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 1g5a_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 HLMPLFKCPE 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 PAVFFKSEAI 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 AGQIYQDLRH 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 0.000 174.642 174.600 0.070 0.000 1.055 1 S CA 0.000 58.224 58.200 0.040 0.000 1.107 1 S CB 0.000 63.220 63.200 0.033 0.000 0.593 2 P HA 0.387 nan 4.420 nan 0.000 0.274 2 P C -0.891 176.552 177.300 0.238 0.000 1.231 2 P CA -0.424 62.767 63.100 0.151 0.000 0.790 2 P CB 0.236 32.082 31.700 0.244 0.000 0.951 3 N N -1.266 117.533 118.700 0.165 0.000 2.477 3 N HA 0.168 4.908 4.740 0.001 0.000 0.284 3 N C 1.044 176.503 175.510 -0.084 0.000 1.182 3 N CA -0.397 52.737 53.050 0.141 0.000 0.949 3 N CB 0.649 39.192 38.487 0.094 0.000 1.204 3 N HN 0.297 nan 8.380 nan 0.000 0.526 4 S N -0.366 115.222 115.700 -0.186 0.000 2.359 4 S HA -0.363 4.108 4.470 0.001 0.000 0.224 4 S C 1.659 176.130 174.600 -0.214 0.000 1.035 4 S CA 1.431 59.383 58.200 -0.413 0.000 1.018 4 S CB -0.860 62.218 63.200 -0.202 0.000 0.876 4 S HN 0.772 nan 8.310 nan 0.000 0.448 5 Q N -0.108 119.647 119.800 -0.074 0.000 2.061 5 Q HA -0.222 4.118 4.340 0.001 0.000 0.204 5 Q C 2.108 178.118 176.000 0.017 0.000 0.984 5 Q CA 1.808 57.601 55.803 -0.017 0.000 0.846 5 Q CB -0.432 28.317 28.738 0.019 0.000 0.902 5 Q HN 0.758 nan 8.270 nan 0.000 0.421 6 Y N 0.776 121.038 120.300 -0.064 0.000 2.145 6 Y HA -0.221 4.330 4.550 0.001 0.000 0.286 6 Y C 1.758 177.629 175.900 -0.048 0.000 1.145 6 Y CA 1.768 59.843 58.100 -0.042 0.000 1.148 6 Y CB -0.354 38.086 38.460 -0.035 0.000 0.981 6 Y HN 0.127 nan 8.280 nan 0.000 0.507 7 L N 0.168 121.239 121.223 -0.253 0.000 2.131 7 L HA -0.234 4.106 4.340 0.001 0.000 0.210 7 L C 2.448 179.198 176.870 -0.200 0.000 1.092 7 L CA 1.645 56.290 54.840 -0.325 0.000 0.759 7 L CB -0.504 41.371 42.059 -0.306 0.000 0.903 7 L HN 0.177 nan 8.230 nan 0.000 0.435 8 K N -0.428 119.910 120.400 -0.103 0.000 2.148 8 K HA -0.140 4.180 4.320 0.001 0.000 0.204 8 K C 2.154 178.803 176.600 0.082 0.000 1.050 8 K CA 1.813 58.165 56.287 0.109 0.000 0.942 8 K CB -0.247 32.349 32.500 0.161 0.000 0.724 8 K HN 0.472 nan 8.250 nan 0.000 0.446 9 T N -0.974 113.551 114.554 -0.049 0.000 2.881 9 T HA -0.109 4.241 4.350 0.001 0.000 0.270 9 T C 1.881 176.506 174.700 -0.126 0.000 1.068 9 T CA 0.828 62.882 62.100 -0.076 0.000 1.131 9 T CB -0.083 68.737 68.868 -0.081 0.000 0.871 9 T HN 0.162 nan 8.240 nan 0.000 0.479 10 R N 0.061 120.437 120.500 -0.206 0.000 2.127 10 R HA 0.248 4.588 4.340 0.001 0.000 0.217 10 R C 2.373 178.627 176.300 -0.077 0.000 1.074 10 R CA 0.591 56.586 56.100 -0.174 0.000 0.991 10 R CB -0.219 29.917 30.300 -0.273 0.000 0.895 10 R HN 0.332 nan 8.270 nan 0.000 0.450 11 I N 1.137 121.694 120.570 -0.023 0.000 2.226 11 I HA -0.249 3.922 4.170 0.001 0.000 0.245 11 I C 2.020 178.123 176.117 -0.024 0.000 1.100 11 I CA 1.602 62.929 61.300 0.045 0.000 1.374 11 I CB -0.663 37.447 38.000 0.183 0.000 1.057 11 I HN 0.224 nan 8.210 nan 0.000 0.413 12 L N 0.171 121.338 121.223 -0.092 0.000 2.551 12 L HA -0.127 4.214 4.340 0.001 0.000 0.228 12 L C 1.606 178.478 176.870 0.004 0.000 1.153 12 L CA 0.435 55.231 54.840 -0.073 0.000 0.851 12 L CB -0.570 41.323 42.059 -0.277 0.000 0.959 12 L HN 0.179 nan 8.230 nan 0.000 0.451 13 D N 0.787 121.156 120.400 -0.051 0.000 2.350 13 D HA -0.125 4.516 4.640 0.001 0.000 0.216 13 D C 2.087 178.340 176.300 -0.079 0.000 0.968 13 D CA 0.965 54.935 54.000 -0.049 0.000 0.894 13 D CB 0.089 40.859 40.800 -0.050 0.000 0.909 13 D HN 0.555 nan 8.370 nan 0.000 0.520 14 I N -2.941 117.523 120.570 -0.176 0.000 2.928 14 I HA -0.043 4.128 4.170 0.001 0.000 0.266 14 I C 0.138 176.056 176.117 -0.332 0.000 1.234 14 I CA 0.226 61.358 61.300 -0.281 0.000 1.483 14 I CB -0.344 37.417 38.000 -0.398 0.000 1.097 14 I HN -0.253 nan 8.210 nan 0.000 0.455 15 Y N 2.510 122.782 120.300 -0.047 0.000 2.320 15 Y HA 0.372 4.923 4.550 0.001 0.000 0.324 15 Y C 1.418 177.289 175.900 -0.049 0.000 1.190 15 Y CA -0.868 57.202 58.100 -0.049 0.000 1.215 15 Y CB 0.932 39.344 38.460 -0.081 0.000 1.221 15 Y HN 0.024 nan 8.280 nan 0.000 0.486 16 T N -0.765 113.869 114.554 0.132 0.000 2.813 16 T HA 0.107 4.458 4.350 0.001 0.000 0.297 16 T C -1.974 172.753 174.700 0.044 0.000 1.036 16 T CA -1.545 60.591 62.100 0.059 0.000 1.044 16 T CB 0.927 69.821 68.868 0.043 0.000 0.993 16 T HN 0.364 nan 8.240 nan 0.000 0.535 17 P HA -0.129 nan 4.420 nan 0.000 0.216 17 P C 1.510 178.800 177.300 -0.016 0.000 1.153 17 P CA 1.224 64.321 63.100 -0.004 0.000 0.858 17 P CB 0.086 31.783 31.700 -0.005 0.000 0.789 18 E N -0.379 119.816 120.200 -0.008 0.000 2.047 18 E HA -0.229 4.121 4.350 0.001 0.000 0.191 18 E C 2.018 178.598 176.600 -0.034 0.000 0.987 18 E CA 1.091 57.481 56.400 -0.017 0.000 0.799 18 E CB -0.223 29.474 29.700 -0.006 0.000 0.752 18 E HN 0.293 nan 8.360 nan 0.000 0.449 19 Q N 0.090 119.881 119.800 -0.015 0.000 2.079 19 Q HA -0.177 4.164 4.340 0.001 0.000 0.200 19 Q C 2.336 178.223 176.000 -0.187 0.000 0.974 19 Q CA 1.290 57.062 55.803 -0.052 0.000 0.840 19 Q CB -0.247 28.535 28.738 0.074 0.000 0.898 19 Q HN 0.155 nan 8.270 nan 0.000 0.430 20 R N 0.789 121.208 120.500 -0.136 0.000 2.091 20 R HA -0.191 4.150 4.340 0.001 0.000 0.238 20 R C 2.211 178.361 176.300 -0.250 0.000 1.136 20 R CA 1.405 57.363 56.100 -0.236 0.000 0.959 20 R CB -0.325 29.911 30.300 -0.107 0.000 0.856 20 R HN 0.270 nan 8.270 nan 0.000 0.437 21 A N -0.003 122.727 122.820 -0.150 0.000 1.940 21 A HA -0.097 4.223 4.320 0.001 0.000 0.219 21 A C 2.317 179.825 177.584 -0.127 0.000 1.176 21 A CA 1.798 53.765 52.037 -0.118 0.000 0.631 21 A CB -1.152 17.806 19.000 -0.069 0.000 0.814 21 A HN 0.608 nan 8.150 nan 0.000 0.446 22 G N -0.123 108.594 108.800 -0.138 0.000 2.394 22 G HA2 -0.090 3.870 3.960 0.001 0.000 0.215 22 G HA3 -0.090 3.870 3.960 0.001 0.000 0.215 22 G C 1.405 176.213 174.900 -0.153 0.000 1.165 22 G CA 0.973 46.004 45.100 -0.116 0.000 0.784 22 G HN 0.347 nan 8.290 nan 0.000 0.535 23 I N 1.410 121.803 120.570 -0.295 0.000 2.163 23 I HA -0.124 4.046 4.170 0.001 0.000 0.243 23 I C 2.567 178.483 176.117 -0.335 0.000 1.085 23 I CA 1.094 62.172 61.300 -0.369 0.000 1.347 23 I CB -1.095 36.436 38.000 -0.781 0.000 1.044 23 I HN 0.295 nan 8.210 nan 0.000 0.408 24 E N 0.832 120.792 120.200 -0.400 0.000 2.267 24 E HA -0.210 4.141 4.350 0.001 0.000 0.197 24 E C 1.807 178.429 176.600 0.036 0.000 0.998 24 E CA 0.919 57.174 56.400 -0.241 0.000 0.830 24 E CB -0.056 29.530 29.700 -0.190 0.000 0.751 24 E HN 0.563 nan 8.360 nan 0.000 0.491 25 K N 0.834 121.236 120.400 0.003 0.000 2.367 25 K HA 0.040 4.361 4.320 0.001 0.000 0.194 25 K C 0.926 177.578 176.600 0.087 0.000 1.027 25 K CA -0.044 56.273 56.287 0.049 0.000 1.075 25 K CB 0.500 33.009 32.500 0.014 0.000 0.845 25 K HN -0.029 nan 8.250 nan 0.000 0.529 26 S N 0.843 116.611 115.700 0.113 0.000 2.585 26 S HA 0.016 4.487 4.470 0.001 0.000 0.273 26 S C 1.111 175.841 174.600 0.216 0.000 1.339 26 S CA -0.499 57.796 58.200 0.157 0.000 1.028 26 S CB 1.656 64.969 63.200 0.189 0.000 0.906 26 S HN 0.119 nan 8.310 nan 0.000 0.528 27 E N 1.324 121.633 120.200 0.181 0.000 2.106 27 E HA -0.139 4.212 4.350 0.001 0.000 0.192 27 E C 1.118 177.882 176.600 0.273 0.000 0.984 27 E CA 1.765 58.274 56.400 0.181 0.000 0.806 27 E CB -0.425 29.353 29.700 0.130 0.000 0.750 27 E HN 0.761 nan 8.360 nan 0.000 0.458 28 D N -0.301 120.309 120.400 0.351 0.000 2.117 28 D HA -0.175 4.466 4.640 0.001 0.000 0.197 28 D C 1.548 178.290 176.300 0.737 0.000 0.987 28 D CA 0.974 55.308 54.000 0.556 0.000 0.829 28 D CB -0.605 40.472 40.800 0.462 0.000 0.961 28 D HN 0.400 nan 8.370 nan 0.000 0.460 29 W N 2.147 123.689 121.300 0.403 0.000 2.388 29 W HA -0.136 4.525 4.660 0.001 0.000 0.294 29 W C 2.241 178.833 176.519 0.123 0.000 1.212 29 W CA 0.871 58.269 57.345 0.087 0.000 1.271 29 W CB -0.079 29.283 29.460 -0.163 0.000 1.126 29 W HN -0.052 nan 8.180 nan 0.000 0.535 30 R N 0.489 121.076 120.500 0.144 0.000 2.083 30 R HA -0.219 4.121 4.340 0.001 0.000 0.237 30 R C 2.265 178.534 176.300 -0.051 0.000 1.137 30 R CA 1.890 57.996 56.100 0.010 0.000 0.951 30 R CB -0.586 29.766 30.300 0.086 0.000 0.851 30 R HN 0.158 nan 8.270 nan 0.000 0.434 31 Q N -0.318 119.521 119.800 0.065 0.000 2.079 31 Q HA -0.173 4.167 4.340 0.001 0.000 0.200 31 Q C 1.957 177.892 176.000 -0.108 0.000 0.974 31 Q CA 1.413 57.231 55.803 0.024 0.000 0.840 31 Q CB -0.350 28.485 28.738 0.163 0.000 0.898 31 Q HN 0.357 nan 8.270 nan 0.000 0.430 32 F N 1.680 121.483 119.950 -0.245 0.000 2.134 32 F HA -0.188 4.340 4.527 0.001 0.000 0.299 32 F C 2.338 177.842 175.800 -0.493 0.000 1.097 32 F CA 1.426 59.205 58.000 -0.369 0.000 1.264 32 F CB -0.130 38.782 39.000 -0.148 0.000 1.001 32 F HN -0.067 nan 8.300 nan 0.000 0.479 33 S N 0.457 115.773 115.700 -0.641 0.000 2.368 33 S HA -0.227 4.244 4.470 0.001 0.000 0.225 33 S C 2.082 176.421 174.600 -0.436 0.000 1.030 33 S CA 1.392 59.169 58.200 -0.705 0.000 0.999 33 S CB -0.471 62.281 63.200 -0.747 0.000 0.844 33 S HN 0.450 nan 8.310 nan 0.000 0.459 34 R N 1.272 121.585 120.500 -0.312 0.000 2.073 34 R HA -0.030 4.311 4.340 0.001 0.000 0.234 34 R C 2.344 178.510 176.300 -0.223 0.000 1.134 34 R CA 1.366 57.338 56.100 -0.214 0.000 0.952 34 R CB -0.153 30.063 30.300 -0.141 0.000 0.850 34 R HN 0.259 nan 8.270 nan 0.000 0.433 35 R N -0.376 119.979 120.500 -0.242 0.000 2.120 35 R HA -0.049 4.292 4.340 0.001 0.000 0.234 35 R C 2.421 178.610 176.300 -0.184 0.000 1.123 35 R CA 1.421 57.433 56.100 -0.146 0.000 0.975 35 R CB -0.161 30.046 30.300 -0.155 0.000 0.866 35 R HN 0.273 nan 8.270 nan 0.000 0.446 36 M N 0.753 120.113 119.600 -0.399 0.000 2.086 36 M HA -0.161 4.319 4.480 0.001 0.000 0.261 36 M C 1.306 177.517 176.300 -0.148 0.000 1.067 36 M CA 1.683 56.778 55.300 -0.342 0.000 1.116 36 M CB -0.647 31.614 32.600 -0.566 0.000 1.348 36 M HN 0.044 nan 8.290 nan 0.000 0.407 37 D N -0.385 119.901 120.400 -0.189 0.000 2.144 37 D HA -0.108 4.533 4.640 0.001 0.000 0.199 37 D C 1.904 178.129 176.300 -0.125 0.000 0.984 37 D CA 1.516 55.444 54.000 -0.120 0.000 0.834 37 D CB -0.272 40.449 40.800 -0.131 0.000 0.955 37 D HN 0.339 nan 8.370 nan 0.000 0.465 38 T N -0.250 114.171 114.554 -0.221 0.000 2.851 38 T HA -0.062 4.288 4.350 0.001 0.000 0.262 38 T C 1.469 175.897 174.700 -0.455 0.000 1.043 38 T CA 0.833 62.704 62.100 -0.381 0.000 1.140 38 T CB -0.003 68.510 68.868 -0.591 0.000 0.872 38 T HN 0.322 nan 8.240 nan 0.000 0.446 39 H N -0.939 118.087 119.070 -0.073 0.000 2.654 39 H HA 0.278 4.835 4.556 0.001 0.000 0.264 39 H C 1.783 177.082 175.328 -0.049 0.000 0.954 39 H CA -0.136 55.870 56.048 -0.071 0.000 1.199 39 H CB -0.138 29.569 29.762 -0.091 0.000 1.446 39 H HN 0.286 nan 8.280 nan 0.000 0.516 40 F N 3.283 123.212 119.950 -0.036 0.000 2.126 40 F HA -0.043 4.485 4.527 0.001 0.000 0.299 40 F C -0.915 174.866 175.800 -0.033 0.000 1.096 40 F CA 0.426 58.402 58.000 -0.040 0.000 1.255 40 F CB -0.919 38.041 39.000 -0.067 0.000 0.997 40 F HN 0.043 nan 8.300 nan 0.000 0.479 41 P HA -0.213 nan 4.420 nan 0.000 0.216 41 P C 1.275 178.409 177.300 -0.277 0.000 1.150 41 P CA 2.256 65.225 63.100 -0.219 0.000 0.843 41 P CB -0.091 31.563 31.700 -0.077 0.000 0.787 42 K N -1.090 119.191 120.400 -0.198 0.000 2.057 42 K HA -0.121 4.200 4.320 0.001 0.000 0.206 42 K C 1.977 178.444 176.600 -0.222 0.000 1.050 42 K CA 0.989 57.180 56.287 -0.161 0.000 0.935 42 K CB -0.898 31.557 32.500 -0.075 0.000 0.715 42 K HN 0.049 nan 8.250 nan 0.000 0.439 43 L N 1.050 122.105 121.223 -0.280 0.000 2.012 43 L HA -0.166 4.174 4.340 0.001 0.000 0.210 43 L C 2.310 178.941 176.870 -0.399 0.000 1.073 43 L CA 1.660 56.328 54.840 -0.288 0.000 0.748 43 L CB -0.409 41.512 42.059 -0.230 0.000 0.891 43 L HN 0.140 nan 8.230 nan 0.000 0.431 44 M N -0.236 118.968 119.600 -0.660 0.000 2.086 44 M HA -0.216 4.265 4.480 0.001 0.000 0.261 44 M C 2.125 178.248 176.300 -0.296 0.000 1.067 44 M CA 1.923 56.908 55.300 -0.524 0.000 1.116 44 M CB -0.914 31.278 32.600 -0.680 0.000 1.348 44 M HN 0.527 nan 8.290 nan 0.000 0.407 45 N N -0.469 118.069 118.700 -0.270 0.000 2.120 45 N HA -0.194 4.547 4.740 0.001 0.000 0.188 45 N C 1.390 176.786 175.510 -0.190 0.000 1.024 45 N CA 1.505 54.441 53.050 -0.189 0.000 0.852 45 N CB -0.005 38.386 38.487 -0.160 0.000 1.003 45 N HN 0.380 nan 8.380 nan 0.000 0.424 46 E N 1.161 121.238 120.200 -0.206 0.000 2.047 46 E HA -0.112 4.239 4.350 0.001 0.000 0.191 46 E C 2.294 178.731 176.600 -0.271 0.000 0.987 46 E CA 0.535 56.806 56.400 -0.216 0.000 0.799 46 E CB -0.451 29.137 29.700 -0.188 0.000 0.752 46 E HN 0.475 nan 8.360 nan 0.000 0.449 47 L N 0.779 121.837 121.223 -0.276 0.000 2.083 47 L HA -0.199 4.142 4.340 0.001 0.000 0.209 47 L C 2.335 179.106 176.870 -0.164 0.000 1.083 47 L CA 1.493 56.183 54.840 -0.249 0.000 0.752 47 L CB -0.376 41.555 42.059 -0.214 0.000 0.899 47 L HN 0.115 nan 8.230 nan 0.000 0.433 48 D N -0.305 120.005 120.400 -0.151 0.000 2.144 48 D HA -0.195 4.446 4.640 0.001 0.000 0.200 48 D C 2.245 178.458 176.300 -0.145 0.000 0.978 48 D CA 1.261 55.196 54.000 -0.109 0.000 0.833 48 D CB 0.160 40.902 40.800 -0.097 0.000 0.961 48 D HN 0.271 nan 8.370 nan 0.000 0.470 49 S N -0.942 114.641 115.700 -0.194 0.000 2.447 49 S HA -0.090 4.381 4.470 0.001 0.000 0.233 49 S C 1.874 176.291 174.600 -0.306 0.000 1.006 49 S CA 1.008 59.080 58.200 -0.215 0.000 0.957 49 S CB -0.118 62.954 63.200 -0.214 0.000 0.773 49 S HN 0.184 nan 8.310 nan 0.000 0.507 50 V N -0.420 119.238 119.914 -0.427 0.000 2.521 50 V HA 0.144 4.265 4.120 0.001 0.000 0.239 50 V C 1.857 177.614 176.094 -0.561 0.000 1.053 50 V CA 0.894 62.783 62.300 -0.685 0.000 1.073 50 V CB -0.770 30.419 31.823 -1.058 0.000 0.746 50 V HN 0.464 nan 8.190 nan 0.000 0.476 51 Y N 0.921 121.132 120.300 -0.147 0.000 2.510 51 Y HA 0.482 5.033 4.550 0.001 0.000 0.273 51 Y C 1.895 177.760 175.900 -0.059 0.000 1.119 51 Y CA 0.172 58.225 58.100 -0.078 0.000 1.286 51 Y CB -0.652 37.737 38.460 -0.119 0.000 1.061 51 Y HN 0.319 nan 8.280 nan 0.000 0.542 52 G N 1.322 110.140 108.800 0.030 0.000 2.651 52 G HA2 -0.430 3.531 3.960 0.001 0.000 0.315 52 G HA3 -0.430 3.531 3.960 0.001 0.000 0.315 52 G C 0.617 175.534 174.900 0.028 0.000 1.258 52 G CA 0.725 45.833 45.100 0.012 0.000 1.002 52 G HN 0.515 nan 8.290 nan 0.000 0.551 53 N N 1.822 120.539 118.700 0.028 0.000 2.375 53 N HA 0.086 4.826 4.740 0.001 0.000 0.220 53 N C 0.459 175.986 175.510 0.028 0.000 1.170 53 N CA -0.182 52.882 53.050 0.023 0.000 0.833 53 N CB -0.030 38.468 38.487 0.019 0.000 1.069 53 N HN 0.449 nan 8.380 nan 0.000 0.479 54 N N 2.144 120.867 118.700 0.039 0.000 2.412 54 N HA -0.096 4.644 4.740 0.001 0.000 0.258 54 N C 1.045 176.549 175.510 -0.009 0.000 1.236 54 N CA 0.261 53.325 53.050 0.024 0.000 0.882 54 N CB 0.930 39.430 38.487 0.021 0.000 1.066 54 N HN 0.305 nan 8.380 nan 0.000 0.465 55 E N 3.667 123.871 120.200 0.008 0.000 2.209 55 E HA -0.148 4.202 4.350 0.001 0.000 0.196 55 E C 1.339 177.937 176.600 -0.003 0.000 0.993 55 E CA 1.749 58.158 56.400 0.016 0.000 0.819 55 E CB -0.345 29.381 29.700 0.042 0.000 0.745 55 E HN 0.538 nan 8.360 nan 0.000 0.477 56 A N 0.421 123.208 122.820 -0.055 0.000 2.167 56 A HA 0.138 4.459 4.320 0.001 0.000 0.214 56 A C 1.979 179.346 177.584 -0.362 0.000 1.151 56 A CA 0.661 52.605 52.037 -0.156 0.000 0.735 56 A CB -0.492 18.368 19.000 -0.234 0.000 0.802 56 A HN 0.291 nan 8.150 nan 0.000 0.467 57 L N -0.446 120.613 121.223 -0.274 0.000 1.970 57 L HA -0.166 4.175 4.340 0.001 0.000 0.212 57 L C 2.219 178.987 176.870 -0.171 0.000 1.071 57 L CA 2.245 56.921 54.840 -0.273 0.000 0.751 57 L CB -0.726 41.253 42.059 -0.133 0.000 0.889 57 L HN 0.354 nan 8.230 nan 0.000 0.432 58 L N 0.710 121.894 121.223 -0.065 0.000 1.989 58 L HA -0.091 4.249 4.340 0.001 0.000 0.211 58 L C -0.547 176.335 176.870 0.020 0.000 1.071 58 L CA 2.264 57.111 54.840 0.012 0.000 0.749 58 L CB -1.943 40.147 42.059 0.051 0.000 0.890 58 L HN 0.260 nan 8.230 nan 0.000 0.431 59 P HA -0.228 nan 4.420 nan 0.000 0.217 59 P C 1.983 179.332 177.300 0.080 0.000 1.150 59 P CA 1.608 64.775 63.100 0.112 0.000 0.832 59 P CB -0.363 31.468 31.700 0.220 0.000 0.787 60 M N -0.448 118.999 119.600 -0.255 0.000 2.099 60 M HA -0.112 4.368 4.480 0.001 0.000 0.262 60 M C 2.041 178.293 176.300 -0.080 0.000 1.067 60 M CA 1.545 56.574 55.300 -0.451 0.000 1.124 60 M CB -1.420 30.580 32.600 -0.999 0.000 1.353 60 M HN -0.132 nan 8.290 nan 0.000 0.410 61 L N 1.339 122.530 121.223 -0.053 0.000 2.046 61 L HA -0.166 4.175 4.340 0.001 0.000 0.208 61 L C 2.118 179.071 176.870 0.138 0.000 1.077 61 L CA 1.982 56.868 54.840 0.076 0.000 0.747 61 L CB -0.823 41.296 42.059 0.100 0.000 0.896 61 L HN 0.377 nan 8.230 nan 0.000 0.432 62 E N -0.990 119.281 120.200 0.118 0.000 2.110 62 E HA -0.280 4.071 4.350 0.001 0.000 0.193 62 E C 2.156 178.846 176.600 0.149 0.000 0.988 62 E CA 1.531 58.005 56.400 0.122 0.000 0.804 62 E CB -0.261 29.497 29.700 0.097 0.000 0.745 62 E HN 0.586 nan 8.360 nan 0.000 0.458 63 M N 0.792 120.494 119.600 0.171 0.000 2.132 63 M HA -0.153 4.328 4.480 0.001 0.000 0.263 63 M C 2.282 178.704 176.300 0.204 0.000 1.065 63 M CA 1.036 56.454 55.300 0.197 0.000 1.122 63 M CB 0.042 32.807 32.600 0.276 0.000 1.365 63 M HN 0.136 nan 8.290 nan 0.000 0.411 64 L N 0.854 122.204 121.223 0.212 0.000 2.046 64 L HA -0.142 4.199 4.340 0.001 0.000 0.208 64 L C 1.955 178.981 176.870 0.261 0.000 1.077 64 L CA 1.844 56.825 54.840 0.234 0.000 0.747 64 L CB -0.712 41.499 42.059 0.252 0.000 0.896 64 L HN 0.369 nan 8.230 nan 0.000 0.432 65 L N -0.736 120.647 121.223 0.267 0.000 2.093 65 L HA -0.139 4.202 4.340 0.001 0.000 0.208 65 L C 2.658 179.738 176.870 0.350 0.000 1.085 65 L CA 1.016 56.055 54.840 0.332 0.000 0.755 65 L CB -0.959 41.267 42.059 0.278 0.000 0.904 65 L HN 0.371 nan 8.230 nan 0.000 0.435 66 A N -0.261 122.718 122.820 0.264 0.000 1.902 66 A HA -0.235 4.085 4.320 0.001 0.000 0.217 66 A C 2.238 179.965 177.584 0.239 0.000 1.181 66 A CA 1.477 53.664 52.037 0.249 0.000 0.623 66 A CB -0.407 18.694 19.000 0.168 0.000 0.818 66 A HN 0.468 nan 8.150 nan 0.000 0.443 67 Q N -0.665 119.260 119.800 0.209 0.000 2.119 67 Q HA -0.047 4.294 4.340 0.001 0.000 0.201 67 Q C 2.410 178.523 176.000 0.190 0.000 0.972 67 Q CA 1.216 57.123 55.803 0.174 0.000 0.847 67 Q CB -0.377 28.467 28.738 0.177 0.000 0.903 67 Q HN 0.678 nan 8.270 nan 0.000 0.433 68 A N 1.189 124.171 122.820 0.269 0.000 1.902 68 A HA -0.199 4.121 4.320 0.001 0.000 0.217 68 A C 1.757 179.513 177.584 0.286 0.000 1.181 68 A CA 1.103 53.338 52.037 0.330 0.000 0.623 68 A CB -1.134 18.142 19.000 0.461 0.000 0.818 68 A HN 0.739 nan 8.150 nan 0.000 0.443 69 W N 0.445 121.714 121.300 -0.051 0.000 2.355 69 W HA -0.197 4.464 4.660 0.001 0.000 0.309 69 W C 1.887 178.356 176.519 -0.085 0.000 1.206 69 W CA 1.625 58.709 57.345 -0.434 0.000 1.284 69 W CB -0.204 29.016 29.460 -0.400 0.000 1.145 69 W HN 0.355 nan 8.180 nan 0.000 0.502 70 Q N 0.449 120.067 119.800 -0.304 0.000 2.084 70 Q HA -0.199 4.141 4.340 0.001 0.000 0.202 70 Q C 2.319 178.157 176.000 -0.270 0.000 0.978 70 Q CA 1.910 57.480 55.803 -0.389 0.000 0.844 70 Q CB -1.126 27.537 28.738 -0.126 0.000 0.898 70 Q HN 0.277 nan 8.270 nan 0.000 0.426 71 S N -0.219 115.431 115.700 -0.083 0.000 2.356 71 S HA -0.179 4.292 4.470 0.001 0.000 0.223 71 S C 1.868 176.448 174.600 -0.033 0.000 1.032 71 S CA 0.999 59.195 58.200 -0.007 0.000 1.005 71 S CB -0.291 62.971 63.200 0.103 0.000 0.867 71 S HN 0.457 nan 8.310 nan 0.000 0.449 72 Y N 1.712 121.944 120.300 -0.112 0.000 2.242 72 Y HA -0.006 4.544 4.550 0.001 0.000 0.291 72 Y C 2.811 178.580 175.900 -0.218 0.000 1.137 72 Y CA 1.630 59.688 58.100 -0.070 0.000 1.181 72 Y CB -0.968 37.563 38.460 0.117 0.000 0.989 72 Y HN 0.356 nan 8.280 nan 0.000 0.527 73 S N -0.304 115.034 115.700 -0.602 0.000 2.370 73 S HA -0.261 4.210 4.470 0.001 0.000 0.226 73 S C 1.851 176.197 174.600 -0.422 0.000 1.033 73 S CA 1.895 59.679 58.200 -0.694 0.000 1.011 73 S CB -0.270 62.312 63.200 -1.031 0.000 0.852 73 S HN 0.716 nan 8.310 nan 0.000 0.457 74 Q N 0.259 119.864 119.800 -0.325 0.000 2.245 74 Q HA 0.095 4.435 4.340 0.001 0.000 0.201 74 Q C 0.995 176.886 176.000 -0.181 0.000 0.955 74 Q CA 0.188 55.871 55.803 -0.200 0.000 0.870 74 Q CB -0.058 28.602 28.738 -0.129 0.000 0.945 74 Q HN 0.427 nan 8.270 nan 0.000 0.461 75 R N 2.632 122.997 120.500 -0.226 0.000 2.523 75 R HA -0.084 4.256 4.340 0.001 0.000 0.281 75 R C -0.045 176.146 176.300 -0.182 0.000 0.969 75 R CA 0.009 55.995 56.100 -0.190 0.000 1.093 75 R CB 0.224 30.386 30.300 -0.230 0.000 0.917 75 R HN 0.134 nan 8.270 nan 0.000 0.408 76 N N 2.028 120.661 118.700 -0.112 0.000 2.454 76 N HA -0.081 4.659 4.740 0.001 0.000 0.254 76 N C 0.267 175.723 175.510 -0.091 0.000 1.228 76 N CA 0.348 53.346 53.050 -0.087 0.000 0.900 76 N CB 0.975 39.431 38.487 -0.052 0.000 1.089 76 N HN 0.570 nan 8.380 nan 0.000 0.449 77 S N 1.726 117.379 115.700 -0.078 0.000 2.387 77 S HA -0.198 4.273 4.470 0.001 0.000 0.230 77 S C 1.995 176.566 174.600 -0.050 0.000 1.035 77 S CA 1.744 59.906 58.200 -0.064 0.000 1.014 77 S CB -0.272 62.900 63.200 -0.046 0.000 0.836 77 S HN 0.835 nan 8.310 nan 0.000 0.466 78 S N 2.039 117.712 115.700 -0.045 0.000 2.382 78 S HA 0.028 4.498 4.470 0.001 0.000 0.228 78 S C 1.780 176.341 174.600 -0.064 0.000 1.027 78 S CA 0.810 58.981 58.200 -0.048 0.000 0.991 78 S CB -0.671 62.508 63.200 -0.034 0.000 0.823 78 S HN 0.461 nan 8.310 nan 0.000 0.469 79 L N 0.667 121.856 121.223 -0.056 0.000 2.156 79 L HA 0.063 4.403 4.340 0.001 0.000 0.208 79 L C 2.688 179.535 176.870 -0.039 0.000 1.095 79 L CA 1.092 55.898 54.840 -0.058 0.000 0.770 79 L CB -0.431 41.607 42.059 -0.034 0.000 0.914 79 L HN 0.293 nan 8.230 nan 0.000 0.439 80 K N -0.057 120.325 120.400 -0.030 0.000 2.211 80 K HA -0.137 4.184 4.320 0.001 0.000 0.203 80 K C 1.507 178.116 176.600 0.016 0.000 1.050 80 K CA 1.050 57.350 56.287 0.023 0.000 0.945 80 K CB -0.041 32.455 32.500 -0.007 0.000 0.732 80 K HN 0.278 nan 8.250 nan 0.000 0.451 81 D N 0.908 121.292 120.400 -0.026 0.000 2.149 81 D HA -0.077 4.563 4.640 0.001 0.000 0.201 81 D C 1.835 178.091 176.300 -0.074 0.000 0.972 81 D CA 0.947 54.923 54.000 -0.040 0.000 0.835 81 D CB 0.002 40.771 40.800 -0.052 0.000 0.966 81 D HN 0.202 nan 8.370 nan 0.000 0.476 82 I N 1.222 121.726 120.570 -0.109 0.000 2.394 82 I HA -0.194 3.977 4.170 0.001 0.000 0.251 82 I C 1.814 177.845 176.117 -0.144 0.000 1.136 82 I CA 0.769 61.962 61.300 -0.178 0.000 1.425 82 I CB -0.144 37.710 38.000 -0.244 0.000 1.079 82 I HN -0.163 nan 8.210 nan 0.000 0.425 83 D N 1.425 121.788 120.400 -0.062 0.000 2.104 83 D HA -0.171 4.470 4.640 0.001 0.000 0.194 83 D C 2.264 178.555 176.300 -0.015 0.000 0.994 83 D CA 1.520 55.514 54.000 -0.010 0.000 0.830 83 D CB -0.203 40.645 40.800 0.080 0.000 0.959 83 D HN 0.341 nan 8.370 nan 0.000 0.452 84 I N 1.142 121.707 120.570 -0.008 0.000 2.252 84 I HA -0.236 3.934 4.170 0.001 0.000 0.245 84 I C 2.533 178.627 176.117 -0.038 0.000 1.102 84 I CA 0.904 62.199 61.300 -0.008 0.000 1.385 84 I CB -0.237 37.765 38.000 0.003 0.000 1.064 84 I HN -0.083 nan 8.210 nan 0.000 0.414 85 A N 0.996 123.771 122.820 -0.076 0.000 1.883 85 A HA -0.220 4.101 4.320 0.001 0.000 0.217 85 A C 2.397 179.907 177.584 -0.122 0.000 1.186 85 A CA 1.672 53.645 52.037 -0.106 0.000 0.624 85 A CB -0.572 18.334 19.000 -0.156 0.000 0.822 85 A HN 0.332 nan 8.150 nan 0.000 0.444 86 R N -0.692 119.707 120.500 -0.169 0.000 2.153 86 R HA -0.021 4.320 4.340 0.001 0.000 0.218 86 R C 2.022 178.344 176.300 0.037 0.000 1.072 86 R CA 1.005 57.014 56.100 -0.150 0.000 0.990 86 R CB -0.200 29.917 30.300 -0.305 0.000 0.889 86 R HN 0.657 nan 8.270 nan 0.000 0.452 87 E N 0.997 121.211 120.200 0.023 0.000 2.118 87 E HA -0.185 4.166 4.350 0.001 0.000 0.195 87 E C 0.714 177.329 176.600 0.025 0.000 0.992 87 E CA 1.484 57.906 56.400 0.038 0.000 0.804 87 E CB -0.037 29.675 29.700 0.019 0.000 0.741 87 E HN 0.486 nan 8.360 nan 0.000 0.458 88 N N -0.376 118.329 118.700 0.009 0.000 2.235 88 N HA -0.021 4.719 4.740 0.001 0.000 0.209 88 N C -0.225 175.295 175.510 0.017 0.000 1.122 88 N CA 0.045 53.098 53.050 0.005 0.000 0.845 88 N CB 0.434 38.920 38.487 -0.002 0.000 1.004 88 N HN -0.115 nan 8.380 nan 0.000 0.499 89 N N 0.344 119.069 118.700 0.042 0.000 2.673 89 N HA 0.228 4.969 4.740 0.001 0.000 0.265 89 N C -2.142 173.488 175.510 0.201 0.000 1.709 89 N CA -1.574 51.528 53.050 0.086 0.000 0.792 89 N CB 0.980 39.500 38.487 0.055 0.000 1.286 89 N HN -0.089 nan 8.380 nan 0.000 0.506 90 P HA -0.027 nan 4.420 nan 0.000 0.222 90 P C -0.227 177.222 177.300 0.249 0.000 1.147 90 P CA 1.017 64.252 63.100 0.225 0.000 0.790 90 P CB 0.445 32.065 31.700 -0.133 0.000 0.780 91 D N -0.751 119.767 120.400 0.197 0.000 2.336 91 D HA -0.016 4.625 4.640 0.001 0.000 0.228 91 D C 1.700 178.038 176.300 0.064 0.000 1.120 91 D CA -0.142 53.935 54.000 0.127 0.000 0.839 91 D CB -0.849 40.038 40.800 0.146 0.000 0.932 91 D HN 0.407 nan 8.370 nan 0.000 0.509 92 W N 1.344 122.620 121.300 -0.039 0.000 2.392 92 W HA -0.145 4.516 4.660 0.001 0.000 0.279 92 W C 1.364 177.841 176.519 -0.070 0.000 1.225 92 W CA 0.512 57.809 57.345 -0.080 0.000 1.233 92 W CB -1.102 28.263 29.460 -0.158 0.000 1.122 92 W HN 0.089 nan 8.180 nan 0.000 0.561 93 I N -0.866 119.157 120.570 -0.911 0.000 2.830 93 I HA -0.065 4.105 4.170 0.001 0.000 0.263 93 I C 1.928 177.838 176.117 -0.345 0.000 1.230 93 I CA 1.112 61.896 61.300 -0.859 0.000 1.480 93 I CB -0.719 36.768 38.000 -0.855 0.000 1.095 93 I HN -0.088 nan 8.210 nan 0.000 0.455 94 L N 0.682 121.790 121.223 -0.193 0.000 2.607 94 L HA 0.212 4.552 4.340 0.001 0.000 0.228 94 L C 1.283 178.134 176.870 -0.032 0.000 1.123 94 L CA -0.151 54.638 54.840 -0.086 0.000 0.890 94 L CB 0.112 42.143 42.059 -0.047 0.000 1.103 94 L HN 0.199 nan 8.230 nan 0.000 0.468 95 S N 0.993 116.680 115.700 -0.021 0.000 2.549 95 S HA -0.020 4.451 4.470 0.001 0.000 0.283 95 S C 1.482 176.091 174.600 0.016 0.000 1.320 95 S CA -0.562 57.650 58.200 0.020 0.000 1.058 95 S CB 0.454 63.685 63.200 0.052 0.000 0.882 95 S HN 0.459 nan 8.310 nan 0.000 0.498 96 N N 4.721 123.440 118.700 0.032 0.000 2.520 96 N HA -0.102 4.638 4.740 0.001 0.000 0.185 96 N C 0.909 176.421 175.510 0.003 0.000 1.068 96 N CA 0.665 53.732 53.050 0.029 0.000 0.911 96 N CB -0.143 38.387 38.487 0.072 0.000 0.961 96 N HN 0.614 nan 8.380 nan 0.000 0.446 97 K N -0.173 120.239 120.400 0.019 0.000 2.365 97 K HA 0.037 4.358 4.320 0.001 0.000 0.199 97 K C 0.244 176.858 176.600 0.023 0.000 1.045 97 K CA 0.441 56.740 56.287 0.020 0.000 0.962 97 K CB 0.148 32.671 32.500 0.038 0.000 0.759 97 K HN 0.257 nan 8.250 nan 0.000 0.469 98 Q N 0.951 120.763 119.800 0.019 0.000 2.286 98 Q HA 0.244 4.585 4.340 0.001 0.000 0.257 98 Q C -0.731 175.254 176.000 -0.026 0.000 0.941 98 Q CA -0.017 55.795 55.803 0.015 0.000 0.912 98 Q CB 1.812 30.546 28.738 -0.008 0.000 1.192 98 Q HN -0.155 nan 8.270 nan 0.000 0.410 99 V N 1.277 121.180 119.914 -0.020 0.000 2.711 99 V HA 0.630 4.751 4.120 0.001 0.000 0.304 99 V C 0.031 176.099 176.094 -0.043 0.000 1.097 99 V CA -0.855 61.419 62.300 -0.042 0.000 0.906 99 V CB 2.168 33.982 31.823 -0.016 0.000 1.015 99 V HN 0.850 nan 8.190 nan 0.000 0.427 100 G N 2.066 110.784 108.800 -0.138 0.000 2.537 100 G HA2 0.852 4.813 3.960 0.001 0.000 0.323 100 G HA3 0.852 4.813 3.960 0.001 0.000 0.323 100 G C -0.360 174.547 174.900 0.012 0.000 1.207 100 G CA -0.363 44.683 45.100 -0.091 0.000 0.976 100 G HN 1.119 nan 8.290 nan 0.000 0.487 101 G N -1.977 106.868 108.800 0.075 0.000 2.660 101 G HA2 0.668 4.629 3.960 0.001 0.000 0.294 101 G HA3 0.668 4.629 3.960 0.001 0.000 0.294 101 G C -1.752 173.152 174.900 0.007 0.000 1.369 101 G CA -0.507 44.597 45.100 0.006 0.000 0.912 101 G HN 1.307 nan 8.290 nan 0.000 0.479 102 V N 0.001 119.891 119.914 -0.040 0.000 2.841 102 V HA 0.813 4.934 4.120 0.001 0.000 0.310 102 V C -0.475 175.436 176.094 -0.305 0.000 1.090 102 V CA -0.255 61.977 62.300 -0.113 0.000 0.930 102 V CB 1.263 33.117 31.823 0.051 0.000 1.014 102 V HN 1.743 nan 8.190 nan 0.000 0.425 103 C N 3.559 122.635 119.300 -0.372 0.000 3.312 103 C HA 0.684 5.145 4.460 0.001 0.000 0.332 103 C C -1.429 173.421 174.990 -0.234 0.000 1.340 103 C CA -1.113 57.714 59.018 -0.319 0.000 1.265 103 C CB 0.842 28.315 27.740 -0.445 0.000 1.563 103 C HN 0.853 nan 8.230 nan 0.000 0.471 104 Y N 1.304 121.578 120.300 -0.043 0.000 2.313 104 Y HA 0.396 4.947 4.550 0.001 0.000 0.332 104 Y C 1.512 177.462 175.900 0.084 0.000 1.071 104 Y CA 0.117 58.227 58.100 0.017 0.000 1.169 104 Y CB 1.433 39.949 38.460 0.093 0.000 1.192 104 Y HN 0.608 nan 8.280 nan 0.000 0.487 105 V N 2.506 122.525 119.914 0.175 0.000 2.295 105 V HA -0.301 3.819 4.120 0.001 0.000 0.246 105 V C 1.899 178.092 176.094 0.165 0.000 1.049 105 V CA 2.342 64.731 62.300 0.149 0.000 1.024 105 V CB -0.375 31.485 31.823 0.062 0.000 0.648 105 V HN 0.917 nan 8.190 nan 0.000 0.447 106 D N 0.318 120.814 120.400 0.161 0.000 2.117 106 D HA -0.175 4.466 4.640 0.001 0.000 0.198 106 D C 2.035 178.412 176.300 0.129 0.000 0.982 106 D CA 1.429 55.497 54.000 0.113 0.000 0.828 106 D CB -0.516 40.337 40.800 0.088 0.000 0.967 106 D HN 0.436 nan 8.370 nan 0.000 0.464 107 L N -1.249 120.092 121.223 0.197 0.000 2.109 107 L HA -0.021 4.319 4.340 0.001 0.000 0.207 107 L C 2.618 179.638 176.870 0.250 0.000 1.086 107 L CA 0.836 55.795 54.840 0.198 0.000 0.760 107 L CB -0.467 41.715 42.059 0.205 0.000 0.910 107 L HN -0.065 nan 8.230 nan 0.000 0.437 108 F N 0.144 120.186 119.950 0.153 0.000 2.270 108 F HA 0.103 4.630 4.527 0.001 0.000 0.295 108 F C 1.848 177.630 175.800 -0.031 0.000 1.087 108 F CA 0.949 59.038 58.000 0.148 0.000 1.365 108 F CB 0.225 39.336 39.000 0.186 0.000 1.056 108 F HN -0.050 nan 8.300 nan 0.000 0.506 109 A N -1.438 121.427 122.820 0.074 0.000 2.674 109 A HA 0.571 4.892 4.320 0.001 0.000 0.274 109 A C 1.335 178.877 177.584 -0.070 0.000 1.065 109 A CA 0.524 52.500 52.037 -0.102 0.000 0.978 109 A CB -0.585 18.418 19.000 0.005 0.000 1.242 109 A HN 0.696 nan 8.150 nan 0.000 0.583 110 G N 0.882 109.670 108.800 -0.021 0.000 4.655 110 G HA2 -0.293 3.668 3.960 0.001 0.000 0.220 110 G HA3 -0.293 3.668 3.960 0.001 0.000 0.220 110 G C 0.049 174.947 174.900 -0.004 0.000 1.403 110 G CA 1.235 46.322 45.100 -0.022 0.000 0.931 110 G HN 1.392 nan 8.290 nan 0.000 0.654 111 D N -1.004 119.389 120.400 -0.012 0.000 2.752 111 D HA 0.592 5.232 4.640 0.001 0.000 0.313 111 D C 1.271 177.566 176.300 -0.007 0.000 1.225 111 D CA -0.336 53.658 54.000 -0.011 0.000 0.976 111 D CB 0.022 40.807 40.800 -0.026 0.000 1.443 111 D HN 0.308 nan 8.370 nan 0.000 0.515 112 L N -0.416 120.796 121.223 -0.018 0.000 2.079 112 L HA -0.125 4.215 4.340 0.001 0.000 0.210 112 L C 2.156 179.019 176.870 -0.013 0.000 1.081 112 L CA 1.320 56.150 54.840 -0.016 0.000 0.752 112 L CB -0.430 41.606 42.059 -0.038 0.000 0.896 112 L HN 0.382 nan 8.230 nan 0.000 0.433 113 K N -0.269 120.117 120.400 -0.024 0.000 2.097 113 K HA -0.087 4.234 4.320 0.001 0.000 0.205 113 K C 2.139 178.719 176.600 -0.033 0.000 1.050 113 K CA 1.180 57.450 56.287 -0.027 0.000 0.938 113 K CB -0.391 32.090 32.500 -0.032 0.000 0.718 113 K HN 0.393 nan 8.250 nan 0.000 0.442 114 G N 1.831 110.607 108.800 -0.040 0.000 2.408 114 G HA2 -0.206 3.755 3.960 0.001 0.000 0.217 114 G HA3 -0.206 3.755 3.960 0.001 0.000 0.217 114 G C 1.367 176.237 174.900 -0.050 0.000 1.150 114 G CA 0.089 45.149 45.100 -0.066 0.000 0.776 114 G HN 0.112 nan 8.290 nan 0.000 0.542 115 L N 0.766 121.995 121.223 0.011 0.000 2.046 115 L HA 0.029 4.369 4.340 0.001 0.000 0.208 115 L C 2.518 179.430 176.870 0.070 0.000 1.077 115 L CA 2.167 57.062 54.840 0.091 0.000 0.747 115 L CB -0.732 41.403 42.059 0.126 0.000 0.896 115 L HN 0.257 nan 8.230 nan 0.000 0.432 116 K N -0.271 120.146 120.400 0.030 0.000 2.103 116 K HA -0.190 4.131 4.320 0.001 0.000 0.207 116 K C 1.475 178.065 176.600 -0.016 0.000 1.048 116 K CA 1.693 57.992 56.287 0.020 0.000 0.930 116 K CB 0.051 32.551 32.500 0.001 0.000 0.716 116 K HN 0.375 nan 8.250 nan 0.000 0.444 117 D N 0.257 120.626 120.400 -0.052 0.000 2.348 117 D HA -0.082 4.558 4.640 0.001 0.000 0.216 117 D C 1.223 177.441 176.300 -0.137 0.000 0.970 117 D CA 0.689 54.638 54.000 -0.085 0.000 0.889 117 D CB 0.271 41.011 40.800 -0.099 0.000 0.912 117 D HN 0.099 nan 8.370 nan 0.000 0.524 118 K N 0.432 120.723 120.400 -0.182 0.000 2.393 118 K HA 0.165 4.486 4.320 0.001 0.000 0.193 118 K C 2.021 178.274 176.600 -0.578 0.000 1.026 118 K CA -0.181 55.886 56.287 -0.366 0.000 1.064 118 K CB 0.458 32.731 32.500 -0.377 0.000 0.833 118 K HN 0.257 nan 8.250 nan 0.000 0.521 119 I N 1.633 122.058 120.570 -0.242 0.000 2.264 119 I HA -0.225 3.945 4.170 0.001 0.000 0.248 119 I C -0.870 175.227 176.117 -0.033 0.000 1.111 119 I CA 1.319 62.600 61.300 -0.032 0.000 1.382 119 I CB -1.209 36.853 38.000 0.105 0.000 1.060 119 I HN 0.018 nan 8.210 nan 0.000 0.418 120 P HA -0.213 nan 4.420 nan 0.000 0.218 120 P C 1.534 178.849 177.300 0.025 0.000 1.149 120 P CA 1.337 64.441 63.100 0.008 0.000 0.817 120 P CB -0.115 31.588 31.700 0.006 0.000 0.785 121 Y N -0.473 119.743 120.300 -0.140 0.000 2.200 121 Y HA -0.176 4.375 4.550 0.001 0.000 0.290 121 Y C 1.863 177.817 175.900 0.090 0.000 1.137 121 Y CA 1.357 59.417 58.100 -0.065 0.000 1.163 121 Y CB -1.058 37.307 38.460 -0.158 0.000 0.988 121 Y HN -0.182 nan 8.280 nan 0.000 0.518 122 F N 0.877 120.785 119.950 -0.070 0.000 2.216 122 F HA -0.219 4.308 4.527 0.001 0.000 0.300 122 F C 2.403 178.131 175.800 -0.120 0.000 1.085 122 F CA 1.480 59.395 58.000 -0.141 0.000 1.326 122 F CB -1.213 37.789 39.000 0.004 0.000 1.027 122 F HN 0.195 nan 8.300 nan 0.000 0.497 123 Q N -0.214 119.652 119.800 0.110 0.000 2.123 123 Q HA -0.191 4.150 4.340 0.001 0.000 0.199 123 Q C 2.199 178.217 176.000 0.029 0.000 0.966 123 Q CA 1.314 57.160 55.803 0.071 0.000 0.845 123 Q CB -0.372 28.407 28.738 0.069 0.000 0.907 123 Q HN 0.523 nan 8.270 nan 0.000 0.439 124 E N 0.898 121.099 120.200 0.002 0.000 2.085 124 E HA -0.221 4.130 4.350 0.001 0.000 0.194 124 E C 1.910 178.524 176.600 0.025 0.000 0.994 124 E CA 0.827 57.249 56.400 0.037 0.000 0.801 124 E CB 0.036 29.791 29.700 0.092 0.000 0.743 124 E HN 0.209 nan 8.360 nan 0.000 0.453 125 L N -0.302 120.859 121.223 -0.103 0.000 2.217 125 L HA 0.070 4.411 4.340 0.001 0.000 0.211 125 L C 1.411 178.261 176.870 -0.033 0.000 1.107 125 L CA 2.028 56.830 54.840 -0.063 0.000 0.783 125 L CB 0.119 42.082 42.059 -0.160 0.000 0.919 125 L HN 0.364 nan 8.230 nan 0.000 0.442 126 G N -1.273 107.522 108.800 -0.008 0.000 2.138 126 G HA2 -0.195 3.766 3.960 0.001 0.000 0.193 126 G HA3 -0.195 3.766 3.960 0.001 0.000 0.193 126 G C 0.186 175.098 174.900 0.020 0.000 0.998 126 G CA 0.082 45.185 45.100 0.006 0.000 0.668 126 G HN 0.284 nan 8.290 nan 0.000 0.516 127 L N 0.864 122.108 121.223 0.034 0.000 2.461 127 L HA 0.470 4.811 4.340 0.001 0.000 0.272 127 L C 1.740 178.652 176.870 0.070 0.000 1.197 127 L CA 0.943 55.808 54.840 0.041 0.000 0.836 127 L CB 0.885 42.950 42.059 0.010 0.000 1.105 127 L HN 0.405 nan 8.230 nan 0.000 0.477 128 T N -2.108 112.504 114.554 0.097 0.000 3.058 128 T HA 0.142 4.493 4.350 0.001 0.000 0.278 128 T C -0.451 174.378 174.700 0.213 0.000 0.974 128 T CA -0.218 61.961 62.100 0.130 0.000 0.893 128 T CB 0.046 68.988 68.868 0.124 0.000 1.138 128 T HN 0.418 nan 8.240 nan 0.000 0.529 129 Y N 0.780 121.090 120.300 0.015 0.000 2.441 129 Y HA 0.684 5.234 4.550 0.001 0.000 0.334 129 Y C -2.416 173.453 175.900 -0.051 0.000 1.061 129 Y CA -2.282 55.828 58.100 0.017 0.000 1.032 129 Y CB 1.799 40.277 38.460 0.029 0.000 1.266 129 Y HN 0.191 nan 8.280 nan 0.000 0.441 130 L N 6.937 128.164 121.223 0.006 0.000 2.441 130 L HA 0.432 4.773 4.340 0.001 0.000 0.270 130 L C -1.606 175.220 176.870 -0.073 0.000 0.973 130 L CA -0.389 54.406 54.840 -0.075 0.000 0.842 130 L CB 1.314 43.217 42.059 -0.261 0.000 1.239 130 L HN 0.847 nan 8.230 nan 0.000 0.406 131 H N 5.872 124.889 119.070 -0.089 0.000 2.552 131 H HA 0.493 5.049 4.556 0.001 0.000 0.311 131 H C -1.313 173.942 175.328 -0.121 0.000 1.071 131 H CA -0.840 55.158 56.048 -0.083 0.000 1.307 131 H CB 0.962 30.759 29.762 0.060 0.000 1.416 131 H HN 0.595 nan 8.280 nan 0.000 0.464 132 L N 6.015 127.240 121.223 0.003 0.000 2.282 132 L HA 0.223 4.564 4.340 0.001 0.000 0.288 132 L C 0.174 176.889 176.870 -0.258 0.000 1.033 132 L CA -0.940 53.799 54.840 -0.168 0.000 0.807 132 L CB 1.552 43.568 42.059 -0.072 0.000 1.209 132 L HN 0.637 nan 8.230 nan 0.000 0.423 133 M N 3.024 122.335 119.600 -0.482 0.000 2.219 133 M HA 0.173 4.654 4.480 0.001 0.000 0.307 133 M C -2.022 174.115 176.300 -0.270 0.000 1.116 133 M CA -2.066 52.908 55.300 -0.544 0.000 1.181 133 M CB -0.886 31.126 32.600 -0.981 0.000 1.410 133 M HN 0.191 nan 8.290 nan 0.000 0.454 134 P HA -0.111 nan 4.420 nan 0.000 0.255 134 P C 0.128 177.382 177.300 -0.078 0.000 1.132 134 P CA 0.804 63.788 63.100 -0.193 0.000 0.766 134 P CB -0.010 31.442 31.700 -0.412 0.000 0.715 135 L N 1.932 123.132 121.223 -0.037 0.000 2.638 135 L HA 0.226 4.566 4.340 0.001 0.000 0.232 135 L C 0.792 177.457 176.870 -0.342 0.000 1.099 135 L CA -0.019 54.697 54.840 -0.207 0.000 0.883 135 L CB -0.145 41.700 42.059 -0.356 0.000 1.136 135 L HN 0.245 nan 8.230 nan 0.000 0.492 136 F N 0.335 120.279 119.950 -0.011 0.000 2.380 136 F HA 0.280 4.807 4.527 0.001 0.000 0.319 136 F C 1.020 176.783 175.800 -0.061 0.000 1.113 136 F CA -0.757 57.231 58.000 -0.021 0.000 1.056 136 F CB 0.458 39.456 39.000 -0.003 0.000 1.289 136 F HN -0.250 nan 8.300 nan 0.000 0.515 137 K N 1.384 121.852 120.400 0.114 0.000 2.550 137 K HA 0.159 4.480 4.320 0.001 0.000 0.280 137 K C -0.916 175.662 176.600 -0.037 0.000 0.987 137 K CA 0.159 56.445 56.287 -0.002 0.000 1.048 137 K CB -0.175 32.300 32.500 -0.041 0.000 0.879 137 K HN 0.804 nan 8.250 nan 0.000 0.491 138 C N 1.997 121.266 119.300 -0.051 0.000 3.318 138 C HA 0.599 5.059 4.460 0.001 0.000 0.322 138 C C -2.875 172.062 174.990 -0.088 0.000 1.398 138 C CA -2.318 56.664 59.018 -0.059 0.000 1.339 138 C CB 0.822 28.553 27.740 -0.015 0.000 1.668 138 C HN 0.612 nan 8.230 nan 0.000 0.462 139 P HA 0.222 nan 4.420 nan 0.000 0.267 139 P C -0.398 176.816 177.300 -0.144 0.000 1.200 139 P CA 0.524 63.527 63.100 -0.161 0.000 0.772 139 P CB 0.374 31.921 31.700 -0.254 0.000 0.855 140 E N 1.081 121.204 120.200 -0.127 0.000 2.354 140 E HA 0.327 4.678 4.350 0.001 0.000 0.269 140 E C 1.210 177.736 176.600 -0.123 0.000 1.036 140 E CA 0.292 56.628 56.400 -0.106 0.000 0.876 140 E CB 0.321 29.968 29.700 -0.088 0.000 1.009 140 E HN 0.693 nan 8.360 nan 0.000 0.416 141 G N 3.755 112.490 108.800 -0.108 0.000 5.353 141 G HA2 -0.324 3.636 3.960 0.001 0.000 0.283 141 G HA3 -0.324 3.636 3.960 0.001 0.000 0.283 141 G C -0.111 174.720 174.900 -0.115 0.000 1.457 141 G CA 0.118 45.152 45.100 -0.111 0.000 0.951 141 G HN 0.458 nan 8.290 nan 0.000 0.731 142 K N 1.089 121.385 120.400 -0.174 0.000 2.483 142 K HA 0.604 4.924 4.320 0.001 0.000 0.256 142 K C 0.022 176.323 176.600 -0.497 0.000 0.961 142 K CA 0.214 56.379 56.287 -0.203 0.000 0.873 142 K CB 1.733 34.145 32.500 -0.147 0.000 1.107 142 K HN 0.620 nan 8.250 nan 0.000 0.432 143 S N 0.977 116.574 115.700 -0.172 0.000 3.053 143 S HA 0.034 4.505 4.470 0.001 0.000 0.255 143 S C -0.032 174.772 174.600 0.340 0.000 0.976 143 S CA -0.375 57.773 58.200 -0.087 0.000 1.159 143 S CB -0.022 63.166 63.200 -0.021 0.000 1.110 143 S HN 0.726 nan 8.310 nan 0.000 0.633 144 D N 1.885 122.582 120.400 0.496 0.000 2.699 144 D HA -0.127 4.514 4.640 0.001 0.000 0.239 144 D C 0.957 177.530 176.300 0.454 0.000 1.136 144 D CA 1.547 55.845 54.000 0.497 0.000 0.668 144 D CB -1.721 39.396 40.800 0.527 0.000 1.060 144 D HN 1.512 nan 8.370 nan 0.000 0.429 145 G N -0.683 108.399 108.800 0.470 0.000 2.305 145 G HA2 0.097 4.058 3.960 0.001 0.000 0.287 145 G HA3 0.097 4.058 3.960 0.001 0.000 0.287 145 G C 1.478 176.557 174.900 0.299 0.000 1.036 145 G CA 0.944 46.313 45.100 0.448 0.000 0.887 145 G HN 1.787 nan 8.290 nan 0.000 0.505 146 G N -2.066 106.861 108.800 0.213 0.000 2.195 146 G HA2 -0.336 3.624 3.960 0.001 0.000 0.246 146 G HA3 -0.336 3.624 3.960 0.001 0.000 0.246 146 G C 0.841 175.733 174.900 -0.012 0.000 0.984 146 G CA 0.858 45.993 45.100 0.058 0.000 0.633 146 G HN 1.016 nan 8.290 nan 0.000 0.525 147 Y N 1.169 121.593 120.300 0.207 0.000 2.578 147 Y HA 0.460 5.011 4.550 0.001 0.000 0.297 147 Y C 1.967 178.033 175.900 0.275 0.000 1.176 147 Y CA 0.886 59.115 58.100 0.215 0.000 1.315 147 Y CB 0.481 39.066 38.460 0.208 0.000 1.031 147 Y HN 0.536 nan 8.280 nan 0.000 0.524 148 A N 0.754 123.791 122.820 0.361 0.000 2.540 148 A HA 0.527 4.847 4.320 0.001 0.000 0.340 148 A C -0.613 177.053 177.584 0.137 0.000 1.424 148 A CA -0.477 51.767 52.037 0.344 0.000 0.940 148 A CB -0.326 18.940 19.000 0.443 0.000 1.149 148 A HN 0.010 nan 8.150 nan 0.000 0.505 149 V N 2.574 122.521 119.914 0.056 0.000 2.488 149 V HA 0.145 4.265 4.120 0.001 0.000 0.277 149 V C 1.055 177.052 176.094 -0.162 0.000 1.046 149 V CA 0.368 62.592 62.300 -0.126 0.000 0.986 149 V CB 1.262 32.862 31.823 -0.373 0.000 0.989 149 V HN 0.880 nan 8.190 nan 0.000 0.475 150 S N 2.407 117.990 115.700 -0.194 0.000 2.511 150 S HA 0.160 4.630 4.470 0.001 0.000 0.214 150 S C 0.563 174.830 174.600 -0.555 0.000 0.997 150 S CA 0.305 58.340 58.200 -0.276 0.000 0.908 150 S CB 0.333 63.404 63.200 -0.214 0.000 0.803 150 S HN 0.774 nan 8.310 nan 0.000 0.504 151 S N -0.518 114.892 115.700 -0.482 0.000 2.582 151 S HA 0.409 4.880 4.470 0.001 0.000 0.287 151 S C -0.819 173.563 174.600 -0.364 0.000 1.146 151 S CA -0.579 57.318 58.200 -0.504 0.000 0.941 151 S CB 0.323 63.342 63.200 -0.301 0.000 1.115 151 S HN 0.241 nan 8.310 nan 0.000 0.458 152 Y N 2.990 123.121 120.300 -0.282 0.000 2.511 152 Y HA 0.244 4.795 4.550 0.001 0.000 0.279 152 Y C 2.312 177.793 175.900 -0.698 0.000 1.157 152 Y CA -0.049 57.785 58.100 -0.443 0.000 1.300 152 Y CB 0.351 38.634 38.460 -0.295 0.000 1.052 152 Y HN 0.457 nan 8.280 nan 0.000 0.529 153 R N -0.867 119.469 120.500 -0.273 0.000 2.287 153 R HA 0.126 4.467 4.340 0.001 0.000 0.197 153 R C -0.649 175.814 176.300 0.272 0.000 0.900 153 R CA 0.308 56.271 56.100 -0.228 0.000 1.052 153 R CB -0.014 30.026 30.300 -0.432 0.000 1.117 153 R HN 0.150 nan 8.270 nan 0.000 0.568 154 D N 2.020 122.566 120.400 0.244 0.000 2.280 154 D HA 0.165 4.806 4.640 0.001 0.000 0.243 154 D C 0.025 176.497 176.300 0.287 0.000 1.129 154 D CA -0.265 53.867 54.000 0.221 0.000 0.848 154 D CB 2.392 43.224 40.800 0.054 0.000 1.107 154 D HN -0.296 nan 8.370 nan 0.000 0.471 155 V N 2.950 122.914 119.914 0.084 0.000 2.811 155 V HA -0.054 4.067 4.120 0.001 0.000 0.302 155 V C 1.083 177.112 176.094 -0.108 0.000 1.063 155 V CA -0.551 61.626 62.300 -0.204 0.000 1.088 155 V CB 0.766 32.440 31.823 -0.249 0.000 0.982 155 V HN 0.511 nan 8.190 nan 0.000 0.485 156 N N 7.003 125.619 118.700 -0.139 0.000 2.414 156 N HA 0.015 4.755 4.740 0.001 0.000 0.268 156 N C -1.056 174.411 175.510 -0.071 0.000 1.286 156 N CA -1.384 51.620 53.050 -0.078 0.000 0.896 156 N CB 1.170 39.614 38.487 -0.070 0.000 1.093 156 N HN 0.384 nan 8.380 nan 0.000 0.480 157 P HA -0.170 nan 4.420 nan 0.000 0.220 157 P C 0.667 177.941 177.300 -0.044 0.000 1.144 157 P CA 1.112 64.184 63.100 -0.046 0.000 0.800 157 P CB 0.136 31.812 31.700 -0.040 0.000 0.772 158 A N -0.568 122.226 122.820 -0.042 0.000 2.066 158 A HA -0.013 4.308 4.320 0.001 0.000 0.218 158 A C 2.286 179.850 177.584 -0.034 0.000 1.157 158 A CA 0.841 52.856 52.037 -0.035 0.000 0.670 158 A CB -1.121 17.861 19.000 -0.030 0.000 0.804 158 A HN 0.182 nan 8.150 nan 0.000 0.453 159 L N -2.256 118.940 121.223 -0.045 0.000 2.354 159 L HA 0.375 4.715 4.340 0.001 0.000 0.212 159 L C 1.359 178.196 176.870 -0.055 0.000 1.091 159 L CA 0.529 55.341 54.840 -0.048 0.000 0.828 159 L CB -0.210 41.808 42.059 -0.068 0.000 0.973 159 L HN 0.568 nan 8.230 nan 0.000 0.461 160 G N -0.110 108.654 108.800 -0.060 0.000 2.260 160 G HA2 0.014 3.975 3.960 0.001 0.000 0.250 160 G HA3 0.014 3.975 3.960 0.001 0.000 0.250 160 G C -0.667 174.200 174.900 -0.056 0.000 1.340 160 G CA -0.200 44.869 45.100 -0.052 0.000 1.056 160 G HN 0.063 nan 8.290 nan 0.000 0.471 161 T N -1.919 112.609 114.554 -0.044 0.000 2.938 161 T HA 0.590 4.940 4.350 0.001 0.000 0.285 161 T C 1.393 176.078 174.700 -0.024 0.000 1.028 161 T CA 0.254 62.338 62.100 -0.027 0.000 1.005 161 T CB 1.836 70.699 68.868 -0.008 0.000 1.157 161 T HN 1.346 nan 8.240 nan 0.000 0.550 162 I N 1.360 121.943 120.570 0.021 0.000 2.454 162 I HA 0.114 4.285 4.170 0.001 0.000 0.254 162 I C 2.248 178.388 176.117 0.038 0.000 1.156 162 I CA 1.745 63.084 61.300 0.065 0.000 1.433 162 I CB -0.966 37.140 38.000 0.177 0.000 1.082 162 I HN 0.908 nan 8.210 nan 0.000 0.432 163 G N -0.250 108.565 108.800 0.025 0.000 2.402 163 G HA2 -0.222 3.739 3.960 0.001 0.000 0.216 163 G HA3 -0.222 3.739 3.960 0.001 0.000 0.216 163 G C 1.409 176.304 174.900 -0.008 0.000 1.162 163 G CA 0.852 45.958 45.100 0.011 0.000 0.777 163 G HN 0.381 nan 8.290 nan 0.000 0.539 164 D N 0.206 120.595 120.400 -0.018 0.000 2.144 164 D HA -0.091 4.550 4.640 0.001 0.000 0.199 164 D C 2.385 178.662 176.300 -0.037 0.000 0.984 164 D CA 0.562 54.545 54.000 -0.028 0.000 0.834 164 D CB -0.138 40.641 40.800 -0.035 0.000 0.955 164 D HN 0.249 nan 8.370 nan 0.000 0.465 165 L N 1.350 122.546 121.223 -0.045 0.000 2.093 165 L HA -0.093 4.248 4.340 0.001 0.000 0.208 165 L C 2.186 179.025 176.870 -0.050 0.000 1.085 165 L CA 1.500 56.305 54.840 -0.057 0.000 0.755 165 L CB -0.260 41.757 42.059 -0.071 0.000 0.904 165 L HN -0.161 nan 8.230 nan 0.000 0.435 166 R N -0.348 120.131 120.500 -0.035 0.000 2.081 166 R HA -0.147 4.194 4.340 0.001 0.000 0.235 166 R C 2.100 178.369 176.300 -0.052 0.000 1.131 166 R CA 1.726 57.799 56.100 -0.044 0.000 0.960 166 R CB -0.345 29.940 30.300 -0.024 0.000 0.856 166 R HN 0.556 nan 8.270 nan 0.000 0.436 167 E N 0.156 120.333 120.200 -0.038 0.000 2.077 167 E HA -0.144 4.207 4.350 0.001 0.000 0.193 167 E C 2.082 178.656 176.600 -0.043 0.000 0.989 167 E CA 1.206 57.586 56.400 -0.034 0.000 0.800 167 E CB -0.010 29.676 29.700 -0.023 0.000 0.746 167 E HN 0.085 nan 8.360 nan 0.000 0.452 168 V N 1.594 121.479 119.914 -0.047 0.000 2.295 168 V HA -0.261 3.860 4.120 0.001 0.000 0.246 168 V C 2.259 178.299 176.094 -0.089 0.000 1.049 168 V CA 1.569 63.843 62.300 -0.044 0.000 1.024 168 V CB -0.367 31.435 31.823 -0.035 0.000 0.648 168 V HN 0.263 nan 8.190 nan 0.000 0.447 169 I N 0.349 120.834 120.570 -0.141 0.000 2.226 169 I HA -0.243 3.927 4.170 0.001 0.000 0.245 169 I C 2.647 178.538 176.117 -0.375 0.000 1.100 169 I CA 1.477 62.604 61.300 -0.288 0.000 1.374 169 I CB -0.595 37.240 38.000 -0.275 0.000 1.057 169 I HN 0.298 nan 8.210 nan 0.000 0.413 170 A N 0.747 123.456 122.820 -0.186 0.000 1.902 170 A HA -0.144 4.177 4.320 0.001 0.000 0.217 170 A C 2.533 180.093 177.584 -0.039 0.000 1.181 170 A CA 1.828 53.813 52.037 -0.086 0.000 0.623 170 A CB -0.764 18.216 19.000 -0.033 0.000 0.818 170 A HN 0.432 nan 8.150 nan 0.000 0.443 171 A N -0.467 122.330 122.820 -0.040 0.000 1.969 171 A HA 0.049 4.370 4.320 0.001 0.000 0.218 171 A C 2.152 179.747 177.584 0.020 0.000 1.169 171 A CA 1.309 53.346 52.037 0.000 0.000 0.635 171 A CB -0.497 18.506 19.000 0.005 0.000 0.810 171 A HN 0.466 nan 8.150 nan 0.000 0.445 172 L N -1.578 119.633 121.223 -0.019 0.000 2.027 172 L HA -0.194 4.147 4.340 0.001 0.000 0.206 172 L C 2.543 179.466 176.870 0.089 0.000 1.074 172 L CA 1.630 56.481 54.840 0.019 0.000 0.745 172 L CB -0.772 41.257 42.059 -0.050 0.000 0.898 172 L HN 0.539 nan 8.230 nan 0.000 0.433 173 H N -1.067 118.001 119.070 -0.003 0.000 2.353 173 H HA -0.219 4.338 4.556 0.001 0.000 0.300 173 H C 2.195 177.517 175.328 -0.010 0.000 1.090 173 H CA 1.066 57.103 56.048 -0.019 0.000 1.327 173 H CB 0.275 30.015 29.762 -0.035 0.000 1.383 173 H HN 0.228 nan 8.280 nan 0.000 0.508 174 E N 1.237 121.513 120.200 0.127 0.000 2.153 174 E HA -0.091 4.260 4.350 0.001 0.000 0.194 174 E C 1.805 178.441 176.600 0.060 0.000 0.988 174 E CA 1.005 57.447 56.400 0.070 0.000 0.811 174 E CB -0.059 29.670 29.700 0.048 0.000 0.746 174 E HN 0.436 nan 8.360 nan 0.000 0.466 175 A N -0.675 122.189 122.820 0.073 0.000 2.278 175 A HA 0.432 4.752 4.320 0.001 0.000 0.212 175 A C 1.473 179.101 177.584 0.074 0.000 1.213 175 A CA 0.604 52.684 52.037 0.072 0.000 0.840 175 A CB -0.662 18.391 19.000 0.089 0.000 0.866 175 A HN 0.420 nan 8.150 nan 0.000 0.489 176 G N -0.482 108.360 108.800 0.071 0.000 2.198 176 G HA2 -0.215 3.745 3.960 0.001 0.000 0.257 176 G HA3 -0.215 3.745 3.960 0.001 0.000 0.257 176 G C -0.110 174.838 174.900 0.081 0.000 1.042 176 G CA 0.449 45.584 45.100 0.059 0.000 0.791 176 G HN 0.528 nan 8.290 nan 0.000 0.502 177 I N 0.781 121.416 120.570 0.108 0.000 2.436 177 I HA 0.370 4.541 4.170 0.001 0.000 0.289 177 I C 0.462 176.665 176.117 0.143 0.000 1.010 177 I CA -0.774 60.593 61.300 0.112 0.000 1.098 177 I CB 2.022 40.077 38.000 0.092 0.000 1.266 177 I HN 0.060 nan 8.210 nan 0.000 0.434 178 S N 4.044 119.814 115.700 0.117 0.000 2.565 178 S HA 0.540 5.011 4.470 0.001 0.000 0.276 178 S C 0.154 174.745 174.600 -0.015 0.000 1.326 178 S CA -0.628 57.629 58.200 0.095 0.000 1.045 178 S CB 1.300 64.550 63.200 0.084 0.000 0.918 178 S HN 0.682 nan 8.310 nan 0.000 0.505 179 A N 2.908 125.726 122.820 -0.003 0.000 2.274 179 A HA 0.641 4.962 4.320 0.001 0.000 0.309 179 A C -0.609 176.897 177.584 -0.130 0.000 1.226 179 A CA -0.559 51.423 52.037 -0.092 0.000 0.853 179 A CB 0.327 19.257 19.000 -0.115 0.000 1.146 179 A HN 0.613 nan 8.150 nan 0.000 0.518 180 V N 3.610 123.417 119.914 -0.178 0.000 2.487 180 V HA 0.586 4.706 4.120 0.001 0.000 0.298 180 V C -0.304 175.773 176.094 -0.027 0.000 1.028 180 V CA -0.397 61.783 62.300 -0.201 0.000 0.860 180 V CB 1.368 32.903 31.823 -0.480 0.000 0.991 180 V HN 0.728 nan 8.190 nan 0.000 0.427 181 V N 2.583 122.495 119.914 -0.003 0.000 3.130 181 V HA 0.483 4.604 4.120 0.001 0.000 0.310 181 V C -0.848 175.301 176.094 0.092 0.000 1.158 181 V CA -1.054 61.313 62.300 0.111 0.000 1.029 181 V CB 2.634 34.545 31.823 0.148 0.000 1.057 181 V HN 0.888 nan 8.190 nan 0.000 0.436 182 D N 1.218 121.728 120.400 0.183 0.000 2.345 182 D HA 0.366 5.006 4.640 0.001 0.000 0.247 182 D C -0.972 175.473 176.300 0.241 0.000 1.108 182 D CA 0.179 54.302 54.000 0.204 0.000 0.894 182 D CB 0.892 41.842 40.800 0.250 0.000 1.203 182 D HN 0.414 nan 8.370 nan 0.000 0.430 183 F N 3.164 123.115 119.950 0.002 0.000 2.359 183 F HA 0.385 4.913 4.527 0.001 0.000 0.370 183 F C -0.776 175.056 175.800 0.054 0.000 1.077 183 F CA -1.029 56.917 58.000 -0.089 0.000 1.136 183 F CB 0.211 38.982 39.000 -0.382 0.000 1.387 183 F HN 0.289 nan 8.300 nan 0.000 0.468 184 I N 7.855 128.407 120.570 -0.030 0.000 2.227 184 I HA 0.016 4.186 4.170 0.001 0.000 0.297 184 I C 0.325 176.387 176.117 -0.092 0.000 1.173 184 I CA -0.117 61.206 61.300 0.038 0.000 1.356 184 I CB -0.322 37.767 38.000 0.149 0.000 1.485 184 I HN 0.522 nan 8.210 nan 0.000 0.604 185 F N 2.990 122.625 119.950 -0.525 0.000 2.695 185 F HA 0.241 4.768 4.527 0.001 0.000 0.303 185 F C 1.387 177.192 175.800 0.009 0.000 1.091 185 F CA -0.355 57.375 58.000 -0.449 0.000 1.300 185 F CB -0.824 37.686 39.000 -0.817 0.000 1.071 185 F HN 0.348 nan 8.300 nan 0.000 0.578 186 N N 0.338 118.869 118.700 -0.281 0.000 2.415 186 N HA -0.061 4.680 4.740 0.001 0.000 0.176 186 N C -0.342 175.282 175.510 0.190 0.000 1.042 186 N CA 0.610 53.609 53.050 -0.084 0.000 0.902 186 N CB 0.168 38.713 38.487 0.096 0.000 0.986 186 N HN 0.583 nan 8.380 nan 0.000 0.447 187 H N -2.174 117.044 119.070 0.247 0.000 3.003 187 H HA 0.255 4.812 4.556 0.001 0.000 0.327 187 H C -1.126 174.391 175.328 0.316 0.000 1.353 187 H CA -0.683 55.563 56.048 0.331 0.000 1.142 187 H CB 1.017 31.000 29.762 0.369 0.000 1.864 187 H HN -0.015 nan 8.280 nan 0.000 0.529 188 T N -1.597 113.235 114.554 0.463 0.000 2.888 188 T HA 0.507 4.857 4.350 0.001 0.000 0.288 188 T C 0.327 175.170 174.700 0.237 0.000 1.063 188 T CA -0.335 61.903 62.100 0.230 0.000 1.010 188 T CB 1.538 70.431 68.868 0.042 0.000 1.214 188 T HN 0.852 nan 8.240 nan 0.000 0.533 189 S N 0.791 116.549 115.700 0.097 0.000 2.624 189 S HA 0.182 4.653 4.470 0.001 0.000 0.263 189 S C 1.050 175.500 174.600 -0.251 0.000 1.287 189 S CA -0.270 57.954 58.200 0.040 0.000 0.990 189 S CB 0.141 63.343 63.200 0.004 0.000 0.950 189 S HN 0.898 nan 8.310 nan 0.000 0.561 190 N N 0.124 118.554 118.700 -0.449 0.000 2.521 190 N HA -0.029 4.711 4.740 0.001 0.000 0.188 190 N C 0.550 175.683 175.510 -0.629 0.000 1.146 190 N CA 0.465 52.889 53.050 -1.045 0.000 0.893 190 N CB -0.452 37.464 38.487 -0.952 0.000 0.975 190 N HN 0.831 nan 8.380 nan 0.000 0.451 191 E N -0.835 119.160 120.200 -0.341 0.000 2.498 191 E HA 0.011 4.362 4.350 0.001 0.000 0.203 191 E C -0.232 176.238 176.600 -0.216 0.000 1.013 191 E CA -0.313 55.939 56.400 -0.247 0.000 0.927 191 E CB 0.213 29.801 29.700 -0.187 0.000 1.012 191 E HN 0.385 nan 8.360 nan 0.000 0.482 192 H N 1.681 120.565 119.070 -0.310 0.000 2.815 192 H HA -0.011 4.546 4.556 0.001 0.000 0.350 192 H C 1.068 176.235 175.328 -0.269 0.000 1.080 192 H CA 0.843 56.708 56.048 -0.306 0.000 1.433 192 H CB 1.146 30.724 29.762 -0.308 0.000 1.432 192 H HN 0.144 nan 8.280 nan 0.000 0.592 193 E N 3.694 123.763 120.200 -0.218 0.000 2.097 193 E HA -0.204 4.146 4.350 0.001 0.000 0.196 193 E C 1.175 177.750 176.600 -0.040 0.000 1.000 193 E CA 1.423 57.750 56.400 -0.122 0.000 0.804 193 E CB -0.006 29.598 29.700 -0.160 0.000 0.740 193 E HN 0.648 nan 8.360 nan 0.000 0.454 194 W N 0.260 121.557 121.300 -0.005 0.000 2.358 194 W HA -0.041 4.620 4.660 0.001 0.000 0.303 194 W C 2.472 178.949 176.519 -0.071 0.000 1.208 194 W CA 0.895 58.002 57.345 -0.396 0.000 1.274 194 W CB -1.314 28.168 29.460 0.036 0.000 1.138 194 W HN 0.217 nan 8.180 nan 0.000 0.515 195 A N 0.267 123.215 122.820 0.214 0.000 1.873 195 A HA -0.231 4.090 4.320 0.001 0.000 0.215 195 A C 2.003 179.540 177.584 -0.078 0.000 1.186 195 A CA 1.831 53.766 52.037 -0.171 0.000 0.616 195 A CB -0.903 17.702 19.000 -0.658 0.000 0.823 195 A HN 0.376 nan 8.150 nan 0.000 0.442 196 Q N -0.627 119.097 119.800 -0.126 0.000 2.050 196 Q HA -0.174 4.166 4.340 0.001 0.000 0.202 196 Q C 2.364 178.348 176.000 -0.025 0.000 0.980 196 Q CA 1.745 57.500 55.803 -0.080 0.000 0.840 196 Q CB -0.193 28.480 28.738 -0.108 0.000 0.898 196 Q HN 0.613 nan 8.270 nan 0.000 0.424 197 R N -0.276 120.169 120.500 -0.093 0.000 2.092 197 R HA -0.092 4.249 4.340 0.001 0.000 0.231 197 R C 2.564 178.904 176.300 0.067 0.000 1.119 197 R CA 1.140 57.196 56.100 -0.073 0.000 0.970 197 R CB -0.585 29.541 30.300 -0.289 0.000 0.864 197 R HN 0.338 nan 8.270 nan 0.000 0.440 198 C N 0.617 120.002 119.300 0.141 0.000 2.453 198 C HA 0.008 4.468 4.460 0.001 0.000 0.277 198 C C 2.903 178.023 174.990 0.216 0.000 1.262 198 C CA 1.077 60.264 59.018 0.283 0.000 1.718 198 C CB -0.882 27.169 27.740 0.520 0.000 2.031 198 C HN 0.563 nan 8.230 nan 0.000 0.480 199 A N 0.145 123.096 122.820 0.218 0.000 1.972 199 A HA 0.159 4.480 4.320 0.001 0.000 0.219 199 A C 2.332 179.988 177.584 0.119 0.000 1.169 199 A CA 1.955 54.102 52.037 0.183 0.000 0.635 199 A CB -0.933 18.238 19.000 0.286 0.000 0.810 199 A HN 0.926 nan 8.150 nan 0.000 0.446 200 A N -1.928 120.951 122.820 0.098 0.000 2.167 200 A HA 0.391 4.711 4.320 0.001 0.000 0.214 200 A C 1.804 179.428 177.584 0.067 0.000 1.151 200 A CA 1.300 53.377 52.037 0.068 0.000 0.735 200 A CB -0.789 18.239 19.000 0.046 0.000 0.802 200 A HN 1.873 nan 8.150 nan 0.000 0.467 201 G N -0.489 108.362 108.800 0.085 0.000 2.141 201 G HA2 -0.214 3.747 3.960 0.001 0.000 0.231 201 G HA3 -0.214 3.747 3.960 0.001 0.000 0.231 201 G C -0.138 174.808 174.900 0.077 0.000 0.984 201 G CA 0.188 45.334 45.100 0.077 0.000 0.660 201 G HN 0.573 nan 8.290 nan 0.000 0.525 202 D N 0.770 121.228 120.400 0.096 0.000 2.401 202 D HA 0.279 4.920 4.640 0.001 0.000 0.254 202 D C -0.209 176.147 176.300 0.092 0.000 1.192 202 D CA -1.421 52.640 54.000 0.101 0.000 0.885 202 D CB 1.146 42.037 40.800 0.151 0.000 1.147 202 D HN 0.154 nan 8.370 nan 0.000 0.478 203 P HA -0.153 nan 4.420 nan 0.000 0.218 203 P C 1.473 178.734 177.300 -0.065 0.000 1.148 203 P CA 0.381 63.482 63.100 0.001 0.000 0.822 203 P CB 0.180 31.870 31.700 -0.017 0.000 0.784 204 L N -2.148 119.010 121.223 -0.108 0.000 2.265 204 L HA -0.005 4.336 4.340 0.001 0.000 0.215 204 L C 1.089 177.569 176.870 -0.650 0.000 1.117 204 L CA 1.728 56.359 54.840 -0.349 0.000 0.782 204 L CB -0.900 40.957 42.059 -0.337 0.000 0.914 204 L HN -0.129 nan 8.230 nan 0.000 0.441 205 F N -0.987 118.830 119.950 -0.222 0.000 2.791 205 F HA 0.265 4.793 4.527 0.001 0.000 0.308 205 F C 0.512 176.318 175.800 0.009 0.000 1.138 205 F CA -1.165 56.623 58.000 -0.353 0.000 1.294 205 F CB -0.164 38.599 39.000 -0.395 0.000 0.975 205 F HN -0.021 nan 8.300 nan 0.000 0.512 206 D N 0.438 120.923 120.400 0.142 0.000 2.455 206 D HA -0.007 4.634 4.640 0.001 0.000 0.241 206 D C 0.822 177.260 176.300 0.230 0.000 1.138 206 D CA 0.846 54.946 54.000 0.166 0.000 0.877 206 D CB 0.380 41.233 40.800 0.088 0.000 1.187 206 D HN 0.134 nan 8.370 nan 0.000 0.451 207 N N 2.293 121.099 118.700 0.176 0.000 2.735 207 N HA -0.246 4.495 4.740 0.001 0.000 0.248 207 N C -0.327 175.212 175.510 0.048 0.000 1.083 207 N CA 0.376 53.470 53.050 0.074 0.000 0.703 207 N CB -1.365 37.134 38.487 0.020 0.000 1.005 207 N HN 0.400 nan 8.380 nan 0.000 0.550 208 F N -1.034 118.901 119.950 -0.025 0.000 2.664 208 F HA 0.274 4.802 4.527 0.001 0.000 0.296 208 F C 0.542 176.023 175.800 -0.533 0.000 1.125 208 F CA 0.629 58.508 58.000 -0.202 0.000 1.444 208 F CB 0.162 39.163 39.000 0.001 0.000 1.114 208 F HN 0.134 nan 8.300 nan 0.000 0.576 209 Y N -3.131 117.217 120.300 0.079 0.000 2.805 209 Y HA 0.413 4.964 4.550 0.001 0.000 0.323 209 Y C -1.209 174.574 175.900 -0.194 0.000 1.279 209 Y CA -1.801 56.313 58.100 0.024 0.000 1.103 209 Y CB 0.545 39.160 38.460 0.258 0.000 1.324 209 Y HN -0.343 nan 8.280 nan 0.000 0.498 210 Y N 1.770 122.201 120.300 0.219 0.000 2.491 210 Y HA 0.556 5.107 4.550 0.001 0.000 0.334 210 Y C -0.618 175.215 175.900 -0.111 0.000 0.969 210 Y CA -0.470 57.663 58.100 0.056 0.000 1.241 210 Y CB 0.450 39.140 38.460 0.383 0.000 1.105 210 Y HN 0.151 nan 8.280 nan 0.000 0.503 211 I N 4.235 124.637 120.570 -0.279 0.000 2.433 211 I HA 0.444 4.615 4.170 0.001 0.000 0.292 211 I C -0.944 174.864 176.117 -0.516 0.000 1.001 211 I CA -0.730 60.419 61.300 -0.252 0.000 1.119 211 I CB 1.420 39.354 38.000 -0.110 0.000 1.289 211 I HN 0.301 nan 8.210 nan 0.000 0.438 212 F N 5.977 126.031 119.950 0.173 0.000 2.561 212 F HA 0.466 4.994 4.527 0.001 0.000 0.321 212 F C -1.562 174.324 175.800 0.142 0.000 1.065 212 F CA -1.816 56.269 58.000 0.141 0.000 0.934 212 F CB 1.079 40.132 39.000 0.088 0.000 1.215 212 F HN 0.289 nan 8.300 nan 0.000 0.471 213 P HA -0.022 nan 4.420 nan 0.000 0.222 213 P C -0.677 176.767 177.300 0.240 0.000 1.153 213 P CA 1.328 64.548 63.100 0.200 0.000 0.798 213 P CB 0.315 32.097 31.700 0.137 0.000 0.796 214 D N -3.149 117.390 120.400 0.232 0.000 2.946 214 D HA 0.195 4.835 4.640 0.001 0.000 0.337 214 D C 0.702 176.908 176.300 -0.156 0.000 1.332 214 D CA -0.736 53.358 54.000 0.157 0.000 0.935 214 D CB 0.050 40.886 40.800 0.060 0.000 1.440 214 D HN -0.407 nan 8.370 nan 0.000 0.540 215 R N -0.251 120.018 120.500 -0.385 0.000 2.313 215 R HA 0.162 4.503 4.340 0.001 0.000 0.199 215 R C 1.796 177.801 176.300 -0.493 0.000 0.958 215 R CA 0.159 55.856 56.100 -0.672 0.000 1.047 215 R CB -0.588 29.307 30.300 -0.675 0.000 0.955 215 R HN 0.513 nan 8.270 nan 0.000 0.481 216 R N 0.654 120.962 120.500 -0.320 0.000 2.097 216 R HA -0.112 4.229 4.340 0.001 0.000 0.236 216 R C 1.986 178.061 176.300 -0.375 0.000 1.135 216 R CA 1.854 57.790 56.100 -0.274 0.000 0.934 216 R CB -0.081 30.122 30.300 -0.162 0.000 0.846 216 R HN 0.101 nan 8.270 nan 0.000 0.431 217 M N -0.581 118.752 119.600 -0.445 0.000 2.156 217 M HA -0.029 4.451 4.480 0.001 0.000 0.264 217 M C -0.850 174.951 176.300 -0.831 0.000 1.067 217 M CA 1.246 56.178 55.300 -0.613 0.000 1.131 217 M CB -0.691 31.564 32.600 -0.574 0.000 1.368 217 M HN 0.109 nan 8.290 nan 0.000 0.416 218 P HA -0.161 nan 4.420 nan 0.000 0.216 218 P C 0.639 177.444 177.300 -0.826 0.000 1.153 218 P CA 1.369 63.524 63.100 -1.574 0.000 0.858 218 P CB -0.110 30.604 31.700 -1.643 0.000 0.789 219 D N -1.099 118.931 120.400 -0.616 0.000 2.117 219 D HA -0.154 4.486 4.640 0.001 0.000 0.197 219 D C 2.096 178.213 176.300 -0.304 0.000 0.987 219 D CA 1.111 54.876 54.000 -0.393 0.000 0.829 219 D CB -0.527 40.072 40.800 -0.335 0.000 0.961 219 D HN 0.296 nan 8.370 nan 0.000 0.460 220 Q N -0.748 118.836 119.800 -0.360 0.000 2.046 220 Q HA -0.162 4.178 4.340 0.001 0.000 0.200 220 Q C 2.084 177.929 176.000 -0.259 0.000 0.975 220 Q CA 0.994 56.606 55.803 -0.319 0.000 0.836 220 Q CB -0.167 28.325 28.738 -0.410 0.000 0.896 220 Q HN 0.394 nan 8.270 nan 0.000 0.428 221 Y N 1.238 121.377 120.300 -0.268 0.000 2.181 221 Y HA -0.195 4.356 4.550 0.001 0.000 0.288 221 Y C 1.897 177.739 175.900 -0.096 0.000 1.146 221 Y CA 1.166 59.170 58.100 -0.159 0.000 1.164 221 Y CB -0.199 38.121 38.460 -0.234 0.000 0.982 221 Y HN 0.110 nan 8.280 nan 0.000 0.515 222 D N -0.399 120.022 120.400 0.035 0.000 2.351 222 D HA -0.115 4.526 4.640 0.001 0.000 0.216 222 D C 1.937 178.229 176.300 -0.014 0.000 0.968 222 D CA 0.715 54.720 54.000 0.008 0.000 0.899 222 D CB -0.197 40.578 40.800 -0.042 0.000 0.907 222 D HN 0.346 nan 8.370 nan 0.000 0.514 223 R N -0.535 119.947 120.500 -0.030 0.000 2.148 223 R HA -0.049 4.292 4.340 0.001 0.000 0.227 223 R C 1.606 177.906 176.300 0.000 0.000 1.103 223 R CA 1.520 57.602 56.100 -0.030 0.000 0.983 223 R CB -0.007 30.264 30.300 -0.048 0.000 0.874 223 R HN 0.237 nan 8.270 nan 0.000 0.451 224 T N -3.211 111.363 114.554 0.032 0.000 3.058 224 T HA 0.310 4.661 4.350 0.001 0.000 0.278 224 T C 0.412 175.153 174.700 0.067 0.000 0.974 224 T CA -0.376 61.754 62.100 0.050 0.000 0.893 224 T CB 0.261 69.171 68.868 0.068 0.000 1.138 224 T HN -0.098 nan 8.240 nan 0.000 0.529 225 L N 2.203 123.464 121.223 0.063 0.000 2.326 225 L HA 0.539 4.880 4.340 0.001 0.000 0.278 225 L C 0.558 177.443 176.870 0.024 0.000 1.092 225 L CA -1.051 53.825 54.840 0.060 0.000 0.810 225 L CB 1.153 43.229 42.059 0.030 0.000 1.153 225 L HN 0.170 nan 8.230 nan 0.000 0.439 226 R N 2.386 122.907 120.500 0.035 0.000 2.357 226 R HA 0.230 4.570 4.340 0.001 0.000 0.296 226 R C -0.617 175.652 176.300 -0.051 0.000 1.052 226 R CA -0.502 55.603 56.100 0.008 0.000 0.988 226 R CB 0.825 31.151 30.300 0.044 0.000 1.025 226 R HN 0.571 nan 8.270 nan 0.000 0.469 227 E N 4.903 125.051 120.200 -0.086 0.000 2.194 227 E HA 0.085 4.435 4.350 0.001 0.000 0.284 227 E C 0.546 177.025 176.600 -0.201 0.000 1.035 227 E CA -0.548 55.755 56.400 -0.161 0.000 0.836 227 E CB 1.165 30.778 29.700 -0.146 0.000 1.070 227 E HN 0.531 nan 8.360 nan 0.000 0.401 228 I N 1.830 122.197 120.570 -0.337 0.000 2.429 228 I HA -0.056 4.115 4.170 0.001 0.000 0.247 228 I C 0.726 176.588 176.117 -0.426 0.000 1.099 228 I CA 0.989 62.017 61.300 -0.454 0.000 1.422 228 I CB -0.182 37.357 38.000 -0.767 0.000 1.112 228 I HN 0.433 nan 8.210 nan 0.000 0.430 229 F N 2.877 122.704 119.950 -0.205 0.000 2.471 229 F HA 0.379 4.906 4.527 0.001 0.000 0.318 229 F C -1.422 174.193 175.800 -0.307 0.000 1.308 229 F CA -3.255 54.607 58.000 -0.230 0.000 1.162 229 F CB -0.288 38.633 39.000 -0.132 0.000 1.383 229 F HN -0.051 nan 8.300 nan 0.000 0.552 230 P HA -0.190 nan 4.420 nan 0.000 0.218 230 P C 0.796 178.036 177.300 -0.099 0.000 1.146 230 P CA 1.421 64.432 63.100 -0.148 0.000 0.813 230 P CB 0.530 32.149 31.700 -0.135 0.000 0.778 231 D N -0.678 119.679 120.400 -0.072 0.000 2.178 231 D HA -0.122 4.519 4.640 0.001 0.000 0.202 231 D C 2.249 178.553 176.300 0.007 0.000 0.974 231 D CA 0.988 54.971 54.000 -0.028 0.000 0.841 231 D CB -0.291 40.489 40.800 -0.034 0.000 0.953 231 D HN 0.176 nan 8.370 nan 0.000 0.478 232 Q N -0.227 119.571 119.800 -0.004 0.000 2.096 232 Q HA 0.015 4.356 4.340 0.001 0.000 0.197 232 Q C 0.367 176.449 176.000 0.136 0.000 0.964 232 Q CA 1.106 56.947 55.803 0.063 0.000 0.838 232 Q CB 0.070 28.864 28.738 0.092 0.000 0.906 232 Q HN 0.607 nan 8.270 nan 0.000 0.444 233 H N -3.414 115.693 119.070 0.061 0.000 3.043 233 H HA 0.436 4.992 4.556 0.001 0.000 0.317 233 H C -2.998 172.350 175.328 0.034 0.000 1.321 233 H CA -1.799 54.286 56.048 0.061 0.000 1.243 233 H CB 0.474 30.282 29.762 0.076 0.000 1.924 233 H HN -0.241 nan 8.280 nan 0.000 0.527 234 P HA 0.385 nan 4.420 nan 0.000 0.279 234 P C 0.763 178.165 177.300 0.171 0.000 1.252 234 P CA 1.040 64.193 63.100 0.088 0.000 0.811 234 P CB 1.222 32.965 31.700 0.071 0.000 1.035 235 G N 1.514 110.343 108.800 0.049 0.000 2.578 235 G HA2 -0.170 3.790 3.960 0.001 0.000 0.275 235 G HA3 -0.170 3.790 3.960 0.001 0.000 0.275 235 G C 0.568 175.488 174.900 0.033 0.000 1.271 235 G CA 0.036 45.158 45.100 0.037 0.000 0.941 235 G HN 0.814 nan 8.290 nan 0.000 0.564 236 G N -1.338 107.361 108.800 -0.168 0.000 3.774 236 G HA2 0.586 4.547 3.960 0.001 0.000 0.287 236 G HA3 0.586 4.547 3.960 0.001 0.000 0.287 236 G C -0.228 174.002 174.900 -1.117 0.000 1.030 236 G CA 0.001 44.762 45.100 -0.565 0.000 0.824 236 G HN 0.517 nan 8.290 nan 0.000 0.518 237 F N -0.042 119.761 119.950 -0.245 0.000 2.588 237 F HA 0.731 5.258 4.527 0.001 0.000 0.314 237 F C 0.164 175.930 175.800 -0.057 0.000 1.069 237 F CA -0.972 56.930 58.000 -0.162 0.000 0.931 237 F CB 2.369 41.307 39.000 -0.105 0.000 1.260 237 F HN -0.157 nan 8.300 nan 0.000 0.465 238 S N 0.340 116.139 115.700 0.165 0.000 2.548 238 S HA 0.420 4.891 4.470 0.001 0.000 0.286 238 S C -1.257 173.234 174.600 -0.181 0.000 1.098 238 S CA -0.845 57.355 58.200 -0.001 0.000 0.930 238 S CB 2.110 65.226 63.200 -0.139 0.000 1.070 238 S HN 0.625 nan 8.310 nan 0.000 0.480 239 Q N 2.234 121.637 119.800 -0.662 0.000 2.243 239 Q HA 0.550 4.891 4.340 0.001 0.000 0.252 239 Q C -1.060 174.644 176.000 -0.493 0.000 0.909 239 Q CA -0.540 54.597 55.803 -1.109 0.000 0.922 239 Q CB 0.589 28.316 28.738 -1.685 0.000 1.215 239 Q HN 0.603 nan 8.270 nan 0.000 0.427 240 L N 2.832 123.816 121.223 -0.398 0.000 2.454 240 L HA 0.169 4.509 4.340 0.001 0.000 0.256 240 L C 1.281 178.065 176.870 -0.142 0.000 1.136 240 L CA -0.304 54.439 54.840 -0.161 0.000 0.804 240 L CB 0.563 42.562 42.059 -0.101 0.000 1.181 240 L HN 0.837 nan 8.230 nan 0.000 0.469 241 E N 0.574 120.745 120.200 -0.048 0.000 2.153 241 E HA -0.233 4.118 4.350 0.001 0.000 0.194 241 E C 0.897 177.472 176.600 -0.042 0.000 0.988 241 E CA 1.576 57.953 56.400 -0.038 0.000 0.811 241 E CB -0.064 29.636 29.700 -0.001 0.000 0.746 241 E HN 0.748 nan 8.360 nan 0.000 0.466 242 D N -1.055 119.325 120.400 -0.034 0.000 2.349 242 D HA 0.029 4.670 4.640 0.001 0.000 0.224 242 D C 1.236 177.515 176.300 -0.036 0.000 1.029 242 D CA 0.750 54.738 54.000 -0.021 0.000 0.879 242 D CB 0.366 41.166 40.800 0.001 0.000 0.906 242 D HN 0.228 nan 8.370 nan 0.000 0.528 243 G N -0.288 108.457 108.800 -0.093 0.000 2.232 243 G HA2 -0.296 3.664 3.960 0.001 0.000 0.226 243 G HA3 -0.296 3.664 3.960 0.001 0.000 0.226 243 G C 0.496 175.311 174.900 -0.141 0.000 0.996 243 G CA -0.150 44.888 45.100 -0.104 0.000 0.626 243 G HN 0.436 nan 8.290 nan 0.000 0.509 244 R N -0.912 119.522 120.500 -0.110 0.000 2.726 244 R HA 0.482 4.823 4.340 0.001 0.000 0.272 244 R C -0.496 175.680 176.300 -0.206 0.000 1.097 244 R CA 0.030 56.115 56.100 -0.024 0.000 1.198 244 R CB 0.382 30.689 30.300 0.011 0.000 1.114 244 R HN 0.242 nan 8.270 nan 0.000 0.550 245 W N 0.240 121.573 121.300 0.054 0.000 2.702 245 W HA 0.504 5.164 4.660 0.001 0.000 0.331 245 W C -0.740 175.866 176.519 0.145 0.000 1.049 245 W CA -0.513 56.879 57.345 0.077 0.000 1.230 245 W CB 1.603 31.101 29.460 0.063 0.000 1.408 245 W HN 0.145 nan 8.180 nan 0.000 0.492 246 V N 4.010 124.061 119.914 0.229 0.000 2.769 246 V HA 0.490 4.611 4.120 0.001 0.000 0.312 246 V C -1.071 175.198 176.094 0.292 0.000 1.061 246 V CA -1.003 61.352 62.300 0.091 0.000 0.931 246 V CB 1.642 33.060 31.823 -0.675 0.000 1.010 246 V HN 0.615 nan 8.190 nan 0.000 0.433 247 W N 5.548 126.985 121.300 0.227 0.000 2.446 247 W HA 0.423 5.084 4.660 0.001 0.000 0.316 247 W C -0.074 176.347 176.519 -0.164 0.000 1.376 247 W CA 0.364 57.640 57.345 -0.114 0.000 1.300 247 W CB 0.857 30.280 29.460 -0.061 0.000 1.351 247 W HN 0.775 nan 8.180 nan 0.000 0.530 248 T N 1.791 116.344 114.554 -0.002 0.000 3.133 248 T HA 0.140 4.490 4.350 0.001 0.000 0.368 248 T C 0.739 175.403 174.700 -0.060 0.000 1.190 248 T CA -0.495 61.624 62.100 0.032 0.000 1.282 248 T CB 0.849 69.685 68.868 -0.053 0.000 1.042 248 T HN 0.259 nan 8.240 nan 0.000 0.536 249 T N 2.334 116.807 114.554 -0.135 0.000 2.720 249 T HA 0.048 4.399 4.350 0.001 0.000 0.268 249 T C 0.503 174.722 174.700 -0.802 0.000 1.037 249 T CA 1.594 63.352 62.100 -0.569 0.000 1.144 249 T CB -0.315 67.903 68.868 -1.083 0.000 0.864 249 T HN 0.563 nan 8.240 nan 0.000 0.444 250 F N 0.517 120.357 119.950 -0.184 0.000 2.812 250 F HA 0.363 4.890 4.527 0.001 0.000 0.169 250 F C 1.375 177.279 175.800 0.173 0.000 1.243 250 F CA -1.036 56.893 58.000 -0.118 0.000 0.926 250 F CB -0.520 38.355 39.000 -0.209 0.000 2.170 250 F HN -0.168 nan 8.300 nan 0.000 0.587 251 N N 0.228 119.090 118.700 0.270 0.000 2.399 251 N HA 0.017 4.758 4.740 0.001 0.000 0.250 251 N C 0.817 176.227 175.510 -0.167 0.000 1.272 251 N CA 0.233 53.197 53.050 -0.142 0.000 0.928 251 N CB 1.059 38.929 38.487 -1.028 0.000 1.158 251 N HN 0.233 nan 8.380 nan 0.000 0.463 252 S N 0.268 115.895 115.700 -0.122 0.000 2.442 252 S HA -0.114 4.357 4.470 0.001 0.000 0.236 252 S C 1.202 175.905 174.600 0.172 0.000 1.007 252 S CA 0.914 59.124 58.200 0.017 0.000 0.965 252 S CB -0.306 62.943 63.200 0.082 0.000 0.773 252 S HN 0.611 nan 8.310 nan 0.000 0.504 253 F N 1.067 121.163 119.950 0.243 0.000 2.692 253 F HA 0.483 5.010 4.527 0.001 0.000 0.303 253 F C 0.240 176.129 175.800 0.148 0.000 1.114 253 F CA -0.779 57.317 58.000 0.160 0.000 1.361 253 F CB -0.681 38.372 39.000 0.088 0.000 1.063 253 F HN -0.023 nan 8.300 nan 0.000 0.550 254 Q N 1.030 120.980 119.800 0.250 0.000 2.363 254 Q HA 0.223 4.564 4.340 0.001 0.000 0.265 254 Q C -1.617 174.692 176.000 0.516 0.000 1.032 254 Q CA -0.591 55.411 55.803 0.331 0.000 0.746 254 Q CB 1.132 29.963 28.738 0.154 0.000 1.237 254 Q HN 0.226 nan 8.270 nan 0.000 0.475 255 W N 2.125 123.594 121.300 0.283 0.000 2.335 255 W HA 0.257 4.918 4.660 0.001 0.000 0.307 255 W C -0.332 176.508 176.519 0.534 0.000 1.117 255 W CA -1.404 56.141 57.345 0.334 0.000 1.228 255 W CB 0.509 30.063 29.460 0.158 0.000 1.240 255 W HN 0.486 nan 8.180 nan 0.000 0.468 256 D N 2.563 123.343 120.400 0.633 0.000 2.450 256 D HA 0.113 4.754 4.640 0.001 0.000 0.247 256 D C 0.249 176.827 176.300 0.463 0.000 1.162 256 D CA 0.285 54.569 54.000 0.473 0.000 0.879 256 D CB 0.655 41.544 40.800 0.149 0.000 1.163 256 D HN 0.058 nan 8.370 nan 0.000 0.472 257 L N 2.730 124.099 121.223 0.244 0.000 2.439 257 L HA 0.108 4.448 4.340 0.001 0.000 0.269 257 L C 0.925 177.684 176.870 -0.185 0.000 1.179 257 L CA -0.248 54.500 54.840 -0.154 0.000 0.828 257 L CB 0.402 42.331 42.059 -0.217 0.000 1.106 257 L HN 0.342 nan 8.230 nan 0.000 0.467 258 N N 1.716 120.101 118.700 -0.525 0.000 2.602 258 N HA 0.060 4.800 4.740 0.001 0.000 0.238 258 N C 0.173 175.418 175.510 -0.441 0.000 1.084 258 N CA -0.015 52.635 53.050 -0.667 0.000 0.952 258 N CB 0.268 38.186 38.487 -0.948 0.000 1.244 258 N HN 0.375 nan 8.380 nan 0.000 0.512 259 Y N 0.516 120.786 120.300 -0.050 0.000 2.578 259 Y HA -0.080 4.470 4.550 0.001 0.000 0.297 259 Y C 2.249 178.346 175.900 0.329 0.000 1.176 259 Y CA 0.481 58.687 58.100 0.177 0.000 1.315 259 Y CB 0.076 38.744 38.460 0.347 0.000 1.031 259 Y HN 0.543 nan 8.280 nan 0.000 0.524 260 S N -1.019 114.765 115.700 0.142 0.000 2.561 260 S HA -0.053 4.417 4.470 0.001 0.000 0.225 260 S C 0.626 175.395 174.600 0.281 0.000 0.977 260 S CA 0.007 58.340 58.200 0.222 0.000 0.926 260 S CB -0.313 62.821 63.200 -0.111 0.000 0.769 260 S HN 0.298 nan 8.310 nan 0.000 0.533 261 N N 2.320 121.065 118.700 0.075 0.000 2.457 261 N HA 0.396 5.136 4.740 0.001 0.000 0.250 261 N C -2.362 173.032 175.510 -0.193 0.000 0.982 261 N CA -2.481 50.525 53.050 -0.073 0.000 0.941 261 N CB 1.704 40.082 38.487 -0.182 0.000 1.120 261 N HN -0.101 nan 8.380 nan 0.000 0.505 262 P HA -0.072 nan 4.420 nan 0.000 0.217 262 P C 0.623 177.598 177.300 -0.543 0.000 1.148 262 P CA 1.302 63.852 63.100 -0.916 0.000 0.828 262 P CB 0.011 30.935 31.700 -1.293 0.000 0.783 263 W N -1.220 119.934 121.300 -0.244 0.000 2.465 263 W HA -0.067 4.594 4.660 0.001 0.000 0.268 263 W C 1.984 178.291 176.519 -0.353 0.000 1.242 263 W CA 0.130 57.355 57.345 -0.200 0.000 1.248 263 W CB -0.950 28.436 29.460 -0.123 0.000 1.118 263 W HN -0.217 nan 8.180 nan 0.000 0.587 264 V N -0.179 119.481 119.914 -0.423 0.000 2.488 264 V HA -0.279 3.842 4.120 0.001 0.000 0.246 264 V C 1.834 177.799 176.094 -0.214 0.000 1.046 264 V CA 1.599 63.472 62.300 -0.710 0.000 1.053 264 V CB -0.941 30.308 31.823 -0.956 0.000 0.679 264 V HN 0.176 nan 8.190 nan 0.000 0.458 265 F N 1.090 120.994 119.950 -0.076 0.000 2.134 265 F HA -0.158 4.370 4.527 0.001 0.000 0.299 265 F C 2.633 178.528 175.800 0.159 0.000 1.097 265 F CA 1.835 59.953 58.000 0.198 0.000 1.264 265 F CB -0.249 38.843 39.000 0.154 0.000 1.001 265 F HN -0.084 nan 8.300 nan 0.000 0.479 266 R N 1.152 121.764 120.500 0.187 0.000 2.073 266 R HA -0.151 4.190 4.340 0.001 0.000 0.234 266 R C 2.285 178.662 176.300 0.129 0.000 1.134 266 R CA 1.520 57.719 56.100 0.165 0.000 0.952 266 R CB -1.177 29.262 30.300 0.232 0.000 0.850 266 R HN 0.427 nan 8.270 nan 0.000 0.433 267 A N 0.838 123.719 122.820 0.102 0.000 1.883 267 A HA -0.165 4.156 4.320 0.001 0.000 0.217 267 A C 2.200 179.914 177.584 0.218 0.000 1.186 267 A CA 1.746 53.845 52.037 0.104 0.000 0.624 267 A CB -0.375 18.543 19.000 -0.137 0.000 0.822 267 A HN 0.229 nan 8.150 nan 0.000 0.444 268 M N -0.561 119.169 119.600 0.216 0.000 2.319 268 M HA 0.026 4.507 4.480 0.001 0.000 0.265 268 M C 2.405 178.938 176.300 0.388 0.000 1.068 268 M CA 1.175 56.669 55.300 0.322 0.000 1.118 268 M CB -1.530 31.343 32.600 0.455 0.000 1.395 268 M HN 0.490 nan 8.290 nan 0.000 0.435 269 A N 0.196 123.172 122.820 0.260 0.000 1.930 269 A HA 0.040 4.361 4.320 0.001 0.000 0.217 269 A C 2.419 180.119 177.584 0.194 0.000 1.175 269 A CA 1.788 53.950 52.037 0.209 0.000 0.627 269 A CB -1.315 17.650 19.000 -0.059 0.000 0.815 269 A HN 0.489 nan 8.150 nan 0.000 0.443 270 G N -0.454 108.464 108.800 0.198 0.000 2.422 270 G HA2 -0.170 3.791 3.960 0.001 0.000 0.218 270 G HA3 -0.170 3.791 3.960 0.001 0.000 0.218 270 G C 1.361 176.396 174.900 0.226 0.000 1.146 270 G CA 0.956 46.180 45.100 0.207 0.000 0.769 270 G HN 0.453 nan 8.290 nan 0.000 0.547 271 E N -0.043 120.293 120.200 0.227 0.000 2.106 271 E HA -0.070 4.281 4.350 0.001 0.000 0.192 271 E C 2.310 179.064 176.600 0.255 0.000 0.984 271 E CA 0.552 57.076 56.400 0.206 0.000 0.806 271 E CB -0.401 29.295 29.700 -0.006 0.000 0.750 271 E HN 0.533 nan 8.360 nan 0.000 0.458 272 M N 0.202 119.903 119.600 0.169 0.000 2.117 272 M HA -0.126 4.355 4.480 0.001 0.000 0.262 272 M C 2.029 178.334 176.300 0.008 0.000 1.065 272 M CA 1.180 56.406 55.300 -0.123 0.000 1.114 272 M CB 0.014 32.363 32.600 -0.418 0.000 1.361 272 M HN 0.048 nan 8.290 nan 0.000 0.408 273 L N -0.618 120.669 121.223 0.108 0.000 2.093 273 L HA -0.188 4.153 4.340 0.001 0.000 0.208 273 L C 2.394 179.346 176.870 0.136 0.000 1.085 273 L CA 1.058 55.974 54.840 0.126 0.000 0.755 273 L CB -0.765 41.392 42.059 0.163 0.000 0.904 273 L HN 0.344 nan 8.230 nan 0.000 0.435 274 F N 0.766 120.750 119.950 0.057 0.000 2.102 274 F HA -0.219 4.309 4.527 0.001 0.000 0.298 274 F C 2.136 177.968 175.800 0.053 0.000 1.105 274 F CA 1.572 59.606 58.000 0.057 0.000 1.239 274 F CB -0.241 38.794 39.000 0.059 0.000 0.991 274 F HN -0.135 nan 8.300 nan 0.000 0.474 275 L N 0.005 121.181 121.223 -0.078 0.000 2.093 275 L HA -0.159 4.182 4.340 0.001 0.000 0.208 275 L C 2.837 179.627 176.870 -0.134 0.000 1.085 275 L CA 1.064 55.809 54.840 -0.157 0.000 0.755 275 L CB -1.269 40.806 42.059 0.027 0.000 0.904 275 L HN 0.276 nan 8.230 nan 0.000 0.435 276 A N 0.338 123.119 122.820 -0.065 0.000 1.908 276 A HA -0.226 4.095 4.320 0.001 0.000 0.218 276 A C 1.916 179.472 177.584 -0.047 0.000 1.181 276 A CA 2.077 54.097 52.037 -0.028 0.000 0.627 276 A CB -0.574 18.436 19.000 0.017 0.000 0.818 276 A HN 0.416 nan 8.150 nan 0.000 0.445 277 N N -0.319 118.332 118.700 -0.082 0.000 2.515 277 N HA 0.077 4.818 4.740 0.001 0.000 0.185 277 N C 1.178 176.608 175.510 -0.133 0.000 1.109 277 N CA 0.416 53.414 53.050 -0.087 0.000 0.903 277 N CB -0.233 38.216 38.487 -0.063 0.000 0.969 277 N HN 0.516 nan 8.380 nan 0.000 0.450 278 L N -1.279 119.824 121.223 -0.200 0.000 2.492 278 L HA 0.143 4.483 4.340 0.001 0.000 0.223 278 L C 1.136 177.956 176.870 -0.083 0.000 1.132 278 L CA 0.512 55.243 54.840 -0.181 0.000 0.850 278 L CB -0.087 41.831 42.059 -0.235 0.000 0.966 278 L HN 0.258 nan 8.230 nan 0.000 0.454 279 G N -0.308 108.469 108.800 -0.038 0.000 2.148 279 G HA2 -0.213 3.748 3.960 0.001 0.000 0.203 279 G HA3 -0.213 3.748 3.960 0.001 0.000 0.203 279 G C 0.177 175.129 174.900 0.087 0.000 0.993 279 G CA -0.185 44.952 45.100 0.062 0.000 0.661 279 G HN 0.025 nan 8.290 nan 0.000 0.518 280 V N 1.370 121.293 119.914 0.015 0.000 2.673 280 V HA 0.141 4.262 4.120 0.001 0.000 0.303 280 V C 1.310 177.432 176.094 0.048 0.000 1.046 280 V CA 1.026 63.339 62.300 0.022 0.000 1.126 280 V CB 1.152 32.980 31.823 0.009 0.000 0.934 280 V HN 0.364 nan 8.190 nan 0.000 0.487 281 D N 3.313 123.743 120.400 0.051 0.000 2.259 281 D HA 0.223 4.864 4.640 0.001 0.000 0.216 281 D C 0.332 176.704 176.300 0.119 0.000 0.961 281 D CA 1.104 55.132 54.000 0.046 0.000 0.878 281 D CB 0.820 41.631 40.800 0.018 0.000 1.009 281 D HN 0.394 nan 8.370 nan 0.000 0.490 282 I N 1.362 121.973 120.570 0.069 0.000 2.569 282 I HA 0.242 4.413 4.170 0.001 0.000 0.290 282 I C -0.897 175.248 176.117 0.047 0.000 1.088 282 I CA -0.585 60.782 61.300 0.112 0.000 1.047 282 I CB 2.945 40.976 38.000 0.051 0.000 1.237 282 I HN -0.283 nan 8.210 nan 0.000 0.421 283 L N 5.709 126.999 121.223 0.112 0.000 2.287 283 L HA 0.500 4.840 4.340 0.001 0.000 0.287 283 L C 0.230 177.099 176.870 -0.002 0.000 1.022 283 L CA -0.571 54.280 54.840 0.019 0.000 0.814 283 L CB 1.480 43.478 42.059 -0.101 0.000 1.217 283 L HN 0.530 nan 8.230 nan 0.000 0.420 284 R N 4.555 125.043 120.500 -0.020 0.000 2.242 284 R HA 0.252 4.592 4.340 0.001 0.000 0.334 284 R C -0.549 175.778 176.300 0.045 0.000 1.071 284 R CA -0.636 55.474 56.100 0.016 0.000 0.922 284 R CB 0.528 30.810 30.300 -0.030 0.000 1.023 284 R HN 0.489 nan 8.270 nan 0.000 0.458 285 M N 4.088 123.683 119.600 -0.008 0.000 2.557 285 M HA 0.058 4.539 4.480 0.001 0.000 0.328 285 M C -0.470 175.932 176.300 0.170 0.000 1.423 285 M CA -0.243 55.011 55.300 -0.077 0.000 1.418 285 M CB -0.214 32.240 32.600 -0.243 0.000 1.381 285 M HN 0.508 nan 8.290 nan 0.000 0.467 286 D N 2.975 123.527 120.400 0.252 0.000 2.390 286 D HA 0.371 5.011 4.640 0.001 0.000 0.249 286 D C 0.625 177.108 176.300 0.304 0.000 1.144 286 D CA 0.587 54.734 54.000 0.245 0.000 0.880 286 D CB 0.746 41.685 40.800 0.233 0.000 1.182 286 D HN 0.813 nan 8.370 nan 0.000 0.451 287 A N 2.703 125.659 122.820 0.226 0.000 2.745 287 A HA -0.205 4.115 4.320 0.001 0.000 0.296 287 A C 1.627 179.397 177.584 0.310 0.000 1.500 287 A CA 0.970 53.236 52.037 0.380 0.000 0.766 287 A CB -2.364 16.923 19.000 0.477 0.000 1.030 287 A HN 1.042 nan 8.150 nan 0.000 0.489 288 V N -3.150 116.861 119.914 0.161 0.000 2.469 288 V HA -0.080 4.041 4.120 0.001 0.000 0.251 288 V C 2.481 178.520 176.094 -0.091 0.000 1.064 288 V CA 2.552 64.885 62.300 0.055 0.000 1.066 288 V CB -1.559 30.178 31.823 -0.143 0.000 0.667 288 V HN 1.883 nan 8.190 nan 0.000 0.461 289 A N -0.082 122.597 122.820 -0.235 0.000 2.070 289 A HA 0.043 4.363 4.320 0.001 0.000 0.220 289 A C 1.789 179.135 177.584 -0.397 0.000 1.159 289 A CA 1.726 53.567 52.037 -0.326 0.000 0.656 289 A CB -0.815 17.847 19.000 -0.563 0.000 0.800 289 A HN 0.648 nan 8.150 nan 0.000 0.453 290 F N -0.246 119.703 119.950 -0.002 0.000 2.727 290 F HA 0.195 4.723 4.527 0.001 0.000 0.302 290 F C 1.681 177.425 175.800 -0.092 0.000 1.097 290 F CA 0.023 57.996 58.000 -0.045 0.000 1.330 290 F CB -0.225 38.753 39.000 -0.037 0.000 1.084 290 F HN 0.302 nan 8.300 nan 0.000 0.578 291 I N -2.672 117.920 120.570 0.036 0.000 3.334 291 I HA -0.085 4.085 4.170 0.001 0.000 0.282 291 I C 0.254 176.477 176.117 0.177 0.000 1.313 291 I CA 0.708 62.005 61.300 -0.005 0.000 1.396 291 I CB -0.046 37.752 38.000 -0.337 0.000 1.054 291 I HN 0.170 nan 8.210 nan 0.000 0.495 292 W N 2.964 124.217 121.300 -0.078 0.000 2.998 292 W HA 0.422 5.083 4.660 0.001 0.000 0.335 292 W C -1.218 175.233 176.519 -0.114 0.000 1.110 292 W CA -0.822 56.492 57.345 -0.052 0.000 1.230 292 W CB 2.010 31.445 29.460 -0.042 0.000 1.405 292 W HN -0.171 nan 8.180 nan 0.000 0.493 293 K N 3.852 123.849 120.400 -0.672 0.000 2.259 293 K HA 0.482 4.803 4.320 0.001 0.000 0.249 293 K C -0.978 175.471 176.600 -0.251 0.000 0.942 293 K CA -1.055 54.938 56.287 -0.491 0.000 0.816 293 K CB 2.357 34.285 32.500 -0.954 0.000 1.155 293 K HN 0.410 nan 8.250 nan 0.000 0.428 294 Q N 1.814 121.678 119.800 0.107 0.000 2.313 294 Q HA 0.274 4.615 4.340 0.001 0.000 0.255 294 Q C -1.367 174.833 176.000 0.333 0.000 0.944 294 Q CA -0.467 55.479 55.803 0.238 0.000 0.881 294 Q CB 1.442 30.333 28.738 0.255 0.000 1.375 294 Q HN 0.609 nan 8.270 nan 0.000 0.422 295 M N 3.436 123.248 119.600 0.354 0.000 2.248 295 M HA 0.359 4.839 4.480 0.001 0.000 0.343 295 M C 1.186 177.548 176.300 0.104 0.000 1.243 295 M CA 2.553 57.947 55.300 0.157 0.000 1.025 295 M CB -0.074 32.465 32.600 -0.102 0.000 1.759 295 M HN 1.037 nan 8.290 nan 0.000 0.452 296 G N 2.218 111.063 108.800 0.075 0.000 2.199 296 G HA2 -0.233 3.728 3.960 0.001 0.000 0.254 296 G HA3 -0.233 3.728 3.960 0.001 0.000 0.254 296 G C 0.214 175.163 174.900 0.081 0.000 0.982 296 G CA 0.638 45.770 45.100 0.053 0.000 0.632 296 G HN 1.243 nan 8.290 nan 0.000 0.529 297 T N -2.425 112.206 114.554 0.129 0.000 2.927 297 T HA 0.694 5.045 4.350 0.001 0.000 0.286 297 T C 1.562 176.343 174.700 0.136 0.000 1.040 297 T CA 0.842 63.014 62.100 0.119 0.000 1.010 297 T CB 1.475 70.421 68.868 0.130 0.000 1.177 297 T HN 1.078 nan 8.240 nan 0.000 0.546 298 S N -1.074 114.689 115.700 0.105 0.000 2.555 298 S HA 0.031 4.502 4.470 0.001 0.000 0.230 298 S C 1.215 175.892 174.600 0.128 0.000 0.978 298 S CA 0.193 58.454 58.200 0.103 0.000 0.934 298 S CB -1.524 61.714 63.200 0.063 0.000 0.766 298 S HN 1.122 nan 8.310 nan 0.000 0.533 299 C N 1.389 120.770 119.300 0.135 0.000 4.365 299 C HA -0.110 4.351 4.460 0.001 0.000 0.299 299 C C 0.103 175.119 174.990 0.043 0.000 1.409 299 C CA 0.507 59.594 59.018 0.116 0.000 2.007 299 C CB -2.773 25.071 27.740 0.174 0.000 1.264 299 C HN 0.745 nan 8.230 nan 0.000 0.777 300 E N -0.170 120.028 120.200 -0.004 0.000 2.292 300 E HA 0.373 4.724 4.350 0.001 0.000 0.272 300 E C 0.176 176.751 176.600 -0.042 0.000 0.881 300 E CA -0.785 55.528 56.400 -0.146 0.000 0.754 300 E CB 1.085 30.658 29.700 -0.212 0.000 1.201 300 E HN 0.322 nan 8.360 nan 0.000 0.425 301 N N 1.125 119.809 118.700 -0.028 0.000 2.714 301 N HA -0.208 4.533 4.740 0.001 0.000 0.250 301 N C -0.275 175.273 175.510 0.063 0.000 1.117 301 N CA 0.786 53.874 53.050 0.064 0.000 0.719 301 N CB -1.476 37.083 38.487 0.119 0.000 1.081 301 N HN 0.487 nan 8.380 nan 0.000 0.557 302 L N 0.304 121.563 121.223 0.060 0.000 2.467 302 L HA 0.072 4.412 4.340 0.001 0.000 0.270 302 L C -0.576 176.314 176.870 0.034 0.000 1.205 302 L CA -1.287 53.602 54.840 0.081 0.000 0.828 302 L CB 0.111 42.286 42.059 0.193 0.000 1.101 302 L HN -0.178 nan 8.230 nan 0.000 0.479 303 P HA -0.207 nan 4.420 nan 0.000 0.216 303 P C 1.077 178.269 177.300 -0.181 0.000 1.153 303 P CA 1.231 64.297 63.100 -0.056 0.000 0.858 303 P CB 0.193 31.827 31.700 -0.110 0.000 0.789 304 Q N -0.928 118.613 119.800 -0.432 0.000 2.226 304 Q HA -0.060 4.281 4.340 0.001 0.000 0.204 304 Q C 2.174 177.927 176.000 -0.412 0.000 0.975 304 Q CA 1.618 56.989 55.803 -0.720 0.000 0.866 304 Q CB -1.062 26.587 28.738 -1.815 0.000 0.915 304 Q HN 0.201 nan 8.270 nan 0.000 0.440 305 A N 0.268 122.970 122.820 -0.195 0.000 1.873 305 A HA -0.213 4.107 4.320 0.001 0.000 0.215 305 A C 1.712 179.254 177.584 -0.071 0.000 1.186 305 A CA 1.405 53.398 52.037 -0.073 0.000 0.616 305 A CB -0.649 18.321 19.000 -0.050 0.000 0.823 305 A HN 0.386 nan 8.150 nan 0.000 0.442 306 H N -0.361 118.698 119.070 -0.019 0.000 2.353 306 H HA -0.052 4.505 4.556 0.001 0.000 0.300 306 H C 2.579 177.889 175.328 -0.029 0.000 1.090 306 H CA 1.475 57.509 56.048 -0.023 0.000 1.327 306 H CB -0.476 29.197 29.762 -0.148 0.000 1.383 306 H HN 0.528 nan 8.280 nan 0.000 0.508 307 A N 1.176 123.990 122.820 -0.010 0.000 1.902 307 A HA -0.118 4.202 4.320 0.001 0.000 0.217 307 A C 2.724 180.257 177.584 -0.086 0.000 1.181 307 A CA 1.067 53.044 52.037 -0.100 0.000 0.623 307 A CB -0.887 17.972 19.000 -0.235 0.000 0.818 307 A HN 0.264 nan 8.150 nan 0.000 0.443 308 L N -0.651 120.522 121.223 -0.082 0.000 2.046 308 L HA -0.176 4.165 4.340 0.001 0.000 0.208 308 L C 2.445 179.476 176.870 0.268 0.000 1.077 308 L CA 1.259 56.101 54.840 0.004 0.000 0.747 308 L CB -0.464 41.616 42.059 0.035 0.000 0.896 308 L HN 0.385 nan 8.230 nan 0.000 0.432 309 I N -0.748 120.027 120.570 0.342 0.000 2.315 309 I HA -0.253 3.918 4.170 0.001 0.000 0.248 309 I C 2.641 178.999 176.117 0.402 0.000 1.117 309 I CA 1.114 62.697 61.300 0.472 0.000 1.404 309 I CB -0.300 37.930 38.000 0.383 0.000 1.071 309 I HN 0.184 nan 8.210 nan 0.000 0.419 310 R N 0.702 121.341 120.500 0.232 0.000 2.148 310 R HA -0.064 4.276 4.340 0.001 0.000 0.227 310 R C 2.414 178.788 176.300 0.124 0.000 1.103 310 R CA 1.228 57.415 56.100 0.146 0.000 0.983 310 R CB -0.321 30.009 30.300 0.049 0.000 0.874 310 R HN 0.359 nan 8.270 nan 0.000 0.451 311 A N 0.686 123.565 122.820 0.099 0.000 1.873 311 A HA -0.110 4.211 4.320 0.001 0.000 0.215 311 A C 1.900 179.644 177.584 0.266 0.000 1.186 311 A CA 0.978 53.044 52.037 0.049 0.000 0.616 311 A CB -0.618 18.258 19.000 -0.208 0.000 0.823 311 A HN 0.208 nan 8.150 nan 0.000 0.442 312 F N 0.497 120.705 119.950 0.429 0.000 2.126 312 F HA -0.223 4.304 4.527 0.001 0.000 0.299 312 F C 2.530 178.533 175.800 0.338 0.000 1.096 312 F CA 1.357 59.572 58.000 0.359 0.000 1.255 312 F CB -0.188 38.938 39.000 0.211 0.000 0.997 312 F HN 0.327 nan 8.300 nan 0.000 0.479 313 N N 1.164 120.169 118.700 0.507 0.000 2.069 313 N HA -0.203 4.538 4.740 0.001 0.000 0.191 313 N C 1.934 177.406 175.510 -0.064 0.000 1.031 313 N CA 1.592 54.675 53.050 0.055 0.000 0.852 313 N CB -0.319 38.157 38.487 -0.017 0.000 1.018 313 N HN 0.263 nan 8.380 nan 0.000 0.423 314 A N 0.743 123.571 122.820 0.014 0.000 1.940 314 A HA -0.065 4.256 4.320 0.001 0.000 0.219 314 A C 2.592 180.175 177.584 -0.003 0.000 1.176 314 A CA 1.488 53.504 52.037 -0.035 0.000 0.631 314 A CB -0.763 18.236 19.000 -0.003 0.000 0.814 314 A HN 0.203 nan 8.150 nan 0.000 0.446 315 V N -0.119 119.861 119.914 0.111 0.000 2.407 315 V HA -0.288 3.833 4.120 0.001 0.000 0.248 315 V C 2.649 178.789 176.094 0.076 0.000 1.055 315 V CA 1.974 64.363 62.300 0.149 0.000 1.049 315 V CB -0.650 31.323 31.823 0.249 0.000 0.662 315 V HN 0.514 nan 8.190 nan 0.000 0.455 316 M N -0.669 118.942 119.600 0.018 0.000 2.175 316 M HA -0.048 4.433 4.480 0.001 0.000 0.264 316 M C 2.285 178.493 176.300 -0.153 0.000 1.063 316 M CA 1.444 56.708 55.300 -0.060 0.000 1.119 316 M CB -1.126 31.374 32.600 -0.167 0.000 1.377 316 M HN 0.276 nan 8.290 nan 0.000 0.415 317 R N 0.181 120.509 120.500 -0.286 0.000 2.152 317 R HA -0.006 4.335 4.340 0.001 0.000 0.232 317 R C 2.029 178.114 176.300 -0.358 0.000 1.117 317 R CA 1.142 56.941 56.100 -0.502 0.000 0.981 317 R CB -0.732 28.942 30.300 -1.044 0.000 0.870 317 R HN 0.442 nan 8.270 nan 0.000 0.451 318 I N -0.435 120.021 120.570 -0.191 0.000 2.429 318 I HA -0.043 4.127 4.170 0.001 0.000 0.247 318 I C 2.010 178.079 176.117 -0.079 0.000 1.099 318 I CA 1.006 62.221 61.300 -0.143 0.000 1.422 318 I CB -0.094 37.850 38.000 -0.094 0.000 1.112 318 I HN 0.007 nan 8.210 nan 0.000 0.430 319 A N 0.088 122.948 122.820 0.067 0.000 2.343 319 A HA 0.695 5.016 4.320 0.001 0.000 0.223 319 A C 0.979 178.704 177.584 0.235 0.000 1.214 319 A CA 0.562 52.724 52.037 0.209 0.000 0.900 319 A CB 0.256 19.446 19.000 0.317 0.000 0.942 319 A HN 0.292 nan 8.150 nan 0.000 0.507 320 A N -0.302 122.586 122.820 0.114 0.000 3.208 320 A HA 0.560 4.881 4.320 0.001 0.000 0.252 320 A C -2.209 175.396 177.584 0.035 0.000 1.225 320 A CA -0.411 51.697 52.037 0.118 0.000 0.980 320 A CB -0.009 19.054 19.000 0.105 0.000 1.414 320 A HN 0.009 nan 8.150 nan 0.000 0.721 321 P HA -0.208 nan 4.420 nan 0.000 0.218 321 P C 1.704 179.046 177.300 0.071 0.000 1.146 321 P CA 2.078 65.167 63.100 -0.018 0.000 0.820 321 P CB 0.324 32.013 31.700 -0.018 0.000 0.778 322 A N -1.106 121.747 122.820 0.055 0.000 2.066 322 A HA -0.013 4.308 4.320 0.001 0.000 0.218 322 A C 1.002 178.679 177.584 0.156 0.000 1.157 322 A CA 0.593 52.647 52.037 0.028 0.000 0.670 322 A CB -0.923 18.024 19.000 -0.089 0.000 0.804 322 A HN 0.037 nan 8.150 nan 0.000 0.453 323 V N 1.582 121.587 119.914 0.152 0.000 2.439 323 V HA 0.262 4.382 4.120 0.001 0.000 0.271 323 V C -0.326 175.902 176.094 0.223 0.000 1.040 323 V CA 0.030 62.435 62.300 0.175 0.000 1.002 323 V CB -0.335 31.532 31.823 0.073 0.000 1.000 323 V HN 0.297 nan 8.190 nan 0.000 0.477 324 F N 4.407 124.362 119.950 0.008 0.000 2.497 324 F HA 0.727 5.255 4.527 0.001 0.000 0.331 324 F C -0.067 175.793 175.800 0.099 0.000 1.060 324 F CA -1.283 56.690 58.000 -0.045 0.000 0.989 324 F CB 1.466 40.559 39.000 0.156 0.000 1.245 324 F HN 0.237 nan 8.300 nan 0.000 0.486 325 F N 0.728 120.726 119.950 0.081 0.000 2.508 325 F HA 0.458 4.985 4.527 0.001 0.000 0.325 325 F C -0.121 175.699 175.800 0.032 0.000 1.090 325 F CA -1.743 56.258 58.000 0.001 0.000 0.945 325 F CB 1.679 40.641 39.000 -0.063 0.000 1.156 325 F HN 0.181 nan 8.300 nan 0.000 0.463 326 K N 1.949 122.475 120.400 0.210 0.000 2.425 326 K HA 0.472 4.792 4.320 0.001 0.000 0.259 326 K C -0.638 176.041 176.600 0.133 0.000 0.978 326 K CA -0.394 55.961 56.287 0.114 0.000 0.883 326 K CB 0.980 33.496 32.500 0.027 0.000 1.110 326 K HN 0.712 nan 8.250 nan 0.000 0.436 327 S N 2.899 118.693 115.700 0.157 0.000 2.528 327 S HA 0.088 4.558 4.470 0.001 0.000 0.277 327 S C -0.110 174.649 174.600 0.266 0.000 1.297 327 S CA -0.647 57.649 58.200 0.160 0.000 1.052 327 S CB 1.180 64.474 63.200 0.156 0.000 0.917 327 S HN 0.722 nan 8.310 nan 0.000 0.492 328 E N 2.334 122.645 120.200 0.186 0.000 2.103 328 E HA 0.456 4.807 4.350 0.001 0.000 0.254 328 E C -1.141 175.468 176.600 0.015 0.000 0.940 328 E CA -0.601 55.889 56.400 0.150 0.000 0.771 328 E CB 0.584 30.322 29.700 0.064 0.000 1.153 328 E HN 0.829 nan 8.360 nan 0.000 0.428 329 A N 6.399 129.233 122.820 0.024 0.000 2.483 329 A HA 0.350 4.670 4.320 0.001 0.000 0.308 329 A C -0.479 177.152 177.584 0.078 0.000 1.291 329 A CA -0.638 51.370 52.037 -0.048 0.000 0.774 329 A CB 0.250 19.137 19.000 -0.190 0.000 1.134 329 A HN 0.483 nan 8.150 nan 0.000 0.471 330 I N 4.556 125.163 120.570 0.061 0.000 2.243 330 I HA 0.259 4.429 4.170 0.001 0.000 0.289 330 I C 0.384 176.548 176.117 0.078 0.000 1.140 330 I CA 0.105 61.447 61.300 0.069 0.000 1.289 330 I CB -0.779 37.235 38.000 0.025 0.000 1.498 330 I HN 0.444 nan 8.210 nan 0.000 0.561 331 V N 0.783 120.759 119.914 0.104 0.000 3.119 331 V HA 0.525 4.646 4.120 0.001 0.000 0.309 331 V C 0.390 176.572 176.094 0.146 0.000 1.304 331 V CA -1.027 61.343 62.300 0.117 0.000 1.057 331 V CB 1.766 33.664 31.823 0.126 0.000 1.150 331 V HN 0.482 nan 8.190 nan 0.000 0.474 332 H N 1.444 120.562 119.070 0.079 0.000 3.001 332 H HA 0.177 4.734 4.556 0.001 0.000 0.334 332 H C -1.999 173.399 175.328 0.117 0.000 1.034 332 H CA -0.328 55.768 56.048 0.080 0.000 1.420 332 H CB 1.799 31.601 29.762 0.066 0.000 1.405 332 H HN 0.388 nan 8.280 nan 0.000 0.593 333 P HA -0.172 nan 4.420 nan 0.000 0.217 333 P C 0.950 178.419 177.300 0.283 0.000 1.151 333 P CA 1.492 64.664 63.100 0.120 0.000 0.849 333 P CB 0.335 32.032 31.700 -0.004 0.000 0.787 334 D N -1.347 119.339 120.400 0.477 0.000 2.178 334 D HA -0.143 4.497 4.640 0.001 0.000 0.201 334 D C 1.915 178.335 176.300 0.200 0.000 0.980 334 D CA 1.164 55.338 54.000 0.291 0.000 0.842 334 D CB -0.313 40.604 40.800 0.195 0.000 0.948 334 D HN 0.188 nan 8.370 nan 0.000 0.472 335 Q N -0.282 119.669 119.800 0.252 0.000 2.250 335 Q HA 0.056 4.396 4.340 0.001 0.000 0.200 335 Q C 2.337 178.530 176.000 0.322 0.000 0.941 335 Q CA 0.074 56.007 55.803 0.216 0.000 0.872 335 Q CB -0.228 28.647 28.738 0.228 0.000 0.965 335 Q HN 0.099 nan 8.270 nan 0.000 0.480 336 V N 0.706 120.836 119.914 0.359 0.000 2.287 336 V HA -0.238 3.883 4.120 0.001 0.000 0.248 336 V C 2.178 178.531 176.094 0.433 0.000 1.053 336 V CA 1.969 64.534 62.300 0.441 0.000 1.027 336 V CB -0.960 31.105 31.823 0.404 0.000 0.646 336 V HN 0.392 nan 8.190 nan 0.000 0.447 337 V N -1.955 118.149 119.914 0.317 0.000 2.913 337 V HA -0.228 3.892 4.120 0.001 0.000 0.260 337 V C 2.023 178.142 176.094 0.042 0.000 1.098 337 V CA 1.638 64.032 62.300 0.155 0.000 1.121 337 V CB -0.993 30.915 31.823 0.142 0.000 0.714 337 V HN 0.582 nan 8.190 nan 0.000 0.487 338 Q N -0.895 118.912 119.800 0.011 0.000 2.369 338 Q HA -0.050 4.291 4.340 0.001 0.000 0.206 338 Q C 1.782 177.657 176.000 -0.209 0.000 0.963 338 Q CA 1.535 57.214 55.803 -0.206 0.000 0.894 338 Q CB -0.173 28.325 28.738 -0.399 0.000 0.965 338 Q HN 0.831 nan 8.270 nan 0.000 0.475 339 Y N -0.196 120.212 120.300 0.180 0.000 2.517 339 Y HA 0.105 4.656 4.550 0.001 0.000 0.281 339 Y C 0.723 176.680 175.900 0.095 0.000 1.125 339 Y CA 0.083 58.316 58.100 0.220 0.000 1.283 339 Y CB 0.522 39.108 38.460 0.210 0.000 1.042 339 Y HN -0.019 nan 8.280 nan 0.000 0.547 340 I N 0.808 121.447 120.570 0.115 0.000 2.312 340 I HA 0.497 4.668 4.170 0.001 0.000 0.291 340 I C 0.538 176.616 176.117 -0.065 0.000 1.031 340 I CA -0.066 61.222 61.300 -0.020 0.000 1.293 340 I CB 0.548 38.424 38.000 -0.206 0.000 1.403 340 I HN 0.124 nan 8.210 nan 0.000 0.484 341 G N 4.049 112.823 108.800 -0.043 0.000 2.616 341 G HA2 0.124 4.085 3.960 0.001 0.000 0.294 341 G HA3 0.124 4.085 3.960 0.001 0.000 0.294 341 G C -0.298 174.569 174.900 -0.054 0.000 1.489 341 G CA -0.517 44.550 45.100 -0.056 0.000 0.836 341 G HN 0.568 nan 8.290 nan 0.000 0.527 342 Q N -0.414 119.357 119.800 -0.048 0.000 2.181 342 Q HA -0.132 4.209 4.340 0.001 0.000 0.205 342 Q C 0.898 176.821 176.000 -0.128 0.000 0.980 342 Q CA 2.074 57.835 55.803 -0.070 0.000 0.862 342 Q CB 0.108 28.849 28.738 0.004 0.000 0.905 342 Q HN 0.495 nan 8.270 nan 0.000 0.429 343 D N -0.519 119.834 120.400 -0.079 0.000 2.339 343 D HA 0.053 4.694 4.640 0.001 0.000 0.217 343 D C 0.486 176.767 176.300 -0.032 0.000 1.050 343 D CA 0.243 54.197 54.000 -0.076 0.000 0.856 343 D CB 0.516 41.288 40.800 -0.046 0.000 0.922 343 D HN 0.413 nan 8.370 nan 0.000 0.518 344 E N -1.047 119.153 120.200 0.000 0.000 3.722 344 E HA 0.216 4.566 4.350 0.001 0.000 0.276 344 E C -0.544 176.158 176.600 0.170 0.000 0.942 344 E CA -0.367 56.106 56.400 0.121 0.000 1.088 344 E CB 0.941 30.727 29.700 0.143 0.000 2.828 344 E HN -0.085 nan 8.360 nan 0.000 0.539 345 C N 2.296 121.707 119.300 0.186 0.000 2.264 345 C HA 0.283 4.743 4.460 0.001 0.000 0.324 345 C C 0.878 175.903 174.990 0.058 0.000 1.267 345 C CA -0.495 58.644 59.018 0.201 0.000 1.618 345 C CB 0.481 28.367 27.740 0.245 0.000 2.278 345 C HN 0.598 nan 8.230 nan 0.000 0.499 346 Q N 2.120 121.912 119.800 -0.013 0.000 2.226 346 Q HA 0.020 4.361 4.340 0.001 0.000 0.204 346 Q C 0.637 176.629 176.000 -0.014 0.000 0.975 346 Q CA 1.140 56.923 55.803 -0.033 0.000 0.866 346 Q CB -0.027 28.696 28.738 -0.024 0.000 0.915 346 Q HN 0.909 nan 8.270 nan 0.000 0.440 347 I N -5.137 115.445 120.570 0.021 0.000 3.074 347 I HA 0.874 5.045 4.170 0.001 0.000 0.310 347 I C -0.453 175.677 176.117 0.022 0.000 1.153 347 I CA -1.378 59.907 61.300 -0.025 0.000 0.993 347 I CB 2.365 40.344 38.000 -0.036 0.000 1.237 347 I HN -0.088 nan 8.210 nan 0.000 0.443 348 G N 1.753 110.574 108.800 0.036 0.000 2.703 348 G HA2 0.497 4.458 3.960 0.001 0.000 0.294 348 G HA3 0.497 4.458 3.960 0.001 0.000 0.294 348 G C -1.878 173.196 174.900 0.290 0.000 1.451 348 G CA -0.693 44.499 45.100 0.154 0.000 0.869 348 G HN 0.595 nan 8.290 nan 0.000 0.516 349 Y N 0.644 121.093 120.300 0.248 0.000 2.683 349 Y HA 0.145 4.695 4.550 0.001 0.000 0.340 349 Y C 1.147 177.315 175.900 0.448 0.000 1.245 349 Y CA 0.539 58.797 58.100 0.263 0.000 1.485 349 Y CB 0.838 39.339 38.460 0.069 0.000 1.328 349 Y HN 0.466 nan 8.280 nan 0.000 0.603 350 N N 4.817 123.846 118.700 0.548 0.000 3.112 350 N HA 0.200 4.941 4.740 0.001 0.000 0.270 350 N C -2.104 173.430 175.510 0.040 0.000 1.385 350 N CA -2.456 50.581 53.050 -0.021 0.000 0.986 350 N CB 0.485 38.701 38.487 -0.452 0.000 1.261 350 N HN 0.279 nan 8.380 nan 0.000 0.495 351 P HA -0.163 nan 4.420 nan 0.000 0.220 351 P C 1.544 178.804 177.300 -0.067 0.000 1.148 351 P CA 0.433 63.579 63.100 0.075 0.000 0.803 351 P CB 0.643 32.426 31.700 0.138 0.000 0.782 352 L N 0.468 121.632 121.223 -0.098 0.000 2.017 352 L HA -0.145 4.196 4.340 0.001 0.000 0.208 352 L C 2.805 179.607 176.870 -0.112 0.000 1.073 352 L CA 1.938 56.732 54.840 -0.076 0.000 0.745 352 L CB -1.613 40.389 42.059 -0.095 0.000 0.894 352 L HN -0.083 nan 8.230 nan 0.000 0.432 353 Q N -1.342 118.322 119.800 -0.228 0.000 2.084 353 Q HA -0.244 4.097 4.340 0.001 0.000 0.202 353 Q C 2.266 178.149 176.000 -0.195 0.000 0.978 353 Q CA 1.933 57.610 55.803 -0.211 0.000 0.844 353 Q CB -0.216 28.364 28.738 -0.263 0.000 0.898 353 Q HN 0.550 nan 8.270 nan 0.000 0.426 354 M N 0.360 119.788 119.600 -0.286 0.000 2.065 354 M HA -0.162 4.319 4.480 0.001 0.000 0.259 354 M C 2.035 178.290 176.300 -0.075 0.000 1.069 354 M CA 2.149 57.243 55.300 -0.344 0.000 1.110 354 M CB -0.865 31.253 32.600 -0.803 0.000 1.328 354 M HN 0.302 nan 8.290 nan 0.000 0.405 355 A N 0.495 123.306 122.820 -0.015 0.000 1.933 355 A HA -0.140 4.181 4.320 0.001 0.000 0.218 355 A C 2.170 179.958 177.584 0.340 0.000 1.175 355 A CA 1.447 53.598 52.037 0.190 0.000 0.628 355 A CB -0.941 18.179 19.000 0.201 0.000 0.814 355 A HN 0.622 nan 8.150 nan 0.000 0.444 356 L N -0.678 120.642 121.223 0.161 0.000 2.291 356 L HA -0.061 4.279 4.340 0.001 0.000 0.214 356 L C 2.358 179.236 176.870 0.014 0.000 1.120 356 L CA 0.314 55.212 54.840 0.097 0.000 0.799 356 L CB -0.388 41.674 42.059 0.004 0.000 0.925 356 L HN 0.385 nan 8.230 nan 0.000 0.446 357 L N -1.520 119.678 121.223 -0.040 0.000 2.027 357 L HA -0.193 4.147 4.340 0.001 0.000 0.206 357 L C 2.377 179.209 176.870 -0.064 0.000 1.074 357 L CA 1.738 56.504 54.840 -0.123 0.000 0.745 357 L CB -0.464 41.418 42.059 -0.295 0.000 0.898 357 L HN 0.334 nan 8.230 nan 0.000 0.433 358 W N 0.248 121.637 121.300 0.148 0.000 2.388 358 W HA -0.187 4.474 4.660 0.001 0.000 0.294 358 W C 2.525 179.263 176.519 0.366 0.000 1.212 358 W CA 1.227 58.708 57.345 0.228 0.000 1.271 358 W CB -0.501 28.954 29.460 -0.009 0.000 1.126 358 W HN 0.258 nan 8.180 nan 0.000 0.535 359 N N -0.180 118.799 118.700 0.465 0.000 2.069 359 N HA -0.190 4.551 4.740 0.001 0.000 0.191 359 N C 1.490 177.086 175.510 0.143 0.000 1.031 359 N CA 2.753 55.950 53.050 0.244 0.000 0.852 359 N CB -0.554 38.029 38.487 0.161 0.000 1.018 359 N HN -0.092 nan 8.380 nan 0.000 0.423 360 T N 0.557 115.138 114.554 0.045 0.000 2.833 360 T HA -0.042 4.309 4.350 0.001 0.000 0.269 360 T C 1.840 176.644 174.700 0.173 0.000 1.054 360 T CA 0.834 62.872 62.100 -0.104 0.000 1.135 360 T CB -0.247 68.216 68.868 -0.675 0.000 0.869 360 T HN 0.188 nan 8.240 nan 0.000 0.466 361 L N 0.494 121.957 121.223 0.399 0.000 2.093 361 L HA -0.071 4.270 4.340 0.001 0.000 0.208 361 L C 2.979 180.104 176.870 0.425 0.000 1.085 361 L CA 1.152 56.344 54.840 0.586 0.000 0.755 361 L CB -0.568 41.887 42.059 0.660 0.000 0.904 361 L HN 0.279 nan 8.230 nan 0.000 0.435 362 A N -0.171 122.714 122.820 0.107 0.000 1.872 362 A HA -0.175 4.146 4.320 0.001 0.000 0.214 362 A C 2.367 179.766 177.584 -0.309 0.000 1.187 362 A CA 1.982 53.615 52.037 -0.673 0.000 0.614 362 A CB -0.769 17.543 19.000 -1.147 0.000 0.826 362 A HN 0.480 nan 8.150 nan 0.000 0.442 363 T N -5.385 109.136 114.554 -0.055 0.000 3.054 363 T HA 0.133 4.484 4.350 0.001 0.000 0.259 363 T C 1.035 175.779 174.700 0.074 0.000 1.092 363 T CA 0.924 63.017 62.100 -0.012 0.000 1.121 363 T CB -0.017 68.853 68.868 0.003 0.000 0.912 363 T HN 0.381 nan 8.240 nan 0.000 0.489 364 R N 0.438 121.028 120.500 0.150 0.000 3.922 364 R HA -0.111 4.229 4.340 0.001 0.000 0.447 364 R C -0.634 175.835 176.300 0.282 0.000 1.035 364 R CA 1.288 57.542 56.100 0.257 0.000 1.289 364 R CB -2.257 28.185 30.300 0.237 0.000 1.906 364 R HN 0.672 nan 8.270 nan 0.000 0.540 365 E N -0.249 120.008 120.200 0.096 0.000 2.158 365 E HA 0.285 4.636 4.350 0.001 0.000 0.271 365 E C 0.821 177.365 176.600 -0.092 0.000 0.911 365 E CA 0.101 56.493 56.400 -0.013 0.000 0.767 365 E CB 1.679 31.343 29.700 -0.060 0.000 1.120 365 E HN 0.107 nan 8.360 nan 0.000 0.405 366 V N 0.991 120.842 119.914 -0.106 0.000 3.573 366 V HA -0.138 3.983 4.120 0.001 0.000 0.270 366 V C 1.281 177.331 176.094 -0.072 0.000 1.221 366 V CA 0.850 63.066 62.300 -0.141 0.000 1.163 366 V CB -1.026 30.756 31.823 -0.069 0.000 0.847 366 V HN 0.595 nan 8.190 nan 0.000 0.468 367 N N 2.492 121.146 118.700 -0.077 0.000 2.036 367 N HA -0.294 4.447 4.740 0.001 0.000 0.199 367 N C 1.541 177.043 175.510 -0.012 0.000 1.036 367 N CA 2.672 55.697 53.050 -0.042 0.000 0.870 367 N CB -1.128 37.314 38.487 -0.075 0.000 1.055 367 N HN 0.528 nan 8.380 nan 0.000 0.436 368 L N -1.135 120.035 121.223 -0.088 0.000 2.046 368 L HA -0.050 4.291 4.340 0.001 0.000 0.208 368 L C 2.466 179.302 176.870 -0.057 0.000 1.077 368 L CA 0.753 55.532 54.840 -0.102 0.000 0.747 368 L CB -0.473 41.454 42.059 -0.220 0.000 0.896 368 L HN 0.188 nan 8.230 nan 0.000 0.432 369 L N -0.500 120.676 121.223 -0.078 0.000 2.046 369 L HA -0.260 4.080 4.340 0.001 0.000 0.208 369 L C 2.568 179.417 176.870 -0.036 0.000 1.077 369 L CA 1.957 56.748 54.840 -0.082 0.000 0.747 369 L CB -0.663 41.301 42.059 -0.158 0.000 0.896 369 L HN 0.258 nan 8.230 nan 0.000 0.432 370 H N -0.855 118.176 119.070 -0.065 0.000 2.352 370 H HA -0.222 4.335 4.556 0.001 0.000 0.299 370 H C 2.316 177.622 175.328 -0.036 0.000 1.097 370 H CA 2.299 58.326 56.048 -0.035 0.000 1.311 370 H CB -0.046 29.706 29.762 -0.017 0.000 1.377 370 H HN 0.574 nan 8.280 nan 0.000 0.504 371 Q N -0.163 119.665 119.800 0.046 0.000 2.061 371 Q HA -0.185 4.155 4.340 0.001 0.000 0.204 371 Q C 2.401 178.427 176.000 0.043 0.000 0.984 371 Q CA 1.587 57.446 55.803 0.093 0.000 0.846 371 Q CB -0.320 28.505 28.738 0.145 0.000 0.902 371 Q HN 0.604 nan 8.270 nan 0.000 0.421 372 A N 0.738 123.556 122.820 -0.002 0.000 1.902 372 A HA -0.141 4.179 4.320 0.001 0.000 0.217 372 A C 2.045 179.596 177.584 -0.056 0.000 1.181 372 A CA 1.220 53.253 52.037 -0.006 0.000 0.623 372 A CB -0.677 18.303 19.000 -0.033 0.000 0.818 372 A HN 0.463 nan 8.150 nan 0.000 0.443 373 L N -0.750 120.381 121.223 -0.153 0.000 2.201 373 L HA -0.112 4.228 4.340 0.001 0.000 0.212 373 L C 2.554 179.276 176.870 -0.247 0.000 1.105 373 L CA 1.525 56.238 54.840 -0.212 0.000 0.775 373 L CB -0.689 41.185 42.059 -0.309 0.000 0.913 373 L HN 0.350 nan 8.230 nan 0.000 0.440 374 T N -1.651 112.665 114.554 -0.398 0.000 2.896 374 T HA -0.091 4.260 4.350 0.001 0.000 0.263 374 T C 1.237 175.583 174.700 -0.589 0.000 1.050 374 T CA 1.212 62.948 62.100 -0.607 0.000 1.140 374 T CB -0.077 68.195 68.868 -0.992 0.000 0.877 374 T HN 0.244 nan 8.240 nan 0.000 0.457 375 Y N 0.181 120.447 120.300 -0.056 0.000 2.430 375 Y HA 0.422 4.972 4.550 0.001 0.000 0.248 375 Y C 1.839 177.757 175.900 0.031 0.000 1.108 375 Y CA -0.359 57.730 58.100 -0.019 0.000 1.264 375 Y CB 0.450 38.883 38.460 -0.045 0.000 1.172 375 Y HN -0.048 nan 8.280 nan 0.000 0.520 376 R N -1.636 118.968 120.500 0.174 0.000 2.572 376 R HA 0.133 4.473 4.340 0.001 0.000 0.370 376 R C 0.598 177.061 176.300 0.272 0.000 1.005 376 R CA 0.102 56.323 56.100 0.202 0.000 1.146 376 R CB 0.130 30.530 30.300 0.165 0.000 1.390 376 R HN 0.262 nan 8.270 nan 0.000 0.553 377 H N 0.496 119.653 119.070 0.144 0.000 2.361 377 H HA 0.203 4.760 4.556 0.001 0.000 0.308 377 H C 0.298 175.837 175.328 0.351 0.000 1.053 377 H CA 0.665 56.853 56.048 0.233 0.000 1.377 377 H CB 0.436 30.212 29.762 0.024 0.000 1.434 377 H HN -0.081 nan 8.280 nan 0.000 0.548 378 N N 1.456 120.260 118.700 0.174 0.000 2.458 378 N HA 0.098 4.839 4.740 0.001 0.000 0.258 378 N C -0.710 174.779 175.510 -0.035 0.000 1.219 378 N CA 0.368 53.449 53.050 0.052 0.000 0.902 378 N CB 0.858 39.382 38.487 0.062 0.000 1.076 378 N HN 0.298 nan 8.380 nan 0.000 0.455 379 L N 2.256 123.392 121.223 -0.145 0.000 2.279 379 L HA 0.582 4.923 4.340 0.001 0.000 0.262 379 L C -1.956 174.810 176.870 -0.173 0.000 1.019 379 L CA -1.984 52.719 54.840 -0.227 0.000 0.823 379 L CB 1.460 43.255 42.059 -0.440 0.000 1.358 379 L HN 0.287 nan 8.230 nan 0.000 0.432 380 P HA 0.085 nan 4.420 nan 0.000 0.271 380 P C -0.914 176.280 177.300 -0.177 0.000 1.233 380 P CA -0.433 62.579 63.100 -0.147 0.000 0.789 380 P CB 0.375 31.998 31.700 -0.128 0.000 0.951 381 E N 0.653 120.723 120.200 -0.217 0.000 2.418 381 E HA -0.062 4.289 4.350 0.001 0.000 0.261 381 E C 0.023 176.428 176.600 -0.326 0.000 1.070 381 E CA 0.173 56.342 56.400 -0.386 0.000 0.931 381 E CB -0.107 29.229 29.700 -0.608 0.000 0.954 381 E HN 0.525 nan 8.360 nan 0.000 0.439 382 H N -1.325 117.717 119.070 -0.047 0.000 2.899 382 H HA -0.161 4.396 4.556 0.001 0.000 0.282 382 H C -0.104 175.190 175.328 -0.056 0.000 1.198 382 H CA 1.292 57.322 56.048 -0.030 0.000 1.140 382 H CB -2.498 27.261 29.762 -0.005 0.000 1.317 382 H HN 0.627 nan 8.280 nan 0.000 0.375 383 T N -2.895 111.635 114.554 -0.040 0.000 2.883 383 T HA 0.929 5.279 4.350 0.001 0.000 0.296 383 T C -0.281 174.311 174.700 -0.180 0.000 1.117 383 T CA -0.288 61.745 62.100 -0.111 0.000 1.006 383 T CB 3.402 72.168 68.868 -0.171 0.000 1.191 383 T HN 0.804 nan 8.240 nan 0.000 0.508 384 A N 0.261 122.952 122.820 -0.216 0.000 2.606 384 A HA 0.692 5.013 4.320 0.001 0.000 0.293 384 A C -1.855 175.608 177.584 -0.203 0.000 1.082 384 A CA -1.253 50.656 52.037 -0.214 0.000 0.685 384 A CB 0.862 19.782 19.000 -0.133 0.000 1.284 384 A HN 0.857 nan 8.150 nan 0.000 0.408 385 W N 0.240 121.481 121.300 -0.098 0.000 2.283 385 W HA 0.535 5.196 4.660 0.001 0.000 0.341 385 W C -0.194 176.284 176.519 -0.069 0.000 1.206 385 W CA -0.520 56.786 57.345 -0.064 0.000 1.294 385 W CB 1.604 31.024 29.460 -0.066 0.000 1.154 385 W HN 0.416 nan 8.180 nan 0.000 0.613 386 V N 4.134 124.207 119.914 0.265 0.000 2.313 386 V HA 0.182 4.303 4.120 0.001 0.000 0.278 386 V C -0.362 175.863 176.094 0.218 0.000 1.017 386 V CA -1.012 61.318 62.300 0.050 0.000 0.823 386 V CB 0.257 31.930 31.823 -0.249 0.000 1.010 386 V HN 0.411 nan 8.190 nan 0.000 0.443 387 N N 5.205 124.020 118.700 0.191 0.000 2.434 387 N HA 0.505 5.245 4.740 0.001 0.000 0.272 387 N C -0.808 174.875 175.510 0.289 0.000 1.040 387 N CA -0.187 52.987 53.050 0.207 0.000 0.956 387 N CB 1.725 40.275 38.487 0.106 0.000 1.108 387 N HN 0.703 nan 8.380 nan 0.000 0.481 388 Y N -1.815 118.514 120.300 0.050 0.000 2.638 388 Y HA 0.554 5.104 4.550 0.001 0.000 0.339 388 Y C 0.639 176.524 175.900 -0.026 0.000 1.084 388 Y CA -1.240 56.899 58.100 0.065 0.000 1.068 388 Y CB 0.282 38.847 38.460 0.175 0.000 1.294 388 Y HN 0.092 nan 8.280 nan 0.000 0.480 389 V N -1.536 118.346 119.914 -0.055 0.000 3.048 389 V HA 0.610 4.730 4.120 0.001 0.000 0.241 389 V C 0.243 176.411 176.094 0.124 0.000 1.129 389 V CA 0.343 62.529 62.300 -0.190 0.000 1.128 389 V CB 0.242 31.707 31.823 -0.596 0.000 0.849 389 V HN 0.710 nan 8.190 nan 0.000 0.475 390 R N 0.668 121.286 120.500 0.196 0.000 2.764 390 R HA 0.767 5.107 4.340 0.001 0.000 0.270 390 R C -0.777 175.575 176.300 0.086 0.000 1.014 390 R CA 0.499 56.631 56.100 0.053 0.000 0.904 390 R CB 1.912 32.143 30.300 -0.114 0.000 1.236 390 R HN 0.650 nan 8.270 nan 0.000 0.466 391 S N -0.895 114.664 115.700 -0.235 0.000 2.840 391 S HA 0.291 4.762 4.470 0.001 0.000 0.307 391 S C 0.795 175.129 174.600 -0.442 0.000 1.180 391 S CA -0.609 57.501 58.200 -0.149 0.000 0.846 391 S CB 0.926 64.083 63.200 -0.072 0.000 1.233 391 S HN 0.794 nan 8.310 nan 0.000 0.548 392 H N -0.226 118.828 119.070 -0.027 0.000 2.546 392 H HA 0.261 4.817 4.556 0.001 0.000 0.277 392 H C -0.569 174.799 175.328 0.068 0.000 1.004 392 H CA 0.548 56.696 56.048 0.166 0.000 1.231 392 H CB -0.459 29.478 29.762 0.292 0.000 1.382 392 H HN 0.430 nan 8.280 nan 0.000 0.580 393 D N 1.859 121.864 120.400 -0.657 0.000 2.440 393 D HA 0.074 4.715 4.640 0.001 0.000 0.258 393 D C 0.308 176.314 176.300 -0.490 0.000 1.092 393 D CA -0.517 53.166 54.000 -0.529 0.000 1.016 393 D CB 1.342 41.774 40.800 -0.613 0.000 1.141 393 D HN 0.340 nan 8.370 nan 0.000 0.552 394 D N -0.237 119.918 120.400 -0.408 0.000 2.363 394 D HA 0.047 4.688 4.640 0.001 0.000 0.240 394 D C 0.168 176.223 176.300 -0.407 0.000 1.236 394 D CA -0.045 53.729 54.000 -0.377 0.000 0.927 394 D CB 0.923 41.586 40.800 -0.227 0.000 1.150 394 D HN 0.259 nan 8.370 nan 0.000 0.458 395 I N 0.155 120.425 120.570 -0.500 0.000 2.315 395 I HA 0.326 4.497 4.170 0.001 0.000 0.291 395 I C 0.884 176.539 176.117 -0.770 0.000 1.006 395 I CA -0.507 60.390 61.300 -0.671 0.000 1.265 395 I CB 1.494 38.912 38.000 -0.970 0.000 1.387 395 I HN 0.384 nan 8.210 nan 0.000 0.475 396 G N 4.905 113.332 108.800 -0.621 0.000 2.388 396 G HA2 0.398 4.359 3.960 0.001 0.000 0.330 396 G HA3 0.398 4.359 3.960 0.001 0.000 0.330 396 G C -1.221 173.330 174.900 -0.581 0.000 1.142 396 G CA -0.524 44.256 45.100 -0.534 0.000 0.908 396 G HN 0.682 nan 8.290 nan 0.000 0.473 397 W N 2.076 123.363 121.300 -0.022 0.000 1.611 397 W HA 0.290 4.951 4.660 0.001 0.000 0.395 397 W C 1.251 177.649 176.519 -0.202 0.000 0.698 397 W CA -0.737 56.601 57.345 -0.011 0.000 1.845 397 W CB 0.314 29.803 29.460 0.049 0.000 1.818 397 W HN 0.558 nan 8.180 nan 0.000 0.270 398 T N -1.447 113.111 114.554 0.007 0.000 3.535 398 T HA 0.114 4.465 4.350 0.001 0.000 0.238 398 T C 0.079 174.739 174.700 -0.067 0.000 0.909 398 T CA -0.623 61.430 62.100 -0.078 0.000 0.928 398 T CB -1.400 67.451 68.868 -0.028 0.000 1.134 398 T HN 0.149 nan 8.240 nan 0.000 0.627 399 F N 0.146 120.139 119.950 0.073 0.000 2.378 399 F HA 0.775 5.302 4.527 0.001 0.000 0.319 399 F C 0.361 176.121 175.800 -0.066 0.000 1.155 399 F CA -2.328 55.677 58.000 0.008 0.000 1.157 399 F CB 0.180 39.218 39.000 0.063 0.000 1.252 399 F HN 0.160 nan 8.300 nan 0.000 0.550 400 A N 1.765 124.659 122.820 0.122 0.000 2.362 400 A HA 0.242 4.563 4.320 0.001 0.000 0.276 400 A C 0.795 178.534 177.584 0.258 0.000 1.153 400 A CA -0.497 51.525 52.037 -0.025 0.000 0.813 400 A CB -0.180 18.766 19.000 -0.089 0.000 1.081 400 A HN 0.847 nan 8.150 nan 0.000 0.507 401 D N 1.894 122.422 120.400 0.214 0.000 2.149 401 D HA -0.131 4.509 4.640 0.001 0.000 0.198 401 D C 1.577 178.008 176.300 0.219 0.000 0.990 401 D CA 1.849 56.001 54.000 0.254 0.000 0.839 401 D CB 0.073 40.987 40.800 0.190 0.000 0.948 401 D HN 0.774 nan 8.370 nan 0.000 0.460 402 E N 0.497 120.822 120.200 0.208 0.000 2.077 402 E HA -0.124 4.226 4.350 0.001 0.000 0.193 402 E C 1.616 178.306 176.600 0.150 0.000 0.989 402 E CA 1.035 57.534 56.400 0.165 0.000 0.800 402 E CB -0.071 29.723 29.700 0.157 0.000 0.746 402 E HN 0.252 nan 8.360 nan 0.000 0.452 403 D N 0.242 120.727 120.400 0.142 0.000 2.117 403 D HA -0.102 4.538 4.640 0.001 0.000 0.198 403 D C 1.871 178.239 176.300 0.113 0.000 0.982 403 D CA 1.509 55.566 54.000 0.095 0.000 0.828 403 D CB -0.433 40.414 40.800 0.079 0.000 0.967 403 D HN 0.209 nan 8.370 nan 0.000 0.464 404 A N 1.031 123.922 122.820 0.119 0.000 1.902 404 A HA -0.041 4.279 4.320 0.001 0.000 0.217 404 A C 2.305 179.921 177.584 0.054 0.000 1.181 404 A CA 2.192 54.247 52.037 0.030 0.000 0.623 404 A CB -0.807 18.221 19.000 0.047 0.000 0.818 404 A HN 0.227 nan 8.150 nan 0.000 0.443 405 A N -1.684 121.200 122.820 0.106 0.000 1.940 405 A HA -0.174 4.147 4.320 0.001 0.000 0.219 405 A C 2.097 179.725 177.584 0.074 0.000 1.176 405 A CA 1.670 53.757 52.037 0.082 0.000 0.631 405 A CB -0.805 18.253 19.000 0.096 0.000 0.814 405 A HN 0.723 nan 8.150 nan 0.000 0.446 406 Y N 0.113 120.410 120.300 -0.005 0.000 2.403 406 Y HA -0.021 4.530 4.550 0.001 0.000 0.291 406 Y C 1.517 177.401 175.900 -0.026 0.000 1.143 406 Y CA 1.459 59.548 58.100 -0.017 0.000 1.257 406 Y CB -0.026 38.419 38.460 -0.026 0.000 0.984 406 Y HN 0.226 nan 8.280 nan 0.000 0.550 407 L N -0.879 120.405 121.223 0.102 0.000 2.628 407 L HA 0.277 4.617 4.340 0.001 0.000 0.229 407 L C 1.466 178.304 176.870 -0.054 0.000 1.137 407 L CA 0.509 55.362 54.840 0.021 0.000 0.909 407 L CB -0.360 41.705 42.059 0.010 0.000 1.137 407 L HN 0.358 nan 8.230 nan 0.000 0.470 408 G N 1.335 110.102 108.800 -0.056 0.000 2.147 408 G HA2 -0.275 3.685 3.960 0.001 0.000 0.244 408 G HA3 -0.275 3.685 3.960 0.001 0.000 0.244 408 G C 0.026 174.893 174.900 -0.055 0.000 1.005 408 G CA -0.070 44.995 45.100 -0.058 0.000 0.713 408 G HN 0.325 nan 8.290 nan 0.000 0.515 409 I N 0.990 121.522 120.570 -0.063 0.000 2.378 409 I HA 0.433 4.603 4.170 0.001 0.000 0.291 409 I C 0.620 176.737 176.117 0.001 0.000 0.992 409 I CA -0.699 60.544 61.300 -0.095 0.000 1.154 409 I CB 1.994 39.825 38.000 -0.282 0.000 1.315 409 I HN 0.143 nan 8.210 nan 0.000 0.448 410 S N 4.433 120.169 115.700 0.059 0.000 2.416 410 S HA 0.258 4.729 4.470 0.001 0.000 0.287 410 S C 1.293 176.037 174.600 0.239 0.000 1.139 410 S CA -0.167 58.118 58.200 0.142 0.000 1.058 410 S CB 0.950 64.239 63.200 0.148 0.000 0.967 410 S HN 0.855 nan 8.310 nan 0.000 0.495 411 G N 4.225 113.203 108.800 0.297 0.000 2.553 411 G HA2 -0.285 3.676 3.960 0.001 0.000 0.218 411 G HA3 -0.285 3.676 3.960 0.001 0.000 0.218 411 G C 1.067 176.182 174.900 0.359 0.000 1.195 411 G CA 1.332 46.691 45.100 0.431 0.000 0.779 411 G HN 0.857 nan 8.290 nan 0.000 0.577 412 Y N 1.870 122.281 120.300 0.184 0.000 2.097 412 Y HA -0.181 4.370 4.550 0.001 0.000 0.282 412 Y C 2.632 178.631 175.900 0.165 0.000 1.152 412 Y CA 2.322 60.511 58.100 0.149 0.000 1.136 412 Y CB -0.161 38.365 38.460 0.110 0.000 0.975 412 Y HN 0.221 nan 8.280 nan 0.000 0.498 413 D N -1.346 119.234 120.400 0.299 0.000 2.117 413 D HA -0.196 4.444 4.640 0.001 0.000 0.197 413 D C 1.981 178.367 176.300 0.143 0.000 0.987 413 D CA 1.877 55.999 54.000 0.204 0.000 0.829 413 D CB -0.586 40.342 40.800 0.212 0.000 0.961 413 D HN 0.490 nan 8.370 nan 0.000 0.460 414 H N 0.756 119.885 119.070 0.098 0.000 2.357 414 H HA 0.089 4.646 4.556 0.001 0.000 0.301 414 H C 1.942 177.298 175.328 0.047 0.000 1.082 414 H CA 1.364 57.466 56.048 0.089 0.000 1.342 414 H CB 0.236 30.056 29.762 0.096 0.000 1.389 414 H HN -0.030 nan 8.280 nan 0.000 0.511 415 R N -0.105 120.444 120.500 0.083 0.000 2.115 415 R HA -0.106 4.235 4.340 0.001 0.000 0.230 415 R C 2.332 178.514 176.300 -0.197 0.000 1.111 415 R CA 1.263 57.293 56.100 -0.117 0.000 0.976 415 R CB -0.079 30.218 30.300 -0.006 0.000 0.870 415 R HN 0.544 nan 8.270 nan 0.000 0.445 416 Q N -0.172 119.527 119.800 -0.167 0.000 2.084 416 Q HA -0.195 4.146 4.340 0.001 0.000 0.202 416 Q C 1.921 177.866 176.000 -0.092 0.000 0.978 416 Q CA 1.601 57.333 55.803 -0.119 0.000 0.844 416 Q CB -0.193 28.497 28.738 -0.080 0.000 0.898 416 Q HN 0.273 nan 8.270 nan 0.000 0.426 417 F N 1.310 121.114 119.950 -0.244 0.000 2.075 417 F HA -0.189 4.338 4.527 0.001 0.000 0.297 417 F C 1.818 177.384 175.800 -0.391 0.000 1.113 417 F CA 1.266 59.062 58.000 -0.340 0.000 1.218 417 F CB -0.394 38.325 39.000 -0.469 0.000 0.984 417 F HN -0.051 nan 8.300 nan 0.000 0.472 418 L N 0.333 121.051 121.223 -0.842 0.000 2.042 418 L HA -0.278 4.062 4.340 0.001 0.000 0.210 418 L C 2.157 178.798 176.870 -0.382 0.000 1.076 418 L CA 2.090 56.376 54.840 -0.924 0.000 0.749 418 L CB -1.033 40.217 42.059 -1.349 0.000 0.893 418 L HN 0.253 nan 8.230 nan 0.000 0.432 419 N N -0.452 118.127 118.700 -0.200 0.000 2.084 419 N HA -0.152 4.588 4.740 0.001 0.000 0.190 419 N C 1.938 177.463 175.510 0.025 0.000 1.030 419 N CA 0.985 54.102 53.050 0.112 0.000 0.849 419 N CB -0.024 38.555 38.487 0.154 0.000 1.012 419 N HN 0.223 nan 8.380 nan 0.000 0.423 420 R N -0.093 120.353 120.500 -0.090 0.000 2.081 420 R HA -0.116 4.225 4.340 0.001 0.000 0.235 420 R C 1.922 178.151 176.300 -0.119 0.000 1.131 420 R CA 1.161 57.227 56.100 -0.056 0.000 0.960 420 R CB -0.463 29.846 30.300 0.015 0.000 0.856 420 R HN 0.241 nan 8.270 nan 0.000 0.436 421 F N 0.520 120.145 119.950 -0.542 0.000 2.075 421 F HA -0.183 4.344 4.527 0.001 0.000 0.297 421 F C 1.586 177.045 175.800 -0.570 0.000 1.113 421 F CA 1.497 59.073 58.000 -0.706 0.000 1.218 421 F CB -0.173 37.987 39.000 -1.399 0.000 0.984 421 F HN -0.130 nan 8.300 nan 0.000 0.472 422 F N -0.246 119.709 119.950 0.008 0.000 2.699 422 F HA 0.015 4.542 4.527 0.001 0.000 0.298 422 F C 1.793 177.573 175.800 -0.033 0.000 1.154 422 F CA 0.844 58.864 58.000 0.033 0.000 1.457 422 F CB -0.520 38.584 39.000 0.172 0.000 1.106 422 F HN -0.028 nan 8.300 nan 0.000 0.585 423 V N -2.876 117.078 119.914 0.067 0.000 3.214 423 V HA 0.324 4.444 4.120 0.001 0.000 0.330 423 V C 0.607 176.689 176.094 -0.019 0.000 1.403 423 V CA -0.117 62.216 62.300 0.055 0.000 1.143 423 V CB -0.870 31.001 31.823 0.081 0.000 1.098 423 V HN 0.369 nan 8.190 nan 0.000 0.463 424 N N 2.098 120.725 118.700 -0.122 0.000 2.738 424 N HA -0.195 4.546 4.740 0.001 0.000 0.249 424 N C 0.246 175.702 175.510 -0.090 0.000 1.047 424 N CA 0.805 53.764 53.050 -0.152 0.000 0.707 424 N CB -0.669 37.767 38.487 -0.084 0.000 0.937 424 N HN 0.618 nan 8.380 nan 0.000 0.545 425 R N 0.373 120.832 120.500 -0.068 0.000 2.727 425 R HA 0.311 4.652 4.340 0.001 0.000 0.410 425 R C -0.789 175.550 176.300 0.064 0.000 1.101 425 R CA -0.196 55.897 56.100 -0.012 0.000 1.045 425 R CB -0.449 29.852 30.300 0.002 0.000 1.380 425 R HN 0.306 nan 8.270 nan 0.000 0.587 426 F N 0.459 120.316 119.950 -0.154 0.000 2.588 426 F HA 0.218 4.746 4.527 0.001 0.000 0.318 426 F C -0.524 175.216 175.800 -0.100 0.000 1.155 426 F CA -1.623 56.324 58.000 -0.089 0.000 0.967 426 F CB 1.497 40.459 39.000 -0.064 0.000 1.236 426 F HN 0.009 nan 8.300 nan 0.000 0.455 427 D N 4.143 124.177 120.400 -0.611 0.000 2.662 427 D HA 0.333 4.974 4.640 0.001 0.000 0.233 427 D C 1.195 177.380 176.300 -0.191 0.000 1.129 427 D CA 2.572 56.341 54.000 -0.384 0.000 0.851 427 D CB 0.537 41.091 40.800 -0.410 0.000 1.152 427 D HN 1.072 nan 8.370 nan 0.000 0.507 428 G N 2.612 111.364 108.800 -0.080 0.000 2.179 428 G HA2 -0.313 3.647 3.960 0.001 0.000 0.260 428 G HA3 -0.313 3.647 3.960 0.001 0.000 0.260 428 G C 0.516 175.412 174.900 -0.008 0.000 0.977 428 G CA 0.375 45.484 45.100 0.016 0.000 0.641 428 G HN 0.862 nan 8.290 nan 0.000 0.533 429 S N 0.171 115.750 115.700 -0.201 0.000 2.558 429 S HA 0.405 4.875 4.470 0.001 0.000 0.288 429 S C 1.369 175.704 174.600 -0.443 0.000 1.318 429 S CA 0.594 58.356 58.200 -0.731 0.000 1.056 429 S CB 0.033 62.480 63.200 -1.256 0.000 0.853 429 S HN 1.151 nan 8.310 nan 0.000 0.505 430 F N 2.441 122.263 119.950 -0.215 0.000 2.749 430 F HA 0.585 5.113 4.527 0.001 0.000 0.300 430 F C 0.750 176.535 175.800 -0.025 0.000 1.103 430 F CA -0.586 57.398 58.000 -0.027 0.000 1.342 430 F CB -0.906 38.161 39.000 0.112 0.000 1.098 430 F HN 0.533 nan 8.300 nan 0.000 0.586 431 A N 1.574 124.254 122.820 -0.232 0.000 2.340 431 A HA 0.660 4.981 4.320 0.001 0.000 0.268 431 A C 0.575 178.167 177.584 0.013 0.000 1.100 431 A CA -0.637 51.425 52.037 0.041 0.000 0.803 431 A CB 0.399 19.378 19.000 -0.035 0.000 1.043 431 A HN 0.324 nan 8.150 nan 0.000 0.488 432 R N 1.986 122.557 120.500 0.120 0.000 2.782 432 R HA 0.245 4.586 4.340 0.001 0.000 0.293 432 R C 0.391 176.756 176.300 0.109 0.000 1.333 432 R CA 0.115 56.269 56.100 0.091 0.000 1.479 432 R CB 0.599 30.960 30.300 0.102 0.000 1.306 432 R HN 0.837 nan 8.270 nan 0.000 0.654 433 G N -0.064 108.803 108.800 0.112 0.000 2.537 433 G HA2 0.515 4.476 3.960 0.001 0.000 0.297 433 G HA3 0.515 4.476 3.960 0.001 0.000 0.297 433 G C -0.289 174.677 174.900 0.110 0.000 1.310 433 G CA -0.310 44.851 45.100 0.101 0.000 1.027 433 G HN 0.072 nan 8.290 nan 0.000 0.505 434 V N -2.963 117.015 119.914 0.106 0.000 2.789 434 V HA 0.668 4.789 4.120 0.001 0.000 0.311 434 V C -2.816 173.367 176.094 0.147 0.000 1.073 434 V CA -2.613 59.772 62.300 0.142 0.000 0.921 434 V CB 1.981 33.916 31.823 0.187 0.000 1.009 434 V HN 0.524 nan 8.190 nan 0.000 0.426 435 P HA 0.369 nan 4.420 nan 0.000 0.272 435 P C -1.277 176.187 177.300 0.274 0.000 1.223 435 P CA 0.181 63.398 63.100 0.195 0.000 0.784 435 P CB 0.218 32.012 31.700 0.157 0.000 0.923 436 F N 2.439 122.439 119.950 0.083 0.000 2.562 436 F HA 0.240 4.767 4.527 0.001 0.000 0.319 436 F C -0.328 175.534 175.800 0.104 0.000 1.154 436 F CA -0.352 57.687 58.000 0.064 0.000 0.931 436 F CB 1.107 40.110 39.000 0.005 0.000 1.198 436 F HN 0.256 nan 8.300 nan 0.000 0.444 437 Q N 4.138 123.639 119.800 -0.498 0.000 2.463 437 Q HA -0.306 4.035 4.340 0.001 0.000 0.299 437 Q C -1.042 174.900 176.000 -0.096 0.000 1.353 437 Q CA 0.687 56.255 55.803 -0.391 0.000 0.828 437 Q CB -2.252 26.137 28.738 -0.582 0.000 1.157 437 Q HN 0.758 nan 8.270 nan 0.000 0.436 438 Y N 1.530 121.791 120.300 -0.064 0.000 2.632 438 Y HA 0.165 4.715 4.550 0.001 0.000 0.329 438 Y C 0.334 176.228 175.900 -0.011 0.000 1.174 438 Y CA -0.191 57.907 58.100 -0.004 0.000 1.469 438 Y CB 0.500 38.977 38.460 0.029 0.000 1.242 438 Y HN 0.160 nan 8.280 nan 0.000 0.540 439 N N 9.160 127.446 118.700 -0.691 0.000 2.501 439 N HA 0.238 4.979 4.740 0.001 0.000 0.245 439 N C -2.028 173.010 175.510 -0.787 0.000 0.974 439 N CA -2.321 50.401 53.050 -0.548 0.000 0.941 439 N CB 1.521 39.846 38.487 -0.270 0.000 1.122 439 N HN 0.439 nan 8.380 nan 0.000 0.507 440 P HA -0.090 nan 4.420 nan 0.000 0.218 440 P C 0.745 177.965 177.300 -0.132 0.000 1.148 440 P CA 1.059 63.970 63.100 -0.315 0.000 0.822 440 P CB 0.476 32.147 31.700 -0.048 0.000 0.784 441 S N -0.822 114.804 115.700 -0.123 0.000 2.489 441 S HA -0.031 4.440 4.470 0.001 0.000 0.228 441 S C 1.828 176.407 174.600 -0.036 0.000 0.995 441 S CA 1.653 59.820 58.200 -0.056 0.000 0.934 441 S CB -0.642 62.528 63.200 -0.050 0.000 0.771 441 S HN 0.471 nan 8.310 nan 0.000 0.522 442 T N -3.265 111.255 114.554 -0.057 0.000 2.955 442 T HA 0.465 4.815 4.350 0.001 0.000 0.251 442 T C 1.523 176.297 174.700 0.122 0.000 1.002 442 T CA 0.853 62.964 62.100 0.019 0.000 0.970 442 T CB 0.373 69.243 68.868 0.004 0.000 1.091 442 T HN 0.466 nan 8.240 nan 0.000 0.495 443 G N 1.699 110.517 108.800 0.030 0.000 2.176 443 G HA2 -0.194 3.766 3.960 0.001 0.000 0.253 443 G HA3 -0.194 3.766 3.960 0.001 0.000 0.253 443 G C -0.313 174.660 174.900 0.123 0.000 0.979 443 G CA 0.124 45.333 45.100 0.182 0.000 0.641 443 G HN 0.613 nan 8.290 nan 0.000 0.530 444 D N -0.250 120.171 120.400 0.035 0.000 2.357 444 D HA 0.591 5.232 4.640 0.001 0.000 0.242 444 D C 0.350 176.706 176.300 0.093 0.000 1.153 444 D CA 0.619 54.654 54.000 0.059 0.000 0.918 444 D CB 1.710 42.530 40.800 0.035 0.000 1.181 444 D HN 0.439 nan 8.370 nan 0.000 0.435 445 C N 0.829 120.227 119.300 0.164 0.000 3.302 445 C HA 0.546 5.007 4.460 0.001 0.000 0.347 445 C C -1.142 173.970 174.990 0.205 0.000 1.218 445 C CA -0.535 58.609 59.018 0.211 0.000 1.234 445 C CB 1.096 29.034 27.740 0.330 0.000 1.551 445 C HN 0.688 nan 8.230 nan 0.000 0.501 446 R N 1.568 122.170 120.500 0.169 0.000 2.939 446 R HA 0.902 5.242 4.340 0.001 0.000 0.254 446 R C -1.356 175.023 176.300 0.131 0.000 1.123 446 R CA -0.550 55.604 56.100 0.090 0.000 1.020 446 R CB 1.622 31.992 30.300 0.117 0.000 1.206 446 R HN 0.495 nan 8.270 nan 0.000 0.491 447 V N 0.606 120.495 119.914 -0.042 0.000 2.540 447 V HA 0.496 4.616 4.120 0.001 0.000 0.302 447 V C -0.610 175.399 176.094 -0.142 0.000 1.035 447 V CA -0.627 61.652 62.300 -0.034 0.000 0.873 447 V CB 1.986 33.777 31.823 -0.052 0.000 0.992 447 V HN 0.729 nan 8.190 nan 0.000 0.428 448 S N 1.986 117.655 115.700 -0.052 0.000 2.621 448 S HA 0.975 5.445 4.470 0.001 0.000 0.302 448 S C 0.138 174.736 174.600 -0.002 0.000 1.093 448 S CA -0.040 58.147 58.200 -0.022 0.000 1.017 448 S CB 1.831 64.959 63.200 -0.121 0.000 1.077 448 S HN 1.527 nan 8.310 nan 0.000 0.517 449 G N 1.125 109.999 108.800 0.124 0.000 2.316 449 G HA2 0.275 4.236 3.960 0.001 0.000 0.468 449 G HA3 0.275 4.236 3.960 0.001 0.000 0.468 449 G C -0.492 174.372 174.900 -0.061 0.000 1.523 449 G CA -0.472 44.641 45.100 0.023 0.000 0.972 449 G HN 0.886 nan 8.290 nan 0.000 0.667 450 T N -0.561 114.022 114.554 0.048 0.000 2.828 450 T HA 0.640 4.990 4.350 0.001 0.000 0.290 450 T C 1.958 176.695 174.700 0.062 0.000 1.019 450 T CA 0.810 62.951 62.100 0.067 0.000 1.031 450 T CB 1.516 70.497 68.868 0.188 0.000 1.001 450 T HN 2.124 nan 8.240 nan 0.000 0.531 451 A N 1.502 124.420 122.820 0.162 0.000 1.892 451 A HA 0.068 4.389 4.320 0.001 0.000 0.218 451 A C 2.686 180.477 177.584 0.345 0.000 1.188 451 A CA 2.184 54.430 52.037 0.348 0.000 0.631 451 A CB -1.625 17.650 19.000 0.457 0.000 0.822 451 A HN 1.308 nan 8.150 nan 0.000 0.447 452 A N -0.353 122.622 122.820 0.258 0.000 1.902 452 A HA 0.154 4.475 4.320 0.001 0.000 0.217 452 A C 2.500 180.202 177.584 0.197 0.000 1.181 452 A CA 2.148 54.310 52.037 0.209 0.000 0.623 452 A CB -0.985 18.113 19.000 0.164 0.000 0.818 452 A HN 1.123 nan 8.150 nan 0.000 0.443 453 A N -0.400 122.526 122.820 0.177 0.000 1.930 453 A HA 0.027 4.348 4.320 0.001 0.000 0.217 453 A C 2.063 179.773 177.584 0.210 0.000 1.175 453 A CA 1.390 53.526 52.037 0.164 0.000 0.627 453 A CB -0.507 18.572 19.000 0.132 0.000 0.815 453 A HN 0.473 nan 8.150 nan 0.000 0.443 454 L N -0.072 121.285 121.223 0.223 0.000 2.395 454 L HA -0.053 4.288 4.340 0.001 0.000 0.218 454 L C 2.075 179.355 176.870 0.684 0.000 1.130 454 L CA 0.912 55.960 54.840 0.347 0.000 0.826 454 L CB -0.125 41.896 42.059 -0.064 0.000 0.941 454 L HN 0.429 nan 8.230 nan 0.000 0.451 455 V N -4.190 116.044 119.914 0.534 0.000 3.647 455 V HA 0.483 4.604 4.120 0.001 0.000 0.279 455 V C 1.247 177.461 176.094 0.200 0.000 1.314 455 V CA 0.473 62.999 62.300 0.378 0.000 1.125 455 V CB 0.010 31.933 31.823 0.166 0.000 0.907 455 V HN 0.424 nan 8.190 nan 0.000 0.434 456 G N 0.598 109.571 108.800 0.289 0.000 2.148 456 G HA2 -0.231 3.729 3.960 0.001 0.000 0.203 456 G HA3 -0.231 3.729 3.960 0.001 0.000 0.203 456 G C 0.321 175.295 174.900 0.123 0.000 0.993 456 G CA 0.285 45.513 45.100 0.213 0.000 0.661 456 G HN 0.522 nan 8.290 nan 0.000 0.518 457 L N 0.907 122.198 121.223 0.114 0.000 2.201 457 L HA 0.490 4.830 4.340 0.001 0.000 0.212 457 L C 2.864 179.780 176.870 0.077 0.000 1.105 457 L CA 2.815 57.703 54.840 0.080 0.000 0.775 457 L CB -0.506 41.602 42.059 0.082 0.000 0.913 457 L HN 0.611 nan 8.230 nan 0.000 0.440 458 A N -0.562 122.315 122.820 0.095 0.000 1.933 458 A HA -0.195 4.126 4.320 0.001 0.000 0.218 458 A C 1.942 179.567 177.584 0.067 0.000 1.175 458 A CA 1.634 53.720 52.037 0.083 0.000 0.628 458 A CB -0.478 18.578 19.000 0.095 0.000 0.814 458 A HN 0.666 nan 8.150 nan 0.000 0.444 459 Q N -1.031 118.812 119.800 0.071 0.000 2.220 459 Q HA 0.082 4.423 4.340 0.001 0.000 0.205 459 Q C -1.032 174.996 176.000 0.045 0.000 0.865 459 Q CA 0.544 56.381 55.803 0.057 0.000 0.960 459 Q CB -0.200 28.576 28.738 0.063 0.000 1.097 459 Q HN 0.543 nan 8.270 nan 0.000 0.493 460 D N 1.782 122.207 120.400 0.042 0.000 2.746 460 D HA -0.149 4.491 4.640 0.001 0.000 0.236 460 D C -0.697 175.612 176.300 0.014 0.000 1.129 460 D CA 1.131 55.145 54.000 0.023 0.000 0.691 460 D CB -1.065 39.743 40.800 0.015 0.000 1.077 460 D HN 0.518 nan 8.370 nan 0.000 0.432 461 D N 0.347 120.764 120.400 0.028 0.000 2.450 461 D HA 0.039 4.679 4.640 0.001 0.000 0.247 461 D C -1.270 175.007 176.300 -0.039 0.000 1.162 461 D CA -1.291 52.720 54.000 0.018 0.000 0.879 461 D CB 1.186 42.021 40.800 0.058 0.000 1.163 461 D HN 0.024 nan 8.370 nan 0.000 0.472 462 P HA -0.122 nan 4.420 nan 0.000 0.221 462 P C 0.654 177.822 177.300 -0.220 0.000 1.145 462 P CA 1.021 64.010 63.100 -0.185 0.000 0.795 462 P CB 0.154 31.697 31.700 -0.262 0.000 0.775 463 H N -1.863 117.180 119.070 -0.046 0.000 2.563 463 H HA 0.317 4.873 4.556 0.001 0.000 0.264 463 H C 1.892 177.077 175.328 -0.238 0.000 0.957 463 H CA 0.596 56.585 56.048 -0.098 0.000 1.173 463 H CB -0.315 29.412 29.762 -0.059 0.000 1.420 463 H HN 0.042 nan 8.280 nan 0.000 0.551 464 A N 0.965 123.738 122.820 -0.079 0.000 1.884 464 A HA -0.185 4.136 4.320 0.001 0.000 0.219 464 A C 2.671 180.204 177.584 -0.085 0.000 1.197 464 A CA 2.103 54.080 52.037 -0.100 0.000 0.637 464 A CB -0.988 18.000 19.000 -0.019 0.000 0.827 464 A HN 0.201 nan 8.150 nan 0.000 0.450 465 V N 0.643 120.529 119.914 -0.046 0.000 2.332 465 V HA -0.269 3.852 4.120 0.001 0.000 0.248 465 V C 2.155 178.217 176.094 -0.053 0.000 1.055 465 V CA 2.397 64.680 62.300 -0.028 0.000 1.038 465 V CB -0.851 30.963 31.823 -0.015 0.000 0.651 465 V HN 0.536 nan 8.190 nan 0.000 0.450 466 D N -0.444 119.913 120.400 -0.071 0.000 2.178 466 D HA -0.112 4.529 4.640 0.001 0.000 0.202 466 D C 2.395 178.576 176.300 -0.198 0.000 0.974 466 D CA 0.928 54.882 54.000 -0.077 0.000 0.841 466 D CB -0.217 40.599 40.800 0.027 0.000 0.953 466 D HN 0.411 nan 8.370 nan 0.000 0.478 467 R N 0.189 120.464 120.500 -0.376 0.000 2.075 467 R HA 0.001 4.342 4.340 0.001 0.000 0.232 467 R C 2.513 178.668 176.300 -0.242 0.000 1.126 467 R CA 0.632 56.431 56.100 -0.503 0.000 0.963 467 R CB -0.193 29.740 30.300 -0.611 0.000 0.858 467 R HN 0.222 nan 8.270 nan 0.000 0.435 468 I N 0.926 121.436 120.570 -0.101 0.000 2.226 468 I HA -0.299 3.871 4.170 0.001 0.000 0.245 468 I C 2.608 178.777 176.117 0.087 0.000 1.100 468 I CA 1.278 62.606 61.300 0.047 0.000 1.374 468 I CB -0.248 37.826 38.000 0.124 0.000 1.057 468 I HN 0.151 nan 8.210 nan 0.000 0.413 469 K N 1.057 121.464 120.400 0.012 0.000 2.057 469 K HA -0.237 4.084 4.320 0.001 0.000 0.207 469 K C 2.233 178.825 176.600 -0.014 0.000 1.049 469 K CA 1.496 57.788 56.287 0.008 0.000 0.931 469 K CB -0.134 32.338 32.500 -0.047 0.000 0.714 469 K HN 0.118 nan 8.250 nan 0.000 0.440 470 L N 1.608 122.775 121.223 -0.094 0.000 2.017 470 L HA -0.163 4.178 4.340 0.001 0.000 0.208 470 L C 1.979 178.789 176.870 -0.101 0.000 1.073 470 L CA 1.568 56.322 54.840 -0.144 0.000 0.745 470 L CB -0.456 41.421 42.059 -0.303 0.000 0.894 470 L HN 0.231 nan 8.230 nan 0.000 0.432 471 L N -1.711 119.420 121.223 -0.154 0.000 1.989 471 L HA -0.277 4.064 4.340 0.001 0.000 0.211 471 L C 2.599 179.389 176.870 -0.134 0.000 1.071 471 L CA 1.766 56.483 54.840 -0.204 0.000 0.749 471 L CB -0.984 40.820 42.059 -0.425 0.000 0.890 471 L HN 0.274 nan 8.230 nan 0.000 0.431 472 Y N 0.587 120.881 120.300 -0.010 0.000 2.274 472 Y HA -0.239 4.312 4.550 0.001 0.000 0.290 472 Y C 3.114 179.083 175.900 0.116 0.000 1.145 472 Y CA 1.489 59.620 58.100 0.052 0.000 1.203 472 Y CB -0.479 38.012 38.460 0.051 0.000 0.984 472 Y HN 0.322 nan 8.280 nan 0.000 0.533 473 S N -0.225 115.628 115.700 0.254 0.000 2.382 473 S HA -0.201 4.270 4.470 0.001 0.000 0.228 473 S C 1.921 176.814 174.600 0.489 0.000 1.027 473 S CA 1.555 59.980 58.200 0.374 0.000 0.991 473 S CB -0.885 62.433 63.200 0.197 0.000 0.823 473 S HN 0.489 nan 8.310 nan 0.000 0.469 474 I N 1.972 122.734 120.570 0.320 0.000 2.286 474 I HA -0.029 4.142 4.170 0.001 0.000 0.245 474 I C 3.058 179.271 176.117 0.160 0.000 1.104 474 I CA 0.986 62.459 61.300 0.289 0.000 1.397 474 I CB -0.607 37.528 38.000 0.225 0.000 1.072 474 I HN 0.438 nan 8.210 nan 0.000 0.417 475 A N 0.799 123.685 122.820 0.111 0.000 1.969 475 A HA -0.085 4.236 4.320 0.001 0.000 0.218 475 A C 2.224 179.895 177.584 0.145 0.000 1.169 475 A CA 1.215 53.302 52.037 0.084 0.000 0.635 475 A CB -0.641 18.387 19.000 0.046 0.000 0.810 475 A HN 0.399 nan 8.150 nan 0.000 0.445 476 L N -0.055 121.298 121.223 0.217 0.000 2.395 476 L HA -0.037 4.304 4.340 0.001 0.000 0.218 476 L C 2.193 179.145 176.870 0.135 0.000 1.130 476 L CA 1.241 56.196 54.840 0.191 0.000 0.826 476 L CB 0.034 42.254 42.059 0.269 0.000 0.941 476 L HN 0.570 nan 8.230 nan 0.000 0.451 477 S N -3.585 112.228 115.700 0.189 0.000 2.632 477 S HA -0.016 4.454 4.470 0.001 0.000 0.237 477 S C 1.650 176.333 174.600 0.138 0.000 1.037 477 S CA 0.255 58.553 58.200 0.163 0.000 1.009 477 S CB -0.094 63.110 63.200 0.008 0.000 0.974 477 S HN 0.344 nan 8.310 nan 0.000 0.544 478 T N -0.724 113.843 114.554 0.021 0.000 2.995 478 T HA 0.442 4.793 4.350 0.001 0.000 0.269 478 T C 1.230 175.895 174.700 -0.059 0.000 1.091 478 T CA 0.616 62.566 62.100 -0.250 0.000 1.128 478 T CB -0.643 67.955 68.868 -0.450 0.000 0.891 478 T HN 1.511 nan 8.240 nan 0.000 0.492 479 G N -0.606 108.269 108.800 0.125 0.000 3.393 479 G HA2 0.503 4.463 3.960 0.001 0.000 0.676 479 G HA3 0.503 4.463 3.960 0.001 0.000 0.676 479 G C -0.098 174.948 174.900 0.243 0.000 1.224 479 G CA -0.635 44.591 45.100 0.209 0.000 1.109 479 G HN 1.578 nan 8.290 nan 0.000 0.519 480 G N -0.249 108.631 108.800 0.133 0.000 2.361 480 G HA2 0.458 4.419 3.960 0.001 0.000 0.331 480 G HA3 0.458 4.419 3.960 0.001 0.000 0.331 480 G C -0.873 174.049 174.900 0.037 0.000 1.324 480 G CA -0.311 44.851 45.100 0.103 0.000 0.984 480 G HN 1.713 nan 8.290 nan 0.000 0.586 481 L N 2.626 123.838 121.223 -0.020 0.000 2.261 481 L HA 0.506 4.846 4.340 0.001 0.000 0.289 481 L C -1.668 175.149 176.870 -0.089 0.000 1.059 481 L CA -1.972 52.804 54.840 -0.107 0.000 0.816 481 L CB 1.423 43.343 42.059 -0.231 0.000 1.191 481 L HN 0.402 nan 8.230 nan 0.000 0.431 482 P HA 0.125 nan 4.420 nan 0.000 0.280 482 P C -1.239 176.053 177.300 -0.014 0.000 1.244 482 P CA -0.517 62.601 63.100 0.030 0.000 0.784 482 P CB 1.850 33.602 31.700 0.085 0.000 0.913 483 L N 4.917 126.192 121.223 0.087 0.000 2.343 483 L HA 0.463 4.804 4.340 0.001 0.000 0.278 483 L C -0.578 176.471 176.870 0.300 0.000 0.996 483 L CA -0.796 54.105 54.840 0.102 0.000 0.831 483 L CB 0.800 42.905 42.059 0.076 0.000 1.232 483 L HN 0.248 nan 8.230 nan 0.000 0.413 484 I N 4.896 125.626 120.570 0.266 0.000 2.331 484 I HA 0.161 4.332 4.170 0.001 0.000 0.292 484 I C -0.905 175.422 176.117 0.350 0.000 0.998 484 I CA -0.701 60.814 61.300 0.359 0.000 1.267 484 I CB 0.950 39.035 38.000 0.142 0.000 1.386 484 I HN 0.553 nan 8.210 nan 0.000 0.476 485 Y N 7.506 128.009 120.300 0.339 0.000 2.585 485 Y HA 0.297 4.848 4.550 0.001 0.000 0.354 485 Y C 0.089 176.140 175.900 0.252 0.000 1.024 485 Y CA -0.408 57.856 58.100 0.273 0.000 1.321 485 Y CB 0.150 38.791 38.460 0.302 0.000 1.151 485 Y HN 0.384 nan 8.280 nan 0.000 0.525 486 L N 6.536 127.715 121.223 -0.073 0.000 2.601 486 L HA 0.046 4.387 4.340 0.001 0.000 0.277 486 L C 1.276 178.266 176.870 0.200 0.000 1.219 486 L CA 1.474 56.342 54.840 0.047 0.000 0.915 486 L CB -0.102 41.821 42.059 -0.227 0.000 1.160 486 L HN 1.059 nan 8.230 nan 0.000 0.494 487 G N 1.738 110.789 108.800 0.418 0.000 2.391 487 G HA2 -0.229 3.732 3.960 0.001 0.000 0.204 487 G HA3 -0.229 3.732 3.960 0.001 0.000 0.204 487 G C 0.673 175.728 174.900 0.257 0.000 1.012 487 G CA 0.080 45.414 45.100 0.391 0.000 0.651 487 G HN 0.596 nan 8.290 nan 0.000 0.494 488 D N 1.474 122.059 120.400 0.309 0.000 2.178 488 D HA -0.007 4.634 4.640 0.001 0.000 0.202 488 D C 2.413 178.798 176.300 0.143 0.000 0.974 488 D CA 1.321 55.493 54.000 0.286 0.000 0.841 488 D CB -0.092 40.967 40.800 0.431 0.000 0.953 488 D HN 0.712 nan 8.370 nan 0.000 0.478 489 E N 0.957 121.226 120.200 0.114 0.000 2.515 489 E HA -0.096 4.255 4.350 0.001 0.000 0.201 489 E C 1.252 177.912 176.600 0.099 0.000 1.071 489 E CA 0.635 57.092 56.400 0.094 0.000 0.880 489 E CB -0.019 29.813 29.700 0.220 0.000 0.828 489 E HN 0.296 nan 8.360 nan 0.000 0.540 490 V N -4.160 115.734 119.914 -0.033 0.000 3.252 490 V HA 0.522 4.643 4.120 0.001 0.000 0.320 490 V C 1.002 177.040 176.094 -0.093 0.000 1.459 490 V CA -0.105 62.099 62.300 -0.161 0.000 1.095 490 V CB 0.057 31.535 31.823 -0.575 0.000 0.997 490 V HN 0.170 nan 8.190 nan 0.000 0.469 491 G N 1.111 109.915 108.800 0.006 0.000 2.225 491 G HA2 -0.237 3.724 3.960 0.001 0.000 0.264 491 G HA3 -0.237 3.724 3.960 0.001 0.000 0.264 491 G C 0.094 175.028 174.900 0.056 0.000 1.060 491 G CA 0.378 45.509 45.100 0.052 0.000 0.833 491 G HN 0.680 nan 8.290 nan 0.000 0.498 492 T N 0.782 115.380 114.554 0.073 0.000 2.928 492 T HA 0.426 4.777 4.350 0.001 0.000 0.305 492 T C 1.315 176.099 174.700 0.140 0.000 1.035 492 T CA 0.204 62.361 62.100 0.096 0.000 1.145 492 T CB 1.111 70.065 68.868 0.143 0.000 0.963 492 T HN 0.398 nan 8.240 nan 0.000 0.545 493 L N 2.489 123.784 121.223 0.121 0.000 2.472 493 L HA 0.414 4.754 4.340 0.001 0.000 0.256 493 L C 0.976 177.939 176.870 0.156 0.000 1.111 493 L CA -1.377 53.543 54.840 0.133 0.000 0.800 493 L CB 0.345 42.469 42.059 0.108 0.000 1.286 493 L HN 0.505 nan 8.230 nan 0.000 0.479 494 N N 0.691 119.485 118.700 0.157 0.000 2.416 494 N HA -0.047 4.694 4.740 0.001 0.000 0.246 494 N C -0.466 175.163 175.510 0.199 0.000 1.260 494 N CA 0.028 53.183 53.050 0.175 0.000 0.897 494 N CB 0.138 38.736 38.487 0.185 0.000 1.110 494 N HN 0.510 nan 8.380 nan 0.000 0.439 495 D N 0.331 120.869 120.400 0.231 0.000 2.424 495 D HA -0.046 4.594 4.640 0.001 0.000 0.244 495 D C -0.184 176.306 176.300 0.316 0.000 1.134 495 D CA -0.091 54.068 54.000 0.265 0.000 0.881 495 D CB 0.725 41.703 40.800 0.297 0.000 1.191 495 D HN 0.305 nan 8.370 nan 0.000 0.445 496 D N 2.047 122.563 120.400 0.194 0.000 2.347 496 D HA -0.033 4.608 4.640 0.001 0.000 0.213 496 D C 0.441 176.773 176.300 0.053 0.000 0.985 496 D CA 0.598 54.671 54.000 0.122 0.000 0.879 496 D CB 0.428 41.273 40.800 0.074 0.000 0.919 496 D HN 0.496 nan 8.370 nan 0.000 0.526 497 D N -0.645 119.800 120.400 0.074 0.000 2.479 497 D HA -0.033 4.608 4.640 0.001 0.000 0.221 497 D C 2.141 178.392 176.300 -0.080 0.000 1.104 497 D CA -0.179 53.807 54.000 -0.024 0.000 0.849 497 D CB -0.175 40.621 40.800 -0.008 0.000 1.072 497 D HN 0.358 nan 8.370 nan 0.000 0.502 498 W N 3.116 124.411 121.300 -0.009 0.000 2.305 498 W HA -0.248 4.413 4.660 0.001 0.000 0.308 498 W C 1.652 178.167 176.519 -0.006 0.000 1.226 498 W CA 1.682 59.015 57.345 -0.020 0.000 1.253 498 W CB -1.254 28.250 29.460 0.073 0.000 1.146 498 W HN -0.024 nan 8.180 nan 0.000 0.507 499 S N 0.643 115.381 115.700 -1.604 0.000 2.469 499 S HA -0.199 4.272 4.470 0.001 0.000 0.238 499 S C 1.602 175.850 174.600 -0.586 0.000 0.998 499 S CA 1.458 58.767 58.200 -1.486 0.000 0.957 499 S CB -0.572 61.786 63.200 -1.403 0.000 0.764 499 S HN 0.608 nan 8.310 nan 0.000 0.514 500 Q N 0.327 119.898 119.800 -0.382 0.000 2.171 500 Q HA 0.248 4.589 4.340 0.001 0.000 0.218 500 Q C -0.713 175.201 176.000 -0.144 0.000 0.822 500 Q CA -0.212 55.463 55.803 -0.214 0.000 0.987 500 Q CB 0.538 29.172 28.738 -0.174 0.000 1.144 500 Q HN 0.448 nan 8.270 nan 0.000 0.494 501 D N 0.519 120.836 120.400 -0.139 0.000 2.347 501 D HA 0.015 4.656 4.640 0.001 0.000 0.235 501 D C 0.985 177.237 176.300 -0.079 0.000 1.149 501 D CA 0.012 53.949 54.000 -0.106 0.000 0.850 501 D CB 1.349 42.077 40.800 -0.121 0.000 1.061 501 D HN 0.130 nan 8.370 nan 0.000 0.487 502 S N 2.986 118.646 115.700 -0.066 0.000 2.440 502 S HA -0.198 4.273 4.470 0.001 0.000 0.238 502 S C 1.204 175.788 174.600 -0.026 0.000 1.010 502 S CA 0.934 59.112 58.200 -0.037 0.000 0.972 502 S CB -0.318 62.862 63.200 -0.033 0.000 0.774 502 S HN 0.594 nan 8.310 nan 0.000 0.501 503 N N 0.562 119.220 118.700 -0.069 0.000 2.353 503 N HA 0.176 4.917 4.740 0.001 0.000 0.185 503 N C 1.415 176.873 175.510 -0.087 0.000 1.098 503 N CA 0.365 53.368 53.050 -0.078 0.000 0.872 503 N CB 0.170 38.573 38.487 -0.139 0.000 0.970 503 N HN 0.464 nan 8.380 nan 0.000 0.467 504 K N -0.638 119.709 120.400 -0.088 0.000 2.511 504 K HA 0.101 4.422 4.320 0.001 0.000 0.209 504 K C 1.675 178.474 176.600 0.332 0.000 1.301 504 K CA 0.194 56.469 56.287 -0.020 0.000 0.967 504 K CB 0.531 32.840 32.500 -0.317 0.000 1.109 504 K HN 0.018 nan 8.250 nan 0.000 0.561 505 S N 2.288 118.109 115.700 0.201 0.000 2.441 505 S HA -0.187 4.284 4.470 0.001 0.000 0.242 505 S C 1.346 176.142 174.600 0.328 0.000 1.018 505 S CA 1.849 60.166 58.200 0.195 0.000 0.988 505 S CB -0.427 62.775 63.200 0.004 0.000 0.778 505 S HN 0.364 nan 8.310 nan 0.000 0.498 506 D N -0.017 120.561 120.400 0.297 0.000 2.368 506 D HA 0.163 4.804 4.640 0.001 0.000 0.218 506 D C -0.325 176.164 176.300 0.315 0.000 1.112 506 D CA -0.229 53.933 54.000 0.269 0.000 0.834 506 D CB -0.154 40.752 40.800 0.177 0.000 0.953 506 D HN 0.335 nan 8.370 nan 0.000 0.505 507 D N 0.760 121.412 120.400 0.420 0.000 2.346 507 D HA 0.030 4.671 4.640 0.001 0.000 0.255 507 D C 0.992 177.387 176.300 0.158 0.000 1.276 507 D CA -0.286 53.931 54.000 0.362 0.000 0.941 507 D CB 1.339 42.347 40.800 0.348 0.000 1.199 507 D HN -0.061 nan 8.370 nan 0.000 0.537 508 S N 2.852 118.581 115.700 0.047 0.000 2.500 508 S HA -0.134 4.336 4.470 0.001 0.000 0.239 508 S C 1.649 175.699 174.600 -0.917 0.000 0.989 508 S CA 0.390 58.208 58.200 -0.638 0.000 0.951 508 S CB -0.104 63.022 63.200 -0.124 0.000 0.759 508 S HN 0.435 nan 8.310 nan 0.000 0.523 509 R N -0.297 119.674 120.500 -0.882 0.000 2.193 509 R HA -0.033 4.307 4.340 0.001 0.000 0.229 509 R C 1.452 176.962 176.300 -1.316 0.000 1.110 509 R CA 1.606 56.984 56.100 -1.204 0.000 0.988 509 R CB -0.359 29.306 30.300 -1.058 0.000 0.871 509 R HN 0.600 nan 8.270 nan 0.000 0.458 510 W N 0.382 121.186 121.300 -0.826 0.000 2.525 510 W HA -0.042 4.619 4.660 0.001 0.000 0.259 510 W C 2.275 178.332 176.519 -0.769 0.000 1.253 510 W CA 0.610 57.593 57.345 -0.603 0.000 1.262 510 W CB -0.053 29.263 29.460 -0.240 0.000 1.122 510 W HN 0.160 nan 8.180 nan 0.000 0.607 511 A N 0.234 122.374 122.820 -1.134 0.000 1.972 511 A HA -0.213 4.108 4.320 0.001 0.000 0.219 511 A C 1.532 178.958 177.584 -0.263 0.000 1.169 511 A CA 1.704 53.251 52.037 -0.818 0.000 0.635 511 A CB -1.173 17.403 19.000 -0.707 0.000 0.810 511 A HN 0.602 nan 8.150 nan 0.000 0.446 512 H N -2.209 116.734 119.070 -0.212 0.000 2.488 512 H HA 0.448 5.004 4.556 0.001 0.000 0.294 512 H C -0.222 175.162 175.328 0.094 0.000 1.088 512 H CA -0.316 55.693 56.048 -0.064 0.000 1.086 512 H CB -0.136 29.520 29.762 -0.177 0.000 1.569 512 H HN 0.372 nan 8.280 nan 0.000 0.548 513 R N 2.166 122.723 120.500 0.095 0.000 2.886 513 R HA 0.249 4.590 4.340 0.001 0.000 0.306 513 R C -2.685 173.749 176.300 0.222 0.000 1.300 513 R CA -1.452 54.768 56.100 0.201 0.000 1.441 513 R CB 1.023 31.292 30.300 -0.051 0.000 1.328 513 R HN 0.357 nan 8.270 nan 0.000 0.629 514 P HA 0.135 nan 4.420 nan 0.000 0.276 514 P C -0.418 177.016 177.300 0.223 0.000 1.261 514 P CA -0.388 62.846 63.100 0.222 0.000 0.800 514 P CB 1.111 32.941 31.700 0.217 0.000 1.066 515 R N -0.622 119.987 120.500 0.183 0.000 2.583 515 R HA 0.220 4.560 4.340 0.001 0.000 0.268 515 R C 0.051 176.473 176.300 0.202 0.000 1.101 515 R CA -0.642 55.567 56.100 0.182 0.000 1.180 515 R CB 0.002 30.377 30.300 0.125 0.000 1.128 515 R HN 0.470 nan 8.270 nan 0.000 0.568 516 Y N 1.752 122.060 120.300 0.014 0.000 2.729 516 Y HA -0.141 4.410 4.550 0.001 0.000 0.331 516 Y C 0.146 176.047 175.900 0.001 0.000 1.208 516 Y CA 0.439 58.477 58.100 -0.104 0.000 1.521 516 Y CB 0.175 38.347 38.460 -0.479 0.000 1.233 516 Y HN 0.380 nan 8.280 nan 0.000 0.539 517 N N 6.439 125.045 118.700 -0.157 0.000 2.469 517 N HA 0.000 4.741 4.740 0.001 0.000 0.239 517 N C 0.599 176.018 175.510 -0.152 0.000 1.053 517 N CA -0.044 52.955 53.050 -0.086 0.000 0.937 517 N CB 0.568 39.019 38.487 -0.059 0.000 1.163 517 N HN 0.812 nan 8.380 nan 0.000 0.509 518 E N 2.675 122.868 120.200 -0.013 0.000 2.070 518 E HA -0.211 4.139 4.350 0.001 0.000 0.197 518 E C 1.522 178.121 176.600 -0.001 0.000 1.004 518 E CA 1.311 57.742 56.400 0.052 0.000 0.805 518 E CB -0.271 29.481 29.700 0.087 0.000 0.744 518 E HN 0.724 nan 8.360 nan 0.000 0.451 519 A N 1.395 124.205 122.820 -0.018 0.000 1.892 519 A HA -0.188 4.133 4.320 0.001 0.000 0.218 519 A C 2.438 179.982 177.584 -0.066 0.000 1.188 519 A CA 1.497 53.516 52.037 -0.030 0.000 0.631 519 A CB -0.808 18.179 19.000 -0.022 0.000 0.822 519 A HN 0.190 nan 8.150 nan 0.000 0.447 520 L N -2.606 118.549 121.223 -0.114 0.000 2.056 520 L HA -0.173 4.167 4.340 0.001 0.000 0.207 520 L C 2.576 179.275 176.870 -0.286 0.000 1.078 520 L CA 1.374 56.096 54.840 -0.195 0.000 0.749 520 L CB -0.682 41.226 42.059 -0.251 0.000 0.901 520 L HN 0.437 nan 8.230 nan 0.000 0.433 521 Y N 0.116 120.247 120.300 -0.282 0.000 2.352 521 Y HA -0.156 4.395 4.550 0.001 0.000 0.292 521 Y C 2.558 178.329 175.900 -0.214 0.000 1.136 521 Y CA 1.031 58.938 58.100 -0.322 0.000 1.227 521 Y CB -0.402 37.755 38.460 -0.505 0.000 0.991 521 Y HN 0.125 nan 8.280 nan 0.000 0.545 522 A N -0.661 122.145 122.820 -0.025 0.000 2.167 522 A HA -0.112 4.208 4.320 0.001 0.000 0.214 522 A C 1.764 179.319 177.584 -0.047 0.000 1.151 522 A CA 0.960 52.982 52.037 -0.025 0.000 0.735 522 A CB -0.296 18.697 19.000 -0.012 0.000 0.802 522 A HN 0.522 nan 8.150 nan 0.000 0.467 523 Q N -0.826 118.929 119.800 -0.075 0.000 2.282 523 Q HA 0.034 4.375 4.340 0.001 0.000 0.206 523 Q C 1.639 177.595 176.000 -0.073 0.000 0.878 523 Q CA 0.181 55.947 55.803 -0.063 0.000 0.944 523 Q CB 0.217 28.919 28.738 -0.059 0.000 1.100 523 Q HN 0.844 nan 8.270 nan 0.000 0.509 524 R N 0.254 120.675 120.500 -0.133 0.000 2.241 524 R HA -0.047 4.294 4.340 0.001 0.000 0.224 524 R C 0.762 177.034 176.300 -0.046 0.000 1.101 524 R CA 1.191 57.189 56.100 -0.170 0.000 0.995 524 R CB -0.073 29.927 30.300 -0.501 0.000 0.870 524 R HN 0.080 nan 8.270 nan 0.000 0.463 525 N N 0.465 119.151 118.700 -0.022 0.000 2.203 525 N HA -0.013 4.727 4.740 0.001 0.000 0.207 525 N C -0.840 174.692 175.510 0.037 0.000 1.130 525 N CA 0.105 53.179 53.050 0.041 0.000 0.861 525 N CB 0.502 39.008 38.487 0.032 0.000 1.005 525 N HN 0.214 nan 8.380 nan 0.000 0.507 526 D N 1.941 122.352 120.400 0.019 0.000 2.443 526 D HA 0.157 4.798 4.640 0.001 0.000 0.221 526 D C -1.530 174.781 176.300 0.018 0.000 1.097 526 D CA -2.094 51.914 54.000 0.014 0.000 0.865 526 D CB 1.730 42.530 40.800 -0.000 0.000 1.034 526 D HN 0.029 nan 8.370 nan 0.000 0.511 527 P HA -0.072 nan 4.420 nan 0.000 0.228 527 P C 0.654 177.957 177.300 0.006 0.000 1.151 527 P CA 0.444 63.553 63.100 0.016 0.000 0.770 527 P CB 0.454 32.160 31.700 0.011 0.000 0.786 528 S N -0.904 114.798 115.700 0.003 0.000 2.575 528 S HA 0.047 4.518 4.470 0.001 0.000 0.215 528 S C 1.109 175.707 174.600 -0.003 0.000 0.966 528 S CA 0.243 58.443 58.200 -0.002 0.000 0.911 528 S CB -0.315 62.884 63.200 -0.002 0.000 0.780 528 S HN 0.419 nan 8.310 nan 0.000 0.514 529 T N -1.466 113.086 114.554 -0.002 0.000 2.940 529 T HA 0.765 5.115 4.350 0.001 0.000 0.288 529 T C 1.231 175.929 174.700 -0.004 0.000 1.033 529 T CA -0.322 61.775 62.100 -0.006 0.000 1.033 529 T CB 1.696 70.556 68.868 -0.013 0.000 1.079 529 T HN -0.060 nan 8.240 nan 0.000 0.496 530 A N 1.441 124.257 122.820 -0.006 0.000 1.902 530 A HA 0.200 4.521 4.320 0.001 0.000 0.217 530 A C 2.584 180.169 177.584 0.001 0.000 1.181 530 A CA 1.855 53.892 52.037 -0.001 0.000 0.623 530 A CB -1.513 17.487 19.000 0.001 0.000 0.818 530 A HN 1.287 nan 8.150 nan 0.000 0.443 531 A N -0.479 122.330 122.820 -0.017 0.000 1.883 531 A HA 0.080 4.401 4.320 0.001 0.000 0.217 531 A C 2.426 180.020 177.584 0.017 0.000 1.186 531 A CA 2.039 54.055 52.037 -0.035 0.000 0.624 531 A CB -1.410 17.532 19.000 -0.098 0.000 0.822 531 A HN 0.757 nan 8.150 nan 0.000 0.444 532 G N -1.238 107.574 108.800 0.020 0.000 2.408 532 G HA2 -0.162 3.798 3.960 0.001 0.000 0.217 532 G HA3 -0.162 3.798 3.960 0.001 0.000 0.217 532 G C 1.611 176.562 174.900 0.086 0.000 1.150 532 G CA 0.979 46.119 45.100 0.067 0.000 0.776 532 G HN 0.628 nan 8.290 nan 0.000 0.542 533 Q N -0.270 119.555 119.800 0.043 0.000 2.046 533 Q HA 0.052 4.392 4.340 0.001 0.000 0.200 533 Q C 2.581 178.598 176.000 0.027 0.000 0.975 533 Q CA 0.986 56.804 55.803 0.025 0.000 0.836 533 Q CB -0.165 28.576 28.738 0.006 0.000 0.896 533 Q HN 0.519 nan 8.270 nan 0.000 0.428 534 I N -0.505 120.088 120.570 0.038 0.000 2.179 534 I HA -0.293 3.878 4.170 0.001 0.000 0.242 534 I C 2.199 178.340 176.117 0.041 0.000 1.088 534 I CA 1.211 62.531 61.300 0.033 0.000 1.357 534 I CB -0.335 37.690 38.000 0.042 0.000 1.051 534 I HN 0.229 nan 8.210 nan 0.000 0.409 535 Y N 1.889 122.179 120.300 -0.016 0.000 2.097 535 Y HA -0.306 4.244 4.550 0.001 0.000 0.282 535 Y C 2.737 178.652 175.900 0.025 0.000 1.152 535 Y CA 1.700 59.807 58.100 0.011 0.000 1.136 535 Y CB -0.249 38.230 38.460 0.031 0.000 0.975 535 Y HN 0.147 nan 8.280 nan 0.000 0.498 536 Q N 0.102 119.918 119.800 0.026 0.000 2.170 536 Q HA -0.169 4.172 4.340 0.001 0.000 0.203 536 Q C 1.729 177.680 176.000 -0.082 0.000 0.976 536 Q CA 1.864 57.639 55.803 -0.047 0.000 0.858 536 Q CB -0.451 28.318 28.738 0.052 0.000 0.907 536 Q HN 0.606 nan 8.270 nan 0.000 0.433 537 D N -0.052 120.309 120.400 -0.064 0.000 2.123 537 D HA -0.083 4.557 4.640 0.001 0.000 0.200 537 D C 1.781 178.040 176.300 -0.068 0.000 0.976 537 D CA 0.483 54.452 54.000 -0.051 0.000 0.831 537 D CB -0.012 40.757 40.800 -0.053 0.000 0.974 537 D HN 0.054 nan 8.370 nan 0.000 0.469 538 L N 0.157 121.303 121.223 -0.128 0.000 2.072 538 L HA -0.027 4.314 4.340 0.001 0.000 0.205 538 L C 2.228 178.987 176.870 -0.186 0.000 1.079 538 L CA 1.114 55.860 54.840 -0.157 0.000 0.752 538 L CB -0.376 41.551 42.059 -0.220 0.000 0.906 538 L HN -0.126 nan 8.230 nan 0.000 0.436 539 R N -1.101 119.219 120.500 -0.301 0.000 2.096 539 R HA -0.220 4.121 4.340 0.001 0.000 0.235 539 R C 2.411 178.642 176.300 -0.116 0.000 1.127 539 R CA 1.567 57.493 56.100 -0.291 0.000 0.968 539 R CB -0.548 29.462 30.300 -0.483 0.000 0.861 539 R HN 0.497 nan 8.270 nan 0.000 0.440 540 H N -0.381 118.596 119.070 -0.155 0.000 2.321 540 H HA -0.016 4.540 4.556 0.001 0.000 0.300 540 H C 1.770 177.056 175.328 -0.070 0.000 1.087 540 H CA 2.490 58.481 56.048 -0.095 0.000 1.319 540 H CB -0.116 29.587 29.762 -0.098 0.000 1.379 540 H HN 0.176 nan 8.280 nan 0.000 0.501 541 M N -0.526 118.962 119.600 -0.186 0.000 2.159 541 M HA -0.107 4.374 4.480 0.001 0.000 0.263 541 M C 2.254 178.516 176.300 -0.063 0.000 1.063 541 M CA 1.420 56.629 55.300 -0.153 0.000 1.110 541 M CB -0.117 32.434 32.600 -0.082 0.000 1.374 541 M HN 0.319 nan 8.290 nan 0.000 0.411 542 I N 0.085 120.602 120.570 -0.087 0.000 2.252 542 I HA -0.234 3.937 4.170 0.001 0.000 0.245 542 I C 2.737 178.785 176.117 -0.114 0.000 1.102 542 I CA 1.145 62.394 61.300 -0.085 0.000 1.385 542 I CB -0.568 37.385 38.000 -0.079 0.000 1.064 542 I HN 0.237 nan 8.210 nan 0.000 0.414 543 A N 0.493 123.240 122.820 -0.121 0.000 1.902 543 A HA -0.155 4.166 4.320 0.001 0.000 0.217 543 A C 2.434 179.938 177.584 -0.132 0.000 1.181 543 A CA 1.803 53.780 52.037 -0.100 0.000 0.623 543 A CB -0.955 18.006 19.000 -0.065 0.000 0.818 543 A HN 0.239 nan 8.150 nan 0.000 0.443 544 V N 0.212 120.002 119.914 -0.207 0.000 2.295 544 V HA -0.258 3.863 4.120 0.001 0.000 0.246 544 V C 2.662 178.547 176.094 -0.349 0.000 1.049 544 V CA 2.251 64.440 62.300 -0.186 0.000 1.024 544 V CB -0.845 30.912 31.823 -0.112 0.000 0.648 544 V HN 0.701 nan 8.190 nan 0.000 0.447 545 R N 0.118 120.306 120.500 -0.520 0.000 2.096 545 R HA -0.244 4.097 4.340 0.001 0.000 0.240 545 R C 2.305 178.410 176.300 -0.324 0.000 1.139 545 R CA 2.218 57.857 56.100 -0.768 0.000 0.952 545 R CB -0.276 29.729 30.300 -0.492 0.000 0.854 545 R HN 0.605 nan 8.270 nan 0.000 0.436 546 Q N -0.282 119.413 119.800 -0.175 0.000 2.230 546 Q HA -0.076 4.265 4.340 0.001 0.000 0.202 546 Q C 1.990 177.971 176.000 -0.032 0.000 0.963 546 Q CA 1.699 57.458 55.803 -0.073 0.000 0.866 546 Q CB 0.237 28.947 28.738 -0.047 0.000 0.931 546 Q HN 0.493 nan 8.270 nan 0.000 0.452 547 S N -0.503 115.175 115.700 -0.036 0.000 2.492 547 S HA 0.043 4.514 4.470 0.001 0.000 0.218 547 S C 0.745 175.372 174.600 0.046 0.000 1.016 547 S CA -0.381 57.824 58.200 0.008 0.000 0.916 547 S CB 0.167 63.373 63.200 0.010 0.000 0.791 547 S HN 0.107 nan 8.310 nan 0.000 0.513 548 N N 3.301 122.046 118.700 0.074 0.000 2.414 548 N HA 0.302 5.042 4.740 0.001 0.000 0.256 548 N C -1.996 173.644 175.510 0.217 0.000 1.029 548 N CA -1.849 51.309 53.050 0.180 0.000 0.948 548 N CB 1.805 40.495 38.487 0.338 0.000 1.102 548 N HN 0.108 nan 8.380 nan 0.000 0.496 549 P HA -0.079 nan 4.420 nan 0.000 0.228 549 P C 0.602 177.933 177.300 0.052 0.000 1.151 549 P CA 0.761 63.911 63.100 0.083 0.000 0.770 549 P CB 0.399 32.126 31.700 0.045 0.000 0.786 550 R N -1.323 119.186 120.500 0.016 0.000 2.285 550 R HA 0.006 4.346 4.340 0.001 0.000 0.213 550 R C 1.447 177.558 176.300 -0.315 0.000 1.068 550 R CA 0.883 56.876 56.100 -0.178 0.000 1.004 550 R CB -0.571 29.544 30.300 -0.308 0.000 0.873 550 R HN 0.266 nan 8.270 nan 0.000 0.467 551 F N 0.175 120.060 119.950 -0.109 0.000 2.749 551 F HA 0.112 4.640 4.527 0.001 0.000 0.300 551 F C 0.810 176.566 175.800 -0.074 0.000 1.103 551 F CA -0.602 57.321 58.000 -0.130 0.000 1.342 551 F CB -0.026 38.870 39.000 -0.174 0.000 1.098 551 F HN -0.145 nan 8.300 nan 0.000 0.586 552 D N 0.438 120.894 120.400 0.095 0.000 2.423 552 D HA 0.384 5.024 4.640 0.001 0.000 0.238 552 D C 0.702 177.022 176.300 0.032 0.000 1.142 552 D CA 1.651 55.686 54.000 0.058 0.000 0.884 552 D CB 0.696 41.521 40.800 0.041 0.000 1.199 552 D HN 0.387 nan 8.370 nan 0.000 0.438 553 G N 1.320 110.137 108.800 0.028 0.000 2.796 553 G HA2 0.090 4.051 3.960 0.001 0.000 0.571 553 G HA3 0.090 4.051 3.960 0.001 0.000 0.571 553 G C 0.506 175.428 174.900 0.037 0.000 1.370 553 G CA -0.064 45.047 45.100 0.018 0.000 0.856 553 G HN 0.861 nan 8.290 nan 0.000 0.538 554 G N -0.548 108.273 108.800 0.035 0.000 3.441 554 G HA2 0.440 4.401 3.960 0.001 0.000 0.263 554 G HA3 0.440 4.401 3.960 0.001 0.000 0.263 554 G C 0.616 175.613 174.900 0.160 0.000 1.014 554 G CA 0.052 45.206 45.100 0.090 0.000 0.833 554 G HN 0.535 nan 8.290 nan 0.000 0.514 555 R N 0.383 120.943 120.500 0.099 0.000 2.457 555 R HA 0.683 5.023 4.340 0.001 0.000 0.284 555 R C -0.530 175.822 176.300 0.086 0.000 1.024 555 R CA -0.427 55.740 56.100 0.112 0.000 1.025 555 R CB 1.593 31.915 30.300 0.037 0.000 1.063 555 R HN 0.295 nan 8.270 nan 0.000 0.493 556 L N -2.034 119.235 121.223 0.076 0.000 2.540 556 L HA 0.679 5.020 4.340 0.001 0.000 0.256 556 L C -1.159 175.696 176.870 -0.025 0.000 1.001 556 L CA -1.003 53.823 54.840 -0.025 0.000 0.843 556 L CB 1.816 43.763 42.059 -0.187 0.000 1.436 556 L HN 0.192 nan 8.230 nan 0.000 0.410 557 V N 0.548 120.454 119.914 -0.014 0.000 2.531 557 V HA 0.676 4.797 4.120 0.001 0.000 0.301 557 V C 0.275 176.390 176.094 0.035 0.000 1.034 557 V CA 0.090 62.385 62.300 -0.009 0.000 0.865 557 V CB 1.996 33.826 31.823 0.011 0.000 0.995 557 V HN 1.082 nan 8.190 nan 0.000 0.424 558 T N 1.584 116.135 114.554 -0.005 0.000 2.868 558 T HA 0.580 4.931 4.350 0.001 0.000 0.292 558 T C -0.708 174.126 174.700 0.223 0.000 1.028 558 T CA -0.188 61.966 62.100 0.089 0.000 1.059 558 T CB 1.010 69.807 68.868 -0.119 0.000 0.991 558 T HN 0.427 nan 8.240 nan 0.000 0.531 559 F N 1.786 121.827 119.950 0.153 0.000 2.493 559 F HA 0.432 4.960 4.527 0.001 0.000 0.329 559 F C -0.402 175.517 175.800 0.198 0.000 1.126 559 F CA -1.325 56.757 58.000 0.137 0.000 0.937 559 F CB 1.397 40.442 39.000 0.076 0.000 1.146 559 F HN 0.513 nan 8.300 nan 0.000 0.442 560 N N 4.015 122.417 118.700 -0.497 0.000 2.405 560 N HA 0.046 4.786 4.740 0.001 0.000 0.260 560 N C 1.040 176.250 175.510 -0.500 0.000 1.152 560 N CA 0.513 53.325 53.050 -0.395 0.000 0.948 560 N CB 1.399 39.694 38.487 -0.320 0.000 1.111 560 N HN 0.804 nan 8.380 nan 0.000 0.485 561 T N -1.274 113.215 114.554 -0.110 0.000 3.067 561 T HA -0.039 4.312 4.350 0.001 0.000 0.261 561 T C 0.616 175.301 174.700 -0.025 0.000 1.110 561 T CA 0.094 62.238 62.100 0.074 0.000 1.113 561 T CB 0.043 69.017 68.868 0.177 0.000 0.917 561 T HN 0.483 nan 8.240 nan 0.000 0.499 562 N N 1.834 120.478 118.700 -0.094 0.000 2.741 562 N HA -0.145 4.595 4.740 0.001 0.000 0.251 562 N C -0.741 174.728 175.510 -0.068 0.000 1.112 562 N CA 0.996 53.995 53.050 -0.084 0.000 0.750 562 N CB -1.658 36.794 38.487 -0.059 0.000 1.119 562 N HN 0.634 nan 8.380 nan 0.000 0.561 563 N N 0.809 119.471 118.700 -0.063 0.000 2.519 563 N HA 0.107 4.848 4.740 0.001 0.000 0.286 563 N C 0.951 176.406 175.510 -0.092 0.000 1.079 563 N CA -0.446 52.572 53.050 -0.055 0.000 0.878 563 N CB 1.028 39.510 38.487 -0.008 0.000 1.375 563 N HN 0.185 nan 8.380 nan 0.000 0.514 564 K N 2.152 122.431 120.400 -0.201 0.000 2.520 564 K HA -0.093 4.228 4.320 0.001 0.000 0.197 564 K C 0.066 176.494 176.600 -0.287 0.000 1.043 564 K CA 1.141 57.261 56.287 -0.279 0.000 0.944 564 K CB -0.023 32.260 32.500 -0.362 0.000 0.770 564 K HN 0.499 nan 8.250 nan 0.000 0.480 565 H N 0.145 119.231 119.070 0.026 0.000 2.622 565 H HA 0.310 4.867 4.556 0.001 0.000 0.269 565 H C 0.205 175.616 175.328 0.137 0.000 0.977 565 H CA -0.037 56.054 56.048 0.072 0.000 1.179 565 H CB 0.499 30.294 29.762 0.056 0.000 1.458 565 H HN 0.124 nan 8.280 nan 0.000 0.531 566 I N 1.706 122.395 120.570 0.198 0.000 2.389 566 I HA 0.158 4.329 4.170 0.001 0.000 0.288 566 I C -0.384 175.891 176.117 0.263 0.000 0.999 566 I CA -0.953 60.485 61.300 0.229 0.000 1.129 566 I CB 2.271 40.338 38.000 0.112 0.000 1.288 566 I HN -0.140 nan 8.210 nan 0.000 0.444 567 I N 5.077 125.873 120.570 0.376 0.000 2.532 567 I HA 0.719 4.890 4.170 0.001 0.000 0.292 567 I C 0.308 176.704 176.117 0.465 0.000 1.014 567 I CA 0.289 61.822 61.300 0.389 0.000 1.340 567 I CB 1.473 39.723 38.000 0.416 0.000 1.422 567 I HN 0.616 nan 8.210 nan 0.000 0.528 568 G N 6.054 115.138 108.800 0.473 0.000 2.719 568 G HA2 0.637 4.598 3.960 0.001 0.000 0.298 568 G HA3 0.637 4.598 3.960 0.001 0.000 0.298 568 G C -2.010 173.093 174.900 0.338 0.000 1.411 568 G CA -0.471 44.854 45.100 0.375 0.000 0.991 568 G HN 0.726 nan 8.290 nan 0.000 0.509 569 Y N -0.733 119.586 120.300 0.031 0.000 2.624 569 Y HA 0.771 5.321 4.550 0.001 0.000 0.334 569 Y C -1.285 174.524 175.900 -0.150 0.000 1.155 569 Y CA -1.793 56.290 58.100 -0.028 0.000 1.046 569 Y CB 1.248 39.664 38.460 -0.074 0.000 1.316 569 Y HN 0.504 nan 8.280 nan 0.000 0.457 570 I N 3.243 123.832 120.570 0.032 0.000 2.465 570 I HA 0.531 4.701 4.170 0.001 0.000 0.291 570 I C -0.803 175.274 176.117 -0.068 0.000 1.014 570 I CA -1.169 60.066 61.300 -0.109 0.000 1.093 570 I CB 1.741 39.680 38.000 -0.102 0.000 1.267 570 I HN 0.504 nan 8.210 nan 0.000 0.431 571 R N 5.063 125.464 120.500 -0.164 0.000 2.393 571 R HA 0.355 4.696 4.340 0.001 0.000 0.310 571 R C 0.136 176.332 176.300 -0.173 0.000 0.968 571 R CA -0.716 55.284 56.100 -0.167 0.000 0.867 571 R CB 0.788 30.914 30.300 -0.290 0.000 1.124 571 R HN 0.643 nan 8.270 nan 0.000 0.450 572 N N 1.841 120.476 118.700 -0.109 0.000 2.696 572 N HA -0.290 4.450 4.740 0.001 0.000 0.249 572 N C -0.186 175.272 175.510 -0.087 0.000 1.090 572 N CA 1.108 54.105 53.050 -0.088 0.000 0.716 572 N CB -0.674 37.755 38.487 -0.096 0.000 1.020 572 N HN 0.783 nan 8.380 nan 0.000 0.548 573 N N -1.826 116.823 118.700 -0.086 0.000 2.708 573 N HA -0.280 4.461 4.740 0.001 0.000 0.249 573 N C 0.420 175.873 175.510 -0.095 0.000 1.097 573 N CA 1.357 54.362 53.050 -0.076 0.000 0.710 573 N CB -0.971 37.489 38.487 -0.045 0.000 1.032 573 N HN 0.677 nan 8.380 nan 0.000 0.551 574 A N -1.788 120.949 122.820 -0.137 0.000 2.480 574 A HA 0.329 4.650 4.320 0.001 0.000 0.191 574 A C -0.275 177.188 177.584 -0.201 0.000 1.503 574 A CA -0.109 51.843 52.037 -0.141 0.000 1.110 574 A CB 0.631 19.561 19.000 -0.117 0.000 1.401 574 A HN 0.222 nan 8.150 nan 0.000 0.533 575 L N 1.558 122.610 121.223 -0.285 0.000 2.372 575 L HA 0.628 4.968 4.340 0.001 0.000 0.274 575 L C -1.823 174.804 176.870 -0.405 0.000 0.988 575 L CA -0.651 53.961 54.840 -0.381 0.000 0.833 575 L CB 1.446 43.123 42.059 -0.635 0.000 1.236 575 L HN 0.245 nan 8.230 nan 0.000 0.410 576 L N 5.509 126.485 121.223 -0.411 0.000 2.262 576 L HA 0.726 5.066 4.340 0.001 0.000 0.288 576 L C -0.258 176.220 176.870 -0.652 0.000 1.035 576 L CA -0.069 54.423 54.840 -0.580 0.000 0.820 576 L CB 1.291 42.958 42.059 -0.652 0.000 1.204 576 L HN 0.710 nan 8.230 nan 0.000 0.424 577 A N 4.824 127.179 122.820 -0.774 0.000 2.292 577 A HA 0.776 5.097 4.320 0.001 0.000 0.319 577 A C -1.249 175.956 177.584 -0.633 0.000 1.206 577 A CA -0.317 51.349 52.037 -0.620 0.000 0.835 577 A CB 0.297 18.795 19.000 -0.837 0.000 1.164 577 A HN 0.560 nan 8.150 nan 0.000 0.505 578 F N 0.847 120.753 119.950 -0.073 0.000 2.520 578 F HA 0.675 5.202 4.527 0.001 0.000 0.322 578 F C 0.682 176.517 175.800 0.060 0.000 1.103 578 F CA -0.899 57.101 58.000 0.000 0.000 0.926 578 F CB 2.713 41.719 39.000 0.010 0.000 1.154 578 F HN 0.690 nan 8.300 nan 0.000 0.453 579 G N 1.837 110.845 108.800 0.346 0.000 2.737 579 G HA2 0.337 4.298 3.960 0.001 0.000 0.290 579 G HA3 0.337 4.298 3.960 0.001 0.000 0.290 579 G C -1.671 173.360 174.900 0.219 0.000 1.482 579 G CA -0.717 44.519 45.100 0.226 0.000 1.017 579 G HN 0.472 nan 8.290 nan 0.000 0.529 580 N N 1.890 120.622 118.700 0.054 0.000 2.420 580 N HA 0.300 5.041 4.740 0.001 0.000 0.249 580 N C -0.098 175.368 175.510 -0.075 0.000 1.033 580 N CA -0.962 52.108 53.050 0.034 0.000 0.944 580 N CB 0.565 39.015 38.487 -0.061 0.000 1.113 580 N HN 0.263 nan 8.380 nan 0.000 0.502 581 F N 0.874 120.846 119.950 0.035 0.000 2.692 581 F HA 0.235 4.763 4.527 0.001 0.000 0.303 581 F C 1.373 177.108 175.800 -0.109 0.000 1.114 581 F CA -0.128 57.918 58.000 0.076 0.000 1.361 581 F CB 0.094 39.184 39.000 0.149 0.000 1.063 581 F HN 0.324 nan 8.300 nan 0.000 0.550 582 S N 0.531 116.081 115.700 -0.250 0.000 2.608 582 S HA 0.159 4.630 4.470 0.001 0.000 0.291 582 S C 1.110 175.128 174.600 -0.969 0.000 1.146 582 S CA -0.672 57.255 58.200 -0.456 0.000 1.043 582 S CB 0.839 63.783 63.200 -0.426 0.000 1.037 582 S HN 0.420 nan 8.310 nan 0.000 0.520 583 E N 2.388 122.023 120.200 -0.941 0.000 2.476 583 E HA 0.017 4.368 4.350 0.001 0.000 0.191 583 E C -0.844 175.221 176.600 -0.892 0.000 1.064 583 E CA 0.247 55.958 56.400 -1.147 0.000 0.866 583 E CB -0.171 28.999 29.700 -0.884 0.000 0.952 583 E HN 0.637 nan 8.360 nan 0.000 0.492 584 Y N 0.388 120.479 120.300 -0.347 0.000 2.598 584 Y HA 0.467 5.018 4.550 0.001 0.000 0.340 584 Y C -2.298 173.483 175.900 -0.198 0.000 1.038 584 Y CA -3.266 54.713 58.100 -0.201 0.000 1.100 584 Y CB 0.871 39.235 38.460 -0.160 0.000 1.281 584 Y HN -0.188 nan 8.280 nan 0.000 0.488 585 P HA 0.129 nan 4.420 nan 0.000 0.268 585 P C -0.942 176.349 177.300 -0.014 0.000 1.205 585 P CA -0.040 63.055 63.100 -0.008 0.000 0.771 585 P CB 0.580 32.285 31.700 0.008 0.000 0.858 586 Q N 1.022 120.803 119.800 -0.032 0.000 2.397 586 Q HA 0.481 4.822 4.340 0.001 0.000 0.275 586 Q C -0.717 175.263 176.000 -0.032 0.000 1.090 586 Q CA -0.343 55.453 55.803 -0.011 0.000 0.809 586 Q CB 2.229 30.975 28.738 0.013 0.000 1.362 586 Q HN 0.293 nan 8.270 nan 0.000 0.431 587 T N 0.586 115.124 114.554 -0.026 0.000 2.855 587 T HA 0.566 4.917 4.350 0.001 0.000 0.281 587 T C -0.367 174.288 174.700 -0.076 0.000 1.007 587 T CA -0.488 61.580 62.100 -0.053 0.000 1.009 587 T CB 1.438 70.288 68.868 -0.031 0.000 0.983 587 T HN 0.227 nan 8.240 nan 0.000 0.455 588 V N 3.820 123.658 119.914 -0.126 0.000 2.357 588 V HA 0.380 4.500 4.120 0.001 0.000 0.284 588 V C 0.941 177.006 176.094 -0.049 0.000 1.018 588 V CA -0.976 61.243 62.300 -0.135 0.000 0.841 588 V CB 1.152 32.770 31.823 -0.343 0.000 0.991 588 V HN 1.137 nan 8.190 nan 0.000 0.437 589 T N 2.496 117.053 114.554 0.006 0.000 2.856 589 T HA 0.366 4.716 4.350 0.001 0.000 0.306 589 T C 1.443 176.191 174.700 0.079 0.000 1.062 589 T CA 0.198 62.324 62.100 0.043 0.000 1.083 589 T CB 1.442 70.347 68.868 0.062 0.000 0.984 589 T HN 0.786 nan 8.240 nan 0.000 0.542 590 A N 0.744 123.612 122.820 0.079 0.000 1.972 590 A HA -0.143 4.178 4.320 0.001 0.000 0.219 590 A C 2.290 179.935 177.584 0.103 0.000 1.169 590 A CA 1.676 53.762 52.037 0.082 0.000 0.635 590 A CB -1.311 17.730 19.000 0.067 0.000 0.810 590 A HN 1.087 nan 8.150 nan 0.000 0.446 591 H N 0.069 119.163 119.070 0.041 0.000 2.352 591 H HA -0.105 4.452 4.556 0.001 0.000 0.299 591 H C 1.865 177.229 175.328 0.060 0.000 1.097 591 H CA 2.052 58.125 56.048 0.041 0.000 1.311 591 H CB -0.188 29.587 29.762 0.023 0.000 1.377 591 H HN 0.423 nan 8.280 nan 0.000 0.504 592 T N 1.086 115.773 114.554 0.223 0.000 2.915 592 T HA -0.029 4.322 4.350 0.001 0.000 0.269 592 T C 2.004 176.855 174.700 0.252 0.000 1.071 592 T CA 0.804 63.026 62.100 0.204 0.000 1.132 592 T CB -0.041 68.932 68.868 0.175 0.000 0.878 592 T HN 0.248 nan 8.240 nan 0.000 0.479 593 L N 0.884 122.229 121.223 0.203 0.000 2.611 593 L HA 0.196 4.537 4.340 0.001 0.000 0.229 593 L C 2.290 179.230 176.870 0.117 0.000 1.137 593 L CA 0.065 55.025 54.840 0.200 0.000 0.901 593 L CB -0.382 41.767 42.059 0.150 0.000 1.098 593 L HN 0.212 nan 8.230 nan 0.000 0.456 594 Q N 0.729 120.563 119.800 0.058 0.000 2.197 594 Q HA -0.213 4.128 4.340 0.001 0.000 0.207 594 Q C 2.239 178.261 176.000 0.036 0.000 0.984 594 Q CA 1.779 57.589 55.803 0.011 0.000 0.869 594 Q CB -0.149 28.537 28.738 -0.086 0.000 0.906 594 Q HN 0.622 nan 8.270 nan 0.000 0.426 595 A N -0.394 122.466 122.820 0.067 0.000 2.208 595 A HA 0.048 4.368 4.320 0.001 0.000 0.209 595 A C 0.793 178.415 177.584 0.064 0.000 1.161 595 A CA 0.184 52.260 52.037 0.066 0.000 0.782 595 A CB 0.130 19.181 19.000 0.086 0.000 0.816 595 A HN 0.135 nan 8.150 nan 0.000 0.477 596 M N 0.027 119.668 119.600 0.068 0.000 2.283 596 M HA 0.334 4.815 4.480 0.001 0.000 0.314 596 M C -2.422 173.922 176.300 0.074 0.000 1.153 596 M CA -2.605 52.720 55.300 0.041 0.000 1.084 596 M CB -0.605 32.002 32.600 0.013 0.000 1.468 596 M HN -0.142 nan 8.290 nan 0.000 0.474 597 P HA 0.060 nan 4.420 nan 0.000 0.269 597 P C 0.592 178.037 177.300 0.242 0.000 1.215 597 P CA -0.052 63.153 63.100 0.176 0.000 0.780 597 P CB 0.141 31.928 31.700 0.145 0.000 0.898 598 F N 0.320 120.275 119.950 0.009 0.000 2.269 598 F HA 0.007 4.535 4.527 0.001 0.000 0.301 598 F C 0.404 176.215 175.800 0.019 0.000 1.082 598 F CA 0.616 58.624 58.000 0.014 0.000 1.360 598 F CB -0.148 38.859 39.000 0.012 0.000 1.041 598 F HN 0.074 nan 8.300 nan 0.000 0.512 599 K N 0.480 120.517 120.400 -0.606 0.000 2.477 599 K HA 0.787 5.108 4.320 0.001 0.000 0.255 599 K C -1.462 174.990 176.600 -0.247 0.000 0.952 599 K CA -0.799 55.135 56.287 -0.590 0.000 0.826 599 K CB 2.398 34.281 32.500 -1.028 0.000 1.331 599 K HN 0.112 nan 8.250 nan 0.000 0.437 600 A N 1.191 123.928 122.820 -0.138 0.000 2.547 600 A HA 0.370 4.691 4.320 0.001 0.000 0.297 600 A C -1.909 175.685 177.584 0.016 0.000 1.056 600 A CA -0.667 51.347 52.037 -0.039 0.000 0.688 600 A CB 0.970 19.950 19.000 -0.034 0.000 1.282 600 A HN 0.833 nan 8.150 nan 0.000 0.400 601 H N 0.972 120.024 119.070 -0.031 0.000 2.646 601 H HA 0.466 5.023 4.556 0.001 0.000 0.325 601 H C -0.595 174.753 175.328 0.033 0.000 1.075 601 H CA 0.548 56.596 56.048 0.000 0.000 1.421 601 H CB 0.956 30.728 29.762 0.015 0.000 1.461 601 H HN 0.601 nan 8.280 nan 0.000 0.525 602 D N 4.341 124.454 120.400 -0.479 0.000 2.359 602 D HA 0.062 4.702 4.640 0.001 0.000 0.230 602 D C 0.666 176.702 176.300 -0.440 0.000 1.118 602 D CA -0.319 53.498 54.000 -0.305 0.000 0.844 602 D CB 0.660 41.364 40.800 -0.161 0.000 1.059 602 D HN 0.652 nan 8.370 nan 0.000 0.493 603 L N 3.784 124.944 121.223 -0.106 0.000 2.275 603 L HA -0.081 4.259 4.340 0.001 0.000 0.215 603 L C 1.807 178.761 176.870 0.140 0.000 1.119 603 L CA 0.254 55.155 54.840 0.101 0.000 0.790 603 L CB -0.245 42.041 42.059 0.378 0.000 0.919 603 L HN 0.591 nan 8.230 nan 0.000 0.443 604 I N 0.078 120.645 120.570 -0.005 0.000 2.162 604 I HA -0.096 4.075 4.170 0.001 0.000 0.238 604 I C 2.462 178.548 176.117 -0.052 0.000 1.076 604 I CA 1.828 63.073 61.300 -0.092 0.000 1.353 604 I CB -1.553 36.263 38.000 -0.306 0.000 1.063 604 I HN 0.211 nan 8.210 nan 0.000 0.408 605 G N -0.903 107.842 108.800 -0.092 0.000 2.744 605 G HA2 0.216 4.177 3.960 0.001 0.000 0.211 605 G HA3 0.216 4.177 3.960 0.001 0.000 0.211 605 G C 1.382 176.237 174.900 -0.074 0.000 1.146 605 G CA 0.694 45.738 45.100 -0.093 0.000 0.787 605 G HN 0.587 nan 8.290 nan 0.000 0.534 606 G N -0.373 108.372 108.800 -0.091 0.000 2.179 606 G HA2 -0.260 3.701 3.960 0.001 0.000 0.260 606 G HA3 -0.260 3.701 3.960 0.001 0.000 0.260 606 G C 0.430 175.356 174.900 0.044 0.000 0.977 606 G CA 0.616 45.713 45.100 -0.005 0.000 0.641 606 G HN 0.622 nan 8.290 nan 0.000 0.533 607 K N 0.322 120.691 120.400 -0.052 0.000 2.106 607 K HA 0.596 4.916 4.320 0.001 0.000 0.246 607 K C -0.022 176.583 176.600 0.008 0.000 0.987 607 K CA -0.380 55.913 56.287 0.009 0.000 0.904 607 K CB 0.980 33.472 32.500 -0.013 0.000 1.071 607 K HN 0.055 nan 8.250 nan 0.000 0.453 608 T N 1.348 115.934 114.554 0.052 0.000 2.806 608 T HA 0.257 4.608 4.350 0.001 0.000 0.290 608 T C -0.332 174.353 174.700 -0.026 0.000 0.966 608 T CA -0.631 61.489 62.100 0.034 0.000 1.060 608 T CB 0.757 69.635 68.868 0.016 0.000 0.927 608 T HN 0.137 nan 8.240 nan 0.000 0.485 609 V N 2.901 122.788 119.914 -0.044 0.000 2.483 609 V HA 0.503 4.624 4.120 0.001 0.000 0.295 609 V C 0.408 176.456 176.094 -0.076 0.000 1.035 609 V CA -0.884 61.389 62.300 -0.045 0.000 0.896 609 V CB 1.936 33.747 31.823 -0.020 0.000 0.986 609 V HN 0.910 nan 8.190 nan 0.000 0.447 610 S N 3.901 119.563 115.700 -0.062 0.000 2.489 610 S HA 0.483 4.954 4.470 0.001 0.000 0.277 610 S C 0.412 175.000 174.600 -0.022 0.000 1.230 610 S CA -0.525 57.633 58.200 -0.070 0.000 1.053 610 S CB 0.358 63.534 63.200 -0.039 0.000 0.955 610 S HN 0.621 nan 8.310 nan 0.000 0.488 611 L N 4.512 125.730 121.223 -0.008 0.000 2.693 611 L HA 0.251 4.592 4.340 0.001 0.000 0.235 611 L C 1.306 178.213 176.870 0.063 0.000 1.127 611 L CA -0.173 54.689 54.840 0.037 0.000 0.914 611 L CB -0.139 41.946 42.059 0.044 0.000 1.193 611 L HN 0.703 nan 8.230 nan 0.000 0.502 612 N N 0.715 119.457 118.700 0.070 0.000 2.295 612 N HA 0.005 4.746 4.740 0.001 0.000 0.221 612 N C -0.061 175.485 175.510 0.061 0.000 1.129 612 N CA -0.199 52.900 53.050 0.083 0.000 0.836 612 N CB 0.432 38.992 38.487 0.123 0.000 1.040 612 N HN 0.533 nan 8.380 nan 0.000 0.494 613 Q N -1.470 118.358 119.800 0.047 0.000 2.534 613 Q HA 0.351 4.692 4.340 0.001 0.000 0.290 613 Q C -1.853 174.164 176.000 0.028 0.000 0.991 613 Q CA -0.895 54.930 55.803 0.036 0.000 0.783 613 Q CB 0.554 29.309 28.738 0.028 0.000 1.470 613 Q HN -0.226 nan 8.270 nan 0.000 0.406 614 D N 1.289 121.702 120.400 0.022 0.000 2.533 614 D HA 0.124 4.765 4.640 0.001 0.000 0.236 614 D C -0.861 175.434 176.300 -0.009 0.000 1.137 614 D CA 0.309 54.314 54.000 0.008 0.000 0.867 614 D CB 0.592 41.395 40.800 0.005 0.000 1.170 614 D HN 0.404 nan 8.370 nan 0.000 0.474 615 L N 2.795 123.999 121.223 -0.032 0.000 2.276 615 L HA 0.306 4.647 4.340 0.001 0.000 0.286 615 L C -0.464 176.361 176.870 -0.074 0.000 1.024 615 L CA -0.148 54.661 54.840 -0.052 0.000 0.826 615 L CB 1.405 43.417 42.059 -0.077 0.000 1.211 615 L HN 0.156 nan 8.230 nan 0.000 0.422 616 T N 6.467 120.991 114.554 -0.050 0.000 2.758 616 T HA 0.519 4.870 4.350 0.001 0.000 0.285 616 T C -0.106 174.566 174.700 -0.047 0.000 0.981 616 T CA -0.284 61.787 62.100 -0.048 0.000 0.965 616 T CB 0.625 69.475 68.868 -0.028 0.000 0.927 616 T HN 0.410 nan 8.240 nan 0.000 0.448 617 L N 3.594 124.783 121.223 -0.058 0.000 2.307 617 L HA 0.398 4.738 4.340 0.001 0.000 0.282 617 L C 0.720 177.562 176.870 -0.047 0.000 1.051 617 L CA -1.133 53.678 54.840 -0.049 0.000 0.804 617 L CB 1.062 43.087 42.059 -0.055 0.000 1.197 617 L HN 0.409 nan 8.230 nan 0.000 0.431 618 Q N 2.662 122.439 119.800 -0.038 0.000 2.471 618 Q HA 0.257 4.598 4.340 0.001 0.000 0.223 618 Q C -2.195 173.759 176.000 -0.077 0.000 1.045 618 Q CA -1.915 53.867 55.803 -0.033 0.000 0.956 618 Q CB -0.007 28.726 28.738 -0.009 0.000 1.249 618 Q HN 0.284 nan 8.270 nan 0.000 0.549 619 P HA -0.087 nan 4.420 nan 0.000 0.261 619 P C -0.842 176.335 177.300 -0.204 0.000 1.183 619 P CA 0.572 63.495 63.100 -0.295 0.000 0.761 619 P CB -0.037 31.509 31.700 -0.257 0.000 0.785 620 Y N -0.750 119.448 120.300 -0.169 0.000 4.604 620 Y HA -0.280 4.271 4.550 0.001 0.000 0.230 620 Y C 1.000 176.803 175.900 -0.162 0.000 1.066 620 Y CA 0.814 58.791 58.100 -0.206 0.000 1.990 620 Y CB -2.560 35.772 38.460 -0.213 0.000 1.619 620 Y HN 0.444 nan 8.280 nan 0.000 0.649 621 Q N 0.670 120.454 119.800 -0.027 0.000 2.373 621 Q HA 0.494 4.835 4.340 0.001 0.000 0.255 621 Q C -0.537 175.443 176.000 -0.034 0.000 0.980 621 Q CA -0.146 55.639 55.803 -0.030 0.000 0.882 621 Q CB 0.905 29.625 28.738 -0.030 0.000 1.249 621 Q HN 0.167 nan 8.270 nan 0.000 0.438 622 V N 4.920 124.796 119.914 -0.063 0.000 2.604 622 V HA 0.492 4.613 4.120 0.001 0.000 0.305 622 V C -0.316 175.724 176.094 -0.090 0.000 1.043 622 V CA -0.668 61.593 62.300 -0.065 0.000 0.888 622 V CB 1.771 33.498 31.823 -0.159 0.000 0.995 622 V HN 0.870 nan 8.190 nan 0.000 0.429 623 M N 3.935 123.551 119.600 0.027 0.000 2.395 623 M HA 0.483 4.964 4.480 0.001 0.000 0.307 623 M C -1.798 174.622 176.300 0.199 0.000 1.091 623 M CA -0.264 55.069 55.300 0.055 0.000 0.919 623 M CB 2.781 35.468 32.600 0.145 0.000 1.662 623 M HN 0.565 nan 8.290 nan 0.000 0.440 624 W N 4.984 126.255 121.300 -0.049 0.000 2.394 624 W HA 0.518 5.178 4.660 0.001 0.000 0.312 624 W C -1.363 175.091 176.519 -0.108 0.000 0.981 624 W CA -1.019 56.282 57.345 -0.073 0.000 1.519 624 W CB 0.400 29.905 29.460 0.075 0.000 1.304 624 W HN 0.484 nan 8.180 nan 0.000 0.412 625 L N 2.819 124.045 121.223 0.005 0.000 2.276 625 L HA 0.318 4.659 4.340 0.001 0.000 0.286 625 L C 0.820 177.639 176.870 -0.085 0.000 1.061 625 L CA -0.458 54.350 54.840 -0.053 0.000 0.807 625 L CB 0.940 42.938 42.059 -0.102 0.000 1.177 625 L HN 0.151 nan 8.230 nan 0.000 0.429 626 E N 4.469 124.660 120.200 -0.015 0.000 1.996 626 E HA 0.109 4.459 4.350 0.001 0.000 0.280 626 E C 0.712 177.291 176.600 -0.035 0.000 1.092 626 E CA -0.099 56.288 56.400 -0.021 0.000 0.862 626 E CB 0.757 30.495 29.700 0.063 0.000 1.066 626 E HN 0.596 nan 8.360 nan 0.000 0.396 627 I N -0.628 119.893 120.570 -0.082 0.000 3.875 627 I HA 0.481 4.652 4.170 0.001 0.000 0.329 627 I C 0.481 176.574 176.117 -0.040 0.000 1.295 627 I CA -0.302 60.958 61.300 -0.066 0.000 1.129 627 I CB 0.363 38.295 38.000 -0.113 0.000 1.008 627 I HN 0.272 nan 8.210 nan 0.000 0.413 628 A N 0.000 122.796 122.820 -0.040 0.000 2.254 628 A HA 0.000 4.321 4.320 0.001 0.000 0.244 628 A CA 0.000 52.022 52.037 -0.026 0.000 0.836 628 A CB 0.000 18.978 19.000 -0.037 0.000 0.831 628 A HN 0.000 nan 8.150 nan 0.000 0.486