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 2qu5_1_A DATA FIRST_RESID 816 DATA SEQUENCE HAERLPYDAS KWEFPRDRLK LGKPLGRGAF GQVIEADAFG IDKTATCRTV DATA SEQUENCE AVKMLKEGAT HSEHRALMSE LKILIHIGHH LNVVNLLGAC TKPGGPLMVI DATA SEQUENCE TEFCKFGNLS TYLRSKRNEF VPYKXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXVAPEDL YKDFLTLEHL ICYSFQVAKG DATA SEQUENCE MEFLASRKCI HRDLAARNIL LSEKNVVKIC DFGLAXXXXX XXXXXXXXDA DATA SEQUENCE RLPLKWMAPE TIFDRVYTIQ SDVWSFGVLL WEIFSLGASP YPGVKIDEEF DATA SEQUENCE CRRLKEGTRM RAPDYTTPEM YQTMLDCWHG EPSQRPTFSE LVEHLGNLLQ DATA SEQUENCE ANAQQ 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 816 H HA 0.000 nan 4.556 nan 0.000 0.296 816 H C 0.000 175.295 175.328 -0.055 0.000 0.993 816 H CA 0.000 56.023 56.048 -0.042 0.000 1.023 816 H CB 0.000 29.739 29.762 -0.038 0.000 1.292 817 A N 0.980 123.735 122.820 -0.109 0.000 1.873 817 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 817 A C 1.773 179.319 177.584 -0.064 0.000 1.186 817 A CA 1.890 53.841 52.037 -0.142 0.000 0.616 817 A CB -0.741 18.253 19.000 -0.010 0.000 0.823 817 A HN 0.690 nan 8.150 nan 0.000 0.442 818 E N -0.576 119.623 120.200 -0.001 0.000 2.171 818 E HA -0.240 4.110 4.350 -0.000 0.000 0.197 818 E C 1.935 178.534 176.600 -0.001 0.000 0.997 818 E CA 1.165 57.569 56.400 0.007 0.000 0.810 818 E CB -0.222 29.495 29.700 0.029 0.000 0.738 818 E HN 0.576 nan 8.360 nan 0.000 0.467 819 R N 0.904 121.393 120.500 -0.017 0.000 2.325 819 R HA 0.070 4.410 4.340 -0.000 0.000 0.214 819 R C -0.034 176.245 176.300 -0.036 0.000 0.961 819 R CA -0.119 55.969 56.100 -0.020 0.000 1.086 819 R CB -0.051 30.234 30.300 -0.024 0.000 1.037 819 R HN 0.043 nan 8.270 nan 0.000 0.493 820 L N 2.639 123.834 121.223 -0.046 0.000 2.334 820 L HA 0.381 4.721 4.340 -0.000 0.000 0.277 820 L C -1.889 174.995 176.870 0.024 0.000 1.075 820 L CA -2.319 52.497 54.840 -0.041 0.000 0.804 820 L CB 1.382 43.391 42.059 -0.083 0.000 1.174 820 L HN 0.029 nan 8.230 nan 0.000 0.438 821 P HA -0.052 nan 4.420 nan 0.000 0.271 821 P C -1.390 176.003 177.300 0.155 0.000 1.233 821 P CA 0.001 63.154 63.100 0.088 0.000 0.764 821 P CB 0.373 32.115 31.700 0.070 0.000 0.825 822 Y N 4.010 124.335 120.300 0.042 0.000 2.593 822 Y HA 0.192 4.742 4.550 -0.000 0.000 0.331 822 Y C 0.249 176.221 175.900 0.121 0.000 0.986 822 Y CA -1.298 56.839 58.100 0.062 0.000 1.262 822 Y CB 0.225 38.710 38.460 0.041 0.000 1.098 822 Y HN 0.302 nan 8.280 nan 0.000 0.506 823 D N 5.296 125.585 120.400 -0.184 0.000 2.600 823 D HA 0.070 4.710 4.640 -0.000 0.000 0.226 823 D C 1.179 177.236 176.300 -0.404 0.000 1.119 823 D CA 0.575 54.466 54.000 -0.183 0.000 1.051 823 D CB 0.442 41.267 40.800 0.042 0.000 1.106 823 D HN 0.810 nan 8.370 nan 0.000 0.491 824 A N 2.380 124.744 122.820 -0.760 0.000 2.084 824 A HA -0.242 4.078 4.320 -0.000 0.000 0.221 824 A C 2.241 179.722 177.584 -0.172 0.000 1.161 824 A CA 1.904 53.596 52.037 -0.575 0.000 0.653 824 A CB -0.423 18.424 19.000 -0.255 0.000 0.802 824 A HN 0.581 nan 8.150 nan 0.000 0.457 825 S N -0.795 114.818 115.700 -0.145 0.000 2.447 825 S HA -0.100 4.370 4.470 -0.000 0.000 0.233 825 S C 1.656 176.178 174.600 -0.130 0.000 1.006 825 S CA 1.436 59.578 58.200 -0.096 0.000 0.957 825 S CB -0.117 63.035 63.200 -0.081 0.000 0.773 825 S HN 0.701 nan 8.310 nan 0.000 0.507 826 K N -0.919 119.360 120.400 -0.202 0.000 2.367 826 K HA 0.196 4.516 4.320 -0.000 0.000 0.195 826 K C 0.593 176.835 176.600 -0.597 0.000 1.060 826 K CA 0.069 56.105 56.287 -0.420 0.000 1.022 826 K CB 0.203 32.367 32.500 -0.560 0.000 0.894 826 K HN 0.522 nan 8.250 nan 0.000 0.540 827 W N 1.169 122.473 121.300 0.006 0.000 2.865 827 W HA 0.271 4.931 4.660 -0.000 0.000 0.300 827 W C 0.007 176.645 176.519 0.199 0.000 1.096 827 W CA -0.595 56.819 57.345 0.116 0.000 1.524 827 W CB 0.493 30.084 29.460 0.217 0.000 0.991 827 W HN -0.067 nan 8.180 nan 0.000 0.571 828 E N 1.401 121.803 120.200 0.336 0.000 2.414 828 E HA 0.144 4.494 4.350 -0.000 0.000 0.263 828 E C -1.162 175.629 176.600 0.319 0.000 1.000 828 E CA 0.143 56.741 56.400 0.329 0.000 0.914 828 E CB 0.165 29.993 29.700 0.213 0.000 0.948 828 E HN -0.046 nan 8.360 nan 0.000 0.444 829 F N 4.918 124.947 119.950 0.132 0.000 2.565 829 F HA 0.482 5.009 4.527 -0.000 0.000 0.313 829 F C -2.309 173.538 175.800 0.079 0.000 1.091 829 F CA -2.685 55.369 58.000 0.090 0.000 0.915 829 F CB 1.889 40.946 39.000 0.095 0.000 1.208 829 F HN 0.383 nan 8.300 nan 0.000 0.453 830 P HA 0.212 nan 4.420 nan 0.000 0.265 830 P C 0.230 177.418 177.300 -0.187 0.000 1.222 830 P CA 0.187 63.086 63.100 -0.335 0.000 0.767 830 P CB 0.541 31.980 31.700 -0.435 0.000 0.801 831 R N 2.785 123.275 120.500 -0.018 0.000 2.159 831 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 831 R C 1.404 177.720 176.300 0.027 0.000 1.131 831 R CA 1.530 57.660 56.100 0.051 0.000 0.982 831 R CB -0.327 30.002 30.300 0.048 0.000 0.868 831 R HN 0.634 nan 8.270 nan 0.000 0.453 832 D N 0.233 120.618 120.400 -0.024 0.000 2.363 832 D HA -0.127 4.513 4.640 -0.000 0.000 0.226 832 D C 0.800 177.092 176.300 -0.013 0.000 1.020 832 D CA 0.491 54.479 54.000 -0.020 0.000 0.892 832 D CB 0.041 40.820 40.800 -0.036 0.000 0.900 832 D HN 0.157 nan 8.370 nan 0.000 0.531 833 R N 0.127 120.621 120.500 -0.011 0.000 2.633 833 R HA 0.375 4.715 4.340 -0.000 0.000 0.348 833 R C -0.318 176.145 176.300 0.273 0.000 1.100 833 R CA -0.183 55.972 56.100 0.092 0.000 1.068 833 R CB 0.775 31.041 30.300 -0.056 0.000 1.351 833 R HN 0.125 nan 8.270 nan 0.000 0.575 834 L N 1.028 122.365 121.223 0.190 0.000 2.404 834 L HA 0.386 4.726 4.340 -0.000 0.000 0.272 834 L C -0.512 176.414 176.870 0.093 0.000 0.980 834 L CA -0.633 54.316 54.840 0.183 0.000 0.836 834 L CB 2.357 44.533 42.059 0.195 0.000 1.238 834 L HN -0.115 nan 8.230 nan 0.000 0.408 835 K N 5.286 125.726 120.400 0.067 0.000 2.300 835 K HA 0.450 4.770 4.320 -0.000 0.000 0.264 835 K C -0.478 176.132 176.600 0.016 0.000 1.083 835 K CA -0.576 55.728 56.287 0.029 0.000 0.958 835 K CB 0.539 33.047 32.500 0.014 0.000 1.318 835 K HN 0.549 nan 8.250 nan 0.000 0.448 836 L N 3.113 124.347 121.223 0.018 0.000 2.525 836 L HA 0.094 4.434 4.340 -0.000 0.000 0.278 836 L C 1.038 177.906 176.870 -0.004 0.000 1.218 836 L CA 0.083 54.929 54.840 0.010 0.000 0.878 836 L CB 0.307 42.376 42.059 0.017 0.000 1.127 836 L HN 0.794 nan 8.230 nan 0.000 0.492 837 G N 2.580 111.372 108.800 -0.013 0.000 3.175 837 G HA2 0.263 4.223 3.960 -0.000 0.000 0.153 837 G HA3 0.263 4.223 3.960 -0.000 0.000 0.153 837 G C -0.799 174.098 174.900 -0.005 0.000 1.216 837 G CA -0.610 44.477 45.100 -0.020 0.000 0.943 837 G HN 0.540 nan 8.290 nan 0.000 0.611 838 K N 1.044 121.442 120.400 -0.004 0.000 2.382 838 K HA 0.261 4.581 4.320 -0.000 0.000 0.275 838 K C -2.291 174.332 176.600 0.038 0.000 1.009 838 K CA -0.941 55.355 56.287 0.015 0.000 0.970 838 K CB 0.686 33.197 32.500 0.018 0.000 0.934 838 K HN -0.008 nan 8.250 nan 0.000 0.479 839 P HA -0.032 nan 4.420 nan 0.000 0.268 839 P C -0.282 177.072 177.300 0.091 0.000 1.205 839 P CA 0.254 63.387 63.100 0.056 0.000 0.771 839 P CB 0.530 32.249 31.700 0.032 0.000 0.858 840 L N 1.409 122.715 121.223 0.139 0.000 2.638 840 L HA 0.442 4.782 4.340 -0.000 0.000 0.232 840 L C 0.943 177.928 176.870 0.191 0.000 1.099 840 L CA 0.175 55.134 54.840 0.197 0.000 0.883 840 L CB 0.200 42.439 42.059 0.300 0.000 1.136 840 L HN 0.562 nan 8.230 nan 0.000 0.492 841 G N 0.075 108.973 108.800 0.163 0.000 2.429 841 G HA2 0.284 4.244 3.960 -0.000 0.000 0.300 841 G HA3 0.284 4.244 3.960 -0.000 0.000 0.300 841 G C -1.877 173.088 174.900 0.108 0.000 1.598 841 G CA -0.701 44.479 45.100 0.133 0.000 0.863 841 G HN -0.113 nan 8.290 nan 0.000 0.614 842 R N -0.108 120.417 120.500 0.041 0.000 2.797 842 R HA 0.882 5.222 4.340 -0.000 0.000 0.251 842 R C 0.123 176.392 176.300 -0.052 0.000 1.107 842 R CA 0.050 56.121 56.100 -0.048 0.000 1.084 842 R CB 2.015 32.282 30.300 -0.055 0.000 1.205 842 R HN 1.437 nan 8.270 nan 0.000 0.515 843 G N -1.079 107.571 108.800 -0.250 0.000 2.519 843 G HA2 0.385 4.345 3.960 -0.000 0.000 0.292 843 G HA3 0.385 4.345 3.960 -0.000 0.000 0.292 843 G C -0.342 174.365 174.900 -0.321 0.000 1.507 843 G CA -0.096 44.890 45.100 -0.190 0.000 0.806 843 G HN 0.675 nan 8.290 nan 0.000 0.523 844 A N 0.182 122.967 122.820 -0.058 0.000 1.908 844 A HA 0.118 4.438 4.320 -0.000 0.000 0.218 844 A C 2.150 179.687 177.584 -0.079 0.000 1.181 844 A CA 2.559 54.571 52.037 -0.041 0.000 0.627 844 A CB -0.917 18.115 19.000 0.052 0.000 0.818 844 A HN 1.561 nan 8.150 nan 0.000 0.445 845 F N -1.139 118.814 119.950 0.003 0.000 2.161 845 F HA 0.263 4.790 4.527 -0.000 0.000 0.300 845 F C 1.348 177.143 175.800 -0.009 0.000 1.089 845 F CA 1.059 59.055 58.000 -0.007 0.000 1.282 845 F CB -0.678 38.312 39.000 -0.017 0.000 1.010 845 F HN 0.463 nan 8.300 nan 0.000 0.485 846 G N -0.720 107.368 108.800 -1.186 0.000 2.294 846 G HA2 0.282 4.242 3.960 -0.000 0.000 0.061 846 G HA3 0.282 4.242 3.960 -0.000 0.000 0.061 846 G C -1.203 173.178 174.900 -0.865 0.000 0.835 846 G CA -0.161 44.494 45.100 -0.741 0.000 1.182 846 G HN 0.432 nan 8.290 nan 0.000 0.449 847 Q N -1.468 118.023 119.800 -0.515 0.000 2.630 847 Q HA 0.607 4.947 4.340 -0.000 0.000 0.295 847 Q C -1.820 174.258 176.000 0.130 0.000 0.944 847 Q CA -0.755 54.939 55.803 -0.182 0.000 0.766 847 Q CB 3.271 31.953 28.738 -0.093 0.000 1.471 847 Q HN 0.500 nan 8.270 nan 0.000 0.416 848 V N 2.491 122.503 119.914 0.163 0.000 2.409 848 V HA 0.490 4.610 4.120 -0.000 0.000 0.290 848 V C -0.809 175.372 176.094 0.145 0.000 1.017 848 V CA -0.595 61.820 62.300 0.192 0.000 0.841 848 V CB 1.293 33.282 31.823 0.277 0.000 1.003 848 V HN 0.504 nan 8.190 nan 0.000 0.426 849 I N 2.684 123.318 120.570 0.106 0.000 2.693 849 I HA 0.544 4.714 4.170 -0.000 0.000 0.303 849 I C 0.239 176.405 176.117 0.082 0.000 1.025 849 I CA -0.766 60.585 61.300 0.084 0.000 1.086 849 I CB 2.107 40.136 38.000 0.048 0.000 1.268 849 I HN 0.648 nan 8.210 nan 0.000 0.440 850 E N 2.111 122.345 120.200 0.057 0.000 2.318 850 E HA 0.694 5.044 4.350 -0.000 0.000 0.265 850 E C -0.965 175.594 176.600 -0.068 0.000 1.069 850 E CA -0.351 56.035 56.400 -0.024 0.000 0.893 850 E CB 1.764 31.405 29.700 -0.097 0.000 1.076 850 E HN 0.812 nan 8.360 nan 0.000 0.414 851 A N 3.070 125.815 122.820 -0.124 0.000 2.493 851 A HA 0.393 4.713 4.320 -0.000 0.000 0.300 851 A C -1.789 175.744 177.584 -0.086 0.000 1.152 851 A CA -0.812 51.182 52.037 -0.072 0.000 0.643 851 A CB 1.456 20.450 19.000 -0.011 0.000 1.316 851 A HN 0.629 nan 8.150 nan 0.000 0.469 852 D N 0.570 120.958 120.400 -0.021 0.000 2.502 852 D HA 0.576 5.216 4.640 -0.000 0.000 0.249 852 D C -0.656 175.696 176.300 0.087 0.000 1.092 852 D CA 0.132 54.137 54.000 0.009 0.000 0.839 852 D CB 1.986 42.797 40.800 0.019 0.000 1.264 852 D HN 0.831 nan 8.370 nan 0.000 0.511 853 A N 2.597 125.469 122.820 0.087 0.000 2.273 853 A HA 0.366 4.686 4.320 -0.000 0.000 0.315 853 A C -0.789 176.953 177.584 0.263 0.000 1.256 853 A CA -0.651 51.489 52.037 0.173 0.000 0.851 853 A CB 0.283 19.239 19.000 -0.074 0.000 1.172 853 A HN 0.456 nan 8.150 nan 0.000 0.508 854 F N 3.568 123.660 119.950 0.237 0.000 2.468 854 F HA 0.455 4.982 4.527 -0.000 0.000 0.356 854 F C 1.277 177.213 175.800 0.227 0.000 1.167 854 F CA 0.404 58.502 58.000 0.164 0.000 1.135 854 F CB 0.146 39.202 39.000 0.094 0.000 1.197 854 F HN 1.098 nan 8.300 nan 0.000 0.569 855 G N 6.248 114.860 108.800 -0.313 0.000 2.314 855 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.292 855 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.292 855 G C 0.920 175.854 174.900 0.056 0.000 1.059 855 G CA 0.501 45.447 45.100 -0.257 0.000 0.982 855 G HN 0.826 nan 8.290 nan 0.000 0.505 856 I N -0.503 120.089 120.570 0.036 0.000 2.500 856 I HA 0.136 4.306 4.170 -0.000 0.000 0.252 856 I C 1.469 177.539 176.117 -0.078 0.000 1.142 856 I CA 1.515 62.755 61.300 -0.099 0.000 1.451 856 I CB 0.125 37.801 38.000 -0.541 0.000 1.093 856 I HN 0.574 nan 8.210 nan 0.000 0.430 857 D N -1.581 118.770 120.400 -0.081 0.000 2.666 857 D HA 0.233 4.873 4.640 -0.000 0.000 0.252 857 D C 0.587 176.843 176.300 -0.074 0.000 1.143 857 D CA -0.533 53.422 54.000 -0.075 0.000 1.096 857 D CB 0.713 41.470 40.800 -0.071 0.000 1.260 857 D HN -0.174 nan 8.370 nan 0.000 0.633 858 K N -1.808 118.549 120.400 -0.071 0.000 2.329 858 K HA 0.078 4.398 4.320 -0.000 0.000 0.198 858 K C 0.841 177.403 176.600 -0.063 0.000 1.085 858 K CA 0.312 56.556 56.287 -0.071 0.000 0.961 858 K CB 0.299 32.760 32.500 -0.065 0.000 0.971 858 K HN 0.408 nan 8.250 nan 0.000 0.502 859 T N 1.462 115.983 114.554 -0.055 0.000 4.320 859 T HA 0.437 4.787 4.350 -0.000 0.000 0.221 859 T C -0.806 173.870 174.700 -0.040 0.000 0.896 859 T CA 0.048 62.122 62.100 -0.043 0.000 0.928 859 T CB -0.792 68.054 68.868 -0.037 0.000 1.369 859 T HN 0.313 nan 8.240 nan 0.000 0.836 860 A N 0.984 123.774 122.820 -0.050 0.000 2.567 860 A HA 0.443 4.763 4.320 -0.000 0.000 0.301 860 A C 0.636 178.173 177.584 -0.080 0.000 0.940 860 A CA -0.339 51.670 52.037 -0.046 0.000 0.637 860 A CB -0.320 18.659 19.000 -0.036 0.000 1.332 860 A HN 0.283 nan 8.150 nan 0.000 0.427 861 T N -0.592 113.922 114.554 -0.067 0.000 3.045 861 T HA 0.250 4.600 4.350 -0.000 0.000 0.239 861 T C 0.599 175.226 174.700 -0.121 0.000 1.008 861 T CA 1.287 63.309 62.100 -0.130 0.000 1.143 861 T CB -0.010 68.850 68.868 -0.013 0.000 0.894 861 T HN 1.399 nan 8.240 nan 0.000 0.451 862 C N 2.950 122.266 119.300 0.026 0.000 2.364 862 C HA 0.780 5.240 4.460 -0.000 0.000 0.324 862 C C -0.441 174.572 174.990 0.038 0.000 1.234 862 C CA -1.045 58.035 59.018 0.103 0.000 1.417 862 C CB 0.003 27.850 27.740 0.179 0.000 2.101 862 C HN 0.467 nan 8.230 nan 0.000 0.466 863 R N 3.865 124.379 120.500 0.022 0.000 2.670 863 R HA 0.587 4.927 4.340 -0.000 0.000 0.289 863 R C -0.609 175.672 176.300 -0.032 0.000 0.965 863 R CA -0.190 55.904 56.100 -0.010 0.000 0.899 863 R CB 1.601 31.884 30.300 -0.029 0.000 1.173 863 R HN 0.744 nan 8.270 nan 0.000 0.456 864 T N 3.772 118.291 114.554 -0.060 0.000 2.794 864 T HA 0.335 4.685 4.350 -0.000 0.000 0.296 864 T C -0.112 174.528 174.700 -0.099 0.000 0.949 864 T CA -0.409 61.599 62.100 -0.154 0.000 1.101 864 T CB 0.809 69.514 68.868 -0.272 0.000 0.905 864 T HN 0.443 nan 8.240 nan 0.000 0.516 865 V N 0.062 119.908 119.914 -0.114 0.000 3.102 865 V HA 1.016 5.136 4.120 -0.000 0.000 0.312 865 V C -0.575 175.540 176.094 0.035 0.000 1.135 865 V CA -1.628 60.668 62.300 -0.007 0.000 1.022 865 V CB 1.728 33.526 31.823 -0.043 0.000 1.056 865 V HN 0.967 nan 8.190 nan 0.000 0.436 866 A N 1.561 124.458 122.820 0.129 0.000 2.317 866 A HA 0.893 5.213 4.320 -0.000 0.000 0.327 866 A C -0.736 176.879 177.584 0.052 0.000 1.178 866 A CA -0.681 51.446 52.037 0.150 0.000 0.817 866 A CB 1.499 20.609 19.000 0.183 0.000 1.189 866 A HN 1.420 nan 8.150 nan 0.000 0.489 867 V N 2.722 122.666 119.914 0.051 0.000 2.531 867 V HA 0.409 4.529 4.120 -0.000 0.000 0.301 867 V C -0.081 176.043 176.094 0.051 0.000 1.034 867 V CA -0.699 61.622 62.300 0.034 0.000 0.865 867 V CB 1.796 33.642 31.823 0.038 0.000 0.995 867 V HN 0.933 nan 8.190 nan 0.000 0.424 868 K N 6.461 126.883 120.400 0.036 0.000 2.185 868 K HA 0.851 5.171 4.320 -0.000 0.000 0.269 868 K C -0.773 175.885 176.600 0.097 0.000 0.987 868 K CA -0.548 55.795 56.287 0.094 0.000 0.865 868 K CB 1.269 33.785 32.500 0.026 0.000 1.090 868 K HN 0.841 nan 8.250 nan 0.000 0.450 869 M N 2.910 122.605 119.600 0.157 0.000 2.520 869 M HA 0.395 4.875 4.480 -0.000 0.000 0.283 869 M C -1.412 174.952 176.300 0.106 0.000 1.237 869 M CA -1.069 54.286 55.300 0.092 0.000 0.885 869 M CB 1.450 34.075 32.600 0.041 0.000 1.727 869 M HN 0.303 nan 8.290 nan 0.000 0.468 870 L N 1.375 122.632 121.223 0.056 0.000 2.468 870 L HA 0.480 4.820 4.340 -0.000 0.000 0.254 870 L C 0.282 177.144 176.870 -0.013 0.000 1.171 870 L CA -0.785 54.080 54.840 0.042 0.000 0.809 870 L CB 0.508 42.573 42.059 0.010 0.000 1.155 870 L HN 0.708 nan 8.230 nan 0.000 0.473 871 K N 0.605 120.988 120.400 -0.028 0.000 2.270 871 K HA 0.027 4.347 4.320 -0.000 0.000 0.276 871 K C 0.707 177.307 176.600 0.001 0.000 1.023 871 K CA -0.153 56.114 56.287 -0.032 0.000 0.955 871 K CB 1.096 33.570 32.500 -0.044 0.000 0.975 871 K HN 0.495 nan 8.250 nan 0.000 0.471 872 E N 1.649 121.850 120.200 0.002 0.000 2.273 872 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 872 E C 0.646 177.259 176.600 0.022 0.000 1.002 872 E CA 1.069 57.478 56.400 0.015 0.000 0.828 872 E CB 0.068 29.774 29.700 0.010 0.000 0.747 872 E HN 0.785 nan 8.360 nan 0.000 0.491 873 G N -0.160 108.649 108.800 0.016 0.000 4.644 873 G HA2 0.520 4.480 3.960 -0.000 0.000 0.307 873 G HA3 0.520 4.480 3.960 -0.000 0.000 0.307 873 G C -0.414 174.504 174.900 0.029 0.000 1.331 873 G CA 0.091 45.204 45.100 0.022 0.000 1.059 873 G HN 0.275 nan 8.290 nan 0.000 0.590 874 A N 0.957 123.803 122.820 0.042 0.000 2.340 874 A HA 0.688 5.008 4.320 -0.000 0.000 0.268 874 A C 1.068 178.695 177.584 0.072 0.000 1.100 874 A CA 0.067 52.138 52.037 0.056 0.000 0.803 874 A CB 0.237 19.276 19.000 0.064 0.000 1.043 874 A HN 0.745 nan 8.150 nan 0.000 0.488 875 T N -0.766 113.834 114.554 0.077 0.000 2.855 875 T HA 0.004 4.354 4.350 -0.000 0.000 0.314 875 T C 0.957 175.725 174.700 0.113 0.000 1.077 875 T CA 0.400 62.556 62.100 0.093 0.000 1.095 875 T CB 0.174 69.095 68.868 0.089 0.000 0.987 875 T HN 0.651 nan 8.240 nan 0.000 0.546 876 H N 0.413 119.512 119.070 0.049 0.000 2.546 876 H HA 0.012 4.568 4.556 -0.000 0.000 0.277 876 H C 2.217 177.581 175.328 0.059 0.000 1.004 876 H CA 1.368 57.436 56.048 0.034 0.000 1.231 876 H CB 0.034 29.794 29.762 -0.003 0.000 1.382 876 H HN 0.775 nan 8.280 nan 0.000 0.580 877 S N 0.044 115.849 115.700 0.175 0.000 2.356 877 S HA -0.066 4.404 4.470 -0.000 0.000 0.219 877 S C 1.861 176.518 174.600 0.095 0.000 1.036 877 S CA 0.665 58.938 58.200 0.122 0.000 0.965 877 S CB 0.157 63.407 63.200 0.084 0.000 0.864 877 S HN 0.507 nan 8.310 nan 0.000 0.471 878 E N 0.237 120.491 120.200 0.089 0.000 2.085 878 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 878 E C 2.035 178.661 176.600 0.044 0.000 0.994 878 E CA 1.205 57.642 56.400 0.063 0.000 0.801 878 E CB -0.391 29.362 29.700 0.088 0.000 0.743 878 E HN 0.574 nan 8.360 nan 0.000 0.453 879 H N 1.050 120.106 119.070 -0.022 0.000 2.431 879 H HA -0.119 4.437 4.556 -0.000 0.000 0.297 879 H C 1.953 177.245 175.328 -0.060 0.000 1.115 879 H CA 1.586 57.597 56.048 -0.062 0.000 1.277 879 H CB 0.255 29.933 29.762 -0.140 0.000 1.372 879 H HN 0.093 nan 8.280 nan 0.000 0.516 880 R N -0.480 120.080 120.500 0.099 0.000 2.100 880 R HA 0.072 4.412 4.340 -0.000 0.000 0.220 880 R C 2.665 178.955 176.300 -0.015 0.000 1.091 880 R CA 0.690 56.821 56.100 0.052 0.000 0.986 880 R CB -0.080 30.262 30.300 0.070 0.000 0.888 880 R HN 0.185 nan 8.270 nan 0.000 0.444 881 A N 1.601 124.406 122.820 -0.025 0.000 1.892 881 A HA -0.199 4.120 4.320 -0.000 0.000 0.218 881 A C 2.044 179.557 177.584 -0.119 0.000 1.188 881 A CA 1.340 53.336 52.037 -0.069 0.000 0.631 881 A CB -0.558 18.401 19.000 -0.069 0.000 0.822 881 A HN 0.216 nan 8.150 nan 0.000 0.447 882 L N -1.286 119.855 121.223 -0.136 0.000 2.141 882 L HA -0.054 4.286 4.340 -0.000 0.000 0.209 882 L C 2.232 178.988 176.870 -0.190 0.000 1.094 882 L CA 1.674 56.404 54.840 -0.183 0.000 0.763 882 L CB -0.484 41.459 42.059 -0.194 0.000 0.908 882 L HN 0.296 nan 8.230 nan 0.000 0.437 883 M N -1.689 117.813 119.600 -0.162 0.000 2.349 883 M HA -0.046 4.434 4.480 -0.000 0.000 0.266 883 M C 2.257 178.470 176.300 -0.145 0.000 1.076 883 M CA 0.931 56.130 55.300 -0.170 0.000 1.126 883 M CB -0.856 31.684 32.600 -0.100 0.000 1.392 883 M HN 0.228 nan 8.290 nan 0.000 0.440 884 S N 0.162 115.794 115.700 -0.113 0.000 2.371 884 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 884 S C 1.791 176.313 174.600 -0.129 0.000 1.029 884 S CA 1.133 59.272 58.200 -0.101 0.000 0.978 884 S CB -0.160 62.996 63.200 -0.073 0.000 0.833 884 S HN 0.523 nan 8.310 nan 0.000 0.466 885 E N 0.885 120.992 120.200 -0.153 0.000 2.085 885 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 885 E C 2.106 178.598 176.600 -0.181 0.000 0.994 885 E CA 1.117 57.412 56.400 -0.173 0.000 0.801 885 E CB -0.172 29.405 29.700 -0.204 0.000 0.743 885 E HN 0.338 nan 8.360 nan 0.000 0.453 886 L N 1.371 122.473 121.223 -0.202 0.000 2.046 886 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 886 L C 1.955 178.694 176.870 -0.218 0.000 1.077 886 L CA 1.920 56.617 54.840 -0.238 0.000 0.747 886 L CB -0.366 41.515 42.059 -0.296 0.000 0.896 886 L HN -0.027 nan 8.230 nan 0.000 0.432 887 K N -0.340 119.966 120.400 -0.157 0.000 2.025 887 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 887 K C 2.123 178.678 176.600 -0.074 0.000 1.049 887 K CA 1.902 58.135 56.287 -0.090 0.000 0.933 887 K CB -0.311 32.153 32.500 -0.059 0.000 0.714 887 K HN 0.361 nan 8.250 nan 0.000 0.438 888 I N 1.282 121.799 120.570 -0.088 0.000 2.179 888 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 888 I C 2.271 178.364 176.117 -0.040 0.000 1.088 888 I CA 1.257 62.529 61.300 -0.047 0.000 1.357 888 I CB -0.320 37.633 38.000 -0.080 0.000 1.051 888 I HN 0.153 nan 8.210 nan 0.000 0.409 889 L N 0.389 121.545 121.223 -0.112 0.000 2.079 889 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 889 L C 2.503 179.277 176.870 -0.159 0.000 1.081 889 L CA 1.504 56.266 54.840 -0.131 0.000 0.752 889 L CB -0.340 41.608 42.059 -0.184 0.000 0.896 889 L HN 0.261 nan 8.230 nan 0.000 0.433 890 I N -1.227 119.207 120.570 -0.228 0.000 2.233 890 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 890 I C 2.586 178.674 176.117 -0.049 0.000 1.093 890 I CA 1.205 62.351 61.300 -0.255 0.000 1.380 890 I CB -0.419 37.392 38.000 -0.316 0.000 1.067 890 I HN 0.281 nan 8.210 nan 0.000 0.413 891 H N 1.557 120.580 119.070 -0.078 0.000 2.319 891 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 891 H C 2.118 177.426 175.328 -0.033 0.000 1.092 891 H CA 2.040 58.062 56.048 -0.045 0.000 1.302 891 H CB -0.230 29.489 29.762 -0.072 0.000 1.373 891 H HN 0.224 nan 8.280 nan 0.000 0.497 892 I N -0.145 120.330 120.570 -0.159 0.000 2.163 892 I HA -0.136 4.034 4.170 -0.000 0.000 0.243 892 I C 1.646 177.742 176.117 -0.036 0.000 1.085 892 I CA 1.048 62.249 61.300 -0.165 0.000 1.347 892 I CB -0.772 37.227 38.000 -0.002 0.000 1.044 892 I HN 0.664 nan 8.210 nan 0.000 0.408 893 G N -0.416 108.420 108.800 0.060 0.000 2.698 893 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.225 893 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.225 893 G C -0.503 174.567 174.900 0.283 0.000 1.345 893 G CA -0.156 45.054 45.100 0.183 0.000 0.871 893 G HN 0.552 nan 8.290 nan 0.000 0.540 894 H N 0.624 119.798 119.070 0.174 0.000 2.582 894 H HA 0.717 5.273 4.556 -0.000 0.000 0.345 894 H C 0.123 175.396 175.328 -0.092 0.000 1.104 894 H CA 0.452 56.542 56.048 0.071 0.000 1.390 894 H CB 0.798 30.581 29.762 0.036 0.000 1.461 894 H HN 0.845 nan 8.280 nan 0.000 0.551 895 H N 4.473 122.897 119.070 -1.077 0.000 3.046 895 H HA 0.049 4.605 4.556 -0.000 0.000 0.361 895 H C -0.180 174.590 175.328 -0.930 0.000 1.235 895 H CA -0.698 54.676 56.048 -1.123 0.000 1.146 895 H CB 1.447 30.354 29.762 -1.424 0.000 1.859 895 H HN 0.680 nan 8.280 nan 0.000 0.548 896 L N 3.316 124.079 121.223 -0.767 0.000 2.131 896 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 896 L C 0.325 177.156 176.870 -0.063 0.000 1.092 896 L CA 1.854 56.502 54.840 -0.320 0.000 0.759 896 L CB -0.318 41.565 42.059 -0.294 0.000 0.903 896 L HN 0.558 nan 8.230 nan 0.000 0.435 897 N N -1.550 117.263 118.700 0.188 0.000 2.320 897 N HA 0.218 4.958 4.740 -0.000 0.000 0.237 897 N C -1.236 174.235 175.510 -0.065 0.000 1.129 897 N CA -0.090 52.968 53.050 0.014 0.000 0.854 897 N CB 0.826 39.299 38.487 -0.024 0.000 1.083 897 N HN 0.008 nan 8.380 nan 0.000 0.504 898 V N 0.723 120.594 119.914 -0.072 0.000 2.483 898 V HA 0.226 4.346 4.120 -0.000 0.000 0.297 898 V C 0.229 176.288 176.094 -0.058 0.000 1.027 898 V CA -1.142 61.116 62.300 -0.070 0.000 0.855 898 V CB 2.062 33.854 31.823 -0.052 0.000 0.995 898 V HN -0.107 nan 8.190 nan 0.000 0.424 899 V N 5.925 125.809 119.914 -0.049 0.000 2.625 899 V HA -0.059 4.061 4.120 -0.000 0.000 0.305 899 V C 0.849 176.933 176.094 -0.016 0.000 1.055 899 V CA 0.587 62.860 62.300 -0.046 0.000 1.209 899 V CB -0.028 31.746 31.823 -0.081 0.000 0.877 899 V HN 0.998 nan 8.190 nan 0.000 0.489 900 N N 5.606 124.322 118.700 0.027 0.000 2.468 900 N HA 0.187 4.927 4.740 -0.000 0.000 0.265 900 N C -0.448 175.100 175.510 0.065 0.000 1.199 900 N CA -0.615 52.491 53.050 0.094 0.000 0.928 900 N CB 0.800 39.374 38.487 0.146 0.000 1.059 900 N HN 0.573 nan 8.380 nan 0.000 0.467 901 L N 4.045 125.312 121.223 0.072 0.000 2.319 901 L HA 0.163 4.503 4.340 -0.000 0.000 0.280 901 L C 0.291 177.276 176.870 0.192 0.000 1.099 901 L CA 0.321 55.182 54.840 0.034 0.000 0.828 901 L CB 0.619 42.600 42.059 -0.130 0.000 1.150 901 L HN 0.625 nan 8.230 nan 0.000 0.442 902 L N 4.494 125.808 121.223 0.152 0.000 2.500 902 L HA 0.541 4.881 4.340 -0.000 0.000 0.219 902 L C 0.978 178.000 176.870 0.253 0.000 1.057 902 L CA 0.435 55.376 54.840 0.169 0.000 0.854 902 L CB 0.053 42.111 42.059 -0.003 0.000 1.078 902 L HN 0.838 nan 8.230 nan 0.000 0.480 903 G N -0.756 108.179 108.800 0.225 0.000 2.340 903 G HA2 0.638 4.598 3.960 -0.000 0.000 0.299 903 G HA3 0.638 4.598 3.960 -0.000 0.000 0.299 903 G C -2.154 172.867 174.900 0.202 0.000 1.291 903 G CA 0.151 45.437 45.100 0.309 0.000 0.841 903 G HN 0.134 nan 8.290 nan 0.000 0.500 904 A N -2.029 120.950 122.820 0.266 0.000 2.581 904 A HA 0.702 5.022 4.320 -0.000 0.000 0.290 904 A C -1.428 176.290 177.584 0.223 0.000 1.119 904 A CA -0.133 52.004 52.037 0.168 0.000 0.670 904 A CB 1.148 20.186 19.000 0.064 0.000 1.280 904 A HN 1.761 nan 8.150 nan 0.000 0.425 905 C N 1.319 120.697 119.300 0.130 0.000 2.653 905 C HA 0.532 4.992 4.460 -0.000 0.000 0.291 905 C C 1.496 176.532 174.990 0.077 0.000 1.064 905 C CA 0.205 59.307 59.018 0.140 0.000 1.469 905 C CB -0.320 27.496 27.740 0.128 0.000 1.861 905 C HN 0.991 nan 8.230 nan 0.000 0.434 906 T N -1.079 113.543 114.554 0.113 0.000 3.033 906 T HA 0.080 4.430 4.350 -0.000 0.000 0.248 906 T C 0.741 175.512 174.700 0.119 0.000 1.040 906 T CA 0.198 62.345 62.100 0.078 0.000 1.133 906 T CB 0.044 68.958 68.868 0.076 0.000 0.895 906 T HN 0.587 nan 8.240 nan 0.000 0.465 907 K N 3.121 123.603 120.400 0.136 0.000 2.580 907 K HA 0.100 4.420 4.320 -0.000 0.000 0.278 907 K C -2.185 174.463 176.600 0.080 0.000 0.960 907 K CA -0.817 55.532 56.287 0.104 0.000 0.988 907 K CB -0.099 32.455 32.500 0.089 0.000 0.887 907 K HN 0.323 nan 8.250 nan 0.000 0.509 908 P HA 0.034 nan 4.420 nan 0.000 0.272 908 P C 0.490 177.815 177.300 0.042 0.000 1.240 908 P CA 0.115 63.245 63.100 0.049 0.000 0.791 908 P CB 1.166 32.886 31.700 0.035 0.000 0.978 909 G N 0.036 108.859 108.800 0.037 0.000 2.882 909 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.198 909 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.198 909 G C 0.280 175.199 174.900 0.033 0.000 1.977 909 G CA -0.019 45.099 45.100 0.030 0.000 1.541 909 G HN 0.880 nan 8.290 nan 0.000 0.567 910 G N 1.103 109.927 108.800 0.040 0.000 2.521 910 G HA2 0.712 4.672 3.960 -0.000 0.000 0.323 910 G HA3 0.712 4.672 3.960 -0.000 0.000 0.323 910 G C -2.473 172.455 174.900 0.047 0.000 1.211 910 G CA -0.720 44.404 45.100 0.039 0.000 0.979 910 G HN 0.461 nan 8.290 nan 0.000 0.490 911 P HA 0.160 nan 4.420 nan 0.000 0.271 911 P C -0.255 177.054 177.300 0.016 0.000 1.244 911 P CA -0.601 62.520 63.100 0.034 0.000 0.793 911 P CB 0.519 32.231 31.700 0.020 0.000 0.984 912 L N 1.936 123.134 121.223 -0.043 0.000 2.410 912 L HA 0.308 4.648 4.340 -0.000 0.000 0.273 912 L C -0.447 176.376 176.870 -0.078 0.000 1.152 912 L CA 0.912 55.680 54.840 -0.119 0.000 0.855 912 L CB -0.678 41.141 42.059 -0.400 0.000 1.129 912 L HN 0.274 nan 8.230 nan 0.000 0.463 913 M N 5.202 124.773 119.600 -0.048 0.000 2.378 913 M HA 0.450 4.930 4.480 -0.000 0.000 0.289 913 M C -1.251 175.034 176.300 -0.025 0.000 1.136 913 M CA -0.748 54.542 55.300 -0.016 0.000 0.917 913 M CB 2.175 34.794 32.600 0.032 0.000 1.669 913 M HN 0.182 nan 8.290 nan 0.000 0.461 914 V N 3.991 123.882 119.914 -0.039 0.000 2.513 914 V HA 0.591 4.711 4.120 -0.000 0.000 0.299 914 V C -0.455 175.622 176.094 -0.028 0.000 1.035 914 V CA -0.550 61.717 62.300 -0.054 0.000 0.889 914 V CB 2.109 33.868 31.823 -0.107 0.000 0.988 914 V HN 0.711 nan 8.190 nan 0.000 0.440 915 I N 4.429 124.989 120.570 -0.017 0.000 2.389 915 I HA 0.540 4.710 4.170 -0.000 0.000 0.288 915 I C 0.288 176.390 176.117 -0.025 0.000 0.999 915 I CA -0.190 61.095 61.300 -0.025 0.000 1.129 915 I CB 2.049 40.014 38.000 -0.058 0.000 1.288 915 I HN 0.771 nan 8.210 nan 0.000 0.444 916 T N 1.354 115.894 114.554 -0.023 0.000 2.927 916 T HA 0.498 4.847 4.350 -0.000 0.000 0.286 916 T C -0.209 174.500 174.700 0.016 0.000 1.040 916 T CA -0.915 61.177 62.100 -0.013 0.000 1.010 916 T CB 1.650 70.491 68.868 -0.045 0.000 1.177 916 T HN 0.650 nan 8.240 nan 0.000 0.546 917 E N 0.406 120.622 120.200 0.026 0.000 2.425 917 E HA 0.293 4.643 4.350 -0.000 0.000 0.258 917 E C -1.098 175.566 176.600 0.108 0.000 1.151 917 E CA -0.815 55.619 56.400 0.057 0.000 0.958 917 E CB 0.283 30.010 29.700 0.044 0.000 0.968 917 E HN 0.495 nan 8.360 nan 0.000 0.451 918 F N 1.266 121.192 119.950 -0.040 0.000 2.404 918 F HA 0.343 4.870 4.527 -0.000 0.000 0.339 918 F C -0.964 174.811 175.800 -0.042 0.000 1.105 918 F CA -1.305 56.670 58.000 -0.042 0.000 1.087 918 F CB 1.109 40.084 39.000 -0.041 0.000 1.143 918 F HN 0.484 nan 8.300 nan 0.000 0.491 919 C N 7.798 126.713 119.300 -0.642 0.000 2.264 919 C HA 0.264 4.724 4.460 -0.000 0.000 0.322 919 C C 1.680 176.223 174.990 -0.745 0.000 1.210 919 C CA -1.023 57.713 59.018 -0.470 0.000 1.539 919 C CB 0.314 27.895 27.740 -0.266 0.000 2.167 919 C HN 1.085 nan 8.230 nan 0.000 0.463 920 K N 2.030 122.096 120.400 -0.557 0.000 2.052 920 K HA -0.207 4.113 4.320 -0.000 0.000 0.215 920 K C 0.766 176.952 176.600 -0.689 0.000 1.053 920 K CA 2.193 58.101 56.287 -0.632 0.000 0.934 920 K CB -0.110 31.918 32.500 -0.787 0.000 0.717 920 K HN 0.747 nan 8.250 nan 0.000 0.450 921 F N 0.673 120.516 119.950 -0.178 0.000 2.773 921 F HA 0.224 4.751 4.527 -0.000 0.000 0.304 921 F C 1.360 177.088 175.800 -0.121 0.000 1.129 921 F CA 0.235 58.156 58.000 -0.132 0.000 1.378 921 F CB -0.034 38.831 39.000 -0.225 0.000 1.095 921 F HN 0.336 nan 8.300 nan 0.000 0.565 922 G N 1.472 110.223 108.800 -0.082 0.000 2.641 922 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.254 922 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.254 922 G C -0.177 174.736 174.900 0.021 0.000 1.315 922 G CA -0.282 44.802 45.100 -0.027 0.000 0.907 922 G HN 0.703 nan 8.290 nan 0.000 0.572 923 N N -0.325 118.404 118.700 0.048 0.000 2.454 923 N HA 0.286 5.026 4.740 -0.000 0.000 0.254 923 N C 1.316 176.835 175.510 0.014 0.000 1.228 923 N CA 0.252 53.321 53.050 0.033 0.000 0.900 923 N CB 0.828 39.285 38.487 -0.051 0.000 1.089 923 N HN 0.910 nan 8.380 nan 0.000 0.449 924 L N 2.053 123.264 121.223 -0.020 0.000 2.131 924 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 924 L C 2.273 179.157 176.870 0.023 0.000 1.092 924 L CA 1.584 56.403 54.840 -0.035 0.000 0.759 924 L CB -1.177 40.811 42.059 -0.119 0.000 0.903 924 L HN 0.888 nan 8.230 nan 0.000 0.435 925 S N -1.690 114.018 115.700 0.013 0.000 2.356 925 S HA -0.201 4.269 4.470 -0.000 0.000 0.223 925 S C 1.907 176.513 174.600 0.009 0.000 1.032 925 S CA 1.904 60.117 58.200 0.022 0.000 1.005 925 S CB -0.349 62.875 63.200 0.040 0.000 0.867 925 S HN 0.649 nan 8.310 nan 0.000 0.449 926 T N 0.607 115.167 114.554 0.011 0.000 2.674 926 T HA -0.115 4.235 4.350 -0.000 0.000 0.265 926 T C 1.475 176.179 174.700 0.007 0.000 1.039 926 T CA 1.679 63.782 62.100 0.004 0.000 1.150 926 T CB -0.699 68.174 68.868 0.008 0.000 0.864 926 T HN 0.587 nan 8.240 nan 0.000 0.427 927 Y N 1.917 122.182 120.300 -0.058 0.000 2.081 927 Y HA -0.175 4.375 4.550 -0.000 0.000 0.280 927 Y C 2.123 177.964 175.900 -0.099 0.000 1.163 927 Y CA 1.284 59.344 58.100 -0.066 0.000 1.135 927 Y CB -0.647 37.766 38.460 -0.079 0.000 0.970 927 Y HN 0.110 nan 8.280 nan 0.000 0.498 928 L N -0.197 120.965 121.223 -0.101 0.000 2.042 928 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 928 L C 2.741 179.440 176.870 -0.285 0.000 1.076 928 L CA 1.795 56.501 54.840 -0.223 0.000 0.749 928 L CB -0.602 41.382 42.059 -0.125 0.000 0.893 928 L HN 0.214 nan 8.230 nan 0.000 0.432 929 R N -0.009 120.378 120.500 -0.188 0.000 2.127 929 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 929 R C 2.392 178.576 176.300 -0.192 0.000 1.134 929 R CA 1.646 57.649 56.100 -0.161 0.000 0.975 929 R CB -0.131 30.117 30.300 -0.087 0.000 0.865 929 R HN 0.432 nan 8.270 nan 0.000 0.447 930 S N -0.291 115.265 115.700 -0.241 0.000 2.607 930 S HA 0.045 4.514 4.470 -0.000 0.000 0.224 930 S C 0.963 175.378 174.600 -0.308 0.000 0.969 930 S CA 0.377 58.434 58.200 -0.239 0.000 0.927 930 S CB 0.312 63.380 63.200 -0.220 0.000 0.772 930 S HN 0.113 nan 8.310 nan 0.000 0.533 931 K N 0.669 120.842 120.400 -0.378 0.000 2.413 931 K HA 0.320 4.640 4.320 -0.000 0.000 0.204 931 K C 1.313 177.734 176.600 -0.297 0.000 1.041 931 K CA -0.339 55.720 56.287 -0.380 0.000 1.082 931 K CB 0.046 32.266 32.500 -0.467 0.000 0.871 931 K HN 0.242 nan 8.250 nan 0.000 0.535 932 R N 1.202 121.551 120.500 -0.252 0.000 2.119 932 R HA -0.125 4.215 4.340 -0.000 0.000 0.246 932 R C 0.670 176.918 176.300 -0.087 0.000 1.146 932 R CA 1.392 57.380 56.100 -0.187 0.000 0.962 932 R CB -0.387 29.846 30.300 -0.111 0.000 0.863 932 R HN 0.364 nan 8.270 nan 0.000 0.442 933 N N 0.539 119.174 118.700 -0.109 0.000 2.295 933 N HA 0.025 4.765 4.740 -0.000 0.000 0.221 933 N C -0.601 174.794 175.510 -0.191 0.000 1.129 933 N CA 0.014 53.022 53.050 -0.070 0.000 0.836 933 N CB 0.490 38.946 38.487 -0.050 0.000 1.040 933 N HN 0.207 nan 8.380 nan 0.000 0.494 934 E N 0.822 120.808 120.200 -0.357 0.000 4.139 934 E HA 0.118 4.468 4.350 -0.000 0.000 0.227 934 E C -1.549 174.619 176.600 -0.721 0.000 1.187 934 E CA -0.275 55.526 56.400 -0.998 0.000 1.324 934 E CB 0.603 29.772 29.700 -0.885 0.000 1.207 934 E HN 0.146 nan 8.360 nan 0.000 0.422 935 F N 1.458 121.218 119.950 -0.317 0.000 2.588 935 F HA 0.482 5.009 4.527 -0.000 0.000 0.314 935 F C -1.586 174.330 175.800 0.193 0.000 1.134 935 F CA -0.966 57.009 58.000 -0.042 0.000 0.961 935 F CB 1.355 40.233 39.000 -0.203 0.000 1.239 935 F HN -0.111 nan 8.300 nan 0.000 0.448 936 V N 4.073 123.606 119.914 -0.635 0.000 2.760 936 V HA 0.600 4.720 4.120 -0.000 0.000 0.309 936 V C -2.632 172.881 176.094 -0.969 0.000 1.077 936 V CA -2.038 59.952 62.300 -0.516 0.000 0.910 936 V CB 1.852 33.473 31.823 -0.336 0.000 1.008 936 V HN 0.566 nan 8.190 nan 0.000 0.424 937 P HA 0.000 nan 4.420 nan 0.000 0.215 937 P C -0.620 176.160 177.300 -0.868 0.000 1.157 937 P CA 1.645 64.346 63.100 -0.665 0.000 0.868 937 P CB -0.043 31.447 31.700 -0.351 0.000 0.788 938 Y N -2.135 118.014 120.300 -0.252 0.000 2.442 938 Y HA 0.368 4.918 4.550 -0.000 0.000 0.344 938 Y C 0.838 176.519 175.900 -0.365 0.000 0.976 938 Y CA -1.217 56.742 58.100 -0.235 0.000 1.040 938 Y CB 1.549 39.918 38.460 -0.152 0.000 1.228 938 Y HN -0.379 nan 8.280 nan 0.000 0.451 991 A N 3.418 126.281 122.820 0.071 0.000 2.445 991 A HA 0.685 5.005 4.320 -0.000 0.000 0.242 991 A C -0.085 177.538 177.584 0.065 0.000 1.075 991 A CA -0.209 51.863 52.037 0.059 0.000 0.777 991 A CB -0.398 18.616 19.000 0.023 0.000 1.013 991 A HN 1.099 nan 8.150 nan 0.000 0.493 992 P HA -0.299 nan 4.420 nan 0.000 0.219 992 P C 0.625 177.932 177.300 0.012 0.000 1.158 992 P CA 2.005 65.098 63.100 -0.012 0.000 0.895 992 P CB 0.094 31.751 31.700 -0.073 0.000 0.792 993 E N -2.915 117.322 120.200 0.062 0.000 4.209 993 E HA -0.179 4.171 4.350 -0.000 0.000 0.398 993 E C 0.500 177.124 176.600 0.040 0.000 0.551 993 E CA 1.044 57.515 56.400 0.118 0.000 1.443 993 E CB -1.750 27.987 29.700 0.062 0.000 1.896 993 E HN 0.164 nan 8.360 nan 0.000 0.371 994 D N 0.168 120.537 120.400 -0.050 0.000 2.346 994 D HA 0.032 4.672 4.640 -0.000 0.000 0.206 994 D C 1.668 177.863 176.300 -0.174 0.000 1.001 994 D CA 0.554 54.512 54.000 -0.070 0.000 0.871 994 D CB 0.072 40.840 40.800 -0.053 0.000 0.943 994 D HN 0.274 nan 8.370 nan 0.000 0.518 995 L N -0.091 120.914 121.223 -0.363 0.000 2.622 995 L HA -0.045 4.295 4.340 -0.000 0.000 0.233 995 L C 0.477 176.771 176.870 -0.962 0.000 1.156 995 L CA 1.313 55.787 54.840 -0.609 0.000 0.866 995 L CB -0.380 41.217 42.059 -0.771 0.000 0.980 995 L HN -0.069 nan 8.230 nan 0.000 0.448 996 Y N -1.360 118.706 120.300 -0.390 0.000 2.500 996 Y HA 0.298 4.848 4.550 -0.000 0.000 0.246 996 Y C 0.992 176.791 175.900 -0.168 0.000 1.146 996 Y CA -1.038 56.663 58.100 -0.665 0.000 1.230 996 Y CB -0.208 37.935 38.460 -0.528 0.000 1.214 996 Y HN 0.001 nan 8.280 nan 0.000 0.526 997 K N 2.232 122.663 120.400 0.053 0.000 2.504 997 K HA -0.126 4.194 4.320 -0.000 0.000 0.278 997 K C -0.286 176.450 176.600 0.226 0.000 1.025 997 K CA 1.191 57.552 56.287 0.123 0.000 1.093 997 K CB -0.026 32.516 32.500 0.070 0.000 0.873 997 K HN 0.354 nan 8.250 nan 0.000 0.483 998 D N 1.736 122.263 120.400 0.212 0.000 2.947 998 D HA -0.204 4.436 4.640 -0.000 0.000 0.224 998 D C -0.766 175.668 176.300 0.223 0.000 1.132 998 D CA 0.926 55.035 54.000 0.181 0.000 0.801 998 D CB -1.252 39.630 40.800 0.137 0.000 1.097 998 D HN 0.225 nan 8.370 nan 0.000 0.431 999 F N 0.066 120.007 119.950 -0.016 0.000 2.483 999 F HA 0.551 5.078 4.527 -0.000 0.000 0.329 999 F C 0.875 176.540 175.800 -0.225 0.000 1.064 999 F CA -0.702 57.264 58.000 -0.057 0.000 0.986 999 F CB 1.103 40.118 39.000 0.024 0.000 1.218 999 F HN -0.230 nan 8.300 nan 0.000 0.484 1000 L N 1.373 122.512 121.223 -0.139 0.000 2.343 1000 L HA 0.641 4.981 4.340 -0.000 0.000 0.275 1000 L C 0.000 176.753 176.870 -0.196 0.000 1.056 1000 L CA -0.508 54.136 54.840 -0.327 0.000 0.804 1000 L CB 1.758 43.790 42.059 -0.046 0.000 1.203 1000 L HN 0.748 nan 8.230 nan 0.000 0.440 1001 T N -1.967 112.615 114.554 0.045 0.000 2.865 1001 T HA 0.384 4.734 4.350 -0.000 0.000 0.294 1001 T C 0.891 175.599 174.700 0.013 0.000 1.119 1001 T CA -0.868 61.124 62.100 -0.179 0.000 1.007 1001 T CB 1.220 70.035 68.868 -0.088 0.000 1.225 1001 T HN 0.412 nan 8.240 nan 0.000 0.515 1002 L N 0.310 121.461 121.223 -0.121 0.000 2.129 1002 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 1002 L C 2.895 179.768 176.870 0.005 0.000 1.087 1002 L CA 1.807 56.664 54.840 0.029 0.000 0.757 1002 L CB -0.393 41.591 42.059 -0.125 0.000 0.896 1002 L HN 0.892 nan 8.230 nan 0.000 0.434 1003 E N -0.651 119.502 120.200 -0.079 0.000 2.072 1003 E HA -0.244 4.106 4.350 -0.000 0.000 0.191 1003 E C 2.020 178.496 176.600 -0.205 0.000 0.985 1003 E CA 1.350 57.674 56.400 -0.127 0.000 0.801 1003 E CB 0.041 29.631 29.700 -0.184 0.000 0.750 1003 E HN 0.567 nan 8.360 nan 0.000 0.452 1004 H N 0.216 119.144 119.070 -0.236 0.000 2.321 1004 H HA -0.099 4.456 4.556 -0.000 0.000 0.300 1004 H C 2.132 177.015 175.328 -0.741 0.000 1.087 1004 H CA 1.761 57.505 56.048 -0.507 0.000 1.319 1004 H CB -0.071 29.445 29.762 -0.411 0.000 1.379 1004 H HN 0.153 nan 8.280 nan 0.000 0.501 1005 L N -0.170 120.899 121.223 -0.256 0.000 2.056 1005 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 1005 L C 2.154 178.952 176.870 -0.119 0.000 1.078 1005 L CA 1.125 55.778 54.840 -0.312 0.000 0.749 1005 L CB -0.417 41.309 42.059 -0.554 0.000 0.901 1005 L HN 0.294 nan 8.230 nan 0.000 0.433 1006 I N -0.891 119.719 120.570 0.065 0.000 2.394 1006 I HA -0.307 3.863 4.170 -0.000 0.000 0.251 1006 I C 2.796 179.000 176.117 0.146 0.000 1.136 1006 I CA 0.787 62.207 61.300 0.200 0.000 1.425 1006 I CB -0.320 37.757 38.000 0.130 0.000 1.079 1006 I HN 0.404 nan 8.210 nan 0.000 0.425 1007 C N 0.429 119.742 119.300 0.022 0.000 2.446 1007 C HA -0.204 4.256 4.460 -0.000 0.000 0.277 1007 C C 2.871 177.990 174.990 0.215 0.000 1.275 1007 C CA 0.692 59.773 59.018 0.104 0.000 1.727 1007 C CB -0.872 26.832 27.740 -0.059 0.000 2.010 1007 C HN 0.451 nan 8.230 nan 0.000 0.486 1008 Y N 1.510 121.887 120.300 0.128 0.000 2.165 1008 Y HA -0.124 4.426 4.550 -0.000 0.000 0.286 1008 Y C 2.888 178.883 175.900 0.157 0.000 1.155 1008 Y CA 1.691 59.847 58.100 0.094 0.000 1.164 1008 Y CB -1.279 37.196 38.460 0.025 0.000 0.978 1008 Y HN 0.325 nan 8.280 nan 0.000 0.513 1009 S N -0.180 115.739 115.700 0.366 0.000 2.383 1009 S HA -0.155 4.315 4.470 -0.000 0.000 0.227 1009 S C 1.848 176.770 174.600 0.536 0.000 1.026 1009 S CA 0.989 59.444 58.200 0.426 0.000 0.981 1009 S CB -0.696 62.759 63.200 0.426 0.000 0.818 1009 S HN 0.397 nan 8.310 nan 0.000 0.472 1010 F N 2.792 122.892 119.950 0.249 0.000 2.069 1010 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 1010 F C 2.308 178.204 175.800 0.161 0.000 1.113 1010 F CA 1.493 59.603 58.000 0.183 0.000 1.214 1010 F CB -1.073 37.994 39.000 0.112 0.000 0.978 1010 F HN 0.208 nan 8.300 nan 0.000 0.474 1011 Q N -0.372 119.496 119.800 0.114 0.000 2.061 1011 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 1011 Q C 2.301 178.307 176.000 0.010 0.000 0.984 1011 Q CA 2.081 57.858 55.803 -0.043 0.000 0.846 1011 Q CB -0.610 28.158 28.738 0.050 0.000 0.902 1011 Q HN 0.343 nan 8.270 nan 0.000 0.421 1012 V N 1.094 121.098 119.914 0.149 0.000 2.343 1012 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 1012 V C 2.312 178.448 176.094 0.069 0.000 1.051 1012 V CA 1.800 64.192 62.300 0.153 0.000 1.036 1012 V CB -1.050 30.969 31.823 0.326 0.000 0.654 1012 V HN 0.408 nan 8.190 nan 0.000 0.451 1013 A N -0.517 122.389 122.820 0.143 0.000 1.978 1013 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 1013 A C 2.313 179.812 177.584 -0.142 0.000 1.170 1013 A CA 1.778 53.742 52.037 -0.121 0.000 0.636 1013 A CB -0.400 18.603 19.000 0.006 0.000 0.810 1013 A HN 0.516 nan 8.150 nan 0.000 0.448 1014 K N -0.986 119.337 120.400 -0.128 0.000 2.097 1014 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 1014 K C 2.108 178.553 176.600 -0.258 0.000 1.050 1014 K CA 1.064 57.252 56.287 -0.164 0.000 0.938 1014 K CB -0.368 31.991 32.500 -0.234 0.000 0.718 1014 K HN 0.482 nan 8.250 nan 0.000 0.442 1015 G N 0.921 109.528 108.800 -0.321 0.000 2.421 1015 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 1015 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 1015 G C 1.468 176.158 174.900 -0.350 0.000 1.143 1015 G CA 0.261 45.080 45.100 -0.469 0.000 0.784 1015 G HN 0.055 nan 8.290 nan 0.000 0.541 1016 M N 0.470 119.800 119.600 -0.451 0.000 2.200 1016 M HA 0.066 4.546 4.480 -0.000 0.000 0.265 1016 M C 2.210 178.181 176.300 -0.548 0.000 1.066 1016 M CA 0.894 55.745 55.300 -0.748 0.000 1.127 1016 M CB -0.926 30.606 32.600 -1.780 0.000 1.379 1016 M HN 0.454 nan 8.290 nan 0.000 0.420 1017 E N -0.186 119.821 120.200 -0.321 0.000 2.085 1017 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 1017 E C 1.956 178.549 176.600 -0.012 0.000 0.994 1017 E CA 1.329 57.703 56.400 -0.042 0.000 0.801 1017 E CB -0.199 29.525 29.700 0.039 0.000 0.743 1017 E HN 0.336 nan 8.360 nan 0.000 0.453 1018 F N 0.632 120.450 119.950 -0.221 0.000 2.134 1018 F HA -0.165 4.362 4.527 -0.000 0.000 0.299 1018 F C 1.867 177.584 175.800 -0.139 0.000 1.097 1018 F CA 1.013 58.904 58.000 -0.180 0.000 1.264 1018 F CB -0.201 38.574 39.000 -0.376 0.000 1.001 1018 F HN 0.079 nan 8.300 nan 0.000 0.479 1019 L N 0.162 121.306 121.223 -0.133 0.000 2.083 1019 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 1019 L C 2.664 179.455 176.870 -0.130 0.000 1.083 1019 L CA 1.796 56.543 54.840 -0.156 0.000 0.752 1019 L CB -1.468 40.539 42.059 -0.086 0.000 0.899 1019 L HN 0.210 nan 8.230 nan 0.000 0.433 1020 A N -1.480 121.293 122.820 -0.078 0.000 1.877 1020 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 1020 A C 2.561 180.118 177.584 -0.045 0.000 1.186 1020 A CA 1.991 54.034 52.037 0.009 0.000 0.620 1020 A CB -1.112 17.952 19.000 0.107 0.000 0.822 1020 A HN 0.456 nan 8.150 nan 0.000 0.443 1021 S N -0.227 115.413 115.700 -0.101 0.000 2.372 1021 S HA -0.217 4.253 4.470 -0.000 0.000 0.227 1021 S C 1.608 176.095 174.600 -0.189 0.000 1.044 1021 S CA 1.555 59.674 58.200 -0.135 0.000 1.050 1021 S CB -0.359 62.740 63.200 -0.168 0.000 0.901 1021 S HN 0.468 nan 8.310 nan 0.000 0.447 1022 R N 1.334 121.646 120.500 -0.314 0.000 2.449 1022 R HA 0.278 4.618 4.340 -0.000 0.000 0.262 1022 R C 0.021 176.300 176.300 -0.035 0.000 1.006 1022 R CA -0.025 55.931 56.100 -0.240 0.000 1.104 1022 R CB -0.959 29.068 30.300 -0.455 0.000 1.206 1022 R HN 0.565 nan 8.270 nan 0.000 0.538 1023 K N 0.095 120.474 120.400 -0.034 0.000 3.451 1023 K HA -0.196 4.124 4.320 -0.000 0.000 0.273 1023 K C -0.586 176.029 176.600 0.025 0.000 0.944 1023 K CA 0.610 56.906 56.287 0.014 0.000 0.734 1023 K CB -1.875 30.641 32.500 0.027 0.000 1.437 1023 K HN 0.274 nan 8.250 nan 0.000 0.454 1024 C N 0.255 119.564 119.300 0.015 0.000 2.779 1024 C HA 0.822 5.282 4.460 -0.000 0.000 0.314 1024 C C 0.364 175.388 174.990 0.057 0.000 1.231 1024 C CA -1.098 57.936 59.018 0.028 0.000 1.652 1024 C CB 1.248 28.994 27.740 0.009 0.000 2.198 1024 C HN 0.566 nan 8.230 nan 0.000 0.483 1025 I N -0.102 120.514 120.570 0.076 0.000 2.689 1025 I HA 0.444 4.614 4.170 -0.000 0.000 0.299 1025 I C 0.836 177.023 176.117 0.116 0.000 1.059 1025 I CA -0.377 61.003 61.300 0.133 0.000 1.055 1025 I CB 1.374 39.477 38.000 0.171 0.000 1.243 1025 I HN 0.786 nan 8.210 nan 0.000 0.425 1026 H N 4.909 124.025 119.070 0.078 0.000 2.329 1026 H HA 0.173 4.729 4.556 -0.000 0.000 0.306 1026 H C 0.961 176.322 175.328 0.056 0.000 1.062 1026 H CA 2.048 58.125 56.048 0.049 0.000 1.364 1026 H CB 0.471 30.268 29.762 0.058 0.000 1.409 1026 H HN 0.874 nan 8.280 nan 0.000 0.519 1027 R N -0.998 119.702 120.500 0.333 0.000 3.218 1027 R HA -0.168 4.172 4.340 -0.000 0.000 0.397 1027 R C -0.491 176.040 176.300 0.387 0.000 0.440 1027 R CA 1.364 57.638 56.100 0.290 0.000 1.454 1027 R CB -1.428 28.845 30.300 -0.046 0.000 1.907 1027 R HN 0.399 nan 8.270 nan 0.000 0.306 1028 D N 0.491 121.220 120.400 0.549 0.000 3.100 1028 D HA 0.175 4.815 4.640 -0.000 0.000 0.350 1028 D C -1.281 175.130 176.300 0.186 0.000 1.310 1028 D CA -0.370 53.840 54.000 0.350 0.000 0.741 1028 D CB 0.458 41.378 40.800 0.200 0.000 1.248 1028 D HN 0.019 nan 8.370 nan 0.000 0.527 1029 L N 1.825 123.085 121.223 0.062 0.000 2.500 1029 L HA 0.623 4.963 4.340 -0.000 0.000 0.272 1029 L C -0.401 176.421 176.870 -0.080 0.000 1.149 1029 L CA 0.317 55.019 54.840 -0.230 0.000 0.897 1029 L CB -0.060 41.993 42.059 -0.009 0.000 1.178 1029 L HN 0.298 nan 8.230 nan 0.000 0.473 1030 A N 3.964 126.656 122.820 -0.214 0.000 2.610 1030 A HA 0.717 5.037 4.320 -0.000 0.000 0.291 1030 A C 0.641 178.165 177.584 -0.101 0.000 1.086 1030 A CA -0.151 51.730 52.037 -0.260 0.000 0.677 1030 A CB 0.464 18.780 19.000 -1.140 0.000 1.278 1030 A HN 0.933 nan 8.150 nan 0.000 0.414 1031 A N 0.811 123.657 122.820 0.043 0.000 1.917 1031 A HA -0.205 4.114 4.320 -0.000 0.000 0.219 1031 A C 1.956 179.531 177.584 -0.015 0.000 1.182 1031 A CA 2.215 54.276 52.037 0.041 0.000 0.633 1031 A CB -0.693 18.373 19.000 0.111 0.000 0.819 1031 A HN 1.087 nan 8.150 nan 0.000 0.448 1032 R N -1.060 119.397 120.500 -0.072 0.000 2.241 1032 R HA -0.033 4.307 4.340 -0.000 0.000 0.224 1032 R C 0.078 176.380 176.300 0.004 0.000 1.101 1032 R CA 1.464 57.505 56.100 -0.097 0.000 0.995 1032 R CB -0.450 29.741 30.300 -0.181 0.000 0.870 1032 R HN 0.342 nan 8.270 nan 0.000 0.463 1033 N N 0.560 119.272 118.700 0.020 0.000 2.321 1033 N HA 0.205 4.945 4.740 -0.000 0.000 0.242 1033 N C -0.919 174.633 175.510 0.069 0.000 1.141 1033 N CA 0.022 53.155 53.050 0.138 0.000 0.864 1033 N CB 0.686 39.230 38.487 0.095 0.000 1.100 1033 N HN 0.111 nan 8.380 nan 0.000 0.510 1034 I N 1.324 121.921 120.570 0.045 0.000 2.465 1034 I HA 0.400 4.570 4.170 -0.000 0.000 0.291 1034 I C -0.098 176.018 176.117 -0.002 0.000 1.014 1034 I CA -0.655 60.642 61.300 -0.004 0.000 1.093 1034 I CB 1.913 39.891 38.000 -0.036 0.000 1.267 1034 I HN -0.212 nan 8.210 nan 0.000 0.431 1035 L N 5.669 126.872 121.223 -0.034 0.000 2.329 1035 L HA 0.488 4.828 4.340 -0.000 0.000 0.279 1035 L C -0.555 176.243 176.870 -0.120 0.000 1.014 1035 L CA -0.951 53.858 54.840 -0.052 0.000 0.814 1035 L CB 2.194 44.219 42.059 -0.057 0.000 1.257 1035 L HN 0.308 nan 8.230 nan 0.000 0.424 1036 L N 2.248 123.380 121.223 -0.152 0.000 2.257 1036 L HA 0.459 4.799 4.340 -0.000 0.000 0.290 1036 L C 0.127 176.988 176.870 -0.016 0.000 1.044 1036 L CA 0.794 55.504 54.840 -0.216 0.000 0.810 1036 L CB 1.286 43.057 42.059 -0.479 0.000 1.193 1036 L HN 0.627 nan 8.230 nan 0.000 0.425 1037 S N 2.803 118.504 115.700 0.002 0.000 2.677 1037 S HA 0.514 4.984 4.470 -0.000 0.000 0.290 1037 S C -0.374 174.344 174.600 0.198 0.000 1.124 1037 S CA -0.622 57.633 58.200 0.091 0.000 1.017 1037 S CB 0.660 63.873 63.200 0.021 0.000 1.215 1037 S HN 0.735 nan 8.310 nan 0.000 0.524 1038 E N 1.034 121.353 120.200 0.197 0.000 2.354 1038 E HA 0.275 4.625 4.350 -0.000 0.000 0.269 1038 E C -0.621 176.040 176.600 0.101 0.000 1.036 1038 E CA 0.098 56.630 56.400 0.220 0.000 0.876 1038 E CB 0.388 30.200 29.700 0.186 0.000 1.009 1038 E HN 0.463 nan 8.360 nan 0.000 0.416 1039 K N 2.583 123.027 120.400 0.073 0.000 3.241 1039 K HA -0.250 4.070 4.320 -0.000 0.000 0.270 1039 K C -0.828 175.805 176.600 0.056 0.000 1.118 1039 K CA 0.508 56.826 56.287 0.052 0.000 0.792 1039 K CB -1.765 30.766 32.500 0.052 0.000 1.283 1039 K HN 0.832 nan 8.250 nan 0.000 0.480 1040 N N -1.189 117.542 118.700 0.051 0.000 2.701 1040 N HA -0.213 4.527 4.740 -0.000 0.000 0.250 1040 N C -0.708 174.906 175.510 0.173 0.000 1.046 1040 N CA 0.947 54.093 53.050 0.159 0.000 0.733 1040 N CB -0.364 38.250 38.487 0.211 0.000 0.973 1040 N HN 0.135 nan 8.380 nan 0.000 0.541 1041 V N 1.136 121.095 119.914 0.075 0.000 2.370 1041 V HA 0.421 4.541 4.120 -0.000 0.000 0.279 1041 V C 0.637 176.734 176.094 0.006 0.000 1.029 1041 V CA -0.817 61.516 62.300 0.054 0.000 0.870 1041 V CB 1.415 33.255 31.823 0.029 0.000 0.984 1041 V HN 0.120 nan 8.190 nan 0.000 0.451 1042 V N 3.122 123.042 119.914 0.010 0.000 2.716 1042 V HA 0.707 4.827 4.120 -0.000 0.000 0.304 1042 V C -0.340 175.730 176.094 -0.039 0.000 1.053 1042 V CA -0.940 61.324 62.300 -0.060 0.000 0.984 1042 V CB 1.453 33.224 31.823 -0.087 0.000 1.021 1042 V HN 0.828 nan 8.190 nan 0.000 0.467 1043 K N 3.239 123.605 120.400 -0.056 0.000 2.443 1043 K HA 0.614 4.934 4.320 -0.000 0.000 0.252 1043 K C -1.178 175.395 176.600 -0.046 0.000 0.933 1043 K CA -0.639 55.618 56.287 -0.049 0.000 0.792 1043 K CB 2.624 35.093 32.500 -0.052 0.000 1.185 1043 K HN 0.649 nan 8.250 nan 0.000 0.425 1044 I N 3.124 123.669 120.570 -0.042 0.000 2.529 1044 I HA 0.098 4.268 4.170 -0.000 0.000 0.284 1044 I C 0.606 176.724 176.117 0.001 0.000 1.082 1044 I CA -0.054 61.233 61.300 -0.022 0.000 1.406 1044 I CB 0.313 38.300 38.000 -0.021 0.000 1.405 1044 I HN 0.784 nan 8.210 nan 0.000 0.548 1045 C N 3.215 122.538 119.300 0.039 0.000 3.311 1045 C HA 0.724 5.184 4.460 -0.000 0.000 0.366 1045 C C -1.334 173.722 174.990 0.110 0.000 1.694 1045 C CA -0.685 58.330 59.018 -0.005 0.000 1.244 1045 C CB 1.869 29.516 27.740 -0.155 0.000 2.038 1045 C HN 0.759 nan 8.230 nan 0.000 0.436 1046 D N -0.695 119.660 120.400 -0.075 0.000 2.470 1046 D HA 0.444 5.084 4.640 -0.000 0.000 0.233 1046 D C -0.418 175.790 176.300 -0.152 0.000 1.372 1046 D CA -0.502 53.473 54.000 -0.041 0.000 0.994 1046 D CB 0.751 41.440 40.800 -0.186 0.000 1.377 1046 D HN 0.460 nan 8.370 nan 0.000 0.586 1047 F N 1.297 121.223 119.950 -0.040 0.000 2.558 1047 F HA 0.260 4.786 4.527 -0.000 0.000 0.298 1047 F C 1.858 177.634 175.800 -0.041 0.000 1.119 1047 F CA 0.633 58.627 58.000 -0.011 0.000 1.451 1047 F CB 0.428 39.445 39.000 0.028 0.000 1.091 1047 F HN 0.348 nan 8.300 nan 0.000 0.563 1048 G N -0.504 108.321 108.800 0.041 0.000 2.583 1048 G HA2 0.462 4.422 3.960 -0.000 0.000 0.280 1048 G HA3 0.462 4.422 3.960 -0.000 0.000 0.280 1048 G C -1.453 173.194 174.900 -0.421 0.000 1.376 1048 G CA -0.364 44.676 45.100 -0.100 0.000 1.043 1048 G HN -0.055 nan 8.290 nan 0.000 0.538 1049 L N 0.905 121.890 121.223 -0.396 0.000 2.457 1049 L HA 0.677 5.017 4.340 -0.000 0.000 0.252 1049 L C 0.774 177.509 176.870 -0.225 0.000 1.132 1049 L CA -0.668 53.921 54.840 -0.419 0.000 0.938 1049 L CB 0.079 41.836 42.059 -0.504 0.000 1.246 1049 L HN 0.696 nan 8.230 nan 0.000 0.476 1065 A N 3.603 126.453 122.820 0.050 0.000 2.186 1065 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 1065 A C 1.624 179.245 177.584 0.061 0.000 1.159 1065 A CA 1.029 53.093 52.037 0.046 0.000 0.680 1065 A CB -0.215 18.803 19.000 0.031 0.000 0.787 1065 A HN 0.559 nan 8.150 nan 0.000 0.467 1066 R N -0.898 119.643 120.500 0.069 0.000 2.320 1066 R HA 0.336 4.676 4.340 -0.000 0.000 0.211 1066 R C -0.168 176.243 176.300 0.184 0.000 0.931 1066 R CA -0.125 56.023 56.100 0.080 0.000 1.071 1066 R CB -0.354 29.955 30.300 0.015 0.000 1.025 1066 R HN 0.441 nan 8.270 nan 0.000 0.495 1067 L N 1.710 123.034 121.223 0.169 0.000 3.965 1067 L HA -0.198 4.142 4.340 -0.000 0.000 0.476 1067 L C -1.293 175.788 176.870 0.352 0.000 1.201 1067 L CA -0.544 54.417 54.840 0.201 0.000 0.710 1067 L CB -0.737 41.418 42.059 0.160 0.000 1.509 1067 L HN 0.135 nan 8.230 nan 0.000 0.815 1068 P HA -0.219 nan 4.420 nan 0.000 0.220 1068 P C 1.667 179.208 177.300 0.401 0.000 1.144 1068 P CA 1.246 64.580 63.100 0.391 0.000 0.800 1068 P CB 0.256 32.089 31.700 0.221 0.000 0.772 1069 L N -0.456 120.905 121.223 0.231 0.000 2.261 1069 L HA -0.131 4.209 4.340 -0.000 0.000 0.216 1069 L C 2.438 179.403 176.870 0.158 0.000 1.114 1069 L CA 1.457 56.382 54.840 0.142 0.000 0.777 1069 L CB -0.561 41.532 42.059 0.057 0.000 0.910 1069 L HN 0.035 nan 8.230 nan 0.000 0.440 1070 K N -1.053 119.423 120.400 0.126 0.000 2.362 1070 K HA -0.157 4.163 4.320 -0.000 0.000 0.200 1070 K C 1.340 177.895 176.600 -0.076 0.000 1.046 1070 K CA 0.885 57.126 56.287 -0.077 0.000 0.952 1070 K CB 0.032 32.261 32.500 -0.452 0.000 0.753 1070 K HN 0.458 nan 8.250 nan 0.000 0.466 1071 W N 0.549 122.011 121.300 0.270 0.000 3.132 1071 W HA 0.266 4.926 4.660 -0.000 0.000 0.364 1071 W C 0.102 176.820 176.519 0.333 0.000 1.129 1071 W CA -0.348 57.197 57.345 0.334 0.000 1.815 1071 W CB 0.194 29.813 29.460 0.265 0.000 1.099 1071 W HN -0.038 nan 8.180 nan 0.000 0.605 1072 M N 0.496 120.282 119.600 0.310 0.000 2.318 1072 M HA 0.477 4.957 4.480 -0.000 0.000 0.347 1072 M C 0.446 176.472 176.300 -0.457 0.000 1.175 1072 M CA -0.268 55.040 55.300 0.012 0.000 1.075 1072 M CB 1.437 33.989 32.600 -0.080 0.000 1.614 1072 M HN -0.274 nan 8.290 nan 0.000 0.456 1073 A N 3.299 125.706 122.820 -0.687 0.000 2.316 1073 A HA 0.474 4.794 4.320 -0.000 0.000 0.284 1073 A C -1.968 175.085 177.584 -0.885 0.000 1.115 1073 A CA -1.533 49.724 52.037 -1.299 0.000 0.812 1073 A CB -0.021 18.588 19.000 -0.652 0.000 1.064 1073 A HN 0.595 nan 8.150 nan 0.000 0.489 1074 P HA -0.277 nan 4.420 nan 0.000 0.217 1074 P C 1.367 178.455 177.300 -0.353 0.000 1.158 1074 P CA 1.935 64.680 63.100 -0.591 0.000 0.887 1074 P CB 0.082 31.607 31.700 -0.291 0.000 0.792 1075 E N -1.027 119.028 120.200 -0.242 0.000 2.209 1075 E HA -0.161 4.189 4.350 -0.000 0.000 0.196 1075 E C 1.266 177.740 176.600 -0.209 0.000 0.993 1075 E CA 1.728 58.050 56.400 -0.130 0.000 0.819 1075 E CB -1.516 28.127 29.700 -0.096 0.000 0.745 1075 E HN 0.227 nan 8.360 nan 0.000 0.477 1076 T N 1.590 115.928 114.554 -0.360 0.000 2.894 1076 T HA 0.100 4.450 4.350 -0.000 0.000 0.258 1076 T C 2.151 176.619 174.700 -0.387 0.000 1.043 1076 T CA 0.882 62.703 62.100 -0.465 0.000 1.141 1076 T CB -0.117 68.357 68.868 -0.657 0.000 0.873 1076 T HN 0.111 nan 8.240 nan 0.000 0.449 1077 I N 0.566 120.849 120.570 -0.478 0.000 2.113 1077 I HA -0.141 4.029 4.170 -0.000 0.000 0.238 1077 I C 2.098 177.976 176.117 -0.398 0.000 1.070 1077 I CA 1.613 62.609 61.300 -0.507 0.000 1.332 1077 I CB -0.464 37.044 38.000 -0.820 0.000 1.044 1077 I HN 0.135 nan 8.210 nan 0.000 0.402 1078 F N 1.089 120.958 119.950 -0.135 0.000 2.113 1078 F HA -0.174 4.353 4.527 -0.000 0.000 0.297 1078 F C 1.867 177.620 175.800 -0.078 0.000 1.103 1078 F CA 1.103 59.043 58.000 -0.100 0.000 1.248 1078 F CB -0.723 38.212 39.000 -0.108 0.000 0.999 1078 F HN 0.163 nan 8.300 nan 0.000 0.475 1079 D N -0.344 120.103 120.400 0.077 0.000 2.402 1079 D HA 0.094 4.734 4.640 -0.000 0.000 0.216 1079 D C 0.119 176.417 176.300 -0.004 0.000 1.128 1079 D CA -0.121 53.899 54.000 0.034 0.000 0.833 1079 D CB -0.173 40.644 40.800 0.029 0.000 0.971 1079 D HN 0.143 nan 8.370 nan 0.000 0.503 1080 R N 0.328 120.803 120.500 -0.042 0.000 3.109 1080 R HA -0.140 4.200 4.340 -0.000 0.000 0.241 1080 R C -0.853 175.457 176.300 0.016 0.000 0.882 1080 R CA 0.204 56.295 56.100 -0.016 0.000 0.604 1080 R CB -1.765 28.575 30.300 0.065 0.000 1.040 1080 R HN 0.048 nan 8.270 nan 0.000 0.480 1081 V N 1.852 121.706 119.914 -0.100 0.000 2.378 1081 V HA 0.305 4.425 4.120 -0.000 0.000 0.288 1081 V C -0.369 175.664 176.094 -0.102 0.000 1.016 1081 V CA -0.687 61.599 62.300 -0.023 0.000 0.840 1081 V CB 1.169 32.977 31.823 -0.024 0.000 0.994 1081 V HN 0.132 nan 8.190 nan 0.000 0.431 1082 Y N 3.221 123.528 120.300 0.013 0.000 2.342 1082 Y HA 0.633 5.183 4.550 -0.000 0.000 0.338 1082 Y C 0.865 176.796 175.900 0.053 0.000 0.965 1082 Y CA -0.494 57.629 58.100 0.038 0.000 1.159 1082 Y CB 1.887 40.371 38.460 0.042 0.000 1.157 1082 Y HN 0.769 nan 8.280 nan 0.000 0.486 1083 T N -1.049 113.613 114.554 0.180 0.000 2.888 1083 T HA 0.308 4.658 4.350 -0.000 0.000 0.288 1083 T C 0.582 175.393 174.700 0.184 0.000 1.063 1083 T CA -0.764 61.428 62.100 0.152 0.000 1.010 1083 T CB 1.380 70.306 68.868 0.097 0.000 1.214 1083 T HN 0.382 nan 8.240 nan 0.000 0.533 1084 I N 0.743 121.416 120.570 0.172 0.000 2.454 1084 I HA -0.098 4.072 4.170 -0.000 0.000 0.254 1084 I C 2.186 178.425 176.117 0.203 0.000 1.156 1084 I CA 1.547 62.984 61.300 0.227 0.000 1.433 1084 I CB -0.639 37.483 38.000 0.204 0.000 1.082 1084 I HN 0.562 nan 8.210 nan 0.000 0.432 1085 Q N -0.171 119.701 119.800 0.120 0.000 2.311 1085 Q HA -0.024 4.316 4.340 -0.000 0.000 0.203 1085 Q C 2.389 178.476 176.000 0.145 0.000 0.954 1085 Q CA 1.371 57.218 55.803 0.072 0.000 0.885 1085 Q CB -0.368 28.399 28.738 0.048 0.000 0.963 1085 Q HN 0.707 nan 8.270 nan 0.000 0.471 1086 S N -0.020 115.781 115.700 0.169 0.000 2.461 1086 S HA -0.060 4.410 4.470 -0.000 0.000 0.228 1086 S C 1.211 176.008 174.600 0.328 0.000 1.005 1086 S CA 0.723 59.038 58.200 0.191 0.000 0.942 1086 S CB 0.063 63.293 63.200 0.050 0.000 0.776 1086 S HN 0.092 nan 8.310 nan 0.000 0.514 1087 D N 1.531 122.145 120.400 0.356 0.000 2.224 1087 D HA 0.060 4.700 4.640 -0.000 0.000 0.205 1087 D C 1.857 178.494 176.300 0.561 0.000 0.965 1087 D CA 0.411 54.703 54.000 0.487 0.000 0.852 1087 D CB -0.189 40.937 40.800 0.543 0.000 0.947 1087 D HN 0.298 nan 8.370 nan 0.000 0.494 1088 V N 0.560 120.648 119.914 0.291 0.000 2.548 1088 V HA -0.149 3.971 4.120 -0.000 0.000 0.249 1088 V C 2.058 178.353 176.094 0.335 0.000 1.055 1088 V CA 0.938 63.267 62.300 0.048 0.000 1.065 1088 V CB -0.354 31.294 31.823 -0.291 0.000 0.681 1088 V HN 0.423 nan 8.190 nan 0.000 0.462 1089 W N 1.157 122.601 121.300 0.240 0.000 2.379 1089 W HA -0.177 4.483 4.660 -0.000 0.000 0.307 1089 W C 2.444 179.235 176.519 0.453 0.000 1.200 1089 W CA 1.924 59.480 57.345 0.353 0.000 1.297 1089 W CB -0.555 29.079 29.460 0.290 0.000 1.140 1089 W HN 0.316 nan 8.180 nan 0.000 0.507 1090 S N 0.994 117.156 115.700 0.770 0.000 2.370 1090 S HA -0.265 4.205 4.470 -0.000 0.000 0.226 1090 S C 1.574 176.516 174.600 0.569 0.000 1.033 1090 S CA 1.774 60.395 58.200 0.701 0.000 1.011 1090 S CB -1.161 62.405 63.200 0.611 0.000 0.852 1090 S HN 0.337 nan 8.310 nan 0.000 0.457 1091 F N 2.513 122.706 119.950 0.406 0.000 2.250 1091 F HA -0.042 4.485 4.527 -0.000 0.000 0.301 1091 F C 2.134 178.071 175.800 0.229 0.000 1.077 1091 F CA 1.060 59.266 58.000 0.342 0.000 1.348 1091 F CB -0.745 38.513 39.000 0.429 0.000 1.040 1091 F HN 0.214 nan 8.300 nan 0.000 0.509 1092 G N -0.362 108.523 108.800 0.141 0.000 2.402 1092 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.216 1092 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.216 1092 G C 1.693 176.652 174.900 0.098 0.000 1.162 1092 G CA 1.001 45.974 45.100 -0.212 0.000 0.777 1092 G HN 0.312 nan 8.290 nan 0.000 0.539 1093 V N 0.832 120.994 119.914 0.414 0.000 2.427 1093 V HA -0.108 4.012 4.120 -0.000 0.000 0.248 1093 V C 2.645 178.963 176.094 0.373 0.000 1.051 1093 V CA 1.477 64.010 62.300 0.389 0.000 1.048 1093 V CB -0.404 31.498 31.823 0.132 0.000 0.666 1093 V HN 0.352 nan 8.190 nan 0.000 0.456 1094 L N -0.387 121.018 121.223 0.302 0.000 2.083 1094 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 1094 L C 2.165 179.089 176.870 0.089 0.000 1.083 1094 L CA 1.811 56.777 54.840 0.209 0.000 0.752 1094 L CB -0.448 41.646 42.059 0.057 0.000 0.899 1094 L HN 0.190 nan 8.230 nan 0.000 0.433 1095 L N -2.024 119.173 121.223 -0.043 0.000 2.056 1095 L HA -0.232 4.107 4.340 -0.000 0.000 0.207 1095 L C 2.377 179.430 176.870 0.305 0.000 1.078 1095 L CA 1.703 56.583 54.840 0.066 0.000 0.749 1095 L CB -0.667 41.350 42.059 -0.071 0.000 0.901 1095 L HN 0.528 nan 8.230 nan 0.000 0.433 1096 W N 1.239 122.616 121.300 0.128 0.000 2.374 1096 W HA -0.172 4.488 4.660 -0.000 0.000 0.288 1096 W C 2.345 178.954 176.519 0.149 0.000 1.218 1096 W CA 1.372 58.826 57.345 0.182 0.000 1.245 1096 W CB 0.118 29.711 29.460 0.220 0.000 1.126 1096 W HN 0.098 nan 8.180 nan 0.000 0.545 1097 E N 0.120 120.570 120.200 0.418 0.000 2.047 1097 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 1097 E C 2.134 178.737 176.600 0.006 0.000 0.987 1097 E CA 1.718 58.278 56.400 0.267 0.000 0.799 1097 E CB -0.437 29.473 29.700 0.351 0.000 0.752 1097 E HN 0.349 nan 8.360 nan 0.000 0.449 1098 I N 0.187 120.753 120.570 -0.007 0.000 2.226 1098 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 1098 I C 1.449 177.315 176.117 -0.419 0.000 1.100 1098 I CA 1.174 62.355 61.300 -0.199 0.000 1.374 1098 I CB -0.138 37.725 38.000 -0.229 0.000 1.057 1098 I HN 0.033 nan 8.210 nan 0.000 0.413 1099 F N 0.514 120.367 119.950 -0.163 0.000 2.693 1099 F HA 0.026 4.553 4.527 -0.000 0.000 0.303 1099 F C 1.904 177.550 175.800 -0.256 0.000 1.143 1099 F CA 0.112 57.994 58.000 -0.195 0.000 1.389 1099 F CB -0.216 38.712 39.000 -0.121 0.000 1.060 1099 F HN 0.050 nan 8.300 nan 0.000 0.535 1100 S N -1.265 114.258 115.700 -0.294 0.000 2.629 1100 S HA 0.215 4.685 4.470 -0.000 0.000 0.236 1100 S C 0.554 175.010 174.600 -0.240 0.000 1.010 1100 S CA -0.239 57.744 58.200 -0.362 0.000 0.981 1100 S CB -0.332 62.298 63.200 -0.949 0.000 0.919 1100 S HN 0.250 nan 8.310 nan 0.000 0.514 1101 L N 1.371 122.359 121.223 -0.392 0.000 3.677 1101 L HA -0.239 4.101 4.340 -0.000 0.000 0.464 1101 L C 1.209 177.927 176.870 -0.253 0.000 1.278 1101 L CA 0.414 54.970 54.840 -0.473 0.000 0.806 1101 L CB -1.767 39.820 42.059 -0.787 0.000 1.610 1101 L HN 0.819 nan 8.230 nan 0.000 0.867 1102 G N -1.429 107.274 108.800 -0.161 0.000 2.159 1102 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.256 1102 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.256 1102 G C 0.639 175.550 174.900 0.019 0.000 0.977 1102 G CA 0.353 45.422 45.100 -0.052 0.000 0.652 1102 G HN 1.411 nan 8.290 nan 0.000 0.531 1103 A N -0.229 122.587 122.820 -0.007 0.000 2.433 1103 A HA 0.616 4.936 4.320 -0.000 0.000 0.250 1103 A C 1.055 178.812 177.584 0.287 0.000 1.113 1103 A CA 1.256 53.352 52.037 0.098 0.000 0.794 1103 A CB 0.281 19.290 19.000 0.016 0.000 1.067 1103 A HN 1.619 nan 8.150 nan 0.000 0.510 1104 S N 0.604 116.490 115.700 0.311 0.000 2.429 1104 S HA 0.537 5.007 4.470 -0.000 0.000 0.302 1104 S C -2.627 172.065 174.600 0.154 0.000 1.115 1104 S CA -1.600 56.753 58.200 0.255 0.000 1.095 1104 S CB 0.251 63.540 63.200 0.149 0.000 0.987 1104 S HN 0.432 nan 8.310 nan 0.000 0.474 1105 P HA 0.014 nan 4.420 nan 0.000 0.263 1105 P C -0.939 176.004 177.300 -0.595 0.000 1.175 1105 P CA 0.547 63.206 63.100 -0.735 0.000 0.761 1105 P CB -0.170 31.019 31.700 -0.852 0.000 0.794 1106 Y N 1.093 120.981 120.300 -0.687 0.000 3.001 1106 Y HA -0.168 4.382 4.550 -0.000 0.000 0.187 1106 Y C -1.464 174.280 175.900 -0.261 0.000 1.462 1106 Y CA -0.461 57.382 58.100 -0.428 0.000 0.936 1106 Y CB -2.345 35.850 38.460 -0.442 0.000 1.337 1106 Y HN 0.412 nan 8.280 nan 0.000 0.428 1107 P HA 0.133 nan 4.420 nan 0.000 0.262 1107 P C 1.237 178.548 177.300 0.018 0.000 1.199 1107 P CA 1.778 64.892 63.100 0.023 0.000 0.763 1107 P CB 1.166 32.935 31.700 0.114 0.000 0.790 1108 G N 2.356 111.159 108.800 0.005 0.000 2.304 1108 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.252 1108 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.252 1108 G C 0.152 175.039 174.900 -0.022 0.000 1.014 1108 G CA 0.133 45.232 45.100 -0.001 0.000 0.619 1108 G HN 0.549 nan 8.290 nan 0.000 0.525 1109 V N 1.640 121.532 119.914 -0.037 0.000 2.637 1109 V HA 0.336 4.456 4.120 -0.000 0.000 0.296 1109 V C 0.969 176.975 176.094 -0.147 0.000 1.046 1109 V CA 0.451 62.709 62.300 -0.070 0.000 1.066 1109 V CB 1.547 33.333 31.823 -0.061 0.000 0.968 1109 V HN 0.462 nan 8.190 nan 0.000 0.483 1110 K N 5.006 125.338 120.400 -0.113 0.000 2.316 1110 K HA 0.264 4.584 4.320 -0.000 0.000 0.289 1110 K C -0.263 176.222 176.600 -0.192 0.000 1.070 1110 K CA -0.664 55.551 56.287 -0.120 0.000 0.928 1110 K CB 0.392 32.861 32.500 -0.053 0.000 1.039 1110 K HN 0.485 nan 8.250 nan 0.000 0.480 1111 I N 6.436 126.840 120.570 -0.276 0.000 2.366 1111 I HA -0.013 4.157 4.170 -0.000 0.000 0.302 1111 I C 0.175 176.236 176.117 -0.092 0.000 1.194 1111 I CA 0.127 61.217 61.300 -0.350 0.000 1.667 1111 I CB -1.683 36.083 38.000 -0.390 0.000 1.501 1111 I HN 0.727 nan 8.210 nan 0.000 0.776 1112 D N 2.994 123.400 120.400 0.010 0.000 2.726 1112 D HA 0.217 4.857 4.640 -0.000 0.000 0.241 1112 D C 0.791 177.140 176.300 0.082 0.000 1.150 1112 D CA -0.524 53.499 54.000 0.039 0.000 1.089 1112 D CB 0.534 41.346 40.800 0.021 0.000 1.260 1112 D HN 0.159 nan 8.370 nan 0.000 0.637 1113 E N -0.253 119.980 120.200 0.056 0.000 2.058 1113 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 1113 E C 1.638 178.272 176.600 0.057 0.000 0.997 1113 E CA 1.359 57.793 56.400 0.056 0.000 0.801 1113 E CB -0.023 29.699 29.700 0.035 0.000 0.746 1113 E HN 0.621 nan 8.360 nan 0.000 0.450 1114 E N 0.128 120.358 120.200 0.050 0.000 2.204 1114 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 1114 E C 1.779 178.400 176.600 0.036 0.000 0.990 1114 E CA 0.607 57.028 56.400 0.034 0.000 0.821 1114 E CB -0.095 29.623 29.700 0.030 0.000 0.750 1114 E HN 0.182 nan 8.360 nan 0.000 0.477 1115 F N 0.729 120.629 119.950 -0.083 0.000 2.075 1115 F HA -0.212 4.315 4.527 -0.000 0.000 0.297 1115 F C 2.146 177.867 175.800 -0.132 0.000 1.113 1115 F CA 1.421 59.331 58.000 -0.149 0.000 1.218 1115 F CB -0.682 38.190 39.000 -0.213 0.000 0.984 1115 F HN 0.140 nan 8.300 nan 0.000 0.472 1116 C N 0.862 120.084 119.300 -0.130 0.000 2.413 1116 C HA -0.155 4.305 4.460 -0.000 0.000 0.277 1116 C C 2.859 177.870 174.990 0.035 0.000 1.265 1116 C CA 1.347 60.281 59.018 -0.140 0.000 1.752 1116 C CB -1.431 26.346 27.740 0.062 0.000 1.998 1116 C HN 0.519 nan 8.230 nan 0.000 0.489 1117 R N 0.868 121.370 120.500 0.003 0.000 2.064 1117 R HA -0.092 4.247 4.340 -0.000 0.000 0.228 1117 R C 2.561 178.809 176.300 -0.086 0.000 1.144 1117 R CA 1.334 57.420 56.100 -0.023 0.000 0.932 1117 R CB -0.314 29.965 30.300 -0.034 0.000 0.833 1117 R HN 0.471 nan 8.270 nan 0.000 0.429 1118 R N 0.380 120.804 120.500 -0.127 0.000 2.119 1118 R HA -0.218 4.122 4.340 -0.000 0.000 0.246 1118 R C 2.409 178.598 176.300 -0.185 0.000 1.146 1118 R CA 1.748 57.764 56.100 -0.139 0.000 0.962 1118 R CB -0.759 29.459 30.300 -0.137 0.000 0.863 1118 R HN 0.228 nan 8.270 nan 0.000 0.442 1119 L N 1.518 122.538 121.223 -0.339 0.000 1.989 1119 L HA -0.216 4.124 4.340 -0.000 0.000 0.211 1119 L C 2.340 179.141 176.870 -0.116 0.000 1.071 1119 L CA 1.880 56.519 54.840 -0.335 0.000 0.749 1119 L CB -0.362 41.328 42.059 -0.615 0.000 0.890 1119 L HN 0.028 nan 8.230 nan 0.000 0.431 1120 K N -0.690 119.691 120.400 -0.032 0.000 2.283 1120 K HA -0.147 4.173 4.320 -0.000 0.000 0.202 1120 K C 1.739 178.319 176.600 -0.032 0.000 1.048 1120 K CA 1.218 57.522 56.287 0.028 0.000 0.948 1120 K CB 0.025 32.544 32.500 0.032 0.000 0.742 1120 K HN 0.494 nan 8.250 nan 0.000 0.458 1121 E N -1.170 118.997 120.200 -0.054 0.000 2.358 1121 E HA -0.017 4.333 4.350 -0.000 0.000 0.195 1121 E C 0.829 177.409 176.600 -0.032 0.000 1.010 1121 E CA 0.695 57.065 56.400 -0.050 0.000 0.856 1121 E CB 0.313 29.981 29.700 -0.055 0.000 0.795 1121 E HN 0.529 nan 8.360 nan 0.000 0.504 1122 G N 1.711 110.497 108.800 -0.024 0.000 2.164 1122 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.154 1122 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.154 1122 G C 0.264 175.165 174.900 0.002 0.000 1.014 1122 G CA 0.007 45.107 45.100 -0.000 0.000 0.683 1122 G HN 0.205 nan 8.290 nan 0.000 0.500 1123 T N 0.913 115.451 114.554 -0.028 0.000 2.907 1123 T HA 0.762 5.112 4.350 -0.000 0.000 0.298 1123 T C 0.242 174.927 174.700 -0.026 0.000 1.017 1123 T CA -0.269 61.818 62.100 -0.022 0.000 1.118 1123 T CB 2.198 71.039 68.868 -0.044 0.000 0.948 1123 T HN 0.375 nan 8.240 nan 0.000 0.531 1124 R N 1.236 121.738 120.500 0.004 0.000 2.855 1124 R HA 0.504 4.844 4.340 -0.000 0.000 0.266 1124 R C -0.265 176.027 176.300 -0.014 0.000 1.034 1124 R CA -1.076 54.981 56.100 -0.073 0.000 0.944 1124 R CB 1.428 31.759 30.300 0.051 0.000 1.219 1124 R HN 0.622 nan 8.270 nan 0.000 0.474 1125 M N 1.478 120.970 119.600 -0.180 0.000 2.241 1125 M HA 0.340 4.820 4.480 -0.000 0.000 0.335 1125 M C 0.775 177.233 176.300 0.262 0.000 1.122 1125 M CA 0.123 55.364 55.300 -0.098 0.000 1.164 1125 M CB 0.559 32.806 32.600 -0.589 0.000 1.459 1125 M HN 0.127 nan 8.290 nan 0.000 0.461 1126 R N 0.671 121.304 120.500 0.221 0.000 2.649 1126 R HA 0.497 4.837 4.340 -0.000 0.000 0.270 1126 R C -0.067 176.290 176.300 0.095 0.000 1.105 1126 R CA -0.596 55.609 56.100 0.175 0.000 1.193 1126 R CB 0.318 30.664 30.300 0.076 0.000 1.120 1126 R HN 0.798 nan 8.270 nan 0.000 0.561 1127 A N 3.004 125.493 122.820 -0.552 0.000 2.540 1127 A HA 0.159 4.479 4.320 -0.000 0.000 0.239 1127 A C -1.764 175.685 177.584 -0.225 0.000 1.061 1127 A CA -0.879 50.675 52.037 -0.806 0.000 0.758 1127 A CB -0.451 17.934 19.000 -1.026 0.000 0.991 1127 A HN 0.466 nan 8.150 nan 0.000 0.502 1128 P HA 0.167 nan 4.420 nan 0.000 0.274 1128 P C -0.372 176.761 177.300 -0.277 0.000 1.256 1128 P CA -0.247 62.620 63.100 -0.389 0.000 0.795 1128 P CB 0.621 31.846 31.700 -0.792 0.000 1.038 1129 D N -0.792 119.421 120.400 -0.310 0.000 2.263 1129 D HA -0.131 4.509 4.640 -0.000 0.000 0.208 1129 D C 0.615 176.554 176.300 -0.602 0.000 0.971 1129 D CA 1.777 55.493 54.000 -0.474 0.000 0.867 1129 D CB -0.454 39.945 40.800 -0.670 0.000 0.929 1129 D HN 0.466 nan 8.370 nan 0.000 0.492 1130 Y N -1.119 119.084 120.300 -0.161 0.000 2.641 1130 Y HA 0.265 4.815 4.550 -0.000 0.000 0.248 1130 Y C 1.083 177.036 175.900 0.088 0.000 1.170 1130 Y CA -0.457 57.597 58.100 -0.077 0.000 1.201 1130 Y CB -0.091 38.187 38.460 -0.303 0.000 1.232 1130 Y HN -0.254 nan 8.280 nan 0.000 0.537 1131 T N 0.966 115.578 114.554 0.097 0.000 2.698 1131 T HA 0.346 4.696 4.350 -0.000 0.000 0.295 1131 T C 0.566 175.206 174.700 -0.101 0.000 1.007 1131 T CA 0.253 62.284 62.100 -0.114 0.000 0.980 1131 T CB 0.584 69.325 68.868 -0.212 0.000 1.036 1131 T HN 0.365 nan 8.240 nan 0.000 0.526 1132 T N -0.128 114.306 114.554 -0.199 0.000 2.924 1132 T HA 0.531 4.881 4.350 -0.000 0.000 0.291 1132 T C -2.151 172.517 174.700 -0.053 0.000 1.045 1132 T CA -1.746 60.305 62.100 -0.082 0.000 1.015 1132 T CB 1.366 70.192 68.868 -0.070 0.000 1.103 1132 T HN 0.289 nan 8.240 nan 0.000 0.496 1133 P HA -0.133 nan 4.420 nan 0.000 0.216 1133 P C 1.052 178.376 177.300 0.039 0.000 1.154 1133 P CA 1.326 64.449 63.100 0.039 0.000 0.865 1133 P CB 0.076 31.796 31.700 0.033 0.000 0.789 1134 E N -1.550 118.656 120.200 0.010 0.000 2.072 1134 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 1134 E C 1.956 178.556 176.600 0.001 0.000 0.985 1134 E CA 1.084 57.500 56.400 0.026 0.000 0.801 1134 E CB -0.924 28.799 29.700 0.038 0.000 0.750 1134 E HN 0.107 nan 8.360 nan 0.000 0.452 1135 M N -0.381 119.158 119.600 -0.102 0.000 2.117 1135 M HA -0.124 4.356 4.480 -0.000 0.000 0.262 1135 M C 1.925 178.136 176.300 -0.149 0.000 1.065 1135 M CA 1.374 56.548 55.300 -0.210 0.000 1.114 1135 M CB -0.404 31.824 32.600 -0.620 0.000 1.361 1135 M HN 0.209 nan 8.290 nan 0.000 0.408 1136 Y N 0.025 120.196 120.300 -0.215 0.000 2.293 1136 Y HA -0.228 4.322 4.550 -0.000 0.000 0.291 1136 Y C 2.369 178.184 175.900 -0.141 0.000 1.137 1136 Y CA 2.053 60.060 58.100 -0.154 0.000 1.202 1136 Y CB -0.585 37.825 38.460 -0.084 0.000 0.990 1136 Y HN 0.384 nan 8.280 nan 0.000 0.537 1137 Q N -0.329 119.361 119.800 -0.184 0.000 2.119 1137 Q HA -0.116 4.224 4.340 -0.000 0.000 0.201 1137 Q C 2.081 177.910 176.000 -0.286 0.000 0.972 1137 Q CA 2.428 58.083 55.803 -0.248 0.000 0.847 1137 Q CB -0.643 28.033 28.738 -0.103 0.000 0.903 1137 Q HN 0.403 nan 8.270 nan 0.000 0.433 1138 T N 0.350 114.780 114.554 -0.206 0.000 2.788 1138 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 1138 T C 1.691 176.181 174.700 -0.350 0.000 1.044 1138 T CA 1.525 63.513 62.100 -0.187 0.000 1.139 1138 T CB -0.172 68.698 68.868 0.004 0.000 0.867 1138 T HN 0.297 nan 8.240 nan 0.000 0.454 1139 M N 0.396 119.687 119.600 -0.516 0.000 2.086 1139 M HA -0.026 4.454 4.480 -0.000 0.000 0.261 1139 M C 2.180 177.716 176.300 -1.274 0.000 1.067 1139 M CA 1.615 56.319 55.300 -0.994 0.000 1.116 1139 M CB -0.560 31.435 32.600 -1.009 0.000 1.348 1139 M HN 0.190 nan 8.290 nan 0.000 0.407 1140 L N -0.152 120.562 121.223 -0.849 0.000 2.042 1140 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 1140 L C 2.038 178.728 176.870 -0.300 0.000 1.076 1140 L CA 1.083 55.640 54.840 -0.472 0.000 0.749 1140 L CB -0.926 40.901 42.059 -0.386 0.000 0.893 1140 L HN 0.303 nan 8.230 nan 0.000 0.432 1141 D N -0.382 119.845 120.400 -0.287 0.000 2.133 1141 D HA -0.192 4.448 4.640 -0.000 0.000 0.195 1141 D C 2.194 178.419 176.300 -0.126 0.000 0.997 1141 D CA 1.437 55.344 54.000 -0.155 0.000 0.840 1141 D CB -0.345 40.351 40.800 -0.174 0.000 0.947 1141 D HN 0.406 nan 8.370 nan 0.000 0.452 1142 C N -0.058 119.074 119.300 -0.281 0.000 2.448 1142 C HA -0.070 4.390 4.460 -0.000 0.000 0.280 1142 C C 1.645 176.557 174.990 -0.129 0.000 1.398 1142 C CA -0.369 58.517 59.018 -0.221 0.000 1.774 1142 C CB -0.898 26.649 27.740 -0.322 0.000 1.888 1142 C HN 0.423 nan 8.230 nan 0.000 0.519 1143 W N 0.526 121.655 121.300 -0.286 0.000 3.325 1143 W HA 0.267 4.927 4.660 -0.000 0.000 0.370 1143 W C 1.080 177.621 176.519 0.036 0.000 1.169 1143 W CA -0.680 56.326 57.345 -0.564 0.000 1.874 1143 W CB -1.576 27.367 29.460 -0.862 0.000 1.076 1143 W HN 0.439 nan 8.180 nan 0.000 0.684 1144 H N 0.076 119.288 119.070 0.236 0.000 2.972 1144 H HA 0.030 4.586 4.556 -0.000 0.000 0.343 1144 H C 1.507 177.038 175.328 0.337 0.000 1.054 1144 H CA 1.681 57.858 56.048 0.216 0.000 1.412 1144 H CB 1.167 30.997 29.762 0.114 0.000 1.385 1144 H HN 0.203 nan 8.280 nan 0.000 0.600 1145 G N 4.346 113.263 108.800 0.194 0.000 2.443 1145 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.219 1145 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.219 1145 G C 0.265 175.359 174.900 0.324 0.000 1.131 1145 G CA 0.166 45.415 45.100 0.249 0.000 0.775 1145 G HN 0.537 nan 8.290 nan 0.000 0.547 1146 E N 0.506 121.079 120.200 0.622 0.000 2.130 1146 E HA 0.211 4.561 4.350 -0.000 0.000 0.284 1146 E C -1.625 175.069 176.600 0.156 0.000 1.018 1146 E CA -2.240 54.338 56.400 0.296 0.000 0.817 1146 E CB 1.768 31.574 29.700 0.176 0.000 1.078 1146 E HN 0.012 nan 8.360 nan 0.000 0.396 1147 P HA -0.227 nan 4.420 nan 0.000 0.215 1147 P C 1.369 178.676 177.300 0.012 0.000 1.163 1147 P CA 1.820 64.967 63.100 0.077 0.000 0.894 1147 P CB 0.186 31.917 31.700 0.052 0.000 0.791 1148 S N -1.776 113.912 115.700 -0.020 0.000 2.500 1148 S HA -0.132 4.338 4.470 -0.000 0.000 0.239 1148 S C 1.609 176.133 174.600 -0.127 0.000 0.989 1148 S CA 0.805 58.972 58.200 -0.056 0.000 0.951 1148 S CB -0.868 62.307 63.200 -0.041 0.000 0.759 1148 S HN 0.100 nan 8.310 nan 0.000 0.523 1149 Q N 0.680 120.337 119.800 -0.239 0.000 2.392 1149 Q HA 0.299 4.639 4.340 -0.000 0.000 0.203 1149 Q C 0.288 176.114 176.000 -0.290 0.000 0.917 1149 Q CA 0.222 55.756 55.803 -0.447 0.000 0.939 1149 Q CB 0.066 28.031 28.738 -1.289 0.000 1.063 1149 Q HN 0.631 nan 8.270 nan 0.000 0.516 1150 R N 1.826 122.250 120.500 -0.126 0.000 2.531 1150 R HA 0.238 4.578 4.340 -0.000 0.000 0.273 1150 R C -2.020 174.222 176.300 -0.097 0.000 1.070 1150 R CA -1.510 54.563 56.100 -0.046 0.000 1.112 1150 R CB 0.047 30.369 30.300 0.036 0.000 1.049 1150 R HN 0.009 nan 8.270 nan 0.000 0.508 1151 P HA -0.024 nan 4.420 nan 0.000 0.274 1151 P C -0.485 176.705 177.300 -0.183 0.000 1.264 1151 P CA -0.157 62.864 63.100 -0.132 0.000 0.795 1151 P CB 0.458 32.080 31.700 -0.131 0.000 1.064 1152 T N -3.675 110.783 114.554 -0.161 0.000 2.918 1152 T HA 0.367 4.717 4.350 -0.000 0.000 0.286 1152 T C 0.992 175.579 174.700 -0.187 0.000 1.026 1152 T CA -0.506 61.483 62.100 -0.185 0.000 1.031 1152 T CB 0.342 69.173 68.868 -0.062 0.000 1.046 1152 T HN 0.053 nan 8.240 nan 0.000 0.479 1153 F N 1.178 121.093 119.950 -0.059 0.000 2.192 1153 F HA -0.069 4.458 4.527 -0.000 0.000 0.301 1153 F C 2.938 178.705 175.800 -0.054 0.000 1.079 1153 F CA 1.385 59.318 58.000 -0.112 0.000 1.303 1153 F CB -0.973 37.957 39.000 -0.117 0.000 1.024 1153 F HN 0.590 nan 8.300 nan 0.000 0.494 1154 S N -0.310 115.476 115.700 0.144 0.000 2.348 1154 S HA -0.192 4.278 4.470 -0.000 0.000 0.221 1154 S C 1.924 176.580 174.600 0.093 0.000 1.033 1154 S CA 1.478 59.745 58.200 0.111 0.000 1.010 1154 S CB -0.360 62.890 63.200 0.083 0.000 0.891 1154 S HN 0.462 nan 8.310 nan 0.000 0.442 1155 E N 1.085 121.317 120.200 0.053 0.000 2.085 1155 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 1155 E C 2.085 178.737 176.600 0.086 0.000 0.994 1155 E CA 0.966 57.394 56.400 0.047 0.000 0.801 1155 E CB -0.359 29.338 29.700 -0.005 0.000 0.743 1155 E HN 0.385 nan 8.360 nan 0.000 0.453 1156 L N 0.610 121.869 121.223 0.060 0.000 2.012 1156 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 1156 L C 2.515 179.499 176.870 0.189 0.000 1.073 1156 L CA 0.799 55.701 54.840 0.103 0.000 0.748 1156 L CB -0.381 41.659 42.059 -0.032 0.000 0.891 1156 L HN 0.062 nan 8.230 nan 0.000 0.431 1157 V N -0.271 119.760 119.914 0.194 0.000 2.392 1157 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 1157 V C 2.449 178.728 176.094 0.309 0.000 1.059 1157 V CA 1.945 64.430 62.300 0.309 0.000 1.051 1157 V CB -0.371 31.590 31.823 0.232 0.000 0.658 1157 V HN 0.488 nan 8.190 nan 0.000 0.455 1158 E N -0.679 119.637 120.200 0.194 0.000 2.046 1158 E HA -0.246 4.104 4.350 -0.000 0.000 0.190 1158 E C 2.220 178.874 176.600 0.090 0.000 0.982 1158 E CA 1.251 57.732 56.400 0.135 0.000 0.800 1158 E CB -0.093 29.673 29.700 0.109 0.000 0.756 1158 E HN 0.781 nan 8.360 nan 0.000 0.449 1159 H N 0.526 119.613 119.070 0.028 0.000 2.321 1159 H HA -0.060 4.496 4.556 -0.000 0.000 0.300 1159 H C 2.040 177.353 175.328 -0.025 0.000 1.087 1159 H CA 1.707 57.755 56.048 0.000 0.000 1.319 1159 H CB -0.229 29.537 29.762 0.008 0.000 1.379 1159 H HN 0.109 nan 8.280 nan 0.000 0.501 1160 L N -0.576 120.593 121.223 -0.090 0.000 2.046 1160 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 1160 L C 2.851 179.452 176.870 -0.448 0.000 1.077 1160 L CA 1.160 55.897 54.840 -0.172 0.000 0.747 1160 L CB -0.835 41.309 42.059 0.142 0.000 0.896 1160 L HN 0.512 nan 8.230 nan 0.000 0.432 1161 G N -0.159 108.288 108.800 -0.589 0.000 2.440 1161 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 1161 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 1161 G C 1.308 175.938 174.900 -0.452 0.000 1.154 1161 G CA 1.222 45.784 45.100 -0.897 0.000 0.767 1161 G HN 0.468 nan 8.290 nan 0.000 0.552 1162 N N 0.053 118.582 118.700 -0.286 0.000 2.069 1162 N HA -0.050 4.690 4.740 -0.000 0.000 0.191 1162 N C 2.235 177.612 175.510 -0.222 0.000 1.031 1162 N CA 0.839 53.768 53.050 -0.201 0.000 0.852 1162 N CB -0.207 38.193 38.487 -0.144 0.000 1.018 1162 N HN 0.235 nan 8.380 nan 0.000 0.423 1163 L N 0.528 121.571 121.223 -0.301 0.000 2.079 1163 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 1163 L C 2.365 179.136 176.870 -0.165 0.000 1.081 1163 L CA 0.597 55.299 54.840 -0.230 0.000 0.752 1163 L CB -0.416 41.483 42.059 -0.266 0.000 0.896 1163 L HN 0.269 nan 8.230 nan 0.000 0.433 1164 L N 0.215 121.300 121.223 -0.231 0.000 1.994 1164 L HA -0.271 4.069 4.340 -0.000 0.000 0.208 1164 L C 2.626 179.418 176.870 -0.130 0.000 1.071 1164 L CA 1.970 56.698 54.840 -0.186 0.000 0.745 1164 L CB -0.794 41.079 42.059 -0.310 0.000 0.892 1164 L HN 0.317 nan 8.230 nan 0.000 0.431 1165 Q N -0.964 118.745 119.800 -0.151 0.000 2.224 1165 Q HA -0.150 4.190 4.340 -0.000 0.000 0.203 1165 Q C 1.902 177.864 176.000 -0.065 0.000 0.970 1165 Q CA 1.449 57.196 55.803 -0.094 0.000 0.865 1165 Q CB -0.132 28.550 28.738 -0.093 0.000 0.922 1165 Q HN 0.624 nan 8.270 nan 0.000 0.445 1166 A N 0.576 123.354 122.820 -0.071 0.000 2.016 1166 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 1166 A C 1.742 179.317 177.584 -0.015 0.000 1.162 1166 A CA 1.218 53.228 52.037 -0.044 0.000 0.662 1166 A CB -0.548 18.421 19.000 -0.052 0.000 0.812 1166 A HN 0.546 nan 8.150 nan 0.000 0.450 1167 N N 0.443 119.141 118.700 -0.003 0.000 2.142 1167 N HA -0.056 4.684 4.740 -0.000 0.000 0.186 1167 N C 1.782 177.339 175.510 0.078 0.000 1.023 1167 N CA 1.684 54.774 53.050 0.067 0.000 0.852 1167 N CB -0.322 38.201 38.487 0.060 0.000 0.998 1167 N HN 0.310 nan 8.380 nan 0.000 0.424 1168 A N 0.576 123.409 122.820 0.022 0.000 1.873 1168 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 1168 A C 2.150 179.728 177.584 -0.010 0.000 1.193 1168 A CA 1.961 54.003 52.037 0.009 0.000 0.629 1168 A CB -1.171 17.819 19.000 -0.016 0.000 0.826 1168 A HN 0.603 nan 8.150 nan 0.000 0.447 1169 Q N -1.522 118.264 119.800 -0.023 0.000 1.985 1169 Q HA -0.180 4.160 4.340 -0.000 0.000 0.207 1169 Q C 1.055 177.010 176.000 -0.076 0.000 0.996 1169 Q CA 2.033 57.811 55.803 -0.043 0.000 0.851 1169 Q CB -0.018 28.697 28.738 -0.038 0.000 0.921 1169 Q HN 0.784 nan 8.270 nan 0.000 0.418 1170 Q N 0.000 119.751 119.800 -0.082 0.000 2.315 1170 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 1170 Q CA 0.000 55.689 55.803 -0.190 0.000 1.022 1170 Q CB 0.000 28.631 28.738 -0.178 0.000 1.108 1170 Q HN 0.000 nan 8.270 nan 0.000 0.481