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 2b7a_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 0.000 176.244 176.300 -0.093 0.000 2.045 840 D CA 0.000 53.981 54.000 -0.032 0.000 0.868 840 D CB 0.000 40.797 40.800 -0.006 0.000 0.688 841 P HA -0.011 nan 4.420 nan 0.000 0.225 841 P C 1.178 178.285 177.300 -0.322 0.000 1.148 841 P CA 0.683 63.651 63.100 -0.220 0.000 0.779 841 P CB 0.409 32.039 31.700 -0.117 0.000 0.780 842 T N -1.075 113.405 114.554 -0.123 0.000 3.113 842 T HA 0.024 4.374 4.350 -0.000 0.000 0.256 842 T C 0.562 175.291 174.700 0.050 0.000 1.131 842 T CA 0.357 62.460 62.100 0.005 0.000 1.074 842 T CB -0.372 68.564 68.868 0.113 0.000 0.944 842 T HN -0.023 nan 8.240 nan 0.000 0.516 843 Q N 1.311 121.064 119.800 -0.078 0.000 2.368 843 Q HA 0.331 4.671 4.340 -0.000 0.000 0.256 843 Q C -1.323 174.584 176.000 -0.156 0.000 0.980 843 Q CA -0.201 55.612 55.803 0.016 0.000 0.887 843 Q CB 0.905 29.674 28.738 0.052 0.000 1.221 843 Q HN 0.351 nan 8.270 nan 0.000 0.458 844 F N 1.653 121.539 119.950 -0.107 0.000 2.415 844 F HA 0.212 4.739 4.527 -0.000 0.000 0.348 844 F C 1.002 176.848 175.800 0.077 0.000 1.119 844 F CA -0.645 57.221 58.000 -0.222 0.000 1.069 844 F CB 1.222 39.979 39.000 -0.404 0.000 1.124 844 F HN 0.194 nan 8.300 nan 0.000 0.472 845 E N 2.530 123.009 120.200 0.464 0.000 2.259 845 E HA -0.001 4.349 4.350 -0.000 0.000 0.281 845 E C 0.930 177.712 176.600 0.304 0.000 1.037 845 E CA -0.012 56.588 56.400 0.333 0.000 0.854 845 E CB 1.329 31.172 29.700 0.239 0.000 1.051 845 E HN 0.665 nan 8.360 nan 0.000 0.409 846 E N 4.365 124.656 120.200 0.151 0.000 2.085 846 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 846 E C 1.811 178.438 176.600 0.045 0.000 0.994 846 E CA 1.802 58.267 56.400 0.108 0.000 0.801 846 E CB 0.061 29.801 29.700 0.067 0.000 0.743 846 E HN 0.516 nan 8.360 nan 0.000 0.453 847 R N -1.088 119.361 120.500 -0.086 0.000 2.159 847 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 847 R C 1.386 177.589 176.300 -0.161 0.000 1.131 847 R CA 1.998 57.989 56.100 -0.181 0.000 0.982 847 R CB -0.717 29.390 30.300 -0.322 0.000 0.868 847 R HN 0.427 nan 8.270 nan 0.000 0.453 848 H N -0.604 118.480 119.070 0.024 0.000 2.592 848 H HA 0.193 4.749 4.556 -0.000 0.000 0.265 848 H C -0.266 175.039 175.328 -0.038 0.000 0.955 848 H CA -0.703 55.268 56.048 -0.128 0.000 1.175 848 H CB 0.554 30.036 29.762 -0.467 0.000 1.433 848 H HN -0.034 nan 8.280 nan 0.000 0.537 849 L N 2.904 124.278 121.223 0.253 0.000 2.363 849 L HA 0.111 4.451 4.340 -0.000 0.000 0.286 849 L C -0.301 176.673 176.870 0.174 0.000 1.106 849 L CA 0.165 55.181 54.840 0.293 0.000 0.859 849 L CB -0.066 42.174 42.059 0.303 0.000 1.223 849 L HN -0.002 nan 8.230 nan 0.000 0.446 850 K N 4.947 125.431 120.400 0.139 0.000 2.253 850 K HA 0.182 4.502 4.320 -0.000 0.000 0.277 850 K C -0.497 176.177 176.600 0.123 0.000 1.053 850 K CA -0.700 55.654 56.287 0.113 0.000 0.892 850 K CB 0.951 33.488 32.500 0.062 0.000 1.102 850 K HN 0.302 nan 8.250 nan 0.000 0.469 851 F N 4.014 123.965 119.950 0.002 0.000 2.529 851 F HA -0.002 4.525 4.527 -0.000 0.000 0.365 851 F C 0.492 176.276 175.800 -0.027 0.000 1.102 851 F CA 0.303 58.294 58.000 -0.014 0.000 1.271 851 F CB 0.411 39.405 39.000 -0.009 0.000 1.120 851 F HN 0.468 nan 8.300 nan 0.000 0.579 852 L N 2.758 123.469 121.223 -0.853 0.000 2.588 852 L HA 0.257 4.597 4.340 -0.000 0.000 0.194 852 L C -0.389 175.907 176.870 -0.957 0.000 1.070 852 L CA -0.018 54.411 54.840 -0.686 0.000 0.852 852 L CB -0.058 41.757 42.059 -0.407 0.000 1.199 852 L HN 0.709 nan 8.230 nan 0.000 0.486 853 Q N -1.267 117.865 119.800 -1.113 0.000 2.687 853 Q HA 0.276 4.616 4.340 -0.000 0.000 0.295 853 Q C -1.346 174.488 176.000 -0.277 0.000 0.920 853 Q CA -0.769 54.636 55.803 -0.665 0.000 0.766 853 Q CB 1.634 30.207 28.738 -0.274 0.000 1.467 853 Q HN -0.062 nan 8.270 nan 0.000 0.415 854 Q N 0.941 120.788 119.800 0.079 0.000 2.293 854 Q HA 0.275 4.615 4.340 -0.000 0.000 0.251 854 Q C -0.426 175.615 176.000 0.069 0.000 0.930 854 Q CA 0.022 55.918 55.803 0.154 0.000 0.893 854 Q CB 0.959 29.802 28.738 0.175 0.000 1.215 854 Q HN 0.855 nan 8.270 nan 0.000 0.425 855 L N 1.765 123.034 121.223 0.076 0.000 2.349 855 L HA 0.400 4.740 4.340 -0.000 0.000 0.200 855 L C 0.943 177.857 176.870 0.073 0.000 1.064 855 L CA 0.523 55.410 54.840 0.079 0.000 0.821 855 L CB 0.532 42.655 42.059 0.107 0.000 1.027 855 L HN 0.731 nan 8.230 nan 0.000 0.476 856 G N 0.031 108.871 108.800 0.068 0.000 2.608 856 G HA2 0.524 4.484 3.960 -0.000 0.000 0.291 856 G HA3 0.524 4.484 3.960 -0.000 0.000 0.291 856 G C -1.911 173.017 174.900 0.047 0.000 1.425 856 G CA -0.481 44.651 45.100 0.055 0.000 0.787 856 G HN -0.001 nan 8.290 nan 0.000 0.484 857 K N -0.906 119.517 120.400 0.038 0.000 2.508 857 K HA 0.845 5.165 4.320 -0.000 0.000 0.260 857 K C -0.299 176.322 176.600 0.035 0.000 0.949 857 K CA -0.900 55.406 56.287 0.031 0.000 0.834 857 K CB 2.364 34.877 32.500 0.021 0.000 1.365 857 K HN 1.074 nan 8.250 nan 0.000 0.437 858 G N 0.200 109.028 108.800 0.046 0.000 3.086 858 G HA2 0.197 4.157 3.960 -0.000 0.000 0.282 858 G HA3 0.197 4.157 3.960 -0.000 0.000 0.282 858 G C -0.336 174.564 174.900 0.000 0.000 1.343 858 G CA -0.750 44.387 45.100 0.061 0.000 0.895 858 G HN 0.570 nan 8.290 nan 0.000 0.557 859 N N -0.837 117.812 118.700 -0.084 0.000 2.216 859 N HA -0.041 4.699 4.740 -0.000 0.000 0.183 859 N C 2.005 177.354 175.510 -0.268 0.000 1.017 859 N CA 1.024 53.942 53.050 -0.220 0.000 0.861 859 N CB -0.222 38.057 38.487 -0.346 0.000 0.986 859 N HN 0.440 nan 8.380 nan 0.000 0.428 860 F N 0.740 120.586 119.950 -0.172 0.000 2.010 860 F HA -0.044 4.483 4.527 -0.000 0.000 0.296 860 F C 2.038 177.696 175.800 -0.236 0.000 1.146 860 F CA 1.374 59.213 58.000 -0.268 0.000 1.181 860 F CB -0.678 38.169 39.000 -0.255 0.000 0.965 860 F HN 0.085 nan 8.300 nan 0.000 0.480 861 G N -1.702 107.128 108.800 0.051 0.000 2.635 861 G HA2 0.469 4.429 3.960 -0.000 0.000 0.194 861 G HA3 0.469 4.429 3.960 -0.000 0.000 0.194 861 G C -1.422 173.470 174.900 -0.013 0.000 1.198 861 G CA -0.047 45.030 45.100 -0.039 0.000 0.972 861 G HN 0.394 nan 8.290 nan 0.000 0.520 862 S N -1.643 114.039 115.700 -0.029 0.000 2.661 862 S HA 0.797 5.267 4.470 -0.000 0.000 0.285 862 S C -1.361 173.248 174.600 0.014 0.000 1.138 862 S CA -0.692 57.510 58.200 0.004 0.000 0.855 862 S CB 1.865 65.072 63.200 0.013 0.000 1.136 862 S HN 1.059 nan 8.310 nan 0.000 0.484 863 V N 1.388 121.328 119.914 0.043 0.000 2.495 863 V HA 0.557 4.677 4.120 -0.000 0.000 0.298 863 V C -0.544 175.601 176.094 0.085 0.000 1.031 863 V CA -0.526 61.809 62.300 0.057 0.000 0.871 863 V CB 1.365 33.223 31.823 0.059 0.000 0.988 863 V HN 0.970 nan 8.190 nan 0.000 0.432 864 E N 3.693 123.950 120.200 0.096 0.000 2.212 864 E HA 0.492 4.842 4.350 -0.000 0.000 0.268 864 E C -0.747 175.873 176.600 0.033 0.000 0.902 864 E CA -0.813 55.675 56.400 0.146 0.000 0.779 864 E CB 2.732 32.618 29.700 0.311 0.000 1.172 864 E HN 0.619 nan 8.360 nan 0.000 0.409 865 M N 2.953 122.501 119.600 -0.085 0.000 2.120 865 M HA 0.281 4.761 4.480 -0.000 0.000 0.354 865 M C -1.452 174.701 176.300 -0.245 0.000 1.287 865 M CA -0.060 55.084 55.300 -0.260 0.000 1.103 865 M CB 0.058 32.412 32.600 -0.410 0.000 1.623 865 M HN 0.598 nan 8.290 nan 0.000 0.471 866 C N 4.305 123.500 119.300 -0.175 0.000 2.698 866 C HA 0.551 5.011 4.460 -0.000 0.000 0.309 866 C C -0.230 174.726 174.990 -0.057 0.000 1.186 866 C CA -1.019 57.955 59.018 -0.074 0.000 1.474 866 C CB 2.111 29.878 27.740 0.045 0.000 2.020 866 C HN 0.920 nan 8.230 nan 0.000 0.474 867 R N 1.428 121.920 120.500 -0.015 0.000 2.229 867 R HA 0.316 4.656 4.340 -0.000 0.000 0.328 867 R C -1.346 175.043 176.300 0.148 0.000 1.009 867 R CA -0.304 55.819 56.100 0.038 0.000 0.864 867 R CB 0.432 30.730 30.300 -0.003 0.000 1.085 867 R HN 0.799 nan 8.270 nan 0.000 0.453 868 Y N 4.101 124.451 120.300 0.083 0.000 2.585 868 Y HA 0.126 4.676 4.550 -0.000 0.000 0.354 868 Y C -0.780 175.175 175.900 0.092 0.000 1.024 868 Y CA -0.269 57.924 58.100 0.156 0.000 1.321 868 Y CB 0.567 39.208 38.460 0.303 0.000 1.151 868 Y HN 0.622 nan 8.280 nan 0.000 0.525 869 D N 8.299 128.575 120.400 -0.208 0.000 2.607 869 D HA 0.282 4.922 4.640 -0.000 0.000 0.318 869 D C -1.953 174.165 176.300 -0.303 0.000 1.212 869 D CA -1.989 51.898 54.000 -0.188 0.000 0.861 869 D CB 0.913 41.672 40.800 -0.068 0.000 1.064 869 D HN 0.287 nan 8.370 nan 0.000 0.500 870 P HA -0.093 nan 4.420 nan 0.000 0.222 870 P C 1.390 178.434 177.300 -0.427 0.000 1.147 870 P CA 0.563 63.151 63.100 -0.854 0.000 0.790 870 P CB 0.473 31.562 31.700 -1.018 0.000 0.780 871 L N -1.215 119.853 121.223 -0.258 0.000 2.492 871 L HA 0.050 4.389 4.340 -0.000 0.000 0.223 871 L C 1.055 177.868 176.870 -0.095 0.000 1.132 871 L CA 0.453 55.205 54.840 -0.147 0.000 0.850 871 L CB -0.954 41.041 42.059 -0.107 0.000 0.966 871 L HN -0.013 nan 8.230 nan 0.000 0.454 872 Q N 0.230 119.976 119.800 -0.091 0.000 2.494 872 Q HA -0.247 4.093 4.340 -0.000 0.000 0.266 872 Q C -0.074 175.905 176.000 -0.035 0.000 1.053 872 Q CA 0.882 56.657 55.803 -0.046 0.000 1.029 872 Q CB -1.350 27.373 28.738 -0.024 0.000 1.423 872 Q HN 0.734 nan 8.270 nan 0.000 0.516 873 D N -1.559 118.816 120.400 -0.041 0.000 2.513 873 D HA 0.099 4.739 4.640 -0.000 0.000 0.222 873 D C 0.183 176.468 176.300 -0.024 0.000 1.210 873 D CA -0.199 53.784 54.000 -0.029 0.000 0.825 873 D CB 0.179 40.961 40.800 -0.029 0.000 1.037 873 D HN 0.222 nan 8.370 nan 0.000 0.506 874 N N 0.017 118.701 118.700 -0.027 0.000 2.800 874 N HA -0.192 4.548 4.740 -0.000 0.000 0.250 874 N C 0.896 176.397 175.510 -0.015 0.000 1.078 874 N CA 1.530 54.567 53.050 -0.020 0.000 0.804 874 N CB -2.091 36.386 38.487 -0.017 0.000 1.135 874 N HN 0.602 nan 8.380 nan 0.000 0.565 875 T N -3.203 111.340 114.554 -0.018 0.000 3.081 875 T HA 0.228 4.578 4.350 -0.000 0.000 0.255 875 T C 1.225 175.925 174.700 0.001 0.000 1.113 875 T CA 0.490 62.584 62.100 -0.010 0.000 1.082 875 T CB 0.159 69.018 68.868 -0.015 0.000 0.939 875 T HN 0.391 nan 8.240 nan 0.000 0.506 876 G N 0.829 109.627 108.800 -0.003 0.000 2.614 876 G HA2 0.305 4.265 3.960 -0.000 0.000 0.239 876 G HA3 0.305 4.265 3.960 -0.000 0.000 0.239 876 G C -0.522 174.417 174.900 0.066 0.000 1.240 876 G CA -0.611 44.507 45.100 0.030 0.000 0.842 876 G HN 0.531 nan 8.290 nan 0.000 0.584 877 E N -0.403 119.871 120.200 0.122 0.000 2.354 877 E HA 0.243 4.593 4.350 -0.000 0.000 0.269 877 E C -0.231 176.434 176.600 0.108 0.000 1.036 877 E CA -0.526 55.944 56.400 0.118 0.000 0.876 877 E CB 0.903 30.690 29.700 0.145 0.000 1.009 877 E HN 0.114 nan 8.360 nan 0.000 0.416 878 V N 5.480 125.428 119.914 0.057 0.000 2.461 878 V HA 0.189 4.309 4.120 -0.000 0.000 0.275 878 V C 0.235 176.335 176.094 0.009 0.000 1.047 878 V CA -0.251 62.037 62.300 -0.020 0.000 0.955 878 V CB 0.730 32.490 31.823 -0.104 0.000 0.988 878 V HN 0.500 nan 8.190 nan 0.000 0.471 879 V N 2.352 122.237 119.914 -0.048 0.000 3.074 879 V HA 1.015 5.135 4.120 -0.000 0.000 0.314 879 V C -0.050 176.000 176.094 -0.073 0.000 1.117 879 V CA -1.086 61.186 62.300 -0.047 0.000 1.014 879 V CB 1.962 33.692 31.823 -0.155 0.000 1.057 879 V HN 0.952 nan 8.190 nan 0.000 0.438 880 A N 1.800 124.610 122.820 -0.016 0.000 2.292 880 A HA 0.812 5.132 4.320 -0.000 0.000 0.319 880 A C -0.518 177.034 177.584 -0.053 0.000 1.206 880 A CA -0.585 51.456 52.037 0.008 0.000 0.835 880 A CB 1.036 20.096 19.000 0.101 0.000 1.164 880 A HN 1.335 nan 8.150 nan 0.000 0.505 881 V N 3.392 123.289 119.914 -0.028 0.000 2.378 881 V HA 0.352 4.472 4.120 -0.000 0.000 0.288 881 V C 0.143 176.250 176.094 0.023 0.000 1.016 881 V CA -0.646 61.634 62.300 -0.034 0.000 0.840 881 V CB 1.371 33.179 31.823 -0.026 0.000 0.994 881 V HN 0.911 nan 8.190 nan 0.000 0.431 882 K N 5.591 126.022 120.400 0.052 0.000 2.211 882 K HA 0.581 4.901 4.320 -0.000 0.000 0.275 882 K C -0.330 176.327 176.600 0.095 0.000 1.024 882 K CA -0.621 55.716 56.287 0.084 0.000 0.887 882 K CB 1.000 33.586 32.500 0.143 0.000 1.084 882 K HN 0.847 nan 8.250 nan 0.000 0.463 883 K N 3.831 124.203 120.400 -0.046 0.000 2.395 883 K HA 0.424 4.744 4.320 -0.000 0.000 0.247 883 K C -0.975 175.446 176.600 -0.299 0.000 0.973 883 K CA -0.965 55.241 56.287 -0.135 0.000 0.828 883 K CB 1.266 33.732 32.500 -0.057 0.000 1.272 883 K HN 0.350 nan 8.250 nan 0.000 0.439 884 L N 2.221 123.222 121.223 -0.370 0.000 2.334 884 L HA 0.184 4.524 4.340 -0.000 0.000 0.277 884 L C 1.039 177.832 176.870 -0.128 0.000 1.075 884 L CA -0.663 53.995 54.840 -0.305 0.000 0.804 884 L CB 1.465 43.328 42.059 -0.327 0.000 1.174 884 L HN 0.723 nan 8.230 nan 0.000 0.438 885 Q N 0.372 120.125 119.800 -0.078 0.000 2.396 885 Q HA 0.033 4.373 4.340 -0.000 0.000 0.209 885 Q C -0.102 175.934 176.000 0.060 0.000 0.906 885 Q CA 0.528 56.317 55.803 -0.023 0.000 0.927 885 Q CB 0.536 29.254 28.738 -0.033 0.000 1.069 885 Q HN 0.460 nan 8.270 nan 0.000 0.523 886 H N 0.302 119.329 119.070 -0.072 0.000 2.675 886 H HA 0.321 4.877 4.556 -0.000 0.000 0.258 886 H C -0.759 174.620 175.328 0.086 0.000 1.271 886 H CA -0.892 55.159 56.048 0.005 0.000 1.462 886 H CB 0.262 30.029 29.762 0.007 0.000 1.467 886 H HN -0.216 nan 8.280 nan 0.000 0.501 887 S N 3.563 119.299 115.700 0.059 0.000 3.697 887 S HA 0.080 4.550 4.470 -0.000 0.000 0.207 887 S C 0.570 175.144 174.600 -0.044 0.000 1.459 887 S CA -0.203 58.003 58.200 0.009 0.000 1.122 887 S CB -0.727 62.491 63.200 0.030 0.000 1.311 887 S HN 0.774 nan 8.310 nan 0.000 0.487 888 T N -0.853 113.595 114.554 -0.176 0.000 2.813 888 T HA 0.246 4.596 4.350 -0.000 0.000 0.297 888 T C 1.148 175.790 174.700 -0.096 0.000 1.036 888 T CA -0.620 61.361 62.100 -0.198 0.000 1.044 888 T CB 0.784 69.413 68.868 -0.398 0.000 0.993 888 T HN 0.367 nan 8.240 nan 0.000 0.535 889 E N 0.464 120.617 120.200 -0.080 0.000 2.085 889 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 889 E C 2.172 178.747 176.600 -0.042 0.000 0.994 889 E CA 1.585 57.962 56.400 -0.039 0.000 0.801 889 E CB -0.044 29.636 29.700 -0.033 0.000 0.743 889 E HN 0.770 nan 8.360 nan 0.000 0.453 890 E N -0.264 119.869 120.200 -0.112 0.000 2.072 890 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 890 E C 2.094 178.665 176.600 -0.048 0.000 0.985 890 E CA 0.726 57.056 56.400 -0.115 0.000 0.801 890 E CB -0.012 29.567 29.700 -0.202 0.000 0.750 890 E HN 0.334 nan 8.360 nan 0.000 0.452 891 H N 0.439 119.492 119.070 -0.030 0.000 2.389 891 H HA -0.043 4.513 4.556 -0.000 0.000 0.299 891 H C 2.249 177.617 175.328 0.066 0.000 1.081 891 H CA 0.826 56.883 56.048 0.014 0.000 1.345 891 H CB -0.174 29.551 29.762 -0.062 0.000 1.393 891 H HN 0.134 nan 8.280 nan 0.000 0.520 892 L N 0.117 121.438 121.223 0.163 0.000 2.056 892 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 892 L C 2.833 179.798 176.870 0.157 0.000 1.078 892 L CA 1.144 56.085 54.840 0.167 0.000 0.749 892 L CB -0.269 41.857 42.059 0.111 0.000 0.901 892 L HN 0.127 nan 8.230 nan 0.000 0.433 893 R N 0.208 120.769 120.500 0.101 0.000 2.073 893 R HA -0.195 4.145 4.340 -0.000 0.000 0.234 893 R C 1.845 178.194 176.300 0.081 0.000 1.134 893 R CA 2.023 58.165 56.100 0.071 0.000 0.952 893 R CB -0.160 30.163 30.300 0.038 0.000 0.850 893 R HN 0.294 nan 8.270 nan 0.000 0.433 894 D N -0.170 120.302 120.400 0.121 0.000 2.117 894 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 894 D C 1.534 177.921 176.300 0.144 0.000 0.987 894 D CA 0.966 55.041 54.000 0.126 0.000 0.829 894 D CB -0.319 40.598 40.800 0.195 0.000 0.961 894 D HN 0.175 nan 8.370 nan 0.000 0.460 895 F N 2.061 122.009 119.950 -0.003 0.000 2.146 895 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 895 F C 2.108 177.878 175.800 -0.050 0.000 1.096 895 F CA 1.081 59.051 58.000 -0.049 0.000 1.275 895 F CB -0.099 38.883 39.000 -0.029 0.000 1.008 895 F HN -0.140 nan 8.300 nan 0.000 0.480 896 E N 0.145 120.329 120.200 -0.027 0.000 2.085 896 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 896 E C 2.407 178.929 176.600 -0.130 0.000 0.994 896 E CA 1.260 57.594 56.400 -0.110 0.000 0.801 896 E CB -0.379 29.315 29.700 -0.011 0.000 0.743 896 E HN 0.467 nan 8.360 nan 0.000 0.453 897 R N 0.558 121.009 120.500 -0.081 0.000 2.092 897 R HA -0.100 4.240 4.340 -0.000 0.000 0.231 897 R C 2.402 178.602 176.300 -0.167 0.000 1.119 897 R CA 1.011 57.047 56.100 -0.105 0.000 0.970 897 R CB -0.172 30.087 30.300 -0.067 0.000 0.864 897 R HN 0.264 nan 8.270 nan 0.000 0.440 898 E N 1.140 121.248 120.200 -0.153 0.000 2.077 898 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 898 E C 1.918 178.374 176.600 -0.239 0.000 0.989 898 E CA 1.087 57.384 56.400 -0.173 0.000 0.800 898 E CB -0.012 29.641 29.700 -0.078 0.000 0.746 898 E HN 0.276 nan 8.360 nan 0.000 0.452 899 I N 1.281 121.663 120.570 -0.314 0.000 2.179 899 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 899 I C 2.449 178.366 176.117 -0.332 0.000 1.088 899 I CA 1.060 62.174 61.300 -0.310 0.000 1.357 899 I CB -0.245 37.546 38.000 -0.349 0.000 1.051 899 I HN 0.096 nan 8.210 nan 0.000 0.409 900 E N 0.759 120.792 120.200 -0.278 0.000 2.077 900 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 900 E C 2.278 178.711 176.600 -0.277 0.000 0.989 900 E CA 1.285 57.530 56.400 -0.258 0.000 0.800 900 E CB -0.315 29.285 29.700 -0.167 0.000 0.746 900 E HN 0.526 nan 8.360 nan 0.000 0.452 901 I N 0.587 120.963 120.570 -0.324 0.000 2.127 901 I HA -0.291 3.879 4.170 -0.000 0.000 0.241 901 I C 2.472 178.342 176.117 -0.412 0.000 1.075 901 I CA 0.792 61.815 61.300 -0.462 0.000 1.334 901 I CB -0.210 37.399 38.000 -0.652 0.000 1.040 901 I HN 0.089 nan 8.210 nan 0.000 0.405 902 L N 1.006 121.984 121.223 -0.409 0.000 2.056 902 L HA -0.216 4.124 4.340 -0.000 0.000 0.207 902 L C 2.447 179.136 176.870 -0.300 0.000 1.078 902 L CA 1.857 56.478 54.840 -0.365 0.000 0.749 902 L CB -0.700 41.253 42.059 -0.177 0.000 0.901 902 L HN 0.107 nan 8.230 nan 0.000 0.433 903 K N -0.828 119.249 120.400 -0.539 0.000 2.152 903 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 903 K C 2.047 178.479 176.600 -0.279 0.000 1.048 903 K CA 1.580 57.433 56.287 -0.722 0.000 0.933 903 K CB -0.170 31.699 32.500 -1.052 0.000 0.721 903 K HN 0.578 nan 8.250 nan 0.000 0.447 904 S N 0.037 115.626 115.700 -0.185 0.000 2.522 904 S HA 0.036 4.506 4.470 -0.000 0.000 0.227 904 S C 0.723 175.343 174.600 0.034 0.000 0.986 904 S CA -0.129 58.042 58.200 -0.049 0.000 0.929 904 S CB -0.193 63.016 63.200 0.015 0.000 0.769 904 S HN 0.168 nan 8.310 nan 0.000 0.529 905 L N 1.814 123.054 121.223 0.028 0.000 2.275 905 L HA 0.486 4.826 4.340 -0.000 0.000 0.288 905 L C -0.171 176.814 176.870 0.192 0.000 1.046 905 L CA -0.243 54.708 54.840 0.184 0.000 0.805 905 L CB 1.214 43.311 42.059 0.064 0.000 1.193 905 L HN 0.222 nan 8.230 nan 0.000 0.426 906 Q N 3.845 123.807 119.800 0.270 0.000 2.414 906 Q HA 0.407 4.747 4.340 -0.000 0.000 0.256 906 Q C -1.300 174.635 176.000 -0.109 0.000 0.974 906 Q CA -0.430 55.425 55.803 0.086 0.000 0.723 906 Q CB 1.986 30.767 28.738 0.072 0.000 1.281 906 Q HN 0.509 nan 8.270 nan 0.000 0.470 907 H N 1.226 120.163 119.070 -0.222 0.000 3.046 907 H HA 0.110 4.666 4.556 -0.000 0.000 0.363 907 H C -0.396 174.846 175.328 -0.142 0.000 1.203 907 H CA -0.423 55.415 56.048 -0.350 0.000 1.169 907 H CB 2.071 31.504 29.762 -0.549 0.000 1.851 907 H HN 0.498 nan 8.280 nan 0.000 0.546 908 D N 1.001 121.104 120.400 -0.495 0.000 2.178 908 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 908 D C 0.499 176.795 176.300 -0.006 0.000 0.980 908 D CA 1.079 54.944 54.000 -0.224 0.000 0.842 908 D CB 0.315 40.945 40.800 -0.283 0.000 0.948 908 D HN 0.405 nan 8.370 nan 0.000 0.472 909 N N 0.058 118.896 118.700 0.230 0.000 2.321 909 N HA 0.183 4.923 4.740 -0.000 0.000 0.242 909 N C -0.306 175.349 175.510 0.241 0.000 1.141 909 N CA 0.014 53.210 53.050 0.244 0.000 0.864 909 N CB 1.509 40.152 38.487 0.260 0.000 1.100 909 N HN 0.208 nan 8.380 nan 0.000 0.510 910 I N 0.487 121.203 120.570 0.244 0.000 2.499 910 I HA 0.163 4.333 4.170 -0.000 0.000 0.288 910 I C 0.124 176.366 176.117 0.209 0.000 1.048 910 I CA -0.984 60.479 61.300 0.272 0.000 1.062 910 I CB 2.954 41.139 38.000 0.308 0.000 1.238 910 I HN -0.266 nan 8.210 nan 0.000 0.426 911 V N 7.066 127.119 119.914 0.231 0.000 2.720 911 V HA -0.051 4.069 4.120 -0.000 0.000 0.307 911 V C 0.397 176.583 176.094 0.153 0.000 1.071 911 V CA 0.473 62.873 62.300 0.167 0.000 1.199 911 V CB 0.390 32.316 31.823 0.170 0.000 0.900 911 V HN 0.644 nan 8.190 nan 0.000 0.494 912 K N 5.953 126.416 120.400 0.105 0.000 2.322 912 K HA 0.183 4.503 4.320 -0.000 0.000 0.283 912 K C -0.592 176.075 176.600 0.112 0.000 1.042 912 K CA -0.221 56.127 56.287 0.102 0.000 0.958 912 K CB 0.747 33.287 32.500 0.066 0.000 0.984 912 K HN 0.716 nan 8.250 nan 0.000 0.473 913 Y N 3.103 123.409 120.300 0.011 0.000 2.442 913 Y HA -0.036 4.514 4.550 -0.000 0.000 0.330 913 Y C 0.604 176.509 175.900 0.007 0.000 1.129 913 Y CA 0.704 58.797 58.100 -0.010 0.000 1.365 913 Y CB 0.686 39.129 38.460 -0.028 0.000 1.233 913 Y HN 0.554 nan 8.280 nan 0.000 0.529 914 K N 3.856 123.880 120.400 -0.627 0.000 2.367 914 K HA 0.413 4.733 4.320 -0.000 0.000 0.198 914 K C 0.416 176.676 176.600 -0.566 0.000 1.132 914 K CA 0.477 56.503 56.287 -0.435 0.000 0.941 914 K CB 0.846 33.199 32.500 -0.245 0.000 1.052 914 K HN 0.935 nan 8.250 nan 0.000 0.507 915 G N 0.549 108.739 108.800 -1.017 0.000 2.336 915 G HA2 0.265 4.225 3.960 -0.000 0.000 0.286 915 G HA3 0.265 4.225 3.960 -0.000 0.000 0.286 915 G C -1.743 172.985 174.900 -0.288 0.000 1.269 915 G CA -0.371 44.424 45.100 -0.509 0.000 0.873 915 G HN 0.012 nan 8.290 nan 0.000 0.494 916 V N -3.167 116.757 119.914 0.015 0.000 3.040 916 V HA 0.836 4.956 4.120 -0.000 0.000 0.312 916 V C -0.459 175.632 176.094 -0.006 0.000 1.115 916 V CA -0.933 61.328 62.300 -0.064 0.000 0.998 916 V CB 1.277 33.043 31.823 -0.095 0.000 1.042 916 V HN 1.649 nan 8.190 nan 0.000 0.433 917 C N 3.182 122.400 119.300 -0.137 0.000 2.364 917 C HA 0.820 5.280 4.460 -0.000 0.000 0.324 917 C C -0.893 174.011 174.990 -0.143 0.000 1.234 917 C CA -0.335 58.668 59.018 -0.026 0.000 1.417 917 C CB -0.156 27.594 27.740 0.017 0.000 2.101 917 C HN 0.868 nan 8.230 nan 0.000 0.466 918 Y N 3.349 123.695 120.300 0.076 0.000 2.487 918 Y HA 0.612 5.162 4.550 -0.000 0.000 0.337 918 Y C 0.943 176.876 175.900 0.054 0.000 1.076 918 Y CA -0.035 58.102 58.100 0.061 0.000 1.115 918 Y CB 1.989 40.479 38.460 0.050 0.000 1.235 918 Y HN 0.781 nan 8.280 nan 0.000 0.468 925 L N 1.905 123.165 121.223 0.061 0.000 2.499 925 L HA 0.230 4.570 4.340 -0.000 0.000 0.273 925 L C -0.235 176.714 176.870 0.131 0.000 1.195 925 L CA 0.712 55.529 54.840 -0.038 0.000 0.882 925 L CB 0.311 42.361 42.059 -0.015 0.000 1.133 925 L HN 0.380 nan 8.230 nan 0.000 0.483 926 K N 4.686 125.086 120.400 0.000 0.000 2.422 926 K HA 0.435 4.755 4.320 -0.000 0.000 0.251 926 K C -1.344 175.240 176.600 -0.027 0.000 0.933 926 K CA -0.907 55.446 56.287 0.110 0.000 0.798 926 K CB 2.684 35.203 32.500 0.031 0.000 1.238 926 K HN 0.301 nan 8.250 nan 0.000 0.428 927 L N 3.736 125.003 121.223 0.073 0.000 2.282 927 L HA 0.422 4.762 4.340 -0.000 0.000 0.288 927 L C -1.039 175.756 176.870 -0.125 0.000 1.033 927 L CA -0.368 54.427 54.840 -0.075 0.000 0.807 927 L CB 0.716 42.748 42.059 -0.045 0.000 1.209 927 L HN 0.450 nan 8.230 nan 0.000 0.423 928 I N 6.333 126.726 120.570 -0.296 0.000 2.321 928 I HA 0.391 4.561 4.170 -0.000 0.000 0.291 928 I C 0.063 175.953 176.117 -0.379 0.000 0.998 928 I CA -0.143 60.878 61.300 -0.465 0.000 1.227 928 I CB 0.906 38.309 38.000 -0.995 0.000 1.368 928 I HN 0.759 nan 8.210 nan 0.000 0.466 929 M N 4.378 123.844 119.600 -0.225 0.000 2.761 929 M HA 0.367 4.847 4.480 -0.000 0.000 0.305 929 M C 0.101 176.359 176.300 -0.070 0.000 1.235 929 M CA -0.859 54.374 55.300 -0.110 0.000 0.850 929 M CB 2.501 35.100 32.600 -0.002 0.000 1.744 929 M HN 0.542 nan 8.290 nan 0.000 0.480 930 E N 0.669 120.863 120.200 -0.011 0.000 2.415 930 E HA 0.000 4.350 4.350 -0.000 0.000 0.262 930 E C -1.479 175.175 176.600 0.089 0.000 1.038 930 E CA -0.255 56.164 56.400 0.033 0.000 0.921 930 E CB 0.557 30.276 29.700 0.032 0.000 0.950 930 E HN 0.505 nan 8.360 nan 0.000 0.438 931 Y N 3.475 123.757 120.300 -0.029 0.000 2.327 931 Y HA 0.325 4.875 4.550 -0.000 0.000 0.336 931 Y C -1.099 174.787 175.900 -0.023 0.000 1.035 931 Y CA -1.119 56.964 58.100 -0.029 0.000 1.165 931 Y CB 0.663 39.101 38.460 -0.036 0.000 1.181 931 Y HN 0.498 nan 8.280 nan 0.000 0.494 932 L N 10.186 131.125 121.223 -0.473 0.000 2.356 932 L HA 0.335 4.675 4.340 -0.000 0.000 0.264 932 L C -1.569 174.891 176.870 -0.682 0.000 1.029 932 L CA -1.684 52.873 54.840 -0.473 0.000 0.897 932 L CB 1.490 43.441 42.059 -0.181 0.000 1.256 932 L HN 0.570 nan 8.230 nan 0.000 0.444 933 P HA -0.215 nan 4.420 nan 0.000 0.219 933 P C 1.116 178.191 177.300 -0.375 0.000 1.146 933 P CA 1.409 64.039 63.100 -0.783 0.000 0.808 933 P CB 0.122 31.433 31.700 -0.649 0.000 0.779 934 Y N 0.042 120.227 120.300 -0.191 0.000 2.574 934 Y HA 0.060 4.610 4.550 -0.000 0.000 0.294 934 Y C 2.001 177.877 175.900 -0.040 0.000 1.142 934 Y CA 0.660 58.709 58.100 -0.084 0.000 1.314 934 Y CB -0.727 37.609 38.460 -0.206 0.000 0.991 934 Y HN 0.099 nan 8.280 nan 0.000 0.555 935 G N 0.207 109.026 108.800 0.031 0.000 2.598 935 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 935 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 935 G C -0.114 174.804 174.900 0.030 0.000 1.302 935 G CA -0.340 44.786 45.100 0.043 0.000 0.903 935 G HN 0.579 nan 8.290 nan 0.000 0.575 936 S N -0.539 115.191 115.700 0.050 0.000 2.576 936 S HA 0.442 4.912 4.470 -0.000 0.000 0.276 936 S C 1.468 176.099 174.600 0.052 0.000 1.339 936 S CA 0.310 58.529 58.200 0.032 0.000 1.039 936 S CB 1.637 64.861 63.200 0.039 0.000 0.902 936 S HN 1.866 nan 8.310 nan 0.000 0.516 937 L N 1.992 123.215 121.223 0.001 0.000 2.131 937 L HA 0.010 4.349 4.340 -0.000 0.000 0.210 937 L C 2.655 179.579 176.870 0.090 0.000 1.092 937 L CA 1.758 56.603 54.840 0.008 0.000 0.759 937 L CB -1.016 40.992 42.059 -0.084 0.000 0.903 937 L HN 0.957 nan 8.230 nan 0.000 0.435 938 R N -0.532 120.017 120.500 0.081 0.000 2.083 938 R HA -0.185 4.155 4.340 -0.000 0.000 0.237 938 R C 1.834 178.201 176.300 0.112 0.000 1.137 938 R CA 2.128 58.287 56.100 0.099 0.000 0.951 938 R CB -0.257 30.097 30.300 0.090 0.000 0.851 938 R HN 0.452 nan 8.270 nan 0.000 0.434 939 D N -0.916 119.556 120.400 0.120 0.000 2.162 939 D HA -0.160 4.480 4.640 -0.000 0.000 0.203 939 D C 1.614 178.013 176.300 0.166 0.000 0.967 939 D CA 0.937 55.012 54.000 0.124 0.000 0.840 939 D CB -0.340 40.530 40.800 0.117 0.000 0.972 939 D HN 0.284 nan 8.370 nan 0.000 0.482 940 Y N 1.429 121.780 120.300 0.085 0.000 2.181 940 Y HA -0.182 4.368 4.550 -0.000 0.000 0.288 940 Y C 2.172 178.183 175.900 0.185 0.000 1.146 940 Y CA 0.936 59.125 58.100 0.148 0.000 1.164 940 Y CB -0.243 38.249 38.460 0.053 0.000 0.982 940 Y HN -0.121 nan 8.280 nan 0.000 0.515 941 L N 0.692 122.029 121.223 0.189 0.000 2.046 941 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 941 L C 2.235 179.174 176.870 0.116 0.000 1.077 941 L CA 1.839 56.767 54.840 0.147 0.000 0.747 941 L CB -0.952 41.185 42.059 0.130 0.000 0.896 941 L HN 0.333 nan 8.230 nan 0.000 0.432 942 Q N -0.093 119.756 119.800 0.081 0.000 2.030 942 Q HA -0.262 4.078 4.340 -0.000 0.000 0.204 942 Q C 1.948 177.922 176.000 -0.043 0.000 0.986 942 Q CA 2.275 58.103 55.803 0.043 0.000 0.843 942 Q CB -0.322 28.438 28.738 0.036 0.000 0.904 942 Q HN 0.649 nan 8.270 nan 0.000 0.420 943 K N -0.646 119.676 120.400 -0.130 0.000 2.366 943 K HA -0.047 4.273 4.320 -0.000 0.000 0.198 943 K C 0.810 177.115 176.600 -0.491 0.000 1.044 943 K CA 0.972 57.078 56.287 -0.302 0.000 0.973 943 K CB 0.213 32.498 32.500 -0.359 0.000 0.767 943 K HN 0.297 nan 8.250 nan 0.000 0.475 944 H N 1.503 120.448 119.070 -0.207 0.000 2.528 944 H HA 0.142 4.698 4.556 -0.000 0.000 0.282 944 H C 1.044 176.309 175.328 -0.105 0.000 1.097 944 H CA 0.025 55.940 56.048 -0.221 0.000 1.121 944 H CB 0.715 30.201 29.762 -0.459 0.000 1.590 944 H HN 0.353 nan 8.280 nan 0.000 0.553 945 K N 1.160 121.558 120.400 -0.003 0.000 2.063 945 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 945 K C 1.267 177.751 176.600 -0.193 0.000 1.048 945 K CA 1.592 57.846 56.287 -0.055 0.000 0.928 945 K CB -0.017 32.376 32.500 -0.178 0.000 0.713 945 K HN 0.198 nan 8.250 nan 0.000 0.442 946 E N 0.353 120.462 120.200 -0.151 0.000 2.204 946 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 946 E C 2.151 178.700 176.600 -0.085 0.000 0.989 946 E CA 0.658 56.974 56.400 -0.141 0.000 0.824 946 E CB 0.037 29.672 29.700 -0.108 0.000 0.756 946 E HN 0.332 nan 8.360 nan 0.000 0.477 947 R N 0.364 120.845 120.500 -0.030 0.000 2.223 947 R HA 0.132 4.472 4.340 -0.000 0.000 0.198 947 R C 0.286 176.595 176.300 0.015 0.000 0.984 947 R CA 0.081 56.182 56.100 0.001 0.000 1.018 947 R CB 0.439 30.764 30.300 0.042 0.000 0.945 947 R HN 0.030 nan 8.270 nan 0.000 0.479 948 I N 1.974 122.579 120.570 0.058 0.000 2.304 948 I HA 0.102 4.272 4.170 -0.000 0.000 0.291 948 I C -0.298 175.880 176.117 0.101 0.000 1.018 948 I CA -0.611 60.757 61.300 0.113 0.000 1.260 948 I CB 1.269 39.412 38.000 0.238 0.000 1.390 948 I HN -0.025 nan 8.210 nan 0.000 0.475 949 D N 3.680 124.084 120.400 0.007 0.000 2.383 949 D HA 0.131 4.771 4.640 -0.000 0.000 0.248 949 D C 1.193 177.490 176.300 -0.005 0.000 1.170 949 D CA -0.037 53.942 54.000 -0.035 0.000 0.977 949 D CB 0.835 41.608 40.800 -0.045 0.000 1.120 949 D HN 0.453 nan 8.370 nan 0.000 0.481 950 H N 0.410 119.473 119.070 -0.011 0.000 2.353 950 H HA -0.079 4.477 4.556 -0.000 0.000 0.300 950 H C 1.974 177.292 175.328 -0.016 0.000 1.090 950 H CA 0.575 56.603 56.048 -0.034 0.000 1.327 950 H CB 0.295 30.145 29.762 0.145 0.000 1.383 950 H HN 0.336 nan 8.280 nan 0.000 0.508 951 I N 0.876 121.513 120.570 0.113 0.000 2.361 951 I HA -0.236 3.934 4.170 -0.000 0.000 0.251 951 I C 2.270 178.347 176.117 -0.065 0.000 1.133 951 I CA 1.108 62.432 61.300 0.040 0.000 1.413 951 I CB 0.101 38.116 38.000 0.025 0.000 1.073 951 I HN 0.047 nan 8.210 nan 0.000 0.424 952 K N 0.958 121.275 120.400 -0.138 0.000 2.103 952 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 952 K C 1.881 178.150 176.600 -0.553 0.000 1.052 952 K CA 1.584 57.664 56.287 -0.345 0.000 0.945 952 K CB -0.483 31.838 32.500 -0.298 0.000 0.722 952 K HN 0.335 nan 8.250 nan 0.000 0.443 953 L N 0.279 121.311 121.223 -0.319 0.000 2.042 953 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 953 L C 2.235 179.078 176.870 -0.046 0.000 1.076 953 L CA 1.170 55.869 54.840 -0.235 0.000 0.749 953 L CB -0.416 41.341 42.059 -0.504 0.000 0.893 953 L HN 0.174 nan 8.230 nan 0.000 0.432 954 L N -0.766 120.468 121.223 0.019 0.000 2.217 954 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 954 L C 2.624 179.527 176.870 0.054 0.000 1.107 954 L CA 0.839 55.745 54.840 0.110 0.000 0.783 954 L CB -0.412 41.725 42.059 0.130 0.000 0.919 954 L HN 0.400 nan 8.230 nan 0.000 0.442 955 Q N 0.005 119.765 119.800 -0.066 0.000 2.050 955 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 955 Q C 2.224 178.253 176.000 0.048 0.000 0.980 955 Q CA 1.849 57.613 55.803 -0.066 0.000 0.840 955 Q CB -0.208 28.418 28.738 -0.188 0.000 0.898 955 Q HN 0.527 nan 8.270 nan 0.000 0.424 956 Y N -0.073 120.259 120.300 0.053 0.000 2.181 956 Y HA -0.205 4.345 4.550 -0.000 0.000 0.288 956 Y C 2.646 178.610 175.900 0.107 0.000 1.146 956 Y CA 0.963 59.096 58.100 0.055 0.000 1.164 956 Y CB -0.264 38.215 38.460 0.032 0.000 0.982 956 Y HN 0.196 nan 8.280 nan 0.000 0.515 957 T N -0.790 113.939 114.554 0.292 0.000 2.684 957 T HA -0.269 4.081 4.350 -0.000 0.000 0.267 957 T C 2.087 176.973 174.700 0.311 0.000 1.036 957 T CA 1.612 63.906 62.100 0.323 0.000 1.148 957 T CB -0.554 68.495 68.868 0.302 0.000 0.863 957 T HN 0.305 nan 8.240 nan 0.000 0.436 958 S N 0.666 116.494 115.700 0.213 0.000 2.370 958 S HA -0.192 4.278 4.470 -0.000 0.000 0.226 958 S C 2.194 176.877 174.600 0.140 0.000 1.033 958 S CA 1.514 59.807 58.200 0.155 0.000 1.011 958 S CB -0.349 62.916 63.200 0.109 0.000 0.852 958 S HN 0.548 nan 8.310 nan 0.000 0.457 959 Q N 0.014 119.907 119.800 0.155 0.000 2.084 959 Q HA -0.069 4.271 4.340 -0.000 0.000 0.202 959 Q C 2.156 178.233 176.000 0.128 0.000 0.978 959 Q CA 1.469 57.358 55.803 0.145 0.000 0.844 959 Q CB -0.224 28.606 28.738 0.153 0.000 0.898 959 Q HN 0.493 nan 8.270 nan 0.000 0.426 960 I N 0.297 120.960 120.570 0.154 0.000 2.179 960 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 960 I C 2.379 178.493 176.117 -0.005 0.000 1.088 960 I CA 0.971 62.346 61.300 0.125 0.000 1.357 960 I CB -1.434 36.732 38.000 0.277 0.000 1.051 960 I HN 0.340 nan 8.210 nan 0.000 0.409 961 C N 0.973 120.282 119.300 0.016 0.000 2.398 961 C HA -0.197 4.263 4.460 -0.000 0.000 0.276 961 C C 2.844 177.741 174.990 -0.155 0.000 1.222 961 C CA 0.957 59.886 59.018 -0.149 0.000 1.746 961 C CB -0.964 26.754 27.740 -0.036 0.000 2.039 961 C HN 0.467 nan 8.230 nan 0.000 0.470 962 K N 0.185 120.566 120.400 -0.033 0.000 2.097 962 K HA -0.038 4.282 4.320 -0.000 0.000 0.205 962 K C 2.217 178.726 176.600 -0.152 0.000 1.050 962 K CA 1.440 57.729 56.287 0.003 0.000 0.938 962 K CB -0.446 32.133 32.500 0.132 0.000 0.718 962 K HN 0.594 nan 8.250 nan 0.000 0.442 963 G N 1.027 109.715 108.800 -0.187 0.000 2.418 963 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 963 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 963 G C 1.439 176.190 174.900 -0.248 0.000 1.158 963 G CA 0.574 45.477 45.100 -0.329 0.000 0.771 963 G HN 0.060 nan 8.290 nan 0.000 0.545 964 M N 0.392 119.766 119.600 -0.377 0.000 2.254 964 M HA 0.067 4.547 4.480 -0.000 0.000 0.265 964 M C 2.193 178.187 176.300 -0.510 0.000 1.066 964 M CA 0.748 55.662 55.300 -0.643 0.000 1.123 964 M CB -0.933 30.736 32.600 -1.552 0.000 1.388 964 M HN 0.400 nan 8.290 nan 0.000 0.425 965 E N -0.647 119.353 120.200 -0.333 0.000 2.077 965 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 965 E C 1.992 178.575 176.600 -0.027 0.000 0.989 965 E CA 1.193 57.551 56.400 -0.071 0.000 0.800 965 E CB -0.127 29.578 29.700 0.009 0.000 0.746 965 E HN 0.469 nan 8.360 nan 0.000 0.452 966 Y N 1.057 121.236 120.300 -0.201 0.000 2.224 966 Y HA -0.171 4.379 4.550 -0.000 0.000 0.289 966 Y C 1.916 177.734 175.900 -0.136 0.000 1.146 966 Y CA 1.288 59.281 58.100 -0.178 0.000 1.182 966 Y CB -0.225 38.029 38.460 -0.342 0.000 0.983 966 Y HN 0.028 nan 8.280 nan 0.000 0.524 967 L N -0.597 120.525 121.223 -0.167 0.000 2.042 967 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 967 L C 2.627 179.393 176.870 -0.173 0.000 1.076 967 L CA 1.530 56.291 54.840 -0.132 0.000 0.749 967 L CB -1.267 40.849 42.059 0.095 0.000 0.893 967 L HN 0.449 nan 8.230 nan 0.000 0.432 968 G N -0.535 108.209 108.800 -0.093 0.000 2.432 968 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.219 968 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.219 968 G C 1.617 176.445 174.900 -0.121 0.000 1.135 968 G CA 1.284 46.359 45.100 -0.041 0.000 0.767 968 G HN 0.485 nan 8.290 nan 0.000 0.550 969 T N -1.165 113.277 114.554 -0.186 0.000 2.962 969 T HA 0.060 4.410 4.350 -0.000 0.000 0.270 969 T C 1.958 176.470 174.700 -0.313 0.000 1.088 969 T CA 1.050 63.029 62.100 -0.201 0.000 1.127 969 T CB -0.036 68.731 68.868 -0.168 0.000 0.883 969 T HN 0.188 nan 8.240 nan 0.000 0.493 970 K N 0.868 120.965 120.400 -0.505 0.000 2.404 970 K HA 0.215 4.535 4.320 -0.000 0.000 0.194 970 K C 0.455 176.660 176.600 -0.658 0.000 1.023 970 K CA -0.124 55.711 56.287 -0.752 0.000 1.094 970 K CB 0.155 31.835 32.500 -1.366 0.000 0.841 970 K HN 0.438 nan 8.250 nan 0.000 0.523 971 R N 0.225 120.522 120.500 -0.339 0.000 3.641 971 R HA -0.185 4.155 4.340 -0.000 0.000 0.286 971 R C -0.766 175.549 176.300 0.025 0.000 1.153 971 R CA 0.629 56.655 56.100 -0.123 0.000 0.775 971 R CB -2.695 27.561 30.300 -0.074 0.000 1.215 971 R HN 0.317 nan 8.270 nan 0.000 0.474 972 Y N 0.632 120.919 120.300 -0.022 0.000 2.308 972 Y HA 0.377 4.927 4.550 -0.000 0.000 0.329 972 Y C 1.177 177.122 175.900 0.074 0.000 1.111 972 Y CA -1.401 56.705 58.100 0.010 0.000 1.179 972 Y CB 0.995 39.450 38.460 -0.010 0.000 1.201 972 Y HN -0.062 nan 8.280 nan 0.000 0.483 973 I N 3.583 124.307 120.570 0.256 0.000 2.355 973 I HA 0.042 4.212 4.170 -0.000 0.000 0.288 973 I C 1.008 177.248 176.117 0.205 0.000 0.999 973 I CA -0.495 60.943 61.300 0.229 0.000 1.163 973 I CB 0.896 39.010 38.000 0.190 0.000 1.316 973 I HN 0.852 nan 8.210 nan 0.000 0.454 974 H N 7.456 126.631 119.070 0.176 0.000 2.326 974 H HA -0.022 4.534 4.556 -0.000 0.000 0.301 974 H C 0.650 176.023 175.328 0.076 0.000 1.081 974 H CA 1.853 57.981 56.048 0.133 0.000 1.334 974 H CB 0.568 30.397 29.762 0.111 0.000 1.385 974 H HN 0.585 nan 8.280 nan 0.000 0.504 975 R N -0.763 119.880 120.500 0.240 0.000 3.922 975 R HA -0.190 4.149 4.340 -0.000 0.000 0.447 975 R C -0.395 176.053 176.300 0.247 0.000 1.035 975 R CA 1.275 57.444 56.100 0.115 0.000 1.289 975 R CB -1.412 28.726 30.300 -0.271 0.000 1.906 975 R HN 0.340 nan 8.270 nan 0.000 0.540 976 D N 0.172 120.815 120.400 0.405 0.000 3.007 976 D HA 0.235 4.875 4.640 -0.000 0.000 0.363 976 D C -0.656 175.865 176.300 0.369 0.000 1.474 976 D CA -0.177 54.031 54.000 0.345 0.000 0.767 976 D CB 0.369 41.262 40.800 0.155 0.000 1.227 976 D HN 0.082 nan 8.370 nan 0.000 0.471 977 L N 1.398 122.830 121.223 0.348 0.000 2.418 977 L HA 0.603 4.943 4.340 -0.000 0.000 0.274 977 L C 0.238 177.213 176.870 0.175 0.000 1.135 977 L CA 0.063 54.992 54.840 0.148 0.000 0.870 977 L CB 0.760 42.958 42.059 0.232 0.000 1.154 977 L HN 0.226 nan 8.230 nan 0.000 0.462 978 A N 1.503 124.350 122.820 0.045 0.000 2.597 978 A HA 0.411 4.731 4.320 -0.000 0.000 0.292 978 A C 0.483 178.094 177.584 0.044 0.000 1.057 978 A CA 0.007 52.043 52.037 -0.002 0.000 0.674 978 A CB 0.994 19.674 19.000 -0.534 0.000 1.278 978 A HN 0.722 nan 8.150 nan 0.000 0.416 979 T N -1.082 113.550 114.554 0.129 0.000 2.929 979 T HA -0.175 4.175 4.350 -0.000 0.000 0.271 979 T C 1.510 176.231 174.700 0.035 0.000 1.085 979 T CA 1.646 63.800 62.100 0.090 0.000 1.125 979 T CB -0.508 68.438 68.868 0.130 0.000 0.874 979 T HN 0.893 nan 8.240 nan 0.000 0.494 980 R N 1.304 121.806 120.500 0.003 0.000 2.237 980 R HA 0.110 4.450 4.340 -0.000 0.000 0.219 980 R C 1.452 177.739 176.300 -0.021 0.000 1.080 980 R CA 1.190 57.283 56.100 -0.012 0.000 0.995 980 R CB -0.430 29.843 30.300 -0.044 0.000 0.875 980 R HN 0.284 nan 8.270 nan 0.000 0.462 981 N N 0.350 119.029 118.700 -0.035 0.000 2.236 981 N HA 0.205 4.945 4.740 -0.000 0.000 0.196 981 N C -0.395 175.082 175.510 -0.055 0.000 1.114 981 N CA 0.158 53.186 53.050 -0.037 0.000 0.859 981 N CB 0.688 39.164 38.487 -0.018 0.000 0.982 981 N HN 0.209 nan 8.380 nan 0.000 0.493 982 I N 1.416 121.961 120.570 -0.042 0.000 2.359 982 I HA 0.274 4.444 4.170 -0.000 0.000 0.294 982 I C -0.117 175.968 176.117 -0.052 0.000 0.987 982 I CA -0.516 60.754 61.300 -0.050 0.000 1.225 982 I CB 1.524 39.501 38.000 -0.039 0.000 1.366 982 I HN -0.302 nan 8.210 nan 0.000 0.466 983 L N 6.122 127.310 121.223 -0.059 0.000 2.334 983 L HA 0.609 4.949 4.340 -0.000 0.000 0.270 983 L C -0.630 176.155 176.870 -0.142 0.000 1.018 983 L CA -1.120 53.677 54.840 -0.073 0.000 0.811 983 L CB 1.968 44.004 42.059 -0.039 0.000 1.271 983 L HN 0.222 nan 8.230 nan 0.000 0.443 984 V N 1.006 120.807 119.914 -0.189 0.000 2.347 984 V HA 0.132 4.252 4.120 -0.000 0.000 0.280 984 V C 0.745 176.722 176.094 -0.195 0.000 1.021 984 V CA -0.268 61.831 62.300 -0.335 0.000 0.847 984 V CB 1.280 32.697 31.823 -0.678 0.000 0.990 984 V HN 0.887 nan 8.190 nan 0.000 0.444 985 E N 4.394 124.497 120.200 -0.162 0.000 2.086 985 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 985 E C 0.566 177.150 176.600 -0.025 0.000 0.975 985 E CA 1.194 57.559 56.400 -0.059 0.000 0.813 985 E CB 0.422 30.095 29.700 -0.045 0.000 0.768 985 E HN 0.961 nan 8.360 nan 0.000 0.457 986 N N -2.094 116.480 118.700 -0.209 0.000 3.308 986 N HA -0.088 4.652 4.740 -0.000 0.000 0.276 986 N C 0.032 175.298 175.510 -0.408 0.000 1.533 986 N CA -0.162 52.673 53.050 -0.358 0.000 0.878 986 N CB 0.159 38.574 38.487 -0.120 0.000 1.566 986 N HN -0.033 nan 8.380 nan 0.000 0.546 987 E N -0.991 119.020 120.200 -0.315 0.000 2.331 987 E HA -0.195 4.155 4.350 -0.000 0.000 0.199 987 E C -0.048 176.620 176.600 0.113 0.000 1.008 987 E CA 1.244 57.602 56.400 -0.069 0.000 0.843 987 E CB -0.387 29.293 29.700 -0.033 0.000 0.761 987 E HN 0.475 nan 8.360 nan 0.000 0.507 988 N N 0.192 118.922 118.700 0.051 0.000 2.220 988 N HA 0.101 4.841 4.740 -0.000 0.000 0.195 988 N C -0.372 175.222 175.510 0.140 0.000 1.123 988 N CA 0.065 53.173 53.050 0.098 0.000 0.874 988 N CB 0.864 39.365 38.487 0.024 0.000 0.995 988 N HN 0.072 nan 8.380 nan 0.000 0.498 989 R N 1.100 121.643 120.500 0.071 0.000 2.533 989 R HA 0.364 4.703 4.340 -0.000 0.000 0.288 989 R C -1.092 175.164 176.300 -0.075 0.000 1.039 989 R CA -0.475 55.645 56.100 0.032 0.000 0.909 989 R CB 1.613 31.913 30.300 -0.001 0.000 1.195 989 R HN -0.145 nan 8.270 nan 0.000 0.438 990 V N 0.047 119.932 119.914 -0.049 0.000 2.881 990 V HA 0.718 4.838 4.120 -0.000 0.000 0.316 990 V C -0.768 175.309 176.094 -0.027 0.000 1.070 990 V CA -0.869 61.355 62.300 -0.126 0.000 0.976 990 V CB 2.026 33.726 31.823 -0.205 0.000 1.038 990 V HN 0.720 nan 8.190 nan 0.000 0.446 991 K N 2.398 122.781 120.400 -0.029 0.000 2.468 991 K HA 0.602 4.922 4.320 -0.000 0.000 0.252 991 K C -1.184 175.431 176.600 0.025 0.000 0.932 991 K CA -0.766 55.541 56.287 0.034 0.000 0.794 991 K CB 2.684 35.215 32.500 0.051 0.000 1.241 991 K HN 0.697 nan 8.250 nan 0.000 0.428 992 I N 1.698 122.300 120.570 0.054 0.000 2.662 992 I HA -0.008 4.162 4.170 -0.000 0.000 0.285 992 I C 1.199 177.335 176.117 0.032 0.000 1.161 992 I CA 0.559 61.846 61.300 -0.022 0.000 1.415 992 I CB 0.466 38.437 38.000 -0.048 0.000 1.385 992 I HN 0.926 nan 8.210 nan 0.000 0.552 993 G N 4.231 112.998 108.800 -0.055 0.000 3.228 993 G HA2 0.147 4.107 3.960 -0.000 0.000 0.245 993 G HA3 0.147 4.107 3.960 -0.000 0.000 0.245 993 G C -0.323 174.585 174.900 0.012 0.000 1.051 993 G CA 0.031 45.148 45.100 0.028 0.000 0.809 993 G HN 0.637 nan 8.290 nan 0.000 0.531 994 D N -1.334 118.970 120.400 -0.159 0.000 2.837 994 D HA 0.536 5.176 4.640 -0.000 0.000 0.220 994 D C -1.042 174.985 176.300 -0.455 0.000 1.236 994 D CA -0.650 53.273 54.000 -0.129 0.000 0.838 994 D CB 1.497 42.251 40.800 -0.077 0.000 1.647 994 D HN -0.098 nan 8.370 nan 0.000 0.486 995 F N 1.512 121.400 119.950 -0.104 0.000 2.810 995 F HA 0.327 4.854 4.527 -0.000 0.000 0.353 995 F C 1.688 177.299 175.800 -0.315 0.000 1.227 995 F CA -0.608 57.243 58.000 -0.249 0.000 1.210 995 F CB 1.330 40.227 39.000 -0.172 0.000 1.039 995 F HN 0.533 nan 8.300 nan 0.000 0.509 996 G N 0.255 108.884 108.800 -0.283 0.000 2.448 996 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.219 996 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.219 996 G C 1.309 176.001 174.900 -0.347 0.000 1.127 996 G CA 0.795 45.534 45.100 -0.602 0.000 0.766 996 G HN 0.401 nan 8.290 nan 0.000 0.552 997 L N 0.671 121.801 121.223 -0.156 0.000 2.766 997 L HA 0.184 4.524 4.340 -0.000 0.000 0.242 997 L C 0.482 177.265 176.870 -0.144 0.000 1.136 997 L CA -0.258 54.557 54.840 -0.041 0.000 0.933 997 L CB 0.425 42.493 42.059 0.016 0.000 1.241 997 L HN -0.055 nan 8.230 nan 0.000 0.522 998 T N 2.069 116.512 114.554 -0.184 0.000 2.888 998 T HA 0.150 4.500 4.350 -0.000 0.000 0.301 998 T C 0.240 174.862 174.700 -0.129 0.000 1.001 998 T CA 0.205 62.218 62.100 -0.146 0.000 1.147 998 T CB 0.676 69.504 68.868 -0.067 0.000 0.931 998 T HN -0.021 nan 8.240 nan 0.000 0.541 999 K N 2.197 122.551 120.400 -0.077 0.000 2.328 999 K HA 0.550 4.870 4.320 -0.000 0.000 0.246 999 K C -0.815 175.804 176.600 0.031 0.000 0.955 999 K CA -0.815 55.445 56.287 -0.045 0.000 0.817 999 K CB 2.371 34.856 32.500 -0.026 0.000 1.208 999 K HN 0.293 nan 8.250 nan 0.000 0.432 1000 V N 2.789 122.735 119.914 0.052 0.000 2.407 1000 V HA 0.154 4.274 4.120 -0.000 0.000 0.278 1000 V C 0.326 176.486 176.094 0.109 0.000 1.037 1000 V CA -0.995 61.407 62.300 0.169 0.000 0.900 1000 V CB 0.975 32.899 31.823 0.169 0.000 0.983 1000 V HN 0.492 nan 8.190 nan 0.000 0.459 1001 L N 8.130 129.421 121.223 0.113 0.000 2.525 1001 L HA 0.252 4.592 4.340 -0.000 0.000 0.278 1001 L C -1.853 175.049 176.870 0.052 0.000 1.218 1001 L CA -0.997 53.888 54.840 0.075 0.000 0.878 1001 L CB -0.232 41.865 42.059 0.065 0.000 1.127 1001 L HN 0.496 nan 8.230 nan 0.000 0.492 1002 P HA 0.084 nan 4.420 nan 0.000 0.269 1002 P C 0.281 177.594 177.300 0.022 0.000 1.215 1002 P CA -0.306 62.812 63.100 0.029 0.000 0.780 1002 P CB 0.421 32.137 31.700 0.027 0.000 0.898 1003 Q N 1.053 120.862 119.800 0.014 0.000 2.096 1003 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 1003 Q C 1.200 177.205 176.000 0.007 0.000 0.982 1003 Q CA 1.732 57.539 55.803 0.007 0.000 0.850 1003 Q CB -0.231 28.509 28.738 0.004 0.000 0.901 1003 Q HN 0.630 nan 8.270 nan 0.000 0.422 1004 D N -0.595 119.810 120.400 0.009 0.000 2.349 1004 D HA -0.002 4.638 4.640 -0.000 0.000 0.215 1004 D C 0.261 176.567 176.300 0.011 0.000 1.016 1004 D CA 0.439 54.444 54.000 0.008 0.000 0.870 1004 D CB 0.305 41.109 40.800 0.007 0.000 0.917 1004 D HN -0.099 nan 8.370 nan 0.000 0.524 1005 K N 0.572 120.981 120.400 0.015 0.000 2.328 1005 K HA 0.365 4.685 4.320 -0.000 0.000 0.246 1005 K C 0.275 176.889 176.600 0.024 0.000 0.955 1005 K CA -0.616 55.683 56.287 0.019 0.000 0.817 1005 K CB 2.595 35.109 32.500 0.023 0.000 1.208 1005 K HN -0.068 nan 8.250 nan 0.000 0.432 1010 V N -0.274 119.744 119.914 0.173 0.000 2.630 1010 V HA 0.583 4.703 4.120 -0.000 0.000 0.305 1010 V C -0.262 175.888 176.094 0.093 0.000 1.046 1010 V CA -0.931 61.430 62.300 0.101 0.000 0.934 1010 V CB 1.419 33.257 31.823 0.024 0.000 1.003 1010 V HN 0.527 nan 8.190 nan 0.000 0.451 1011 K N 2.386 122.819 120.400 0.055 0.000 2.326 1011 K HA 0.370 4.690 4.320 -0.000 0.000 0.275 1011 K C -0.080 176.552 176.600 0.053 0.000 1.018 1011 K CA 0.320 56.635 56.287 0.046 0.000 0.962 1011 K CB 0.416 32.931 32.500 0.023 0.000 0.953 1011 K HN 0.830 nan 8.250 nan 0.000 0.475 1012 E N 3.419 123.650 120.200 0.053 0.000 2.683 1012 E HA 0.122 4.472 4.350 -0.000 0.000 0.224 1012 E C -1.753 174.863 176.600 0.028 0.000 1.046 1012 E CA -1.356 55.076 56.400 0.053 0.000 0.811 1012 E CB 0.739 30.486 29.700 0.079 0.000 1.296 1012 E HN 0.467 nan 8.360 nan 0.000 0.421 1013 P HA 0.196 nan 4.420 nan 0.000 0.267 1013 P C 0.101 177.411 177.300 0.017 0.000 1.289 1013 P CA -0.048 63.061 63.100 0.015 0.000 0.866 1013 P CB 0.921 32.622 31.700 0.003 0.000 1.309 1014 G N -0.295 108.505 108.800 0.001 0.000 2.605 1014 G HA2 0.418 4.378 3.960 -0.000 0.000 0.296 1014 G HA3 0.418 4.378 3.960 -0.000 0.000 0.296 1014 G C -1.372 173.494 174.900 -0.058 0.000 1.304 1014 G CA -0.405 44.672 45.100 -0.039 0.000 0.941 1014 G HN -0.086 nan 8.290 nan 0.000 0.475 1015 E N 0.008 120.156 120.200 -0.086 0.000 2.376 1015 E HA 0.412 4.762 4.350 -0.000 0.000 0.266 1015 E C -0.015 176.519 176.600 -0.109 0.000 1.009 1015 E CA 0.178 56.523 56.400 -0.091 0.000 0.902 1015 E CB 0.531 30.179 29.700 -0.086 0.000 0.972 1015 E HN 0.261 nan 8.360 nan 0.000 0.439 1016 S N 5.791 121.407 115.700 -0.140 0.000 2.509 1016 S HA 0.428 4.898 4.470 -0.000 0.000 0.297 1016 S C -2.337 172.043 174.600 -0.367 0.000 1.118 1016 S CA -1.407 56.655 58.200 -0.229 0.000 1.074 1016 S CB 1.458 64.518 63.200 -0.235 0.000 1.038 1016 S HN 0.500 nan 8.310 nan 0.000 0.498 1017 P HA 0.157 nan 4.420 nan 0.000 0.241 1017 P C 0.848 177.929 177.300 -0.365 0.000 1.760 1017 P CA -0.215 62.755 63.100 -0.216 0.000 1.081 1017 P CB -0.780 30.868 31.700 -0.087 0.000 1.975 1018 I N -3.207 117.056 120.570 -0.512 0.000 2.454 1018 I HA -0.176 3.994 4.170 -0.000 0.000 0.254 1018 I C 1.226 177.115 176.117 -0.380 0.000 1.156 1018 I CA 1.323 62.247 61.300 -0.626 0.000 1.433 1018 I CB -0.981 36.599 38.000 -0.700 0.000 1.082 1018 I HN -0.103 nan 8.210 nan 0.000 0.432 1019 F N -0.447 119.581 119.950 0.129 0.000 2.811 1019 F HA 0.109 4.636 4.527 -0.000 0.000 0.301 1019 F C 1.806 177.698 175.800 0.154 0.000 1.151 1019 F CA 0.170 58.228 58.000 0.096 0.000 1.412 1019 F CB -0.119 38.973 39.000 0.153 0.000 1.113 1019 F HN 0.180 nan 8.300 nan 0.000 0.579 1020 W N -1.733 119.768 121.300 0.334 0.000 3.103 1020 W HA 0.128 4.788 4.660 -0.000 0.000 0.325 1020 W C -0.138 176.743 176.519 0.604 0.000 1.170 1020 W CA -0.178 57.449 57.345 0.470 0.000 1.712 1020 W CB 0.177 29.886 29.460 0.415 0.000 1.068 1020 W HN -0.201 nan 8.180 nan 0.000 0.592 1021 Y N 1.391 121.887 120.300 0.327 0.000 2.319 1021 Y HA 0.389 4.939 4.550 -0.000 0.000 0.328 1021 Y C 0.865 176.490 175.900 -0.459 0.000 1.133 1021 Y CA -1.419 56.707 58.100 0.043 0.000 1.265 1021 Y CB 0.293 38.723 38.460 -0.051 0.000 1.218 1021 Y HN -0.227 nan 8.280 nan 0.000 0.508 1022 A N 6.295 128.696 122.820 -0.699 0.000 2.425 1022 A HA 0.245 4.565 4.320 -0.000 0.000 0.242 1022 A C -1.531 175.494 177.584 -0.931 0.000 1.077 1022 A CA -1.096 50.081 52.037 -1.433 0.000 0.781 1022 A CB -0.132 18.402 19.000 -0.778 0.000 1.020 1022 A HN 0.613 nan 8.150 nan 0.000 0.494 1023 P HA -0.225 nan 4.420 nan 0.000 0.216 1023 P C 1.331 178.401 177.300 -0.383 0.000 1.153 1023 P CA 1.764 64.549 63.100 -0.525 0.000 0.858 1023 P CB 0.099 31.557 31.700 -0.404 0.000 0.789 1024 E N -0.521 119.447 120.200 -0.386 0.000 2.274 1024 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 1024 E C 1.542 177.898 176.600 -0.407 0.000 0.996 1024 E CA 1.241 57.453 56.400 -0.314 0.000 0.840 1024 E CB -1.042 28.508 29.700 -0.250 0.000 0.772 1024 E HN 0.167 nan 8.360 nan 0.000 0.491 1025 S N 0.805 116.152 115.700 -0.587 0.000 2.387 1025 S HA -0.025 4.445 4.470 -0.000 0.000 0.226 1025 S C 1.829 176.187 174.600 -0.402 0.000 1.026 1025 S CA 0.525 58.213 58.200 -0.854 0.000 0.972 1025 S CB -0.120 62.249 63.200 -1.385 0.000 0.814 1025 S HN 0.105 nan 8.310 nan 0.000 0.477 1026 L N 1.931 122.999 121.223 -0.258 0.000 2.056 1026 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 1026 L C 2.772 179.544 176.870 -0.163 0.000 1.078 1026 L CA 2.035 56.787 54.840 -0.148 0.000 0.749 1026 L CB -1.643 40.294 42.059 -0.204 0.000 0.901 1026 L HN 0.534 nan 8.230 nan 0.000 0.433 1027 T N -4.790 109.660 114.554 -0.174 0.000 3.010 1027 T HA 0.022 4.372 4.350 -0.000 0.000 0.252 1027 T C 1.382 176.029 174.700 -0.089 0.000 1.047 1027 T CA 0.602 62.633 62.100 -0.115 0.000 1.140 1027 T CB -0.014 68.793 68.868 -0.102 0.000 0.885 1027 T HN 0.357 nan 8.240 nan 0.000 0.464 1028 E N 0.549 120.675 120.200 -0.124 0.000 2.601 1028 E HA 0.333 4.683 4.350 -0.000 0.000 0.219 1028 E C 0.017 176.562 176.600 -0.091 0.000 0.964 1028 E CA -0.145 56.200 56.400 -0.092 0.000 1.050 1028 E CB 0.721 30.365 29.700 -0.094 0.000 1.068 1028 E HN 0.248 nan 8.360 nan 0.000 0.496 1029 S N 1.149 116.765 115.700 -0.140 0.000 3.587 1029 S HA -0.175 4.295 4.470 -0.000 0.000 0.337 1029 S C -0.142 174.354 174.600 -0.173 0.000 1.119 1029 S CA 0.866 59.007 58.200 -0.098 0.000 0.976 1029 S CB -1.100 62.161 63.200 0.102 0.000 0.922 1029 S HN 0.253 nan 8.310 nan 0.000 0.503 1030 K N 0.489 120.665 120.400 -0.373 0.000 2.276 1030 K HA 0.512 4.832 4.320 -0.000 0.000 0.285 1030 K C -0.490 175.787 176.600 -0.538 0.000 1.062 1030 K CA 0.150 56.269 56.287 -0.280 0.000 0.918 1030 K CB 0.479 32.861 32.500 -0.196 0.000 1.055 1030 K HN 0.156 nan 8.250 nan 0.000 0.477 1031 F N 0.992 120.898 119.950 -0.073 0.000 2.520 1031 F HA 0.361 4.888 4.527 -0.000 0.000 0.322 1031 F C 0.505 176.302 175.800 -0.004 0.000 1.103 1031 F CA -0.433 57.530 58.000 -0.061 0.000 0.926 1031 F CB 2.057 41.019 39.000 -0.063 0.000 1.154 1031 F HN 0.555 nan 8.300 nan 0.000 0.453 1032 S N 0.195 116.005 115.700 0.185 0.000 2.727 1032 S HA 0.445 4.915 4.470 -0.000 0.000 0.278 1032 S C 0.012 174.720 174.600 0.180 0.000 1.186 1032 S CA -0.776 57.510 58.200 0.143 0.000 0.836 1032 S CB 1.113 64.357 63.200 0.073 0.000 1.186 1032 S HN 0.214 nan 8.310 nan 0.000 0.499 1033 V N 1.320 121.330 119.914 0.160 0.000 2.332 1033 V HA -0.108 4.012 4.120 -0.000 0.000 0.248 1033 V C 2.987 179.173 176.094 0.153 0.000 1.055 1033 V CA 2.590 65.011 62.300 0.201 0.000 1.038 1033 V CB -1.580 30.339 31.823 0.161 0.000 0.651 1033 V HN 0.992 nan 8.190 nan 0.000 0.450 1034 A N 0.543 123.417 122.820 0.090 0.000 2.015 1034 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 1034 A C 2.498 180.170 177.584 0.146 0.000 1.163 1034 A CA 1.955 54.034 52.037 0.069 0.000 0.646 1034 A CB -0.560 18.468 19.000 0.047 0.000 0.806 1034 A HN 0.690 nan 8.150 nan 0.000 0.448 1035 S N -0.178 115.608 115.700 0.143 0.000 2.414 1035 S HA -0.123 4.347 4.470 -0.000 0.000 0.227 1035 S C 1.334 176.134 174.600 0.333 0.000 1.022 1035 S CA 1.166 59.465 58.200 0.166 0.000 0.958 1035 S CB -0.361 62.833 63.200 -0.010 0.000 0.797 1035 S HN 0.446 nan 8.310 nan 0.000 0.493 1036 D N 1.674 122.288 120.400 0.357 0.000 2.144 1036 D HA -0.008 4.632 4.640 -0.000 0.000 0.199 1036 D C 2.042 178.664 176.300 0.537 0.000 0.984 1036 D CA 0.794 55.085 54.000 0.485 0.000 0.834 1036 D CB -0.432 40.692 40.800 0.540 0.000 0.955 1036 D HN 0.316 nan 8.370 nan 0.000 0.465 1037 V N 0.777 120.851 119.914 0.266 0.000 2.343 1037 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 1037 V C 2.157 178.450 176.094 0.332 0.000 1.051 1037 V CA 1.205 63.531 62.300 0.044 0.000 1.036 1037 V CB -0.434 31.232 31.823 -0.261 0.000 0.654 1037 V HN 0.399 nan 8.190 nan 0.000 0.451 1038 W N 1.193 122.628 121.300 0.225 0.000 2.333 1038 W HA -0.219 4.441 4.660 -0.000 0.000 0.316 1038 W C 2.514 179.314 176.519 0.469 0.000 1.215 1038 W CA 2.251 59.803 57.345 0.346 0.000 1.278 1038 W CB -0.633 28.994 29.460 0.277 0.000 1.154 1038 W HN 0.323 nan 8.180 nan 0.000 0.486 1039 S N 0.744 116.924 115.700 0.800 0.000 2.382 1039 S HA -0.234 4.236 4.470 -0.000 0.000 0.228 1039 S C 1.555 176.524 174.600 0.616 0.000 1.027 1039 S CA 1.577 60.231 58.200 0.757 0.000 0.991 1039 S CB -1.090 62.537 63.200 0.711 0.000 0.823 1039 S HN 0.358 nan 8.310 nan 0.000 0.469 1040 F N 2.734 122.940 119.950 0.427 0.000 2.161 1040 F HA -0.075 4.452 4.527 -0.000 0.000 0.300 1040 F C 2.207 178.144 175.800 0.228 0.000 1.089 1040 F CA 1.344 59.550 58.000 0.343 0.000 1.282 1040 F CB -0.933 38.315 39.000 0.414 0.000 1.010 1040 F HN 0.208 nan 8.300 nan 0.000 0.485 1041 G N -0.009 108.806 108.800 0.024 0.000 2.422 1041 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 1041 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 1041 G C 1.676 176.599 174.900 0.038 0.000 1.146 1041 G CA 1.189 46.088 45.100 -0.334 0.000 0.769 1041 G HN 0.366 nan 8.290 nan 0.000 0.547 1042 V N 0.575 120.745 119.914 0.427 0.000 2.358 1042 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 1042 V C 2.988 179.276 176.094 0.323 0.000 1.047 1042 V CA 1.313 63.839 62.300 0.377 0.000 1.035 1042 V CB -0.435 31.440 31.823 0.087 0.000 0.658 1042 V HN 0.239 nan 8.190 nan 0.000 0.452 1043 V N -0.120 119.967 119.914 0.289 0.000 2.287 1043 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 1043 V C 2.414 178.550 176.094 0.072 0.000 1.053 1043 V CA 2.176 64.613 62.300 0.229 0.000 1.027 1043 V CB -0.616 31.304 31.823 0.162 0.000 0.646 1043 V HN 0.504 nan 8.190 nan 0.000 0.447 1044 L N -0.608 120.521 121.223 -0.156 0.000 2.046 1044 L HA -0.185 4.154 4.340 -0.000 0.000 0.208 1044 L C 2.278 179.207 176.870 0.099 0.000 1.077 1044 L CA 2.081 56.845 54.840 -0.126 0.000 0.747 1044 L CB -0.969 40.848 42.059 -0.404 0.000 0.896 1044 L HN 0.495 nan 8.230 nan 0.000 0.432 1045 Y N 0.651 120.971 120.300 0.035 0.000 2.097 1045 Y HA -0.297 4.253 4.550 -0.000 0.000 0.282 1045 Y C 2.405 178.388 175.900 0.139 0.000 1.152 1045 Y CA 2.309 60.492 58.100 0.138 0.000 1.136 1045 Y CB -0.278 38.333 38.460 0.250 0.000 0.975 1045 Y HN 0.362 nan 8.280 nan 0.000 0.498 1046 E N 0.303 120.625 120.200 0.203 0.000 2.049 1046 E HA -0.275 4.075 4.350 -0.000 0.000 0.198 1046 E C 2.251 178.842 176.600 -0.016 0.000 1.007 1046 E CA 1.880 58.351 56.400 0.118 0.000 0.809 1046 E CB -0.457 29.414 29.700 0.285 0.000 0.749 1046 E HN 0.528 nan 8.360 nan 0.000 0.450 1047 L N -0.296 120.936 121.223 0.015 0.000 2.012 1047 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 1047 L C 2.276 178.916 176.870 -0.384 0.000 1.073 1047 L CA 1.213 55.980 54.840 -0.123 0.000 0.748 1047 L CB -0.368 41.679 42.059 -0.020 0.000 0.891 1047 L HN 0.111 nan 8.230 nan 0.000 0.431 1048 F N -0.276 119.498 119.950 -0.293 0.000 2.780 1048 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 1048 F C 2.519 178.203 175.800 -0.194 0.000 1.146 1048 F CA 1.143 58.978 58.000 -0.275 0.000 1.428 1048 F CB -0.531 38.355 39.000 -0.190 0.000 1.115 1048 F HN 0.154 nan 8.300 nan 0.000 0.583 1049 T N -4.844 109.617 114.554 -0.155 0.000 3.081 1049 T HA -0.085 4.265 4.350 -0.000 0.000 0.255 1049 T C 0.614 175.380 174.700 0.110 0.000 1.113 1049 T CA 0.183 62.228 62.100 -0.091 0.000 1.082 1049 T CB -0.815 67.887 68.868 -0.276 0.000 0.939 1049 T HN 0.313 nan 8.240 nan 0.000 0.506 1050 Y N 1.854 122.121 120.300 -0.055 0.000 4.079 1050 Y HA -0.206 4.344 4.550 -0.000 0.000 0.223 1050 Y C 0.533 176.430 175.900 -0.006 0.000 1.155 1050 Y CA 0.293 58.375 58.100 -0.030 0.000 1.805 1050 Y CB -2.346 36.090 38.460 -0.039 0.000 1.571 1050 Y HN 0.295 nan 8.280 nan 0.000 0.654 1051 I N -1.300 119.324 120.570 0.089 0.000 6.532 1051 I HA -0.313 3.857 4.170 -0.000 0.000 0.126 1051 I C 0.828 176.996 176.117 0.085 0.000 1.811 1051 I CA 1.175 62.531 61.300 0.094 0.000 2.115 1051 I CB -1.741 36.322 38.000 0.106 0.000 3.474 1051 I HN 0.607 nan 8.210 nan 0.000 0.192 1052 E N 2.050 122.293 120.200 0.073 0.000 2.351 1052 E HA 0.035 4.385 4.350 -0.000 0.000 0.266 1052 E C 1.299 177.927 176.600 0.047 0.000 1.031 1052 E CA -0.161 56.269 56.400 0.050 0.000 0.911 1052 E CB 0.728 30.450 29.700 0.037 0.000 0.986 1052 E HN 0.306 nan 8.360 nan 0.000 0.446 1053 K N 1.510 121.936 120.400 0.043 0.000 2.074 1053 K HA -0.198 4.122 4.320 -0.000 0.000 0.209 1053 K C 1.969 178.590 176.600 0.036 0.000 1.048 1053 K CA 1.943 58.257 56.287 0.045 0.000 0.926 1053 K CB -0.046 32.475 32.500 0.036 0.000 0.713 1053 K HN 0.514 nan 8.250 nan 0.000 0.444 1054 S N 0.362 116.076 115.700 0.022 0.000 2.515 1054 S HA 0.005 4.475 4.470 -0.000 0.000 0.231 1054 S C 1.293 175.900 174.600 0.011 0.000 0.987 1054 S CA 0.681 58.887 58.200 0.010 0.000 0.936 1054 S CB 0.127 63.329 63.200 0.003 0.000 0.766 1054 S HN 0.110 nan 8.310 nan 0.000 0.528 1055 K N 2.237 122.655 120.400 0.030 0.000 2.358 1055 K HA 0.227 4.547 4.320 -0.000 0.000 0.197 1055 K C 0.699 177.371 176.600 0.119 0.000 1.025 1055 K CA 0.228 56.547 56.287 0.053 0.000 1.104 1055 K CB 0.495 33.009 32.500 0.023 0.000 0.855 1055 K HN 0.601 nan 8.250 nan 0.000 0.531 1056 S N 1.372 117.126 115.700 0.089 0.000 2.573 1056 S HA 0.091 4.561 4.470 -0.000 0.000 0.277 1056 S C -1.808 172.788 174.600 -0.006 0.000 1.346 1056 S CA -0.806 57.467 58.200 0.122 0.000 1.034 1056 S CB 1.006 64.284 63.200 0.129 0.000 0.879 1056 S HN -0.168 nan 8.310 nan 0.000 0.528 1057 P HA -0.058 nan 4.420 nan 0.000 0.215 1057 P C -1.516 175.535 177.300 -0.416 0.000 1.157 1057 P CA 1.510 64.340 63.100 -0.452 0.000 0.874 1057 P CB -1.223 29.996 31.700 -0.801 0.000 0.790 1058 P HA -0.141 nan 4.420 nan 0.000 0.216 1058 P C 1.494 178.468 177.300 -0.543 0.000 1.153 1058 P CA 2.014 64.623 63.100 -0.818 0.000 0.848 1058 P CB -0.687 30.867 31.700 -0.243 0.000 0.787 1059 A N 0.005 122.675 122.820 -0.250 0.000 1.902 1059 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 1059 A C 2.205 179.684 177.584 -0.174 0.000 1.181 1059 A CA 1.551 53.494 52.037 -0.156 0.000 0.623 1059 A CB -1.053 17.906 19.000 -0.068 0.000 0.818 1059 A HN 0.091 nan 8.150 nan 0.000 0.443 1060 E N -0.942 119.116 120.200 -0.237 0.000 2.112 1060 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 1060 E C 1.785 178.210 176.600 -0.292 0.000 0.979 1060 E CA 0.729 56.966 56.400 -0.271 0.000 0.814 1060 E CB -0.347 29.138 29.700 -0.359 0.000 0.762 1060 E HN 0.766 nan 8.360 nan 0.000 0.460 1061 F N 0.492 120.263 119.950 -0.297 0.000 2.146 1061 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 1061 F C 2.490 178.205 175.800 -0.141 0.000 1.096 1061 F CA 0.566 58.439 58.000 -0.213 0.000 1.275 1061 F CB -0.066 38.821 39.000 -0.188 0.000 1.008 1061 F HN -0.013 nan 8.300 nan 0.000 0.480 1062 M N -0.282 119.293 119.600 -0.042 0.000 2.279 1062 M HA -0.162 4.318 4.480 -0.000 0.000 0.264 1062 M C 2.080 178.375 176.300 -0.009 0.000 1.062 1062 M CA 1.326 56.620 55.300 -0.009 0.000 1.099 1062 M CB -1.173 31.391 32.600 -0.060 0.000 1.394 1062 M HN 0.131 nan 8.290 nan 0.000 0.426 1063 R N 0.850 121.329 120.500 -0.035 0.000 2.062 1063 R HA -0.096 4.244 4.340 -0.000 0.000 0.229 1063 R C 2.252 178.544 176.300 -0.013 0.000 1.128 1063 R CA 1.431 57.513 56.100 -0.031 0.000 0.960 1063 R CB -0.114 30.156 30.300 -0.050 0.000 0.855 1063 R HN 0.445 nan 8.270 nan 0.000 0.432 1064 M N -1.216 118.384 119.600 0.000 0.000 2.492 1064 M HA 0.056 4.536 4.480 -0.000 0.000 0.262 1064 M C 1.523 177.848 176.300 0.041 0.000 1.090 1064 M CA 1.321 56.633 55.300 0.020 0.000 1.110 1064 M CB -0.034 32.579 32.600 0.023 0.000 1.407 1064 M HN 0.078 nan 8.290 nan 0.000 0.470 1065 I N 1.385 121.987 120.570 0.053 0.000 2.339 1065 I HA 0.179 4.349 4.170 -0.000 0.000 0.245 1065 I C 0.863 176.953 176.117 -0.046 0.000 1.096 1065 I CA 1.118 62.431 61.300 0.022 0.000 1.408 1065 I CB -0.158 37.878 38.000 0.059 0.000 1.092 1065 I HN 0.569 nan 8.210 nan 0.000 0.423 1066 G N 1.321 110.104 108.800 -0.029 0.000 3.326 1066 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.681 1066 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.681 1066 G C -0.174 174.706 174.900 -0.033 0.000 1.255 1066 G CA -0.673 44.403 45.100 -0.041 0.000 0.976 1066 G HN 0.040 nan 8.290 nan 0.000 0.563 1067 N N 0.606 119.296 118.700 -0.017 0.000 2.520 1067 N HA -0.057 4.683 4.740 -0.000 0.000 0.185 1067 N C 1.242 176.750 175.510 -0.004 0.000 1.068 1067 N CA 1.334 54.381 53.050 -0.005 0.000 0.911 1067 N CB 0.145 38.631 38.487 -0.002 0.000 0.961 1067 N HN 0.669 nan 8.380 nan 0.000 0.446 1068 D N 0.540 120.930 120.400 -0.016 0.000 2.363 1068 D HA 0.009 4.649 4.640 -0.000 0.000 0.226 1068 D C 1.148 177.440 176.300 -0.015 0.000 1.020 1068 D CA 0.591 54.584 54.000 -0.012 0.000 0.892 1068 D CB -0.074 40.717 40.800 -0.015 0.000 0.900 1068 D HN 0.310 nan 8.370 nan 0.000 0.531 1069 K N 0.564 120.946 120.400 -0.030 0.000 2.149 1069 K HA 0.203 4.523 4.320 -0.000 0.000 0.245 1069 K C 0.809 177.430 176.600 0.036 0.000 1.024 1069 K CA -0.316 55.956 56.287 -0.024 0.000 0.899 1069 K CB 0.011 32.458 32.500 -0.088 0.000 1.038 1069 K HN 0.074 nan 8.250 nan 0.000 0.496 1070 Q N -1.220 118.626 119.800 0.076 0.000 2.618 1070 Q HA 0.383 4.723 4.340 -0.000 0.000 0.194 1070 Q C 1.639 177.691 176.000 0.088 0.000 1.131 1070 Q CA 0.510 56.362 55.803 0.081 0.000 0.910 1070 Q CB 0.280 29.074 28.738 0.093 0.000 3.508 1070 Q HN 0.829 nan 8.270 nan 0.000 0.473 1071 G N -0.924 107.926 108.800 0.084 0.000 2.853 1071 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.202 1071 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.202 1071 G C 0.994 175.938 174.900 0.073 0.000 1.118 1071 G CA 0.045 45.189 45.100 0.073 0.000 0.831 1071 G HN 0.351 nan 8.290 nan 0.000 0.613 1072 Q N -0.143 119.706 119.800 0.081 0.000 2.378 1072 Q HA 0.159 4.499 4.340 -0.000 0.000 0.205 1072 Q C 2.281 178.379 176.000 0.164 0.000 0.954 1072 Q CA 0.419 56.276 55.803 0.091 0.000 0.901 1072 Q CB -0.004 28.794 28.738 0.100 0.000 0.981 1072 Q HN 0.340 nan 8.270 nan 0.000 0.483 1073 M N -0.216 119.501 119.600 0.195 0.000 2.506 1073 M HA -0.003 4.477 4.480 -0.000 0.000 0.260 1073 M C 1.866 178.341 176.300 0.293 0.000 1.104 1073 M CA 0.768 56.239 55.300 0.286 0.000 1.112 1073 M CB -0.310 32.457 32.600 0.279 0.000 1.401 1073 M HN 0.243 nan 8.290 nan 0.000 0.473 1074 I N 0.012 120.694 120.570 0.186 0.000 2.118 1074 I HA -0.303 3.867 4.170 -0.000 0.000 0.241 1074 I C 2.373 178.504 176.117 0.022 0.000 1.070 1074 I CA 1.258 62.646 61.300 0.146 0.000 1.327 1074 I CB -0.597 37.465 38.000 0.104 0.000 1.034 1074 I HN 0.021 nan 8.210 nan 0.000 0.405 1075 V N 0.515 120.327 119.914 -0.169 0.000 2.332 1075 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 1075 V C 2.222 178.116 176.094 -0.332 0.000 1.055 1075 V CA 2.075 64.155 62.300 -0.368 0.000 1.038 1075 V CB -0.819 30.666 31.823 -0.564 0.000 0.651 1075 V HN 0.272 nan 8.190 nan 0.000 0.450 1076 F N -0.913 118.980 119.950 -0.094 0.000 2.186 1076 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 1076 F C 2.590 178.295 175.800 -0.159 0.000 1.090 1076 F CA 1.539 59.452 58.000 -0.145 0.000 1.307 1076 F CB -0.544 38.342 39.000 -0.191 0.000 1.019 1076 F HN 0.219 nan 8.300 nan 0.000 0.489 1077 H N -0.377 118.773 119.070 0.132 0.000 2.389 1077 H HA -0.121 4.435 4.556 -0.000 0.000 0.299 1077 H C 2.234 177.576 175.328 0.023 0.000 1.081 1077 H CA 1.437 57.531 56.048 0.077 0.000 1.345 1077 H CB -0.550 29.259 29.762 0.078 0.000 1.393 1077 H HN 0.229 nan 8.280 nan 0.000 0.520 1078 L N 1.049 122.319 121.223 0.078 0.000 2.017 1078 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 1078 L C 2.310 179.119 176.870 -0.102 0.000 1.073 1078 L CA 1.248 56.048 54.840 -0.067 0.000 0.745 1078 L CB -0.775 41.155 42.059 -0.214 0.000 0.894 1078 L HN 0.100 nan 8.230 nan 0.000 0.432 1079 I N -0.503 120.008 120.570 -0.099 0.000 2.163 1079 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 1079 I C 2.465 178.567 176.117 -0.024 0.000 1.085 1079 I CA 1.225 62.474 61.300 -0.085 0.000 1.347 1079 I CB -0.431 37.528 38.000 -0.069 0.000 1.044 1079 I HN 0.304 nan 8.210 nan 0.000 0.408 1080 E N 0.395 120.606 120.200 0.018 0.000 2.077 1080 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 1080 E C 2.099 178.730 176.600 0.052 0.000 0.989 1080 E CA 1.099 57.522 56.400 0.038 0.000 0.800 1080 E CB -0.528 29.205 29.700 0.054 0.000 0.746 1080 E HN 0.328 nan 8.360 nan 0.000 0.452 1081 L N 0.853 122.115 121.223 0.065 0.000 2.012 1081 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 1081 L C 2.283 179.200 176.870 0.078 0.000 1.073 1081 L CA 1.551 56.440 54.840 0.081 0.000 0.748 1081 L CB -0.566 41.554 42.059 0.102 0.000 0.891 1081 L HN 0.074 nan 8.230 nan 0.000 0.431 1082 L N -0.680 120.571 121.223 0.047 0.000 2.093 1082 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 1082 L C 2.638 179.559 176.870 0.085 0.000 1.085 1082 L CA 1.457 56.347 54.840 0.084 0.000 0.755 1082 L CB -0.624 41.453 42.059 0.030 0.000 0.904 1082 L HN 0.323 nan 8.230 nan 0.000 0.435 1083 K N 0.341 120.766 120.400 0.042 0.000 2.097 1083 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 1083 K C 1.161 177.793 176.600 0.053 0.000 1.049 1083 K CA 1.178 57.488 56.287 0.038 0.000 0.933 1083 K CB 0.084 32.595 32.500 0.018 0.000 0.717 1083 K HN 0.293 nan 8.250 nan 0.000 0.442 1084 N N 1.953 120.688 118.700 0.059 0.000 2.362 1084 N HA -0.022 4.718 4.740 -0.000 0.000 0.211 1084 N C -0.563 174.991 175.510 0.072 0.000 1.170 1084 N CA 0.231 53.316 53.050 0.060 0.000 0.828 1084 N CB 0.164 38.685 38.487 0.057 0.000 1.034 1084 N HN 0.198 nan 8.380 nan 0.000 0.475 1085 N N -0.043 118.711 118.700 0.089 0.000 2.714 1085 N HA -0.133 4.607 4.740 -0.000 0.000 0.250 1085 N C 0.279 175.852 175.510 0.106 0.000 1.117 1085 N CA 0.981 54.094 53.050 0.105 0.000 0.719 1085 N CB -1.334 37.206 38.487 0.089 0.000 1.081 1085 N HN 0.367 nan 8.380 nan 0.000 0.557 1086 G N 0.004 108.870 108.800 0.110 0.000 2.378 1086 G HA2 0.490 4.450 3.960 -0.000 0.000 0.255 1086 G HA3 0.490 4.450 3.960 -0.000 0.000 0.255 1086 G C 0.272 175.253 174.900 0.134 0.000 1.270 1086 G CA -0.086 45.083 45.100 0.114 0.000 0.876 1086 G HN 0.264 nan 8.290 nan 0.000 0.521 1087 R N 0.417 120.958 120.500 0.069 0.000 2.764 1087 R HA 0.386 4.726 4.340 -0.000 0.000 0.270 1087 R C -0.317 175.836 176.300 -0.245 0.000 1.014 1087 R CA -0.944 55.117 56.100 -0.065 0.000 0.904 1087 R CB 1.494 31.788 30.300 -0.010 0.000 1.236 1087 R HN 0.460 nan 8.270 nan 0.000 0.466 1088 L N 3.693 124.530 121.223 -0.644 0.000 2.514 1088 L HA 0.188 4.528 4.340 -0.000 0.000 0.280 1088 L C -1.680 175.127 176.870 -0.106 0.000 1.223 1088 L CA -1.077 53.337 54.840 -0.710 0.000 0.864 1088 L CB 0.043 41.306 42.059 -1.327 0.000 1.118 1088 L HN 0.375 nan 8.230 nan 0.000 0.494 1089 P HA 0.076 nan 4.420 nan 0.000 0.276 1089 P C -0.838 176.477 177.300 0.025 0.000 1.261 1089 P CA -0.751 62.366 63.100 0.028 0.000 0.800 1089 P CB 0.563 32.247 31.700 -0.027 0.000 1.066 1090 R N 1.529 121.715 120.500 -0.523 0.000 2.421 1090 R HA 0.177 4.517 4.340 -0.000 0.000 0.305 1090 R C -1.935 174.243 176.300 -0.203 0.000 1.039 1090 R CA -1.148 54.504 56.100 -0.747 0.000 1.003 1090 R CB -0.677 29.001 30.300 -1.037 0.000 0.959 1090 R HN 0.350 nan 8.270 nan 0.000 0.427 1091 P HA -0.029 nan 4.420 nan 0.000 0.268 1091 P C -1.084 176.205 177.300 -0.018 0.000 1.208 1091 P CA -0.037 63.032 63.100 -0.051 0.000 0.777 1091 P CB 0.461 32.110 31.700 -0.085 0.000 0.875 1092 D N 1.433 121.838 120.400 0.009 0.000 2.531 1092 D HA 0.174 4.814 4.640 -0.000 0.000 0.239 1092 D C 1.620 177.975 176.300 0.092 0.000 1.144 1092 D CA 1.779 55.796 54.000 0.030 0.000 0.869 1092 D CB -0.186 40.629 40.800 0.026 0.000 1.160 1092 D HN 0.685 nan 8.370 nan 0.000 0.484 1093 G N 2.244 111.092 108.800 0.080 0.000 2.168 1093 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.263 1093 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.263 1093 G C 0.652 175.669 174.900 0.194 0.000 0.977 1093 G CA 0.266 45.456 45.100 0.150 0.000 0.659 1093 G HN 0.731 nan 8.290 nan 0.000 0.533 1094 C N 2.378 121.733 119.300 0.092 0.000 2.629 1094 C HA 0.587 5.047 4.460 -0.000 0.000 0.410 1094 C C -1.155 173.780 174.990 -0.093 0.000 1.339 1094 C CA -1.711 57.293 59.018 -0.023 0.000 1.810 1094 C CB 0.018 27.705 27.740 -0.089 0.000 2.549 1094 C HN 0.395 nan 8.230 nan 0.000 0.589 1095 P HA 0.123 nan 4.420 nan 0.000 0.268 1095 P C 0.503 177.745 177.300 -0.096 0.000 1.205 1095 P CA 0.260 63.304 63.100 -0.093 0.000 0.771 1095 P CB 0.540 32.184 31.700 -0.094 0.000 0.858 1096 D N 1.760 122.138 120.400 -0.037 0.000 2.149 1096 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 1096 D C 1.543 177.834 176.300 -0.014 0.000 0.990 1096 D CA 1.408 55.414 54.000 0.009 0.000 0.839 1096 D CB 0.018 40.828 40.800 0.016 0.000 0.948 1096 D HN 0.603 nan 8.370 nan 0.000 0.460 1097 E N -0.036 120.133 120.200 -0.052 0.000 2.110 1097 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 1097 E C 2.056 178.577 176.600 -0.131 0.000 0.988 1097 E CA 0.627 56.983 56.400 -0.074 0.000 0.804 1097 E CB 0.170 29.836 29.700 -0.055 0.000 0.745 1097 E HN 0.149 nan 8.360 nan 0.000 0.458 1098 I N 0.194 120.646 120.570 -0.197 0.000 2.286 1098 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 1098 I C 2.230 178.158 176.117 -0.315 0.000 1.104 1098 I CA 1.184 62.280 61.300 -0.341 0.000 1.397 1098 I CB -1.441 36.150 38.000 -0.681 0.000 1.072 1098 I HN 0.255 nan 8.210 nan 0.000 0.417 1099 Y N 1.283 121.376 120.300 -0.345 0.000 2.274 1099 Y HA -0.208 4.342 4.550 -0.000 0.000 0.290 1099 Y C 2.772 178.518 175.900 -0.257 0.000 1.145 1099 Y CA 1.467 59.401 58.100 -0.277 0.000 1.203 1099 Y CB -0.010 38.349 38.460 -0.168 0.000 0.984 1099 Y HN -0.004 nan 8.280 nan 0.000 0.533 1100 M N -0.466 118.980 119.600 -0.255 0.000 2.213 1100 M HA -0.218 4.262 4.480 -0.000 0.000 0.263 1100 M C 1.934 178.030 176.300 -0.340 0.000 1.062 1100 M CA 1.527 56.652 55.300 -0.291 0.000 1.105 1100 M CB -0.254 32.257 32.600 -0.147 0.000 1.385 1100 M HN 0.348 nan 8.290 nan 0.000 0.417 1101 I N -0.242 120.140 120.570 -0.313 0.000 2.226 1101 I HA -0.322 3.848 4.170 -0.000 0.000 0.245 1101 I C 2.415 178.244 176.117 -0.479 0.000 1.100 1101 I CA 1.324 62.448 61.300 -0.293 0.000 1.374 1101 I CB -0.317 37.569 38.000 -0.190 0.000 1.057 1101 I HN 0.321 nan 8.210 nan 0.000 0.413 1102 M N 0.368 119.553 119.600 -0.692 0.000 2.065 1102 M HA -0.211 4.268 4.480 -0.000 0.000 0.259 1102 M C 2.534 177.895 176.300 -1.565 0.000 1.069 1102 M CA 2.668 57.221 55.300 -1.246 0.000 1.110 1102 M CB -0.710 31.143 32.600 -1.244 0.000 1.328 1102 M HN 0.419 nan 8.290 nan 0.000 0.405 1103 T N -2.017 111.897 114.554 -1.066 0.000 2.788 1103 T HA -0.127 4.222 4.350 -0.000 0.000 0.268 1103 T C 1.534 176.001 174.700 -0.388 0.000 1.044 1103 T CA 1.458 63.191 62.100 -0.612 0.000 1.139 1103 T CB -0.531 68.043 68.868 -0.490 0.000 0.867 1103 T HN 0.451 nan 8.240 nan 0.000 0.454 1104 E N 0.209 120.182 120.200 -0.378 0.000 2.106 1104 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 1104 E C 2.423 178.893 176.600 -0.216 0.000 0.984 1104 E CA 1.232 57.494 56.400 -0.230 0.000 0.806 1104 E CB -0.367 29.219 29.700 -0.191 0.000 0.750 1104 E HN 0.561 nan 8.360 nan 0.000 0.458 1105 C N 0.292 119.374 119.300 -0.364 0.000 2.422 1105 C HA -0.115 4.345 4.460 -0.000 0.000 0.279 1105 C C 1.205 176.069 174.990 -0.209 0.000 1.305 1105 C CA 0.072 58.914 59.018 -0.294 0.000 1.757 1105 C CB -0.847 26.655 27.740 -0.397 0.000 1.962 1105 C HN 0.521 nan 8.230 nan 0.000 0.499 1106 W N 1.995 123.043 121.300 -0.421 0.000 3.040 1106 W HA 0.320 4.980 4.660 -0.000 0.000 0.444 1106 W C 0.451 176.866 176.519 -0.174 0.000 0.793 1106 W CA -0.929 55.938 57.345 -0.798 0.000 2.104 1106 W CB -1.575 27.284 29.460 -1.002 0.000 1.060 1106 W HN 0.326 nan 8.180 nan 0.000 0.842 1107 N N 1.437 120.280 118.700 0.239 0.000 2.488 1107 N HA -0.004 4.736 4.740 -0.000 0.000 0.274 1107 N C 1.091 176.825 175.510 0.374 0.000 1.111 1107 N CA 0.224 53.421 53.050 0.244 0.000 0.974 1107 N CB 0.774 39.334 38.487 0.122 0.000 1.089 1107 N HN -0.000 nan 8.380 nan 0.000 0.465 1108 N N 1.707 120.582 118.700 0.292 0.000 2.205 1108 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 1108 N C 0.023 175.599 175.510 0.109 0.000 1.015 1108 N CA 0.849 54.016 53.050 0.195 0.000 0.862 1108 N CB -0.284 38.280 38.487 0.128 0.000 0.986 1108 N HN 0.564 nan 8.380 nan 0.000 0.429 1109 N N 1.156 119.916 118.700 0.099 0.000 2.399 1109 N HA 0.024 4.764 4.740 -0.000 0.000 0.259 1109 N C 1.111 176.662 175.510 0.068 0.000 1.160 1109 N CA -0.005 53.081 53.050 0.061 0.000 0.946 1109 N CB 0.762 39.276 38.487 0.045 0.000 1.156 1109 N HN -0.231 nan 8.380 nan 0.000 0.489 1110 V N 4.179 124.121 119.914 0.047 0.000 2.317 1110 V HA -0.324 3.796 4.120 -0.000 0.000 0.251 1110 V C 1.522 177.636 176.094 0.033 0.000 1.065 1110 V CA 2.057 64.383 62.300 0.043 0.000 1.049 1110 V CB -0.632 31.196 31.823 0.008 0.000 0.651 1110 V HN 0.738 nan 8.190 nan 0.000 0.450 1111 N N -0.849 117.863 118.700 0.020 0.000 2.459 1111 N HA -0.137 4.603 4.740 -0.000 0.000 0.181 1111 N C 1.721 177.235 175.510 0.008 0.000 1.046 1111 N CA 0.479 53.535 53.050 0.011 0.000 0.904 1111 N CB -0.059 38.432 38.487 0.007 0.000 0.964 1111 N HN 0.559 nan 8.380 nan 0.000 0.444 1112 Q N 0.194 120.004 119.800 0.017 0.000 2.360 1112 Q HA 0.146 4.486 4.340 -0.000 0.000 0.202 1112 Q C -0.268 175.733 176.000 0.001 0.000 0.915 1112 Q CA -0.064 55.744 55.803 0.009 0.000 0.943 1112 Q CB 0.493 29.241 28.738 0.017 0.000 1.064 1112 Q HN 0.276 nan 8.270 nan 0.000 0.511 1113 R N 2.185 122.692 120.500 0.011 0.000 2.438 1113 R HA 0.160 4.500 4.340 -0.000 0.000 0.287 1113 R C -2.197 174.065 176.300 -0.064 0.000 1.077 1113 R CA -1.433 54.660 56.100 -0.011 0.000 1.034 1113 R CB 0.101 30.422 30.300 0.034 0.000 0.993 1113 R HN 0.051 nan 8.270 nan 0.000 0.459 1114 P HA -0.018 nan 4.420 nan 0.000 0.272 1114 P C -0.442 176.742 177.300 -0.194 0.000 1.230 1114 P CA -0.329 62.698 63.100 -0.122 0.000 0.788 1114 P CB 0.817 32.445 31.700 -0.121 0.000 0.949 1115 S N 0.325 115.932 115.700 -0.155 0.000 2.614 1115 S HA 0.204 4.674 4.470 -0.000 0.000 0.265 1115 S C 0.995 175.463 174.600 -0.221 0.000 1.303 1115 S CA -0.343 57.753 58.200 -0.173 0.000 1.000 1115 S CB -0.021 63.145 63.200 -0.057 0.000 0.935 1115 S HN 0.222 nan 8.310 nan 0.000 0.551 1116 F N 0.610 120.503 119.950 -0.094 0.000 2.234 1116 F HA 0.097 4.624 4.527 -0.000 0.000 0.299 1116 F C 2.709 178.442 175.800 -0.112 0.000 1.087 1116 F CA 1.211 59.114 58.000 -0.161 0.000 1.340 1116 F CB -0.483 38.422 39.000 -0.157 0.000 1.031 1116 F HN 0.657 nan 8.300 nan 0.000 0.500 1117 R N 0.575 121.139 120.500 0.107 0.000 2.083 1117 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 1117 R C 1.821 178.136 176.300 0.025 0.000 1.137 1117 R CA 2.074 58.209 56.100 0.058 0.000 0.951 1117 R CB -0.421 29.906 30.300 0.045 0.000 0.851 1117 R HN 0.185 nan 8.270 nan 0.000 0.434 1118 D N 0.457 120.856 120.400 -0.002 0.000 2.144 1118 D HA -0.135 4.505 4.640 -0.000 0.000 0.200 1118 D C 2.066 178.355 176.300 -0.018 0.000 0.978 1118 D CA 0.994 54.984 54.000 -0.016 0.000 0.833 1118 D CB -0.048 40.730 40.800 -0.035 0.000 0.961 1118 D HN 0.282 nan 8.370 nan 0.000 0.470 1119 L N 0.962 122.162 121.223 -0.038 0.000 2.046 1119 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 1119 L C 2.643 179.527 176.870 0.024 0.000 1.077 1119 L CA 1.167 55.992 54.840 -0.026 0.000 0.747 1119 L CB -0.382 41.605 42.059 -0.120 0.000 0.896 1119 L HN -0.031 nan 8.230 nan 0.000 0.432 1120 A N -0.040 122.797 122.820 0.029 0.000 1.902 1120 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 1120 A C 2.238 179.848 177.584 0.044 0.000 1.181 1120 A CA 1.463 53.530 52.037 0.049 0.000 0.623 1120 A CB -0.681 18.349 19.000 0.051 0.000 0.818 1120 A HN 0.360 nan 8.150 nan 0.000 0.443 1121 L N -1.288 119.954 121.223 0.030 0.000 2.056 1121 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 1121 L C 2.875 179.758 176.870 0.021 0.000 1.078 1121 L CA 1.382 56.236 54.840 0.023 0.000 0.749 1121 L CB -0.402 41.666 42.059 0.015 0.000 0.901 1121 L HN 0.333 nan 8.230 nan 0.000 0.433 1122 R N -0.759 119.751 120.500 0.017 0.000 2.075 1122 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 1122 R C 2.254 178.569 176.300 0.024 0.000 1.126 1122 R CA 1.183 57.289 56.100 0.011 0.000 0.963 1122 R CB -0.428 29.871 30.300 -0.002 0.000 0.858 1122 R HN 0.150 nan 8.270 nan 0.000 0.435 1123 V N 1.482 121.425 119.914 0.048 0.000 2.295 1123 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 1123 V C 1.534 177.662 176.094 0.056 0.000 1.049 1123 V CA 1.923 64.264 62.300 0.068 0.000 1.024 1123 V CB -0.406 31.489 31.823 0.120 0.000 0.648 1123 V HN 0.265 nan 8.190 nan 0.000 0.447 1124 D N -0.622 119.808 120.400 0.050 0.000 2.144 1124 D HA -0.201 4.439 4.640 -0.000 0.000 0.199 1124 D C 2.161 178.479 176.300 0.030 0.000 0.984 1124 D CA 1.352 55.376 54.000 0.040 0.000 0.834 1124 D CB -0.192 40.630 40.800 0.037 0.000 0.955 1124 D HN 0.546 nan 8.370 nan 0.000 0.465 1125 Q N 0.157 119.972 119.800 0.025 0.000 2.079 1125 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 1125 Q C 2.299 178.310 176.000 0.018 0.000 0.974 1125 Q CA 0.908 56.722 55.803 0.018 0.000 0.840 1125 Q CB -0.043 28.702 28.738 0.012 0.000 0.898 1125 Q HN 0.283 nan 8.270 nan 0.000 0.430 1126 I N 0.188 120.771 120.570 0.021 0.000 2.226 1126 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 1126 I C 2.512 178.649 176.117 0.033 0.000 1.100 1126 I CA 1.081 62.394 61.300 0.023 0.000 1.374 1126 I CB -0.263 37.748 38.000 0.018 0.000 1.057 1126 I HN 0.160 nan 8.210 nan 0.000 0.413 1127 R N 0.760 121.283 120.500 0.038 0.000 2.083 1127 R HA -0.189 4.151 4.340 -0.000 0.000 0.237 1127 R C 1.926 178.241 176.300 0.026 0.000 1.137 1127 R CA 1.843 57.965 56.100 0.036 0.000 0.951 1127 R CB -0.406 29.914 30.300 0.033 0.000 0.851 1127 R HN 0.352 nan 8.270 nan 0.000 0.434 1128 D N 0.353 120.766 120.400 0.022 0.000 2.117 1128 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 1128 D C 1.947 178.257 176.300 0.017 0.000 0.987 1128 D CA 1.209 55.219 54.000 0.017 0.000 0.829 1128 D CB -0.145 40.663 40.800 0.015 0.000 0.961 1128 D HN 0.316 nan 8.370 nan 0.000 0.460 1129 Q N -0.461 119.350 119.800 0.018 0.000 2.119 1129 Q HA 0.007 4.347 4.340 -0.000 0.000 0.201 1129 Q C 2.231 178.244 176.000 0.022 0.000 0.972 1129 Q CA 0.817 56.631 55.803 0.018 0.000 0.847 1129 Q CB -0.030 28.718 28.738 0.016 0.000 0.903 1129 Q HN 0.308 nan 8.270 nan 0.000 0.433 1130 M N -0.431 119.187 119.600 0.029 0.000 2.254 1130 M HA -0.066 4.414 4.480 -0.000 0.000 0.265 1130 M C 1.917 178.234 176.300 0.028 0.000 1.066 1130 M CA 1.115 56.437 55.300 0.037 0.000 1.123 1130 M CB 0.053 32.686 32.600 0.055 0.000 1.388 1130 M HN 0.155 nan 8.290 nan 0.000 0.425 1131 A N 0.323 123.156 122.820 0.021 0.000 2.251 1131 A HA 0.327 4.647 4.320 -0.000 0.000 0.209 1131 A C 1.295 178.886 177.584 0.011 0.000 1.187 1131 A CA 0.321 52.366 52.037 0.014 0.000 0.823 1131 A CB -0.916 18.090 19.000 0.010 0.000 0.846 1131 A HN 0.434 nan 8.150 nan 0.000 0.486 1132 G N 0.000 108.808 108.800 0.013 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