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 2gf7_1_C DATA FIRST_RESID 897 DATA SEQUENCE QSITAGQKVI SKHKNGRFYQ CEVVRLTTET FYEVNFDDGS FSDNLYPEDI DATA SEQUENCE VSQDCLQFGP PAEGEVVQVR WTDGQVYGAK FVASHPIQMY QVEFEDGSQL DATA SEQUENCE VVKRDDVYTL DEELP 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 897 Q HA 0.000 nan 4.340 nan 0.000 0.214 897 Q C 0.000 175.986 176.000 -0.023 0.000 1.003 897 Q CA 0.000 55.788 55.803 -0.025 0.000 1.022 897 Q CB 0.000 28.732 28.738 -0.010 0.000 1.108 898 S N 2.312 118.012 115.700 -0.000 0.000 2.533 898 S HA 0.339 4.812 4.470 0.006 0.000 0.282 898 S C 0.098 174.706 174.600 0.014 0.000 1.304 898 S CA -0.172 58.041 58.200 0.022 0.000 1.063 898 S CB -0.030 63.190 63.200 0.033 0.000 0.881 898 S HN 0.198 nan 8.310 nan 0.000 0.493 899 I N 5.017 125.608 120.570 0.035 0.000 2.377 899 I HA 0.377 4.550 4.170 0.006 0.000 0.293 899 I C 0.682 176.881 176.117 0.137 0.000 0.987 899 I CA -0.275 61.037 61.300 0.020 0.000 1.185 899 I CB 1.283 39.178 38.000 -0.175 0.000 1.341 899 I HN 0.805 nan 8.210 nan 0.000 0.455 900 T N 1.955 116.565 114.554 0.093 0.000 2.916 900 T HA 0.807 5.160 4.350 0.006 0.000 0.292 900 T C -0.021 174.729 174.700 0.084 0.000 1.055 900 T CA -0.891 61.266 62.100 0.095 0.000 1.009 900 T CB 1.991 70.892 68.868 0.055 0.000 1.118 900 T HN 0.657 nan 8.240 nan 0.000 0.497 901 A N 0.168 123.030 122.820 0.069 0.000 2.520 901 A HA 0.539 4.862 4.320 0.006 0.000 0.235 901 A C 1.682 179.286 177.584 0.033 0.000 1.065 901 A CA 0.428 52.495 52.037 0.049 0.000 0.764 901 A CB -1.289 17.729 19.000 0.029 0.000 1.002 901 A HN 2.434 nan 8.150 nan 0.000 0.502 902 G N -0.017 108.797 108.800 0.024 0.000 2.205 902 G HA2 -0.280 3.684 3.960 0.006 0.000 0.261 902 G HA3 -0.280 3.684 3.960 0.006 0.000 0.261 902 G C 0.423 175.331 174.900 0.014 0.000 0.980 902 G CA 0.703 45.812 45.100 0.015 0.000 0.632 902 G HN 1.208 nan 8.290 nan 0.000 0.533 903 Q N 0.940 120.752 119.800 0.019 0.000 2.286 903 Q HA 0.455 4.799 4.340 0.006 0.000 0.257 903 Q C 0.014 176.017 176.000 0.005 0.000 0.941 903 Q CA -0.530 55.281 55.803 0.013 0.000 0.912 903 Q CB 0.425 29.174 28.738 0.017 0.000 1.192 903 Q HN 0.098 nan 8.270 nan 0.000 0.410 904 K N 3.173 123.576 120.400 0.005 0.000 2.322 904 K HA 0.238 4.561 4.320 0.006 0.000 0.283 904 K C -0.226 176.380 176.600 0.009 0.000 1.042 904 K CA -0.027 56.262 56.287 0.004 0.000 0.958 904 K CB 0.868 33.375 32.500 0.012 0.000 0.984 904 K HN 0.555 nan 8.250 nan 0.000 0.473 905 V N -0.098 119.821 119.914 0.008 0.000 3.105 905 V HA 0.627 4.750 4.120 0.006 0.000 0.311 905 V C -0.377 175.762 176.094 0.074 0.000 1.287 905 V CA -1.206 61.113 62.300 0.032 0.000 1.066 905 V CB 1.821 33.651 31.823 0.011 0.000 1.105 905 V HN 0.553 nan 8.190 nan 0.000 0.462 906 I N 1.275 121.930 120.570 0.142 0.000 2.436 906 I HA 0.760 4.933 4.170 0.006 0.000 0.289 906 I C -0.179 176.171 176.117 0.388 0.000 1.010 906 I CA -0.063 61.372 61.300 0.225 0.000 1.098 906 I CB 1.760 39.840 38.000 0.133 0.000 1.266 906 I HN 0.846 nan 8.210 nan 0.000 0.434 907 S N 4.607 120.595 115.700 0.480 0.000 2.625 907 S HA 0.451 4.924 4.470 0.006 0.000 0.271 907 S C -1.159 173.749 174.600 0.512 0.000 1.161 907 S CA -0.856 57.664 58.200 0.534 0.000 0.820 907 S CB 1.766 65.167 63.200 0.334 0.000 1.137 907 S HN 0.457 nan 8.310 nan 0.000 0.470 908 K N 2.139 122.634 120.400 0.158 0.000 2.349 908 K HA 0.164 4.487 4.320 0.006 0.000 0.288 908 K C -0.140 176.529 176.600 0.115 0.000 1.058 908 K CA -0.160 56.081 56.287 -0.078 0.000 0.953 908 K CB 0.266 32.541 32.500 -0.374 0.000 0.997 908 K HN 0.615 nan 8.250 nan 0.000 0.477 909 H N 2.305 121.273 119.070 -0.169 0.000 2.730 909 H HA -0.033 4.526 4.556 0.006 0.000 0.376 909 H C 1.287 176.386 175.328 -0.383 0.000 1.299 909 H CA 0.546 56.109 56.048 -0.808 0.000 1.447 909 H CB 0.984 30.241 29.762 -0.842 0.000 1.493 909 H HN 0.557 nan 8.280 nan 0.000 0.619 910 K N 1.421 121.287 120.400 -0.890 0.000 2.280 910 K HA -0.199 4.124 4.320 0.006 0.000 0.202 910 K C 0.937 177.460 176.600 -0.129 0.000 1.047 910 K CA 1.818 57.860 56.287 -0.409 0.000 0.942 910 K CB -0.422 31.816 32.500 -0.438 0.000 0.739 910 K HN 0.806 nan 8.250 nan 0.000 0.457 911 N N -0.054 118.727 118.700 0.135 0.000 2.521 911 N HA -0.005 4.739 4.740 0.006 0.000 0.188 911 N C 1.003 176.546 175.510 0.056 0.000 1.146 911 N CA 0.307 53.434 53.050 0.128 0.000 0.893 911 N CB 0.239 38.821 38.487 0.158 0.000 0.975 911 N HN 0.371 nan 8.380 nan 0.000 0.451 912 G N 0.426 109.234 108.800 0.013 0.000 2.195 912 G HA2 -0.268 3.696 3.960 0.006 0.000 0.246 912 G HA3 -0.268 3.696 3.960 0.006 0.000 0.246 912 G C 0.048 174.903 174.900 -0.074 0.000 0.984 912 G CA -0.187 44.888 45.100 -0.041 0.000 0.633 912 G HN 0.389 nan 8.290 nan 0.000 0.525 913 R N -0.822 119.686 120.500 0.013 0.000 2.758 913 R HA 0.671 5.014 4.340 0.006 0.000 0.265 913 R C -0.533 175.752 176.300 -0.025 0.000 1.016 913 R CA -0.845 55.234 56.100 -0.035 0.000 1.040 913 R CB 0.842 31.123 30.300 -0.032 0.000 1.152 913 R HN 0.057 nan 8.270 nan 0.000 0.503 914 F N 1.227 121.138 119.950 -0.064 0.000 2.412 914 F HA 0.280 4.811 4.527 0.006 0.000 0.348 914 F C -0.141 175.580 175.800 -0.132 0.000 1.102 914 F CA 0.358 58.359 58.000 0.001 0.000 1.196 914 F CB 0.538 39.483 39.000 -0.090 0.000 1.144 914 F HN 0.286 nan 8.300 nan 0.000 0.541 915 Y N 0.253 120.785 120.300 0.387 0.000 2.615 915 Y HA 0.257 4.810 4.550 0.006 0.000 0.341 915 Y C -0.342 175.748 175.900 0.315 0.000 1.089 915 Y CA -1.279 57.010 58.100 0.314 0.000 1.049 915 Y CB 1.459 40.126 38.460 0.345 0.000 1.296 915 Y HN 0.421 nan 8.280 nan 0.000 0.470 916 Q N 1.762 121.787 119.800 0.375 0.000 2.352 916 Q HA 0.570 4.913 4.340 0.006 0.000 0.260 916 Q C -0.928 175.163 176.000 0.151 0.000 0.976 916 Q CA -0.206 55.722 55.803 0.208 0.000 0.881 916 Q CB 0.673 29.493 28.738 0.136 0.000 1.235 916 Q HN 0.838 nan 8.270 nan 0.000 0.419 917 C N 0.764 120.047 119.300 -0.028 0.000 3.323 917 C HA 0.739 5.202 4.460 0.006 0.000 0.324 917 C C -0.921 173.979 174.990 -0.150 0.000 1.428 917 C CA -1.039 57.825 59.018 -0.256 0.000 1.368 917 C CB 1.395 28.607 27.740 -0.881 0.000 1.731 917 C HN 1.015 nan 8.230 nan 0.000 0.455 918 E N 0.336 120.441 120.200 -0.159 0.000 2.210 918 E HA 0.589 4.943 4.350 0.006 0.000 0.266 918 E C -1.216 175.344 176.600 -0.067 0.000 0.883 918 E CA -0.504 55.851 56.400 -0.075 0.000 0.761 918 E CB 2.039 31.715 29.700 -0.040 0.000 1.156 918 E HN 0.622 nan 8.360 nan 0.000 0.412 919 V N 5.753 125.655 119.914 -0.019 0.000 2.446 919 V HA -0.017 4.107 4.120 0.006 0.000 0.276 919 V C 1.399 177.505 176.094 0.019 0.000 1.030 919 V CA 0.162 62.478 62.300 0.025 0.000 1.033 919 V CB 0.604 32.479 31.823 0.087 0.000 0.993 919 V HN 0.705 nan 8.190 nan 0.000 0.477 920 V N 3.122 123.042 119.914 0.011 0.000 2.878 920 V HA 0.266 4.390 4.120 0.006 0.000 0.250 920 V C 0.720 176.819 176.094 0.009 0.000 1.075 920 V CA 0.988 63.291 62.300 0.006 0.000 1.096 920 V CB -0.689 31.134 31.823 -0.001 0.000 0.724 920 V HN 0.992 nan 8.190 nan 0.000 0.467 921 R N -0.480 120.028 120.500 0.013 0.000 2.753 921 R HA 0.538 4.882 4.340 0.006 0.000 0.272 921 R C -1.847 174.436 176.300 -0.028 0.000 1.034 921 R CA -0.989 55.108 56.100 -0.004 0.000 0.869 921 R CB 0.758 31.048 30.300 -0.017 0.000 1.264 921 R HN 0.126 nan 8.270 nan 0.000 0.481 922 L N 2.483 123.665 121.223 -0.068 0.000 2.265 922 L HA 0.483 4.827 4.340 0.006 0.000 0.289 922 L C 0.183 176.958 176.870 -0.158 0.000 1.033 922 L CA -0.802 53.928 54.840 -0.183 0.000 0.814 922 L CB 1.512 43.462 42.059 -0.181 0.000 1.203 922 L HN 0.941 nan 8.230 nan 0.000 0.423 923 T N -0.915 113.531 114.554 -0.180 0.000 2.948 923 T HA 0.549 4.903 4.350 0.006 0.000 0.285 923 T C 0.039 174.661 174.700 -0.130 0.000 1.019 923 T CA -0.654 61.374 62.100 -0.121 0.000 1.013 923 T CB 1.926 70.745 68.868 -0.082 0.000 1.117 923 T HN 0.407 nan 8.240 nan 0.000 0.533 924 T N 2.218 116.714 114.554 -0.097 0.000 2.833 924 T HA 0.399 4.752 4.350 0.006 0.000 0.297 924 T C -0.751 173.884 174.700 -0.108 0.000 1.015 924 T CA -0.704 61.340 62.100 -0.092 0.000 0.963 924 T CB 0.954 69.778 68.868 -0.073 0.000 0.955 924 T HN 0.593 nan 8.240 nan 0.000 0.449 925 E N 2.586 122.711 120.200 -0.126 0.000 2.156 925 E HA 0.320 4.673 4.350 0.006 0.000 0.279 925 E C -0.479 175.880 176.600 -0.402 0.000 0.965 925 E CA -0.498 55.740 56.400 -0.271 0.000 0.789 925 E CB 1.664 31.210 29.700 -0.256 0.000 1.098 925 E HN 0.412 nan 8.360 nan 0.000 0.397 926 T N 3.813 118.092 114.554 -0.458 0.000 2.749 926 T HA 0.401 4.754 4.350 0.006 0.000 0.287 926 T C -0.369 173.988 174.700 -0.570 0.000 0.970 926 T CA -0.332 61.567 62.100 -0.336 0.000 0.980 926 T CB -0.035 68.752 68.868 -0.136 0.000 0.924 926 T HN 0.166 nan 8.240 nan 0.000 0.456 927 F N 1.978 121.857 119.950 -0.119 0.000 2.450 927 F HA 0.482 5.012 4.527 0.006 0.000 0.332 927 F C 0.165 176.152 175.800 0.311 0.000 1.093 927 F CA -1.081 56.872 58.000 -0.077 0.000 1.003 927 F CB 1.261 40.212 39.000 -0.082 0.000 1.151 927 F HN 0.503 nan 8.300 nan 0.000 0.474 928 Y N 1.146 121.601 120.300 0.259 0.000 2.360 928 Y HA 0.388 4.942 4.550 0.006 0.000 0.337 928 Y C -0.188 175.824 175.900 0.186 0.000 1.039 928 Y CA -1.083 57.201 58.100 0.307 0.000 1.109 928 Y CB 1.615 40.286 38.460 0.350 0.000 1.201 928 Y HN 0.499 nan 8.280 nan 0.000 0.458 929 E N 3.045 123.359 120.200 0.190 0.000 2.158 929 E HA 0.480 4.833 4.350 0.006 0.000 0.271 929 E C -1.212 175.329 176.600 -0.098 0.000 0.911 929 E CA -0.788 55.582 56.400 -0.049 0.000 0.767 929 E CB 2.408 32.114 29.700 0.011 0.000 1.120 929 E HN 0.428 nan 8.360 nan 0.000 0.405 930 V N 0.213 120.074 119.914 -0.089 0.000 3.114 930 V HA 0.588 4.711 4.120 0.006 0.000 0.308 930 V C -1.076 175.108 176.094 0.149 0.000 1.168 930 V CA -1.092 61.233 62.300 0.042 0.000 1.015 930 V CB 2.381 34.256 31.823 0.088 0.000 1.050 930 V HN 0.507 nan 8.190 nan 0.000 0.433 931 N N 1.843 120.663 118.700 0.199 0.000 2.446 931 N HA 0.578 5.321 4.740 0.006 0.000 0.265 931 N C -0.930 174.713 175.510 0.222 0.000 0.975 931 N CA -0.198 53.015 53.050 0.272 0.000 0.928 931 N CB 1.312 39.916 38.487 0.194 0.000 1.160 931 N HN 0.658 nan 8.380 nan 0.000 0.495 932 F N 0.904 120.828 119.950 -0.044 0.000 2.485 932 F HA 0.055 4.585 4.527 0.006 0.000 0.327 932 F C 2.040 177.834 175.800 -0.010 0.000 1.203 932 F CA -0.233 57.730 58.000 -0.061 0.000 1.295 932 F CB 0.563 39.459 39.000 -0.173 0.000 1.191 932 F HN 0.381 nan 8.300 nan 0.000 0.588 933 D N 0.382 120.870 120.400 0.146 0.000 2.221 933 D HA -0.164 4.480 4.640 0.006 0.000 0.204 933 D C 1.536 177.898 176.300 0.102 0.000 0.982 933 D CA 1.474 55.533 54.000 0.098 0.000 0.857 933 D CB -0.373 40.472 40.800 0.075 0.000 0.934 933 D HN 0.562 nan 8.370 nan 0.000 0.475 934 D N -0.871 119.608 120.400 0.132 0.000 2.349 934 D HA 0.044 4.688 4.640 0.006 0.000 0.224 934 D C 1.575 177.910 176.300 0.057 0.000 1.029 934 D CA 0.922 54.972 54.000 0.083 0.000 0.879 934 D CB -0.026 40.818 40.800 0.074 0.000 0.906 934 D HN 0.248 nan 8.370 nan 0.000 0.528 935 G N 0.156 109.003 108.800 0.079 0.000 2.213 935 G HA2 -0.287 3.677 3.960 0.006 0.000 0.236 935 G HA3 -0.287 3.677 3.960 0.006 0.000 0.236 935 G C 0.443 175.376 174.900 0.055 0.000 0.991 935 G CA 0.329 45.464 45.100 0.058 0.000 0.629 935 G HN 0.824 nan 8.290 nan 0.000 0.517 936 S N -0.051 115.657 115.700 0.012 0.000 2.579 936 S HA 0.621 5.094 4.470 0.006 0.000 0.275 936 S C -0.283 174.333 174.600 0.026 0.000 1.345 936 S CA -0.050 58.111 58.200 -0.066 0.000 1.031 936 S CB 1.696 64.723 63.200 -0.288 0.000 0.892 936 S HN 1.297 nan 8.310 nan 0.000 0.529 937 F N 1.310 121.167 119.950 -0.155 0.000 2.495 937 F HA 0.642 5.172 4.527 0.005 0.000 0.327 937 F C -0.094 175.635 175.800 -0.118 0.000 1.103 937 F CA -0.601 57.349 58.000 -0.083 0.000 0.949 937 F CB 2.042 41.010 39.000 -0.054 0.000 1.142 937 F HN 0.733 nan 8.300 nan 0.000 0.457 938 S N 3.447 118.699 115.700 -0.748 0.000 2.502 938 S HA 0.374 4.848 4.470 0.006 0.000 0.304 938 S C -0.283 173.811 174.600 -0.842 0.000 1.097 938 S CA -0.539 57.336 58.200 -0.542 0.000 1.045 938 S CB 0.966 64.075 63.200 -0.152 0.000 1.019 938 S HN 0.763 nan 8.310 nan 0.000 0.481 939 D N 2.488 122.599 120.400 -0.480 0.000 2.469 939 D HA 0.072 4.716 4.640 0.006 0.000 0.213 939 D C 0.057 176.325 176.300 -0.053 0.000 1.135 939 D CA -0.096 53.714 54.000 -0.317 0.000 0.834 939 D CB -0.234 40.485 40.800 -0.136 0.000 1.009 939 D HN 0.514 nan 8.370 nan 0.000 0.507 940 N N 0.800 119.511 118.700 0.018 0.000 2.610 940 N HA 0.175 4.918 4.740 0.006 0.000 0.307 940 N C -0.579 175.063 175.510 0.221 0.000 1.813 940 N CA -0.412 52.685 53.050 0.078 0.000 0.901 940 N CB -0.187 38.240 38.487 -0.099 0.000 1.354 940 N HN 0.088 nan 8.380 nan 0.000 0.491 941 L N 0.531 121.910 121.223 0.260 0.000 2.421 941 L HA 0.419 4.763 4.340 0.006 0.000 0.263 941 L C -0.362 176.533 176.870 0.042 0.000 1.122 941 L CA -0.831 54.178 54.840 0.282 0.000 0.804 941 L CB 0.539 42.826 42.059 0.381 0.000 1.150 941 L HN 0.142 nan 8.230 nan 0.000 0.457 942 Y N 1.268 121.578 120.300 0.016 0.000 2.419 942 Y HA 0.260 4.813 4.550 0.006 0.000 0.328 942 Y C -1.539 174.142 175.900 -0.365 0.000 1.162 942 Y CA -1.826 56.137 58.100 -0.228 0.000 1.174 942 Y CB 0.611 38.960 38.460 -0.184 0.000 1.228 942 Y HN 0.420 nan 8.280 nan 0.000 0.473 943 P HA -0.254 nan 4.420 nan 0.000 0.217 943 P C 1.126 178.361 177.300 -0.109 0.000 1.151 943 P CA 2.086 64.805 63.100 -0.634 0.000 0.849 943 P CB 0.261 31.657 31.700 -0.505 0.000 0.787 944 E N -0.812 119.360 120.200 -0.047 0.000 2.409 944 E HA -0.170 4.184 4.350 0.006 0.000 0.198 944 E C 0.766 177.401 176.600 0.058 0.000 1.024 944 E CA 1.034 57.440 56.400 0.010 0.000 0.861 944 E CB -0.916 28.772 29.700 -0.020 0.000 0.788 944 E HN 0.299 nan 8.360 nan 0.000 0.521 945 D N 0.872 121.333 120.400 0.101 0.000 2.347 945 D HA 0.027 4.671 4.640 0.006 0.000 0.215 945 D C 0.476 176.879 176.300 0.170 0.000 0.976 945 D CA 0.281 54.376 54.000 0.158 0.000 0.884 945 D CB 0.249 41.192 40.800 0.238 0.000 0.915 945 D HN 0.193 nan 8.370 nan 0.000 0.526 946 I N 2.188 122.857 120.570 0.164 0.000 2.379 946 I HA -0.039 4.134 4.170 0.006 0.000 0.290 946 I C 1.479 177.657 176.117 0.102 0.000 1.063 946 I CA 0.048 61.441 61.300 0.155 0.000 1.351 946 I CB 1.110 39.226 38.000 0.194 0.000 1.410 946 I HN -0.198 nan 8.210 nan 0.000 0.505 947 V N 2.758 122.721 119.914 0.082 0.000 3.578 947 V HA 0.103 4.226 4.120 0.006 0.000 0.290 947 V C 1.397 177.512 176.094 0.035 0.000 1.376 947 V CA 0.603 62.938 62.300 0.059 0.000 1.083 947 V CB -0.129 31.731 31.823 0.061 0.000 0.911 947 V HN 0.762 nan 8.190 nan 0.000 0.433 948 S N 0.298 116.015 115.700 0.027 0.000 2.535 948 S HA 0.286 4.760 4.470 0.006 0.000 0.214 948 S C 0.617 175.211 174.600 -0.009 0.000 0.980 948 S CA 0.119 58.322 58.200 0.005 0.000 0.907 948 S CB -0.270 62.928 63.200 -0.003 0.000 0.790 948 S HN 0.918 nan 8.310 nan 0.000 0.510 949 Q N -0.405 119.397 119.800 0.004 0.000 2.633 949 Q HA 0.436 4.779 4.340 0.006 0.000 0.289 949 Q C -2.239 173.788 176.000 0.045 0.000 0.940 949 Q CA -0.933 54.863 55.803 -0.012 0.000 0.785 949 Q CB 0.486 29.195 28.738 -0.047 0.000 1.467 949 Q HN -0.023 nan 8.270 nan 0.000 0.401 950 D N 0.592 121.040 120.400 0.081 0.000 2.494 950 D HA 0.255 4.899 4.640 0.006 0.000 0.217 950 D C 0.037 176.496 176.300 0.266 0.000 1.153 950 D CA -0.426 53.691 54.000 0.194 0.000 0.954 950 D CB 0.277 41.266 40.800 0.314 0.000 1.034 950 D HN 0.633 nan 8.370 nan 0.000 0.518 951 C N 2.729 122.133 119.300 0.174 0.000 2.467 951 C HA 0.009 4.472 4.460 0.006 0.000 0.279 951 C C 2.745 177.810 174.990 0.126 0.000 1.347 951 C CA -0.106 59.020 59.018 0.180 0.000 1.748 951 C CB -0.815 27.081 27.740 0.260 0.000 1.977 951 C HN 0.662 nan 8.230 nan 0.000 0.501 952 L N 0.565 121.830 121.223 0.069 0.000 2.127 952 L HA -0.216 4.128 4.340 0.006 0.000 0.211 952 L C 2.760 179.609 176.870 -0.034 0.000 1.089 952 L CA 1.395 56.238 54.840 0.005 0.000 0.757 952 L CB -0.501 41.550 42.059 -0.014 0.000 0.899 952 L HN 0.417 nan 8.230 nan 0.000 0.434 953 Q N -1.323 118.449 119.800 -0.045 0.000 2.259 953 Q HA 0.054 4.397 4.340 0.006 0.000 0.201 953 Q C 1.452 177.158 176.000 -0.490 0.000 0.938 953 Q CA 1.061 56.686 55.803 -0.297 0.000 0.872 953 Q CB 0.209 28.689 28.738 -0.430 0.000 0.971 953 Q HN 0.452 nan 8.270 nan 0.000 0.494 954 F N 0.024 119.974 119.950 0.000 0.000 2.654 954 F HA 0.446 4.975 4.527 0.003 0.000 0.303 954 F C 1.148 176.944 175.800 -0.007 0.000 1.099 954 F CA 0.198 58.195 58.000 -0.006 0.000 1.270 954 F CB 0.530 39.522 39.000 -0.013 0.000 1.024 954 F HN 0.045 nan 8.300 nan 0.000 0.548 955 G N 1.392 110.268 108.800 0.126 0.000 2.728 955 G HA2 -0.161 3.803 3.960 0.006 0.000 0.294 955 G HA3 -0.161 3.803 3.960 0.006 0.000 0.294 955 G C -2.910 172.037 174.900 0.078 0.000 1.342 955 G CA -1.164 43.995 45.100 0.098 0.000 0.866 955 G HN 0.011 nan 8.290 nan 0.000 0.534 956 P HA 0.334 nan 4.420 nan 0.000 0.274 956 P C -2.212 174.779 177.300 -0.515 0.000 1.231 956 P CA -0.899 61.966 63.100 -0.392 0.000 0.790 956 P CB 0.710 32.105 31.700 -0.509 0.000 0.951 957 P HA 0.100 nan 4.420 nan 0.000 0.273 957 P C -0.268 176.768 177.300 -0.439 0.000 1.250 957 P CA -0.185 62.595 63.100 -0.534 0.000 0.793 957 P CB 0.304 31.705 31.700 -0.498 0.000 1.011 958 A N 0.356 123.093 122.820 -0.139 0.000 2.407 958 A HA 0.095 4.418 4.320 0.006 0.000 0.248 958 A C 0.523 178.225 177.584 0.196 0.000 1.082 958 A CA -0.402 51.644 52.037 0.015 0.000 0.785 958 A CB -0.508 18.501 19.000 0.016 0.000 1.020 958 A HN 0.653 nan 8.150 nan 0.000 0.489 959 E N 0.733 121.080 120.200 0.246 0.000 2.480 959 E HA 0.290 4.643 4.350 0.006 0.000 0.258 959 E C 1.218 177.908 176.600 0.150 0.000 0.984 959 E CA 0.996 57.546 56.400 0.250 0.000 0.930 959 E CB -0.118 29.649 29.700 0.112 0.000 0.936 959 E HN 1.536 nan 8.360 nan 0.000 0.466 960 G N 3.558 112.439 108.800 0.134 0.000 2.199 960 G HA2 -0.371 3.592 3.960 0.006 0.000 0.254 960 G HA3 -0.371 3.592 3.960 0.006 0.000 0.254 960 G C 0.193 175.148 174.900 0.092 0.000 0.982 960 G CA 0.390 45.537 45.100 0.079 0.000 0.632 960 G HN 0.690 nan 8.290 nan 0.000 0.529 961 E N 0.523 120.801 120.200 0.129 0.000 2.392 961 E HA 0.393 4.746 4.350 0.006 0.000 0.264 961 E C 0.692 177.333 176.600 0.070 0.000 1.024 961 E CA -0.416 56.029 56.400 0.076 0.000 0.903 961 E CB 0.684 30.409 29.700 0.040 0.000 0.963 961 E HN 0.174 nan 8.360 nan 0.000 0.432 962 V N 5.214 125.147 119.914 0.032 0.000 2.637 962 V HA 0.203 4.327 4.120 0.006 0.000 0.296 962 V C 0.254 176.355 176.094 0.010 0.000 1.046 962 V CA 0.146 62.457 62.300 0.019 0.000 1.066 962 V CB 0.610 32.436 31.823 0.006 0.000 0.968 962 V HN 0.556 nan 8.190 nan 0.000 0.483 963 V N 2.915 122.832 119.914 0.005 0.000 3.206 963 V HA 0.731 4.855 4.120 0.006 0.000 0.305 963 V C -1.121 174.959 176.094 -0.023 0.000 1.257 963 V CA -1.070 61.230 62.300 -0.001 0.000 1.057 963 V CB 2.218 34.056 31.823 0.025 0.000 1.075 963 V HN 0.682 nan 8.190 nan 0.000 0.443 964 Q N 0.421 120.215 119.800 -0.010 0.000 2.342 964 Q HA 0.846 5.190 4.340 0.006 0.000 0.267 964 Q C -1.143 174.866 176.000 0.015 0.000 1.038 964 Q CA -0.510 55.286 55.803 -0.012 0.000 0.832 964 Q CB 2.349 31.089 28.738 0.004 0.000 1.323 964 Q HN 0.770 nan 8.270 nan 0.000 0.448 965 V N 2.170 122.093 119.914 0.015 0.000 2.735 965 V HA 0.544 4.667 4.120 0.006 0.000 0.310 965 V C -0.847 175.386 176.094 0.232 0.000 1.061 965 V CA -1.022 61.336 62.300 0.096 0.000 0.913 965 V CB 1.976 33.789 31.823 -0.017 0.000 1.005 965 V HN 0.757 nan 8.190 nan 0.000 0.428 966 R N 3.820 124.478 120.500 0.263 0.000 2.207 966 R HA 0.380 4.723 4.340 0.006 0.000 0.334 966 R C -0.455 176.118 176.300 0.455 0.000 1.013 966 R CA -0.412 55.871 56.100 0.305 0.000 0.858 966 R CB 1.308 31.719 30.300 0.186 0.000 1.094 966 R HN 0.825 nan 8.270 nan 0.000 0.457 967 W N 3.761 125.242 121.300 0.300 0.000 2.030 967 W HA 0.008 4.672 4.660 0.005 0.000 0.371 967 W C 0.918 177.543 176.519 0.177 0.000 1.456 967 W CA -0.137 57.363 57.345 0.258 0.000 1.570 967 W CB 1.382 31.006 29.460 0.274 0.000 1.249 967 W HN 0.796 nan 8.180 nan 0.000 0.677 968 T N -1.516 112.609 114.554 -0.715 0.000 3.025 968 T HA -0.248 4.106 4.350 0.006 0.000 0.270 968 T C 0.783 175.358 174.700 -0.208 0.000 1.126 968 T CA 1.582 63.359 62.100 -0.539 0.000 1.105 968 T CB -0.375 68.014 68.868 -0.798 0.000 0.884 968 T HN 0.474 nan 8.240 nan 0.000 0.522 969 D N 0.542 120.931 120.400 -0.018 0.000 2.328 969 D HA 0.222 4.866 4.640 0.006 0.000 0.221 969 D C 1.648 178.036 176.300 0.146 0.000 1.072 969 D CA 0.376 54.447 54.000 0.119 0.000 0.850 969 D CB -0.693 40.267 40.800 0.268 0.000 0.922 969 D HN 0.522 nan 8.370 nan 0.000 0.516 970 G N -0.058 108.827 108.800 0.142 0.000 2.184 970 G HA2 -0.291 3.672 3.960 0.006 0.000 0.264 970 G HA3 -0.291 3.672 3.960 0.006 0.000 0.264 970 G C 0.244 175.240 174.900 0.160 0.000 0.975 970 G CA 0.205 45.380 45.100 0.124 0.000 0.642 970 G HN 0.411 nan 8.290 nan 0.000 0.536 971 Q N -0.188 119.763 119.800 0.251 0.000 2.260 971 Q HA 0.622 4.965 4.340 0.006 0.000 0.238 971 Q C 0.333 176.455 176.000 0.203 0.000 0.948 971 Q CA -0.501 55.400 55.803 0.164 0.000 0.895 971 Q CB 1.950 30.746 28.738 0.096 0.000 1.218 971 Q HN 0.276 nan 8.270 nan 0.000 0.470 972 V N 2.162 122.068 119.914 -0.013 0.000 2.472 972 V HA 0.375 4.499 4.120 0.006 0.000 0.290 972 V C -0.927 175.069 176.094 -0.165 0.000 1.037 972 V CA -0.498 61.820 62.300 0.031 0.000 0.908 972 V CB 0.511 32.336 31.823 0.003 0.000 0.985 972 V HN 0.558 nan 8.190 nan 0.000 0.454 973 Y N 1.399 121.705 120.300 0.009 0.000 2.536 973 Y HA 0.720 5.273 4.550 0.006 0.000 0.347 973 Y C 0.710 176.497 175.900 -0.188 0.000 1.000 973 Y CA -0.719 57.340 58.100 -0.068 0.000 1.051 973 Y CB 2.003 40.423 38.460 -0.068 0.000 1.259 973 Y HN 0.723 nan 8.280 nan 0.000 0.468 974 G N 0.370 109.172 108.800 0.003 0.000 2.420 974 G HA2 0.662 4.625 3.960 0.006 0.000 0.284 974 G HA3 0.662 4.625 3.960 0.006 0.000 0.284 974 G C -0.950 173.853 174.900 -0.161 0.000 1.177 974 G CA 0.104 45.168 45.100 -0.060 0.000 0.841 974 G HN 0.884 nan 8.290 nan 0.000 0.527 975 A N 1.317 124.045 122.820 -0.154 0.000 2.536 975 A HA 0.854 5.177 4.320 0.006 0.000 0.293 975 A C -1.292 176.266 177.584 -0.042 0.000 1.119 975 A CA -0.861 51.077 52.037 -0.165 0.000 0.654 975 A CB 1.441 20.192 19.000 -0.415 0.000 1.291 975 A HN 0.566 nan 8.150 nan 0.000 0.439 976 K N -0.084 120.320 120.400 0.007 0.000 2.397 976 K HA 0.586 4.909 4.320 0.006 0.000 0.253 976 K C -1.158 175.502 176.600 0.100 0.000 0.932 976 K CA -0.225 56.096 56.287 0.058 0.000 0.795 976 K CB 1.718 34.247 32.500 0.049 0.000 1.159 976 K HN 0.548 nan 8.250 nan 0.000 0.424 977 F N 3.513 123.453 119.950 -0.017 0.000 2.504 977 F HA 0.099 4.628 4.527 0.005 0.000 0.369 977 F C 0.612 176.415 175.800 0.005 0.000 1.082 977 F CA 0.007 57.991 58.000 -0.026 0.000 1.216 977 F CB 0.500 39.452 39.000 -0.081 0.000 1.108 977 F HN 0.341 nan 8.300 nan 0.000 0.554 978 V N 4.926 124.404 119.914 -0.727 0.000 2.484 978 V HA 0.483 4.606 4.120 0.006 0.000 0.236 978 V C 0.744 176.330 176.094 -0.846 0.000 1.062 978 V CA 0.919 62.912 62.300 -0.512 0.000 1.081 978 V CB -0.425 31.331 31.823 -0.112 0.000 0.751 978 V HN 0.970 nan 8.190 nan 0.000 0.484 979 A N -0.338 121.819 122.820 -1.106 0.000 2.540 979 A HA 0.719 5.043 4.320 0.006 0.000 0.291 979 A C -0.892 176.558 177.584 -0.224 0.000 1.083 979 A CA 0.211 51.858 52.037 -0.651 0.000 0.650 979 A CB 1.275 20.156 19.000 -0.199 0.000 1.292 979 A HN 0.546 nan 8.150 nan 0.000 0.435 980 S N 0.487 116.305 115.700 0.196 0.000 2.548 980 S HA 0.852 5.326 4.470 0.006 0.000 0.286 980 S C -1.043 173.800 174.600 0.405 0.000 1.098 980 S CA -0.338 58.117 58.200 0.425 0.000 0.930 980 S CB 1.680 65.181 63.200 0.502 0.000 1.070 980 S HN 2.093 nan 8.310 nan 0.000 0.480 981 H N -0.484 118.736 119.070 0.249 0.000 3.083 981 H HA 0.574 5.133 4.556 0.005 0.000 0.339 981 H C -3.755 171.693 175.328 0.200 0.000 1.020 981 H CA -1.746 54.413 56.048 0.185 0.000 1.360 981 H CB 0.799 30.647 29.762 0.143 0.000 1.811 981 H HN 0.370 nan 8.280 nan 0.000 0.493 982 P HA 0.197 nan 4.420 nan 0.000 0.271 982 P C -0.270 176.954 177.300 -0.126 0.000 1.218 982 P CA -0.386 62.670 63.100 -0.072 0.000 0.780 982 P CB 0.862 32.556 31.700 -0.009 0.000 0.901 983 I N 1.927 122.452 120.570 -0.074 0.000 2.468 983 I HA 0.185 4.358 4.170 0.006 0.000 0.285 983 I C -0.025 176.089 176.117 -0.005 0.000 1.039 983 I CA -0.961 60.332 61.300 -0.012 0.000 1.074 983 I CB 1.439 39.486 38.000 0.079 0.000 1.228 983 I HN 0.345 nan 8.210 nan 0.000 0.436 984 Q N 7.162 126.945 119.800 -0.028 0.000 2.255 984 Q HA 0.344 4.687 4.340 0.006 0.000 0.280 984 Q C -1.190 174.704 176.000 -0.176 0.000 1.068 984 Q CA 0.945 56.679 55.803 -0.114 0.000 0.911 984 Q CB 0.748 29.427 28.738 -0.098 0.000 1.157 984 Q HN 0.601 nan 8.270 nan 0.000 0.380 985 M N 3.284 122.712 119.600 -0.285 0.000 2.775 985 M HA 0.478 4.961 4.480 0.006 0.000 0.296 985 M C -1.301 174.635 176.300 -0.607 0.000 1.248 985 M CA -1.004 54.137 55.300 -0.265 0.000 0.800 985 M CB 1.789 34.398 32.600 0.015 0.000 1.765 985 M HN 0.543 nan 8.290 nan 0.000 0.472 986 Y N 0.393 120.715 120.300 0.037 0.000 2.331 986 Y HA 0.375 4.929 4.550 0.007 0.000 0.334 986 Y C -0.364 175.548 175.900 0.021 0.000 0.960 986 Y CA -0.809 57.304 58.100 0.022 0.000 1.130 986 Y CB 1.224 39.695 38.460 0.018 0.000 1.164 986 Y HN 0.476 nan 8.280 nan 0.000 0.458 987 Q N 4.059 123.911 119.800 0.087 0.000 2.337 987 Q HA 0.545 4.889 4.340 0.006 0.000 0.255 987 Q C -0.960 175.068 176.000 0.047 0.000 0.997 987 Q CA -0.663 55.174 55.803 0.058 0.000 0.925 987 Q CB 0.801 29.551 28.738 0.019 0.000 1.212 987 Q HN 0.690 nan 8.270 nan 0.000 0.436 988 V N 0.938 120.865 119.914 0.023 0.000 2.667 988 V HA 0.660 4.783 4.120 0.006 0.000 0.308 988 V C -0.816 175.196 176.094 -0.138 0.000 1.048 988 V CA -0.895 61.354 62.300 -0.085 0.000 0.928 988 V CB 1.842 33.563 31.823 -0.169 0.000 1.004 988 V HN 0.854 nan 8.190 nan 0.000 0.444 989 E N 2.024 122.100 120.200 -0.206 0.000 2.210 989 E HA 0.585 4.939 4.350 0.006 0.000 0.266 989 E C -1.581 174.875 176.600 -0.240 0.000 0.883 989 E CA -0.679 55.650 56.400 -0.119 0.000 0.761 989 E CB 1.716 31.399 29.700 -0.028 0.000 1.156 989 E HN 0.654 nan 8.360 nan 0.000 0.412 990 F N 1.510 121.492 119.950 0.054 0.000 2.375 990 F HA 0.191 4.721 4.527 0.006 0.000 0.317 990 F C 1.913 177.731 175.800 0.030 0.000 1.124 990 F CA -0.380 57.658 58.000 0.064 0.000 1.050 990 F CB 0.540 39.609 39.000 0.115 0.000 1.314 990 F HN 0.619 nan 8.300 nan 0.000 0.511 991 E N 0.413 120.740 120.200 0.212 0.000 2.160 991 E HA -0.250 4.104 4.350 0.006 0.000 0.195 991 E C 1.217 177.862 176.600 0.075 0.000 0.991 991 E CA 1.714 58.176 56.400 0.103 0.000 0.810 991 E CB -0.137 29.609 29.700 0.076 0.000 0.742 991 E HN 0.717 nan 8.360 nan 0.000 0.466 992 D N -1.528 118.921 120.400 0.080 0.000 2.349 992 D HA 0.014 4.658 4.640 0.006 0.000 0.224 992 D C 1.321 177.664 176.300 0.072 0.000 1.029 992 D CA 0.923 54.953 54.000 0.049 0.000 0.879 992 D CB 0.271 41.079 40.800 0.012 0.000 0.906 992 D HN 0.345 nan 8.370 nan 0.000 0.528 993 G N 0.121 108.985 108.800 0.106 0.000 2.213 993 G HA2 -0.284 3.680 3.960 0.006 0.000 0.236 993 G HA3 -0.284 3.680 3.960 0.006 0.000 0.236 993 G C 0.449 175.410 174.900 0.103 0.000 0.991 993 G CA 0.322 45.472 45.100 0.084 0.000 0.629 993 G HN 0.844 nan 8.290 nan 0.000 0.517 994 S N 0.087 115.872 115.700 0.142 0.000 2.579 994 S HA 0.628 5.102 4.470 0.006 0.000 0.275 994 S C -0.041 174.682 174.600 0.204 0.000 1.345 994 S CA 0.363 58.629 58.200 0.111 0.000 1.031 994 S CB 1.614 64.816 63.200 0.004 0.000 0.892 994 S HN 0.651 nan 8.310 nan 0.000 0.529 995 Q N 0.590 120.465 119.800 0.125 0.000 2.451 995 Q HA 0.745 5.089 4.340 0.006 0.000 0.281 995 Q C -1.182 174.890 176.000 0.119 0.000 1.099 995 Q CA -0.822 55.062 55.803 0.136 0.000 0.806 995 Q CB 2.166 30.942 28.738 0.063 0.000 1.419 995 Q HN 0.696 nan 8.270 nan 0.000 0.427 996 L N 0.359 121.667 121.223 0.142 0.000 2.469 996 L HA 0.619 4.962 4.340 0.006 0.000 0.256 996 L C -1.198 175.736 176.870 0.106 0.000 1.006 996 L CA -1.095 53.819 54.840 0.122 0.000 0.832 996 L CB 2.523 44.693 42.059 0.184 0.000 1.421 996 L HN 0.314 nan 8.230 nan 0.000 0.410 997 V N 2.614 122.588 119.914 0.100 0.000 2.326 997 V HA 0.446 4.570 4.120 0.006 0.000 0.281 997 V C -0.084 176.095 176.094 0.142 0.000 1.015 997 V CA -0.575 61.789 62.300 0.107 0.000 0.823 997 V CB 1.618 33.492 31.823 0.085 0.000 1.009 997 V HN 0.482 nan 8.190 nan 0.000 0.436 998 V N 2.489 122.509 119.914 0.177 0.000 3.103 998 V HA 0.695 4.819 4.120 0.006 0.000 0.318 998 V C -0.124 176.121 176.094 0.252 0.000 1.114 998 V CA -1.143 61.271 62.300 0.190 0.000 1.020 998 V CB 1.895 33.824 31.823 0.176 0.000 1.085 998 V HN 0.660 nan 8.190 nan 0.000 0.446 999 K N 0.171 120.691 120.400 0.201 0.000 2.090 999 K HA 0.388 4.711 4.320 0.006 0.000 0.250 999 K C 0.967 177.681 176.600 0.190 0.000 1.004 999 K CA -0.649 55.766 56.287 0.214 0.000 0.919 999 K CB 0.993 33.566 32.500 0.122 0.000 1.045 999 K HN 0.724 nan 8.250 nan 0.000 0.471 1000 R N 1.417 122.044 120.500 0.212 0.000 2.103 1000 R HA -0.186 4.158 4.340 0.006 0.000 0.242 1000 R C 0.951 177.176 176.300 -0.125 0.000 1.142 1000 R CA 1.994 58.086 56.100 -0.013 0.000 0.960 1000 R CB -0.415 29.935 30.300 0.084 0.000 0.858 1000 R HN 0.629 nan 8.270 nan 0.000 0.439 1001 D N 0.191 120.559 120.400 -0.053 0.000 2.350 1001 D HA -0.105 4.538 4.640 0.006 0.000 0.216 1001 D C 0.225 176.461 176.300 -0.106 0.000 0.968 1001 D CA 0.931 54.872 54.000 -0.099 0.000 0.894 1001 D CB -0.019 40.765 40.800 -0.027 0.000 0.909 1001 D HN 0.368 nan 8.370 nan 0.000 0.520 1002 D N 0.037 120.426 120.400 -0.017 0.000 2.363 1002 D HA 0.051 4.695 4.640 0.006 0.000 0.214 1002 D C 0.135 176.535 176.300 0.165 0.000 1.093 1002 D CA 0.081 54.158 54.000 0.128 0.000 0.837 1002 D CB 1.398 42.289 40.800 0.153 0.000 0.948 1002 D HN -0.008 nan 8.370 nan 0.000 0.507 1003 V N 1.266 121.130 119.914 -0.082 0.000 2.513 1003 V HA 0.327 4.450 4.120 0.006 0.000 0.299 1003 V C -0.786 175.188 176.094 -0.200 0.000 1.035 1003 V CA -0.700 61.569 62.300 -0.052 0.000 0.889 1003 V CB 1.339 33.011 31.823 -0.250 0.000 0.988 1003 V HN -0.056 nan 8.190 nan 0.000 0.440 1004 Y N 1.161 121.461 120.300 0.001 0.000 2.499 1004 Y HA 0.576 5.130 4.550 0.006 0.000 0.347 1004 Y C 0.756 176.633 175.900 -0.039 0.000 0.987 1004 Y CA -0.932 57.150 58.100 -0.030 0.000 1.044 1004 Y CB 2.063 40.491 38.460 -0.053 0.000 1.245 1004 Y HN 0.728 nan 8.280 nan 0.000 0.461 1005 T N -0.670 113.939 114.554 0.092 0.000 2.904 1005 T HA 0.268 4.622 4.350 0.006 0.000 0.290 1005 T C 1.140 175.870 174.700 0.051 0.000 1.018 1005 T CA -0.724 61.402 62.100 0.044 0.000 1.075 1005 T CB 0.761 69.635 68.868 0.011 0.000 0.986 1005 T HN 0.732 nan 8.240 nan 0.000 0.523 1006 L N 1.030 122.270 121.223 0.029 0.000 2.187 1006 L HA -0.107 4.236 4.340 0.006 0.000 0.213 1006 L C 2.464 179.335 176.870 0.003 0.000 1.100 1006 L CA 1.734 56.583 54.840 0.016 0.000 0.765 1006 L CB -0.435 41.631 42.059 0.013 0.000 0.904 1006 L HN 0.867 nan 8.230 nan 0.000 0.437 1007 D N -0.116 120.287 120.400 0.006 0.000 2.349 1007 D HA -0.094 4.550 4.640 0.006 0.000 0.215 1007 D C 0.578 176.878 176.300 -0.000 0.000 1.016 1007 D CA 0.005 54.005 54.000 -0.000 0.000 0.870 1007 D CB 0.060 40.861 40.800 0.001 0.000 0.917 1007 D HN 0.553 nan 8.370 nan 0.000 0.524 1008 E N 0.729 120.938 120.200 0.014 0.000 2.248 1008 E HA 0.250 4.603 4.350 0.006 0.000 0.272 1008 E C -0.331 176.262 176.600 -0.012 0.000 1.008 1008 E CA -0.944 55.469 56.400 0.022 0.000 0.856 1008 E CB 1.695 31.437 29.700 0.070 0.000 1.120 1008 E HN 0.055 nan 8.360 nan 0.000 0.397 1009 E N 2.634 122.822 120.200 -0.021 0.000 2.390 1009 E HA 0.160 4.513 4.350 0.006 0.000 0.261 1009 E C -0.918 175.596 176.600 -0.144 0.000 1.076 1009 E CA -0.411 55.943 56.400 -0.077 0.000 0.905 1009 E CB 0.657 30.327 29.700 -0.050 0.000 0.984 1009 E HN 0.458 nan 8.360 nan 0.000 0.427 1010 L N 4.567 125.617 121.223 -0.287 0.000 2.346 1010 L HA 0.546 4.890 4.340 0.006 0.000 0.274 1010 L C -1.720 174.960 176.870 -0.316 0.000 1.007 1010 L CA -1.992 52.526 54.840 -0.536 0.000 0.818 1010 L CB 1.391 42.894 42.059 -0.926 0.000 1.284 1010 L HN 0.665 nan 8.230 nan 0.000 0.424 1011 P HA 0.000 nan 4.420 nan 0.000 0.216 1011 P CA 0.000 62.981 63.100 -0.198 0.000 0.800 1011 P CB 0.000 31.705 31.700 0.008 0.000 0.726