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 3fup_1_B DATA FIRST_RESID 840 DATA SEQUENCE DPTQFEERHL KFLQQLGKGN FGSVEMCRYD PLQDNTGEVV AVKKLQHSTE DATA SEQUENCE EHLRDFEREI EILKSLQHDN IVKYKGVCYS XXXXNLKLIM EYLPYGSLRD DATA SEQUENCE YLQKHKERID HIKLLQYTSQ ICKGMEYLGT KRYIHRDLAT RNILVENENR DATA SEQUENCE VKIGDFGLTK VLPQDKEXXK VKEPGESPIF WYAPESLTES KFSVASDVWS DATA SEQUENCE FGVVLYELFT YIEKSKSPPA EFMRMIGNDK QGQMIVFHLI ELLKNNGRLP DATA SEQUENCE RPDGCPDEIY MIMTECWNNN VNQRPSFRDL ALRVDQIRDQ MAG 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 840 D HA 0.000 nan 4.640 nan 0.000 0.175 840 D C 0.000 176.211 176.300 -0.149 0.000 2.045 840 D CA 0.000 53.964 54.000 -0.060 0.000 0.868 840 D CB 0.000 40.778 40.800 -0.036 0.000 0.688 841 P HA 0.089 nan 4.420 nan 0.000 0.218 841 P C 1.704 178.739 177.300 -0.441 0.000 1.148 841 P CA 3.176 66.117 63.100 -0.266 0.000 0.822 841 P CB -0.254 31.363 31.700 -0.138 0.000 0.784 842 T N -1.779 112.635 114.554 -0.234 0.000 3.148 842 T HA 0.001 4.351 4.350 -0.000 0.000 0.253 842 T C 0.817 175.436 174.700 -0.135 0.000 1.134 842 T CA 0.531 62.544 62.100 -0.145 0.000 1.051 842 T CB -0.351 68.548 68.868 0.052 0.000 0.959 842 T HN -0.046 nan 8.240 nan 0.000 0.525 843 Q N 0.945 120.580 119.800 -0.276 0.000 2.425 843 Q HA 0.485 4.825 4.340 -0.000 0.000 0.254 843 Q C -1.179 174.668 176.000 -0.254 0.000 1.032 843 Q CA -0.401 55.340 55.803 -0.102 0.000 0.798 843 Q CB 0.837 29.580 28.738 0.008 0.000 1.210 843 Q HN 0.539 nan 8.270 nan 0.000 0.491 844 F N 0.731 120.630 119.950 -0.086 0.000 2.410 844 F HA 0.384 4.910 4.527 -0.000 0.000 0.324 844 F C 0.893 176.773 175.800 0.133 0.000 1.093 844 F CA -0.856 57.059 58.000 -0.142 0.000 1.028 844 F CB 1.115 39.877 39.000 -0.395 0.000 1.309 844 F HN 0.268 nan 8.300 nan 0.000 0.499 845 E N 0.519 121.058 120.200 0.566 0.000 2.914 845 E HA 0.147 4.497 4.350 -0.000 0.000 0.246 845 E C 0.463 177.233 176.600 0.282 0.000 1.146 845 E CA -0.161 56.501 56.400 0.437 0.000 0.803 845 E CB 0.657 30.712 29.700 0.592 0.000 1.409 845 E HN 0.535 nan 8.360 nan 0.000 0.392 846 E N 2.975 123.288 120.200 0.188 0.000 2.172 846 E HA -0.320 4.030 4.350 -0.000 0.000 0.213 846 E C 1.106 177.738 176.600 0.054 0.000 1.051 846 E CA 2.155 58.630 56.400 0.125 0.000 0.860 846 E CB 0.133 29.883 29.700 0.083 0.000 0.755 846 E HN 0.511 nan 8.360 nan 0.000 0.462 847 R N -1.377 119.079 120.500 -0.072 0.000 2.377 847 R HA -0.091 4.249 4.340 -0.000 0.000 0.207 847 R C 1.069 177.185 176.300 -0.307 0.000 1.075 847 R CA 1.297 57.273 56.100 -0.208 0.000 1.035 847 R CB -0.253 29.875 30.300 -0.286 0.000 0.857 847 R HN 0.516 nan 8.270 nan 0.000 0.475 848 H N -1.597 117.494 119.070 0.035 0.000 2.755 848 H HA 0.136 4.692 4.556 -0.000 0.000 0.273 848 H C -0.642 174.656 175.328 -0.051 0.000 1.055 848 H CA -0.470 55.510 56.048 -0.114 0.000 1.191 848 H CB 0.725 30.226 29.762 -0.434 0.000 1.536 848 H HN -0.100 nan 8.280 nan 0.000 0.529 849 L N 2.495 123.837 121.223 0.198 0.000 2.259 849 L HA 0.259 4.599 4.340 -0.000 0.000 0.288 849 L C -0.453 176.506 176.870 0.149 0.000 1.051 849 L CA -0.365 54.624 54.840 0.249 0.000 0.824 849 L CB 0.389 42.617 42.059 0.281 0.000 1.206 849 L HN -0.014 nan 8.230 nan 0.000 0.429 850 K N 5.058 125.526 120.400 0.113 0.000 2.262 850 K HA 0.199 4.519 4.320 -0.000 0.000 0.282 850 K C -0.614 176.042 176.600 0.094 0.000 1.066 850 K CA -0.563 55.777 56.287 0.088 0.000 0.901 850 K CB 0.883 33.406 32.500 0.039 0.000 1.089 850 K HN 0.373 nan 8.250 nan 0.000 0.476 851 F N 4.445 124.391 119.950 -0.008 0.000 2.495 851 F HA 0.037 4.564 4.527 -0.000 0.000 0.365 851 F C 0.327 176.106 175.800 -0.035 0.000 1.090 851 F CA 0.125 58.112 58.000 -0.022 0.000 1.235 851 F CB 0.389 39.380 39.000 -0.015 0.000 1.119 851 F HN 0.473 nan 8.300 nan 0.000 0.562 852 L N 3.176 123.858 121.223 -0.902 0.000 2.541 852 L HA 0.246 4.586 4.340 -0.000 0.000 0.187 852 L C -0.232 176.056 176.870 -0.970 0.000 1.098 852 L CA 0.063 54.473 54.840 -0.718 0.000 0.846 852 L CB -0.058 41.741 42.059 -0.432 0.000 1.151 852 L HN 0.736 nan 8.230 nan 0.000 0.492 853 Q N -0.912 118.279 119.800 -1.015 0.000 2.687 853 Q HA 0.294 4.634 4.340 -0.000 0.000 0.295 853 Q C -1.126 174.750 176.000 -0.207 0.000 0.920 853 Q CA -0.837 54.596 55.803 -0.617 0.000 0.766 853 Q CB 1.520 30.099 28.738 -0.265 0.000 1.467 853 Q HN -0.000 nan 8.270 nan 0.000 0.415 854 Q N 0.543 120.397 119.800 0.090 0.000 2.327 854 Q HA 0.336 4.676 4.340 -0.000 0.000 0.254 854 Q C -0.688 175.351 176.000 0.066 0.000 0.952 854 Q CA 0.090 55.981 55.803 0.147 0.000 0.884 854 Q CB 0.940 29.770 28.738 0.152 0.000 1.224 854 Q HN 0.805 nan 8.270 nan 0.000 0.422 855 L N 2.133 123.401 121.223 0.075 0.000 2.500 855 L HA 0.547 4.887 4.340 -0.000 0.000 0.219 855 L C 0.882 177.786 176.870 0.057 0.000 1.057 855 L CA 0.342 55.227 54.840 0.074 0.000 0.854 855 L CB 0.527 42.649 42.059 0.105 0.000 1.078 855 L HN 0.812 nan 8.230 nan 0.000 0.480 856 G N -0.568 108.260 108.800 0.047 0.000 2.349 856 G HA2 0.303 4.263 3.960 -0.000 0.000 0.294 856 G HA3 0.303 4.263 3.960 -0.000 0.000 0.294 856 G C -1.916 172.987 174.900 0.005 0.000 1.380 856 G CA -0.597 44.516 45.100 0.022 0.000 0.811 856 G HN -0.238 nan 8.290 nan 0.000 0.519 857 K N -0.816 119.572 120.400 -0.020 0.000 2.435 857 K HA 0.708 5.028 4.320 -0.000 0.000 0.251 857 K C 0.056 176.610 176.600 -0.076 0.000 0.954 857 K CA -0.434 55.825 56.287 -0.046 0.000 0.820 857 K CB 2.560 35.029 32.500 -0.051 0.000 1.292 857 K HN 0.806 nan 8.250 nan 0.000 0.436 858 G N 0.246 108.981 108.800 -0.109 0.000 3.119 858 G HA2 0.167 4.126 3.960 -0.000 0.000 0.206 858 G HA3 0.167 4.126 3.960 -0.000 0.000 0.206 858 G C 0.183 174.938 174.900 -0.241 0.000 1.313 858 G CA -0.350 44.654 45.100 -0.160 0.000 1.010 858 G HN 0.696 nan 8.290 nan 0.000 0.578 859 N N -1.324 117.133 118.700 -0.407 0.000 2.250 859 N HA 0.018 4.758 4.740 -0.000 0.000 0.181 859 N C 0.862 175.974 175.510 -0.663 0.000 1.017 859 N CA 1.016 53.676 53.050 -0.651 0.000 0.866 859 N CB 0.031 37.919 38.487 -0.999 0.000 0.985 859 N HN 0.298 nan 8.380 nan 0.000 0.429 860 F N -0.654 119.183 119.950 -0.188 0.000 2.729 860 F HA 0.455 4.982 4.527 -0.000 0.000 0.315 860 F C 0.825 176.487 175.800 -0.229 0.000 1.102 860 F CA -0.554 57.296 58.000 -0.249 0.000 1.204 860 F CB 0.879 39.569 39.000 -0.517 0.000 1.052 860 F HN -0.160 nan 8.300 nan 0.000 0.551 861 G N -1.001 107.747 108.800 -0.085 0.000 2.645 861 G HA2 0.543 4.502 3.960 -0.000 0.000 0.292 861 G HA3 0.543 4.502 3.960 -0.000 0.000 0.292 861 G C -1.600 173.239 174.900 -0.101 0.000 1.415 861 G CA -0.798 44.224 45.100 -0.131 0.000 0.785 861 G HN -0.065 nan 8.290 nan 0.000 0.483 862 S N -1.730 113.918 115.700 -0.086 0.000 2.542 862 S HA 0.602 5.072 4.470 -0.000 0.000 0.276 862 S C -1.504 173.093 174.600 -0.005 0.000 1.148 862 S CA -0.434 57.742 58.200 -0.039 0.000 0.886 862 S CB 1.714 64.891 63.200 -0.037 0.000 1.109 862 S HN 1.038 nan 8.310 nan 0.000 0.458 863 V N 4.038 123.968 119.914 0.027 0.000 2.540 863 V HA 0.619 4.739 4.120 -0.000 0.000 0.302 863 V C -0.577 175.568 176.094 0.085 0.000 1.035 863 V CA -0.628 61.707 62.300 0.058 0.000 0.873 863 V CB 1.687 33.548 31.823 0.064 0.000 0.992 863 V HN 0.911 nan 8.190 nan 0.000 0.428 864 E N 3.915 124.176 120.200 0.102 0.000 2.312 864 E HA 0.540 4.890 4.350 -0.000 0.000 0.267 864 E C -0.808 175.821 176.600 0.048 0.000 0.894 864 E CA -0.927 55.560 56.400 0.144 0.000 0.773 864 E CB 2.876 32.762 29.700 0.310 0.000 1.241 864 E HN 0.651 nan 8.360 nan 0.000 0.432 865 M N 2.555 122.114 119.600 -0.068 0.000 2.105 865 M HA 0.329 4.808 4.480 -0.000 0.000 0.350 865 M C -1.578 174.572 176.300 -0.251 0.000 1.308 865 M CA -0.113 55.046 55.300 -0.235 0.000 1.108 865 M CB 0.057 32.426 32.600 -0.385 0.000 1.622 865 M HN 0.596 nan 8.290 nan 0.000 0.468 866 C N 4.363 123.557 119.300 -0.175 0.000 2.626 866 C HA 0.577 5.036 4.460 -0.000 0.000 0.310 866 C C -0.192 174.752 174.990 -0.077 0.000 1.191 866 C CA -0.962 58.004 59.018 -0.085 0.000 1.517 866 C CB 2.120 29.874 27.740 0.024 0.000 2.102 866 C HN 0.925 nan 8.230 nan 0.000 0.479 867 R N 1.534 122.015 120.500 -0.032 0.000 2.229 867 R HA 0.330 4.670 4.340 -0.000 0.000 0.328 867 R C -1.406 174.971 176.300 0.129 0.000 1.009 867 R CA -0.336 55.777 56.100 0.021 0.000 0.864 867 R CB 0.496 30.788 30.300 -0.014 0.000 1.085 867 R HN 0.792 nan 8.270 nan 0.000 0.453 868 Y N 3.689 124.014 120.300 0.042 0.000 2.486 868 Y HA 0.109 4.658 4.550 -0.000 0.000 0.348 868 Y C -0.689 175.264 175.900 0.089 0.000 1.000 868 Y CA -0.017 58.154 58.100 0.118 0.000 1.253 868 Y CB 0.703 39.295 38.460 0.221 0.000 1.140 868 Y HN 0.614 nan 8.280 nan 0.000 0.526 869 D N 7.911 128.177 120.400 -0.223 0.000 2.552 869 D HA 0.319 4.958 4.640 -0.000 0.000 0.285 869 D C -2.277 173.874 176.300 -0.248 0.000 1.206 869 D CA -1.873 52.029 54.000 -0.163 0.000 0.826 869 D CB 1.094 41.862 40.800 -0.052 0.000 1.179 869 D HN 0.260 nan 8.370 nan 0.000 0.508 870 P HA -0.008 nan 4.420 nan 0.000 0.221 870 P C 1.391 178.515 177.300 -0.292 0.000 1.150 870 P CA 0.642 63.343 63.100 -0.665 0.000 0.800 870 P CB 0.358 31.611 31.700 -0.745 0.000 0.787 871 L N -1.444 119.673 121.223 -0.176 0.000 2.418 871 L HA 0.005 4.345 4.340 -0.000 0.000 0.218 871 L C 0.664 177.505 176.870 -0.049 0.000 1.125 871 L CA 0.513 55.298 54.840 -0.092 0.000 0.835 871 L CB -0.745 41.273 42.059 -0.069 0.000 0.953 871 L HN 0.003 nan 8.230 nan 0.000 0.454 872 Q N -0.023 119.751 119.800 -0.044 0.000 2.452 872 Q HA -0.246 4.094 4.340 -0.000 0.000 0.248 872 Q C 0.258 176.249 176.000 -0.015 0.000 0.874 872 Q CA 1.407 57.201 55.803 -0.014 0.000 1.208 872 Q CB -1.989 26.753 28.738 0.006 0.000 1.569 872 Q HN 0.823 nan 8.270 nan 0.000 0.579 873 D N -0.904 119.483 120.400 -0.022 0.000 2.395 873 D HA 0.134 4.774 4.640 -0.000 0.000 0.213 873 D C 0.717 177.008 176.300 -0.015 0.000 1.110 873 D CA 0.097 54.087 54.000 -0.016 0.000 0.835 873 D CB 0.064 40.854 40.800 -0.016 0.000 0.965 873 D HN 0.312 nan 8.370 nan 0.000 0.505 874 N N -0.309 118.380 118.700 -0.018 0.000 2.948 874 N HA -0.201 4.539 4.740 -0.000 0.000 0.239 874 N C 0.353 175.857 175.510 -0.012 0.000 0.954 874 N CA 1.289 54.330 53.050 -0.015 0.000 0.941 874 N CB -1.354 37.124 38.487 -0.014 0.000 1.101 874 N HN 0.435 nan 8.380 nan 0.000 0.579 875 T N -1.976 112.571 114.554 -0.012 0.000 3.163 875 T HA 0.207 4.557 4.350 -0.000 0.000 0.260 875 T C 1.165 175.869 174.700 0.005 0.000 1.156 875 T CA 0.645 62.742 62.100 -0.004 0.000 1.072 875 T CB 0.109 68.973 68.868 -0.006 0.000 0.937 875 T HN 0.421 nan 8.240 nan 0.000 0.528 876 G N 0.618 109.421 108.800 0.005 0.000 2.507 876 G HA2 0.499 4.459 3.960 -0.000 0.000 0.271 876 G HA3 0.499 4.459 3.960 -0.000 0.000 0.271 876 G C -0.584 174.346 174.900 0.050 0.000 1.189 876 G CA -0.750 44.369 45.100 0.031 0.000 0.859 876 G HN 0.397 nan 8.290 nan 0.000 0.542 877 E N -0.884 119.371 120.200 0.091 0.000 2.250 877 E HA 0.412 4.761 4.350 -0.000 0.000 0.269 877 E C -0.616 176.028 176.600 0.073 0.000 1.018 877 E CA -0.702 55.746 56.400 0.079 0.000 0.873 877 E CB 2.298 32.054 29.700 0.093 0.000 1.134 877 E HN 0.153 nan 8.360 nan 0.000 0.403 878 V N 2.352 122.290 119.914 0.041 0.000 2.481 878 V HA 0.295 4.415 4.120 -0.000 0.000 0.286 878 V C -0.090 176.012 176.094 0.013 0.000 1.042 878 V CA -0.401 61.882 62.300 -0.030 0.000 0.928 878 V CB 1.228 32.973 31.823 -0.131 0.000 0.986 878 V HN 0.473 nan 8.190 nan 0.000 0.462 879 V N 2.265 122.149 119.914 -0.049 0.000 2.962 879 V HA 0.995 5.115 4.120 -0.000 0.000 0.313 879 V C -0.128 175.947 176.094 -0.032 0.000 1.099 879 V CA -1.011 61.267 62.300 -0.037 0.000 0.971 879 V CB 1.874 33.591 31.823 -0.177 0.000 1.028 879 V HN 1.013 nan 8.190 nan 0.000 0.430 880 A N 2.750 125.594 122.820 0.040 0.000 2.301 880 A HA 0.789 5.109 4.320 -0.000 0.000 0.298 880 A C -0.376 177.198 177.584 -0.017 0.000 1.185 880 A CA -0.538 51.532 52.037 0.055 0.000 0.830 880 A CB 0.934 20.017 19.000 0.139 0.000 1.112 880 A HN 1.429 nan 8.150 nan 0.000 0.508 881 V N 3.541 123.455 119.914 -0.000 0.000 2.350 881 V HA 0.278 4.398 4.120 -0.000 0.000 0.285 881 V C 0.231 176.359 176.094 0.056 0.000 1.014 881 V CA -0.654 61.644 62.300 -0.004 0.000 0.831 881 V CB 1.193 33.009 31.823 -0.012 0.000 1.000 881 V HN 0.933 nan 8.190 nan 0.000 0.433 882 K N 5.832 126.291 120.400 0.099 0.000 2.312 882 K HA 0.431 4.751 4.320 -0.000 0.000 0.287 882 K C 0.010 176.703 176.600 0.155 0.000 1.062 882 K CA -0.394 55.976 56.287 0.138 0.000 0.934 882 K CB 0.572 33.210 32.500 0.230 0.000 1.027 882 K HN 0.819 nan 8.250 nan 0.000 0.478 883 K N 3.506 123.910 120.400 0.007 0.000 2.352 883 K HA 0.496 4.815 4.320 -0.000 0.000 0.240 883 K C -1.642 174.805 176.600 -0.254 0.000 1.017 883 K CA -1.090 55.155 56.287 -0.069 0.000 0.851 883 K CB 1.255 33.743 32.500 -0.019 0.000 1.261 883 K HN 0.384 nan 8.250 nan 0.000 0.451 884 L N 1.677 122.736 121.223 -0.272 0.000 2.356 884 L HA 0.304 4.644 4.340 -0.000 0.000 0.277 884 L C 0.206 177.003 176.870 -0.121 0.000 0.996 884 L CA 0.028 54.668 54.840 -0.333 0.000 0.822 884 L CB 1.853 43.618 42.059 -0.490 0.000 1.256 884 L HN 0.769 nan 8.230 nan 0.000 0.413 885 Q N 2.651 122.415 119.800 -0.060 0.000 2.378 885 Q HA 0.140 4.480 4.340 -0.000 0.000 0.216 885 Q C -0.233 175.836 176.000 0.115 0.000 0.892 885 Q CA 0.487 56.295 55.803 0.009 0.000 0.931 885 Q CB 0.503 29.236 28.738 -0.008 0.000 1.086 885 Q HN 0.697 nan 8.270 nan 0.000 0.528 886 H N 0.295 119.364 119.070 -0.001 0.000 2.716 886 H HA 0.305 4.860 4.556 -0.000 0.000 0.260 886 H C -0.620 174.766 175.328 0.097 0.000 1.280 886 H CA -0.197 55.884 56.048 0.056 0.000 1.506 886 H CB 0.676 30.505 29.762 0.112 0.000 1.514 886 H HN -0.096 nan 8.280 nan 0.000 0.502 887 S N 3.547 119.285 115.700 0.064 0.000 2.945 887 S HA 0.003 4.473 4.470 -0.000 0.000 0.227 887 S C 0.835 175.382 174.600 -0.087 0.000 1.353 887 S CA -0.437 57.761 58.200 -0.003 0.000 1.236 887 S CB -0.298 62.918 63.200 0.027 0.000 1.069 887 S HN 0.756 nan 8.310 nan 0.000 0.509 888 T N -0.200 114.198 114.554 -0.260 0.000 2.855 888 T HA 0.099 4.449 4.350 -0.000 0.000 0.322 888 T C 1.145 175.707 174.700 -0.230 0.000 1.088 888 T CA -0.289 61.619 62.100 -0.320 0.000 1.104 888 T CB 0.592 69.106 68.868 -0.590 0.000 0.996 888 T HN 0.110 nan 8.240 nan 0.000 0.549 889 E N 0.691 120.783 120.200 -0.180 0.000 2.153 889 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 889 E C 2.101 178.617 176.600 -0.140 0.000 0.988 889 E CA 0.968 57.297 56.400 -0.117 0.000 0.811 889 E CB -0.186 29.460 29.700 -0.089 0.000 0.746 889 E HN 0.731 nan 8.360 nan 0.000 0.466 890 E N 0.011 120.062 120.200 -0.248 0.000 2.028 890 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 890 E C 2.042 178.508 176.600 -0.223 0.000 0.988 890 E CA 0.947 57.188 56.400 -0.264 0.000 0.799 890 E CB -0.289 29.177 29.700 -0.390 0.000 0.755 890 E HN 0.567 nan 8.360 nan 0.000 0.447 891 H N 0.321 119.250 119.070 -0.235 0.000 2.389 891 H HA -0.040 4.516 4.556 -0.000 0.000 0.299 891 H C 2.362 177.656 175.328 -0.057 0.000 1.081 891 H CA 0.808 56.718 56.048 -0.230 0.000 1.345 891 H CB 0.011 29.534 29.762 -0.398 0.000 1.393 891 H HN 0.040 nan 8.280 nan 0.000 0.520 892 L N 0.328 121.590 121.223 0.065 0.000 2.042 892 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 892 L C 2.497 179.441 176.870 0.122 0.000 1.076 892 L CA 1.346 56.261 54.840 0.125 0.000 0.749 892 L CB -0.281 41.822 42.059 0.073 0.000 0.893 892 L HN 0.227 nan 8.230 nan 0.000 0.432 893 R N -0.223 120.305 120.500 0.047 0.000 2.066 893 R HA -0.141 4.199 4.340 -0.000 0.000 0.232 893 R C 1.986 178.315 176.300 0.048 0.000 1.131 893 R CA 1.481 57.599 56.100 0.030 0.000 0.955 893 R CB -0.455 29.840 30.300 -0.009 0.000 0.851 893 R HN 0.363 nan 8.270 nan 0.000 0.432 894 D N 0.338 120.777 120.400 0.065 0.000 2.123 894 D HA -0.189 4.451 4.640 -0.000 0.000 0.196 894 D C 1.635 178.035 176.300 0.165 0.000 0.992 894 D CA 1.073 55.128 54.000 0.091 0.000 0.833 894 D CB -0.238 40.622 40.800 0.101 0.000 0.954 894 D HN 0.060 nan 8.370 nan 0.000 0.455 895 F N 1.889 121.848 119.950 0.015 0.000 2.134 895 F HA -0.112 4.415 4.527 -0.000 0.000 0.299 895 F C 2.169 177.973 175.800 0.008 0.000 1.097 895 F CA 1.179 59.190 58.000 0.018 0.000 1.264 895 F CB -0.286 38.731 39.000 0.028 0.000 1.001 895 F HN -0.065 nan 8.300 nan 0.000 0.479 896 E N -0.479 119.701 120.200 -0.034 0.000 2.110 896 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 896 E C 2.334 178.862 176.600 -0.120 0.000 0.988 896 E CA 1.087 57.414 56.400 -0.122 0.000 0.804 896 E CB -0.159 29.521 29.700 -0.033 0.000 0.745 896 E HN 0.361 nan 8.360 nan 0.000 0.458 897 R N 0.475 120.936 120.500 -0.064 0.000 2.148 897 R HA -0.102 4.237 4.340 -0.000 0.000 0.223 897 R C 2.275 178.507 176.300 -0.113 0.000 1.088 897 R CA 0.968 57.021 56.100 -0.078 0.000 0.985 897 R CB 0.015 30.287 30.300 -0.047 0.000 0.880 897 R HN 0.233 nan 8.270 nan 0.000 0.451 898 E N 1.120 121.271 120.200 -0.082 0.000 2.072 898 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 898 E C 1.655 178.167 176.600 -0.146 0.000 0.982 898 E CA 0.704 57.064 56.400 -0.067 0.000 0.803 898 E CB 0.001 29.756 29.700 0.092 0.000 0.755 898 E HN 0.242 nan 8.360 nan 0.000 0.453 899 I N 0.714 121.133 120.570 -0.251 0.000 3.055 899 I HA -0.222 3.948 4.170 -0.000 0.000 0.277 899 I C 1.810 177.772 176.117 -0.258 0.000 1.306 899 I CA 1.130 62.269 61.300 -0.268 0.000 1.426 899 I CB -0.004 37.780 38.000 -0.360 0.000 1.081 899 I HN 0.264 nan 8.210 nan 0.000 0.502 900 E N -0.623 119.420 120.200 -0.263 0.000 3.566 900 E HA -0.009 4.341 4.350 -0.000 0.000 0.241 900 E C 1.826 178.283 176.600 -0.239 0.000 1.208 900 E CA -0.147 56.095 56.400 -0.264 0.000 1.773 900 E CB -0.107 29.478 29.700 -0.191 0.000 1.818 900 E HN -0.060 nan 8.360 nan 0.000 0.865 901 I N 1.713 122.126 120.570 -0.263 0.000 2.889 901 I HA -0.360 3.809 4.170 -0.000 0.000 0.209 901 I C 2.383 178.305 176.117 -0.326 0.000 0.878 901 I CA 2.031 63.091 61.300 -0.400 0.000 1.175 901 I CB -1.627 36.089 38.000 -0.473 0.000 0.900 901 I HN 0.376 nan 8.210 nan 0.000 0.357 902 L N 0.741 121.771 121.223 -0.322 0.000 2.027 902 L HA -0.181 4.159 4.340 -0.000 0.000 0.206 902 L C 2.650 179.364 176.870 -0.259 0.000 1.074 902 L CA 2.193 56.848 54.840 -0.308 0.000 0.745 902 L CB -0.907 41.074 42.059 -0.130 0.000 0.898 902 L HN 0.268 nan 8.230 nan 0.000 0.433 903 K N -0.699 119.409 120.400 -0.485 0.000 2.228 903 K HA -0.200 4.120 4.320 -0.000 0.000 0.205 903 K C 1.916 178.351 176.600 -0.276 0.000 1.045 903 K CA 1.649 57.501 56.287 -0.725 0.000 0.931 903 K CB -0.205 31.604 32.500 -1.152 0.000 0.727 903 K HN 0.622 nan 8.250 nan 0.000 0.458 904 S N -0.164 115.434 115.700 -0.170 0.000 2.562 904 S HA 0.066 4.536 4.470 -0.000 0.000 0.221 904 S C 0.659 175.294 174.600 0.058 0.000 0.975 904 S CA -0.213 57.969 58.200 -0.031 0.000 0.918 904 S CB -0.108 63.117 63.200 0.043 0.000 0.772 904 S HN 0.166 nan 8.310 nan 0.000 0.531 905 L N 1.948 123.203 121.223 0.054 0.000 2.282 905 L HA 0.479 4.819 4.340 -0.000 0.000 0.288 905 L C -0.288 176.703 176.870 0.201 0.000 1.033 905 L CA -0.349 54.619 54.840 0.213 0.000 0.807 905 L CB 1.456 43.576 42.059 0.102 0.000 1.209 905 L HN 0.202 nan 8.230 nan 0.000 0.423 906 Q N 3.999 123.954 119.800 0.258 0.000 2.394 906 Q HA 0.413 4.752 4.340 -0.000 0.000 0.261 906 Q C -1.244 174.638 176.000 -0.196 0.000 1.023 906 Q CA -0.466 55.364 55.803 0.047 0.000 0.720 906 Q CB 2.136 30.902 28.738 0.047 0.000 1.241 906 Q HN 0.486 nan 8.270 nan 0.000 0.483 907 H N 1.438 120.355 119.070 -0.254 0.000 3.046 907 H HA 0.108 4.664 4.556 -0.000 0.000 0.363 907 H C -0.310 174.923 175.328 -0.157 0.000 1.203 907 H CA -0.384 55.432 56.048 -0.387 0.000 1.169 907 H CB 2.101 31.497 29.762 -0.609 0.000 1.851 907 H HN 0.462 nan 8.280 nan 0.000 0.546 908 D N 1.153 121.245 120.400 -0.514 0.000 2.221 908 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 908 D C 0.521 176.859 176.300 0.063 0.000 0.982 908 D CA 1.073 54.960 54.000 -0.189 0.000 0.857 908 D CB 0.350 41.000 40.800 -0.250 0.000 0.934 908 D HN 0.416 nan 8.370 nan 0.000 0.475 909 N N -0.106 118.828 118.700 0.391 0.000 2.273 909 N HA 0.172 4.912 4.740 -0.000 0.000 0.231 909 N C -0.346 175.301 175.510 0.229 0.000 1.134 909 N CA -0.004 53.209 53.050 0.272 0.000 0.856 909 N CB 1.522 40.156 38.487 0.244 0.000 1.068 909 N HN 0.203 nan 8.380 nan 0.000 0.510 910 I N 0.583 121.302 120.570 0.248 0.000 2.466 910 I HA 0.162 4.331 4.170 -0.000 0.000 0.289 910 I C 0.213 176.448 176.117 0.197 0.000 1.026 910 I CA -0.924 60.532 61.300 0.259 0.000 1.078 910 I CB 2.879 41.041 38.000 0.271 0.000 1.249 910 I HN -0.273 nan 8.210 nan 0.000 0.429 911 V N 7.074 127.123 119.914 0.225 0.000 2.790 911 V HA -0.104 4.016 4.120 -0.000 0.000 0.304 911 V C 0.371 176.555 176.094 0.150 0.000 1.142 911 V CA 0.699 63.102 62.300 0.171 0.000 1.282 911 V CB 0.367 32.306 31.823 0.193 0.000 0.877 911 V HN 0.650 nan 8.190 nan 0.000 0.504 912 K N 5.462 125.926 120.400 0.108 0.000 2.205 912 K HA 0.246 4.566 4.320 -0.000 0.000 0.279 912 K C -0.677 175.994 176.600 0.119 0.000 1.027 912 K CA -0.442 55.910 56.287 0.107 0.000 0.932 912 K CB 0.966 33.509 32.500 0.072 0.000 1.032 912 K HN 0.702 nan 8.250 nan 0.000 0.466 913 Y N 3.603 123.916 120.300 0.023 0.000 2.496 913 Y HA -0.040 4.510 4.550 -0.000 0.000 0.334 913 Y C 0.564 176.486 175.900 0.037 0.000 1.080 913 Y CA 0.570 58.679 58.100 0.016 0.000 1.355 913 Y CB 0.538 38.997 38.460 -0.001 0.000 1.193 913 Y HN 0.557 nan 8.280 nan 0.000 0.523 914 K N 4.217 124.328 120.400 -0.481 0.000 2.214 914 K HA 0.371 4.691 4.320 -0.000 0.000 0.201 914 K C 0.733 176.996 176.600 -0.562 0.000 1.049 914 K CA 0.688 56.744 56.287 -0.385 0.000 0.978 914 K CB 0.422 32.832 32.500 -0.150 0.000 0.842 914 K HN 0.910 nan 8.250 nan 0.000 0.474 915 G N 0.492 108.797 108.800 -0.826 0.000 2.452 915 G HA2 0.266 4.226 3.960 -0.000 0.000 0.224 915 G HA3 0.266 4.226 3.960 -0.000 0.000 0.224 915 G C -1.612 173.209 174.900 -0.131 0.000 1.208 915 G CA -0.254 44.568 45.100 -0.464 0.000 0.946 915 G HN 0.050 nan 8.290 nan 0.000 0.481 916 V N -2.918 117.055 119.914 0.100 0.000 3.130 916 V HA 0.867 4.987 4.120 -0.000 0.000 0.310 916 V C -0.425 175.656 176.094 -0.021 0.000 1.158 916 V CA -0.626 61.655 62.300 -0.031 0.000 1.029 916 V CB 1.197 32.953 31.823 -0.111 0.000 1.057 916 V HN 1.890 nan 8.190 nan 0.000 0.436 917 C N 2.082 121.262 119.300 -0.200 0.000 2.626 917 C HA 0.913 5.373 4.460 -0.000 0.000 0.310 917 C C -1.231 173.578 174.990 -0.300 0.000 1.191 917 C CA -0.270 58.689 59.018 -0.098 0.000 1.517 917 C CB 0.860 28.612 27.740 0.021 0.000 2.102 917 C HN 0.897 nan 8.230 nan 0.000 0.479 918 Y N 2.474 122.836 120.300 0.103 0.000 2.598 918 Y HA 0.607 5.157 4.550 -0.000 0.000 0.340 918 Y C 0.989 176.932 175.900 0.071 0.000 1.038 918 Y CA -0.225 57.924 58.100 0.081 0.000 1.100 918 Y CB 1.774 40.274 38.460 0.067 0.000 1.281 918 Y HN 0.850 nan 8.280 nan 0.000 0.488 925 L N 1.782 123.079 121.223 0.124 0.000 2.490 925 L HA 0.367 4.707 4.340 -0.000 0.000 0.274 925 L C -0.520 176.437 176.870 0.144 0.000 1.201 925 L CA 0.914 55.768 54.840 0.024 0.000 0.869 925 L CB 0.143 42.252 42.059 0.084 0.000 1.123 925 L HN 0.445 nan 8.230 nan 0.000 0.484 926 K N 4.651 125.046 120.400 -0.007 0.000 2.477 926 K HA 0.545 4.865 4.320 -0.000 0.000 0.255 926 K C -1.750 174.851 176.600 0.002 0.000 0.952 926 K CA -0.995 55.363 56.287 0.118 0.000 0.826 926 K CB 2.283 34.809 32.500 0.043 0.000 1.331 926 K HN 0.496 nan 8.250 nan 0.000 0.437 927 L N 3.437 124.725 121.223 0.109 0.000 2.298 927 L HA 0.454 4.793 4.340 -0.000 0.000 0.284 927 L C -1.139 175.704 176.870 -0.045 0.000 1.013 927 L CA -0.449 54.397 54.840 0.009 0.000 0.824 927 L CB 0.833 42.926 42.059 0.057 0.000 1.221 927 L HN 0.450 nan 8.230 nan 0.000 0.418 928 I N 6.061 126.515 120.570 -0.195 0.000 2.331 928 I HA 0.392 4.561 4.170 -0.000 0.000 0.292 928 I C 0.033 175.979 176.117 -0.286 0.000 0.998 928 I CA -0.155 60.924 61.300 -0.367 0.000 1.267 928 I CB 0.977 38.451 38.000 -0.877 0.000 1.386 928 I HN 0.755 nan 8.210 nan 0.000 0.476 929 M N 4.305 123.806 119.600 -0.165 0.000 2.761 929 M HA 0.383 4.863 4.480 -0.000 0.000 0.305 929 M C 0.112 176.381 176.300 -0.051 0.000 1.235 929 M CA -0.870 54.386 55.300 -0.073 0.000 0.850 929 M CB 2.043 34.664 32.600 0.036 0.000 1.744 929 M HN 0.535 nan 8.290 nan 0.000 0.480 930 E N 0.943 121.143 120.200 -0.001 0.000 2.442 930 E HA -0.041 4.309 4.350 -0.000 0.000 0.262 930 E C -1.564 175.086 176.600 0.083 0.000 1.004 930 E CA -0.094 56.328 56.400 0.037 0.000 0.928 930 E CB 0.532 30.252 29.700 0.034 0.000 0.937 930 E HN 0.569 nan 8.360 nan 0.000 0.446 931 Y N 3.981 124.269 120.300 -0.020 0.000 2.326 931 Y HA 0.371 4.921 4.550 -0.000 0.000 0.337 931 Y C -1.230 174.666 175.900 -0.007 0.000 1.023 931 Y CA -1.016 57.074 58.100 -0.018 0.000 1.143 931 Y CB 0.810 39.252 38.460 -0.031 0.000 1.183 931 Y HN 0.489 nan 8.280 nan 0.000 0.485 932 L N 9.806 130.639 121.223 -0.651 0.000 2.295 932 L HA 0.381 4.721 4.340 -0.000 0.000 0.281 932 L C -1.718 174.661 176.870 -0.817 0.000 1.018 932 L CA -1.771 52.728 54.840 -0.570 0.000 0.841 932 L CB 1.854 43.778 42.059 -0.225 0.000 1.218 932 L HN 0.602 nan 8.230 nan 0.000 0.424 933 P HA -0.058 nan 4.420 nan 0.000 0.245 933 P C 0.700 177.776 177.300 -0.374 0.000 1.206 933 P CA 0.714 63.400 63.100 -0.689 0.000 0.781 933 P CB 0.201 31.652 31.700 -0.414 0.000 0.994 934 Y N 0.332 120.531 120.300 -0.168 0.000 2.482 934 Y HA 0.292 4.842 4.550 -0.000 0.000 0.270 934 Y C 1.932 177.822 175.900 -0.017 0.000 1.152 934 Y CA 0.881 58.954 58.100 -0.045 0.000 1.292 934 Y CB -0.494 37.891 38.460 -0.125 0.000 1.070 934 Y HN 0.063 nan 8.280 nan 0.000 0.528 935 G N 0.276 109.093 108.800 0.028 0.000 2.593 935 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.237 935 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.237 935 G C -0.031 174.887 174.900 0.029 0.000 1.312 935 G CA -0.320 44.800 45.100 0.033 0.000 0.896 935 G HN 0.616 nan 8.290 nan 0.000 0.574 936 S N -0.595 115.132 115.700 0.045 0.000 2.564 936 S HA 0.383 4.853 4.470 -0.000 0.000 0.278 936 S C 1.538 176.165 174.600 0.046 0.000 1.333 936 S CA 0.430 58.645 58.200 0.024 0.000 1.048 936 S CB 1.460 64.676 63.200 0.027 0.000 0.900 936 S HN 2.002 nan 8.310 nan 0.000 0.505 937 L N 3.067 124.285 121.223 -0.009 0.000 2.265 937 L HA 0.077 4.417 4.340 -0.000 0.000 0.215 937 L C 2.525 179.442 176.870 0.079 0.000 1.117 937 L CA 1.558 56.395 54.840 -0.004 0.000 0.782 937 L CB -0.777 41.220 42.059 -0.103 0.000 0.914 937 L HN 0.933 nan 8.230 nan 0.000 0.441 938 R N -0.484 120.057 120.500 0.069 0.000 2.083 938 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 938 R C 1.680 178.047 176.300 0.111 0.000 1.137 938 R CA 2.060 58.214 56.100 0.089 0.000 0.951 938 R CB -0.169 30.173 30.300 0.069 0.000 0.851 938 R HN 0.441 nan 8.270 nan 0.000 0.434 939 D N -1.056 119.415 120.400 0.117 0.000 2.213 939 D HA -0.138 4.501 4.640 -0.000 0.000 0.205 939 D C 1.513 177.910 176.300 0.163 0.000 0.961 939 D CA 0.813 54.883 54.000 0.118 0.000 0.853 939 D CB -0.264 40.599 40.800 0.106 0.000 0.967 939 D HN 0.276 nan 8.370 nan 0.000 0.496 940 Y N 1.312 121.668 120.300 0.093 0.000 2.200 940 Y HA -0.152 4.398 4.550 -0.000 0.000 0.290 940 Y C 2.077 178.104 175.900 0.211 0.000 1.137 940 Y CA 0.742 58.939 58.100 0.161 0.000 1.163 940 Y CB -0.206 38.291 38.460 0.062 0.000 0.988 940 Y HN -0.146 nan 8.280 nan 0.000 0.518 941 L N 0.982 122.377 121.223 0.287 0.000 2.270 941 L HA -0.248 4.092 4.340 -0.000 0.000 0.217 941 L C 1.659 178.649 176.870 0.200 0.000 1.107 941 L CA 2.224 57.223 54.840 0.265 0.000 0.772 941 L CB -0.822 41.362 42.059 0.209 0.000 0.902 941 L HN 0.603 nan 8.230 nan 0.000 0.439 942 Q N -1.246 118.610 119.800 0.094 0.000 2.129 942 Q HA 0.137 4.477 4.340 -0.000 0.000 0.274 942 Q C 0.822 176.801 176.000 -0.035 0.000 0.854 942 Q CA 0.076 55.919 55.803 0.067 0.000 1.123 942 Q CB 0.183 28.968 28.738 0.078 0.000 1.226 942 Q HN 0.464 nan 8.270 nan 0.000 0.454 943 K N -0.868 119.460 120.400 -0.120 0.000 1.022 943 K HA -0.036 4.283 4.320 -0.000 0.000 0.063 943 K C -0.489 175.759 176.600 -0.587 0.000 2.423 943 K CA 0.322 56.443 56.287 -0.276 0.000 0.980 943 K CB -0.303 32.055 32.500 -0.235 0.000 2.701 943 K HN 0.421 nan 8.250 nan 0.000 0.319 944 H N 2.715 121.635 119.070 -0.250 0.000 2.492 944 H HA 0.179 4.735 4.556 -0.000 0.000 0.264 944 H C 0.802 176.041 175.328 -0.149 0.000 1.150 944 H CA 0.258 56.175 56.048 -0.217 0.000 0.962 944 H CB 0.871 30.454 29.762 -0.298 0.000 1.766 944 H HN 0.292 nan 8.280 nan 0.000 0.589 945 K N 1.230 121.587 120.400 -0.073 0.000 2.374 945 K HA -0.230 4.090 4.320 -0.000 0.000 0.202 945 K C 1.330 177.673 176.600 -0.427 0.000 1.044 945 K CA 1.845 57.949 56.287 -0.305 0.000 0.933 945 K CB 0.242 32.525 32.500 -0.362 0.000 0.745 945 K HN 0.326 nan 8.250 nan 0.000 0.474 946 E N 0.066 120.138 120.200 -0.213 0.000 2.465 946 E HA 0.087 4.437 4.350 -0.000 0.000 0.209 946 E C 1.754 178.293 176.600 -0.101 0.000 0.951 946 E CA -0.249 56.041 56.400 -0.184 0.000 0.997 946 E CB 0.398 30.009 29.700 -0.148 0.000 1.025 946 E HN 0.283 nan 8.360 nan 0.000 0.500 947 R N -0.046 120.431 120.500 -0.038 0.000 2.246 947 R HA 0.244 4.584 4.340 -0.000 0.000 0.199 947 R C 0.066 176.366 176.300 0.000 0.000 0.984 947 R CA 0.292 56.392 56.100 -0.000 0.000 1.015 947 R CB 0.463 30.795 30.300 0.054 0.000 0.930 947 R HN 0.042 nan 8.270 nan 0.000 0.475 948 I N 2.458 123.036 120.570 0.013 0.000 2.359 948 I HA 0.108 4.278 4.170 -0.000 0.000 0.284 948 I C -0.580 175.578 176.117 0.069 0.000 1.018 948 I CA -0.958 60.383 61.300 0.068 0.000 1.173 948 I CB 1.267 39.385 38.000 0.197 0.000 1.326 948 I HN 0.090 nan 8.210 nan 0.000 0.462 949 D N 3.339 123.741 120.400 0.003 0.000 2.478 949 D HA 0.115 4.755 4.640 -0.000 0.000 0.274 949 D C 0.909 177.229 176.300 0.034 0.000 1.234 949 D CA -0.046 53.935 54.000 -0.032 0.000 1.069 949 D CB 0.426 41.180 40.800 -0.077 0.000 1.113 949 D HN 0.461 nan 8.370 nan 0.000 0.571 950 H N -1.166 117.947 119.070 0.073 0.000 2.299 950 H HA -0.008 4.548 4.556 -0.001 0.000 0.302 950 H C 1.942 177.289 175.328 0.032 0.000 1.078 950 H CA 0.780 56.880 56.048 0.087 0.000 1.323 950 H CB -0.032 29.885 29.762 0.257 0.000 1.381 950 H HN 0.329 nan 8.280 nan 0.000 0.498 951 I N 1.160 121.825 120.570 0.159 0.000 2.761 951 I HA -0.273 3.897 4.170 -0.000 0.000 0.266 951 I C 1.857 177.956 176.117 -0.031 0.000 1.239 951 I CA 1.308 62.649 61.300 0.068 0.000 1.451 951 I CB 0.123 38.147 38.000 0.040 0.000 1.096 951 I HN 0.102 nan 8.210 nan 0.000 0.465 952 K N -0.036 120.306 120.400 -0.097 0.000 2.387 952 K HA 0.174 4.493 4.320 -0.000 0.000 0.197 952 K C 1.694 177.976 176.600 -0.529 0.000 1.127 952 K CA 0.363 56.486 56.287 -0.274 0.000 0.950 952 K CB -0.154 32.222 32.500 -0.206 0.000 1.017 952 K HN 0.250 nan 8.250 nan 0.000 0.519 953 L N 1.021 122.040 121.223 -0.339 0.000 2.051 953 L HA -0.221 4.118 4.340 -0.000 0.000 0.214 953 L C 2.100 178.861 176.870 -0.182 0.000 1.076 953 L CA 1.495 56.132 54.840 -0.339 0.000 0.758 953 L CB -0.550 41.100 42.059 -0.681 0.000 0.890 953 L HN 0.213 nan 8.230 nan 0.000 0.433 954 L N -0.825 120.357 121.223 -0.068 0.000 2.217 954 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 954 L C 2.638 179.518 176.870 0.015 0.000 1.107 954 L CA 0.887 55.761 54.840 0.056 0.000 0.783 954 L CB -0.408 41.715 42.059 0.107 0.000 0.919 954 L HN 0.416 nan 8.230 nan 0.000 0.442 955 Q N -0.374 119.361 119.800 -0.109 0.000 2.050 955 Q HA -0.236 4.103 4.340 -0.000 0.000 0.202 955 Q C 2.256 178.277 176.000 0.034 0.000 0.980 955 Q CA 1.921 57.670 55.803 -0.090 0.000 0.840 955 Q CB -0.077 28.535 28.738 -0.211 0.000 0.898 955 Q HN 0.361 nan 8.270 nan 0.000 0.424 956 Y N 0.673 120.988 120.300 0.025 0.000 2.049 956 Y HA -0.217 4.333 4.550 -0.000 0.000 0.277 956 Y C 2.663 178.607 175.900 0.074 0.000 1.143 956 Y CA 1.586 59.700 58.100 0.023 0.000 1.115 956 Y CB -1.337 37.116 38.460 -0.011 0.000 0.975 956 Y HN 0.136 nan 8.280 nan 0.000 0.487 957 T N -0.424 114.283 114.554 0.255 0.000 2.635 957 T HA -0.342 4.008 4.350 -0.000 0.000 0.265 957 T C 2.243 177.132 174.700 0.316 0.000 1.058 957 T CA 2.181 64.449 62.100 0.280 0.000 1.162 957 T CB -0.864 68.159 68.868 0.257 0.000 0.859 957 T HN 0.380 nan 8.240 nan 0.000 0.449 958 S N 0.548 116.379 115.700 0.218 0.000 2.359 958 S HA -0.222 4.247 4.470 -0.000 0.000 0.223 958 S C 2.229 176.925 174.600 0.160 0.000 1.039 958 S CA 1.870 60.172 58.200 0.172 0.000 1.042 958 S CB -0.409 62.861 63.200 0.117 0.000 0.915 958 S HN 0.608 nan 8.310 nan 0.000 0.439 959 Q N 0.021 119.919 119.800 0.162 0.000 2.135 959 Q HA -0.080 4.260 4.340 -0.000 0.000 0.204 959 Q C 2.200 178.273 176.000 0.121 0.000 0.981 959 Q CA 1.752 57.643 55.803 0.146 0.000 0.856 959 Q CB -0.305 28.523 28.738 0.151 0.000 0.902 959 Q HN 0.600 nan 8.270 nan 0.000 0.425 960 I N -0.169 120.498 120.570 0.160 0.000 2.226 960 I HA -0.322 3.848 4.170 -0.000 0.000 0.245 960 I C 2.328 178.482 176.117 0.061 0.000 1.100 960 I CA 0.643 62.030 61.300 0.144 0.000 1.374 960 I CB -0.339 37.820 38.000 0.264 0.000 1.057 960 I HN 0.323 nan 8.210 nan 0.000 0.413 961 C N 0.930 120.304 119.300 0.123 0.000 2.413 961 C HA -0.177 4.283 4.460 -0.000 0.000 0.276 961 C C 2.792 177.707 174.990 -0.125 0.000 1.248 961 C CA 0.977 59.952 59.018 -0.072 0.000 1.742 961 C CB -0.962 26.799 27.740 0.035 0.000 2.017 961 C HN 0.430 nan 8.230 nan 0.000 0.481 962 K N 0.415 120.801 120.400 -0.023 0.000 2.026 962 K HA -0.088 4.231 4.320 -0.000 0.000 0.208 962 K C 2.269 178.742 176.600 -0.213 0.000 1.048 962 K CA 1.666 57.941 56.287 -0.021 0.000 0.929 962 K CB -0.598 31.966 32.500 0.108 0.000 0.713 962 K HN 0.589 nan 8.250 nan 0.000 0.439 963 G N 1.291 109.929 108.800 -0.270 0.000 2.476 963 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 963 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 963 G C 1.445 176.205 174.900 -0.232 0.000 1.164 963 G CA 0.907 45.798 45.100 -0.349 0.000 0.768 963 G HN 0.076 nan 8.290 nan 0.000 0.560 964 M N 0.221 119.598 119.600 -0.372 0.000 2.156 964 M HA 0.070 4.550 4.480 -0.000 0.000 0.264 964 M C 2.228 178.264 176.300 -0.441 0.000 1.067 964 M CA 0.876 55.808 55.300 -0.613 0.000 1.131 964 M CB -1.199 30.438 32.600 -1.605 0.000 1.368 964 M HN 0.407 nan 8.290 nan 0.000 0.416 965 E N -0.110 119.904 120.200 -0.310 0.000 2.065 965 E HA -0.283 4.067 4.350 -0.000 0.000 0.201 965 E C 1.788 178.377 176.600 -0.018 0.000 1.016 965 E CA 1.601 57.975 56.400 -0.043 0.000 0.818 965 E CB -0.344 29.371 29.700 0.026 0.000 0.749 965 E HN 0.481 nan 8.360 nan 0.000 0.453 966 Y N 0.375 120.578 120.300 -0.162 0.000 2.738 966 Y HA -0.130 4.420 4.550 -0.000 0.000 0.293 966 Y C 1.433 177.282 175.900 -0.085 0.000 1.156 966 Y CA 1.145 59.177 58.100 -0.112 0.000 1.410 966 Y CB 0.008 38.331 38.460 -0.228 0.000 0.966 966 Y HN 0.157 nan 8.280 nan 0.000 0.568 967 L N -2.727 118.337 121.223 -0.264 0.000 3.122 967 L HA 0.320 4.659 4.340 -0.000 0.000 0.296 967 L C 2.111 178.883 176.870 -0.164 0.000 1.040 967 L CA 0.833 55.510 54.840 -0.271 0.000 1.164 967 L CB -0.543 41.487 42.059 -0.048 0.000 1.990 967 L HN 0.006 nan 8.230 nan 0.000 0.579 968 G N -0.471 108.290 108.800 -0.065 0.000 2.470 968 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.220 968 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.220 968 G C 0.906 175.736 174.900 -0.115 0.000 1.121 968 G CA 1.173 46.255 45.100 -0.030 0.000 0.766 968 G HN 0.275 nan 8.290 nan 0.000 0.553 969 T N 0.536 114.984 114.554 -0.177 0.000 4.029 969 T HA 0.320 4.670 4.350 -0.000 0.000 0.226 969 T C 0.763 175.281 174.700 -0.303 0.000 0.838 969 T CA 0.446 62.432 62.100 -0.188 0.000 0.907 969 T CB -0.477 68.306 68.868 -0.141 0.000 1.296 969 T HN 0.472 nan 8.240 nan 0.000 0.711 970 K N 0.727 120.933 120.400 -0.322 0.000 2.359 970 K HA -0.099 4.221 4.320 -0.000 0.000 0.135 970 K C 0.302 176.516 176.600 -0.644 0.000 1.328 970 K CA -0.170 55.795 56.287 -0.535 0.000 0.546 970 K CB -0.446 31.602 32.500 -0.754 0.000 3.037 970 K HN 0.304 nan 8.250 nan 0.000 0.677 971 R N -0.310 120.013 120.500 -0.296 0.000 3.741 971 R HA -0.215 4.124 4.340 -0.000 0.000 0.292 971 R C -1.021 175.297 176.300 0.031 0.000 1.176 971 R CA 1.422 57.458 56.100 -0.107 0.000 0.794 971 R CB -1.867 28.386 30.300 -0.078 0.000 1.213 971 R HN 0.139 nan 8.270 nan 0.000 0.494 972 Y N 0.869 121.167 120.300 -0.003 0.000 2.316 972 Y HA 0.305 4.854 4.550 -0.000 0.000 0.331 972 Y C 1.229 177.182 175.900 0.088 0.000 1.083 972 Y CA -1.636 56.484 58.100 0.034 0.000 1.206 972 Y CB 0.644 39.123 38.460 0.031 0.000 1.195 972 Y HN -0.050 nan 8.280 nan 0.000 0.497 973 I N 3.629 124.357 120.570 0.263 0.000 2.315 973 I HA 0.112 4.282 4.170 -0.000 0.000 0.291 973 I C 1.091 177.330 176.117 0.202 0.000 1.006 973 I CA -0.569 60.869 61.300 0.231 0.000 1.265 973 I CB 0.940 39.054 38.000 0.189 0.000 1.387 973 I HN 0.780 nan 8.210 nan 0.000 0.475 974 H N 7.459 126.624 119.070 0.159 0.000 2.284 974 H HA 0.024 4.580 4.556 -0.000 0.000 0.304 974 H C 0.801 176.146 175.328 0.029 0.000 1.069 974 H CA 2.280 58.391 56.048 0.106 0.000 1.327 974 H CB 0.383 30.198 29.762 0.089 0.000 1.387 974 H HN 0.633 nan 8.280 nan 0.000 0.498 975 R N -1.672 118.961 120.500 0.221 0.000 3.408 975 R HA -0.158 4.182 4.340 -0.000 0.000 0.494 975 R C -0.558 175.856 176.300 0.191 0.000 0.800 975 R CA 1.026 57.151 56.100 0.042 0.000 1.331 975 R CB -1.789 28.328 30.300 -0.303 0.000 2.035 975 R HN 0.482 nan 8.270 nan 0.000 0.464 976 D N 0.276 120.911 120.400 0.392 0.000 2.881 976 D HA 0.216 4.856 4.640 -0.000 0.000 0.325 976 D C -0.491 176.008 176.300 0.331 0.000 1.621 976 D CA -0.158 54.014 54.000 0.286 0.000 0.785 976 D CB 0.368 41.188 40.800 0.033 0.000 1.233 976 D HN 0.088 nan 8.370 nan 0.000 0.447 977 L N 1.409 122.807 121.223 0.290 0.000 2.513 977 L HA 0.488 4.828 4.340 -0.000 0.000 0.272 977 L C 0.392 177.294 176.870 0.054 0.000 1.187 977 L CA 0.365 55.231 54.840 0.043 0.000 0.895 977 L CB 0.565 42.729 42.059 0.174 0.000 1.147 977 L HN 0.238 nan 8.230 nan 0.000 0.483 978 A N 1.519 124.312 122.820 -0.045 0.000 2.583 978 A HA 0.407 4.727 4.320 -0.000 0.000 0.292 978 A C 0.407 177.981 177.584 -0.017 0.000 1.045 978 A CA -0.017 51.956 52.037 -0.108 0.000 0.672 978 A CB 0.838 19.442 19.000 -0.660 0.000 1.283 978 A HN 0.723 nan 8.150 nan 0.000 0.419 979 T N -1.083 113.524 114.554 0.088 0.000 2.995 979 T HA -0.129 4.221 4.350 -0.000 0.000 0.269 979 T C 1.522 176.225 174.700 0.004 0.000 1.091 979 T CA 1.448 63.581 62.100 0.055 0.000 1.128 979 T CB -0.473 68.454 68.868 0.098 0.000 0.891 979 T HN 0.904 nan 8.240 nan 0.000 0.492 980 R N 1.295 121.778 120.500 -0.028 0.000 2.241 980 R HA 0.072 4.412 4.340 -0.000 0.000 0.224 980 R C 1.216 177.480 176.300 -0.060 0.000 1.101 980 R CA 1.196 57.268 56.100 -0.046 0.000 0.995 980 R CB -0.472 29.776 30.300 -0.087 0.000 0.870 980 R HN 0.255 nan 8.270 nan 0.000 0.463 981 N N 0.385 119.039 118.700 -0.076 0.000 2.203 981 N HA 0.195 4.935 4.740 -0.000 0.000 0.207 981 N C -0.599 174.865 175.510 -0.078 0.000 1.130 981 N CA 0.092 53.098 53.050 -0.074 0.000 0.861 981 N CB 0.642 39.088 38.487 -0.069 0.000 1.005 981 N HN 0.169 nan 8.380 nan 0.000 0.507 982 I N 1.368 121.898 120.570 -0.066 0.000 2.412 982 I HA 0.359 4.529 4.170 -0.000 0.000 0.296 982 I C 0.097 176.169 176.117 -0.076 0.000 0.987 982 I CA -0.544 60.712 61.300 -0.074 0.000 1.180 982 I CB 1.752 39.705 38.000 -0.078 0.000 1.340 982 I HN -0.271 nan 8.210 nan 0.000 0.455 983 L N 5.114 126.289 121.223 -0.081 0.000 2.330 983 L HA 0.559 4.898 4.340 -0.000 0.000 0.271 983 L C -0.458 176.312 176.870 -0.167 0.000 1.013 983 L CA -1.048 53.736 54.840 -0.092 0.000 0.816 983 L CB 2.366 44.392 42.059 -0.055 0.000 1.287 983 L HN 0.221 nan 8.230 nan 0.000 0.435 984 V N 1.751 121.538 119.914 -0.212 0.000 2.333 984 V HA 0.131 4.251 4.120 -0.000 0.000 0.274 984 V C 0.842 176.803 176.094 -0.222 0.000 1.028 984 V CA -0.249 61.832 62.300 -0.364 0.000 0.851 984 V CB 1.130 32.545 31.823 -0.680 0.000 1.000 984 V HN 0.848 nan 8.190 nan 0.000 0.456 985 E N 4.049 124.131 120.200 -0.197 0.000 2.051 985 E HA -0.068 4.282 4.350 -0.000 0.000 0.189 985 E C 0.444 176.972 176.600 -0.120 0.000 0.979 985 E CA 1.304 57.645 56.400 -0.099 0.000 0.803 985 E CB 0.455 30.113 29.700 -0.071 0.000 0.761 985 E HN 0.971 nan 8.360 nan 0.000 0.451 986 N N -2.633 115.886 118.700 -0.302 0.000 3.277 986 N HA 0.029 4.769 4.740 -0.000 0.000 0.278 986 N C 0.100 175.323 175.510 -0.479 0.000 1.544 986 N CA -0.448 52.322 53.050 -0.466 0.000 0.869 986 N CB 0.432 38.797 38.487 -0.204 0.000 1.584 986 N HN -0.262 nan 8.380 nan 0.000 0.564 987 E N -0.441 119.525 120.200 -0.390 0.000 2.181 987 E HA -0.310 4.039 4.350 -0.000 0.000 0.225 987 E C 0.272 176.890 176.600 0.030 0.000 1.073 987 E CA 2.109 58.428 56.400 -0.135 0.000 0.916 987 E CB -0.357 29.307 29.700 -0.059 0.000 0.793 987 E HN 0.473 nan 8.360 nan 0.000 0.472 988 N N -0.106 118.594 118.700 -0.000 0.000 2.280 988 N HA 0.050 4.790 4.740 -0.000 0.000 0.192 988 N C -0.182 175.387 175.510 0.098 0.000 1.109 988 N CA 0.167 53.258 53.050 0.069 0.000 0.855 988 N CB 0.660 39.154 38.487 0.011 0.000 0.974 988 N HN 0.032 nan 8.380 nan 0.000 0.482 989 R N 0.844 121.364 120.500 0.033 0.000 2.533 989 R HA 0.343 4.683 4.340 -0.000 0.000 0.288 989 R C -1.253 174.982 176.300 -0.107 0.000 1.039 989 R CA -0.497 55.604 56.100 0.002 0.000 0.909 989 R CB 1.547 31.832 30.300 -0.024 0.000 1.195 989 R HN -0.143 nan 8.270 nan 0.000 0.438 990 V N 0.155 120.011 119.914 -0.095 0.000 2.919 990 V HA 0.706 4.826 4.120 -0.000 0.000 0.316 990 V C -0.848 175.216 176.094 -0.049 0.000 1.077 990 V CA -0.956 61.243 62.300 -0.168 0.000 0.977 990 V CB 2.008 33.666 31.823 -0.274 0.000 1.039 990 V HN 0.740 nan 8.190 nan 0.000 0.441 991 K N 2.759 123.133 120.400 -0.044 0.000 2.328 991 K HA 0.672 4.991 4.320 -0.000 0.000 0.246 991 K C -1.050 175.565 176.600 0.024 0.000 0.955 991 K CA -0.839 55.466 56.287 0.031 0.000 0.817 991 K CB 2.744 35.281 32.500 0.061 0.000 1.208 991 K HN 0.662 nan 8.250 nan 0.000 0.432 992 I N 1.300 121.912 120.570 0.069 0.000 2.533 992 I HA 0.056 4.226 4.170 -0.000 0.000 0.284 992 I C 1.080 177.255 176.117 0.097 0.000 1.109 992 I CA 0.339 61.648 61.300 0.015 0.000 1.412 992 I CB 0.591 38.602 38.000 0.018 0.000 1.396 992 I HN 0.953 nan 8.210 nan 0.000 0.543 993 G N 4.640 113.429 108.800 -0.019 0.000 3.441 993 G HA2 0.093 4.053 3.960 -0.000 0.000 0.263 993 G HA3 0.093 4.053 3.960 -0.000 0.000 0.263 993 G C -0.182 174.744 174.900 0.043 0.000 1.014 993 G CA 0.012 45.153 45.100 0.069 0.000 0.833 993 G HN 0.662 nan 8.290 nan 0.000 0.514 994 D N -0.740 119.555 120.400 -0.175 0.000 2.837 994 D HA 0.362 5.002 4.640 -0.000 0.000 0.220 994 D C -1.214 174.775 176.300 -0.519 0.000 1.236 994 D CA -0.510 53.414 54.000 -0.125 0.000 0.838 994 D CB 1.795 42.555 40.800 -0.068 0.000 1.647 994 D HN -0.075 nan 8.370 nan 0.000 0.486 995 F N 1.026 120.979 119.950 0.005 0.000 2.815 995 F HA 0.268 4.794 4.527 -0.000 0.000 0.323 995 F C 1.839 177.560 175.800 -0.131 0.000 1.151 995 F CA -0.429 57.503 58.000 -0.113 0.000 1.191 995 F CB 1.283 40.254 39.000 -0.047 0.000 1.069 995 F HN 0.528 nan 8.300 nan 0.000 0.514 996 G N 0.488 109.277 108.800 -0.018 0.000 2.475 996 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.220 996 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.220 996 G C 1.320 176.204 174.900 -0.027 0.000 1.125 996 G CA 0.873 45.983 45.100 0.016 0.000 0.755 996 G HN 0.381 nan 8.290 nan 0.000 0.565 997 L N 0.745 121.883 121.223 -0.141 0.000 2.857 997 L HA 0.186 4.526 4.340 -0.000 0.000 0.249 997 L C 0.272 177.039 176.870 -0.172 0.000 1.172 997 L CA -0.222 54.535 54.840 -0.139 0.000 0.980 997 L CB 0.399 42.359 42.059 -0.165 0.000 1.299 997 L HN -0.024 nan 8.230 nan 0.000 0.535 998 T N 1.907 116.366 114.554 -0.157 0.000 2.851 998 T HA 0.233 4.583 4.350 -0.000 0.000 0.298 998 T C 0.301 174.938 174.700 -0.104 0.000 0.977 998 T CA -0.004 62.024 62.100 -0.120 0.000 1.126 998 T CB 1.114 69.965 68.868 -0.029 0.000 0.916 998 T HN -0.002 nan 8.240 nan 0.000 0.529 999 K N 2.088 122.453 120.400 -0.057 0.000 2.281 999 K HA 0.594 4.914 4.320 -0.000 0.000 0.242 999 K C -0.742 175.892 176.600 0.057 0.000 0.971 999 K CA -0.818 55.454 56.287 -0.025 0.000 0.834 999 K CB 2.302 34.796 32.500 -0.010 0.000 1.181 999 K HN 0.275 nan 8.250 nan 0.000 0.435 1000 V N 2.809 122.772 119.914 0.081 0.000 2.439 1000 V HA 0.254 4.373 4.120 -0.000 0.000 0.282 1000 V C 0.595 176.763 176.094 0.123 0.000 1.039 1000 V CA -0.885 61.536 62.300 0.201 0.000 0.913 1000 V CB 1.081 33.024 31.823 0.201 0.000 0.983 1000 V HN 0.547 nan 8.190 nan 0.000 0.460 1001 L N 7.712 129.008 121.223 0.122 0.000 2.525 1001 L HA 0.172 4.512 4.340 -0.000 0.000 0.278 1001 L C -1.638 175.267 176.870 0.057 0.000 1.218 1001 L CA -1.167 53.721 54.840 0.080 0.000 0.878 1001 L CB 0.576 42.675 42.059 0.067 0.000 1.127 1001 L HN 0.471 nan 8.230 nan 0.000 0.492 1002 P HA -0.014 nan 4.420 nan 0.000 0.267 1002 P C -0.135 177.179 177.300 0.024 0.000 1.200 1002 P CA -0.145 62.974 63.100 0.032 0.000 0.772 1002 P CB 0.668 32.385 31.700 0.028 0.000 0.855 1003 Q N 1.054 120.864 119.800 0.017 0.000 2.181 1003 Q HA -0.174 4.166 4.340 -0.000 0.000 0.205 1003 Q C 1.439 177.444 176.000 0.009 0.000 0.980 1003 Q CA 1.785 57.594 55.803 0.010 0.000 0.862 1003 Q CB -0.139 28.603 28.738 0.006 0.000 0.905 1003 Q HN 0.636 nan 8.270 nan 0.000 0.429 1004 D N -0.794 119.612 120.400 0.010 0.000 2.349 1004 D HA -0.004 4.636 4.640 -0.000 0.000 0.215 1004 D C 0.469 176.775 176.300 0.010 0.000 1.016 1004 D CA 0.476 54.481 54.000 0.008 0.000 0.870 1004 D CB 0.379 41.183 40.800 0.007 0.000 0.917 1004 D HN -0.105 nan 8.370 nan 0.000 0.524 1005 K N 0.124 120.533 120.400 0.015 0.000 2.444 1005 K HA 0.398 4.718 4.320 -0.000 0.000 0.252 1005 K C -0.048 176.566 176.600 0.024 0.000 0.993 1005 K CA -0.582 55.715 56.287 0.018 0.000 0.847 1005 K CB 2.673 35.185 32.500 0.020 0.000 1.340 1005 K HN -0.093 nan 8.250 nan 0.000 0.446 1010 V N 1.637 121.656 119.914 0.174 0.000 3.160 1010 V HA 0.584 4.704 4.120 -0.000 0.000 0.310 1010 V C -1.200 174.986 176.094 0.154 0.000 1.181 1010 V CA -0.891 61.510 62.300 0.168 0.000 1.047 1010 V CB 2.506 34.445 31.823 0.194 0.000 1.068 1010 V HN 0.689 nan 8.190 nan 0.000 0.441 1011 K N 1.905 122.374 120.400 0.115 0.000 2.793 1011 K HA 0.467 4.786 4.320 -0.000 0.000 0.269 1011 K C -1.267 175.391 176.600 0.096 0.000 1.124 1011 K CA -0.212 56.128 56.287 0.089 0.000 1.074 1011 K CB 1.123 33.657 32.500 0.057 0.000 1.322 1011 K HN 0.735 nan 8.250 nan 0.000 0.532 1012 E N 3.167 123.439 120.200 0.119 0.000 2.195 1012 E HA 0.615 4.964 4.350 -0.000 0.000 0.271 1012 E C -2.341 174.348 176.600 0.149 0.000 0.923 1012 E CA -1.735 54.755 56.400 0.149 0.000 0.790 1012 E CB 1.213 31.011 29.700 0.163 0.000 1.155 1012 E HN 0.371 nan 8.360 nan 0.000 0.402 1013 P HA 0.590 nan 4.420 nan 0.000 0.275 1013 P C -0.413 177.065 177.300 0.297 0.000 1.502 1013 P CA -0.479 62.753 63.100 0.219 0.000 1.147 1013 P CB 1.384 33.207 31.700 0.205 0.000 1.161 1014 G N 2.489 111.389 108.800 0.167 0.000 2.272 1014 G HA2 0.045 4.005 3.960 -0.000 0.000 0.068 1014 G HA3 0.045 4.005 3.960 -0.000 0.000 0.068 1014 G C -1.464 173.443 174.900 0.011 0.000 1.073 1014 G CA -0.447 44.705 45.100 0.086 0.000 1.154 1014 G HN 0.597 nan 8.290 nan 0.000 0.429 1015 E N 0.852 121.018 120.200 -0.057 0.000 2.155 1015 E HA 0.709 5.059 4.350 -0.000 0.000 0.264 1015 E C -0.585 175.970 176.600 -0.075 0.000 0.886 1015 E CA -0.295 56.063 56.400 -0.069 0.000 0.752 1015 E CB 1.431 31.073 29.700 -0.096 0.000 1.133 1015 E HN 0.449 nan 8.360 nan 0.000 0.414 1016 S N 5.436 121.089 115.700 -0.079 0.000 2.554 1016 S HA 0.426 4.895 4.470 -0.000 0.000 0.278 1016 S C -2.252 172.162 174.600 -0.310 0.000 1.242 1016 S CA -1.288 56.825 58.200 -0.145 0.000 1.051 1016 S CB 1.142 64.302 63.200 -0.067 0.000 0.986 1016 S HN 0.472 nan 8.310 nan 0.000 0.502 1017 P HA 0.177 nan 4.420 nan 0.000 0.230 1017 P C 0.690 177.726 177.300 -0.440 0.000 1.791 1017 P CA -0.194 62.754 63.100 -0.252 0.000 1.020 1017 P CB -0.766 30.838 31.700 -0.160 0.000 1.977 1018 I N -3.742 116.508 120.570 -0.534 0.000 2.493 1018 I HA -0.126 4.044 4.170 -0.000 0.000 0.254 1018 I C 1.274 177.146 176.117 -0.408 0.000 1.160 1018 I CA 1.205 62.089 61.300 -0.692 0.000 1.445 1018 I CB -1.026 36.590 38.000 -0.639 0.000 1.086 1018 I HN -0.141 nan 8.210 nan 0.000 0.433 1019 F N 0.071 119.991 119.950 -0.050 0.000 2.771 1019 F HA 0.045 4.572 4.527 -0.000 0.000 0.299 1019 F C 1.724 177.487 175.800 -0.062 0.000 1.177 1019 F CA 0.573 58.484 58.000 -0.149 0.000 1.450 1019 F CB -0.359 38.595 39.000 -0.076 0.000 1.114 1019 F HN 0.229 nan 8.300 nan 0.000 0.587 1020 W N -1.993 119.422 121.300 0.192 0.000 3.127 1020 W HA 0.125 4.785 4.660 0.001 0.000 0.344 1020 W C -0.157 176.685 176.519 0.538 0.000 1.151 1020 W CA -0.129 57.438 57.345 0.370 0.000 1.765 1020 W CB 0.164 29.823 29.460 0.333 0.000 1.085 1020 W HN -0.235 nan 8.180 nan 0.000 0.596 1021 Y N 1.381 121.837 120.300 0.259 0.000 2.313 1021 Y HA 0.423 4.973 4.550 -0.000 0.000 0.332 1021 Y C 0.879 176.476 175.900 -0.505 0.000 1.071 1021 Y CA -1.629 56.480 58.100 0.016 0.000 1.169 1021 Y CB 0.308 38.724 38.460 -0.072 0.000 1.192 1021 Y HN -0.219 nan 8.280 nan 0.000 0.487 1022 A N 6.775 129.169 122.820 -0.710 0.000 2.547 1022 A HA 0.128 4.448 4.320 -0.000 0.000 0.233 1022 A C -1.480 175.533 177.584 -0.953 0.000 1.067 1022 A CA -0.850 50.323 52.037 -1.441 0.000 0.763 1022 A CB -0.246 18.339 19.000 -0.693 0.000 1.007 1022 A HN 0.618 nan 8.150 nan 0.000 0.506 1023 P HA -0.207 nan 4.420 nan 0.000 0.216 1023 P C 1.286 178.341 177.300 -0.408 0.000 1.153 1023 P CA 1.659 64.425 63.100 -0.556 0.000 0.858 1023 P CB 0.051 31.493 31.700 -0.430 0.000 0.789 1024 E N -0.465 119.498 120.200 -0.395 0.000 2.409 1024 E HA -0.067 4.282 4.350 -0.000 0.000 0.198 1024 E C 1.409 177.738 176.600 -0.451 0.000 1.024 1024 E CA 1.069 57.269 56.400 -0.334 0.000 0.861 1024 E CB -0.989 28.556 29.700 -0.257 0.000 0.788 1024 E HN 0.162 nan 8.360 nan 0.000 0.521 1025 S N 0.703 116.037 115.700 -0.610 0.000 2.395 1025 S HA 0.117 4.587 4.470 -0.000 0.000 0.225 1025 S C 2.024 176.320 174.600 -0.506 0.000 1.027 1025 S CA 0.428 58.083 58.200 -0.909 0.000 0.965 1025 S CB -0.066 62.398 63.200 -1.227 0.000 0.812 1025 S HN 0.215 nan 8.310 nan 0.000 0.482 1026 L N 1.269 122.293 121.223 -0.332 0.000 2.095 1026 L HA -0.050 4.290 4.340 -0.000 0.000 0.204 1026 L C 2.879 179.615 176.870 -0.223 0.000 1.080 1026 L CA 1.516 56.236 54.840 -0.201 0.000 0.759 1026 L CB -1.000 40.919 42.059 -0.235 0.000 0.914 1026 L HN 0.444 nan 8.230 nan 0.000 0.439 1027 T N -3.660 110.758 114.554 -0.227 0.000 2.894 1027 T HA -0.083 4.267 4.350 -0.000 0.000 0.258 1027 T C 1.491 176.110 174.700 -0.135 0.000 1.043 1027 T CA 0.815 62.817 62.100 -0.163 0.000 1.141 1027 T CB 0.013 68.798 68.868 -0.139 0.000 0.873 1027 T HN 0.251 nan 8.240 nan 0.000 0.449 1028 E N 0.309 120.403 120.200 -0.178 0.000 2.601 1028 E HA 0.313 4.663 4.350 -0.000 0.000 0.219 1028 E C -0.408 176.099 176.600 -0.155 0.000 0.964 1028 E CA -0.290 56.024 56.400 -0.143 0.000 1.050 1028 E CB 0.643 30.256 29.700 -0.145 0.000 1.068 1028 E HN 0.243 nan 8.360 nan 0.000 0.496 1029 S N 1.800 117.375 115.700 -0.208 0.000 3.292 1029 S HA -0.223 4.247 4.470 -0.000 0.000 0.360 1029 S C -0.189 174.236 174.600 -0.291 0.000 0.930 1029 S CA 0.985 59.050 58.200 -0.225 0.000 1.317 1029 S CB -0.837 62.375 63.200 0.021 0.000 0.920 1029 S HN 0.232 nan 8.310 nan 0.000 0.540 1030 K N 1.663 121.694 120.400 -0.616 0.000 2.616 1030 K HA 0.520 4.840 4.320 -0.000 0.000 0.241 1030 K C -1.248 175.055 176.600 -0.494 0.000 0.961 1030 K CA -0.400 55.660 56.287 -0.378 0.000 0.942 1030 K CB 0.628 32.979 32.500 -0.248 0.000 1.153 1030 K HN 0.196 nan 8.250 nan 0.000 0.452 1031 F N 1.581 121.488 119.950 -0.072 0.000 2.458 1031 F HA 0.433 4.960 4.527 -0.000 0.000 0.336 1031 F C 0.626 176.426 175.800 -0.000 0.000 1.114 1031 F CA -0.203 57.763 58.000 -0.057 0.000 0.987 1031 F CB 2.052 41.017 39.000 -0.059 0.000 1.130 1031 F HN 0.505 nan 8.300 nan 0.000 0.458 1032 S N 0.567 116.388 115.700 0.201 0.000 2.998 1032 S HA 0.502 4.972 4.470 -0.000 0.000 0.321 1032 S C 0.210 174.927 174.600 0.194 0.000 1.171 1032 S CA -0.662 57.630 58.200 0.153 0.000 0.882 1032 S CB 1.176 64.426 63.200 0.083 0.000 1.301 1032 S HN 0.194 nan 8.310 nan 0.000 0.629 1033 V N 1.241 121.253 119.914 0.163 0.000 2.453 1033 V HA 0.038 4.157 4.120 -0.000 0.000 0.247 1033 V C 2.844 179.031 176.094 0.156 0.000 1.048 1033 V CA 2.136 64.558 62.300 0.205 0.000 1.049 1033 V CB -1.303 30.618 31.823 0.162 0.000 0.672 1033 V HN 0.939 nan 8.190 nan 0.000 0.457 1034 A N 0.472 123.348 122.820 0.093 0.000 2.066 1034 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 1034 A C 2.425 180.103 177.584 0.155 0.000 1.157 1034 A CA 1.751 53.829 52.037 0.067 0.000 0.670 1034 A CB -0.419 18.607 19.000 0.043 0.000 0.804 1034 A HN 0.666 nan 8.150 nan 0.000 0.453 1035 S N -0.491 115.315 115.700 0.177 0.000 2.458 1035 S HA -0.069 4.401 4.470 -0.000 0.000 0.223 1035 S C 1.244 176.074 174.600 0.384 0.000 1.019 1035 S CA 0.844 59.182 58.200 0.231 0.000 0.937 1035 S CB -0.228 63.015 63.200 0.072 0.000 0.788 1035 S HN 0.425 nan 8.310 nan 0.000 0.511 1036 D N 2.065 122.698 120.400 0.388 0.000 2.117 1036 D HA -0.031 4.609 4.640 -0.000 0.000 0.197 1036 D C 2.095 178.738 176.300 0.571 0.000 0.987 1036 D CA 0.881 55.190 54.000 0.514 0.000 0.829 1036 D CB -0.525 40.621 40.800 0.577 0.000 0.961 1036 D HN 0.275 nan 8.370 nan 0.000 0.460 1037 V N 1.068 121.139 119.914 0.261 0.000 2.287 1037 V HA -0.232 3.887 4.120 -0.000 0.000 0.248 1037 V C 2.213 178.510 176.094 0.337 0.000 1.053 1037 V CA 1.561 63.860 62.300 -0.002 0.000 1.027 1037 V CB -0.532 31.083 31.823 -0.347 0.000 0.646 1037 V HN 0.404 nan 8.190 nan 0.000 0.447 1038 W N 1.124 122.567 121.300 0.238 0.000 2.302 1038 W HA -0.261 4.399 4.660 -0.000 0.000 0.320 1038 W C 2.531 179.355 176.519 0.508 0.000 1.241 1038 W CA 2.493 60.059 57.345 0.368 0.000 1.264 1038 W CB -0.684 28.947 29.460 0.285 0.000 1.154 1038 W HN 0.337 nan 8.180 nan 0.000 0.483 1039 S N 0.427 116.614 115.700 0.813 0.000 2.402 1039 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 1039 S C 1.530 176.517 174.600 0.646 0.000 1.021 1039 S CA 1.338 60.008 58.200 0.782 0.000 0.974 1039 S CB -0.978 62.667 63.200 0.742 0.000 0.800 1039 S HN 0.349 nan 8.310 nan 0.000 0.484 1040 F N 2.773 122.992 119.950 0.449 0.000 2.126 1040 F HA -0.091 4.436 4.527 -0.000 0.000 0.299 1040 F C 2.283 178.237 175.800 0.257 0.000 1.096 1040 F CA 1.418 59.638 58.000 0.367 0.000 1.255 1040 F CB -0.905 38.368 39.000 0.455 0.000 0.997 1040 F HN 0.234 nan 8.300 nan 0.000 0.479 1041 G N -0.036 108.923 108.800 0.265 0.000 2.442 1041 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 1041 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 1041 G C 1.676 176.714 174.900 0.230 0.000 1.141 1041 G CA 1.281 46.313 45.100 -0.114 0.000 0.763 1041 G HN 0.371 nan 8.290 nan 0.000 0.554 1042 V N 0.394 120.615 119.914 0.512 0.000 2.427 1042 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 1042 V C 2.992 179.307 176.094 0.368 0.000 1.051 1042 V CA 1.303 63.850 62.300 0.412 0.000 1.048 1042 V CB -0.305 31.572 31.823 0.090 0.000 0.666 1042 V HN 0.251 nan 8.190 nan 0.000 0.456 1043 V N -0.210 119.892 119.914 0.312 0.000 2.287 1043 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 1043 V C 2.408 178.533 176.094 0.052 0.000 1.053 1043 V CA 2.207 64.631 62.300 0.207 0.000 1.027 1043 V CB -0.601 31.269 31.823 0.079 0.000 0.646 1043 V HN 0.490 nan 8.190 nan 0.000 0.447 1044 L N -0.624 120.518 121.223 -0.135 0.000 2.012 1044 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 1044 L C 2.298 179.270 176.870 0.169 0.000 1.073 1044 L CA 2.224 57.025 54.840 -0.065 0.000 0.748 1044 L CB -1.003 40.908 42.059 -0.248 0.000 0.891 1044 L HN 0.492 nan 8.230 nan 0.000 0.431 1045 Y N 0.838 121.198 120.300 0.100 0.000 2.040 1045 Y HA -0.367 4.183 4.550 -0.001 0.000 0.275 1045 Y C 2.430 178.416 175.900 0.144 0.000 1.171 1045 Y CA 2.499 60.710 58.100 0.185 0.000 1.123 1045 Y CB -0.410 38.240 38.460 0.317 0.000 0.963 1045 Y HN 0.394 nan 8.280 nan 0.000 0.493 1046 E N 0.213 120.510 120.200 0.161 0.000 2.097 1046 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 1046 E C 2.285 178.832 176.600 -0.089 0.000 1.000 1046 E CA 1.601 58.027 56.400 0.043 0.000 0.804 1046 E CB -0.399 29.442 29.700 0.236 0.000 0.740 1046 E HN 0.537 nan 8.360 nan 0.000 0.454 1047 L N -0.414 120.766 121.223 -0.071 0.000 2.042 1047 L HA -0.187 4.152 4.340 -0.000 0.000 0.210 1047 L C 1.915 178.445 176.870 -0.566 0.000 1.076 1047 L CA 1.227 55.922 54.840 -0.241 0.000 0.749 1047 L CB -0.244 41.693 42.059 -0.204 0.000 0.893 1047 L HN 0.138 nan 8.230 nan 0.000 0.432 1048 F N -0.886 118.823 119.950 -0.401 0.000 2.727 1048 F HA -0.009 4.518 4.527 -0.000 0.000 0.302 1048 F C 2.306 177.863 175.800 -0.404 0.000 1.097 1048 F CA 0.634 58.361 58.000 -0.456 0.000 1.330 1048 F CB -0.066 38.758 39.000 -0.294 0.000 1.084 1048 F HN 0.064 nan 8.300 nan 0.000 0.578 1049 T N -4.612 109.762 114.554 -0.300 0.000 3.065 1049 T HA -0.065 4.285 4.350 -0.000 0.000 0.252 1049 T C 0.499 175.211 174.700 0.020 0.000 1.099 1049 T CA 0.169 62.155 62.100 -0.190 0.000 1.063 1049 T CB -0.710 67.945 68.868 -0.356 0.000 0.948 1049 T HN 0.246 nan 8.240 nan 0.000 0.506 1050 Y N 2.135 122.402 120.300 -0.055 0.000 3.721 1050 Y HA -0.204 4.345 4.550 -0.001 0.000 0.218 1050 Y C 0.702 176.598 175.900 -0.007 0.000 1.188 1050 Y CA 0.119 58.204 58.100 -0.025 0.000 1.607 1050 Y CB -2.498 35.950 38.460 -0.021 0.000 1.496 1050 Y HN 0.303 nan 8.280 nan 0.000 0.626 1051 I N -1.779 118.841 120.570 0.084 0.000 6.267 1051 I HA -0.335 3.835 4.170 -0.000 0.000 0.126 1051 I C 0.989 177.156 176.117 0.083 0.000 1.812 1051 I CA 1.252 62.606 61.300 0.090 0.000 2.110 1051 I CB -1.903 36.160 38.000 0.106 0.000 3.441 1051 I HN 0.628 nan 8.210 nan 0.000 0.191 1052 E N 1.729 121.975 120.200 0.077 0.000 2.502 1052 E HA -0.031 4.318 4.350 -0.000 0.000 0.261 1052 E C 1.316 177.944 176.600 0.047 0.000 0.974 1052 E CA 0.134 56.567 56.400 0.055 0.000 0.936 1052 E CB 0.768 30.498 29.700 0.050 0.000 0.926 1052 E HN 0.334 nan 8.360 nan 0.000 0.459 1053 K N 1.418 121.840 120.400 0.037 0.000 2.001 1053 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 1053 K C 2.018 178.635 176.600 0.029 0.000 1.048 1053 K CA 1.608 57.917 56.287 0.036 0.000 0.932 1053 K CB -0.044 32.471 32.500 0.025 0.000 0.715 1053 K HN 0.512 nan 8.250 nan 0.000 0.437 1054 S N 1.203 116.914 115.700 0.020 0.000 2.469 1054 S HA -0.053 4.416 4.470 -0.000 0.000 0.238 1054 S C 1.390 175.999 174.600 0.016 0.000 0.998 1054 S CA 0.987 59.193 58.200 0.011 0.000 0.957 1054 S CB -0.045 63.159 63.200 0.007 0.000 0.764 1054 S HN 0.139 nan 8.310 nan 0.000 0.514 1055 K N 1.938 122.359 120.400 0.036 0.000 2.353 1055 K HA 0.240 4.560 4.320 -0.000 0.000 0.195 1055 K C 0.842 177.526 176.600 0.140 0.000 1.031 1055 K CA 0.257 56.585 56.287 0.068 0.000 1.079 1055 K CB 0.060 32.580 32.500 0.033 0.000 0.857 1055 K HN 0.579 nan 8.250 nan 0.000 0.535 1056 S N 1.755 117.514 115.700 0.099 0.000 2.559 1056 S HA 0.027 4.497 4.470 -0.000 0.000 0.282 1056 S C -1.776 172.838 174.600 0.023 0.000 1.336 1056 S CA -0.653 57.620 58.200 0.122 0.000 1.037 1056 S CB 0.816 64.073 63.200 0.094 0.000 0.853 1056 S HN -0.148 nan 8.310 nan 0.000 0.523 1057 P HA -0.043 nan 4.420 nan 0.000 0.214 1057 P C -1.453 175.655 177.300 -0.320 0.000 1.163 1057 P CA 1.414 64.334 63.100 -0.300 0.000 0.889 1057 P CB -1.156 30.188 31.700 -0.593 0.000 0.790 1058 P HA -0.208 nan 4.420 nan 0.000 0.215 1058 P C 1.474 178.439 177.300 -0.559 0.000 1.157 1058 P CA 2.290 64.829 63.100 -0.935 0.000 0.874 1058 P CB -0.699 30.779 31.700 -0.369 0.000 0.790 1059 A N -0.414 122.250 122.820 -0.259 0.000 1.930 1059 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 1059 A C 2.224 179.719 177.584 -0.149 0.000 1.175 1059 A CA 1.446 53.393 52.037 -0.150 0.000 0.627 1059 A CB -0.961 17.997 19.000 -0.069 0.000 0.815 1059 A HN 0.078 nan 8.150 nan 0.000 0.443 1060 E N -0.974 119.108 120.200 -0.198 0.000 2.112 1060 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 1060 E C 1.687 178.120 176.600 -0.278 0.000 0.979 1060 E CA 0.711 56.967 56.400 -0.240 0.000 0.814 1060 E CB -0.318 29.185 29.700 -0.327 0.000 0.762 1060 E HN 0.640 nan 8.360 nan 0.000 0.460 1061 F N 0.592 120.412 119.950 -0.217 0.000 2.113 1061 F HA -0.147 4.380 4.527 0.000 0.000 0.297 1061 F C 2.392 178.174 175.800 -0.031 0.000 1.103 1061 F CA 0.848 58.795 58.000 -0.088 0.000 1.248 1061 F CB -0.394 38.646 39.000 0.066 0.000 0.999 1061 F HN 0.004 nan 8.300 nan 0.000 0.475 1062 M N -0.144 119.493 119.600 0.060 0.000 2.082 1062 M HA -0.215 4.264 4.480 -0.000 0.000 0.258 1062 M C 2.265 178.584 176.300 0.031 0.000 1.069 1062 M CA 1.484 56.816 55.300 0.054 0.000 1.102 1062 M CB -1.198 31.384 32.600 -0.032 0.000 1.336 1062 M HN 0.068 nan 8.290 nan 0.000 0.404 1063 R N -0.769 119.724 120.500 -0.012 0.000 2.083 1063 R HA -0.134 4.205 4.340 -0.000 0.000 0.237 1063 R C 2.225 178.523 176.300 -0.004 0.000 1.137 1063 R CA 1.674 57.763 56.100 -0.018 0.000 0.951 1063 R CB -0.250 30.025 30.300 -0.042 0.000 0.851 1063 R HN 0.378 nan 8.270 nan 0.000 0.434 1064 M N -0.188 119.414 119.600 0.004 0.000 2.229 1064 M HA -0.123 4.356 4.480 -0.000 0.000 0.264 1064 M C 1.958 178.287 176.300 0.048 0.000 1.063 1064 M CA 1.383 56.695 55.300 0.020 0.000 1.114 1064 M CB 0.011 32.623 32.600 0.019 0.000 1.387 1064 M HN 0.159 nan 8.290 nan 0.000 0.420 1065 I N -0.178 120.437 120.570 0.075 0.000 3.251 1065 I HA 0.058 4.228 4.170 -0.000 0.000 0.277 1065 I C 0.810 176.906 176.117 -0.036 0.000 1.268 1065 I CA 0.065 61.391 61.300 0.044 0.000 1.449 1065 I CB -0.542 37.520 38.000 0.104 0.000 1.083 1065 I HN 0.414 nan 8.210 nan 0.000 0.464 1066 G N 1.833 110.625 108.800 -0.014 0.000 2.879 1066 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.686 1066 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.686 1066 G C -0.157 174.734 174.900 -0.016 0.000 1.115 1066 G CA -0.712 44.371 45.100 -0.028 0.000 0.770 1066 G HN 0.238 nan 8.290 nan 0.000 0.601 1067 N N 1.085 119.781 118.700 -0.007 0.000 2.410 1067 N HA 0.062 4.801 4.740 -0.000 0.000 0.231 1067 N C 1.109 176.623 175.510 0.005 0.000 1.172 1067 N CA 0.866 53.919 53.050 0.005 0.000 0.849 1067 N CB 0.375 38.864 38.487 0.004 0.000 1.116 1067 N HN 0.769 nan 8.380 nan 0.000 0.485 1068 D N -1.202 119.195 120.400 -0.006 0.000 2.514 1068 D HA -0.033 4.606 4.640 -0.000 0.000 0.249 1068 D C 0.787 177.092 176.300 0.007 0.000 1.036 1068 D CA 0.301 54.301 54.000 0.000 0.000 0.911 1068 D CB -0.712 40.083 40.800 -0.008 0.000 1.145 1068 D HN -0.036 nan 8.370 nan 0.000 0.495 1069 K N 1.479 121.863 120.400 -0.027 0.000 3.072 1069 K HA -0.224 4.096 4.320 -0.000 0.000 0.240 1069 K C 0.959 177.608 176.600 0.082 0.000 1.210 1069 K CA 1.362 57.650 56.287 0.001 0.000 1.234 1069 K CB -2.047 30.447 32.500 -0.010 0.000 1.244 1069 K HN 0.605 nan 8.250 nan 0.000 0.500 1070 Q N 0.464 120.319 119.800 0.090 0.000 2.084 1070 Q HA 0.084 4.424 4.340 -0.000 0.000 0.194 1070 Q C 2.676 178.734 176.000 0.097 0.000 0.969 1070 Q CA 0.927 56.779 55.803 0.081 0.000 0.829 1070 Q CB 0.030 28.806 28.738 0.063 0.000 0.904 1070 Q HN 0.743 nan 8.270 nan 0.000 0.464 1071 G N 0.618 109.488 108.800 0.117 0.000 2.721 1071 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.218 1071 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.218 1071 G C 0.550 175.506 174.900 0.092 0.000 1.265 1071 G CA 1.796 46.959 45.100 0.105 0.000 0.796 1071 G HN 0.529 nan 8.290 nan 0.000 0.620 1072 Q N -2.989 116.871 119.800 0.100 0.000 4.846 1072 Q HA -0.194 4.145 4.340 -0.000 0.000 0.240 1072 Q C 1.913 178.037 176.000 0.206 0.000 1.012 1072 Q CA 1.158 57.026 55.803 0.108 0.000 0.909 1072 Q CB -1.507 27.293 28.738 0.104 0.000 0.692 1072 Q HN 0.408 nan 8.270 nan 0.000 1.055 1073 M N 0.531 120.257 119.600 0.210 0.000 2.255 1073 M HA -0.126 4.354 4.480 -0.000 0.000 0.259 1073 M C 2.064 178.540 176.300 0.294 0.000 1.071 1073 M CA 1.587 57.038 55.300 0.252 0.000 1.074 1073 M CB -0.823 31.926 32.600 0.249 0.000 1.384 1073 M HN 0.354 nan 8.290 nan 0.000 0.415 1074 I N -0.366 120.334 120.570 0.217 0.000 2.099 1074 I HA -0.294 3.876 4.170 -0.000 0.000 0.239 1074 I C 2.320 178.459 176.117 0.037 0.000 1.066 1074 I CA 1.256 62.658 61.300 0.170 0.000 1.324 1074 I CB -0.473 37.596 38.000 0.115 0.000 1.037 1074 I HN 0.044 nan 8.210 nan 0.000 0.401 1075 V N 0.421 120.266 119.914 -0.115 0.000 2.317 1075 V HA -0.325 3.795 4.120 -0.000 0.000 0.251 1075 V C 2.203 178.110 176.094 -0.313 0.000 1.065 1075 V CA 2.077 64.184 62.300 -0.322 0.000 1.049 1075 V CB -0.949 30.594 31.823 -0.466 0.000 0.651 1075 V HN 0.258 nan 8.190 nan 0.000 0.450 1076 F N -0.973 118.910 119.950 -0.112 0.000 2.293 1076 F HA 0.023 4.550 4.527 -0.001 0.000 0.297 1076 F C 2.499 178.192 175.800 -0.178 0.000 1.089 1076 F CA 1.143 59.047 58.000 -0.160 0.000 1.377 1076 F CB -0.550 38.328 39.000 -0.203 0.000 1.051 1076 F HN 0.198 nan 8.300 nan 0.000 0.511 1077 H N -0.768 118.381 119.070 0.132 0.000 2.428 1077 H HA -0.066 4.490 4.556 -0.000 0.000 0.296 1077 H C 2.223 177.571 175.328 0.034 0.000 1.062 1077 H CA 1.047 57.143 56.048 0.081 0.000 1.350 1077 H CB -0.402 29.411 29.762 0.084 0.000 1.403 1077 H HN 0.196 nan 8.280 nan 0.000 0.533 1078 L N 1.099 122.364 121.223 0.070 0.000 1.994 1078 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 1078 L C 2.323 179.138 176.870 -0.091 0.000 1.071 1078 L CA 1.313 56.109 54.840 -0.074 0.000 0.745 1078 L CB -0.929 40.953 42.059 -0.295 0.000 0.892 1078 L HN 0.091 nan 8.230 nan 0.000 0.431 1079 I N -0.496 120.003 120.570 -0.118 0.000 2.118 1079 I HA -0.312 3.858 4.170 -0.000 0.000 0.241 1079 I C 2.554 178.655 176.117 -0.026 0.000 1.070 1079 I CA 1.480 62.716 61.300 -0.106 0.000 1.327 1079 I CB -0.462 37.473 38.000 -0.109 0.000 1.034 1079 I HN 0.350 nan 8.210 nan 0.000 0.405 1080 E N 0.377 120.591 120.200 0.023 0.000 2.077 1080 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 1080 E C 2.124 178.764 176.600 0.067 0.000 0.989 1080 E CA 1.301 57.731 56.400 0.050 0.000 0.800 1080 E CB -0.298 29.444 29.700 0.071 0.000 0.746 1080 E HN 0.353 nan 8.360 nan 0.000 0.452 1081 L N 0.747 122.022 121.223 0.087 0.000 2.027 1081 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 1081 L C 2.300 179.237 176.870 0.113 0.000 1.074 1081 L CA 1.339 56.247 54.840 0.113 0.000 0.745 1081 L CB -0.485 41.669 42.059 0.157 0.000 0.898 1081 L HN 0.059 nan 8.230 nan 0.000 0.433 1082 L N -0.248 121.028 121.223 0.089 0.000 2.042 1082 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 1082 L C 2.679 179.608 176.870 0.098 0.000 1.076 1082 L CA 1.869 56.778 54.840 0.115 0.000 0.749 1082 L CB -0.816 41.269 42.059 0.044 0.000 0.893 1082 L HN 0.341 nan 8.230 nan 0.000 0.432 1083 K N 0.315 120.745 120.400 0.050 0.000 2.152 1083 K HA -0.163 4.156 4.320 -0.000 0.000 0.206 1083 K C 1.225 177.860 176.600 0.059 0.000 1.048 1083 K CA 1.346 57.659 56.287 0.043 0.000 0.933 1083 K CB 0.042 32.555 32.500 0.022 0.000 0.721 1083 K HN 0.285 nan 8.250 nan 0.000 0.447 1084 N N 1.689 120.430 118.700 0.067 0.000 2.370 1084 N HA -0.010 4.730 4.740 -0.000 0.000 0.198 1084 N C -0.662 174.894 175.510 0.076 0.000 1.156 1084 N CA 0.211 53.300 53.050 0.066 0.000 0.839 1084 N CB 0.143 38.669 38.487 0.065 0.000 0.989 1084 N HN 0.180 nan 8.380 nan 0.000 0.468 1085 N N -0.008 118.750 118.700 0.096 0.000 2.758 1085 N HA -0.124 4.616 4.740 -0.000 0.000 0.248 1085 N C 0.091 175.663 175.510 0.105 0.000 1.076 1085 N CA 0.946 54.062 53.050 0.109 0.000 0.696 1085 N CB -1.295 37.246 38.487 0.091 0.000 0.979 1085 N HN 0.320 nan 8.380 nan 0.000 0.550 1086 G N 0.174 109.043 108.800 0.115 0.000 2.390 1086 G HA2 0.541 4.501 3.960 -0.000 0.000 0.270 1086 G HA3 0.541 4.501 3.960 -0.000 0.000 0.270 1086 G C 0.336 175.298 174.900 0.105 0.000 1.211 1086 G CA -0.238 44.925 45.100 0.103 0.000 0.842 1086 G HN 0.098 nan 8.290 nan 0.000 0.519 1087 R N 0.980 121.486 120.500 0.010 0.000 2.836 1087 R HA 0.375 4.715 4.340 -0.000 0.000 0.269 1087 R C -0.173 175.915 176.300 -0.354 0.000 1.010 1087 R CA -1.165 54.861 56.100 -0.123 0.000 0.930 1087 R CB 1.268 31.584 30.300 0.028 0.000 1.218 1087 R HN 0.461 nan 8.270 nan 0.000 0.473 1088 L N 3.877 124.663 121.223 -0.728 0.000 2.514 1088 L HA 0.119 4.459 4.340 -0.000 0.000 0.280 1088 L C -1.533 175.254 176.870 -0.137 0.000 1.223 1088 L CA -0.927 53.445 54.840 -0.779 0.000 0.864 1088 L CB 0.165 41.423 42.059 -1.335 0.000 1.118 1088 L HN 0.257 nan 8.230 nan 0.000 0.494 1089 P HA 0.107 nan 4.420 nan 0.000 0.278 1089 P C -0.969 176.425 177.300 0.157 0.000 1.258 1089 P CA -0.831 62.316 63.100 0.078 0.000 0.811 1089 P CB 0.644 32.340 31.700 -0.007 0.000 1.063 1090 R N 1.808 122.127 120.500 -0.301 0.000 2.446 1090 R HA 0.160 4.499 4.340 -0.000 0.000 0.314 1090 R C -1.908 174.275 176.300 -0.195 0.000 1.003 1090 R CA -1.200 54.503 56.100 -0.662 0.000 1.018 1090 R CB -0.791 28.825 30.300 -1.140 0.000 0.945 1090 R HN 0.342 nan 8.270 nan 0.000 0.419 1091 P HA -0.097 nan 4.420 nan 0.000 0.264 1091 P C -1.001 176.268 177.300 -0.052 0.000 1.179 1091 P CA 0.250 63.308 63.100 -0.070 0.000 0.763 1091 P CB 0.406 32.040 31.700 -0.109 0.000 0.806 1092 D N 2.269 122.665 120.400 -0.008 0.000 2.586 1092 D HA 0.113 4.753 4.640 -0.000 0.000 0.234 1092 D C 1.674 178.019 176.300 0.075 0.000 1.132 1092 D CA 2.010 56.021 54.000 0.019 0.000 0.860 1092 D CB -0.077 40.745 40.800 0.036 0.000 1.159 1092 D HN 0.690 nan 8.370 nan 0.000 0.490 1093 G N 2.430 111.265 108.800 0.058 0.000 2.184 1093 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.264 1093 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.264 1093 G C 0.764 175.730 174.900 0.110 0.000 0.975 1093 G CA 0.250 45.427 45.100 0.129 0.000 0.642 1093 G HN 0.744 nan 8.290 nan 0.000 0.536 1094 C N 3.152 122.435 119.300 -0.029 0.000 2.663 1094 C HA 0.483 4.943 4.460 -0.000 0.000 0.379 1094 C C -0.761 174.079 174.990 -0.250 0.000 1.255 1094 C CA -1.692 57.194 59.018 -0.221 0.000 1.503 1094 C CB -0.945 26.640 27.740 -0.258 0.000 2.187 1094 C HN 0.455 nan 8.230 nan 0.000 0.580 1095 P HA -0.105 nan 4.420 nan 0.000 0.267 1095 P C -0.289 176.888 177.300 -0.205 0.000 1.158 1095 P CA 1.054 64.030 63.100 -0.207 0.000 0.756 1095 P CB 0.372 31.924 31.700 -0.247 0.000 0.766 1096 D N 1.336 121.673 120.400 -0.106 0.000 3.035 1096 D HA 0.116 4.756 4.640 -0.000 0.000 0.290 1096 D C 0.607 176.901 176.300 -0.009 0.000 1.360 1096 D CA -0.164 53.808 54.000 -0.046 0.000 0.862 1096 D CB -0.212 40.568 40.800 -0.033 0.000 1.078 1096 D HN 0.564 nan 8.370 nan 0.000 0.487 1097 E N -0.610 119.562 120.200 -0.047 0.000 1.407 1097 E HA -0.150 4.200 4.350 -0.000 0.000 0.225 1097 E C 0.845 177.366 176.600 -0.131 0.000 1.060 1097 E CA -0.028 56.324 56.400 -0.080 0.000 1.268 1097 E CB -0.611 29.051 29.700 -0.064 0.000 4.512 1097 E HN 0.056 nan 8.360 nan 0.000 0.751 1098 I N 1.741 122.188 120.570 -0.204 0.000 2.181 1098 I HA -0.231 3.939 4.170 -0.000 0.000 0.247 1098 I C 2.397 178.343 176.117 -0.285 0.000 1.081 1098 I CA 1.983 63.084 61.300 -0.331 0.000 1.340 1098 I CB -1.595 35.958 38.000 -0.745 0.000 1.036 1098 I HN 0.400 nan 8.210 nan 0.000 0.417 1099 Y N 0.189 120.284 120.300 -0.341 0.000 2.490 1099 Y HA 0.054 4.604 4.550 0.000 0.000 0.285 1099 Y C 2.478 178.228 175.900 -0.250 0.000 1.117 1099 Y CA 0.775 58.699 58.100 -0.294 0.000 1.262 1099 Y CB -0.074 38.256 38.460 -0.217 0.000 1.043 1099 Y HN 0.002 nan 8.280 nan 0.000 0.553 1100 M N -0.587 118.856 119.600 -0.262 0.000 2.319 1100 M HA -0.136 4.343 4.480 -0.000 0.000 0.265 1100 M C 1.842 177.944 176.300 -0.330 0.000 1.068 1100 M CA 1.361 56.485 55.300 -0.294 0.000 1.118 1100 M CB -0.189 32.325 32.600 -0.143 0.000 1.395 1100 M HN 0.292 nan 8.290 nan 0.000 0.435 1101 I N 0.048 120.443 120.570 -0.292 0.000 2.179 1101 I HA -0.320 3.850 4.170 -0.000 0.000 0.242 1101 I C 2.427 178.279 176.117 -0.442 0.000 1.088 1101 I CA 1.429 62.570 61.300 -0.266 0.000 1.357 1101 I CB -0.336 37.575 38.000 -0.147 0.000 1.051 1101 I HN 0.323 nan 8.210 nan 0.000 0.409 1102 M N 0.384 119.601 119.600 -0.639 0.000 2.108 1102 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 1102 M C 2.467 177.822 176.300 -1.575 0.000 1.066 1102 M CA 2.596 57.179 55.300 -1.194 0.000 1.107 1102 M CB -0.688 31.191 32.600 -1.201 0.000 1.356 1102 M HN 0.442 nan 8.290 nan 0.000 0.406 1103 T N -2.267 111.662 114.554 -1.041 0.000 2.857 1103 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 1103 T C 1.514 175.974 174.700 -0.400 0.000 1.048 1103 T CA 1.265 62.986 62.100 -0.632 0.000 1.139 1103 T CB -0.453 68.136 68.868 -0.465 0.000 0.874 1103 T HN 0.448 nan 8.240 nan 0.000 0.455 1104 E N 0.222 120.196 120.200 -0.376 0.000 2.150 1104 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 1104 E C 2.303 178.772 176.600 -0.218 0.000 0.985 1104 E CA 1.189 57.452 56.400 -0.229 0.000 0.814 1104 E CB -0.354 29.231 29.700 -0.191 0.000 0.752 1104 E HN 0.583 nan 8.360 nan 0.000 0.466 1105 C N 0.123 119.204 119.300 -0.365 0.000 2.432 1105 C HA -0.090 4.370 4.460 -0.000 0.000 0.280 1105 C C 1.251 176.117 174.990 -0.206 0.000 1.353 1105 C CA -0.059 58.786 59.018 -0.288 0.000 1.766 1105 C CB -0.826 26.698 27.740 -0.360 0.000 1.924 1105 C HN 0.530 nan 8.230 nan 0.000 0.509 1106 W N 1.681 122.717 121.300 -0.440 0.000 3.213 1106 W HA 0.313 4.973 4.660 -0.001 0.000 0.430 1106 W C 0.521 176.927 176.519 -0.187 0.000 0.975 1106 W CA -1.162 55.666 57.345 -0.862 0.000 2.015 1106 W CB -1.550 27.341 29.460 -0.949 0.000 1.047 1106 W HN 0.310 nan 8.180 nan 0.000 0.797 1107 N N 1.690 120.513 118.700 0.205 0.000 2.475 1107 N HA -0.058 4.682 4.740 -0.000 0.000 0.267 1107 N C 1.142 176.882 175.510 0.383 0.000 1.169 1107 N CA 0.373 53.565 53.050 0.236 0.000 0.947 1107 N CB 0.674 39.233 38.487 0.120 0.000 1.061 1107 N HN 0.024 nan 8.380 nan 0.000 0.466 1108 N N 1.840 120.727 118.700 0.310 0.000 2.205 1108 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 1108 N C 0.140 175.721 175.510 0.118 0.000 1.015 1108 N CA 0.915 54.089 53.050 0.207 0.000 0.862 1108 N CB -0.273 38.295 38.487 0.135 0.000 0.986 1108 N HN 0.578 nan 8.380 nan 0.000 0.429 1109 N N 1.087 119.849 118.700 0.103 0.000 2.401 1109 N HA 0.031 4.771 4.740 -0.000 0.000 0.255 1109 N C 1.099 176.651 175.510 0.070 0.000 1.110 1109 N CA -0.022 53.066 53.050 0.062 0.000 0.949 1109 N CB 0.838 39.352 38.487 0.045 0.000 1.110 1109 N HN -0.245 nan 8.380 nan 0.000 0.490 1110 V N 3.525 123.468 119.914 0.050 0.000 2.282 1110 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 1110 V C 1.663 177.777 176.094 0.034 0.000 1.057 1110 V CA 1.698 64.027 62.300 0.048 0.000 1.032 1110 V CB -0.469 31.361 31.823 0.012 0.000 0.645 1110 V HN 0.713 nan 8.190 nan 0.000 0.447 1111 N N -0.360 118.351 118.700 0.018 0.000 2.512 1111 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 1111 N C 1.712 177.223 175.510 0.003 0.000 1.073 1111 N CA 0.733 53.787 53.050 0.006 0.000 0.911 1111 N CB -0.150 38.339 38.487 0.003 0.000 0.964 1111 N HN 0.617 nan 8.380 nan 0.000 0.447 1112 Q N 0.036 119.843 119.800 0.012 0.000 2.403 1112 Q HA 0.137 4.477 4.340 -0.000 0.000 0.203 1112 Q C -0.035 175.960 176.000 -0.008 0.000 0.932 1112 Q CA -0.012 55.792 55.803 0.003 0.000 0.945 1112 Q CB 0.458 29.203 28.738 0.011 0.000 1.045 1112 Q HN 0.266 nan 8.270 nan 0.000 0.511 1113 R N 1.484 121.984 120.500 0.000 0.000 2.539 1113 R HA 0.197 4.537 4.340 -0.000 0.000 0.275 1113 R C -2.324 173.925 176.300 -0.085 0.000 1.077 1113 R CA -1.666 54.419 56.100 -0.025 0.000 1.097 1113 R CB -0.120 30.193 30.300 0.021 0.000 1.018 1113 R HN -0.034 nan 8.270 nan 0.000 0.483 1114 P HA -0.003 nan 4.420 nan 0.000 0.272 1114 P C -0.509 176.647 177.300 -0.239 0.000 1.230 1114 P CA -0.334 62.671 63.100 -0.158 0.000 0.788 1114 P CB 0.696 32.298 31.700 -0.165 0.000 0.949 1115 S N 0.274 115.853 115.700 -0.201 0.000 2.632 1115 S HA 0.259 4.729 4.470 -0.000 0.000 0.267 1115 S C 0.857 175.280 174.600 -0.295 0.000 1.276 1115 S CA -0.306 57.748 58.200 -0.242 0.000 0.998 1115 S CB -0.032 63.110 63.200 -0.096 0.000 0.953 1115 S HN 0.181 nan 8.310 nan 0.000 0.547 1116 F N 0.727 120.602 119.950 -0.125 0.000 2.134 1116 F HA 0.046 4.573 4.527 -0.000 0.000 0.299 1116 F C 2.770 178.490 175.800 -0.132 0.000 1.097 1116 F CA 1.466 59.351 58.000 -0.191 0.000 1.264 1116 F CB -0.593 38.307 39.000 -0.167 0.000 1.001 1116 F HN 0.669 nan 8.300 nan 0.000 0.479 1117 R N 0.484 121.048 120.500 0.106 0.000 2.096 1117 R HA -0.246 4.094 4.340 -0.000 0.000 0.240 1117 R C 2.005 178.315 176.300 0.017 0.000 1.139 1117 R CA 2.300 58.434 56.100 0.056 0.000 0.952 1117 R CB -0.678 29.648 30.300 0.042 0.000 0.854 1117 R HN 0.242 nan 8.270 nan 0.000 0.436 1118 D N -0.031 120.359 120.400 -0.017 0.000 2.117 1118 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 1118 D C 2.047 178.325 176.300 -0.037 0.000 0.987 1118 D CA 1.104 55.085 54.000 -0.033 0.000 0.829 1118 D CB -0.023 40.743 40.800 -0.057 0.000 0.961 1118 D HN 0.300 nan 8.370 nan 0.000 0.460 1119 L N -0.083 121.099 121.223 -0.068 0.000 2.083 1119 L HA -0.082 4.258 4.340 -0.000 0.000 0.209 1119 L C 2.560 179.436 176.870 0.011 0.000 1.083 1119 L CA 1.089 55.892 54.840 -0.061 0.000 0.752 1119 L CB -0.440 41.500 42.059 -0.198 0.000 0.899 1119 L HN 0.058 nan 8.230 nan 0.000 0.433 1120 A N 0.075 122.911 122.820 0.026 0.000 1.873 1120 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 1120 A C 2.254 179.866 177.584 0.047 0.000 1.186 1120 A CA 1.316 53.386 52.037 0.056 0.000 0.616 1120 A CB -0.702 18.333 19.000 0.059 0.000 0.823 1120 A HN 0.318 nan 8.150 nan 0.000 0.442 1121 L N -1.019 120.222 121.223 0.030 0.000 2.042 1121 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 1121 L C 2.924 179.806 176.870 0.021 0.000 1.076 1121 L CA 1.692 56.546 54.840 0.023 0.000 0.749 1121 L CB -0.397 41.670 42.059 0.013 0.000 0.893 1121 L HN 0.364 nan 8.230 nan 0.000 0.432 1122 R N -1.045 119.464 120.500 0.016 0.000 2.075 1122 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 1122 R C 2.210 178.528 176.300 0.029 0.000 1.126 1122 R CA 1.221 57.329 56.100 0.012 0.000 0.963 1122 R CB -0.403 29.895 30.300 -0.003 0.000 0.858 1122 R HN 0.168 nan 8.270 nan 0.000 0.435 1123 V N 1.401 121.347 119.914 0.054 0.000 2.379 1123 V HA -0.208 3.911 4.120 -0.000 0.000 0.245 1123 V C 1.452 177.584 176.094 0.063 0.000 1.044 1123 V CA 1.839 64.186 62.300 0.078 0.000 1.036 1123 V CB -0.376 31.527 31.823 0.134 0.000 0.664 1123 V HN 0.264 nan 8.190 nan 0.000 0.453 1124 D N -0.476 119.957 120.400 0.056 0.000 2.149 1124 D HA -0.227 4.413 4.640 -0.000 0.000 0.198 1124 D C 2.127 178.446 176.300 0.032 0.000 0.990 1124 D CA 1.399 55.425 54.000 0.043 0.000 0.839 1124 D CB -0.210 40.613 40.800 0.040 0.000 0.948 1124 D HN 0.505 nan 8.370 nan 0.000 0.460 1125 Q N 0.005 119.821 119.800 0.027 0.000 2.084 1125 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 1125 Q C 2.329 178.342 176.000 0.020 0.000 0.978 1125 Q CA 0.929 56.744 55.803 0.019 0.000 0.844 1125 Q CB -0.037 28.708 28.738 0.013 0.000 0.898 1125 Q HN 0.300 nan 8.270 nan 0.000 0.426 1126 I N -0.030 120.554 120.570 0.024 0.000 2.315 1126 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 1126 I C 2.369 178.506 176.117 0.035 0.000 1.117 1126 I CA 1.035 62.350 61.300 0.025 0.000 1.404 1126 I CB -0.215 37.799 38.000 0.024 0.000 1.071 1126 I HN 0.159 nan 8.210 nan 0.000 0.419 1127 R N 0.724 121.248 120.500 0.040 0.000 2.096 1127 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 1127 R C 1.812 178.128 176.300 0.028 0.000 1.127 1127 R CA 1.493 57.616 56.100 0.038 0.000 0.968 1127 R CB -0.281 30.039 30.300 0.035 0.000 0.861 1127 R HN 0.371 nan 8.270 nan 0.000 0.440 1128 D N 0.453 120.867 120.400 0.024 0.000 2.149 1128 D HA -0.133 4.507 4.640 -0.000 0.000 0.201 1128 D C 1.874 178.184 176.300 0.017 0.000 0.972 1128 D CA 1.099 55.110 54.000 0.018 0.000 0.835 1128 D CB -0.095 40.715 40.800 0.016 0.000 0.966 1128 D HN 0.344 nan 8.370 nan 0.000 0.476 1129 Q N -0.197 119.615 119.800 0.019 0.000 2.119 1129 Q HA 0.003 4.343 4.340 -0.000 0.000 0.201 1129 Q C 2.220 178.233 176.000 0.021 0.000 0.972 1129 Q CA 0.812 56.626 55.803 0.017 0.000 0.847 1129 Q CB -0.047 28.700 28.738 0.015 0.000 0.903 1129 Q HN 0.299 nan 8.270 nan 0.000 0.433 1130 M N -0.189 119.428 119.600 0.029 0.000 2.254 1130 M HA -0.081 4.399 4.480 -0.000 0.000 0.265 1130 M C 2.174 178.491 176.300 0.028 0.000 1.066 1130 M CA 1.227 56.549 55.300 0.036 0.000 1.123 1130 M CB -0.050 32.581 32.600 0.053 0.000 1.388 1130 M HN 0.227 nan 8.290 nan 0.000 0.425 1131 A N 0.218 123.051 122.820 0.022 0.000 1.970 1131 A HA 0.218 4.538 4.320 -0.000 0.000 0.216 1131 A C 1.507 179.098 177.584 0.012 0.000 1.170 1131 A CA 0.942 52.987 52.037 0.015 0.000 0.645 1131 A CB -1.030 17.977 19.000 0.012 0.000 0.816 1131 A HN 0.453 nan 8.150 nan 0.000 0.447 1132 G N 0.000 108.807 108.800 0.012 0.000 5.446 1132 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 1132 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1132 G CA 0.000 45.106 45.100 0.010 0.000 0.502 1132 G HN 0.000 nan 8.290 nan 0.000 0.925