512 H CB -0.080 29.579 29.762 -0.171 0.000 1.560 512 H HN 0.361 nan 8.280 nan 0.000 0.548 513 R N 2.301 122.869 120.500 0.113 0.000 3.026 513 R HA 0.249 4.590 4.340 0.001 0.000 0.317 513 R C -2.647 173.797 176.300 0.240 0.000 1.278 513 R CA -1.486 54.745 56.100 0.219 0.000 1.407 513 R CB 0.921 31.194 30.300 -0.044 0.000 1.368 513 R HN 0.356 nan 8.270 nan 0.000 0.612 514 P HA 0.115 nan 4.420 nan 0.000 0.274 514 P C -0.372 177.061 177.300 0.223 0.000 1.237 514 P CA -0.331 62.904 63.100 0.225 0.000 0.793 514 P CB 1.131 32.962 31.700 0.218 0.000 0.977 515 R N 0.000 120.607 120.500 0.178 0.000 2.649 515 R HA 0.173 4.513 4.340 0.001 0.000 0.270 515 R C 0.106 176.523 176.300 0.194 0.000 1.105 515 R CA -0.560 55.645 56.100 0.175 0.000 1.193 515 R CB -0.053 30.318 30.300 0.118 0.000 1.120 515 R HN 0.463 nan 8.270 nan 0.000 0.561 516 Y N 1.274 121.575 120.300 0.002 0.000 2.802 516 Y HA -0.163 4.388 4.550 0.001 0.000 0.333 516 Y C 0.138 176.030 175.900 -0.013 0.000 1.244 516 Y CA 0.688 58.715 58.100 -0.121 0.000 1.558 516 Y CB 0.019 38.203 38.460 -0.460 0.000 1.233 516 Y HN 0.486 nan 8.280 nan 0.000 0.547 517 N N 5.612 124.195 118.700 -0.196 0.000 2.558 517 N HA 0.058 4.799 4.740 0.001 0.000 0.233 517 N C 0.547 175.934 175.510 -0.204 0.000 1.038 517 N CA -0.294 52.690 53.050 -0.110 0.000 0.934 517 N CB 0.478 38.935 38.487 -0.050 0.000 1.175 517 N HN 0.775 nan 8.380 nan 0.000 0.512 518 E N 2.025 122.169 120.200 -0.093 0.000 2.118 518 E HA -0.251 4.100 4.350 0.001 0.000 0.195 518 E C 1.751 178.335 176.600 -0.026 0.000 0.992 518 E CA 1.245 57.636 56.400 -0.015 0.000 0.804 518 E CB -0.038 29.709 29.700 0.079 0.000 0.741 518 E HN 0.732 nan 8.360 nan 0.000 0.458 519 A N 1.663 124.464 122.820 -0.033 0.000 1.877 519 A HA -0.166 4.155 4.320 0.001 0.000 0.216 519 A C 2.277 179.821 177.584 -0.067 0.000 1.186 519 A CA 1.142 53.158 52.037 -0.036 0.000 0.620 519 A CB -0.682 18.302 19.000 -0.026 0.000 0.822 519 A HN 0.122 nan 8.150 nan 0.000 0.443 520 L N -2.451 118.708 121.223 -0.107 0.000 2.056 520 L HA -0.184 4.157 4.340 0.001 0.000 0.207 520 L C 2.580 179.287 176.870 -0.272 0.000 1.078 520 L CA 1.397 56.129 54.840 -0.180 0.000 0.749 520 L CB -0.681 41.245 42.059 -0.221 0.000 0.901 520 L HN 0.441 nan 8.230 nan 0.000 0.433 521 Y N 0.060 120.190 120.300 -0.283 0.000 2.293 521 Y HA -0.175 4.376 4.550 0.001 0.000 0.291 521 Y C 2.584 178.352 175.900 -0.220 0.000 1.137 521 Y CA 1.091 58.999 58.100 -0.319 0.000 1.202 521 Y CB -0.405 37.753 38.460 -0.503 0.000 0.990 521 Y HN 0.127 nan 8.280 nan 0.000 0.537 522 A N -0.533 122.268 122.820 -0.033 0.000 2.168 522 A HA -0.145 4.175 4.320 0.001 0.000 0.215 522 A C 1.778 179.328 177.584 -0.055 0.000 1.152 522 A CA 1.130 53.147 52.037 -0.035 0.000 0.716 522 A CB -0.357 18.630 19.000 -0.021 0.000 0.794 522 A HN 0.544 nan 8.150 nan 0.000 0.465 523 Q N -0.850 118.901 119.800 -0.082 0.000 2.282 523 Q HA 0.026 4.367 4.340 0.001 0.000 0.206 523 Q C 1.680 177.631 176.000 -0.082 0.000 0.878 523 Q CA 0.248 56.009 55.803 -0.070 0.000 0.944 523 Q CB 0.178 28.878 28.738 -0.064 0.000 1.100 523 Q HN 0.857 nan 8.270 nan 0.000 0.509 524 R N 0.360 120.773 120.500 -0.144 0.000 2.249 524 R HA -0.057 4.284 4.340 0.001 0.000 0.230 524 R C 0.804 177.067 176.300 -0.063 0.000 1.121 524 R CA 1.272 57.261 56.100 -0.185 0.000 0.997 524 R CB -0.100 29.893 30.300 -0.512 0.000 0.867 524 R HN 0.087 nan 8.270 nan 0.000 0.465 525 N N 0.531 119.208 118.700 -0.038 0.000 2.203 525 N HA -0.010 4.731 4.740 0.001 0.000 0.207 525 N C -0.855 174.673 175.510 0.031 0.000 1.130 525 N CA 0.090 53.159 53.050 0.032 0.000 0.861 525 N CB 0.511 39.012 38.487 0.023 0.000 1.005 525 N HN 0.219 nan 8.380 nan 0.000 0.507 526 D N 1.901 122.310 120.400 0.014 0.000 2.443 526 D HA 0.158 4.799 4.640 0.001 0.000 0.221 526 D C -1.613 174.695 176.300 0.014 0.000 1.097 526 D CA -2.062 51.943 54.000 0.009 0.000 0.865 526 D CB 1.778 42.575 40.800 -0.005 0.000 1.034 526 D HN 0.029 nan 8.370 nan 0.000 0.511 527 P HA -0.042 nan 4.420 nan 0.000 0.234 527 P C 0.659 177.960 177.300 0.002 0.000 1.167 527 P CA 0.343 63.451 63.100 0.012 0.000 0.763 527 P CB 0.467 32.172 31.700 0.008 0.000 0.835 528 S N -0.907 114.793 115.700 -0.000 0.000 2.548 528 S HA 0.041 4.511 4.470 0.001 0.000 0.215 528 S C 1.141 175.738 174.600 -0.006 0.000 0.976 528 S CA 0.289 58.486 58.200 -0.004 0.000 0.908 528 S CB -0.279 62.918 63.200 -0.005 0.000 0.781 528 S HN 0.412 nan 8.310 nan 0.000 0.519 529 T N -1.281 113.270 114.554 -0.006 0.000 2.945 529 T HA 0.761 5.111 4.350 0.001 0.000 0.286 529 T C 1.227 175.922 174.700 -0.007 0.000 1.025 529 T CA -0.306 61.789 62.100 -0.010 0.000 1.039 529 T CB 1.684 70.542 68.868 -0.017 0.000 1.068 529 T HN -0.053 nan 8.240 nan 0.000 0.497 530 A N 1.397 124.211 122.820 -0.010 0.000 1.902 530 A HA 0.214 4.534 4.320 0.001 0.000 0.217 530 A C 2.583 180.164 177.584 -0.004 0.000 1.181 530 A CA 1.775 53.809 52.037 -0.006 0.000 0.623 530 A CB -1.497 17.501 19.000 -0.003 0.000 0.818 530 A HN 1.277 nan 8.150 nan 0.000 0.443 531 A N -0.513 122.295 122.820 -0.021 0.000 1.902 531 A HA 0.093 4.414 4.320 0.001 0.000 0.217 531 A C 2.389 179.979 177.584 0.009 0.000 1.181 531 A CA 1.994 54.007 52.037 -0.040 0.000 0.623 531 A CB -1.312 17.627 19.000 -0.102 0.000 0.818 531 A HN 0.725 nan 8.150 nan 0.000 0.443 532 G N -1.250 107.559 108.800 0.016 0.000 2.403 532 G HA2 -0.128 3.833 3.960 0.001 0.000 0.216 532 G HA3 -0.128 3.833 3.960 0.001 0.000 0.216 532 G C 1.595 176.543 174.900 0.080 0.000 1.154 532 G CA 0.885 46.023 45.100 0.065 0.000 0.784 532 G HN 0.619 nan 8.290 nan 0.000 0.538 533 Q N -0.250 119.572 119.800 0.036 0.000 2.079 533 Q HA 0.045 4.386 4.340 0.001 0.000 0.200 533 Q C 2.545 178.555 176.000 0.018 0.000 0.974 533 Q CA 0.939 56.752 55.803 0.018 0.000 0.840 533 Q CB -0.152 28.586 28.738 0.000 0.000 0.898 533 Q HN 0.510 nan 8.270 nan 0.000 0.430 534 I N -0.557 120.031 120.570 0.029 0.000 2.163 534 I HA -0.284 3.886 4.170 0.001 0.000 0.240 534 I C 2.210 178.344 176.117 0.027 0.000 1.081 534 I CA 1.179 62.492 61.300 0.022 0.000 1.353 534 I CB -0.350 37.668 38.000 0.030 0.000 1.054 534 I HN 0.221 nan 8.210 nan 0.000 0.407 535 Y N 1.918 122.200 120.300 -0.029 0.000 2.097 535 Y HA -0.341 4.210 4.550 0.001 0.000 0.282 535 Y C 2.663 178.572 175.900 0.014 0.000 1.152 535 Y CA 1.912 60.011 58.100 -0.003 0.000 1.136 535 Y CB -0.415 38.053 38.460 0.014 0.000 0.975 535 Y HN 0.173 nan 8.280 nan 0.000 0.498 536 Q N -0.668 119.138 119.800 0.009 0.000 2.167 536 Q HA -0.081 4.260 4.340 0.001 0.000 0.202 536 Q C 2.505 178.452 176.000 -0.088 0.000 0.970 536 Q CA 1.159 56.928 55.803 -0.057 0.000 0.855 536 Q CB -0.493 28.276 28.738 0.051 0.000 0.911 536 Q HN 0.657 nan 8.270 nan 0.000 0.438 537 G N 0.635 109.393 108.800 -0.070 0.000 2.414 537 G HA2 -0.229 3.732 3.960 0.001 0.000 0.215 537 G HA3 -0.229 3.732 3.960 0.001 0.000 0.215 537 G C 1.267 176.114 174.900 -0.088 0.000 1.188 537 G CA 0.528 45.589 45.100 -0.064 0.000 0.783 537 G HN 0.134 nan 8.290 nan 0.000 0.537 538 L N 0.237 121.377 121.223 -0.139 0.000 2.056 538 L HA 0.105 4.446 4.340 0.001 0.000 0.207 538 L C 2.776 179.527 176.870 -0.199 0.000 1.078 538 L CA 1.366 56.104 54.840 -0.169 0.000 0.749 538 L CB -0.589 41.335 42.059 -0.225 0.000 0.901 538 L HN 0.126 nan 8.230 nan 0.000 0.433 539 R N -1.252 119.054 120.500 -0.322 0.000 2.096 539 R HA -0.226 4.115 4.340 0.001 0.000 0.235 539 R C 2.396 178.622 176.300 -0.123 0.000 1.127 539 R CA 1.522 57.434 56.100 -0.314 0.000 0.968 539 R CB -0.534 29.441 30.300 -0.543 0.000 0.861 539 R HN 0.512 nan 8.270 nan 0.000 0.440 540 H N -0.439 118.531 119.070 -0.166 0.000 2.326 540 H HA -0.001 4.556 4.556 0.001 0.000 0.301 540 H C 1.769 177.047 175.328 -0.083 0.000 1.081 540 H CA 2.426 58.411 56.048 -0.105 0.000 1.334 540 H CB -0.113 29.583 29.762 -0.109 0.000 1.385 540 H HN 0.172 nan 8.280 nan 0.000 0.504 541 M N -0.519 118.948 119.600 -0.221 0.000 2.159 541 M HA -0.122 4.359 4.480 0.001 0.000 0.263 541 M C 2.287 178.546 176.300 -0.068 0.000 1.063 541 M CA 1.519 56.707 55.300 -0.187 0.000 1.110 541 M CB -0.161 32.358 32.600 -0.135 0.000 1.374 541 M HN 0.306 nan 8.290 nan 0.000 0.411 542 I N 0.115 120.632 120.570 -0.089 0.000 2.179 542 I HA -0.266 3.904 4.170 0.001 0.000 0.242 542 I C 2.745 178.800 176.117 -0.102 0.000 1.088 542 I CA 1.247 62.498 61.300 -0.081 0.000 1.357 542 I CB -0.614 37.339 38.000 -0.079 0.000 1.051 542 I HN 0.256 nan 8.210 nan 0.000 0.409 543 A N 0.507 123.262 122.820 -0.108 0.000 1.883 543 A HA -0.170 4.151 4.320 0.001 0.000 0.217 543 A C 2.448 179.967 177.584 -0.107 0.000 1.186 543 A CA 1.940 53.929 52.037 -0.081 0.000 0.624 543 A CB -1.032 17.944 19.000 -0.040 0.000 0.822 543 A HN 0.235 nan 8.150 nan 0.000 0.444 544 V N 0.272 120.075 119.914 -0.185 0.000 2.261 544 V HA -0.278 3.842 4.120 0.001 0.000 0.246 544 V C 2.689 178.616 176.094 -0.278 0.000 1.047 544 V CA 2.346 64.555 62.300 -0.151 0.000 1.015 544 V CB -0.844 30.921 31.823 -0.097 0.000 0.642 544 V HN 0.705 nan 8.190 nan 0.000 0.446 545 R N 0.038 120.259 120.500 -0.466 0.000 2.096 545 R HA -0.251 4.089 4.340 0.001 0.000 0.240 545 R C 2.304 178.445 176.300 -0.264 0.000 1.139 545 R CA 2.291 57.976 56.100 -0.692 0.000 0.952 545 R CB -0.297 29.716 30.300 -0.479 0.000 0.854 545 R HN 0.615 nan 8.270 nan 0.000 0.436 546 Q N -0.286 119.430 119.800 -0.140 0.000 2.230 546 Q HA -0.075 4.266 4.340 0.001 0.000 0.202 546 Q C 1.980 177.975 176.000 -0.008 0.000 0.963 546 Q CA 1.698 57.471 55.803 -0.050 0.000 0.866 546 Q CB 0.235 28.954 28.738 -0.031 0.000 0.931 546 Q HN 0.498 nan 8.270 nan 0.000 0.452 547 S N -0.496 115.201 115.700 -0.006 0.000 2.492 547 S HA 0.045 4.515 4.470 0.001 0.000 0.218 547 S C 0.744 175.385 174.600 0.068 0.000 1.016 547 S CA -0.375 57.844 58.200 0.032 0.000 0.916 547 S CB 0.174 63.394 63.200 0.032 0.000 0.791 547 S HN 0.105 nan 8.310 nan 0.000 0.513 548 N N 3.360 122.125 118.700 0.108 0.000 2.462 548 N HA 0.300 5.041 4.740 0.001 0.000 0.242 548 N C -2.039 173.609 175.510 0.230 0.000 1.010 548 N CA -1.881 51.290 53.050 0.202 0.000 0.939 548 N CB 1.742 40.447 38.487 0.364 0.000 1.127 548 N HN 0.112 nan 8.380 nan 0.000 0.509 549 P HA -0.088 nan 4.420 nan 0.000 0.231 549 P C 0.607 177.930 177.300 0.039 0.000 1.158 549 P CA 0.739 63.887 63.100 0.081 0.000 0.763 549 P CB 0.383 32.110 31.700 0.045 0.000 0.805 550 R N -1.304 119.190 120.500 -0.010 0.000 2.237 550 R HA 0.008 4.349 4.340 0.001 0.000 0.219 550 R C 1.486 177.579 176.300 -0.346 0.000 1.080 550 R CA 0.897 56.872 56.100 -0.207 0.000 0.995 550 R CB -0.570 29.528 30.300 -0.337 0.000 0.875 550 R HN 0.268 nan 8.270 nan 0.000 0.462 551 F N 0.266 120.153 119.950 -0.105 0.000 2.765 551 F HA 0.102 4.630 4.527 0.001 0.000 0.302 551 F C 0.743 176.497 175.800 -0.076 0.000 1.111 551 F CA -0.614 57.309 58.000 -0.129 0.000 1.359 551 F CB -0.056 38.839 39.000 -0.175 0.000 1.097 551 F HN -0.134 nan 8.300 nan 0.000 0.577 552 D N 0.457 120.910 120.400 0.089 0.000 2.423 552 D HA 0.388 5.028 4.640 0.001 0.000 0.238 552 D C 0.675 176.991 176.300 0.027 0.000 1.142 552 D CA 1.669 55.702 54.000 0.054 0.000 0.884 552 D CB 0.609 41.432 40.800 0.039 0.000 1.199 552 D HN 0.395 nan 8.370 nan 0.000 0.438 553 G N 1.552 110.367 108.800 0.024 0.000 2.757 553 G HA2 0.103 4.064 3.960 0.001 0.000 0.638 553 G HA3 0.103 4.064 3.960 0.001 0.000 0.638 553 G C 0.505 175.424 174.900 0.032 0.000 1.344 553 G CA -0.108 44.999 45.100 0.012 0.000 0.855 553 G HN 0.907 nan 8.290 nan 0.000 0.537 554 G N -0.544 108.274 108.800 0.030 0.000 3.377 554 G HA2 0.441 4.402 3.960 0.001 0.000 0.257 554 G HA3 0.441 4.402 3.960 0.001 0.000 0.257 554 G C 0.601 175.600 174.900 0.165 0.000 1.038 554 G CA 0.039 45.193 45.100 0.090 0.000 0.809 554 G HN 0.529 nan 8.290 nan 0.000 0.526 555 R N 0.438 120.996 120.500 0.097 0.000 2.457 555 R HA 0.665 5.005 4.340 0.001 0.000 0.284 555 R C -0.501 175.845 176.300 0.077 0.000 1.024 555 R CA -0.432 55.732 56.100 0.108 0.000 1.025 555 R CB 1.583 31.903 30.300 0.033 0.000 1.063 555 R HN 0.295 nan 8.270 nan 0.000 0.493 556 L N -1.875 119.387 121.223 0.065 0.000 2.479 556 L HA 0.699 5.040 4.340 0.001 0.000 0.255 556 L C -1.115 175.737 176.870 -0.030 0.000 1.026 556 L CA -1.011 53.808 54.840 -0.034 0.000 0.842 556 L CB 1.860 43.798 42.059 -0.202 0.000 1.444 556 L HN 0.185 nan 8.230 nan 0.000 0.409 557 V N 0.613 120.517 119.914 -0.016 0.000 2.483 557 V HA 0.618 4.739 4.120 0.001 0.000 0.297 557 V C 0.245 176.361 176.094 0.035 0.000 1.027 557 V CA 0.068 62.361 62.300 -0.010 0.000 0.855 557 V CB 1.857 33.684 31.823 0.007 0.000 0.995 557 V HN 1.077 nan 8.190 nan 0.000 0.424 558 T N 1.738 116.288 114.554 -0.006 0.000 2.898 558 T HA 0.524 4.875 4.350 0.001 0.000 0.301 558 T C -0.682 174.143 174.700 0.208 0.000 1.049 558 T CA -0.111 62.040 62.100 0.085 0.000 1.095 558 T CB 0.847 69.641 68.868 -0.123 0.000 0.976 558 T HN 0.427 nan 8.240 nan 0.000 0.539 559 F N 2.188 122.223 119.950 0.142 0.000 2.449 559 F HA 0.407 4.934 4.527 0.001 0.000 0.342 559 F C -0.221 175.694 175.800 0.192 0.000 1.127 559 F CA -1.215 56.862 58.000 0.127 0.000 0.975 559 F CB 1.242 40.276 39.000 0.057 0.000 1.146 559 F HN 0.525 nan 8.300 nan 0.000 0.444 560 N N 4.163 122.675 118.700 -0.313 0.000 2.405 560 N HA 0.023 4.764 4.740 0.001 0.000 0.260 560 N C 1.079 176.439 175.510 -0.250 0.000 1.152 560 N CA 0.534 53.436 53.050 -0.246 0.000 0.948 560 N CB 1.391 39.725 38.487 -0.255 0.000 1.111 560 N HN 0.797 nan 8.380 nan 0.000 0.485 561 T N -1.251 113.341 114.554 0.062 0.000 3.088 561 T HA -0.036 4.315 4.350 0.001 0.000 0.259 561 T C 0.637 175.362 174.700 0.041 0.000 1.122 561 T CA 0.046 62.268 62.100 0.204 0.000 1.095 561 T CB 0.039 69.053 68.868 0.243 0.000 0.930 561 T HN 0.487 nan 8.240 nan 0.000 0.508 562 N N 1.416 120.090 118.700 -0.045 0.000 2.741 562 N HA -0.180 4.561 4.740 0.001 0.000 0.251 562 N C -0.481 174.997 175.510 -0.053 0.000 1.112 562 N CA 1.099 54.113 53.050 -0.059 0.000 0.750 562 N CB -1.947 36.517 38.487 -0.037 0.000 1.119 562 N HN 0.836 nan 8.380 nan 0.000 0.561 563 N N 0.333 119.004 118.700 -0.048 0.000 2.519 563 N HA 0.140 4.881 4.740 0.001 0.000 0.286 563 N C 1.051 176.507 175.510 -0.091 0.000 1.079 563 N CA -0.644 52.375 53.050 -0.052 0.000 0.878 563 N CB 0.767 39.249 38.487 -0.007 0.000 1.375 563 N HN 0.113 nan 8.380 nan 0.000 0.514 564 K N 2.146 122.422 120.400 -0.206 0.000 2.442 564 K HA -0.154 4.167 4.320 0.001 0.000 0.199 564 K C 0.154 176.589 176.600 -0.274 0.000 1.044 564 K CA 1.175 57.295 56.287 -0.278 0.000 0.941 564 K CB -0.071 32.209 32.500 -0.367 0.000 0.759 564 K HN 0.632 nan 8.250 nan 0.000 0.472 565 H N 0.102 119.189 119.070 0.029 0.000 2.648 565 H HA 0.307 4.864 4.556 0.001 0.000 0.265 565 H C 0.268 175.678 175.328 0.138 0.000 0.961 565 H CA -0.023 56.068 56.048 0.072 0.000 1.185 565 H CB 0.477 30.271 29.762 0.055 0.000 1.449 565 H HN 0.125 nan 8.280 nan 0.000 0.523 566 I N 1.696 122.387 120.570 0.202 0.000 2.378 566 I HA 0.158 4.329 4.170 0.001 0.000 0.291 566 I C -0.333 175.942 176.117 0.263 0.000 0.992 566 I CA -0.948 60.490 61.300 0.231 0.000 1.154 566 I CB 2.222 40.292 38.000 0.117 0.000 1.315 566 I HN -0.140 nan 8.210 nan 0.000 0.448 567 I N 4.998 125.790 120.570 0.369 0.000 2.499 567 I HA 0.727 4.897 4.170 0.001 0.000 0.296 567 I C 0.276 176.656 176.117 0.439 0.000 0.992 567 I CA 0.242 61.768 61.300 0.377 0.000 1.297 567 I CB 1.503 39.745 38.000 0.404 0.000 1.410 567 I HN 0.617 nan 8.210 nan 0.000 0.507 568 G N 6.066 115.133 108.800 0.445 0.000 2.719 568 G HA2 0.633 4.593 3.960 0.001 0.000 0.298 568 G HA3 0.633 4.593 3.960 0.001 0.000 0.298 568 G C -2.016 173.064 174.900 0.301 0.000 1.411 568 G CA -0.469 44.827 45.100 0.326 0.000 0.991 568 G HN 0.726 nan 8.290 nan 0.000 0.509 569 Y N -0.674 119.626 120.300 -0.001 0.000 2.624 569 Y HA 0.776 5.327 4.550 0.001 0.000 0.334 569 Y C -1.279 174.524 175.900 -0.160 0.000 1.155 569 Y CA -1.818 56.256 58.100 -0.043 0.000 1.046 569 Y CB 1.261 39.671 38.460 -0.083 0.000 1.316 569 Y HN 0.505 nan 8.280 nan 0.000 0.457 570 I N 3.255 123.854 120.570 0.048 0.000 2.465 570 I HA 0.524 4.695 4.170 0.001 0.000 0.291 570 I C -0.825 175.260 176.117 -0.055 0.000 1.014 570 I CA -1.184 60.064 61.300 -0.087 0.000 1.093 570 I CB 1.757 39.712 38.000 -0.075 0.000 1.267 570 I HN 0.509 nan 8.210 nan 0.000 0.431 571 R N 5.129 125.539 120.500 -0.151 0.000 2.393 571 R HA 0.349 4.690 4.340 0.001 0.000 0.310 571 R C 0.136 176.332 176.300 -0.174 0.000 0.968 571 R CA -0.716 55.286 56.100 -0.163 0.000 0.867 571 R CB 0.728 30.857 30.300 -0.285 0.000 1.124 571 R HN 0.637 nan 8.270 nan 0.000 0.450 572 N N 1.838 120.471 118.700 -0.111 0.000 2.696 572 N HA -0.277 4.464 4.740 0.001 0.000 0.249 572 N C -0.588 174.868 175.510 -0.089 0.000 1.090 572 N CA 1.068 54.063 53.050 -0.092 0.000 0.716 572 N CB -0.749 37.675 38.487 -0.104 0.000 1.020 572 N HN 0.776 nan 8.380 nan 0.000 0.548 573 N N -2.234 116.415 118.700 -0.084 0.000 2.693 573 N HA -0.276 4.464 4.740 0.001 0.000 0.249 573 N C 0.524 175.980 175.510 -0.091 0.000 1.119 573 N CA 1.166 54.173 53.050 -0.072 0.000 0.717 573 N CB -0.788 37.674 38.487 -0.042 0.000 1.071 573 N HN 0.705 nan 8.380 nan 0.000 0.555 574 A N -1.620 121.118 122.820 -0.137 0.000 2.530 574 A HA 0.348 4.669 4.320 0.001 0.000 0.214 574 A C -0.267 177.195 177.584 -0.203 0.000 1.352 574 A CA -0.070 51.882 52.037 -0.142 0.000 1.035 574 A CB 0.826 19.752 19.000 -0.124 0.000 1.296 574 A HN 0.166 nan 8.150 nan 0.000 0.563 575 L N 1.473 122.523 121.223 -0.288 0.000 2.404 575 L HA 0.616 4.957 4.340 0.001 0.000 0.272 575 L C -1.853 174.781 176.870 -0.393 0.000 0.980 575 L CA -0.632 53.977 54.840 -0.385 0.000 0.836 575 L CB 1.470 43.124 42.059 -0.674 0.000 1.238 575 L HN 0.238 nan 8.230 nan 0.000 0.408 576 L N 5.425 126.410 121.223 -0.397 0.000 2.265 576 L HA 0.756 5.096 4.340 0.001 0.000 0.289 576 L C -0.280 176.199 176.870 -0.651 0.000 1.033 576 L CA -0.050 54.446 54.840 -0.573 0.000 0.814 576 L CB 1.329 42.998 42.059 -0.649 0.000 1.203 576 L HN 0.711 nan 8.230 nan 0.000 0.423 577 A N 4.763 127.111 122.820 -0.786 0.000 2.305 577 A HA 0.788 5.109 4.320 0.001 0.000 0.322 577 A C -1.264 175.906 177.584 -0.690 0.000 1.187 577 A CA -0.321 51.337 52.037 -0.631 0.000 0.825 577 A CB 0.348 18.853 19.000 -0.825 0.000 1.164 577 A HN 0.566 nan 8.150 nan 0.000 0.498 578 F N 0.740 120.624 119.950 -0.110 0.000 2.540 578 F HA 0.679 5.206 4.527 0.001 0.000 0.317 578 F C 0.662 176.481 175.800 0.032 0.000 1.104 578 F CA -0.842 57.132 58.000 -0.044 0.000 0.913 578 F CB 2.754 41.730 39.000 -0.039 0.000 1.170 578 F HN 0.703 nan 8.300 nan 0.000 0.450 579 G N 1.802 110.796 108.800 0.325 0.000 2.723 579 G HA2 0.337 4.298 3.960 0.001 0.000 0.295 579 G HA3 0.337 4.298 3.960 0.001 0.000 0.295 579 G C -1.724 173.308 174.900 0.220 0.000 1.464 579 G CA -0.722 44.507 45.100 0.215 0.000 1.012 579 G HN 0.472 nan 8.290 nan 0.000 0.522 580 N N 1.897 120.629 118.700 0.054 0.000 2.420 580 N HA 0.301 5.041 4.740 0.001 0.000 0.249 580 N C -0.088 175.382 175.510 -0.066 0.000 1.033 580 N CA -0.968 52.103 53.050 0.036 0.000 0.944 580 N CB 0.522 38.970 38.487 -0.065 0.000 1.113 580 N HN 0.260 nan 8.380 nan 0.000 0.502 581 F N 0.883 120.849 119.950 0.028 0.000 2.692 581 F HA 0.228 4.756 4.527 0.001 0.000 0.303 581 F C 1.388 177.108 175.800 -0.132 0.000 1.114 581 F CA -0.124 57.917 58.000 0.070 0.000 1.361 581 F CB 0.035 39.120 39.000 0.142 0.000 1.063 581 F HN 0.321 nan 8.300 nan 0.000 0.550 582 S N 0.581 116.114 115.700 -0.279 0.000 2.565 582 S HA 0.160 4.630 4.470 0.001 0.000 0.290 582 S C 1.096 175.080 174.600 -1.027 0.000 1.150 582 S CA -0.677 57.223 58.200 -0.500 0.000 1.058 582 S CB 0.834 63.761 63.200 -0.455 0.000 1.032 582 S HN 0.423 nan 8.310 nan 0.000 0.510 583 E N 2.488 122.082 120.200 -1.010 0.000 2.476 583 E HA 0.023 4.374 4.350 0.001 0.000 0.191 583 E C -0.899 175.161 176.600 -0.900 0.000 1.064 583 E CA 0.201 55.884 56.400 -1.195 0.000 0.866 583 E CB -0.194 28.959 29.700 -0.911 0.000 0.952 583 E HN 0.642 nan 8.360 nan 0.000 0.492 584 Y N 0.300 120.376 120.300 -0.373 0.000 2.562 584 Y HA 0.461 5.011 4.550 0.001 0.000 0.343 584 Y C -2.342 173.434 175.900 -0.207 0.000 1.025 584 Y CA -3.348 54.621 58.100 -0.218 0.000 1.082 584 Y CB 0.955 39.312 38.460 -0.172 0.000 1.264 584 Y HN -0.185 nan 8.280 nan 0.000 0.478 585 P HA 0.107 nan 4.420 nan 0.000 0.268 585 P C -0.878 176.413 177.300 -0.014 0.000 1.205 585 P CA 0.022 63.115 63.100 -0.013 0.000 0.771 585 P CB 0.575 32.275 31.700 0.001 0.000 0.858 586 Q N 1.131 120.912 119.800 -0.032 0.000 2.397 586 Q HA 0.504 4.845 4.340 0.001 0.000 0.275 586 Q C -0.680 175.298 176.000 -0.037 0.000 1.090 586 Q CA -0.352 55.446 55.803 -0.008 0.000 0.809 586 Q CB 2.247 30.999 28.738 0.025 0.000 1.362 586 Q HN 0.297 nan 8.270 nan 0.000 0.431 587 T N 0.439 114.974 114.554 -0.032 0.000 2.856 587 T HA 0.570 4.921 4.350 0.001 0.000 0.283 587 T C -0.386 174.263 174.700 -0.084 0.000 1.008 587 T CA -0.504 61.557 62.100 -0.064 0.000 0.997 587 T CB 1.524 70.367 68.868 -0.042 0.000 0.992 587 T HN 0.223 nan 8.240 nan 0.000 0.454 588 V N 3.698 123.528 119.914 -0.140 0.000 2.370 588 V HA 0.406 4.526 4.120 0.001 0.000 0.283 588 V C 0.932 176.990 176.094 -0.060 0.000 1.023 588 V CA -0.929 61.286 62.300 -0.140 0.000 0.857 588 V CB 1.327 32.940 31.823 -0.350 0.000 0.985 588 V HN 1.140 nan 8.190 nan 0.000 0.443 589 T N 2.543 117.097 114.554 0.001 0.000 2.900 589 T HA 0.370 4.720 4.350 0.001 0.000 0.307 589 T C 1.423 176.165 174.700 0.069 0.000 1.065 589 T CA 0.173 62.294 62.100 0.035 0.000 1.105 589 T CB 1.461 70.363 68.868 0.057 0.000 0.979 589 T HN 0.804 nan 8.240 nan 0.000 0.544 590 A N 0.890 123.749 122.820 0.064 0.000 1.972 590 A HA -0.152 4.169 4.320 0.001 0.000 0.219 590 A C 2.282 179.924 177.584 0.096 0.000 1.169 590 A CA 1.715 53.791 52.037 0.065 0.000 0.635 590 A CB -1.299 17.731 19.000 0.050 0.000 0.810 590 A HN 1.088 nan 8.150 nan 0.000 0.446 591 H N 0.041 119.132 119.070 0.035 0.000 2.321 591 H HA -0.105 4.452 4.556 0.001 0.000 0.300 591 H C 1.942 177.303 175.328 0.055 0.000 1.087 591 H CA 2.086 58.156 56.048 0.037 0.000 1.319 591 H CB -0.259 29.514 29.762 0.019 0.000 1.379 591 H HN 0.419 nan 8.280 nan 0.000 0.501 592 T N 1.261 115.949 114.554 0.223 0.000 2.833 592 T HA -0.067 4.284 4.350 0.001 0.000 0.269 592 T C 2.037 176.881 174.700 0.241 0.000 1.054 592 T CA 0.953 63.169 62.100 0.193 0.000 1.135 592 T CB -0.118 68.857 68.868 0.179 0.000 0.869 592 T HN 0.246 nan 8.240 nan 0.000 0.466 593 L N 0.907 122.256 121.223 0.211 0.000 2.611 593 L HA 0.163 4.503 4.340 0.001 0.000 0.229 593 L C 2.317 179.267 176.870 0.133 0.000 1.137 593 L CA 0.107 55.082 54.840 0.225 0.000 0.901 593 L CB -0.394 41.753 42.059 0.148 0.000 1.098 593 L HN 0.238 nan 8.230 nan 0.000 0.456 594 Q N 0.537 120.375 119.800 0.062 0.000 2.197 594 Q HA -0.215 4.126 4.340 0.001 0.000 0.207 594 Q C 2.284 178.313 176.000 0.049 0.000 0.984 594 Q CA 1.737 57.550 55.803 0.017 0.000 0.869 594 Q CB -0.160 28.525 28.738 -0.088 0.000 0.906 594 Q HN 0.622 nan 8.270 nan 0.000 0.426 595 A N -0.322 122.546 122.820 0.081 0.000 2.169 595 A HA 0.031 4.352 4.320 0.001 0.000 0.212 595 A C 0.871 178.508 177.584 0.089 0.000 1.153 595 A CA 0.220 52.306 52.037 0.082 0.000 0.756 595 A CB 0.110 19.168 19.000 0.096 0.000 0.813 595 A HN 0.142 nan 8.150 nan 0.000 0.471 596 M N 0.049 119.709 119.600 0.101 0.000 2.227 596 M HA 0.302 4.783 4.480 0.001 0.000 0.316 596 M C -2.408 173.934 176.300 0.070 0.000 1.144 596 M CA -2.574 52.766 55.300 0.066 0.000 1.121 596 M CB -0.748 31.878 32.600 0.043 0.000 1.440 596 M HN -0.135 nan 8.290 nan 0.000 0.473 597 P HA 0.030 nan 4.420 nan 0.000 0.269 597 P C 0.601 177.984 177.300 0.140 0.000 1.209 597 P CA -0.163 62.995 63.100 0.096 0.000 0.776 597 P CB 0.324 32.065 31.700 0.068 0.000 0.876 598 F N 2.685 122.645 119.950 0.015 0.000 2.085 598 F HA -0.197 4.331 4.527 0.001 0.000 0.299 598 F C 0.734 176.547 175.800 0.023 0.000 1.096 598 F CA 1.885 59.896 58.000 0.018 0.000 1.227 598 F CB 0.070 39.079 39.000 0.015 0.000 0.983 598 F HN 0.197 nan 8.300 nan 0.000 0.482 599 K N -1.129 119.312 120.400 0.069 0.000 2.482 599 K HA 0.716 5.037 4.320 0.001 0.000 0.257 599 K C -1.475 175.147 176.600 0.038 0.000 0.969 599 K CA -0.672 55.598 56.287 -0.028 0.000 0.842 599 K CB 2.270 34.774 32.500 0.007 0.000 1.359 599 K HN -0.014 nan 8.250 nan 0.000 0.441 600 A N 1.041 123.879 122.820 0.030 0.000 2.566 600 A HA 0.306 4.627 4.320 0.001 0.000 0.297 600 A C -1.803 175.836 177.584 0.093 0.000 1.059 600 A CA -0.660 51.411 52.037 0.057 0.000 0.691 600 A CB 1.135 20.147 19.000 0.019 0.000 1.282 600 A HN 0.816 nan 8.150 nan 0.000 0.401 601 H N 1.476 120.560 119.070 0.024 0.000 2.580 601 H HA 0.302 4.859 4.556 0.001 0.000 0.322 601 H C -1.181 174.183 175.328 0.060 0.000 1.082 601 H CA 0.250 56.322 56.048 0.040 0.000 1.383 601 H CB 1.030 30.821 29.762 0.048 0.000 1.450 601 H HN 0.712 nan 8.280 nan 0.000 0.505 602 D N 4.981 125.121 120.400 -0.434 0.000 2.347 602 D HA 0.066 4.707 4.640 0.001 0.000 0.235 602 D C 0.951 177.003 176.300 -0.414 0.000 1.149 602 D CA -0.442 53.392 54.000 -0.277 0.000 0.850 602 D CB 0.707 41.422 40.800 -0.143 0.000 1.061 602 D HN 0.580 nan 8.370 nan 0.000 0.487 603 L N 3.772 124.939 121.223 -0.094 0.000 2.362 603 L HA -0.078 4.262 4.340 0.001 0.000 0.219 603 L C 1.696 178.658 176.870 0.153 0.000 1.134 603 L CA 0.229 55.126 54.840 0.095 0.000 0.807 603 L CB -0.281 41.982 42.059 0.339 0.000 0.927 603 L HN 0.586 nan 8.230 nan 0.000 0.447 604 I N 0.078 120.656 120.570 0.013 0.000 2.270 604 I HA -0.054 4.116 4.170 0.001 0.000 0.239 604 I C 2.534 178.630 176.117 -0.035 0.000 1.080 604 I CA 1.694 62.966 61.300 -0.047 0.000 1.383 604 I CB -1.617 36.228 38.000 -0.259 0.000 1.097 604 I HN 0.183 nan 8.210 nan 0.000 0.420 605 G N -0.515 108.235 108.800 -0.083 0.000 2.551 605 G HA2 0.132 4.093 3.960 0.001 0.000 0.216 605 G HA3 0.132 4.093 3.960 0.001 0.000 0.216 605 G C 1.401 176.260 174.900 -0.067 0.000 1.137 605 G CA 0.740 45.790 45.100 -0.083 0.000 0.798 605 G HN 0.618 nan 8.290 nan 0.000 0.536 606 G N -0.461 108.284 108.800 -0.092 0.000 2.162 606 G HA2 -0.266 3.695 3.960 0.001 0.000 0.260 606 G HA3 -0.266 3.695 3.960 0.001 0.000 0.260 606 G C 0.417 175.363 174.900 0.076 0.000 0.976 606 G CA 0.690 45.792 45.100 0.002 0.000 0.655 606 G HN 0.631 nan 8.290 nan 0.000 0.533 607 K N 0.003 120.382 120.400 -0.034 0.000 2.139 607 K HA 0.599 4.920 4.320 0.001 0.000 0.243 607 K C -0.136 176.502 176.600 0.062 0.000 0.983 607 K CA -0.507 55.806 56.287 0.043 0.000 0.890 607 K CB 1.082 33.586 32.500 0.007 0.000 1.090 607 K HN 0.046 nan 8.250 nan 0.000 0.445 608 T N 1.417 116.034 114.554 0.105 0.000 2.771 608 T HA 0.259 4.609 4.350 0.001 0.000 0.291 608 T C -0.327 174.387 174.700 0.022 0.000 0.954 608 T CA -0.600 61.559 62.100 0.098 0.000 1.045 608 T CB 0.730 69.654 68.868 0.095 0.000 0.917 608 T HN 0.151 nan 8.240 nan 0.000 0.484 609 V N 3.252 123.167 119.914 0.003 0.000 2.483 609 V HA 0.404 4.524 4.120 0.001 0.000 0.295 609 V C 0.260 176.313 176.094 -0.069 0.000 1.035 609 V CA -0.863 61.420 62.300 -0.029 0.000 0.896 609 V CB 1.988 33.801 31.823 -0.016 0.000 0.986 609 V HN 0.909 nan 8.190 nan 0.000 0.447 610 S N 4.746 120.377 115.700 -0.115 0.000 2.452 610 S HA 0.466 4.937 4.470 0.001 0.000 0.284 610 S C 0.665 175.169 174.600 -0.160 0.000 1.171 610 S CA -0.504 57.564 58.200 -0.220 0.000 1.064 610 S CB 0.725 63.762 63.200 -0.272 0.000 0.967 610 S HN 0.594 nan 8.310 nan 0.000 0.484 611 L N 3.058 124.188 121.223 -0.155 0.000 2.667 611 L HA 0.153 4.494 4.340 0.001 0.000 0.232 611 L C 1.604 178.443 176.870 -0.051 0.000 1.138 611 L CA -0.045 54.758 54.840 -0.062 0.000 0.921 611 L CB -0.273 41.782 42.059 -0.007 0.000 1.180 611 L HN 0.620 nan 8.230 nan 0.000 0.487 612 N N 0.681 119.303 118.700 -0.129 0.000 2.314 612 N HA -0.030 4.710 4.740 0.001 0.000 0.200 612 N C 0.066 175.559 175.510 -0.028 0.000 1.135 612 N CA -0.162 52.862 53.050 -0.043 0.000 0.835 612 N CB 0.448 38.918 38.487 -0.027 0.000 0.989 612 N HN 0.550 nan 8.380 nan 0.000 0.478 613 Q N -1.127 118.644 119.800 -0.048 0.000 2.511 613 Q HA 0.363 4.703 4.340 0.001 0.000 0.289 613 Q C -1.754 174.232 176.000 -0.023 0.000 1.021 613 Q CA -0.921 54.866 55.803 -0.027 0.000 0.785 613 Q CB 0.643 29.355 28.738 -0.044 0.000 1.472 613 Q HN -0.227 nan 8.270 nan 0.000 0.411 614 D N 1.272 121.664 120.400 -0.014 0.000 2.583 614 D HA 0.088 4.729 4.640 0.001 0.000 0.232 614 D C -0.859 175.414 176.300 -0.045 0.000 1.128 614 D CA 0.340 54.328 54.000 -0.022 0.000 0.859 614 D CB 0.530 41.319 40.800 -0.017 0.000 1.169 614 D HN 0.387 nan 8.370 nan 0.000 0.481 615 L N 2.860 124.042 121.223 -0.069 0.000 2.276 615 L HA 0.294 4.635 4.340 0.001 0.000 0.286 615 L C -0.448 176.357 176.870 -0.107 0.000 1.024 615 L CA -0.176 54.607 54.840 -0.094 0.000 0.826 615 L CB 1.336 43.314 42.059 -0.134 0.000 1.211 615 L HN 0.154 nan 8.230 nan 0.000 0.422 616 T N 6.519 121.027 114.554 -0.076 0.000 2.749 616 T HA 0.511 4.862 4.350 0.001 0.000 0.287 616 T C -0.071 174.589 174.700 -0.066 0.000 0.970 616 T CA -0.265 61.794 62.100 -0.067 0.000 0.980 616 T CB 0.530 69.371 68.868 -0.044 0.000 0.924 616 T HN 0.406 nan 8.240 nan 0.000 0.456 617 L N 3.646 124.824 121.223 -0.075 0.000 2.289 617 L HA 0.392 4.733 4.340 0.001 0.000 0.285 617 L C 0.763 177.598 176.870 -0.057 0.000 1.049 617 L CA -1.140 53.661 54.840 -0.065 0.000 0.804 617 L CB 1.067 43.083 42.059 -0.072 0.000 1.195 617 L HN 0.409 nan 8.230 nan 0.000 0.428 618 Q N 2.745 122.518 119.800 -0.046 0.000 2.471 618 Q HA 0.230 4.571 4.340 0.001 0.000 0.223 618 Q C -2.179 173.772 176.000 -0.081 0.000 1.045 618 Q CA -1.791 53.988 55.803 -0.040 0.000 0.956 618 Q CB 0.043 28.771 28.738 -0.016 0.000 1.249 618 Q HN 0.289 nan 8.270 nan 0.000 0.549 619 P HA -0.098 nan 4.420 nan 0.000 0.261 619 P C -0.829 176.354 177.300 -0.194 0.000 1.183 619 P CA 0.604 63.532 63.100 -0.286 0.000 0.761 619 P CB -0.043 31.513 31.700 -0.240 0.000 0.785 620 Y N -0.759 119.434 120.300 -0.177 0.000 4.538 620 Y HA -0.283 4.268 4.550 0.001 0.000 0.225 620 Y C 1.022 176.821 175.900 -0.169 0.000 1.074 620 Y CA 0.868 58.840 58.100 -0.213 0.000 1.942 620 Y CB -2.566 35.760 38.460 -0.223 0.000 1.618 620 Y HN 0.443 nan 8.280 nan 0.000 0.642 621 Q N 0.421 120.201 119.800 -0.033 0.000 2.373 621 Q HA 0.492 4.833 4.340 0.001 0.000 0.255 621 Q C -0.549 175.425 176.000 -0.043 0.000 0.980 621 Q CA -0.090 55.691 55.803 -0.037 0.000 0.882 621 Q CB 1.403 30.119 28.738 -0.038 0.000 1.249 621 Q HN 0.234 nan 8.270 nan 0.000 0.438 622 V N 5.539 125.410 119.914 -0.071 0.000 2.604 622 V HA 0.567 4.687 4.120 0.001 0.000 0.305 622 V C -1.101 174.936 176.094 -0.096 0.000 1.043 622 V CA -0.637 61.618 62.300 -0.076 0.000 0.888 622 V CB 1.851 33.570 31.823 -0.173 0.000 0.995 622 V HN 0.946 nan 8.190 nan 0.000 0.429 623 M N 6.627 126.241 119.600 0.024 0.000 2.326 623 M HA 0.475 4.956 4.480 0.001 0.000 0.306 623 M C -1.839 174.591 176.300 0.216 0.000 1.054 623 M CA -0.338 54.998 55.300 0.060 0.000 0.922 623 M CB 2.454 35.139 32.600 0.141 0.000 1.632 623 M HN 0.629 nan 8.290 nan 0.000 0.436 624 W N 5.180 126.455 121.300 -0.043 0.000 2.443 624 W HA 0.508 5.169 4.660 0.001 0.000 0.303 624 W C -1.340 175.126 176.519 -0.089 0.000 0.991 624 W CA -0.989 56.323 57.345 -0.055 0.000 1.522 624 W CB 0.386 29.902 29.460 0.093 0.000 1.315 624 W HN 0.467 nan 8.180 nan 0.000 0.419 625 L N 2.920 124.157 121.223 0.023 0.000 2.276 625 L HA 0.328 4.669 4.340 0.001 0.000 0.286 625 L C 0.842 177.670 176.870 -0.070 0.000 1.061 625 L CA -0.497 54.322 54.840 -0.036 0.000 0.807 625 L CB 0.958 42.968 42.059 -0.082 0.000 1.177 625 L HN 0.151 nan 8.230 nan 0.000 0.429 626 E N 4.578 124.777 120.200 -0.002 0.000 2.052 626 E HA 0.111 4.461 4.350 0.001 0.000 0.283 626 E C 0.661 177.248 176.600 -0.022 0.000 1.071 626 E CA -0.081 56.312 56.400 -0.013 0.000 0.851 626 E CB 0.868 30.608 29.700 0.067 0.000 1.066 626 E HN 0.605 nan 8.360 nan 0.000 0.396 627 I N -0.704 119.824 120.570 -0.069 0.000 3.928 627 I HA 0.496 4.667 4.170 0.001 0.000 0.335 627 I C 0.429 176.524 176.117 -0.037 0.000 1.325 627 I CA -0.322 60.946 61.300 -0.054 0.000 1.107 627 I CB 0.466 38.410 38.000 -0.093 0.000 1.014 627 I HN 0.279 nan 8.210 nan 0.000 0.400 628 A N 0.000 122.796 122.820 -0.039 0.000 2.254 628 A HA 0.000 4.321 4.320 0.001 0.000 0.244 628 A CA 0.000 52.019 52.037 -0.029 0.000 0.836 628 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 628 A HN 0.000 nan 8.150 nan 0.000 0.486