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 2xqy_1_A DATA FIRST_RESID 131 DATA SEQUENCE GVRRTYTTAA VWPAEVAVLA DAEARcPAAV FNVTLGEAFL GLRVALRSFL DATA SEQUENCE PLEVIISAER MRMIAPPXXX XXXXXXXXXX GRFHVYTLGF LSDGAMHQTM DATA SEQUENCE RDVAAYVHES DDYLAQLSAA HAAALAAVVQ PGPYYFYRAA VRLGVAAFVF DATA SEQUENCE SEAARRDRRA SAPALLRVES DARLLSRLLM RAAGcPAGFA GLFDGRAERV DATA SEQUENCE PVAPADQLRA AWTFGEDPAP RLDLARATVA EAYRRSVRGK PFDQQALFFA DATA SEQUENCE VALLLRAGGP GDARETLLRT TAMcTAERAA AAAELTRAAL SPTAAWNEPF DATA SEQUENCE SLLDVLSPcA VSLRRDLXXX ATLANLGAAA RLALAPAGXX XXXXXXXXXX DATA SEQUENCE XXEEEDPVAR AAPEIPAEAL LALPLRGGAS FVFTRRRPDc GPAYTLGGVD DATA SEQUENCE IANPLVLAIV SNXXXXcDYT DRMPESQHLP ATDNPSVCVY CDCVFVRYSS DATA SEQUENCE AGTILETVLI ESKDMEEQLM AGXXXXXPSF NPTLHGGDVK ALMLFPNGTV DATA SEQUENCE VDL 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 131 G HA2 0.000 nan 3.960 nan 0.000 0.244 131 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 131 G C 0.000 174.904 174.900 0.006 0.000 0.946 131 G CA 0.000 45.103 45.100 0.005 0.000 0.502 132 V N 3.766 123.686 119.914 0.010 0.000 2.485 132 V HA 0.193 4.313 4.120 0.000 0.000 0.287 132 V C 0.664 176.767 176.094 0.014 0.000 1.022 132 V CA -0.278 62.029 62.300 0.012 0.000 1.067 132 V CB 0.642 32.473 31.823 0.014 0.000 0.967 132 V HN 0.598 nan 8.190 nan 0.000 0.479 133 R N 6.247 126.754 120.500 0.012 0.000 2.296 133 R HA 0.425 4.766 4.340 0.000 0.000 0.323 133 R C -0.113 176.199 176.300 0.019 0.000 1.067 133 R CA 0.027 56.134 56.100 0.013 0.000 0.946 133 R CB 0.317 30.621 30.300 0.007 0.000 0.991 133 R HN 0.646 nan 8.270 nan 0.000 0.448 134 R N 0.370 120.887 120.500 0.029 0.000 2.771 134 R HA 0.282 4.622 4.340 0.000 0.000 0.274 134 R C -0.330 176.001 176.300 0.053 0.000 0.987 134 R CA -0.752 55.371 56.100 0.039 0.000 0.908 134 R CB 2.186 32.514 30.300 0.047 0.000 1.213 134 R HN 0.560 nan 8.270 nan 0.000 0.468 135 T N -1.175 113.409 114.554 0.049 0.000 2.856 135 T HA 0.225 4.576 4.350 0.000 0.000 0.292 135 T C -0.544 174.215 174.700 0.099 0.000 0.980 135 T CA -0.436 61.702 62.100 0.064 0.000 1.091 135 T CB 0.741 69.634 68.868 0.040 0.000 0.936 135 T HN 0.507 nan 8.240 nan 0.000 0.503 136 Y N 3.630 123.932 120.300 0.003 0.000 2.385 136 Y HA 0.433 4.983 4.550 0.000 0.000 0.341 136 Y C 0.304 176.237 175.900 0.055 0.000 0.965 136 Y CA -0.514 57.601 58.100 0.024 0.000 1.180 136 Y CB 0.646 39.113 38.460 0.013 0.000 1.139 136 Y HN 0.990 nan 8.280 nan 0.000 0.502 137 T N 1.859 116.299 114.554 -0.190 0.000 2.792 137 T HA 0.505 4.856 4.350 0.000 0.000 0.280 137 T C -0.318 174.294 174.700 -0.146 0.000 0.990 137 T CA -0.787 61.276 62.100 -0.062 0.000 0.960 137 T CB 1.367 70.222 68.868 -0.021 0.000 0.939 137 T HN 0.496 nan 8.240 nan 0.000 0.439 138 T N 2.846 117.416 114.554 0.027 0.000 2.824 138 T HA 0.704 5.054 4.350 0.000 0.000 0.280 138 T C -0.059 174.664 174.700 0.038 0.000 0.995 138 T CA -0.580 61.542 62.100 0.037 0.000 1.009 138 T CB 1.185 70.154 68.868 0.168 0.000 0.955 138 T HN 1.020 nan 8.240 nan 0.000 0.452 139 A N 2.182 125.012 122.820 0.016 0.000 2.317 139 A HA 0.847 5.168 4.320 0.000 0.000 0.327 139 A C -0.281 177.321 177.584 0.030 0.000 1.178 139 A CA -0.842 51.208 52.037 0.023 0.000 0.817 139 A CB 0.802 19.809 19.000 0.011 0.000 1.189 139 A HN 1.006 nan 8.150 nan 0.000 0.489 140 A N 2.140 124.984 122.820 0.040 0.000 2.332 140 A HA 0.622 4.942 4.320 0.000 0.000 0.300 140 A C -0.911 176.716 177.584 0.071 0.000 1.153 140 A CA -0.395 51.673 52.037 0.052 0.000 0.764 140 A CB 0.987 20.021 19.000 0.056 0.000 1.174 140 A HN 1.038 nan 8.150 nan 0.000 0.467 141 V N 3.697 123.649 119.914 0.063 0.000 2.347 141 V HA 0.202 4.323 4.120 0.000 0.000 0.280 141 V C 0.137 176.298 176.094 0.110 0.000 1.021 141 V CA -0.735 61.611 62.300 0.075 0.000 0.847 141 V CB 1.190 33.029 31.823 0.027 0.000 0.990 141 V HN 0.936 nan 8.190 nan 0.000 0.444 142 W N 8.567 129.846 121.300 -0.034 0.000 2.443 142 W HA 0.078 4.738 4.660 0.000 0.000 0.335 142 W C -1.505 174.970 176.519 -0.073 0.000 1.382 142 W CA -1.089 56.225 57.345 -0.052 0.000 1.305 142 W CB 1.225 30.682 29.460 -0.005 0.000 1.283 142 W HN 0.527 nan 8.180 nan 0.000 0.567 143 P HA 0.071 nan 4.420 nan 0.000 0.249 143 P C -0.436 176.575 177.300 -0.482 0.000 1.241 143 P CA 0.391 63.198 63.100 -0.488 0.000 0.781 143 P CB 0.211 31.645 31.700 -0.443 0.000 1.088 144 A N -0.252 122.193 122.820 -0.624 0.000 2.374 144 A HA 0.420 4.740 4.320 0.000 0.000 0.317 144 A C -0.097 177.439 177.584 -0.078 0.000 1.094 144 A CA -0.708 51.162 52.037 -0.279 0.000 0.765 144 A CB 1.230 20.104 19.000 -0.209 0.000 1.268 144 A HN -0.067 nan 8.150 nan 0.000 0.438 145 E N 0.453 120.624 120.200 -0.049 0.000 2.392 145 E HA 0.291 4.642 4.350 0.000 0.000 0.264 145 E C -0.757 175.821 176.600 -0.038 0.000 1.024 145 E CA 0.062 56.442 56.400 -0.033 0.000 0.903 145 E CB 0.998 30.677 29.700 -0.036 0.000 0.963 145 E HN 0.359 nan 8.360 nan 0.000 0.432 146 V N 2.384 122.227 119.914 -0.118 0.000 2.394 146 V HA 0.247 4.367 4.120 0.000 0.000 0.282 146 V C 0.179 176.203 176.094 -0.117 0.000 1.031 146 V CA -0.636 61.528 62.300 -0.227 0.000 0.881 146 V CB 1.339 32.790 31.823 -0.619 0.000 0.982 146 V HN 0.738 nan 8.190 nan 0.000 0.451 147 A N 5.691 128.481 122.820 -0.050 0.000 2.671 147 A HA 0.472 4.792 4.320 0.000 0.000 0.306 147 A C 0.070 177.653 177.584 -0.002 0.000 1.473 147 A CA -0.242 51.788 52.037 -0.012 0.000 1.155 147 A CB -0.459 18.553 19.000 0.020 0.000 1.123 147 A HN 0.695 nan 8.150 nan 0.000 0.545 148 V N 4.287 124.188 119.914 -0.022 0.000 2.529 148 V HA -0.009 4.111 4.120 0.000 0.000 0.292 148 V C 1.267 177.374 176.094 0.021 0.000 1.028 148 V CA 0.513 62.809 62.300 -0.007 0.000 1.074 148 V CB 0.520 32.324 31.823 -0.032 0.000 0.958 148 V HN 0.872 nan 8.190 nan 0.000 0.481 149 L N 3.704 124.957 121.223 0.050 0.000 2.467 149 L HA 0.574 4.914 4.340 0.000 0.000 0.213 149 L C 0.839 177.749 176.870 0.067 0.000 1.053 149 L CA 0.806 55.691 54.840 0.075 0.000 0.847 149 L CB 0.198 42.329 42.059 0.121 0.000 1.075 149 L HN 0.752 nan 8.230 nan 0.000 0.479 150 A N 0.159 122.986 122.820 0.011 0.000 2.589 150 A HA 0.568 4.888 4.320 0.000 0.000 0.296 150 A C -1.956 175.531 177.584 -0.163 0.000 1.062 150 A CA -0.647 51.333 52.037 -0.095 0.000 0.686 150 A CB 1.321 20.186 19.000 -0.225 0.000 1.282 150 A HN 0.160 nan 8.150 nan 0.000 0.404 151 D N 0.076 120.348 120.400 -0.214 0.000 2.596 151 D HA 0.736 5.376 4.640 0.000 0.000 0.234 151 D C -0.688 175.382 176.300 -0.383 0.000 1.181 151 D CA -0.159 53.677 54.000 -0.273 0.000 0.856 151 D CB 2.261 42.955 40.800 -0.178 0.000 1.498 151 D HN 1.366 nan 8.370 nan 0.000 0.446 152 A N 0.703 123.189 122.820 -0.557 0.000 2.547 152 A HA 0.613 4.933 4.320 0.000 0.000 0.297 152 A C -1.377 175.780 177.584 -0.712 0.000 1.056 152 A CA -0.736 50.845 52.037 -0.761 0.000 0.688 152 A CB 2.200 20.353 19.000 -1.412 0.000 1.282 152 A HN 0.630 nan 8.150 nan 0.000 0.400 153 E N 0.786 120.790 120.200 -0.327 0.000 2.308 153 E HA 0.666 5.016 4.350 0.000 0.000 0.275 153 E C -0.927 175.792 176.600 0.198 0.000 0.890 153 E CA -0.654 55.721 56.400 -0.043 0.000 0.754 153 E CB 2.053 31.732 29.700 -0.035 0.000 1.207 153 E HN 1.159 nan 8.360 nan 0.000 0.426 154 A N 4.315 127.325 122.820 0.316 0.000 2.331 154 A HA 0.769 5.089 4.320 0.000 0.000 0.320 154 A C -0.791 176.898 177.584 0.176 0.000 1.138 154 A CA -0.592 51.574 52.037 0.215 0.000 0.790 154 A CB 1.150 20.239 19.000 0.148 0.000 1.206 154 A HN 0.615 nan 8.150 nan 0.000 0.470 155 R N 1.150 121.723 120.500 0.122 0.000 2.515 155 R HA 0.573 4.913 4.340 0.000 0.000 0.278 155 R C -1.042 175.304 176.300 0.077 0.000 1.107 155 R CA -0.292 55.872 56.100 0.105 0.000 0.945 155 R CB 1.397 31.750 30.300 0.088 0.000 1.219 155 R HN 1.320 nan 8.270 nan 0.000 0.434 156 c N 2.238 120.881 118.600 0.072 0.000 3.285 156 c HA 0.667 5.237 4.570 0.000 0.000 0.320 156 c C -1.780 172.341 174.090 0.051 0.000 1.411 156 c CA -1.654 54.706 56.329 0.051 0.000 1.429 156 c CB 1.604 44.138 42.510 0.039 0.000 1.812 156 c HN 0.681 nan 8.230 nan 0.000 0.454 157 P HA 0.026 nan 4.420 nan 0.000 0.219 157 P C 1.488 178.816 177.300 0.047 0.000 1.146 157 P CA 2.530 65.655 63.100 0.042 0.000 0.808 157 P CB -0.076 31.643 31.700 0.032 0.000 0.779 158 A N -1.265 121.576 122.820 0.035 0.000 1.970 158 A HA 0.394 4.714 4.320 0.000 0.000 0.216 158 A C 1.193 178.799 177.584 0.036 0.000 1.170 158 A CA 1.297 53.350 52.037 0.026 0.000 0.645 158 A CB -0.504 18.492 19.000 -0.007 0.000 0.816 158 A HN 0.288 nan 8.150 nan 0.000 0.447 159 A N -2.037 120.814 122.820 0.051 0.000 2.604 159 A HA 0.590 4.911 4.320 0.000 0.000 0.295 159 A C -1.294 176.384 177.584 0.158 0.000 1.067 159 A CA -0.047 52.048 52.037 0.097 0.000 0.683 159 A CB 0.957 19.945 19.000 -0.019 0.000 1.281 159 A HN 1.079 nan 8.150 nan 0.000 0.407 160 V N 1.828 121.874 119.914 0.220 0.000 2.789 160 V HA 0.879 4.999 4.120 0.000 0.000 0.311 160 V C -2.110 174.172 176.094 0.313 0.000 1.073 160 V CA -0.580 61.854 62.300 0.224 0.000 0.921 160 V CB 1.849 33.764 31.823 0.154 0.000 1.009 160 V HN 1.342 nan 8.190 nan 0.000 0.426 161 F N 7.241 127.268 119.950 0.129 0.000 2.617 161 F HA 0.599 5.127 4.527 0.001 0.000 0.325 161 F C -1.082 174.842 175.800 0.207 0.000 1.179 161 F CA -1.108 56.958 58.000 0.110 0.000 0.965 161 F CB 1.567 40.612 39.000 0.074 0.000 1.232 161 F HN 0.575 nan 8.300 nan 0.000 0.461 162 N N 5.340 124.140 118.700 0.166 0.000 2.314 162 N HA 0.573 5.313 4.740 0.000 0.000 0.294 162 N C -2.107 173.287 175.510 -0.194 0.000 1.029 162 N CA -0.212 52.775 53.050 -0.105 0.000 0.845 162 N CB 2.571 41.032 38.487 -0.043 0.000 1.321 162 N HN 0.362 nan 8.380 nan 0.000 0.481 163 V N 2.697 122.354 119.914 -0.429 0.000 2.409 163 V HA 0.431 4.551 4.120 0.000 0.000 0.291 163 V C -0.156 175.759 176.094 -0.298 0.000 1.020 163 V CA -0.480 61.612 62.300 -0.346 0.000 0.848 163 V CB 1.515 33.078 31.823 -0.433 0.000 0.990 163 V HN 0.667 nan 8.190 nan 0.000 0.430 164 T N 6.906 121.359 114.554 -0.168 0.000 2.772 164 T HA 0.630 4.981 4.350 0.000 0.000 0.288 164 T C -0.403 174.296 174.700 -0.002 0.000 0.994 164 T CA -0.280 61.778 62.100 -0.070 0.000 0.951 164 T CB 0.768 69.659 68.868 0.038 0.000 0.933 164 T HN 0.332 nan 8.240 nan 0.000 0.447 165 L N 2.908 124.140 121.223 0.014 0.000 2.307 165 L HA 0.807 5.148 4.340 0.000 0.000 0.284 165 L C 0.764 177.746 176.870 0.186 0.000 1.023 165 L CA -0.609 54.307 54.840 0.126 0.000 0.810 165 L CB 1.575 43.702 42.059 0.112 0.000 1.231 165 L HN 0.766 nan 8.230 nan 0.000 0.423 166 G N 1.480 110.462 108.800 0.304 0.000 2.818 166 G HA2 0.450 4.411 3.960 0.000 0.000 0.286 166 G HA3 0.450 4.411 3.960 0.000 0.000 0.286 166 G C -1.168 173.890 174.900 0.263 0.000 1.364 166 G CA -0.594 44.641 45.100 0.225 0.000 0.938 166 G HN 0.539 nan 8.290 nan 0.000 0.490 167 E N 0.251 120.564 120.200 0.188 0.000 2.328 167 E HA 0.362 4.712 4.350 0.000 0.000 0.265 167 E C 0.781 177.556 176.600 0.293 0.000 1.057 167 E CA 0.857 57.371 56.400 0.191 0.000 0.916 167 E CB 0.851 30.625 29.700 0.124 0.000 0.993 167 E HN 1.092 nan 8.360 nan 0.000 0.446 168 A N 3.661 126.695 122.820 0.357 0.000 2.799 168 A HA -0.245 4.076 4.320 0.000 0.000 0.287 168 A C -0.391 177.548 177.584 0.592 0.000 1.484 168 A CA 1.144 53.486 52.037 0.510 0.000 0.813 168 A CB -1.984 17.262 19.000 0.410 0.000 1.009 168 A HN 0.523 nan 8.150 nan 0.000 0.545 169 F N -1.618 118.540 119.950 0.346 0.000 2.574 169 F HA 0.626 5.154 4.527 0.000 0.000 0.313 169 F C -0.953 174.695 175.800 -0.253 0.000 1.130 169 F CA -1.167 56.810 58.000 -0.038 0.000 0.936 169 F CB 1.442 40.405 39.000 -0.062 0.000 1.219 169 F HN 0.360 nan 8.300 nan 0.000 0.445 170 L N 5.827 126.288 121.223 -1.269 0.000 2.349 170 L HA 0.877 5.217 4.340 0.000 0.000 0.278 170 L C -0.845 175.222 176.870 -1.338 0.000 0.996 170 L CA -0.224 53.965 54.840 -1.085 0.000 0.825 170 L CB 1.816 43.205 42.059 -1.117 0.000 1.243 170 L HN 0.710 nan 8.230 nan 0.000 0.412 171 G N 5.669 113.936 108.800 -0.888 0.000 2.502 171 G HA2 0.579 4.540 3.960 0.000 0.000 0.311 171 G HA3 0.579 4.540 3.960 0.000 0.000 0.311 171 G C -1.806 172.939 174.900 -0.258 0.000 1.270 171 G CA -0.414 44.363 45.100 -0.538 0.000 0.948 171 G HN 0.703 nan 8.290 nan 0.000 0.487 172 L N 2.699 123.793 121.223 -0.216 0.000 2.381 172 L HA 0.734 5.074 4.340 0.000 0.000 0.274 172 L C -0.343 176.497 176.870 -0.050 0.000 0.988 172 L CA -1.015 53.769 54.840 -0.094 0.000 0.824 172 L CB 1.861 43.876 42.059 -0.074 0.000 1.263 172 L HN 0.459 nan 8.230 nan 0.000 0.410 173 R N 4.301 124.809 120.500 0.012 0.000 2.476 173 R HA 0.669 5.009 4.340 0.000 0.000 0.305 173 R C -2.054 174.270 176.300 0.042 0.000 0.965 173 R CA -0.473 55.632 56.100 0.008 0.000 0.867 173 R CB 2.134 32.445 30.300 0.019 0.000 1.176 173 R HN 0.479 nan 8.270 nan 0.000 0.447 174 V N 3.432 123.267 119.914 -0.131 0.000 2.588 174 V HA 0.889 5.010 4.120 0.000 0.000 0.304 174 V C -1.396 174.457 176.094 -0.403 0.000 1.042 174 V CA -0.298 61.809 62.300 -0.322 0.000 0.877 174 V CB 1.776 33.155 31.823 -0.739 0.000 0.996 174 V HN 0.927 nan 8.190 nan 0.000 0.425 175 A N 6.029 128.778 122.820 -0.118 0.000 2.488 175 A HA 0.841 5.161 4.320 0.000 0.000 0.298 175 A C -1.949 175.832 177.584 0.328 0.000 1.044 175 A CA -0.520 51.584 52.037 0.111 0.000 0.693 175 A CB 1.792 20.890 19.000 0.162 0.000 1.272 175 A HN 0.989 nan 8.150 nan 0.000 0.402 176 L N 1.553 123.083 121.223 0.512 0.000 2.322 176 L HA 0.564 4.904 4.340 0.000 0.000 0.281 176 L C 0.659 177.771 176.870 0.402 0.000 1.014 176 L CA -0.465 54.626 54.840 0.418 0.000 0.815 176 L CB 1.510 43.833 42.059 0.440 0.000 1.247 176 L HN 0.835 nan 8.230 nan 0.000 0.421 177 R N 3.032 123.683 120.500 0.252 0.000 2.537 177 R HA 0.107 4.447 4.340 0.000 0.000 0.281 177 R C 0.841 177.241 176.300 0.167 0.000 0.988 177 R CA 1.273 57.478 56.100 0.176 0.000 1.077 177 R CB 0.178 30.539 30.300 0.102 0.000 0.932 177 R HN 1.012 nan 8.270 nan 0.000 0.409 178 S N 1.281 116.999 115.700 0.030 0.000 3.228 178 S HA -0.195 4.275 4.470 0.000 0.000 0.282 178 S C -0.400 173.899 174.600 -0.501 0.000 1.286 178 S CA 1.122 59.200 58.200 -0.203 0.000 1.066 178 S CB -2.166 60.871 63.200 -0.272 0.000 1.277 178 S HN 0.489 nan 8.310 nan 0.000 0.661 179 F N 0.683 120.689 119.950 0.094 0.000 2.577 179 F HA 0.695 5.222 4.527 0.000 0.000 0.318 179 F C 0.606 176.507 175.800 0.169 0.000 1.065 179 F CA -1.341 56.723 58.000 0.106 0.000 0.929 179 F CB 1.147 40.198 39.000 0.085 0.000 1.237 179 F HN 0.091 nan 8.300 nan 0.000 0.468 180 L N 3.654 125.086 121.223 0.348 0.000 2.455 180 L HA 0.213 4.553 4.340 0.000 0.000 0.272 180 L C -2.151 174.957 176.870 0.397 0.000 1.174 180 L CA -1.689 53.342 54.840 0.318 0.000 0.869 180 L CB -0.099 42.130 42.059 0.284 0.000 1.130 180 L HN 0.282 nan 8.230 nan 0.000 0.474 181 P HA 0.084 nan 4.420 nan 0.000 0.269 181 P C -0.828 176.598 177.300 0.210 0.000 1.209 181 P CA -0.392 62.849 63.100 0.236 0.000 0.776 181 P CB 0.658 32.455 31.700 0.161 0.000 0.876 182 L N 2.150 123.425 121.223 0.087 0.000 2.287 182 L HA 0.467 4.808 4.340 0.000 0.000 0.287 182 L C -0.300 176.555 176.870 -0.025 0.000 1.022 182 L CA -0.305 54.567 54.840 0.054 0.000 0.814 182 L CB 0.986 43.084 42.059 0.066 0.000 1.217 182 L HN 0.291 nan 8.230 nan 0.000 0.420 183 E N 3.665 123.863 120.200 -0.002 0.000 2.191 183 E HA 0.657 5.008 4.350 0.000 0.000 0.263 183 E C -1.809 174.771 176.600 -0.034 0.000 0.881 183 E CA -0.588 55.797 56.400 -0.024 0.000 0.757 183 E CB 1.671 31.366 29.700 -0.008 0.000 1.147 183 E HN 0.509 nan 8.360 nan 0.000 0.414 184 V N 5.795 125.663 119.914 -0.077 0.000 2.656 184 V HA 0.486 4.607 4.120 0.000 0.000 0.307 184 V C -0.382 175.582 176.094 -0.217 0.000 1.051 184 V CA -0.690 61.548 62.300 -0.102 0.000 0.893 184 V CB 1.876 33.641 31.823 -0.097 0.000 0.999 184 V HN 0.691 nan 8.190 nan 0.000 0.426 185 I N 5.108 125.544 120.570 -0.224 0.000 2.406 185 I HA 0.516 4.687 4.170 0.000 0.000 0.290 185 I C -0.773 175.134 176.117 -0.350 0.000 0.999 185 I CA -0.403 60.608 61.300 -0.482 0.000 1.124 185 I CB 1.869 39.488 38.000 -0.635 0.000 1.289 185 I HN 0.421 nan 8.210 nan 0.000 0.441 186 I N 5.090 125.291 120.570 -0.615 0.000 2.362 186 I HA 0.370 4.540 4.170 0.000 0.000 0.289 186 I C -0.013 175.838 176.117 -0.443 0.000 0.994 186 I CA -0.179 60.834 61.300 -0.478 0.000 1.158 186 I CB 1.747 39.336 38.000 -0.686 0.000 1.315 186 I HN 0.448 nan 8.210 nan 0.000 0.451 187 S N 3.456 119.217 115.700 0.102 0.000 2.542 187 S HA 0.657 5.127 4.470 0.000 0.000 0.293 187 S C 0.735 175.746 174.600 0.684 0.000 1.089 187 S CA -0.259 58.174 58.200 0.388 0.000 0.961 187 S CB 1.906 65.466 63.200 0.600 0.000 1.062 187 S HN 0.702 nan 8.310 nan 0.000 0.483 188 A N 2.345 125.591 122.820 0.711 0.000 2.066 188 A HA 0.123 4.443 4.320 0.000 0.000 0.218 188 A C 0.735 178.627 177.584 0.514 0.000 1.157 188 A CA 0.746 53.130 52.037 0.579 0.000 0.670 188 A CB -0.466 18.791 19.000 0.428 0.000 0.804 188 A HN 0.849 nan 8.150 nan 0.000 0.453 189 E N -0.219 120.285 120.200 0.507 0.000 2.214 189 E HA 0.480 4.831 4.350 0.000 0.000 0.274 189 E C -0.526 176.232 176.600 0.264 0.000 0.977 189 E CA -0.934 55.673 56.400 0.344 0.000 0.827 189 E CB 1.186 31.038 29.700 0.254 0.000 1.130 189 E HN 0.228 nan 8.360 nan 0.000 0.394 190 R N 3.125 123.565 120.500 -0.099 0.000 2.229 190 R HA 0.226 4.566 4.340 0.000 0.000 0.328 190 R C -0.233 176.060 176.300 -0.012 0.000 1.009 190 R CA -0.703 55.246 56.100 -0.251 0.000 0.864 190 R CB 0.859 30.806 30.300 -0.587 0.000 1.085 190 R HN 0.561 nan 8.270 nan 0.000 0.453 191 M N 3.430 123.098 119.600 0.112 0.000 2.217 191 M HA 0.182 4.663 4.480 0.000 0.000 0.354 191 M C 0.328 176.630 176.300 0.002 0.000 1.225 191 M CA -0.007 55.285 55.300 -0.012 0.000 1.137 191 M CB 0.696 33.235 32.600 -0.101 0.000 1.576 191 M HN 0.434 nan 8.290 nan 0.000 0.461 192 R N 2.414 122.893 120.500 -0.036 0.000 2.486 192 R HA 0.094 4.434 4.340 0.000 0.000 0.303 192 R C -0.403 175.896 176.300 -0.002 0.000 0.958 192 R CA 0.599 56.686 56.100 -0.022 0.000 1.077 192 R CB 0.071 30.351 30.300 -0.034 0.000 0.921 192 R HN 0.573 nan 8.270 nan 0.000 0.406 193 M N 3.395 123.002 119.600 0.012 0.000 2.472 193 M HA 0.357 4.838 4.480 0.000 0.000 0.331 193 M C -0.205 176.103 176.300 0.013 0.000 1.170 193 M CA -0.707 54.606 55.300 0.022 0.000 1.009 193 M CB 1.843 34.465 32.600 0.037 0.000 1.672 193 M HN 0.372 nan 8.290 nan 0.000 0.453 194 I N 2.234 122.813 120.570 0.015 0.000 2.471 194 I HA 0.300 4.471 4.170 0.000 0.000 0.286 194 I C 0.177 176.302 176.117 0.013 0.000 1.079 194 I CA -0.142 61.165 61.300 0.012 0.000 1.398 194 I CB 0.633 38.641 38.000 0.013 0.000 1.403 194 I HN 0.677 nan 8.210 nan 0.000 0.530 195 A N 7.736 130.562 122.820 0.010 0.000 2.355 195 A HA 0.824 5.144 4.320 0.000 0.000 0.324 195 A C -2.358 175.231 177.584 0.009 0.000 1.117 195 A CA -1.451 50.592 52.037 0.010 0.000 0.785 195 A CB 0.398 19.403 19.000 0.008 0.000 1.254 195 A HN 0.525 nan 8.150 nan 0.000 0.453 196 P HA 0.453 nan 4.420 nan 0.000 0.268 196 P C -2.102 175.202 177.300 0.007 0.000 1.205 196 P CA -0.443 62.662 63.100 0.009 0.000 0.771 196 P CB -0.281 31.424 31.700 0.009 0.000 0.858 212 R N -0.571 119.856 120.500 -0.121 0.000 2.119 212 R HA 0.233 4.573 4.340 0.000 0.000 0.222 212 R C 0.099 176.127 176.300 -0.453 0.000 1.088 212 R CA 0.821 56.750 56.100 -0.285 0.000 0.984 212 R CB -0.056 29.985 30.300 -0.430 0.000 0.884 212 R HN 0.233 nan 8.270 nan 0.000 0.447 213 F N -0.264 119.803 119.950 0.196 0.000 2.556 213 F HA 0.350 4.877 4.527 0.000 0.000 0.327 213 F C 0.002 175.631 175.800 -0.286 0.000 1.059 213 F CA -1.083 56.925 58.000 0.014 0.000 0.953 213 F CB 1.289 40.316 39.000 0.044 0.000 1.227 213 F HN -0.137 nan 8.300 nan 0.000 0.478 214 H N -0.118 119.167 119.070 0.359 0.000 2.547 214 H HA 0.625 5.182 4.556 0.000 0.000 0.342 214 H C -1.068 174.236 175.328 -0.040 0.000 1.048 214 H CA -0.808 55.310 56.048 0.117 0.000 1.204 214 H CB 1.647 31.495 29.762 0.143 0.000 1.493 214 H HN 0.276 nan 8.280 nan 0.000 0.511 215 V N 4.406 124.235 119.914 -0.142 0.000 2.427 215 V HA 0.275 4.396 4.120 0.000 0.000 0.286 215 V C -0.834 175.025 176.094 -0.392 0.000 1.034 215 V CA -0.647 61.548 62.300 -0.174 0.000 0.893 215 V CB 0.363 32.131 31.823 -0.091 0.000 0.982 215 V HN 0.688 nan 8.190 nan 0.000 0.452 216 Y N 1.569 121.880 120.300 0.017 0.000 2.391 216 Y HA 0.616 5.166 4.550 0.000 0.000 0.341 216 Y C 0.424 176.320 175.900 -0.007 0.000 0.965 216 Y CA -0.747 57.381 58.100 0.048 0.000 1.067 216 Y CB 2.330 40.861 38.460 0.120 0.000 1.199 216 Y HN 0.501 nan 8.280 nan 0.000 0.450 217 T N 4.943 119.578 114.554 0.136 0.000 2.812 217 T HA 0.590 4.941 4.350 0.000 0.000 0.282 217 T C -0.748 173.991 174.700 0.065 0.000 0.990 217 T CA -0.675 61.468 62.100 0.070 0.000 0.960 217 T CB 0.507 69.403 68.868 0.045 0.000 0.948 217 T HN 0.361 nan 8.240 nan 0.000 0.438 218 L N 3.047 124.288 121.223 0.030 0.000 2.305 218 L HA 0.858 5.198 4.340 0.000 0.000 0.284 218 L C 0.720 177.546 176.870 -0.072 0.000 1.013 218 L CA -0.286 54.546 54.840 -0.014 0.000 0.819 218 L CB 1.362 43.424 42.059 0.005 0.000 1.227 218 L HN 0.932 nan 8.230 nan 0.000 0.417 219 G N 1.324 110.011 108.800 -0.188 0.000 2.337 219 G HA2 0.194 4.155 3.960 0.000 0.000 0.298 219 G HA3 0.194 4.155 3.960 0.000 0.000 0.298 219 G C -1.073 173.596 174.900 -0.384 0.000 1.335 219 G CA -0.815 44.119 45.100 -0.276 0.000 0.875 219 G HN 0.158 nan 8.290 nan 0.000 0.579 220 F N 0.415 120.420 119.950 0.092 0.000 2.898 220 F HA 0.432 4.959 4.527 0.001 0.000 0.290 220 F C 0.778 176.618 175.800 0.066 0.000 1.195 220 F CA -0.438 57.608 58.000 0.076 0.000 1.387 220 F CB 0.139 39.182 39.000 0.073 0.000 0.976 220 F HN 0.020 nan 8.300 nan 0.000 0.510 221 L N 0.198 121.507 121.223 0.144 0.000 2.418 221 L HA 0.160 4.500 4.340 0.000 0.000 0.274 221 L C 0.941 177.862 176.870 0.085 0.000 1.135 221 L CA 0.451 55.355 54.840 0.107 0.000 0.870 221 L CB 0.277 42.384 42.059 0.080 0.000 1.154 221 L HN 0.057 nan 8.230 nan 0.000 0.462 222 S N 0.903 116.641 115.700 0.063 0.000 2.608 222 S HA 0.010 4.480 4.470 0.000 0.000 0.261 222 S C 1.127 175.700 174.600 -0.044 0.000 1.314 222 S CA -0.137 58.076 58.200 0.020 0.000 0.992 222 S CB 0.631 63.838 63.200 0.010 0.000 0.935 222 S HN 0.871 nan 8.310 nan 0.000 0.564 223 D N 1.159 121.488 120.400 -0.120 0.000 2.191 223 D HA -0.173 4.468 4.640 0.000 0.000 0.195 223 D C 1.726 177.756 176.300 -0.450 0.000 1.003 223 D CA 1.551 55.330 54.000 -0.369 0.000 0.867 223 D CB -0.608 39.923 40.800 -0.449 0.000 0.926 223 D HN 0.546 nan 8.370 nan 0.000 0.450 224 G N 0.447 109.115 108.800 -0.221 0.000 2.459 224 G HA2 -0.186 3.774 3.960 0.000 0.000 0.217 224 G HA3 -0.186 3.774 3.960 0.000 0.000 0.217 224 G C 1.746 176.616 174.900 -0.050 0.000 1.183 224 G CA 1.230 46.255 45.100 -0.124 0.000 0.776 224 G HN 0.520 nan 8.290 nan 0.000 0.552 225 A N -0.525 122.286 122.820 -0.016 0.000 2.072 225 A HA 0.298 4.618 4.320 0.000 0.000 0.216 225 A C 2.218 179.834 177.584 0.054 0.000 1.156 225 A CA 1.755 53.812 52.037 0.033 0.000 0.701 225 A CB -0.205 18.827 19.000 0.053 0.000 0.816 225 A HN 0.371 nan 8.150 nan 0.000 0.458 226 M N -0.733 118.894 119.600 0.046 0.000 2.123 226 M HA -0.056 4.424 4.480 0.000 0.000 0.263 226 M C 1.798 178.211 176.300 0.188 0.000 1.069 226 M CA 1.728 57.091 55.300 0.105 0.000 1.133 226 M CB -0.565 32.101 32.600 0.111 0.000 1.356 226 M HN 0.480 nan 8.290 nan 0.000 0.415 227 H N -0.281 118.800 119.070 0.018 0.000 2.353 227 H HA -0.113 4.443 4.556 0.000 0.000 0.300 227 H C 2.017 177.346 175.328 0.002 0.000 1.090 227 H CA 1.904 57.957 56.048 0.009 0.000 1.327 227 H CB -0.737 29.030 29.762 0.010 0.000 1.383 227 H HN 0.577 nan 8.280 nan 0.000 0.508 228 Q N 0.272 120.151 119.800 0.132 0.000 1.993 228 Q HA -0.159 4.182 4.340 0.000 0.000 0.202 228 Q C 1.826 177.850 176.000 0.040 0.000 0.984 228 Q CA 2.370 58.215 55.803 0.071 0.000 0.837 228 Q CB -0.030 28.745 28.738 0.063 0.000 0.902 228 Q HN 0.437 nan 8.270 nan 0.000 0.423 229 T N 1.145 115.729 114.554 0.049 0.000 2.684 229 T HA -0.210 4.140 4.350 0.000 0.000 0.267 229 T C 1.815 176.504 174.700 -0.017 0.000 1.036 229 T CA 1.777 63.891 62.100 0.024 0.000 1.148 229 T CB -0.251 68.649 68.868 0.052 0.000 0.863 229 T HN 0.270 nan 8.240 nan 0.000 0.436 230 M N 0.381 119.984 119.600 0.005 0.000 2.117 230 M HA -0.064 4.416 4.480 0.000 0.000 0.262 230 M C 2.443 178.715 176.300 -0.046 0.000 1.065 230 M CA 1.623 56.910 55.300 -0.021 0.000 1.114 230 M CB -0.101 32.495 32.600 -0.006 0.000 1.361 230 M HN 0.066 nan 8.290 nan 0.000 0.408 231 R N -0.250 120.228 120.500 -0.037 0.000 2.075 231 R HA -0.129 4.211 4.340 0.000 0.000 0.232 231 R C 1.707 177.939 176.300 -0.114 0.000 1.126 231 R CA 1.628 57.699 56.100 -0.049 0.000 0.963 231 R CB -0.497 29.791 30.300 -0.021 0.000 0.858 231 R HN 0.371 nan 8.270 nan 0.000 0.435 232 D N 0.080 120.373 120.400 -0.178 0.000 2.097 232 D HA -0.125 4.516 4.640 0.000 0.000 0.195 232 D C 1.945 177.782 176.300 -0.771 0.000 0.989 232 D CA 1.037 54.779 54.000 -0.430 0.000 0.827 232 D CB -0.248 40.349 40.800 -0.337 0.000 0.966 232 D HN -0.043 nan 8.370 nan 0.000 0.456 233 V N 1.071 120.720 119.914 -0.441 0.000 2.407 233 V HA -0.232 3.888 4.120 0.000 0.000 0.248 233 V C 2.409 178.403 176.094 -0.166 0.000 1.055 233 V CA 1.793 63.925 62.300 -0.281 0.000 1.049 233 V CB -0.826 30.934 31.823 -0.104 0.000 0.662 233 V HN 0.213 nan 8.190 nan 0.000 0.455 234 A N 0.027 122.785 122.820 -0.103 0.000 1.898 234 A HA -0.078 4.243 4.320 0.000 0.000 0.216 234 A C 2.443 180.110 177.584 0.138 0.000 1.181 234 A CA 1.934 53.998 52.037 0.044 0.000 0.620 234 A CB -0.776 18.291 19.000 0.111 0.000 0.819 234 A HN 0.563 nan 8.150 nan 0.000 0.442 235 A N -1.040 121.792 122.820 0.019 0.000 1.940 235 A HA -0.087 4.233 4.320 0.000 0.000 0.219 235 A C 2.080 179.767 177.584 0.172 0.000 1.176 235 A CA 1.694 53.775 52.037 0.073 0.000 0.631 235 A CB -0.770 18.221 19.000 -0.014 0.000 0.814 235 A HN 0.562 nan 8.150 nan 0.000 0.446 236 Y N -0.943 119.401 120.300 0.074 0.000 2.114 236 Y HA -0.121 4.429 4.550 0.000 0.000 0.284 236 Y C 2.706 178.625 175.900 0.032 0.000 1.143 236 Y CA 0.548 58.681 58.100 0.054 0.000 1.135 236 Y CB -1.408 37.063 38.460 0.019 0.000 0.980 236 Y HN 0.132 nan 8.280 nan 0.000 0.499 237 V N -0.082 119.902 119.914 0.116 0.000 2.490 237 V HA -0.290 3.831 4.120 0.000 0.000 0.250 237 V C 1.539 177.611 176.094 -0.036 0.000 1.061 237 V CA 2.236 64.511 62.300 -0.041 0.000 1.064 237 V CB -0.463 31.235 31.823 -0.209 0.000 0.670 237 V HN 0.553 nan 8.190 nan 0.000 0.461 238 H N -1.090 118.099 119.070 0.199 0.000 2.553 238 H HA 0.116 4.672 4.556 0.000 0.000 0.265 238 H C 2.085 177.503 175.328 0.150 0.000 0.964 238 H CA 0.616 56.770 56.048 0.177 0.000 1.156 238 H CB 0.340 30.178 29.762 0.126 0.000 1.411 238 H HN 0.514 nan 8.280 nan 0.000 0.558 239 E N 0.758 121.105 120.200 0.246 0.000 2.097 239 E HA -0.131 4.219 4.350 0.000 0.000 0.196 239 E C 0.133 176.846 176.600 0.187 0.000 1.000 239 E CA 0.993 57.521 56.400 0.214 0.000 0.804 239 E CB 0.249 30.092 29.700 0.239 0.000 0.740 239 E HN 0.201 nan 8.360 nan 0.000 0.454 240 S N -1.214 114.595 115.700 0.182 0.000 2.542 240 S HA 0.124 4.594 4.470 0.000 0.000 0.276 240 S C -0.984 173.710 174.600 0.157 0.000 1.148 240 S CA -0.842 57.452 58.200 0.156 0.000 0.886 240 S CB 1.530 64.819 63.200 0.147 0.000 1.109 240 S HN 0.081 nan 8.310 nan 0.000 0.458 241 D N 1.666 122.154 120.400 0.146 0.000 2.355 241 D HA 0.101 4.741 4.640 0.000 0.000 0.218 241 D C -0.084 176.299 176.300 0.137 0.000 1.004 241 D CA 0.488 54.576 54.000 0.146 0.000 0.880 241 D CB 0.099 40.976 40.800 0.127 0.000 0.911 241 D HN 0.558 nan 8.370 nan 0.000 0.528 242 D N 0.162 120.632 120.400 0.116 0.000 2.339 242 D HA -0.050 4.590 4.640 0.000 0.000 0.241 242 D C 1.224 177.571 176.300 0.078 0.000 1.183 242 D CA -0.547 53.505 54.000 0.086 0.000 0.859 242 D CB 0.365 41.183 40.800 0.031 0.000 1.067 242 D HN 0.123 nan 8.370 nan 0.000 0.484 243 Y N 3.416 123.777 120.300 0.100 0.000 2.333 243 Y HA -0.081 4.470 4.550 0.000 0.000 0.290 243 Y C 1.277 177.227 175.900 0.084 0.000 1.144 243 Y CA 0.941 59.113 58.100 0.119 0.000 1.228 243 Y CB -0.473 38.119 38.460 0.220 0.000 0.985 243 Y HN 0.380 nan 8.280 nan 0.000 0.542 244 L N 0.536 121.314 121.223 -0.743 0.000 2.109 244 L HA -0.061 4.279 4.340 0.000 0.000 0.207 244 L C 2.888 179.642 176.870 -0.193 0.000 1.086 244 L CA 1.003 55.524 54.840 -0.531 0.000 0.760 244 L CB -0.756 40.981 42.059 -0.538 0.000 0.910 244 L HN 0.426 nan 8.230 nan 0.000 0.437 245 A N -0.897 121.867 122.820 -0.093 0.000 1.929 245 A HA -0.165 4.155 4.320 0.000 0.000 0.216 245 A C 2.258 179.817 177.584 -0.041 0.000 1.176 245 A CA 0.978 53.031 52.037 0.026 0.000 0.628 245 A CB -0.258 18.814 19.000 0.119 0.000 0.816 245 A HN 0.338 nan 8.150 nan 0.000 0.444 246 Q N -0.883 118.910 119.800 -0.013 0.000 2.084 246 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 246 Q C 2.042 177.994 176.000 -0.080 0.000 0.978 246 Q CA 1.112 56.904 55.803 -0.018 0.000 0.844 246 Q CB -0.523 28.260 28.738 0.074 0.000 0.898 246 Q HN 0.541 nan 8.270 nan 0.000 0.426 247 L N 0.681 121.883 121.223 -0.036 0.000 2.093 247 L HA -0.096 4.244 4.340 0.000 0.000 0.208 247 L C 2.225 179.084 176.870 -0.020 0.000 1.085 247 L CA 1.533 56.376 54.840 0.005 0.000 0.755 247 L CB -0.761 41.336 42.059 0.063 0.000 0.904 247 L HN 0.028 nan 8.230 nan 0.000 0.435 248 S N -0.407 115.180 115.700 -0.188 0.000 2.359 248 S HA -0.226 4.245 4.470 0.000 0.000 0.224 248 S C 2.086 176.176 174.600 -0.851 0.000 1.035 248 S CA 1.289 59.254 58.200 -0.391 0.000 1.018 248 S CB -0.564 62.437 63.200 -0.331 0.000 0.876 248 S HN 0.632 nan 8.310 nan 0.000 0.448 249 A N 1.357 123.546 122.820 -1.052 0.000 1.930 249 A HA 0.153 4.473 4.320 0.000 0.000 0.217 249 A C 2.341 179.667 177.584 -0.431 0.000 1.175 249 A CA 1.647 53.142 52.037 -0.903 0.000 0.627 249 A CB -1.021 17.681 19.000 -0.497 0.000 0.815 249 A HN 0.515 nan 8.150 nan 0.000 0.443 250 A N -0.713 121.928 122.820 -0.298 0.000 1.902 250 A HA -0.178 4.142 4.320 0.000 0.000 0.217 250 A C 1.946 179.395 177.584 -0.224 0.000 1.181 250 A CA 1.975 53.874 52.037 -0.230 0.000 0.623 250 A CB -0.897 17.997 19.000 -0.178 0.000 0.818 250 A HN 0.670 nan 8.150 nan 0.000 0.443 251 H N -0.515 118.446 119.070 -0.182 0.000 2.321 251 H HA 0.033 4.590 4.556 0.000 0.000 0.300 251 H C 2.468 177.828 175.328 0.053 0.000 1.087 251 H CA 1.862 57.850 56.048 -0.101 0.000 1.319 251 H CB -0.129 29.519 29.762 -0.190 0.000 1.379 251 H HN 0.517 nan 8.280 nan 0.000 0.501 252 A N 0.589 123.496 122.820 0.144 0.000 1.933 252 A HA -0.098 4.222 4.320 0.000 0.000 0.218 252 A C 2.479 180.033 177.584 -0.050 0.000 1.175 252 A CA 1.521 53.575 52.037 0.028 0.000 0.628 252 A CB -0.973 17.940 19.000 -0.146 0.000 0.814 252 A HN 0.482 nan 8.150 nan 0.000 0.444 253 A N -0.262 122.491 122.820 -0.113 0.000 1.930 253 A HA 0.245 4.565 4.320 0.000 0.000 0.217 253 A C 2.457 179.960 177.584 -0.135 0.000 1.175 253 A CA 1.790 53.743 52.037 -0.140 0.000 0.627 253 A CB -0.865 18.020 19.000 -0.192 0.000 0.815 253 A HN 0.983 nan 8.150 nan 0.000 0.443 254 A N -0.450 122.298 122.820 -0.119 0.000 1.930 254 A HA 0.009 4.329 4.320 0.000 0.000 0.217 254 A C 2.088 179.636 177.584 -0.061 0.000 1.175 254 A CA 1.605 53.584 52.037 -0.098 0.000 0.627 254 A CB -0.571 18.351 19.000 -0.131 0.000 0.815 254 A HN 0.636 nan 8.150 nan 0.000 0.443 255 L N -0.027 121.180 121.223 -0.027 0.000 2.012 255 L HA -0.110 4.230 4.340 0.000 0.000 0.210 255 L C 2.659 179.477 176.870 -0.086 0.000 1.073 255 L CA 2.261 57.098 54.840 -0.006 0.000 0.748 255 L CB -0.832 41.285 42.059 0.097 0.000 0.891 255 L HN 0.343 nan 8.230 nan 0.000 0.431 256 A N -0.555 122.147 122.820 -0.195 0.000 1.908 256 A HA -0.145 4.176 4.320 0.000 0.000 0.218 256 A C 2.432 179.804 177.584 -0.354 0.000 1.181 256 A CA 1.966 53.741 52.037 -0.437 0.000 0.627 256 A CB -1.166 17.355 19.000 -0.798 0.000 0.818 256 A HN 0.597 nan 8.150 nan 0.000 0.445 257 A N -0.238 122.490 122.820 -0.153 0.000 1.968 257 A HA 0.078 4.398 4.320 0.000 0.000 0.217 257 A C 2.326 179.937 177.584 0.045 0.000 1.169 257 A CA 1.911 53.974 52.037 0.043 0.000 0.638 257 A CB -1.050 18.000 19.000 0.084 0.000 0.812 257 A HN 1.170 nan 8.150 nan 0.000 0.446 258 V N -2.695 117.222 119.914 0.004 0.000 2.379 258 V HA -0.103 4.017 4.120 0.000 0.000 0.245 258 V C 2.104 178.208 176.094 0.016 0.000 1.044 258 V CA 2.025 64.333 62.300 0.013 0.000 1.036 258 V CB -1.051 30.776 31.823 0.006 0.000 0.664 258 V HN 0.164 nan 8.190 nan 0.000 0.453 259 V N 0.130 120.044 119.914 -0.000 0.000 2.323 259 V HA -0.065 4.055 4.120 0.000 0.000 0.244 259 V C 1.749 177.864 176.094 0.036 0.000 1.041 259 V CA 1.861 64.165 62.300 0.007 0.000 1.025 259 V CB -0.614 31.200 31.823 -0.015 0.000 0.656 259 V HN 0.658 nan 8.190 nan 0.000 0.451 260 Q N 0.225 120.063 119.800 0.064 0.000 2.788 260 Q HA 0.286 4.626 4.340 0.000 0.000 0.261 260 Q C -2.563 173.563 176.000 0.210 0.000 1.029 260 Q CA -1.753 54.141 55.803 0.151 0.000 0.848 260 Q CB 1.591 30.480 28.738 0.251 0.000 1.185 260 Q HN 0.401 nan 8.270 nan 0.000 0.482 261 P HA 0.258 nan 4.420 nan 0.000 0.268 261 P C -0.127 177.226 177.300 0.088 0.000 1.205 261 P CA 0.178 63.342 63.100 0.106 0.000 0.771 261 P CB 1.056 32.781 31.700 0.042 0.000 0.858 262 G N 2.243 111.084 108.800 0.069 0.000 2.340 262 G HA2 0.274 4.235 3.960 0.000 0.000 0.298 262 G HA3 0.274 4.235 3.960 0.000 0.000 0.298 262 G C -2.786 172.073 174.900 -0.068 0.000 1.498 262 G CA -0.803 44.283 45.100 -0.023 0.000 0.847 262 G HN 0.096 nan 8.290 nan 0.000 0.594 263 P HA -0.064 nan 4.420 nan 0.000 0.216 263 P C 1.447 178.567 177.300 -0.300 0.000 1.153 263 P CA 0.972 63.810 63.100 -0.436 0.000 0.848 263 P CB 0.079 31.104 31.700 -1.126 0.000 0.787 264 Y N -0.605 119.487 120.300 -0.347 0.000 2.097 264 Y HA -0.276 4.275 4.550 0.001 0.000 0.282 264 Y C 2.146 178.002 175.900 -0.073 0.000 1.152 264 Y CA 1.742 59.678 58.100 -0.272 0.000 1.136 264 Y CB -1.006 37.240 38.460 -0.357 0.000 0.975 264 Y HN -0.130 nan 8.280 nan 0.000 0.498 265 Y N -1.265 119.003 120.300 -0.054 0.000 2.314 265 Y HA -0.167 4.383 4.550 0.000 0.000 0.293 265 Y C 2.280 178.133 175.900 -0.079 0.000 1.129 265 Y CA 0.921 58.971 58.100 -0.083 0.000 1.201 265 Y CB -1.307 37.183 38.460 0.050 0.000 0.999 265 Y HN 0.314 nan 8.280 nan 0.000 0.541 266 F N -0.622 119.338 119.950 0.017 0.000 2.084 266 F HA -0.249 4.278 4.527 0.000 0.000 0.296 266 F C 1.939 177.711 175.800 -0.046 0.000 1.111 266 F CA 1.398 59.384 58.000 -0.023 0.000 1.224 266 F CB -0.923 38.083 39.000 0.010 0.000 0.991 266 F HN -0.038 nan 8.300 nan 0.000 0.471 267 Y N 0.638 120.683 120.300 -0.425 0.000 2.181 267 Y HA -0.141 4.409 4.550 0.001 0.000 0.288 267 Y C 2.831 178.457 175.900 -0.457 0.000 1.146 267 Y CA 1.745 59.544 58.100 -0.503 0.000 1.164 267 Y CB -1.075 37.220 38.460 -0.275 0.000 0.982 267 Y HN 0.075 nan 8.280 nan 0.000 0.515 268 R N 0.094 120.435 120.500 -0.266 0.000 2.081 268 R HA -0.143 4.197 4.340 0.000 0.000 0.235 268 R C 2.287 178.419 176.300 -0.280 0.000 1.131 268 R CA 1.286 57.229 56.100 -0.261 0.000 0.960 268 R CB -0.351 29.734 30.300 -0.358 0.000 0.856 268 R HN 0.283 nan 8.270 nan 0.000 0.436 269 A N 0.517 123.165 122.820 -0.286 0.000 1.929 269 A HA -0.003 4.317 4.320 0.000 0.000 0.216 269 A C 2.291 179.643 177.584 -0.385 0.000 1.176 269 A CA 1.351 53.215 52.037 -0.288 0.000 0.628 269 A CB -0.544 18.331 19.000 -0.209 0.000 0.816 269 A HN 0.520 nan 8.150 nan 0.000 0.444 270 A N -0.398 122.027 122.820 -0.658 0.000 1.877 270 A HA -0.008 4.313 4.320 0.000 0.000 0.216 270 A C 2.220 179.538 177.584 -0.444 0.000 1.186 270 A CA 1.773 53.192 52.037 -1.030 0.000 0.620 270 A CB -0.963 16.967 19.000 -1.784 0.000 0.822 270 A HN 0.357 nan 8.150 nan 0.000 0.443 271 V N 0.252 119.972 119.914 -0.324 0.000 2.287 271 V HA -0.256 3.864 4.120 0.000 0.000 0.248 271 V C 2.761 178.801 176.094 -0.090 0.000 1.053 271 V CA 2.126 64.353 62.300 -0.122 0.000 1.027 271 V CB -0.794 31.015 31.823 -0.024 0.000 0.646 271 V HN 0.454 nan 8.190 nan 0.000 0.447 272 R N -0.548 119.832 120.500 -0.200 0.000 2.096 272 R HA -0.116 4.224 4.340 0.000 0.000 0.235 272 R C 2.142 178.381 176.300 -0.102 0.000 1.127 272 R CA 1.335 57.300 56.100 -0.227 0.000 0.968 272 R CB -1.113 28.980 30.300 -0.345 0.000 0.861 272 R HN 0.440 nan 8.270 nan 0.000 0.440 273 L N 0.302 121.492 121.223 -0.055 0.000 2.027 273 L HA -0.005 4.335 4.340 0.000 0.000 0.206 273 L C 2.135 179.081 176.870 0.127 0.000 1.074 273 L CA 2.232 57.101 54.840 0.048 0.000 0.745 273 L CB -1.183 40.953 42.059 0.129 0.000 0.898 273 L HN 0.208 nan 8.230 nan 0.000 0.433 274 G N -0.835 108.064 108.800 0.164 0.000 2.440 274 G HA2 -0.265 3.696 3.960 0.000 0.000 0.218 274 G HA3 -0.265 3.696 3.960 0.000 0.000 0.218 274 G C 1.701 176.655 174.900 0.091 0.000 1.154 274 G CA 1.378 46.552 45.100 0.123 0.000 0.767 274 G HN 0.468 nan 8.290 nan 0.000 0.552 275 V N 0.518 120.470 119.914 0.064 0.000 2.427 275 V HA 0.084 4.205 4.120 0.000 0.000 0.248 275 V C 2.897 179.080 176.094 0.149 0.000 1.051 275 V CA 2.227 64.587 62.300 0.099 0.000 1.048 275 V CB -0.721 31.143 31.823 0.069 0.000 0.666 275 V HN 0.431 nan 8.190 nan 0.000 0.456 276 A N 0.603 123.493 122.820 0.115 0.000 1.877 276 A HA 0.013 4.333 4.320 0.000 0.000 0.216 276 A C 2.553 180.284 177.584 0.246 0.000 1.186 276 A CA 2.491 54.620 52.037 0.152 0.000 0.620 276 A CB -1.264 17.793 19.000 0.095 0.000 0.822 276 A HN 1.069 nan 8.150 nan 0.000 0.443 277 A N -1.328 121.641 122.820 0.249 0.000 1.933 277 A HA -0.017 4.303 4.320 0.000 0.000 0.218 277 A C 2.036 179.855 177.584 0.391 0.000 1.175 277 A CA 1.630 53.884 52.037 0.361 0.000 0.628 277 A CB -0.686 18.450 19.000 0.226 0.000 0.814 277 A HN 0.680 nan 8.150 nan 0.000 0.444 278 F N 0.888 120.903 119.950 0.107 0.000 2.102 278 F HA -0.139 4.388 4.527 0.001 0.000 0.298 278 F C 2.221 178.031 175.800 0.018 0.000 1.105 278 F CA 1.919 59.928 58.000 0.014 0.000 1.239 278 F CB -0.498 38.425 39.000 -0.127 0.000 0.991 278 F HN 0.020 nan 8.300 nan 0.000 0.474 279 V N 0.305 120.161 119.914 -0.097 0.000 2.407 279 V HA -0.286 3.834 4.120 0.000 0.000 0.248 279 V C 2.248 178.325 176.094 -0.028 0.000 1.055 279 V CA 1.960 64.181 62.300 -0.132 0.000 1.049 279 V CB -1.145 30.714 31.823 0.059 0.000 0.662 279 V HN 0.473 nan 8.190 nan 0.000 0.455 280 F N 1.206 121.140 119.950 -0.028 0.000 2.075 280 F HA -0.197 4.330 4.527 0.000 0.000 0.297 280 F C 2.759 178.427 175.800 -0.219 0.000 1.113 280 F CA 1.941 59.824 58.000 -0.196 0.000 1.218 280 F CB -0.682 38.156 39.000 -0.270 0.000 0.984 280 F HN 0.098 nan 8.300 nan 0.000 0.472 281 S N -0.113 115.405 115.700 -0.304 0.000 2.370 281 S HA -0.202 4.268 4.470 0.000 0.000 0.226 281 S C 2.056 176.449 174.600 -0.345 0.000 1.033 281 S CA 1.569 59.589 58.200 -0.299 0.000 1.011 281 S CB -0.505 62.770 63.200 0.124 0.000 0.852 281 S HN 0.497 nan 8.310 nan 0.000 0.457 282 E N 1.030 121.010 120.200 -0.366 0.000 2.072 282 E HA -0.028 4.322 4.350 0.000 0.000 0.191 282 E C 2.379 178.844 176.600 -0.225 0.000 0.985 282 E CA 1.167 57.389 56.400 -0.296 0.000 0.801 282 E CB -0.689 28.777 29.700 -0.391 0.000 0.750 282 E HN 0.604 nan 8.360 nan 0.000 0.452 283 A N 1.381 124.045 122.820 -0.260 0.000 1.897 283 A HA -0.008 4.313 4.320 0.000 0.000 0.215 283 A C 2.415 179.818 177.584 -0.301 0.000 1.181 283 A CA 1.848 53.761 52.037 -0.207 0.000 0.620 283 A CB -0.562 18.362 19.000 -0.127 0.000 0.821 283 A HN 0.253 nan 8.150 nan 0.000 0.443 284 A N -0.323 122.156 122.820 -0.569 0.000 1.933 284 A HA -0.175 4.146 4.320 0.000 0.000 0.218 284 A C 2.194 179.582 177.584 -0.328 0.000 1.175 284 A CA 1.578 53.263 52.037 -0.587 0.000 0.628 284 A CB -0.500 17.843 19.000 -1.095 0.000 0.814 284 A HN 0.533 nan 8.150 nan 0.000 0.444 285 R N -0.934 119.408 120.500 -0.263 0.000 2.103 285 R HA -0.200 4.140 4.340 0.000 0.000 0.242 285 R C 2.448 178.689 176.300 -0.099 0.000 1.142 285 R CA 1.955 57.971 56.100 -0.141 0.000 0.960 285 R CB -0.225 30.018 30.300 -0.096 0.000 0.858 285 R HN 0.436 nan 8.270 nan 0.000 0.439 286 R N 0.305 120.746 120.500 -0.099 0.000 2.082 286 R HA -0.064 4.276 4.340 0.000 0.000 0.228 286 R C 0.453 176.718 176.300 -0.058 0.000 1.140 286 R CA 1.385 57.447 56.100 -0.063 0.000 0.920 286 R CB -0.237 30.030 30.300 -0.055 0.000 0.828 286 R HN 0.024 nan 8.270 nan 0.000 0.430 287 D N -0.400 119.957 120.400 -0.071 0.000 2.472 287 D HA 0.184 4.824 4.640 0.000 0.000 0.234 287 D C 0.161 176.416 176.300 -0.074 0.000 1.088 287 D CA -0.116 53.851 54.000 -0.056 0.000 0.882 287 D CB 0.627 41.406 40.800 -0.036 0.000 1.037 287 D HN -0.020 nan 8.370 nan 0.000 0.520 288 R N 1.599 122.058 120.500 -0.068 0.000 2.148 288 R HA 0.083 4.423 4.340 0.000 0.000 0.223 288 R C 1.901 178.173 176.300 -0.048 0.000 1.088 288 R CA 0.796 56.852 56.100 -0.073 0.000 0.985 288 R CB 0.454 30.718 30.300 -0.060 0.000 0.880 288 R HN 0.270 nan 8.270 nan 0.000 0.451 289 R N -0.397 120.084 120.500 -0.032 0.000 2.093 289 R HA 0.045 4.386 4.340 0.000 0.000 0.224 289 R C 2.126 178.420 176.300 -0.010 0.000 1.101 289 R CA 1.172 57.261 56.100 -0.017 0.000 0.979 289 R CB -0.103 30.190 30.300 -0.012 0.000 0.877 289 R HN 0.143 nan 8.270 nan 0.000 0.441 290 A N 0.366 123.178 122.820 -0.012 0.000 2.014 290 A HA -0.053 4.267 4.320 0.000 0.000 0.218 290 A C 2.017 179.606 177.584 0.008 0.000 1.163 290 A CA 1.266 53.304 52.037 0.001 0.000 0.652 290 A CB -0.032 18.968 19.000 0.001 0.000 0.808 290 A HN 0.171 nan 8.150 nan 0.000 0.449 291 S N -0.320 115.370 115.700 -0.017 0.000 2.458 291 S HA 0.214 4.684 4.470 0.000 0.000 0.223 291 S C 2.225 176.847 174.600 0.036 0.000 1.019 291 S CA 0.581 58.776 58.200 -0.009 0.000 0.937 291 S CB -0.207 62.909 63.200 -0.140 0.000 0.788 291 S HN 0.757 nan 8.310 nan 0.000 0.511 292 A N 2.793 125.618 122.820 0.008 0.000 1.940 292 A HA -0.141 4.179 4.320 0.000 0.000 0.221 292 A C -0.176 177.426 177.584 0.030 0.000 1.190 292 A CA 1.861 53.907 52.037 0.015 0.000 0.647 292 A CB -1.954 17.047 19.000 0.003 0.000 0.821 292 A HN 0.417 nan 8.150 nan 0.000 0.457 293 P HA 0.045 nan 4.420 nan 0.000 0.226 293 P C 1.106 178.431 177.300 0.041 0.000 1.153 293 P CA 1.439 64.562 63.100 0.038 0.000 0.777 293 P CB 0.001 31.724 31.700 0.039 0.000 0.794 294 A N -1.224 121.629 122.820 0.055 0.000 2.275 294 A HA 0.085 4.406 4.320 0.000 0.000 0.212 294 A C 1.794 179.278 177.584 -0.168 0.000 1.201 294 A CA 0.103 52.161 52.037 0.035 0.000 0.843 294 A CB -1.059 18.034 19.000 0.155 0.000 0.873 294 A HN 0.110 nan 8.150 nan 0.000 0.492 295 L N -0.516 120.641 121.223 -0.110 0.000 2.056 295 L HA -0.066 4.274 4.340 0.000 0.000 0.207 295 L C 2.087 178.859 176.870 -0.164 0.000 1.078 295 L CA 1.846 56.552 54.840 -0.224 0.000 0.749 295 L CB -0.657 41.379 42.059 -0.039 0.000 0.901 295 L HN 0.333 nan 8.230 nan 0.000 0.433 296 L N 0.123 121.328 121.223 -0.031 0.000 2.013 296 L HA -0.262 4.078 4.340 0.000 0.000 0.212 296 L C 2.770 179.617 176.870 -0.038 0.000 1.073 296 L CA 2.292 57.142 54.840 0.017 0.000 0.753 296 L CB -0.797 41.293 42.059 0.051 0.000 0.890 296 L HN 0.411 nan 8.230 nan 0.000 0.432 297 R N -1.114 119.349 120.500 -0.062 0.000 2.083 297 R HA -0.150 4.190 4.340 0.000 0.000 0.237 297 R C 2.064 178.341 176.300 -0.038 0.000 1.137 297 R CA 2.131 58.209 56.100 -0.036 0.000 0.951 297 R CB -0.359 29.941 30.300 -0.000 0.000 0.851 297 R HN 0.381 nan 8.270 nan 0.000 0.434 298 V N 0.871 120.684 119.914 -0.168 0.000 2.307 298 V HA -0.203 3.917 4.120 0.000 0.000 0.245 298 V C 2.284 178.405 176.094 0.045 0.000 1.045 298 V CA 2.129 64.338 62.300 -0.152 0.000 1.024 298 V CB -0.612 30.837 31.823 -0.623 0.000 0.651 298 V HN 0.400 nan 8.190 nan 0.000 0.449 299 E N 1.500 121.747 120.200 0.078 0.000 2.031 299 E HA -0.203 4.147 4.350 0.000 0.000 0.193 299 E C 2.361 179.045 176.600 0.141 0.000 0.994 299 E CA 2.040 58.559 56.400 0.198 0.000 0.800 299 E CB -0.468 29.372 29.700 0.233 0.000 0.752 299 E HN 0.713 nan 8.360 nan 0.000 0.447 300 S N 0.093 115.850 115.700 0.094 0.000 2.368 300 S HA -0.155 4.315 4.470 0.000 0.000 0.225 300 S C 1.629 176.364 174.600 0.224 0.000 1.030 300 S CA 1.306 59.617 58.200 0.185 0.000 0.999 300 S CB -0.458 62.810 63.200 0.114 0.000 0.844 300 S HN 0.212 nan 8.310 nan 0.000 0.459 301 D N 2.370 122.845 120.400 0.126 0.000 2.144 301 D HA 0.128 4.768 4.640 0.000 0.000 0.200 301 D C 2.263 178.594 176.300 0.053 0.000 0.978 301 D CA 1.279 55.325 54.000 0.077 0.000 0.833 301 D CB -0.668 40.182 40.800 0.083 0.000 0.961 301 D HN 0.539 nan 8.370 nan 0.000 0.470 302 A N 1.063 123.948 122.820 0.109 0.000 1.902 302 A HA -0.197 4.123 4.320 0.000 0.000 0.217 302 A C 2.190 179.864 177.584 0.151 0.000 1.181 302 A CA 1.267 53.391 52.037 0.145 0.000 0.623 302 A CB -0.399 18.717 19.000 0.193 0.000 0.818 302 A HN 0.119 nan 8.150 nan 0.000 0.443 303 R N -1.199 119.412 120.500 0.185 0.000 2.073 303 R HA -0.089 4.251 4.340 0.000 0.000 0.234 303 R C 2.188 178.619 176.300 0.218 0.000 1.134 303 R CA 1.454 57.663 56.100 0.183 0.000 0.952 303 R CB -0.555 29.847 30.300 0.170 0.000 0.850 303 R HN 0.520 nan 8.270 nan 0.000 0.433 304 L N 1.014 122.427 121.223 0.316 0.000 2.005 304 L HA -0.117 4.223 4.340 0.000 0.000 0.207 304 L C 1.946 178.850 176.870 0.055 0.000 1.072 304 L CA 1.698 56.694 54.840 0.259 0.000 0.744 304 L CB -0.397 41.710 42.059 0.079 0.000 0.895 304 L HN 0.107 nan 8.230 nan 0.000 0.433 305 L N -0.459 120.739 121.223 -0.042 0.000 2.056 305 L HA -0.161 4.179 4.340 0.000 0.000 0.207 305 L C 2.764 179.588 176.870 -0.076 0.000 1.078 305 L CA 1.409 56.182 54.840 -0.112 0.000 0.749 305 L CB -0.992 40.937 42.059 -0.216 0.000 0.901 305 L HN 0.541 nan 8.230 nan 0.000 0.433 306 S N 0.041 115.671 115.700 -0.116 0.000 2.383 306 S HA -0.280 4.190 4.470 0.000 0.000 0.229 306 S C 2.122 176.643 174.600 -0.131 0.000 1.030 306 S CA 1.247 59.297 58.200 -0.249 0.000 1.002 306 S CB -0.491 62.176 63.200 -0.888 0.000 0.829 306 S HN 0.372 nan 8.310 nan 0.000 0.467 307 R N 1.066 121.535 120.500 -0.053 0.000 2.073 307 R HA 0.005 4.346 4.340 0.000 0.000 0.234 307 R C 2.410 178.727 176.300 0.028 0.000 1.134 307 R CA 1.728 57.835 56.100 0.013 0.000 0.952 307 R CB -0.518 29.830 30.300 0.080 0.000 0.850 307 R HN 0.507 nan 8.270 nan 0.000 0.433 308 L N 0.646 121.885 121.223 0.027 0.000 2.093 308 L HA -0.177 4.163 4.340 0.000 0.000 0.208 308 L C 2.528 179.418 176.870 0.032 0.000 1.085 308 L CA 1.018 55.872 54.840 0.024 0.000 0.755 308 L CB -0.434 41.626 42.059 0.002 0.000 0.904 308 L HN 0.290 nan 8.230 nan 0.000 0.435 309 L N -1.004 120.245 121.223 0.045 0.000 2.027 309 L HA -0.206 4.134 4.340 0.000 0.000 0.206 309 L C 2.766 179.751 176.870 0.191 0.000 1.074 309 L CA 0.984 55.906 54.840 0.137 0.000 0.745 309 L CB -0.335 41.784 42.059 0.100 0.000 0.898 309 L HN 0.297 nan 8.230 nan 0.000 0.433 310 M N -0.932 118.749 119.600 0.135 0.000 2.175 310 M HA -0.136 4.344 4.480 0.000 0.000 0.264 310 M C 2.347 178.640 176.300 -0.012 0.000 1.063 310 M CA 1.470 56.821 55.300 0.086 0.000 1.119 310 M CB -1.141 31.506 32.600 0.079 0.000 1.377 310 M HN 0.180 nan 8.290 nan 0.000 0.415 311 R N 0.109 120.610 120.500 0.002 0.000 2.075 311 R HA 0.020 4.360 4.340 0.000 0.000 0.232 311 R C 2.183 178.461 176.300 -0.036 0.000 1.126 311 R CA 1.493 57.587 56.100 -0.011 0.000 0.963 311 R CB -0.880 29.428 30.300 0.012 0.000 0.858 311 R HN 0.403 nan 8.270 nan 0.000 0.435 312 A N 0.946 123.748 122.820 -0.029 0.000 2.024 312 A HA -0.093 4.227 4.320 0.000 0.000 0.220 312 A C 2.097 179.594 177.584 -0.145 0.000 1.164 312 A CA 1.779 53.790 52.037 -0.043 0.000 0.643 312 A CB -0.332 18.674 19.000 0.011 0.000 0.806 312 A HN 0.354 nan 8.150 nan 0.000 0.451 313 A N -1.989 120.654 122.820 -0.294 0.000 2.251 313 A HA 0.427 4.748 4.320 0.000 0.000 0.209 313 A C 1.680 179.114 177.584 -0.249 0.000 1.187 313 A CA 1.117 52.850 52.037 -0.507 0.000 0.823 313 A CB -0.803 17.522 19.000 -1.125 0.000 0.846 313 A HN 1.886 nan 8.150 nan 0.000 0.486 314 G N -1.945 106.775 108.800 -0.134 0.000 2.132 314 G HA2 -0.226 3.734 3.960 0.000 0.000 0.228 314 G HA3 -0.226 3.734 3.960 0.000 0.000 0.228 314 G C 0.044 174.920 174.900 -0.041 0.000 1.000 314 G CA 0.023 45.083 45.100 -0.067 0.000 0.693 314 G HN 0.593 nan 8.290 nan 0.000 0.515 315 c N 0.675 119.253 118.600 -0.038 0.000 2.391 315 c HA 0.645 5.215 4.570 0.000 0.000 0.339 315 c C 0.061 174.156 174.090 0.008 0.000 1.205 315 c CA -0.750 55.577 56.329 -0.004 0.000 1.937 315 c CB 1.760 44.279 42.510 0.014 0.000 2.341 315 c HN 0.320 nan 8.230 nan 0.000 0.516 316 P HA 0.027 nan 4.420 nan 0.000 0.221 316 P C -0.034 177.279 177.300 0.022 0.000 1.150 316 P CA 1.202 64.313 63.100 0.018 0.000 0.800 316 P CB 0.374 32.085 31.700 0.018 0.000 0.787 317 A N -0.710 122.125 122.820 0.026 0.000 2.515 317 A HA 0.657 4.978 4.320 0.000 0.000 0.298 317 A C 0.251 177.846 177.584 0.019 0.000 1.059 317 A CA -0.254 51.797 52.037 0.025 0.000 0.698 317 A CB 1.373 20.390 19.000 0.028 0.000 1.289 317 A HN 0.150 nan 8.150 nan 0.000 0.404 318 G N -0.251 108.546 108.800 -0.005 0.000 2.574 318 G HA2 0.552 4.513 3.960 0.000 0.000 0.248 318 G HA3 0.552 4.513 3.960 0.000 0.000 0.248 318 G C -0.289 174.603 174.900 -0.013 0.000 1.422 318 G CA -0.911 44.135 45.100 -0.091 0.000 1.051 318 G HN 0.585 nan 8.290 nan 0.000 0.560 319 F N 0.654 120.596 119.950 -0.013 0.000 2.538 319 F HA 0.320 4.847 4.527 0.000 0.000 0.371 319 F C 1.737 177.513 175.800 -0.040 0.000 1.087 319 F CA -0.387 57.576 58.000 -0.061 0.000 1.250 319 F CB 1.229 40.157 39.000 -0.121 0.000 1.110 319 F HN 0.432 nan 8.300 nan 0.000 0.570 320 A N 3.443 126.352 122.820 0.148 0.000 1.930 320 A HA 0.304 4.625 4.320 0.000 0.000 0.217 320 A C 1.144 178.767 177.584 0.064 0.000 1.175 320 A CA 1.368 53.445 52.037 0.066 0.000 0.627 320 A CB -0.542 18.481 19.000 0.039 0.000 0.815 320 A HN 0.923 nan 8.150 nan 0.000 0.443 321 G N -2.904 105.931 108.800 0.057 0.000 2.667 321 G HA2 0.472 4.432 3.960 0.000 0.000 0.294 321 G HA3 0.472 4.432 3.960 0.000 0.000 0.294 321 G C -0.344 174.508 174.900 -0.079 0.000 1.467 321 G CA 0.082 45.205 45.100 0.038 0.000 0.852 321 G HN 0.493 nan 8.290 nan 0.000 0.521 322 L N 0.292 121.445 121.223 -0.117 0.000 2.670 322 L HA 0.624 4.964 4.340 0.000 0.000 0.177 322 L C 0.553 177.208 176.870 -0.359 0.000 1.181 322 L CA 0.526 55.140 54.840 -0.377 0.000 0.856 322 L CB -0.275 41.474 42.059 -0.518 0.000 1.205 322 L HN 0.403 nan 8.230 nan 0.000 0.506 323 F N 2.808 122.769 119.950 0.018 0.000 2.652 323 F HA 0.213 4.741 4.527 0.001 0.000 0.352 323 F C 0.119 175.945 175.800 0.043 0.000 1.259 323 F CA -0.808 57.217 58.000 0.043 0.000 1.249 323 F CB -0.998 38.056 39.000 0.090 0.000 1.628 323 F HN 0.068 nan 8.300 nan 0.000 0.654 324 D N 1.673 122.138 120.400 0.109 0.000 2.383 324 D HA 0.228 4.868 4.640 0.000 0.000 0.252 324 D C 1.334 177.673 176.300 0.066 0.000 1.166 324 D CA 1.077 55.117 54.000 0.066 0.000 0.879 324 D CB 1.503 42.307 40.800 0.007 0.000 1.164 324 D HN 0.738 nan 8.370 nan 0.000 0.462 325 G N 3.606 112.437 108.800 0.051 0.000 2.377 325 G HA2 -0.436 3.524 3.960 0.000 0.000 0.250 325 G HA3 -0.436 3.524 3.960 0.000 0.000 0.250 325 G C 1.377 176.279 174.900 0.005 0.000 1.039 325 G CA 0.558 45.665 45.100 0.011 0.000 0.625 325 G HN 0.529 nan 8.290 nan 0.000 0.526 326 R N 0.735 121.269 120.500 0.056 0.000 2.070 326 R HA 0.224 4.564 4.340 0.000 0.000 0.233 326 R C 3.199 179.520 176.300 0.036 0.000 1.137 326 R CA 1.974 58.107 56.100 0.054 0.000 0.945 326 R CB -0.492 29.870 30.300 0.103 0.000 0.845 326 R HN 0.595 nan 8.270 nan 0.000 0.430 327 A N 0.868 123.748 122.820 0.100 0.000 1.933 327 A HA -0.192 4.128 4.320 0.000 0.000 0.218 327 A C 1.950 179.485 177.584 -0.080 0.000 1.175 327 A CA 1.359 53.486 52.037 0.149 0.000 0.628 327 A CB -0.342 18.894 19.000 0.394 0.000 0.814 327 A HN 0.366 nan 8.150 nan 0.000 0.444 328 E N -0.664 119.287 120.200 -0.414 0.000 2.274 328 E HA -0.090 4.260 4.350 0.000 0.000 0.194 328 E C 2.104 178.475 176.600 -0.381 0.000 0.996 328 E CA 0.416 56.315 56.400 -0.834 0.000 0.840 328 E CB 0.013 29.227 29.700 -0.810 0.000 0.772 328 E HN 0.565 nan 8.360 nan 0.000 0.491 329 R N -0.170 120.212 120.500 -0.198 0.000 2.161 329 R HA 0.062 4.402 4.340 0.000 0.000 0.213 329 R C 0.422 176.678 176.300 -0.074 0.000 1.055 329 R CA 0.068 56.100 56.100 -0.113 0.000 0.996 329 R CB 0.376 30.634 30.300 -0.070 0.000 0.901 329 R HN -0.026 nan 8.270 nan 0.000 0.456 330 V N 3.734 123.614 119.914 -0.056 0.000 2.655 330 V HA 0.062 4.183 4.120 0.000 0.000 0.300 330 V C -1.909 174.178 176.094 -0.011 0.000 1.044 330 V CA -1.380 60.910 62.300 -0.017 0.000 1.095 330 V CB 0.481 32.312 31.823 0.013 0.000 0.952 330 V HN 0.082 nan 8.190 nan 0.000 0.485 331 P HA 0.100 nan 4.420 nan 0.000 0.266 331 P C -0.687 176.628 177.300 0.024 0.000 1.193 331 P CA 0.013 63.117 63.100 0.006 0.000 0.770 331 P CB 0.324 32.028 31.700 0.006 0.000 0.836 332 V N 2.470 122.403 119.914 0.031 0.000 2.370 332 V HA 0.498 4.618 4.120 0.000 0.000 0.283 332 V C 0.552 176.666 176.094 0.034 0.000 1.023 332 V CA -0.828 61.500 62.300 0.047 0.000 0.857 332 V CB 0.969 32.833 31.823 0.068 0.000 0.985 332 V HN 0.715 nan 8.190 nan 0.000 0.443 333 A N 6.760 129.599 122.820 0.031 0.000 2.407 333 A HA 0.529 4.849 4.320 0.000 0.000 0.248 333 A C -1.180 176.419 177.584 0.025 0.000 1.082 333 A CA -1.050 51.003 52.037 0.026 0.000 0.785 333 A CB 0.076 19.091 19.000 0.025 0.000 1.020 333 A HN 0.703 nan 8.150 nan 0.000 0.489 334 P HA -0.239 nan 4.420 nan 0.000 0.216 334 P C 1.457 178.773 177.300 0.027 0.000 1.154 334 P CA 2.472 65.588 63.100 0.026 0.000 0.865 334 P CB 0.101 31.816 31.700 0.025 0.000 0.789 335 A N -0.958 121.878 122.820 0.026 0.000 2.172 335 A HA -0.143 4.177 4.320 0.000 0.000 0.216 335 A C 1.446 179.043 177.584 0.021 0.000 1.154 335 A CA 1.585 53.639 52.037 0.028 0.000 0.701 335 A CB -0.816 18.200 19.000 0.027 0.000 0.789 335 A HN 0.112 nan 8.150 nan 0.000 0.465 336 D N -1.353 119.053 120.400 0.009 0.000 2.431 336 D HA 0.069 4.709 4.640 0.000 0.000 0.213 336 D C 1.634 177.916 176.300 -0.031 0.000 1.130 336 D CA 0.047 54.034 54.000 -0.021 0.000 0.834 336 D CB 0.060 40.854 40.800 -0.010 0.000 0.985 336 D HN 0.524 nan 8.370 nan 0.000 0.504 337 Q N 0.348 120.149 119.800 0.002 0.000 2.061 337 Q HA -0.086 4.254 4.340 0.000 0.000 0.204 337 Q C 2.129 178.132 176.000 0.005 0.000 0.984 337 Q CA 1.030 56.844 55.803 0.018 0.000 0.846 337 Q CB 0.113 28.870 28.738 0.032 0.000 0.902 337 Q HN 0.317 nan 8.270 nan 0.000 0.421 338 L N 0.023 121.247 121.223 0.002 0.000 2.056 338 L HA -0.172 4.168 4.340 0.000 0.000 0.207 338 L C 2.692 179.472 176.870 -0.150 0.000 1.078 338 L CA 1.090 55.945 54.840 0.025 0.000 0.749 338 L CB -0.459 41.678 42.059 0.130 0.000 0.901 338 L HN 0.194 nan 8.230 nan 0.000 0.433 339 R N 0.526 120.728 120.500 -0.497 0.000 2.083 339 R HA -0.217 4.123 4.340 0.000 0.000 0.237 339 R C 2.324 178.359 176.300 -0.441 0.000 1.137 339 R CA 1.688 57.128 56.100 -1.100 0.000 0.951 339 R CB -0.292 29.481 30.300 -0.878 0.000 0.851 339 R HN 0.342 nan 8.270 nan 0.000 0.434 340 A N 0.735 123.437 122.820 -0.197 0.000 1.902 340 A HA -0.115 4.205 4.320 0.000 0.000 0.217 340 A C 2.399 179.992 177.584 0.016 0.000 1.181 340 A CA 1.748 53.752 52.037 -0.055 0.000 0.623 340 A CB -0.865 18.221 19.000 0.144 0.000 0.818 340 A HN 0.572 nan 8.150 nan 0.000 0.443 341 A N -1.651 121.201 122.820 0.053 0.000 1.940 341 A HA -0.199 4.121 4.320 0.000 0.000 0.219 341 A C 1.997 179.639 177.584 0.097 0.000 1.176 341 A CA 1.645 53.737 52.037 0.093 0.000 0.631 341 A CB -0.870 18.186 19.000 0.092 0.000 0.814 341 A HN 0.883 nan 8.150 nan 0.000 0.446 342 W N 0.920 122.173 121.300 -0.080 0.000 2.407 342 W HA -0.116 4.544 4.660 0.000 0.000 0.305 342 W C 2.232 178.689 176.519 -0.103 0.000 1.196 342 W CA 2.297 59.632 57.345 -0.018 0.000 1.311 342 W CB -0.407 29.142 29.460 0.148 0.000 1.135 342 W HN 0.259 nan 8.180 nan 0.000 0.514 343 T N 0.672 115.154 114.554 -0.119 0.000 2.746 343 T HA -0.188 4.162 4.350 0.000 0.000 0.267 343 T C 1.060 175.365 174.700 -0.659 0.000 1.039 343 T CA 1.621 63.410 62.100 -0.518 0.000 1.142 343 T CB -0.513 67.906 68.868 -0.748 0.000 0.866 343 T HN 0.029 nan 8.240 nan 0.000 0.444 344 F N 0.322 120.230 119.950 -0.071 0.000 2.678 344 F HA 0.461 4.988 4.527 0.001 0.000 0.305 344 F C 1.693 177.443 175.800 -0.084 0.000 1.090 344 F CA -0.925 57.035 58.000 -0.068 0.000 1.272 344 F CB -0.532 38.452 39.000 -0.027 0.000 1.060 344 F HN 0.204 nan 8.300 nan 0.000 0.576 345 G N 1.533 110.318 108.800 -0.025 0.000 2.338 345 G HA2 -0.307 3.653 3.960 0.000 0.000 0.296 345 G HA3 -0.307 3.653 3.960 0.000 0.000 0.296 345 G C 0.074 174.990 174.900 0.027 0.000 1.040 345 G CA -0.020 45.057 45.100 -0.039 0.000 1.004 345 G HN 0.433 nan 8.290 nan 0.000 0.509 346 E N -0.094 120.145 120.200 0.066 0.000 2.408 346 E HA 0.242 4.593 4.350 0.000 0.000 0.259 346 E C 0.471 177.096 176.600 0.042 0.000 1.110 346 E CA -0.384 56.057 56.400 0.068 0.000 0.929 346 E CB 0.596 30.352 29.700 0.093 0.000 0.971 346 E HN 0.326 nan 8.360 nan 0.000 0.438 347 D N 2.382 122.802 120.400 0.033 0.000 2.570 347 D HA -0.050 4.590 4.640 0.000 0.000 0.243 347 D C -1.754 174.565 176.300 0.031 0.000 1.171 347 D CA -1.130 52.885 54.000 0.025 0.000 0.879 347 D CB 0.748 41.559 40.800 0.019 0.000 1.143 347 D HN 0.089 nan 8.370 nan 0.000 0.511 348 P HA -0.010 nan 4.420 nan 0.000 0.223 348 P C 1.027 178.345 177.300 0.029 0.000 1.151 348 P CA 0.961 64.082 63.100 0.034 0.000 0.787 348 P CB 0.116 31.835 31.700 0.031 0.000 0.788 349 A N 1.553 124.386 122.820 0.023 0.000 1.892 349 A HA -0.160 4.160 4.320 0.000 0.000 0.218 349 A C 0.037 177.634 177.584 0.021 0.000 1.188 349 A CA 2.130 54.179 52.037 0.019 0.000 0.631 349 A CB -2.368 16.641 19.000 0.015 0.000 0.822 349 A HN 0.258 nan 8.150 nan 0.000 0.447 350 P HA -0.079 nan 4.420 nan 0.000 0.226 350 P C 0.617 177.933 177.300 0.027 0.000 1.153 350 P CA 0.744 63.857 63.100 0.023 0.000 0.777 350 P CB -0.011 31.703 31.700 0.022 0.000 0.794 351 R N -0.919 119.601 120.500 0.032 0.000 2.432 351 R HA 0.299 4.639 4.340 0.000 0.000 0.260 351 R C 2.004 178.325 176.300 0.035 0.000 0.935 351 R CA -0.243 55.879 56.100 0.038 0.000 1.080 351 R CB -0.473 29.856 30.300 0.048 0.000 1.155 351 R HN 0.289 nan 8.270 nan 0.000 0.531 352 L N 0.773 122.013 121.223 0.029 0.000 2.027 352 L HA -0.173 4.167 4.340 0.000 0.000 0.206 352 L C 1.500 178.383 176.870 0.022 0.000 1.074 352 L CA 1.511 56.366 54.840 0.024 0.000 0.745 352 L CB -0.204 41.867 42.059 0.019 0.000 0.898 352 L HN 0.047 nan 8.230 nan 0.000 0.433 353 D N -0.154 120.259 120.400 0.021 0.000 2.123 353 D HA -0.209 4.432 4.640 0.000 0.000 0.196 353 D C 1.972 178.286 176.300 0.023 0.000 0.992 353 D CA 1.047 55.059 54.000 0.020 0.000 0.833 353 D CB -0.224 40.587 40.800 0.019 0.000 0.954 353 D HN 0.110 nan 8.370 nan 0.000 0.455 354 L N 0.915 122.155 121.223 0.028 0.000 1.990 354 L HA -0.176 4.164 4.340 0.000 0.000 0.213 354 L C 2.103 178.995 176.870 0.036 0.000 1.072 354 L CA 2.222 57.082 54.840 0.034 0.000 0.755 354 L CB -0.881 41.201 42.059 0.038 0.000 0.889 354 L HN 0.005 nan 8.230 nan 0.000 0.432 355 A N -0.591 122.251 122.820 0.036 0.000 1.877 355 A HA -0.220 4.100 4.320 0.000 0.000 0.216 355 A C 2.455 180.051 177.584 0.019 0.000 1.186 355 A CA 1.850 53.907 52.037 0.034 0.000 0.620 355 A CB -0.603 18.417 19.000 0.033 0.000 0.822 355 A HN 0.515 nan 8.150 nan 0.000 0.443 356 R N -0.749 119.761 120.500 0.015 0.000 2.073 356 R HA -0.121 4.220 4.340 0.000 0.000 0.234 356 R C 2.499 178.806 176.300 0.012 0.000 1.134 356 R CA 1.310 57.414 56.100 0.008 0.000 0.952 356 R CB -0.452 29.853 30.300 0.008 0.000 0.850 356 R HN 0.528 nan 8.270 nan 0.000 0.433 357 A N 0.218 123.050 122.820 0.020 0.000 1.930 357 A HA -0.132 4.189 4.320 0.000 0.000 0.217 357 A C 2.160 179.760 177.584 0.026 0.000 1.175 357 A CA 1.838 53.889 52.037 0.024 0.000 0.627 357 A CB -0.702 18.314 19.000 0.026 0.000 0.815 357 A HN 0.289 nan 8.150 nan 0.000 0.443 358 T N -0.156 114.416 114.554 0.029 0.000 2.684 358 T HA -0.147 4.203 4.350 0.000 0.000 0.267 358 T C 1.894 176.601 174.700 0.011 0.000 1.036 358 T CA 1.767 63.888 62.100 0.033 0.000 1.148 358 T CB -0.512 68.385 68.868 0.049 0.000 0.863 358 T HN 0.165 nan 8.240 nan 0.000 0.436 359 V N 1.692 121.604 119.914 -0.003 0.000 2.295 359 V HA -0.159 3.962 4.120 0.000 0.000 0.246 359 V C 2.906 178.995 176.094 -0.007 0.000 1.049 359 V CA 1.697 63.978 62.300 -0.031 0.000 1.024 359 V CB -1.278 30.521 31.823 -0.040 0.000 0.648 359 V HN 0.540 nan 8.190 nan 0.000 0.447 360 A N -0.005 122.826 122.820 0.018 0.000 1.877 360 A HA -0.270 4.050 4.320 0.000 0.000 0.216 360 A C 2.214 179.840 177.584 0.070 0.000 1.186 360 A CA 2.232 54.302 52.037 0.055 0.000 0.620 360 A CB -0.491 18.533 19.000 0.041 0.000 0.822 360 A HN 0.570 nan 8.150 nan 0.000 0.443 361 E N -0.034 120.188 120.200 0.037 0.000 2.072 361 E HA 0.058 4.408 4.350 0.000 0.000 0.190 361 E C 2.023 178.630 176.600 0.011 0.000 0.982 361 E CA 1.373 57.790 56.400 0.028 0.000 0.803 361 E CB -0.482 29.238 29.700 0.034 0.000 0.755 361 E HN 0.429 nan 8.360 nan 0.000 0.453 362 A N 0.082 122.889 122.820 -0.023 0.000 1.892 362 A HA -0.244 4.076 4.320 0.000 0.000 0.218 362 A C 2.269 179.712 177.584 -0.236 0.000 1.188 362 A CA 1.888 53.829 52.037 -0.161 0.000 0.631 362 A CB -1.199 17.603 19.000 -0.331 0.000 0.822 362 A HN 0.564 nan 8.150 nan 0.000 0.447 363 Y N 0.446 120.605 120.300 -0.234 0.000 2.163 363 Y HA -0.162 4.388 4.550 0.000 0.000 0.288 363 Y C 2.495 178.350 175.900 -0.076 0.000 1.136 363 Y CA 1.921 59.917 58.100 -0.173 0.000 1.147 363 Y CB -0.367 38.020 38.460 -0.122 0.000 0.987 363 Y HN 0.255 nan 8.280 nan 0.000 0.509 364 R N -0.082 120.302 120.500 -0.193 0.000 2.091 364 R HA -0.167 4.174 4.340 0.000 0.000 0.238 364 R C 2.395 178.591 176.300 -0.173 0.000 1.136 364 R CA 1.783 57.752 56.100 -0.218 0.000 0.959 364 R CB -0.285 29.979 30.300 -0.059 0.000 0.856 364 R HN 0.379 nan 8.270 nan 0.000 0.437 365 R N -0.154 120.302 120.500 -0.074 0.000 2.070 365 R HA -0.093 4.248 4.340 0.000 0.000 0.233 365 R C 2.552 178.865 176.300 0.022 0.000 1.137 365 R CA 1.570 57.675 56.100 0.009 0.000 0.945 365 R CB -0.521 29.844 30.300 0.108 0.000 0.845 365 R HN 0.110 nan 8.270 nan 0.000 0.430 366 S N 0.470 116.198 115.700 0.046 0.000 2.368 366 S HA -0.162 4.308 4.470 0.000 0.000 0.226 366 S C 1.977 176.557 174.600 -0.032 0.000 1.044 366 S CA 1.631 59.895 58.200 0.107 0.000 1.062 366 S CB -0.317 62.918 63.200 0.059 0.000 0.931 366 S HN 0.226 nan 8.310 nan 0.000 0.440 367 V N 1.209 120.991 119.914 -0.220 0.000 2.759 367 V HA 0.057 4.177 4.120 0.000 0.000 0.256 367 V C 2.066 178.086 176.094 -0.125 0.000 1.080 367 V CA 1.648 63.815 62.300 -0.221 0.000 1.101 367 V CB -0.533 31.019 31.823 -0.452 0.000 0.698 367 V HN 0.423 nan 8.190 nan 0.000 0.477 368 R N -0.397 120.043 120.500 -0.100 0.000 2.359 368 R HA 0.287 4.628 4.340 0.000 0.000 0.231 368 R C 1.434 177.719 176.300 -0.025 0.000 0.913 368 R CA 0.637 56.701 56.100 -0.059 0.000 1.075 368 R CB 0.317 30.582 30.300 -0.057 0.000 1.087 368 R HN 0.536 nan 8.270 nan 0.000 0.515 369 G N 1.613 110.408 108.800 -0.007 0.000 2.143 369 G HA2 -0.321 3.639 3.960 0.000 0.000 0.248 369 G HA3 -0.321 3.639 3.960 0.000 0.000 0.248 369 G C -0.275 174.634 174.900 0.014 0.000 0.991 369 G CA 0.045 45.151 45.100 0.010 0.000 0.689 369 G HN 0.260 nan 8.290 nan 0.000 0.522 370 K N 1.245 121.663 120.400 0.029 0.000 2.130 370 K HA 0.520 4.840 4.320 0.000 0.000 0.268 370 K C -2.179 174.448 176.600 0.045 0.000 0.983 370 K CA -1.922 54.383 56.287 0.029 0.000 0.893 370 K CB 1.757 34.277 32.500 0.033 0.000 1.066 370 K HN 0.064 nan 8.250 nan 0.000 0.450 371 P HA 0.044 nan 4.420 nan 0.000 0.271 371 P C -1.022 176.250 177.300 -0.046 0.000 1.218 371 P CA -0.125 62.887 63.100 -0.146 0.000 0.780 371 P CB 0.287 31.893 31.700 -0.157 0.000 0.901 372 F N -1.308 118.642 119.950 0.001 0.000 2.611 372 F HA 0.514 5.041 4.527 0.000 0.000 0.324 372 F C -0.072 175.732 175.800 0.008 0.000 1.061 372 F CA -1.659 56.346 58.000 0.007 0.000 0.954 372 F CB 0.534 39.542 39.000 0.015 0.000 1.301 372 F HN 0.055 nan 8.300 nan 0.000 0.482 373 D N 2.374 122.920 120.400 0.242 0.000 2.416 373 D HA 0.008 4.648 4.640 0.000 0.000 0.240 373 D C 1.127 177.573 176.300 0.243 0.000 1.250 373 D CA 0.073 54.161 54.000 0.146 0.000 0.967 373 D CB 0.850 41.721 40.800 0.118 0.000 1.059 373 D HN 0.731 nan 8.370 nan 0.000 0.512 374 Q N 3.005 122.898 119.800 0.156 0.000 2.224 374 Q HA -0.201 4.139 4.340 0.000 0.000 0.203 374 Q C 1.108 177.169 176.000 0.102 0.000 0.970 374 Q CA 1.147 57.082 55.803 0.220 0.000 0.865 374 Q CB -0.145 28.651 28.738 0.096 0.000 0.922 374 Q HN 0.588 nan 8.270 nan 0.000 0.445 375 Q N 0.660 120.478 119.800 0.031 0.000 2.046 375 Q HA -0.008 4.332 4.340 0.000 0.000 0.200 375 Q C 2.269 178.352 176.000 0.138 0.000 0.975 375 Q CA 1.593 57.395 55.803 -0.000 0.000 0.836 375 Q CB -0.192 28.541 28.738 -0.009 0.000 0.896 375 Q HN 0.568 nan 8.270 nan 0.000 0.428 376 A N 0.978 123.906 122.820 0.181 0.000 1.902 376 A HA -0.189 4.132 4.320 0.000 0.000 0.217 376 A C 2.073 179.762 177.584 0.174 0.000 1.181 376 A CA 1.148 53.317 52.037 0.219 0.000 0.623 376 A CB -0.691 18.401 19.000 0.155 0.000 0.818 376 A HN 0.349 nan 8.150 nan 0.000 0.443 377 L N -1.290 120.017 121.223 0.140 0.000 2.013 377 L HA -0.181 4.159 4.340 0.000 0.000 0.212 377 L C 2.226 179.109 176.870 0.022 0.000 1.073 377 L CA 2.539 57.428 54.840 0.081 0.000 0.753 377 L CB -0.743 41.375 42.059 0.098 0.000 0.890 377 L HN 0.462 nan 8.230 nan 0.000 0.432 378 F N -0.495 119.363 119.950 -0.154 0.000 2.065 378 F HA -0.315 4.212 4.527 0.000 0.000 0.298 378 F C 2.000 177.607 175.800 -0.322 0.000 1.112 378 F CA 1.942 59.745 58.000 -0.328 0.000 1.212 378 F CB -0.507 38.136 39.000 -0.595 0.000 0.975 378 F HN 0.107 nan 8.300 nan 0.000 0.476 379 F N 0.516 120.441 119.950 -0.042 0.000 2.234 379 F HA -0.029 4.498 4.527 0.001 0.000 0.299 379 F C 2.549 178.299 175.800 -0.084 0.000 1.087 379 F CA 0.949 58.892 58.000 -0.095 0.000 1.340 379 F CB -1.580 37.440 39.000 0.032 0.000 1.031 379 F HN 0.094 nan 8.300 nan 0.000 0.500 380 A N 0.099 122.975 122.820 0.095 0.000 1.877 380 A HA -0.128 4.192 4.320 0.000 0.000 0.216 380 A C 2.410 179.976 177.584 -0.030 0.000 1.186 380 A CA 1.991 54.053 52.037 0.041 0.000 0.620 380 A CB -1.248 17.773 19.000 0.035 0.000 0.822 380 A HN 0.151 nan 8.150 nan 0.000 0.443 381 V N 0.042 119.891 119.914 -0.109 0.000 2.287 381 V HA -0.296 3.824 4.120 0.000 0.000 0.248 381 V C 3.076 179.071 176.094 -0.164 0.000 1.053 381 V CA 2.066 64.276 62.300 -0.149 0.000 1.027 381 V CB -1.389 30.316 31.823 -0.196 0.000 0.646 381 V HN 0.635 nan 8.190 nan 0.000 0.447 382 A N -0.409 122.255 122.820 -0.259 0.000 1.917 382 A HA -0.247 4.073 4.320 0.000 0.000 0.219 382 A C 2.199 179.795 177.584 0.019 0.000 1.182 382 A CA 2.351 54.306 52.037 -0.137 0.000 0.633 382 A CB -0.611 18.337 19.000 -0.087 0.000 0.819 382 A HN 0.451 nan 8.150 nan 0.000 0.448 383 L N -0.547 120.705 121.223 0.048 0.000 2.027 383 L HA -0.079 4.261 4.340 0.000 0.000 0.206 383 L C 2.421 179.305 176.870 0.023 0.000 1.074 383 L CA 1.591 56.467 54.840 0.059 0.000 0.745 383 L CB -0.366 41.737 42.059 0.072 0.000 0.898 383 L HN 0.415 nan 8.230 nan 0.000 0.433 384 L N -1.243 119.981 121.223 0.002 0.000 2.083 384 L HA -0.234 4.106 4.340 0.000 0.000 0.209 384 L C 2.309 179.172 176.870 -0.012 0.000 1.083 384 L CA 1.108 55.943 54.840 -0.007 0.000 0.752 384 L CB -0.490 41.558 42.059 -0.019 0.000 0.899 384 L HN 0.281 nan 8.230 nan 0.000 0.433 385 L N -0.343 120.867 121.223 -0.021 0.000 2.313 385 L HA -0.094 4.246 4.340 0.000 0.000 0.214 385 L C 2.721 179.589 176.870 -0.003 0.000 1.119 385 L CA 0.728 55.558 54.840 -0.018 0.000 0.809 385 L CB -0.444 41.597 42.059 -0.030 0.000 0.933 385 L HN 0.388 nan 8.230 nan 0.000 0.449 386 R N 0.895 121.399 120.500 0.006 0.000 2.140 386 R HA 0.156 4.496 4.340 0.000 0.000 0.213 386 R C 1.081 177.387 176.300 0.010 0.000 1.059 386 R CA 1.018 57.125 56.100 0.012 0.000 1.000 386 R CB 0.063 30.376 30.300 0.021 0.000 0.910 386 R HN 0.094 nan 8.270 nan 0.000 0.455 387 A N 0.961 123.787 122.820 0.011 0.000 2.758 387 A HA 0.387 4.707 4.320 0.000 0.000 0.223 387 A C 0.078 177.667 177.584 0.008 0.000 0.877 387 A CA -0.281 51.762 52.037 0.009 0.000 1.152 387 A CB 0.357 19.365 19.000 0.013 0.000 1.239 387 A HN 0.368 nan 8.150 nan 0.000 0.470 388 G N 0.163 108.965 108.800 0.004 0.000 2.491 388 G HA2 0.479 4.440 3.960 0.000 0.000 0.242 388 G HA3 0.479 4.440 3.960 0.000 0.000 0.242 388 G C 0.708 175.608 174.900 0.001 0.000 1.266 388 G CA 0.327 45.428 45.100 0.001 0.000 0.844 388 G HN 0.821 nan 8.290 nan 0.000 0.571 389 G N 1.025 109.826 108.800 0.001 0.000 2.661 389 G HA2 0.387 4.348 3.960 0.000 0.000 0.272 389 G HA3 0.387 4.348 3.960 0.000 0.000 0.272 389 G C -2.237 172.662 174.900 -0.001 0.000 1.296 389 G CA -0.692 44.409 45.100 0.001 0.000 0.998 389 G HN 0.568 nan 8.290 nan 0.000 0.553 390 P HA 0.247 nan 4.420 nan 0.000 0.267 390 P C 0.774 178.071 177.300 -0.004 0.000 1.209 390 P CA 1.259 64.357 63.100 -0.002 0.000 0.763 390 P CB 0.867 32.566 31.700 -0.001 0.000 0.816 391 G N 3.135 111.932 108.800 -0.006 0.000 2.179 391 G HA2 -0.271 3.689 3.960 0.000 0.000 0.260 391 G HA3 -0.271 3.689 3.960 0.000 0.000 0.260 391 G C 0.966 175.858 174.900 -0.013 0.000 0.977 391 G CA 0.303 45.398 45.100 -0.009 0.000 0.641 391 G HN 0.422 nan 8.290 nan 0.000 0.533 392 D N 0.613 121.006 120.400 -0.012 0.000 2.097 392 D HA 0.116 4.756 4.640 0.000 0.000 0.197 392 D C 2.745 179.032 176.300 -0.022 0.000 0.984 392 D CA 1.704 55.695 54.000 -0.015 0.000 0.826 392 D CB -0.623 40.170 40.800 -0.010 0.000 0.973 392 D HN 0.658 nan 8.370 nan 0.000 0.460 393 A N 1.030 123.839 122.820 -0.019 0.000 1.908 393 A HA -0.215 4.106 4.320 0.000 0.000 0.218 393 A C 2.185 179.753 177.584 -0.026 0.000 1.181 393 A CA 1.698 53.722 52.037 -0.022 0.000 0.627 393 A CB -0.495 18.496 19.000 -0.016 0.000 0.818 393 A HN 0.139 nan 8.150 nan 0.000 0.445 394 R N -0.569 119.918 120.500 -0.022 0.000 2.062 394 R HA -0.135 4.205 4.340 0.000 0.000 0.231 394 R C 1.929 178.209 176.300 -0.035 0.000 1.136 394 R CA 1.564 57.650 56.100 -0.022 0.000 0.948 394 R CB -0.298 29.993 30.300 -0.015 0.000 0.845 394 R HN 0.449 nan 8.270 nan 0.000 0.430 395 E N 0.014 120.190 120.200 -0.040 0.000 2.118 395 E HA -0.144 4.206 4.350 0.000 0.000 0.195 395 E C 1.930 178.479 176.600 -0.086 0.000 0.992 395 E CA 1.768 58.132 56.400 -0.061 0.000 0.804 395 E CB -0.277 29.394 29.700 -0.048 0.000 0.741 395 E HN 0.423 nan 8.360 nan 0.000 0.458 396 T N 1.614 116.128 114.554 -0.067 0.000 2.737 396 T HA -0.075 4.275 4.350 0.000 0.000 0.265 396 T C 2.129 176.781 174.700 -0.081 0.000 1.038 396 T CA 0.815 62.870 62.100 -0.074 0.000 1.144 396 T CB -0.169 68.665 68.868 -0.057 0.000 0.866 396 T HN 0.095 nan 8.240 nan 0.000 0.434 397 L N 0.297 121.483 121.223 -0.061 0.000 2.156 397 L HA 0.066 4.407 4.340 0.000 0.000 0.208 397 L C 2.444 179.282 176.870 -0.055 0.000 1.095 397 L CA 0.652 55.464 54.840 -0.047 0.000 0.770 397 L CB -0.542 41.502 42.059 -0.025 0.000 0.914 397 L HN 0.226 nan 8.230 nan 0.000 0.439 398 L N -0.381 120.798 121.223 -0.073 0.000 2.012 398 L HA -0.246 4.094 4.340 0.000 0.000 0.210 398 L C 2.891 179.653 176.870 -0.180 0.000 1.073 398 L CA 1.524 56.306 54.840 -0.097 0.000 0.748 398 L CB -0.339 41.654 42.059 -0.110 0.000 0.891 398 L HN 0.238 nan 8.230 nan 0.000 0.431 399 R N -0.813 119.537 120.500 -0.250 0.000 2.073 399 R HA -0.119 4.221 4.340 0.000 0.000 0.229 399 R C 2.363 178.569 176.300 -0.157 0.000 1.120 399 R CA 1.825 57.709 56.100 -0.361 0.000 0.967 399 R CB -0.561 29.519 30.300 -0.367 0.000 0.862 399 R HN 0.513 nan 8.270 nan 0.000 0.436 400 T N -1.682 112.811 114.554 -0.102 0.000 2.821 400 T HA -0.086 4.265 4.350 0.000 0.000 0.267 400 T C 1.911 176.605 174.700 -0.011 0.000 1.046 400 T CA 1.700 63.769 62.100 -0.051 0.000 1.139 400 T CB -0.426 68.416 68.868 -0.043 0.000 0.871 400 T HN 0.086 nan 8.240 nan 0.000 0.454 401 T N 2.308 116.852 114.554 -0.016 0.000 2.708 401 T HA 0.101 4.451 4.350 0.000 0.000 0.266 401 T C 2.512 177.229 174.700 0.028 0.000 1.037 401 T CA 1.289 63.395 62.100 0.010 0.000 1.146 401 T CB -0.893 67.984 68.868 0.015 0.000 0.865 401 T HN 0.600 nan 8.240 nan 0.000 0.435 402 A N 1.337 124.170 122.820 0.022 0.000 1.940 402 A HA -0.060 4.260 4.320 0.000 0.000 0.219 402 A C 2.330 180.010 177.584 0.160 0.000 1.176 402 A CA 1.584 53.683 52.037 0.103 0.000 0.631 402 A CB -0.717 18.353 19.000 0.117 0.000 0.814 402 A HN 0.475 nan 8.150 nan 0.000 0.446 403 M N -1.546 118.134 119.600 0.133 0.000 2.254 403 M HA -0.057 4.423 4.480 0.000 0.000 0.265 403 M C 1.241 177.620 176.300 0.132 0.000 1.066 403 M CA 0.503 55.878 55.300 0.126 0.000 1.123 403 M CB -0.240 32.362 32.600 0.004 0.000 1.388 403 M HN 0.397 nan 8.290 nan 0.000 0.425 404 c N 2.840 121.494 118.600 0.091 0.000 2.645 404 c HA 0.175 4.746 4.570 0.000 0.000 0.451 404 c C 0.924 175.047 174.090 0.055 0.000 1.018 404 c CA -0.386 55.989 56.329 0.077 0.000 1.180 404 c CB -1.912 40.632 42.510 0.056 0.000 1.563 404 c HN 0.261 nan 8.230 nan 0.000 0.551 405 T N 2.710 117.302 114.554 0.063 0.000 2.802 405 T HA 0.254 4.604 4.350 0.000 0.000 0.305 405 T C 1.419 176.128 174.700 0.016 0.000 1.053 405 T CA 0.463 62.586 62.100 0.038 0.000 1.058 405 T CB 1.007 69.906 68.868 0.051 0.000 0.988 405 T HN 0.792 nan 8.240 nan 0.000 0.539 406 A N 0.929 123.744 122.820 -0.009 0.000 1.933 406 A HA -0.112 4.208 4.320 0.000 0.000 0.218 406 A C 2.198 179.776 177.584 -0.009 0.000 1.175 406 A CA 1.908 53.934 52.037 -0.018 0.000 0.628 406 A CB -0.662 18.315 19.000 -0.038 0.000 0.814 406 A HN 0.973 nan 8.150 nan 0.000 0.444 407 E N -0.633 119.563 120.200 -0.006 0.000 2.077 407 E HA -0.262 4.088 4.350 0.000 0.000 0.193 407 E C 2.243 178.850 176.600 0.011 0.000 0.989 407 E CA 1.394 57.793 56.400 -0.002 0.000 0.800 407 E CB -0.070 29.629 29.700 -0.002 0.000 0.746 407 E HN 0.444 nan 8.360 nan 0.000 0.452 408 R N 0.536 121.052 120.500 0.027 0.000 2.073 408 R HA -0.015 4.326 4.340 0.000 0.000 0.229 408 R C 2.065 178.386 176.300 0.034 0.000 1.120 408 R CA 1.610 57.734 56.100 0.040 0.000 0.967 408 R CB -0.717 29.631 30.300 0.081 0.000 0.862 408 R HN 0.208 nan 8.270 nan 0.000 0.436 409 A N 0.335 123.172 122.820 0.029 0.000 1.908 409 A HA -0.100 4.220 4.320 0.000 0.000 0.218 409 A C 2.363 179.956 177.584 0.014 0.000 1.181 409 A CA 1.929 53.980 52.037 0.022 0.000 0.627 409 A CB -1.121 17.888 19.000 0.015 0.000 0.818 409 A HN 0.479 nan 8.150 nan 0.000 0.445 410 A N -0.354 122.470 122.820 0.007 0.000 1.930 410 A HA 0.204 4.525 4.320 0.000 0.000 0.217 410 A C 2.471 180.058 177.584 0.004 0.000 1.175 410 A CA 1.928 53.966 52.037 0.002 0.000 0.627 410 A CB -0.909 18.088 19.000 -0.004 0.000 0.815 410 A HN 1.050 nan 8.150 nan 0.000 0.443 411 A N -0.029 122.795 122.820 0.006 0.000 1.902 411 A HA 0.164 4.484 4.320 0.000 0.000 0.217 411 A C 2.489 180.081 177.584 0.013 0.000 1.181 411 A CA 1.988 54.028 52.037 0.005 0.000 0.623 411 A CB -0.973 18.027 19.000 0.000 0.000 0.818 411 A HN 1.034 nan 8.150 nan 0.000 0.443 412 A N -0.145 122.687 122.820 0.021 0.000 1.933 412 A HA 0.147 4.467 4.320 0.000 0.000 0.218 412 A C 2.481 180.083 177.584 0.030 0.000 1.175 412 A CA 2.095 54.151 52.037 0.032 0.000 0.628 412 A CB -0.935 18.086 19.000 0.034 0.000 0.814 412 A HN 1.035 nan 8.150 nan 0.000 0.444 413 A N -0.515 122.316 122.820 0.018 0.000 1.898 413 A HA -0.098 4.223 4.320 0.000 0.000 0.216 413 A C 1.984 179.569 177.584 0.002 0.000 1.181 413 A CA 2.043 54.086 52.037 0.010 0.000 0.620 413 A CB -0.421 18.583 19.000 0.006 0.000 0.819 413 A HN 0.484 nan 8.150 nan 0.000 0.442 414 E N -0.159 120.041 120.200 -0.001 0.000 2.077 414 E HA -0.158 4.193 4.350 0.000 0.000 0.193 414 E C 1.787 178.377 176.600 -0.015 0.000 0.989 414 E CA 1.163 57.556 56.400 -0.011 0.000 0.800 414 E CB -0.455 29.238 29.700 -0.011 0.000 0.746 414 E HN 0.371 nan 8.360 nan 0.000 0.452 415 L N 0.437 121.662 121.223 0.004 0.000 2.042 415 L HA -0.155 4.185 4.340 0.000 0.000 0.210 415 L C 2.157 179.015 176.870 -0.019 0.000 1.076 415 L CA 2.305 57.154 54.840 0.015 0.000 0.749 415 L CB -1.166 40.944 42.059 0.084 0.000 0.893 415 L HN 0.163 nan 8.230 nan 0.000 0.432 416 T N -0.539 114.020 114.554 0.008 0.000 2.635 416 T HA -0.263 4.087 4.350 0.000 0.000 0.267 416 T C 2.035 176.698 174.700 -0.061 0.000 1.040 416 T CA 1.827 63.920 62.100 -0.012 0.000 1.156 416 T CB -0.269 68.607 68.868 0.014 0.000 0.863 416 T HN 0.309 nan 8.240 nan 0.000 0.430 417 R N 0.515 120.988 120.500 -0.045 0.000 2.094 417 R HA -0.130 4.210 4.340 0.000 0.000 0.239 417 R C 2.758 179.012 176.300 -0.076 0.000 1.137 417 R CA 1.604 57.675 56.100 -0.049 0.000 0.943 417 R CB -0.572 29.707 30.300 -0.035 0.000 0.850 417 R HN 0.412 nan 8.270 nan 0.000 0.433 418 A N 0.502 123.267 122.820 -0.092 0.000 1.908 418 A HA -0.163 4.157 4.320 0.000 0.000 0.218 418 A C 2.303 179.778 177.584 -0.181 0.000 1.181 418 A CA 1.874 53.835 52.037 -0.126 0.000 0.627 418 A CB -0.731 18.201 19.000 -0.114 0.000 0.818 418 A HN 0.511 nan 8.150 nan 0.000 0.445 419 A N -0.434 122.241 122.820 -0.242 0.000 1.933 419 A HA 0.026 4.346 4.320 0.000 0.000 0.218 419 A C 1.991 179.517 177.584 -0.098 0.000 1.175 419 A CA 1.414 53.269 52.037 -0.304 0.000 0.628 419 A CB -0.493 17.994 19.000 -0.854 0.000 0.814 419 A HN 0.478 nan 8.150 nan 0.000 0.444 420 L N -0.086 121.076 121.223 -0.102 0.000 2.554 420 L HA 0.059 4.399 4.340 0.000 0.000 0.226 420 L C 1.276 178.130 176.870 -0.027 0.000 1.137 420 L CA -0.022 54.782 54.840 -0.060 0.000 0.863 420 L CB -0.347 41.665 42.059 -0.079 0.000 0.985 420 L HN 0.341 nan 8.230 nan 0.000 0.451 421 S N 0.933 116.603 115.700 -0.050 0.000 2.552 421 S HA 0.075 4.546 4.470 0.000 0.000 0.289 421 S C -1.247 173.340 174.600 -0.021 0.000 1.304 421 S CA -1.062 57.109 58.200 -0.047 0.000 1.063 421 S CB 0.876 64.022 63.200 -0.090 0.000 0.848 421 S HN 0.014 nan 8.310 nan 0.000 0.499 422 P HA 0.041 nan 4.420 nan 0.000 0.230 422 P C 0.795 178.095 177.300 0.001 0.000 1.158 422 P CA 0.733 63.853 63.100 0.033 0.000 0.769 422 P CB -0.116 31.611 31.700 0.045 0.000 0.807 423 T N -4.238 110.284 114.554 -0.052 0.000 3.176 423 T HA 0.534 4.885 4.350 0.000 0.000 0.263 423 T C 0.696 175.280 174.700 -0.194 0.000 1.021 423 T CA -0.567 61.478 62.100 -0.092 0.000 0.905 423 T CB -0.502 68.321 68.868 -0.075 0.000 1.057 423 T HN 0.016 nan 8.240 nan 0.000 0.558 424 A N 1.214 123.876 122.820 -0.263 0.000 2.488 424 A HA 0.711 5.032 4.320 0.000 0.000 0.249 424 A C 0.646 177.685 177.584 -0.910 0.000 1.083 424 A CA -0.280 51.419 52.037 -0.564 0.000 0.768 424 A CB -0.262 18.392 19.000 -0.576 0.000 1.017 424 A HN 0.877 nan 8.150 nan 0.000 0.496 425 A N 1.763 123.999 122.820 -0.973 0.000 2.337 425 A HA 0.648 4.968 4.320 0.000 0.000 0.331 425 A C -0.456 176.542 177.584 -0.977 0.000 1.137 425 A CA -0.682 50.833 52.037 -0.871 0.000 0.807 425 A CB 0.592 19.359 19.000 -0.388 0.000 1.250 425 A HN 0.984 nan 8.150 nan 0.000 0.468 426 W N 1.136 122.435 121.300 -0.002 0.000 2.862 426 W HA 0.201 4.861 4.660 0.000 0.000 0.426 426 W C 0.711 177.230 176.519 -0.000 0.000 0.950 426 W CA -0.364 56.984 57.345 0.005 0.000 2.150 426 W CB 0.003 29.473 29.460 0.017 0.000 1.161 426 W HN 0.830 nan 8.180 nan 0.000 0.696 427 N N 1.503 120.244 118.700 0.069 0.000 2.104 427 N HA -0.147 4.593 4.740 0.000 0.000 0.190 427 N C 0.148 175.694 175.510 0.060 0.000 1.024 427 N CA 1.166 54.243 53.050 0.046 0.000 0.853 427 N CB -0.062 38.421 38.487 -0.005 0.000 1.008 427 N HN 0.234 nan 8.380 nan 0.000 0.424 428 E N 1.297 121.538 120.200 0.069 0.000 2.167 428 E HA 0.210 4.561 4.350 0.000 0.000 0.284 428 E C -2.325 174.377 176.600 0.169 0.000 1.016 428 E CA -2.001 54.450 56.400 0.084 0.000 0.817 428 E CB 0.909 30.642 29.700 0.055 0.000 1.080 428 E HN 0.189 nan 8.360 nan 0.000 0.397 429 P HA -0.041 nan 4.420 nan 0.000 0.266 429 P C -1.041 176.353 177.300 0.157 0.000 1.195 429 P CA 0.104 63.271 63.100 0.111 0.000 0.768 429 P CB 0.351 32.049 31.700 -0.003 0.000 0.838 430 F N 1.982 121.911 119.950 -0.034 0.000 2.493 430 F HA 0.507 5.035 4.527 0.001 0.000 0.329 430 F C -0.399 175.188 175.800 -0.356 0.000 1.126 430 F CA -0.501 57.437 58.000 -0.105 0.000 0.937 430 F CB 1.876 40.903 39.000 0.044 0.000 1.146 430 F HN 0.250 nan 8.300 nan 0.000 0.442 431 S N 6.225 121.167 115.700 -1.264 0.000 2.513 431 S HA 0.343 4.813 4.470 0.000 0.000 0.299 431 S C 0.732 174.382 174.600 -1.583 0.000 1.087 431 S CA -0.833 56.459 58.200 -1.513 0.000 1.012 431 S CB 1.333 63.948 63.200 -0.975 0.000 1.044 431 S HN 0.982 nan 8.310 nan 0.000 0.485 432 L N 5.055 125.708 121.223 -0.951 0.000 2.265 432 L HA 0.055 4.396 4.340 0.000 0.000 0.215 432 L C 1.309 177.924 176.870 -0.424 0.000 1.117 432 L CA 1.415 55.975 54.840 -0.467 0.000 0.782 432 L CB -0.421 41.606 42.059 -0.053 0.000 0.914 432 L HN 0.764 nan 8.230 nan 0.000 0.441 433 L N 0.301 121.201 121.223 -0.537 0.000 2.265 433 L HA -0.170 4.171 4.340 0.000 0.000 0.215 433 L C 1.968 178.622 176.870 -0.360 0.000 1.117 433 L CA 0.870 55.376 54.840 -0.557 0.000 0.782 433 L CB -0.829 40.813 42.059 -0.696 0.000 0.914 433 L HN 0.362 nan 8.230 nan 0.000 0.441 434 D N -0.196 119.981 120.400 -0.370 0.000 2.264 434 D HA -0.120 4.521 4.640 0.000 0.000 0.208 434 D C 2.186 178.438 176.300 -0.080 0.000 0.966 434 D CA 1.471 55.346 54.000 -0.209 0.000 0.864 434 D CB 0.002 40.678 40.800 -0.206 0.000 0.933 434 D HN 0.403 nan 8.370 nan 0.000 0.499 435 V N -1.723 118.155 119.914 -0.061 0.000 2.685 435 V HA -0.016 4.105 4.120 0.000 0.000 0.244 435 V C 2.061 178.148 176.094 -0.012 0.000 1.054 435 V CA 0.461 62.772 62.300 0.018 0.000 1.076 435 V CB -0.456 31.428 31.823 0.101 0.000 0.725 435 V HN -0.057 nan 8.190 nan 0.000 0.467 436 L N 1.157 122.338 121.223 -0.071 0.000 2.217 436 L HA 0.260 4.600 4.340 0.000 0.000 0.211 436 L C 1.495 178.377 176.870 0.020 0.000 1.107 436 L CA 1.481 56.292 54.840 -0.048 0.000 0.783 436 L CB -0.611 41.358 42.059 -0.149 0.000 0.919 436 L HN 0.544 nan 8.230 nan 0.000 0.442 437 S N -0.151 115.556 115.700 0.012 0.000 2.478 437 S HA 0.435 4.906 4.470 0.000 0.000 0.312 437 S C -1.756 172.926 174.600 0.136 0.000 1.094 437 S CA -1.276 56.982 58.200 0.097 0.000 1.081 437 S CB 1.455 64.726 63.200 0.117 0.000 1.007 437 S HN -0.025 nan 8.310 nan 0.000 0.475 438 P HA 0.133 nan 4.420 nan 0.000 0.235 438 P C 1.226 178.577 177.300 0.085 0.000 1.177 438 P CA 0.349 63.528 63.100 0.131 0.000 0.785 438 P CB -0.109 31.675 31.700 0.140 0.000 0.885 439 c N 0.560 119.207 118.600 0.080 0.000 2.446 439 c HA 0.084 4.654 4.570 0.000 0.000 0.277 439 c C 3.018 177.137 174.090 0.047 0.000 1.275 439 c CA 1.371 57.735 56.329 0.058 0.000 1.727 439 c CB -1.674 40.867 42.510 0.052 0.000 2.010 439 c HN 0.252 nan 8.230 nan 0.000 0.486 440 A N 0.296 123.146 122.820 0.049 0.000 2.206 440 A HA 0.116 4.436 4.320 0.000 0.000 0.211 440 A C 1.638 179.256 177.584 0.057 0.000 1.158 440 A CA 1.421 53.487 52.037 0.048 0.000 0.761 440 A CB -0.365 18.661 19.000 0.043 0.000 0.801 440 A HN 0.711 nan 8.150 nan 0.000 0.473 441 V N -1.490 118.459 119.914 0.059 0.000 3.177 441 V HA 0.374 4.494 4.120 0.000 0.000 0.342 441 V C 0.329 176.430 176.094 0.011 0.000 1.379 441 V CA 0.323 62.643 62.300 0.033 0.000 1.191 441 V CB -1.248 30.585 31.823 0.018 0.000 1.167 441 V HN 0.494 nan 8.190 nan 0.000 0.471 442 S N -0.042 115.671 115.700 0.021 0.000 2.715 442 S HA 0.702 5.172 4.470 0.000 0.000 0.307 442 S C 0.092 174.704 174.600 0.021 0.000 1.119 442 S CA -0.807 57.403 58.200 0.016 0.000 0.937 442 S CB 1.894 65.109 63.200 0.024 0.000 1.150 442 S HN 0.203 nan 8.310 nan 0.000 0.521 443 L N 0.306 121.543 121.223 0.024 0.000 2.653 443 L HA 0.384 4.724 4.340 0.000 0.000 0.231 443 L C 1.262 178.158 176.870 0.043 0.000 1.153 443 L CA -0.094 54.767 54.840 0.034 0.000 0.933 443 L CB -0.205 41.878 42.059 0.040 0.000 1.175 443 L HN 0.592 nan 8.230 nan 0.000 0.473 444 R N 1.105 121.626 120.500 0.035 0.000 2.248 444 R HA 0.127 4.468 4.340 0.000 0.000 0.337 444 R C 1.079 177.395 176.300 0.028 0.000 1.085 444 R CA -0.067 56.050 56.100 0.029 0.000 0.934 444 R CB 0.470 30.781 30.300 0.017 0.000 1.034 444 R HN 0.231 nan 8.270 nan 0.000 0.465 445 R N 1.864 122.383 120.500 0.031 0.000 2.080 445 R HA -0.020 4.321 4.340 0.000 0.000 0.222 445 R C -0.122 176.191 176.300 0.022 0.000 1.107 445 R CA 0.764 56.881 56.100 0.028 0.000 0.980 445 R CB 0.185 30.504 30.300 0.032 0.000 0.879 445 R HN 0.576 nan 8.270 nan 0.000 0.439 446 D N -0.158 120.253 120.400 0.017 0.000 2.283 446 D HA 0.342 4.982 4.640 0.000 0.000 0.248 446 D C -0.828 175.476 176.300 0.005 0.000 1.072 446 D CA -0.095 53.911 54.000 0.011 0.000 0.929 446 D CB 1.173 41.978 40.800 0.007 0.000 1.182 446 D HN -0.133 nan 8.370 nan 0.000 0.433 452 T N 0.385 114.946 114.554 0.012 0.000 3.243 452 T HA 0.480 4.831 4.350 0.000 0.000 0.264 452 T C -0.190 174.520 174.700 0.016 0.000 1.000 452 T CA 0.858 62.967 62.100 0.015 0.000 0.901 452 T CB -1.412 67.466 68.868 0.016 0.000 1.083 452 T HN 1.207 nan 8.240 nan 0.000 0.559 453 L N -1.741 119.491 121.223 0.016 0.000 3.132 453 L HA 0.704 5.044 4.340 0.000 0.000 0.333 453 L C 1.286 178.167 176.870 0.018 0.000 1.293 453 L CA -0.744 54.105 54.840 0.016 0.000 0.809 453 L CB -0.361 41.707 42.059 0.014 0.000 1.244 453 L HN -0.050 nan 8.230 nan 0.000 0.586 454 A N 0.001 122.832 122.820 0.018 0.000 2.119 454 A HA -0.034 4.286 4.320 0.000 0.000 0.217 454 A C 1.806 179.403 177.584 0.021 0.000 1.153 454 A CA 1.225 53.273 52.037 0.019 0.000 0.692 454 A CB -0.388 18.623 19.000 0.019 0.000 0.799 454 A HN 0.591 nan 8.150 nan 0.000 0.458 455 N N 0.315 119.027 118.700 0.021 0.000 2.381 455 N HA -0.067 4.673 4.740 0.000 0.000 0.182 455 N C 1.503 177.026 175.510 0.021 0.000 1.025 455 N CA 0.845 53.907 53.050 0.021 0.000 0.888 455 N CB -0.392 38.107 38.487 0.021 0.000 0.965 455 N HN 0.539 nan 8.380 nan 0.000 0.438 456 L N 0.130 121.365 121.223 0.021 0.000 2.017 456 L HA -0.081 4.259 4.340 0.000 0.000 0.208 456 L C 2.485 179.372 176.870 0.027 0.000 1.073 456 L CA 1.366 56.218 54.840 0.021 0.000 0.745 456 L CB -1.054 41.017 42.059 0.020 0.000 0.894 456 L HN 0.182 nan 8.230 nan 0.000 0.432 457 G N -0.066 108.752 108.800 0.029 0.000 2.491 457 G HA2 -0.326 3.634 3.960 0.000 0.000 0.218 457 G HA3 -0.326 3.634 3.960 0.000 0.000 0.218 457 G C 1.752 176.675 174.900 0.038 0.000 1.180 457 G CA 1.045 46.166 45.100 0.034 0.000 0.774 457 G HN 0.484 nan 8.290 nan 0.000 0.562 458 A N 0.983 123.823 122.820 0.034 0.000 1.902 458 A HA 0.282 4.602 4.320 0.000 0.000 0.217 458 A C 2.831 180.441 177.584 0.043 0.000 1.181 458 A CA 2.323 54.381 52.037 0.035 0.000 0.623 458 A CB -0.786 18.231 19.000 0.028 0.000 0.818 458 A HN 0.867 nan 8.150 nan 0.000 0.443 459 A N -0.052 122.792 122.820 0.039 0.000 1.877 459 A HA 0.148 4.468 4.320 0.000 0.000 0.216 459 A C 2.525 180.148 177.584 0.064 0.000 1.186 459 A CA 2.169 54.231 52.037 0.042 0.000 0.620 459 A CB -1.084 17.929 19.000 0.022 0.000 0.822 459 A HN 1.074 nan 8.150 nan 0.000 0.443 460 A N -0.310 122.551 122.820 0.069 0.000 1.933 460 A HA -0.164 4.156 4.320 0.000 0.000 0.218 460 A C 2.236 179.914 177.584 0.157 0.000 1.175 460 A CA 1.601 53.716 52.037 0.130 0.000 0.628 460 A CB -0.446 18.626 19.000 0.119 0.000 0.814 460 A HN 0.555 nan 8.150 nan 0.000 0.444 461 R N -1.141 119.417 120.500 0.097 0.000 2.092 461 R HA -0.067 4.273 4.340 0.000 0.000 0.231 461 R C 2.129 178.487 176.300 0.096 0.000 1.119 461 R CA 1.332 57.479 56.100 0.078 0.000 0.970 461 R CB -0.484 29.847 30.300 0.051 0.000 0.864 461 R HN 0.534 nan 8.270 nan 0.000 0.440 462 L N 0.638 121.922 121.223 0.102 0.000 2.027 462 L HA -0.036 4.304 4.340 0.000 0.000 0.206 462 L C 2.233 179.217 176.870 0.189 0.000 1.074 462 L CA 1.997 56.906 54.840 0.114 0.000 0.745 462 L CB -0.649 41.462 42.059 0.087 0.000 0.898 462 L HN 0.100 nan 8.230 nan 0.000 0.433 463 A N -0.324 122.635 122.820 0.232 0.000 1.978 463 A HA -0.190 4.130 4.320 0.000 0.000 0.220 463 A C 2.271 180.202 177.584 0.578 0.000 1.170 463 A CA 2.049 54.312 52.037 0.376 0.000 0.636 463 A CB -1.046 18.110 19.000 0.260 0.000 0.810 463 A HN 0.559 nan 8.150 nan 0.000 0.448 464 L N -0.630 120.806 121.223 0.356 0.000 2.191 464 L HA -0.063 4.277 4.340 0.000 0.000 0.212 464 L C 1.732 178.795 176.870 0.322 0.000 1.103 464 L CA 0.246 55.199 54.840 0.189 0.000 0.769 464 L CB -0.659 41.394 42.059 -0.010 0.000 0.908 464 L HN 0.422 nan 8.230 nan 0.000 0.438 465 A N 1.169 124.145 122.820 0.260 0.000 2.511 465 A HA 0.237 4.557 4.320 0.000 0.000 0.242 465 A C -2.028 175.573 177.584 0.029 0.000 1.069 465 A CA -1.009 51.108 52.037 0.133 0.000 0.763 465 A CB -0.542 18.503 19.000 0.075 0.000 1.001 465 A HN -0.000 nan 8.150 nan 0.000 0.498 466 P HA 0.227 nan 4.420 nan 0.000 0.272 466 P C 0.095 176.983 177.300 -0.687 0.000 1.230 466 P CA 0.206 62.934 63.100 -0.619 0.000 0.788 466 P CB 1.141 32.659 31.700 -0.303 0.000 0.949 467 A N 1.504 123.698 122.820 -1.044 0.000 2.423 467 A HA 0.395 4.715 4.320 0.000 0.000 0.246 467 A C 1.185 178.554 177.584 -0.357 0.000 1.278 467 A CA 0.089 51.705 52.037 -0.701 0.000 0.903 467 A CB -0.815 17.614 19.000 -0.953 0.000 0.997 467 A HN 0.630 nan 8.150 nan 0.000 0.510 484 E N 1.165 121.369 120.200 0.005 0.000 2.376 484 E HA 0.016 4.366 4.350 0.000 0.000 0.266 484 E C 0.198 176.805 176.600 0.011 0.000 1.009 484 E CA 0.530 56.934 56.400 0.008 0.000 0.902 484 E CB 0.896 30.601 29.700 0.007 0.000 0.972 484 E HN 0.548 nan 8.360 nan 0.000 0.439 485 E N 2.589 122.797 120.200 0.014 0.000 2.110 485 E HA -0.152 4.198 4.350 0.000 0.000 0.193 485 E C -0.017 176.598 176.600 0.025 0.000 0.988 485 E CA 0.946 57.357 56.400 0.019 0.000 0.804 485 E CB 0.108 29.820 29.700 0.020 0.000 0.745 485 E HN 0.515 nan 8.360 nan 0.000 0.458 486 D N 0.448 120.862 120.400 0.023 0.000 2.342 486 D HA -0.008 4.632 4.640 0.000 0.000 0.260 486 D C -1.840 174.471 176.300 0.018 0.000 1.278 486 D CA -2.030 51.984 54.000 0.025 0.000 0.910 486 D CB 1.134 41.947 40.800 0.022 0.000 1.079 486 D HN -0.086 nan 8.370 nan 0.000 0.496 487 P HA -0.078 nan 4.420 nan 0.000 0.225 487 P C 1.559 178.860 177.300 0.002 0.000 1.156 487 P CA 0.182 63.287 63.100 0.009 0.000 0.787 487 P CB 0.428 32.133 31.700 0.007 0.000 0.802 488 V N 0.740 120.656 119.914 0.004 0.000 2.307 488 V HA -0.200 3.920 4.120 0.000 0.000 0.245 488 V C 2.642 178.738 176.094 0.004 0.000 1.045 488 V CA 2.245 64.546 62.300 0.002 0.000 1.024 488 V CB -1.749 30.078 31.823 0.006 0.000 0.651 488 V HN 0.097 nan 8.190 nan 0.000 0.449 489 A N -0.011 122.814 122.820 0.008 0.000 1.902 489 A HA -0.255 4.066 4.320 0.000 0.000 0.217 489 A C 2.393 179.980 177.584 0.004 0.000 1.181 489 A CA 2.047 54.089 52.037 0.007 0.000 0.623 489 A CB -0.588 18.418 19.000 0.010 0.000 0.818 489 A HN 0.476 nan 8.150 nan 0.000 0.443 490 R N -0.421 120.081 120.500 0.004 0.000 2.091 490 R HA -0.131 4.209 4.340 0.000 0.000 0.238 490 R C 2.235 178.534 176.300 -0.002 0.000 1.136 490 R CA 1.485 57.585 56.100 0.001 0.000 0.959 490 R CB -0.368 29.934 30.300 0.003 0.000 0.856 490 R HN 0.460 nan 8.270 nan 0.000 0.437 491 A N -0.183 122.635 122.820 -0.003 0.000 1.969 491 A HA 0.138 4.458 4.320 0.000 0.000 0.218 491 A C 1.049 178.630 177.584 -0.006 0.000 1.169 491 A CA 1.344 53.377 52.037 -0.006 0.000 0.635 491 A CB 0.032 19.027 19.000 -0.009 0.000 0.810 491 A HN 0.397 nan 8.150 nan 0.000 0.445 492 A N -0.911 121.907 122.820 -0.004 0.000 3.156 492 A HA 0.600 4.920 4.320 0.000 0.000 0.311 492 A C -2.064 175.518 177.584 -0.003 0.000 1.129 492 A CA -0.826 51.209 52.037 -0.004 0.000 0.809 492 A CB 0.471 19.471 19.000 -0.001 0.000 1.257 492 A HN 0.094 nan 8.150 nan 0.000 0.491 493 P HA -0.140 nan 4.420 nan 0.000 0.226 493 P C 1.348 178.644 177.300 -0.007 0.000 1.153 493 P CA 1.116 64.213 63.100 -0.004 0.000 0.777 493 P CB 0.294 31.991 31.700 -0.005 0.000 0.794 494 E N 0.475 120.668 120.200 -0.011 0.000 2.409 494 E HA -0.106 4.244 4.350 0.000 0.000 0.198 494 E C 0.527 177.119 176.600 -0.013 0.000 1.024 494 E CA 0.360 56.750 56.400 -0.017 0.000 0.861 494 E CB -0.821 28.864 29.700 -0.026 0.000 0.788 494 E HN 0.294 nan 8.360 nan 0.000 0.521 495 I N 4.434 125.001 120.570 -0.004 0.000 2.436 495 I HA 0.096 4.266 4.170 0.000 0.000 0.289 495 I C -1.771 174.349 176.117 0.006 0.000 1.083 495 I CA -1.769 59.534 61.300 0.004 0.000 1.372 495 I CB 0.448 38.457 38.000 0.014 0.000 1.408 495 I HN -0.016 nan 8.210 nan 0.000 0.516 496 P HA 0.218 nan 4.420 nan 0.000 0.276 496 P C 0.337 177.644 177.300 0.013 0.000 1.261 496 P CA -0.533 62.570 63.100 0.005 0.000 0.800 496 P CB 0.980 32.680 31.700 -0.000 0.000 1.066 497 A N 0.837 123.663 122.820 0.011 0.000 1.969 497 A HA -0.182 4.138 4.320 0.000 0.000 0.218 497 A C 1.781 179.376 177.584 0.018 0.000 1.169 497 A CA 1.692 53.737 52.037 0.014 0.000 0.635 497 A CB -1.158 17.848 19.000 0.011 0.000 0.810 497 A HN 0.765 nan 8.150 nan 0.000 0.445 498 E N 0.095 120.305 120.200 0.017 0.000 2.511 498 E HA 0.350 4.701 4.350 0.000 0.000 0.196 498 E C 0.647 177.267 176.600 0.032 0.000 1.066 498 E CA 0.250 56.662 56.400 0.020 0.000 0.871 498 E CB -0.270 29.438 29.700 0.014 0.000 0.863 498 E HN 0.430 nan 8.360 nan 0.000 0.520 499 A N 1.425 124.268 122.820 0.038 0.000 2.491 499 A HA 0.180 4.500 4.320 0.000 0.000 0.261 499 A C 0.917 178.541 177.584 0.068 0.000 1.101 499 A CA -0.307 51.767 52.037 0.060 0.000 0.772 499 A CB 0.072 19.107 19.000 0.058 0.000 1.043 499 A HN 0.384 nan 8.150 nan 0.000 0.501 500 L N 2.112 123.388 121.223 0.088 0.000 2.056 500 L HA 0.121 4.461 4.340 0.000 0.000 0.207 500 L C 0.687 177.601 176.870 0.074 0.000 1.078 500 L CA 1.028 55.910 54.840 0.069 0.000 0.749 500 L CB -0.320 41.776 42.059 0.061 0.000 0.901 500 L HN 0.669 nan 8.230 nan 0.000 0.433 501 L N -0.978 120.330 121.223 0.140 0.000 2.505 501 L HA 0.735 5.076 4.340 0.000 0.000 0.259 501 L C -1.559 175.454 176.870 0.239 0.000 0.952 501 L CA -0.427 54.507 54.840 0.156 0.000 0.840 501 L CB 1.976 44.094 42.059 0.099 0.000 1.358 501 L HN -0.144 nan 8.230 nan 0.000 0.409 502 A N 4.510 127.430 122.820 0.168 0.000 2.435 502 A HA 0.874 5.195 4.320 0.000 0.000 0.304 502 A C -1.722 175.948 177.584 0.143 0.000 1.064 502 A CA -0.490 51.638 52.037 0.152 0.000 0.727 502 A CB 1.705 20.759 19.000 0.089 0.000 1.284 502 A HN 0.621 nan 8.150 nan 0.000 0.415 503 L N 3.157 124.477 121.223 0.162 0.000 2.401 503 L HA 0.375 4.715 4.340 0.000 0.000 0.263 503 L C -2.381 174.569 176.870 0.133 0.000 1.004 503 L CA -1.814 53.117 54.840 0.153 0.000 0.881 503 L CB 2.094 44.272 42.059 0.199 0.000 1.219 503 L HN 0.478 nan 8.230 nan 0.000 0.441 504 P HA 0.127 nan 4.420 nan 0.000 0.268 504 P C -0.664 176.658 177.300 0.037 0.000 1.204 504 P CA 0.145 63.267 63.100 0.036 0.000 0.768 504 P CB 1.111 32.819 31.700 0.013 0.000 0.842 505 L N 3.119 124.345 121.223 0.006 0.000 2.331 505 L HA 0.495 4.835 4.340 0.000 0.000 0.268 505 L C 1.330 178.192 176.870 -0.014 0.000 1.015 505 L CA -1.325 53.512 54.840 -0.005 0.000 0.807 505 L CB 0.961 42.976 42.059 -0.073 0.000 1.293 505 L HN 0.237 nan 8.230 nan 0.000 0.451 506 R N 0.328 120.823 120.500 -0.008 0.000 2.543 506 R HA 0.326 4.666 4.340 0.000 0.000 0.277 506 R C 0.569 176.855 176.300 -0.023 0.000 1.074 506 R CA 0.614 56.708 56.100 -0.010 0.000 1.076 506 R CB 0.361 30.661 30.300 0.000 0.000 0.993 506 R HN 0.925 nan 8.270 nan 0.000 0.459 507 G N 0.835 109.622 108.800 -0.021 0.000 2.165 507 G HA2 -0.184 3.776 3.960 0.000 0.000 0.226 507 G HA3 -0.184 3.776 3.960 0.000 0.000 0.226 507 G C 0.685 175.567 174.900 -0.031 0.000 1.035 507 G CA 0.271 45.356 45.100 -0.025 0.000 0.744 507 G HN 1.135 nan 8.290 nan 0.000 0.501 508 G N -1.884 106.899 108.800 -0.028 0.000 2.179 508 G HA2 0.214 4.174 3.960 0.000 0.000 0.257 508 G HA3 0.214 4.174 3.960 0.000 0.000 0.257 508 G C 0.721 175.596 174.900 -0.041 0.000 1.010 508 G CA 1.290 46.372 45.100 -0.030 0.000 0.736 508 G HN 2.340 nan 8.290 nan 0.000 0.513 509 A N -0.845 121.942 122.820 -0.055 0.000 2.313 509 A HA 1.042 5.362 4.320 0.000 0.000 0.323 509 A C 0.330 177.862 177.584 -0.086 0.000 1.133 509 A CA 0.453 52.439 52.037 -0.085 0.000 0.847 509 A CB 1.727 20.654 19.000 -0.120 0.000 1.308 509 A HN 2.050 nan 8.150 nan 0.000 0.475 510 S N -0.734 114.896 115.700 -0.116 0.000 2.537 510 S HA 0.660 5.130 4.470 0.000 0.000 0.271 510 S C -1.060 173.459 174.600 -0.135 0.000 1.148 510 S CA -0.622 57.529 58.200 -0.082 0.000 0.868 510 S CB 0.403 63.597 63.200 -0.010 0.000 1.115 510 S HN 0.486 nan 8.310 nan 0.000 0.461 511 F N 1.237 121.159 119.950 -0.048 0.000 2.484 511 F HA 0.551 5.078 4.527 0.000 0.000 0.360 511 F C 0.320 176.042 175.800 -0.130 0.000 1.101 511 F CA -0.024 57.909 58.000 -0.112 0.000 1.251 511 F CB 1.097 40.016 39.000 -0.135 0.000 1.132 511 F HN 0.454 nan 8.300 nan 0.000 0.570 512 V N 4.818 124.729 119.914 -0.005 0.000 2.623 512 V HA 0.332 4.452 4.120 0.000 0.000 0.304 512 V C -0.833 175.168 176.094 -0.156 0.000 1.054 512 V CA -0.974 61.309 62.300 -0.028 0.000 0.882 512 V CB 1.635 33.457 31.823 -0.001 0.000 1.002 512 V HN 0.412 nan 8.190 nan 0.000 0.424 513 F N 3.354 123.327 119.950 0.039 0.000 2.408 513 F HA 0.710 5.238 4.527 0.000 0.000 0.344 513 F C 0.803 176.603 175.800 -0.001 0.000 1.112 513 F CA -0.198 57.804 58.000 0.003 0.000 1.096 513 F CB 2.010 40.995 39.000 -0.025 0.000 1.129 513 F HN 0.566 nan 8.300 nan 0.000 0.486 514 T N 0.117 114.764 114.554 0.155 0.000 2.883 514 T HA 0.474 4.825 4.350 0.000 0.000 0.296 514 T C 0.798 175.540 174.700 0.069 0.000 1.117 514 T CA -1.083 61.069 62.100 0.086 0.000 1.006 514 T CB 2.188 71.082 68.868 0.043 0.000 1.191 514 T HN 0.386 nan 8.240 nan 0.000 0.508 515 R N 0.128 120.654 120.500 0.043 0.000 2.075 515 R HA 0.194 4.535 4.340 0.000 0.000 0.226 515 R C 0.709 177.021 176.300 0.021 0.000 1.114 515 R CA 0.774 56.892 56.100 0.029 0.000 0.972 515 R CB -0.219 30.093 30.300 0.021 0.000 0.869 515 R HN 0.562 nan 8.270 nan 0.000 0.437 516 R N 1.820 122.329 120.500 0.015 0.000 2.474 516 R HA 0.227 4.568 4.340 0.000 0.000 0.295 516 R C -0.255 176.044 176.300 -0.001 0.000 0.980 516 R CA -0.652 55.452 56.100 0.006 0.000 0.934 516 R CB 1.533 31.834 30.300 0.001 0.000 1.101 516 R HN 0.170 nan 8.270 nan 0.000 0.469 517 R N 2.483 122.978 120.500 -0.009 0.000 2.570 517 R HA 0.174 4.514 4.340 0.000 0.000 0.277 517 R C -2.051 174.228 176.300 -0.035 0.000 1.039 517 R CA -1.161 54.926 56.100 -0.022 0.000 1.065 517 R CB -0.286 29.998 30.300 -0.028 0.000 0.964 517 R HN 0.294 nan 8.270 nan 0.000 0.428 518 P HA 0.073 nan 4.420 nan 0.000 0.272 518 P C -0.982 176.270 177.300 -0.081 0.000 1.223 518 P CA -0.215 62.852 63.100 -0.056 0.000 0.784 518 P CB 0.609 32.274 31.700 -0.059 0.000 0.923 519 D N 0.784 121.134 120.400 -0.083 0.000 2.304 519 D HA 0.087 4.727 4.640 0.000 0.000 0.250 519 D C 0.417 176.632 176.300 -0.142 0.000 1.107 519 D CA -0.105 53.827 54.000 -0.114 0.000 0.885 519 D CB -0.116 40.633 40.800 -0.086 0.000 1.192 519 D HN 0.392 nan 8.370 nan 0.000 0.436 520 c N 2.558 121.024 118.600 -0.223 0.000 4.365 520 c HA -0.027 4.543 4.570 0.000 0.000 0.299 520 c C 0.824 174.813 174.090 -0.168 0.000 1.409 520 c CA 0.896 57.078 56.329 -0.245 0.000 2.007 520 c CB -1.853 40.548 42.510 -0.183 0.000 1.264 520 c HN 0.720 nan 8.230 nan 0.000 0.777 521 G N -0.242 108.464 108.800 -0.157 0.000 2.667 521 G HA2 0.669 4.629 3.960 0.000 0.000 0.298 521 G HA3 0.669 4.629 3.960 0.000 0.000 0.298 521 G C -3.012 171.813 174.900 -0.125 0.000 1.377 521 G CA -0.803 44.225 45.100 -0.120 0.000 0.964 521 G HN 0.064 nan 8.290 nan 0.000 0.493 522 P HA 0.456 nan 4.420 nan 0.000 0.271 522 P C -0.343 176.861 177.300 -0.160 0.000 1.226 522 P CA 0.145 63.156 63.100 -0.149 0.000 0.765 522 P CB 1.377 33.000 31.700 -0.128 0.000 0.835 523 A N 3.500 126.186 122.820 -0.223 0.000 2.515 523 A HA 0.669 4.989 4.320 0.000 0.000 0.298 523 A C -1.731 175.684 177.584 -0.282 0.000 1.059 523 A CA -0.553 51.382 52.037 -0.171 0.000 0.698 523 A CB 1.054 19.999 19.000 -0.093 0.000 1.289 523 A HN 0.390 nan 8.150 nan 0.000 0.404 524 Y N 0.442 120.727 120.300 -0.025 0.000 2.331 524 Y HA 0.523 5.073 4.550 0.000 0.000 0.338 524 Y C 1.033 176.914 175.900 -0.031 0.000 0.992 524 Y CA -0.121 57.968 58.100 -0.019 0.000 1.121 524 Y CB 2.195 40.647 38.460 -0.014 0.000 1.184 524 Y HN 0.615 nan 8.280 nan 0.000 0.469 525 T N 4.836 119.459 114.554 0.114 0.000 2.780 525 T HA 0.350 4.700 4.350 0.000 0.000 0.294 525 T C -0.509 174.231 174.700 0.067 0.000 0.949 525 T CA -0.526 61.613 62.100 0.065 0.000 1.074 525 T CB -0.101 68.790 68.868 0.039 0.000 0.910 525 T HN 0.354 nan 8.240 nan 0.000 0.501 526 L N 5.390 126.618 121.223 0.008 0.000 2.331 526 L HA 0.520 4.861 4.340 0.000 0.000 0.278 526 L C 1.183 178.079 176.870 0.044 0.000 1.106 526 L CA 0.286 55.098 54.840 -0.046 0.000 0.824 526 L CB 0.857 42.721 42.059 -0.325 0.000 1.142 526 L HN 0.823 nan 8.230 nan 0.000 0.443 527 G N 1.479 110.354 108.800 0.124 0.000 2.467 527 G HA2 0.442 4.402 3.960 0.000 0.000 0.257 527 G HA3 0.442 4.402 3.960 0.000 0.000 0.257 527 G C 0.611 175.631 174.900 0.200 0.000 1.227 527 G CA 0.061 45.246 45.100 0.141 0.000 0.835 527 G HN 1.128 nan 8.290 nan 0.000 0.556 528 G N -0.866 108.010 108.800 0.127 0.000 2.272 528 G HA2 -0.032 3.928 3.960 0.000 0.000 0.280 528 G HA3 -0.032 3.928 3.960 0.000 0.000 0.280 528 G C -0.094 174.883 174.900 0.128 0.000 1.067 528 G CA 0.234 45.396 45.100 0.104 0.000 0.902 528 G HN 1.262 nan 8.290 nan 0.000 0.500 529 V N 0.280 120.266 119.914 0.119 0.000 2.656 529 V HA 0.387 4.508 4.120 0.000 0.000 0.307 529 V C 0.075 176.205 176.094 0.060 0.000 1.051 529 V CA -1.333 61.030 62.300 0.105 0.000 0.893 529 V CB 1.889 33.775 31.823 0.104 0.000 0.999 529 V HN 0.300 nan 8.190 nan 0.000 0.426 530 D N 2.822 123.250 120.400 0.046 0.000 2.583 530 D HA 0.007 4.648 4.640 0.000 0.000 0.232 530 D C 1.036 177.352 176.300 0.027 0.000 1.128 530 D CA 0.404 54.423 54.000 0.031 0.000 0.859 530 D CB 1.106 41.921 40.800 0.024 0.000 1.169 530 D HN 0.354 nan 8.370 nan 0.000 0.481 531 I N 2.286 122.870 120.570 0.023 0.000 2.454 531 I HA -0.228 3.942 4.170 0.000 0.000 0.254 531 I C 2.326 178.453 176.117 0.017 0.000 1.156 531 I CA 1.181 62.493 61.300 0.020 0.000 1.433 531 I CB -0.058 37.953 38.000 0.019 0.000 1.082 531 I HN 0.496 nan 8.210 nan 0.000 0.432 532 A N -0.602 122.227 122.820 0.015 0.000 2.123 532 A HA 0.040 4.360 4.320 0.000 0.000 0.214 532 A C 1.276 178.867 177.584 0.012 0.000 1.152 532 A CA 0.747 52.792 52.037 0.012 0.000 0.728 532 A CB -0.352 18.655 19.000 0.011 0.000 0.814 532 A HN 0.389 nan 8.150 nan 0.000 0.464 533 N N 0.246 118.954 118.700 0.014 0.000 2.813 533 N HA 0.300 5.041 4.740 0.000 0.000 0.282 533 N C -3.102 172.418 175.510 0.016 0.000 1.748 533 N CA -1.829 51.229 53.050 0.013 0.000 0.860 533 N CB 1.315 39.809 38.487 0.011 0.000 1.204 533 N HN 0.129 nan 8.380 nan 0.000 0.490 534 P HA 0.242 nan 4.420 nan 0.000 0.276 534 P C -0.760 176.547 177.300 0.011 0.000 1.252 534 P CA -0.336 62.773 63.100 0.015 0.000 0.802 534 P CB 1.443 33.152 31.700 0.016 0.000 1.035 535 L N 0.745 121.968 121.223 -0.001 0.000 2.343 535 L HA 0.402 4.742 4.340 0.000 0.000 0.278 535 L C -0.551 176.333 176.870 0.024 0.000 0.996 535 L CA -0.964 53.880 54.840 0.007 0.000 0.831 535 L CB 1.951 43.963 42.059 -0.079 0.000 1.232 535 L HN 0.036 nan 8.230 nan 0.000 0.413 536 V N 4.745 124.693 119.914 0.057 0.000 2.398 536 V HA 0.393 4.513 4.120 0.000 0.000 0.286 536 V C -0.106 175.999 176.094 0.018 0.000 1.026 536 V CA -0.471 61.851 62.300 0.037 0.000 0.868 536 V CB 2.218 34.052 31.823 0.018 0.000 0.982 536 V HN 0.529 nan 8.190 nan 0.000 0.443 537 L N 4.980 126.179 121.223 -0.039 0.000 2.287 537 L HA 0.864 5.205 4.340 0.000 0.000 0.287 537 L C 0.056 176.914 176.870 -0.020 0.000 1.022 537 L CA -0.151 54.551 54.840 -0.230 0.000 0.814 537 L CB 1.163 43.030 42.059 -0.320 0.000 1.217 537 L HN 0.800 nan 8.230 nan 0.000 0.420 538 A N 5.587 128.379 122.820 -0.048 0.000 2.423 538 A HA 0.777 5.097 4.320 0.000 0.000 0.304 538 A C -0.972 176.614 177.584 0.003 0.000 1.104 538 A CA -0.671 51.367 52.037 0.003 0.000 0.757 538 A CB 1.390 20.367 19.000 -0.038 0.000 1.313 538 A HN 0.667 nan 8.150 nan 0.000 0.423 539 I N 1.087 121.624 120.570 -0.055 0.000 2.336 539 I HA 0.360 4.530 4.170 0.000 0.000 0.292 539 I C -0.699 175.337 176.117 -0.134 0.000 0.991 539 I CA -0.679 60.509 61.300 -0.188 0.000 1.227 539 I CB 1.790 39.614 38.000 -0.293 0.000 1.366 539 I HN 0.231 nan 8.210 nan 0.000 0.466 540 V N 5.482 125.320 119.914 -0.127 0.000 2.304 540 V HA 0.280 4.400 4.120 0.000 0.000 0.269 540 V C 0.142 176.181 176.094 -0.091 0.000 1.036 540 V CA -0.364 61.883 62.300 -0.088 0.000 0.840 540 V CB 0.605 32.393 31.823 -0.058 0.000 1.036 540 V HN 0.849 nan 8.190 nan 0.000 0.466 541 S N 4.320 119.969 115.700 -0.085 0.000 2.530 541 S HA 0.537 5.007 4.470 0.000 0.000 0.322 541 S C -0.225 174.342 174.600 -0.055 0.000 1.085 541 S CA -0.969 57.187 58.200 -0.075 0.000 1.096 541 S CB 1.051 64.201 63.200 -0.083 0.000 0.988 541 S HN 0.584 nan 8.310 nan 0.000 0.466 548 D N 3.267 123.615 120.400 -0.087 0.000 2.308 548 D HA 0.380 5.020 4.640 0.000 0.000 0.242 548 D C -0.355 175.878 176.300 -0.112 0.000 1.059 548 D CA -0.150 53.828 54.000 -0.037 0.000 0.830 548 D CB 1.197 41.958 40.800 -0.064 0.000 1.161 548 D HN 0.724 nan 8.370 nan 0.000 0.494 549 Y N 1.521 121.793 120.300 -0.046 0.000 2.467 549 Y HA 0.079 4.630 4.550 0.000 0.000 0.250 549 Y C 1.401 177.274 175.900 -0.045 0.000 1.155 549 Y CA -0.050 58.026 58.100 -0.040 0.000 1.249 549 Y CB 1.160 39.602 38.460 -0.030 0.000 1.146 549 Y HN 0.272 nan 8.280 nan 0.000 0.524 550 T N 0.649 115.242 114.554 0.066 0.000 2.910 550 T HA 0.034 4.384 4.350 0.000 0.000 0.293 550 T C -0.535 174.145 174.700 -0.033 0.000 1.015 550 T CA -0.463 61.645 62.100 0.015 0.000 1.094 550 T CB 0.337 69.203 68.868 -0.003 0.000 0.968 550 T HN -0.011 nan 8.240 nan 0.000 0.521 551 D N 3.740 124.127 120.400 -0.022 0.000 2.411 551 D HA 0.216 4.857 4.640 0.000 0.000 0.225 551 D C -0.070 176.205 176.300 -0.042 0.000 1.156 551 D CA -0.307 53.675 54.000 -0.030 0.000 0.874 551 D CB 0.304 41.102 40.800 -0.002 0.000 1.034 551 D HN 0.352 nan 8.370 nan 0.000 0.502 552 R N 3.290 123.731 120.500 -0.099 0.000 2.474 552 R HA 0.531 4.871 4.340 0.000 0.000 0.295 552 R C 0.123 176.455 176.300 0.052 0.000 0.980 552 R CA -0.545 55.485 56.100 -0.116 0.000 0.934 552 R CB 1.991 32.004 30.300 -0.479 0.000 1.101 552 R HN 0.442 nan 8.270 nan 0.000 0.469 553 M N 2.266 121.977 119.600 0.185 0.000 2.572 553 M HA 0.400 4.880 4.480 0.000 0.000 0.299 553 M C -2.392 174.090 176.300 0.302 0.000 1.205 553 M CA -1.973 53.482 55.300 0.258 0.000 0.876 553 M CB 2.917 35.597 32.600 0.133 0.000 1.728 553 M HN 0.185 nan 8.290 nan 0.000 0.458 554 P HA 0.182 nan 4.420 nan 0.000 0.281 554 P C -1.192 176.131 177.300 0.039 0.000 1.252 554 P CA -0.200 62.906 63.100 0.010 0.000 0.778 554 P CB 0.436 32.073 31.700 -0.105 0.000 0.895 555 E N 1.230 121.451 120.200 0.034 0.000 2.366 555 E HA 0.118 4.469 4.350 0.000 0.000 0.266 555 E C -0.258 176.354 176.600 0.020 0.000 1.015 555 E CA 0.109 56.532 56.400 0.038 0.000 0.906 555 E CB 0.311 30.035 29.700 0.040 0.000 0.979 555 E HN 0.357 nan 8.360 nan 0.000 0.443 556 S N 3.639 119.348 115.700 0.014 0.000 2.455 556 S HA 0.130 4.600 4.470 0.000 0.000 0.278 556 S C -0.284 174.301 174.600 -0.024 0.000 1.216 556 S CA -0.206 57.985 58.200 -0.015 0.000 1.055 556 S CB 0.549 63.737 63.200 -0.021 0.000 0.939 556 S HN 0.392 nan 8.310 nan 0.000 0.494 557 Q N 1.454 121.226 119.800 -0.046 0.000 2.377 557 Q HA 0.361 4.701 4.340 0.000 0.000 0.279 557 Q C -0.978 174.978 176.000 -0.073 0.000 1.049 557 Q CA -0.848 54.949 55.803 -0.011 0.000 0.825 557 Q CB 1.734 30.512 28.738 0.067 0.000 1.401 557 Q HN 0.661 nan 8.270 nan 0.000 0.404 558 H N 0.656 119.777 119.070 0.085 0.000 2.500 558 H HA 0.359 4.915 4.556 0.000 0.000 0.351 558 H C -0.360 175.039 175.328 0.120 0.000 1.281 558 H CA -0.462 55.636 56.048 0.083 0.000 1.368 558 H CB 0.900 30.698 29.762 0.060 0.000 1.616 558 H HN 0.402 nan 8.280 nan 0.000 0.591 559 L N 1.209 122.582 121.223 0.250 0.000 2.268 559 L HA 0.396 4.736 4.340 0.000 0.000 0.289 559 L C -2.358 174.631 176.870 0.199 0.000 1.064 559 L CA -1.744 53.221 54.840 0.208 0.000 0.824 559 L CB -0.084 41.997 42.059 0.037 0.000 1.202 559 L HN 0.233 nan 8.230 nan 0.000 0.433 560 P HA 0.529 nan 4.420 nan 0.000 0.292 560 P C -0.338 177.076 177.300 0.190 0.000 1.283 560 P CA -0.328 62.875 63.100 0.171 0.000 0.835 560 P CB 1.772 33.556 31.700 0.138 0.000 1.017 561 A N 2.385 125.279 122.820 0.124 0.000 1.597 561 A HA 0.003 4.324 4.320 0.000 0.000 0.206 561 A C 0.753 178.417 177.584 0.134 0.000 1.281 561 A CA 0.736 52.837 52.037 0.107 0.000 0.662 561 A CB -2.664 16.390 19.000 0.089 0.000 1.153 561 A HN 1.096 nan 8.150 nan 0.000 0.200 562 T N -0.021 114.587 114.554 0.090 0.000 4.290 562 T HA -0.171 4.179 4.350 0.000 0.000 0.334 562 T C 0.287 175.011 174.700 0.040 0.000 0.761 562 T CA 2.123 64.253 62.100 0.050 0.000 1.950 562 T CB -1.897 66.996 68.868 0.041 0.000 1.898 562 T HN 2.237 nan 8.240 nan 0.000 0.906 563 D N -0.067 120.358 120.400 0.042 0.000 2.153 563 D HA 0.028 4.668 4.640 0.000 0.000 0.388 563 D C 0.120 176.437 176.300 0.028 0.000 1.014 563 D CA 0.416 54.435 54.000 0.032 0.000 0.906 563 D CB -1.088 39.733 40.800 0.034 0.000 1.552 563 D HN 0.735 nan 8.370 nan 0.000 0.522 564 N N 1.638 120.358 118.700 0.034 0.000 2.614 564 N HA -0.148 4.593 4.740 0.000 0.000 0.276 564 N C -2.185 173.341 175.510 0.026 0.000 1.119 564 N CA 0.723 53.791 53.050 0.030 0.000 0.742 564 N CB -1.721 36.779 38.487 0.023 0.000 0.900 564 N HN 0.247 nan 8.380 nan 0.000 0.549 565 P HA 0.161 nan 4.420 nan 0.000 0.248 565 P C -0.020 177.293 177.300 0.022 0.000 1.708 565 P CA 0.385 63.499 63.100 0.023 0.000 1.062 565 P CB 0.065 31.779 31.700 0.024 0.000 1.562 566 S N -2.589 113.125 115.700 0.023 0.000 3.358 566 S HA -0.143 4.327 4.470 0.000 0.000 0.309 566 S C 0.132 174.747 174.600 0.025 0.000 1.247 566 S CA 0.875 59.089 58.200 0.022 0.000 0.961 566 S CB -2.874 60.336 63.200 0.018 0.000 1.074 566 S HN 0.116 nan 8.310 nan 0.000 0.625 567 V N 1.021 120.953 119.914 0.029 0.000 2.409 567 V HA 0.517 4.637 4.120 0.000 0.000 0.291 567 V C 0.701 176.820 176.094 0.041 0.000 1.020 567 V CA -0.490 61.828 62.300 0.030 0.000 0.848 567 V CB 1.362 33.200 31.823 0.025 0.000 0.990 567 V HN 0.623 nan 8.190 nan 0.000 0.430 568 C N 6.578 125.904 119.300 0.044 0.000 2.227 568 C HA 0.381 4.841 4.460 0.000 0.000 0.333 568 C C 1.752 176.773 174.990 0.053 0.000 1.145 568 C CA -0.123 58.931 59.018 0.061 0.000 1.643 568 C CB -0.620 27.155 27.740 0.059 0.000 2.185 568 C HN 0.856 nan 8.230 nan 0.000 0.497 569 V N 3.489 123.433 119.914 0.050 0.000 2.488 569 V HA -0.041 4.080 4.120 0.000 0.000 0.246 569 V C 1.374 177.399 176.094 -0.115 0.000 1.046 569 V CA 1.369 63.642 62.300 -0.044 0.000 1.053 569 V CB -1.147 30.610 31.823 -0.110 0.000 0.679 569 V HN 0.829 nan 8.190 nan 0.000 0.458 570 Y N -0.158 120.173 120.300 0.052 0.000 2.461 570 Y HA 0.387 4.937 4.550 0.000 0.000 0.277 570 Y C 1.587 177.473 175.900 -0.023 0.000 1.182 570 Y CA -0.717 57.377 58.100 -0.010 0.000 1.276 570 Y CB -0.416 38.026 38.460 -0.029 0.000 1.087 570 Y HN 0.235 nan 8.280 nan 0.000 0.519 571 C N 1.845 121.209 119.300 0.107 0.000 2.637 571 C HA -0.029 4.432 4.460 0.000 0.000 0.418 571 C C 0.954 175.976 174.990 0.054 0.000 1.319 571 C CA -0.185 58.878 59.018 0.074 0.000 1.949 571 C CB -0.300 27.477 27.740 0.062 0.000 2.639 571 C HN 0.725 nan 8.230 nan 0.000 0.594 572 D N 0.136 120.564 120.400 0.047 0.000 2.946 572 D HA -0.165 4.475 4.640 0.000 0.000 0.202 572 D C 0.076 176.395 176.300 0.033 0.000 1.068 572 D CA 0.825 54.849 54.000 0.040 0.000 1.011 572 D CB -1.315 39.512 40.800 0.046 0.000 1.105 572 D HN 0.618 nan 8.370 nan 0.000 0.425 573 C N 0.882 120.183 119.300 0.001 0.000 2.534 573 C HA 0.488 4.948 4.460 0.000 0.000 0.385 573 C C 0.945 175.924 174.990 -0.018 0.000 1.264 573 C CA -0.611 58.362 59.018 -0.075 0.000 2.342 573 C CB 1.429 29.046 27.740 -0.206 0.000 2.564 573 C HN 0.062 nan 8.230 nan 0.000 0.603 574 V N 3.198 123.085 119.914 -0.046 0.000 2.384 574 V HA 0.261 4.382 4.120 0.000 0.000 0.287 574 V C -0.307 175.788 176.094 0.003 0.000 1.020 574 V CA -0.332 61.967 62.300 -0.000 0.000 0.850 574 V CB 0.928 32.746 31.823 -0.009 0.000 0.987 574 V HN 0.709 nan 8.190 nan 0.000 0.436 575 F N 6.364 126.279 119.950 -0.058 0.000 2.445 575 F HA 0.588 5.116 4.527 0.000 0.000 0.359 575 F C -0.150 175.638 175.800 -0.020 0.000 1.101 575 F CA -0.086 57.883 58.000 -0.053 0.000 1.177 575 F CB 0.907 39.876 39.000 -0.052 0.000 1.110 575 F HN 0.269 nan 8.300 nan 0.000 0.522 576 V N 7.371 126.939 119.914 -0.576 0.000 2.495 576 V HA 0.510 4.631 4.120 0.000 0.000 0.298 576 V C -0.351 175.430 176.094 -0.521 0.000 1.031 576 V CA -0.896 61.181 62.300 -0.372 0.000 0.871 576 V CB 1.866 33.622 31.823 -0.112 0.000 0.988 576 V HN 0.651 nan 8.190 nan 0.000 0.432 577 R N 3.647 123.945 120.500 -0.336 0.000 2.393 577 R HA 0.658 4.998 4.340 0.000 0.000 0.310 577 R C -1.327 174.910 176.300 -0.104 0.000 0.968 577 R CA -0.532 55.418 56.100 -0.250 0.000 0.867 577 R CB 1.708 31.913 30.300 -0.159 0.000 1.124 577 R HN 0.809 nan 8.270 nan 0.000 0.450 578 Y N -0.877 119.306 120.300 -0.195 0.000 2.545 578 Y HA 0.660 5.210 4.550 0.000 0.000 0.348 578 Y C -0.464 175.367 175.900 -0.116 0.000 1.002 578 Y CA -1.304 56.693 58.100 -0.170 0.000 1.039 578 Y CB 1.358 39.711 38.460 -0.178 0.000 1.271 578 Y HN 0.554 nan 8.280 nan 0.000 0.467 579 S N 0.141 115.851 115.700 0.016 0.000 2.687 579 S HA 0.310 4.780 4.470 0.000 0.000 0.283 579 S C 0.768 175.400 174.600 0.054 0.000 1.170 579 S CA -0.174 58.004 58.200 -0.035 0.000 1.008 579 S CB 1.218 64.396 63.200 -0.037 0.000 1.026 579 S HN 1.043 nan 8.310 nan 0.000 0.541 580 S N 0.518 116.225 115.700 0.011 0.000 2.442 580 S HA -0.039 4.432 4.470 0.000 0.000 0.236 580 S C 1.737 176.363 174.600 0.043 0.000 1.007 580 S CA 0.535 58.760 58.200 0.041 0.000 0.965 580 S CB -0.949 62.259 63.200 0.013 0.000 0.773 580 S HN 1.082 nan 8.310 nan 0.000 0.504 581 A N 1.244 124.079 122.820 0.026 0.000 2.168 581 A HA 0.492 4.812 4.320 0.000 0.000 0.215 581 A C 1.748 179.346 177.584 0.023 0.000 1.152 581 A CA 0.628 52.675 52.037 0.018 0.000 0.716 581 A CB -1.129 17.872 19.000 0.003 0.000 0.794 581 A HN 1.540 nan 8.150 nan 0.000 0.465 582 G N -0.463 108.364 108.800 0.044 0.000 2.165 582 G HA2 -0.143 3.817 3.960 0.000 0.000 0.226 582 G HA3 -0.143 3.817 3.960 0.000 0.000 0.226 582 G C 0.172 175.069 174.900 -0.004 0.000 1.035 582 G CA 0.389 45.508 45.100 0.032 0.000 0.744 582 G HN 1.414 nan 8.290 nan 0.000 0.501 583 T N -1.267 113.284 114.554 -0.005 0.000 2.797 583 T HA 0.694 5.044 4.350 0.000 0.000 0.279 583 T C 0.215 174.871 174.700 -0.073 0.000 0.991 583 T CA -0.913 61.159 62.100 -0.046 0.000 0.979 583 T CB 2.102 70.947 68.868 -0.038 0.000 0.943 583 T HN 0.444 nan 8.240 nan 0.000 0.444 584 I N 4.043 124.515 120.570 -0.163 0.000 2.406 584 I HA 0.123 4.293 4.170 0.000 0.000 0.293 584 I C 1.344 177.375 176.117 -0.143 0.000 1.101 584 I CA -0.164 60.994 61.300 -0.237 0.000 1.334 584 I CB 0.129 37.832 38.000 -0.496 0.000 1.421 584 I HN 0.658 nan 8.210 nan 0.000 0.513 585 L N 4.632 125.791 121.223 -0.108 0.000 2.049 585 L HA 0.133 4.474 4.340 0.000 0.000 0.203 585 L C 0.760 177.593 176.870 -0.062 0.000 1.074 585 L CA 1.162 55.952 54.840 -0.085 0.000 0.749 585 L CB -0.178 41.821 42.059 -0.100 0.000 0.907 585 L HN 0.593 nan 8.230 nan 0.000 0.439 586 E N -1.632 118.531 120.200 -0.062 0.000 2.408 586 E HA 0.360 4.710 4.350 0.000 0.000 0.275 586 E C -1.180 175.407 176.600 -0.022 0.000 0.935 586 E CA -0.363 56.032 56.400 -0.008 0.000 0.775 586 E CB 2.621 32.351 29.700 0.050 0.000 1.277 586 E HN -0.266 nan 8.360 nan 0.000 0.455 587 T N 1.242 115.818 114.554 0.037 0.000 3.160 587 T HA 0.234 4.584 4.350 0.000 0.000 0.344 587 T C -1.367 173.409 174.700 0.127 0.000 0.981 587 T CA -0.340 61.787 62.100 0.046 0.000 1.170 587 T CB 0.411 69.290 68.868 0.019 0.000 1.016 587 T HN 0.115 nan 8.240 nan 0.000 0.492 588 V N 5.147 125.177 119.914 0.193 0.000 2.318 588 V HA 0.418 4.539 4.120 0.000 0.000 0.271 588 V C 0.295 176.520 176.094 0.218 0.000 1.030 588 V CA -0.898 61.557 62.300 0.258 0.000 0.844 588 V CB 0.917 32.909 31.823 0.282 0.000 1.015 588 V HN 0.682 nan 8.190 nan 0.000 0.460 589 L N 7.097 128.439 121.223 0.198 0.000 2.418 589 L HA 0.385 4.726 4.340 0.000 0.000 0.274 589 L C -0.040 176.934 176.870 0.173 0.000 1.135 589 L CA 0.575 55.475 54.840 0.101 0.000 0.870 589 L CB 0.363 42.366 42.059 -0.093 0.000 1.154 589 L HN 0.537 nan 8.230 nan 0.000 0.462 590 I N 5.666 126.302 120.570 0.109 0.000 2.278 590 I HA 0.110 4.281 4.170 0.000 0.000 0.296 590 I C 0.910 177.080 176.117 0.088 0.000 1.121 590 I CA 0.253 61.609 61.300 0.095 0.000 1.267 590 I CB 0.438 38.478 38.000 0.068 0.000 1.447 590 I HN 0.788 nan 8.210 nan 0.000 0.509 591 E N 3.254 123.521 120.200 0.112 0.000 2.364 591 E HA 0.103 4.453 4.350 0.000 0.000 0.196 591 E C 0.441 177.083 176.600 0.071 0.000 0.990 591 E CA -0.119 56.335 56.400 0.090 0.000 0.886 591 E CB 0.357 30.130 29.700 0.122 0.000 0.866 591 E HN 0.514 nan 8.360 nan 0.000 0.493 592 S N -0.782 114.958 115.700 0.066 0.000 2.627 592 S HA 0.399 4.869 4.470 0.000 0.000 0.283 592 S C 0.306 174.930 174.600 0.041 0.000 1.127 592 S CA -1.034 57.194 58.200 0.048 0.000 0.863 592 S CB 1.962 65.186 63.200 0.040 0.000 1.121 592 S HN -0.003 nan 8.310 nan 0.000 0.479 593 K N 0.631 121.052 120.400 0.035 0.000 2.147 593 K HA -0.100 4.220 4.320 0.000 0.000 0.205 593 K C 1.090 177.700 176.600 0.017 0.000 1.049 593 K CA 1.754 58.061 56.287 0.033 0.000 0.936 593 K CB -0.327 32.191 32.500 0.030 0.000 0.722 593 K HN 0.614 nan 8.250 nan 0.000 0.446 594 D N 0.952 121.358 120.400 0.010 0.000 2.116 594 D HA -0.217 4.423 4.640 0.000 0.000 0.193 594 D C 1.940 178.229 176.300 -0.019 0.000 0.998 594 D CA 1.386 55.383 54.000 -0.005 0.000 0.836 594 D CB -0.095 40.702 40.800 -0.006 0.000 0.951 594 D HN 0.257 nan 8.370 nan 0.000 0.449 595 M N 0.562 120.154 119.600 -0.014 0.000 2.132 595 M HA -0.125 4.355 4.480 0.000 0.000 0.263 595 M C 2.343 178.612 176.300 -0.051 0.000 1.065 595 M CA 1.043 56.324 55.300 -0.033 0.000 1.122 595 M CB -0.285 32.313 32.600 -0.004 0.000 1.365 595 M HN -0.012 nan 8.290 nan 0.000 0.411 596 E N 0.675 120.865 120.200 -0.018 0.000 2.085 596 E HA -0.228 4.122 4.350 0.000 0.000 0.194 596 E C 1.713 178.287 176.600 -0.043 0.000 0.994 596 E CA 1.376 57.766 56.400 -0.017 0.000 0.801 596 E CB 0.093 29.830 29.700 0.061 0.000 0.743 596 E HN 0.510 nan 8.360 nan 0.000 0.453 597 E N -0.146 120.038 120.200 -0.027 0.000 2.051 597 E HA -0.211 4.139 4.350 0.000 0.000 0.192 597 E C 2.257 178.821 176.600 -0.061 0.000 0.991 597 E CA 1.005 57.385 56.400 -0.033 0.000 0.799 597 E CB 0.008 29.697 29.700 -0.020 0.000 0.748 597 E HN 0.255 nan 8.360 nan 0.000 0.449 598 Q N 0.369 120.124 119.800 -0.075 0.000 2.170 598 Q HA -0.144 4.196 4.340 0.000 0.000 0.203 598 Q C 2.314 178.227 176.000 -0.144 0.000 0.976 598 Q CA 0.677 56.422 55.803 -0.097 0.000 0.858 598 Q CB -0.338 28.343 28.738 -0.096 0.000 0.907 598 Q HN 0.254 nan 8.270 nan 0.000 0.433 599 L N -0.279 120.834 121.223 -0.183 0.000 2.083 599 L HA -0.158 4.182 4.340 0.000 0.000 0.209 599 L C 2.019 178.761 176.870 -0.214 0.000 1.083 599 L CA 1.461 56.138 54.840 -0.271 0.000 0.752 599 L CB -0.177 41.692 42.059 -0.315 0.000 0.899 599 L HN 0.097 nan 8.230 nan 0.000 0.433 600 M N -0.371 119.141 119.600 -0.147 0.000 2.288 600 M HA 0.153 4.633 4.480 0.000 0.000 0.266 600 M C 1.247 177.502 176.300 -0.075 0.000 1.072 600 M CA 0.912 56.154 55.300 -0.097 0.000 1.132 600 M CB -0.664 31.900 32.600 -0.059 0.000 1.386 600 M HN 0.298 nan 8.290 nan 0.000 0.432 601 A N -0.431 122.343 122.820 -0.077 0.000 2.346 601 A HA 0.565 4.886 4.320 0.000 0.000 0.255 601 A C 0.786 178.330 177.584 -0.066 0.000 1.113 601 A CA 0.026 52.026 52.037 -0.062 0.000 0.798 601 A CB -0.569 18.395 19.000 -0.059 0.000 1.073 601 A HN 0.418 nan 8.150 nan 0.000 0.502 609 S N -0.628 115.036 115.700 -0.060 0.000 1.797 609 S HA -0.437 4.033 4.470 0.000 0.000 0.222 609 S C 1.804 176.404 174.600 0.001 0.000 0.922 609 S CA 2.614 60.797 58.200 -0.029 0.000 1.575 609 S CB -2.328 60.866 63.200 -0.010 0.000 2.104 609 S HN 0.824 nan 8.310 nan 0.000 0.544 610 F N 3.813 123.764 119.950 0.001 0.000 2.051 610 F HA 0.039 4.566 4.527 0.000 0.000 0.296 610 F C 2.669 178.474 175.800 0.009 0.000 1.122 610 F CA 2.275 60.308 58.000 0.056 0.000 1.201 610 F CB -2.002 37.039 39.000 0.069 0.000 0.978 610 F HN 0.816 nan 8.300 nan 0.000 0.472 611 N N 0.589 119.139 118.700 -0.251 0.000 2.300 611 N HA 0.095 4.835 4.740 0.000 0.000 0.179 611 N C -2.180 173.130 175.510 -0.334 0.000 1.016 611 N CA 0.435 53.094 53.050 -0.651 0.000 0.876 611 N CB -2.154 35.669 38.487 -1.107 0.000 0.979 611 N HN 0.440 nan 8.380 nan 0.000 0.432 612 P HA 0.071 nan 4.420 nan 0.000 0.275 612 P C -0.111 177.158 177.300 -0.050 0.000 1.228 612 P CA 0.010 63.045 63.100 -0.108 0.000 0.786 612 P CB 0.769 32.413 31.700 -0.094 0.000 0.927 613 T N 1.925 116.458 114.554 -0.036 0.000 2.916 613 T HA 0.183 4.534 4.350 0.000 0.000 0.303 613 T C 0.505 175.157 174.700 -0.081 0.000 1.025 613 T CA 0.546 62.633 62.100 -0.020 0.000 1.142 613 T CB -0.314 68.551 68.868 -0.005 0.000 0.947 613 T HN 0.342 nan 8.240 nan 0.000 0.544 614 L N 3.846 124.978 121.223 -0.151 0.000 3.927 614 L HA 0.320 4.660 4.340 0.000 0.000 0.388 614 L C -0.191 176.377 176.870 -0.504 0.000 1.022 614 L CA -0.007 54.619 54.840 -0.356 0.000 1.497 614 L CB 0.452 42.208 42.059 -0.504 0.000 2.031 614 L HN 0.673 nan 8.230 nan 0.000 0.625 615 H N -0.709 118.356 119.070 -0.008 0.000 2.621 615 H HA 0.669 5.225 4.556 0.000 0.000 0.360 615 H C 0.089 175.407 175.328 -0.018 0.000 1.163 615 H CA -0.218 55.823 56.048 -0.013 0.000 1.194 615 H CB 1.440 31.193 29.762 -0.014 0.000 1.649 615 H HN 0.156 nan 8.280 nan 0.000 0.532 616 G N -0.304 108.558 108.800 0.102 0.000 2.525 616 G HA2 0.217 4.177 3.960 0.000 0.000 0.276 616 G HA3 0.217 4.177 3.960 0.000 0.000 0.276 616 G C 0.638 175.550 174.900 0.020 0.000 1.388 616 G CA -0.091 45.033 45.100 0.040 0.000 1.050 616 G HN 0.627 nan 8.290 nan 0.000 0.520 617 G N -0.538 108.264 108.800 0.004 0.000 3.581 617 G HA2 0.331 4.292 3.960 0.000 0.000 0.255 617 G HA3 0.331 4.292 3.960 0.000 0.000 0.255 617 G C 0.468 175.355 174.900 -0.023 0.000 1.121 617 G CA 0.597 45.690 45.100 -0.011 0.000 1.739 617 G HN 0.633 nan 8.290 nan 0.000 0.646 618 D N -1.161 119.219 120.400 -0.033 0.000 2.480 618 D HA -0.013 4.627 4.640 0.000 0.000 0.243 618 D C 0.201 176.444 176.300 -0.095 0.000 1.120 618 D CA 0.026 53.998 54.000 -0.046 0.000 0.835 618 D CB 0.574 41.357 40.800 -0.028 0.000 1.204 618 D HN 0.078 nan 8.370 nan 0.000 0.513 619 V N 1.480 121.325 119.914 -0.114 0.000 2.394 619 V HA 0.311 4.431 4.120 0.000 0.000 0.282 619 V C 0.198 176.128 176.094 -0.273 0.000 1.031 619 V CA -0.595 61.587 62.300 -0.195 0.000 0.881 619 V CB 1.787 33.533 31.823 -0.127 0.000 0.982 619 V HN -0.024 nan 8.190 nan 0.000 0.451 620 K N 2.539 122.609 120.400 -0.549 0.000 2.139 620 K HA 0.893 5.213 4.320 0.000 0.000 0.243 620 K C -0.475 175.779 176.600 -0.577 0.000 0.983 620 K CA -0.600 55.326 56.287 -0.602 0.000 0.890 620 K CB 2.112 34.132 32.500 -0.800 0.000 1.090 620 K HN 0.782 nan 8.250 nan 0.000 0.445 621 A N 2.033 124.656 122.820 -0.328 0.000 2.414 621 A HA 0.662 4.982 4.320 0.000 0.000 0.306 621 A C -1.325 176.154 177.584 -0.175 0.000 1.054 621 A CA -0.752 51.097 52.037 -0.315 0.000 0.724 621 A CB 0.751 19.594 19.000 -0.261 0.000 1.267 621 A HN 0.569 nan 8.150 nan 0.000 0.418 622 L N 1.472 122.563 121.223 -0.221 0.000 2.354 622 L HA 0.662 5.002 4.340 0.000 0.000 0.269 622 L C -0.476 176.297 176.870 -0.162 0.000 1.005 622 L CA -0.749 54.024 54.840 -0.112 0.000 0.819 622 L CB 2.199 44.234 42.059 -0.040 0.000 1.311 622 L HN 0.735 nan 8.230 nan 0.000 0.423 623 M N 3.746 123.319 119.600 -0.045 0.000 2.101 623 M HA 0.467 4.947 4.480 0.000 0.000 0.340 623 M C -1.246 174.986 176.300 -0.114 0.000 1.057 623 M CA -0.213 55.053 55.300 -0.057 0.000 0.984 623 M CB 0.800 33.432 32.600 0.052 0.000 1.560 623 M HN 0.324 nan 8.290 nan 0.000 0.435 624 L N 5.892 126.966 121.223 -0.248 0.000 2.272 624 L HA 0.504 4.844 4.340 0.000 0.000 0.289 624 L C -0.882 175.899 176.870 -0.147 0.000 1.032 624 L CA -0.442 54.206 54.840 -0.319 0.000 0.810 624 L CB 0.562 42.149 42.059 -0.787 0.000 1.205 624 L HN 0.579 nan 8.230 nan 0.000 0.422 625 F N 2.964 122.989 119.950 0.125 0.000 2.403 625 F HA 0.374 4.901 4.527 0.001 0.000 0.326 625 F C -1.452 174.510 175.800 0.269 0.000 1.081 625 F CA -1.972 56.130 58.000 0.170 0.000 1.041 625 F CB 0.712 39.779 39.000 0.112 0.000 1.234 625 F HN 0.341 nan 8.300 nan 0.000 0.503 626 P HA 0.005 nan 4.420 nan 0.000 0.290 626 P C -0.807 176.594 177.300 0.167 0.000 1.584 626 P CA 0.762 63.992 63.100 0.217 0.000 0.813 626 P CB -0.330 31.453 31.700 0.138 0.000 1.775 627 N N -2.220 116.621 118.700 0.236 0.000 2.844 627 N HA 0.116 4.856 4.740 0.000 0.000 0.347 627 N C 0.470 176.107 175.510 0.211 0.000 0.787 627 N CA 0.436 53.568 53.050 0.137 0.000 1.609 627 N CB -0.239 38.291 38.487 0.072 0.000 0.995 627 N HN 0.022 nan 8.380 nan 0.000 1.595 628 G N -0.884 108.082 108.800 0.276 0.000 3.211 628 G HA2 0.637 4.598 3.960 0.000 0.000 0.262 628 G HA3 0.637 4.598 3.960 0.000 0.000 0.262 628 G C -1.544 173.545 174.900 0.315 0.000 1.352 628 G CA -0.362 44.912 45.100 0.291 0.000 1.004 628 G HN 0.254 nan 8.290 nan 0.000 0.559 629 T N 0.137 114.729 114.554 0.063 0.000 2.848 629 T HA 0.568 4.919 4.350 0.000 0.000 0.285 629 T C -0.365 174.273 174.700 -0.102 0.000 0.995 629 T CA -0.374 61.652 62.100 -0.123 0.000 0.970 629 T CB 1.349 69.868 68.868 -0.582 0.000 0.976 629 T HN 1.121 nan 8.240 nan 0.000 0.441 630 V N 0.859 120.804 119.914 0.053 0.000 2.680 630 V HA 0.850 4.970 4.120 0.000 0.000 0.309 630 V C -0.147 175.962 176.094 0.027 0.000 1.052 630 V CA -1.020 61.316 62.300 0.060 0.000 0.908 630 V CB 1.764 33.687 31.823 0.167 0.000 1.001 630 V HN 0.668 nan 8.190 nan 0.000 0.431 631 V N 4.074 123.994 119.914 0.009 0.000 2.385 631 V HA 0.431 4.551 4.120 0.000 0.000 0.269 631 V C -0.165 175.926 176.094 -0.005 0.000 1.043 631 V CA -0.038 62.268 62.300 0.010 0.000 0.906 631 V CB 0.686 32.526 31.823 0.028 0.000 0.995 631 V HN 1.049 nan 8.190 nan 0.000 0.467 632 D N 6.118 126.516 120.400 -0.004 0.000 2.255 632 D HA 0.354 4.994 4.640 0.000 0.000 0.249 632 D C 0.009 176.281 176.300 -0.047 0.000 1.078 632 D CA -0.026 53.965 54.000 -0.014 0.000 0.896 632 D CB 2.168 43.006 40.800 0.064 0.000 1.194 632 D HN 0.383 nan 8.370 nan 0.000 0.429 633 L N 0.000 121.170 121.223 -0.089 0.000 2.949 633 L HA 0.000 4.340 4.340 0.000 0.000 0.249 633 L CA 0.000 54.709 54.840 -0.217 0.000 0.813 633 L CB 0.000 42.014 42.059 -0.075 0.000 0.961 633 L HN 0.000 nan 8.230 nan 0.000 0.502