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 1n10_1_A DATA FIRST_RESID 1003 DATA SEQUENCE PKVPPGPNIT ATYGDKWLDA KSTWYGXXXX XXXXXXGGAc GYKDVDKPPF DATA SEQUENCE SGMTGCGNTP IFKSGRGcGS cFEIKcTKPE AcSGEPVVVH ITDDNEEPIA DATA SEQUENCE PYHFDLSGHA FGAMAKKGDE QKLRSAGELE LQFRRVKcKY PEGTKVTFHV DATA SEQUENCE EKGSNPNYLA LLVKYVNGDG DVVAVDIKEK GKDKWIELKE SWGAIWRIDT DATA SEQUENCE PDKLTGPFTV RYTTEGGTKT EAEDVIPEGW KADTSYES 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 1003 P HA 0.000 nan 4.420 nan 0.000 0.216 1003 P C 0.000 177.298 177.300 -0.003 0.000 1.155 1003 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 1003 P CB 0.000 31.698 31.700 -0.003 0.000 0.726 1004 K N -0.782 119.616 120.400 -0.003 0.000 3.404 1004 K HA -0.108 4.212 4.320 -0.001 0.000 0.197 1004 K C 0.343 176.941 176.600 -0.003 0.000 1.428 1004 K CA 1.672 57.957 56.287 -0.003 0.000 0.493 1004 K CB -2.357 30.141 32.500 -0.003 0.000 0.716 1004 K HN 0.275 nan 8.250 nan 0.000 0.696 1005 V N 0.128 120.040 119.914 -0.003 0.000 2.513 1005 V HA 0.569 4.688 4.120 -0.001 0.000 0.299 1005 V C -2.239 173.853 176.094 -0.004 0.000 1.035 1005 V CA -2.028 60.270 62.300 -0.003 0.000 0.889 1005 V CB 1.145 32.966 31.823 -0.003 0.000 0.988 1005 V HN 0.461 nan 8.190 nan 0.000 0.440 1006 P HA 0.164 nan 4.420 nan 0.000 0.258 1006 P C -2.235 175.062 177.300 -0.005 0.000 1.172 1006 P CA -0.129 62.968 63.100 -0.004 0.000 0.762 1006 P CB -0.327 31.371 31.700 -0.004 0.000 0.764 1007 P HA 0.102 nan 4.420 nan 0.000 0.267 1007 P C 0.510 177.806 177.300 -0.007 0.000 1.205 1007 P CA 0.014 63.110 63.100 -0.006 0.000 0.765 1007 P CB 0.791 32.487 31.700 -0.007 0.000 0.828 1008 G N 4.321 113.117 108.800 -0.007 0.000 2.684 1008 G HA2 0.261 4.220 3.960 -0.001 0.000 0.255 1008 G HA3 0.261 4.220 3.960 -0.001 0.000 0.255 1008 G C -1.994 172.901 174.900 -0.010 0.000 1.219 1008 G CA -0.881 44.214 45.100 -0.008 0.000 0.901 1008 G HN 0.480 nan 8.290 nan 0.000 0.548 1009 P HA -0.033 nan 4.420 nan 0.000 0.263 1009 P C -0.317 176.974 177.300 -0.014 0.000 1.175 1009 P CA -0.199 62.894 63.100 -0.013 0.000 0.761 1009 P CB 0.380 32.071 31.700 -0.015 0.000 0.794 1010 N N 2.513 121.204 118.700 -0.015 0.000 2.357 1010 N HA -0.009 4.730 4.740 -0.001 0.000 0.257 1010 N C 0.350 175.848 175.510 -0.019 0.000 1.250 1010 N CA 0.223 53.263 53.050 -0.016 0.000 0.862 1010 N CB 0.083 38.561 38.487 -0.016 0.000 1.066 1010 N HN 0.294 nan 8.380 nan 0.000 0.468 1011 I N 2.322 122.881 120.570 -0.019 0.000 2.349 1011 I HA 0.025 4.194 4.170 -0.001 0.000 0.302 1011 I C 1.091 177.193 176.117 -0.026 0.000 1.180 1011 I CA 0.105 61.392 61.300 -0.021 0.000 1.405 1011 I CB -1.828 36.161 38.000 -0.019 0.000 1.474 1011 I HN 0.414 nan 8.210 nan 0.000 0.632 1012 T N 2.046 116.582 114.554 -0.031 0.000 2.906 1012 T HA 0.805 5.154 4.350 -0.001 0.000 0.295 1012 T C -0.016 174.653 174.700 -0.051 0.000 1.075 1012 T CA -0.901 61.176 62.100 -0.038 0.000 1.005 1012 T CB 2.229 71.076 68.868 -0.035 0.000 1.136 1012 T HN 0.488 nan 8.240 nan 0.000 0.498 1013 A N 1.809 124.591 122.820 -0.064 0.000 2.498 1013 A HA 0.601 4.920 4.320 -0.001 0.000 0.239 1013 A C 0.858 178.370 177.584 -0.119 0.000 1.068 1013 A CA 0.329 52.310 52.037 -0.093 0.000 0.766 1013 A CB -0.754 18.184 19.000 -0.103 0.000 1.003 1013 A HN 1.742 nan 8.150 nan 0.000 0.497 1014 T N -0.771 113.692 114.554 -0.152 0.000 2.769 1014 T HA 0.551 4.900 4.350 -0.001 0.000 0.306 1014 T C -0.777 173.788 174.700 -0.224 0.000 1.400 1014 T CA -0.677 61.326 62.100 -0.161 0.000 1.007 1014 T CB 0.308 69.137 68.868 -0.064 0.000 1.392 1014 T HN 0.404 nan 8.240 nan 0.000 0.500 1015 Y N 0.907 121.172 120.300 -0.057 0.000 2.326 1015 Y HA 0.521 5.070 4.550 -0.001 0.000 0.333 1015 Y C 1.803 177.652 175.900 -0.084 0.000 1.240 1015 Y CA 1.013 59.074 58.100 -0.065 0.000 1.365 1015 Y CB 0.356 38.764 38.460 -0.087 0.000 1.289 1015 Y HN 1.136 nan 8.280 nan 0.000 0.548 1016 G N 0.832 109.670 108.800 0.064 0.000 2.332 1016 G HA2 0.031 3.990 3.960 -0.001 0.000 0.311 1016 G HA3 0.031 3.990 3.960 -0.001 0.000 0.311 1016 G C 0.165 175.016 174.900 -0.082 0.000 1.392 1016 G CA 0.622 45.705 45.100 -0.028 0.000 1.110 1016 G HN 0.850 nan 8.290 nan 0.000 0.594 1017 D N -2.456 117.855 120.400 -0.148 0.000 2.601 1017 D HA 0.002 4.641 4.640 -0.001 0.000 0.350 1017 D C 0.218 176.337 176.300 -0.301 0.000 1.386 1017 D CA -0.199 53.670 54.000 -0.219 0.000 0.929 1017 D CB -0.453 40.268 40.800 -0.133 0.000 1.456 1017 D HN 0.603 nan 8.370 nan 0.000 0.430 1018 K N 0.056 120.301 120.400 -0.258 0.000 2.123 1018 K HA 0.576 4.896 4.320 -0.001 0.000 0.248 1018 K C -0.888 175.520 176.600 -0.320 0.000 0.969 1018 K CA -0.821 55.343 56.287 -0.204 0.000 0.882 1018 K CB 1.218 33.682 32.500 -0.061 0.000 1.080 1018 K HN -0.175 nan 8.250 nan 0.000 0.441 1019 W N 1.815 123.054 121.300 -0.102 0.000 2.315 1019 W HA 0.312 4.971 4.660 -0.001 0.000 0.316 1019 W C -0.679 175.713 176.519 -0.212 0.000 1.211 1019 W CA -0.682 56.566 57.345 -0.161 0.000 1.201 1019 W CB 0.561 29.961 29.460 -0.099 0.000 1.184 1019 W HN 0.261 nan 8.180 nan 0.000 0.544 1020 L N 3.076 124.173 121.223 -0.211 0.000 2.322 1020 L HA 0.440 4.779 4.340 -0.001 0.000 0.269 1020 L C -0.255 176.616 176.870 0.000 0.000 1.012 1020 L CA -0.898 53.764 54.840 -0.298 0.000 0.815 1020 L CB 0.955 42.456 42.059 -0.930 0.000 1.295 1020 L HN 0.263 nan 8.230 nan 0.000 0.438 1021 D N 1.091 121.656 120.400 0.275 0.000 2.192 1021 D HA 0.751 5.390 4.640 -0.001 0.000 0.246 1021 D C -0.666 175.990 176.300 0.593 0.000 1.042 1021 D CA -0.130 54.096 54.000 0.377 0.000 0.847 1021 D CB 1.986 42.926 40.800 0.232 0.000 1.186 1021 D HN 0.657 nan 8.370 nan 0.000 0.461 1022 A N 1.513 124.621 122.820 0.480 0.000 2.572 1022 A HA 0.568 4.887 4.320 -0.001 0.000 0.295 1022 A C -0.511 177.208 177.584 0.225 0.000 1.072 1022 A CA -0.839 51.443 52.037 0.408 0.000 0.691 1022 A CB 1.616 20.854 19.000 0.397 0.000 1.291 1022 A HN 0.289 nan 8.150 nan 0.000 0.404 1023 K N 0.192 120.681 120.400 0.147 0.000 2.126 1023 K HA 0.651 4.970 4.320 -0.001 0.000 0.257 1023 K C -0.110 176.555 176.600 0.110 0.000 1.007 1023 K CA 0.330 56.633 56.287 0.026 0.000 0.928 1023 K CB 1.011 33.405 32.500 -0.176 0.000 1.013 1023 K HN 0.794 nan 8.250 nan 0.000 0.473 1024 S N 0.826 116.602 115.700 0.127 0.000 2.546 1024 S HA 0.646 5.115 4.470 -0.001 0.000 0.272 1024 S C -1.440 173.426 174.600 0.444 0.000 1.140 1024 S CA -0.516 57.863 58.200 0.299 0.000 0.920 1024 S CB 0.758 64.061 63.200 0.173 0.000 1.083 1024 S HN 0.752 nan 8.310 nan 0.000 0.476 1025 T N 1.285 116.150 114.554 0.518 0.000 2.812 1025 T HA 0.827 5.177 4.350 -0.001 0.000 0.294 1025 T C -1.027 173.866 174.700 0.321 0.000 1.159 1025 T CA -0.902 61.428 62.100 0.384 0.000 1.008 1025 T CB 1.307 70.320 68.868 0.242 0.000 1.289 1025 T HN 0.884 nan 8.240 nan 0.000 0.514 1026 W N 0.143 121.341 121.300 -0.169 0.000 3.032 1026 W HA 0.744 5.403 4.660 -0.001 0.000 0.341 1026 W C -2.315 174.129 176.519 -0.125 0.000 1.202 1026 W CA -1.710 55.478 57.345 -0.261 0.000 1.132 1026 W CB 0.559 29.779 29.460 -0.401 0.000 1.465 1026 W HN 0.865 nan 8.180 nan 0.000 0.576 1027 Y N 0.152 120.616 120.300 0.273 0.000 2.553 1027 Y HA 0.894 5.443 4.550 -0.001 0.000 0.347 1027 Y C -0.251 175.836 175.900 0.311 0.000 1.019 1027 Y CA -1.652 56.517 58.100 0.116 0.000 1.032 1027 Y CB 1.388 39.877 38.460 0.048 0.000 1.284 1027 Y HN 0.802 nan 8.280 nan 0.000 0.466 1040 G N -0.561 108.244 108.800 0.008 0.000 2.562 1040 G HA2 0.591 4.550 3.960 -0.001 0.000 0.275 1040 G HA3 0.591 4.550 3.960 -0.001 0.000 0.275 1040 G C 1.323 176.216 174.900 -0.012 0.000 1.196 1040 G CA 0.357 45.449 45.100 -0.015 0.000 0.908 1040 G HN 0.945 nan 8.290 nan 0.000 0.524 1041 A N -0.710 122.107 122.820 -0.005 0.000 2.076 1041 A HA -0.106 4.213 4.320 -0.001 0.000 0.220 1041 A C 2.172 179.795 177.584 0.065 0.000 1.160 1041 A CA 1.782 53.865 52.037 0.077 0.000 0.653 1041 A CB -0.596 18.456 19.000 0.086 0.000 0.801 1041 A HN 0.581 nan 8.150 nan 0.000 0.455 1042 c N -1.375 117.187 118.600 -0.063 0.000 2.576 1042 c HA 0.410 4.979 4.570 -0.001 0.000 0.267 1042 c C 2.026 175.858 174.090 -0.430 0.000 1.364 1042 c CA 0.146 56.278 56.329 -0.329 0.000 1.723 1042 c CB -1.269 40.838 42.510 -0.672 0.000 1.778 1042 c HN 1.065 nan 8.230 nan 0.000 0.572 1043 G N -0.182 108.503 108.800 -0.193 0.000 2.153 1043 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.252 1043 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.252 1043 G C -0.188 174.718 174.900 0.009 0.000 0.994 1043 G CA 0.004 45.059 45.100 -0.076 0.000 0.698 1043 G HN 0.493 nan 8.290 nan 0.000 0.521 1044 Y N 0.126 120.463 120.300 0.061 0.000 2.304 1044 Y HA 0.534 5.083 4.550 -0.001 0.000 0.327 1044 Y C 1.553 177.497 175.900 0.073 0.000 1.209 1044 Y CA -0.570 57.587 58.100 0.095 0.000 1.299 1044 Y CB 0.859 39.488 38.460 0.281 0.000 1.249 1044 Y HN 0.132 nan 8.280 nan 0.000 0.519 1045 K N 0.255 120.784 120.400 0.215 0.000 2.253 1045 K HA 0.085 4.404 4.320 -0.001 0.000 0.225 1045 K C -0.471 176.205 176.600 0.126 0.000 1.037 1045 K CA 0.210 56.568 56.287 0.118 0.000 0.928 1045 K CB 0.151 32.673 32.500 0.035 0.000 1.057 1045 K HN 0.440 nan 8.250 nan 0.000 0.462 1046 D N 2.172 122.628 120.400 0.094 0.000 2.558 1046 D HA 0.054 4.693 4.640 -0.001 0.000 0.221 1046 D C 0.542 176.911 176.300 0.116 0.000 1.143 1046 D CA 0.117 54.164 54.000 0.078 0.000 1.010 1046 D CB 1.018 41.835 40.800 0.027 0.000 1.068 1046 D HN -0.099 nan 8.370 nan 0.000 0.511 1047 V N 1.565 121.596 119.914 0.195 0.000 2.970 1047 V HA -0.162 3.957 4.120 -0.001 0.000 0.260 1047 V C 1.803 178.023 176.094 0.210 0.000 1.100 1047 V CA 1.325 63.803 62.300 0.297 0.000 1.122 1047 V CB -0.155 31.857 31.823 0.314 0.000 0.721 1047 V HN 0.475 nan 8.190 nan 0.000 0.483 1048 D N -0.216 120.259 120.400 0.125 0.000 2.234 1048 D HA -0.070 4.569 4.640 -0.001 0.000 0.205 1048 D C 0.885 177.208 176.300 0.038 0.000 0.962 1048 D CA 0.359 54.405 54.000 0.076 0.000 0.855 1048 D CB 0.303 41.131 40.800 0.047 0.000 0.951 1048 D HN 0.387 nan 8.370 nan 0.000 0.500 1049 K N 0.986 121.400 120.400 0.024 0.000 2.109 1049 K HA 0.388 4.707 4.320 -0.001 0.000 0.243 1049 K C -2.531 174.027 176.600 -0.070 0.000 1.006 1049 K CA -1.923 54.349 56.287 -0.026 0.000 0.917 1049 K CB 0.731 33.208 32.500 -0.040 0.000 1.081 1049 K HN -0.166 nan 8.250 nan 0.000 0.468 1050 P HA -0.046 nan 4.420 nan 0.000 0.269 1050 P C -1.944 175.111 177.300 -0.409 0.000 1.217 1050 P CA -0.728 62.251 63.100 -0.203 0.000 0.783 1050 P CB 0.154 31.750 31.700 -0.172 0.000 0.898 1051 P HA -0.015 nan 4.420 nan 0.000 0.235 1051 P C 1.016 178.150 177.300 -0.276 0.000 1.177 1051 P CA 0.987 63.804 63.100 -0.471 0.000 0.785 1051 P CB -0.002 31.308 31.700 -0.651 0.000 0.885 1052 F N 1.535 121.319 119.950 -0.277 0.000 2.084 1052 F HA -0.044 4.482 4.527 -0.002 0.000 0.296 1052 F C 1.450 177.218 175.800 -0.054 0.000 1.111 1052 F CA 0.617 58.439 58.000 -0.297 0.000 1.224 1052 F CB -1.668 37.227 39.000 -0.176 0.000 0.991 1052 F HN -0.115 nan 8.300 nan 0.000 0.471 1053 S N -0.241 115.561 115.700 0.170 0.000 3.783 1053 S HA -0.024 4.445 4.470 -0.001 0.000 0.360 1053 S C 1.347 176.059 174.600 0.186 0.000 1.006 1053 S CA 0.718 58.993 58.200 0.126 0.000 1.115 1053 S CB -1.797 61.464 63.200 0.100 0.000 0.893 1053 S HN 1.166 nan 8.310 nan 0.000 0.475 1054 G N 0.171 109.101 108.800 0.217 0.000 2.267 1054 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.257 1054 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.257 1054 G C 0.221 175.323 174.900 0.337 0.000 0.998 1054 G CA 0.445 45.704 45.100 0.266 0.000 0.620 1054 G HN 0.581 nan 8.290 nan 0.000 0.529 1055 M N 3.124 122.921 119.600 0.329 0.000 3.445 1055 M HA 0.280 4.759 4.480 -0.001 0.000 0.224 1055 M C 0.881 177.334 176.300 0.255 0.000 1.551 1055 M CA 1.128 56.591 55.300 0.271 0.000 1.671 1055 M CB -1.485 31.302 32.600 0.312 0.000 1.159 1055 M HN 0.611 nan 8.290 nan 0.000 0.547 1056 T N -1.748 112.918 114.554 0.187 0.000 2.865 1056 T HA 0.956 5.305 4.350 -0.001 0.000 0.294 1056 T C -0.075 174.715 174.700 0.150 0.000 1.119 1056 T CA -0.785 61.404 62.100 0.148 0.000 1.007 1056 T CB 2.843 71.781 68.868 0.116 0.000 1.225 1056 T HN 0.521 nan 8.240 nan 0.000 0.515 1057 G N -0.753 108.155 108.800 0.179 0.000 2.702 1057 G HA2 0.499 4.458 3.960 -0.001 0.000 0.296 1057 G HA3 0.499 4.458 3.960 -0.001 0.000 0.296 1057 G C -0.945 174.083 174.900 0.213 0.000 1.463 1057 G CA -0.748 44.454 45.100 0.170 0.000 0.890 1057 G HN 1.028 nan 8.290 nan 0.000 0.534 1058 C N 0.509 119.957 119.300 0.248 0.000 2.593 1058 C HA 0.718 5.177 4.460 -0.001 0.000 0.409 1058 C C 1.239 176.193 174.990 -0.059 0.000 1.304 1058 C CA 0.504 59.608 59.018 0.143 0.000 2.007 1058 C CB 0.134 28.003 27.740 0.214 0.000 2.614 1058 C HN 0.968 nan 8.230 nan 0.000 0.585 1059 G N 4.000 112.727 108.800 -0.123 0.000 2.530 1059 G HA2 0.471 4.430 3.960 -0.001 0.000 0.316 1059 G HA3 0.471 4.430 3.960 -0.001 0.000 0.316 1059 G C -0.464 174.309 174.900 -0.211 0.000 1.298 1059 G CA -0.407 44.496 45.100 -0.328 0.000 0.948 1059 G HN 0.858 nan 8.290 nan 0.000 0.486 1060 N N 0.557 119.111 118.700 -0.244 0.000 2.399 1060 N HA 0.025 4.764 4.740 -0.001 0.000 0.250 1060 N C 1.439 176.957 175.510 0.013 0.000 1.272 1060 N CA 0.425 53.418 53.050 -0.095 0.000 0.928 1060 N CB 0.731 39.187 38.487 -0.052 0.000 1.158 1060 N HN 0.444 nan 8.380 nan 0.000 0.463 1061 T N -0.025 114.574 114.554 0.075 0.000 2.731 1061 T HA -0.175 4.174 4.350 -0.001 0.000 0.259 1061 T C -0.789 173.996 174.700 0.141 0.000 1.054 1061 T CA 2.323 64.510 62.100 0.144 0.000 1.158 1061 T CB -1.226 67.721 68.868 0.132 0.000 0.847 1061 T HN 0.726 nan 8.240 nan 0.000 0.470 1062 P HA 0.199 nan 4.420 nan 0.000 0.241 1062 P C 1.421 178.817 177.300 0.161 0.000 1.191 1062 P CA 0.711 63.925 63.100 0.190 0.000 0.771 1062 P CB -0.101 31.790 31.700 0.319 0.000 0.929 1063 I N -2.442 118.172 120.570 0.074 0.000 3.194 1063 I HA -0.000 4.169 4.170 -0.001 0.000 0.271 1063 I C 2.203 178.364 176.117 0.072 0.000 1.150 1063 I CA 0.265 61.572 61.300 0.011 0.000 1.440 1063 I CB -0.339 37.458 38.000 -0.338 0.000 1.276 1063 I HN -0.234 nan 8.210 nan 0.000 0.457 1064 F N 2.771 122.667 119.950 -0.090 0.000 2.146 1064 F HA -0.077 4.449 4.527 -0.002 0.000 0.298 1064 F C 1.028 176.739 175.800 -0.149 0.000 1.096 1064 F CA 1.073 58.998 58.000 -0.125 0.000 1.275 1064 F CB -0.094 38.812 39.000 -0.156 0.000 1.008 1064 F HN -0.106 nan 8.300 nan 0.000 0.480 1065 K N 1.024 121.387 120.400 -0.062 0.000 3.278 1065 K HA -0.256 4.063 4.320 -0.001 0.000 0.270 1065 K C 0.618 177.006 176.600 -0.354 0.000 0.955 1065 K CA 0.498 56.707 56.287 -0.130 0.000 0.723 1065 K CB -2.037 30.408 32.500 -0.092 0.000 1.382 1065 K HN 0.419 nan 8.250 nan 0.000 0.461 1066 S N -2.505 112.961 115.700 -0.391 0.000 3.257 1066 S HA -0.278 4.191 4.470 -0.001 0.000 0.300 1066 S C 1.205 175.021 174.600 -1.306 0.000 1.275 1066 S CA 2.032 59.713 58.200 -0.865 0.000 1.023 1066 S CB -1.120 61.893 63.200 -0.312 0.000 1.180 1066 S HN 1.288 nan 8.310 nan 0.000 0.660 1067 G N 0.207 107.933 108.800 -1.790 0.000 2.352 1067 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.204 1067 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.204 1067 G C 0.482 174.873 174.900 -0.847 0.000 1.004 1067 G CA 0.777 44.961 45.100 -1.527 0.000 0.648 1067 G HN 0.539 nan 8.290 nan 0.000 0.491 1068 R N 1.645 121.787 120.500 -0.597 0.000 2.211 1068 R HA 0.081 4.420 4.340 -0.001 0.000 0.240 1068 R C 2.131 178.289 176.300 -0.237 0.000 1.144 1068 R CA 2.302 58.226 56.100 -0.293 0.000 0.992 1068 R CB -0.658 29.535 30.300 -0.178 0.000 0.869 1068 R HN 0.601 nan 8.270 nan 0.000 0.462 1069 G N -2.109 106.470 108.800 -0.368 0.000 3.609 1069 G HA2 0.033 3.992 3.960 -0.001 0.000 0.280 1069 G HA3 0.033 3.992 3.960 -0.001 0.000 0.280 1069 G C 0.747 175.555 174.900 -0.154 0.000 1.155 1069 G CA -0.184 44.800 45.100 -0.194 0.000 0.876 1069 G HN 0.315 nan 8.290 nan 0.000 0.535 1070 c N -0.252 118.222 118.600 -0.210 0.000 2.435 1070 c HA 0.084 4.653 4.570 -0.001 0.000 0.279 1070 c C 2.960 177.177 174.090 0.211 0.000 1.321 1070 c CA 1.221 57.516 56.329 -0.058 0.000 1.752 1070 c CB -0.497 41.903 42.510 -0.183 0.000 1.959 1070 c HN 0.516 nan 8.230 nan 0.000 0.500 1071 G N -0.320 108.600 108.800 0.201 0.000 2.623 1071 G HA2 0.002 3.961 3.960 -0.001 0.000 0.214 1071 G HA3 0.002 3.961 3.960 -0.001 0.000 0.214 1071 G C 0.701 175.733 174.900 0.220 0.000 1.138 1071 G CA 0.204 45.493 45.100 0.315 0.000 0.794 1071 G HN 0.483 nan 8.290 nan 0.000 0.535 1072 S N -0.313 115.438 115.700 0.085 0.000 2.952 1072 S HA -0.014 4.455 4.470 -0.001 0.000 0.351 1072 S C 0.170 174.718 174.600 -0.088 0.000 1.211 1072 S CA 0.112 58.274 58.200 -0.063 0.000 1.002 1072 S CB -0.123 63.132 63.200 0.093 0.000 0.702 1072 S HN 0.338 nan 8.310 nan 0.000 0.495 1073 c N 4.631 122.994 118.600 -0.394 0.000 2.455 1073 c HA 0.792 5.361 4.570 -0.001 0.000 0.320 1073 c C -0.442 173.303 174.090 -0.575 0.000 1.226 1073 c CA -0.690 55.415 56.329 -0.374 0.000 1.569 1073 c CB 0.199 42.451 42.510 -0.430 0.000 2.200 1073 c HN 0.788 nan 8.230 nan 0.000 0.491 1074 F N 1.029 120.923 119.950 -0.093 0.000 2.588 1074 F HA 0.446 4.972 4.527 -0.002 0.000 0.314 1074 F C 0.275 176.033 175.800 -0.070 0.000 1.069 1074 F CA -0.696 57.283 58.000 -0.034 0.000 0.931 1074 F CB 1.168 40.235 39.000 0.112 0.000 1.260 1074 F HN 0.467 nan 8.300 nan 0.000 0.465 1075 E N 3.092 123.373 120.200 0.136 0.000 2.249 1075 E HA 0.585 4.934 4.350 -0.001 0.000 0.280 1075 E C -0.977 175.771 176.600 0.246 0.000 1.016 1075 E CA -0.603 55.873 56.400 0.126 0.000 0.830 1075 E CB 2.061 31.822 29.700 0.102 0.000 1.081 1075 E HN 0.562 nan 8.360 nan 0.000 0.395 1076 I N 0.015 120.671 120.570 0.144 0.000 2.534 1076 I HA 0.485 4.655 4.170 -0.001 0.000 0.288 1076 I C -0.786 175.323 176.117 -0.013 0.000 1.077 1076 I CA -0.980 60.359 61.300 0.064 0.000 1.051 1076 I CB 1.577 39.453 38.000 -0.206 0.000 1.234 1076 I HN 0.368 nan 8.210 nan 0.000 0.425 1077 K N 5.040 125.395 120.400 -0.076 0.000 2.346 1077 K HA 0.897 5.216 4.320 -0.001 0.000 0.238 1077 K C -1.336 175.132 176.600 -0.221 0.000 1.039 1077 K CA -0.759 55.402 56.287 -0.209 0.000 0.861 1077 K CB 2.283 34.534 32.500 -0.414 0.000 1.278 1077 K HN 0.775 nan 8.250 nan 0.000 0.460 1078 c N 0.830 119.298 118.600 -0.221 0.000 3.090 1078 c HA 0.549 5.118 4.570 -0.001 0.000 0.347 1078 c C 0.340 174.329 174.090 -0.168 0.000 1.147 1078 c CA 0.373 56.586 56.329 -0.193 0.000 1.305 1078 c CB 1.058 43.440 42.510 -0.213 0.000 1.692 1078 c HN 1.047 nan 8.230 nan 0.000 0.506 1079 T N 0.931 115.401 114.554 -0.140 0.000 3.041 1079 T HA 0.191 4.540 4.350 -0.001 0.000 0.276 1079 T C 1.212 175.864 174.700 -0.080 0.000 0.948 1079 T CA 0.399 62.431 62.100 -0.114 0.000 0.885 1079 T CB -0.117 68.679 68.868 -0.120 0.000 1.175 1079 T HN 0.853 nan 8.240 nan 0.000 0.529 1080 K N 2.574 122.930 120.400 -0.073 0.000 1.981 1080 K HA 0.027 4.346 4.320 -0.001 0.000 0.227 1080 K C -1.421 175.160 176.600 -0.032 0.000 1.030 1080 K CA 0.931 57.191 56.287 -0.044 0.000 1.042 1080 K CB -1.108 31.373 32.500 -0.033 0.000 0.749 1080 K HN 0.338 nan 8.250 nan 0.000 0.445 1081 P HA -0.009 nan 4.420 nan 0.000 0.274 1081 P C -0.261 177.027 177.300 -0.020 0.000 1.231 1081 P CA 0.174 63.270 63.100 -0.007 0.000 0.790 1081 P CB 1.248 32.960 31.700 0.020 0.000 0.951 1082 E N 2.677 122.869 120.200 -0.013 0.000 2.136 1082 E HA -0.253 4.096 4.350 -0.001 0.000 0.202 1082 E C 1.891 178.476 176.600 -0.024 0.000 1.019 1082 E CA 2.377 58.767 56.400 -0.018 0.000 0.819 1082 E CB -1.107 28.587 29.700 -0.009 0.000 0.739 1082 E HN 0.524 nan 8.360 nan 0.000 0.458 1083 A N -0.310 122.500 122.820 -0.018 0.000 2.070 1083 A HA -0.106 4.213 4.320 -0.001 0.000 0.220 1083 A C 1.270 178.825 177.584 -0.049 0.000 1.159 1083 A CA 0.867 52.890 52.037 -0.024 0.000 0.656 1083 A CB -0.727 18.268 19.000 -0.007 0.000 0.800 1083 A HN 0.375 nan 8.150 nan 0.000 0.453 1084 c N 1.444 120.006 118.600 -0.063 0.000 2.633 1084 c HA 0.237 4.806 4.570 -0.001 0.000 0.415 1084 c C 2.344 176.381 174.090 -0.089 0.000 1.393 1084 c CA 0.396 56.668 56.329 -0.095 0.000 1.700 1084 c CB -0.304 42.139 42.510 -0.111 0.000 2.541 1084 c HN 0.716 nan 8.230 nan 0.000 0.603 1085 S N 2.389 118.031 115.700 -0.097 0.000 2.453 1085 S HA 0.062 4.531 4.470 -0.001 0.000 0.231 1085 S C 1.662 176.203 174.600 -0.097 0.000 1.005 1085 S CA 1.039 59.188 58.200 -0.085 0.000 0.949 1085 S CB -0.354 62.798 63.200 -0.081 0.000 0.774 1085 S HN 1.844 nan 8.310 nan 0.000 0.510 1086 G N 0.663 109.388 108.800 -0.125 0.000 2.179 1086 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.260 1086 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.260 1086 G C -0.203 174.603 174.900 -0.156 0.000 0.977 1086 G CA 0.354 45.364 45.100 -0.150 0.000 0.641 1086 G HN 0.567 nan 8.290 nan 0.000 0.533 1087 E N 1.268 121.394 120.200 -0.123 0.000 2.231 1087 E HA 0.469 4.818 4.350 -0.001 0.000 0.277 1087 E C -2.316 174.228 176.600 -0.092 0.000 0.999 1087 E CA -1.834 54.510 56.400 -0.094 0.000 0.827 1087 E CB 2.094 31.755 29.700 -0.066 0.000 1.101 1087 E HN 0.297 nan 8.360 nan 0.000 0.393 1088 P HA 0.286 nan 4.420 nan 0.000 0.286 1088 P C -0.575 176.728 177.300 0.006 0.000 1.261 1088 P CA -0.475 62.635 63.100 0.017 0.000 0.821 1088 P CB 1.282 33.088 31.700 0.176 0.000 1.013 1089 V N 2.618 122.528 119.914 -0.006 0.000 2.789 1089 V HA 0.233 4.352 4.120 -0.001 0.000 0.311 1089 V C 0.096 176.179 176.094 -0.018 0.000 1.073 1089 V CA -0.901 61.383 62.300 -0.027 0.000 0.921 1089 V CB 2.566 34.347 31.823 -0.071 0.000 1.009 1089 V HN 0.267 nan 8.190 nan 0.000 0.426 1090 V N 4.665 124.564 119.914 -0.024 0.000 2.465 1090 V HA 0.464 4.584 4.120 -0.001 0.000 0.279 1090 V C -0.065 176.001 176.094 -0.048 0.000 1.045 1090 V CA -0.258 62.009 62.300 -0.055 0.000 0.938 1090 V CB 1.579 33.335 31.823 -0.111 0.000 0.986 1090 V HN 0.593 nan 8.190 nan 0.000 0.467 1091 V N 4.419 124.309 119.914 -0.041 0.000 2.715 1091 V HA 0.474 4.593 4.120 -0.001 0.000 0.310 1091 V C -0.750 175.340 176.094 -0.006 0.000 1.054 1091 V CA -0.830 61.495 62.300 0.042 0.000 0.928 1091 V CB 2.066 33.931 31.823 0.070 0.000 1.007 1091 V HN 0.932 nan 8.190 nan 0.000 0.437 1092 H N 3.405 122.527 119.070 0.086 0.000 2.467 1092 H HA 0.492 5.047 4.556 -0.002 0.000 0.326 1092 H C -0.261 175.091 175.328 0.040 0.000 1.094 1092 H CA -0.732 55.337 56.048 0.035 0.000 1.253 1092 H CB 1.104 30.765 29.762 -0.168 0.000 1.439 1092 H HN 0.339 nan 8.280 nan 0.000 0.479 1093 I N 3.267 123.987 120.570 0.249 0.000 2.436 1093 I HA -0.007 4.162 4.170 -0.001 0.000 0.289 1093 I C 1.159 177.387 176.117 0.185 0.000 1.083 1093 I CA 0.339 61.782 61.300 0.238 0.000 1.372 1093 I CB 0.556 38.729 38.000 0.288 0.000 1.408 1093 I HN 0.820 nan 8.210 nan 0.000 0.516 1094 T N 0.495 115.140 114.554 0.151 0.000 3.040 1094 T HA 0.266 4.615 4.350 -0.001 0.000 0.266 1094 T C 0.194 174.962 174.700 0.113 0.000 1.005 1094 T CA -0.280 61.909 62.100 0.149 0.000 0.906 1094 T CB 0.480 69.428 68.868 0.132 0.000 1.082 1094 T HN 0.514 nan 8.240 nan 0.000 0.531 1095 D N -0.182 120.307 120.400 0.148 0.000 2.779 1095 D HA 0.396 5.035 4.640 -0.001 0.000 0.331 1095 D C -2.191 174.026 176.300 -0.138 0.000 1.331 1095 D CA -0.473 53.552 54.000 0.041 0.000 0.866 1095 D CB 1.828 42.627 40.800 -0.001 0.000 1.409 1095 D HN -0.008 nan 8.370 nan 0.000 0.486 1096 D N -0.025 120.079 120.400 -0.493 0.000 2.256 1096 D HA 0.256 4.895 4.640 -0.001 0.000 0.240 1096 D C -0.825 175.283 176.300 -0.319 0.000 1.062 1096 D CA -0.299 53.252 54.000 -0.748 0.000 0.832 1096 D CB 0.588 40.749 40.800 -1.065 0.000 1.135 1096 D HN 0.316 nan 8.370 nan 0.000 0.484 1097 N N 3.307 121.865 118.700 -0.237 0.000 2.719 1097 N HA 0.045 4.784 4.740 -0.001 0.000 0.243 1097 N C 0.436 175.860 175.510 -0.143 0.000 1.104 1097 N CA -0.156 52.784 53.050 -0.183 0.000 0.981 1097 N CB 0.472 38.812 38.487 -0.244 0.000 1.290 1097 N HN 0.397 nan 8.380 nan 0.000 0.513 1098 E N 1.116 121.243 120.200 -0.121 0.000 2.268 1098 E HA -0.094 4.255 4.350 -0.001 0.000 0.195 1098 E C -0.249 176.321 176.600 -0.050 0.000 0.995 1098 E CA 0.809 57.163 56.400 -0.078 0.000 0.836 1098 E CB 0.258 29.909 29.700 -0.083 0.000 0.763 1098 E HN 0.570 nan 8.360 nan 0.000 0.491 1099 E N 1.446 121.615 120.200 -0.053 0.000 2.969 1099 E HA 0.170 4.519 4.350 -0.001 0.000 0.213 1099 E C -2.331 174.298 176.600 0.048 0.000 1.107 1099 E CA -1.713 54.682 56.400 -0.007 0.000 1.007 1099 E CB 0.686 30.384 29.700 -0.004 0.000 1.326 1099 E HN 0.205 nan 8.360 nan 0.000 0.432 1100 P HA 0.169 nan 4.420 nan 0.000 0.272 1100 P C 0.806 178.240 177.300 0.224 0.000 1.223 1100 P CA -0.185 63.052 63.100 0.229 0.000 0.784 1100 P CB 1.100 32.870 31.700 0.116 0.000 0.923 1101 I N -2.552 118.163 120.570 0.241 0.000 4.050 1101 I HA 0.667 4.836 4.170 -0.001 0.000 0.327 1101 I C 0.027 176.127 176.117 -0.029 0.000 1.473 1101 I CA -0.538 60.781 61.300 0.032 0.000 1.124 1101 I CB 0.510 38.476 38.000 -0.057 0.000 1.129 1101 I HN 0.253 nan 8.210 nan 0.000 0.428 1102 A N 0.921 123.743 122.820 0.003 0.000 2.586 1102 A HA 0.641 4.960 4.320 -0.001 0.000 0.290 1102 A C -2.400 175.183 177.584 -0.002 0.000 1.086 1102 A CA -0.747 51.286 52.037 -0.007 0.000 0.665 1102 A CB 0.264 19.255 19.000 -0.015 0.000 1.279 1102 A HN -0.053 nan 8.150 nan 0.000 0.423 1103 P HA -0.117 nan 4.420 nan 0.000 0.216 1103 P C -0.312 176.851 177.300 -0.227 0.000 1.157 1103 P CA 1.664 64.636 63.100 -0.213 0.000 0.880 1103 P CB -0.088 31.410 31.700 -0.338 0.000 0.791 1104 Y N -2.410 117.946 120.300 0.093 0.000 2.341 1104 Y HA 0.412 4.961 4.550 -0.001 0.000 0.338 1104 Y C 0.352 176.284 175.900 0.053 0.000 0.965 1104 Y CA -0.892 57.231 58.100 0.039 0.000 1.108 1104 Y CB 1.447 39.990 38.460 0.139 0.000 1.180 1104 Y HN -0.076 nan 8.280 nan 0.000 0.458 1105 H N 4.087 123.148 119.070 -0.015 0.000 3.013 1105 H HA 0.376 4.931 4.556 -0.002 0.000 0.326 1105 H C -1.779 173.465 175.328 -0.140 0.000 0.973 1105 H CA -0.927 55.113 56.048 -0.013 0.000 1.369 1105 H CB 0.867 30.633 29.762 0.006 0.000 1.598 1105 H HN 0.582 nan 8.280 nan 0.000 0.518 1106 F N 3.261 123.309 119.950 0.165 0.000 2.410 1106 F HA 0.118 4.645 4.527 -0.001 0.000 0.349 1106 F C 0.280 176.110 175.800 0.049 0.000 1.117 1106 F CA -0.449 57.530 58.000 -0.035 0.000 1.104 1106 F CB 1.194 40.112 39.000 -0.137 0.000 1.122 1106 F HN 0.571 nan 8.300 nan 0.000 0.483 1107 D N 5.121 125.555 120.400 0.056 0.000 2.485 1107 D HA 0.337 4.977 4.640 -0.001 0.000 0.229 1107 D C -0.441 175.750 176.300 -0.182 0.000 1.101 1107 D CA -0.126 53.876 54.000 0.003 0.000 0.906 1107 D CB 0.340 41.159 40.800 0.031 0.000 1.019 1107 D HN 0.316 nan 8.370 nan 0.000 0.516 1108 L N 1.055 122.236 121.223 -0.069 0.000 2.468 1108 L HA 0.374 4.713 4.340 -0.001 0.000 0.254 1108 L C 1.283 177.892 176.870 -0.435 0.000 1.171 1108 L CA -0.784 53.978 54.840 -0.129 0.000 0.809 1108 L CB 0.702 42.826 42.059 0.109 0.000 1.155 1108 L HN 0.298 nan 8.230 nan 0.000 0.473 1109 S N -0.487 115.079 115.700 -0.223 0.000 2.645 1109 S HA 0.255 4.724 4.470 -0.001 0.000 0.266 1109 S C 1.093 175.739 174.600 0.076 0.000 1.258 1109 S CA -0.279 57.887 58.200 -0.057 0.000 0.990 1109 S CB 1.294 64.596 63.200 0.169 0.000 0.967 1109 S HN 0.766 nan 8.310 nan 0.000 0.556 1110 G N -0.144 108.745 108.800 0.148 0.000 2.440 1110 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.218 1110 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.218 1110 G C 1.419 176.223 174.900 -0.160 0.000 1.154 1110 G CA 1.021 45.989 45.100 -0.219 0.000 0.767 1110 G HN 0.969 nan 8.290 nan 0.000 0.552 1111 H N 0.890 119.919 119.070 -0.068 0.000 2.321 1111 H HA -0.037 4.518 4.556 -0.002 0.000 0.300 1111 H C 2.825 178.138 175.328 -0.025 0.000 1.087 1111 H CA 1.362 57.386 56.048 -0.041 0.000 1.319 1111 H CB -0.003 29.768 29.762 0.016 0.000 1.379 1111 H HN 0.321 nan 8.280 nan 0.000 0.501 1112 A N 0.847 123.621 122.820 -0.075 0.000 1.877 1112 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 1112 A C 2.383 179.902 177.584 -0.109 0.000 1.186 1112 A CA 1.398 53.361 52.037 -0.122 0.000 0.620 1112 A CB -1.327 17.673 19.000 -0.001 0.000 0.822 1112 A HN 0.544 nan 8.150 nan 0.000 0.443 1113 F N 0.941 120.760 119.950 -0.217 0.000 2.043 1113 F HA -0.147 4.379 4.527 -0.002 0.000 0.297 1113 F C 2.429 178.070 175.800 -0.266 0.000 1.121 1113 F CA 2.077 59.939 58.000 -0.230 0.000 1.199 1113 F CB -0.663 38.142 39.000 -0.325 0.000 0.968 1113 F HN 0.236 nan 8.300 nan 0.000 0.478 1114 G N -0.644 108.145 108.800 -0.019 0.000 2.462 1114 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.220 1114 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.220 1114 G C 1.670 176.477 174.900 -0.154 0.000 1.121 1114 G CA 0.616 45.662 45.100 -0.090 0.000 0.758 1114 G HN 0.639 nan 8.290 nan 0.000 0.559 1115 A N 0.337 123.022 122.820 -0.226 0.000 2.186 1115 A HA 0.113 4.432 4.320 -0.001 0.000 0.219 1115 A C 2.214 179.692 177.584 -0.177 0.000 1.159 1115 A CA 1.233 53.130 52.037 -0.233 0.000 0.680 1115 A CB -0.321 18.488 19.000 -0.318 0.000 0.787 1115 A HN 0.443 nan 8.150 nan 0.000 0.467 1116 M N -0.608 118.873 119.600 -0.199 0.000 2.495 1116 M HA 0.202 4.681 4.480 -0.001 0.000 0.237 1116 M C 0.996 177.203 176.300 -0.155 0.000 1.131 1116 M CA 0.129 55.314 55.300 -0.192 0.000 1.032 1116 M CB -0.084 32.356 32.600 -0.265 0.000 1.513 1116 M HN 0.415 nan 8.290 nan 0.000 0.488 1117 A N 1.135 123.877 122.820 -0.129 0.000 2.246 1117 A HA 0.428 4.747 4.320 -0.001 0.000 0.291 1117 A C -0.019 177.522 177.584 -0.071 0.000 1.103 1117 A CA -0.546 51.436 52.037 -0.092 0.000 0.844 1117 A CB 0.535 19.494 19.000 -0.068 0.000 1.136 1117 A HN 0.280 nan 8.150 nan 0.000 0.500 1118 K N 0.865 121.233 120.400 -0.055 0.000 2.326 1118 K HA 0.145 4.464 4.320 -0.001 0.000 0.275 1118 K C -0.525 176.054 176.600 -0.034 0.000 1.018 1118 K CA -0.112 56.148 56.287 -0.043 0.000 0.962 1118 K CB 0.479 32.958 32.500 -0.036 0.000 0.953 1118 K HN 0.535 nan 8.250 nan 0.000 0.475 1119 K N 1.184 121.566 120.400 -0.029 0.000 2.401 1119 K HA -0.180 4.139 4.320 -0.001 0.000 0.267 1119 K C 0.940 177.531 176.600 -0.016 0.000 1.140 1119 K CA 0.998 57.273 56.287 -0.020 0.000 1.199 1119 K CB -0.415 32.076 32.500 -0.015 0.000 0.822 1119 K HN 0.975 nan 8.250 nan 0.000 0.488 1120 G N 2.973 111.765 108.800 -0.013 0.000 2.175 1120 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.244 1120 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.244 1120 G C 0.162 175.056 174.900 -0.011 0.000 0.982 1120 G CA 0.126 45.221 45.100 -0.009 0.000 0.641 1120 G HN 0.679 nan 8.290 nan 0.000 0.527 1121 D N 0.284 120.674 120.400 -0.017 0.000 2.395 1121 D HA 0.315 4.954 4.640 -0.001 0.000 0.213 1121 D C 1.838 178.126 176.300 -0.020 0.000 1.110 1121 D CA 0.234 54.225 54.000 -0.015 0.000 0.835 1121 D CB 0.150 40.940 40.800 -0.017 0.000 0.965 1121 D HN 0.465 nan 8.370 nan 0.000 0.505 1122 E N 0.538 120.720 120.200 -0.029 0.000 2.233 1122 E HA -0.232 4.117 4.350 -0.001 0.000 0.199 1122 E C 1.781 178.350 176.600 -0.051 0.000 1.004 1122 E CA 1.028 57.401 56.400 -0.045 0.000 0.819 1122 E CB 0.004 29.678 29.700 -0.044 0.000 0.738 1122 E HN 0.363 nan 8.360 nan 0.000 0.478 1123 Q N 0.273 120.053 119.800 -0.033 0.000 2.204 1123 Q HA -0.054 4.285 4.340 -0.001 0.000 0.198 1123 Q C 2.080 178.080 176.000 0.001 0.000 0.946 1123 Q CA 0.705 56.488 55.803 -0.034 0.000 0.859 1123 Q CB 0.101 28.831 28.738 -0.014 0.000 0.946 1123 Q HN 0.132 nan 8.270 nan 0.000 0.474 1124 K N 0.328 120.736 120.400 0.012 0.000 2.063 1124 K HA -0.204 4.116 4.320 -0.001 0.000 0.208 1124 K C 2.073 178.707 176.600 0.057 0.000 1.048 1124 K CA 1.305 57.610 56.287 0.030 0.000 0.928 1124 K CB -0.121 32.390 32.500 0.019 0.000 0.713 1124 K HN 0.211 nan 8.250 nan 0.000 0.442 1125 L N 1.535 122.792 121.223 0.057 0.000 2.044 1125 L HA -0.068 4.271 4.340 -0.001 0.000 0.205 1125 L C 2.306 179.331 176.870 0.258 0.000 1.075 1125 L CA 1.568 56.481 54.840 0.121 0.000 0.747 1125 L CB -0.576 41.517 42.059 0.058 0.000 0.903 1125 L HN 0.106 nan 8.230 nan 0.000 0.435 1126 R N -0.633 119.937 120.500 0.117 0.000 2.249 1126 R HA -0.125 4.214 4.340 -0.001 0.000 0.230 1126 R C 2.075 178.460 176.300 0.140 0.000 1.121 1126 R CA 1.181 57.201 56.100 -0.133 0.000 0.997 1126 R CB -0.171 29.813 30.300 -0.526 0.000 0.867 1126 R HN 0.681 nan 8.270 nan 0.000 0.465 1127 S N -1.405 114.395 115.700 0.167 0.000 2.593 1127 S HA 0.101 4.570 4.470 -0.001 0.000 0.217 1127 S C 1.699 176.407 174.600 0.178 0.000 0.966 1127 S CA 0.373 58.683 58.200 0.183 0.000 0.914 1127 S CB 0.695 63.964 63.200 0.115 0.000 0.776 1127 S HN 0.332 nan 8.310 nan 0.000 0.523 1128 A N 1.041 123.999 122.820 0.230 0.000 2.168 1128 A HA 0.478 4.797 4.320 -0.001 0.000 0.215 1128 A C 2.061 179.769 177.584 0.207 0.000 1.152 1128 A CA 1.055 53.222 52.037 0.217 0.000 0.716 1128 A CB -1.371 17.788 19.000 0.267 0.000 0.794 1128 A HN 1.350 nan 8.150 nan 0.000 0.465 1129 G N -0.573 108.349 108.800 0.203 0.000 5.266 1129 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.262 1129 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.262 1129 G C 0.174 175.151 174.900 0.128 0.000 1.359 1129 G CA 0.643 45.778 45.100 0.059 0.000 0.955 1129 G HN 0.658 nan 8.290 nan 0.000 0.754 1130 E N 0.692 121.010 120.200 0.196 0.000 2.312 1130 E HA 0.763 5.112 4.350 -0.001 0.000 0.267 1130 E C 0.025 176.773 176.600 0.247 0.000 0.894 1130 E CA -0.362 56.178 56.400 0.233 0.000 0.773 1130 E CB 2.401 32.160 29.700 0.098 0.000 1.241 1130 E HN 0.965 nan 8.360 nan 0.000 0.432 1131 L N -1.767 119.581 121.223 0.208 0.000 2.765 1131 L HA 0.670 5.009 4.340 -0.001 0.000 0.263 1131 L C -1.427 175.472 176.870 0.047 0.000 1.068 1131 L CA -1.053 53.848 54.840 0.102 0.000 0.903 1131 L CB 2.059 44.153 42.059 0.058 0.000 1.512 1131 L HN 0.315 nan 8.230 nan 0.000 0.404 1132 E N 1.688 121.896 120.200 0.013 0.000 2.133 1132 E HA 0.657 5.006 4.350 -0.001 0.000 0.274 1132 E C -1.089 175.503 176.600 -0.013 0.000 0.930 1132 E CA -0.342 56.070 56.400 0.019 0.000 0.770 1132 E CB 1.608 31.321 29.700 0.021 0.000 1.104 1132 E HN 0.564 nan 8.360 nan 0.000 0.403 1133 L N 0.453 121.683 121.223 0.012 0.000 2.279 1133 L HA 0.651 4.990 4.340 -0.001 0.000 0.262 1133 L C -0.556 176.371 176.870 0.095 0.000 1.019 1133 L CA -0.812 54.015 54.840 -0.021 0.000 0.823 1133 L CB 1.293 43.285 42.059 -0.112 0.000 1.358 1133 L HN 0.315 nan 8.230 nan 0.000 0.432 1134 Q N 0.658 120.502 119.800 0.074 0.000 2.345 1134 Q HA 0.752 5.092 4.340 -0.001 0.000 0.268 1134 Q C -1.568 174.715 176.000 0.473 0.000 1.054 1134 Q CA -0.535 55.403 55.803 0.224 0.000 0.835 1134 Q CB 2.687 31.412 28.738 -0.022 0.000 1.339 1134 Q HN 0.681 nan 8.270 nan 0.000 0.447 1135 F N -0.974 119.197 119.950 0.370 0.000 2.662 1135 F HA 0.811 5.337 4.527 -0.002 0.000 0.312 1135 F C -1.556 174.334 175.800 0.150 0.000 1.113 1135 F CA -1.289 56.878 58.000 0.279 0.000 0.951 1135 F CB 1.405 40.383 39.000 -0.035 0.000 1.344 1135 F HN 0.525 nan 8.300 nan 0.000 0.462 1136 R N 0.804 121.311 120.500 0.012 0.000 2.579 1136 R HA 0.473 4.812 4.340 -0.001 0.000 0.260 1136 R C -1.649 174.648 176.300 -0.005 0.000 1.103 1136 R CA -0.991 54.957 56.100 -0.253 0.000 0.942 1136 R CB 1.517 31.336 30.300 -0.801 0.000 1.251 1136 R HN 0.974 nan 8.270 nan 0.000 0.450 1137 R N 1.987 122.470 120.500 -0.028 0.000 2.590 1137 R HA 0.451 4.790 4.340 -0.001 0.000 0.274 1137 R C -0.346 175.722 176.300 -0.387 0.000 1.061 1137 R CA -0.102 55.740 56.100 -0.431 0.000 1.081 1137 R CB 0.847 30.729 30.300 -0.698 0.000 0.984 1137 R HN 0.651 nan 8.270 nan 0.000 0.448 1138 V N 0.053 119.709 119.914 -0.430 0.000 3.114 1138 V HA 0.446 4.565 4.120 -0.001 0.000 0.308 1138 V C -0.755 175.161 176.094 -0.297 0.000 1.168 1138 V CA -1.309 60.815 62.300 -0.294 0.000 1.015 1138 V CB 1.737 33.426 31.823 -0.223 0.000 1.050 1138 V HN 0.797 nan 8.190 nan 0.000 0.433 1139 K N 1.096 121.372 120.400 -0.207 0.000 2.448 1139 K HA 0.292 4.611 4.320 -0.001 0.000 0.278 1139 K C -0.162 176.303 176.600 -0.225 0.000 1.009 1139 K CA -0.270 55.909 56.287 -0.180 0.000 0.995 1139 K CB 0.395 32.828 32.500 -0.111 0.000 0.917 1139 K HN 0.942 nan 8.250 nan 0.000 0.481 1140 c N 3.292 121.729 118.600 -0.272 0.000 2.700 1140 c HA 0.141 4.710 4.570 -0.001 0.000 0.397 1140 c C 0.505 174.357 174.090 -0.397 0.000 1.301 1140 c CA -0.200 55.879 56.329 -0.416 0.000 2.219 1140 c CB -0.119 42.020 42.510 -0.619 0.000 2.699 1140 c HN 0.735 nan 8.230 nan 0.000 0.669 1141 K N 2.068 122.241 120.400 -0.379 0.000 2.616 1141 K HA 0.375 4.694 4.320 -0.001 0.000 0.241 1141 K C -1.586 174.921 176.600 -0.156 0.000 0.961 1141 K CA -0.198 55.961 56.287 -0.213 0.000 0.942 1141 K CB 0.481 32.920 32.500 -0.102 0.000 1.153 1141 K HN 0.754 nan 8.250 nan 0.000 0.452 1142 Y N 3.329 123.660 120.300 0.051 0.000 2.320 1142 Y HA 0.290 4.839 4.550 -0.001 0.000 0.324 1142 Y C -1.498 174.380 175.900 -0.036 0.000 1.190 1142 Y CA -2.099 55.999 58.100 -0.003 0.000 1.215 1142 Y CB 0.677 39.100 38.460 -0.062 0.000 1.221 1142 Y HN 0.488 nan 8.280 nan 0.000 0.486 1143 P HA -0.028 nan 4.420 nan 0.000 0.271 1143 P C -0.600 176.707 177.300 0.011 0.000 1.216 1143 P CA -0.325 62.793 63.100 0.030 0.000 0.771 1143 P CB 0.819 32.514 31.700 -0.009 0.000 0.864 1144 E N 1.976 122.182 120.200 0.011 0.000 2.467 1144 E HA 0.009 4.358 4.350 -0.001 0.000 0.264 1144 E C 0.972 177.559 176.600 -0.022 0.000 1.020 1144 E CA 0.648 57.050 56.400 0.004 0.000 0.945 1144 E CB -0.558 29.145 29.700 0.006 0.000 0.942 1144 E HN 0.837 nan 8.360 nan 0.000 0.449 1145 G N 2.377 111.163 108.800 -0.023 0.000 2.213 1145 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.236 1145 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.236 1145 G C 0.272 175.127 174.900 -0.075 0.000 0.991 1145 G CA 0.265 45.342 45.100 -0.039 0.000 0.629 1145 G HN 0.728 nan 8.290 nan 0.000 0.517 1146 T N 1.767 116.258 114.554 -0.104 0.000 2.814 1146 T HA 0.548 4.897 4.350 -0.001 0.000 0.297 1146 T C 0.123 174.738 174.700 -0.141 0.000 0.956 1146 T CA 0.469 62.443 62.100 -0.210 0.000 1.123 1146 T CB 1.246 69.930 68.868 -0.307 0.000 0.902 1146 T HN 0.305 nan 8.240 nan 0.000 0.528 1147 K N 1.786 122.111 120.400 -0.124 0.000 2.316 1147 K HA 0.494 4.814 4.320 -0.001 0.000 0.251 1147 K C -0.605 175.975 176.600 -0.033 0.000 0.934 1147 K CA -0.786 55.478 56.287 -0.039 0.000 0.802 1147 K CB 1.924 34.431 32.500 0.012 0.000 1.171 1147 K HN 0.403 nan 8.250 nan 0.000 0.426 1148 V N 3.213 123.097 119.914 -0.051 0.000 2.486 1148 V HA 0.027 4.146 4.120 -0.001 0.000 0.290 1148 V C -0.781 175.122 176.094 -0.318 0.000 0.991 1148 V CA 0.880 63.053 62.300 -0.212 0.000 1.142 1148 V CB -0.325 31.345 31.823 -0.255 0.000 0.926 1148 V HN 0.705 nan 8.190 nan 0.000 0.472 1149 T N 8.980 123.329 114.554 -0.343 0.000 2.829 1149 T HA 0.572 4.921 4.350 -0.001 0.000 0.282 1149 T C -0.647 173.803 174.700 -0.417 0.000 0.990 1149 T CA 0.099 62.059 62.100 -0.234 0.000 1.028 1149 T CB 0.782 69.621 68.868 -0.047 0.000 0.951 1149 T HN 0.490 nan 8.240 nan 0.000 0.460 1150 F N 2.451 122.429 119.950 0.047 0.000 2.361 1150 F HA 0.335 4.861 4.527 -0.001 0.000 0.364 1150 F C 0.481 176.378 175.800 0.160 0.000 1.117 1150 F CA -1.030 57.006 58.000 0.060 0.000 1.071 1150 F CB 0.667 39.693 39.000 0.043 0.000 1.188 1150 F HN 0.571 nan 8.300 nan 0.000 0.464 1151 H N 2.607 121.780 119.070 0.170 0.000 2.552 1151 H HA 0.527 5.082 4.556 -0.001 0.000 0.311 1151 H C -0.988 174.437 175.328 0.163 0.000 1.071 1151 H CA -0.639 55.501 56.048 0.153 0.000 1.307 1151 H CB 1.125 30.939 29.762 0.087 0.000 1.416 1151 H HN 0.395 nan 8.280 nan 0.000 0.464 1152 V N 5.659 125.422 119.914 -0.252 0.000 2.387 1152 V HA 0.037 4.156 4.120 -0.001 0.000 0.260 1152 V C 0.623 176.530 176.094 -0.313 0.000 1.054 1152 V CA -0.465 61.728 62.300 -0.178 0.000 0.967 1152 V CB 0.010 31.845 31.823 0.020 0.000 1.036 1152 V HN 0.793 nan 8.190 nan 0.000 0.481 1153 E N 5.232 125.376 120.200 -0.094 0.000 2.436 1153 E HA 0.061 4.410 4.350 -0.001 0.000 0.262 1153 E C 0.541 177.200 176.600 0.099 0.000 1.063 1153 E CA -0.147 56.291 56.400 0.063 0.000 0.944 1153 E CB 0.486 30.267 29.700 0.136 0.000 0.950 1153 E HN 0.640 nan 8.360 nan 0.000 0.444 1154 K N 1.639 122.126 120.400 0.146 0.000 2.276 1154 K HA 0.302 4.621 4.320 -0.001 0.000 0.259 1154 K C 0.833 177.540 176.600 0.178 0.000 1.001 1154 K CA 0.235 56.613 56.287 0.152 0.000 0.927 1154 K CB 0.469 33.051 32.500 0.136 0.000 0.969 1154 K HN 0.695 nan 8.250 nan 0.000 0.490 1155 G N 0.453 109.361 108.800 0.179 0.000 2.176 1155 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.232 1155 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.232 1155 G C -0.330 174.763 174.900 0.322 0.000 0.986 1155 G CA 0.161 45.377 45.100 0.194 0.000 0.643 1155 G HN 0.635 nan 8.290 nan 0.000 0.522 1156 S N 1.321 117.222 115.700 0.334 0.000 2.523 1156 S HA 0.569 5.038 4.470 -0.001 0.000 0.275 1156 S C 0.407 175.246 174.600 0.399 0.000 1.281 1156 S CA 0.238 58.683 58.200 0.408 0.000 1.050 1156 S CB 1.192 64.593 63.200 0.335 0.000 0.937 1156 S HN 0.952 nan 8.310 nan 0.000 0.492 1157 N N 2.418 121.360 118.700 0.403 0.000 2.966 1157 N HA 0.534 5.273 4.740 -0.001 0.000 0.314 1157 N C -2.851 172.849 175.510 0.316 0.000 1.397 1157 N CA -1.949 51.252 53.050 0.251 0.000 0.776 1157 N CB 0.033 38.622 38.487 0.170 0.000 1.576 1157 N HN 0.143 nan 8.380 nan 0.000 0.592 1158 P HA 0.099 nan 4.420 nan 0.000 0.252 1158 P C -0.652 176.793 177.300 0.241 0.000 1.265 1158 P CA 0.667 63.892 63.100 0.209 0.000 0.775 1158 P CB -0.118 31.617 31.700 0.057 0.000 1.128 1159 N N -1.853 116.992 118.700 0.241 0.000 2.082 1159 N HA 0.053 4.792 4.740 -0.001 0.000 0.228 1159 N C -0.947 174.716 175.510 0.254 0.000 1.341 1159 N CA -0.102 53.071 53.050 0.205 0.000 0.873 1159 N CB 0.966 39.547 38.487 0.156 0.000 1.137 1159 N HN 0.138 nan 8.380 nan 0.000 0.505 1160 Y N 1.435 121.813 120.300 0.129 0.000 2.401 1160 Y HA 0.479 5.028 4.550 -0.001 0.000 0.330 1160 Y C -1.950 174.002 175.900 0.087 0.000 1.071 1160 Y CA -0.875 57.278 58.100 0.088 0.000 1.049 1160 Y CB 1.228 39.738 38.460 0.083 0.000 1.239 1160 Y HN -0.209 nan 8.280 nan 0.000 0.437 1161 L N 5.835 126.667 121.223 -0.652 0.000 2.410 1161 L HA 0.934 5.273 4.340 -0.001 0.000 0.270 1161 L C -1.670 174.796 176.870 -0.673 0.000 0.983 1161 L CA -0.443 54.063 54.840 -0.557 0.000 0.822 1161 L CB 1.576 43.312 42.059 -0.539 0.000 1.285 1161 L HN 0.884 nan 8.230 nan 0.000 0.409 1162 A N 6.960 129.529 122.820 -0.418 0.000 2.385 1162 A HA 0.707 5.026 4.320 -0.001 0.000 0.290 1162 A C -1.206 176.335 177.584 -0.072 0.000 1.094 1162 A CA -0.542 51.364 52.037 -0.218 0.000 0.729 1162 A CB 1.216 20.170 19.000 -0.077 0.000 1.194 1162 A HN 0.754 nan 8.150 nan 0.000 0.442 1163 L N 0.454 121.683 121.223 0.011 0.000 2.359 1163 L HA 0.897 5.236 4.340 -0.001 0.000 0.256 1163 L C -1.541 175.451 176.870 0.203 0.000 1.026 1163 L CA -1.095 53.794 54.840 0.083 0.000 0.828 1163 L CB 1.772 43.851 42.059 0.034 0.000 1.406 1163 L HN 0.511 nan 8.230 nan 0.000 0.413 1164 L N 1.656 123.003 121.223 0.207 0.000 2.331 1164 L HA 0.622 4.961 4.340 -0.001 0.000 0.275 1164 L C -0.670 176.265 176.870 0.107 0.000 1.022 1164 L CA -1.050 53.904 54.840 0.190 0.000 0.812 1164 L CB 2.223 44.382 42.059 0.168 0.000 1.257 1164 L HN 0.419 nan 8.230 nan 0.000 0.435 1165 V N 2.485 122.405 119.914 0.011 0.000 2.250 1165 V HA 0.264 4.383 4.120 -0.001 0.000 0.268 1165 V C 0.057 175.950 176.094 -0.336 0.000 1.043 1165 V CA -0.824 61.304 62.300 -0.287 0.000 0.814 1165 V CB 0.650 32.279 31.823 -0.324 0.000 1.072 1165 V HN 0.684 nan 8.190 nan 0.000 0.451 1166 K N 2.446 122.573 120.400 -0.454 0.000 2.107 1166 K HA 0.506 4.825 4.320 -0.001 0.000 0.251 1166 K C 0.010 176.165 176.600 -0.742 0.000 1.012 1166 K CA -0.749 55.127 56.287 -0.684 0.000 0.920 1166 K CB 0.456 32.253 32.500 -1.172 0.000 1.033 1166 K HN 0.568 nan 8.250 nan 0.000 0.478 1167 Y N -1.766 118.327 120.300 -0.344 0.000 3.108 1167 Y HA -0.202 4.347 4.550 -0.001 0.000 0.208 1167 Y C -0.261 175.492 175.900 -0.246 0.000 1.245 1167 Y CA -0.622 57.160 58.100 -0.529 0.000 1.171 1167 Y CB -1.976 35.971 38.460 -0.855 0.000 1.331 1167 Y HN 0.139 nan 8.280 nan 0.000 0.534 1168 V N 1.241 121.158 119.914 0.004 0.000 2.299 1168 V HA -0.027 4.092 4.120 -0.001 0.000 0.255 1168 V C 1.257 177.488 176.094 0.229 0.000 1.100 1168 V CA 0.056 62.380 62.300 0.040 0.000 0.938 1168 V CB 0.998 32.767 31.823 -0.090 0.000 1.139 1168 V HN 0.590 nan 8.190 nan 0.000 0.490 1169 N N 3.697 122.598 118.700 0.334 0.000 2.627 1169 N HA -0.023 4.716 4.740 -0.001 0.000 0.196 1169 N C 1.269 176.856 175.510 0.128 0.000 1.268 1169 N CA 0.121 53.336 53.050 0.276 0.000 0.904 1169 N CB 0.212 38.854 38.487 0.257 0.000 1.016 1169 N HN 0.835 nan 8.380 nan 0.000 0.448 1170 G N 0.944 109.827 108.800 0.138 0.000 2.777 1170 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.286 1170 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.286 1170 G C 0.535 175.474 174.900 0.065 0.000 1.283 1170 G CA 0.461 45.625 45.100 0.108 0.000 1.060 1170 G HN 0.527 nan 8.290 nan 0.000 0.641 1171 D N -1.140 119.299 120.400 0.065 0.000 2.106 1171 D HA 0.247 4.886 4.640 -0.001 0.000 0.203 1171 D C 1.448 177.812 176.300 0.106 0.000 0.977 1171 D CA 1.123 55.161 54.000 0.063 0.000 0.844 1171 D CB -0.264 40.570 40.800 0.056 0.000 1.002 1171 D HN 0.669 nan 8.370 nan 0.000 0.461 1172 G N -0.836 108.040 108.800 0.127 0.000 3.217 1172 G HA2 0.385 4.344 3.960 -0.001 0.000 0.213 1172 G HA3 0.385 4.344 3.960 -0.001 0.000 0.213 1172 G C -1.072 173.902 174.900 0.124 0.000 1.294 1172 G CA -0.676 44.539 45.100 0.193 0.000 0.987 1172 G HN -0.020 nan 8.290 nan 0.000 0.584 1173 D N 0.555 121.036 120.400 0.135 0.000 2.341 1173 D HA 0.311 4.950 4.640 -0.001 0.000 0.245 1173 D C 0.801 177.172 176.300 0.119 0.000 1.106 1173 D CA -0.146 53.917 54.000 0.104 0.000 0.905 1173 D CB 1.846 42.702 40.800 0.094 0.000 1.202 1173 D HN 0.360 nan 8.370 nan 0.000 0.426 1174 V N 0.370 120.366 119.914 0.136 0.000 2.508 1174 V HA 0.135 4.254 4.120 -0.001 0.000 0.281 1174 V C 0.960 177.178 176.094 0.207 0.000 1.041 1174 V CA -0.419 61.964 62.300 0.138 0.000 1.016 1174 V CB 0.820 32.702 31.823 0.099 0.000 0.984 1174 V HN 0.406 nan 8.190 nan 0.000 0.478 1175 V N 1.639 121.632 119.914 0.131 0.000 3.621 1175 V HA 0.823 4.942 4.120 -0.001 0.000 0.285 1175 V C 0.760 176.949 176.094 0.159 0.000 1.346 1175 V CA 0.482 62.904 62.300 0.202 0.000 1.104 1175 V CB -0.828 31.064 31.823 0.114 0.000 0.913 1175 V HN 1.695 nan 8.190 nan 0.000 0.432 1176 A N -0.441 122.264 122.820 -0.192 0.000 2.577 1176 A HA 0.775 5.094 4.320 -0.001 0.000 0.297 1176 A C -1.319 175.819 177.584 -0.745 0.000 1.060 1176 A CA -0.373 51.394 52.037 -0.450 0.000 0.697 1176 A CB 1.981 20.872 19.000 -0.182 0.000 1.281 1176 A HN 0.420 nan 8.150 nan 0.000 0.402 1177 V N 2.916 122.266 119.914 -0.939 0.000 2.623 1177 V HA 0.534 4.654 4.120 -0.001 0.000 0.304 1177 V C -1.206 174.691 176.094 -0.328 0.000 1.054 1177 V CA -0.643 61.250 62.300 -0.678 0.000 0.882 1177 V CB 1.928 33.137 31.823 -1.023 0.000 1.002 1177 V HN 0.934 nan 8.190 nan 0.000 0.424 1178 D N 4.343 124.610 120.400 -0.222 0.000 2.419 1178 D HA 0.707 5.346 4.640 -0.001 0.000 0.234 1178 D C -0.614 175.769 176.300 0.139 0.000 1.014 1178 D CA -0.256 53.715 54.000 -0.048 0.000 0.919 1178 D CB 3.268 43.975 40.800 -0.154 0.000 1.366 1178 D HN 0.581 nan 8.370 nan 0.000 0.490 1179 I N -2.836 117.913 120.570 0.298 0.000 2.934 1179 I HA 0.646 4.815 4.170 -0.001 0.000 0.306 1179 I C -1.108 175.188 176.117 0.299 0.000 1.110 1179 I CA -0.853 60.616 61.300 0.282 0.000 1.019 1179 I CB 2.850 40.806 38.000 -0.074 0.000 1.227 1179 I HN 0.028 nan 8.210 nan 0.000 0.434 1180 K N 2.922 123.393 120.400 0.118 0.000 2.553 1180 K HA 0.302 4.621 4.320 -0.001 0.000 0.250 1180 K C -1.359 175.198 176.600 -0.073 0.000 0.953 1180 K CA -0.493 55.656 56.287 -0.230 0.000 0.800 1180 K CB 2.322 34.217 32.500 -1.007 0.000 1.243 1180 K HN 0.817 nan 8.250 nan 0.000 0.435 1181 E N 3.242 123.380 120.200 -0.103 0.000 2.259 1181 E HA 0.045 4.394 4.350 -0.001 0.000 0.281 1181 E C -0.499 175.938 176.600 -0.272 0.000 1.037 1181 E CA -0.565 55.636 56.400 -0.331 0.000 0.854 1181 E CB 0.759 30.238 29.700 -0.368 0.000 1.051 1181 E HN 0.212 nan 8.360 nan 0.000 0.409 1182 K N 3.305 123.542 120.400 -0.271 0.000 2.258 1182 K HA -0.085 4.234 4.320 -0.001 0.000 0.266 1182 K C 0.338 176.837 176.600 -0.167 0.000 1.204 1182 K CA 1.254 57.426 56.287 -0.192 0.000 1.206 1182 K CB -0.370 32.031 32.500 -0.164 0.000 0.854 1182 K HN 0.841 nan 8.250 nan 0.000 0.453 1183 G N 3.273 111.981 108.800 -0.153 0.000 3.211 1183 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.202 1183 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.202 1183 G C -0.107 174.720 174.900 -0.121 0.000 1.035 1183 G CA -0.494 44.532 45.100 -0.123 0.000 0.846 1183 G HN 0.481 nan 8.290 nan 0.000 0.464 1184 K N 0.513 120.826 120.400 -0.146 0.000 2.240 1184 K HA 0.565 4.884 4.320 -0.001 0.000 0.237 1184 K C 0.419 176.905 176.600 -0.188 0.000 1.027 1184 K CA 0.136 56.340 56.287 -0.139 0.000 0.937 1184 K CB 0.892 33.319 32.500 -0.123 0.000 1.171 1184 K HN 0.221 nan 8.250 nan 0.000 0.479 1185 D N -1.285 119.008 120.400 -0.178 0.000 2.500 1185 D HA 0.031 4.670 4.640 -0.001 0.000 0.218 1185 D C -0.266 175.869 176.300 -0.274 0.000 1.140 1185 D CA -0.029 53.841 54.000 -0.216 0.000 0.830 1185 D CB 0.427 41.153 40.800 -0.124 0.000 1.055 1185 D HN -0.030 nan 8.370 nan 0.000 0.512 1186 K N 0.556 120.825 120.400 -0.218 0.000 2.143 1186 K HA 0.250 4.569 4.320 -0.001 0.000 0.272 1186 K C -0.729 175.736 176.600 -0.224 0.000 1.001 1186 K CA -0.393 55.801 56.287 -0.155 0.000 0.915 1186 K CB 0.922 33.397 32.500 -0.043 0.000 1.047 1186 K HN 0.134 nan 8.250 nan 0.000 0.458 1187 W N 3.036 124.338 121.300 0.003 0.000 2.316 1187 W HA 0.341 5.000 4.660 -0.001 0.000 0.311 1187 W C 0.406 176.925 176.519 -0.001 0.000 1.217 1187 W CA -0.512 56.832 57.345 -0.003 0.000 1.199 1187 W CB 0.535 29.984 29.460 -0.018 0.000 1.202 1187 W HN 0.285 nan 8.180 nan 0.000 0.528 1188 I N 3.716 124.444 120.570 0.262 0.000 2.304 1188 I HA 0.107 4.276 4.170 -0.001 0.000 0.291 1188 I C 0.113 176.309 176.117 0.132 0.000 1.018 1188 I CA -0.616 60.770 61.300 0.144 0.000 1.260 1188 I CB 0.608 38.653 38.000 0.074 0.000 1.390 1188 I HN 0.327 nan 8.210 nan 0.000 0.475 1189 E N 6.189 126.451 120.200 0.102 0.000 2.194 1189 E HA 0.304 4.653 4.350 -0.001 0.000 0.284 1189 E C -0.908 175.740 176.600 0.080 0.000 1.035 1189 E CA -0.827 55.617 56.400 0.073 0.000 0.836 1189 E CB 1.483 31.225 29.700 0.071 0.000 1.070 1189 E HN 0.294 nan 8.360 nan 0.000 0.401 1190 L N 3.430 124.707 121.223 0.090 0.000 2.375 1190 L HA 0.209 4.549 4.340 -0.001 0.000 0.271 1190 L C 0.092 177.162 176.870 0.334 0.000 1.107 1190 L CA -0.102 54.844 54.840 0.178 0.000 0.806 1190 L CB 0.503 42.685 42.059 0.205 0.000 1.146 1190 L HN 0.288 nan 8.230 nan 0.000 0.447 1191 K N 1.562 122.115 120.400 0.254 0.000 2.130 1191 K HA 0.349 4.668 4.320 -0.001 0.000 0.268 1191 K C -0.355 176.273 176.600 0.046 0.000 0.983 1191 K CA -0.444 55.958 56.287 0.191 0.000 0.893 1191 K CB 0.837 33.395 32.500 0.097 0.000 1.066 1191 K HN 0.457 nan 8.250 nan 0.000 0.450 1192 E N 1.092 121.189 120.200 -0.173 0.000 2.331 1192 E HA 0.287 4.636 4.350 -0.001 0.000 0.272 1192 E C -0.789 175.592 176.600 -0.365 0.000 1.036 1192 E CA -0.243 55.726 56.400 -0.719 0.000 0.864 1192 E CB 0.718 29.983 29.700 -0.725 0.000 1.035 1192 E HN 0.662 nan 8.360 nan 0.000 0.408 1193 S N 3.548 119.011 115.700 -0.395 0.000 2.651 1193 S HA 0.266 4.735 4.470 -0.001 0.000 0.279 1193 S C -0.696 173.848 174.600 -0.094 0.000 1.148 1193 S CA -1.055 57.064 58.200 -0.134 0.000 0.837 1193 S CB 0.657 63.831 63.200 -0.042 0.000 1.138 1193 S HN 0.718 nan 8.310 nan 0.000 0.478 1194 W N 1.511 122.745 121.300 -0.111 0.000 2.377 1194 W HA 0.310 4.969 4.660 -0.001 0.000 0.341 1194 W C 1.140 177.627 176.519 -0.054 0.000 1.240 1194 W CA 2.341 59.658 57.345 -0.048 0.000 1.311 1194 W CB -0.328 29.141 29.460 0.015 0.000 1.175 1194 W HN 1.806 nan 8.180 nan 0.000 0.571 1195 G N 3.681 112.220 108.800 -0.434 0.000 2.143 1195 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.248 1195 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.248 1195 G C 0.720 175.459 174.900 -0.269 0.000 0.991 1195 G CA 0.670 45.636 45.100 -0.224 0.000 0.689 1195 G HN 2.056 nan 8.290 nan 0.000 0.522 1196 A N -1.810 120.778 122.820 -0.388 0.000 2.783 1196 A HA -0.205 4.114 4.320 -0.001 0.000 0.292 1196 A C 0.594 177.975 177.584 -0.337 0.000 1.495 1196 A CA 1.546 53.356 52.037 -0.378 0.000 0.787 1196 A CB -1.946 16.925 19.000 -0.216 0.000 1.017 1196 A HN 1.504 nan 8.150 nan 0.000 0.516 1197 I N -0.405 119.953 120.570 -0.353 0.000 2.307 1197 I HA 0.340 4.509 4.170 -0.001 0.000 0.289 1197 I C 0.189 176.111 176.117 -0.326 0.000 1.021 1197 I CA -0.553 60.633 61.300 -0.189 0.000 1.224 1197 I CB 0.707 38.681 38.000 -0.043 0.000 1.376 1197 I HN 0.424 nan 8.210 nan 0.000 0.470 1198 W N 6.705 127.994 121.300 -0.018 0.000 2.316 1198 W HA 0.504 5.163 4.660 -0.002 0.000 0.311 1198 W C 0.194 176.666 176.519 -0.078 0.000 1.217 1198 W CA -0.385 56.939 57.345 -0.035 0.000 1.199 1198 W CB 0.542 29.980 29.460 -0.037 0.000 1.202 1198 W HN 0.296 nan 8.180 nan 0.000 0.528 1199 R N 2.787 123.336 120.500 0.082 0.000 2.750 1199 R HA 0.782 5.121 4.340 -0.001 0.000 0.281 1199 R C -1.605 174.667 176.300 -0.046 0.000 0.972 1199 R CA -1.340 54.727 56.100 -0.054 0.000 0.912 1199 R CB 2.306 32.627 30.300 0.034 0.000 1.187 1199 R HN 0.373 nan 8.270 nan 0.000 0.464 1200 I N 1.310 121.760 120.570 -0.200 0.000 2.644 1200 I HA 0.246 4.415 4.170 -0.001 0.000 0.291 1200 I C -1.836 174.252 176.117 -0.048 0.000 1.180 1200 I CA -0.936 60.316 61.300 -0.081 0.000 1.040 1200 I CB 2.150 40.100 38.000 -0.083 0.000 1.255 1200 I HN 0.769 nan 8.210 nan 0.000 0.422 1201 D N 4.280 124.754 120.400 0.125 0.000 2.505 1201 D HA 0.792 5.431 4.640 -0.001 0.000 0.249 1201 D C -0.749 175.626 176.300 0.125 0.000 1.082 1201 D CA -0.350 53.780 54.000 0.217 0.000 0.839 1201 D CB 2.037 43.026 40.800 0.315 0.000 1.317 1201 D HN 0.581 nan 8.370 nan 0.000 0.497 1202 T N -1.484 113.140 114.554 0.116 0.000 2.841 1202 T HA 0.560 4.909 4.350 -0.001 0.000 0.296 1202 T C -2.248 172.507 174.700 0.091 0.000 1.166 1202 T CA -1.681 60.473 62.100 0.091 0.000 1.007 1202 T CB 1.580 70.496 68.868 0.079 0.000 1.253 1202 T HN 0.099 nan 8.240 nan 0.000 0.511 1203 P HA 0.195 nan 4.420 nan 0.000 0.222 1203 P C -0.386 176.956 177.300 0.070 0.000 1.157 1203 P CA 0.462 63.602 63.100 0.066 0.000 0.816 1203 P CB 0.056 31.787 31.700 0.052 0.000 0.813 1204 D N 1.281 121.726 120.400 0.075 0.000 2.350 1204 D HA 0.063 4.702 4.640 -0.001 0.000 0.249 1204 D C 0.380 176.748 176.300 0.113 0.000 1.119 1204 D CA -0.025 54.023 54.000 0.080 0.000 0.886 1204 D CB 0.875 41.719 40.800 0.074 0.000 1.195 1204 D HN -0.051 nan 8.370 nan 0.000 0.437 1205 K N 1.541 122.006 120.400 0.108 0.000 2.469 1205 K HA 0.086 4.405 4.320 -0.001 0.000 0.274 1205 K C 0.353 177.092 176.600 0.232 0.000 0.983 1205 K CA -0.006 56.367 56.287 0.144 0.000 0.974 1205 K CB 0.609 33.168 32.500 0.098 0.000 0.913 1205 K HN 0.408 nan 8.250 nan 0.000 0.493 1206 L N 3.561 124.996 121.223 0.353 0.000 2.657 1206 L HA 0.064 4.403 4.340 -0.001 0.000 0.239 1206 L C 1.540 178.842 176.870 0.719 0.000 1.215 1206 L CA -0.313 54.927 54.840 0.667 0.000 1.161 1206 L CB -0.165 42.219 42.059 0.543 0.000 1.436 1206 L HN 0.795 nan 8.230 nan 0.000 0.414 1207 T N -2.469 112.282 114.554 0.329 0.000 3.000 1207 T HA 0.118 4.467 4.350 -0.001 0.000 0.233 1207 T C 1.257 175.960 174.700 0.006 0.000 1.036 1207 T CA 0.432 62.627 62.100 0.157 0.000 1.333 1207 T CB -0.496 68.390 68.868 0.030 0.000 1.048 1207 T HN 0.366 nan 8.240 nan 0.000 0.425 1208 G N 3.790 112.474 108.800 -0.193 0.000 2.707 1208 G HA2 0.331 4.290 3.960 -0.001 0.000 0.231 1208 G HA3 0.331 4.290 3.960 -0.001 0.000 0.231 1208 G C -2.591 171.977 174.900 -0.554 0.000 1.246 1208 G CA -0.780 44.133 45.100 -0.311 0.000 0.852 1208 G HN 0.371 nan 8.290 nan 0.000 0.584 1209 P HA 0.134 nan 4.420 nan 0.000 0.265 1209 P C -0.551 176.465 177.300 -0.473 0.000 1.193 1209 P CA 0.487 63.406 63.100 -0.302 0.000 0.765 1209 P CB 0.308 31.912 31.700 -0.161 0.000 0.823 1210 F N 0.578 120.438 119.950 -0.151 0.000 2.458 1210 F HA 0.410 4.936 4.527 -0.002 0.000 0.330 1210 F C 1.074 176.769 175.800 -0.175 0.000 1.082 1210 F CA -0.332 57.563 58.000 -0.174 0.000 0.995 1210 F CB 1.338 40.203 39.000 -0.226 0.000 1.170 1210 F HN 0.032 nan 8.300 nan 0.000 0.478 1211 T N 2.517 117.119 114.554 0.081 0.000 2.771 1211 T HA 0.506 4.855 4.350 -0.001 0.000 0.281 1211 T C -0.707 174.070 174.700 0.127 0.000 0.982 1211 T CA -0.496 61.636 62.100 0.053 0.000 0.978 1211 T CB 1.068 69.979 68.868 0.071 0.000 0.930 1211 T HN 0.247 nan 8.240 nan 0.000 0.447 1212 V N 5.153 125.042 119.914 -0.041 0.000 2.394 1212 V HA 0.522 4.641 4.120 -0.001 0.000 0.282 1212 V C 0.310 176.443 176.094 0.065 0.000 1.031 1212 V CA -0.775 61.492 62.300 -0.056 0.000 0.881 1212 V CB 1.293 32.858 31.823 -0.429 0.000 0.982 1212 V HN 0.668 nan 8.190 nan 0.000 0.451 1213 R N 4.860 125.358 120.500 -0.003 0.000 2.360 1213 R HA 0.529 4.868 4.340 -0.001 0.000 0.318 1213 R C -1.653 174.527 176.300 -0.200 0.000 0.950 1213 R CA -0.547 55.417 56.100 -0.228 0.000 0.837 1213 R CB 1.303 31.182 30.300 -0.702 0.000 1.165 1213 R HN 0.789 nan 8.270 nan 0.000 0.458 1214 Y N 0.343 120.530 120.300 -0.188 0.000 2.376 1214 Y HA 0.527 5.076 4.550 -0.002 0.000 0.340 1214 Y C -0.470 175.315 175.900 -0.191 0.000 0.965 1214 Y CA -1.084 56.877 58.100 -0.233 0.000 1.078 1214 Y CB 1.780 40.141 38.460 -0.164 0.000 1.193 1214 Y HN 0.456 nan 8.280 nan 0.000 0.452 1215 T N 0.553 115.019 114.554 -0.147 0.000 2.855 1215 T HA 0.630 4.979 4.350 -0.001 0.000 0.281 1215 T C -0.003 174.685 174.700 -0.020 0.000 1.007 1215 T CA -0.321 61.698 62.100 -0.134 0.000 1.009 1215 T CB 1.273 70.045 68.868 -0.160 0.000 0.983 1215 T HN 0.988 nan 8.240 nan 0.000 0.455 1216 T N 0.764 115.321 114.554 0.006 0.000 2.881 1216 T HA 0.410 4.759 4.350 -0.001 0.000 0.278 1216 T C 1.181 175.899 174.700 0.030 0.000 0.982 1216 T CA -0.727 61.404 62.100 0.052 0.000 0.989 1216 T CB 1.039 69.951 68.868 0.074 0.000 1.058 1216 T HN 0.759 nan 8.240 nan 0.000 0.529 1217 E N 0.894 121.125 120.200 0.052 0.000 2.136 1217 E HA -0.231 4.118 4.350 -0.001 0.000 0.208 1217 E C 2.136 178.738 176.600 0.003 0.000 1.035 1217 E CA 1.789 58.209 56.400 0.034 0.000 0.838 1217 E CB -0.915 28.815 29.700 0.050 0.000 0.748 1217 E HN 0.867 nan 8.360 nan 0.000 0.459 1218 G N -0.712 108.089 108.800 0.002 0.000 2.739 1218 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.216 1218 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.216 1218 G C 1.097 175.982 174.900 -0.024 0.000 1.298 1218 G CA 1.417 46.507 45.100 -0.016 0.000 0.804 1218 G HN 0.549 nan 8.290 nan 0.000 0.623 1219 G N -2.959 105.823 108.800 -0.031 0.000 4.511 1219 G HA2 0.059 4.018 3.960 -0.001 0.000 0.220 1219 G HA3 0.059 4.018 3.960 -0.001 0.000 0.220 1219 G C 0.213 175.074 174.900 -0.066 0.000 0.733 1219 G CA 0.491 45.563 45.100 -0.046 0.000 0.897 1219 G HN 0.582 nan 8.290 nan 0.000 0.691 1220 T N 2.871 117.389 114.554 -0.060 0.000 2.800 1220 T HA 0.256 4.606 4.350 -0.001 0.000 0.266 1220 T C 0.279 174.896 174.700 -0.138 0.000 0.939 1220 T CA 0.472 62.524 62.100 -0.080 0.000 1.199 1220 T CB 0.413 69.248 68.868 -0.054 0.000 0.899 1220 T HN 0.187 nan 8.240 nan 0.000 0.555 1221 K N 3.166 123.464 120.400 -0.171 0.000 2.285 1221 K HA 0.312 4.631 4.320 -0.001 0.000 0.286 1221 K C 0.644 177.066 176.600 -0.298 0.000 1.072 1221 K CA -0.380 55.752 56.287 -0.259 0.000 0.913 1221 K CB 0.712 33.059 32.500 -0.256 0.000 1.067 1221 K HN 0.560 nan 8.250 nan 0.000 0.479 1222 T N 1.479 115.749 114.554 -0.474 0.000 2.856 1222 T HA 0.295 4.644 4.350 -0.001 0.000 0.283 1222 T C -0.595 173.793 174.700 -0.519 0.000 1.008 1222 T CA -0.798 61.027 62.100 -0.458 0.000 0.997 1222 T CB 1.153 69.741 68.868 -0.466 0.000 0.992 1222 T HN 0.473 nan 8.240 nan 0.000 0.454 1223 E N 1.663 121.725 120.200 -0.229 0.000 2.207 1223 E HA 0.637 4.986 4.350 -0.001 0.000 0.270 1223 E C -0.947 175.681 176.600 0.047 0.000 0.927 1223 E CA -1.323 55.028 56.400 -0.083 0.000 0.799 1223 E CB 2.039 31.745 29.700 0.011 0.000 1.172 1223 E HN 0.776 nan 8.360 nan 0.000 0.404 1224 A N 2.985 125.870 122.820 0.108 0.000 2.431 1224 A HA 0.190 4.509 4.320 -0.001 0.000 0.318 1224 A C -0.286 177.312 177.584 0.022 0.000 1.330 1224 A CA -0.558 51.551 52.037 0.121 0.000 0.804 1224 A CB 0.363 19.497 19.000 0.223 0.000 1.135 1224 A HN 0.676 nan 8.150 nan 0.000 0.483 1225 E N 2.496 122.720 120.200 0.041 0.000 2.415 1225 E HA 0.110 4.459 4.350 -0.001 0.000 0.263 1225 E C -0.565 176.027 176.600 -0.014 0.000 0.995 1225 E CA -0.092 56.319 56.400 0.019 0.000 0.915 1225 E CB 0.231 29.945 29.700 0.024 0.000 0.951 1225 E HN 0.599 nan 8.360 nan 0.000 0.449 1226 D N 2.874 123.251 120.400 -0.038 0.000 2.706 1226 D HA -0.175 4.464 4.640 -0.001 0.000 0.230 1226 D C 0.752 177.015 176.300 -0.060 0.000 1.184 1226 D CA 0.745 54.710 54.000 -0.058 0.000 0.628 1226 D CB -1.252 39.518 40.800 -0.050 0.000 1.019 1226 D HN 0.260 nan 8.370 nan 0.000 0.415 1227 V N -0.731 119.119 119.914 -0.107 0.000 2.591 1227 V HA -0.068 4.051 4.120 -0.001 0.000 0.249 1227 V C 1.547 177.557 176.094 -0.140 0.000 1.053 1227 V CA 0.765 63.007 62.300 -0.097 0.000 1.068 1227 V CB 0.063 31.753 31.823 -0.220 0.000 0.689 1227 V HN 0.342 nan 8.190 nan 0.000 0.462 1228 I N 3.894 124.317 120.570 -0.245 0.000 2.291 1228 I HA 0.252 4.422 4.170 -0.001 0.000 0.290 1228 I C -2.048 173.937 176.117 -0.220 0.000 1.050 1228 I CA -1.923 59.127 61.300 -0.417 0.000 1.245 1228 I CB 1.368 39.121 38.000 -0.411 0.000 1.405 1228 I HN 0.134 nan 8.210 nan 0.000 0.478 1229 P HA 0.019 nan 4.420 nan 0.000 0.272 1229 P C -0.324 177.045 177.300 0.114 0.000 1.240 1229 P CA -0.277 62.812 63.100 -0.018 0.000 0.791 1229 P CB 0.829 32.554 31.700 0.042 0.000 0.978 1230 E N 0.240 120.477 120.200 0.061 0.000 2.398 1230 E HA 0.244 4.593 4.350 -0.001 0.000 0.263 1230 E C 0.671 177.308 176.600 0.062 0.000 1.046 1230 E CA 0.201 56.641 56.400 0.066 0.000 0.908 1230 E CB -0.407 29.284 29.700 -0.015 0.000 0.963 1230 E HN 0.769 nan 8.360 nan 0.000 0.431 1231 G N 4.618 113.390 108.800 -0.046 0.000 2.350 1231 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.298 1231 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.298 1231 G C -0.048 174.782 174.900 -0.117 0.000 1.037 1231 G CA 0.398 45.391 45.100 -0.178 0.000 1.074 1231 G HN 0.491 nan 8.290 nan 0.000 0.511 1232 W N -0.758 120.562 121.300 0.033 0.000 2.141 1232 W HA 0.834 5.493 4.660 -0.001 0.000 0.354 1232 W C 0.002 176.607 176.519 0.143 0.000 1.297 1232 W CA -0.936 56.451 57.345 0.071 0.000 1.380 1232 W CB 0.482 29.874 29.460 -0.112 0.000 1.168 1232 W HN 0.061 nan 8.180 nan 0.000 0.639 1233 K N 0.529 121.234 120.400 0.509 0.000 2.375 1233 K HA 0.549 4.868 4.320 -0.001 0.000 0.249 1233 K C -0.217 176.637 176.600 0.423 0.000 0.942 1233 K CA -0.731 55.728 56.287 0.286 0.000 0.806 1233 K CB 1.921 34.525 32.500 0.173 0.000 1.227 1233 K HN 0.541 nan 8.250 nan 0.000 0.430 1234 A N 1.355 124.357 122.820 0.304 0.000 2.483 1234 A HA 0.264 4.583 4.320 -0.001 0.000 0.238 1234 A C -0.118 177.556 177.584 0.149 0.000 1.070 1234 A CA 0.613 52.811 52.037 0.268 0.000 0.770 1234 A CB -0.296 18.836 19.000 0.219 0.000 1.008 1234 A HN 0.897 nan 8.150 nan 0.000 0.497 1235 D N -0.480 119.949 120.400 0.049 0.000 2.705 1235 D HA -0.124 4.515 4.640 -0.001 0.000 0.240 1235 D C -0.273 176.051 176.300 0.041 0.000 1.137 1235 D CA 1.842 55.852 54.000 0.018 0.000 0.677 1235 D CB -1.213 39.677 40.800 0.150 0.000 1.049 1235 D HN 0.678 nan 8.370 nan 0.000 0.427 1236 T N 0.428 114.896 114.554 -0.142 0.000 2.933 1236 T HA 0.573 4.922 4.350 -0.001 0.000 0.305 1236 T C -0.486 174.138 174.700 -0.127 0.000 1.092 1236 T CA -0.664 61.398 62.100 -0.062 0.000 1.008 1236 T CB 1.875 70.705 68.868 -0.063 0.000 1.102 1236 T HN -0.062 nan 8.240 nan 0.000 0.469 1237 S N 1.846 117.523 115.700 -0.038 0.000 2.462 1237 S HA 0.631 5.100 4.470 -0.001 0.000 0.294 1237 S C -1.303 173.165 174.600 -0.219 0.000 1.144 1237 S CA -0.619 57.621 58.200 0.067 0.000 1.088 1237 S CB 0.238 63.551 63.200 0.188 0.000 1.009 1237 S HN 0.536 nan 8.310 nan 0.000 0.484 1238 Y N 1.730 122.144 120.300 0.190 0.000 2.376 1238 Y HA 0.395 4.944 4.550 -0.001 0.000 0.340 1238 Y C 0.530 176.577 175.900 0.245 0.000 0.965 1238 Y CA -1.077 57.131 58.100 0.179 0.000 1.078 1238 Y CB 1.175 39.723 38.460 0.146 0.000 1.193 1238 Y HN 0.632 nan 8.280 nan 0.000 0.452 1239 E N 0.687 121.075 120.200 0.313 0.000 2.232 1239 E HA 0.730 5.079 4.350 -0.001 0.000 0.264 1239 E C -0.725 176.044 176.600 0.281 0.000 0.973 1239 E CA -1.078 55.490 56.400 0.279 0.000 0.849 1239 E CB 1.764 31.550 29.700 0.144 0.000 1.198 1239 E HN 0.511 nan 8.360 nan 0.000 0.407 1240 S N 0.000 115.873 115.700 0.288 0.000 2.498 1240 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1240 S CA 0.000 58.346 58.200 0.243 0.000 1.107 1240 S CB 0.000 63.399 63.200 0.331 0.000 0.593 1240 S HN 0.000 nan 8.310 nan 0.000 0.517