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 3nwf_1_A DATA FIRST_RESID 103 DATA SEQUENCE DIKAENTDAN FYVcPPPTGA TVVQFEQPRR cPTRPEGQNY TEGIAVVFKE DATA SEQUENCE NIAPYKFKAT MYYKDVTVSQ VWFGHRYSQF MGIFEDRAPV PFEEVIDKIN DATA SEQUENCE AKGVcRSTAK YVRNNLETTA FHRDDHETDM ELKPANAATR TSRGWHTTDL DATA SEQUENCE KYNPSRVEXX HRYGTTVNcI VEEVDARSVY PYDEFVLATG DFVYMSPFYG DATA SEQUENCE YREGSHTEHT SYAADRFKQV DGFYARDLTT KARATAPTTR NLLTTPKFTV DATA SEQUENCE AWDWVPKRPS VcTMTKWQEV DEMLRSEYGG SFRFSSDAIS TTFTTNLTEY DATA SEQUENCE PLSRVDLGDc IGKDARDAMD RIFARRYNAT HIKVGQPQYY LANGGFLIAY DATA SEQUENCE QPLLSNTLAE LYVREHLREQ SRKPXXXXXX XXXXXXXXXV ERIKTTSSIE DATA SEQUENCE FARLQFTYNH IQRHVNDMLG RVAIAWcELQ NHELTLWNEA RKLNPNAIAS DATA SEQUENCE VTVGRRVSAR MLGDVMAVST cVPVAADNVI VQNSMRISSR PGAcYSRPLV DATA SEQUENCE SFRYEDQGPL VEGQLGENNE LRLTRDAIEP cTVGHRRYFT FGGGYVYFEE DATA SEQUENCE YAYSHQLSRA DITTVSTFID LNITMLEDHE FVPLEVYTRH EIKDSGLLDY DATA SEQUENCE TEVQRRNQLH DLRFADIDTV IH 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 103 D HA 0.000 nan 4.640 nan 0.000 0.175 103 D C 0.000 176.270 176.300 -0.050 0.000 2.045 103 D CA 0.000 53.976 54.000 -0.040 0.000 0.868 103 D CB 0.000 40.766 40.800 -0.056 0.000 0.688 104 I N 2.557 123.076 120.570 -0.084 0.000 2.256 104 I HA 0.240 4.410 4.170 0.000 0.000 0.294 104 I C 0.209 176.340 176.117 0.023 0.000 1.127 104 I CA -0.052 61.184 61.300 -0.106 0.000 1.247 104 I CB 0.499 38.317 38.000 -0.302 0.000 1.460 104 I HN -0.000 nan 8.210 nan 0.000 0.511 105 K N 3.772 124.224 120.400 0.087 0.000 2.106 105 K HA 0.651 4.971 4.320 0.000 0.000 0.246 105 K C 0.096 176.872 176.600 0.294 0.000 0.987 105 K CA -0.795 55.591 56.287 0.166 0.000 0.904 105 K CB 1.594 34.143 32.500 0.082 0.000 1.071 105 K HN 0.557 nan 8.250 nan 0.000 0.453 106 A N 1.493 124.476 122.820 0.272 0.000 2.522 106 A HA -0.046 4.274 4.320 0.000 0.000 0.256 106 A C 1.088 178.744 177.584 0.119 0.000 1.086 106 A CA 0.245 52.368 52.037 0.142 0.000 0.763 106 A CB -0.045 18.766 19.000 -0.315 0.000 1.024 106 A HN 0.970 nan 8.150 nan 0.000 0.502 107 E N 2.537 122.847 120.200 0.184 0.000 2.107 107 E HA -0.142 4.208 4.350 0.000 0.000 0.191 107 E C -0.242 176.403 176.600 0.075 0.000 0.982 107 E CA 1.170 57.653 56.400 0.138 0.000 0.809 107 E CB -0.069 29.741 29.700 0.183 0.000 0.756 107 E HN 0.856 nan 8.360 nan 0.000 0.459 108 N N 0.306 119.032 118.700 0.043 0.000 2.437 108 N HA 0.079 4.819 4.740 0.000 0.000 0.259 108 N C -0.136 175.355 175.510 -0.033 0.000 0.983 108 N CA -0.009 53.045 53.050 0.007 0.000 0.937 108 N CB 1.830 40.317 38.487 0.001 0.000 1.122 108 N HN 0.010 nan 8.380 nan 0.000 0.499 109 T N -3.186 111.359 114.554 -0.015 0.000 3.069 109 T HA -0.039 4.311 4.350 0.000 0.000 0.252 109 T C 0.283 174.975 174.700 -0.014 0.000 1.053 109 T CA -0.354 61.737 62.100 -0.016 0.000 0.964 109 T CB -0.218 68.648 68.868 -0.003 0.000 1.005 109 T HN 0.469 nan 8.240 nan 0.000 0.532 110 D N 1.987 122.376 120.400 -0.017 0.000 2.982 110 D HA 0.515 5.155 4.640 0.000 0.000 0.238 110 D C 0.324 176.608 176.300 -0.027 0.000 1.168 110 D CA -0.272 53.719 54.000 -0.015 0.000 0.947 110 D CB -0.270 40.525 40.800 -0.010 0.000 1.147 110 D HN 0.587 nan 8.370 nan 0.000 0.450 111 A N 0.339 123.142 122.820 -0.028 0.000 2.588 111 A HA 0.652 4.972 4.320 0.000 0.000 0.309 111 A C -1.375 176.199 177.584 -0.018 0.000 1.173 111 A CA -0.933 51.077 52.037 -0.045 0.000 0.631 111 A CB 1.071 20.003 19.000 -0.113 0.000 1.364 111 A HN 0.185 nan 8.150 nan 0.000 0.526 112 N N -1.573 117.103 118.700 -0.040 0.000 2.357 112 N HA 0.823 5.563 4.740 0.000 0.000 0.284 112 N C -1.798 173.654 175.510 -0.096 0.000 1.236 112 N CA -0.198 52.850 53.050 -0.003 0.000 0.774 112 N CB 1.314 39.837 38.487 0.060 0.000 1.534 112 N HN 0.435 nan 8.380 nan 0.000 0.478 113 F N 0.526 120.371 119.950 -0.174 0.000 2.579 113 F HA 0.578 5.105 4.527 0.000 0.000 0.324 113 F C -0.802 174.802 175.800 -0.326 0.000 1.058 113 F CA -0.335 57.581 58.000 -0.140 0.000 0.944 113 F CB 1.342 40.233 39.000 -0.182 0.000 1.245 113 F HN 0.307 nan 8.300 nan 0.000 0.477 114 Y N 0.374 120.720 120.300 0.077 0.000 2.504 114 Y HA 0.607 5.157 4.550 0.000 0.000 0.344 114 Y C -1.038 174.868 175.900 0.011 0.000 1.023 114 Y CA -1.158 56.964 58.100 0.037 0.000 1.020 114 Y CB 2.149 40.619 38.460 0.016 0.000 1.282 114 Y HN 0.169 nan 8.280 nan 0.000 0.454 115 V N 2.481 122.503 119.914 0.180 0.000 2.334 115 V HA 0.265 4.385 4.120 0.000 0.000 0.281 115 V C -0.788 175.416 176.094 0.183 0.000 1.016 115 V CA -0.756 61.631 62.300 0.146 0.000 0.832 115 V CB 0.982 32.928 31.823 0.205 0.000 0.999 115 V HN 0.895 nan 8.190 nan 0.000 0.439 116 c N 7.921 126.604 118.600 0.138 0.000 2.184 116 c HA 0.402 4.972 4.570 0.000 0.000 0.328 116 c C -1.801 172.345 174.090 0.094 0.000 1.081 116 c CA -1.373 55.023 56.329 0.112 0.000 1.533 116 c CB -0.217 42.342 42.510 0.082 0.000 1.905 116 c HN 0.652 nan 8.230 nan 0.000 0.439 117 P HA 0.235 nan 4.420 nan 0.000 0.276 117 P C -2.571 174.764 177.300 0.059 0.000 1.230 117 P CA -1.136 62.013 63.100 0.081 0.000 0.776 117 P CB 0.045 31.793 31.700 0.079 0.000 0.888 118 P HA -0.001 nan 4.420 nan 0.000 0.264 118 P C -2.161 175.158 177.300 0.031 0.000 1.173 118 P CA -0.162 62.960 63.100 0.037 0.000 0.761 118 P CB -0.925 30.794 31.700 0.033 0.000 0.794 119 P HA 0.115 nan 4.420 nan 0.000 0.293 119 P C -0.232 177.076 177.300 0.015 0.000 1.300 119 P CA -0.251 62.861 63.100 0.020 0.000 0.792 119 P CB 0.802 32.513 31.700 0.017 0.000 0.925 120 T N -0.717 113.845 114.554 0.013 0.000 2.814 120 T HA 0.335 4.685 4.350 0.000 0.000 0.284 120 T C 1.628 176.331 174.700 0.006 0.000 0.998 120 T CA -0.114 61.991 62.100 0.009 0.000 0.935 120 T CB -0.092 68.781 68.868 0.009 0.000 1.167 120 T HN 0.339 nan 8.240 nan 0.000 0.545 121 G N -0.797 108.005 108.800 0.004 0.000 2.882 121 G HA2 0.266 4.226 3.960 0.000 0.000 0.206 121 G HA3 0.266 4.226 3.960 0.000 0.000 0.206 121 G C 1.414 176.316 174.900 0.002 0.000 1.155 121 G CA 0.401 45.501 45.100 0.001 0.000 0.800 121 G HN 1.008 nan 8.290 nan 0.000 0.524 122 A N 0.083 122.906 122.820 0.005 0.000 1.865 122 A HA 0.096 4.416 4.320 0.000 0.000 0.217 122 A C 1.444 179.032 177.584 0.006 0.000 1.191 122 A CA 1.542 53.582 52.037 0.006 0.000 0.623 122 A CB -0.218 18.787 19.000 0.008 0.000 0.826 122 A HN 0.278 nan 8.150 nan 0.000 0.444 123 T N -0.482 114.076 114.554 0.006 0.000 2.812 123 T HA 0.585 4.935 4.350 0.000 0.000 0.282 123 T C -1.055 173.647 174.700 0.003 0.000 0.990 123 T CA -0.378 61.726 62.100 0.007 0.000 0.960 123 T CB 1.720 70.594 68.868 0.011 0.000 0.948 123 T HN 0.089 nan 8.240 nan 0.000 0.438 124 V N 3.643 123.558 119.914 0.001 0.000 2.733 124 V HA 0.736 4.856 4.120 0.000 0.000 0.306 124 V C -0.275 175.817 176.094 -0.003 0.000 1.084 124 V CA -0.828 61.469 62.300 -0.005 0.000 0.905 124 V CB 2.029 33.846 31.823 -0.011 0.000 1.010 124 V HN 0.876 nan 8.190 nan 0.000 0.424 125 V N 2.412 122.322 119.914 -0.007 0.000 3.155 125 V HA 0.869 4.989 4.120 0.000 0.000 0.313 125 V C -0.994 175.093 176.094 -0.012 0.000 1.162 125 V CA -0.747 61.558 62.300 0.008 0.000 1.048 125 V CB 2.089 33.934 31.823 0.037 0.000 1.092 125 V HN 1.013 nan 8.190 nan 0.000 0.447 126 Q N 0.554 120.370 119.800 0.027 0.000 2.359 126 Q HA 0.549 4.889 4.340 0.000 0.000 0.274 126 Q C -1.432 174.674 176.000 0.176 0.000 1.074 126 Q CA -0.747 55.069 55.803 0.021 0.000 0.810 126 Q CB 2.454 31.203 28.738 0.018 0.000 1.342 126 Q HN 0.736 nan 8.270 nan 0.000 0.427 127 F N 1.330 121.272 119.950 -0.014 0.000 2.529 127 F HA 0.059 4.586 4.527 0.000 0.000 0.365 127 F C 1.169 176.956 175.800 -0.022 0.000 1.102 127 F CA -0.552 57.432 58.000 -0.026 0.000 1.271 127 F CB 0.845 39.835 39.000 -0.016 0.000 1.120 127 F HN 0.708 nan 8.300 nan 0.000 0.579 128 E N 2.987 123.264 120.200 0.128 0.000 2.437 128 E HA -0.053 4.297 4.350 0.000 0.000 0.263 128 E C -0.342 176.295 176.600 0.061 0.000 1.030 128 E CA -0.718 55.715 56.400 0.056 0.000 0.934 128 E CB 0.713 30.411 29.700 -0.003 0.000 0.943 128 E HN 0.449 nan 8.360 nan 0.000 0.444 129 Q N 2.723 122.552 119.800 0.049 0.000 2.317 129 Q HA 0.292 4.632 4.340 0.000 0.000 0.229 129 Q C -2.138 173.879 176.000 0.029 0.000 0.984 129 Q CA -1.926 53.903 55.803 0.045 0.000 0.911 129 Q CB 0.229 28.989 28.738 0.037 0.000 1.217 129 Q HN 0.488 nan 8.270 nan 0.000 0.501 130 P HA -0.001 nan 4.420 nan 0.000 0.264 130 P C -0.495 176.821 177.300 0.026 0.000 1.183 130 P CA 0.532 63.649 63.100 0.029 0.000 0.763 130 P CB 0.494 32.214 31.700 0.034 0.000 0.807 131 R N 1.905 122.421 120.500 0.026 0.000 2.549 131 R HA 0.447 4.787 4.340 0.000 0.000 0.267 131 R C 0.504 176.822 176.300 0.031 0.000 1.045 131 R CA -0.921 55.195 56.100 0.027 0.000 1.115 131 R CB 0.698 31.015 30.300 0.027 0.000 1.121 131 R HN 0.392 nan 8.270 nan 0.000 0.543 132 R N 0.707 121.224 120.500 0.028 0.000 2.389 132 R HA 0.128 4.468 4.340 0.000 0.000 0.295 132 R C -0.853 175.466 176.300 0.031 0.000 1.075 132 R CA -0.171 55.945 56.100 0.028 0.000 1.005 132 R CB 0.424 30.737 30.300 0.022 0.000 0.987 132 R HN 0.555 nan 8.270 nan 0.000 0.452 133 c N 6.501 125.121 118.600 0.033 0.000 2.466 133 c HA 0.428 4.998 4.570 0.000 0.000 0.379 133 c C -1.586 172.521 174.090 0.028 0.000 1.251 133 c CA -1.096 55.254 56.329 0.035 0.000 2.263 133 c CB 0.460 42.991 42.510 0.035 0.000 2.511 133 c HN 0.755 nan 8.230 nan 0.000 0.573 134 P HA 0.277 nan 4.420 nan 0.000 0.274 134 P C -0.587 176.722 177.300 0.015 0.000 1.237 134 P CA 0.168 63.280 63.100 0.019 0.000 0.793 134 P CB 0.504 32.215 31.700 0.019 0.000 0.977 135 T N -1.472 113.089 114.554 0.010 0.000 2.829 135 T HA 0.431 4.781 4.350 0.000 0.000 0.280 135 T C 0.235 174.936 174.700 0.001 0.000 0.999 135 T CA -1.093 61.011 62.100 0.007 0.000 0.983 135 T CB 0.931 69.803 68.868 0.007 0.000 0.968 135 T HN 0.259 nan 8.240 nan 0.000 0.446 136 R N 2.914 123.413 120.500 -0.003 0.000 2.537 136 R HA 0.215 4.555 4.340 0.000 0.000 0.281 136 R C -2.130 174.164 176.300 -0.010 0.000 0.988 136 R CA -0.914 55.179 56.100 -0.010 0.000 1.077 136 R CB -0.412 29.880 30.300 -0.013 0.000 0.932 136 R HN 0.528 nan 8.270 nan 0.000 0.409 137 P HA -0.043 nan 4.420 nan 0.000 0.269 137 P C -0.644 176.644 177.300 -0.019 0.000 1.209 137 P CA -0.263 62.831 63.100 -0.012 0.000 0.776 137 P CB 0.535 32.227 31.700 -0.014 0.000 0.876 138 E N 1.901 122.092 120.200 -0.014 0.000 2.498 138 E HA 0.173 4.523 4.350 0.000 0.000 0.252 138 E C 0.539 177.112 176.600 -0.045 0.000 1.025 138 E CA 0.209 56.595 56.400 -0.022 0.000 0.938 138 E CB -0.455 29.237 29.700 -0.013 0.000 0.947 138 E HN 0.550 nan 8.360 nan 0.000 0.478 139 G N 4.212 112.979 108.800 -0.055 0.000 2.474 139 G HA2 -0.044 3.916 3.960 0.000 0.000 0.233 139 G HA3 -0.044 3.916 3.960 0.000 0.000 0.233 139 G C -0.240 174.569 174.900 -0.152 0.000 1.278 139 G CA -0.409 44.638 45.100 -0.089 0.000 0.861 139 G HN 0.655 nan 8.290 nan 0.000 0.567 140 Q N 0.569 120.220 119.800 -0.248 0.000 2.337 140 Q HA 0.075 4.415 4.340 0.000 0.000 0.270 140 Q C -0.038 175.607 176.000 -0.591 0.000 1.002 140 Q CA -0.032 55.514 55.803 -0.428 0.000 0.888 140 Q CB 0.420 28.808 28.738 -0.583 0.000 1.222 140 Q HN 0.559 nan 8.270 nan 0.000 0.400 141 N N 3.527 121.963 118.700 -0.441 0.000 2.419 141 N HA 0.178 4.918 4.740 0.000 0.000 0.264 141 N C -1.371 173.917 175.510 -0.369 0.000 1.031 141 N CA 0.039 52.898 53.050 -0.319 0.000 0.951 141 N CB 0.664 39.081 38.487 -0.118 0.000 1.101 141 N HN 0.484 nan 8.380 nan 0.000 0.488 142 Y N 0.111 120.415 120.300 0.008 0.000 2.352 142 Y HA 0.255 4.805 4.550 0.000 0.000 0.339 142 Y C 0.850 176.764 175.900 0.023 0.000 0.992 142 Y CA -0.834 57.267 58.100 0.003 0.000 1.100 142 Y CB 1.574 40.033 38.460 -0.001 0.000 1.192 142 Y HN 0.225 nan 8.280 nan 0.000 0.458 143 T N 3.789 118.454 114.554 0.184 0.000 2.817 143 T HA 0.165 4.515 4.350 0.000 0.000 0.293 143 T C -0.186 174.615 174.700 0.168 0.000 0.964 143 T CA -0.730 61.459 62.100 0.147 0.000 1.085 143 T CB 0.312 69.258 68.868 0.130 0.000 0.921 143 T HN 0.544 nan 8.240 nan 0.000 0.502 144 E N 1.090 121.361 120.200 0.117 0.000 2.373 144 E HA 0.576 4.926 4.350 0.000 0.000 0.263 144 E C 0.359 176.971 176.600 0.019 0.000 1.073 144 E CA -0.526 55.905 56.400 0.051 0.000 0.894 144 E CB 1.058 30.718 29.700 -0.066 0.000 1.008 144 E HN 0.797 nan 8.360 nan 0.000 0.420 145 G N 1.060 109.845 108.800 -0.025 0.000 2.489 145 G HA2 0.370 4.330 3.960 0.000 0.000 0.291 145 G HA3 0.370 4.330 3.960 0.000 0.000 0.291 145 G C -1.237 173.553 174.900 -0.182 0.000 1.487 145 G CA -0.891 44.005 45.100 -0.340 0.000 0.795 145 G HN 0.367 nan 8.290 nan 0.000 0.513 146 I N 0.503 120.901 120.570 -0.286 0.000 2.488 146 I HA 0.702 4.872 4.170 0.000 0.000 0.299 146 I C 0.540 176.638 176.117 -0.031 0.000 0.984 146 I CA -0.713 60.550 61.300 -0.062 0.000 1.250 146 I CB 1.902 39.898 38.000 -0.008 0.000 1.389 146 I HN 0.775 nan 8.210 nan 0.000 0.488 147 A N 4.821 127.701 122.820 0.100 0.000 2.549 147 A HA 0.785 5.105 4.320 0.000 0.000 0.297 147 A C -1.350 176.265 177.584 0.052 0.000 1.061 147 A CA -0.482 51.641 52.037 0.145 0.000 0.690 147 A CB 1.787 20.947 19.000 0.267 0.000 1.287 147 A HN 0.374 nan 8.150 nan 0.000 0.402 148 V N 1.602 121.554 119.914 0.063 0.000 2.604 148 V HA 0.567 4.687 4.120 0.000 0.000 0.305 148 V C -0.434 175.676 176.094 0.028 0.000 1.043 148 V CA -0.586 61.717 62.300 0.004 0.000 0.888 148 V CB 1.752 33.601 31.823 0.044 0.000 0.995 148 V HN 0.730 nan 8.190 nan 0.000 0.429 149 V N 4.759 124.618 119.914 -0.092 0.000 2.398 149 V HA 0.561 4.681 4.120 0.000 0.000 0.286 149 V C -0.604 175.528 176.094 0.062 0.000 1.026 149 V CA -0.471 61.851 62.300 0.036 0.000 0.868 149 V CB 1.240 33.073 31.823 0.017 0.000 0.982 149 V HN 0.626 nan 8.190 nan 0.000 0.443 150 F N 3.311 123.373 119.950 0.187 0.000 2.523 150 F HA 0.758 5.285 4.527 0.000 0.000 0.329 150 F C 0.320 176.198 175.800 0.129 0.000 1.061 150 F CA -0.721 57.382 58.000 0.171 0.000 0.967 150 F CB 1.942 40.998 39.000 0.094 0.000 1.218 150 F HN 0.487 nan 8.300 nan 0.000 0.480 151 K N 0.188 120.714 120.400 0.211 0.000 2.502 151 K HA 0.351 4.671 4.320 0.000 0.000 0.257 151 K C -1.004 175.561 176.600 -0.060 0.000 0.938 151 K CA -1.006 55.248 56.287 -0.056 0.000 0.819 151 K CB 2.012 34.384 32.500 -0.214 0.000 1.333 151 K HN 0.667 nan 8.250 nan 0.000 0.434 152 E N 2.234 122.341 120.200 -0.155 0.000 3.025 152 E HA -0.222 4.128 4.350 0.000 0.000 0.248 152 E C -0.741 175.817 176.600 -0.070 0.000 0.938 152 E CA 0.303 56.631 56.400 -0.120 0.000 0.958 152 E CB 0.082 29.684 29.700 -0.163 0.000 0.898 152 E HN 0.573 nan 8.360 nan 0.000 0.537 153 N N 4.629 123.320 118.700 -0.014 0.000 2.431 153 N HA 0.012 4.752 4.740 0.000 0.000 0.265 153 N C 0.797 176.317 175.510 0.015 0.000 1.184 153 N CA 0.022 53.089 53.050 0.029 0.000 0.943 153 N CB 0.446 38.987 38.487 0.090 0.000 1.080 153 N HN 0.628 nan 8.380 nan 0.000 0.477 154 I N 1.039 121.615 120.570 0.010 0.000 4.057 154 I HA 0.468 4.638 4.170 0.000 0.000 0.334 154 I C 0.358 176.499 176.117 0.041 0.000 1.308 154 I CA -0.597 60.706 61.300 0.005 0.000 1.125 154 I CB 0.240 38.226 38.000 -0.024 0.000 1.034 154 I HN 0.327 nan 8.210 nan 0.000 0.401 155 A N 3.988 126.849 122.820 0.069 0.000 2.440 155 A HA 0.550 4.870 4.320 0.000 0.000 0.251 155 A C -2.225 175.452 177.584 0.155 0.000 1.089 155 A CA -1.047 51.044 52.037 0.090 0.000 0.779 155 A CB -0.522 18.531 19.000 0.089 0.000 1.022 155 A HN 0.254 nan 8.150 nan 0.000 0.492 156 P HA 0.138 nan 4.420 nan 0.000 0.276 156 P C -0.877 176.615 177.300 0.320 0.000 1.252 156 P CA -0.205 63.035 63.100 0.233 0.000 0.802 156 P CB 0.416 32.199 31.700 0.139 0.000 1.035 157 Y N 1.691 122.213 120.300 0.370 0.000 2.425 157 Y HA 0.244 4.794 4.550 0.000 0.000 0.331 157 Y C 0.059 176.101 175.900 0.236 0.000 1.157 157 Y CA 0.376 58.637 58.100 0.269 0.000 1.372 157 Y CB 0.460 39.048 38.460 0.214 0.000 1.253 157 Y HN 0.222 nan 8.280 nan 0.000 0.536 158 K N 6.769 126.885 120.400 -0.474 0.000 2.259 158 K HA 0.649 4.969 4.320 0.000 0.000 0.249 158 K C -1.602 174.717 176.600 -0.469 0.000 0.942 158 K CA -0.448 55.614 56.287 -0.375 0.000 0.816 158 K CB 1.710 34.086 32.500 -0.206 0.000 1.155 158 K HN 0.604 nan 8.250 nan 0.000 0.428 159 F N -1.798 117.840 119.950 -0.520 0.000 2.807 159 F HA 0.486 5.013 4.527 0.000 0.000 0.316 159 F C -1.419 174.255 175.800 -0.211 0.000 1.162 159 F CA -1.460 56.316 58.000 -0.373 0.000 0.910 159 F CB 0.970 39.726 39.000 -0.406 0.000 1.314 159 F HN 0.027 nan 8.300 nan 0.000 0.454 160 K N 1.594 121.966 120.400 -0.047 0.000 2.118 160 K HA 0.852 5.172 4.320 0.000 0.000 0.267 160 K C -0.673 175.926 176.600 -0.000 0.000 0.991 160 K CA -0.578 55.658 56.287 -0.086 0.000 0.916 160 K CB 1.839 34.348 32.500 0.016 0.000 1.041 160 K HN 0.984 nan 8.250 nan 0.000 0.455 161 A N 1.041 123.829 122.820 -0.054 0.000 2.594 161 A HA 0.685 5.005 4.320 0.000 0.000 0.291 161 A C -1.128 176.482 177.584 0.045 0.000 1.105 161 A CA -0.661 51.422 52.037 0.075 0.000 0.694 161 A CB 1.826 20.812 19.000 -0.024 0.000 1.291 161 A HN 0.527 nan 8.150 nan 0.000 0.410 162 T N 1.730 116.340 114.554 0.094 0.000 2.881 162 T HA 0.541 4.891 4.350 0.000 0.000 0.291 162 T C -0.430 174.183 174.700 -0.145 0.000 0.990 162 T CA -0.153 61.910 62.100 -0.062 0.000 0.976 162 T CB 0.869 69.682 68.868 -0.091 0.000 0.970 162 T HN 0.552 nan 8.240 nan 0.000 0.438 163 M N 3.307 122.779 119.600 -0.214 0.000 2.264 163 M HA 0.489 4.969 4.480 0.000 0.000 0.352 163 M C -1.339 174.831 176.300 -0.217 0.000 1.173 163 M CA -0.591 54.645 55.300 -0.107 0.000 1.075 163 M CB 1.011 33.537 32.600 -0.124 0.000 1.621 163 M HN 0.586 nan 8.290 nan 0.000 0.457 164 Y N 2.964 123.434 120.300 0.284 0.000 2.361 164 Y HA 0.608 5.158 4.550 0.000 0.000 0.337 164 Y C -0.603 175.506 175.900 0.349 0.000 0.965 164 Y CA -0.912 57.332 58.100 0.239 0.000 1.091 164 Y CB 1.027 39.574 38.460 0.146 0.000 1.182 164 Y HN 0.656 nan 8.280 nan 0.000 0.450 165 Y N -0.956 119.461 120.300 0.196 0.000 2.788 165 Y HA 0.766 5.316 4.550 0.000 0.000 0.335 165 Y C -1.999 173.940 175.900 0.065 0.000 1.287 165 Y CA -1.823 56.353 58.100 0.127 0.000 1.068 165 Y CB 1.593 40.130 38.460 0.129 0.000 1.340 165 Y HN 0.330 nan 8.280 nan 0.000 0.449 166 K N 0.967 121.378 120.400 0.019 0.000 2.443 166 K HA 0.276 4.596 4.320 0.000 0.000 0.252 166 K C -2.019 174.564 176.600 -0.028 0.000 0.933 166 K CA -1.002 55.229 56.287 -0.093 0.000 0.792 166 K CB 2.031 34.511 32.500 -0.033 0.000 1.185 166 K HN 0.582 nan 8.250 nan 0.000 0.425 167 D N 2.343 122.697 120.400 -0.076 0.000 2.435 167 D HA 0.093 4.733 4.640 0.000 0.000 0.230 167 D C -0.629 175.659 176.300 -0.020 0.000 1.215 167 D CA -0.048 53.938 54.000 -0.022 0.000 0.947 167 D CB 0.670 41.452 40.800 -0.031 0.000 1.048 167 D HN 0.053 nan 8.370 nan 0.000 0.512 168 V N 3.310 123.205 119.914 -0.033 0.000 2.368 168 V HA 0.263 4.383 4.120 0.000 0.000 0.266 168 V C 0.564 176.599 176.094 -0.099 0.000 1.045 168 V CA -0.160 62.134 62.300 -0.011 0.000 0.899 168 V CB 1.081 32.936 31.823 0.054 0.000 1.006 168 V HN 0.385 nan 8.190 nan 0.000 0.470 169 T N 4.377 118.924 114.554 -0.012 0.000 2.856 169 T HA 0.673 5.023 4.350 0.000 0.000 0.283 169 T C -0.486 174.263 174.700 0.082 0.000 1.008 169 T CA -0.531 61.553 62.100 -0.028 0.000 0.997 169 T CB 2.016 70.895 68.868 0.020 0.000 0.992 169 T HN 0.281 nan 8.240 nan 0.000 0.454 170 V N 3.043 123.013 119.914 0.094 0.000 2.462 170 V HA 0.479 4.599 4.120 0.000 0.000 0.288 170 V C 0.084 176.288 176.094 0.183 0.000 1.020 170 V CA -0.934 61.464 62.300 0.164 0.000 0.857 170 V CB 1.447 33.332 31.823 0.103 0.000 1.013 170 V HN 1.071 nan 8.190 nan 0.000 0.431 171 S N 4.732 120.568 115.700 0.226 0.000 2.617 171 S HA 0.721 5.191 4.470 0.000 0.000 0.283 171 S C -0.663 174.109 174.600 0.286 0.000 1.189 171 S CA -0.750 57.613 58.200 0.273 0.000 1.036 171 S CB 1.843 65.281 63.200 0.396 0.000 1.014 171 S HN 0.651 nan 8.310 nan 0.000 0.522 172 Q N 1.068 121.033 119.800 0.275 0.000 2.365 172 Q HA 0.636 4.976 4.340 0.000 0.000 0.269 172 Q C -1.402 174.684 176.000 0.144 0.000 1.061 172 Q CA -0.946 54.988 55.803 0.218 0.000 0.816 172 Q CB 2.321 31.177 28.738 0.196 0.000 1.325 172 Q HN 0.618 nan 8.270 nan 0.000 0.446 173 V N 1.671 121.588 119.914 0.005 0.000 2.638 173 V HA 0.376 4.496 4.120 0.000 0.000 0.306 173 V C -1.199 174.736 176.094 -0.266 0.000 1.052 173 V CA -0.939 61.203 62.300 -0.263 0.000 0.885 173 V CB 1.730 33.184 31.823 -0.615 0.000 0.999 173 V HN 0.765 nan 8.190 nan 0.000 0.424 174 W N 4.972 126.058 121.300 -0.356 0.000 2.438 174 W HA 0.713 5.373 4.660 -0.000 0.000 0.324 174 W C -1.030 175.246 176.519 -0.405 0.000 1.119 174 W CA -0.963 56.239 57.345 -0.239 0.000 1.221 174 W CB 1.273 30.698 29.460 -0.058 0.000 1.253 174 W HN 0.434 nan 8.180 nan 0.000 0.555 175 F N 5.095 124.537 119.950 -0.847 0.000 2.361 175 F HA 0.459 4.986 4.527 0.000 0.000 0.364 175 F C 1.138 176.154 175.800 -1.307 0.000 1.117 175 F CA -0.571 56.958 58.000 -0.785 0.000 1.071 175 F CB 0.625 39.291 39.000 -0.557 0.000 1.188 175 F HN 0.428 nan 8.300 nan 0.000 0.464 176 G N -0.115 108.133 108.800 -0.921 0.000 2.616 176 G HA2 0.320 4.280 3.960 0.000 0.000 0.268 176 G HA3 0.320 4.280 3.960 0.000 0.000 0.268 176 G C 0.904 175.392 174.900 -0.686 0.000 1.213 176 G CA 0.205 44.594 45.100 -1.185 0.000 0.926 176 G HN 0.891 nan 8.290 nan 0.000 0.523 177 H N -1.195 117.604 119.070 -0.452 0.000 2.352 177 H HA 0.170 4.726 4.556 0.000 0.000 0.299 177 H C 2.274 177.502 175.328 -0.166 0.000 1.097 177 H CA 2.785 58.701 56.048 -0.221 0.000 1.311 177 H CB -0.188 29.520 29.762 -0.089 0.000 1.377 177 H HN 0.906 nan 8.280 nan 0.000 0.504 178 R N -0.961 119.454 120.500 -0.140 0.000 2.642 178 R HA 0.532 4.872 4.340 0.000 0.000 0.435 178 R C -0.027 176.339 176.300 0.109 0.000 1.046 178 R CA 0.441 56.541 56.100 -0.000 0.000 1.103 178 R CB -1.028 29.313 30.300 0.068 0.000 1.425 178 R HN 1.201 nan 8.270 nan 0.000 0.586 179 Y N -4.557 115.767 120.300 0.040 0.000 2.853 179 Y HA 0.824 5.374 4.550 0.000 0.000 0.326 179 Y C -0.844 175.072 175.900 0.026 0.000 1.384 179 Y CA -1.861 56.264 58.100 0.041 0.000 1.077 179 Y CB 0.584 39.080 38.460 0.060 0.000 1.395 179 Y HN -0.111 nan 8.280 nan 0.000 0.451 180 S N 0.528 116.458 115.700 0.382 0.000 2.541 180 S HA 0.540 5.010 4.470 0.000 0.000 0.271 180 S C -1.896 172.786 174.600 0.136 0.000 1.133 180 S CA -0.879 57.388 58.200 0.113 0.000 0.876 180 S CB 2.104 65.212 63.200 -0.155 0.000 1.105 180 S HN 0.726 nan 8.310 nan 0.000 0.470 181 Q N 1.619 121.455 119.800 0.060 0.000 2.285 181 Q HA 0.523 4.863 4.340 0.000 0.000 0.269 181 Q C -1.682 174.285 176.000 -0.054 0.000 1.030 181 Q CA -0.630 55.208 55.803 0.058 0.000 0.788 181 Q CB 0.882 29.753 28.738 0.223 0.000 1.266 181 Q HN 0.565 nan 8.270 nan 0.000 0.438 182 F N 3.877 123.846 119.950 0.031 0.000 2.578 182 F HA 0.038 4.565 4.527 0.000 0.000 0.381 182 F C 1.331 177.156 175.800 0.041 0.000 1.069 182 F CA 0.603 58.617 58.000 0.022 0.000 1.231 182 F CB 0.522 39.534 39.000 0.020 0.000 1.086 182 F HN 0.663 nan 8.300 nan 0.000 0.564 183 M N 1.978 121.708 119.600 0.218 0.000 2.394 183 M HA 0.206 4.686 4.480 0.000 0.000 0.266 183 M C 0.967 177.354 176.300 0.145 0.000 1.098 183 M CA 0.644 56.035 55.300 0.151 0.000 1.149 183 M CB 0.145 32.825 32.600 0.134 0.000 1.369 183 M HN 0.698 nan 8.290 nan 0.000 0.450 184 G N 0.385 109.299 108.800 0.190 0.000 2.673 184 G HA2 0.636 4.596 3.960 0.000 0.000 0.292 184 G HA3 0.636 4.596 3.960 0.000 0.000 0.292 184 G C -1.629 173.362 174.900 0.152 0.000 1.450 184 G CA -0.642 44.543 45.100 0.142 0.000 0.837 184 G HN 0.138 nan 8.290 nan 0.000 0.505 185 I N 1.175 121.799 120.570 0.088 0.000 2.563 185 I HA 0.238 4.408 4.170 0.000 0.000 0.281 185 I C -1.386 174.801 176.117 0.117 0.000 1.110 185 I CA -0.471 60.859 61.300 0.050 0.000 1.073 185 I CB 1.878 39.797 38.000 -0.135 0.000 1.215 185 I HN 0.417 nan 8.210 nan 0.000 0.460 186 F N 6.608 126.558 119.950 0.000 0.000 2.391 186 F HA 0.509 5.036 4.527 0.000 0.000 0.359 186 F C -0.015 175.798 175.800 0.021 0.000 1.122 186 F CA -0.328 57.675 58.000 0.004 0.000 1.120 186 F CB 0.759 39.756 39.000 -0.005 0.000 1.142 186 F HN 0.382 nan 8.300 nan 0.000 0.483 187 E N 4.659 124.610 120.200 -0.415 0.000 2.183 187 E HA 0.360 4.710 4.350 0.000 0.000 0.271 187 E C -1.322 174.933 176.600 -0.576 0.000 0.919 187 E CA -0.873 55.260 56.400 -0.445 0.000 0.781 187 E CB 2.000 31.598 29.700 -0.170 0.000 1.140 187 E HN 0.520 nan 8.360 nan 0.000 0.402 188 D N 0.958 121.075 120.400 -0.471 0.000 2.626 188 D HA 0.369 5.009 4.640 0.000 0.000 0.278 188 D C -1.263 174.963 176.300 -0.123 0.000 1.211 188 D CA -0.738 53.095 54.000 -0.278 0.000 0.903 188 D CB 1.690 42.318 40.800 -0.287 0.000 1.408 188 D HN 0.219 nan 8.370 nan 0.000 0.454 189 R N 0.275 120.722 120.500 -0.088 0.000 2.439 189 R HA 0.774 5.114 4.340 0.000 0.000 0.310 189 R C -0.874 175.283 176.300 -0.237 0.000 0.955 189 R CA -0.736 55.347 56.100 -0.029 0.000 0.853 189 R CB 1.979 32.305 30.300 0.043 0.000 1.171 189 R HN 0.321 nan 8.270 nan 0.000 0.449 190 A N 4.667 127.343 122.820 -0.240 0.000 2.288 190 A HA 0.535 4.855 4.320 0.000 0.000 0.320 190 A C -2.376 175.139 177.584 -0.115 0.000 1.217 190 A CA -1.959 49.775 52.037 -0.504 0.000 0.840 190 A CB 0.746 19.509 19.000 -0.396 0.000 1.179 190 A HN 0.398 nan 8.150 nan 0.000 0.504 191 P HA 0.202 nan 4.420 nan 0.000 0.273 191 P C -0.151 177.206 177.300 0.095 0.000 1.428 191 P CA -0.096 63.038 63.100 0.056 0.000 0.995 191 P CB 0.396 32.102 31.700 0.011 0.000 1.286 192 V N 6.896 126.889 119.914 0.132 0.000 2.790 192 V HA -0.059 4.061 4.120 0.000 0.000 0.304 192 V C -1.461 174.685 176.094 0.086 0.000 1.142 192 V CA -0.199 62.161 62.300 0.100 0.000 1.282 192 V CB -0.558 31.331 31.823 0.110 0.000 0.877 192 V HN 0.506 nan 8.190 nan 0.000 0.504 193 P HA 0.231 nan 4.420 nan 0.000 0.281 193 P C 0.651 177.997 177.300 0.078 0.000 1.264 193 P CA -0.710 62.445 63.100 0.093 0.000 0.824 193 P CB 0.820 32.580 31.700 0.100 0.000 1.092 194 F N 2.299 122.236 119.950 -0.022 0.000 2.048 194 F HA -0.366 4.161 4.527 0.000 0.000 0.296 194 F C 2.005 177.774 175.800 -0.051 0.000 1.109 194 F CA 2.845 60.816 58.000 -0.048 0.000 1.214 194 F CB -0.605 38.370 39.000 -0.041 0.000 0.963 194 F HN 0.422 nan 8.300 nan 0.000 0.491 195 E N 0.070 120.390 120.200 0.200 0.000 2.110 195 E HA -0.269 4.081 4.350 0.000 0.000 0.193 195 E C 1.981 178.545 176.600 -0.059 0.000 0.988 195 E CA 1.724 58.177 56.400 0.088 0.000 0.804 195 E CB -0.936 28.857 29.700 0.155 0.000 0.745 195 E HN 0.740 nan 8.360 nan 0.000 0.458 196 E N 0.704 120.871 120.200 -0.055 0.000 2.152 196 E HA -0.112 4.238 4.350 0.000 0.000 0.192 196 E C 1.860 178.363 176.600 -0.162 0.000 0.983 196 E CA 1.066 57.420 56.400 -0.077 0.000 0.818 196 E CB 0.161 29.839 29.700 -0.038 0.000 0.758 196 E HN 0.238 nan 8.360 nan 0.000 0.467 197 V N 0.712 120.465 119.914 -0.269 0.000 2.515 197 V HA -0.207 3.913 4.120 0.000 0.000 0.250 197 V C 2.018 177.904 176.094 -0.347 0.000 1.058 197 V CA 1.122 63.157 62.300 -0.443 0.000 1.064 197 V CB -0.228 31.191 31.823 -0.673 0.000 0.675 197 V HN 0.275 nan 8.190 nan 0.000 0.461 198 I N -0.280 120.085 120.570 -0.341 0.000 2.494 198 I HA -0.037 4.133 4.170 0.000 0.000 0.250 198 I C 1.899 177.938 176.117 -0.131 0.000 1.112 198 I CA 1.310 62.471 61.300 -0.231 0.000 1.438 198 I CB -0.273 37.518 38.000 -0.348 0.000 1.111 198 I HN 0.197 nan 8.210 nan 0.000 0.431 199 D N -0.087 120.244 120.400 -0.115 0.000 2.305 199 D HA -0.005 4.635 4.640 0.000 0.000 0.206 199 D C 1.970 178.233 176.300 -0.061 0.000 0.974 199 D CA 0.696 54.657 54.000 -0.065 0.000 0.871 199 D CB 0.329 41.109 40.800 -0.034 0.000 0.947 199 D HN 0.161 nan 8.370 nan 0.000 0.516 200 K N 0.072 120.428 120.400 -0.074 0.000 2.267 200 K HA 0.250 4.570 4.320 0.000 0.000 0.213 200 K C 2.256 178.815 176.600 -0.069 0.000 1.060 200 K CA -0.006 56.245 56.287 -0.060 0.000 0.935 200 K CB -0.192 32.280 32.500 -0.047 0.000 1.096 200 K HN 0.079 nan 8.250 nan 0.000 0.468 201 I N 1.979 122.495 120.570 -0.090 0.000 2.086 201 I HA -0.248 3.922 4.170 0.000 0.000 0.233 201 I C 2.278 178.350 176.117 -0.076 0.000 1.060 201 I CA 1.467 62.719 61.300 -0.079 0.000 1.326 201 I CB -0.537 37.414 38.000 -0.083 0.000 1.067 201 I HN 0.154 nan 8.210 nan 0.000 0.398 202 N N 1.227 119.883 118.700 -0.074 0.000 2.137 202 N HA -0.192 4.548 4.740 0.000 0.000 0.190 202 N C 1.659 177.128 175.510 -0.068 0.000 1.017 202 N CA 1.897 54.930 53.050 -0.029 0.000 0.859 202 N CB -0.101 38.426 38.487 0.065 0.000 1.002 202 N HN 0.397 nan 8.380 nan 0.000 0.428 203 A N -0.222 122.551 122.820 -0.078 0.000 1.872 203 A HA -0.019 4.301 4.320 0.000 0.000 0.214 203 A C 1.824 179.364 177.584 -0.072 0.000 1.187 203 A CA 1.603 53.592 52.037 -0.080 0.000 0.614 203 A CB -0.091 18.867 19.000 -0.071 0.000 0.826 203 A HN 0.459 nan 8.150 nan 0.000 0.442 204 K N -3.035 117.325 120.400 -0.066 0.000 2.491 204 K HA 0.358 4.678 4.320 0.000 0.000 0.211 204 K C 0.737 177.298 176.600 -0.065 0.000 1.210 204 K CA 0.463 56.715 56.287 -0.059 0.000 1.003 204 K CB 0.899 33.372 32.500 -0.046 0.000 1.009 204 K HN 0.670 nan 8.250 nan 0.000 0.577 205 G N 2.010 110.763 108.800 -0.078 0.000 2.132 205 G HA2 -0.225 3.735 3.960 0.000 0.000 0.228 205 G HA3 -0.225 3.735 3.960 0.000 0.000 0.228 205 G C 0.018 174.872 174.900 -0.076 0.000 1.000 205 G CA 0.164 45.204 45.100 -0.100 0.000 0.693 205 G HN 0.263 nan 8.290 nan 0.000 0.515 206 V N -3.454 116.428 119.914 -0.055 0.000 3.074 206 V HA 0.916 5.036 4.120 0.000 0.000 0.314 206 V C 0.383 176.460 176.094 -0.028 0.000 1.117 206 V CA -0.790 61.489 62.300 -0.036 0.000 1.014 206 V CB 1.787 33.595 31.823 -0.026 0.000 1.057 206 V HN 0.964 nan 8.190 nan 0.000 0.438 207 c N 1.891 120.480 118.600 -0.017 0.000 2.848 207 c HA 0.724 5.294 4.570 0.000 0.000 0.317 207 c C 0.423 174.510 174.090 -0.005 0.000 1.260 207 c CA -0.601 55.721 56.329 -0.012 0.000 1.656 207 c CB 1.980 44.486 42.510 -0.005 0.000 2.174 207 c HN 1.138 nan 8.230 nan 0.000 0.479 208 R N 1.073 121.573 120.500 -0.001 0.000 2.583 208 R HA 0.324 4.664 4.340 0.000 0.000 0.268 208 R C 0.736 177.043 176.300 0.011 0.000 1.101 208 R CA 0.160 56.268 56.100 0.012 0.000 1.180 208 R CB 0.543 30.851 30.300 0.013 0.000 1.128 208 R HN 0.855 nan 8.270 nan 0.000 0.568 209 S N -1.467 114.257 115.700 0.041 0.000 2.622 209 S HA 0.034 4.504 4.470 0.000 0.000 0.236 209 S C 0.155 174.793 174.600 0.065 0.000 0.956 209 S CA -0.537 57.699 58.200 0.061 0.000 0.971 209 S CB -0.219 63.075 63.200 0.155 0.000 0.782 209 S HN 0.694 nan 8.310 nan 0.000 0.468 210 T N -1.281 113.271 114.554 -0.003 0.000 2.916 210 T HA 0.794 5.144 4.350 0.000 0.000 0.298 210 T C -0.634 174.026 174.700 -0.066 0.000 1.031 210 T CA -0.683 61.357 62.100 -0.101 0.000 0.993 210 T CB 1.616 70.338 68.868 -0.243 0.000 1.045 210 T HN 0.352 nan 8.240 nan 0.000 0.454 211 A N 2.575 125.371 122.820 -0.040 0.000 2.312 211 A HA 0.832 5.152 4.320 0.000 0.000 0.326 211 A C -0.074 177.554 177.584 0.073 0.000 1.172 211 A CA -0.905 51.187 52.037 0.093 0.000 0.821 211 A CB 1.072 20.209 19.000 0.227 0.000 1.166 211 A HN 0.955 nan 8.150 nan 0.000 0.493 212 K N 1.971 122.468 120.400 0.161 0.000 2.716 212 K HA 0.504 4.824 4.320 0.000 0.000 0.249 212 K C -1.799 174.899 176.600 0.164 0.000 1.004 212 K CA -0.373 55.949 56.287 0.058 0.000 0.968 212 K CB 0.765 33.260 32.500 -0.008 0.000 1.214 212 K HN 0.834 nan 8.250 nan 0.000 0.476 213 Y N -0.429 119.888 120.300 0.029 0.000 2.689 213 Y HA 0.629 5.179 4.550 0.000 0.000 0.333 213 Y C -1.445 174.484 175.900 0.048 0.000 1.190 213 Y CA -1.429 56.697 58.100 0.042 0.000 1.063 213 Y CB 0.864 39.355 38.460 0.052 0.000 1.294 213 Y HN -0.003 nan 8.280 nan 0.000 0.466 214 V N 2.135 122.172 119.914 0.204 0.000 2.567 214 V HA 0.796 4.916 4.120 0.000 0.000 0.289 214 V C -0.970 175.268 176.094 0.240 0.000 1.049 214 V CA -0.371 61.998 62.300 0.115 0.000 0.969 214 V CB 1.286 33.169 31.823 0.100 0.000 0.995 214 V HN 0.912 nan 8.190 nan 0.000 0.471 215 R N 4.732 125.310 120.500 0.131 0.000 2.518 215 R HA 0.422 4.762 4.340 0.000 0.000 0.287 215 R C -0.300 176.059 176.300 0.097 0.000 1.135 215 R CA -0.027 56.188 56.100 0.191 0.000 0.967 215 R CB 0.267 30.756 30.300 0.315 0.000 1.212 215 R HN 0.847 nan 8.270 nan 0.000 0.422 216 N N 3.292 122.044 118.700 0.087 0.000 2.740 216 N HA -0.265 4.475 4.740 0.000 0.000 0.248 216 N C -1.081 174.448 175.510 0.032 0.000 1.062 216 N CA 1.476 54.556 53.050 0.050 0.000 0.704 216 N CB -1.595 36.913 38.487 0.036 0.000 0.968 216 N HN 0.999 nan 8.380 nan 0.000 0.547 217 N N -2.532 116.191 118.700 0.038 0.000 2.776 217 N HA -0.233 4.507 4.740 0.000 0.000 0.250 217 N C -0.787 174.733 175.510 0.015 0.000 1.112 217 N CA 1.004 54.070 53.050 0.026 0.000 0.733 217 N CB -0.806 37.693 38.487 0.019 0.000 1.097 217 N HN 0.605 nan 8.380 nan 0.000 0.558 218 L N -1.423 119.805 121.223 0.009 0.000 2.445 218 L HA 0.641 4.981 4.340 0.000 0.000 0.262 218 L C -0.484 176.361 176.870 -0.042 0.000 0.974 218 L CA -0.435 54.398 54.840 -0.011 0.000 0.822 218 L CB 1.621 43.671 42.059 -0.015 0.000 1.339 218 L HN 0.049 nan 8.230 nan 0.000 0.409 219 E N 2.700 122.873 120.200 -0.045 0.000 1.861 219 E HA 0.371 4.721 4.350 0.000 0.000 0.263 219 E C 0.035 176.556 176.600 -0.131 0.000 1.137 219 E CA 0.020 56.370 56.400 -0.083 0.000 0.944 219 E CB 0.526 30.206 29.700 -0.034 0.000 1.092 219 E HN 0.625 nan 8.360 nan 0.000 0.420 220 T N 0.960 115.359 114.554 -0.259 0.000 2.788 220 T HA 0.537 4.887 4.350 0.000 0.000 0.287 220 T C 0.004 174.530 174.700 -0.289 0.000 1.007 220 T CA 0.361 62.312 62.100 -0.249 0.000 1.005 220 T CB 0.747 69.450 68.868 -0.276 0.000 1.012 220 T HN 0.420 nan 8.240 nan 0.000 0.530 221 T N 1.842 116.320 114.554 -0.126 0.000 2.993 221 T HA 0.663 5.013 4.350 0.000 0.000 0.312 221 T C -1.348 173.343 174.700 -0.015 0.000 1.115 221 T CA -0.598 61.438 62.100 -0.106 0.000 1.027 221 T CB 1.466 70.283 68.868 -0.085 0.000 1.116 221 T HN 0.826 nan 8.240 nan 0.000 0.464 222 A N 2.589 125.365 122.820 -0.073 0.000 2.330 222 A HA 0.861 5.181 4.320 0.000 0.000 0.313 222 A C -1.275 176.243 177.584 -0.109 0.000 1.124 222 A CA -0.613 51.461 52.037 0.061 0.000 0.774 222 A CB 0.480 19.574 19.000 0.157 0.000 1.198 222 A HN 0.665 nan 8.150 nan 0.000 0.465 223 F N 1.245 121.303 119.950 0.181 0.000 2.436 223 F HA 0.342 4.869 4.527 0.000 0.000 0.340 223 F C 0.696 176.606 175.800 0.184 0.000 1.113 223 F CA -0.366 57.723 58.000 0.148 0.000 1.022 223 F CB 1.255 40.306 39.000 0.084 0.000 1.128 223 F HN 0.716 nan 8.300 nan 0.000 0.466 224 H N 4.085 123.274 119.070 0.197 0.000 3.091 224 H HA 0.176 4.732 4.556 0.000 0.000 0.289 224 H C 0.752 176.118 175.328 0.063 0.000 0.995 224 H CA 0.128 56.253 56.048 0.127 0.000 1.461 224 H CB 0.193 30.004 29.762 0.083 0.000 1.510 224 H HN 0.671 nan 8.280 nan 0.000 0.546 225 R N 2.780 123.155 120.500 -0.208 0.000 4.016 225 R HA -0.228 4.112 4.340 0.000 0.000 0.385 225 R C -0.446 175.687 176.300 -0.279 0.000 1.158 225 R CA 0.930 56.703 56.100 -0.545 0.000 1.117 225 R CB -1.471 28.274 30.300 -0.926 0.000 1.635 225 R HN 0.912 nan 8.270 nan 0.000 0.560 226 D N -0.555 119.861 120.400 0.027 0.000 2.800 226 D HA -0.163 4.477 4.640 0.000 0.000 0.232 226 D C -0.131 176.068 176.300 -0.168 0.000 1.137 226 D CA 1.687 55.699 54.000 0.020 0.000 0.718 226 D CB -0.585 40.186 40.800 -0.047 0.000 1.084 226 D HN 0.385 nan 8.370 nan 0.000 0.432 227 D N -1.165 119.186 120.400 -0.082 0.000 2.487 227 D HA 0.288 4.928 4.640 0.000 0.000 0.262 227 D C 0.359 176.644 176.300 -0.026 0.000 1.130 227 D CA -0.398 53.555 54.000 -0.079 0.000 1.038 227 D CB 0.700 41.488 40.800 -0.020 0.000 1.142 227 D HN 0.034 nan 8.370 nan 0.000 0.575 228 H N 0.182 119.241 119.070 -0.019 0.000 2.852 228 H HA 0.077 4.633 4.556 0.000 0.000 0.362 228 H C 0.343 175.766 175.328 0.157 0.000 1.122 228 H CA 0.278 56.356 56.048 0.049 0.000 1.419 228 H CB 0.303 30.074 29.762 0.014 0.000 1.401 228 H HN 0.243 nan 8.280 nan 0.000 0.609 229 E N 0.967 121.370 120.200 0.339 0.000 2.534 229 E HA -0.038 4.312 4.350 0.000 0.000 0.264 229 E C -0.724 175.979 176.600 0.172 0.000 0.981 229 E CA 0.461 57.011 56.400 0.250 0.000 0.948 229 E CB 0.384 30.203 29.700 0.198 0.000 0.934 229 E HN 0.563 nan 8.360 nan 0.000 0.459 230 T N 4.568 119.202 114.554 0.134 0.000 3.237 230 T HA 0.136 4.486 4.350 0.000 0.000 0.319 230 T C -1.683 173.058 174.700 0.069 0.000 1.037 230 T CA -0.838 61.319 62.100 0.095 0.000 1.048 230 T CB 1.077 70.004 68.868 0.099 0.000 1.081 230 T HN 0.414 nan 8.240 nan 0.000 0.455 231 D N 3.288 123.715 120.400 0.045 0.000 2.389 231 D HA 0.419 5.059 4.640 0.000 0.000 0.247 231 D C -0.014 176.298 176.300 0.020 0.000 1.128 231 D CA 0.367 54.382 54.000 0.025 0.000 0.884 231 D CB 0.606 41.415 40.800 0.014 0.000 1.194 231 D HN 0.386 nan 8.370 nan 0.000 0.441 232 M N 1.562 121.167 119.600 0.008 0.000 2.263 232 M HA 0.228 4.708 4.480 0.000 0.000 0.295 232 M C -0.170 176.122 176.300 -0.014 0.000 1.028 232 M CA -0.960 54.341 55.300 0.000 0.000 0.921 232 M CB 2.405 35.003 32.600 -0.002 0.000 1.601 232 M HN 0.026 nan 8.290 nan 0.000 0.440 233 E N 2.954 123.145 120.200 -0.015 0.000 2.392 233 E HA 0.239 4.589 4.350 0.000 0.000 0.264 233 E C -0.910 175.677 176.600 -0.021 0.000 1.024 233 E CA 0.082 56.469 56.400 -0.021 0.000 0.903 233 E CB 0.980 30.670 29.700 -0.016 0.000 0.963 233 E HN 0.570 nan 8.360 nan 0.000 0.432 234 L N 4.302 125.516 121.223 -0.015 0.000 2.290 234 L HA 0.168 4.508 4.340 0.000 0.000 0.284 234 L C 0.795 177.727 176.870 0.103 0.000 1.078 234 L CA -0.335 54.525 54.840 0.033 0.000 0.815 234 L CB 0.376 42.459 42.059 0.041 0.000 1.162 234 L HN 0.266 nan 8.230 nan 0.000 0.435 235 K N 3.416 123.885 120.400 0.115 0.000 2.156 235 K HA 0.622 4.942 4.320 0.000 0.000 0.250 235 K C -2.930 173.896 176.600 0.376 0.000 0.955 235 K CA -2.260 54.145 56.287 0.197 0.000 0.855 235 K CB 1.537 34.061 32.500 0.039 0.000 1.101 235 K HN 0.067 nan 8.250 nan 0.000 0.434 236 P HA -0.076 nan 4.420 nan 0.000 0.266 236 P C -0.469 176.869 177.300 0.063 0.000 1.193 236 P CA 0.292 63.389 63.100 -0.005 0.000 0.770 236 P CB 0.413 32.097 31.700 -0.027 0.000 0.836 237 A N 3.533 126.284 122.820 -0.115 0.000 2.387 237 A HA 0.086 4.406 4.320 0.000 0.000 0.251 237 A C 0.756 178.279 177.584 -0.102 0.000 1.113 237 A CA -0.057 51.886 52.037 -0.157 0.000 0.794 237 A CB -0.286 18.533 19.000 -0.303 0.000 1.069 237 A HN 0.545 nan 8.150 nan 0.000 0.506 238 N N -0.455 118.178 118.700 -0.111 0.000 2.235 238 N HA 0.353 5.093 4.740 0.000 0.000 0.231 238 N C 0.318 175.776 175.510 -0.088 0.000 1.330 238 N CA 0.734 53.746 53.050 -0.064 0.000 0.898 238 N CB 0.108 38.562 38.487 -0.055 0.000 1.151 238 N HN 0.819 nan 8.380 nan 0.000 0.472 239 A N -0.509 122.273 122.820 -0.063 0.000 2.322 239 A HA 0.660 4.980 4.320 0.000 0.000 0.269 239 A C -0.342 177.198 177.584 -0.073 0.000 1.094 239 A CA -0.098 51.898 52.037 -0.068 0.000 0.807 239 A CB 0.226 19.198 19.000 -0.047 0.000 1.047 239 A HN 0.736 nan 8.150 nan 0.000 0.487 240 A N 0.934 123.708 122.820 -0.077 0.000 2.547 240 A HA 0.572 4.893 4.320 0.000 0.000 0.300 240 A C -0.151 177.390 177.584 -0.071 0.000 1.061 240 A CA 0.019 52.011 52.037 -0.074 0.000 0.808 240 A CB -0.076 18.872 19.000 -0.087 0.000 1.304 240 A HN 1.923 nan 8.150 nan 0.000 0.393 241 T N 0.485 115.004 114.554 -0.059 0.000 2.888 241 T HA 0.504 4.854 4.350 0.000 0.000 0.301 241 T C 0.374 175.037 174.700 -0.061 0.000 1.001 241 T CA 0.201 62.269 62.100 -0.054 0.000 1.147 241 T CB -0.042 68.799 68.868 -0.044 0.000 0.931 241 T HN 1.147 nan 8.240 nan 0.000 0.541 242 R N 0.081 120.543 120.500 -0.062 0.000 2.958 242 R HA -0.108 4.232 4.340 0.000 0.000 0.277 242 R C -0.333 175.917 176.300 -0.082 0.000 0.940 242 R CA 0.723 56.782 56.100 -0.067 0.000 0.664 242 R CB -2.559 27.704 30.300 -0.062 0.000 1.551 242 R HN 1.141 nan 8.270 nan 0.000 0.455 243 T N -2.865 111.633 114.554 -0.092 0.000 2.956 243 T HA 0.530 4.880 4.350 0.000 0.000 0.312 243 T C 0.215 174.841 174.700 -0.124 0.000 1.151 243 T CA -0.858 61.174 62.100 -0.113 0.000 1.024 243 T CB 2.172 70.965 68.868 -0.126 0.000 1.140 243 T HN 0.109 nan 8.240 nan 0.000 0.473 244 S N 1.070 116.690 115.700 -0.134 0.000 2.606 244 S HA 0.350 4.820 4.470 0.000 0.000 0.257 244 S C 0.827 175.308 174.600 -0.198 0.000 1.327 244 S CA -0.795 57.321 58.200 -0.140 0.000 0.984 244 S CB 0.164 63.285 63.200 -0.133 0.000 0.941 244 S HN 0.597 nan 8.310 nan 0.000 0.576 245 R N -0.067 120.297 120.500 -0.228 0.000 2.707 245 R HA 0.544 4.884 4.340 0.000 0.000 0.270 245 R C 0.345 176.283 176.300 -0.602 0.000 1.083 245 R CA -0.174 55.649 56.100 -0.462 0.000 1.182 245 R CB 0.325 30.345 30.300 -0.467 0.000 1.084 245 R HN 0.709 nan 8.270 nan 0.000 0.528 246 G N 0.315 108.499 108.800 -1.027 0.000 2.703 246 G HA2 0.493 4.453 3.960 0.000 0.000 0.294 246 G HA3 0.493 4.453 3.960 0.000 0.000 0.294 246 G C -1.912 172.480 174.900 -0.846 0.000 1.451 246 G CA -0.637 44.053 45.100 -0.684 0.000 0.869 246 G HN 0.407 nan 8.290 nan 0.000 0.516 247 W N -0.106 121.205 121.300 0.017 0.000 3.083 247 W HA 0.603 5.263 4.660 0.000 0.000 0.333 247 W C -0.254 176.356 176.519 0.152 0.000 1.217 247 W CA -0.666 56.736 57.345 0.095 0.000 1.170 247 W CB 2.308 31.802 29.460 0.057 0.000 1.437 247 W HN 1.032 nan 8.180 nan 0.000 0.557 248 H N -3.024 116.146 119.070 0.166 0.000 3.014 248 H HA 0.404 4.960 4.556 0.000 0.000 0.337 248 H C 0.208 175.562 175.328 0.043 0.000 1.320 248 H CA -0.171 55.907 56.048 0.049 0.000 1.128 248 H CB 1.911 31.664 29.762 -0.015 0.000 1.862 248 H HN 0.200 nan 8.280 nan 0.000 0.536 249 T N -1.753 112.748 114.554 -0.089 0.000 3.042 249 T HA 0.160 4.510 4.350 0.000 0.000 0.245 249 T C 0.643 175.231 174.700 -0.187 0.000 1.029 249 T CA 0.696 62.706 62.100 -0.149 0.000 1.120 249 T CB 0.032 68.845 68.868 -0.092 0.000 0.917 249 T HN 0.491 nan 8.240 nan 0.000 0.467 250 T N 1.509 115.986 114.554 -0.127 0.000 2.925 250 T HA 0.454 4.804 4.350 0.000 0.000 0.285 250 T C -0.096 174.657 174.700 0.088 0.000 1.021 250 T CA -0.657 61.418 62.100 -0.042 0.000 1.042 250 T CB 1.841 70.642 68.868 -0.111 0.000 1.037 250 T HN 0.097 nan 8.240 nan 0.000 0.481 251 D N 0.966 121.433 120.400 0.112 0.000 2.766 251 D HA 0.253 4.893 4.640 0.000 0.000 0.284 251 D C 0.583 176.970 176.300 0.144 0.000 1.050 251 D CA 0.406 54.504 54.000 0.164 0.000 0.945 251 D CB 0.532 41.408 40.800 0.127 0.000 1.272 251 D HN 0.299 nan 8.370 nan 0.000 0.482 252 L N 0.726 122.040 121.223 0.151 0.000 2.397 252 L HA 0.357 4.697 4.340 0.000 0.000 0.266 252 L C 0.276 177.261 176.870 0.193 0.000 1.040 252 L CA -0.738 54.194 54.840 0.153 0.000 0.800 252 L CB 0.876 43.023 42.059 0.147 0.000 1.324 252 L HN -0.385 nan 8.230 nan 0.000 0.469 253 K N 0.675 121.185 120.400 0.184 0.000 2.206 253 K HA 0.283 4.603 4.320 0.000 0.000 0.264 253 K C -1.261 175.487 176.600 0.247 0.000 0.967 253 K CA -0.552 55.863 56.287 0.214 0.000 0.844 253 K CB 1.587 34.184 32.500 0.163 0.000 1.099 253 K HN 0.356 nan 8.250 nan 0.000 0.441 254 Y N 3.531 123.931 120.300 0.167 0.000 2.404 254 Y HA 0.209 4.759 4.550 -0.000 0.000 0.344 254 Y C -0.525 175.475 175.900 0.168 0.000 0.995 254 Y CA -0.219 57.960 58.100 0.132 0.000 1.201 254 Y CB 0.520 39.019 38.460 0.065 0.000 1.151 254 Y HN 0.447 nan 8.280 nan 0.000 0.517 255 N N 7.813 126.225 118.700 -0.479 0.000 2.370 255 N HA 0.389 5.129 4.740 0.000 0.000 0.303 255 N C -2.876 172.271 175.510 -0.604 0.000 1.103 255 N CA -1.836 51.007 53.050 -0.346 0.000 0.848 255 N CB 1.429 39.864 38.487 -0.087 0.000 1.235 255 N HN 0.437 nan 8.380 nan 0.000 0.496 256 P HA 0.120 nan 4.420 nan 0.000 0.271 256 P C -0.310 177.045 177.300 0.091 0.000 1.216 256 P CA 0.016 63.081 63.100 -0.058 0.000 0.776 256 P CB 0.665 32.442 31.700 0.129 0.000 0.881 257 S N 2.040 117.754 115.700 0.023 0.000 2.655 257 S HA 0.192 4.662 4.470 0.000 0.000 0.265 257 S C 1.668 176.053 174.600 -0.358 0.000 1.240 257 S CA -0.764 57.395 58.200 -0.069 0.000 0.986 257 S CB 0.466 63.608 63.200 -0.097 0.000 0.985 257 S HN 0.369 nan 8.310 nan 0.000 0.562 258 R N -0.030 119.901 120.500 -0.948 0.000 2.200 258 R HA -0.040 4.300 4.340 0.000 0.000 0.234 258 R C 0.072 176.050 176.300 -0.537 0.000 1.127 258 R CA 0.701 55.999 56.100 -1.338 0.000 0.989 258 R CB -0.754 28.875 30.300 -1.118 0.000 0.869 258 R HN 0.303 nan 8.270 nan 0.000 0.459 259 V N 2.694 122.416 119.914 -0.321 0.000 2.509 259 V HA 0.154 4.274 4.120 0.000 0.000 0.284 259 V C 0.391 176.432 176.094 -0.088 0.000 1.047 259 V CA -0.511 61.688 62.300 -0.168 0.000 0.952 259 V CB 1.330 33.080 31.823 -0.123 0.000 0.988 259 V HN 0.230 nan 8.190 nan 0.000 0.469 264 R N 1.839 122.216 120.500 -0.206 0.000 2.356 264 R HA 0.271 4.611 4.340 0.000 0.000 0.234 264 R C -0.007 176.344 176.300 0.086 0.000 0.929 264 R CA 0.800 56.901 56.100 0.001 0.000 1.084 264 R CB -0.756 29.588 30.300 0.074 0.000 1.105 264 R HN 0.496 nan 8.270 nan 0.000 0.515 265 Y N -4.499 115.860 120.300 0.099 0.000 2.602 265 Y HA 0.817 5.367 4.550 0.000 0.000 0.342 265 Y C 0.393 176.415 175.900 0.202 0.000 1.029 265 Y CA -1.907 56.263 58.100 0.116 0.000 1.080 265 Y CB 1.382 39.884 38.460 0.070 0.000 1.284 265 Y HN -0.005 nan 8.280 nan 0.000 0.485 266 G N 0.597 109.692 108.800 0.492 0.000 2.415 266 G HA2 0.542 4.502 3.960 0.000 0.000 0.327 266 G HA3 0.542 4.502 3.960 0.000 0.000 0.327 266 G C -1.406 173.805 174.900 0.517 0.000 1.182 266 G CA -0.854 44.526 45.100 0.466 0.000 0.924 266 G HN 0.658 nan 8.290 nan 0.000 0.470 267 T N 1.431 116.338 114.554 0.589 0.000 2.829 267 T HA 0.678 5.028 4.350 0.000 0.000 0.280 267 T C -0.166 174.793 174.700 0.431 0.000 0.999 267 T CA -0.258 62.120 62.100 0.463 0.000 0.983 267 T CB 1.695 70.854 68.868 0.486 0.000 0.968 267 T HN 0.481 nan 8.240 nan 0.000 0.446 268 T N 1.967 116.738 114.554 0.361 0.000 2.893 268 T HA 0.685 5.035 4.350 0.000 0.000 0.291 268 T C -0.869 174.011 174.700 0.300 0.000 1.028 268 T CA -0.646 61.699 62.100 0.409 0.000 0.995 268 T CB 1.634 70.692 68.868 0.316 0.000 1.051 268 T HN 0.360 nan 8.240 nan 0.000 0.470 269 V N 3.093 123.161 119.914 0.255 0.000 2.567 269 V HA 0.508 4.628 4.120 0.000 0.000 0.298 269 V C -0.886 175.068 176.094 -0.233 0.000 1.047 269 V CA -0.888 61.410 62.300 -0.003 0.000 0.880 269 V CB 1.776 33.623 31.823 0.040 0.000 1.009 269 V HN 0.839 nan 8.190 nan 0.000 0.429 270 N N 3.046 121.673 118.700 -0.122 0.000 2.518 270 N HA 0.278 5.018 4.740 0.000 0.000 0.254 270 N C -0.628 174.813 175.510 -0.115 0.000 0.979 270 N CA -0.223 52.756 53.050 -0.118 0.000 0.930 270 N CB 1.384 39.851 38.487 -0.034 0.000 1.152 270 N HN 0.723 nan 8.380 nan 0.000 0.505 271 c N 5.963 124.501 118.600 -0.103 0.000 2.627 271 c HA 0.439 5.009 4.570 0.000 0.000 0.404 271 c C 0.212 174.244 174.090 -0.097 0.000 1.340 271 c CA -0.422 55.850 56.329 -0.094 0.000 1.758 271 c CB -1.805 40.680 42.510 -0.041 0.000 2.501 271 c HN 0.568 nan 8.230 nan 0.000 0.588 272 I N 6.333 126.742 120.570 -0.268 0.000 2.474 272 I HA 0.575 4.745 4.170 0.000 0.000 0.294 272 I C -0.637 175.370 176.117 -0.183 0.000 1.005 272 I CA -0.581 60.531 61.300 -0.313 0.000 1.113 272 I CB 1.874 39.436 38.000 -0.731 0.000 1.289 272 I HN 0.246 nan 8.210 nan 0.000 0.436 273 V N 5.138 125.071 119.914 0.031 0.000 2.612 273 V HA 0.406 4.526 4.120 0.000 0.000 0.301 273 V C -0.654 175.529 176.094 0.148 0.000 1.059 273 V CA -0.616 61.738 62.300 0.090 0.000 0.886 273 V CB 1.956 33.904 31.823 0.209 0.000 1.007 273 V HN 0.735 nan 8.190 nan 0.000 0.426 274 E N 2.845 123.059 120.200 0.024 0.000 2.293 274 E HA 0.467 4.817 4.350 0.000 0.000 0.270 274 E C -1.028 175.553 176.600 -0.032 0.000 0.879 274 E CA -0.749 55.648 56.400 -0.006 0.000 0.756 274 E CB 2.880 32.556 29.700 -0.039 0.000 1.208 274 E HN 0.668 nan 8.360 nan 0.000 0.428 275 E N 1.966 122.158 120.200 -0.013 0.000 2.201 275 E HA 0.109 4.459 4.350 0.000 0.000 0.272 275 E C 0.267 176.821 176.600 -0.077 0.000 1.228 275 E CA -0.311 56.085 56.400 -0.007 0.000 1.305 275 E CB 0.324 30.063 29.700 0.065 0.000 1.381 275 E HN 0.291 nan 8.360 nan 0.000 0.475 276 V N -1.356 118.488 119.914 -0.118 0.000 3.237 276 V HA 0.116 4.236 4.120 0.000 0.000 0.305 276 V C 0.377 176.350 176.094 -0.201 0.000 1.096 276 V CA -0.429 61.769 62.300 -0.169 0.000 1.130 276 V CB 1.038 32.734 31.823 -0.212 0.000 1.048 276 V HN 0.248 nan 8.190 nan 0.000 0.484 277 D N 1.885 122.145 120.400 -0.232 0.000 2.225 277 D HA 0.615 5.255 4.640 0.000 0.000 0.248 277 D C -0.086 175.974 176.300 -0.401 0.000 1.096 277 D CA 0.242 54.068 54.000 -0.291 0.000 0.863 277 D CB 1.854 42.517 40.800 -0.229 0.000 1.156 277 D HN 1.061 nan 8.370 nan 0.000 0.450 278 A N 3.385 125.812 122.820 -0.656 0.000 2.325 278 A HA 0.736 5.056 4.320 0.000 0.000 0.333 278 A C -0.182 176.980 177.584 -0.704 0.000 1.155 278 A CA -0.624 50.894 52.037 -0.866 0.000 0.814 278 A CB 1.171 19.111 19.000 -1.766 0.000 1.206 278 A HN 0.559 nan 8.150 nan 0.000 0.482 279 R N 0.393 120.711 120.500 -0.304 0.000 2.564 279 R HA 0.626 4.966 4.340 0.000 0.000 0.284 279 R C -1.032 175.382 176.300 0.190 0.000 1.031 279 R CA -0.302 55.768 56.100 -0.050 0.000 0.904 279 R CB 2.334 32.583 30.300 -0.086 0.000 1.199 279 R HN 0.730 nan 8.270 nan 0.000 0.443 280 S N 1.467 117.403 115.700 0.393 0.000 2.570 280 S HA 0.723 5.193 4.470 0.000 0.000 0.286 280 S C -1.033 173.828 174.600 0.435 0.000 1.099 280 S CA -0.665 57.814 58.200 0.466 0.000 0.913 280 S CB 1.713 65.292 63.200 0.632 0.000 1.085 280 S HN 0.394 nan 8.310 nan 0.000 0.480 281 V N 2.223 122.223 119.914 0.143 0.000 2.769 281 V HA 0.639 4.759 4.120 0.000 0.000 0.312 281 V C -0.545 175.064 176.094 -0.807 0.000 1.061 281 V CA -1.082 61.096 62.300 -0.203 0.000 0.931 281 V CB 1.045 32.840 31.823 -0.048 0.000 1.010 281 V HN 0.964 nan 8.190 nan 0.000 0.433 282 Y N 4.892 124.336 120.300 -1.426 0.000 2.904 282 Y HA 0.203 4.753 4.550 0.000 0.000 0.336 282 Y C -1.453 174.207 175.900 -0.400 0.000 1.263 282 Y CA -0.366 57.111 58.100 -1.037 0.000 1.547 282 Y CB 0.998 39.183 38.460 -0.458 0.000 1.272 282 Y HN 0.645 nan 8.280 nan 0.000 0.596 283 P HA -0.001 nan 4.420 nan 0.000 0.245 283 P C -1.073 176.058 177.300 -0.283 0.000 1.212 283 P CA 0.732 63.341 63.100 -0.818 0.000 0.774 283 P CB -0.227 31.184 31.700 -0.482 0.000 0.999 284 Y N -1.021 119.248 120.300 -0.052 0.000 3.689 284 Y HA -0.227 4.323 4.550 0.000 0.000 0.221 284 Y C 0.567 176.530 175.900 0.104 0.000 1.247 284 Y CA 0.477 58.621 58.100 0.075 0.000 1.671 284 Y CB -2.869 35.655 38.460 0.106 0.000 1.521 284 Y HN 0.217 nan 8.280 nan 0.000 0.632 285 D N 0.044 120.534 120.400 0.149 0.000 2.368 285 D HA 0.168 4.808 4.640 0.000 0.000 0.218 285 D C 0.363 176.788 176.300 0.208 0.000 1.112 285 D CA 0.777 54.870 54.000 0.155 0.000 0.834 285 D CB 0.190 40.975 40.800 -0.026 0.000 0.953 285 D HN 0.665 nan 8.370 nan 0.000 0.505 286 E N -0.858 119.491 120.200 0.248 0.000 2.396 286 E HA 0.448 4.798 4.350 0.000 0.000 0.280 286 E C -1.273 175.518 176.600 0.318 0.000 1.065 286 E CA -1.182 55.368 56.400 0.250 0.000 0.831 286 E CB 0.965 30.762 29.700 0.161 0.000 1.272 286 E HN 0.077 nan 8.360 nan 0.000 0.443 287 F N -0.843 119.129 119.950 0.035 0.000 2.726 287 F HA 0.868 5.395 4.527 0.000 0.000 0.324 287 F C -1.613 174.058 175.800 -0.215 0.000 1.140 287 F CA -1.075 56.914 58.000 -0.017 0.000 0.964 287 F CB 1.122 40.172 39.000 0.084 0.000 1.399 287 F HN 0.293 nan 8.300 nan 0.000 0.491 288 V N 1.628 121.442 119.914 -0.167 0.000 3.001 288 V HA 0.556 4.676 4.120 0.000 0.000 0.314 288 V C -0.294 175.612 176.094 -0.313 0.000 1.099 288 V CA -0.934 61.070 62.300 -0.494 0.000 0.989 288 V CB 1.972 33.385 31.823 -0.684 0.000 1.040 288 V HN 0.782 nan 8.190 nan 0.000 0.434 289 L N 1.129 122.123 121.223 -0.380 0.000 2.347 289 L HA 0.624 4.964 4.340 0.000 0.000 0.268 289 L C 1.585 178.266 176.870 -0.314 0.000 1.019 289 L CA -0.463 54.179 54.840 -0.330 0.000 0.806 289 L CB 1.156 42.995 42.059 -0.367 0.000 1.339 289 L HN 0.752 nan 8.230 nan 0.000 0.463 290 A N -0.505 122.146 122.820 -0.283 0.000 2.066 290 A HA -0.095 4.225 4.320 0.000 0.000 0.218 290 A C 1.966 179.412 177.584 -0.230 0.000 1.157 290 A CA 1.625 53.518 52.037 -0.240 0.000 0.670 290 A CB -0.821 18.052 19.000 -0.212 0.000 0.804 290 A HN 0.896 nan 8.150 nan 0.000 0.453 291 T N -4.702 109.693 114.554 -0.264 0.000 3.043 291 T HA 0.367 4.717 4.350 0.000 0.000 0.263 291 T C 1.406 175.967 174.700 -0.232 0.000 1.094 291 T CA 1.314 63.264 62.100 -0.249 0.000 1.127 291 T CB 0.090 68.772 68.868 -0.310 0.000 0.905 291 T HN 1.546 nan 8.240 nan 0.000 0.490 292 G N 1.180 109.822 108.800 -0.263 0.000 2.175 292 G HA2 -0.105 3.855 3.960 0.000 0.000 0.182 292 G HA3 -0.105 3.855 3.960 0.000 0.000 0.182 292 G C -0.626 174.141 174.900 -0.221 0.000 1.003 292 G CA -0.190 44.767 45.100 -0.239 0.000 0.666 292 G HN 0.566 nan 8.290 nan 0.000 0.506 293 D N 0.434 120.678 120.400 -0.259 0.000 2.225 293 D HA 0.550 5.190 4.640 0.000 0.000 0.248 293 D C 0.250 176.409 176.300 -0.235 0.000 1.096 293 D CA -0.137 53.777 54.000 -0.143 0.000 0.863 293 D CB 1.103 41.817 40.800 -0.144 0.000 1.156 293 D HN 0.041 nan 8.370 nan 0.000 0.450 294 F N 0.601 120.432 119.950 -0.197 0.000 2.406 294 F HA 0.245 4.772 4.527 0.000 0.000 0.327 294 F C 0.719 176.235 175.800 -0.473 0.000 1.153 294 F CA -0.280 57.453 58.000 -0.445 0.000 1.218 294 F CB 1.011 39.598 39.000 -0.689 0.000 1.215 294 F HN -0.034 nan 8.300 nan 0.000 0.570 295 V N 3.075 122.663 119.914 -0.545 0.000 2.462 295 V HA 0.143 4.263 4.120 0.000 0.000 0.288 295 V C -1.170 174.683 176.094 -0.402 0.000 1.020 295 V CA -0.986 61.026 62.300 -0.480 0.000 0.857 295 V CB 0.886 32.183 31.823 -0.877 0.000 1.013 295 V HN 0.528 nan 8.190 nan 0.000 0.431 296 Y N 5.510 125.935 120.300 0.208 0.000 2.724 296 Y HA 0.597 5.147 4.550 0.000 0.000 0.354 296 Y C 0.342 176.410 175.900 0.281 0.000 1.270 296 Y CA 0.036 58.243 58.100 0.179 0.000 1.902 296 Y CB 0.137 38.612 38.460 0.025 0.000 1.981 296 Y HN 0.637 nan 8.280 nan 0.000 0.428 297 M N 0.320 120.110 119.600 0.318 0.000 2.534 297 M HA 0.387 4.867 4.480 0.000 0.000 0.280 297 M C -1.049 175.498 176.300 0.411 0.000 1.217 297 M CA -0.661 54.827 55.300 0.312 0.000 0.893 297 M CB 1.917 34.619 32.600 0.170 0.000 1.730 297 M HN 0.092 nan 8.290 nan 0.000 0.483 298 S N 2.674 118.602 115.700 0.380 0.000 2.549 298 S HA 0.333 4.803 4.470 0.000 0.000 0.283 298 S C -2.027 172.731 174.600 0.264 0.000 1.320 298 S CA -0.977 57.443 58.200 0.365 0.000 1.058 298 S CB 0.679 64.107 63.200 0.380 0.000 0.882 298 S HN 0.590 nan 8.310 nan 0.000 0.498 299 P HA 0.021 nan 4.420 nan 0.000 0.228 299 P C -0.058 176.968 177.300 -0.456 0.000 1.151 299 P CA 1.054 63.704 63.100 -0.749 0.000 0.770 299 P CB -0.031 30.769 31.700 -1.500 0.000 0.786 300 F N -3.674 116.325 119.950 0.081 0.000 2.684 300 F HA 0.240 4.767 4.527 0.000 0.000 0.298 300 F C 0.839 176.879 175.800 0.401 0.000 1.120 300 F CA -0.907 57.160 58.000 0.112 0.000 1.332 300 F CB -0.408 38.531 39.000 -0.101 0.000 0.986 300 F HN -0.157 nan 8.300 nan 0.000 0.524 301 Y N 1.105 121.616 120.300 0.352 0.000 2.336 301 Y HA 0.599 5.149 4.550 0.000 0.000 0.331 301 Y C 0.636 176.522 175.900 -0.023 0.000 1.211 301 Y CA 0.372 58.528 58.100 0.092 0.000 1.346 301 Y CB 0.708 39.094 38.460 -0.124 0.000 1.271 301 Y HN 0.186 nan 8.280 nan 0.000 0.538 302 G N 2.537 110.923 108.800 -0.689 0.000 2.336 302 G HA2 -0.028 3.932 3.960 0.000 0.000 0.286 302 G HA3 -0.028 3.932 3.960 0.000 0.000 0.286 302 G C -1.217 173.308 174.900 -0.626 0.000 1.269 302 G CA -0.518 44.210 45.100 -0.620 0.000 0.873 302 G HN 0.556 nan 8.290 nan 0.000 0.494 303 Y N 0.376 120.521 120.300 -0.258 0.000 2.444 303 Y HA 0.344 4.894 4.550 0.000 0.000 0.252 303 Y C 1.824 177.553 175.900 -0.285 0.000 1.091 303 Y CA -0.387 57.600 58.100 -0.189 0.000 1.276 303 Y CB 0.570 38.955 38.460 -0.124 0.000 1.170 303 Y HN 0.007 nan 8.280 nan 0.000 0.517 304 R N 1.722 121.995 120.500 -0.378 0.000 2.539 304 R HA 0.382 4.722 4.340 0.000 0.000 0.275 304 R C 0.865 177.057 176.300 -0.181 0.000 1.077 304 R CA 0.655 56.543 56.100 -0.352 0.000 1.097 304 R CB 0.367 30.280 30.300 -0.645 0.000 1.018 304 R HN 0.306 nan 8.270 nan 0.000 0.483 305 E N 0.829 120.999 120.200 -0.049 0.000 3.562 305 E HA -0.249 4.101 4.350 0.000 0.000 0.277 305 E C 0.946 177.561 176.600 0.025 0.000 1.503 305 E CA 1.452 57.869 56.400 0.028 0.000 2.178 305 E CB -1.588 28.184 29.700 0.119 0.000 2.019 305 E HN 0.887 nan 8.360 nan 0.000 0.466 306 G N -0.245 108.587 108.800 0.053 0.000 3.262 306 G HA2 0.307 4.267 3.960 0.000 0.000 0.228 306 G HA3 0.307 4.267 3.960 0.000 0.000 0.228 306 G C 1.520 176.450 174.900 0.050 0.000 1.197 306 G CA 1.538 46.664 45.100 0.044 0.000 0.819 306 G HN 1.704 nan 8.290 nan 0.000 0.531 307 S N -0.404 115.335 115.700 0.065 0.000 2.442 307 S HA -0.185 4.285 4.470 0.000 0.000 0.236 307 S C 1.836 176.355 174.600 -0.134 0.000 1.007 307 S CA 1.186 59.431 58.200 0.075 0.000 0.965 307 S CB -0.451 62.857 63.200 0.181 0.000 0.773 307 S HN 0.504 nan 8.310 nan 0.000 0.504 308 H N 1.339 120.259 119.070 -0.249 0.000 2.563 308 H HA 0.163 4.719 4.556 0.000 0.000 0.272 308 H C 1.307 176.508 175.328 -0.211 0.000 1.005 308 H CA 1.473 57.288 56.048 -0.388 0.000 1.171 308 H CB -0.285 29.363 29.762 -0.190 0.000 1.351 308 H HN 0.498 nan 8.280 nan 0.000 0.602 309 T N -0.202 114.311 114.554 -0.068 0.000 3.100 309 T HA 0.012 4.362 4.350 0.000 0.000 0.253 309 T C 0.621 175.335 174.700 0.023 0.000 1.118 309 T CA -0.096 62.000 62.100 -0.007 0.000 1.058 309 T CB 0.223 69.111 68.868 0.033 0.000 0.953 309 T HN 0.248 nan 8.240 nan 0.000 0.515 310 E N 1.767 121.977 120.200 0.016 0.000 2.447 310 E HA 0.086 4.436 4.350 0.000 0.000 0.259 310 E C -0.027 176.766 176.600 0.322 0.000 1.196 310 E CA 0.108 56.621 56.400 0.189 0.000 0.995 310 E CB 0.296 30.152 29.700 0.260 0.000 0.974 310 E HN 0.477 nan 8.360 nan 0.000 0.465 311 H N -0.866 118.343 119.070 0.231 0.000 2.547 311 H HA 0.358 4.914 4.556 0.000 0.000 0.362 311 H C -0.645 174.702 175.328 0.031 0.000 1.181 311 H CA 0.272 56.401 56.048 0.136 0.000 1.376 311 H CB 1.050 30.869 29.762 0.095 0.000 1.488 311 H HN 0.293 nan 8.280 nan 0.000 0.583 312 T N 1.970 115.904 114.554 -1.032 0.000 3.225 312 T HA 0.205 4.555 4.350 0.000 0.000 0.356 312 T C -0.354 173.935 174.700 -0.684 0.000 1.460 312 T CA -0.492 61.196 62.100 -0.686 0.000 1.126 312 T CB 0.771 69.208 68.868 -0.719 0.000 1.321 312 T HN 0.584 nan 8.240 nan 0.000 0.478 313 S N 2.520 117.997 115.700 -0.372 0.000 2.540 313 S HA 0.329 4.799 4.470 0.000 0.000 0.218 313 S C -0.555 173.722 174.600 -0.539 0.000 0.977 313 S CA -0.129 57.805 58.200 -0.443 0.000 0.918 313 S CB -0.054 62.869 63.200 -0.461 0.000 0.806 313 S HN 0.633 nan 8.310 nan 0.000 0.496 314 Y N 1.137 121.364 120.300 -0.123 0.000 2.487 314 Y HA 0.709 5.259 4.550 0.000 0.000 0.337 314 Y C 0.532 176.402 175.900 -0.050 0.000 1.076 314 Y CA -1.541 56.520 58.100 -0.065 0.000 1.115 314 Y CB 0.537 38.975 38.460 -0.036 0.000 1.235 314 Y HN 0.033 nan 8.280 nan 0.000 0.468 315 A N 0.956 123.867 122.820 0.152 0.000 2.475 315 A HA 0.409 4.729 4.320 0.000 0.000 0.239 315 A C 1.419 179.090 177.584 0.146 0.000 1.087 315 A CA 0.318 52.422 52.037 0.111 0.000 0.779 315 A CB -0.358 18.698 19.000 0.094 0.000 1.036 315 A HN 1.072 nan 8.150 nan 0.000 0.506 316 A N 0.254 123.163 122.820 0.147 0.000 1.930 316 A HA -0.124 4.196 4.320 0.000 0.000 0.217 316 A C 1.584 179.292 177.584 0.207 0.000 1.175 316 A CA 1.916 54.082 52.037 0.214 0.000 0.627 316 A CB -0.541 18.584 19.000 0.209 0.000 0.815 316 A HN 0.915 nan 8.150 nan 0.000 0.443 317 D N -1.052 119.424 120.400 0.127 0.000 2.347 317 D HA -0.102 4.538 4.640 0.000 0.000 0.213 317 D C 1.676 178.018 176.300 0.071 0.000 0.985 317 D CA 0.212 54.255 54.000 0.072 0.000 0.879 317 D CB -0.381 40.441 40.800 0.037 0.000 0.919 317 D HN 0.231 nan 8.370 nan 0.000 0.526 318 R N 0.090 120.658 120.500 0.113 0.000 2.080 318 R HA -0.055 4.285 4.340 0.000 0.000 0.236 318 R C 0.747 177.131 176.300 0.139 0.000 1.137 318 R CA 0.445 56.605 56.100 0.100 0.000 0.943 318 R CB -1.029 29.330 30.300 0.098 0.000 0.846 318 R HN 0.299 nan 8.270 nan 0.000 0.431 319 F N 1.449 121.423 119.950 0.040 0.000 2.384 319 F HA 0.321 4.848 4.527 0.000 0.000 0.338 319 F C -0.322 175.527 175.800 0.083 0.000 1.103 319 F CA -0.308 57.731 58.000 0.065 0.000 1.157 319 F CB 0.802 39.840 39.000 0.064 0.000 1.167 319 F HN -0.237 nan 8.300 nan 0.000 0.529 320 K N 4.124 123.980 120.400 -0.906 0.000 2.527 320 K HA 0.266 4.586 4.320 0.000 0.000 0.260 320 K C -1.692 174.391 176.600 -0.862 0.000 0.937 320 K CA -0.975 54.862 56.287 -0.749 0.000 0.826 320 K CB 2.311 34.453 32.500 -0.597 0.000 1.359 320 K HN 0.647 nan 8.250 nan 0.000 0.434 321 Q N 2.566 122.102 119.800 -0.439 0.000 2.397 321 Q HA 0.266 4.606 4.340 0.000 0.000 0.260 321 Q C -1.389 174.604 176.000 -0.011 0.000 1.002 321 Q CA -0.604 55.061 55.803 -0.231 0.000 0.716 321 Q CB 1.719 30.396 28.738 -0.101 0.000 1.258 321 Q HN 0.379 nan 8.270 nan 0.000 0.477 322 V N 4.293 124.230 119.914 0.040 0.000 2.446 322 V HA 0.023 4.143 4.120 0.000 0.000 0.276 322 V C -0.477 175.671 176.094 0.090 0.000 1.030 322 V CA 0.380 62.755 62.300 0.125 0.000 1.033 322 V CB 0.928 32.883 31.823 0.220 0.000 0.993 322 V HN 0.753 nan 8.190 nan 0.000 0.477 323 D N 4.785 125.231 120.400 0.077 0.000 2.500 323 D HA 0.549 5.189 4.640 0.000 0.000 0.219 323 D C 0.634 176.973 176.300 0.064 0.000 1.137 323 D CA 0.532 54.564 54.000 0.052 0.000 0.946 323 D CB 0.699 41.511 40.800 0.020 0.000 1.022 323 D HN 0.867 nan 8.370 nan 0.000 0.518 324 G N 1.820 110.667 108.800 0.078 0.000 2.467 324 G HA2 -0.149 3.811 3.960 0.000 0.000 0.226 324 G HA3 -0.149 3.811 3.960 0.000 0.000 0.226 324 G C -0.788 174.123 174.900 0.017 0.000 1.162 324 G CA -1.031 44.086 45.100 0.029 0.000 0.838 324 G HN 0.362 nan 8.290 nan 0.000 0.498 325 F N 1.800 121.665 119.950 -0.141 0.000 2.391 325 F HA 0.696 5.223 4.527 0.000 0.000 0.359 325 F C -0.238 175.449 175.800 -0.189 0.000 1.122 325 F CA -1.159 56.782 58.000 -0.099 0.000 1.120 325 F CB 0.704 39.673 39.000 -0.052 0.000 1.142 325 F HN 0.187 nan 8.300 nan 0.000 0.483 326 Y N 5.695 125.687 120.300 -0.514 0.000 2.700 326 Y HA 0.514 5.064 4.550 0.000 0.000 0.333 326 Y C 0.537 176.105 175.900 -0.553 0.000 1.036 326 Y CA -0.744 57.143 58.100 -0.355 0.000 1.287 326 Y CB 0.312 38.632 38.460 -0.233 0.000 1.132 326 Y HN 0.710 nan 8.280 nan 0.000 0.510 327 A N 4.430 127.164 122.820 -0.143 0.000 2.425 327 A HA 0.506 4.826 4.320 0.000 0.000 0.249 327 A C 0.264 177.872 177.584 0.041 0.000 1.084 327 A CA -0.647 51.432 52.037 0.070 0.000 0.781 327 A CB 0.211 19.487 19.000 0.460 0.000 1.019 327 A HN 0.854 nan 8.150 nan 0.000 0.490 328 R N 2.364 122.867 120.500 0.005 0.000 2.460 328 R HA 0.402 4.742 4.340 0.000 0.000 0.303 328 R C -0.838 175.449 176.300 -0.023 0.000 0.968 328 R CA -0.715 55.377 56.100 -0.013 0.000 0.889 328 R CB 1.159 31.427 30.300 -0.053 0.000 1.123 328 R HN 0.654 nan 8.270 nan 0.000 0.455 329 D N 3.350 123.741 120.400 -0.014 0.000 2.458 329 D HA -0.018 4.622 4.640 0.000 0.000 0.243 329 D C 0.672 176.896 176.300 -0.127 0.000 1.146 329 D CA 0.069 54.052 54.000 -0.029 0.000 0.877 329 D CB 0.981 41.800 40.800 0.030 0.000 1.176 329 D HN 0.633 nan 8.370 nan 0.000 0.461 330 L N 3.025 124.055 121.223 -0.321 0.000 2.599 330 L HA -0.048 4.292 4.340 0.000 0.000 0.230 330 L C 1.965 178.656 176.870 -0.298 0.000 1.141 330 L CA 0.459 54.944 54.840 -0.590 0.000 0.877 330 L CB 0.120 41.275 42.059 -1.507 0.000 1.009 330 L HN 0.424 nan 8.230 nan 0.000 0.447 331 T N -2.399 112.178 114.554 0.038 0.000 3.056 331 T HA -0.047 4.303 4.350 0.000 0.000 0.243 331 T C 1.791 176.550 174.700 0.098 0.000 0.995 331 T CA 1.220 63.443 62.100 0.205 0.000 1.091 331 T CB 0.323 69.403 68.868 0.354 0.000 0.990 331 T HN 0.369 nan 8.240 nan 0.000 0.464 332 T N -0.368 114.227 114.554 0.068 0.000 3.060 332 T HA 0.218 4.568 4.350 0.000 0.000 0.249 332 T C 1.037 175.745 174.700 0.013 0.000 1.079 332 T CA 0.127 62.253 62.100 0.043 0.000 1.013 332 T CB -0.066 68.831 68.868 0.049 0.000 0.975 332 T HN 0.213 nan 8.240 nan 0.000 0.518 333 K N 0.041 120.435 120.400 -0.011 0.000 3.548 333 K HA -0.177 4.143 4.320 0.000 0.000 0.310 333 K C 0.775 177.361 176.600 -0.025 0.000 1.282 333 K CA 0.900 57.167 56.287 -0.032 0.000 1.008 333 K CB -2.575 29.908 32.500 -0.027 0.000 1.265 333 K HN 0.771 nan 8.250 nan 0.000 0.430 334 A N 1.884 124.700 122.820 -0.006 0.000 2.507 334 A HA 0.177 4.497 4.320 0.000 0.000 0.235 334 A C 0.540 178.121 177.584 -0.005 0.000 1.070 334 A CA 0.268 52.303 52.037 -0.002 0.000 0.768 334 A CB 0.206 19.216 19.000 0.015 0.000 1.011 334 A HN 0.321 nan 8.150 nan 0.000 0.502 335 R N 1.331 121.825 120.500 -0.011 0.000 2.474 335 R HA 0.528 4.868 4.340 0.000 0.000 0.295 335 R C 0.193 176.523 176.300 0.049 0.000 0.980 335 R CA -0.114 55.982 56.100 -0.007 0.000 0.934 335 R CB 1.181 31.442 30.300 -0.064 0.000 1.101 335 R HN 0.958 nan 8.270 nan 0.000 0.469 336 A N 1.861 124.749 122.820 0.114 0.000 2.561 336 A HA -0.026 4.294 4.320 0.000 0.000 0.234 336 A C 1.340 179.091 177.584 0.279 0.000 1.055 336 A CA 0.656 52.805 52.037 0.186 0.000 0.756 336 A CB 0.265 19.383 19.000 0.197 0.000 0.986 336 A HN 0.937 nan 8.150 nan 0.000 0.505 337 T N -0.454 114.222 114.554 0.204 0.000 3.035 337 T HA 0.420 4.770 4.350 0.000 0.000 0.259 337 T C 0.600 175.504 174.700 0.342 0.000 1.078 337 T CA 0.976 63.196 62.100 0.200 0.000 1.132 337 T CB -0.157 68.775 68.868 0.107 0.000 0.900 337 T HN 1.561 nan 8.240 nan 0.000 0.480 338 A N 2.533 125.497 122.820 0.239 0.000 2.371 338 A HA 0.780 5.100 4.320 0.000 0.000 0.311 338 A C -2.855 174.567 177.584 -0.268 0.000 1.068 338 A CA -2.105 49.983 52.037 0.085 0.000 0.744 338 A CB 1.402 20.432 19.000 0.049 0.000 1.239 338 A HN 0.293 nan 8.150 nan 0.000 0.435 339 P HA 0.439 nan 4.420 nan 0.000 0.276 339 P C -0.040 177.122 177.300 -0.231 0.000 1.244 339 P CA 0.104 62.747 63.100 -0.762 0.000 0.801 339 P CB 1.513 32.745 31.700 -0.779 0.000 1.006 340 T N -2.278 112.224 114.554 -0.087 0.000 2.676 340 T HA 0.503 4.853 4.350 0.000 0.000 0.269 340 T C -0.472 174.270 174.700 0.070 0.000 0.952 340 T CA -0.543 61.575 62.100 0.030 0.000 1.040 340 T CB 0.452 69.363 68.868 0.072 0.000 1.352 340 T HN 0.250 nan 8.240 nan 0.000 0.554 341 T N 1.825 116.438 114.554 0.099 0.000 2.874 341 T HA 0.520 4.870 4.350 0.000 0.000 0.321 341 T C -0.317 174.378 174.700 -0.010 0.000 1.075 341 T CA -0.534 61.613 62.100 0.079 0.000 0.966 341 T CB 0.577 69.526 68.868 0.135 0.000 1.001 341 T HN 0.554 nan 8.240 nan 0.000 0.476 342 R N 3.317 123.750 120.500 -0.112 0.000 2.248 342 R HA 0.318 4.658 4.340 0.000 0.000 0.328 342 R C -0.289 175.810 176.300 -0.335 0.000 1.067 342 R CA -0.403 55.496 56.100 -0.336 0.000 0.924 342 R CB -0.234 29.561 30.300 -0.841 0.000 1.013 342 R HN 0.399 nan 8.270 nan 0.000 0.454 343 N N 3.122 121.531 118.700 -0.485 0.000 2.524 343 N HA 0.390 5.130 4.740 0.000 0.000 0.283 343 N C -1.163 174.103 175.510 -0.407 0.000 1.142 343 N CA -0.144 52.562 53.050 -0.573 0.000 0.984 343 N CB 0.864 38.587 38.487 -1.274 0.000 1.155 343 N HN 0.326 nan 8.380 nan 0.000 0.467 344 L N 1.848 122.988 121.223 -0.139 0.000 2.504 344 L HA 0.358 4.698 4.340 0.000 0.000 0.265 344 L C -1.290 175.760 176.870 0.301 0.000 0.975 344 L CA -0.370 54.550 54.840 0.134 0.000 0.864 344 L CB 1.411 43.535 42.059 0.108 0.000 1.212 344 L HN 0.320 nan 8.230 nan 0.000 0.416 345 L N 2.558 124.087 121.223 0.510 0.000 2.275 345 L HA 0.678 5.018 4.340 0.000 0.000 0.288 345 L C -0.008 176.940 176.870 0.129 0.000 1.046 345 L CA 0.487 55.532 54.840 0.341 0.000 0.805 345 L CB 1.646 43.900 42.059 0.324 0.000 1.193 345 L HN 0.539 nan 8.230 nan 0.000 0.426 346 T N 3.559 118.117 114.554 0.006 0.000 2.929 346 T HA 0.352 4.702 4.350 0.000 0.000 0.331 346 T C 0.231 174.794 174.700 -0.227 0.000 1.120 346 T CA -0.376 61.691 62.100 -0.055 0.000 0.973 346 T CB 0.198 69.087 68.868 0.035 0.000 1.036 346 T HN 0.803 nan 8.240 nan 0.000 0.502 347 T N 1.188 115.475 114.554 -0.446 0.000 2.816 347 T HA 0.321 4.671 4.350 0.000 0.000 0.282 347 T C -1.698 172.826 174.700 -0.294 0.000 0.993 347 T CA -1.929 59.879 62.100 -0.486 0.000 0.994 347 T CB 0.706 69.075 68.868 -0.831 0.000 1.025 347 T HN 0.015 nan 8.240 nan 0.000 0.529 348 P HA -0.046 nan 4.420 nan 0.000 0.220 348 P C 0.871 178.117 177.300 -0.091 0.000 1.144 348 P CA 1.262 64.335 63.100 -0.045 0.000 0.800 348 P CB 0.070 31.784 31.700 0.024 0.000 0.772 349 K N -2.208 118.086 120.400 -0.177 0.000 2.402 349 K HA 0.245 4.565 4.320 0.000 0.000 0.204 349 K C 0.116 176.783 176.600 0.111 0.000 1.056 349 K CA 0.092 56.355 56.287 -0.040 0.000 1.069 349 K CB 0.657 33.209 32.500 0.086 0.000 0.888 349 K HN 0.229 nan 8.250 nan 0.000 0.546 350 F N -2.643 117.293 119.950 -0.023 0.000 2.829 350 F HA 0.295 4.822 4.527 0.000 0.000 0.319 350 F C -1.449 174.400 175.800 0.083 0.000 1.153 350 F CA -1.154 56.870 58.000 0.042 0.000 0.912 350 F CB 0.864 39.831 39.000 -0.056 0.000 1.292 350 F HN -0.386 nan 8.300 nan 0.000 0.447 351 T N 2.170 116.976 114.554 0.421 0.000 2.770 351 T HA 0.595 4.945 4.350 0.000 0.000 0.283 351 T C -1.327 173.705 174.700 0.553 0.000 0.988 351 T CA -0.654 61.669 62.100 0.371 0.000 0.957 351 T CB 1.420 70.467 68.868 0.298 0.000 0.930 351 T HN 0.833 nan 8.240 nan 0.000 0.443 352 V N 3.301 123.533 119.914 0.531 0.000 2.448 352 V HA 0.880 5.000 4.120 0.000 0.000 0.295 352 V C -0.716 175.785 176.094 0.679 0.000 1.025 352 V CA -0.596 62.035 62.300 0.552 0.000 0.859 352 V CB 0.977 33.118 31.823 0.531 0.000 0.988 352 V HN 1.044 nan 8.190 nan 0.000 0.431 353 A N 7.023 130.207 122.820 0.607 0.000 2.355 353 A HA 0.984 5.304 4.320 0.000 0.000 0.317 353 A C -1.028 176.946 177.584 0.650 0.000 1.094 353 A CA -0.535 51.835 52.037 0.554 0.000 0.764 353 A CB 1.029 20.222 19.000 0.322 0.000 1.230 353 A HN 1.550 nan 8.150 nan 0.000 0.448 354 W N 0.557 121.953 121.300 0.161 0.000 3.039 354 W HA 0.714 5.374 4.660 -0.000 0.000 0.354 354 W C -1.655 174.932 176.519 0.113 0.000 1.206 354 W CA -0.861 56.573 57.345 0.148 0.000 1.134 354 W CB 0.814 30.413 29.460 0.230 0.000 1.493 354 W HN 0.412 nan 8.180 nan 0.000 0.591 355 D N 1.249 121.716 120.400 0.111 0.000 2.317 355 D HA 0.100 4.740 4.640 0.000 0.000 0.234 355 D C -1.045 175.247 176.300 -0.014 0.000 1.112 355 D CA -0.038 53.958 54.000 -0.006 0.000 0.840 355 D CB 0.726 41.575 40.800 0.081 0.000 1.078 355 D HN 0.506 nan 8.370 nan 0.000 0.486 356 W N 4.443 125.599 121.300 -0.240 0.000 2.251 356 W HA 0.313 4.973 4.660 0.000 0.000 0.327 356 W C -0.507 176.016 176.519 0.007 0.000 1.361 356 W CA -0.276 57.000 57.345 -0.116 0.000 1.234 356 W CB 0.491 29.890 29.460 -0.102 0.000 1.212 356 W HN 0.163 nan 8.180 nan 0.000 0.557 357 V N 5.662 125.032 119.914 -0.908 0.000 2.841 357 V HA 0.642 4.762 4.120 0.000 0.000 0.310 357 V C -2.373 172.930 176.094 -1.318 0.000 1.090 357 V CA -2.971 58.754 62.300 -0.957 0.000 0.930 357 V CB 1.629 33.258 31.823 -0.323 0.000 1.014 357 V HN 0.569 nan 8.190 nan 0.000 0.425 358 P HA 0.049 nan 4.420 nan 0.000 0.265 358 P C 0.271 177.254 177.300 -0.529 0.000 1.187 358 P CA 0.207 62.912 63.100 -0.658 0.000 0.766 358 P CB 0.991 32.522 31.700 -0.281 0.000 0.820 359 K N 3.897 123.933 120.400 -0.607 0.000 1.968 359 K HA -0.148 4.172 4.320 0.000 0.000 0.215 359 K C 2.065 178.186 176.600 -0.799 0.000 1.040 359 K CA 1.112 56.652 56.287 -1.244 0.000 0.959 359 K CB -0.268 31.578 32.500 -1.089 0.000 0.740 359 K HN 0.236 nan 8.250 nan 0.000 0.443 360 R N 0.081 120.294 120.500 -0.478 0.000 2.190 360 R HA -0.196 4.144 4.340 0.000 0.000 0.255 360 R C -0.524 175.620 176.300 -0.261 0.000 1.143 360 R CA 2.434 58.346 56.100 -0.314 0.000 0.965 360 R CB -1.541 28.646 30.300 -0.190 0.000 0.889 360 R HN 0.377 nan 8.270 nan 0.000 0.448 361 P HA -0.028 nan 4.420 nan 0.000 0.216 361 P C 1.078 178.290 177.300 -0.146 0.000 1.153 361 P CA 1.296 64.307 63.100 -0.149 0.000 0.848 361 P CB 0.030 31.657 31.700 -0.121 0.000 0.787 362 S N -0.876 114.690 115.700 -0.222 0.000 2.419 362 S HA -0.025 4.445 4.470 0.000 0.000 0.233 362 S C 1.256 175.788 174.600 -0.114 0.000 1.016 362 S CA 1.152 59.279 58.200 -0.122 0.000 0.974 362 S CB -0.868 62.274 63.200 -0.097 0.000 0.786 362 S HN 0.083 nan 8.310 nan 0.000 0.492 363 V N -3.139 116.611 119.914 -0.273 0.000 3.165 363 V HA 0.897 5.017 4.120 0.000 0.000 0.307 363 V C -0.291 175.749 176.094 -0.090 0.000 1.281 363 V CA -1.126 61.046 62.300 -0.214 0.000 1.056 363 V CB 1.390 32.893 31.823 -0.534 0.000 1.178 363 V HN 0.171 nan 8.190 nan 0.000 0.475 364 c N -0.556 118.045 118.600 0.002 0.000 3.136 364 c HA 0.537 5.107 4.570 0.000 0.000 0.376 364 c C 0.889 175.057 174.090 0.129 0.000 1.114 364 c CA 0.521 56.883 56.329 0.056 0.000 1.110 364 c CB 0.887 43.435 42.510 0.064 0.000 1.452 364 c HN 1.530 nan 8.230 nan 0.000 0.542 365 T N 0.629 115.239 114.554 0.094 0.000 3.069 365 T HA 0.371 4.721 4.350 0.000 0.000 0.252 365 T C 0.345 175.059 174.700 0.024 0.000 1.053 365 T CA 0.024 62.159 62.100 0.059 0.000 0.964 365 T CB 0.012 68.870 68.868 -0.017 0.000 1.005 365 T HN 0.547 nan 8.240 nan 0.000 0.532 366 M N 1.833 121.469 119.600 0.060 0.000 2.530 366 M HA 0.454 4.934 4.480 0.000 0.000 0.307 366 M C -1.095 175.343 176.300 0.229 0.000 1.161 366 M CA -0.301 55.063 55.300 0.107 0.000 0.903 366 M CB 2.174 34.819 32.600 0.074 0.000 1.711 366 M HN -0.066 nan 8.290 nan 0.000 0.451 367 T N 1.879 116.586 114.554 0.256 0.000 2.786 367 T HA 0.269 4.619 4.350 0.000 0.000 0.283 367 T C -0.098 174.723 174.700 0.203 0.000 0.992 367 T CA -0.706 61.536 62.100 0.237 0.000 0.954 367 T CB 1.330 70.274 68.868 0.126 0.000 0.934 367 T HN 0.548 nan 8.240 nan 0.000 0.440 368 K N 2.308 122.729 120.400 0.034 0.000 2.504 368 K HA -0.078 4.242 4.320 0.000 0.000 0.278 368 K C 0.036 176.555 176.600 -0.136 0.000 1.025 368 K CA 0.261 56.187 56.287 -0.603 0.000 1.093 368 K CB 0.294 32.554 32.500 -0.400 0.000 0.873 368 K HN 0.716 nan 8.250 nan 0.000 0.483 369 W N 3.751 124.841 121.300 -0.349 0.000 3.127 369 W HA 0.167 4.827 4.660 0.000 0.000 0.248 369 W C -0.340 176.105 176.519 -0.124 0.000 1.058 369 W CA 0.595 57.859 57.345 -0.135 0.000 1.783 369 W CB 0.704 30.155 29.460 -0.015 0.000 1.030 369 W HN 0.489 nan 8.180 nan 0.000 0.653 370 Q N 0.920 120.517 119.800 -0.338 0.000 2.416 370 Q HA 0.266 4.606 4.340 0.000 0.000 0.281 370 Q C -1.489 174.337 176.000 -0.290 0.000 1.067 370 Q CA -0.542 54.972 55.803 -0.482 0.000 0.809 370 Q CB 2.321 30.582 28.738 -0.796 0.000 1.418 370 Q HN 0.101 nan 8.270 nan 0.000 0.411 371 E N 1.028 121.089 120.200 -0.232 0.000 2.133 371 E HA 0.436 4.786 4.350 0.000 0.000 0.274 371 E C -0.907 175.616 176.600 -0.129 0.000 0.930 371 E CA -0.538 55.774 56.400 -0.147 0.000 0.770 371 E CB 1.996 31.631 29.700 -0.109 0.000 1.104 371 E HN 0.136 nan 8.360 nan 0.000 0.403 372 V N 4.295 124.160 119.914 -0.081 0.000 2.293 372 V HA 0.024 4.144 4.120 0.000 0.000 0.275 372 V C 0.344 176.435 176.094 -0.004 0.000 1.021 372 V CA -0.490 61.779 62.300 -0.051 0.000 0.815 372 V CB 1.019 32.829 31.823 -0.021 0.000 1.025 372 V HN 0.671 nan 8.190 nan 0.000 0.448 373 D N 3.394 123.781 120.400 -0.021 0.000 2.123 373 D HA -0.079 4.561 4.640 0.000 0.000 0.196 373 D C 1.244 177.588 176.300 0.074 0.000 0.992 373 D CA 1.904 55.905 54.000 0.001 0.000 0.833 373 D CB 0.316 41.080 40.800 -0.060 0.000 0.954 373 D HN 0.786 nan 8.370 nan 0.000 0.455 374 E N 0.280 120.516 120.200 0.059 0.000 2.593 374 E HA 0.489 4.839 4.350 0.000 0.000 0.232 374 E C -0.833 175.825 176.600 0.097 0.000 1.026 374 E CA -0.567 55.889 56.400 0.094 0.000 0.772 374 E CB 0.385 30.131 29.700 0.078 0.000 1.310 374 E HN -0.024 nan 8.360 nan 0.000 0.413 375 M N 2.115 121.813 119.600 0.164 0.000 2.209 375 M HA 0.567 5.047 4.480 0.000 0.000 0.355 375 M C -1.213 175.245 176.300 0.263 0.000 1.171 375 M CA -1.135 54.302 55.300 0.229 0.000 1.069 375 M CB 0.802 33.606 32.600 0.340 0.000 1.622 375 M HN 0.440 nan 8.290 nan 0.000 0.459 376 L N 4.997 126.292 121.223 0.121 0.000 2.296 376 L HA 0.564 4.904 4.340 0.000 0.000 0.286 376 L C -0.170 176.616 176.870 -0.141 0.000 1.023 376 L CA -0.639 54.218 54.840 0.029 0.000 0.812 376 L CB 1.337 43.347 42.059 -0.081 0.000 1.223 376 L HN 0.676 nan 8.230 nan 0.000 0.421 377 R N 2.432 122.781 120.500 -0.252 0.000 2.229 377 R HA 0.461 4.801 4.340 0.000 0.000 0.332 377 R C -0.894 175.249 176.300 -0.262 0.000 0.989 377 R CA -0.189 55.510 56.100 -0.668 0.000 0.842 377 R CB 1.050 30.656 30.300 -1.157 0.000 1.119 377 R HN 0.687 nan 8.270 nan 0.000 0.456 378 S N 2.865 118.475 115.700 -0.151 0.000 2.593 378 S HA 0.257 4.727 4.470 0.000 0.000 0.297 378 S C -0.782 173.944 174.600 0.211 0.000 1.112 378 S CA -0.836 57.438 58.200 0.124 0.000 1.043 378 S CB 1.805 65.154 63.200 0.247 0.000 1.054 378 S HN 0.675 nan 8.310 nan 0.000 0.516 379 E N 0.957 121.298 120.200 0.235 0.000 2.165 379 E HA 0.535 4.885 4.350 0.000 0.000 0.266 379 E C -2.005 174.740 176.600 0.241 0.000 0.889 379 E CA -0.483 56.059 56.400 0.237 0.000 0.756 379 E CB 0.857 30.680 29.700 0.205 0.000 1.131 379 E HN 0.615 nan 8.360 nan 0.000 0.411 380 Y N 1.726 122.012 120.300 -0.023 0.000 2.521 380 Y HA 0.343 4.893 4.550 0.000 0.000 0.326 380 Y C 0.303 176.188 175.900 -0.025 0.000 1.176 380 Y CA 0.051 58.141 58.100 -0.016 0.000 1.079 380 Y CB 1.940 40.411 38.460 0.018 0.000 1.341 380 Y HN 0.635 nan 8.280 nan 0.000 0.456 381 G N 2.216 110.752 108.800 -0.439 0.000 2.258 381 G HA2 0.063 4.023 3.960 0.000 0.000 0.274 381 G HA3 0.063 4.023 3.960 0.000 0.000 0.274 381 G C 1.013 175.828 174.900 -0.142 0.000 1.021 381 G CA 1.277 46.203 45.100 -0.291 0.000 0.798 381 G HN 2.200 nan 8.290 nan 0.000 0.507 382 G N -2.529 106.182 108.800 -0.148 0.000 2.176 382 G HA2 0.090 4.050 3.960 0.000 0.000 0.252 382 G HA3 0.090 4.050 3.960 0.000 0.000 0.252 382 G C 0.272 175.105 174.900 -0.112 0.000 1.024 382 G CA 0.928 45.955 45.100 -0.121 0.000 0.755 382 G HN 1.771 nan 8.290 nan 0.000 0.507 383 S N -1.885 113.740 115.700 -0.125 0.000 2.688 383 S HA 0.844 5.314 4.470 0.000 0.000 0.275 383 S C -1.287 173.237 174.600 -0.126 0.000 1.175 383 S CA -0.719 57.428 58.200 -0.088 0.000 0.818 383 S CB 1.311 64.541 63.200 0.051 0.000 1.157 383 S HN 0.353 nan 8.310 nan 0.000 0.482 384 F N 1.363 121.334 119.950 0.035 0.000 2.541 384 F HA 0.675 5.202 4.527 0.000 0.000 0.331 384 F C 0.350 176.071 175.800 -0.133 0.000 1.057 384 F CA -0.932 56.984 58.000 -0.140 0.000 0.975 384 F CB 1.429 40.246 39.000 -0.304 0.000 1.246 384 F HN 0.305 nan 8.300 nan 0.000 0.484 385 R N 1.171 121.616 120.500 -0.092 0.000 2.575 385 R HA 0.482 4.822 4.340 0.000 0.000 0.293 385 R C -1.926 174.131 176.300 -0.404 0.000 0.983 385 R CA -0.600 55.460 56.100 -0.067 0.000 0.887 385 R CB 1.712 32.043 30.300 0.052 0.000 1.184 385 R HN 0.380 nan 8.270 nan 0.000 0.445 386 F N 1.247 121.239 119.950 0.070 0.000 2.451 386 F HA 0.207 4.734 4.527 0.000 0.000 0.367 386 F C 0.496 176.362 175.800 0.110 0.000 1.100 386 F CA -0.699 57.309 58.000 0.012 0.000 1.171 386 F CB 1.694 40.686 39.000 -0.013 0.000 1.405 386 F HN 0.321 nan 8.300 nan 0.000 0.482 387 S N 1.670 117.472 115.700 0.170 0.000 2.448 387 S HA 0.251 4.721 4.470 0.000 0.000 0.279 387 S C 0.160 174.836 174.600 0.127 0.000 1.195 387 S CA -0.469 57.847 58.200 0.194 0.000 1.051 387 S CB 1.014 64.365 63.200 0.251 0.000 0.948 387 S HN 0.428 nan 8.310 nan 0.000 0.493 388 S N 3.529 119.237 115.700 0.014 0.000 2.473 388 S HA 0.175 4.645 4.470 0.000 0.000 0.312 388 S C 0.832 175.290 174.600 -0.237 0.000 1.087 388 S CA -0.600 57.553 58.200 -0.080 0.000 1.077 388 S CB 0.156 63.289 63.200 -0.111 0.000 1.065 388 S HN 0.906 nan 8.310 nan 0.000 0.510 389 D N 4.835 125.202 120.400 -0.056 0.000 2.116 389 D HA -0.162 4.478 4.640 0.000 0.000 0.193 389 D C 1.988 178.183 176.300 -0.175 0.000 0.998 389 D CA 1.933 55.929 54.000 -0.005 0.000 0.836 389 D CB 0.016 40.869 40.800 0.088 0.000 0.951 389 D HN 0.695 nan 8.370 nan 0.000 0.449 390 A N -0.019 122.704 122.820 -0.162 0.000 1.873 390 A HA -0.084 4.236 4.320 0.000 0.000 0.215 390 A C 2.233 179.660 177.584 -0.261 0.000 1.186 390 A CA 1.061 52.996 52.037 -0.171 0.000 0.616 390 A CB -0.610 18.309 19.000 -0.134 0.000 0.823 390 A HN 0.371 nan 8.150 nan 0.000 0.442 391 I N -0.063 120.310 120.570 -0.329 0.000 3.251 391 I HA -0.065 4.105 4.170 0.000 0.000 0.277 391 I C 0.262 176.054 176.117 -0.543 0.000 1.268 391 I CA 0.586 61.664 61.300 -0.371 0.000 1.449 391 I CB -0.261 37.535 38.000 -0.339 0.000 1.083 391 I HN 0.246 nan 8.210 nan 0.000 0.464 392 S N 1.526 116.676 115.700 -0.917 0.000 3.783 392 S HA -0.139 4.331 4.470 0.000 0.000 0.360 392 S C 0.309 174.102 174.600 -1.344 0.000 1.006 392 S CA 0.819 58.012 58.200 -1.678 0.000 1.115 392 S CB -2.038 60.742 63.200 -0.700 0.000 0.893 392 S HN 0.769 nan 8.310 nan 0.000 0.475 393 T N -2.198 111.690 114.554 -1.110 0.000 2.896 393 T HA 0.768 5.118 4.350 0.000 0.000 0.297 393 T C -0.667 173.845 174.700 -0.314 0.000 1.108 393 T CA -0.654 61.084 62.100 -0.603 0.000 1.004 393 T CB 2.566 71.046 68.868 -0.647 0.000 1.159 393 T HN 0.067 nan 8.240 nan 0.000 0.499 394 T N 2.236 116.607 114.554 -0.305 0.000 2.949 394 T HA 0.556 4.906 4.350 0.000 0.000 0.300 394 T C -1.239 173.329 174.700 -0.220 0.000 0.988 394 T CA -0.400 61.653 62.100 -0.078 0.000 0.993 394 T CB 0.278 69.209 68.868 0.105 0.000 0.984 394 T HN 0.519 nan 8.240 nan 0.000 0.442 395 F N 1.618 121.653 119.950 0.141 0.000 2.397 395 F HA 0.570 5.097 4.527 0.000 0.000 0.331 395 F C 1.179 177.168 175.800 0.315 0.000 1.090 395 F CA -0.594 57.523 58.000 0.196 0.000 1.065 395 F CB 1.514 40.611 39.000 0.162 0.000 1.184 395 F HN 0.296 nan 8.300 nan 0.000 0.499 396 T N 1.359 116.203 114.554 0.484 0.000 2.823 396 T HA 0.676 5.026 4.350 0.000 0.000 0.279 396 T C -0.573 174.372 174.700 0.408 0.000 0.998 396 T CA -0.597 61.738 62.100 0.393 0.000 0.994 396 T CB 1.548 70.590 68.868 0.290 0.000 0.960 396 T HN 0.585 nan 8.240 nan 0.000 0.448 397 T N 2.581 117.375 114.554 0.399 0.000 2.853 397 T HA 0.379 4.729 4.350 0.000 0.000 0.311 397 T C -0.319 174.565 174.700 0.306 0.000 1.307 397 T CA -0.965 61.372 62.100 0.395 0.000 1.019 397 T CB 1.391 70.588 68.868 0.549 0.000 1.264 397 T HN 0.406 nan 8.240 nan 0.000 0.497 398 N N 0.746 119.607 118.700 0.269 0.000 2.297 398 N HA 0.183 4.923 4.740 0.000 0.000 0.232 398 N C 0.857 176.495 175.510 0.213 0.000 1.311 398 N CA -0.193 52.968 53.050 0.186 0.000 0.897 398 N CB 0.391 38.986 38.487 0.180 0.000 1.137 398 N HN 0.475 nan 8.380 nan 0.000 0.449 399 L N 0.152 121.398 121.223 0.039 0.000 2.591 399 L HA 0.092 4.432 4.340 0.000 0.000 0.228 399 L C 0.377 177.396 176.870 0.248 0.000 1.133 399 L CA 0.504 55.307 54.840 -0.063 0.000 0.880 399 L CB -0.133 41.748 42.059 -0.297 0.000 1.033 399 L HN 0.300 nan 8.230 nan 0.000 0.450 400 T N 0.050 114.765 114.554 0.268 0.000 2.795 400 T HA 0.259 4.609 4.350 0.000 0.000 0.282 400 T C 0.190 175.044 174.700 0.258 0.000 0.980 400 T CA -0.599 61.641 62.100 0.232 0.000 1.012 400 T CB 1.499 70.452 68.868 0.142 0.000 0.936 400 T HN 0.096 nan 8.240 nan 0.000 0.457 401 E N 1.227 121.489 120.200 0.103 0.000 2.428 401 E HA 0.098 4.448 4.350 0.000 0.000 0.257 401 E C -0.977 175.659 176.600 0.059 0.000 1.197 401 E CA -0.189 56.132 56.400 -0.132 0.000 0.974 401 E CB 0.534 30.096 29.700 -0.230 0.000 0.976 401 E HN 0.554 nan 8.360 nan 0.000 0.463 402 Y N 0.971 121.230 120.300 -0.069 0.000 2.360 402 Y HA 0.280 4.830 4.550 0.000 0.000 0.337 402 Y C -2.264 173.613 175.900 -0.039 0.000 1.039 402 Y CA -2.831 55.263 58.100 -0.011 0.000 1.109 402 Y CB 1.273 39.746 38.460 0.021 0.000 1.201 402 Y HN 0.227 nan 8.280 nan 0.000 0.458 403 P HA 0.102 nan 4.420 nan 0.000 0.277 403 P C 0.259 177.311 177.300 -0.414 0.000 1.354 403 P CA 0.024 62.867 63.100 -0.428 0.000 0.891 403 P CB 0.686 32.136 31.700 -0.417 0.000 1.058 404 L N 3.030 124.112 121.223 -0.235 0.000 2.261 404 L HA -0.202 4.138 4.340 0.000 0.000 0.216 404 L C 2.236 179.002 176.870 -0.174 0.000 1.114 404 L CA 1.904 56.620 54.840 -0.207 0.000 0.777 404 L CB -0.984 40.855 42.059 -0.367 0.000 0.910 404 L HN 0.317 nan 8.230 nan 0.000 0.440 405 S N -1.101 114.494 115.700 -0.175 0.000 2.399 405 S HA -0.262 4.208 4.470 0.000 0.000 0.231 405 S C 2.180 176.706 174.600 -0.122 0.000 1.022 405 S CA 0.909 59.030 58.200 -0.131 0.000 0.983 405 S CB -0.552 62.577 63.200 -0.118 0.000 0.803 405 S HN 0.478 nan 8.310 nan 0.000 0.480 406 R N 0.781 121.174 120.500 -0.179 0.000 2.280 406 R HA 0.148 4.488 4.340 0.000 0.000 0.207 406 R C -0.283 175.986 176.300 -0.051 0.000 1.043 406 R CA 0.222 56.231 56.100 -0.152 0.000 1.006 406 R CB -0.183 29.936 30.300 -0.301 0.000 0.885 406 R HN 0.326 nan 8.270 nan 0.000 0.467 407 V N 2.015 121.912 119.914 -0.030 0.000 2.583 407 V HA -0.008 4.112 4.120 0.000 0.000 0.287 407 V C -0.063 176.032 176.094 0.001 0.000 1.051 407 V CA -0.415 61.898 62.300 0.021 0.000 1.010 407 V CB 1.397 33.225 31.823 0.009 0.000 0.988 407 V HN 0.086 nan 8.190 nan 0.000 0.478 408 D N 5.136 125.553 120.400 0.029 0.000 2.316 408 D HA 0.275 4.915 4.640 0.000 0.000 0.245 408 D C 0.307 176.648 176.300 0.068 0.000 1.171 408 D CA -0.123 53.914 54.000 0.063 0.000 0.856 408 D CB 0.321 41.200 40.800 0.131 0.000 1.090 408 D HN 0.534 nan 8.370 nan 0.000 0.476 409 L N 3.338 124.580 121.223 0.032 0.000 3.721 409 L HA -0.195 4.145 4.340 0.000 0.000 0.625 409 L C 0.877 177.739 176.870 -0.013 0.000 1.186 409 L CA 0.569 55.413 54.840 0.006 0.000 0.961 409 L CB -1.001 41.096 42.059 0.062 0.000 1.418 409 L HN 0.664 nan 8.230 nan 0.000 0.838 410 G N -0.975 107.792 108.800 -0.054 0.000 3.863 410 G HA2 0.218 4.178 3.960 0.000 0.000 0.290 410 G HA3 0.218 4.178 3.960 0.000 0.000 0.290 410 G C 0.656 175.490 174.900 -0.111 0.000 1.018 410 G CA 0.140 45.187 45.100 -0.088 0.000 0.824 410 G HN 0.430 nan 8.290 nan 0.000 0.507 411 D N 0.525 120.872 120.400 -0.087 0.000 2.149 411 D HA -0.203 4.437 4.640 0.000 0.000 0.194 411 D C 2.785 179.048 176.300 -0.061 0.000 1.001 411 D CA 1.830 55.782 54.000 -0.080 0.000 0.849 411 D CB -0.275 40.479 40.800 -0.078 0.000 0.939 411 D HN 0.480 nan 8.370 nan 0.000 0.449 412 c N -0.022 118.556 118.600 -0.036 0.000 2.422 412 c HA -0.013 4.557 4.570 0.000 0.000 0.279 412 c C 2.620 176.730 174.090 0.032 0.000 1.305 412 c CA -0.370 55.973 56.329 0.023 0.000 1.757 412 c CB -1.385 41.169 42.510 0.073 0.000 1.962 412 c HN 0.242 nan 8.230 nan 0.000 0.499 413 I N 2.350 122.849 120.570 -0.118 0.000 2.044 413 I HA -0.144 4.026 4.170 0.000 0.000 0.234 413 I C 3.077 179.134 176.117 -0.101 0.000 1.031 413 I CA 2.241 63.315 61.300 -0.376 0.000 1.305 413 I CB -1.308 36.331 38.000 -0.602 0.000 1.026 413 I HN 0.475 nan 8.210 nan 0.000 0.392 414 G N 0.285 109.028 108.800 -0.095 0.000 2.462 414 G HA2 -0.282 3.678 3.960 0.000 0.000 0.220 414 G HA3 -0.282 3.678 3.960 0.000 0.000 0.220 414 G C 1.701 176.652 174.900 0.085 0.000 1.121 414 G CA 0.757 45.885 45.100 0.046 0.000 0.758 414 G HN 0.330 nan 8.290 nan 0.000 0.559 415 K N 0.404 120.837 120.400 0.056 0.000 1.991 415 K HA -0.139 4.181 4.320 0.000 0.000 0.212 415 K C 2.068 178.736 176.600 0.114 0.000 1.049 415 K CA 1.789 58.118 56.287 0.070 0.000 0.932 415 K CB -0.149 32.383 32.500 0.053 0.000 0.717 415 K HN 0.206 nan 8.250 nan 0.000 0.441 416 D N 0.240 120.746 120.400 0.178 0.000 2.149 416 D HA -0.094 4.546 4.640 0.000 0.000 0.201 416 D C 1.851 178.295 176.300 0.239 0.000 0.972 416 D CA 1.062 55.191 54.000 0.214 0.000 0.835 416 D CB -0.385 40.596 40.800 0.303 0.000 0.966 416 D HN 0.301 nan 8.370 nan 0.000 0.476 417 A N 1.716 124.736 122.820 0.333 0.000 1.869 417 A HA -0.278 4.042 4.320 0.000 0.000 0.218 417 A C 2.247 179.932 177.584 0.169 0.000 1.203 417 A CA 1.867 54.088 52.037 0.306 0.000 0.638 417 A CB -0.685 18.526 19.000 0.351 0.000 0.831 417 A HN 0.101 nan 8.150 nan 0.000 0.450 418 R N -0.940 119.643 120.500 0.138 0.000 2.080 418 R HA -0.185 4.155 4.340 0.000 0.000 0.236 418 R C 2.172 178.515 176.300 0.072 0.000 1.137 418 R CA 1.694 57.845 56.100 0.086 0.000 0.943 418 R CB -0.536 29.807 30.300 0.071 0.000 0.846 418 R HN 0.700 nan 8.270 nan 0.000 0.431 419 D N 0.185 120.632 120.400 0.078 0.000 2.160 419 D HA -0.223 4.417 4.640 0.000 0.000 0.189 419 D C 1.673 178.007 176.300 0.057 0.000 1.003 419 D CA 2.225 56.263 54.000 0.062 0.000 0.846 419 D CB -0.179 40.659 40.800 0.064 0.000 0.949 419 D HN 0.274 nan 8.370 nan 0.000 0.446 420 A N -0.213 122.645 122.820 0.063 0.000 1.902 420 A HA -0.127 4.193 4.320 0.000 0.000 0.217 420 A C 2.531 180.146 177.584 0.051 0.000 1.181 420 A CA 1.918 53.982 52.037 0.045 0.000 0.623 420 A CB -0.652 18.369 19.000 0.035 0.000 0.818 420 A HN 0.386 nan 8.150 nan 0.000 0.443 421 M N -0.639 118.997 119.600 0.060 0.000 2.132 421 M HA -0.128 4.352 4.480 0.000 0.000 0.263 421 M C 1.441 177.788 176.300 0.079 0.000 1.065 421 M CA 1.483 56.819 55.300 0.060 0.000 1.122 421 M CB -0.450 32.170 32.600 0.033 0.000 1.365 421 M HN 0.313 nan 8.290 nan 0.000 0.411 422 D N -0.149 120.285 120.400 0.057 0.000 2.117 422 D HA -0.126 4.514 4.640 0.000 0.000 0.198 422 D C 1.981 178.337 176.300 0.094 0.000 0.982 422 D CA 1.125 55.157 54.000 0.055 0.000 0.828 422 D CB -0.326 40.492 40.800 0.030 0.000 0.967 422 D HN 0.292 nan 8.370 nan 0.000 0.464 423 R N 0.204 120.747 120.500 0.072 0.000 2.115 423 R HA 0.008 4.348 4.340 0.000 0.000 0.230 423 R C 2.364 178.700 176.300 0.061 0.000 1.111 423 R CA 0.556 56.691 56.100 0.059 0.000 0.976 423 R CB -0.049 30.272 30.300 0.035 0.000 0.870 423 R HN 0.157 nan 8.270 nan 0.000 0.445 424 I N -0.330 120.284 120.570 0.072 0.000 2.193 424 I HA -0.244 3.926 4.170 0.000 0.000 0.240 424 I C 2.039 178.198 176.117 0.070 0.000 1.084 424 I CA 0.960 62.286 61.300 0.044 0.000 1.365 424 I CB -0.347 37.680 38.000 0.046 0.000 1.064 424 I HN 0.145 nan 8.210 nan 0.000 0.410 425 F N 2.096 122.066 119.950 0.033 0.000 2.091 425 F HA -0.344 4.183 4.527 0.000 0.000 0.299 425 F C 2.511 178.329 175.800 0.030 0.000 1.103 425 F CA 1.813 59.866 58.000 0.089 0.000 1.228 425 F CB -0.239 38.816 39.000 0.093 0.000 0.984 425 F HN 0.039 nan 8.300 nan 0.000 0.477 426 A N -0.078 122.937 122.820 0.325 0.000 2.084 426 A HA -0.241 4.079 4.320 0.000 0.000 0.221 426 A C 2.255 179.849 177.584 0.017 0.000 1.161 426 A CA 2.016 54.169 52.037 0.194 0.000 0.653 426 A CB -0.786 18.301 19.000 0.145 0.000 0.802 426 A HN 0.597 nan 8.150 nan 0.000 0.457 427 R N -1.805 118.662 120.500 -0.056 0.000 2.102 427 R HA 0.094 4.434 4.340 0.000 0.000 0.208 427 R C 2.618 178.783 176.300 -0.225 0.000 1.131 427 R CA 1.057 57.089 56.100 -0.113 0.000 1.054 427 R CB -0.126 30.117 30.300 -0.095 0.000 0.954 427 R HN 0.415 nan 8.270 nan 0.000 0.465 428 R N 0.309 120.587 120.500 -0.369 0.000 2.052 428 R HA -0.030 4.310 4.340 0.000 0.000 0.224 428 R C 1.308 177.188 176.300 -0.700 0.000 1.165 428 R CA 1.677 57.389 56.100 -0.646 0.000 0.939 428 R CB -1.551 28.109 30.300 -1.067 0.000 0.834 428 R HN 0.430 nan 8.270 nan 0.000 0.435 429 Y N 1.350 121.367 120.300 -0.472 0.000 2.746 429 Y HA 0.129 4.679 4.550 0.000 0.000 0.312 429 Y C 1.629 176.886 175.900 -1.071 0.000 1.117 429 Y CA -0.446 57.282 58.100 -0.621 0.000 1.324 429 Y CB -0.095 37.998 38.460 -0.610 0.000 1.173 429 Y HN 0.486 nan 8.280 nan 0.000 0.529 430 N N 1.560 119.902 118.700 -0.597 0.000 2.247 430 N HA -0.231 4.509 4.740 0.000 0.000 0.189 430 N C 1.063 176.548 175.510 -0.042 0.000 1.009 430 N CA 1.775 54.663 53.050 -0.270 0.000 0.872 430 N CB -0.036 38.422 38.487 -0.047 0.000 0.980 430 N HN 0.405 nan 8.380 nan 0.000 0.436 431 A N -2.195 120.578 122.820 -0.078 0.000 2.716 431 A HA 0.304 4.624 4.320 0.000 0.000 0.252 431 A C 1.347 178.943 177.584 0.019 0.000 1.144 431 A CA -0.068 51.984 52.037 0.024 0.000 0.995 431 A CB -0.124 18.892 19.000 0.026 0.000 1.252 431 A HN 0.233 nan 8.150 nan 0.000 0.593 432 T N -0.271 114.299 114.554 0.026 0.000 2.939 432 T HA 0.180 4.530 4.350 0.000 0.000 0.254 432 T C 0.815 175.555 174.700 0.066 0.000 1.041 432 T CA 1.425 63.594 62.100 0.116 0.000 1.142 432 T CB -0.134 68.919 68.868 0.308 0.000 0.874 432 T HN 0.604 nan 8.240 nan 0.000 0.452 433 H N -1.210 117.860 119.070 0.001 0.000 3.024 433 H HA 0.760 5.316 4.556 0.000 0.000 0.305 433 H C -0.758 174.662 175.328 0.153 0.000 1.506 433 H CA -1.092 54.953 56.048 -0.005 0.000 1.324 433 H CB 1.109 30.748 29.762 -0.206 0.000 1.925 433 H HN 0.003 nan 8.280 nan 0.000 0.661 434 I N 0.323 121.062 120.570 0.282 0.000 2.722 434 I HA 0.245 4.415 4.170 0.000 0.000 0.295 434 I C -0.770 175.415 176.117 0.113 0.000 1.161 434 I CA -0.997 60.430 61.300 0.211 0.000 1.032 434 I CB 2.411 40.411 38.000 0.001 0.000 1.244 434 I HN 0.242 nan 8.210 nan 0.000 0.421 435 K N 3.140 123.542 120.400 0.004 0.000 2.319 435 K HA 0.334 4.654 4.320 0.000 0.000 0.265 435 K C -0.611 175.975 176.600 -0.022 0.000 1.000 435 K CA -0.287 55.971 56.287 -0.049 0.000 0.943 435 K CB 1.086 33.493 32.500 -0.154 0.000 0.950 435 K HN 0.278 nan 8.250 nan 0.000 0.485 436 V N 2.465 122.394 119.914 0.025 0.000 2.271 436 V HA 0.321 4.441 4.120 0.000 0.000 0.259 436 V C 0.445 176.553 176.094 0.024 0.000 1.030 436 V CA 0.068 62.450 62.300 0.137 0.000 0.957 436 V CB -0.287 31.619 31.823 0.139 0.000 1.186 436 V HN 1.143 nan 8.190 nan 0.000 0.471 437 G N 2.306 111.120 108.800 0.024 0.000 2.472 437 G HA2 -0.100 3.860 3.960 0.000 0.000 0.205 437 G HA3 -0.100 3.860 3.960 0.000 0.000 0.205 437 G C -0.896 173.974 174.900 -0.051 0.000 1.270 437 G CA -0.689 44.335 45.100 -0.127 0.000 0.974 437 G HN 0.375 nan 8.290 nan 0.000 0.542 438 Q N 0.595 120.364 119.800 -0.053 0.000 2.235 438 Q HA 0.535 4.875 4.340 0.000 0.000 0.256 438 Q C -2.210 173.766 176.000 -0.040 0.000 0.951 438 Q CA -1.526 54.265 55.803 -0.021 0.000 0.890 438 Q CB 1.250 29.999 28.738 0.018 0.000 1.279 438 Q HN 0.354 nan 8.270 nan 0.000 0.444 439 P HA -0.102 nan 4.420 nan 0.000 0.266 439 P C -0.793 176.370 177.300 -0.228 0.000 1.180 439 P CA 0.768 63.773 63.100 -0.158 0.000 0.765 439 P CB 0.442 32.053 31.700 -0.148 0.000 0.806 440 Q N 0.982 120.571 119.800 -0.352 0.000 2.484 440 Q HA 0.596 4.936 4.340 0.000 0.000 0.285 440 Q C -1.283 174.359 176.000 -0.597 0.000 1.097 440 Q CA -0.722 54.908 55.803 -0.289 0.000 0.802 440 Q CB 1.871 30.623 28.738 0.024 0.000 1.444 440 Q HN 0.364 nan 8.270 nan 0.000 0.429 441 Y N 0.157 120.312 120.300 -0.241 0.000 2.346 441 Y HA 0.496 5.046 4.550 0.000 0.000 0.332 441 Y C -1.297 174.422 175.900 -0.302 0.000 0.985 441 Y CA -0.778 57.241 58.100 -0.136 0.000 1.112 441 Y CB 1.348 39.785 38.460 -0.038 0.000 1.170 441 Y HN 0.490 nan 8.280 nan 0.000 0.447 442 Y N 2.424 122.814 120.300 0.150 0.000 2.536 442 Y HA 0.645 5.195 4.550 0.000 0.000 0.347 442 Y C -1.054 174.850 175.900 0.005 0.000 1.000 442 Y CA -1.407 56.770 58.100 0.129 0.000 1.051 442 Y CB 1.767 40.294 38.460 0.111 0.000 1.259 442 Y HN 0.470 nan 8.280 nan 0.000 0.468 443 L N 2.469 123.788 121.223 0.160 0.000 2.298 443 L HA 0.889 5.229 4.340 0.000 0.000 0.284 443 L C -0.420 176.524 176.870 0.123 0.000 1.013 443 L CA -0.578 54.252 54.840 -0.015 0.000 0.824 443 L CB 0.467 42.346 42.059 -0.299 0.000 1.221 443 L HN 0.754 nan 8.230 nan 0.000 0.418 444 A N 3.898 126.815 122.820 0.161 0.000 2.282 444 A HA 0.603 4.923 4.320 0.000 0.000 0.319 444 A C -0.279 177.517 177.584 0.353 0.000 1.121 444 A CA -0.806 51.417 52.037 0.309 0.000 0.836 444 A CB 0.324 19.574 19.000 0.418 0.000 1.146 444 A HN 0.750 nan 8.150 nan 0.000 0.494 445 N N 0.286 119.212 118.700 0.377 0.000 2.412 445 N HA 0.326 5.066 4.740 0.000 0.000 0.258 445 N C 1.056 176.891 175.510 0.542 0.000 1.236 445 N CA 1.646 54.886 53.050 0.317 0.000 0.882 445 N CB 0.829 39.448 38.487 0.221 0.000 1.066 445 N HN 1.324 nan 8.380 nan 0.000 0.465 446 G N 0.402 109.404 108.800 0.336 0.000 2.218 446 G HA2 -0.141 3.819 3.960 0.000 0.000 0.216 446 G HA3 -0.141 3.819 3.960 0.000 0.000 0.216 446 G C 0.612 175.517 174.900 0.008 0.000 0.994 446 G CA 0.196 45.572 45.100 0.460 0.000 0.637 446 G HN 1.307 nan 8.290 nan 0.000 0.505 447 G N -0.735 108.092 108.800 0.044 0.000 2.225 447 G HA2 -0.108 3.852 3.960 0.000 0.000 0.264 447 G HA3 -0.108 3.852 3.960 0.000 0.000 0.264 447 G C 0.053 174.778 174.900 -0.292 0.000 1.060 447 G CA 0.380 45.387 45.100 -0.156 0.000 0.833 447 G HN 1.261 nan 8.290 nan 0.000 0.498 448 F N -0.672 119.305 119.950 0.045 0.000 2.405 448 F HA 0.579 5.106 4.527 0.000 0.000 0.355 448 F C 0.562 176.309 175.800 -0.088 0.000 1.121 448 F CA -1.237 56.754 58.000 -0.014 0.000 1.112 448 F CB 1.562 40.541 39.000 -0.035 0.000 1.126 448 F HN 0.079 nan 8.300 nan 0.000 0.481 449 L N 5.825 127.108 121.223 0.101 0.000 2.278 449 L HA 0.418 4.758 4.340 0.000 0.000 0.287 449 L C -0.468 176.477 176.870 0.124 0.000 1.072 449 L CA 0.033 54.907 54.840 0.056 0.000 0.819 449 L CB -0.113 41.959 42.059 0.020 0.000 1.176 449 L HN 0.415 nan 8.230 nan 0.000 0.435 450 I N 5.846 126.417 120.570 0.002 0.000 2.307 450 I HA 0.417 4.587 4.170 0.000 0.000 0.289 450 I C 0.320 176.477 176.117 0.066 0.000 1.021 450 I CA -0.534 60.710 61.300 -0.093 0.000 1.224 450 I CB 1.233 38.903 38.000 -0.550 0.000 1.376 450 I HN 0.716 nan 8.210 nan 0.000 0.470 451 A N 6.940 129.837 122.820 0.128 0.000 2.276 451 A HA 0.491 4.811 4.320 0.000 0.000 0.300 451 A C -1.211 176.390 177.584 0.028 0.000 1.235 451 A CA -0.133 51.867 52.037 -0.062 0.000 0.867 451 A CB 0.267 19.280 19.000 0.022 0.000 1.137 451 A HN 0.621 nan 8.150 nan 0.000 0.527 452 Y N 1.406 121.622 120.300 -0.140 0.000 2.409 452 Y HA 0.541 5.091 4.550 0.000 0.000 0.343 452 Y C -0.187 175.695 175.900 -0.029 0.000 0.973 452 Y CA -0.816 57.276 58.100 -0.013 0.000 1.064 452 Y CB 2.245 40.781 38.460 0.126 0.000 1.207 452 Y HN 0.659 nan 8.280 nan 0.000 0.452 453 Q N 7.772 127.229 119.800 -0.572 0.000 2.523 453 Q HA 0.493 4.833 4.340 0.000 0.000 0.251 453 Q C -2.904 172.717 176.000 -0.631 0.000 1.033 453 Q CA -2.470 53.075 55.803 -0.430 0.000 0.746 453 Q CB 1.306 29.905 28.738 -0.233 0.000 1.189 453 Q HN 0.297 nan 8.270 nan 0.000 0.508 454 P HA -0.031 nan 4.420 nan 0.000 0.261 454 P C -0.831 176.377 177.300 -0.153 0.000 1.183 454 P CA 0.565 63.512 63.100 -0.254 0.000 0.761 454 P CB 0.535 32.234 31.700 -0.001 0.000 0.785 455 L N 3.552 124.692 121.223 -0.139 0.000 2.421 455 L HA 0.727 5.067 4.340 0.000 0.000 0.267 455 L C 0.084 176.968 176.870 0.024 0.000 1.036 455 L CA -1.032 53.750 54.840 -0.096 0.000 0.829 455 L CB 0.840 42.713 42.059 -0.309 0.000 1.437 455 L HN 0.231 nan 8.230 nan 0.000 0.488 456 L N -0.357 120.929 121.223 0.105 0.000 2.666 456 L HA 0.280 4.620 4.340 0.000 0.000 0.259 456 L C -0.681 176.227 176.870 0.064 0.000 0.919 456 L CA -0.050 54.863 54.840 0.121 0.000 0.927 456 L CB 2.151 44.261 42.059 0.086 0.000 1.423 456 L HN 0.562 nan 8.230 nan 0.000 0.426 457 S N 2.550 118.197 115.700 -0.088 0.000 2.562 457 S HA 0.178 4.648 4.470 0.000 0.000 0.281 457 S C 1.067 175.544 174.600 -0.205 0.000 1.333 457 S CA -0.260 57.673 58.200 -0.445 0.000 1.052 457 S CB 0.590 63.571 63.200 -0.364 0.000 0.884 457 S HN 0.810 nan 8.310 nan 0.000 0.506 458 N N 3.099 121.674 118.700 -0.207 0.000 2.272 458 N HA -0.106 4.634 4.740 0.000 0.000 0.185 458 N C 1.595 177.065 175.510 -0.067 0.000 1.014 458 N CA 1.478 54.471 53.050 -0.094 0.000 0.870 458 N CB -0.799 37.645 38.487 -0.071 0.000 0.975 458 N HN 0.634 nan 8.380 nan 0.000 0.433 459 T N 1.680 116.183 114.554 -0.086 0.000 2.607 459 T HA -0.070 4.280 4.350 0.000 0.000 0.267 459 T C 1.576 176.263 174.700 -0.021 0.000 1.049 459 T CA 0.882 62.953 62.100 -0.047 0.000 1.162 459 T CB -0.176 68.662 68.868 -0.050 0.000 0.863 459 T HN 0.217 nan 8.240 nan 0.000 0.424 460 L N 1.143 122.356 121.223 -0.016 0.000 2.805 460 L HA 0.389 4.729 4.340 0.000 0.000 0.237 460 L C 2.238 179.128 176.870 0.035 0.000 1.252 460 L CA -0.391 54.458 54.840 0.014 0.000 1.064 460 L CB -0.517 41.557 42.059 0.024 0.000 1.361 460 L HN 0.187 nan 8.230 nan 0.000 0.474 461 A N 0.338 123.171 122.820 0.022 0.000 2.139 461 A HA -0.205 4.115 4.320 0.000 0.000 0.221 461 A C 2.044 179.681 177.584 0.089 0.000 1.159 461 A CA 1.499 53.561 52.037 0.040 0.000 0.662 461 A CB -0.163 18.843 19.000 0.010 0.000 0.796 461 A HN 0.514 nan 8.150 nan 0.000 0.463 462 E N -0.399 119.843 120.200 0.070 0.000 2.204 462 E HA -0.064 4.286 4.350 0.000 0.000 0.194 462 E C 1.554 178.211 176.600 0.095 0.000 0.989 462 E CA 0.752 57.197 56.400 0.075 0.000 0.824 462 E CB -0.279 29.449 29.700 0.048 0.000 0.756 462 E HN 0.600 nan 8.360 nan 0.000 0.477 463 L N 0.239 121.524 121.223 0.103 0.000 2.599 463 L HA 0.029 4.369 4.340 0.000 0.000 0.230 463 L C 1.751 178.713 176.870 0.154 0.000 1.141 463 L CA 0.146 55.047 54.840 0.102 0.000 0.877 463 L CB -0.112 41.998 42.059 0.086 0.000 1.009 463 L HN 0.228 nan 8.230 nan 0.000 0.447 464 Y N -0.540 119.789 120.300 0.049 0.000 2.069 464 Y HA -0.403 4.147 4.550 0.000 0.000 0.278 464 Y C 2.311 178.263 175.900 0.086 0.000 1.175 464 Y CA 2.042 60.184 58.100 0.069 0.000 1.134 464 Y CB -0.082 38.413 38.460 0.059 0.000 0.965 464 Y HN -0.045 nan 8.280 nan 0.000 0.498 465 V N 0.890 120.703 119.914 -0.168 0.000 2.282 465 V HA -0.368 3.752 4.120 0.000 0.000 0.249 465 V C 2.456 178.466 176.094 -0.139 0.000 1.057 465 V CA 2.367 64.495 62.300 -0.286 0.000 1.032 465 V CB -0.826 30.910 31.823 -0.145 0.000 0.645 465 V HN 0.386 nan 8.190 nan 0.000 0.447 466 R N 0.434 120.912 120.500 -0.036 0.000 2.070 466 R HA -0.143 4.197 4.340 0.000 0.000 0.232 466 R C 2.198 178.521 176.300 0.039 0.000 1.138 466 R CA 1.811 57.916 56.100 0.007 0.000 0.936 466 R CB -0.900 29.416 30.300 0.026 0.000 0.839 466 R HN 0.470 nan 8.270 nan 0.000 0.429 467 E N 0.080 120.320 120.200 0.067 0.000 2.048 467 E HA -0.289 4.061 4.350 0.000 0.000 0.202 467 E C 2.018 178.682 176.600 0.105 0.000 1.021 467 E CA 2.012 58.472 56.400 0.101 0.000 0.825 467 E CB -0.861 28.925 29.700 0.142 0.000 0.756 467 E HN 0.643 nan 8.360 nan 0.000 0.454 468 H N 0.319 119.373 119.070 -0.027 0.000 2.325 468 H HA -0.142 4.414 4.556 0.000 0.000 0.293 468 H C 2.166 177.482 175.328 -0.021 0.000 1.106 468 H CA 1.781 57.799 56.048 -0.049 0.000 1.247 468 H CB -0.107 29.489 29.762 -0.277 0.000 1.359 468 H HN 0.060 nan 8.280 nan 0.000 0.488 469 L N 0.773 122.094 121.223 0.162 0.000 2.141 469 L HA -0.118 4.222 4.340 0.000 0.000 0.209 469 L C 2.236 179.162 176.870 0.094 0.000 1.094 469 L CA 1.602 56.514 54.840 0.119 0.000 0.763 469 L CB -0.690 41.401 42.059 0.053 0.000 0.908 469 L HN 0.388 nan 8.230 nan 0.000 0.437 470 R N -0.668 119.885 120.500 0.088 0.000 2.275 470 R HA -0.059 4.281 4.340 0.000 0.000 0.199 470 R C 1.657 178.027 176.300 0.117 0.000 0.989 470 R CA 0.354 56.512 56.100 0.097 0.000 1.016 470 R CB 0.422 30.780 30.300 0.098 0.000 0.918 470 R HN 0.398 nan 8.270 nan 0.000 0.473 471 E N -0.070 120.184 120.200 0.089 0.000 2.127 471 E HA -0.145 4.205 4.350 0.000 0.000 0.191 471 E C 1.545 178.186 176.600 0.069 0.000 0.964 471 E CA 0.554 57.008 56.400 0.090 0.000 0.832 471 E CB -0.055 29.660 29.700 0.025 0.000 0.790 471 E HN 0.346 nan 8.360 nan 0.000 0.465 472 Q N 1.462 121.279 119.800 0.029 0.000 2.364 472 Q HA -0.097 4.243 4.340 0.000 0.000 0.207 472 Q C 1.942 177.986 176.000 0.072 0.000 0.970 472 Q CA 1.360 57.190 55.803 0.045 0.000 0.888 472 Q CB 0.041 28.828 28.738 0.081 0.000 0.951 472 Q HN 0.196 nan 8.270 nan 0.000 0.469 473 S N -0.049 115.702 115.700 0.086 0.000 2.402 473 S HA -0.136 4.334 4.470 0.000 0.000 0.229 473 S C 1.679 176.337 174.600 0.097 0.000 1.021 473 S CA 0.758 59.009 58.200 0.085 0.000 0.974 473 S CB -0.233 63.019 63.200 0.086 0.000 0.800 473 S HN 0.442 nan 8.310 nan 0.000 0.484 474 R N 1.339 121.918 120.500 0.132 0.000 2.148 474 R HA 0.144 4.484 4.340 0.000 0.000 0.223 474 R C 0.192 176.550 176.300 0.097 0.000 1.088 474 R CA 0.532 56.730 56.100 0.163 0.000 0.985 474 R CB -0.242 30.230 30.300 0.286 0.000 0.880 474 R HN 0.254 nan 8.270 nan 0.000 0.451 475 K N 2.660 123.102 120.400 0.070 0.000 2.447 475 K HA 0.086 4.406 4.320 0.000 0.000 0.281 475 K C -1.962 174.658 176.600 0.033 0.000 1.031 475 K CA -0.821 55.490 56.287 0.040 0.000 1.019 475 K CB 0.293 32.818 32.500 0.041 0.000 0.918 475 K HN 0.062 nan 8.250 nan 0.000 0.476 493 E N 4.681 124.904 120.200 0.038 0.000 2.407 493 E HA 0.690 5.040 4.350 0.000 0.000 0.279 493 E C -1.283 175.328 176.600 0.019 0.000 1.012 493 E CA -1.208 55.214 56.400 0.036 0.000 0.800 493 E CB 2.102 31.827 29.700 0.041 0.000 1.276 493 E HN 0.439 nan 8.360 nan 0.000 0.452 494 R N 1.354 121.836 120.500 -0.030 0.000 2.428 494 R HA 0.499 4.839 4.340 0.000 0.000 0.294 494 R C -0.405 175.850 176.300 -0.076 0.000 1.000 494 R CA -0.740 55.303 56.100 -0.094 0.000 0.960 494 R CB 1.089 31.255 30.300 -0.224 0.000 1.076 494 R HN 0.523 nan 8.270 nan 0.000 0.475 495 I N 2.733 123.248 120.570 -0.091 0.000 2.365 495 I HA 0.210 4.380 4.170 0.000 0.000 0.291 495 I C 0.632 176.667 176.117 -0.135 0.000 1.004 495 I CA -0.201 61.034 61.300 -0.108 0.000 1.311 495 I CB 1.385 39.301 38.000 -0.140 0.000 1.401 495 I HN 0.508 nan 8.210 nan 0.000 0.491 496 K N 4.121 124.443 120.400 -0.129 0.000 2.183 496 K HA 0.634 4.955 4.320 0.000 0.000 0.274 496 K C -0.337 176.150 176.600 -0.188 0.000 1.009 496 K CA -0.569 55.634 56.287 -0.141 0.000 0.888 496 K CB 1.074 33.511 32.500 -0.104 0.000 1.078 496 K HN 0.643 nan 8.250 nan 0.000 0.459 497 T N 1.492 115.905 114.554 -0.235 0.000 2.797 497 T HA 0.339 4.689 4.350 0.000 0.000 0.279 497 T C 0.416 174.967 174.700 -0.247 0.000 0.991 497 T CA -0.364 61.517 62.100 -0.365 0.000 0.979 497 T CB 1.474 70.020 68.868 -0.537 0.000 0.943 497 T HN 0.731 nan 8.240 nan 0.000 0.444 498 T N 1.272 115.716 114.554 -0.183 0.000 2.855 498 T HA 0.084 4.434 4.350 0.000 0.000 0.314 498 T C 1.434 176.119 174.700 -0.025 0.000 1.077 498 T CA -0.219 61.857 62.100 -0.039 0.000 1.095 498 T CB 0.318 69.242 68.868 0.094 0.000 0.987 498 T HN 0.516 nan 8.240 nan 0.000 0.546 499 S N 1.444 117.152 115.700 0.013 0.000 2.458 499 S HA 0.134 4.604 4.470 0.000 0.000 0.223 499 S C 0.860 175.508 174.600 0.079 0.000 1.019 499 S CA -0.001 58.207 58.200 0.012 0.000 0.937 499 S CB 0.136 63.339 63.200 0.005 0.000 0.788 499 S HN 0.666 nan 8.310 nan 0.000 0.511 500 S N 0.845 116.631 115.700 0.144 0.000 2.442 500 S HA 0.432 4.902 4.470 0.000 0.000 0.297 500 S C 0.182 174.954 174.600 0.286 0.000 1.131 500 S CA -0.579 57.729 58.200 0.181 0.000 1.092 500 S CB 0.792 64.089 63.200 0.162 0.000 0.998 500 S HN 0.191 nan 8.310 nan 0.000 0.478 501 I N 4.647 125.310 120.570 0.155 0.000 3.875 501 I HA 0.331 4.501 4.170 0.000 0.000 0.329 501 I C 1.460 177.460 176.117 -0.196 0.000 1.295 501 I CA 0.371 61.651 61.300 -0.034 0.000 1.129 501 I CB -0.272 37.719 38.000 -0.015 0.000 1.008 501 I HN 0.627 nan 8.210 nan 0.000 0.413 502 E N 0.680 120.884 120.200 0.007 0.000 2.058 502 E HA -0.272 4.078 4.350 0.000 0.000 0.194 502 E C 1.989 178.560 176.600 -0.049 0.000 0.997 502 E CA 2.163 58.559 56.400 -0.007 0.000 0.801 502 E CB -0.596 29.145 29.700 0.068 0.000 0.746 502 E HN 0.650 nan 8.360 nan 0.000 0.450 503 F N -0.533 119.403 119.950 -0.023 0.000 2.161 503 F HA -0.087 4.440 4.527 0.000 0.000 0.300 503 F C 2.056 177.818 175.800 -0.063 0.000 1.089 503 F CA 1.081 59.063 58.000 -0.031 0.000 1.282 503 F CB -0.803 38.192 39.000 -0.008 0.000 1.010 503 F HN 0.004 nan 8.300 nan 0.000 0.485 504 A N 1.249 123.389 122.820 -1.133 0.000 1.930 504 A HA -0.071 4.249 4.320 0.000 0.000 0.217 504 A C 2.381 179.708 177.584 -0.430 0.000 1.175 504 A CA 1.284 52.790 52.037 -0.886 0.000 0.627 504 A CB -0.678 17.533 19.000 -1.315 0.000 0.815 504 A HN 0.474 nan 8.150 nan 0.000 0.443 505 R N -0.590 119.705 120.500 -0.342 0.000 2.090 505 R HA 0.044 4.384 4.340 0.000 0.000 0.228 505 R C 2.031 178.323 176.300 -0.013 0.000 1.110 505 R CA 1.068 57.072 56.100 -0.160 0.000 0.973 505 R CB -0.494 29.713 30.300 -0.155 0.000 0.869 505 R HN 0.474 nan 8.270 nan 0.000 0.440 506 L N 0.641 121.845 121.223 -0.032 0.000 1.989 506 L HA -0.255 4.085 4.340 0.000 0.000 0.211 506 L C 2.676 179.586 176.870 0.066 0.000 1.071 506 L CA 1.438 56.294 54.840 0.027 0.000 0.749 506 L CB -0.424 41.650 42.059 0.025 0.000 0.890 506 L HN 0.151 nan 8.230 nan 0.000 0.431 507 Q N -0.181 119.639 119.800 0.033 0.000 1.985 507 Q HA -0.293 4.047 4.340 0.000 0.000 0.207 507 Q C 2.011 178.073 176.000 0.103 0.000 0.996 507 Q CA 2.389 58.229 55.803 0.061 0.000 0.851 507 Q CB -0.656 28.101 28.738 0.031 0.000 0.921 507 Q HN 0.382 nan 8.270 nan 0.000 0.418 508 F N 0.293 120.186 119.950 -0.095 0.000 2.063 508 F HA -0.327 4.200 4.527 0.000 0.000 0.298 508 F C 2.036 177.772 175.800 -0.106 0.000 1.109 508 F CA 2.320 60.239 58.000 -0.136 0.000 1.212 508 F CB -0.918 37.924 39.000 -0.263 0.000 0.973 508 F HN 0.103 nan 8.300 nan 0.000 0.480 509 T N -0.209 114.354 114.554 0.014 0.000 2.569 509 T HA -0.315 4.035 4.350 0.000 0.000 0.263 509 T C 1.524 176.195 174.700 -0.049 0.000 1.074 509 T CA 1.978 64.039 62.100 -0.065 0.000 1.176 509 T CB -1.082 67.823 68.868 0.061 0.000 0.863 509 T HN 0.526 nan 8.240 nan 0.000 0.410 510 Y N 2.746 123.008 120.300 -0.063 0.000 2.102 510 Y HA -0.292 4.258 4.550 0.000 0.000 0.280 510 Y C 2.262 178.138 175.900 -0.042 0.000 1.178 510 Y CA 1.848 59.926 58.100 -0.037 0.000 1.146 510 Y CB -0.682 37.770 38.460 -0.013 0.000 0.968 510 Y HN 0.166 nan 8.280 nan 0.000 0.504 511 N N -0.697 118.128 118.700 0.209 0.000 2.069 511 N HA -0.196 4.544 4.740 0.000 0.000 0.191 511 N C 1.613 177.105 175.510 -0.031 0.000 1.031 511 N CA 1.938 55.057 53.050 0.114 0.000 0.852 511 N CB -0.718 37.839 38.487 0.117 0.000 1.018 511 N HN 0.468 nan 8.380 nan 0.000 0.423 512 H N 0.055 118.941 119.070 -0.306 0.000 2.387 512 H HA 0.115 4.671 4.556 0.000 0.000 0.299 512 H C 1.997 177.195 175.328 -0.217 0.000 1.090 512 H CA 0.930 56.780 56.048 -0.331 0.000 1.332 512 H CB -0.206 29.229 29.762 -0.544 0.000 1.386 512 H HN 0.218 nan 8.280 nan 0.000 0.516 513 I N -0.130 120.375 120.570 -0.109 0.000 2.193 513 I HA -0.258 3.912 4.170 0.000 0.000 0.240 513 I C 2.598 178.626 176.117 -0.148 0.000 1.084 513 I CA 1.179 62.404 61.300 -0.125 0.000 1.365 513 I CB -0.385 37.519 38.000 -0.160 0.000 1.064 513 I HN 0.295 nan 8.210 nan 0.000 0.410 514 Q N 1.533 121.166 119.800 -0.279 0.000 2.096 514 Q HA -0.318 4.022 4.340 0.000 0.000 0.208 514 Q C 2.377 178.301 176.000 -0.127 0.000 0.993 514 Q CA 2.105 57.751 55.803 -0.261 0.000 0.862 514 Q CB -0.174 28.378 28.738 -0.309 0.000 0.915 514 Q HN 0.339 nan 8.270 nan 0.000 0.416 515 R N -0.945 119.489 120.500 -0.109 0.000 2.136 515 R HA -0.292 4.048 4.340 0.000 0.000 0.242 515 R C 2.348 178.619 176.300 -0.049 0.000 1.131 515 R CA 2.331 58.378 56.100 -0.089 0.000 0.937 515 R CB -0.527 29.690 30.300 -0.139 0.000 0.863 515 R HN 0.461 nan 8.270 nan 0.000 0.435 516 H N -0.231 118.763 119.070 -0.126 0.000 2.253 516 H HA -0.105 4.451 4.556 0.000 0.000 0.296 516 H C 2.027 177.305 175.328 -0.084 0.000 1.074 516 H CA 2.349 58.339 56.048 -0.097 0.000 1.263 516 H CB -0.550 29.157 29.762 -0.092 0.000 1.363 516 H HN 0.051 nan 8.280 nan 0.000 0.489 517 V N 1.091 120.980 119.914 -0.042 0.000 2.223 517 V HA -0.432 3.688 4.120 0.000 0.000 0.253 517 V C 2.367 178.381 176.094 -0.133 0.000 1.061 517 V CA 2.390 64.630 62.300 -0.100 0.000 1.035 517 V CB -0.734 31.045 31.823 -0.074 0.000 0.653 517 V HN 0.590 nan 8.190 nan 0.000 0.454 518 N N 0.232 118.870 118.700 -0.103 0.000 2.060 518 N HA -0.216 4.524 4.740 0.000 0.000 0.195 518 N C 1.656 177.103 175.510 -0.105 0.000 1.028 518 N CA 2.176 55.173 53.050 -0.088 0.000 0.861 518 N CB -0.983 37.465 38.487 -0.065 0.000 1.029 518 N HN 0.779 nan 8.380 nan 0.000 0.428 519 D N 1.683 122.006 120.400 -0.129 0.000 2.095 519 D HA -0.139 4.501 4.640 0.000 0.000 0.192 519 D C 2.013 178.215 176.300 -0.163 0.000 0.990 519 D CA 2.198 56.119 54.000 -0.133 0.000 0.836 519 D CB -0.469 40.251 40.800 -0.133 0.000 0.979 519 D HN 0.013 nan 8.370 nan 0.000 0.447 520 M N 0.134 119.568 119.600 -0.276 0.000 2.106 520 M HA -0.013 4.467 4.480 0.000 0.000 0.259 520 M C 2.670 178.882 176.300 -0.148 0.000 1.068 520 M CA 0.970 56.121 55.300 -0.249 0.000 1.100 520 M CB -1.154 31.210 32.600 -0.394 0.000 1.351 520 M HN 0.330 nan 8.290 nan 0.000 0.404 521 L N -0.522 120.618 121.223 -0.139 0.000 1.994 521 L HA -0.145 4.195 4.340 0.000 0.000 0.208 521 L C 2.742 179.569 176.870 -0.071 0.000 1.071 521 L CA 1.512 56.294 54.840 -0.096 0.000 0.745 521 L CB -1.509 40.495 42.059 -0.091 0.000 0.892 521 L HN 0.388 nan 8.230 nan 0.000 0.431 522 G N -0.027 108.732 108.800 -0.068 0.000 2.574 522 G HA2 -0.316 3.644 3.960 0.000 0.000 0.220 522 G HA3 -0.316 3.644 3.960 0.000 0.000 0.220 522 G C 1.671 176.553 174.900 -0.030 0.000 1.173 522 G CA 0.871 45.945 45.100 -0.044 0.000 0.772 522 G HN 0.302 nan 8.290 nan 0.000 0.585 523 R N -0.280 120.195 120.500 -0.041 0.000 2.117 523 R HA -0.068 4.272 4.340 0.000 0.000 0.243 523 R C 2.656 178.955 176.300 -0.001 0.000 1.143 523 R CA 1.328 57.413 56.100 -0.024 0.000 0.968 523 R CB -0.711 29.566 30.300 -0.038 0.000 0.863 523 R HN 0.358 nan 8.270 nan 0.000 0.444 524 V N 1.057 120.967 119.914 -0.006 0.000 2.307 524 V HA -0.221 3.899 4.120 0.000 0.000 0.245 524 V C 2.544 178.681 176.094 0.072 0.000 1.045 524 V CA 1.813 64.129 62.300 0.028 0.000 1.024 524 V CB -0.741 31.079 31.823 -0.006 0.000 0.651 524 V HN 0.395 nan 8.190 nan 0.000 0.449 525 A N 0.079 122.914 122.820 0.026 0.000 1.903 525 A HA -0.255 4.065 4.320 0.000 0.000 0.219 525 A C 2.168 179.827 177.584 0.125 0.000 1.191 525 A CA 2.355 54.421 52.037 0.048 0.000 0.638 525 A CB -0.602 18.399 19.000 0.001 0.000 0.823 525 A HN 0.521 nan 8.150 nan 0.000 0.451 526 I N -0.553 120.062 120.570 0.076 0.000 2.113 526 I HA -0.280 3.890 4.170 0.000 0.000 0.238 526 I C 3.024 179.188 176.117 0.079 0.000 1.070 526 I CA 1.135 62.475 61.300 0.067 0.000 1.332 526 I CB -0.618 37.400 38.000 0.030 0.000 1.044 526 I HN 0.366 nan 8.210 nan 0.000 0.402 527 A N 0.759 123.621 122.820 0.070 0.000 1.997 527 A HA -0.283 4.037 4.320 0.000 0.000 0.221 527 A C 2.234 179.868 177.584 0.083 0.000 1.172 527 A CA 1.750 53.817 52.037 0.050 0.000 0.645 527 A CB -1.184 17.849 19.000 0.055 0.000 0.813 527 A HN 0.751 nan 8.150 nan 0.000 0.454 528 W N -0.090 121.188 121.300 -0.036 0.000 2.381 528 W HA -0.244 4.416 4.660 0.000 0.000 0.323 528 W C 2.653 179.157 176.519 -0.025 0.000 1.194 528 W CA 1.819 59.148 57.345 -0.028 0.000 1.296 528 W CB -0.895 28.551 29.460 -0.024 0.000 1.175 528 W HN 0.482 nan 8.180 nan 0.000 0.465 529 c N 1.953 120.668 118.600 0.191 0.000 2.318 529 c HA -0.308 4.262 4.570 0.000 0.000 0.272 529 c C 2.495 176.562 174.090 -0.038 0.000 1.156 529 c CA 2.543 58.915 56.329 0.072 0.000 1.783 529 c CB -1.310 41.257 42.510 0.096 0.000 2.023 529 c HN 0.508 nan 8.230 nan 0.000 0.437 530 E N -0.064 120.110 120.200 -0.042 0.000 2.065 530 E HA -0.293 4.058 4.350 0.000 0.000 0.201 530 E C 2.019 178.501 176.600 -0.197 0.000 1.016 530 E CA 1.722 58.060 56.400 -0.104 0.000 0.818 530 E CB -0.526 29.080 29.700 -0.157 0.000 0.749 530 E HN 0.677 nan 8.360 nan 0.000 0.453 531 L N 1.451 122.527 121.223 -0.245 0.000 1.997 531 L HA -0.315 4.025 4.340 0.000 0.000 0.216 531 L C 2.307 179.049 176.870 -0.213 0.000 1.074 531 L CA 1.900 56.576 54.840 -0.273 0.000 0.763 531 L CB -0.411 41.444 42.059 -0.340 0.000 0.890 531 L HN 0.111 nan 8.230 nan 0.000 0.434 532 Q N -0.354 119.275 119.800 -0.285 0.000 2.002 532 Q HA -0.204 4.136 4.340 0.000 0.000 0.204 532 Q C 2.092 178.070 176.000 -0.037 0.000 0.988 532 Q CA 1.838 57.519 55.803 -0.203 0.000 0.843 532 Q CB -1.074 27.524 28.738 -0.234 0.000 0.908 532 Q HN 0.600 nan 8.270 nan 0.000 0.420 533 N N 0.588 119.298 118.700 0.016 0.000 2.049 533 N HA -0.198 4.542 4.740 0.000 0.000 0.198 533 N C 1.744 177.351 175.510 0.161 0.000 1.030 533 N CA 1.718 54.828 53.050 0.101 0.000 0.870 533 N CB -0.702 37.877 38.487 0.154 0.000 1.045 533 N HN 0.427 nan 8.380 nan 0.000 0.434 534 H N 1.164 120.220 119.070 -0.023 0.000 2.326 534 H HA 0.049 4.605 4.556 0.000 0.000 0.301 534 H C 1.802 177.139 175.328 0.015 0.000 1.081 534 H CA 1.030 57.074 56.048 -0.007 0.000 1.334 534 H CB -0.284 29.465 29.762 -0.022 0.000 1.385 534 H HN 0.303 nan 8.280 nan 0.000 0.504 535 E N 0.312 120.601 120.200 0.150 0.000 2.273 535 E HA -0.155 4.195 4.350 0.000 0.000 0.198 535 E C 2.176 178.926 176.600 0.249 0.000 1.002 535 E CA 0.534 57.022 56.400 0.146 0.000 0.828 535 E CB -0.308 29.477 29.700 0.142 0.000 0.747 535 E HN 0.288 nan 8.360 nan 0.000 0.491 536 L N 1.237 122.577 121.223 0.196 0.000 2.131 536 L HA -0.110 4.230 4.340 0.000 0.000 0.210 536 L C 2.031 179.025 176.870 0.207 0.000 1.092 536 L CA 1.778 56.746 54.840 0.213 0.000 0.759 536 L CB -0.828 41.298 42.059 0.112 0.000 0.903 536 L HN -0.052 nan 8.230 nan 0.000 0.435 537 T N -0.274 114.349 114.554 0.114 0.000 2.977 537 T HA -0.103 4.247 4.350 0.000 0.000 0.271 537 T C 1.830 176.568 174.700 0.063 0.000 1.105 537 T CA 1.501 63.641 62.100 0.067 0.000 1.116 537 T CB -0.177 68.692 68.868 0.002 0.000 0.878 537 T HN 0.326 nan 8.240 nan 0.000 0.509 538 L N -1.819 119.443 121.223 0.065 0.000 2.253 538 L HA 0.161 4.501 4.340 0.000 0.000 0.205 538 L C 2.205 179.040 176.870 -0.057 0.000 1.078 538 L CA 0.642 55.456 54.840 -0.044 0.000 0.805 538 L CB -0.322 41.653 42.059 -0.141 0.000 0.963 538 L HN 0.309 nan 8.230 nan 0.000 0.459 539 W N 0.764 122.101 121.300 0.061 0.000 2.388 539 W HA -0.094 4.566 4.660 0.000 0.000 0.294 539 W C 2.487 179.138 176.519 0.221 0.000 1.212 539 W CA 0.452 57.873 57.345 0.125 0.000 1.271 539 W CB -0.450 29.052 29.460 0.069 0.000 1.126 539 W HN 0.129 nan 8.180 nan 0.000 0.535 540 N N 0.646 119.586 118.700 0.401 0.000 2.021 540 N HA -0.206 4.534 4.740 0.000 0.000 0.198 540 N C 1.501 177.092 175.510 0.135 0.000 1.041 540 N CA 1.912 55.112 53.050 0.250 0.000 0.862 540 N CB -0.742 37.842 38.487 0.162 0.000 1.048 540 N HN 0.201 nan 8.380 nan 0.000 0.427 541 E N 0.555 120.807 120.200 0.085 0.000 2.152 541 E HA -0.001 4.349 4.350 0.000 0.000 0.192 541 E C 1.893 178.510 176.600 0.029 0.000 0.983 541 E CA 0.591 57.012 56.400 0.036 0.000 0.818 541 E CB -0.215 29.489 29.700 0.008 0.000 0.758 541 E HN 0.351 nan 8.360 nan 0.000 0.467 542 A N 2.343 125.181 122.820 0.031 0.000 1.902 542 A HA -0.223 4.097 4.320 0.000 0.000 0.217 542 A C 2.220 179.847 177.584 0.071 0.000 1.181 542 A CA 1.817 53.854 52.037 0.001 0.000 0.623 542 A CB -0.577 18.354 19.000 -0.114 0.000 0.818 542 A HN 0.295 nan 8.150 nan 0.000 0.443 543 R N -0.099 120.495 120.500 0.157 0.000 2.120 543 R HA -0.103 4.237 4.340 0.000 0.000 0.234 543 R C 2.018 178.354 176.300 0.060 0.000 1.123 543 R CA 1.694 57.881 56.100 0.145 0.000 0.975 543 R CB -0.496 29.897 30.300 0.155 0.000 0.866 543 R HN 0.448 nan 8.270 nan 0.000 0.446 544 K N 0.968 121.392 120.400 0.039 0.000 2.152 544 K HA -0.102 4.218 4.320 0.000 0.000 0.206 544 K C 1.836 178.446 176.600 0.016 0.000 1.048 544 K CA 1.280 57.576 56.287 0.015 0.000 0.933 544 K CB 0.004 32.510 32.500 0.009 0.000 0.721 544 K HN 0.295 nan 8.250 nan 0.000 0.447 545 L N -0.066 121.169 121.223 0.021 0.000 2.051 545 L HA -0.048 4.292 4.340 0.000 0.000 0.202 545 L C 1.257 178.141 176.870 0.025 0.000 1.097 545 L CA 0.529 55.378 54.840 0.016 0.000 0.762 545 L CB -0.269 41.792 42.059 0.004 0.000 0.913 545 L HN 0.108 nan 8.230 nan 0.000 0.447 546 N N 0.007 118.728 118.700 0.035 0.000 2.936 546 N HA 0.165 4.905 4.740 0.000 0.000 0.243 546 N C -2.085 173.463 175.510 0.063 0.000 1.149 546 N CA -1.987 51.090 53.050 0.044 0.000 0.914 546 N CB 1.127 39.639 38.487 0.043 0.000 1.179 546 N HN -0.115 nan 8.380 nan 0.000 0.502 547 P HA -0.080 nan 4.420 nan 0.000 0.217 547 P C 0.822 178.162 177.300 0.065 0.000 1.148 547 P CA 1.050 64.184 63.100 0.057 0.000 0.828 547 P CB 0.524 32.242 31.700 0.030 0.000 0.783 548 N N -0.529 118.203 118.700 0.053 0.000 2.062 548 N HA -0.100 4.640 4.740 0.000 0.000 0.191 548 N C 1.796 177.339 175.510 0.056 0.000 1.042 548 N CA 1.605 54.682 53.050 0.045 0.000 0.845 548 N CB -1.319 37.187 38.487 0.032 0.000 1.024 548 N HN -0.019 nan 8.380 nan 0.000 0.424 549 A N 1.082 123.941 122.820 0.064 0.000 1.869 549 A HA -0.183 4.137 4.320 0.000 0.000 0.218 549 A C 2.220 179.886 177.584 0.138 0.000 1.203 549 A CA 1.657 53.742 52.037 0.080 0.000 0.638 549 A CB -0.985 18.061 19.000 0.077 0.000 0.831 549 A HN 0.195 nan 8.150 nan 0.000 0.450 550 I N 0.068 120.753 120.570 0.192 0.000 2.163 550 I HA -0.237 3.933 4.170 0.000 0.000 0.243 550 I C 2.918 179.177 176.117 0.237 0.000 1.085 550 I CA 1.400 62.895 61.300 0.324 0.000 1.347 550 I CB -0.763 37.473 38.000 0.394 0.000 1.044 550 I HN 0.349 nan 8.210 nan 0.000 0.408 551 A N -0.473 122.445 122.820 0.165 0.000 1.865 551 A HA -0.218 4.102 4.320 0.000 0.000 0.217 551 A C 2.477 180.099 177.584 0.065 0.000 1.191 551 A CA 2.301 54.409 52.037 0.118 0.000 0.623 551 A CB -1.110 17.935 19.000 0.075 0.000 0.826 551 A HN 0.417 nan 8.150 nan 0.000 0.444 552 S N -1.117 114.606 115.700 0.040 0.000 2.440 552 S HA -0.084 4.386 4.470 0.000 0.000 0.238 552 S C 1.384 175.982 174.600 -0.004 0.000 1.010 552 S CA 1.209 59.405 58.200 -0.007 0.000 0.972 552 S CB -0.194 62.981 63.200 -0.042 0.000 0.774 552 S HN 0.360 nan 8.310 nan 0.000 0.501 553 V N 1.344 121.277 119.914 0.032 0.000 3.421 553 V HA 0.169 4.289 4.120 0.000 0.000 0.316 553 V C 0.901 176.941 176.094 -0.090 0.000 1.347 553 V CA 0.775 63.081 62.300 0.010 0.000 1.183 553 V CB -0.160 31.730 31.823 0.113 0.000 1.092 553 V HN 0.462 nan 8.190 nan 0.000 0.433 554 T N -0.991 113.520 114.554 -0.072 0.000 2.989 554 T HA 0.071 4.421 4.350 0.000 0.000 0.250 554 T C 1.315 175.972 174.700 -0.071 0.000 0.981 554 T CA 1.139 63.159 62.100 -0.132 0.000 0.980 554 T CB 0.787 69.609 68.868 -0.077 0.000 1.133 554 T HN 0.367 nan 8.240 nan 0.000 0.489 555 V N -0.097 119.801 119.914 -0.027 0.000 3.633 555 V HA 0.563 4.683 4.120 0.000 0.000 0.283 555 V C 1.638 177.715 176.094 -0.029 0.000 1.305 555 V CA 0.297 62.586 62.300 -0.019 0.000 1.153 555 V CB -0.999 30.824 31.823 -0.000 0.000 0.950 555 V HN 0.517 nan 8.190 nan 0.000 0.432 556 G N 1.581 110.356 108.800 -0.041 0.000 2.187 556 G HA2 -0.321 3.639 3.960 0.000 0.000 0.261 556 G HA3 -0.321 3.639 3.960 0.000 0.000 0.261 556 G C 0.276 175.155 174.900 -0.036 0.000 1.000 556 G CA 0.954 46.031 45.100 -0.038 0.000 0.718 556 G HN 1.155 nan 8.290 nan 0.000 0.519 557 R N -2.321 118.153 120.500 -0.043 0.000 2.710 557 R HA 0.686 5.026 4.340 0.000 0.000 0.270 557 R C -0.550 175.687 176.300 -0.105 0.000 1.021 557 R CA -1.316 54.746 56.100 -0.063 0.000 0.889 557 R CB 0.933 31.214 30.300 -0.031 0.000 1.243 557 R HN -0.043 nan 8.270 nan 0.000 0.464 558 R N 1.518 121.891 120.500 -0.212 0.000 2.351 558 R HA 0.229 4.569 4.340 0.000 0.000 0.318 558 R C 0.042 176.249 176.300 -0.155 0.000 1.055 558 R CA -0.109 55.809 56.100 -0.303 0.000 0.968 558 R CB 0.557 30.376 30.300 -0.803 0.000 0.974 558 R HN 0.555 nan 8.270 nan 0.000 0.439 559 V N -1.347 118.519 119.914 -0.079 0.000 3.160 559 V HA 0.660 4.780 4.120 0.000 0.000 0.310 559 V C -0.237 175.859 176.094 0.003 0.000 1.181 559 V CA -1.017 61.273 62.300 -0.017 0.000 1.047 559 V CB 2.367 34.191 31.823 0.001 0.000 1.068 559 V HN 0.572 nan 8.190 nan 0.000 0.441 560 S N 0.700 116.415 115.700 0.024 0.000 2.509 560 S HA 0.927 5.397 4.470 0.000 0.000 0.297 560 S C -0.332 174.284 174.600 0.026 0.000 1.118 560 S CA 0.282 58.500 58.200 0.030 0.000 1.074 560 S CB 1.023 64.248 63.200 0.043 0.000 1.038 560 S HN 2.222 nan 8.310 nan 0.000 0.498 561 A N 3.794 126.629 122.820 0.025 0.000 2.574 561 A HA 0.851 5.171 4.320 0.000 0.000 0.297 561 A C -0.776 176.816 177.584 0.014 0.000 1.062 561 A CA -1.021 51.027 52.037 0.018 0.000 0.686 561 A CB 1.402 20.413 19.000 0.019 0.000 1.285 561 A HN 1.023 nan 8.150 nan 0.000 0.403 562 R N 0.857 121.360 120.500 0.004 0.000 2.817 562 R HA 0.787 5.127 4.340 0.000 0.000 0.268 562 R C -1.360 174.932 176.300 -0.014 0.000 1.027 562 R CA -0.973 55.127 56.100 0.000 0.000 0.928 562 R CB 1.072 31.375 30.300 0.005 0.000 1.228 562 R HN 0.480 nan 8.270 nan 0.000 0.469 563 M N 3.023 122.613 119.600 -0.017 0.000 2.063 563 M HA 0.291 4.771 4.480 0.000 0.000 0.348 563 M C -0.730 175.555 176.300 -0.024 0.000 1.180 563 M CA -0.390 54.892 55.300 -0.030 0.000 1.059 563 M CB 0.899 33.481 32.600 -0.031 0.000 1.544 563 M HN 0.532 nan 8.290 nan 0.000 0.447 564 L N 3.724 124.930 121.223 -0.028 0.000 2.449 564 L HA 0.429 4.769 4.340 0.000 0.000 0.255 564 L C 1.223 178.078 176.870 -0.025 0.000 1.167 564 L CA -0.376 54.452 54.840 -0.021 0.000 1.090 564 L CB -0.600 41.448 42.059 -0.018 0.000 1.385 564 L HN 1.021 nan 8.230 nan 0.000 0.411 565 G N 1.872 110.659 108.800 -0.023 0.000 2.609 565 G HA2 -0.319 3.641 3.960 0.000 0.000 0.288 565 G HA3 -0.319 3.641 3.960 0.000 0.000 0.288 565 G C 0.499 175.379 174.900 -0.034 0.000 1.211 565 G CA 0.404 45.490 45.100 -0.023 0.000 0.963 565 G HN 0.493 nan 8.290 nan 0.000 0.541 566 D N 0.835 121.213 120.400 -0.037 0.000 2.389 566 D HA 0.268 4.908 4.640 0.000 0.000 0.206 566 D C 1.576 177.832 176.300 -0.074 0.000 1.055 566 D CA 1.075 55.046 54.000 -0.049 0.000 0.856 566 D CB 0.659 41.438 40.800 -0.035 0.000 0.957 566 D HN 0.787 nan 8.370 nan 0.000 0.509 567 V N -1.497 118.377 119.914 -0.067 0.000 3.234 567 V HA 0.557 4.677 4.120 0.000 0.000 0.317 567 V C -0.063 175.974 176.094 -0.094 0.000 1.081 567 V CA -1.005 61.244 62.300 -0.085 0.000 1.037 567 V CB 2.239 34.030 31.823 -0.053 0.000 1.148 567 V HN -0.095 nan 8.190 nan 0.000 0.453 568 M N 2.198 121.735 119.600 -0.105 0.000 2.253 568 M HA 0.766 5.246 4.480 0.000 0.000 0.314 568 M C -0.407 175.865 176.300 -0.047 0.000 1.019 568 M CA -0.651 54.596 55.300 -0.087 0.000 0.932 568 M CB 1.464 33.985 32.600 -0.132 0.000 1.606 568 M HN 1.135 nan 8.290 nan 0.000 0.430 569 A N 4.297 127.100 122.820 -0.028 0.000 2.327 569 A HA 0.716 5.036 4.320 0.000 0.000 0.283 569 A C -0.571 177.012 177.584 -0.002 0.000 1.127 569 A CA -0.485 51.546 52.037 -0.012 0.000 0.810 569 A CB 0.601 19.597 19.000 -0.006 0.000 1.066 569 A HN 0.987 nan 8.150 nan 0.000 0.492 570 V N -0.428 119.489 119.914 0.005 0.000 3.130 570 V HA 0.990 5.110 4.120 0.000 0.000 0.310 570 V C -0.437 175.667 176.094 0.017 0.000 1.158 570 V CA -0.107 62.201 62.300 0.013 0.000 1.029 570 V CB 1.683 33.516 31.823 0.016 0.000 1.057 570 V HN 1.764 nan 8.190 nan 0.000 0.436 571 S N -0.281 115.433 115.700 0.023 0.000 2.570 571 S HA 0.522 4.992 4.470 0.000 0.000 0.286 571 S C -0.508 174.114 174.600 0.035 0.000 1.143 571 S CA -0.426 57.791 58.200 0.028 0.000 0.921 571 S CB 0.941 64.159 63.200 0.030 0.000 1.108 571 S HN 1.243 nan 8.310 nan 0.000 0.456 572 T N 2.452 117.029 114.554 0.039 0.000 2.900 572 T HA 0.357 4.707 4.350 0.000 0.000 0.307 572 T C 0.496 175.244 174.700 0.079 0.000 1.065 572 T CA -0.221 61.909 62.100 0.050 0.000 1.105 572 T CB -0.029 68.871 68.868 0.053 0.000 0.979 572 T HN 0.851 nan 8.240 nan 0.000 0.544 573 c N 1.923 120.588 118.600 0.108 0.000 2.382 573 c HA 0.602 5.172 4.570 0.000 0.000 0.363 573 c C 0.531 174.782 174.090 0.270 0.000 1.213 573 c CA -0.814 55.631 56.329 0.194 0.000 2.363 573 c CB 0.643 43.289 42.510 0.225 0.000 2.397 573 c HN 0.644 nan 8.230 nan 0.000 0.573 574 V N 3.508 123.583 119.914 0.268 0.000 2.398 574 V HA 0.308 4.428 4.120 0.000 0.000 0.286 574 V C -2.226 173.923 176.094 0.092 0.000 1.026 574 V CA -1.306 61.115 62.300 0.202 0.000 0.868 574 V CB 1.471 33.404 31.823 0.184 0.000 0.982 574 V HN 0.755 nan 8.190 nan 0.000 0.443 575 P HA 0.182 nan 4.420 nan 0.000 0.271 575 P C -0.727 176.451 177.300 -0.205 0.000 1.226 575 P CA 0.101 62.906 63.100 -0.492 0.000 0.765 575 P CB 0.678 32.204 31.700 -0.290 0.000 0.835 576 V N 3.393 123.156 119.914 -0.252 0.000 2.513 576 V HA 0.533 4.653 4.120 0.000 0.000 0.299 576 V C 0.572 176.610 176.094 -0.093 0.000 1.035 576 V CA -1.042 61.187 62.300 -0.118 0.000 0.889 576 V CB 1.404 33.108 31.823 -0.198 0.000 0.988 576 V HN 0.665 nan 8.190 nan 0.000 0.440 577 A N 3.549 126.337 122.820 -0.053 0.000 2.555 577 A HA 0.429 4.749 4.320 0.000 0.000 0.233 577 A C 1.525 179.079 177.584 -0.051 0.000 1.060 577 A CA 0.614 52.629 52.037 -0.038 0.000 0.759 577 A CB 0.179 19.167 19.000 -0.020 0.000 0.995 577 A HN 1.437 nan 8.150 nan 0.000 0.506 578 A N 1.092 123.902 122.820 -0.016 0.000 2.066 578 A HA -0.029 4.291 4.320 0.000 0.000 0.218 578 A C 1.378 178.922 177.584 -0.067 0.000 1.157 578 A CA 1.669 53.700 52.037 -0.009 0.000 0.670 578 A CB -0.327 18.689 19.000 0.026 0.000 0.804 578 A HN 0.791 nan 8.150 nan 0.000 0.453 579 D N 0.534 120.907 120.400 -0.045 0.000 2.162 579 D HA -0.060 4.580 4.640 0.000 0.000 0.203 579 D C 0.167 176.438 176.300 -0.049 0.000 0.967 579 D CA 0.633 54.612 54.000 -0.036 0.000 0.840 579 D CB -0.411 40.379 40.800 -0.017 0.000 0.972 579 D HN 0.264 nan 8.370 nan 0.000 0.482 580 N N 0.893 119.557 118.700 -0.060 0.000 2.843 580 N HA 0.114 4.854 4.740 0.000 0.000 0.284 580 N C -0.821 174.643 175.510 -0.077 0.000 1.274 580 N CA 0.097 53.118 53.050 -0.049 0.000 1.045 580 N CB 0.938 39.409 38.487 -0.027 0.000 1.370 580 N HN -0.039 nan 8.380 nan 0.000 0.525 581 V N 1.000 120.838 119.914 -0.127 0.000 2.733 581 V HA 0.526 4.646 4.120 0.000 0.000 0.306 581 V C -0.321 175.752 176.094 -0.035 0.000 1.084 581 V CA -0.701 61.490 62.300 -0.182 0.000 0.905 581 V CB 2.563 34.005 31.823 -0.635 0.000 1.010 581 V HN 0.045 nan 8.190 nan 0.000 0.424 582 I N 3.924 124.501 120.570 0.012 0.000 2.619 582 I HA 0.521 4.691 4.170 0.000 0.000 0.292 582 I C -0.918 175.196 176.117 -0.004 0.000 1.100 582 I CA -1.028 60.291 61.300 0.032 0.000 1.043 582 I CB 2.566 40.569 38.000 0.005 0.000 1.239 582 I HN 0.256 nan 8.210 nan 0.000 0.420 583 V N 4.644 124.524 119.914 -0.056 0.000 2.370 583 V HA 0.261 4.381 4.120 0.000 0.000 0.279 583 V C 0.075 176.142 176.094 -0.044 0.000 1.029 583 V CA -0.678 61.556 62.300 -0.110 0.000 0.870 583 V CB 1.222 32.899 31.823 -0.242 0.000 0.984 583 V HN 0.664 nan 8.190 nan 0.000 0.451 584 Q N 3.190 122.986 119.800 -0.006 0.000 2.349 584 Q HA 0.057 4.397 4.340 0.000 0.000 0.287 584 Q C 1.012 177.086 176.000 0.123 0.000 1.044 584 Q CA 0.557 56.377 55.803 0.030 0.000 0.918 584 Q CB 0.303 29.058 28.738 0.027 0.000 1.242 584 Q HN 0.704 nan 8.270 nan 0.000 0.405 585 N N -0.487 118.261 118.700 0.080 0.000 2.354 585 N HA -0.023 4.717 4.740 0.000 0.000 0.179 585 N C -0.047 175.611 175.510 0.246 0.000 1.021 585 N CA 0.542 53.644 53.050 0.086 0.000 0.887 585 N CB 0.305 38.779 38.487 -0.021 0.000 0.974 585 N HN 0.354 nan 8.380 nan 0.000 0.437 586 S N -0.970 114.880 115.700 0.250 0.000 2.739 586 S HA 0.579 5.049 4.470 0.000 0.000 0.306 586 S C -0.063 174.726 174.600 0.315 0.000 1.115 586 S CA -0.631 57.745 58.200 0.294 0.000 0.985 586 S CB 0.900 64.192 63.200 0.152 0.000 1.133 586 S HN 0.018 nan 8.310 nan 0.000 0.541 587 M N 1.372 121.145 119.600 0.288 0.000 2.621 587 M HA 0.220 4.700 4.480 0.000 0.000 0.421 587 M C -0.765 175.607 176.300 0.120 0.000 1.180 587 M CA -0.084 55.326 55.300 0.182 0.000 0.875 587 M CB 0.622 33.350 32.600 0.213 0.000 1.572 587 M HN 0.535 nan 8.290 nan 0.000 0.541 588 R N 1.056 121.598 120.500 0.071 0.000 2.393 588 R HA 0.649 4.989 4.340 0.000 0.000 0.315 588 R C -0.717 175.568 176.300 -0.025 0.000 0.952 588 R CA -0.667 55.413 56.100 -0.034 0.000 0.842 588 R CB 1.213 31.479 30.300 -0.057 0.000 1.163 588 R HN 0.158 nan 8.270 nan 0.000 0.450 589 I N 2.474 123.015 120.570 -0.048 0.000 2.598 589 I HA -0.037 4.133 4.170 0.000 0.000 0.284 589 I C 0.931 177.029 176.117 -0.032 0.000 1.140 589 I CA 0.090 61.370 61.300 -0.033 0.000 1.420 589 I CB 1.329 39.307 38.000 -0.038 0.000 1.387 589 I HN 0.764 nan 8.210 nan 0.000 0.553 590 S N 3.211 118.900 115.700 -0.019 0.000 2.406 590 S HA -0.133 4.337 4.470 0.000 0.000 0.228 590 S C 2.061 176.649 174.600 -0.019 0.000 1.020 590 S CA 1.289 59.479 58.200 -0.017 0.000 0.965 590 S CB -0.081 63.114 63.200 -0.009 0.000 0.798 590 S HN 0.909 nan 8.310 nan 0.000 0.488 591 S N 1.612 117.301 115.700 -0.018 0.000 2.355 591 S HA -0.017 4.453 4.470 0.000 0.000 0.222 591 S C 1.404 175.992 174.600 -0.021 0.000 1.031 591 S CA 0.981 59.171 58.200 -0.017 0.000 0.993 591 S CB -0.450 62.741 63.200 -0.014 0.000 0.859 591 S HN 0.511 nan 8.310 nan 0.000 0.453 592 R N 1.792 122.276 120.500 -0.027 0.000 2.868 592 R HA 0.678 5.018 4.340 0.000 0.000 0.289 592 R C -3.060 173.213 176.300 -0.045 0.000 1.443 592 R CA -2.111 53.969 56.100 -0.032 0.000 1.651 592 R CB -1.007 29.275 30.300 -0.030 0.000 1.242 592 R HN 0.433 nan 8.270 nan 0.000 0.621 593 P HA 0.202 nan 4.420 nan 0.000 0.270 593 P C 1.174 178.434 177.300 -0.066 0.000 1.221 593 P CA 1.850 64.915 63.100 -0.059 0.000 0.788 593 P CB 0.932 32.605 31.700 -0.044 0.000 0.904 594 G N -0.956 107.792 108.800 -0.087 0.000 2.199 594 G HA2 -0.094 3.866 3.960 0.000 0.000 0.254 594 G HA3 -0.094 3.866 3.960 0.000 0.000 0.254 594 G C 0.232 175.066 174.900 -0.110 0.000 0.982 594 G CA 0.107 45.155 45.100 -0.087 0.000 0.632 594 G HN 0.878 nan 8.290 nan 0.000 0.529 595 A N -1.030 121.716 122.820 -0.124 0.000 2.365 595 A HA 0.770 5.090 4.320 0.000 0.000 0.318 595 A C -0.280 177.183 177.584 -0.201 0.000 1.091 595 A CA 0.110 52.068 52.037 -0.132 0.000 0.763 595 A CB 1.815 20.766 19.000 -0.081 0.000 1.248 595 A HN 1.235 nan 8.150 nan 0.000 0.442 596 c N 0.924 119.381 118.600 -0.238 0.000 2.599 596 c HA 0.640 5.210 4.570 0.000 0.000 0.354 596 c C 0.521 174.559 174.090 -0.088 0.000 1.092 596 c CA -0.753 55.384 56.329 -0.320 0.000 1.280 596 c CB -0.400 41.496 42.510 -1.024 0.000 1.829 596 c HN 1.080 nan 8.230 nan 0.000 0.454 597 Y N 1.226 121.519 120.300 -0.012 0.000 2.757 597 Y HA 0.310 4.860 4.550 0.000 0.000 0.344 597 Y C 1.287 177.260 175.900 0.120 0.000 1.263 597 Y CA 0.744 58.863 58.100 0.032 0.000 1.493 597 Y CB 0.039 38.495 38.460 -0.006 0.000 1.342 597 Y HN 1.008 nan 8.280 nan 0.000 0.627 598 S N 0.202 115.964 115.700 0.104 0.000 2.492 598 S HA 0.200 4.670 4.470 0.000 0.000 0.218 598 S C 0.408 175.079 174.600 0.118 0.000 1.016 598 S CA 0.228 58.541 58.200 0.188 0.000 0.916 598 S CB 0.328 63.633 63.200 0.175 0.000 0.791 598 S HN 0.684 nan 8.310 nan 0.000 0.513 599 R N 2.017 122.476 120.500 -0.068 0.000 2.562 599 R HA 0.547 4.887 4.340 0.000 0.000 0.298 599 R C -3.071 172.975 176.300 -0.423 0.000 0.961 599 R CA -2.359 53.536 56.100 -0.342 0.000 0.881 599 R CB 1.204 31.377 30.300 -0.213 0.000 1.159 599 R HN 0.171 nan 8.270 nan 0.000 0.450 600 P HA 0.066 nan 4.420 nan 0.000 0.272 600 P C -0.564 176.555 177.300 -0.303 0.000 1.248 600 P CA -0.142 62.610 63.100 -0.579 0.000 0.799 600 P CB 0.503 31.764 31.700 -0.732 0.000 0.997 601 L N -0.213 120.892 121.223 -0.196 0.000 2.319 601 L HA 0.724 5.064 4.340 0.000 0.000 0.267 601 L C 0.125 176.960 176.870 -0.059 0.000 1.011 601 L CA -0.579 54.207 54.840 -0.090 0.000 0.818 601 L CB 1.761 43.793 42.059 -0.046 0.000 1.316 601 L HN 0.211 nan 8.230 nan 0.000 0.432 602 V N -2.843 117.071 119.914 0.000 0.000 3.202 602 V HA 0.899 5.019 4.120 0.000 0.000 0.306 602 V C -0.715 175.443 176.094 0.107 0.000 1.283 602 V CA -0.614 61.706 62.300 0.034 0.000 1.065 602 V CB 1.851 33.692 31.823 0.030 0.000 1.079 602 V HN 0.673 nan 8.190 nan 0.000 0.448 603 S N 0.430 116.205 115.700 0.126 0.000 2.627 603 S HA 1.048 5.518 4.470 0.000 0.000 0.283 603 S C -1.008 173.722 174.600 0.217 0.000 1.127 603 S CA -0.342 57.925 58.200 0.111 0.000 0.863 603 S CB 1.870 65.066 63.200 -0.006 0.000 1.121 603 S HN 1.840 nan 8.310 nan 0.000 0.479 604 F N -2.724 117.141 119.950 -0.140 0.000 2.944 604 F HA 0.820 5.347 4.527 0.000 0.000 0.324 604 F C -0.908 174.760 175.800 -0.220 0.000 1.151 604 F CA -1.214 56.665 58.000 -0.201 0.000 0.883 604 F CB 0.371 39.204 39.000 -0.277 0.000 1.341 604 F HN 0.801 nan 8.300 nan 0.000 0.456 605 R N -0.038 120.399 120.500 -0.106 0.000 2.604 605 R HA 0.604 4.944 4.340 0.000 0.000 0.281 605 R C -1.258 175.004 176.300 -0.065 0.000 1.020 605 R CA -0.567 55.441 56.100 -0.154 0.000 0.899 605 R CB 0.246 30.509 30.300 -0.062 0.000 1.205 605 R HN 0.912 nan 8.270 nan 0.000 0.450 606 Y N -0.022 120.342 120.300 0.107 0.000 2.439 606 Y HA 0.223 4.773 4.550 0.000 0.000 0.292 606 Y C 1.672 177.598 175.900 0.044 0.000 1.130 606 Y CA 1.616 59.774 58.100 0.098 0.000 1.254 606 Y CB 0.373 38.886 38.460 0.089 0.000 1.000 606 Y HN 0.901 nan 8.280 nan 0.000 0.554 607 E N 0.082 120.383 120.200 0.168 0.000 2.299 607 E HA 0.329 4.679 4.350 0.000 0.000 0.265 607 E C -0.189 176.439 176.600 0.047 0.000 0.911 607 E CA -0.220 56.235 56.400 0.092 0.000 0.789 607 E CB 0.448 30.196 29.700 0.081 0.000 1.246 607 E HN 0.166 nan 8.360 nan 0.000 0.427 608 D N 0.183 120.602 120.400 0.031 0.000 2.084 608 D HA -0.132 4.508 4.640 0.000 0.000 0.196 608 D C 1.515 177.821 176.300 0.009 0.000 0.985 608 D CA 1.493 55.502 54.000 0.015 0.000 0.826 608 D CB 0.307 41.115 40.800 0.012 0.000 0.978 608 D HN 0.513 nan 8.370 nan 0.000 0.456 609 Q N 0.632 120.440 119.800 0.012 0.000 2.444 609 Q HA 0.155 4.495 4.340 0.000 0.000 0.206 609 Q C 1.002 177.007 176.000 0.007 0.000 0.948 609 Q CA 0.172 55.979 55.803 0.007 0.000 0.946 609 Q CB 0.356 29.099 28.738 0.008 0.000 1.027 609 Q HN 0.177 nan 8.270 nan 0.000 0.513 610 G N 2.400 111.209 108.800 0.015 0.000 2.599 610 G HA2 0.325 4.285 3.960 0.000 0.000 0.264 610 G HA3 0.325 4.285 3.960 0.000 0.000 0.264 610 G C -2.271 172.626 174.900 -0.006 0.000 1.200 610 G CA -0.771 44.340 45.100 0.019 0.000 0.896 610 G HN 0.031 nan 8.290 nan 0.000 0.536 611 P HA 0.264 nan 4.420 nan 0.000 0.274 611 P C -0.597 176.647 177.300 -0.093 0.000 1.260 611 P CA -0.578 62.497 63.100 -0.040 0.000 0.793 611 P CB 0.666 32.349 31.700 -0.029 0.000 1.048 612 L N 0.709 121.859 121.223 -0.122 0.000 2.280 612 L HA 0.377 4.717 4.340 0.000 0.000 0.287 612 L C -0.952 175.751 176.870 -0.279 0.000 1.023 612 L CA -0.710 54.013 54.840 -0.194 0.000 0.819 612 L CB 0.909 42.892 42.059 -0.127 0.000 1.212 612 L HN -0.012 nan 8.230 nan 0.000 0.420 613 V N 3.621 123.200 119.914 -0.558 0.000 2.539 613 V HA 0.585 4.706 4.120 0.000 0.000 0.292 613 V C 0.653 176.448 176.094 -0.498 0.000 1.045 613 V CA -0.255 61.655 62.300 -0.650 0.000 0.945 613 V CB 1.210 32.351 31.823 -1.136 0.000 0.993 613 V HN 0.850 nan 8.190 nan 0.000 0.464 614 E N 1.520 121.604 120.200 -0.195 0.000 2.248 614 E HA 0.797 5.147 4.350 0.000 0.000 0.272 614 E C 0.202 176.869 176.600 0.113 0.000 1.008 614 E CA -0.156 56.227 56.400 -0.027 0.000 0.856 614 E CB 1.717 31.406 29.700 -0.017 0.000 1.120 614 E HN 1.644 nan 8.360 nan 0.000 0.397 615 G N -0.112 108.780 108.800 0.153 0.000 2.340 615 G HA2 0.451 4.411 3.960 0.000 0.000 0.300 615 G HA3 0.451 4.411 3.960 0.000 0.000 0.300 615 G C -0.756 174.206 174.900 0.103 0.000 1.488 615 G CA -0.065 45.136 45.100 0.170 0.000 0.878 615 G HN 1.042 nan 8.290 nan 0.000 0.618 616 Q N -0.759 119.072 119.800 0.051 0.000 2.333 616 Q HA 0.852 5.192 4.340 0.000 0.000 0.266 616 Q C -0.815 175.174 176.000 -0.019 0.000 1.053 616 Q CA -1.014 54.783 55.803 -0.010 0.000 0.890 616 Q CB 2.198 30.909 28.738 -0.045 0.000 1.337 616 Q HN 0.729 nan 8.270 nan 0.000 0.474 617 L N 0.304 121.482 121.223 -0.076 0.000 2.399 617 L HA 0.732 5.072 4.340 0.000 0.000 0.266 617 L C -0.170 176.673 176.870 -0.045 0.000 1.114 617 L CA 0.553 55.367 54.840 -0.044 0.000 0.804 617 L CB 1.371 43.367 42.059 -0.104 0.000 1.146 617 L HN 0.865 nan 8.230 nan 0.000 0.451 618 G N 2.249 111.062 108.800 0.021 0.000 2.818 618 G HA2 0.392 4.352 3.960 0.000 0.000 0.286 618 G HA3 0.392 4.352 3.960 0.000 0.000 0.286 618 G C -1.214 173.726 174.900 0.066 0.000 1.364 618 G CA -0.732 44.388 45.100 0.034 0.000 0.938 618 G HN 0.599 nan 8.290 nan 0.000 0.490 619 E N 0.995 121.239 120.200 0.073 0.000 2.502 619 E HA -0.049 4.301 4.350 0.000 0.000 0.261 619 E C 0.440 177.068 176.600 0.046 0.000 0.974 619 E CA 0.356 56.805 56.400 0.082 0.000 0.936 619 E CB 0.332 30.075 29.700 0.071 0.000 0.926 619 E HN 0.622 nan 8.360 nan 0.000 0.459 620 N N 3.761 122.484 118.700 0.038 0.000 2.671 620 N HA -0.262 4.478 4.740 0.000 0.000 0.261 620 N C -0.895 174.559 175.510 -0.093 0.000 1.053 620 N CA 0.379 53.411 53.050 -0.030 0.000 0.732 620 N CB -0.843 37.629 38.487 -0.025 0.000 0.887 620 N HN 0.650 nan 8.380 nan 0.000 0.546 621 N N -0.584 118.025 118.700 -0.152 0.000 2.714 621 N HA -0.227 4.513 4.740 0.000 0.000 0.250 621 N C -0.438 175.031 175.510 -0.069 0.000 1.117 621 N CA 1.413 54.228 53.050 -0.392 0.000 0.719 621 N CB -0.956 36.958 38.487 -0.955 0.000 1.081 621 N HN 0.758 nan 8.380 nan 0.000 0.557 622 E N 0.809 121.033 120.200 0.039 0.000 2.223 622 E HA 0.153 4.503 4.350 0.000 0.000 0.282 622 E C -0.188 176.466 176.600 0.091 0.000 1.046 622 E CA -0.327 56.125 56.400 0.087 0.000 0.857 622 E CB 0.425 30.162 29.700 0.062 0.000 1.055 622 E HN 0.257 nan 8.360 nan 0.000 0.409 623 L N 6.313 127.565 121.223 0.049 0.000 2.358 623 L HA 0.284 4.624 4.340 0.000 0.000 0.274 623 L C 0.645 177.493 176.870 -0.036 0.000 1.136 623 L CA -0.224 54.565 54.840 -0.084 0.000 0.970 623 L CB 0.113 41.877 42.059 -0.490 0.000 1.314 623 L HN 0.317 nan 8.230 nan 0.000 0.427 624 R N 2.124 122.640 120.500 0.026 0.000 2.489 624 R HA 0.122 4.462 4.340 0.000 0.000 0.287 624 R C 0.976 177.335 176.300 0.097 0.000 1.053 624 R CA -0.209 55.927 56.100 0.059 0.000 1.036 624 R CB 0.998 31.325 30.300 0.045 0.000 0.966 624 R HN 0.614 nan 8.270 nan 0.000 0.432 625 L N 1.323 122.625 121.223 0.131 0.000 2.023 625 L HA -0.058 4.282 4.340 0.000 0.000 0.205 625 L C 0.896 177.831 176.870 0.108 0.000 1.073 625 L CA 1.123 56.064 54.840 0.168 0.000 0.745 625 L CB -0.328 41.835 42.059 0.174 0.000 0.900 625 L HN 0.565 nan 8.230 nan 0.000 0.435 626 T N 1.507 116.108 114.554 0.077 0.000 2.814 626 T HA 0.163 4.513 4.350 0.000 0.000 0.297 626 T C 0.412 175.135 174.700 0.039 0.000 0.956 626 T CA -0.191 61.940 62.100 0.052 0.000 1.123 626 T CB 0.368 69.261 68.868 0.042 0.000 0.902 626 T HN 0.172 nan 8.240 nan 0.000 0.528 627 R N 2.764 123.281 120.500 0.029 0.000 3.657 627 R HA 0.178 4.518 4.340 0.000 0.000 0.220 627 R C 0.213 176.517 176.300 0.007 0.000 1.548 627 R CA -0.280 55.828 56.100 0.014 0.000 1.465 627 R CB -0.124 30.181 30.300 0.008 0.000 1.330 627 R HN 0.694 nan 8.270 nan 0.000 0.707 628 D N -0.465 119.941 120.400 0.010 0.000 2.398 628 D HA 0.031 4.671 4.640 0.000 0.000 0.210 628 D C 0.209 176.514 176.300 0.008 0.000 1.094 628 D CA -0.272 53.733 54.000 0.009 0.000 0.839 628 D CB 0.596 41.405 40.800 0.014 0.000 0.963 628 D HN 0.201 nan 8.370 nan 0.000 0.506 629 A N 0.982 123.804 122.820 0.004 0.000 2.279 629 A HA 0.627 4.947 4.320 0.000 0.000 0.306 629 A C -0.364 177.225 177.584 0.008 0.000 1.300 629 A CA -0.368 51.674 52.037 0.009 0.000 0.925 629 A CB -0.236 18.769 19.000 0.008 0.000 1.152 629 A HN 0.329 nan 8.150 nan 0.000 0.544 630 I N 1.812 122.391 120.570 0.015 0.000 2.827 630 I HA 0.397 4.567 4.170 0.000 0.000 0.298 630 I C -0.361 175.770 176.117 0.023 0.000 1.235 630 I CA -0.576 60.733 61.300 0.014 0.000 1.021 630 I CB 2.666 40.663 38.000 -0.006 0.000 1.259 630 I HN 0.869 nan 8.210 nan 0.000 0.427 631 E N 4.468 124.686 120.200 0.030 0.000 2.392 631 E HA 0.614 4.964 4.350 0.000 0.000 0.269 631 E C -2.899 173.697 176.600 -0.006 0.000 0.924 631 E CA -2.445 53.977 56.400 0.036 0.000 0.784 631 E CB 1.915 31.670 29.700 0.091 0.000 1.292 631 E HN 0.090 nan 8.360 nan 0.000 0.447 632 P HA -0.031 nan 4.420 nan 0.000 0.265 632 P C -0.295 176.964 177.300 -0.068 0.000 1.193 632 P CA -0.364 62.715 63.100 -0.036 0.000 0.765 632 P CB 0.422 32.119 31.700 -0.006 0.000 0.823 633 c N 4.004 122.498 118.600 -0.177 0.000 2.679 633 c HA 0.407 4.977 4.570 0.000 0.000 0.417 633 c C 0.819 174.852 174.090 -0.094 0.000 1.302 633 c CA 0.782 56.903 56.329 -0.346 0.000 1.973 633 c CB -1.253 40.992 42.510 -0.441 0.000 2.715 633 c HN 0.807 nan 8.230 nan 0.000 0.628 634 T N 2.748 117.351 114.554 0.082 0.000 2.812 634 T HA 0.657 5.007 4.350 0.000 0.000 0.294 634 T C -0.372 174.503 174.700 0.292 0.000 1.159 634 T CA -0.260 61.957 62.100 0.196 0.000 1.008 634 T CB 0.826 69.829 68.868 0.226 0.000 1.289 634 T HN 1.275 nan 8.240 nan 0.000 0.514 635 V N -1.911 118.119 119.914 0.192 0.000 3.096 635 V HA 0.824 4.944 4.120 0.000 0.000 0.319 635 V C 1.385 177.568 176.094 0.148 0.000 1.082 635 V CA -0.075 62.325 62.300 0.166 0.000 1.022 635 V CB 0.241 32.123 31.823 0.099 0.000 1.103 635 V HN 2.115 nan 8.190 nan 0.000 0.455 636 G N 0.572 109.435 108.800 0.104 0.000 2.337 636 G HA2 -0.309 3.651 3.960 0.000 0.000 0.290 636 G HA3 -0.309 3.651 3.960 0.000 0.000 0.290 636 G C 0.463 175.385 174.900 0.037 0.000 1.003 636 G CA 1.033 46.168 45.100 0.058 0.000 0.825 636 G HN 1.687 nan 8.290 nan 0.000 0.509 637 H N 0.144 119.177 119.070 -0.062 0.000 2.982 637 H HA 0.588 5.144 4.556 0.000 0.000 0.261 637 H C 0.669 175.819 175.328 -0.297 0.000 1.603 637 H CA 0.629 56.560 56.048 -0.196 0.000 1.398 637 H CB -0.305 29.250 29.762 -0.346 0.000 1.693 637 H HN 0.751 nan 8.280 nan 0.000 0.535 638 R N 3.333 123.591 120.500 -0.402 0.000 2.532 638 R HA 0.670 5.010 4.340 0.000 0.000 0.295 638 R C -0.523 175.475 176.300 -0.503 0.000 0.968 638 R CA -0.810 55.022 56.100 -0.447 0.000 0.916 638 R CB 1.120 31.243 30.300 -0.296 0.000 1.124 638 R HN 0.584 nan 8.270 nan 0.000 0.463 639 R N 0.485 120.636 120.500 -0.582 0.000 2.817 639 R HA 0.533 4.873 4.340 0.000 0.000 0.268 639 R C -1.407 174.525 176.300 -0.614 0.000 1.027 639 R CA -0.969 54.798 56.100 -0.555 0.000 0.928 639 R CB 1.410 31.245 30.300 -0.775 0.000 1.228 639 R HN 0.630 nan 8.270 nan 0.000 0.469 640 Y N -0.094 119.813 120.300 -0.655 0.000 2.468 640 Y HA 0.591 5.141 4.550 0.000 0.000 0.342 640 Y C -0.340 175.200 175.900 -0.600 0.000 1.021 640 Y CA -0.729 57.109 58.100 -0.437 0.000 1.079 640 Y CB 1.681 39.952 38.460 -0.315 0.000 1.226 640 Y HN 0.367 nan 8.280 nan 0.000 0.460 641 F N -0.104 120.048 119.950 0.336 0.000 2.556 641 F HA 0.312 4.839 4.527 0.000 0.000 0.314 641 F C 0.001 176.044 175.800 0.406 0.000 1.106 641 F CA -1.236 56.940 58.000 0.293 0.000 0.911 641 F CB 2.001 41.087 39.000 0.143 0.000 1.190 641 F HN 0.268 nan 8.300 nan 0.000 0.448 642 T N 3.871 118.722 114.554 0.495 0.000 2.800 642 T HA 0.019 4.369 4.350 0.000 0.000 0.266 642 T C -0.885 173.968 174.700 0.254 0.000 0.939 642 T CA 0.595 62.833 62.100 0.229 0.000 1.199 642 T CB -0.880 68.056 68.868 0.114 0.000 0.899 642 T HN 0.325 nan 8.240 nan 0.000 0.555 643 F N 3.545 123.543 119.950 0.080 0.000 2.500 643 F HA 0.563 5.090 4.527 0.000 0.000 0.349 643 F C 0.808 176.682 175.800 0.122 0.000 1.127 643 F CA -0.183 57.925 58.000 0.179 0.000 0.998 643 F CB 0.223 39.401 39.000 0.297 0.000 1.237 643 F HN 0.772 nan 8.300 nan 0.000 0.439 644 G N 4.068 112.639 108.800 -0.381 0.000 2.547 644 G HA2 -0.254 3.706 3.960 0.000 0.000 0.271 644 G HA3 -0.254 3.706 3.960 0.000 0.000 0.271 644 G C 0.956 175.721 174.900 -0.225 0.000 1.209 644 G CA -0.062 44.846 45.100 -0.319 0.000 0.959 644 G HN 1.495 nan 8.290 nan 0.000 0.563 645 G N 0.594 109.305 108.800 -0.148 0.000 3.124 645 G HA2 0.588 4.548 3.960 0.000 0.000 0.212 645 G HA3 0.588 4.548 3.960 0.000 0.000 0.212 645 G C 0.769 175.593 174.900 -0.126 0.000 1.181 645 G CA 1.618 46.649 45.100 -0.114 0.000 0.803 645 G HN 1.896 nan 8.290 nan 0.000 0.529 646 G N -1.188 107.519 108.800 -0.155 0.000 2.772 646 G HA2 0.523 4.483 3.960 0.000 0.000 0.284 646 G HA3 0.523 4.483 3.960 0.000 0.000 0.284 646 G C -1.752 173.001 174.900 -0.245 0.000 1.217 646 G CA -0.905 44.080 45.100 -0.192 0.000 0.831 646 G HN 0.020 nan 8.290 nan 0.000 0.523 647 Y N -1.446 118.987 120.300 0.220 0.000 2.509 647 Y HA 0.652 5.202 4.550 0.000 0.000 0.341 647 Y C 0.068 176.146 175.900 0.297 0.000 1.038 647 Y CA -0.877 57.395 58.100 0.286 0.000 1.089 647 Y CB 2.433 41.072 38.460 0.299 0.000 1.241 647 Y HN 0.373 nan 8.280 nan 0.000 0.468 648 V N 3.020 123.228 119.914 0.491 0.000 2.435 648 V HA 0.389 4.509 4.120 0.000 0.000 0.290 648 V C -1.745 174.428 176.094 0.132 0.000 1.030 648 V CA -0.703 61.781 62.300 0.307 0.000 0.881 648 V CB 1.067 33.078 31.823 0.313 0.000 0.983 648 V HN 0.693 nan 8.190 nan 0.000 0.445 649 Y N 7.096 127.179 120.300 -0.361 0.000 2.417 649 Y HA 0.592 5.142 4.550 0.000 0.000 0.336 649 Y C -0.957 174.658 175.900 -0.476 0.000 0.961 649 Y CA -1.027 56.703 58.100 -0.617 0.000 1.215 649 Y CB 1.021 38.885 38.460 -0.994 0.000 1.120 649 Y HN 0.629 nan 8.280 nan 0.000 0.499 650 F N 4.395 123.871 119.950 -0.789 0.000 2.420 650 F HA 0.401 4.928 4.527 0.000 0.000 0.342 650 F C -0.030 175.327 175.800 -0.739 0.000 1.113 650 F CA -0.584 57.087 58.000 -0.548 0.000 1.059 650 F CB 1.396 40.295 39.000 -0.167 0.000 1.128 650 F HN 0.455 nan 8.300 nan 0.000 0.475 651 E N 2.884 122.830 120.200 -0.424 0.000 2.210 651 E HA 0.236 4.586 4.350 0.000 0.000 0.266 651 E C -0.902 175.652 176.600 -0.078 0.000 0.883 651 E CA -0.543 55.671 56.400 -0.309 0.000 0.761 651 E CB 0.912 30.465 29.700 -0.245 0.000 1.156 651 E HN 0.485 nan 8.360 nan 0.000 0.412 652 E N 3.218 123.404 120.200 -0.022 0.000 2.210 652 E HA -0.271 4.079 4.350 0.000 0.000 0.201 652 E C -0.716 176.041 176.600 0.262 0.000 1.339 652 E CA 1.163 57.637 56.400 0.123 0.000 0.699 652 E CB -1.651 28.120 29.700 0.119 0.000 1.126 652 E HN 0.794 nan 8.360 nan 0.000 0.355 653 Y N -3.992 116.461 120.300 0.256 0.000 4.469 653 Y HA -0.344 4.206 4.550 0.000 0.000 0.220 653 Y C 0.744 176.851 175.900 0.344 0.000 1.078 653 Y CA 1.091 59.352 58.100 0.268 0.000 1.881 653 Y CB -1.466 37.041 38.460 0.078 0.000 1.608 653 Y HN 0.540 nan 8.280 nan 0.000 0.634 654 A N -1.032 121.993 122.820 0.341 0.000 2.422 654 A HA 0.587 4.907 4.320 0.000 0.000 0.302 654 A C -0.736 176.569 177.584 -0.464 0.000 1.041 654 A CA -0.838 51.263 52.037 0.107 0.000 0.708 654 A CB 0.628 19.674 19.000 0.076 0.000 1.257 654 A HN 0.240 nan 8.150 nan 0.000 0.414 655 Y N 1.967 121.597 120.300 -1.118 0.000 2.890 655 Y HA 0.171 4.721 4.550 0.000 0.000 0.341 655 Y C 1.384 176.936 175.900 -0.581 0.000 1.269 655 Y CA 2.064 59.306 58.100 -1.431 0.000 1.517 655 Y CB 0.843 38.815 38.460 -0.815 0.000 1.314 655 Y HN 0.758 nan 8.280 nan 0.000 0.622 656 S N 2.447 117.501 115.700 -1.076 0.000 3.429 656 S HA 0.207 4.677 4.470 0.000 0.000 0.237 656 S C -0.807 173.599 174.600 -0.322 0.000 1.037 656 S CA 0.488 58.452 58.200 -0.393 0.000 0.806 656 S CB -0.063 63.119 63.200 -0.031 0.000 0.882 656 S HN 0.954 nan 8.310 nan 0.000 0.556 657 H N -0.113 118.501 119.070 -0.759 0.000 2.935 657 H HA 0.474 5.030 4.556 0.000 0.000 0.297 657 H C -1.643 173.603 175.328 -0.137 0.000 1.423 657 H CA -0.751 55.127 56.048 -0.283 0.000 1.161 657 H CB 0.225 29.959 29.762 -0.046 0.000 1.841 657 H HN 0.353 nan 8.280 nan 0.000 0.506 658 Q N 0.106 119.983 119.800 0.129 0.000 2.195 658 Q HA 0.634 4.974 4.340 0.000 0.000 0.250 658 Q C -0.699 175.403 176.000 0.170 0.000 0.988 658 Q CA -0.928 54.974 55.803 0.165 0.000 0.911 658 Q CB 1.993 30.927 28.738 0.328 0.000 1.258 658 Q HN 0.396 nan 8.270 nan 0.000 0.475 659 L N -0.785 120.562 121.223 0.206 0.000 2.332 659 L HA 0.540 4.880 4.340 0.000 0.000 0.242 659 L C -0.816 176.179 176.870 0.209 0.000 1.127 659 L CA -0.665 54.305 54.840 0.215 0.000 0.948 659 L CB 1.717 43.920 42.059 0.239 0.000 1.553 659 L HN 0.742 nan 8.230 nan 0.000 0.419 660 S N -1.906 113.910 115.700 0.194 0.000 2.570 660 S HA 0.563 5.034 4.470 0.000 0.000 0.286 660 S C 0.299 175.009 174.600 0.183 0.000 1.099 660 S CA -0.896 57.389 58.200 0.141 0.000 0.913 660 S CB 2.109 65.366 63.200 0.095 0.000 1.085 660 S HN 0.535 nan 8.310 nan 0.000 0.480 661 R N 0.753 121.325 120.500 0.120 0.000 2.200 661 R HA -0.098 4.242 4.340 0.000 0.000 0.234 661 R C 2.184 178.571 176.300 0.145 0.000 1.127 661 R CA 1.317 57.527 56.100 0.183 0.000 0.989 661 R CB -0.792 29.549 30.300 0.068 0.000 0.869 661 R HN 0.818 nan 8.270 nan 0.000 0.459 662 A N 1.347 124.226 122.820 0.099 0.000 2.015 662 A HA -0.150 4.170 4.320 0.000 0.000 0.219 662 A C 1.357 178.982 177.584 0.068 0.000 1.163 662 A CA 1.359 53.438 52.037 0.071 0.000 0.646 662 A CB -0.107 18.926 19.000 0.055 0.000 0.806 662 A HN 0.162 nan 8.150 nan 0.000 0.448 663 D N -0.562 119.892 120.400 0.090 0.000 2.347 663 D HA 0.095 4.735 4.640 0.000 0.000 0.215 663 D C 0.421 176.744 176.300 0.038 0.000 0.976 663 D CA 0.586 54.627 54.000 0.068 0.000 0.884 663 D CB 0.179 41.034 40.800 0.092 0.000 0.915 663 D HN 0.411 nan 8.370 nan 0.000 0.526 664 I N 1.233 121.828 120.570 0.043 0.000 2.441 664 I HA 0.050 4.220 4.170 0.000 0.000 0.295 664 I C 0.391 176.499 176.117 -0.015 0.000 0.994 664 I CA -0.689 60.599 61.300 -0.020 0.000 1.144 664 I CB 1.960 39.913 38.000 -0.078 0.000 1.314 664 I HN -0.195 nan 8.210 nan 0.000 0.445 665 T N 1.472 116.001 114.554 -0.042 0.000 2.817 665 T HA 0.134 4.484 4.350 0.000 0.000 0.295 665 T C 0.201 174.880 174.700 -0.035 0.000 0.958 665 T CA -0.476 61.604 62.100 -0.033 0.000 1.157 665 T CB 0.147 68.990 68.868 -0.042 0.000 0.898 665 T HN 0.512 nan 8.240 nan 0.000 0.536 666 T N 3.582 118.126 114.554 -0.015 0.000 2.889 666 T HA 0.548 4.898 4.350 0.000 0.000 0.291 666 T C 0.448 175.129 174.700 -0.031 0.000 0.995 666 T CA -0.642 61.449 62.100 -0.014 0.000 1.092 666 T CB 0.941 69.816 68.868 0.011 0.000 0.954 666 T HN 0.884 nan 8.240 nan 0.000 0.506 667 V N 0.152 120.035 119.914 -0.051 0.000 3.001 667 V HA 0.914 5.034 4.120 0.000 0.000 0.314 667 V C -0.191 175.836 176.094 -0.111 0.000 1.099 667 V CA -0.889 61.369 62.300 -0.070 0.000 0.989 667 V CB 2.052 33.827 31.823 -0.080 0.000 1.040 667 V HN 0.762 nan 8.190 nan 0.000 0.434 668 S N 0.413 116.029 115.700 -0.141 0.000 2.607 668 S HA 0.689 5.159 4.470 0.000 0.000 0.303 668 S C 0.665 175.035 174.600 -0.385 0.000 1.086 668 S CA 0.186 58.220 58.200 -0.277 0.000 0.995 668 S CB 1.890 65.005 63.200 -0.141 0.000 1.084 668 S HN 1.395 nan 8.310 nan 0.000 0.507 669 T N 0.515 114.607 114.554 -0.770 0.000 3.129 669 T HA 0.416 4.766 4.350 0.000 0.000 0.267 669 T C -0.507 173.929 174.700 -0.440 0.000 1.018 669 T CA -0.200 61.565 62.100 -0.559 0.000 0.903 669 T CB -0.560 68.010 68.868 -0.496 0.000 1.067 669 T HN 0.309 nan 8.240 nan 0.000 0.549 670 F N 1.257 121.212 119.950 0.009 0.000 2.426 670 F HA 0.643 5.170 4.527 0.000 0.000 0.348 670 F C 0.044 175.854 175.800 0.016 0.000 1.124 670 F CA -2.889 55.122 58.000 0.018 0.000 1.008 670 F CB 0.404 39.418 39.000 0.024 0.000 1.139 670 F HN -0.101 nan 8.300 nan 0.000 0.452 671 I N 3.664 124.344 120.570 0.182 0.000 2.618 671 I HA 0.010 4.180 4.170 0.000 0.000 0.284 671 I C 0.604 176.797 176.117 0.127 0.000 1.146 671 I CA 0.451 61.821 61.300 0.116 0.000 1.425 671 I CB -0.084 37.966 38.000 0.084 0.000 1.383 671 I HN 0.489 nan 8.210 nan 0.000 0.562 672 D N 5.117 125.574 120.400 0.095 0.000 2.348 672 D HA 0.550 5.190 4.640 0.000 0.000 0.249 672 D C -0.841 175.493 176.300 0.056 0.000 1.110 672 D CA -0.191 53.856 54.000 0.079 0.000 0.967 672 D CB 1.726 42.566 40.800 0.066 0.000 1.139 672 D HN 0.180 nan 8.370 nan 0.000 0.466 673 L N 1.939 123.187 121.223 0.042 0.000 2.614 673 L HA 0.235 4.575 4.340 0.000 0.000 0.264 673 L C -1.427 175.453 176.870 0.016 0.000 0.940 673 L CA -0.533 54.324 54.840 0.029 0.000 0.903 673 L CB 1.551 43.629 42.059 0.031 0.000 1.306 673 L HN 0.135 nan 8.230 nan 0.000 0.410 674 N N 5.780 124.488 118.700 0.013 0.000 3.194 674 N HA 0.284 5.024 4.740 0.000 0.000 0.271 674 N C -1.023 174.488 175.510 0.001 0.000 1.308 674 N CA -0.441 52.613 53.050 0.007 0.000 1.042 674 N CB 0.064 38.556 38.487 0.009 0.000 1.310 674 N HN 0.461 nan 8.380 nan 0.000 0.502 675 I N 2.045 122.612 120.570 -0.004 0.000 2.416 675 I HA 0.163 4.333 4.170 0.000 0.000 0.288 675 I C 0.828 176.939 176.117 -0.010 0.000 1.051 675 I CA -0.089 61.205 61.300 -0.009 0.000 1.375 675 I CB 0.371 38.360 38.000 -0.018 0.000 1.407 675 I HN 0.355 nan 8.210 nan 0.000 0.516 676 T N 4.298 118.847 114.554 -0.008 0.000 2.912 676 T HA 0.644 4.994 4.350 0.000 0.000 0.288 676 T C 0.000 174.695 174.700 -0.008 0.000 1.030 676 T CA -0.971 61.124 62.100 -0.007 0.000 1.020 676 T CB 1.832 70.698 68.868 -0.005 0.000 1.056 676 T HN 0.353 nan 8.240 nan 0.000 0.480 677 M N 2.099 121.695 119.600 -0.007 0.000 2.233 677 M HA 0.304 4.784 4.480 0.000 0.000 0.350 677 M C -0.224 176.075 176.300 -0.002 0.000 1.176 677 M CA -0.879 54.418 55.300 -0.005 0.000 1.150 677 M CB 0.869 33.467 32.600 -0.004 0.000 1.530 677 M HN 0.627 nan 8.290 nan 0.000 0.459 678 L N 5.093 126.316 121.223 0.000 0.000 2.433 678 L HA 0.117 4.457 4.340 0.000 0.000 0.275 678 L C 0.337 177.213 176.870 0.012 0.000 1.128 678 L CA 0.298 55.141 54.840 0.005 0.000 0.875 678 L CB 0.081 42.144 42.059 0.007 0.000 1.171 678 L HN 0.620 nan 8.230 nan 0.000 0.463 679 E N 4.022 124.229 120.200 0.012 0.000 2.342 679 E HA 0.148 4.498 4.350 0.000 0.000 0.257 679 E C -0.994 175.625 176.600 0.032 0.000 1.150 679 E CA -0.616 55.793 56.400 0.016 0.000 0.926 679 E CB 0.703 30.409 29.700 0.010 0.000 1.074 679 E HN 0.606 nan 8.360 nan 0.000 0.449 680 D N 0.278 120.696 120.400 0.030 0.000 2.360 680 D HA 0.194 4.834 4.640 0.000 0.000 0.242 680 D C -0.342 175.992 176.300 0.056 0.000 1.184 680 D CA 0.504 54.529 54.000 0.042 0.000 0.930 680 D CB 0.412 41.224 40.800 0.019 0.000 1.161 680 D HN 0.510 nan 8.370 nan 0.000 0.447 681 H N -1.961 117.052 119.070 -0.095 0.000 3.087 681 H HA 0.431 4.987 4.556 0.000 0.000 0.348 681 H C -1.179 173.960 175.328 -0.316 0.000 1.092 681 H CA -0.381 55.529 56.048 -0.230 0.000 1.285 681 H CB 0.896 30.463 29.762 -0.324 0.000 1.875 681 H HN 0.330 nan 8.280 nan 0.000 0.512 682 E N 4.498 124.212 120.200 -0.810 0.000 2.134 682 E HA 0.401 4.751 4.350 0.000 0.000 0.278 682 E C -1.382 174.839 176.600 -0.633 0.000 0.959 682 E CA -0.695 55.409 56.400 -0.493 0.000 0.783 682 E CB 0.649 30.182 29.700 -0.279 0.000 1.095 682 E HN 0.429 nan 8.360 nan 0.000 0.399 683 F N 2.204 122.125 119.950 -0.048 0.000 2.368 683 F HA 0.323 4.850 4.527 0.000 0.000 0.362 683 F C 0.881 176.683 175.800 0.003 0.000 1.137 683 F CA -0.785 57.236 58.000 0.035 0.000 1.161 683 F CB 1.021 40.081 39.000 0.100 0.000 1.265 683 F HN 0.459 nan 8.300 nan 0.000 0.530 684 V N 1.800 121.773 119.914 0.098 0.000 2.732 684 V HA 0.445 4.565 4.120 0.000 0.000 0.297 684 V C -2.123 174.023 176.094 0.087 0.000 1.060 684 V CA -2.353 59.985 62.300 0.063 0.000 1.038 684 V CB 0.093 31.923 31.823 0.011 0.000 1.003 684 V HN 0.428 nan 8.190 nan 0.000 0.481 685 P HA 0.304 nan 4.420 nan 0.000 0.260 685 P C -0.863 176.467 177.300 0.050 0.000 1.172 685 P CA 0.346 63.480 63.100 0.056 0.000 0.760 685 P CB 0.214 31.938 31.700 0.040 0.000 0.773 686 L N 2.737 123.992 121.223 0.053 0.000 2.464 686 L HA 0.559 4.899 4.340 0.000 0.000 0.266 686 L C -0.906 175.983 176.870 0.031 0.000 0.965 686 L CA -0.219 54.645 54.840 0.040 0.000 0.833 686 L CB 2.105 44.197 42.059 0.054 0.000 1.296 686 L HN 0.278 nan 8.230 nan 0.000 0.405 687 E N 2.675 122.882 120.200 0.012 0.000 2.321 687 E HA 0.382 4.732 4.350 0.000 0.000 0.278 687 E C -0.164 176.412 176.600 -0.040 0.000 0.902 687 E CA -0.681 55.724 56.400 0.008 0.000 0.758 687 E CB 2.389 32.106 29.700 0.028 0.000 1.213 687 E HN 0.527 nan 8.360 nan 0.000 0.426 688 V N 2.606 122.479 119.914 -0.068 0.000 2.222 688 V HA -0.152 3.968 4.120 0.000 0.000 0.240 688 V C 0.264 176.143 176.094 -0.359 0.000 1.040 688 V CA 1.339 63.492 62.300 -0.243 0.000 0.988 688 V CB -0.336 31.340 31.823 -0.245 0.000 0.633 688 V HN 0.556 nan 8.190 nan 0.000 0.452 689 Y N 0.927 121.237 120.300 0.016 0.000 2.331 689 Y HA 0.470 5.020 4.550 0.000 0.000 0.338 689 Y C 0.891 176.802 175.900 0.019 0.000 0.976 689 Y CA -0.789 57.318 58.100 0.011 0.000 1.137 689 Y CB 0.878 39.340 38.460 0.004 0.000 1.172 689 Y HN 0.281 nan 8.280 nan 0.000 0.478 690 T N -1.082 113.563 114.554 0.152 0.000 2.726 690 T HA 0.154 4.504 4.350 0.000 0.000 0.294 690 T C 1.376 176.150 174.700 0.124 0.000 1.013 690 T CA -0.544 61.626 62.100 0.118 0.000 0.996 690 T CB 0.943 69.875 68.868 0.107 0.000 1.016 690 T HN 0.791 nan 8.240 nan 0.000 0.529 691 R N -0.726 119.840 120.500 0.109 0.000 2.073 691 R HA -0.157 4.183 4.340 0.000 0.000 0.234 691 R C 2.468 178.844 176.300 0.126 0.000 1.134 691 R CA 1.730 57.890 56.100 0.099 0.000 0.952 691 R CB -0.696 29.654 30.300 0.084 0.000 0.850 691 R HN 0.889 nan 8.270 nan 0.000 0.433 692 H N 0.863 119.958 119.070 0.041 0.000 2.353 692 H HA -0.076 4.480 4.556 0.000 0.000 0.300 692 H C 1.553 176.905 175.328 0.041 0.000 1.090 692 H CA 2.125 58.194 56.048 0.034 0.000 1.327 692 H CB -0.047 29.733 29.762 0.031 0.000 1.383 692 H HN 0.298 nan 8.280 nan 0.000 0.508 693 E N -0.067 120.094 120.200 -0.066 0.000 2.070 693 E HA -0.182 4.168 4.350 0.000 0.000 0.197 693 E C 2.293 178.835 176.600 -0.097 0.000 1.004 693 E CA 1.220 57.560 56.400 -0.100 0.000 0.805 693 E CB -0.035 29.723 29.700 0.097 0.000 0.744 693 E HN 0.433 nan 8.360 nan 0.000 0.451 694 I N 1.339 121.887 120.570 -0.036 0.000 2.127 694 I HA -0.289 3.881 4.170 0.000 0.000 0.241 694 I C 2.531 178.612 176.117 -0.061 0.000 1.075 694 I CA 1.488 62.749 61.300 -0.063 0.000 1.334 694 I CB -0.873 37.113 38.000 -0.024 0.000 1.040 694 I HN 0.099 nan 8.210 nan 0.000 0.405 695 K N 0.909 121.294 120.400 -0.024 0.000 2.044 695 K HA -0.284 4.036 4.320 0.000 0.000 0.210 695 K C 1.817 178.392 176.600 -0.041 0.000 1.049 695 K CA 2.339 58.626 56.287 0.000 0.000 0.927 695 K CB -0.251 32.298 32.500 0.081 0.000 0.713 695 K HN 0.201 nan 8.250 nan 0.000 0.443 696 D N -0.073 120.248 120.400 -0.132 0.000 2.311 696 D HA -0.119 4.521 4.640 0.000 0.000 0.212 696 D C 1.415 177.657 176.300 -0.097 0.000 0.972 696 D CA 1.352 55.261 54.000 -0.152 0.000 0.887 696 D CB -0.080 40.520 40.800 -0.332 0.000 0.915 696 D HN 0.306 nan 8.370 nan 0.000 0.497 697 S N -1.404 114.239 115.700 -0.096 0.000 2.603 697 S HA 0.147 4.617 4.470 0.000 0.000 0.229 697 S C 1.077 175.639 174.600 -0.064 0.000 0.972 697 S CA -0.032 58.115 58.200 -0.088 0.000 0.935 697 S CB -0.236 62.889 63.200 -0.124 0.000 0.769 697 S HN 0.253 nan 8.310 nan 0.000 0.536 698 G N 1.069 109.841 108.800 -0.046 0.000 2.335 698 G HA2 0.545 4.505 3.960 0.000 0.000 0.314 698 G HA3 0.545 4.505 3.960 0.000 0.000 0.314 698 G C 0.335 175.223 174.900 -0.020 0.000 1.129 698 G CA -0.726 44.355 45.100 -0.030 0.000 0.912 698 G HN 0.229 nan 8.290 nan 0.000 0.443 699 L N 3.123 124.333 121.223 -0.021 0.000 2.042 699 L HA 0.178 4.518 4.340 0.000 0.000 0.210 699 L C 0.969 177.838 176.870 -0.002 0.000 1.076 699 L CA 1.560 56.391 54.840 -0.015 0.000 0.749 699 L CB -0.471 41.576 42.059 -0.019 0.000 0.893 699 L HN 0.424 nan 8.230 nan 0.000 0.432 700 L N -0.402 120.824 121.223 0.004 0.000 2.334 700 L HA 0.317 4.657 4.340 0.000 0.000 0.273 700 L C -1.025 175.870 176.870 0.042 0.000 1.013 700 L CA -0.660 54.194 54.840 0.023 0.000 0.816 700 L CB 1.718 43.792 42.059 0.025 0.000 1.278 700 L HN -0.017 nan 8.230 nan 0.000 0.431 701 D N 0.677 121.113 120.400 0.059 0.000 2.446 701 D HA 0.102 4.742 4.640 0.000 0.000 0.251 701 D C 0.560 176.931 176.300 0.119 0.000 1.137 701 D CA -0.415 53.632 54.000 0.078 0.000 0.890 701 D CB 0.674 41.506 40.800 0.055 0.000 1.071 701 D HN 0.349 nan 8.370 nan 0.000 0.528 702 Y N 2.809 123.111 120.300 0.003 0.000 2.062 702 Y HA -0.351 4.199 4.550 0.000 0.000 0.273 702 Y C 1.890 177.796 175.900 0.009 0.000 1.206 702 Y CA 2.383 60.485 58.100 0.004 0.000 1.125 702 Y CB -0.814 37.649 38.460 0.005 0.000 0.951 702 Y HN 0.387 nan 8.280 nan 0.000 0.501 703 T N -0.075 114.463 114.554 -0.027 0.000 2.622 703 T HA -0.266 4.084 4.350 0.000 0.000 0.266 703 T C 2.130 176.771 174.700 -0.099 0.000 1.047 703 T CA 2.620 64.649 62.100 -0.118 0.000 1.159 703 T CB -0.821 68.032 68.868 -0.025 0.000 0.863 703 T HN 0.611 nan 8.240 nan 0.000 0.422 704 E N 0.553 120.735 120.200 -0.030 0.000 2.130 704 E HA -0.160 4.190 4.350 0.000 0.000 0.196 704 E C 2.344 178.928 176.600 -0.027 0.000 0.998 704 E CA 1.699 58.089 56.400 -0.016 0.000 0.806 704 E CB -1.252 28.456 29.700 0.013 0.000 0.738 704 E HN 0.430 nan 8.360 nan 0.000 0.459 705 V N 0.612 120.506 119.914 -0.033 0.000 2.283 705 V HA -0.242 3.878 4.120 0.000 0.000 0.243 705 V C 2.724 178.773 176.094 -0.074 0.000 1.039 705 V CA 1.722 64.006 62.300 -0.026 0.000 1.016 705 V CB -0.412 31.420 31.823 0.015 0.000 0.650 705 V HN 0.500 nan 8.190 nan 0.000 0.449 706 Q N -0.011 119.674 119.800 -0.192 0.000 2.062 706 Q HA -0.269 4.071 4.340 0.000 0.000 0.209 706 Q C 2.443 178.368 176.000 -0.124 0.000 0.996 706 Q CA 1.815 57.476 55.803 -0.236 0.000 0.859 706 Q CB -0.599 27.849 28.738 -0.484 0.000 0.920 706 Q HN 0.442 nan 8.270 nan 0.000 0.415 707 R N 0.669 121.104 120.500 -0.108 0.000 2.103 707 R HA -0.164 4.176 4.340 0.000 0.000 0.242 707 R C 2.201 178.489 176.300 -0.022 0.000 1.142 707 R CA 1.736 57.801 56.100 -0.058 0.000 0.960 707 R CB -0.218 30.054 30.300 -0.047 0.000 0.858 707 R HN 0.196 nan 8.270 nan 0.000 0.439 708 R N -0.137 120.357 120.500 -0.009 0.000 2.093 708 R HA -0.056 4.284 4.340 0.000 0.000 0.224 708 R C 1.744 178.080 176.300 0.059 0.000 1.101 708 R CA 1.406 57.523 56.100 0.030 0.000 0.979 708 R CB -0.103 30.219 30.300 0.037 0.000 0.877 708 R HN 0.178 nan 8.270 nan 0.000 0.441 709 N N 0.955 119.673 118.700 0.029 0.000 2.120 709 N HA -0.156 4.584 4.740 0.000 0.000 0.188 709 N C 1.424 176.973 175.510 0.066 0.000 1.024 709 N CA 1.399 54.472 53.050 0.038 0.000 0.852 709 N CB -0.078 38.407 38.487 -0.004 0.000 1.003 709 N HN 0.378 nan 8.380 nan 0.000 0.424 710 Q N -0.305 119.515 119.800 0.034 0.000 2.432 710 Q HA 0.119 4.460 4.340 0.000 0.000 0.205 710 Q C 1.556 177.590 176.000 0.058 0.000 0.945 710 Q CA 0.289 56.114 55.803 0.037 0.000 0.924 710 Q CB 0.203 28.941 28.738 0.000 0.000 1.016 710 Q HN 0.396 nan 8.270 nan 0.000 0.503 711 L N -0.338 120.925 121.223 0.066 0.000 2.395 711 L HA -0.106 4.234 4.340 0.000 0.000 0.218 711 L C 2.175 179.104 176.870 0.098 0.000 1.130 711 L CA 0.455 55.327 54.840 0.054 0.000 0.826 711 L CB -0.319 41.757 42.059 0.028 0.000 0.941 711 L HN 0.274 nan 8.230 nan 0.000 0.451 712 H N 0.896 120.018 119.070 0.087 0.000 2.267 712 H HA -0.282 4.274 4.556 0.000 0.000 0.291 712 H C 1.662 177.104 175.328 0.190 0.000 1.094 712 H CA 2.426 58.586 56.048 0.186 0.000 1.227 712 H CB 0.063 29.905 29.762 0.133 0.000 1.351 712 H HN 0.202 nan 8.280 nan 0.000 0.483 713 D N -0.493 119.991 120.400 0.141 0.000 2.350 713 D HA -0.066 4.574 4.640 0.000 0.000 0.216 713 D C 2.212 178.507 176.300 -0.008 0.000 0.968 713 D CA 0.491 54.526 54.000 0.060 0.000 0.894 713 D CB -0.066 40.793 40.800 0.100 0.000 0.909 713 D HN 0.422 nan 8.370 nan 0.000 0.520 714 L N -0.294 120.914 121.223 -0.024 0.000 2.162 714 L HA 0.028 4.368 4.340 0.000 0.000 0.205 714 L C 2.383 179.171 176.870 -0.136 0.000 1.086 714 L CA 0.776 55.579 54.840 -0.061 0.000 0.778 714 L CB 0.100 42.131 42.059 -0.047 0.000 0.928 714 L HN -0.148 nan 8.230 nan 0.000 0.446 715 R N -1.432 118.932 120.500 -0.226 0.000 2.173 715 R HA 0.059 4.399 4.340 0.000 0.000 0.208 715 R C 1.354 177.265 176.300 -0.647 0.000 1.035 715 R CA 0.882 56.696 56.100 -0.476 0.000 1.004 715 R CB 0.214 30.112 30.300 -0.671 0.000 0.917 715 R HN 0.226 nan 8.270 nan 0.000 0.462 716 F N -1.128 118.689 119.950 -0.222 0.000 2.728 716 F HA 0.408 4.935 4.527 0.000 0.000 0.314 716 F C 0.784 176.495 175.800 -0.148 0.000 1.094 716 F CA -0.459 57.408 58.000 -0.222 0.000 1.217 716 F CB 0.878 39.644 39.000 -0.391 0.000 1.056 716 F HN -0.048 nan 8.300 nan 0.000 0.577 717 A N -0.758 122.068 122.820 0.009 0.000 3.423 717 A HA 0.631 4.951 4.320 0.000 0.000 0.226 717 A C -1.491 176.086 177.584 -0.011 0.000 1.055 717 A CA -0.267 51.777 52.037 0.013 0.000 0.786 717 A CB 0.692 19.709 19.000 0.028 0.000 1.400 717 A HN -0.062 nan 8.150 nan 0.000 0.673 718 D N 0.187 120.583 120.400 -0.006 0.000 2.323 718 D HA 0.246 4.886 4.640 0.000 0.000 0.242 718 D C -0.237 176.057 176.300 -0.011 0.000 1.347 718 D CA -0.215 53.777 54.000 -0.014 0.000 0.988 718 D CB 0.539 41.329 40.800 -0.016 0.000 1.314 718 D HN 0.583 nan 8.370 nan 0.000 0.564 719 I N -0.261 120.303 120.570 -0.010 0.000 3.806 719 I HA 0.337 4.507 4.170 0.000 0.000 0.321 719 I C -0.177 175.934 176.117 -0.009 0.000 1.315 719 I CA 0.037 61.334 61.300 -0.005 0.000 1.148 719 I CB 0.335 38.335 38.000 0.000 0.000 1.028 719 I HN -0.066 nan 8.210 nan 0.000 0.415 720 D N 0.498 120.890 120.400 -0.013 0.000 2.504 720 D HA 0.093 4.733 4.640 0.000 0.000 0.276 720 D C 0.598 176.887 176.300 -0.017 0.000 1.073 720 D CA 0.504 54.497 54.000 -0.012 0.000 0.905 720 D CB 0.439 41.233 40.800 -0.011 0.000 1.350 720 D HN 0.198 nan 8.370 nan 0.000 0.496 721 T N 1.459 115.999 114.554 -0.024 0.000 2.928 721 T HA 0.221 4.571 4.350 0.000 0.000 0.305 721 T C 0.232 174.894 174.700 -0.064 0.000 1.035 721 T CA 0.193 62.270 62.100 -0.038 0.000 1.145 721 T CB 1.449 70.293 68.868 -0.040 0.000 0.963 721 T HN -0.262 nan 8.240 nan 0.000 0.545 722 V N 5.698 125.552 119.914 -0.100 0.000 2.376 722 V HA 0.334 4.454 4.120 0.000 0.000 0.287 722 V C 0.116 175.940 176.094 -0.450 0.000 1.015 722 V CA -0.947 61.239 62.300 -0.190 0.000 0.834 722 V CB 1.208 32.963 31.823 -0.113 0.000 1.001 722 V HN 0.713 nan 8.190 nan 0.000 0.428 723 I N 4.489 124.828 120.570 -0.386 0.000 2.662 723 I HA 0.467 4.637 4.170 0.000 0.000 0.291 723 I C 0.270 176.049 176.117 -0.563 0.000 1.046 723 I CA 0.089 61.146 61.300 -0.405 0.000 1.361 723 I CB 0.933 38.831 38.000 -0.169 0.000 1.429 723 I HN 0.711 nan 8.210 nan 0.000 0.558 724 H N 0.000 119.069 119.070 -0.002 0.000 2.539 724 H HA 0.000 4.556 4.556 0.000 0.000 0.296 724 H CA 0.000 56.047 56.048 -0.002 0.000 1.023 724 H CB 0.000 29.761 29.762 -0.002 0.000 1.292 724 H HN 0.000 nan 8.280 nan 0.000 0.496