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 1ikx_1_B DATA FIRST_RESID 1001 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKNKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWY 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 1001 P HA 0.000 nan 4.420 nan 0.000 0.216 1001 P C 0.000 177.396 177.300 0.159 0.000 1.155 1001 P CA 0.000 63.196 63.100 0.159 0.000 0.800 1001 P CB 0.000 31.815 31.700 0.192 0.000 0.726 1002 I N 0.997 121.686 120.570 0.198 0.000 3.058 1002 I HA -0.033 4.137 4.170 0.000 0.000 0.299 1002 I C 0.641 176.860 176.117 0.170 0.000 1.238 1002 I CA 0.403 61.826 61.300 0.204 0.000 1.423 1002 I CB -0.073 38.097 38.000 0.284 0.000 1.330 1002 I HN 0.226 nan 8.210 nan 0.000 0.589 1003 S N 5.291 121.077 115.700 0.142 0.000 2.553 1003 S HA 0.008 4.478 4.470 0.000 0.000 0.271 1003 S C -1.613 173.062 174.600 0.125 0.000 1.362 1003 S CA -0.839 57.430 58.200 0.116 0.000 1.010 1003 S CB -0.125 63.133 63.200 0.098 0.000 0.865 1003 S HN 0.483 nan 8.310 nan 0.000 0.543 1004 P HA 0.422 nan 4.420 nan 0.000 0.323 1004 P C -0.066 177.297 177.300 0.104 0.000 1.374 1004 P CA -0.310 62.854 63.100 0.107 0.000 0.798 1004 P CB 0.302 32.055 31.700 0.088 0.000 1.763 1005 I N -3.967 116.658 120.570 0.092 0.000 1.909 1005 I HA -0.032 4.138 4.170 0.000 0.000 0.318 1005 I C -1.532 174.634 176.117 0.081 0.000 2.792 1005 I CA -0.675 60.674 61.300 0.082 0.000 0.983 1005 I CB 0.742 38.793 38.000 0.085 0.000 2.170 1005 I HN 0.126 nan 8.210 nan 0.000 0.668 1006 E N 4.467 124.708 120.200 0.069 0.000 2.603 1006 E HA 0.124 4.474 4.350 0.000 0.000 0.242 1006 E C 0.026 176.673 176.600 0.080 0.000 1.083 1006 E CA 0.634 57.075 56.400 0.068 0.000 0.950 1006 E CB 0.094 29.828 29.700 0.057 0.000 0.952 1006 E HN 0.478 nan 8.360 nan 0.000 0.498 1007 T N -0.327 114.280 114.554 0.088 0.000 2.822 1007 T HA 0.020 4.370 4.350 0.000 0.000 0.288 1007 T C 0.465 175.224 174.700 0.099 0.000 0.991 1007 T CA -0.868 61.294 62.100 0.103 0.000 1.176 1007 T CB 0.253 69.183 68.868 0.104 0.000 0.951 1007 T HN 0.125 nan 8.240 nan 0.000 0.526 1008 V N 7.990 127.974 119.914 0.116 0.000 2.493 1008 V HA 0.184 4.304 4.120 0.000 0.000 0.292 1008 V C -1.265 174.893 176.094 0.107 0.000 1.016 1008 V CA -1.339 61.037 62.300 0.127 0.000 1.097 1008 V CB -0.273 31.657 31.823 0.179 0.000 0.947 1008 V HN 0.866 nan 8.190 nan 0.000 0.479 1009 P HA 0.236 nan 4.420 nan 0.000 0.271 1009 P C -0.679 176.613 177.300 -0.013 0.000 1.220 1009 P CA 0.102 63.231 63.100 0.048 0.000 0.768 1009 P CB 1.290 33.028 31.700 0.063 0.000 0.848 1010 V N 3.997 123.809 119.914 -0.171 0.000 3.019 1010 V HA 0.647 4.767 4.120 0.000 0.000 0.317 1010 V C 0.323 176.277 176.094 -0.233 0.000 1.094 1010 V CA -0.611 61.391 62.300 -0.497 0.000 1.000 1010 V CB 1.935 33.050 31.823 -1.181 0.000 1.060 1010 V HN 0.684 nan 8.190 nan 0.000 0.443 1011 K N 1.640 121.908 120.400 -0.220 0.000 2.546 1011 K HA 0.659 4.979 4.320 0.000 0.000 0.264 1011 K C -1.665 174.955 176.600 0.033 0.000 0.937 1011 K CA -0.886 55.413 56.287 0.019 0.000 0.833 1011 K CB 1.873 34.403 32.500 0.051 0.000 1.378 1011 K HN 0.438 nan 8.250 nan 0.000 0.432 1012 L N 1.630 122.892 121.223 0.065 0.000 2.475 1012 L HA 0.275 4.615 4.340 0.000 0.000 0.253 1012 L C 0.219 177.103 176.870 0.022 0.000 1.198 1012 L CA -0.723 54.123 54.840 0.009 0.000 0.814 1012 L CB 0.467 42.434 42.059 -0.155 0.000 1.134 1012 L HN 0.581 nan 8.230 nan 0.000 0.478 1013 K N 2.850 123.262 120.400 0.021 0.000 2.315 1013 K HA 0.174 4.494 4.320 0.000 0.000 0.291 1013 K C -2.170 174.438 176.600 0.013 0.000 1.074 1013 K CA -1.553 54.746 56.287 0.020 0.000 0.936 1013 K CB 0.071 32.583 32.500 0.019 0.000 1.049 1013 K HN 0.290 nan 8.250 nan 0.000 0.471 1014 P HA -0.162 nan 4.420 nan 0.000 0.266 1014 P C 0.615 177.928 177.300 0.021 0.000 1.180 1014 P CA 0.833 63.947 63.100 0.023 0.000 0.765 1014 P CB 0.552 32.268 31.700 0.027 0.000 0.806 1015 G N 0.830 109.646 108.800 0.026 0.000 2.157 1015 G HA2 -0.200 3.760 3.960 0.000 0.000 0.248 1015 G HA3 -0.200 3.760 3.960 0.000 0.000 0.248 1015 G C -0.055 174.861 174.900 0.026 0.000 0.979 1015 G CA 0.098 45.214 45.100 0.026 0.000 0.650 1015 G HN 0.540 nan 8.290 nan 0.000 0.529 1016 M N -0.324 119.289 119.600 0.021 0.000 2.484 1016 M HA 0.534 5.014 4.480 0.000 0.000 0.289 1016 M C -1.147 175.150 176.300 -0.004 0.000 1.206 1016 M CA -0.770 54.538 55.300 0.013 0.000 0.892 1016 M CB 2.299 34.902 32.600 0.004 0.000 1.712 1016 M HN 0.109 nan 8.290 nan 0.000 0.462 1017 D N 0.322 120.728 120.400 0.010 0.000 2.414 1017 D HA 0.658 5.298 4.640 0.000 0.000 0.241 1017 D C 0.113 176.356 176.300 -0.095 0.000 1.008 1017 D CA 0.073 54.085 54.000 0.020 0.000 1.001 1017 D CB 1.751 42.651 40.800 0.166 0.000 1.277 1017 D HN 0.704 nan 8.370 nan 0.000 0.538 1018 G N 0.411 109.056 108.800 -0.259 0.000 2.771 1018 G HA2 0.229 4.189 3.960 0.000 0.000 0.242 1018 G HA3 0.229 4.189 3.960 0.000 0.000 0.242 1018 G C -2.137 172.717 174.900 -0.077 0.000 1.233 1018 G CA -0.709 44.052 45.100 -0.565 0.000 0.858 1018 G HN 0.470 nan 8.290 nan 0.000 0.591 1019 P HA 0.282 nan 4.420 nan 0.000 0.278 1019 P C -0.986 176.461 177.300 0.245 0.000 1.238 1019 P CA -0.230 62.940 63.100 0.116 0.000 0.794 1019 P CB 1.227 32.985 31.700 0.096 0.000 0.955 1020 K N 1.692 122.208 120.400 0.193 0.000 3.029 1020 K HA 0.337 4.657 4.320 0.000 0.000 0.169 1020 K C -0.889 175.784 176.600 0.122 0.000 1.090 1020 K CA -0.483 55.905 56.287 0.167 0.000 0.883 1020 K CB 1.169 33.754 32.500 0.143 0.000 1.080 1020 K HN 0.184 nan 8.250 nan 0.000 0.613 1021 V N 1.808 121.795 119.914 0.121 0.000 2.407 1021 V HA 0.210 4.330 4.120 0.000 0.000 0.278 1021 V C 0.400 176.555 176.094 0.101 0.000 1.037 1021 V CA -0.796 61.573 62.300 0.115 0.000 0.900 1021 V CB 1.385 33.282 31.823 0.122 0.000 0.983 1021 V HN 0.418 nan 8.190 nan 0.000 0.459 1022 K N 2.895 123.358 120.400 0.106 0.000 2.414 1022 K HA 0.122 4.442 4.320 0.000 0.000 0.272 1022 K C 0.030 176.691 176.600 0.102 0.000 0.993 1022 K CA -0.273 56.065 56.287 0.085 0.000 0.964 1022 K CB 0.520 33.071 32.500 0.085 0.000 0.925 1022 K HN 0.695 nan 8.250 nan 0.000 0.487 1023 Q N 4.232 124.059 119.800 0.045 0.000 2.294 1023 Q HA 0.046 4.386 4.340 0.000 0.000 0.257 1023 Q C -1.352 174.686 176.000 0.063 0.000 0.955 1023 Q CA -0.345 55.468 55.803 0.016 0.000 0.936 1023 Q CB 0.562 29.274 28.738 -0.045 0.000 1.188 1023 Q HN 0.539 nan 8.270 nan 0.000 0.420 1024 W N 7.737 129.041 121.300 0.006 0.000 2.216 1024 W HA 0.249 4.909 4.660 0.000 0.000 0.326 1024 W C -2.226 174.306 176.519 0.021 0.000 1.319 1024 W CA -1.826 55.575 57.345 0.093 0.000 1.213 1024 W CB 0.779 30.420 29.460 0.301 0.000 1.171 1024 W HN 0.590 nan 8.180 nan 0.000 0.557 1025 P HA 0.042 nan 4.420 nan 0.000 0.265 1025 P C -0.780 176.510 177.300 -0.016 0.000 1.193 1025 P CA 0.632 63.581 63.100 -0.251 0.000 0.765 1025 P CB 0.982 32.440 31.700 -0.403 0.000 0.823 1026 L N 2.132 123.334 121.223 -0.034 0.000 2.322 1026 L HA 0.465 4.805 4.340 0.000 0.000 0.269 1026 L C 1.238 178.064 176.870 -0.074 0.000 1.012 1026 L CA -0.853 53.975 54.840 -0.020 0.000 0.815 1026 L CB 1.775 43.806 42.059 -0.047 0.000 1.295 1026 L HN 0.366 nan 8.230 nan 0.000 0.438 1027 T N -3.430 111.069 114.554 -0.091 0.000 2.899 1027 T HA 0.091 4.441 4.350 0.000 0.000 0.295 1027 T C 0.877 175.512 174.700 -0.109 0.000 1.033 1027 T CA -0.511 61.532 62.100 -0.094 0.000 1.084 1027 T CB 1.510 70.326 68.868 -0.085 0.000 0.979 1027 T HN 0.794 nan 8.240 nan 0.000 0.532 1028 E N 1.131 121.280 120.200 -0.085 0.000 2.065 1028 E HA -0.332 4.018 4.350 0.000 0.000 0.201 1028 E C 1.950 178.477 176.600 -0.122 0.000 1.016 1028 E CA 2.116 58.464 56.400 -0.087 0.000 0.818 1028 E CB -0.192 29.475 29.700 -0.055 0.000 0.749 1028 E HN 0.945 nan 8.360 nan 0.000 0.453 1029 E N 0.356 120.487 120.200 -0.115 0.000 2.204 1029 E HA -0.228 4.122 4.350 0.000 0.000 0.195 1029 E C 1.914 178.264 176.600 -0.417 0.000 0.990 1029 E CA 1.264 57.569 56.400 -0.158 0.000 0.821 1029 E CB -0.120 29.569 29.700 -0.018 0.000 0.750 1029 E HN 0.225 nan 8.360 nan 0.000 0.477 1030 K N 0.427 120.559 120.400 -0.446 0.000 2.116 1030 K HA 0.054 4.374 4.320 0.000 0.000 0.203 1030 K C 2.223 178.573 176.600 -0.417 0.000 1.052 1030 K CA 0.924 56.828 56.287 -0.637 0.000 0.952 1030 K CB -0.022 32.214 32.500 -0.440 0.000 0.729 1030 K HN 0.171 nan 8.250 nan 0.000 0.446 1031 I N 1.595 122.010 120.570 -0.258 0.000 2.142 1031 I HA -0.319 3.851 4.170 0.000 0.000 0.240 1031 I C 2.196 178.212 176.117 -0.169 0.000 1.078 1031 I CA 1.474 62.670 61.300 -0.173 0.000 1.343 1031 I CB -0.164 37.763 38.000 -0.121 0.000 1.046 1031 I HN 0.126 nan 8.210 nan 0.000 0.405 1032 K N 0.783 121.078 120.400 -0.175 0.000 2.009 1032 K HA -0.213 4.107 4.320 0.000 0.000 0.210 1032 K C 2.251 178.754 176.600 -0.162 0.000 1.049 1032 K CA 1.740 57.946 56.287 -0.135 0.000 0.929 1032 K CB -0.376 32.060 32.500 -0.107 0.000 0.714 1032 K HN 0.330 nan 8.250 nan 0.000 0.440 1033 A N 1.388 124.024 122.820 -0.305 0.000 1.892 1033 A HA -0.207 4.113 4.320 0.000 0.000 0.218 1033 A C 2.142 179.615 177.584 -0.185 0.000 1.188 1033 A CA 1.576 53.415 52.037 -0.329 0.000 0.631 1033 A CB -0.813 17.645 19.000 -0.904 0.000 0.822 1033 A HN 0.211 nan 8.150 nan 0.000 0.447 1034 L N -0.123 120.981 121.223 -0.198 0.000 2.046 1034 L HA -0.170 4.170 4.340 0.000 0.000 0.208 1034 L C 2.736 179.584 176.870 -0.036 0.000 1.077 1034 L CA 1.553 56.334 54.840 -0.099 0.000 0.747 1034 L CB -0.717 41.289 42.059 -0.088 0.000 0.896 1034 L HN 0.499 nan 8.230 nan 0.000 0.432 1035 V N -2.801 117.094 119.914 -0.031 0.000 2.427 1035 V HA -0.204 3.916 4.120 0.000 0.000 0.248 1035 V C 2.061 178.154 176.094 -0.002 0.000 1.051 1035 V CA 1.434 63.740 62.300 0.011 0.000 1.048 1035 V CB -0.561 31.264 31.823 0.003 0.000 0.666 1035 V HN 0.435 nan 8.190 nan 0.000 0.456 1036 E N 0.687 120.876 120.200 -0.019 0.000 2.012 1036 E HA -0.175 4.175 4.350 0.000 0.000 0.197 1036 E C 2.222 178.811 176.600 -0.018 0.000 1.007 1036 E CA 2.148 58.542 56.400 -0.010 0.000 0.816 1036 E CB -0.357 29.343 29.700 0.001 0.000 0.762 1036 E HN 0.662 nan 8.360 nan 0.000 0.451 1037 I N 0.825 121.381 120.570 -0.022 0.000 2.151 1037 I HA -0.369 3.801 4.170 0.000 0.000 0.243 1037 I C 2.577 178.644 176.117 -0.083 0.000 1.080 1037 I CA 0.970 62.248 61.300 -0.036 0.000 1.339 1037 I CB -0.317 37.668 38.000 -0.025 0.000 1.039 1037 I HN 0.267 nan 8.210 nan 0.000 0.409 1038 C N -0.038 119.208 119.300 -0.091 0.000 2.446 1038 C HA -0.103 4.357 4.460 0.000 0.000 0.279 1038 C C 2.964 177.842 174.990 -0.187 0.000 1.366 1038 C CA 1.226 60.119 59.018 -0.208 0.000 1.763 1038 C CB -1.076 26.554 27.740 -0.183 0.000 1.929 1038 C HN 0.516 nan 8.230 nan 0.000 0.509 1039 T N 0.108 114.626 114.554 -0.060 0.000 2.857 1039 T HA -0.160 4.190 4.350 0.000 0.000 0.266 1039 T C 1.763 176.434 174.700 -0.049 0.000 1.048 1039 T CA 1.468 63.556 62.100 -0.020 0.000 1.139 1039 T CB -0.169 68.702 68.868 0.005 0.000 0.874 1039 T HN 0.693 nan 8.240 nan 0.000 0.455 1040 E N 0.709 120.872 120.200 -0.061 0.000 2.046 1040 E HA -0.043 4.307 4.350 0.000 0.000 0.190 1040 E C 2.139 178.682 176.600 -0.095 0.000 0.982 1040 E CA 0.797 57.162 56.400 -0.059 0.000 0.800 1040 E CB -0.115 29.559 29.700 -0.043 0.000 0.756 1040 E HN 0.431 nan 8.360 nan 0.000 0.449 1041 M N 0.501 120.010 119.600 -0.152 0.000 2.267 1041 M HA -0.166 4.314 4.480 0.000 0.000 0.263 1041 M C 2.244 178.426 176.300 -0.196 0.000 1.063 1041 M CA 1.453 56.624 55.300 -0.216 0.000 1.090 1041 M CB -0.200 32.215 32.600 -0.309 0.000 1.392 1041 M HN 0.179 nan 8.290 nan 0.000 0.422 1042 E N 1.124 121.219 120.200 -0.175 0.000 2.046 1042 E HA -0.159 4.191 4.350 0.000 0.000 0.190 1042 E C 1.797 178.365 176.600 -0.054 0.000 0.982 1042 E CA 1.148 57.483 56.400 -0.109 0.000 0.800 1042 E CB 0.120 29.797 29.700 -0.038 0.000 0.756 1042 E HN 0.371 nan 8.360 nan 0.000 0.449 1043 K N 0.192 120.566 120.400 -0.044 0.000 2.211 1043 K HA -0.160 4.160 4.320 0.000 0.000 0.204 1043 K C 1.601 178.186 176.600 -0.024 0.000 1.047 1043 K CA 1.566 57.839 56.287 -0.024 0.000 0.935 1043 K CB -0.023 32.466 32.500 -0.019 0.000 0.728 1043 K HN 0.292 nan 8.250 nan 0.000 0.452 1044 E N -0.620 119.555 120.200 -0.042 0.000 2.479 1044 E HA 0.053 4.403 4.350 0.000 0.000 0.193 1044 E C 0.778 177.363 176.600 -0.026 0.000 1.049 1044 E CA 0.233 56.615 56.400 -0.030 0.000 0.870 1044 E CB 0.539 30.213 29.700 -0.043 0.000 0.944 1044 E HN 0.435 nan 8.360 nan 0.000 0.492 1045 G N 2.155 110.934 108.800 -0.035 0.000 2.168 1045 G HA2 -0.342 3.618 3.960 0.000 0.000 0.263 1045 G HA3 -0.342 3.618 3.960 0.000 0.000 0.263 1045 G C 1.090 175.973 174.900 -0.028 0.000 0.977 1045 G CA 0.703 45.791 45.100 -0.019 0.000 0.659 1045 G HN 0.122 nan 8.290 nan 0.000 0.533 1046 K N -0.194 120.155 120.400 -0.086 0.000 2.057 1046 K HA 0.062 4.382 4.320 0.000 0.000 0.207 1046 K C 1.637 178.162 176.600 -0.123 0.000 1.049 1046 K CA 1.816 58.040 56.287 -0.106 0.000 0.931 1046 K CB -0.185 32.141 32.500 -0.290 0.000 0.714 1046 K HN 0.905 nan 8.250 nan 0.000 0.440 1047 I N -3.394 117.047 120.570 -0.214 0.000 3.145 1047 I HA 0.401 4.571 4.170 0.000 0.000 0.313 1047 I C -0.813 175.253 176.117 -0.087 0.000 1.122 1047 I CA -0.973 60.183 61.300 -0.240 0.000 0.987 1047 I CB 2.540 40.248 38.000 -0.485 0.000 1.236 1047 I HN -0.324 nan 8.210 nan 0.000 0.453 1048 S N 1.023 116.733 115.700 0.016 0.000 2.546 1048 S HA 0.462 4.932 4.470 0.000 0.000 0.274 1048 S C -0.847 173.831 174.600 0.130 0.000 1.121 1048 S CA -1.030 57.219 58.200 0.081 0.000 0.887 1048 S CB 1.860 65.073 63.200 0.022 0.000 1.094 1048 S HN 0.508 nan 8.310 nan 0.000 0.474 1049 K N 1.696 122.127 120.400 0.052 0.000 2.380 1049 K HA 0.404 4.724 4.320 0.000 0.000 0.267 1049 K C -0.053 176.454 176.600 -0.154 0.000 0.990 1049 K CA 0.066 56.235 56.287 -0.197 0.000 0.946 1049 K CB 0.200 32.552 32.500 -0.247 0.000 0.937 1049 K HN 0.649 nan 8.250 nan 0.000 0.491 1050 I N -2.784 117.659 120.570 -0.211 0.000 3.074 1050 I HA 0.580 4.750 4.170 0.000 0.000 0.310 1050 I C 0.045 176.069 176.117 -0.156 0.000 1.153 1050 I CA -1.124 60.087 61.300 -0.149 0.000 0.993 1050 I CB 2.078 40.002 38.000 -0.127 0.000 1.237 1050 I HN 0.555 nan 8.210 nan 0.000 0.443 1051 G N 1.261 109.988 108.800 -0.120 0.000 2.557 1051 G HA2 0.545 4.505 3.960 0.000 0.000 0.302 1051 G HA3 0.545 4.505 3.960 0.000 0.000 0.302 1051 G C -1.799 173.033 174.900 -0.112 0.000 1.311 1051 G CA -1.288 43.744 45.100 -0.113 0.000 1.030 1051 G HN 0.604 nan 8.290 nan 0.000 0.509 1052 P HA -0.077 nan 4.420 nan 0.000 0.230 1052 P C 1.300 178.538 177.300 -0.104 0.000 1.158 1052 P CA 0.939 63.978 63.100 -0.102 0.000 0.769 1052 P CB 0.199 31.846 31.700 -0.089 0.000 0.807 1053 E N -0.139 120.003 120.200 -0.096 0.000 2.333 1053 E HA -0.146 4.204 4.350 0.000 0.000 0.198 1053 E C 0.572 177.097 176.600 -0.124 0.000 1.007 1053 E CA 0.578 56.920 56.400 -0.097 0.000 0.845 1053 E CB -0.936 28.717 29.700 -0.078 0.000 0.766 1053 E HN 0.169 nan 8.360 nan 0.000 0.507 1054 N N 2.416 121.040 118.700 -0.126 0.000 2.406 1054 N HA 0.075 4.815 4.740 0.000 0.000 0.251 1054 N C -1.816 173.565 175.510 -0.215 0.000 1.069 1054 N CA -1.738 51.225 53.050 -0.145 0.000 0.947 1054 N CB 1.423 39.863 38.487 -0.078 0.000 1.111 1054 N HN -0.035 nan 8.380 nan 0.000 0.497 1055 P HA 0.098 nan 4.420 nan 0.000 0.262 1055 P C -0.649 176.396 177.300 -0.426 0.000 1.304 1055 P CA 0.091 62.936 63.100 -0.425 0.000 0.859 1055 P CB 0.067 31.478 31.700 -0.482 0.000 1.310 1056 Y N 0.842 121.140 120.300 -0.005 0.000 2.374 1056 Y HA 0.572 5.122 4.550 0.000 0.000 0.322 1056 Y C 0.873 176.787 175.900 0.023 0.000 1.275 1056 Y CA -0.696 57.420 58.100 0.027 0.000 1.307 1056 Y CB 0.640 39.133 38.460 0.055 0.000 1.282 1056 Y HN -0.136 nan 8.280 nan 0.000 0.509 1057 N N -1.005 117.844 118.700 0.249 0.000 2.647 1057 N HA 0.387 5.127 4.740 0.000 0.000 0.259 1057 N C -1.921 173.679 175.510 0.151 0.000 1.098 1057 N CA -0.358 52.786 53.050 0.157 0.000 0.984 1057 N CB 1.639 40.180 38.487 0.090 0.000 1.683 1057 N HN 0.553 nan 8.380 nan 0.000 0.501 1058 T N 3.403 118.041 114.554 0.139 0.000 2.881 1058 T HA 0.568 4.918 4.350 0.000 0.000 0.290 1058 T C -2.803 171.897 174.700 -0.001 0.000 1.000 1058 T CA -0.983 61.159 62.100 0.070 0.000 0.978 1058 T CB 2.038 70.935 68.868 0.049 0.000 0.997 1058 T HN 0.347 nan 8.240 nan 0.000 0.443 1059 P HA 0.379 nan 4.420 nan 0.000 0.274 1059 P C -0.885 176.176 177.300 -0.398 0.000 1.231 1059 P CA -0.380 62.595 63.100 -0.208 0.000 0.790 1059 P CB 0.827 32.426 31.700 -0.168 0.000 0.951 1060 V N -1.130 118.439 119.914 -0.575 0.000 2.962 1060 V HA 0.755 4.875 4.120 0.000 0.000 0.313 1060 V C -0.715 174.899 176.094 -0.801 0.000 1.099 1060 V CA -0.812 61.168 62.300 -0.534 0.000 0.971 1060 V CB 1.636 33.275 31.823 -0.307 0.000 1.028 1060 V HN 0.415 nan 8.190 nan 0.000 0.430 1061 F N 0.267 120.151 119.950 -0.110 0.000 2.824 1061 F HA 0.968 5.495 4.527 0.000 0.000 0.330 1061 F C 0.164 175.877 175.800 -0.146 0.000 1.175 1061 F CA -0.495 57.414 58.000 -0.150 0.000 0.974 1061 F CB 1.904 40.759 39.000 -0.241 0.000 1.430 1061 F HN 0.889 nan 8.300 nan 0.000 0.507 1062 A N 1.374 124.233 122.820 0.066 0.000 2.408 1062 A HA 0.826 5.146 4.320 0.000 0.000 0.295 1062 A C -1.070 176.625 177.584 0.185 0.000 1.040 1062 A CA -0.527 51.535 52.037 0.043 0.000 0.707 1062 A CB 0.854 19.739 19.000 -0.192 0.000 1.235 1062 A HN 0.739 nan 8.150 nan 0.000 0.418 1063 I N -1.279 119.449 120.570 0.264 0.000 3.133 1063 I HA 0.722 4.892 4.170 0.000 0.000 0.311 1063 I C -0.590 175.656 176.117 0.215 0.000 1.072 1063 I CA -1.201 60.239 61.300 0.233 0.000 1.015 1063 I CB 1.828 39.896 38.000 0.113 0.000 1.233 1063 I HN 0.250 nan 8.210 nan 0.000 0.473 1064 K N 2.245 122.630 120.400 -0.026 0.000 2.138 1064 K HA 0.388 4.708 4.320 0.000 0.000 0.263 1064 K C 0.186 176.705 176.600 -0.134 0.000 0.965 1064 K CA -0.672 55.479 56.287 -0.227 0.000 0.868 1064 K CB 2.222 34.498 32.500 -0.373 0.000 1.083 1064 K HN 0.637 nan 8.250 nan 0.000 0.443 1065 K N 1.478 121.791 120.400 -0.144 0.000 1.981 1065 K HA -0.192 4.128 4.320 0.000 0.000 0.227 1065 K C 0.709 177.243 176.600 -0.109 0.000 1.030 1065 K CA 1.494 57.714 56.287 -0.111 0.000 1.042 1065 K CB -0.096 32.334 32.500 -0.116 0.000 0.749 1065 K HN 0.149 nan 8.250 nan 0.000 0.445 1066 K N 0.775 121.119 120.400 -0.094 0.000 3.163 1066 K HA 0.097 4.417 4.320 0.000 0.000 0.186 1066 K C -1.551 174.998 176.600 -0.085 0.000 1.111 1066 K CA 0.236 56.467 56.287 -0.094 0.000 0.918 1066 K CB -0.067 32.388 32.500 -0.075 0.000 1.059 1066 K HN 0.370 nan 8.250 nan 0.000 0.558 1067 D N -1.415 118.916 120.400 -0.115 0.000 2.748 1067 D HA -0.192 4.448 4.640 0.000 0.000 0.189 1067 D C -0.555 175.656 176.300 -0.149 0.000 0.982 1067 D CA 1.431 55.356 54.000 -0.124 0.000 1.017 1067 D CB -1.126 39.628 40.800 -0.077 0.000 1.076 1067 D HN 0.376 nan 8.370 nan 0.000 0.446 1068 S N 0.194 115.813 115.700 -0.135 0.000 2.544 1068 S HA 0.168 4.638 4.470 0.000 0.000 0.290 1068 S C 1.672 176.137 174.600 -0.225 0.000 1.276 1068 S CA 0.816 58.940 58.200 -0.128 0.000 1.075 1068 S CB 0.721 63.872 63.200 -0.082 0.000 0.849 1068 S HN 0.329 nan 8.310 nan 0.000 0.494 1069 T N 2.095 116.531 114.554 -0.196 0.000 3.118 1069 T HA -0.058 4.292 4.350 0.000 0.000 0.269 1069 T C 0.540 175.060 174.700 -0.300 0.000 1.166 1069 T CA 0.775 62.719 62.100 -0.261 0.000 1.073 1069 T CB -0.339 68.443 68.868 -0.143 0.000 0.884 1069 T HN 0.591 nan 8.240 nan 0.000 0.550 1070 K N 0.878 121.133 120.400 -0.241 0.000 2.268 1070 K HA 0.301 4.621 4.320 0.000 0.000 0.276 1070 K C -0.811 175.688 176.600 -0.168 0.000 1.080 1070 K CA -0.950 55.242 56.287 -0.160 0.000 0.910 1070 K CB 0.368 32.795 32.500 -0.121 0.000 1.163 1070 K HN 0.357 nan 8.250 nan 0.000 0.465 1071 W N 3.170 124.438 121.300 -0.053 0.000 2.148 1071 W HA 0.131 4.791 4.660 0.000 0.000 0.347 1071 W C 0.925 177.410 176.519 -0.057 0.000 1.288 1071 W CA -0.276 57.038 57.345 -0.052 0.000 1.252 1071 W CB 0.494 29.930 29.460 -0.040 0.000 1.156 1071 W HN 0.284 nan 8.180 nan 0.000 0.580 1072 R N 2.943 123.597 120.500 0.256 0.000 2.686 1072 R HA 0.261 4.601 4.340 0.000 0.000 0.283 1072 R C -0.979 175.399 176.300 0.129 0.000 0.978 1072 R CA -0.972 55.205 56.100 0.129 0.000 0.897 1072 R CB 1.832 32.168 30.300 0.060 0.000 1.192 1072 R HN 0.537 nan 8.270 nan 0.000 0.457 1073 K N 3.752 124.204 120.400 0.086 0.000 2.258 1073 K HA 0.208 4.528 4.320 0.000 0.000 0.284 1073 K C -1.077 175.557 176.600 0.056 0.000 1.051 1073 K CA -0.469 55.843 56.287 0.043 0.000 0.923 1073 K CB 0.655 33.157 32.500 0.004 0.000 1.046 1073 K HN 0.327 nan 8.250 nan 0.000 0.474 1074 L N 5.460 126.712 121.223 0.047 0.000 2.349 1074 L HA 0.355 4.695 4.340 0.000 0.000 0.278 1074 L C -1.473 175.410 176.870 0.022 0.000 0.996 1074 L CA -0.600 54.289 54.840 0.082 0.000 0.825 1074 L CB 1.847 43.988 42.059 0.137 0.000 1.243 1074 L HN 0.322 nan 8.230 nan 0.000 0.412 1075 V N 3.499 123.370 119.914 -0.072 0.000 2.398 1075 V HA 0.330 4.450 4.120 0.000 0.000 0.286 1075 V C -0.472 175.469 176.094 -0.256 0.000 1.026 1075 V CA -0.679 61.423 62.300 -0.330 0.000 0.868 1075 V CB 1.528 32.899 31.823 -0.754 0.000 0.982 1075 V HN 0.743 nan 8.190 nan 0.000 0.443 1076 D N 3.580 123.895 120.400 -0.142 0.000 2.435 1076 D HA 0.202 4.842 4.640 0.000 0.000 0.230 1076 D C 0.108 176.368 176.300 -0.066 0.000 1.215 1076 D CA -0.149 53.873 54.000 0.037 0.000 0.947 1076 D CB 0.167 41.133 40.800 0.277 0.000 1.048 1076 D HN 0.362 nan 8.370 nan 0.000 0.512 1077 F N 2.161 122.180 119.950 0.115 0.000 2.663 1077 F HA 0.286 4.813 4.527 0.000 0.000 0.299 1077 F C 2.028 177.890 175.800 0.102 0.000 1.143 1077 F CA -0.305 57.760 58.000 0.108 0.000 1.387 1077 F CB -0.020 39.065 39.000 0.142 0.000 1.019 1077 F HN 0.277 nan 8.300 nan 0.000 0.523 1078 R N 0.127 120.752 120.500 0.208 0.000 2.096 1078 R HA -0.181 4.159 4.340 0.000 0.000 0.240 1078 R C 2.099 178.491 176.300 0.153 0.000 1.139 1078 R CA 1.567 57.743 56.100 0.126 0.000 0.952 1078 R CB -0.182 30.116 30.300 -0.003 0.000 0.854 1078 R HN 0.166 nan 8.270 nan 0.000 0.436 1079 E N 0.731 121.021 120.200 0.150 0.000 2.031 1079 E HA -0.197 4.153 4.350 0.000 0.000 0.193 1079 E C 1.988 178.696 176.600 0.180 0.000 0.994 1079 E CA 0.995 57.482 56.400 0.144 0.000 0.800 1079 E CB -0.381 29.394 29.700 0.124 0.000 0.752 1079 E HN 0.116 nan 8.360 nan 0.000 0.447 1080 L N 2.076 123.433 121.223 0.224 0.000 2.012 1080 L HA -0.193 4.147 4.340 0.000 0.000 0.210 1080 L C 1.658 178.735 176.870 0.346 0.000 1.073 1080 L CA 1.722 56.695 54.840 0.221 0.000 0.748 1080 L CB -0.735 41.445 42.059 0.201 0.000 0.891 1080 L HN 0.048 nan 8.230 nan 0.000 0.431 1081 N N -0.190 118.732 118.700 0.370 0.000 2.272 1081 N HA -0.228 4.512 4.740 0.000 0.000 0.185 1081 N C 1.854 177.690 175.510 0.543 0.000 1.014 1081 N CA 1.270 54.546 53.050 0.377 0.000 0.870 1081 N CB -0.168 38.367 38.487 0.079 0.000 0.975 1081 N HN 0.411 nan 8.380 nan 0.000 0.433 1082 K N 0.627 121.239 120.400 0.353 0.000 2.167 1082 K HA 0.128 4.448 4.320 0.000 0.000 0.203 1082 K C 1.418 178.151 176.600 0.223 0.000 1.052 1082 K CA 0.626 57.083 56.287 0.284 0.000 0.956 1082 K CB 0.266 32.873 32.500 0.180 0.000 0.735 1082 K HN 0.096 nan 8.250 nan 0.000 0.451 1083 R N -1.002 119.620 120.500 0.205 0.000 2.334 1083 R HA 0.088 4.428 4.340 0.000 0.000 0.220 1083 R C 0.555 176.957 176.300 0.169 0.000 0.917 1083 R CA 0.584 56.759 56.100 0.126 0.000 1.073 1083 R CB 0.601 30.926 30.300 0.042 0.000 1.056 1083 R HN -0.014 nan 8.270 nan 0.000 0.506 1084 T N -0.103 114.646 114.554 0.324 0.000 3.058 1084 T HA -0.008 4.342 4.350 0.000 0.000 0.278 1084 T C 1.282 176.163 174.700 0.301 0.000 0.974 1084 T CA -0.217 62.129 62.100 0.410 0.000 0.893 1084 T CB 0.667 69.960 68.868 0.708 0.000 1.138 1084 T HN 0.185 nan 8.240 nan 0.000 0.529 1085 Q N 1.736 121.627 119.800 0.151 0.000 2.156 1085 Q HA -0.285 4.055 4.340 0.000 0.000 0.211 1085 Q C 1.778 177.329 176.000 -0.749 0.000 0.995 1085 Q CA 2.509 57.947 55.803 -0.608 0.000 0.877 1085 Q CB -0.148 28.418 28.738 -0.287 0.000 0.920 1085 Q HN 0.484 nan 8.270 nan 0.000 0.416 1086 D N -0.740 119.492 120.400 -0.279 0.000 2.103 1086 D HA -0.230 4.410 4.640 0.000 0.000 0.190 1086 D C 1.496 177.696 176.300 -0.167 0.000 0.997 1086 D CA 1.657 55.543 54.000 -0.189 0.000 0.833 1086 D CB -0.475 40.296 40.800 -0.048 0.000 0.961 1086 D HN 0.375 nan 8.370 nan 0.000 0.447 1087 F N 1.362 121.195 119.950 -0.194 0.000 2.008 1087 F HA -0.228 4.299 4.527 0.000 0.000 0.297 1087 F C 2.224 177.943 175.800 -0.135 0.000 1.156 1087 F CA 2.749 60.681 58.000 -0.114 0.000 1.191 1087 F CB -1.003 37.995 39.000 -0.003 0.000 0.955 1087 F HN 0.355 nan 8.300 nan 0.000 0.497 1088 W N 0.637 121.850 121.300 -0.144 0.000 2.595 1088 W HA -0.005 4.655 4.660 0.000 0.000 0.257 1088 W C 1.729 178.133 176.519 -0.192 0.000 1.267 1088 W CA 0.975 58.135 57.345 -0.309 0.000 1.300 1088 W CB -1.207 28.095 29.460 -0.264 0.000 1.120 1088 W HN 0.383 nan 8.180 nan 0.000 0.618 1089 E N 1.674 121.480 120.200 -0.657 0.000 2.099 1089 E HA -0.128 4.222 4.350 0.000 0.000 0.191 1089 E C 2.344 178.785 176.600 -0.265 0.000 0.962 1089 E CA 1.568 57.659 56.400 -0.515 0.000 0.826 1089 E CB -0.022 29.176 29.700 -0.836 0.000 0.788 1089 E HN 0.051 nan 8.360 nan 0.000 0.461 1090 V N -1.343 118.409 119.914 -0.269 0.000 2.635 1090 V HA 0.010 4.130 4.120 0.000 0.000 0.233 1090 V C 2.364 178.363 176.094 -0.158 0.000 1.097 1090 V CA 1.097 63.294 62.300 -0.171 0.000 1.134 1090 V CB -0.933 30.803 31.823 -0.145 0.000 0.841 1090 V HN 0.222 nan 8.190 nan 0.000 0.496 1091 Q N 0.209 119.903 119.800 -0.177 0.000 2.062 1091 Q HA -0.136 4.204 4.340 0.000 0.000 0.209 1091 Q C 1.382 177.244 176.000 -0.230 0.000 0.996 1091 Q CA 2.789 58.485 55.803 -0.178 0.000 0.859 1091 Q CB -0.119 28.517 28.738 -0.170 0.000 0.920 1091 Q HN 0.752 nan 8.270 nan 0.000 0.415 1092 L N 0.149 121.171 121.223 -0.335 0.000 3.288 1092 L HA 0.401 4.741 4.340 0.000 0.000 0.293 1092 L C 0.459 177.218 176.870 -0.185 0.000 1.294 1092 L CA -0.577 54.083 54.840 -0.300 0.000 1.006 1092 L CB 0.764 42.527 42.059 -0.492 0.000 1.407 1092 L HN 0.120 nan 8.230 nan 0.000 0.592 1093 G N 0.923 109.650 108.800 -0.121 0.000 2.562 1093 G HA2 0.286 4.246 3.960 0.000 0.000 0.233 1093 G HA3 0.286 4.246 3.960 0.000 0.000 0.233 1093 G C -0.281 174.636 174.900 0.027 0.000 1.266 1093 G CA -0.011 45.076 45.100 -0.022 0.000 0.852 1093 G HN 0.192 nan 8.290 nan 0.000 0.581 1094 I N 2.185 122.820 120.570 0.108 0.000 2.404 1094 I HA 0.248 4.418 4.170 0.000 0.000 0.293 1094 I C -1.923 174.329 176.117 0.226 0.000 0.992 1094 I CA -1.837 59.553 61.300 0.151 0.000 1.149 1094 I CB 2.172 40.277 38.000 0.175 0.000 1.315 1094 I HN 0.297 nan 8.210 nan 0.000 0.446 1095 P HA 0.117 nan 4.420 nan 0.000 0.271 1095 P C -0.923 176.481 177.300 0.174 0.000 1.218 1095 P CA -0.128 63.065 63.100 0.155 0.000 0.780 1095 P CB 0.380 32.130 31.700 0.084 0.000 0.901 1096 H N 3.972 123.003 119.070 -0.064 0.000 2.595 1096 H HA 0.259 4.815 4.556 0.000 0.000 0.313 1096 H C -2.240 172.896 175.328 -0.319 0.000 1.023 1096 H CA -2.087 53.714 56.048 -0.411 0.000 1.218 1096 H CB 1.032 30.577 29.762 -0.362 0.000 1.403 1096 H HN 0.308 nan 8.280 nan 0.000 0.477 1097 P HA 0.096 nan 4.420 nan 0.000 0.271 1097 P C 0.381 177.339 177.300 -0.571 0.000 1.220 1097 P CA -0.245 62.560 63.100 -0.491 0.000 0.768 1097 P CB 1.232 32.730 31.700 -0.337 0.000 0.848 1098 A N 3.489 126.157 122.820 -0.253 0.000 2.119 1098 A HA 0.069 4.389 4.320 0.000 0.000 0.216 1098 A C 2.156 179.649 177.584 -0.151 0.000 1.152 1098 A CA 1.382 53.333 52.037 -0.144 0.000 0.708 1098 A CB -1.047 17.931 19.000 -0.037 0.000 0.805 1098 A HN 0.640 nan 8.150 nan 0.000 0.460 1099 G N -0.128 108.576 108.800 -0.161 0.000 2.421 1099 G HA2 -0.079 3.881 3.960 0.000 0.000 0.217 1099 G HA3 -0.079 3.881 3.960 0.000 0.000 0.217 1099 G C 1.398 176.209 174.900 -0.147 0.000 1.143 1099 G CA 0.963 45.987 45.100 -0.126 0.000 0.784 1099 G HN 0.429 nan 8.290 nan 0.000 0.541 1100 L N 1.738 122.842 121.223 -0.199 0.000 2.021 1100 L HA -0.163 4.177 4.340 0.000 0.000 0.215 1100 L C 2.914 179.670 176.870 -0.189 0.000 1.074 1100 L CA 2.709 57.439 54.840 -0.182 0.000 0.760 1100 L CB -0.398 41.519 42.059 -0.238 0.000 0.889 1100 L HN 0.477 nan 8.230 nan 0.000 0.433 1101 K N -1.167 119.117 120.400 -0.194 0.000 2.442 1101 K HA -0.153 4.167 4.320 0.000 0.000 0.198 1101 K C 1.569 178.046 176.600 -0.205 0.000 1.042 1101 K CA 1.398 57.565 56.287 -0.200 0.000 0.958 1101 K CB -0.266 32.136 32.500 -0.163 0.000 0.766 1101 K HN 0.345 nan 8.250 nan 0.000 0.474 1102 K N 0.460 120.761 120.400 -0.166 0.000 2.353 1102 K HA 0.130 4.450 4.320 0.000 0.000 0.195 1102 K C -0.104 176.405 176.600 -0.151 0.000 1.031 1102 K CA -0.336 55.866 56.287 -0.141 0.000 1.079 1102 K CB 0.210 32.653 32.500 -0.096 0.000 0.857 1102 K HN 0.134 nan 8.250 nan 0.000 0.535 1103 N N 1.877 120.474 118.700 -0.172 0.000 2.453 1103 N HA -0.005 4.735 4.740 0.000 0.000 0.253 1103 N C 0.736 176.130 175.510 -0.194 0.000 1.252 1103 N CA 0.409 53.363 53.050 -0.160 0.000 0.917 1103 N CB 0.925 39.325 38.487 -0.145 0.000 1.117 1103 N HN 0.008 nan 8.380 nan 0.000 0.442 1104 K N 0.222 120.529 120.400 -0.155 0.000 2.103 1104 K HA 0.048 4.368 4.320 0.000 0.000 0.204 1104 K C 0.042 176.571 176.600 -0.118 0.000 1.052 1104 K CA 0.838 57.044 56.287 -0.134 0.000 0.945 1104 K CB 0.185 32.622 32.500 -0.105 0.000 0.722 1104 K HN 0.359 nan 8.250 nan 0.000 0.443 1105 S N -0.028 115.522 115.700 -0.251 0.000 2.540 1105 S HA 0.438 4.908 4.470 0.000 0.000 0.275 1105 S C -1.214 173.140 174.600 -0.408 0.000 1.123 1105 S CA -0.869 57.085 58.200 -0.411 0.000 0.907 1105 S CB 2.808 65.588 63.200 -0.701 0.000 1.081 1105 S HN -0.153 nan 8.310 nan 0.000 0.476 1106 V N 2.400 122.123 119.914 -0.319 0.000 2.569 1106 V HA 0.482 4.602 4.120 0.000 0.000 0.301 1106 V C -0.484 175.570 176.094 -0.067 0.000 1.044 1106 V CA -0.524 61.716 62.300 -0.101 0.000 0.874 1106 V CB 2.064 33.851 31.823 -0.061 0.000 1.002 1106 V HN 0.931 nan 8.190 nan 0.000 0.424 1107 T N 4.374 118.976 114.554 0.080 0.000 2.795 1107 T HA 0.526 4.876 4.350 0.000 0.000 0.282 1107 T C -0.194 174.440 174.700 -0.111 0.000 0.980 1107 T CA -0.347 61.752 62.100 -0.002 0.000 1.012 1107 T CB 1.596 70.521 68.868 0.096 0.000 0.936 1107 T HN 0.345 nan 8.240 nan 0.000 0.457 1108 V N 5.489 125.265 119.914 -0.231 0.000 2.364 1108 V HA 0.402 4.522 4.120 0.000 0.000 0.272 1108 V C -0.136 175.880 176.094 -0.129 0.000 1.036 1108 V CA -0.658 61.461 62.300 -0.300 0.000 0.880 1108 V CB 0.567 32.219 31.823 -0.285 0.000 0.991 1108 V HN 0.696 nan 8.190 nan 0.000 0.460 1109 L N 3.861 124.979 121.223 -0.175 0.000 2.322 1109 L HA 0.537 4.877 4.340 0.000 0.000 0.281 1109 L C -0.228 176.574 176.870 -0.113 0.000 1.014 1109 L CA -0.628 54.150 54.840 -0.104 0.000 0.815 1109 L CB 1.883 43.877 42.059 -0.108 0.000 1.247 1109 L HN 0.514 nan 8.230 nan 0.000 0.421 1110 D N 2.570 122.929 120.400 -0.069 0.000 2.317 1110 D HA 0.216 4.856 4.640 0.000 0.000 0.252 1110 D C 0.350 176.573 176.300 -0.129 0.000 1.174 1110 D CA -0.199 53.754 54.000 -0.079 0.000 0.866 1110 D CB 1.670 42.450 40.800 -0.033 0.000 1.127 1110 D HN 0.291 nan 8.370 nan 0.000 0.467 1111 V N 1.950 121.739 119.914 -0.209 0.000 3.070 1111 V HA 0.458 4.578 4.120 0.000 0.000 0.345 1111 V C 1.530 177.266 176.094 -0.597 0.000 1.403 1111 V CA 0.251 62.356 62.300 -0.326 0.000 1.155 1111 V CB 0.406 32.042 31.823 -0.312 0.000 1.140 1111 V HN 0.466 nan 8.190 nan 0.000 0.505 1112 G N 0.982 109.493 108.800 -0.481 0.000 2.418 1112 G HA2 -0.198 3.762 3.960 0.000 0.000 0.217 1112 G HA3 -0.198 3.762 3.960 0.000 0.000 0.217 1112 G C 0.936 175.371 174.900 -0.774 0.000 1.158 1112 G CA 1.252 45.981 45.100 -0.617 0.000 0.771 1112 G HN 0.532 nan 8.290 nan 0.000 0.545 1113 D N 1.004 121.104 120.400 -0.500 0.000 2.311 1113 D HA -0.023 4.617 4.640 0.000 0.000 0.212 1113 D C 2.599 178.619 176.300 -0.468 0.000 0.972 1113 D CA 0.946 54.694 54.000 -0.421 0.000 0.887 1113 D CB -0.297 40.463 40.800 -0.067 0.000 0.915 1113 D HN 0.353 nan 8.370 nan 0.000 0.497 1114 A N -0.196 122.261 122.820 -0.604 0.000 2.015 1114 A HA -0.167 4.153 4.320 0.000 0.000 0.219 1114 A C 1.826 179.048 177.584 -0.603 0.000 1.163 1114 A CA 0.747 52.445 52.037 -0.565 0.000 0.646 1114 A CB -0.922 17.615 19.000 -0.772 0.000 0.806 1114 A HN 0.368 nan 8.150 nan 0.000 0.448 1115 Y N -1.798 118.102 120.300 -0.666 0.000 2.421 1115 Y HA -0.152 4.398 4.550 0.000 0.000 0.292 1115 Y C 1.363 177.192 175.900 -0.119 0.000 1.136 1115 Y CA 0.188 58.005 58.100 -0.471 0.000 1.255 1115 Y CB -0.198 37.980 38.460 -0.469 0.000 0.991 1115 Y HN 0.335 nan 8.280 nan 0.000 0.552 1116 F N -0.758 119.281 119.950 0.149 0.000 2.816 1116 F HA -0.052 4.475 4.527 0.000 0.000 0.302 1116 F C 1.865 177.762 175.800 0.161 0.000 1.178 1116 F CA -0.001 58.097 58.000 0.165 0.000 1.421 1116 F CB -0.792 38.288 39.000 0.134 0.000 1.114 1116 F HN -0.060 nan 8.300 nan 0.000 0.573 1117 S N -1.005 114.884 115.700 0.315 0.000 2.421 1117 S HA 0.081 4.551 4.470 0.000 0.000 0.224 1117 S C 0.861 175.629 174.600 0.281 0.000 1.035 1117 S CA 0.076 58.447 58.200 0.284 0.000 0.953 1117 S CB 0.034 63.416 63.200 0.304 0.000 0.810 1117 S HN -0.017 nan 8.310 nan 0.000 0.497 1118 V N 4.678 124.783 119.914 0.319 0.000 2.567 1118 V HA 0.355 4.475 4.120 0.000 0.000 0.289 1118 V C -2.257 173.993 176.094 0.260 0.000 1.049 1118 V CA -2.104 60.368 62.300 0.286 0.000 0.969 1118 V CB 0.961 32.985 31.823 0.335 0.000 0.995 1118 V HN 0.183 nan 8.190 nan 0.000 0.471 1119 P HA 0.418 nan 4.420 nan 0.000 0.282 1119 P C -1.120 176.296 177.300 0.193 0.000 1.259 1119 P CA -0.626 62.590 63.100 0.194 0.000 0.826 1119 P CB 1.999 33.791 31.700 0.152 0.000 1.064 1120 L N 1.596 122.933 121.223 0.190 0.000 2.322 1120 L HA 0.414 4.754 4.340 0.000 0.000 0.279 1120 L C -0.039 176.922 176.870 0.151 0.000 1.036 1120 L CA -0.492 54.458 54.840 0.183 0.000 0.807 1120 L CB 0.628 42.807 42.059 0.201 0.000 1.226 1120 L HN 0.284 nan 8.230 nan 0.000 0.433 1121 D N 2.462 122.941 120.400 0.131 0.000 2.581 1121 D HA -0.085 4.555 4.640 0.000 0.000 0.238 1121 D C 1.083 177.459 176.300 0.126 0.000 1.145 1121 D CA 0.552 54.620 54.000 0.114 0.000 0.866 1121 D CB 0.933 41.787 40.800 0.090 0.000 1.151 1121 D HN 0.636 nan 8.370 nan 0.000 0.500 1122 E N 3.087 123.342 120.200 0.093 0.000 2.171 1122 E HA -0.248 4.102 4.350 0.000 0.000 0.197 1122 E C 0.597 177.225 176.600 0.047 0.000 0.997 1122 E CA 1.071 57.511 56.400 0.067 0.000 0.810 1122 E CB -0.181 29.549 29.700 0.049 0.000 0.738 1122 E HN 0.632 nan 8.360 nan 0.000 0.467 1123 D N -0.447 119.993 120.400 0.067 0.000 2.363 1123 D HA -0.025 4.615 4.640 0.000 0.000 0.226 1123 D C 0.876 177.215 176.300 0.064 0.000 1.020 1123 D CA 0.355 54.383 54.000 0.046 0.000 0.892 1123 D CB -0.143 40.700 40.800 0.073 0.000 0.900 1123 D HN 0.179 nan 8.370 nan 0.000 0.531 1124 F N 0.754 120.662 119.950 -0.070 0.000 2.724 1124 F HA 0.193 4.720 4.527 0.000 0.000 0.306 1124 F C 1.891 177.615 175.800 -0.126 0.000 1.100 1124 F CA -0.187 57.780 58.000 -0.055 0.000 1.255 1124 F CB 0.338 39.304 39.000 -0.057 0.000 1.072 1124 F HN -0.287 nan 8.300 nan 0.000 0.589 1125 R N 1.129 121.589 120.500 -0.067 0.000 2.105 1125 R HA -0.179 4.161 4.340 0.000 0.000 0.239 1125 R C 2.122 178.307 176.300 -0.191 0.000 1.135 1125 R CA 1.861 57.910 56.100 -0.084 0.000 0.967 1125 R CB -0.559 29.750 30.300 0.015 0.000 0.861 1125 R HN 0.364 nan 8.270 nan 0.000 0.442 1126 K N -0.049 120.167 120.400 -0.307 0.000 2.211 1126 K HA -0.171 4.149 4.320 0.000 0.000 0.204 1126 K C 1.038 177.470 176.600 -0.280 0.000 1.047 1126 K CA 1.509 57.637 56.287 -0.265 0.000 0.935 1126 K CB -0.274 32.050 32.500 -0.295 0.000 0.728 1126 K HN 0.196 nan 8.250 nan 0.000 0.452 1127 Y N 2.329 122.349 120.300 -0.467 0.000 2.561 1127 Y HA -0.026 4.524 4.550 0.000 0.000 0.291 1127 Y C 2.020 177.680 175.900 -0.400 0.000 1.141 1127 Y CA 1.027 58.713 58.100 -0.689 0.000 1.303 1127 Y CB -0.251 37.535 38.460 -1.124 0.000 1.015 1127 Y HN 0.309 nan 8.280 nan 0.000 0.547 1128 T N -2.391 112.099 114.554 -0.107 0.000 3.206 1128 T HA 0.540 4.890 4.350 0.000 0.000 0.253 1128 T C 0.701 175.626 174.700 0.376 0.000 1.042 1128 T CA -0.125 62.082 62.100 0.178 0.000 0.931 1128 T CB -0.646 68.339 68.868 0.196 0.000 1.029 1128 T HN 0.171 nan 8.240 nan 0.000 0.564 1129 A N 1.863 124.823 122.820 0.232 0.000 2.477 1129 A HA 0.570 4.890 4.320 0.000 0.000 0.246 1129 A C -0.053 177.693 177.584 0.271 0.000 1.078 1129 A CA -0.564 51.587 52.037 0.191 0.000 0.770 1129 A CB -0.428 18.631 19.000 0.099 0.000 1.011 1129 A HN 0.741 nan 8.150 nan 0.000 0.494 1130 F N -0.341 119.663 119.950 0.090 0.000 2.640 1130 F HA 0.874 5.401 4.527 0.000 0.000 0.324 1130 F C -0.264 175.547 175.800 0.019 0.000 1.077 1130 F CA -0.985 57.037 58.000 0.036 0.000 0.965 1130 F CB 1.408 40.419 39.000 0.019 0.000 1.351 1130 F HN 0.313 nan 8.300 nan 0.000 0.487 1131 T N 2.275 116.900 114.554 0.119 0.000 2.879 1131 T HA 0.509 4.859 4.350 0.000 0.000 0.290 1131 T C -0.583 174.145 174.700 0.047 0.000 0.993 1131 T CA -0.368 61.715 62.100 -0.028 0.000 0.975 1131 T CB 1.332 70.166 68.868 -0.056 0.000 0.981 1131 T HN 0.584 nan 8.240 nan 0.000 0.439 1132 I N 6.141 126.725 120.570 0.023 0.000 2.291 1132 I HA 0.238 4.408 4.170 0.000 0.000 0.292 1132 I C -1.671 174.422 176.117 -0.041 0.000 1.064 1132 I CA -2.081 59.238 61.300 0.031 0.000 1.269 1132 I CB 0.864 38.908 38.000 0.072 0.000 1.418 1132 I HN 0.323 nan 8.210 nan 0.000 0.485 1133 P HA 0.106 nan 4.420 nan 0.000 0.274 1133 P C -0.607 176.648 177.300 -0.074 0.000 1.260 1133 P CA -0.264 62.792 63.100 -0.073 0.000 0.793 1133 P CB 1.019 32.670 31.700 -0.082 0.000 1.048 1134 S N -0.700 114.954 115.700 -0.077 0.000 2.568 1134 S HA 0.520 4.990 4.470 0.000 0.000 0.293 1134 S C 0.107 174.663 174.600 -0.074 0.000 1.089 1134 S CA -1.009 57.147 58.200 -0.073 0.000 0.945 1134 S CB 0.580 63.739 63.200 -0.069 0.000 1.077 1134 S HN 0.289 nan 8.310 nan 0.000 0.485 1135 I N 2.761 123.289 120.570 -0.069 0.000 2.683 1135 I HA 0.057 4.227 4.170 0.000 0.000 0.286 1135 I C 1.098 177.178 176.117 -0.063 0.000 1.175 1135 I CA 0.420 61.679 61.300 -0.067 0.000 1.429 1135 I CB -0.361 37.604 38.000 -0.059 0.000 1.371 1135 I HN 0.996 nan 8.210 nan 0.000 0.569 1136 N N 5.232 123.892 118.700 -0.067 0.000 2.708 1136 N HA -0.271 4.469 4.740 0.000 0.000 0.251 1136 N C 0.070 175.543 175.510 -0.061 0.000 1.123 1136 N CA 1.112 54.125 53.050 -0.062 0.000 0.739 1136 N CB -0.980 37.477 38.487 -0.050 0.000 1.113 1136 N HN 0.818 nan 8.380 nan 0.000 0.561 1137 N N -1.058 117.601 118.700 -0.068 0.000 2.708 1137 N HA -0.233 4.507 4.740 0.000 0.000 0.249 1137 N C 0.183 175.658 175.510 -0.059 0.000 1.097 1137 N CA 1.317 54.327 53.050 -0.067 0.000 0.710 1137 N CB -1.086 37.362 38.487 -0.066 0.000 1.032 1137 N HN 0.725 nan 8.380 nan 0.000 0.551 1138 E N -0.435 119.731 120.200 -0.056 0.000 2.347 1138 E HA -0.050 4.300 4.350 0.000 0.000 0.196 1138 E C 0.859 177.427 176.600 -0.052 0.000 1.008 1138 E CA 1.156 57.526 56.400 -0.050 0.000 0.852 1138 E CB 0.212 29.885 29.700 -0.046 0.000 0.783 1138 E HN 0.639 nan 8.360 nan 0.000 0.505 1139 T N -3.866 110.653 114.554 -0.059 0.000 2.894 1139 T HA 0.255 4.605 4.350 0.000 0.000 0.309 1139 T C -2.431 172.226 174.700 -0.072 0.000 1.208 1139 T CA -1.789 60.273 62.100 -0.063 0.000 1.016 1139 T CB 1.703 70.533 68.868 -0.064 0.000 1.192 1139 T HN -0.354 nan 8.240 nan 0.000 0.491 1140 P HA 0.092 nan 4.420 nan 0.000 0.218 1140 P C 0.792 178.032 177.300 -0.100 0.000 1.154 1140 P CA 2.246 65.293 63.100 -0.088 0.000 0.872 1140 P CB -0.476 31.168 31.700 -0.094 0.000 0.790 1141 G N -1.003 107.732 108.800 -0.108 0.000 3.338 1141 G HA2 -0.111 3.849 3.960 0.000 0.000 0.686 1141 G HA3 -0.111 3.849 3.960 0.000 0.000 0.686 1141 G C -0.607 174.193 174.900 -0.166 0.000 1.053 1141 G CA -0.966 44.064 45.100 -0.117 0.000 0.852 1141 G HN 0.095 nan 8.290 nan 0.000 0.545 1142 I N 3.035 123.492 120.570 -0.188 0.000 2.668 1142 I HA 0.193 4.363 4.170 0.000 0.000 0.285 1142 I C 1.266 177.119 176.117 -0.440 0.000 1.168 1142 I CA 0.470 61.572 61.300 -0.330 0.000 1.424 1142 I CB 0.277 38.095 38.000 -0.303 0.000 1.377 1142 I HN 0.385 nan 8.210 nan 0.000 0.560 1143 R N 5.948 126.099 120.500 -0.581 0.000 2.589 1143 R HA 0.664 5.004 4.340 0.000 0.000 0.293 1143 R C -1.283 174.530 176.300 -0.813 0.000 0.963 1143 R CA -0.925 54.838 56.100 -0.563 0.000 0.905 1143 R CB 1.875 31.966 30.300 -0.348 0.000 1.144 1143 R HN 0.452 nan 8.270 nan 0.000 0.459 1144 Y N -0.250 119.620 120.300 -0.717 0.000 2.655 1144 Y HA 0.266 4.816 4.550 0.000 0.000 0.336 1144 Y C -0.321 175.252 175.900 -0.545 0.000 1.154 1144 Y CA -0.914 56.762 58.100 -0.707 0.000 1.055 1144 Y CB 2.142 40.005 38.460 -0.996 0.000 1.295 1144 Y HN 0.476 nan 8.280 nan 0.000 0.465 1145 Q N -0.384 119.386 119.800 -0.050 0.000 2.418 1145 Q HA 0.537 4.877 4.340 0.000 0.000 0.282 1145 Q C -2.166 173.876 176.000 0.070 0.000 1.044 1145 Q CA -1.111 54.743 55.803 0.085 0.000 0.813 1145 Q CB 2.204 30.968 28.738 0.044 0.000 1.428 1145 Q HN 0.600 nan 8.270 nan 0.000 0.402 1146 Y N 1.297 121.718 120.300 0.201 0.000 2.336 1146 Y HA 0.210 4.760 4.550 0.000 0.000 0.331 1146 Y C 0.957 176.922 175.900 0.108 0.000 1.211 1146 Y CA 0.257 58.457 58.100 0.167 0.000 1.346 1146 Y CB 0.892 39.468 38.460 0.193 0.000 1.271 1146 Y HN 0.740 nan 8.280 nan 0.000 0.538 1147 N N 0.323 119.164 118.700 0.235 0.000 2.332 1147 N HA 0.066 4.806 4.740 0.000 0.000 0.190 1147 N C -0.303 175.345 175.510 0.230 0.000 1.117 1147 N CA 0.476 53.632 53.050 0.177 0.000 0.883 1147 N CB 0.703 39.254 38.487 0.106 0.000 1.089 1147 N HN 0.387 nan 8.380 nan 0.000 0.480 1148 V N -1.549 118.561 119.914 0.327 0.000 3.204 1148 V HA 0.533 4.653 4.120 0.000 0.000 0.316 1148 V C 0.344 176.665 176.094 0.377 0.000 1.160 1148 V CA -1.143 61.368 62.300 0.352 0.000 1.044 1148 V CB 1.097 33.169 31.823 0.414 0.000 1.136 1148 V HN -0.140 nan 8.190 nan 0.000 0.455 1149 L N 3.241 124.666 121.223 0.337 0.000 2.513 1149 L HA 0.317 4.657 4.340 0.000 0.000 0.272 1149 L C -1.987 174.996 176.870 0.189 0.000 1.187 1149 L CA -1.117 53.864 54.840 0.235 0.000 0.895 1149 L CB 0.401 42.551 42.059 0.151 0.000 1.147 1149 L HN 0.562 nan 8.230 nan 0.000 0.483 1150 P HA 0.111 nan 4.420 nan 0.000 0.279 1150 P C -0.529 176.767 177.300 -0.007 0.000 1.252 1150 P CA -0.541 62.380 63.100 -0.299 0.000 0.811 1150 P CB 1.063 32.354 31.700 -0.683 0.000 1.035 1151 Q N 0.764 120.648 119.800 0.140 0.000 2.378 1151 Q HA 0.036 4.376 4.340 0.000 0.000 0.205 1151 Q C 1.687 177.814 176.000 0.212 0.000 0.954 1151 Q CA 1.266 57.178 55.803 0.182 0.000 0.901 1151 Q CB -0.225 28.623 28.738 0.182 0.000 0.981 1151 Q HN 0.669 nan 8.270 nan 0.000 0.483 1152 G N -0.676 108.351 108.800 0.379 0.000 3.393 1152 G HA2 0.026 3.986 3.960 0.000 0.000 0.255 1152 G HA3 0.026 3.986 3.960 0.000 0.000 0.255 1152 G C -0.811 174.314 174.900 0.375 0.000 1.097 1152 G CA -0.494 44.864 45.100 0.430 0.000 0.780 1152 G HN 0.147 nan 8.290 nan 0.000 0.540 1153 W N 1.727 122.900 121.300 -0.211 0.000 2.390 1153 W HA 0.502 5.162 4.660 0.000 0.000 0.312 1153 W C 0.883 177.140 176.519 -0.436 0.000 1.123 1153 W CA -1.413 55.633 57.345 -0.499 0.000 1.202 1153 W CB 1.177 30.114 29.460 -0.871 0.000 1.251 1153 W HN -0.089 nan 8.180 nan 0.000 0.511 1154 K N 3.185 123.040 120.400 -0.908 0.000 2.442 1154 K HA -0.059 4.261 4.320 0.000 0.000 0.198 1154 K C 1.955 177.808 176.600 -1.245 0.000 1.042 1154 K CA 1.066 56.663 56.287 -1.150 0.000 0.958 1154 K CB -0.034 31.384 32.500 -1.803 0.000 0.766 1154 K HN 0.782 nan 8.250 nan 0.000 0.474 1155 G N 0.550 107.982 108.800 -2.279 0.000 2.421 1155 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 1155 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 1155 G C 1.487 175.693 174.900 -1.157 0.000 1.143 1155 G CA 0.399 44.163 45.100 -2.227 0.000 0.784 1155 G HN 0.154 nan 8.290 nan 0.000 0.541 1156 S N 1.668 116.794 115.700 -0.957 0.000 2.353 1156 S HA -0.088 4.382 4.470 0.000 0.000 0.222 1156 S C 0.158 174.350 174.600 -0.679 0.000 1.035 1156 S CA 1.712 59.487 58.200 -0.708 0.000 1.025 1156 S CB -0.771 61.811 63.200 -1.029 0.000 0.902 1156 S HN 0.310 nan 8.310 nan 0.000 0.440 1157 P HA 0.013 nan 4.420 nan 0.000 0.216 1157 P C 1.538 178.783 177.300 -0.091 0.000 1.153 1157 P CA 1.391 64.379 63.100 -0.187 0.000 0.848 1157 P CB -0.166 31.431 31.700 -0.173 0.000 0.787 1158 A N -0.208 122.490 122.820 -0.204 0.000 1.869 1158 A HA -0.259 4.061 4.320 0.000 0.000 0.218 1158 A C 2.242 179.753 177.584 -0.122 0.000 1.203 1158 A CA 2.115 54.038 52.037 -0.189 0.000 0.638 1158 A CB -1.800 16.995 19.000 -0.342 0.000 0.831 1158 A HN 0.110 nan 8.150 nan 0.000 0.450 1159 I N -2.536 117.994 120.570 -0.068 0.000 2.179 1159 I HA -0.207 3.963 4.170 0.000 0.000 0.242 1159 I C 2.298 178.473 176.117 0.097 0.000 1.088 1159 I CA 1.547 62.874 61.300 0.045 0.000 1.357 1159 I CB -0.325 37.761 38.000 0.143 0.000 1.051 1159 I HN 0.392 nan 8.210 nan 0.000 0.409 1160 F N 1.524 121.472 119.950 -0.003 0.000 2.546 1160 F HA -0.199 4.328 4.527 0.000 0.000 0.298 1160 F C 2.475 178.287 175.800 0.020 0.000 1.120 1160 F CA 1.131 59.168 58.000 0.063 0.000 1.456 1160 F CB -0.383 38.747 39.000 0.216 0.000 1.088 1160 F HN 0.098 nan 8.300 nan 0.000 0.572 1161 Q N -0.198 119.645 119.800 0.071 0.000 2.156 1161 Q HA -0.268 4.072 4.340 0.000 0.000 0.211 1161 Q C 2.290 178.221 176.000 -0.115 0.000 0.995 1161 Q CA 2.427 58.227 55.803 -0.004 0.000 0.877 1161 Q CB -0.185 28.542 28.738 -0.017 0.000 0.920 1161 Q HN 0.419 nan 8.270 nan 0.000 0.416 1162 S N -0.073 115.535 115.700 -0.152 0.000 2.359 1162 S HA -0.157 4.313 4.470 0.000 0.000 0.224 1162 S C 2.066 176.490 174.600 -0.293 0.000 1.035 1162 S CA 1.368 59.461 58.200 -0.177 0.000 1.018 1162 S CB -0.287 62.832 63.200 -0.135 0.000 0.876 1162 S HN 0.357 nan 8.310 nan 0.000 0.448 1163 S N 1.511 116.903 115.700 -0.514 0.000 2.345 1163 S HA -0.060 4.410 4.470 0.000 0.000 0.220 1163 S C 1.923 176.157 174.600 -0.610 0.000 1.031 1163 S CA 1.379 59.165 58.200 -0.691 0.000 0.996 1163 S CB -0.434 62.035 63.200 -1.218 0.000 0.882 1163 S HN 0.335 nan 8.310 nan 0.000 0.445 1164 M N 2.029 121.305 119.600 -0.539 0.000 2.143 1164 M HA -0.151 4.329 4.480 0.000 0.000 0.258 1164 M C 1.888 178.068 176.300 -0.199 0.000 1.071 1164 M CA 1.635 56.811 55.300 -0.207 0.000 1.088 1164 M CB -1.301 31.319 32.600 0.034 0.000 1.360 1164 M HN 0.246 nan 8.290 nan 0.000 0.404 1165 T N 0.023 114.465 114.554 -0.188 0.000 2.777 1165 T HA -0.125 4.225 4.350 0.000 0.000 0.266 1165 T C 1.780 176.380 174.700 -0.167 0.000 1.040 1165 T CA 1.592 63.612 62.100 -0.133 0.000 1.141 1165 T CB -0.133 68.677 68.868 -0.098 0.000 0.868 1165 T HN 0.455 nan 8.240 nan 0.000 0.444 1166 K N 0.657 120.909 120.400 -0.246 0.000 2.026 1166 K HA 0.022 4.342 4.320 0.000 0.000 0.208 1166 K C 2.235 178.630 176.600 -0.342 0.000 1.048 1166 K CA 1.154 57.287 56.287 -0.257 0.000 0.929 1166 K CB -0.349 31.964 32.500 -0.312 0.000 0.713 1166 K HN 0.329 nan 8.250 nan 0.000 0.439 1167 I N 1.272 121.491 120.570 -0.586 0.000 2.127 1167 I HA -0.301 3.869 4.170 0.000 0.000 0.241 1167 I C 2.167 178.149 176.117 -0.224 0.000 1.075 1167 I CA 1.426 62.341 61.300 -0.642 0.000 1.334 1167 I CB -0.376 37.159 38.000 -0.774 0.000 1.040 1167 I HN 0.099 nan 8.210 nan 0.000 0.405 1168 L N 0.095 121.221 121.223 -0.162 0.000 2.291 1168 L HA -0.125 4.215 4.340 0.000 0.000 0.214 1168 L C 2.389 179.252 176.870 -0.011 0.000 1.120 1168 L CA 0.709 55.514 54.840 -0.058 0.000 0.799 1168 L CB -0.656 41.392 42.059 -0.018 0.000 0.925 1168 L HN 0.278 nan 8.230 nan 0.000 0.446 1169 E N 0.779 120.956 120.200 -0.039 0.000 2.072 1169 E HA -0.279 4.071 4.350 0.000 0.000 0.218 1169 E C -0.458 176.138 176.600 -0.008 0.000 1.051 1169 E CA 2.467 58.857 56.400 -0.018 0.000 0.880 1169 E CB -0.784 28.904 29.700 -0.020 0.000 0.783 1169 E HN 0.316 nan 8.360 nan 0.000 0.473 1170 P HA -0.176 nan 4.420 nan 0.000 0.216 1170 P C 1.152 178.412 177.300 -0.067 0.000 1.153 1170 P CA 1.210 64.319 63.100 0.015 0.000 0.858 1170 P CB -0.173 31.596 31.700 0.116 0.000 0.789 1171 F N 0.821 120.564 119.950 -0.345 0.000 2.171 1171 F HA -0.155 4.372 4.527 0.000 0.000 0.300 1171 F C 1.885 177.591 175.800 -0.156 0.000 1.090 1171 F CA 1.570 59.352 58.000 -0.363 0.000 1.293 1171 F CB -0.308 38.395 39.000 -0.496 0.000 1.013 1171 F HN -0.243 nan 8.300 nan 0.000 0.486 1172 K N 0.295 120.660 120.400 -0.057 0.000 2.001 1172 K HA -0.210 4.110 4.320 0.000 0.000 0.208 1172 K C 2.186 178.701 176.600 -0.143 0.000 1.048 1172 K CA 1.488 57.724 56.287 -0.084 0.000 0.932 1172 K CB -0.416 32.084 32.500 -0.000 0.000 0.715 1172 K HN 0.226 nan 8.250 nan 0.000 0.437 1173 K N 1.448 121.788 120.400 -0.100 0.000 2.103 1173 K HA -0.200 4.120 4.320 0.000 0.000 0.207 1173 K C 1.968 178.499 176.600 -0.115 0.000 1.048 1173 K CA 1.540 57.777 56.287 -0.082 0.000 0.930 1173 K CB 0.099 32.572 32.500 -0.045 0.000 0.716 1173 K HN 0.172 nan 8.250 nan 0.000 0.444 1174 Q N -0.372 119.326 119.800 -0.170 0.000 2.432 1174 Q HA 0.038 4.378 4.340 0.000 0.000 0.205 1174 Q C -0.330 175.518 176.000 -0.253 0.000 0.945 1174 Q CA 0.440 56.136 55.803 -0.178 0.000 0.924 1174 Q CB 0.446 29.091 28.738 -0.155 0.000 1.016 1174 Q HN 0.223 nan 8.270 nan 0.000 0.503 1175 N N 0.217 118.706 118.700 -0.352 0.000 2.725 1175 N HA 0.150 4.890 4.740 0.000 0.000 0.248 1175 N C -2.497 172.881 175.510 -0.220 0.000 1.402 1175 N CA -0.868 51.976 53.050 -0.344 0.000 0.766 1175 N CB 1.582 39.684 38.487 -0.642 0.000 1.223 1175 N HN -0.034 nan 8.380 nan 0.000 0.515 1176 P HA 0.006 nan 4.420 nan 0.000 0.226 1176 P C 0.173 177.440 177.300 -0.055 0.000 1.153 1176 P CA 1.031 64.083 63.100 -0.080 0.000 0.777 1176 P CB 0.407 32.070 31.700 -0.062 0.000 0.794 1177 D N -0.822 119.545 120.400 -0.054 0.000 2.463 1177 D HA 0.196 4.836 4.640 0.000 0.000 0.224 1177 D C 0.304 176.601 176.300 -0.005 0.000 1.174 1177 D CA 0.105 54.089 54.000 -0.028 0.000 0.829 1177 D CB 0.507 41.292 40.800 -0.024 0.000 0.993 1177 D HN 0.244 nan 8.370 nan 0.000 0.497 1178 I N 1.742 122.313 120.570 0.002 0.000 2.378 1178 I HA 0.123 4.293 4.170 0.000 0.000 0.291 1178 I C 0.155 176.318 176.117 0.076 0.000 0.992 1178 I CA -1.140 60.198 61.300 0.064 0.000 1.154 1178 I CB 2.227 40.292 38.000 0.109 0.000 1.315 1178 I HN -0.239 nan 8.210 nan 0.000 0.448 1179 V N 6.207 126.166 119.914 0.075 0.000 2.406 1179 V HA 0.540 4.660 4.120 0.000 0.000 0.272 1179 V C -0.218 175.948 176.094 0.121 0.000 1.043 1179 V CA -0.229 62.111 62.300 0.066 0.000 0.915 1179 V CB 1.024 32.852 31.823 0.009 0.000 0.988 1179 V HN 0.497 nan 8.190 nan 0.000 0.466 1180 I N 6.542 127.193 120.570 0.134 0.000 2.378 1180 I HA 0.510 4.680 4.170 0.000 0.000 0.291 1180 I C -1.035 175.228 176.117 0.244 0.000 0.992 1180 I CA -0.637 60.766 61.300 0.171 0.000 1.154 1180 I CB 1.798 39.882 38.000 0.140 0.000 1.315 1180 I HN 0.798 nan 8.210 nan 0.000 0.448 1181 Y N 6.116 126.496 120.300 0.134 0.000 2.457 1181 Y HA 0.409 4.959 4.550 0.000 0.000 0.343 1181 Y C -0.929 175.136 175.900 0.275 0.000 0.994 1181 Y CA -1.040 57.159 58.100 0.166 0.000 1.031 1181 Y CB 1.822 40.353 38.460 0.118 0.000 1.246 1181 Y HN 0.551 nan 8.280 nan 0.000 0.449 1182 Q N 5.261 124.908 119.800 -0.254 0.000 2.331 1182 Q HA 0.405 4.745 4.340 0.000 0.000 0.267 1182 Q C -2.343 173.382 176.000 -0.457 0.000 1.006 1182 Q CA -0.836 54.830 55.803 -0.229 0.000 0.818 1182 Q CB 1.422 30.146 28.738 -0.024 0.000 1.276 1182 Q HN 0.726 nan 8.270 nan 0.000 0.450 1183 Y N 6.164 126.285 120.300 -0.298 0.000 2.349 1183 Y HA 0.246 4.796 4.550 0.000 0.000 0.324 1183 Y C -0.597 175.334 175.900 0.053 0.000 1.005 1183 Y CA -1.130 56.871 58.100 -0.164 0.000 1.240 1183 Y CB 1.046 39.443 38.460 -0.105 0.000 1.117 1183 Y HN 0.823 nan 8.280 nan 0.000 0.463 1184 M N 4.129 123.446 119.600 -0.471 0.000 3.985 1184 M HA -0.283 4.197 4.480 0.000 0.000 0.160 1184 M C -0.448 175.873 176.300 0.036 0.000 1.525 1184 M CA 2.043 57.173 55.300 -0.282 0.000 1.079 1184 M CB -0.704 31.606 32.600 -0.483 0.000 1.345 1184 M HN 0.886 nan 8.290 nan 0.000 0.252 1185 D N -0.578 119.919 120.400 0.163 0.000 2.034 1185 D HA -0.158 4.482 4.640 0.000 0.000 0.191 1185 D C -0.556 175.749 176.300 0.009 0.000 1.386 1185 D CA 2.333 56.412 54.000 0.132 0.000 1.458 1185 D CB -0.593 40.291 40.800 0.141 0.000 1.379 1185 D HN 0.911 nan 8.370 nan 0.000 0.579 1186 D N 0.054 120.496 120.400 0.070 0.000 2.272 1186 D HA 0.565 5.205 4.640 0.000 0.000 0.247 1186 D C -0.017 176.230 176.300 -0.088 0.000 0.990 1186 D CA -0.383 53.594 54.000 -0.039 0.000 0.931 1186 D CB 1.522 42.296 40.800 -0.043 0.000 1.195 1186 D HN 0.044 nan 8.370 nan 0.000 0.477 1187 L N 1.545 122.642 121.223 -0.210 0.000 2.356 1187 L HA 0.324 4.664 4.340 0.000 0.000 0.277 1187 L C -1.225 175.485 176.870 -0.266 0.000 0.996 1187 L CA -0.807 53.955 54.840 -0.131 0.000 0.822 1187 L CB 1.223 43.225 42.059 -0.094 0.000 1.256 1187 L HN 0.286 nan 8.230 nan 0.000 0.413 1188 Y N 3.030 123.368 120.300 0.062 0.000 2.331 1188 Y HA 0.435 4.985 4.550 0.000 0.000 0.338 1188 Y C -0.064 175.892 175.900 0.094 0.000 0.976 1188 Y CA -0.682 57.476 58.100 0.096 0.000 1.137 1188 Y CB 1.768 40.337 38.460 0.181 0.000 1.172 1188 Y HN 0.125 nan 8.280 nan 0.000 0.478 1189 V N 3.382 123.387 119.914 0.152 0.000 2.378 1189 V HA 0.784 4.904 4.120 0.000 0.000 0.288 1189 V C 0.197 176.413 176.094 0.204 0.000 1.016 1189 V CA -0.719 61.671 62.300 0.150 0.000 0.840 1189 V CB 1.356 33.223 31.823 0.072 0.000 0.994 1189 V HN 0.910 nan 8.190 nan 0.000 0.431 1190 G N 2.776 111.683 108.800 0.179 0.000 2.542 1190 G HA2 0.778 4.738 3.960 0.000 0.000 0.311 1190 G HA3 0.778 4.738 3.960 0.000 0.000 0.311 1190 G C -0.682 174.295 174.900 0.128 0.000 1.298 1190 G CA -0.306 44.870 45.100 0.126 0.000 0.973 1190 G HN 0.961 nan 8.290 nan 0.000 0.487 1191 S N -0.237 115.511 115.700 0.079 0.000 2.579 1191 S HA 0.490 4.960 4.470 0.000 0.000 0.272 1191 S C -0.807 173.784 174.600 -0.015 0.000 1.141 1191 S CA -0.786 57.467 58.200 0.088 0.000 0.843 1191 S CB 2.369 65.724 63.200 0.259 0.000 1.122 1191 S HN 0.314 nan 8.310 nan 0.000 0.468 1192 D N 0.646 121.043 120.400 -0.004 0.000 2.340 1192 D HA 0.248 4.888 4.640 0.000 0.000 0.217 1192 D C 0.334 176.630 176.300 -0.007 0.000 1.081 1192 D CA 0.003 53.986 54.000 -0.030 0.000 0.842 1192 D CB -0.114 40.668 40.800 -0.030 0.000 0.934 1192 D HN 0.265 nan 8.370 nan 0.000 0.511 1193 L N 1.371 122.615 121.223 0.035 0.000 2.473 1193 L HA 0.001 4.341 4.340 0.000 0.000 0.265 1193 L C 1.113 178.013 176.870 0.051 0.000 1.243 1193 L CA 0.314 55.191 54.840 0.061 0.000 0.822 1193 L CB 0.300 42.434 42.059 0.125 0.000 1.101 1193 L HN -0.102 nan 8.230 nan 0.000 0.507 1194 E N 0.672 120.907 120.200 0.058 0.000 2.366 1194 E HA -0.000 4.350 4.350 0.000 0.000 0.266 1194 E C 1.113 177.777 176.600 0.106 0.000 1.051 1194 E CA -0.446 55.985 56.400 0.052 0.000 0.884 1194 E CB 1.002 30.729 29.700 0.045 0.000 1.006 1194 E HN 0.423 nan 8.360 nan 0.000 0.417 1195 I N 3.297 123.928 120.570 0.101 0.000 2.147 1195 I HA -0.297 3.873 4.170 0.000 0.000 0.245 1195 I C 2.006 178.264 176.117 0.236 0.000 1.059 1195 I CA 2.358 63.769 61.300 0.185 0.000 1.320 1195 I CB -0.725 37.373 38.000 0.164 0.000 1.021 1195 I HN 0.769 nan 8.210 nan 0.000 0.415 1196 G N -1.098 107.810 108.800 0.181 0.000 2.446 1196 G HA2 -0.294 3.666 3.960 0.000 0.000 0.217 1196 G HA3 -0.294 3.666 3.960 0.000 0.000 0.217 1196 G C 1.529 176.501 174.900 0.121 0.000 1.168 1196 G CA 0.918 46.104 45.100 0.143 0.000 0.771 1196 G HN 0.574 nan 8.290 nan 0.000 0.551 1197 Q N -0.911 118.959 119.800 0.117 0.000 2.172 1197 Q HA -0.067 4.273 4.340 0.000 0.000 0.200 1197 Q C 2.223 178.297 176.000 0.124 0.000 0.964 1197 Q CA 1.213 57.076 55.803 0.100 0.000 0.855 1197 Q CB -0.162 28.627 28.738 0.084 0.000 0.918 1197 Q HN 0.735 nan 8.270 nan 0.000 0.444 1198 H N 1.654 120.771 119.070 0.078 0.000 2.261 1198 H HA -0.092 4.464 4.556 0.000 0.000 0.301 1198 H C 2.174 177.558 175.328 0.093 0.000 1.067 1198 H CA 2.263 58.361 56.048 0.084 0.000 1.297 1198 H CB 0.074 29.884 29.762 0.080 0.000 1.377 1198 H HN 0.142 nan 8.280 nan 0.000 0.492 1199 R N -0.722 119.839 120.500 0.101 0.000 2.133 1199 R HA -0.137 4.203 4.340 0.000 0.000 0.247 1199 R C 1.945 178.238 176.300 -0.013 0.000 1.151 1199 R CA 1.968 58.093 56.100 0.042 0.000 0.971 1199 R CB -1.153 29.235 30.300 0.147 0.000 0.866 1199 R HN 0.269 nan 8.270 nan 0.000 0.447 1200 T N 0.900 115.467 114.554 0.022 0.000 2.821 1200 T HA -0.057 4.293 4.350 0.000 0.000 0.267 1200 T C 1.554 176.272 174.700 0.029 0.000 1.046 1200 T CA 1.608 63.723 62.100 0.024 0.000 1.139 1200 T CB -0.078 68.815 68.868 0.041 0.000 0.871 1200 T HN 0.178 nan 8.240 nan 0.000 0.454 1201 K N 0.638 121.052 120.400 0.023 0.000 2.288 1201 K HA 0.144 4.464 4.320 0.000 0.000 0.201 1201 K C 1.812 178.450 176.600 0.064 0.000 1.048 1201 K CA 0.384 56.737 56.287 0.110 0.000 0.956 1201 K CB -0.256 32.323 32.500 0.131 0.000 0.746 1201 K HN 0.232 nan 8.250 nan 0.000 0.461 1202 I N 0.506 121.016 120.570 -0.100 0.000 2.406 1202 I HA -0.132 4.038 4.170 0.000 0.000 0.249 1202 I C 2.033 178.092 176.117 -0.097 0.000 1.122 1202 I CA 1.093 62.303 61.300 -0.149 0.000 1.431 1202 I CB -0.805 37.081 38.000 -0.190 0.000 1.087 1202 I HN 0.201 nan 8.210 nan 0.000 0.424 1203 E N 1.516 121.688 120.200 -0.046 0.000 2.077 1203 E HA -0.257 4.093 4.350 0.000 0.000 0.193 1203 E C 2.110 178.707 176.600 -0.005 0.000 0.989 1203 E CA 1.629 58.012 56.400 -0.028 0.000 0.800 1203 E CB -0.223 29.470 29.700 -0.012 0.000 0.746 1203 E HN 0.461 nan 8.360 nan 0.000 0.452 1204 E N -0.626 119.607 120.200 0.054 0.000 2.077 1204 E HA -0.191 4.159 4.350 0.000 0.000 0.193 1204 E C 2.038 178.726 176.600 0.147 0.000 0.989 1204 E CA 1.173 57.663 56.400 0.150 0.000 0.800 1204 E CB -0.210 29.672 29.700 0.303 0.000 0.746 1204 E HN 0.314 nan 8.360 nan 0.000 0.452 1205 L N 1.116 122.259 121.223 -0.133 0.000 2.141 1205 L HA -0.105 4.235 4.340 0.000 0.000 0.209 1205 L C 2.086 178.846 176.870 -0.183 0.000 1.094 1205 L CA 1.538 56.062 54.840 -0.526 0.000 0.763 1205 L CB -0.161 41.330 42.059 -0.948 0.000 0.908 1205 L HN -0.011 nan 8.230 nan 0.000 0.437 1206 R N -1.090 119.343 120.500 -0.111 0.000 2.115 1206 R HA -0.094 4.246 4.340 0.000 0.000 0.230 1206 R C 2.154 178.446 176.300 -0.014 0.000 1.111 1206 R CA 1.054 57.118 56.100 -0.061 0.000 0.976 1206 R CB -0.337 29.927 30.300 -0.060 0.000 0.870 1206 R HN 0.450 nan 8.270 nan 0.000 0.445 1207 Q N -0.047 119.741 119.800 -0.021 0.000 2.124 1207 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 1207 Q C 1.980 177.948 176.000 -0.053 0.000 0.977 1207 Q CA 1.408 57.177 55.803 -0.056 0.000 0.850 1207 Q CB -0.247 28.427 28.738 -0.107 0.000 0.901 1207 Q HN 0.583 nan 8.270 nan 0.000 0.429 1208 H N 0.280 119.379 119.070 0.048 0.000 2.326 1208 H HA -0.005 4.551 4.556 0.000 0.000 0.301 1208 H C 2.368 177.821 175.328 0.209 0.000 1.081 1208 H CA 0.961 57.089 56.048 0.133 0.000 1.334 1208 H CB -0.059 29.759 29.762 0.094 0.000 1.385 1208 H HN 0.161 nan 8.280 nan 0.000 0.504 1209 L N 0.267 121.620 121.223 0.216 0.000 1.989 1209 L HA -0.225 4.115 4.340 0.000 0.000 0.211 1209 L C 2.703 179.704 176.870 0.218 0.000 1.071 1209 L CA 0.766 55.716 54.840 0.183 0.000 0.749 1209 L CB -0.539 41.548 42.059 0.047 0.000 0.890 1209 L HN 0.150 nan 8.230 nan 0.000 0.431 1210 L N 0.087 121.379 121.223 0.114 0.000 2.103 1210 L HA -0.258 4.082 4.340 0.000 0.000 0.215 1210 L C 2.493 179.404 176.870 0.068 0.000 1.080 1210 L CA 1.784 56.666 54.840 0.070 0.000 0.764 1210 L CB -0.498 41.572 42.059 0.018 0.000 0.890 1210 L HN 0.091 nan 8.230 nan 0.000 0.435 1211 R N -1.977 118.569 120.500 0.077 0.000 2.280 1211 R HA -0.085 4.255 4.340 0.000 0.000 0.207 1211 R C 0.871 177.023 176.300 -0.247 0.000 1.043 1211 R CA 0.955 56.998 56.100 -0.096 0.000 1.006 1211 R CB -0.443 29.758 30.300 -0.165 0.000 0.885 1211 R HN 0.524 nan 8.270 nan 0.000 0.467 1212 W N -0.806 120.520 121.300 0.043 0.000 2.966 1212 W HA 0.394 5.054 4.660 0.000 0.000 0.406 1212 W C 0.603 177.160 176.519 0.063 0.000 1.027 1212 W CA 0.041 57.424 57.345 0.062 0.000 1.930 1212 W CB 0.263 29.773 29.460 0.083 0.000 1.144 1212 W HN 0.099 nan 8.180 nan 0.000 0.626 1213 G N 1.633 110.539 108.800 0.177 0.000 2.248 1213 G HA2 -0.269 3.691 3.960 0.000 0.000 0.263 1213 G HA3 -0.269 3.691 3.960 0.000 0.000 0.263 1213 G C -0.349 174.618 174.900 0.110 0.000 1.082 1213 G CA -0.160 45.014 45.100 0.122 0.000 0.863 1213 G HN 0.286 nan 8.290 nan 0.000 0.495 1214 L N 1.086 122.370 121.223 0.102 0.000 2.637 1214 L HA 0.276 4.616 4.340 0.000 0.000 0.241 1214 L C 0.496 177.378 176.870 0.019 0.000 1.398 1214 L CA -0.736 54.129 54.840 0.043 0.000 0.895 1214 L CB 0.562 42.641 42.059 0.033 0.000 1.183 1214 L HN 0.132 nan 8.230 nan 0.000 0.497 1215 T N 0.890 115.457 114.554 0.021 0.000 2.765 1215 T HA 0.107 4.457 4.350 0.000 0.000 0.284 1215 T C 0.979 175.673 174.700 -0.010 0.000 0.946 1215 T CA 0.193 62.296 62.100 0.004 0.000 1.185 1215 T CB 0.047 68.923 68.868 0.013 0.000 0.887 1215 T HN 0.516 nan 8.240 nan 0.000 0.532 1216 T N 1.598 116.131 114.554 -0.035 0.000 3.378 1216 T HA 0.398 4.748 4.350 0.000 0.000 0.359 1216 T C -2.913 171.740 174.700 -0.077 0.000 1.815 1216 T CA -2.101 59.971 62.100 -0.047 0.000 1.509 1216 T CB 0.254 69.088 68.868 -0.057 0.000 1.049 1216 T HN 0.124 nan 8.240 nan 0.000 0.705 1217 P HA 0.301 nan 4.420 nan 0.000 0.275 1217 P C -0.131 177.079 177.300 -0.150 0.000 1.276 1217 P CA -0.022 62.952 63.100 -0.210 0.000 0.782 1217 P CB 0.524 31.968 31.700 -0.428 0.000 0.851 1218 D N 2.760 123.121 120.400 -0.064 0.000 2.432 1218 D HA 0.149 4.789 4.640 0.000 0.000 0.258 1218 D C 0.828 177.152 176.300 0.040 0.000 1.146 1218 D CA -0.180 53.824 54.000 0.007 0.000 1.015 1218 D CB 0.799 41.618 40.800 0.032 0.000 1.107 1218 D HN 0.207 nan 8.370 nan 0.000 0.529 1219 K N 0.734 121.188 120.400 0.089 0.000 3.464 1219 K HA -0.164 4.156 4.320 0.000 0.000 0.286 1219 K C -0.634 175.945 176.600 -0.035 0.000 1.352 1219 K CA 0.551 56.869 56.287 0.053 0.000 0.928 1219 K CB -0.852 31.693 32.500 0.075 0.000 1.424 1219 K HN 0.638 nan 8.250 nan 0.000 0.484 1220 K N 0.816 121.228 120.400 0.020 0.000 3.510 1220 K HA -0.141 4.179 4.320 0.000 0.000 0.275 1220 K C -1.427 175.257 176.600 0.140 0.000 1.094 1220 K CA 1.573 57.894 56.287 0.057 0.000 0.822 1220 K CB -2.058 30.408 32.500 -0.055 0.000 1.351 1220 K HN 0.590 nan 8.250 nan 0.000 0.458 1221 H N -0.891 118.155 119.070 -0.041 0.000 3.115 1221 H HA -0.189 4.367 4.556 0.000 0.000 0.298 1221 H C -0.089 175.215 175.328 -0.040 0.000 0.859 1221 H CA 1.749 57.775 56.048 -0.036 0.000 0.932 1221 H CB -0.439 29.299 29.762 -0.039 0.000 1.548 1221 H HN 0.532 nan 8.280 nan 0.000 0.323 1222 Q N 2.915 122.719 119.800 0.007 0.000 2.490 1222 Q HA 0.287 4.627 4.340 0.000 0.000 0.226 1222 Q C 0.214 176.211 176.000 -0.005 0.000 1.132 1222 Q CA -0.551 55.252 55.803 0.000 0.000 0.928 1222 Q CB 0.919 29.652 28.738 -0.009 0.000 1.299 1222 Q HN 0.575 nan 8.270 nan 0.000 0.528 1223 K N 1.765 122.168 120.400 0.006 0.000 2.353 1223 K HA 0.124 4.444 4.320 0.000 0.000 0.195 1223 K C -0.513 176.083 176.600 -0.007 0.000 1.031 1223 K CA 0.364 56.651 56.287 -0.000 0.000 1.079 1223 K CB 0.703 33.207 32.500 0.007 0.000 0.857 1223 K HN 0.561 nan 8.250 nan 0.000 0.535 1224 E N 1.165 121.361 120.200 -0.006 0.000 2.448 1224 E HA 0.158 4.508 4.350 0.000 0.000 0.288 1224 E C -2.831 173.773 176.600 0.007 0.000 0.936 1224 E CA -1.678 54.720 56.400 -0.003 0.000 0.809 1224 E CB 1.889 31.585 29.700 -0.007 0.000 1.408 1224 E HN -0.129 nan 8.360 nan 0.000 0.393 1225 P HA 0.103 nan 4.420 nan 0.000 0.277 1225 P C -1.829 175.499 177.300 0.047 0.000 1.354 1225 P CA -0.890 62.223 63.100 0.021 0.000 0.891 1225 P CB 0.491 32.189 31.700 -0.003 0.000 1.058 1226 P HA 0.043 nan 4.420 nan 0.000 0.212 1226 P C 0.526 177.963 177.300 0.228 0.000 1.171 1226 P CA 0.855 64.025 63.100 0.117 0.000 0.892 1226 P CB 0.280 32.036 31.700 0.093 0.000 0.769 1227 F N -0.658 119.320 119.950 0.046 0.000 2.781 1227 F HA 0.329 4.856 4.527 0.000 0.000 0.322 1227 F C 0.505 176.384 175.800 0.131 0.000 1.108 1227 F CA -0.774 57.276 58.000 0.084 0.000 1.179 1227 F CB 0.318 39.361 39.000 0.072 0.000 1.072 1227 F HN -0.283 nan 8.300 nan 0.000 0.545 1228 L N 1.200 122.511 121.223 0.148 0.000 2.660 1228 L HA -0.207 4.133 4.340 0.000 0.000 0.272 1228 L C 0.865 177.785 176.870 0.083 0.000 1.194 1228 L CA 1.021 55.929 54.840 0.113 0.000 0.945 1228 L CB 0.013 42.112 42.059 0.067 0.000 1.212 1228 L HN 0.502 nan 8.230 nan 0.000 0.490 1229 W N 4.220 125.491 121.300 -0.049 0.000 2.674 1229 W HA -0.039 4.621 4.660 0.000 0.000 0.298 1229 W C 1.554 178.064 176.519 -0.014 0.000 1.115 1229 W CA 0.514 57.820 57.345 -0.065 0.000 1.532 1229 W CB 0.228 29.654 29.460 -0.058 0.000 1.142 1229 W HN 0.527 nan 8.180 nan 0.000 0.528 1230 M N -1.971 117.809 119.600 0.300 0.000 2.980 1230 M HA 0.422 4.902 4.480 0.000 0.000 0.163 1230 M C 0.814 177.194 176.300 0.135 0.000 2.004 1230 M CA 1.387 56.786 55.300 0.165 0.000 1.585 1230 M CB 0.396 33.184 32.600 0.312 0.000 1.125 1230 M HN -0.142 nan 8.290 nan 0.000 0.648 1231 G N -1.041 107.864 108.800 0.175 0.000 4.552 1231 G HA2 0.370 4.330 3.960 0.000 0.000 0.281 1231 G HA3 0.370 4.330 3.960 0.000 0.000 0.281 1231 G C -1.358 173.681 174.900 0.232 0.000 1.037 1231 G CA -0.093 45.093 45.100 0.143 0.000 0.806 1231 G HN 0.671 nan 8.290 nan 0.000 0.495 1232 Y N 1.144 121.497 120.300 0.088 0.000 2.895 1232 Y HA -0.202 4.348 4.550 0.000 0.000 0.063 1232 Y C -0.610 175.325 175.900 0.059 0.000 2.123 1232 Y CA -0.456 57.687 58.100 0.072 0.000 1.099 1232 Y CB -1.632 36.853 38.460 0.041 0.000 1.776 1232 Y HN 0.587 nan 8.280 nan 0.000 0.306 1233 E N 5.653 125.846 120.200 -0.012 0.000 2.187 1233 E HA 0.714 5.064 4.350 0.000 0.000 0.268 1233 E C -0.667 175.676 176.600 -0.428 0.000 0.896 1233 E CA -1.168 55.098 56.400 -0.223 0.000 0.766 1233 E CB 2.335 31.978 29.700 -0.094 0.000 1.142 1233 E HN 0.413 nan 8.360 nan 0.000 0.408 1234 L N 2.534 123.466 121.223 -0.486 0.000 2.360 1234 L HA 0.359 4.699 4.340 0.000 0.000 0.271 1234 L C 0.080 176.504 176.870 -0.744 0.000 1.057 1234 L CA -0.918 53.680 54.840 -0.404 0.000 0.803 1234 L CB 0.829 42.812 42.059 -0.127 0.000 1.207 1234 L HN 0.556 nan 8.230 nan 0.000 0.445 1235 H N 1.528 120.453 119.070 -0.241 0.000 2.348 1235 H HA 0.198 4.754 4.556 0.000 0.000 0.232 1235 H C -2.031 172.805 175.328 -0.820 0.000 1.419 1235 H CA -1.752 54.061 56.048 -0.392 0.000 1.416 1235 H CB 0.897 30.525 29.762 -0.224 0.000 1.510 1235 H HN 0.352 nan 8.280 nan 0.000 0.507 1236 P HA -0.193 nan 4.420 nan 0.000 0.215 1236 P C 1.579 178.394 177.300 -0.809 0.000 1.157 1236 P CA 1.438 63.515 63.100 -1.705 0.000 0.874 1236 P CB 0.295 31.309 31.700 -1.144 0.000 0.790 1237 D N -0.138 119.995 120.400 -0.445 0.000 2.411 1237 D HA -0.187 4.453 4.640 0.000 0.000 0.226 1237 D C 0.959 177.173 176.300 -0.144 0.000 0.988 1237 D CA 1.092 54.956 54.000 -0.227 0.000 0.938 1237 D CB -0.451 40.250 40.800 -0.166 0.000 0.883 1237 D HN 0.253 nan 8.370 nan 0.000 0.525 1238 K N -0.779 119.518 120.400 -0.172 0.000 2.387 1238 K HA 0.079 4.399 4.320 0.000 0.000 0.203 1238 K C -0.236 176.459 176.600 0.160 0.000 1.030 1238 K CA -0.594 55.684 56.287 -0.016 0.000 1.099 1238 K CB 0.522 33.014 32.500 -0.012 0.000 0.863 1238 K HN 0.030 nan 8.250 nan 0.000 0.529 1239 W N 2.154 123.464 121.300 0.017 0.000 2.437 1239 W HA 0.184 4.844 4.660 0.000 0.000 0.312 1239 W C 0.541 177.073 176.519 0.021 0.000 1.242 1239 W CA -0.599 56.762 57.345 0.026 0.000 1.340 1239 W CB 0.341 29.806 29.460 0.008 0.000 1.327 1239 W HN -0.206 nan 8.180 nan 0.000 0.476 1240 T N 2.586 117.285 114.554 0.241 0.000 2.888 1240 T HA 0.537 4.887 4.350 0.000 0.000 0.284 1240 T C -0.170 174.598 174.700 0.114 0.000 1.017 1240 T CA -0.512 61.676 62.100 0.146 0.000 1.022 1240 T CB 1.133 70.066 68.868 0.109 0.000 1.013 1240 T HN 0.020 nan 8.240 nan 0.000 0.465 1241 V N 4.127 124.096 119.914 0.092 0.000 2.963 1241 V HA 0.235 4.355 4.120 0.000 0.000 0.306 1241 V C 0.420 176.548 176.094 0.056 0.000 1.077 1241 V CA -0.313 62.029 62.300 0.070 0.000 1.124 1241 V CB 1.164 33.035 31.823 0.081 0.000 0.987 1241 V HN 0.839 nan 8.190 nan 0.000 0.487 1242 Q N 5.526 125.345 119.800 0.031 0.000 2.360 1242 Q HA 0.401 4.741 4.340 0.000 0.000 0.254 1242 Q C -2.576 173.466 176.000 0.069 0.000 0.975 1242 Q CA -1.669 54.160 55.803 0.044 0.000 0.912 1242 Q CB 1.335 30.076 28.738 0.004 0.000 1.212 1242 Q HN 0.487 nan 8.270 nan 0.000 0.452 1243 P HA 0.150 nan 4.420 nan 0.000 0.273 1243 P C -0.664 176.648 177.300 0.020 0.000 1.250 1243 P CA -0.187 62.928 63.100 0.024 0.000 0.793 1243 P CB 0.636 32.338 31.700 0.004 0.000 1.011 1244 I N 0.975 121.494 120.570 -0.086 0.000 2.322 1244 I HA 0.123 4.293 4.170 0.000 0.000 0.292 1244 I C 0.262 176.306 176.117 -0.122 0.000 1.060 1244 I CA -0.788 60.464 61.300 -0.079 0.000 1.309 1244 I CB 0.555 38.390 38.000 -0.275 0.000 1.415 1244 I HN 0.070 nan 8.210 nan 0.000 0.492 1245 V N 6.162 125.988 119.914 -0.145 0.000 2.498 1245 V HA 0.491 4.611 4.120 0.000 0.000 0.279 1245 V C -0.209 175.767 176.094 -0.196 0.000 1.048 1245 V CA -0.610 61.588 62.300 -0.170 0.000 0.967 1245 V CB 1.122 32.832 31.823 -0.189 0.000 0.988 1245 V HN 0.487 nan 8.190 nan 0.000 0.473 1246 L N 5.387 126.543 121.223 -0.112 0.000 2.307 1246 L HA 0.575 4.915 4.340 0.000 0.000 0.284 1246 L C -1.956 174.908 176.870 -0.009 0.000 1.023 1246 L CA -1.764 53.044 54.840 -0.054 0.000 0.810 1246 L CB 1.462 43.513 42.059 -0.014 0.000 1.231 1246 L HN 0.488 nan 8.230 nan 0.000 0.423 1247 P HA -0.006 nan 4.420 nan 0.000 0.271 1247 P C -0.630 176.724 177.300 0.091 0.000 1.228 1247 P CA 0.028 63.118 63.100 -0.016 0.000 0.797 1247 P CB 0.417 32.051 31.700 -0.110 0.000 0.914 1248 E N -0.560 119.627 120.200 -0.021 0.000 4.176 1248 E HA 0.103 4.453 4.350 0.000 0.000 0.222 1248 E C -0.418 176.135 176.600 -0.078 0.000 1.142 1248 E CA -0.304 56.130 56.400 0.056 0.000 1.400 1248 E CB 0.541 30.265 29.700 0.040 0.000 1.206 1248 E HN 0.295 nan 8.360 nan 0.000 0.413 1249 K N 0.690 120.887 120.400 -0.337 0.000 2.138 1249 K HA 0.102 4.422 4.320 0.000 0.000 0.251 1249 K C 0.492 176.935 176.600 -0.262 0.000 1.015 1249 K CA -0.042 55.981 56.287 -0.440 0.000 0.917 1249 K CB 0.675 32.691 32.500 -0.808 0.000 1.021 1249 K HN 0.029 nan 8.250 nan 0.000 0.485 1250 D N 0.046 120.333 120.400 -0.188 0.000 2.354 1250 D HA 0.029 4.669 4.640 0.000 0.000 0.209 1250 D C -0.333 175.941 176.300 -0.043 0.000 1.015 1250 D CA 0.588 54.552 54.000 -0.061 0.000 0.867 1250 D CB 0.525 41.297 40.800 -0.046 0.000 0.933 1250 D HN 0.216 nan 8.370 nan 0.000 0.520 1251 S N -0.137 115.460 115.700 -0.171 0.000 2.541 1251 S HA 0.424 4.894 4.470 0.000 0.000 0.280 1251 S C -1.465 172.990 174.600 -0.242 0.000 1.112 1251 S CA -0.779 57.370 58.200 -0.087 0.000 0.925 1251 S CB 1.679 64.837 63.200 -0.069 0.000 1.067 1251 S HN 0.096 nan 8.310 nan 0.000 0.479 1252 W N 2.349 123.641 121.300 -0.014 0.000 2.453 1252 W HA 0.393 5.053 4.660 0.000 0.000 0.310 1252 W C 0.711 177.223 176.519 -0.012 0.000 1.000 1252 W CA -0.620 56.717 57.345 -0.015 0.000 1.367 1252 W CB 1.009 30.460 29.460 -0.016 0.000 1.269 1252 W HN 0.715 nan 8.180 nan 0.000 0.418 1253 T N -1.920 112.720 114.554 0.144 0.000 2.788 1253 T HA 0.160 4.510 4.350 0.000 0.000 0.287 1253 T C 1.054 175.829 174.700 0.126 0.000 1.007 1253 T CA -0.593 61.566 62.100 0.099 0.000 1.005 1253 T CB 1.182 70.074 68.868 0.039 0.000 1.012 1253 T HN 0.156 nan 8.240 nan 0.000 0.530 1254 V N 1.614 121.577 119.914 0.083 0.000 2.392 1254 V HA -0.162 3.958 4.120 0.000 0.000 0.249 1254 V C 2.862 179.002 176.094 0.077 0.000 1.059 1254 V CA 2.289 64.633 62.300 0.072 0.000 1.051 1254 V CB -1.426 30.425 31.823 0.047 0.000 0.658 1254 V HN 0.970 nan 8.190 nan 0.000 0.455 1255 N N 0.709 119.447 118.700 0.064 0.000 2.084 1255 N HA -0.189 4.551 4.740 0.000 0.000 0.190 1255 N C 1.527 177.083 175.510 0.077 0.000 1.030 1255 N CA 1.889 54.972 53.050 0.055 0.000 0.849 1255 N CB -0.316 38.190 38.487 0.032 0.000 1.012 1255 N HN 0.477 nan 8.380 nan 0.000 0.423 1256 D N 0.021 120.479 120.400 0.097 0.000 2.123 1256 D HA -0.163 4.477 4.640 0.000 0.000 0.196 1256 D C 1.900 178.377 176.300 0.296 0.000 0.992 1256 D CA 0.907 54.990 54.000 0.139 0.000 0.833 1256 D CB -0.286 40.560 40.800 0.077 0.000 0.954 1256 D HN 0.428 nan 8.370 nan 0.000 0.455 1257 I N 0.725 121.472 120.570 0.295 0.000 2.500 1257 I HA -0.181 3.989 4.170 0.000 0.000 0.252 1257 I C 2.101 178.280 176.117 0.102 0.000 1.142 1257 I CA 1.195 62.612 61.300 0.196 0.000 1.451 1257 I CB -0.161 37.895 38.000 0.094 0.000 1.093 1257 I HN -0.113 nan 8.210 nan 0.000 0.430 1258 Q N 0.430 120.284 119.800 0.090 0.000 2.084 1258 Q HA -0.219 4.121 4.340 0.000 0.000 0.202 1258 Q C 2.174 178.217 176.000 0.071 0.000 0.978 1258 Q CA 1.761 57.603 55.803 0.065 0.000 0.844 1258 Q CB -0.152 28.620 28.738 0.056 0.000 0.898 1258 Q HN 0.538 nan 8.270 nan 0.000 0.426 1259 K N 0.547 120.995 120.400 0.080 0.000 2.097 1259 K HA -0.086 4.234 4.320 0.000 0.000 0.205 1259 K C 2.114 178.760 176.600 0.075 0.000 1.050 1259 K CA 0.689 57.016 56.287 0.067 0.000 0.938 1259 K CB -0.121 32.407 32.500 0.047 0.000 0.718 1259 K HN 0.201 nan 8.250 nan 0.000 0.442 1260 L N 1.087 122.377 121.223 0.112 0.000 2.017 1260 L HA -0.188 4.152 4.340 0.000 0.000 0.208 1260 L C 2.121 179.025 176.870 0.056 0.000 1.073 1260 L CA 1.246 56.147 54.840 0.103 0.000 0.745 1260 L CB -0.158 41.983 42.059 0.135 0.000 0.894 1260 L HN -0.008 nan 8.230 nan 0.000 0.432 1261 V N -0.058 119.885 119.914 0.047 0.000 2.594 1261 V HA -0.200 3.920 4.120 0.000 0.000 0.253 1261 V C 2.562 178.701 176.094 0.076 0.000 1.069 1261 V CA 1.664 63.988 62.300 0.040 0.000 1.082 1261 V CB -1.082 30.758 31.823 0.028 0.000 0.680 1261 V HN 0.645 nan 8.190 nan 0.000 0.469 1262 G N -0.402 108.455 108.800 0.094 0.000 2.394 1262 G HA2 -0.255 3.705 3.960 0.000 0.000 0.214 1262 G HA3 -0.255 3.705 3.960 0.000 0.000 0.214 1262 G C 1.617 176.637 174.900 0.200 0.000 1.176 1262 G CA 0.850 46.036 45.100 0.143 0.000 0.786 1262 G HN 0.484 nan 8.290 nan 0.000 0.533 1263 K N -0.044 120.439 120.400 0.140 0.000 2.147 1263 K HA 0.096 4.416 4.320 0.000 0.000 0.205 1263 K C 2.437 179.157 176.600 0.200 0.000 1.049 1263 K CA 0.621 57.001 56.287 0.155 0.000 0.936 1263 K CB -0.202 32.330 32.500 0.054 0.000 0.722 1263 K HN 0.331 nan 8.250 nan 0.000 0.446 1264 L N 0.843 122.143 121.223 0.128 0.000 2.044 1264 L HA -0.173 4.167 4.340 0.000 0.000 0.205 1264 L C 2.369 179.323 176.870 0.140 0.000 1.075 1264 L CA 1.444 56.340 54.840 0.095 0.000 0.747 1264 L CB -0.639 41.444 42.059 0.039 0.000 0.903 1264 L HN 0.340 nan 8.230 nan 0.000 0.435 1265 N N -0.267 118.522 118.700 0.149 0.000 2.061 1265 N HA -0.308 4.432 4.740 0.000 0.000 0.193 1265 N C 1.857 177.486 175.510 0.198 0.000 1.030 1265 N CA 1.724 54.855 53.050 0.134 0.000 0.856 1265 N CB -0.306 38.250 38.487 0.115 0.000 1.023 1265 N HN 0.379 nan 8.380 nan 0.000 0.424 1266 W N 1.167 122.535 121.300 0.112 0.000 2.358 1266 W HA 0.065 4.725 4.660 0.000 0.000 0.303 1266 W C 1.523 178.184 176.519 0.238 0.000 1.208 1266 W CA 1.606 59.064 57.345 0.188 0.000 1.274 1266 W CB -0.822 28.796 29.460 0.264 0.000 1.138 1266 W HN 0.220 nan 8.180 nan 0.000 0.515 1267 A N 0.143 123.254 122.820 0.484 0.000 2.250 1267 A HA 0.042 4.362 4.320 0.000 0.000 0.208 1267 A C 1.769 179.463 177.584 0.183 0.000 1.254 1267 A CA 1.321 53.500 52.037 0.238 0.000 0.858 1267 A CB -0.510 18.485 19.000 -0.008 0.000 0.820 1267 A HN 0.174 nan 8.150 nan 0.000 0.484 1268 S N -0.714 115.091 115.700 0.175 0.000 2.499 1268 S HA -0.036 4.434 4.470 0.000 0.000 0.225 1268 S C 1.656 176.311 174.600 0.091 0.000 1.050 1268 S CA 0.300 58.564 58.200 0.106 0.000 0.928 1268 S CB -0.033 63.202 63.200 0.058 0.000 0.803 1268 S HN 0.766 nan 8.310 nan 0.000 0.506 1269 Q N 0.408 120.255 119.800 0.079 0.000 2.515 1269 Q HA 0.258 4.598 4.340 0.000 0.000 0.212 1269 Q C 0.083 176.147 176.000 0.107 0.000 0.970 1269 Q CA 0.527 56.344 55.803 0.023 0.000 0.941 1269 Q CB 0.278 28.946 28.738 -0.116 0.000 0.998 1269 Q HN 0.472 nan 8.270 nan 0.000 0.518 1270 I N -1.345 119.347 120.570 0.203 0.000 2.644 1270 I HA 0.135 4.305 4.170 0.000 0.000 0.291 1270 I C -1.581 174.724 176.117 0.314 0.000 1.180 1270 I CA -1.033 60.391 61.300 0.208 0.000 1.040 1270 I CB 1.373 39.583 38.000 0.350 0.000 1.255 1270 I HN 0.177 nan 8.210 nan 0.000 0.422 1271 Y N 5.386 125.695 120.300 0.016 0.000 2.997 1271 Y HA -0.113 4.437 4.550 0.000 0.000 0.116 1271 Y C -2.319 173.590 175.900 0.014 0.000 2.091 1271 Y CA -0.356 57.746 58.100 0.003 0.000 1.039 1271 Y CB -1.758 36.679 38.460 -0.038 0.000 1.645 1271 Y HN 0.412 nan 8.280 nan 0.000 0.338 1272 P HA 0.256 nan 4.420 nan 0.000 0.265 1272 P C 1.137 178.477 177.300 0.066 0.000 1.193 1272 P CA 1.799 64.945 63.100 0.078 0.000 0.765 1272 P CB 1.418 33.159 31.700 0.069 0.000 0.823 1273 G N 2.568 111.395 108.800 0.045 0.000 2.278 1273 G HA2 -0.177 3.783 3.960 0.000 0.000 0.210 1273 G HA3 -0.177 3.783 3.960 0.000 0.000 0.210 1273 G C 0.202 175.117 174.900 0.024 0.000 1.000 1273 G CA -0.439 44.677 45.100 0.026 0.000 0.635 1273 G HN 0.467 nan 8.290 nan 0.000 0.495 1274 I N 1.126 121.720 120.570 0.040 0.000 2.710 1274 I HA 0.475 4.645 4.170 0.000 0.000 0.286 1274 I C 0.518 176.643 176.117 0.013 0.000 1.181 1274 I CA 0.567 61.882 61.300 0.025 0.000 1.430 1274 I CB 1.063 39.085 38.000 0.036 0.000 1.367 1274 I HN 0.252 nan 8.210 nan 0.000 0.577 1275 K N 4.711 125.110 120.400 -0.000 0.000 2.502 1275 K HA 0.540 4.860 4.320 0.000 0.000 0.257 1275 K C -0.292 176.298 176.600 -0.015 0.000 0.938 1275 K CA -0.612 55.671 56.287 -0.006 0.000 0.819 1275 K CB 1.895 34.388 32.500 -0.010 0.000 1.333 1275 K HN 0.289 nan 8.250 nan 0.000 0.434 1276 V N 0.796 120.701 119.914 -0.015 0.000 3.329 1276 V HA 0.387 4.507 4.120 0.000 0.000 0.317 1276 V C 1.457 177.534 176.094 -0.027 0.000 1.495 1276 V CA 0.198 62.483 62.300 -0.025 0.000 1.105 1276 V CB 0.410 32.224 31.823 -0.015 0.000 0.985 1276 V HN 0.746 nan 8.190 nan 0.000 0.475 1277 R N 0.965 121.452 120.500 -0.023 0.000 2.097 1277 R HA -0.131 4.209 4.340 0.000 0.000 0.236 1277 R C 1.998 178.280 176.300 -0.030 0.000 1.135 1277 R CA 2.431 58.517 56.100 -0.023 0.000 0.934 1277 R CB -0.112 30.176 30.300 -0.019 0.000 0.846 1277 R HN 0.553 nan 8.270 nan 0.000 0.431 1278 Q N 0.101 119.880 119.800 -0.036 0.000 2.515 1278 Q HA -0.066 4.274 4.340 0.000 0.000 0.214 1278 Q C 1.115 177.079 176.000 -0.060 0.000 0.971 1278 Q CA 0.475 56.251 55.803 -0.044 0.000 0.952 1278 Q CB 0.337 29.049 28.738 -0.043 0.000 0.999 1278 Q HN 0.273 nan 8.270 nan 0.000 0.524 1279 L N -1.335 119.851 121.223 -0.061 0.000 2.638 1279 L HA 0.160 4.500 4.340 0.000 0.000 0.232 1279 L C 1.153 177.981 176.870 -0.070 0.000 1.099 1279 L CA 0.397 55.187 54.840 -0.084 0.000 0.883 1279 L CB 0.090 42.095 42.059 -0.090 0.000 1.136 1279 L HN 0.024 nan 8.230 nan 0.000 0.492 1280 C N 0.929 120.201 119.300 -0.046 0.000 2.511 1280 C HA -0.024 4.436 4.460 0.000 0.000 0.300 1280 C C 1.891 176.860 174.990 -0.035 0.000 1.436 1280 C CA -0.256 58.743 59.018 -0.032 0.000 1.628 1280 C CB -2.048 25.680 27.740 -0.020 0.000 1.599 1280 C HN 0.494 nan 8.230 nan 0.000 0.599 1281 K N 0.561 120.929 120.400 -0.054 0.000 2.604 1281 K HA -0.279 4.041 4.320 0.000 0.000 0.100 1281 K C 1.022 177.601 176.600 -0.035 0.000 0.686 1281 K CA 1.386 57.640 56.287 -0.055 0.000 0.838 1281 K CB -0.674 31.774 32.500 -0.087 0.000 0.264 1281 K HN 0.160 nan 8.250 nan 0.000 1.066 1282 L N 1.057 122.262 121.223 -0.031 0.000 2.633 1282 L HA -0.031 4.309 4.340 0.000 0.000 0.235 1282 L C 1.159 178.026 176.870 -0.004 0.000 1.163 1282 L CA 0.793 55.625 54.840 -0.014 0.000 0.859 1282 L CB -0.885 41.171 42.059 -0.006 0.000 0.973 1282 L HN 0.318 nan 8.230 nan 0.000 0.451 1283 L N -1.200 120.020 121.223 -0.005 0.000 2.437 1283 L HA 0.436 4.776 4.340 0.000 0.000 0.243 1283 L C 0.166 177.037 176.870 0.001 0.000 1.346 1283 L CA -0.168 54.675 54.840 0.004 0.000 1.233 1283 L CB -0.428 41.636 42.059 0.009 0.000 1.436 1283 L HN -0.012 nan 8.230 nan 0.000 0.416 1284 R N 1.507 122.008 120.500 0.001 0.000 2.502 1284 R HA 0.778 5.118 4.340 0.000 0.000 0.298 1284 R C 0.000 176.302 176.300 0.002 0.000 1.018 1284 R CA 0.433 56.532 56.100 -0.000 0.000 0.899 1284 R CB 1.541 31.838 30.300 -0.005 0.000 1.181 1284 R HN 0.684 nan 8.270 nan 0.000 0.444 1285 G N 0.911 109.713 108.800 0.004 0.000 2.390 1285 G HA2 -0.084 3.876 3.960 0.000 0.000 0.202 1285 G HA3 -0.084 3.876 3.960 0.000 0.000 0.202 1285 G C -1.054 173.850 174.900 0.007 0.000 1.210 1285 G CA -0.117 44.986 45.100 0.005 0.000 1.271 1285 G HN 0.542 nan 8.290 nan 0.000 0.543 1286 T N 1.620 116.179 114.554 0.008 0.000 3.751 1286 T HA 0.406 4.756 4.350 0.000 0.000 0.240 1286 T C -0.288 174.418 174.700 0.011 0.000 1.004 1286 T CA -0.431 61.675 62.100 0.010 0.000 1.645 1286 T CB 0.469 69.342 68.868 0.008 0.000 0.763 1286 T HN 0.606 nan 8.240 nan 0.000 0.625 1287 K N 1.264 121.671 120.400 0.013 0.000 2.090 1287 K HA 0.821 5.141 4.320 0.000 0.000 0.249 1287 K C 0.469 177.078 176.600 0.016 0.000 0.995 1287 K CA -0.828 55.468 56.287 0.014 0.000 0.914 1287 K CB 1.097 33.607 32.500 0.017 0.000 1.057 1287 K HN 0.450 nan 8.250 nan 0.000 0.462 1288 A N 1.749 124.578 122.820 0.016 0.000 2.425 1288 A HA 0.108 4.428 4.320 0.000 0.000 0.249 1288 A C 1.177 178.773 177.584 0.019 0.000 1.084 1288 A CA -0.216 51.830 52.037 0.016 0.000 0.781 1288 A CB -0.109 18.899 19.000 0.013 0.000 1.019 1288 A HN 0.809 nan 8.150 nan 0.000 0.490 1289 L N 1.812 123.047 121.223 0.020 0.000 2.127 1289 L HA -0.198 4.142 4.340 0.000 0.000 0.211 1289 L C 2.565 179.449 176.870 0.023 0.000 1.089 1289 L CA 1.826 56.680 54.840 0.024 0.000 0.757 1289 L CB -0.817 41.255 42.059 0.021 0.000 0.899 1289 L HN 0.922 nan 8.230 nan 0.000 0.434 1290 T N -1.266 113.298 114.554 0.017 0.000 2.564 1290 T HA -0.256 4.094 4.350 0.000 0.000 0.259 1290 T C 0.718 175.430 174.700 0.020 0.000 1.087 1290 T CA 0.320 62.429 62.100 0.014 0.000 1.184 1290 T CB -0.348 68.526 68.868 0.010 0.000 0.864 1290 T HN 0.338 nan 8.240 nan 0.000 0.403 1291 E N 2.128 122.340 120.200 0.020 0.000 3.377 1291 E HA -0.130 4.220 4.350 0.000 0.000 0.294 1291 E C -0.219 176.402 176.600 0.034 0.000 0.760 1291 E CA -0.439 55.975 56.400 0.023 0.000 1.073 1291 E CB -0.036 29.677 29.700 0.022 0.000 0.770 1291 E HN 0.233 nan 8.360 nan 0.000 0.523 1292 V N 5.495 125.429 119.914 0.034 0.000 2.924 1292 V HA 0.277 4.397 4.120 0.000 0.000 0.305 1292 V C 0.034 176.162 176.094 0.058 0.000 1.073 1292 V CA -0.081 62.249 62.300 0.050 0.000 1.098 1292 V CB 0.844 32.691 31.823 0.039 0.000 1.000 1292 V HN 0.584 nan 8.190 nan 0.000 0.484 1293 I N 7.121 127.742 120.570 0.086 0.000 2.730 1293 I HA 0.599 4.769 4.170 0.000 0.000 0.298 1293 I C -1.884 174.281 176.117 0.081 0.000 1.089 1293 I CA -1.962 59.380 61.300 0.070 0.000 1.041 1293 I CB 2.297 40.333 38.000 0.060 0.000 1.235 1293 I HN 0.626 nan 8.210 nan 0.000 0.423 1294 P HA 0.250 nan 4.420 nan 0.000 0.327 1294 P C -1.242 176.065 177.300 0.010 0.000 1.342 1294 P CA -0.008 63.114 63.100 0.036 0.000 0.761 1294 P CB 0.661 32.371 31.700 0.016 0.000 1.675 1295 L N -1.634 119.578 121.223 -0.017 0.000 2.493 1295 L HA 0.315 4.655 4.340 0.000 0.000 0.265 1295 L C 0.142 176.972 176.870 -0.066 0.000 0.954 1295 L CA -0.657 54.139 54.840 -0.073 0.000 0.844 1295 L CB 2.074 44.086 42.059 -0.077 0.000 1.302 1295 L HN 0.223 nan 8.230 nan 0.000 0.405 1296 T N -0.186 114.315 114.554 -0.088 0.000 2.788 1296 T HA 0.106 4.456 4.350 0.000 0.000 0.287 1296 T C 1.130 175.790 174.700 -0.067 0.000 1.007 1296 T CA -0.604 61.456 62.100 -0.068 0.000 1.005 1296 T CB 1.157 69.983 68.868 -0.070 0.000 1.012 1296 T HN 0.729 nan 8.240 nan 0.000 0.530 1297 E N 1.330 121.499 120.200 -0.050 0.000 2.086 1297 E HA -0.150 4.200 4.350 0.000 0.000 0.190 1297 E C 1.776 178.346 176.600 -0.050 0.000 0.975 1297 E CA 0.932 57.306 56.400 -0.044 0.000 0.813 1297 E CB -0.376 29.305 29.700 -0.031 0.000 0.768 1297 E HN 0.920 nan 8.360 nan 0.000 0.457 1298 E N 2.037 122.206 120.200 -0.051 0.000 2.077 1298 E HA -0.138 4.212 4.350 0.000 0.000 0.193 1298 E C 2.230 178.789 176.600 -0.069 0.000 0.989 1298 E CA 1.191 57.560 56.400 -0.052 0.000 0.800 1298 E CB -0.377 29.295 29.700 -0.047 0.000 0.746 1298 E HN 0.228 nan 8.360 nan 0.000 0.452 1299 A N 2.368 125.133 122.820 -0.091 0.000 1.849 1299 A HA -0.265 4.055 4.320 0.000 0.000 0.217 1299 A C 2.189 179.693 177.584 -0.132 0.000 1.202 1299 A CA 1.873 53.831 52.037 -0.131 0.000 0.629 1299 A CB -0.610 18.284 19.000 -0.177 0.000 0.834 1299 A HN 0.217 nan 8.150 nan 0.000 0.447 1300 E N -0.557 119.572 120.200 -0.119 0.000 2.169 1300 E HA -0.247 4.103 4.350 0.000 0.000 0.202 1300 E C 1.913 178.471 176.600 -0.069 0.000 1.016 1300 E CA 1.518 57.862 56.400 -0.093 0.000 0.817 1300 E CB -0.639 29.024 29.700 -0.061 0.000 0.736 1300 E HN 0.529 nan 8.360 nan 0.000 0.462 1301 L N 1.372 122.558 121.223 -0.060 0.000 2.044 1301 L HA -0.107 4.233 4.340 0.000 0.000 0.205 1301 L C 2.161 179.001 176.870 -0.051 0.000 1.075 1301 L CA 1.625 56.438 54.840 -0.046 0.000 0.747 1301 L CB -0.369 41.666 42.059 -0.039 0.000 0.903 1301 L HN -0.077 nan 8.230 nan 0.000 0.435 1302 E N -0.281 119.881 120.200 -0.063 0.000 2.026 1302 E HA -0.302 4.048 4.350 0.000 0.000 0.206 1302 E C 2.183 178.743 176.600 -0.066 0.000 1.028 1302 E CA 1.930 58.292 56.400 -0.063 0.000 0.845 1302 E CB -0.864 28.789 29.700 -0.078 0.000 0.772 1302 E HN 0.371 nan 8.360 nan 0.000 0.462 1303 L N 0.933 122.102 121.223 -0.091 0.000 1.978 1303 L HA -0.240 4.100 4.340 0.000 0.000 0.218 1303 L C 2.362 179.200 176.870 -0.054 0.000 1.075 1303 L CA 2.542 57.330 54.840 -0.087 0.000 0.767 1303 L CB -0.960 41.023 42.059 -0.127 0.000 0.890 1303 L HN 0.145 nan 8.230 nan 0.000 0.434 1304 A N -1.214 121.578 122.820 -0.046 0.000 1.908 1304 A HA -0.263 4.057 4.320 0.000 0.000 0.218 1304 A C 2.187 179.755 177.584 -0.027 0.000 1.181 1304 A CA 2.067 54.087 52.037 -0.029 0.000 0.627 1304 A CB -0.676 18.309 19.000 -0.024 0.000 0.818 1304 A HN 0.649 nan 8.150 nan 0.000 0.445 1305 E N -0.390 119.792 120.200 -0.030 0.000 2.107 1305 E HA -0.129 4.221 4.350 0.000 0.000 0.191 1305 E C 1.759 178.344 176.600 -0.025 0.000 0.982 1305 E CA 0.785 57.171 56.400 -0.024 0.000 0.809 1305 E CB -0.181 29.505 29.700 -0.023 0.000 0.756 1305 E HN 0.578 nan 8.360 nan 0.000 0.459 1306 N N 1.459 120.138 118.700 -0.034 0.000 2.084 1306 N HA -0.175 4.565 4.740 0.000 0.000 0.190 1306 N C 1.863 177.340 175.510 -0.056 0.000 1.030 1306 N CA 1.254 54.280 53.050 -0.041 0.000 0.849 1306 N CB -0.310 38.148 38.487 -0.048 0.000 1.012 1306 N HN 0.288 nan 8.380 nan 0.000 0.423 1307 R N 1.075 121.542 120.500 -0.056 0.000 2.293 1307 R HA 0.015 4.355 4.340 0.000 0.000 0.219 1307 R C 1.668 177.940 176.300 -0.045 0.000 1.091 1307 R CA 0.930 56.992 56.100 -0.064 0.000 1.004 1307 R CB -0.102 30.170 30.300 -0.046 0.000 0.865 1307 R HN 0.188 nan 8.270 nan 0.000 0.469 1308 E N 1.963 122.147 120.200 -0.027 0.000 2.051 1308 E HA -0.092 4.258 4.350 0.000 0.000 0.189 1308 E C 1.947 178.550 176.600 0.005 0.000 0.979 1308 E CA 0.998 57.394 56.400 -0.008 0.000 0.803 1308 E CB -0.028 29.669 29.700 -0.004 0.000 0.761 1308 E HN 0.444 nan 8.360 nan 0.000 0.451 1309 I N 1.401 121.975 120.570 0.007 0.000 2.099 1309 I HA -0.235 3.935 4.170 0.000 0.000 0.239 1309 I C 1.436 177.597 176.117 0.072 0.000 1.066 1309 I CA 0.545 61.876 61.300 0.052 0.000 1.324 1309 I CB -0.315 37.719 38.000 0.056 0.000 1.037 1309 I HN 0.024 nan 8.210 nan 0.000 0.401 1310 L N 1.050 122.224 121.223 -0.081 0.000 2.479 1310 L HA -0.050 4.290 4.340 0.000 0.000 0.270 1310 L C 1.373 178.181 176.870 -0.103 0.000 1.236 1310 L CA 0.142 54.791 54.840 -0.318 0.000 0.823 1310 L CB -0.003 41.782 42.059 -0.457 0.000 1.098 1310 L HN 0.299 nan 8.230 nan 0.000 0.500 1311 K N 0.355 120.709 120.400 -0.075 0.000 3.339 1311 K HA -0.189 4.131 4.320 0.000 0.000 0.299 1311 K C -0.500 176.148 176.600 0.080 0.000 1.270 1311 K CA 0.915 57.211 56.287 0.015 0.000 0.875 1311 K CB -0.429 32.065 32.500 -0.011 0.000 1.298 1311 K HN 0.749 nan 8.250 nan 0.000 0.485 1312 E N 0.121 120.419 120.200 0.164 0.000 2.408 1312 E HA 0.513 4.863 4.350 0.000 0.000 0.275 1312 E C -2.878 173.824 176.600 0.169 0.000 0.935 1312 E CA -2.011 54.477 56.400 0.147 0.000 0.775 1312 E CB 1.472 31.247 29.700 0.125 0.000 1.277 1312 E HN -0.037 nan 8.360 nan 0.000 0.455 1313 P HA 0.083 nan 4.420 nan 0.000 0.266 1313 P C -0.809 176.452 177.300 -0.064 0.000 1.215 1313 P CA -0.224 62.877 63.100 0.002 0.000 0.763 1313 P CB 0.462 32.152 31.700 -0.016 0.000 0.806 1314 V N 5.064 124.833 119.914 -0.243 0.000 2.442 1314 V HA -0.121 3.999 4.120 0.000 0.000 0.272 1314 V C 1.216 177.203 176.094 -0.179 0.000 0.989 1314 V CA 0.231 62.307 62.300 -0.373 0.000 1.123 1314 V CB -1.427 30.044 31.823 -0.587 0.000 1.008 1314 V HN 0.649 nan 8.190 nan 0.000 0.469 1315 H N 4.666 123.658 119.070 -0.130 0.000 3.140 1315 H HA 0.110 4.666 4.556 0.000 0.000 0.316 1315 H C 1.287 176.578 175.328 -0.061 0.000 0.986 1315 H CA 1.531 57.534 56.048 -0.075 0.000 1.397 1315 H CB 0.624 30.378 29.762 -0.013 0.000 1.377 1315 H HN 0.933 nan 8.280 nan 0.000 0.585 1316 G N 3.423 111.871 108.800 -0.587 0.000 2.213 1316 G HA2 -0.272 3.688 3.960 0.000 0.000 0.226 1316 G HA3 -0.272 3.688 3.960 0.000 0.000 0.226 1316 G C 0.131 174.971 174.900 -0.100 0.000 0.992 1316 G CA 0.122 45.071 45.100 -0.252 0.000 0.632 1316 G HN 0.893 nan 8.290 nan 0.000 0.511 1317 V N -1.316 118.409 119.914 -0.314 0.000 2.407 1317 V HA 0.872 4.992 4.120 0.000 0.000 0.278 1317 V C -0.380 175.414 176.094 -0.499 0.000 1.037 1317 V CA -1.471 60.686 62.300 -0.239 0.000 0.900 1317 V CB 0.800 32.512 31.823 -0.185 0.000 0.983 1317 V HN 0.345 nan 8.190 nan 0.000 0.459 1318 Y N 3.197 123.478 120.300 -0.033 0.000 2.524 1318 Y HA 0.502 5.052 4.550 0.000 0.000 0.347 1318 Y C -0.405 175.506 175.900 0.018 0.000 1.005 1318 Y CA -1.090 57.015 58.100 0.009 0.000 1.025 1318 Y CB 1.908 40.359 38.460 -0.016 0.000 1.275 1318 Y HN 0.794 nan 8.280 nan 0.000 0.460 1319 Y N 3.011 123.353 120.300 0.071 0.000 2.544 1319 Y HA 0.169 4.719 4.550 0.000 0.000 0.330 1319 Y C -0.198 175.688 175.900 -0.023 0.000 1.136 1319 Y CA -0.312 57.753 58.100 -0.058 0.000 1.417 1319 Y CB 0.464 38.877 38.460 -0.079 0.000 1.229 1319 Y HN 0.552 nan 8.280 nan 0.000 0.532 1320 D N 8.778 128.729 120.400 -0.749 0.000 2.427 1320 D HA 0.268 4.908 4.640 0.000 0.000 0.226 1320 D C -2.100 173.600 176.300 -1.000 0.000 1.076 1320 D CA -2.468 51.154 54.000 -0.630 0.000 0.849 1320 D CB 1.825 42.427 40.800 -0.331 0.000 1.052 1320 D HN 0.366 nan 8.370 nan 0.000 0.515 1321 P HA -0.179 nan 4.420 nan 0.000 0.219 1321 P C 1.235 178.384 177.300 -0.252 0.000 1.144 1321 P CA 1.197 64.017 63.100 -0.467 0.000 0.806 1321 P CB 0.300 31.923 31.700 -0.128 0.000 0.771 1322 S N -2.292 113.262 115.700 -0.245 0.000 2.439 1322 S HA 0.044 4.514 4.470 0.000 0.000 0.224 1322 S C 0.899 175.419 174.600 -0.134 0.000 1.029 1322 S CA 0.213 58.324 58.200 -0.148 0.000 0.946 1322 S CB -0.469 62.658 63.200 -0.122 0.000 0.797 1322 S HN 0.064 nan 8.310 nan 0.000 0.504 1323 K N 2.150 122.442 120.400 -0.181 0.000 2.154 1323 K HA 0.295 4.615 4.320 0.000 0.000 0.264 1323 K C -0.687 175.848 176.600 -0.107 0.000 1.008 1323 K CA -0.590 55.619 56.287 -0.129 0.000 0.937 1323 K CB 0.367 32.788 32.500 -0.131 0.000 1.002 1323 K HN 0.298 nan 8.250 nan 0.000 0.469 1324 D N 1.545 121.905 120.400 -0.067 0.000 2.368 1324 D HA 0.073 4.713 4.640 0.000 0.000 0.240 1324 D C 0.025 176.264 176.300 -0.101 0.000 1.169 1324 D CA 0.166 54.132 54.000 -0.057 0.000 0.906 1324 D CB 0.742 41.515 40.800 -0.045 0.000 1.187 1324 D HN 0.189 nan 8.370 nan 0.000 0.435 1325 L N 1.507 122.649 121.223 -0.135 0.000 2.295 1325 L HA 0.428 4.768 4.340 0.000 0.000 0.285 1325 L C 0.045 176.726 176.870 -0.317 0.000 1.035 1325 L CA -0.538 54.152 54.840 -0.249 0.000 0.806 1325 L CB 1.157 43.039 42.059 -0.295 0.000 1.214 1325 L HN 0.138 nan 8.230 nan 0.000 0.426 1326 I N 2.700 123.001 120.570 -0.449 0.000 2.474 1326 I HA 0.582 4.752 4.170 0.000 0.000 0.294 1326 I C -0.199 175.445 176.117 -0.788 0.000 1.005 1326 I CA -0.505 60.452 61.300 -0.572 0.000 1.113 1326 I CB 2.068 39.751 38.000 -0.528 0.000 1.289 1326 I HN 0.609 nan 8.210 nan 0.000 0.436 1327 A N 5.578 127.974 122.820 -0.706 0.000 2.343 1327 A HA 0.679 4.999 4.320 0.000 0.000 0.316 1327 A C -0.843 176.515 177.584 -0.378 0.000 1.104 1327 A CA -0.477 51.183 52.037 -0.630 0.000 0.768 1327 A CB 1.421 19.828 19.000 -0.989 0.000 1.213 1327 A HN 0.755 nan 8.150 nan 0.000 0.456 1328 E N 1.770 121.875 120.200 -0.157 0.000 2.248 1328 E HA 0.652 5.002 4.350 0.000 0.000 0.267 1328 E C -1.488 175.180 176.600 0.112 0.000 0.877 1328 E CA -0.439 55.966 56.400 0.008 0.000 0.759 1328 E CB 1.522 31.272 29.700 0.084 0.000 1.182 1328 E HN 0.638 nan 8.360 nan 0.000 0.418 1329 I N 3.159 123.811 120.570 0.136 0.000 2.465 1329 I HA 0.275 4.445 4.170 0.000 0.000 0.291 1329 I C -0.789 175.441 176.117 0.188 0.000 1.014 1329 I CA -0.887 60.537 61.300 0.206 0.000 1.093 1329 I CB 1.946 40.071 38.000 0.209 0.000 1.267 1329 I HN 0.388 nan 8.210 nan 0.000 0.431 1330 Q N 4.540 124.444 119.800 0.173 0.000 2.312 1330 Q HA 0.374 4.714 4.340 0.000 0.000 0.263 1330 Q C -0.611 175.418 176.000 0.048 0.000 0.995 1330 Q CA -0.770 55.078 55.803 0.076 0.000 0.853 1330 Q CB 2.266 30.978 28.738 -0.044 0.000 1.300 1330 Q HN 0.333 nan 8.270 nan 0.000 0.448 1331 K N 2.057 122.410 120.400 -0.077 0.000 2.310 1331 K HA 0.056 4.376 4.320 0.000 0.000 0.290 1331 K C 0.110 176.410 176.600 -0.501 0.000 1.077 1331 K CA -0.006 55.977 56.287 -0.506 0.000 0.922 1331 K CB 0.604 32.842 32.500 -0.437 0.000 1.057 1331 K HN 0.548 nan 8.250 nan 0.000 0.479 1332 Q N 2.397 121.815 119.800 -0.637 0.000 2.402 1332 Q HA 0.131 4.471 4.340 0.000 0.000 0.206 1332 Q C 0.496 176.217 176.000 -0.465 0.000 0.919 1332 Q CA 0.734 56.205 55.803 -0.553 0.000 0.923 1332 Q CB 0.814 29.169 28.738 -0.639 0.000 1.048 1332 Q HN 1.001 nan 8.270 nan 0.000 0.515 1333 G N 0.918 109.401 108.800 -0.529 0.000 2.663 1333 G HA2 -0.215 3.745 3.960 0.000 0.000 0.686 1333 G HA3 -0.215 3.745 3.960 0.000 0.000 0.686 1333 G C -0.640 174.081 174.900 -0.298 0.000 1.246 1333 G CA -0.292 44.592 45.100 -0.361 0.000 0.795 1333 G HN 0.208 nan 8.290 nan 0.000 0.627 1334 Q N -1.372 118.308 119.800 -0.199 0.000 2.457 1334 Q HA -0.111 4.229 4.340 0.000 0.000 0.283 1334 Q C 1.596 177.520 176.000 -0.128 0.000 1.234 1334 Q CA 2.223 57.946 55.803 -0.133 0.000 0.877 1334 Q CB -1.566 27.108 28.738 -0.108 0.000 1.250 1334 Q HN 2.853 nan 8.270 nan 0.000 0.481 1335 G N -0.738 107.977 108.800 -0.142 0.000 2.153 1335 G HA2 -0.312 3.648 3.960 0.000 0.000 0.252 1335 G HA3 -0.312 3.648 3.960 0.000 0.000 0.252 1335 G C -0.127 174.730 174.900 -0.071 0.000 0.994 1335 G CA 0.429 45.515 45.100 -0.023 0.000 0.698 1335 G HN 0.323 nan 8.290 nan 0.000 0.521 1336 Q N -1.134 118.467 119.800 -0.331 0.000 2.282 1336 Q HA 0.617 4.957 4.340 0.000 0.000 0.260 1336 Q C -0.806 174.875 176.000 -0.531 0.000 0.964 1336 Q CA -0.268 55.365 55.803 -0.284 0.000 0.880 1336 Q CB 1.465 30.027 28.738 -0.293 0.000 1.286 1336 Q HN 0.402 nan 8.270 nan 0.000 0.445 1337 W N 0.869 122.154 121.300 -0.025 0.000 2.957 1337 W HA 0.342 5.002 4.660 0.000 0.000 0.336 1337 W C -0.191 176.355 176.519 0.045 0.000 1.087 1337 W CA -0.570 56.791 57.345 0.026 0.000 1.235 1337 W CB 1.598 31.149 29.460 0.151 0.000 1.399 1337 W HN 0.445 nan 8.180 nan 0.000 0.480 1338 T N -0.149 114.505 114.554 0.167 0.000 2.940 1338 T HA 0.857 5.207 4.350 0.000 0.000 0.288 1338 T C -1.123 173.712 174.700 0.225 0.000 1.033 1338 T CA -0.701 61.449 62.100 0.084 0.000 1.033 1338 T CB 1.883 70.672 68.868 -0.130 0.000 1.079 1338 T HN 0.500 nan 8.240 nan 0.000 0.496 1339 Y N -0.950 119.398 120.300 0.079 0.000 2.581 1339 Y HA 0.776 5.326 4.550 0.000 0.000 0.337 1339 Y C -1.493 174.446 175.900 0.066 0.000 1.108 1339 Y CA -1.398 56.742 58.100 0.067 0.000 1.033 1339 Y CB 1.271 39.771 38.460 0.066 0.000 1.318 1339 Y HN 0.631 nan 8.280 nan 0.000 0.459 1340 Q N 2.379 122.283 119.800 0.174 0.000 2.451 1340 Q HA 0.762 5.102 4.340 0.000 0.000 0.281 1340 Q C -1.520 174.535 176.000 0.091 0.000 1.099 1340 Q CA -0.689 55.191 55.803 0.129 0.000 0.806 1340 Q CB 3.393 32.245 28.738 0.190 0.000 1.419 1340 Q HN 0.775 nan 8.270 nan 0.000 0.427 1341 I N 2.365 122.976 120.570 0.069 0.000 2.499 1341 I HA 0.600 4.770 4.170 0.000 0.000 0.288 1341 I C -1.411 174.639 176.117 -0.111 0.000 1.048 1341 I CA -0.981 60.238 61.300 -0.135 0.000 1.062 1341 I CB 1.198 39.214 38.000 0.027 0.000 1.238 1341 I HN 0.662 nan 8.210 nan 0.000 0.426 1342 Y N 2.907 123.128 120.300 -0.131 0.000 2.689 1342 Y HA 0.439 4.989 4.550 0.000 0.000 0.333 1342 Y C -0.373 175.444 175.900 -0.139 0.000 1.208 1342 Y CA -1.021 57.004 58.100 -0.124 0.000 1.055 1342 Y CB 0.909 39.332 38.460 -0.062 0.000 1.304 1342 Y HN 0.457 nan 8.280 nan 0.000 0.455 1343 Q N 0.014 119.915 119.800 0.168 0.000 2.423 1343 Q HA 0.285 4.625 4.340 0.000 0.000 0.231 1343 Q C -0.767 175.342 176.000 0.181 0.000 0.894 1343 Q CA 0.413 56.264 55.803 0.079 0.000 0.938 1343 Q CB 1.191 29.903 28.738 -0.043 0.000 1.079 1343 Q HN 0.711 nan 8.270 nan 0.000 0.552 1344 E N 1.582 121.890 120.200 0.181 0.000 2.216 1344 E HA 0.304 4.654 4.350 0.000 0.000 0.260 1344 E C -2.668 173.901 176.600 -0.053 0.000 0.880 1344 E CA -2.293 54.156 56.400 0.080 0.000 0.765 1344 E CB 1.902 31.619 29.700 0.028 0.000 1.174 1344 E HN -0.109 nan 8.360 nan 0.000 0.417 1345 P HA -0.181 nan 4.420 nan 0.000 0.263 1345 P C -0.492 176.830 177.300 0.037 0.000 1.145 1345 P CA 0.904 63.816 63.100 -0.313 0.000 0.755 1345 P CB -0.025 31.722 31.700 0.079 0.000 0.746 1346 F N 0.395 120.069 119.950 -0.459 0.000 2.973 1346 F HA -0.249 4.278 4.527 0.000 0.000 0.299 1346 F C 0.870 176.629 175.800 -0.068 0.000 0.737 1346 F CA 1.038 58.977 58.000 -0.100 0.000 1.151 1346 F CB -1.639 37.386 39.000 0.042 0.000 1.440 1346 F HN 0.329 nan 8.300 nan 0.000 0.367 1347 K N 1.542 121.939 120.400 -0.004 0.000 2.526 1347 K HA 0.255 4.575 4.320 0.000 0.000 0.214 1347 K C -0.099 176.515 176.600 0.025 0.000 1.088 1347 K CA -0.294 55.988 56.287 -0.008 0.000 1.058 1347 K CB 0.089 32.586 32.500 -0.006 0.000 1.653 1347 K HN 0.081 nan 8.250 nan 0.000 0.521 1348 N N 2.378 121.093 118.700 0.025 0.000 2.440 1348 N HA -0.001 4.739 4.740 0.000 0.000 0.265 1348 N C 1.187 176.722 175.510 0.041 0.000 1.239 1348 N CA 0.135 53.240 53.050 0.091 0.000 0.909 1348 N CB 1.048 39.603 38.487 0.114 0.000 1.066 1348 N HN 0.302 nan 8.380 nan 0.000 0.474 1349 L N 1.293 122.561 121.223 0.074 0.000 2.375 1349 L HA 0.127 4.467 4.340 0.000 0.000 0.215 1349 L C 0.883 177.869 176.870 0.193 0.000 1.108 1349 L CA 0.615 55.508 54.840 0.088 0.000 0.830 1349 L CB 0.082 42.142 42.059 0.003 0.000 0.959 1349 L HN 0.536 nan 8.230 nan 0.000 0.457 1350 K N -0.447 120.064 120.400 0.185 0.000 2.622 1350 K HA 0.283 4.603 4.320 0.000 0.000 0.273 1350 K C -1.233 175.435 176.600 0.113 0.000 0.957 1350 K CA -0.424 55.976 56.287 0.188 0.000 0.861 1350 K CB 1.645 34.328 32.500 0.305 0.000 1.405 1350 K HN -0.083 nan 8.250 nan 0.000 0.406 1351 T N -0.578 113.983 114.554 0.012 0.000 2.883 1351 T HA 0.923 5.273 4.350 0.000 0.000 0.296 1351 T C -0.064 174.384 174.700 -0.421 0.000 1.117 1351 T CA -0.222 61.774 62.100 -0.174 0.000 1.006 1351 T CB 1.996 70.851 68.868 -0.023 0.000 1.191 1351 T HN 0.812 nan 8.240 nan 0.000 0.508 1352 G N 0.135 108.373 108.800 -0.937 0.000 2.561 1352 G HA2 0.648 4.608 3.960 0.000 0.000 0.310 1352 G HA3 0.648 4.608 3.960 0.000 0.000 0.310 1352 G C -1.934 172.651 174.900 -0.525 0.000 1.292 1352 G CA -0.878 43.750 45.100 -0.788 0.000 0.811 1352 G HN 0.888 nan 8.290 nan 0.000 0.482 1353 K N -1.788 118.611 120.400 -0.003 0.000 2.499 1353 K HA 0.701 5.021 4.320 0.000 0.000 0.277 1353 K C -2.345 174.513 176.600 0.432 0.000 1.025 1353 K CA -0.979 55.428 56.287 0.201 0.000 0.900 1353 K CB 2.574 35.129 32.500 0.091 0.000 1.494 1353 K HN 0.752 nan 8.250 nan 0.000 0.442 1354 Y N 0.261 120.698 120.300 0.228 0.000 2.376 1354 Y HA 0.564 5.114 4.550 0.000 0.000 0.321 1354 Y C -2.065 173.964 175.900 0.215 0.000 1.189 1354 Y CA -0.293 57.922 58.100 0.191 0.000 1.069 1354 Y CB 1.631 40.185 38.460 0.156 0.000 1.292 1354 Y HN 0.757 nan 8.280 nan 0.000 0.430 1355 A N 5.456 128.011 122.820 -0.443 0.000 2.430 1355 A HA 0.624 4.944 4.320 0.000 0.000 0.300 1355 A C 0.374 177.675 177.584 -0.471 0.000 1.124 1355 A CA -0.948 50.906 52.037 -0.306 0.000 0.766 1355 A CB 1.502 20.419 19.000 -0.137 0.000 1.328 1355 A HN 0.936 nan 8.150 nan 0.000 0.424 1356 R N 0.178 120.549 120.500 -0.215 0.000 2.185 1356 R HA -0.121 4.219 4.340 0.000 0.000 0.247 1356 R C -0.189 175.999 176.300 -0.188 0.000 1.159 1356 R CA 1.335 57.337 56.100 -0.163 0.000 0.988 1356 R CB -0.461 29.802 30.300 -0.063 0.000 0.871 1356 R HN 0.706 nan 8.270 nan 0.000 0.458 1357 M N 0.762 120.256 119.600 -0.176 0.000 2.516 1357 M HA -0.210 4.270 4.480 0.000 0.000 0.183 1357 M C -0.376 175.847 176.300 -0.129 0.000 0.928 1357 M CA 0.764 55.981 55.300 -0.139 0.000 0.573 1357 M CB -1.523 30.988 32.600 -0.148 0.000 1.126 1357 M HN 0.278 nan 8.290 nan 0.000 0.859 1358 R N -2.445 117.994 120.500 -0.101 0.000 3.847 1358 R HA -0.160 4.180 4.340 0.000 0.000 0.304 1358 R C 0.892 177.119 176.300 -0.122 0.000 1.203 1358 R CA 1.600 57.642 56.100 -0.097 0.000 0.835 1358 R CB -2.277 27.965 30.300 -0.097 0.000 1.253 1358 R HN 0.967 nan 8.270 nan 0.000 0.516 1359 G N -2.913 105.813 108.800 -0.124 0.000 3.000 1359 G HA2 0.737 4.697 3.960 0.000 0.000 0.170 1359 G HA3 0.737 4.697 3.960 0.000 0.000 0.170 1359 G C -0.392 174.442 174.900 -0.111 0.000 1.160 1359 G CA 0.052 45.069 45.100 -0.138 0.000 0.945 1359 G HN 0.964 nan 8.290 nan 0.000 0.593 1360 A N -1.399 121.334 122.820 -0.144 0.000 6.880 1360 A HA -0.046 4.274 4.320 0.000 0.000 0.254 1360 A C -0.136 177.416 177.584 -0.053 0.000 2.140 1360 A CA 1.317 53.288 52.037 -0.109 0.000 0.766 1360 A CB -1.544 17.429 19.000 -0.045 0.000 0.986 1360 A HN 1.371 nan 8.150 nan 0.000 0.395 1361 H N -1.473 117.562 119.070 -0.058 0.000 2.797 1361 H HA 0.472 5.028 4.556 0.000 0.000 0.372 1361 H C 1.550 176.848 175.328 -0.050 0.000 1.168 1361 H CA -0.266 55.747 56.048 -0.059 0.000 1.163 1361 H CB 1.478 31.196 29.762 -0.074 0.000 1.778 1361 H HN 1.143 nan 8.280 nan 0.000 0.551 1362 T N -1.048 113.536 114.554 0.050 0.000 3.179 1362 T HA -0.183 4.167 4.350 0.000 0.000 0.269 1362 T C 0.618 175.308 174.700 -0.017 0.000 1.187 1362 T CA 0.483 62.578 62.100 -0.008 0.000 1.054 1362 T CB -0.682 68.147 68.868 -0.066 0.000 0.874 1362 T HN 0.318 nan 8.240 nan 0.000 0.568 1363 N N 1.126 119.807 118.700 -0.032 0.000 2.419 1363 N HA 0.164 4.904 4.740 0.000 0.000 0.264 1363 N C 0.410 175.916 175.510 -0.005 0.000 1.031 1363 N CA -0.521 52.484 53.050 -0.075 0.000 0.951 1363 N CB 1.100 39.469 38.487 -0.197 0.000 1.101 1363 N HN -0.056 nan 8.380 nan 0.000 0.488 1364 D N 2.710 123.159 120.400 0.080 0.000 2.097 1364 D HA -0.122 4.518 4.640 0.000 0.000 0.197 1364 D C 1.622 177.993 176.300 0.117 0.000 0.984 1364 D CA 1.137 55.288 54.000 0.253 0.000 0.826 1364 D CB 0.067 41.054 40.800 0.312 0.000 0.973 1364 D HN 0.381 nan 8.370 nan 0.000 0.460 1365 V N 1.588 121.544 119.914 0.070 0.000 2.392 1365 V HA -0.220 3.900 4.120 0.000 0.000 0.249 1365 V C 2.471 178.526 176.094 -0.066 0.000 1.059 1365 V CA 1.349 63.711 62.300 0.103 0.000 1.051 1365 V CB -0.432 31.487 31.823 0.161 0.000 0.658 1365 V HN 0.160 nan 8.190 nan 0.000 0.455 1366 K N 0.180 120.372 120.400 -0.347 0.000 1.985 1366 K HA -0.225 4.095 4.320 0.000 0.000 0.210 1366 K C 2.290 178.711 176.600 -0.298 0.000 1.047 1366 K CA 1.992 57.863 56.287 -0.694 0.000 0.932 1366 K CB -0.308 31.713 32.500 -0.797 0.000 0.716 1366 K HN 0.514 nan 8.250 nan 0.000 0.439 1367 Q N 0.366 120.061 119.800 -0.175 0.000 2.061 1367 Q HA -0.188 4.152 4.340 0.000 0.000 0.204 1367 Q C 2.108 177.845 176.000 -0.439 0.000 0.984 1367 Q CA 1.663 57.389 55.803 -0.127 0.000 0.846 1367 Q CB -0.193 28.598 28.738 0.089 0.000 0.902 1367 Q HN 0.177 nan 8.270 nan 0.000 0.421 1368 L N 0.466 121.327 121.223 -0.602 0.000 2.042 1368 L HA -0.197 4.143 4.340 0.000 0.000 0.210 1368 L C 2.444 179.183 176.870 -0.218 0.000 1.076 1368 L CA 2.553 57.009 54.840 -0.639 0.000 0.749 1368 L CB -1.124 40.697 42.059 -0.397 0.000 0.893 1368 L HN 0.431 nan 8.230 nan 0.000 0.432 1369 T N -3.909 110.673 114.554 0.047 0.000 2.867 1369 T HA -0.167 4.183 4.350 0.000 0.000 0.268 1369 T C 1.673 176.329 174.700 -0.074 0.000 1.057 1369 T CA 1.359 63.593 62.100 0.224 0.000 1.136 1369 T CB -0.537 68.516 68.868 0.308 0.000 0.874 1369 T HN 0.519 nan 8.240 nan 0.000 0.466 1370 E N 1.426 121.503 120.200 -0.206 0.000 2.106 1370 E HA 0.036 4.386 4.350 0.000 0.000 0.192 1370 E C 2.647 178.857 176.600 -0.651 0.000 0.984 1370 E CA 0.950 57.154 56.400 -0.327 0.000 0.806 1370 E CB -0.341 29.265 29.700 -0.158 0.000 0.750 1370 E HN 0.708 nan 8.360 nan 0.000 0.458 1371 A N 1.018 123.332 122.820 -0.843 0.000 1.898 1371 A HA -0.133 4.187 4.320 0.000 0.000 0.216 1371 A C 2.506 179.765 177.584 -0.542 0.000 1.181 1371 A CA 1.081 52.547 52.037 -0.952 0.000 0.620 1371 A CB -0.637 17.921 19.000 -0.737 0.000 0.819 1371 A HN 0.110 nan 8.150 nan 0.000 0.442 1372 V N 0.100 119.772 119.914 -0.403 0.000 2.407 1372 V HA -0.328 3.792 4.120 0.000 0.000 0.248 1372 V C 2.621 178.578 176.094 -0.228 0.000 1.055 1372 V CA 2.304 64.361 62.300 -0.406 0.000 1.049 1372 V CB -0.943 30.648 31.823 -0.386 0.000 0.662 1372 V HN 0.652 nan 8.190 nan 0.000 0.455 1373 Q N -0.237 119.416 119.800 -0.245 0.000 2.083 1373 Q HA -0.196 4.144 4.340 0.000 0.000 0.198 1373 Q C 2.378 178.364 176.000 -0.024 0.000 0.969 1373 Q CA 1.475 57.211 55.803 -0.112 0.000 0.838 1373 Q CB -0.217 28.273 28.738 -0.412 0.000 0.900 1373 Q HN 0.598 nan 8.270 nan 0.000 0.436 1374 K N 1.271 121.550 120.400 -0.202 0.000 2.002 1374 K HA -0.174 4.146 4.320 0.000 0.000 0.209 1374 K C 1.980 178.444 176.600 -0.227 0.000 1.048 1374 K CA 1.332 57.502 56.287 -0.195 0.000 0.930 1374 K CB -0.136 32.169 32.500 -0.325 0.000 0.714 1374 K HN 0.126 nan 8.250 nan 0.000 0.438 1375 I N 0.993 121.382 120.570 -0.302 0.000 2.226 1375 I HA -0.262 3.908 4.170 0.000 0.000 0.245 1375 I C 2.198 178.263 176.117 -0.087 0.000 1.100 1375 I CA 1.512 62.630 61.300 -0.305 0.000 1.374 1375 I CB -0.422 37.378 38.000 -0.333 0.000 1.057 1375 I HN 0.273 nan 8.210 nan 0.000 0.413 1376 T N -0.245 114.346 114.554 0.062 0.000 2.746 1376 T HA -0.154 4.196 4.350 0.000 0.000 0.267 1376 T C 1.931 176.525 174.700 -0.177 0.000 1.039 1376 T CA 1.934 64.015 62.100 -0.030 0.000 1.142 1376 T CB -0.377 68.384 68.868 -0.179 0.000 0.866 1376 T HN 0.353 nan 8.240 nan 0.000 0.444 1377 T N 2.247 116.795 114.554 -0.009 0.000 2.708 1377 T HA -0.103 4.247 4.350 0.000 0.000 0.266 1377 T C 1.973 176.641 174.700 -0.053 0.000 1.037 1377 T CA 1.233 63.389 62.100 0.093 0.000 1.146 1377 T CB -0.281 68.751 68.868 0.272 0.000 0.865 1377 T HN 0.555 nan 8.240 nan 0.000 0.435 1378 E N 0.861 120.932 120.200 -0.216 0.000 2.077 1378 E HA -0.110 4.240 4.350 0.000 0.000 0.193 1378 E C 2.481 178.901 176.600 -0.300 0.000 0.989 1378 E CA 1.114 57.268 56.400 -0.409 0.000 0.800 1378 E CB -0.236 28.997 29.700 -0.778 0.000 0.746 1378 E HN 0.324 nan 8.360 nan 0.000 0.452 1379 S N 0.763 116.320 115.700 -0.239 0.000 2.368 1379 S HA -0.146 4.324 4.470 0.000 0.000 0.225 1379 S C 2.025 176.478 174.600 -0.244 0.000 1.030 1379 S CA 0.829 58.937 58.200 -0.153 0.000 0.999 1379 S CB -0.185 63.027 63.200 0.021 0.000 0.844 1379 S HN 0.173 nan 8.310 nan 0.000 0.459 1380 I N 0.806 121.181 120.570 -0.325 0.000 2.226 1380 I HA -0.141 4.029 4.170 0.000 0.000 0.245 1380 I C 2.267 178.191 176.117 -0.321 0.000 1.100 1380 I CA 0.897 61.918 61.300 -0.464 0.000 1.374 1380 I CB -0.341 37.280 38.000 -0.632 0.000 1.057 1380 I HN 0.201 nan 8.210 nan 0.000 0.413 1381 V N 1.158 120.922 119.914 -0.250 0.000 2.261 1381 V HA -0.281 3.839 4.120 0.000 0.000 0.246 1381 V C 2.262 178.300 176.094 -0.092 0.000 1.047 1381 V CA 1.997 64.217 62.300 -0.132 0.000 1.015 1381 V CB -0.331 31.523 31.823 0.051 0.000 0.642 1381 V HN 0.308 nan 8.190 nan 0.000 0.446 1382 I N -1.541 118.827 120.570 -0.337 0.000 2.202 1382 I HA -0.217 3.953 4.170 0.000 0.000 0.242 1382 I C 2.211 177.842 176.117 -0.810 0.000 1.091 1382 I CA 1.757 62.649 61.300 -0.681 0.000 1.368 1382 I CB -0.318 36.832 38.000 -1.416 0.000 1.058 1382 I HN 0.413 nan 8.210 nan 0.000 0.410 1383 W N -0.177 120.846 121.300 -0.462 0.000 2.901 1383 W HA 0.360 5.020 4.660 0.000 0.000 0.281 1383 W C 1.570 177.494 176.519 -0.992 0.000 1.167 1383 W CA 0.785 57.672 57.345 -0.763 0.000 1.506 1383 W CB -0.374 28.605 29.460 -0.800 0.000 0.985 1383 W HN 0.331 nan 8.180 nan 0.000 0.590 1384 G N 1.915 110.287 108.800 -0.713 0.000 2.141 1384 G HA2 -0.268 3.692 3.960 0.000 0.000 0.231 1384 G HA3 -0.268 3.692 3.960 0.000 0.000 0.231 1384 G C 0.095 174.896 174.900 -0.164 0.000 0.984 1384 G CA 0.568 45.396 45.100 -0.453 0.000 0.660 1384 G HN 0.350 nan 8.290 nan 0.000 0.525 1385 K N -0.935 119.347 120.400 -0.197 0.000 2.536 1385 K HA 0.747 5.067 4.320 0.000 0.000 0.269 1385 K C -0.209 176.297 176.600 -0.157 0.000 0.965 1385 K CA -0.401 55.834 56.287 -0.088 0.000 0.860 1385 K CB 1.186 33.735 32.500 0.082 0.000 1.423 1385 K HN 0.454 nan 8.250 nan 0.000 0.438 1386 T N -0.604 113.881 114.554 -0.116 0.000 2.909 1386 T HA 0.541 4.891 4.350 0.000 0.000 0.286 1386 T C -2.165 172.491 174.700 -0.074 0.000 1.002 1386 T CA -1.543 60.479 62.100 -0.130 0.000 1.074 1386 T CB 1.055 69.850 68.868 -0.120 0.000 0.984 1386 T HN 0.521 nan 8.240 nan 0.000 0.495 1387 P HA 0.362 nan 4.420 nan 0.000 0.283 1387 P C -1.086 176.055 177.300 -0.264 0.000 1.271 1387 P CA -0.916 62.014 63.100 -0.283 0.000 0.841 1387 P CB 1.123 32.528 31.700 -0.493 0.000 1.122 1388 K N 1.525 121.761 120.400 -0.272 0.000 2.211 1388 K HA 0.334 4.654 4.320 0.000 0.000 0.275 1388 K C -0.943 175.514 176.600 -0.239 0.000 1.024 1388 K CA -0.508 55.703 56.287 -0.126 0.000 0.887 1388 K CB 0.126 32.572 32.500 -0.091 0.000 1.084 1388 K HN 0.230 nan 8.250 nan 0.000 0.463 1389 F N 2.852 122.750 119.950 -0.087 0.000 2.384 1389 F HA 0.287 4.814 4.527 0.000 0.000 0.338 1389 F C 0.626 176.319 175.800 -0.178 0.000 1.103 1389 F CA -0.376 57.548 58.000 -0.128 0.000 1.157 1389 F CB 1.170 40.094 39.000 -0.125 0.000 1.167 1389 F HN 0.274 nan 8.300 nan 0.000 0.529 1390 K N 4.509 124.903 120.400 -0.011 0.000 2.419 1390 K HA 0.397 4.717 4.320 0.000 0.000 0.244 1390 K C -1.098 175.464 176.600 -0.064 0.000 1.045 1390 K CA -0.255 56.001 56.287 -0.053 0.000 1.004 1390 K CB 0.600 33.096 32.500 -0.006 0.000 1.376 1390 K HN 0.497 nan 8.250 nan 0.000 0.460 1391 L N 4.786 125.881 121.223 -0.214 0.000 2.290 1391 L HA 0.264 4.604 4.340 0.000 0.000 0.284 1391 L C -1.728 175.113 176.870 -0.048 0.000 1.078 1391 L CA -1.875 52.820 54.840 -0.241 0.000 0.815 1391 L CB 0.570 42.239 42.059 -0.649 0.000 1.162 1391 L HN 0.305 nan 8.230 nan 0.000 0.435 1392 P HA 0.264 nan 4.420 nan 0.000 0.231 1392 P C -0.572 176.806 177.300 0.131 0.000 1.811 1392 P CA 0.300 63.462 63.100 0.103 0.000 1.051 1392 P CB 0.617 32.399 31.700 0.136 0.000 1.951 1393 I N -0.727 119.929 120.570 0.144 0.000 3.099 1393 I HA 0.229 4.399 4.170 0.000 0.000 0.308 1393 I C -1.383 174.794 176.117 0.100 0.000 1.405 1393 I CA -1.169 60.219 61.300 0.147 0.000 0.953 1393 I CB 2.895 40.999 38.000 0.173 0.000 1.324 1393 I HN -0.109 nan 8.210 nan 0.000 0.495 1394 Q N 4.483 124.303 119.800 0.034 0.000 2.295 1394 Q HA 0.129 4.469 4.340 0.000 0.000 0.259 1394 Q C 0.780 176.581 176.000 -0.331 0.000 0.976 1394 Q CA -0.007 55.746 55.803 -0.082 0.000 0.923 1394 Q CB 1.389 30.129 28.738 0.003 0.000 1.185 1394 Q HN 0.636 nan 8.270 nan 0.000 0.410 1395 K N 3.402 123.339 120.400 -0.772 0.000 2.097 1395 K HA -0.317 4.003 4.320 0.000 0.000 0.214 1395 K C 0.943 177.234 176.600 -0.514 0.000 1.052 1395 K CA 2.423 57.903 56.287 -1.345 0.000 0.932 1395 K CB 0.235 32.214 32.500 -0.869 0.000 0.716 1395 K HN 0.625 nan 8.250 nan 0.000 0.455 1396 E N -0.300 119.784 120.200 -0.193 0.000 2.051 1396 E HA -0.118 4.232 4.350 0.000 0.000 0.192 1396 E C 2.019 178.644 176.600 0.042 0.000 0.991 1396 E CA 1.923 58.329 56.400 0.010 0.000 0.799 1396 E CB -0.393 29.369 29.700 0.103 0.000 0.748 1396 E HN 0.367 nan 8.360 nan 0.000 0.449 1397 T N 0.492 115.101 114.554 0.091 0.000 2.746 1397 T HA -0.165 4.185 4.350 0.000 0.000 0.267 1397 T C 1.337 176.208 174.700 0.286 0.000 1.039 1397 T CA 1.094 63.346 62.100 0.253 0.000 1.142 1397 T CB -0.359 68.665 68.868 0.259 0.000 0.866 1397 T HN 0.388 nan 8.240 nan 0.000 0.444 1398 W N 2.196 123.469 121.300 -0.045 0.000 2.354 1398 W HA -0.125 4.535 4.660 0.000 0.000 0.315 1398 W C 1.849 178.336 176.519 -0.053 0.000 1.206 1398 W CA 1.308 58.618 57.345 -0.059 0.000 1.290 1398 W CB -0.227 29.134 29.460 -0.165 0.000 1.152 1398 W HN 0.374 nan 8.180 nan 0.000 0.489 1399 E N -0.374 119.719 120.200 -0.179 0.000 2.160 1399 E HA -0.200 4.150 4.350 0.000 0.000 0.195 1399 E C 2.010 178.231 176.600 -0.632 0.000 0.991 1399 E CA 2.029 58.134 56.400 -0.493 0.000 0.810 1399 E CB -0.368 28.717 29.700 -1.026 0.000 0.742 1399 E HN 0.165 nan 8.360 nan 0.000 0.466 1400 T N -0.599 113.708 114.554 -0.412 0.000 2.857 1400 T HA -0.098 4.252 4.350 0.000 0.000 0.266 1400 T C 0.898 175.153 174.700 -0.743 0.000 1.048 1400 T CA 1.033 62.844 62.100 -0.482 0.000 1.139 1400 T CB -0.104 68.436 68.868 -0.548 0.000 0.874 1400 T HN 0.362 nan 8.240 nan 0.000 0.455 1401 W N 0.164 121.350 121.300 -0.191 0.000 2.940 1401 W HA 0.273 4.933 4.660 0.000 0.000 0.297 1401 W C 1.984 178.274 176.519 -0.382 0.000 1.149 1401 W CA -1.210 55.998 57.345 -0.228 0.000 1.564 1401 W CB -0.202 29.239 29.460 -0.030 0.000 1.010 1401 W HN 0.272 nan 8.180 nan 0.000 0.578 1402 W N 1.792 122.726 121.300 -0.610 0.000 2.321 1402 W HA -0.259 4.401 4.660 0.000 0.000 0.306 1402 W C 1.632 177.917 176.519 -0.391 0.000 1.217 1402 W CA 2.504 59.378 57.345 -0.784 0.000 1.257 1402 W CB -2.033 26.415 29.460 -1.687 0.000 1.145 1402 W HN -0.021 nan 8.180 nan 0.000 0.509 1403 T N -0.872 112.861 114.554 -1.369 0.000 2.929 1403 T HA -0.223 4.127 4.350 0.000 0.000 0.271 1403 T C 1.473 175.894 174.700 -0.465 0.000 1.085 1403 T CA 1.739 63.188 62.100 -1.084 0.000 1.125 1403 T CB -0.517 67.627 68.868 -1.206 0.000 0.874 1403 T HN 0.117 nan 8.240 nan 0.000 0.494 1404 E N 0.684 120.604 120.200 -0.467 0.000 2.265 1404 E HA -0.059 4.291 4.350 0.000 0.000 0.196 1404 E C 0.523 176.729 176.600 -0.657 0.000 0.996 1404 E CA 1.028 57.104 56.400 -0.540 0.000 0.832 1404 E CB -0.226 29.048 29.700 -0.709 0.000 0.756 1404 E HN 0.862 nan 8.360 nan 0.000 0.491 1405 Y N -2.647 117.660 120.300 0.012 0.000 2.563 1405 Y HA 0.213 4.763 4.550 0.000 0.000 0.250 1405 Y C 0.120 176.051 175.900 0.050 0.000 1.126 1405 Y CA -0.932 57.181 58.100 0.022 0.000 1.231 1405 Y CB -0.097 38.375 38.460 0.019 0.000 1.288 1405 Y HN 0.017 nan 8.280 nan 0.000 0.537 1406 W N 3.385 124.662 121.300 -0.039 0.000 2.238 1406 W HA 0.193 4.853 4.660 0.000 0.000 0.321 1406 W C 0.072 176.539 176.519 -0.087 0.000 1.293 1406 W CA 0.587 57.914 57.345 -0.030 0.000 1.204 1406 W CB 1.030 30.482 29.460 -0.014 0.000 1.167 1406 W HN 0.253 nan 8.180 nan 0.000 0.553 1407 Q N 3.155 122.722 119.800 -0.388 0.000 2.126 1407 Q HA 0.204 4.544 4.340 0.000 0.000 0.233 1407 Q C 0.451 176.210 176.000 -0.402 0.000 0.788 1407 Q CA -0.226 55.402 55.803 -0.290 0.000 0.968 1407 Q CB 1.339 29.911 28.738 -0.276 0.000 1.163 1407 Q HN 0.389 nan 8.270 nan 0.000 0.471 1408 A N 0.786 123.138 122.820 -0.779 0.000 2.272 1408 A HA 0.338 4.658 4.320 0.000 0.000 0.275 1408 A C 1.002 178.369 177.584 -0.361 0.000 1.096 1408 A CA -0.011 51.513 52.037 -0.854 0.000 0.822 1408 A CB 0.394 18.262 19.000 -1.886 0.000 1.088 1408 A HN 0.220 nan 8.150 nan 0.000 0.495 1409 T N -2.133 112.163 114.554 -0.431 0.000 3.069 1409 T HA 0.209 4.559 4.350 0.000 0.000 0.252 1409 T C 0.281 175.057 174.700 0.128 0.000 1.053 1409 T CA -0.208 61.859 62.100 -0.055 0.000 0.964 1409 T CB -0.392 68.472 68.868 -0.005 0.000 1.005 1409 T HN 0.683 nan 8.240 nan 0.000 0.532 1410 W N 0.586 122.127 121.300 0.401 0.000 2.762 1410 W HA 0.794 5.454 4.660 0.000 0.000 0.355 1410 W C -1.280 175.527 176.519 0.479 0.000 1.124 1410 W CA -1.842 55.717 57.345 0.357 0.000 1.141 1410 W CB 0.806 30.466 29.460 0.333 0.000 1.432 1410 W HN -0.137 nan 8.180 nan 0.000 0.586 1411 I N 2.761 123.762 120.570 0.719 0.000 2.534 1411 I HA 0.258 4.428 4.170 0.000 0.000 0.288 1411 I C -2.131 174.109 176.117 0.205 0.000 1.077 1411 I CA -2.168 59.362 61.300 0.383 0.000 1.051 1411 I CB 2.380 40.354 38.000 -0.044 0.000 1.234 1411 I HN -0.002 nan 8.210 nan 0.000 0.425 1412 P HA 0.300 nan 4.420 nan 0.000 0.281 1412 P C -0.982 176.203 177.300 -0.192 0.000 1.281 1412 P CA -0.515 62.647 63.100 0.103 0.000 0.811 1412 P CB 1.006 32.913 31.700 0.345 0.000 1.154 1413 E N 0.149 120.304 120.200 -0.075 0.000 2.354 1413 E HA 0.269 4.619 4.350 0.000 0.000 0.269 1413 E C -0.597 175.982 176.600 -0.035 0.000 1.036 1413 E CA 0.303 56.589 56.400 -0.190 0.000 0.876 1413 E CB 0.358 30.016 29.700 -0.071 0.000 1.009 1413 E HN 0.473 nan 8.360 nan 0.000 0.416 1414 W N 0.636 121.848 121.300 -0.148 0.000 3.256 1414 W HA 0.454 5.114 4.660 0.000 0.000 0.324 1414 W C -0.952 175.282 176.519 -0.475 0.000 1.196 1414 W CA -1.093 56.057 57.345 -0.325 0.000 1.206 1414 W CB 0.065 29.201 29.460 -0.541 0.000 1.385 1414 W HN 0.444 nan 8.180 nan 0.000 0.522 1415 E N 1.464 121.526 120.200 -0.229 0.000 2.288 1415 E HA 0.686 5.036 4.350 0.000 0.000 0.268 1415 E C -1.761 174.530 176.600 -0.515 0.000 0.885 1415 E CA -1.085 55.150 56.400 -0.275 0.000 0.767 1415 E CB 2.141 31.809 29.700 -0.054 0.000 1.220 1415 E HN 0.280 nan 8.360 nan 0.000 0.427 1416 F N 1.801 121.755 119.950 0.007 0.000 2.371 1416 F HA 0.299 4.826 4.527 0.000 0.000 0.363 1416 F C 0.070 175.875 175.800 0.007 0.000 1.122 1416 F CA -0.628 57.348 58.000 -0.041 0.000 1.129 1416 F CB 1.155 40.125 39.000 -0.050 0.000 1.173 1416 F HN 0.211 nan 8.300 nan 0.000 0.489 1417 V N 2.389 122.367 119.914 0.107 0.000 3.336 1417 V HA 0.356 4.476 4.120 0.000 0.000 0.314 1417 V C -0.188 175.973 176.094 0.111 0.000 1.088 1417 V CA -1.005 61.356 62.300 0.102 0.000 1.033 1417 V CB 1.907 33.775 31.823 0.074 0.000 1.181 1417 V HN 0.702 nan 8.190 nan 0.000 0.449 1418 N N 0.470 119.229 118.700 0.100 0.000 2.491 1418 N HA 0.224 4.964 4.740 0.000 0.000 0.274 1418 N C -0.718 174.843 175.510 0.085 0.000 1.023 1418 N CA -0.268 52.837 53.050 0.091 0.000 0.902 1418 N CB 1.615 40.154 38.487 0.086 0.000 1.267 1418 N HN 0.699 nan 8.380 nan 0.000 0.503 1419 T N 4.385 118.984 114.554 0.075 0.000 2.829 1419 T HA 0.167 4.517 4.350 0.000 0.000 0.293 1419 T C -2.024 172.712 174.700 0.061 0.000 0.970 1419 T CA -0.275 61.863 62.100 0.064 0.000 1.168 1419 T CB 0.499 69.393 68.868 0.043 0.000 0.911 1419 T HN 0.418 nan 8.240 nan 0.000 0.535 1420 P HA 0.249 nan 4.420 nan 0.000 0.274 1420 P C -2.130 175.200 177.300 0.050 0.000 1.246 1420 P CA -1.565 61.591 63.100 0.093 0.000 0.795 1420 P CB 0.044 31.840 31.700 0.161 0.000 1.006 1421 P HA 0.021 nan 4.420 nan 0.000 0.263 1421 P C 1.002 178.276 177.300 -0.043 0.000 1.386 1421 P CA 0.175 63.285 63.100 0.017 0.000 0.797 1421 P CB -0.487 31.238 31.700 0.041 0.000 1.381 1422 L N -3.520 117.639 121.223 -0.105 0.000 1.994 1422 L HA -0.169 4.171 4.340 0.000 0.000 0.208 1422 L C 1.698 178.387 176.870 -0.302 0.000 1.071 1422 L CA 1.357 55.974 54.840 -0.373 0.000 0.745 1422 L CB -1.703 40.079 42.059 -0.462 0.000 0.892 1422 L HN -0.170 nan 8.230 nan 0.000 0.431 1423 V N 0.730 120.538 119.914 -0.175 0.000 2.407 1423 V HA -0.547 3.573 4.120 0.000 0.000 0.239 1423 V C 2.768 178.924 176.094 0.103 0.000 1.082 1423 V CA 3.085 65.335 62.300 -0.084 0.000 1.094 1423 V CB -1.400 30.382 31.823 -0.069 0.000 0.923 1423 V HN 0.621 nan 8.190 nan 0.000 0.471 1424 K N -0.106 120.356 120.400 0.104 0.000 2.207 1424 K HA -0.193 4.127 4.320 0.000 0.000 0.208 1424 K C 0.814 177.444 176.600 0.050 0.000 1.046 1424 K CA 1.651 58.043 56.287 0.175 0.000 0.929 1424 K CB -0.446 32.056 32.500 0.002 0.000 0.720 1424 K HN 0.584 nan 8.250 nan 0.000 0.463 1425 L N -0.003 121.152 121.223 -0.114 0.000 2.422 1425 L HA 0.175 4.515 4.340 0.000 0.000 0.256 1425 L C 0.769 177.572 176.870 -0.112 0.000 1.202 1425 L CA -0.671 54.034 54.840 -0.225 0.000 1.119 1425 L CB -0.550 41.129 42.059 -0.633 0.000 1.383 1425 L HN 0.211 nan 8.230 nan 0.000 0.411 1426 W N 0.910 122.105 121.300 -0.176 0.000 2.246 1426 W HA -0.391 4.269 4.660 0.000 0.000 0.353 1426 W C 1.612 178.035 176.519 -0.159 0.000 1.487 1426 W CA 1.078 58.351 57.345 -0.121 0.000 1.470 1426 W CB -0.764 28.685 29.460 -0.018 0.000 1.050 1426 W HN 0.538 nan 8.180 nan 0.000 0.471 1427 Y N 0.000 120.392 120.300 0.153 0.000 2.660 1427 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 1427 Y CA 0.000 58.130 58.100 0.050 0.000 1.940 1427 Y CB 0.000 38.502 38.460 0.070 0.000 1.050 1427 Y HN 0.000 nan 8.280 nan 0.000 0.758