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 1k3a_1_A DATA FIRST_RESID 958 DATA SEQUENCE VPDEWEVARE KITMSRELGQ GSFGMVYEGV AKGVVKDEPE TRVAIKTVNE DATA SEQUENCE AASMRERIEF LNEASVMKEF NCHHVVRLLG VVSQGQPTLV IMELMTRGDL DATA SEQUENCE KSYLRSLRPE MXXXXXXXXP SLSKMIQMAG EIADGMAYLN ANKFVHRDLA DATA SEQUENCE ARNCMVAEDF TVKIGDFGMT RDIXETDXXR KGGKGLLPVR WMSPESLKDG DATA SEQUENCE VFTTYSDVWS FGVVLWEIAT LAEQPYQGLS NEQVLRFVME GGLLDKPDNC DATA SEQUENCE PDMLLELMRM CWQYNPKMRP SFLEIISSIK EEMEPGFREV SFYYSEENK 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 958 V HA 0.000 nan 4.120 nan 0.000 0.244 958 V C 0.000 176.088 176.094 -0.010 0.000 1.182 958 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 958 V CB 0.000 31.814 31.823 -0.016 0.000 1.184 959 P HA 0.349 nan 4.420 nan 0.000 0.272 959 P C -0.986 176.304 177.300 -0.015 0.000 1.223 959 P CA 0.124 63.215 63.100 -0.015 0.000 0.784 959 P CB 0.736 32.423 31.700 -0.023 0.000 0.923 960 D N 1.000 121.402 120.400 0.002 0.000 2.363 960 D HA -0.049 4.591 4.640 0.000 0.000 0.263 960 D C 1.290 177.582 176.300 -0.014 0.000 1.258 960 D CA -0.100 53.914 54.000 0.024 0.000 0.907 960 D CB 0.629 41.462 40.800 0.055 0.000 1.107 960 D HN 0.472 nan 8.370 nan 0.000 0.495 961 E N 2.276 122.426 120.200 -0.083 0.000 2.333 961 E HA -0.169 4.181 4.350 0.000 0.000 0.198 961 E C 0.997 177.385 176.600 -0.354 0.000 1.007 961 E CA 0.795 57.043 56.400 -0.255 0.000 0.845 961 E CB -0.202 29.262 29.700 -0.395 0.000 0.766 961 E HN 0.596 nan 8.360 nan 0.000 0.507 962 W N 1.191 122.475 121.300 -0.028 0.000 2.942 962 W HA 0.211 4.871 4.660 -0.000 0.000 0.263 962 W C 0.617 177.122 176.519 -0.023 0.000 1.296 962 W CA -0.586 56.739 57.345 -0.032 0.000 1.504 962 W CB 0.491 29.923 29.460 -0.048 0.000 1.096 962 W HN -0.041 nan 8.180 nan 0.000 0.639 963 E N 1.525 121.821 120.200 0.160 0.000 2.344 963 E HA 0.246 4.596 4.350 0.000 0.000 0.270 963 E C -0.455 176.181 176.600 0.060 0.000 1.021 963 E CA -0.155 56.305 56.400 0.100 0.000 0.887 963 E CB 0.773 30.513 29.700 0.066 0.000 0.997 963 E HN -0.064 nan 8.360 nan 0.000 0.429 964 V N 1.687 121.637 119.914 0.060 0.000 2.735 964 V HA 0.862 4.982 4.120 0.000 0.000 0.310 964 V C -0.181 175.931 176.094 0.029 0.000 1.061 964 V CA -0.760 61.562 62.300 0.037 0.000 0.913 964 V CB 1.554 33.404 31.823 0.045 0.000 1.005 964 V HN 0.817 nan 8.190 nan 0.000 0.428 965 A N 3.993 126.823 122.820 0.016 0.000 2.524 965 A HA 0.357 4.677 4.320 0.000 0.000 0.250 965 A C 1.303 178.895 177.584 0.012 0.000 1.078 965 A CA 0.383 52.427 52.037 0.012 0.000 0.761 965 A CB -0.076 18.927 19.000 0.004 0.000 1.012 965 A HN 1.133 nan 8.150 nan 0.000 0.500 966 R N 1.110 121.617 120.500 0.011 0.000 2.139 966 R HA -0.214 4.126 4.340 0.000 0.000 0.243 966 R C 1.105 177.405 176.300 0.001 0.000 1.145 966 R CA 2.280 58.385 56.100 0.008 0.000 0.976 966 R CB -0.098 30.204 30.300 0.004 0.000 0.866 966 R HN 0.871 nan 8.270 nan 0.000 0.449 967 E N 0.362 120.561 120.200 -0.001 0.000 2.204 967 E HA -0.147 4.203 4.350 0.000 0.000 0.195 967 E C 1.329 177.926 176.600 -0.005 0.000 0.990 967 E CA 1.231 57.628 56.400 -0.005 0.000 0.821 967 E CB 0.059 29.756 29.700 -0.005 0.000 0.750 967 E HN 0.350 nan 8.360 nan 0.000 0.477 968 K N -0.096 120.304 120.400 -0.000 0.000 2.525 968 K HA 0.090 4.410 4.320 0.000 0.000 0.192 968 K C -0.348 176.254 176.600 0.004 0.000 1.029 968 K CA 0.126 56.413 56.287 0.001 0.000 1.029 968 K CB 0.273 32.775 32.500 0.003 0.000 0.814 968 K HN 0.062 nan 8.250 nan 0.000 0.503 969 I N 0.857 121.429 120.570 0.003 0.000 2.433 969 I HA 0.083 4.253 4.170 0.000 0.000 0.292 969 I C -0.026 176.084 176.117 -0.012 0.000 1.001 969 I CA -0.526 60.777 61.300 0.004 0.000 1.119 969 I CB 2.000 40.009 38.000 0.015 0.000 1.289 969 I HN -0.078 nan 8.210 nan 0.000 0.438 970 T N 3.572 118.118 114.554 -0.015 0.000 2.861 970 T HA 0.715 5.065 4.350 0.000 0.000 0.287 970 T C -0.475 174.199 174.700 -0.042 0.000 1.003 970 T CA -0.840 61.240 62.100 -0.033 0.000 0.977 970 T CB 1.250 70.104 68.868 -0.024 0.000 0.996 970 T HN 0.358 nan 8.240 nan 0.000 0.448 971 M N 3.147 122.692 119.600 -0.091 0.000 2.055 971 M HA 0.300 4.780 4.480 0.000 0.000 0.347 971 M C 0.911 177.164 176.300 -0.078 0.000 1.123 971 M CA -0.709 54.517 55.300 -0.123 0.000 1.035 971 M CB 1.388 33.770 32.600 -0.362 0.000 1.484 971 M HN 0.799 nan 8.290 nan 0.000 0.428 972 S N 2.964 118.657 115.700 -0.011 0.000 2.357 972 S HA 0.047 4.517 4.470 0.000 0.000 0.221 972 S C 0.663 175.284 174.600 0.035 0.000 1.031 972 S CA 0.836 59.041 58.200 0.009 0.000 0.982 972 S CB 0.103 63.316 63.200 0.022 0.000 0.853 972 S HN 0.791 nan 8.310 nan 0.000 0.458 973 R N 0.443 120.996 120.500 0.088 0.000 2.728 973 R HA 0.430 4.770 4.340 0.000 0.000 0.274 973 R C -1.997 174.454 176.300 0.253 0.000 1.030 973 R CA -0.919 55.262 56.100 0.135 0.000 0.876 973 R CB 0.935 31.285 30.300 0.083 0.000 1.259 973 R HN 0.011 nan 8.270 nan 0.000 0.468 974 E N 0.836 121.177 120.200 0.234 0.000 2.343 974 E HA 0.193 4.543 4.350 0.000 0.000 0.269 974 E C 0.139 176.763 176.600 0.039 0.000 1.047 974 E CA -0.330 56.153 56.400 0.139 0.000 0.874 974 E CB 1.490 31.217 29.700 0.046 0.000 1.033 974 E HN 0.428 nan 8.360 nan 0.000 0.409 975 L N 0.812 122.018 121.223 -0.028 0.000 2.467 975 L HA 0.321 4.661 4.340 0.000 0.000 0.213 975 L C 0.886 177.733 176.870 -0.039 0.000 1.053 975 L CA 0.319 55.150 54.840 -0.014 0.000 0.847 975 L CB 0.535 42.593 42.059 -0.002 0.000 1.075 975 L HN 0.738 nan 8.230 nan 0.000 0.479 976 G N -0.431 108.317 108.800 -0.087 0.000 2.347 976 G HA2 0.142 4.102 3.960 0.000 0.000 0.303 976 G HA3 0.142 4.102 3.960 0.000 0.000 0.303 976 G C -1.911 172.926 174.900 -0.104 0.000 1.481 976 G CA -0.716 44.338 45.100 -0.076 0.000 0.914 976 G HN -0.164 nan 8.290 nan 0.000 0.638 977 Q N -0.126 119.625 119.800 -0.081 0.000 2.332 977 Q HA 0.584 4.924 4.340 0.000 0.000 0.263 977 Q C 0.761 176.729 176.000 -0.053 0.000 0.979 977 Q CA 1.091 56.847 55.803 -0.077 0.000 0.885 977 Q CB 1.002 29.705 28.738 -0.059 0.000 1.218 977 Q HN 1.060 nan 8.270 nan 0.000 0.405 978 G N 1.084 109.862 108.800 -0.037 0.000 2.795 978 G HA2 0.287 4.247 3.960 0.000 0.000 0.267 978 G HA3 0.287 4.247 3.960 0.000 0.000 0.267 978 G C 0.260 175.135 174.900 -0.041 0.000 1.362 978 G CA -0.213 44.885 45.100 -0.004 0.000 1.048 978 G HN 0.663 nan 8.290 nan 0.000 0.547 979 S N -0.856 114.803 115.700 -0.069 0.000 2.356 979 S HA -0.064 4.406 4.470 0.000 0.000 0.223 979 S C 1.606 175.923 174.600 -0.472 0.000 1.032 979 S CA 1.597 59.591 58.200 -0.344 0.000 1.005 979 S CB -0.319 62.531 63.200 -0.584 0.000 0.867 979 S HN 0.422 nan 8.310 nan 0.000 0.449 980 F N 0.359 120.347 119.950 0.063 0.000 2.678 980 F HA 0.512 5.039 4.527 -0.000 0.000 0.305 980 F C 1.103 176.863 175.800 -0.066 0.000 1.090 980 F CA 0.079 58.082 58.000 0.006 0.000 1.272 980 F CB 0.510 39.526 39.000 0.027 0.000 1.060 980 F HN 0.273 nan 8.300 nan 0.000 0.576 981 G N -0.107 108.753 108.800 0.100 0.000 2.315 981 G HA2 0.343 4.303 3.960 0.000 0.000 0.294 981 G HA3 0.343 4.303 3.960 0.000 0.000 0.294 981 G C -1.672 173.213 174.900 -0.026 0.000 1.300 981 G CA -1.202 43.907 45.100 0.016 0.000 0.843 981 G HN -0.116 nan 8.290 nan 0.000 0.527 982 M N 0.834 120.374 119.600 -0.100 0.000 2.239 982 M HA 0.525 5.005 4.480 0.000 0.000 0.348 982 M C -0.196 175.883 176.300 -0.368 0.000 1.239 982 M CA -0.098 55.033 55.300 -0.282 0.000 1.114 982 M CB 0.840 33.175 32.600 -0.442 0.000 1.641 982 M HN 0.398 nan 8.290 nan 0.000 0.453 983 V N 7.321 127.028 119.914 -0.345 0.000 2.427 983 V HA 0.434 4.554 4.120 0.000 0.000 0.286 983 V C -0.871 175.037 176.094 -0.310 0.000 1.034 983 V CA -0.498 61.683 62.300 -0.197 0.000 0.893 983 V CB 0.696 32.488 31.823 -0.051 0.000 0.982 983 V HN 0.789 nan 8.190 nan 0.000 0.452 984 Y N 1.449 121.776 120.300 0.045 0.000 2.562 984 Y HA 0.553 5.103 4.550 -0.000 0.000 0.343 984 Y C 0.264 176.182 175.900 0.031 0.000 1.025 984 Y CA -0.944 57.176 58.100 0.033 0.000 1.082 984 Y CB 1.516 39.993 38.460 0.029 0.000 1.264 984 Y HN 0.586 nan 8.280 nan 0.000 0.478 985 E N 0.539 120.862 120.200 0.204 0.000 2.204 985 E HA 0.661 5.011 4.350 0.000 0.000 0.276 985 E C -0.498 176.162 176.600 0.100 0.000 0.974 985 E CA -0.366 56.103 56.400 0.115 0.000 0.815 985 E CB 1.350 31.096 29.700 0.076 0.000 1.119 985 E HN 0.906 nan 8.360 nan 0.000 0.393 986 G N 1.433 110.274 108.800 0.068 0.000 2.664 986 G HA2 0.462 4.422 3.960 0.000 0.000 0.303 986 G HA3 0.462 4.422 3.960 0.000 0.000 0.303 986 G C -1.497 173.421 174.900 0.029 0.000 1.243 986 G CA -0.376 44.749 45.100 0.041 0.000 0.826 986 G HN 0.450 nan 8.290 nan 0.000 0.498 987 V N -0.099 119.826 119.914 0.019 0.000 2.841 987 V HA 0.829 4.949 4.120 0.000 0.000 0.310 987 V C -0.205 175.898 176.094 0.015 0.000 1.090 987 V CA -0.229 62.081 62.300 0.015 0.000 0.930 987 V CB 1.558 33.386 31.823 0.008 0.000 1.014 987 V HN 1.579 nan 8.190 nan 0.000 0.425 988 A N 3.687 126.517 122.820 0.017 0.000 2.414 988 A HA 0.819 5.139 4.320 0.000 0.000 0.306 988 A C -0.773 176.817 177.584 0.010 0.000 1.054 988 A CA -0.795 51.252 52.037 0.017 0.000 0.724 988 A CB 1.490 20.506 19.000 0.028 0.000 1.267 988 A HN 0.757 nan 8.150 nan 0.000 0.418 989 K N 0.604 121.007 120.400 0.006 0.000 2.156 989 K HA 0.521 4.841 4.320 0.000 0.000 0.271 989 K C 0.814 177.412 176.600 -0.003 0.000 0.995 989 K CA 0.303 56.590 56.287 0.000 0.000 0.890 989 K CB 1.380 33.878 32.500 -0.003 0.000 1.073 989 K HN 1.598 nan 8.250 nan 0.000 0.454 990 G N 1.204 109.999 108.800 -0.008 0.000 2.305 990 G HA2 -0.242 3.718 3.960 0.000 0.000 0.287 990 G HA3 -0.242 3.718 3.960 0.000 0.000 0.287 990 G C 0.479 175.366 174.900 -0.022 0.000 1.036 990 G CA 0.602 45.692 45.100 -0.016 0.000 0.887 990 G HN 0.513 nan 8.290 nan 0.000 0.505 991 V N -4.155 115.751 119.914 -0.013 0.000 3.565 991 V HA 0.585 4.705 4.120 0.000 0.000 0.260 991 V C 0.914 176.994 176.094 -0.024 0.000 1.231 991 V CA 0.585 62.876 62.300 -0.015 0.000 1.100 991 V CB 0.681 32.514 31.823 0.016 0.000 0.807 991 V HN 0.452 nan 8.190 nan 0.000 0.454 992 V N 0.907 120.810 119.914 -0.018 0.000 2.604 992 V HA 0.706 4.826 4.120 0.000 0.000 0.305 992 V C 0.536 176.616 176.094 -0.024 0.000 1.043 992 V CA -0.476 61.813 62.300 -0.018 0.000 0.888 992 V CB 1.448 33.269 31.823 -0.003 0.000 0.995 992 V HN 0.510 nan 8.190 nan 0.000 0.429 993 K N 1.262 121.645 120.400 -0.030 0.000 2.469 993 K HA 0.201 4.521 4.320 0.000 0.000 0.274 993 K C 0.597 177.186 176.600 -0.019 0.000 0.983 993 K CA 0.438 56.708 56.287 -0.029 0.000 0.974 993 K CB -0.431 32.050 32.500 -0.031 0.000 0.913 993 K HN 0.949 nan 8.250 nan 0.000 0.493 994 D N -0.571 119.818 120.400 -0.019 0.000 2.955 994 D HA -0.162 4.478 4.640 0.000 0.000 0.226 994 D C -0.179 176.114 176.300 -0.011 0.000 1.178 994 D CA 1.949 55.940 54.000 -0.014 0.000 0.808 994 D CB -0.889 39.903 40.800 -0.013 0.000 1.099 994 D HN 0.832 nan 8.370 nan 0.000 0.421 995 E N -0.801 119.392 120.200 -0.011 0.000 2.279 995 E HA 0.265 4.615 4.350 0.000 0.000 0.252 995 E C -1.987 174.608 176.600 -0.008 0.000 0.894 995 E CA -1.895 54.500 56.400 -0.008 0.000 0.785 995 E CB 1.611 31.308 29.700 -0.005 0.000 1.237 995 E HN -0.228 nan 8.360 nan 0.000 0.418 996 P HA -0.201 nan 4.420 nan 0.000 0.213 996 P C -0.470 176.827 177.300 -0.005 0.000 1.176 996 P CA 1.361 64.457 63.100 -0.007 0.000 0.919 996 P CB 0.181 31.878 31.700 -0.005 0.000 0.791 997 E N -2.420 117.779 120.200 -0.002 0.000 2.369 997 E HA 0.593 4.943 4.350 0.000 0.000 0.270 997 E C -1.198 175.404 176.600 0.003 0.000 0.909 997 E CA -0.889 55.512 56.400 0.001 0.000 0.775 997 E CB 1.784 31.485 29.700 0.001 0.000 1.270 997 E HN -0.254 nan 8.360 nan 0.000 0.445 998 T N 0.879 115.438 114.554 0.007 0.000 2.912 998 T HA 0.382 4.732 4.350 0.000 0.000 0.299 998 T C -0.594 174.114 174.700 0.014 0.000 1.052 998 T CA -0.877 61.229 62.100 0.010 0.000 0.996 998 T CB 1.278 70.154 68.868 0.014 0.000 1.070 998 T HN 0.350 nan 8.240 nan 0.000 0.465 999 R N 1.483 121.991 120.500 0.013 0.000 2.491 999 R HA 0.589 4.929 4.340 0.000 0.000 0.283 999 R C 0.006 176.320 176.300 0.023 0.000 1.072 999 R CA -0.467 55.642 56.100 0.016 0.000 1.048 999 R CB 0.554 30.860 30.300 0.009 0.000 0.983 999 R HN 0.520 nan 8.270 nan 0.000 0.450 1000 V N -1.468 118.466 119.914 0.032 0.000 3.181 1000 V HA 0.862 4.982 4.120 0.000 0.000 0.308 1000 V C -0.837 175.290 176.094 0.055 0.000 1.214 1000 V CA -1.291 61.035 62.300 0.043 0.000 1.053 1000 V CB 2.032 33.885 31.823 0.050 0.000 1.069 1000 V HN 0.805 nan 8.190 nan 0.000 0.441 1001 A N 2.200 125.057 122.820 0.062 0.000 2.305 1001 A HA 0.904 5.224 4.320 0.000 0.000 0.322 1001 A C -0.553 177.092 177.584 0.102 0.000 1.187 1001 A CA -0.648 51.435 52.037 0.076 0.000 0.825 1001 A CB 0.519 19.554 19.000 0.059 0.000 1.164 1001 A HN 0.930 nan 8.150 nan 0.000 0.498 1002 I N 2.848 123.504 120.570 0.144 0.000 2.390 1002 I HA 0.233 4.403 4.170 0.000 0.000 0.283 1002 I C -0.256 175.991 176.117 0.215 0.000 1.016 1002 I CA -0.288 61.122 61.300 0.182 0.000 1.151 1002 I CB 1.559 39.683 38.000 0.207 0.000 1.293 1002 I HN 0.581 nan 8.210 nan 0.000 0.458 1003 K N 5.023 125.551 120.400 0.213 0.000 2.227 1003 K HA 0.504 4.824 4.320 0.000 0.000 0.280 1003 K C 0.080 176.873 176.600 0.322 0.000 1.041 1003 K CA -0.501 55.946 56.287 0.266 0.000 0.905 1003 K CB 1.684 34.370 32.500 0.310 0.000 1.068 1003 K HN 0.636 nan 8.250 nan 0.000 0.470 1004 T N -1.809 112.856 114.554 0.186 0.000 2.942 1004 T HA 0.539 4.889 4.350 0.000 0.000 0.289 1004 T C -0.328 174.224 174.700 -0.246 0.000 1.044 1004 T CA -0.823 61.286 62.100 0.016 0.000 1.023 1004 T CB 1.385 70.323 68.868 0.118 0.000 1.123 1004 T HN 0.155 nan 8.240 nan 0.000 0.512 1005 V N 1.617 121.274 119.914 -0.428 0.000 2.448 1005 V HA 0.618 4.738 4.120 0.000 0.000 0.295 1005 V C 1.006 176.992 176.094 -0.180 0.000 1.025 1005 V CA -0.863 61.170 62.300 -0.446 0.000 0.859 1005 V CB 0.653 32.046 31.823 -0.716 0.000 0.988 1005 V HN 1.284 nan 8.190 nan 0.000 0.431 1006 N N 2.199 120.848 118.700 -0.084 0.000 2.357 1006 N HA 0.299 5.039 4.740 0.000 0.000 0.257 1006 N C 1.210 176.693 175.510 -0.045 0.000 1.250 1006 N CA 0.563 53.591 53.050 -0.038 0.000 0.862 1006 N CB 0.196 38.676 38.487 -0.012 0.000 1.066 1006 N HN 1.102 nan 8.380 nan 0.000 0.468 1007 E N -0.360 119.821 120.200 -0.031 0.000 2.455 1007 E HA 0.162 4.512 4.350 0.000 0.000 0.202 1007 E C 1.881 178.469 176.600 -0.020 0.000 1.045 1007 E CA 1.523 57.906 56.400 -0.028 0.000 0.872 1007 E CB -0.445 29.246 29.700 -0.016 0.000 0.792 1007 E HN 1.273 nan 8.360 nan 0.000 0.542 1008 A N -0.609 122.203 122.820 -0.014 0.000 2.348 1008 A HA 0.698 5.018 4.320 0.000 0.000 0.224 1008 A C 1.669 179.252 177.584 -0.002 0.000 1.227 1008 A CA 0.639 52.672 52.037 -0.006 0.000 0.885 1008 A CB -0.102 18.897 19.000 -0.002 0.000 0.933 1008 A HN 0.833 nan 8.150 nan 0.000 0.506 1009 A N 0.926 123.742 122.820 -0.006 0.000 2.448 1009 A HA 0.470 4.790 4.320 0.000 0.000 0.239 1009 A C 1.019 178.611 177.584 0.012 0.000 1.080 1009 A CA 0.427 52.471 52.037 0.011 0.000 0.779 1009 A CB -0.125 18.881 19.000 0.011 0.000 1.026 1009 A HN 1.063 nan 8.150 nan 0.000 0.499 1010 S N 1.706 117.424 115.700 0.030 0.000 2.645 1010 S HA 0.307 4.777 4.470 0.000 0.000 0.266 1010 S C 1.161 175.777 174.600 0.026 0.000 1.258 1010 S CA 0.169 58.384 58.200 0.026 0.000 0.990 1010 S CB 0.569 63.788 63.200 0.033 0.000 0.967 1010 S HN 0.830 nan 8.310 nan 0.000 0.556 1011 M N 1.035 120.647 119.600 0.019 0.000 2.117 1011 M HA -0.113 4.367 4.480 0.000 0.000 0.262 1011 M C 2.670 178.987 176.300 0.028 0.000 1.065 1011 M CA 2.083 57.392 55.300 0.016 0.000 1.114 1011 M CB -0.765 31.842 32.600 0.012 0.000 1.361 1011 M HN 0.918 nan 8.290 nan 0.000 0.408 1012 R N 0.794 121.318 120.500 0.039 0.000 2.083 1012 R HA -0.197 4.143 4.340 0.000 0.000 0.237 1012 R C 1.693 178.049 176.300 0.093 0.000 1.137 1012 R CA 2.356 58.490 56.100 0.056 0.000 0.951 1012 R CB -1.939 28.395 30.300 0.056 0.000 0.851 1012 R HN 0.739 nan 8.270 nan 0.000 0.434 1013 E N -0.383 119.892 120.200 0.124 0.000 2.072 1013 E HA -0.101 4.249 4.350 0.000 0.000 0.191 1013 E C 2.472 179.135 176.600 0.105 0.000 0.985 1013 E CA 0.963 57.507 56.400 0.239 0.000 0.801 1013 E CB -0.116 29.749 29.700 0.275 0.000 0.750 1013 E HN 0.498 nan 8.360 nan 0.000 0.452 1014 R N 0.477 120.992 120.500 0.026 0.000 2.096 1014 R HA -0.111 4.229 4.340 0.000 0.000 0.235 1014 R C 2.363 178.653 176.300 -0.018 0.000 1.127 1014 R CA 1.034 57.111 56.100 -0.038 0.000 0.968 1014 R CB -0.202 30.078 30.300 -0.034 0.000 0.861 1014 R HN 0.215 nan 8.270 nan 0.000 0.440 1015 I N 0.464 121.033 120.570 -0.001 0.000 2.202 1015 I HA -0.257 3.913 4.170 0.000 0.000 0.242 1015 I C 1.996 178.094 176.117 -0.032 0.000 1.091 1015 I CA 1.434 62.729 61.300 -0.009 0.000 1.368 1015 I CB -0.267 37.736 38.000 0.006 0.000 1.058 1015 I HN 0.241 nan 8.210 nan 0.000 0.410 1016 E N 0.422 120.619 120.200 -0.005 0.000 2.077 1016 E HA -0.257 4.093 4.350 0.000 0.000 0.193 1016 E C 2.068 178.537 176.600 -0.218 0.000 0.989 1016 E CA 1.401 57.800 56.400 -0.000 0.000 0.800 1016 E CB -0.196 29.643 29.700 0.232 0.000 0.746 1016 E HN 0.386 nan 8.360 nan 0.000 0.452 1017 F N 1.425 120.927 119.950 -0.746 0.000 2.069 1017 F HA -0.212 4.315 4.527 0.000 0.000 0.298 1017 F C 1.939 177.479 175.800 -0.434 0.000 1.113 1017 F CA 1.447 58.854 58.000 -0.988 0.000 1.214 1017 F CB -0.123 38.262 39.000 -1.025 0.000 0.978 1017 F HN -0.082 nan 8.300 nan 0.000 0.474 1018 L N -0.045 121.093 121.223 -0.141 0.000 2.141 1018 L HA -0.216 4.124 4.340 0.000 0.000 0.209 1018 L C 2.080 178.817 176.870 -0.221 0.000 1.094 1018 L CA 1.543 56.287 54.840 -0.161 0.000 0.763 1018 L CB -0.889 41.150 42.059 -0.033 0.000 0.908 1018 L HN 0.250 nan 8.230 nan 0.000 0.437 1019 N N -0.354 118.240 118.700 -0.177 0.000 2.166 1019 N HA -0.228 4.512 4.740 0.000 0.000 0.186 1019 N C 1.792 177.180 175.510 -0.203 0.000 1.019 1019 N CA 0.849 53.807 53.050 -0.154 0.000 0.856 1019 N CB 0.041 38.475 38.487 -0.089 0.000 0.993 1019 N HN 0.361 nan 8.380 nan 0.000 0.426 1020 E N 0.745 120.803 120.200 -0.237 0.000 2.106 1020 E HA -0.141 4.209 4.350 0.000 0.000 0.192 1020 E C 1.925 178.334 176.600 -0.318 0.000 0.984 1020 E CA 0.774 57.042 56.400 -0.219 0.000 0.806 1020 E CB 0.039 29.628 29.700 -0.186 0.000 0.750 1020 E HN 0.356 nan 8.360 nan 0.000 0.458 1021 A N 0.366 122.938 122.820 -0.414 0.000 1.898 1021 A HA -0.141 4.179 4.320 0.000 0.000 0.216 1021 A C 2.346 179.635 177.584 -0.491 0.000 1.181 1021 A CA 1.617 53.385 52.037 -0.448 0.000 0.620 1021 A CB -0.483 18.256 19.000 -0.434 0.000 0.819 1021 A HN 0.206 nan 8.150 nan 0.000 0.442 1022 S N -0.345 115.114 115.700 -0.402 0.000 2.359 1022 S HA -0.151 4.319 4.470 0.000 0.000 0.224 1022 S C 1.908 176.219 174.600 -0.482 0.000 1.035 1022 S CA 1.521 59.484 58.200 -0.395 0.000 1.018 1022 S CB -0.501 62.549 63.200 -0.250 0.000 0.876 1022 S HN 0.353 nan 8.310 nan 0.000 0.448 1023 V N 2.130 121.762 119.914 -0.470 0.000 2.332 1023 V HA -0.209 3.911 4.120 0.000 0.000 0.248 1023 V C 2.182 177.540 176.094 -1.226 0.000 1.055 1023 V CA 1.733 63.642 62.300 -0.651 0.000 1.038 1023 V CB -0.658 30.889 31.823 -0.461 0.000 0.651 1023 V HN 0.503 nan 8.190 nan 0.000 0.450 1024 M N -0.759 118.219 119.600 -1.036 0.000 2.296 1024 M HA -0.165 4.315 4.480 0.000 0.000 0.265 1024 M C 2.104 177.790 176.300 -1.024 0.000 1.064 1024 M CA 1.495 56.109 55.300 -1.145 0.000 1.109 1024 M CB -0.469 31.771 32.600 -0.600 0.000 1.396 1024 M HN 0.259 nan 8.290 nan 0.000 0.430 1025 K N 0.206 120.022 120.400 -0.972 0.000 2.280 1025 K HA -0.127 4.193 4.320 0.000 0.000 0.202 1025 K C 1.474 177.807 176.600 -0.444 0.000 1.047 1025 K CA 0.767 56.472 56.287 -0.970 0.000 0.942 1025 K CB -0.047 31.844 32.500 -1.015 0.000 0.739 1025 K HN 0.352 nan 8.250 nan 0.000 0.457 1026 E N 0.054 119.880 120.200 -0.624 0.000 2.435 1026 E HA -0.005 4.345 4.350 0.000 0.000 0.195 1026 E C -0.136 176.429 176.600 -0.058 0.000 1.029 1026 E CA 0.443 56.645 56.400 -0.330 0.000 0.865 1026 E CB 0.167 29.645 29.700 -0.369 0.000 0.833 1026 E HN 0.113 nan 8.360 nan 0.000 0.510 1027 F N 1.260 121.140 119.950 -0.118 0.000 2.404 1027 F HA 0.371 4.898 4.527 0.000 0.000 0.339 1027 F C 0.610 176.426 175.800 0.026 0.000 1.105 1027 F CA -1.852 56.165 58.000 0.028 0.000 1.087 1027 F CB 0.520 39.436 39.000 -0.140 0.000 1.143 1027 F HN -0.249 nan 8.300 nan 0.000 0.491 1028 N N 2.084 120.909 118.700 0.207 0.000 2.707 1028 N HA 0.327 5.067 4.740 0.000 0.000 0.249 1028 N C -1.967 173.351 175.510 -0.319 0.000 1.299 1028 N CA -0.053 53.007 53.050 0.017 0.000 0.769 1028 N CB 0.814 39.373 38.487 0.119 0.000 1.236 1028 N HN 0.713 nan 8.380 nan 0.000 0.524 1029 C N 2.445 121.491 119.300 -0.423 0.000 2.686 1029 C HA 0.402 4.862 4.460 0.000 0.000 0.318 1029 C C 1.600 176.455 174.990 -0.225 0.000 1.160 1029 C CA -0.555 58.149 59.018 -0.522 0.000 1.396 1029 C CB 0.520 27.599 27.740 -1.101 0.000 1.924 1029 C HN 0.930 nan 8.230 nan 0.000 0.471 1030 H N 1.446 120.359 119.070 -0.262 0.000 2.457 1030 H HA -0.041 4.515 4.556 0.000 0.000 0.297 1030 H C 1.046 176.164 175.328 -0.349 0.000 1.092 1030 H CA 2.351 58.215 56.048 -0.307 0.000 1.309 1030 H CB 0.000 29.515 29.762 -0.413 0.000 1.382 1030 H HN 0.857 nan 8.280 nan 0.000 0.535 1031 H N -1.292 117.747 119.070 -0.050 0.000 2.507 1031 H HA 0.362 4.918 4.556 -0.000 0.000 0.294 1031 H C -0.736 174.559 175.328 -0.055 0.000 1.064 1031 H CA -0.196 55.822 56.048 -0.049 0.000 1.138 1031 H CB 0.653 30.458 29.762 0.071 0.000 1.515 1031 H HN 0.006 nan 8.280 nan 0.000 0.547 1032 V N 1.446 121.354 119.914 -0.010 0.000 2.577 1032 V HA 0.116 4.236 4.120 0.000 0.000 0.303 1032 V C -0.007 176.133 176.094 0.076 0.000 1.042 1032 V CA -1.126 61.213 62.300 0.065 0.000 0.872 1032 V CB 2.344 34.161 31.823 -0.011 0.000 0.998 1032 V HN 0.001 nan 8.190 nan 0.000 0.423 1033 V N 5.008 125.013 119.914 0.153 0.000 2.557 1033 V HA 0.055 4.175 4.120 0.000 0.000 0.301 1033 V C 0.768 176.944 176.094 0.136 0.000 1.026 1033 V CA 0.220 62.589 62.300 0.115 0.000 1.137 1033 V CB 0.148 32.045 31.823 0.124 0.000 0.917 1033 V HN 0.896 nan 8.190 nan 0.000 0.484 1034 R N 4.608 125.151 120.500 0.071 0.000 2.308 1034 R HA 0.439 4.779 4.340 0.000 0.000 0.305 1034 R C -0.527 175.817 176.300 0.074 0.000 1.053 1034 R CA -0.775 55.370 56.100 0.074 0.000 0.957 1034 R CB 0.818 31.154 30.300 0.061 0.000 1.022 1034 R HN 0.618 nan 8.270 nan 0.000 0.461 1035 L N 5.321 126.569 121.223 0.042 0.000 2.380 1035 L HA 0.189 4.529 4.340 0.000 0.000 0.273 1035 L C -0.283 176.712 176.870 0.209 0.000 1.138 1035 L CA 0.483 55.322 54.840 -0.003 0.000 0.832 1035 L CB 1.008 42.888 42.059 -0.298 0.000 1.124 1035 L HN 0.892 nan 8.230 nan 0.000 0.454 1036 L N 4.323 125.671 121.223 0.208 0.000 2.749 1036 L HA 0.560 4.900 4.340 0.000 0.000 0.242 1036 L C 0.708 177.760 176.870 0.302 0.000 1.103 1036 L CA 0.308 55.303 54.840 0.259 0.000 0.906 1036 L CB 0.392 42.529 42.059 0.131 0.000 1.228 1036 L HN 0.852 nan 8.230 nan 0.000 0.517 1037 G N -0.522 108.452 108.800 0.290 0.000 2.338 1037 G HA2 0.446 4.406 3.960 0.000 0.000 0.295 1037 G HA3 0.446 4.406 3.960 0.000 0.000 0.295 1037 G C -2.039 172.959 174.900 0.164 0.000 1.461 1037 G CA -0.491 44.775 45.100 0.277 0.000 0.817 1037 G HN -0.306 nan 8.290 nan 0.000 0.556 1038 V N -0.389 119.618 119.914 0.155 0.000 2.760 1038 V HA 0.663 4.783 4.120 0.000 0.000 0.309 1038 V C -0.424 175.727 176.094 0.094 0.000 1.077 1038 V CA -0.786 61.574 62.300 0.099 0.000 0.910 1038 V CB 2.039 33.899 31.823 0.062 0.000 1.008 1038 V HN 0.816 nan 8.190 nan 0.000 0.424 1039 V N 3.401 123.367 119.914 0.087 0.000 2.284 1039 V HA 0.283 4.403 4.120 0.000 0.000 0.274 1039 V C 0.774 176.904 176.094 0.060 0.000 1.023 1039 V CA 0.142 62.482 62.300 0.066 0.000 0.808 1039 V CB 1.266 33.123 31.823 0.058 0.000 1.035 1039 V HN 1.047 nan 8.190 nan 0.000 0.445 1040 S N 2.453 118.183 115.700 0.050 0.000 2.575 1040 S HA 0.313 4.783 4.470 0.000 0.000 0.237 1040 S C 0.331 174.945 174.600 0.023 0.000 0.975 1040 S CA -0.459 57.764 58.200 0.038 0.000 0.960 1040 S CB 0.178 63.400 63.200 0.037 0.000 0.822 1040 S HN 0.577 nan 8.310 nan 0.000 0.472 1041 Q N 1.440 121.253 119.800 0.021 0.000 2.331 1041 Q HA 0.621 4.961 4.340 0.000 0.000 0.267 1041 Q C 0.491 176.496 176.000 0.008 0.000 1.006 1041 Q CA 0.395 56.205 55.803 0.013 0.000 0.818 1041 Q CB 1.463 30.209 28.738 0.013 0.000 1.276 1041 Q HN 0.579 nan 8.270 nan 0.000 0.450 1042 G N 2.458 111.260 108.800 0.003 0.000 2.760 1042 G HA2 -0.171 3.789 3.960 0.000 0.000 0.246 1042 G HA3 -0.171 3.789 3.960 0.000 0.000 0.246 1042 G C -0.968 173.928 174.900 -0.005 0.000 1.359 1042 G CA -0.745 44.355 45.100 -0.001 0.000 0.861 1042 G HN 0.445 nan 8.290 nan 0.000 0.541 1043 Q N 0.316 120.111 119.800 -0.008 0.000 2.342 1043 Q HA 0.641 4.981 4.340 0.000 0.000 0.267 1043 Q C -1.850 174.144 176.000 -0.011 0.000 1.038 1043 Q CA -1.347 54.448 55.803 -0.013 0.000 0.832 1043 Q CB 2.235 30.965 28.738 -0.014 0.000 1.323 1043 Q HN 0.691 nan 8.270 nan 0.000 0.448 1044 P HA 0.294 nan 4.420 nan 0.000 0.280 1044 P C -0.661 176.621 177.300 -0.029 0.000 1.272 1044 P CA -0.438 62.648 63.100 -0.024 0.000 0.819 1044 P CB 0.798 32.490 31.700 -0.013 0.000 1.122 1045 T N 1.329 115.841 114.554 -0.071 0.000 2.834 1045 T HA 0.355 4.705 4.350 0.000 0.000 0.298 1045 T C 0.300 174.983 174.700 -0.027 0.000 0.966 1045 T CA 0.099 62.168 62.100 -0.053 0.000 1.141 1045 T CB -0.246 68.559 68.868 -0.106 0.000 0.905 1045 T HN 0.184 nan 8.240 nan 0.000 0.535 1046 L N 2.779 124.057 121.223 0.092 0.000 2.333 1046 L HA 0.826 5.166 4.340 0.000 0.000 0.263 1046 L C -0.699 176.316 176.870 0.243 0.000 1.014 1046 L CA -1.278 53.665 54.840 0.172 0.000 0.820 1046 L CB 2.084 44.214 42.059 0.118 0.000 1.352 1046 L HN 0.282 nan 8.230 nan 0.000 0.421 1047 V N 2.539 122.614 119.914 0.268 0.000 2.623 1047 V HA 0.470 4.590 4.120 0.000 0.000 0.304 1047 V C -0.471 175.692 176.094 0.115 0.000 1.054 1047 V CA -0.443 61.939 62.300 0.137 0.000 0.882 1047 V CB 2.242 34.061 31.823 -0.007 0.000 1.002 1047 V HN 0.612 nan 8.190 nan 0.000 0.424 1048 I N 2.682 123.304 120.570 0.087 0.000 2.404 1048 I HA 0.827 4.997 4.170 0.000 0.000 0.293 1048 I C -0.512 175.649 176.117 0.073 0.000 0.992 1048 I CA -0.416 60.936 61.300 0.087 0.000 1.149 1048 I CB 1.706 39.758 38.000 0.086 0.000 1.315 1048 I HN 0.515 nan 8.210 nan 0.000 0.446 1049 M N 3.402 123.042 119.600 0.067 0.000 2.691 1049 M HA 0.380 4.860 4.480 0.000 0.000 0.293 1049 M C -0.365 175.967 176.300 0.054 0.000 1.259 1049 M CA -0.678 54.657 55.300 0.059 0.000 0.827 1049 M CB 2.305 34.935 32.600 0.050 0.000 1.753 1049 M HN 0.682 nan 8.290 nan 0.000 0.465 1050 E N 1.602 121.831 120.200 0.048 0.000 2.529 1050 E HA 0.030 4.380 4.350 0.000 0.000 0.259 1050 E C -1.397 175.216 176.600 0.021 0.000 0.966 1050 E CA -0.221 56.197 56.400 0.030 0.000 0.937 1050 E CB 0.680 30.391 29.700 0.019 0.000 0.923 1050 E HN 0.428 nan 8.360 nan 0.000 0.468 1051 L N 5.539 126.770 121.223 0.012 0.000 2.319 1051 L HA 0.180 4.520 4.340 0.000 0.000 0.280 1051 L C -0.644 176.216 176.870 -0.016 0.000 1.099 1051 L CA 0.194 55.038 54.840 0.006 0.000 0.828 1051 L CB 1.039 43.102 42.059 0.007 0.000 1.150 1051 L HN 0.598 nan 8.230 nan 0.000 0.442 1052 M N 4.961 124.548 119.600 -0.020 0.000 2.065 1052 M HA 0.186 4.666 4.480 0.000 0.000 0.332 1052 M C 1.283 177.551 176.300 -0.052 0.000 0.988 1052 M CA -0.247 55.026 55.300 -0.045 0.000 0.944 1052 M CB 0.402 32.979 32.600 -0.037 0.000 1.357 1052 M HN 0.790 nan 8.290 nan 0.000 0.388 1053 T N -0.423 114.089 114.554 -0.070 0.000 2.778 1053 T HA -0.160 4.190 4.350 0.000 0.000 0.269 1053 T C 1.503 176.158 174.700 -0.075 0.000 1.050 1053 T CA 1.333 63.392 62.100 -0.068 0.000 1.137 1053 T CB -0.066 68.752 68.868 -0.082 0.000 0.860 1053 T HN 0.415 nan 8.240 nan 0.000 0.468 1054 R N 1.498 121.927 120.500 -0.119 0.000 2.319 1054 R HA 0.473 4.813 4.340 0.000 0.000 0.204 1054 R C 1.564 177.850 176.300 -0.023 0.000 0.954 1054 R CA 0.505 56.544 56.100 -0.102 0.000 1.066 1054 R CB -0.635 29.513 30.300 -0.254 0.000 0.991 1054 R HN 0.728 nan 8.270 nan 0.000 0.486 1055 G N 0.836 109.625 108.800 -0.018 0.000 2.697 1055 G HA2 -0.303 3.657 3.960 0.000 0.000 0.240 1055 G HA3 -0.303 3.657 3.960 0.000 0.000 0.240 1055 G C -0.818 174.093 174.900 0.018 0.000 1.346 1055 G CA -0.200 44.907 45.100 0.011 0.000 0.887 1055 G HN 0.455 nan 8.290 nan 0.000 0.569 1056 D N -0.165 120.255 120.400 0.034 0.000 2.362 1056 D HA 0.233 4.873 4.640 0.000 0.000 0.242 1056 D C 1.689 178.042 176.300 0.089 0.000 1.132 1056 D CA -0.113 53.908 54.000 0.036 0.000 0.907 1056 D CB 1.422 42.234 40.800 0.020 0.000 1.195 1056 D HN 0.606 nan 8.370 nan 0.000 0.429 1057 L N 1.695 122.970 121.223 0.086 0.000 2.131 1057 L HA -0.153 4.187 4.340 0.000 0.000 0.210 1057 L C 2.433 179.404 176.870 0.168 0.000 1.092 1057 L CA 1.724 56.657 54.840 0.154 0.000 0.759 1057 L CB -0.786 41.342 42.059 0.115 0.000 0.903 1057 L HN 0.601 nan 8.230 nan 0.000 0.435 1058 K N -1.101 119.366 120.400 0.113 0.000 2.026 1058 K HA -0.142 4.178 4.320 0.000 0.000 0.208 1058 K C 2.032 178.687 176.600 0.091 0.000 1.048 1058 K CA 1.682 58.032 56.287 0.104 0.000 0.929 1058 K CB -0.127 32.429 32.500 0.093 0.000 0.713 1058 K HN 0.373 nan 8.250 nan 0.000 0.439 1059 S N 0.140 115.897 115.700 0.093 0.000 2.382 1059 S HA -0.171 4.299 4.470 0.000 0.000 0.228 1059 S C 1.626 176.286 174.600 0.101 0.000 1.027 1059 S CA 1.232 59.481 58.200 0.082 0.000 0.991 1059 S CB -0.487 62.760 63.200 0.078 0.000 0.823 1059 S HN 0.441 nan 8.310 nan 0.000 0.469 1060 Y N 2.283 122.607 120.300 0.040 0.000 2.181 1060 Y HA -0.042 4.508 4.550 -0.000 0.000 0.288 1060 Y C 1.793 177.719 175.900 0.044 0.000 1.146 1060 Y CA 1.085 59.218 58.100 0.054 0.000 1.164 1060 Y CB -0.480 38.025 38.460 0.075 0.000 0.982 1060 Y HN 0.142 nan 8.280 nan 0.000 0.515 1061 L N -0.417 120.743 121.223 -0.105 0.000 2.056 1061 L HA -0.201 4.139 4.340 0.000 0.000 0.207 1061 L C 2.654 179.424 176.870 -0.166 0.000 1.078 1061 L CA 1.058 55.786 54.840 -0.186 0.000 0.749 1061 L CB -0.513 41.524 42.059 -0.038 0.000 0.901 1061 L HN 0.072 nan 8.230 nan 0.000 0.433 1062 R N 0.212 120.665 120.500 -0.079 0.000 2.091 1062 R HA -0.134 4.206 4.340 0.000 0.000 0.238 1062 R C 2.514 178.764 176.300 -0.083 0.000 1.136 1062 R CA 1.700 57.765 56.100 -0.058 0.000 0.959 1062 R CB -1.175 29.119 30.300 -0.010 0.000 0.856 1062 R HN 0.505 nan 8.270 nan 0.000 0.437 1063 S N 0.683 116.325 115.700 -0.097 0.000 2.469 1063 S HA -0.051 4.419 4.470 0.000 0.000 0.238 1063 S C 1.853 176.375 174.600 -0.131 0.000 0.998 1063 S CA 0.785 58.932 58.200 -0.088 0.000 0.957 1063 S CB -0.320 62.849 63.200 -0.052 0.000 0.764 1063 S HN 0.289 nan 8.310 nan 0.000 0.514 1064 L N 0.147 121.247 121.223 -0.205 0.000 2.592 1064 L HA 0.276 4.616 4.340 0.000 0.000 0.227 1064 L C 1.042 177.835 176.870 -0.129 0.000 1.127 1064 L CA -0.197 54.526 54.840 -0.194 0.000 0.884 1064 L CB -0.198 41.691 42.059 -0.284 0.000 1.065 1064 L HN 0.111 nan 8.230 nan 0.000 0.457 1065 R N 0.878 121.315 120.500 -0.105 0.000 2.489 1065 R HA 0.058 4.398 4.340 0.000 0.000 0.287 1065 R C -1.290 174.973 176.300 -0.062 0.000 1.053 1065 R CA -1.313 54.738 56.100 -0.080 0.000 1.036 1065 R CB 0.493 30.753 30.300 -0.065 0.000 0.966 1065 R HN -0.140 nan 8.270 nan 0.000 0.432 1066 P HA -0.205 nan 4.420 nan 0.000 0.216 1066 P C 1.218 178.498 177.300 -0.034 0.000 1.150 1066 P CA 1.709 64.783 63.100 -0.044 0.000 0.837 1066 P CB 0.274 31.948 31.700 -0.044 0.000 0.786 1067 E N -0.226 119.954 120.200 -0.034 0.000 2.007 1067 E HA -0.016 4.334 4.350 0.000 0.000 0.194 1067 E C 1.545 178.133 176.600 -0.021 0.000 0.999 1067 E CA 1.908 58.294 56.400 -0.025 0.000 0.811 1067 E CB -1.518 nan 29.700 nan 0.000 0.762 1067 E HN 0.244 nan 8.360 nan 0.000 0.450 1078 S N -0.560 115.098 115.700 -0.069 0.000 2.589 1078 S HA 0.421 4.891 4.470 0.000 0.000 0.265 1078 S C 1.970 176.536 174.600 -0.057 0.000 1.342 1078 S CA -0.003 58.161 58.200 -0.060 0.000 1.005 1078 S CB 0.233 63.401 63.200 -0.054 0.000 0.909 1078 S HN 0.810 nan 8.310 nan 0.000 0.555 1079 L N 1.159 122.350 121.223 -0.053 0.000 2.042 1079 L HA -0.040 4.300 4.340 0.000 0.000 0.210 1079 L C 2.969 179.809 176.870 -0.050 0.000 1.076 1079 L CA 2.720 57.528 54.840 -0.052 0.000 0.749 1079 L CB -2.435 39.596 42.059 -0.047 0.000 0.893 1079 L HN 0.949 nan 8.230 nan 0.000 0.432 1080 S N -0.826 114.847 115.700 -0.045 0.000 2.368 1080 S HA -0.110 4.360 4.470 0.000 0.000 0.225 1080 S C 2.629 177.203 174.600 -0.043 0.000 1.030 1080 S CA 1.854 60.028 58.200 -0.043 0.000 0.999 1080 S CB -0.430 62.748 63.200 -0.036 0.000 0.844 1080 S HN 0.934 nan 8.310 nan 0.000 0.459 1081 K N 1.267 121.640 120.400 -0.045 0.000 2.097 1081 K HA 0.097 4.417 4.320 0.000 0.000 0.205 1081 K C 1.918 178.501 176.600 -0.028 0.000 1.050 1081 K CA 1.589 57.852 56.287 -0.040 0.000 0.938 1081 K CB -0.895 31.569 32.500 -0.060 0.000 0.718 1081 K HN 0.424 nan 8.250 nan 0.000 0.442 1082 M N 0.058 119.635 119.600 -0.038 0.000 2.132 1082 M HA -0.022 4.458 4.480 0.000 0.000 0.263 1082 M C 2.108 178.383 176.300 -0.042 0.000 1.065 1082 M CA 1.204 56.481 55.300 -0.039 0.000 1.122 1082 M CB -0.285 32.280 32.600 -0.059 0.000 1.365 1082 M HN 0.199 nan 8.290 nan 0.000 0.411 1083 I N 0.061 120.601 120.570 -0.051 0.000 2.394 1083 I HA -0.227 3.943 4.170 0.000 0.000 0.251 1083 I C 2.386 178.459 176.117 -0.074 0.000 1.136 1083 I CA 1.395 62.659 61.300 -0.059 0.000 1.425 1083 I CB -1.302 36.659 38.000 -0.066 0.000 1.079 1083 I HN 0.351 nan 8.210 nan 0.000 0.425 1084 Q N 1.126 120.887 119.800 -0.065 0.000 2.079 1084 Q HA -0.128 4.212 4.340 0.000 0.000 0.200 1084 Q C 2.270 178.243 176.000 -0.045 0.000 0.974 1084 Q CA 1.670 57.428 55.803 -0.075 0.000 0.840 1084 Q CB -0.159 28.563 28.738 -0.026 0.000 0.898 1084 Q HN 0.407 nan 8.270 nan 0.000 0.430 1085 M N -0.735 118.863 119.600 -0.004 0.000 2.117 1085 M HA -0.115 4.365 4.480 0.000 0.000 0.262 1085 M C 2.166 178.490 176.300 0.040 0.000 1.065 1085 M CA 1.449 56.766 55.300 0.028 0.000 1.114 1085 M CB -0.437 32.190 32.600 0.045 0.000 1.361 1085 M HN 0.352 nan 8.290 nan 0.000 0.408 1086 A N 0.597 123.437 122.820 0.034 0.000 1.902 1086 A HA -0.072 4.248 4.320 0.000 0.000 0.217 1086 A C 2.341 180.039 177.584 0.190 0.000 1.181 1086 A CA 1.987 54.108 52.037 0.141 0.000 0.623 1086 A CB -1.480 17.572 19.000 0.086 0.000 0.818 1086 A HN 0.553 nan 8.150 nan 0.000 0.443 1087 G N -0.517 108.272 108.800 -0.018 0.000 2.408 1087 G HA2 -0.165 3.795 3.960 0.000 0.000 0.217 1087 G HA3 -0.165 3.795 3.960 0.000 0.000 0.217 1087 G C 1.419 176.239 174.900 -0.134 0.000 1.150 1087 G CA 0.936 45.936 45.100 -0.167 0.000 0.776 1087 G HN 0.668 nan 8.290 nan 0.000 0.542 1088 E N 0.121 120.233 120.200 -0.146 0.000 2.072 1088 E HA -0.041 4.309 4.350 0.000 0.000 0.191 1088 E C 2.488 178.982 176.600 -0.176 0.000 0.985 1088 E CA 0.600 56.803 56.400 -0.329 0.000 0.801 1088 E CB -0.140 29.470 29.700 -0.150 0.000 0.750 1088 E HN 0.462 nan 8.360 nan 0.000 0.452 1089 I N 1.352 121.928 120.570 0.010 0.000 2.226 1089 I HA -0.258 3.912 4.170 0.000 0.000 0.245 1089 I C 2.570 178.657 176.117 -0.050 0.000 1.100 1089 I CA 0.994 62.335 61.300 0.069 0.000 1.374 1089 I CB -0.310 37.840 38.000 0.251 0.000 1.057 1089 I HN 0.078 nan 8.210 nan 0.000 0.413 1090 A N 0.174 122.963 122.820 -0.050 0.000 1.972 1090 A HA -0.279 4.041 4.320 0.000 0.000 0.219 1090 A C 1.961 179.438 177.584 -0.179 0.000 1.169 1090 A CA 2.227 54.068 52.037 -0.326 0.000 0.635 1090 A CB -0.647 18.209 19.000 -0.241 0.000 0.810 1090 A HN 0.444 nan 8.150 nan 0.000 0.446 1091 D N -0.742 119.662 120.400 0.006 0.000 2.117 1091 D HA -0.019 4.621 4.640 0.000 0.000 0.198 1091 D C 2.015 178.391 176.300 0.127 0.000 0.982 1091 D CA 1.571 55.687 54.000 0.194 0.000 0.828 1091 D CB -0.380 40.609 40.800 0.315 0.000 0.967 1091 D HN 0.289 nan 8.370 nan 0.000 0.464 1092 G N 0.042 108.865 108.800 0.037 0.000 2.418 1092 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 1092 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 1092 G C 1.517 176.339 174.900 -0.130 0.000 1.158 1092 G CA 0.697 45.807 45.100 0.016 0.000 0.771 1092 G HN 0.170 nan 8.290 nan 0.000 0.545 1093 M N 1.135 120.519 119.600 -0.360 0.000 2.175 1093 M HA 0.112 4.592 4.480 0.000 0.000 0.264 1093 M C 3.017 179.030 176.300 -0.478 0.000 1.063 1093 M CA 1.127 56.039 55.300 -0.646 0.000 1.119 1093 M CB -1.247 30.384 32.600 -1.614 0.000 1.377 1093 M HN 0.313 nan 8.290 nan 0.000 0.415 1094 A N -0.616 122.024 122.820 -0.300 0.000 1.908 1094 A HA -0.236 4.084 4.320 0.000 0.000 0.218 1094 A C 2.161 179.622 177.584 -0.205 0.000 1.181 1094 A CA 1.615 53.676 52.037 0.041 0.000 0.627 1094 A CB -1.201 18.007 19.000 0.346 0.000 0.818 1094 A HN 0.514 nan 8.150 nan 0.000 0.445 1095 Y N -0.021 119.910 120.300 -0.615 0.000 2.097 1095 Y HA -0.191 4.359 4.550 0.000 0.000 0.282 1095 Y C 1.965 177.525 175.900 -0.567 0.000 1.152 1095 Y CA 1.850 59.274 58.100 -1.126 0.000 1.136 1095 Y CB -0.439 37.554 38.460 -0.778 0.000 0.975 1095 Y HN 0.198 nan 8.280 nan 0.000 0.498 1096 L N 1.083 122.070 121.223 -0.395 0.000 1.989 1096 L HA -0.289 4.051 4.340 0.000 0.000 0.211 1096 L C 2.099 178.881 176.870 -0.148 0.000 1.071 1096 L CA 2.286 56.922 54.840 -0.340 0.000 0.749 1096 L CB -1.382 40.557 42.059 -0.200 0.000 0.890 1096 L HN 0.355 nan 8.230 nan 0.000 0.431 1097 N N -1.158 117.495 118.700 -0.079 0.000 2.166 1097 N HA -0.179 4.561 4.740 0.000 0.000 0.186 1097 N C 1.747 177.237 175.510 -0.033 0.000 1.019 1097 N CA 0.921 53.982 53.050 0.019 0.000 0.856 1097 N CB -0.142 38.427 38.487 0.137 0.000 0.993 1097 N HN 0.400 nan 8.380 nan 0.000 0.426 1098 A N 1.219 123.971 122.820 -0.113 0.000 1.972 1098 A HA -0.084 4.236 4.320 0.000 0.000 0.219 1098 A C 1.461 178.977 177.584 -0.113 0.000 1.169 1098 A CA 1.346 53.341 52.037 -0.070 0.000 0.635 1098 A CB -0.288 18.692 19.000 -0.035 0.000 0.810 1098 A HN 0.277 nan 8.150 nan 0.000 0.446 1099 N N -0.190 118.391 118.700 -0.197 0.000 2.313 1099 N HA 0.090 4.830 4.740 0.000 0.000 0.207 1099 N C -0.428 175.042 175.510 -0.068 0.000 1.141 1099 N CA 0.015 53.015 53.050 -0.083 0.000 0.830 1099 N CB 0.295 38.748 38.487 -0.056 0.000 1.008 1099 N HN 0.103 nan 8.380 nan 0.000 0.481 1100 K N -0.187 120.149 120.400 -0.107 0.000 3.161 1100 K HA -0.170 4.150 4.320 0.000 0.000 0.270 1100 K C -1.261 175.116 176.600 -0.373 0.000 1.115 1100 K CA 0.675 56.835 56.287 -0.211 0.000 0.789 1100 K CB -2.098 30.245 32.500 -0.260 0.000 1.256 1100 K HN 0.210 nan 8.250 nan 0.000 0.492 1101 F N -0.874 119.056 119.950 -0.034 0.000 2.540 1101 F HA 0.441 4.968 4.527 -0.000 0.000 0.317 1101 F C 0.350 176.169 175.800 0.032 0.000 1.104 1101 F CA -1.034 56.971 58.000 0.008 0.000 0.913 1101 F CB 1.902 40.923 39.000 0.035 0.000 1.170 1101 F HN -0.159 nan 8.300 nan 0.000 0.450 1102 V N 4.434 124.491 119.914 0.240 0.000 2.398 1102 V HA 0.241 4.361 4.120 0.000 0.000 0.286 1102 V C 0.692 176.938 176.094 0.253 0.000 1.026 1102 V CA -0.136 62.298 62.300 0.222 0.000 0.868 1102 V CB 0.997 32.926 31.823 0.176 0.000 0.982 1102 V HN 0.935 nan 8.190 nan 0.000 0.443 1103 H N 6.171 125.358 119.070 0.195 0.000 2.326 1103 H HA -0.014 4.543 4.556 0.000 0.000 0.301 1103 H C 1.641 177.047 175.328 0.130 0.000 1.081 1103 H CA 2.242 58.396 56.048 0.177 0.000 1.334 1103 H CB 0.353 30.205 29.762 0.150 0.000 1.385 1103 H HN 0.863 nan 8.280 nan 0.000 0.504 1104 R N -0.909 119.806 120.500 0.358 0.000 3.862 1104 R HA -0.188 4.152 4.340 0.000 0.000 0.470 1104 R C -0.280 176.200 176.300 0.300 0.000 0.879 1104 R CA 1.355 57.608 56.100 0.256 0.000 1.508 1104 R CB -1.431 28.757 30.300 -0.185 0.000 2.170 1104 R HN 0.334 nan 8.270 nan 0.000 0.496 1105 D N 0.227 120.901 120.400 0.458 0.000 2.940 1105 D HA 0.142 4.782 4.640 0.000 0.000 0.366 1105 D C -1.043 175.390 176.300 0.222 0.000 1.446 1105 D CA -0.438 53.734 54.000 0.287 0.000 0.780 1105 D CB 0.363 41.237 40.800 0.123 0.000 1.206 1105 D HN 0.037 nan 8.370 nan 0.000 0.454 1106 L N 1.631 122.952 121.223 0.163 0.000 2.410 1106 L HA 0.644 4.984 4.340 0.000 0.000 0.273 1106 L C -0.516 176.368 176.870 0.024 0.000 1.144 1106 L CA 0.205 55.005 54.840 -0.067 0.000 0.863 1106 L CB 0.327 42.416 42.059 0.050 0.000 1.140 1106 L HN 0.205 nan 8.230 nan 0.000 0.463 1107 A N 3.914 126.680 122.820 -0.091 0.000 2.597 1107 A HA 0.673 4.993 4.320 0.000 0.000 0.292 1107 A C 0.480 178.041 177.584 -0.039 0.000 1.057 1107 A CA -0.166 51.782 52.037 -0.149 0.000 0.674 1107 A CB 0.244 18.734 19.000 -0.850 0.000 1.278 1107 A HN 1.104 nan 8.150 nan 0.000 0.416 1108 A N 0.820 123.700 122.820 0.100 0.000 1.940 1108 A HA -0.173 4.147 4.320 0.000 0.000 0.219 1108 A C 1.934 179.529 177.584 0.018 0.000 1.176 1108 A CA 2.158 54.248 52.037 0.089 0.000 0.631 1108 A CB -0.664 18.433 19.000 0.160 0.000 0.814 1108 A HN 1.189 nan 8.150 nan 0.000 0.446 1109 R N -0.841 119.635 120.500 -0.040 0.000 2.241 1109 R HA -0.036 4.304 4.340 0.000 0.000 0.224 1109 R C 0.573 176.824 176.300 -0.081 0.000 1.101 1109 R CA 1.571 57.634 56.100 -0.062 0.000 0.995 1109 R CB -0.428 29.802 30.300 -0.116 0.000 0.870 1109 R HN 0.365 nan 8.270 nan 0.000 0.463 1110 N N -0.136 118.499 118.700 -0.107 0.000 2.230 1110 N HA 0.106 4.846 4.740 0.000 0.000 0.202 1110 N C -0.672 174.767 175.510 -0.119 0.000 1.119 1110 N CA -0.033 52.947 53.050 -0.117 0.000 0.851 1110 N CB 0.533 38.950 38.487 -0.116 0.000 0.990 1110 N HN 0.144 nan 8.380 nan 0.000 0.497 1111 C N 1.169 120.427 119.300 -0.070 0.000 2.397 1111 C HA 0.590 5.050 4.460 0.000 0.000 0.343 1111 C C 0.235 175.212 174.990 -0.022 0.000 1.188 1111 C CA -0.756 58.234 59.018 -0.046 0.000 1.992 1111 C CB 1.127 28.863 27.740 -0.007 0.000 2.358 1111 C HN 0.182 nan 8.230 nan 0.000 0.518 1112 M N 1.804 121.392 119.600 -0.020 0.000 2.662 1112 M HA 0.582 5.062 4.480 0.000 0.000 0.310 1112 M C -0.868 175.413 176.300 -0.033 0.000 1.204 1112 M CA -0.617 54.671 55.300 -0.020 0.000 0.891 1112 M CB 1.666 34.252 32.600 -0.024 0.000 1.732 1112 M HN 0.319 nan 8.290 nan 0.000 0.467 1113 V N 1.237 121.110 119.914 -0.069 0.000 2.444 1113 V HA 0.705 4.825 4.120 0.000 0.000 0.294 1113 V C 0.262 176.262 176.094 -0.157 0.000 1.022 1113 V CA -0.999 61.220 62.300 -0.135 0.000 0.850 1113 V CB 1.284 32.937 31.823 -0.283 0.000 0.992 1113 V HN 1.015 nan 8.190 nan 0.000 0.426 1114 A N 2.829 125.563 122.820 -0.143 0.000 2.259 1114 A HA 0.514 4.834 4.320 0.000 0.000 0.278 1114 A C 1.316 178.748 177.584 -0.254 0.000 1.107 1114 A CA 0.121 52.068 52.037 -0.150 0.000 0.828 1114 A CB 0.301 19.240 19.000 -0.102 0.000 1.111 1114 A HN 0.939 nan 8.150 nan 0.000 0.498 1115 E N 0.404 120.473 120.200 -0.219 0.000 2.070 1115 E HA -0.242 4.108 4.350 0.000 0.000 0.197 1115 E C 1.008 177.351 176.600 -0.428 0.000 1.004 1115 E CA 2.242 58.467 56.400 -0.293 0.000 0.805 1115 E CB -0.222 29.380 29.700 -0.164 0.000 0.744 1115 E HN 0.736 nan 8.360 nan 0.000 0.451 1116 D N -1.163 119.102 120.400 -0.226 0.000 2.332 1116 D HA -0.111 4.529 4.640 0.000 0.000 0.244 1116 D C -0.071 176.245 176.300 0.026 0.000 1.136 1116 D CA 0.001 53.941 54.000 -0.099 0.000 0.884 1116 D CB -0.634 40.186 40.800 0.032 0.000 0.906 1116 D HN 0.318 nan 8.370 nan 0.000 0.520 1117 F N -1.442 118.470 119.950 -0.063 0.000 2.794 1117 F HA -0.249 4.278 4.527 0.000 0.000 0.335 1117 F C 0.507 176.268 175.800 -0.066 0.000 0.653 1117 F CA 0.752 58.682 58.000 -0.116 0.000 1.266 1117 F CB -2.620 36.337 39.000 -0.072 0.000 1.666 1117 F HN -0.087 nan 8.300 nan 0.000 0.314 1118 T N 1.796 116.410 114.554 0.100 0.000 2.916 1118 T HA 0.445 4.795 4.350 0.000 0.000 0.303 1118 T C 0.516 175.258 174.700 0.071 0.000 1.025 1118 T CA -0.165 62.011 62.100 0.127 0.000 1.142 1118 T CB 1.282 70.220 68.868 0.117 0.000 0.947 1118 T HN 0.033 nan 8.240 nan 0.000 0.544 1119 V N 4.889 124.869 119.914 0.110 0.000 2.481 1119 V HA 0.501 4.621 4.120 0.000 0.000 0.286 1119 V C 0.178 176.332 176.094 0.100 0.000 1.042 1119 V CA -0.555 61.788 62.300 0.071 0.000 0.928 1119 V CB 1.398 33.263 31.823 0.069 0.000 0.986 1119 V HN 0.773 nan 8.190 nan 0.000 0.462 1120 K N 3.812 124.242 120.400 0.051 0.000 2.508 1120 K HA 0.569 4.889 4.320 0.000 0.000 0.260 1120 K C -1.444 175.169 176.600 0.021 0.000 0.949 1120 K CA -0.989 55.332 56.287 0.056 0.000 0.834 1120 K CB 2.443 34.953 32.500 0.017 0.000 1.365 1120 K HN 0.329 nan 8.250 nan 0.000 0.437 1121 I N 1.939 122.526 120.570 0.029 0.000 2.533 1121 I HA 0.067 4.237 4.170 0.000 0.000 0.284 1121 I C 1.189 177.275 176.117 -0.051 0.000 1.109 1121 I CA 0.573 61.852 61.300 -0.036 0.000 1.412 1121 I CB 0.220 38.235 38.000 0.025 0.000 1.396 1121 I HN 1.027 nan 8.210 nan 0.000 0.543 1122 G N 4.672 113.338 108.800 -0.223 0.000 3.342 1122 G HA2 0.075 4.035 3.960 0.000 0.000 0.252 1122 G HA3 0.075 4.035 3.960 0.000 0.000 0.252 1122 G C -0.061 174.588 174.900 -0.417 0.000 1.011 1122 G CA -0.060 44.907 45.100 -0.222 0.000 0.869 1122 G HN 0.571 nan 8.290 nan 0.000 0.514 1123 D N -0.686 119.322 120.400 -0.652 0.000 2.649 1123 D HA 0.577 5.217 4.640 0.000 0.000 0.249 1123 D C -0.680 175.141 176.300 -0.798 0.000 1.112 1123 D CA -0.735 52.974 54.000 -0.484 0.000 0.850 1123 D CB 1.375 42.054 40.800 -0.201 0.000 1.399 1123 D HN -0.055 nan 8.370 nan 0.000 0.503 1124 F N 1.986 121.910 119.950 -0.044 0.000 2.835 1124 F HA 0.327 4.854 4.527 -0.000 0.000 0.342 1124 F C 1.818 177.522 175.800 -0.160 0.000 1.202 1124 F CA -0.728 57.163 58.000 -0.182 0.000 1.240 1124 F CB 0.980 39.936 39.000 -0.074 0.000 1.005 1124 F HN 0.553 nan 8.300 nan 0.000 0.507 1125 G N 0.379 109.163 108.800 -0.027 0.000 2.450 1125 G HA2 -0.220 3.740 3.960 0.000 0.000 0.220 1125 G HA3 -0.220 3.740 3.960 0.000 0.000 0.220 1125 G C 1.337 176.224 174.900 -0.022 0.000 1.130 1125 G CA 0.822 45.931 45.100 0.015 0.000 0.760 1125 G HN 0.363 nan 8.290 nan 0.000 0.557 1126 M N 0.646 120.192 119.600 -0.091 0.000 2.313 1126 M HA 0.146 4.626 4.480 0.000 0.000 0.273 1126 M C 0.156 176.387 176.300 -0.115 0.000 1.049 1126 M CA -0.085 55.149 55.300 -0.109 0.000 1.004 1126 M CB 0.885 33.405 32.600 -0.133 0.000 1.461 1126 M HN -0.133 nan 8.290 nan 0.000 0.514 1127 T N 2.918 117.416 114.554 -0.094 0.000 2.928 1127 T HA 0.173 4.523 4.350 0.000 0.000 0.305 1127 T C 0.296 175.052 174.700 0.093 0.000 1.035 1127 T CA 0.304 62.407 62.100 0.006 0.000 1.145 1127 T CB 0.400 69.322 68.868 0.091 0.000 0.963 1127 T HN 0.194 nan 8.240 nan 0.000 0.545 1128 R N 2.113 122.705 120.500 0.153 0.000 2.686 1128 R HA 0.319 4.659 4.340 0.000 0.000 0.283 1128 R C -0.917 175.478 176.300 0.158 0.000 0.978 1128 R CA -0.984 55.197 56.100 0.135 0.000 0.897 1128 R CB 1.730 32.046 30.300 0.027 0.000 1.192 1128 R HN 0.667 nan 8.270 nan 0.000 0.457 1129 D N 2.710 123.131 120.400 0.035 0.000 2.351 1129 D HA 0.277 4.917 4.640 0.000 0.000 0.251 1129 D C 0.273 176.447 176.300 -0.210 0.000 1.137 1129 D CA -0.173 53.634 54.000 -0.321 0.000 0.879 1129 D CB 0.540 41.147 40.800 -0.322 0.000 1.181 1129 D HN 0.468 nan 8.370 nan 0.000 0.448 1133 T N -1.560 112.971 114.554 -0.038 0.000 3.023 1133 T HA 0.385 4.735 4.350 0.000 0.000 0.253 1133 T C 0.427 175.113 174.700 -0.023 0.000 1.038 1133 T CA 0.902 62.989 62.100 -0.022 0.000 0.962 1133 T CB 0.303 69.165 68.868 -0.011 0.000 1.018 1133 T HN 0.444 nan 8.240 nan 0.000 0.521 1138 K N 2.179 122.693 120.400 0.189 0.000 2.297 1138 K HA 0.463 4.783 4.320 0.000 0.000 0.286 1138 K C -0.542 176.112 176.600 0.091 0.000 1.053 1138 K CA 0.089 56.455 56.287 0.131 0.000 0.940 1138 K CB 1.527 34.147 32.500 0.201 0.000 1.019 1138 K HN 0.628 nan 8.250 nan 0.000 0.475 1139 G N 2.004 110.838 108.800 0.057 0.000 2.416 1139 G HA2 0.604 4.564 3.960 0.000 0.000 0.329 1139 G HA3 0.604 4.564 3.960 0.000 0.000 0.329 1139 G C -0.005 174.917 174.900 0.036 0.000 1.173 1139 G CA -0.194 44.931 45.100 0.043 0.000 0.929 1139 G HN 0.918 nan 8.290 nan 0.000 0.475 1140 G N 0.999 109.818 108.800 0.032 0.000 2.525 1140 G HA2 -0.211 3.749 3.960 0.000 0.000 0.248 1140 G HA3 -0.211 3.749 3.960 0.000 0.000 0.248 1140 G C 0.045 174.964 174.900 0.031 0.000 1.238 1140 G CA 0.099 45.215 45.100 0.027 0.000 0.926 1140 G HN 0.834 nan 8.290 nan 0.000 0.574 1141 K N 0.255 120.671 120.400 0.027 0.000 2.095 1141 K HA 0.670 4.990 4.320 0.000 0.000 0.252 1141 K C 0.293 176.912 176.600 0.032 0.000 0.977 1141 K CA 0.004 56.308 56.287 0.029 0.000 0.900 1141 K CB 1.621 34.134 32.500 0.022 0.000 1.060 1141 K HN 1.519 nan 8.250 nan 0.000 0.449 1142 G N 0.659 109.481 108.800 0.036 0.000 2.556 1142 G HA2 0.282 4.242 3.960 0.000 0.000 0.294 1142 G HA3 0.282 4.242 3.960 0.000 0.000 0.294 1142 G C -1.629 173.296 174.900 0.041 0.000 1.516 1142 G CA -0.975 44.147 45.100 0.035 0.000 0.824 1142 G HN 0.365 nan 8.290 nan 0.000 0.535 1143 L N 1.611 122.855 121.223 0.034 0.000 2.268 1143 L HA 0.497 4.837 4.340 0.000 0.000 0.289 1143 L C -0.138 176.764 176.870 0.052 0.000 1.064 1143 L CA -0.361 54.502 54.840 0.038 0.000 0.824 1143 L CB 0.510 42.582 42.059 0.021 0.000 1.202 1143 L HN 0.221 nan 8.230 nan 0.000 0.433 1144 L N 5.169 126.442 121.223 0.083 0.000 2.333 1144 L HA 0.513 4.853 4.340 0.000 0.000 0.269 1144 L C -1.828 175.136 176.870 0.157 0.000 1.010 1144 L CA -1.750 53.164 54.840 0.124 0.000 0.818 1144 L CB 2.207 44.373 42.059 0.178 0.000 1.306 1144 L HN 0.391 nan 8.230 nan 0.000 0.430 1145 P HA 0.044 nan 4.420 nan 0.000 0.235 1145 P C 1.004 178.540 177.300 0.393 0.000 1.765 1145 P CA -0.099 63.174 63.100 0.288 0.000 1.034 1145 P CB 0.424 32.254 31.700 0.217 0.000 1.984 1146 V N 2.854 122.934 119.914 0.276 0.000 2.313 1146 V HA -0.281 3.839 4.120 0.000 0.000 0.253 1146 V C 2.466 178.666 176.094 0.177 0.000 1.070 1146 V CA 1.982 64.390 62.300 0.180 0.000 1.057 1146 V CB -0.826 31.053 31.823 0.093 0.000 0.653 1146 V HN 0.423 nan 8.190 nan 0.000 0.450 1147 R N -1.651 119.003 120.500 0.256 0.000 2.339 1147 R HA -0.075 4.265 4.340 0.000 0.000 0.199 1147 R C 1.557 177.853 176.300 -0.006 0.000 1.018 1147 R CA 0.771 56.912 56.100 0.068 0.000 1.036 1147 R CB -0.078 30.145 30.300 -0.127 0.000 0.899 1147 R HN 0.598 nan 8.270 nan 0.000 0.473 1148 W N -0.523 120.933 121.300 0.260 0.000 2.870 1148 W HA 0.294 4.954 4.660 -0.000 0.000 0.358 1148 W C -0.023 176.717 176.519 0.368 0.000 1.043 1148 W CA -0.509 57.035 57.345 0.332 0.000 1.692 1148 W CB 0.372 29.998 29.460 0.276 0.000 1.100 1148 W HN -0.013 nan 8.180 nan 0.000 0.557 1149 M N 1.190 121.005 119.600 0.358 0.000 2.249 1149 M HA 0.095 4.575 4.480 0.000 0.000 0.351 1149 M C 1.162 177.227 176.300 -0.392 0.000 1.180 1149 M CA 0.183 55.535 55.300 0.088 0.000 1.127 1149 M CB 1.367 33.986 32.600 0.032 0.000 1.546 1149 M HN -0.246 nan 8.290 nan 0.000 0.461 1150 S N 2.585 117.869 115.700 -0.693 0.000 2.589 1150 S HA 0.229 4.699 4.470 0.000 0.000 0.265 1150 S C -2.159 171.829 174.600 -1.020 0.000 1.342 1150 S CA -1.027 56.307 58.200 -1.443 0.000 1.005 1150 S CB 0.293 63.023 63.200 -0.782 0.000 0.909 1150 S HN 0.457 nan 8.310 nan 0.000 0.555 1151 P HA -0.157 nan 4.420 nan 0.000 0.215 1151 P C 1.748 178.730 177.300 -0.531 0.000 1.153 1151 P CA 1.443 64.097 63.100 -0.742 0.000 0.853 1151 P CB -0.077 31.054 31.700 -0.948 0.000 0.788 1152 E N -0.458 119.422 120.200 -0.533 0.000 2.150 1152 E HA -0.114 4.236 4.350 0.000 0.000 0.193 1152 E C 1.705 178.102 176.600 -0.337 0.000 0.985 1152 E CA 1.498 57.685 56.400 -0.354 0.000 0.814 1152 E CB -1.210 28.321 29.700 -0.282 0.000 0.752 1152 E HN 0.142 nan 8.360 nan 0.000 0.466 1153 S N 1.241 116.671 115.700 -0.450 0.000 2.368 1153 S HA 0.021 4.491 4.470 0.000 0.000 0.224 1153 S C 2.150 176.526 174.600 -0.373 0.000 1.029 1153 S CA 0.846 58.703 58.200 -0.572 0.000 0.988 1153 S CB -0.249 62.435 63.200 -0.861 0.000 0.838 1153 S HN 0.204 nan 8.310 nan 0.000 0.462 1154 L N 1.101 122.134 121.223 -0.316 0.000 2.131 1154 L HA -0.088 4.252 4.340 0.000 0.000 0.210 1154 L C 2.542 179.323 176.870 -0.149 0.000 1.092 1154 L CA 1.174 55.895 54.840 -0.198 0.000 0.759 1154 L CB -0.330 41.603 42.059 -0.211 0.000 0.903 1154 L HN 0.250 nan 8.230 nan 0.000 0.435 1155 K N 0.445 120.743 120.400 -0.171 0.000 2.031 1155 K HA -0.141 4.179 4.320 0.000 0.000 0.205 1155 K C 0.304 176.854 176.600 -0.084 0.000 1.049 1155 K CA 1.788 58.007 56.287 -0.114 0.000 0.939 1155 K CB 0.213 32.645 32.500 -0.113 0.000 0.717 1155 K HN 0.442 nan 8.250 nan 0.000 0.438 1156 D N -2.441 117.899 120.400 -0.099 0.000 2.692 1156 D HA 0.187 4.827 4.640 0.000 0.000 0.290 1156 D C 0.288 176.564 176.300 -0.039 0.000 1.455 1156 D CA 0.065 54.031 54.000 -0.056 0.000 0.796 1156 D CB 0.821 41.595 40.800 -0.044 0.000 1.131 1156 D HN 0.233 nan 8.370 nan 0.000 0.467 1157 G N 0.485 109.246 108.800 -0.066 0.000 2.258 1157 G HA2 -0.257 3.703 3.960 0.000 0.000 0.274 1157 G HA3 -0.257 3.703 3.960 0.000 0.000 0.274 1157 G C 0.137 175.066 174.900 0.049 0.000 1.021 1157 G CA 0.454 45.567 45.100 0.020 0.000 0.798 1157 G HN 0.600 nan 8.290 nan 0.000 0.507 1158 V N 0.133 119.968 119.914 -0.133 0.000 2.407 1158 V HA 0.777 4.897 4.120 0.000 0.000 0.278 1158 V C -0.362 175.613 176.094 -0.199 0.000 1.037 1158 V CA -0.988 61.291 62.300 -0.036 0.000 0.900 1158 V CB 0.646 32.448 31.823 -0.035 0.000 0.983 1158 V HN 0.225 nan 8.190 nan 0.000 0.459 1159 F N 4.793 124.760 119.950 0.028 0.000 2.482 1159 F HA 0.743 5.270 4.527 -0.000 0.000 0.331 1159 F C 0.570 176.390 175.800 0.033 0.000 1.115 1159 F CA -0.315 57.714 58.000 0.047 0.000 0.955 1159 F CB 2.244 41.284 39.000 0.066 0.000 1.136 1159 F HN 0.656 nan 8.300 nan 0.000 0.452 1160 T N -3.194 111.458 114.554 0.165 0.000 2.804 1160 T HA 0.292 4.642 4.350 0.000 0.000 0.290 1160 T C 0.953 175.662 174.700 0.015 0.000 1.099 1160 T CA -0.058 62.050 62.100 0.012 0.000 1.011 1160 T CB 1.262 70.050 68.868 -0.132 0.000 1.291 1160 T HN 0.579 nan 8.240 nan 0.000 0.523 1161 T N -1.238 113.224 114.554 -0.154 0.000 2.881 1161 T HA -0.146 4.204 4.350 0.000 0.000 0.270 1161 T C 1.423 176.144 174.700 0.036 0.000 1.068 1161 T CA 1.237 63.324 62.100 -0.021 0.000 1.131 1161 T CB -0.939 67.876 68.868 -0.087 0.000 0.871 1161 T HN 0.622 nan 8.240 nan 0.000 0.479 1162 Y N 2.927 123.284 120.300 0.094 0.000 2.200 1162 Y HA -0.007 4.543 4.550 -0.000 0.000 0.290 1162 Y C 3.175 179.156 175.900 0.136 0.000 1.137 1162 Y CA 0.499 58.639 58.100 0.068 0.000 1.163 1162 Y CB -1.133 37.355 38.460 0.045 0.000 0.988 1162 Y HN 0.456 nan 8.280 nan 0.000 0.518 1163 S N -0.829 115.042 115.700 0.285 0.000 2.453 1163 S HA -0.124 4.346 4.470 0.000 0.000 0.231 1163 S C 1.451 176.288 174.600 0.394 0.000 1.005 1163 S CA 1.127 59.488 58.200 0.269 0.000 0.949 1163 S CB -0.297 62.957 63.200 0.090 0.000 0.774 1163 S HN 0.297 nan 8.310 nan 0.000 0.510 1164 D N 1.634 122.265 120.400 0.385 0.000 2.144 1164 D HA 0.017 4.657 4.640 0.000 0.000 0.200 1164 D C 1.978 178.595 176.300 0.529 0.000 0.978 1164 D CA 0.644 54.937 54.000 0.488 0.000 0.833 1164 D CB -0.338 40.782 40.800 0.533 0.000 0.961 1164 D HN 0.301 nan 8.370 nan 0.000 0.470 1165 V N 0.770 120.837 119.914 0.255 0.000 2.515 1165 V HA -0.170 3.950 4.120 0.000 0.000 0.250 1165 V C 2.110 178.389 176.094 0.308 0.000 1.058 1165 V CA 1.026 63.321 62.300 -0.009 0.000 1.064 1165 V CB -0.369 31.292 31.823 -0.269 0.000 0.675 1165 V HN 0.409 nan 8.190 nan 0.000 0.461 1166 W N 1.112 122.558 121.300 0.243 0.000 2.355 1166 W HA -0.204 4.457 4.660 0.001 0.000 0.309 1166 W C 2.459 179.245 176.519 0.444 0.000 1.206 1166 W CA 2.081 59.631 57.345 0.342 0.000 1.284 1166 W CB -0.541 29.074 29.460 0.260 0.000 1.145 1166 W HN 0.323 nan 8.180 nan 0.000 0.502 1167 S N 0.828 116.959 115.700 0.718 0.000 2.382 1167 S HA -0.238 4.232 4.470 0.000 0.000 0.228 1167 S C 1.534 176.452 174.600 0.530 0.000 1.027 1167 S CA 1.605 60.200 58.200 0.658 0.000 0.991 1167 S CB -1.059 62.510 63.200 0.615 0.000 0.823 1167 S HN 0.349 nan 8.310 nan 0.000 0.469 1168 F N 2.714 122.880 119.950 0.359 0.000 2.161 1168 F HA -0.045 4.482 4.527 -0.000 0.000 0.300 1168 F C 2.219 178.106 175.800 0.145 0.000 1.089 1168 F CA 1.222 59.395 58.000 0.289 0.000 1.282 1168 F CB -0.960 38.294 39.000 0.422 0.000 1.010 1168 F HN 0.206 nan 8.300 nan 0.000 0.485 1169 G N -0.018 108.801 108.800 0.032 0.000 2.418 1169 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 1169 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 1169 G C 1.719 176.598 174.900 -0.035 0.000 1.158 1169 G CA 1.229 46.095 45.100 -0.389 0.000 0.771 1169 G HN 0.352 nan 8.290 nan 0.000 0.545 1170 V N 0.522 120.632 119.914 0.326 0.000 2.427 1170 V HA -0.148 3.972 4.120 0.000 0.000 0.248 1170 V C 3.001 179.282 176.094 0.311 0.000 1.051 1170 V CA 1.327 63.837 62.300 0.351 0.000 1.048 1170 V CB -0.294 31.637 31.823 0.179 0.000 0.666 1170 V HN 0.247 nan 8.190 nan 0.000 0.456 1171 V N -0.117 119.938 119.914 0.235 0.000 2.407 1171 V HA -0.247 3.873 4.120 0.000 0.000 0.248 1171 V C 2.323 178.416 176.094 -0.003 0.000 1.055 1171 V CA 1.806 64.203 62.300 0.162 0.000 1.049 1171 V CB -0.533 31.342 31.823 0.088 0.000 0.662 1171 V HN 0.447 nan 8.190 nan 0.000 0.455 1172 L N -1.598 119.499 121.223 -0.210 0.000 2.046 1172 L HA -0.226 4.114 4.340 0.000 0.000 0.208 1172 L C 2.327 179.169 176.870 -0.048 0.000 1.077 1172 L CA 2.256 56.948 54.840 -0.246 0.000 0.747 1172 L CB -0.569 41.237 42.059 -0.421 0.000 0.896 1172 L HN 0.521 nan 8.230 nan 0.000 0.432 1173 W N 1.449 122.685 121.300 -0.107 0.000 2.358 1173 W HA -0.202 4.458 4.660 0.001 0.000 0.303 1173 W C 2.453 178.959 176.519 -0.022 0.000 1.208 1173 W CA 1.680 59.014 57.345 -0.019 0.000 1.274 1173 W CB -0.023 29.505 29.460 0.112 0.000 1.138 1173 W HN 0.094 nan 8.180 nan 0.000 0.515 1174 E N -0.002 120.357 120.200 0.266 0.000 2.110 1174 E HA -0.256 4.094 4.350 0.000 0.000 0.193 1174 E C 2.118 178.686 176.600 -0.053 0.000 0.988 1174 E CA 1.811 58.289 56.400 0.130 0.000 0.804 1174 E CB -0.466 29.406 29.700 0.287 0.000 0.745 1174 E HN 0.384 nan 8.360 nan 0.000 0.458 1175 I N 0.957 121.502 120.570 -0.041 0.000 2.179 1175 I HA -0.248 3.922 4.170 0.000 0.000 0.242 1175 I C 2.507 178.537 176.117 -0.146 0.000 1.088 1175 I CA 0.998 62.256 61.300 -0.070 0.000 1.357 1175 I CB -0.309 37.656 38.000 -0.058 0.000 1.051 1175 I HN 0.070 nan 8.210 nan 0.000 0.409 1176 A N 0.313 123.012 122.820 -0.202 0.000 2.067 1176 A HA -0.157 4.163 4.320 0.000 0.000 0.219 1176 A C 2.122 179.507 177.584 -0.332 0.000 1.158 1176 A CA 1.995 53.886 52.037 -0.242 0.000 0.661 1176 A CB -0.857 18.001 19.000 -0.237 0.000 0.801 1176 A HN 0.552 nan 8.150 nan 0.000 0.452 1177 T N -3.698 110.574 114.554 -0.470 0.000 3.092 1177 T HA 0.453 4.803 4.350 0.000 0.000 0.258 1177 T C 0.444 174.954 174.700 -0.316 0.000 1.031 1177 T CA 0.133 61.926 62.100 -0.513 0.000 0.925 1177 T CB -0.507 67.780 68.868 -0.969 0.000 1.036 1177 T HN 0.577 nan 8.240 nan 0.000 0.544 1178 L N 0.544 121.631 121.223 -0.227 0.000 3.601 1178 L HA -0.219 4.121 4.340 0.000 0.000 0.469 1178 L C 0.836 177.642 176.870 -0.106 0.000 1.294 1178 L CA 0.072 54.822 54.840 -0.150 0.000 0.829 1178 L CB -2.460 39.513 42.059 -0.142 0.000 1.628 1178 L HN 0.760 nan 8.230 nan 0.000 0.868 1179 A N -0.565 122.209 122.820 -0.077 0.000 2.800 1179 A HA -0.182 4.138 4.320 0.000 0.000 0.292 1179 A C 0.585 178.194 177.584 0.041 0.000 1.474 1179 A CA 1.485 53.538 52.037 0.026 0.000 0.744 1179 A CB -0.923 18.112 19.000 0.059 0.000 1.044 1179 A HN 0.699 nan 8.150 nan 0.000 0.489 1180 E N -0.206 119.972 120.200 -0.037 0.000 2.374 1180 E HA 0.471 4.821 4.350 0.000 0.000 0.260 1180 E C 0.432 177.192 176.600 0.266 0.000 1.101 1180 E CA -0.123 56.303 56.400 0.043 0.000 0.907 1180 E CB 0.420 30.067 29.700 -0.087 0.000 1.014 1180 E HN 0.581 nan 8.360 nan 0.000 0.427 1181 Q N 3.041 122.982 119.800 0.236 0.000 2.296 1181 Q HA 0.260 4.600 4.340 0.000 0.000 0.262 1181 Q C -2.356 173.736 176.000 0.153 0.000 0.981 1181 Q CA -1.718 54.214 55.803 0.215 0.000 0.905 1181 Q CB 0.999 29.826 28.738 0.148 0.000 1.186 1181 Q HN 0.217 nan 8.270 nan 0.000 0.399 1182 P HA -0.036 nan 4.420 nan 0.000 0.267 1182 P C -1.220 175.827 177.300 -0.422 0.000 1.205 1182 P CA 0.328 63.025 63.100 -0.672 0.000 0.765 1182 P CB 0.148 31.289 31.700 -0.931 0.000 0.828 1183 Y N -0.496 119.545 120.300 -0.431 0.000 3.389 1183 Y HA -0.257 4.294 4.550 0.000 0.000 0.213 1183 Y C 0.864 176.663 175.900 -0.167 0.000 1.272 1183 Y CA 0.396 58.321 58.100 -0.291 0.000 1.444 1183 Y CB -2.688 35.614 38.460 -0.263 0.000 1.445 1183 Y HN 0.442 nan 8.280 nan 0.000 0.583 1184 Q N 0.891 120.685 119.800 -0.011 0.000 2.274 1184 Q HA 0.355 4.695 4.340 0.000 0.000 0.280 1184 Q C 1.420 177.421 176.000 0.002 0.000 1.047 1184 Q CA 1.335 57.155 55.803 0.028 0.000 0.907 1184 Q CB 0.440 29.216 28.738 0.064 0.000 1.171 1184 Q HN 0.795 nan 8.270 nan 0.000 0.381 1185 G N 3.186 111.987 108.800 0.002 0.000 2.232 1185 G HA2 -0.223 3.737 3.960 0.000 0.000 0.226 1185 G HA3 -0.223 3.737 3.960 0.000 0.000 0.226 1185 G C -0.168 174.711 174.900 -0.036 0.000 0.996 1185 G CA -0.076 45.014 45.100 -0.017 0.000 0.626 1185 G HN 0.544 nan 8.290 nan 0.000 0.509 1186 L N 2.558 123.756 121.223 -0.042 0.000 2.307 1186 L HA 0.583 4.923 4.340 0.000 0.000 0.282 1186 L C 1.356 178.205 176.870 -0.036 0.000 1.051 1186 L CA -0.235 54.565 54.840 -0.066 0.000 0.804 1186 L CB 1.654 43.643 42.059 -0.117 0.000 1.197 1186 L HN 0.444 nan 8.230 nan 0.000 0.431 1187 S N 1.568 117.246 115.700 -0.036 0.000 2.608 1187 S HA 0.120 4.590 4.470 0.000 0.000 0.261 1187 S C 0.949 175.533 174.600 -0.028 0.000 1.314 1187 S CA -0.720 57.468 58.200 -0.019 0.000 0.992 1187 S CB 0.738 63.928 63.200 -0.017 0.000 0.935 1187 S HN 0.608 nan 8.310 nan 0.000 0.564 1188 N N 1.362 120.055 118.700 -0.010 0.000 2.137 1188 N HA -0.131 4.609 4.740 0.000 0.000 0.190 1188 N C 1.533 177.021 175.510 -0.036 0.000 1.017 1188 N CA 1.289 54.331 53.050 -0.014 0.000 0.859 1188 N CB -0.561 37.933 38.487 0.012 0.000 1.002 1188 N HN 0.641 nan 8.380 nan 0.000 0.428 1189 E N 1.409 121.593 120.200 -0.027 0.000 2.051 1189 E HA -0.144 4.206 4.350 0.000 0.000 0.192 1189 E C 1.941 178.517 176.600 -0.040 0.000 0.991 1189 E CA 0.958 57.340 56.400 -0.029 0.000 0.799 1189 E CB -0.226 29.463 29.700 -0.019 0.000 0.748 1189 E HN 0.530 nan 8.360 nan 0.000 0.449 1190 Q N 0.019 119.791 119.800 -0.046 0.000 2.167 1190 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 1190 Q C 2.322 178.284 176.000 -0.064 0.000 0.970 1190 Q CA 0.974 56.748 55.803 -0.049 0.000 0.855 1190 Q CB 0.048 28.744 28.738 -0.069 0.000 0.911 1190 Q HN 0.088 nan 8.270 nan 0.000 0.438 1191 V N 0.954 120.794 119.914 -0.124 0.000 2.295 1191 V HA -0.248 3.872 4.120 0.000 0.000 0.246 1191 V C 2.174 178.146 176.094 -0.203 0.000 1.049 1191 V CA 1.235 63.382 62.300 -0.254 0.000 1.024 1191 V CB -0.471 31.161 31.823 -0.319 0.000 0.648 1191 V HN 0.408 nan 8.190 nan 0.000 0.447 1192 L N 0.097 121.239 121.223 -0.134 0.000 2.013 1192 L HA -0.203 4.137 4.340 0.000 0.000 0.212 1192 L C 2.714 179.532 176.870 -0.087 0.000 1.073 1192 L CA 2.173 56.946 54.840 -0.111 0.000 0.753 1192 L CB -1.033 40.983 42.059 -0.071 0.000 0.890 1192 L HN 0.374 nan 8.230 nan 0.000 0.432 1193 R N -1.859 118.614 120.500 -0.045 0.000 2.073 1193 R HA -0.185 4.156 4.340 0.000 0.000 0.229 1193 R C 2.162 178.469 176.300 0.012 0.000 1.120 1193 R CA 1.180 57.271 56.100 -0.016 0.000 0.967 1193 R CB -0.570 29.733 30.300 0.004 0.000 0.862 1193 R HN 0.172 nan 8.270 nan 0.000 0.436 1194 F N 1.561 121.428 119.950 -0.139 0.000 2.069 1194 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 1194 F C 2.040 177.768 175.800 -0.120 0.000 1.113 1194 F CA 1.388 59.309 58.000 -0.131 0.000 1.214 1194 F CB -0.369 38.526 39.000 -0.174 0.000 0.978 1194 F HN -0.283 nan 8.300 nan 0.000 0.474 1195 V N 0.325 120.100 119.914 -0.230 0.000 2.379 1195 V HA -0.311 3.809 4.120 0.000 0.000 0.245 1195 V C 2.464 178.466 176.094 -0.154 0.000 1.044 1195 V CA 2.103 64.240 62.300 -0.272 0.000 1.036 1195 V CB -0.604 31.058 31.823 -0.269 0.000 0.664 1195 V HN 0.353 nan 8.190 nan 0.000 0.453 1196 M N -0.659 118.870 119.600 -0.118 0.000 2.374 1196 M HA -0.133 4.347 4.480 0.000 0.000 0.264 1196 M C 1.779 178.106 176.300 0.045 0.000 1.067 1196 M CA 1.434 56.722 55.300 -0.021 0.000 1.103 1196 M CB -0.221 32.345 32.600 -0.056 0.000 1.402 1196 M HN 0.376 nan 8.290 nan 0.000 0.444 1197 E N -0.747 119.412 120.200 -0.069 0.000 2.479 1197 E HA 0.103 4.453 4.350 0.000 0.000 0.193 1197 E C 1.052 177.524 176.600 -0.214 0.000 1.049 1197 E CA 0.329 56.653 56.400 -0.127 0.000 0.870 1197 E CB 0.397 30.035 29.700 -0.103 0.000 0.944 1197 E HN 0.635 nan 8.360 nan 0.000 0.492 1198 G N 0.880 109.576 108.800 -0.173 0.000 2.184 1198 G HA2 -0.195 3.765 3.960 0.000 0.000 0.206 1198 G HA3 -0.195 3.765 3.960 0.000 0.000 0.206 1198 G C 0.486 175.225 174.900 -0.268 0.000 0.995 1198 G CA -0.403 44.589 45.100 -0.180 0.000 0.651 1198 G HN 0.434 nan 8.290 nan 0.000 0.511 1199 G N -0.391 108.034 108.800 -0.624 0.000 2.569 1199 G HA2 0.642 4.602 3.960 0.000 0.000 0.249 1199 G HA3 0.642 4.602 3.960 0.000 0.000 0.249 1199 G C -0.102 174.355 174.900 -0.739 0.000 1.216 1199 G CA -0.167 44.208 45.100 -1.209 0.000 0.845 1199 G HN 0.769 nan 8.290 nan 0.000 0.568 1200 L N -0.216 120.786 121.223 -0.367 0.000 2.376 1200 L HA 0.428 4.768 4.340 0.000 0.000 0.258 1200 L C -0.080 176.763 176.870 -0.045 0.000 1.013 1200 L CA -1.006 53.712 54.840 -0.204 0.000 0.822 1200 L CB 2.030 43.989 42.059 -0.166 0.000 1.388 1200 L HN 0.323 nan 8.230 nan 0.000 0.413 1201 L N 0.842 121.743 121.223 -0.537 0.000 2.473 1201 L HA 0.081 4.421 4.340 0.000 0.000 0.268 1201 L C 0.022 176.806 176.870 -0.143 0.000 1.215 1201 L CA -0.279 54.171 54.840 -0.651 0.000 0.823 1201 L CB 0.268 41.416 42.059 -1.518 0.000 1.099 1201 L HN 0.642 nan 8.230 nan 0.000 0.483 1202 D N 0.918 121.355 120.400 0.061 0.000 2.384 1202 D HA 0.087 4.727 4.640 0.000 0.000 0.244 1202 D C -0.669 175.853 176.300 0.370 0.000 1.251 1202 D CA -0.330 53.804 54.000 0.224 0.000 0.961 1202 D CB 0.401 41.320 40.800 0.198 0.000 1.116 1202 D HN 0.265 nan 8.370 nan 0.000 0.484 1203 K N 0.737 121.280 120.400 0.240 0.000 2.267 1203 K HA 0.309 4.629 4.320 0.000 0.000 0.282 1203 K C -2.267 174.401 176.600 0.114 0.000 1.078 1203 K CA -1.511 54.889 56.287 0.189 0.000 0.903 1203 K CB 0.771 33.338 32.500 0.112 0.000 1.111 1203 K HN 0.340 nan 8.250 nan 0.000 0.475 1204 P HA -0.097 nan 4.420 nan 0.000 0.264 1204 P C -0.637 176.622 177.300 -0.068 0.000 1.183 1204 P CA 0.148 63.188 63.100 -0.100 0.000 0.763 1204 P CB 0.451 31.987 31.700 -0.273 0.000 0.807 1205 D N 2.742 123.100 120.400 -0.071 0.000 2.443 1205 D HA -0.038 4.602 4.640 0.000 0.000 0.239 1205 D C 0.606 176.866 176.300 -0.067 0.000 1.136 1205 D CA 0.538 54.506 54.000 -0.054 0.000 0.879 1205 D CB -0.109 40.661 40.800 -0.050 0.000 1.195 1205 D HN 0.475 nan 8.370 nan 0.000 0.443 1206 N N -0.362 118.308 118.700 -0.051 0.000 2.725 1206 N HA -0.211 4.529 4.740 0.000 0.000 0.249 1206 N C -0.137 175.334 175.510 -0.065 0.000 1.103 1206 N CA -0.116 52.902 53.050 -0.054 0.000 0.707 1206 N CB -1.323 37.130 38.487 -0.057 0.000 1.043 1206 N HN 0.350 nan 8.380 nan 0.000 0.553 1207 C N 1.151 120.412 119.300 -0.066 0.000 2.452 1207 C HA 0.373 4.833 4.460 0.000 0.000 0.379 1207 C C -1.757 173.196 174.990 -0.061 0.000 1.275 1207 C CA -1.561 57.411 59.018 -0.077 0.000 2.056 1207 C CB 0.016 27.707 27.740 -0.082 0.000 2.506 1207 C HN 0.187 nan 8.230 nan 0.000 0.560 1208 P HA 0.097 nan 4.420 nan 0.000 0.265 1208 P C 0.373 177.642 177.300 -0.053 0.000 1.193 1208 P CA 0.432 63.498 63.100 -0.056 0.000 0.765 1208 P CB 0.531 32.194 31.700 -0.060 0.000 0.823 1209 D N 2.136 122.511 120.400 -0.043 0.000 2.133 1209 D HA -0.180 4.460 4.640 0.000 0.000 0.195 1209 D C 1.760 178.032 176.300 -0.047 0.000 0.997 1209 D CA 1.688 55.664 54.000 -0.039 0.000 0.840 1209 D CB -0.230 40.552 40.800 -0.029 0.000 0.947 1209 D HN 0.450 nan 8.370 nan 0.000 0.452 1210 M N -0.191 119.380 119.600 -0.048 0.000 2.159 1210 M HA -0.119 4.361 4.480 0.000 0.000 0.263 1210 M C 2.206 178.466 176.300 -0.068 0.000 1.063 1210 M CA 0.963 56.232 55.300 -0.051 0.000 1.110 1210 M CB -0.112 32.461 32.600 -0.045 0.000 1.374 1210 M HN 0.032 nan 8.290 nan 0.000 0.411 1211 L N -0.430 120.745 121.223 -0.080 0.000 2.179 1211 L HA -0.139 4.201 4.340 0.000 0.000 0.208 1211 L C 2.268 179.053 176.870 -0.142 0.000 1.096 1211 L CA 0.720 55.492 54.840 -0.114 0.000 0.779 1211 L CB -0.491 41.498 42.059 -0.116 0.000 0.922 1211 L HN 0.324 nan 8.230 nan 0.000 0.443 1212 L N -0.202 120.960 121.223 -0.103 0.000 2.046 1212 L HA -0.207 4.134 4.340 0.000 0.000 0.208 1212 L C 2.640 179.440 176.870 -0.117 0.000 1.077 1212 L CA 1.069 55.853 54.840 -0.093 0.000 0.747 1212 L CB -0.351 41.682 42.059 -0.043 0.000 0.896 1212 L HN 0.246 nan 8.230 nan 0.000 0.432 1213 E N 0.739 120.883 120.200 -0.093 0.000 2.072 1213 E HA -0.181 4.169 4.350 0.000 0.000 0.191 1213 E C 2.186 178.712 176.600 -0.123 0.000 0.985 1213 E CA 1.293 57.643 56.400 -0.084 0.000 0.801 1213 E CB -0.264 29.403 29.700 -0.055 0.000 0.750 1213 E HN 0.348 nan 8.360 nan 0.000 0.452 1214 L N -0.242 120.901 121.223 -0.134 0.000 2.046 1214 L HA -0.186 4.154 4.340 0.000 0.000 0.208 1214 L C 2.703 179.392 176.870 -0.302 0.000 1.077 1214 L CA 1.430 56.185 54.840 -0.141 0.000 0.747 1214 L CB -0.417 41.597 42.059 -0.074 0.000 0.896 1214 L HN 0.289 nan 8.230 nan 0.000 0.432 1215 M N -0.955 118.370 119.600 -0.459 0.000 2.080 1215 M HA -0.259 4.221 4.480 0.000 0.000 0.260 1215 M C 2.495 178.317 176.300 -0.796 0.000 1.068 1215 M CA 1.689 56.413 55.300 -0.960 0.000 1.109 1215 M CB -0.480 31.511 32.600 -1.015 0.000 1.342 1215 M HN 0.164 nan 8.290 nan 0.000 0.405 1216 R N 0.494 120.787 120.500 -0.345 0.000 2.103 1216 R HA -0.186 4.154 4.340 0.000 0.000 0.242 1216 R C 1.974 178.214 176.300 -0.100 0.000 1.142 1216 R CA 1.882 57.912 56.100 -0.117 0.000 0.960 1216 R CB -0.165 30.108 30.300 -0.045 0.000 0.858 1216 R HN 0.360 nan 8.270 nan 0.000 0.439 1217 M N -0.693 118.823 119.600 -0.140 0.000 2.099 1217 M HA -0.176 4.304 4.480 0.000 0.000 0.262 1217 M C 2.519 178.762 176.300 -0.095 0.000 1.067 1217 M CA 1.377 56.625 55.300 -0.086 0.000 1.124 1217 M CB -0.098 32.456 32.600 -0.077 0.000 1.353 1217 M HN 0.261 nan 8.290 nan 0.000 0.410 1218 C N -0.820 118.345 119.300 -0.225 0.000 2.432 1218 C HA -0.122 4.338 4.460 0.000 0.000 0.282 1218 C C 1.445 176.361 174.990 -0.124 0.000 1.388 1218 C CA 0.193 59.088 59.018 -0.205 0.000 1.777 1218 C CB -1.044 26.494 27.740 -0.338 0.000 1.882 1218 C HN 0.643 nan 8.230 nan 0.000 0.520 1219 W N 0.949 122.079 121.300 -0.285 0.000 3.151 1219 W HA 0.316 4.976 4.660 0.001 0.000 0.424 1219 W C 0.409 176.943 176.519 0.026 0.000 1.012 1219 W CA -0.688 56.370 57.345 -0.478 0.000 2.018 1219 W CB -1.127 27.936 29.460 -0.663 0.000 1.087 1219 W HN 0.357 nan 8.180 nan 0.000 0.740 1220 Q N 0.195 120.165 119.800 0.283 0.000 2.311 1220 Q HA -0.086 4.254 4.340 0.000 0.000 0.272 1220 Q C 1.018 177.235 176.000 0.361 0.000 1.012 1220 Q CA 0.118 56.074 55.803 0.256 0.000 0.891 1220 Q CB 0.907 29.728 28.738 0.138 0.000 1.201 1220 Q HN 0.323 nan 8.270 nan 0.000 0.391 1221 Y N 3.424 123.848 120.300 0.206 0.000 2.224 1221 Y HA -0.207 4.343 4.550 -0.000 0.000 0.289 1221 Y C 0.981 176.919 175.900 0.064 0.000 1.146 1221 Y CA 1.417 59.604 58.100 0.144 0.000 1.182 1221 Y CB 0.316 38.809 38.460 0.055 0.000 0.983 1221 Y HN 0.660 nan 8.280 nan 0.000 0.524 1222 N N 1.676 120.473 118.700 0.162 0.000 2.401 1222 N HA 0.034 4.774 4.740 0.000 0.000 0.255 1222 N C -1.870 173.614 175.510 -0.043 0.000 1.110 1222 N CA -1.286 51.787 53.050 0.039 0.000 0.949 1222 N CB 0.903 39.420 38.487 0.049 0.000 1.110 1222 N HN 0.060 nan 8.380 nan 0.000 0.490 1223 P HA -0.234 nan 4.420 nan 0.000 0.217 1223 P C 0.990 178.024 177.300 -0.444 0.000 1.148 1223 P CA 1.668 64.650 63.100 -0.196 0.000 0.828 1223 P CB 0.086 31.684 31.700 -0.170 0.000 0.783 1224 K N -0.402 119.741 120.400 -0.429 0.000 2.362 1224 K HA 0.022 4.342 4.320 0.000 0.000 0.200 1224 K C 1.950 178.422 176.600 -0.213 0.000 1.046 1224 K CA 1.245 57.278 56.287 -0.423 0.000 0.952 1224 K CB -1.127 31.221 32.500 -0.254 0.000 0.753 1224 K HN 0.112 nan 8.250 nan 0.000 0.466 1225 M N 0.479 120.004 119.600 -0.126 0.000 2.541 1225 M HA 0.173 4.653 4.480 0.000 0.000 0.252 1225 M C 0.392 176.672 176.300 -0.033 0.000 1.125 1225 M CA 0.265 55.535 55.300 -0.050 0.000 1.091 1225 M CB -0.113 32.486 32.600 -0.001 0.000 1.420 1225 M HN 0.253 nan 8.290 nan 0.000 0.486 1226 R N 1.514 121.987 120.500 -0.045 0.000 2.582 1226 R HA 0.252 4.592 4.340 0.000 0.000 0.271 1226 R C -2.060 174.224 176.300 -0.026 0.000 1.078 1226 R CA -1.270 54.823 56.100 -0.010 0.000 1.127 1226 R CB -0.115 30.210 30.300 0.041 0.000 1.038 1226 R HN 0.061 nan 8.270 nan 0.000 0.500 1227 P HA 0.047 nan 4.420 nan 0.000 0.276 1227 P C -0.754 176.496 177.300 -0.083 0.000 1.261 1227 P CA -0.463 62.609 63.100 -0.046 0.000 0.800 1227 P CB 1.128 32.795 31.700 -0.055 0.000 1.066 1228 S N -0.372 115.298 115.700 -0.049 0.000 2.693 1228 S HA 0.284 4.754 4.470 0.000 0.000 0.276 1228 S C 1.055 175.579 174.600 -0.126 0.000 1.192 1228 S CA -0.437 57.725 58.200 -0.063 0.000 0.994 1228 S CB 0.070 63.307 63.200 0.062 0.000 1.012 1228 S HN 0.221 nan 8.310 nan 0.000 0.550 1229 F N 0.335 120.284 119.950 -0.000 0.000 2.216 1229 F HA 0.039 4.566 4.527 -0.000 0.000 0.300 1229 F C 2.023 177.825 175.800 0.002 0.000 1.085 1229 F CA 0.951 58.901 58.000 -0.082 0.000 1.326 1229 F CB -0.740 38.206 39.000 -0.090 0.000 1.027 1229 F HN 0.458 nan 8.300 nan 0.000 0.497 1230 L N -0.434 120.948 121.223 0.264 0.000 2.056 1230 L HA -0.203 4.137 4.340 0.000 0.000 0.207 1230 L C 2.295 179.279 176.870 0.191 0.000 1.078 1230 L CA 1.476 56.493 54.840 0.295 0.000 0.749 1230 L CB -0.693 41.530 42.059 0.274 0.000 0.901 1230 L HN 0.149 nan 8.230 nan 0.000 0.433 1231 E N 0.244 120.509 120.200 0.108 0.000 2.110 1231 E HA -0.212 4.138 4.350 0.000 0.000 0.193 1231 E C 2.264 178.870 176.600 0.010 0.000 0.988 1231 E CA 1.113 57.547 56.400 0.057 0.000 0.804 1231 E CB -0.090 29.629 29.700 0.030 0.000 0.745 1231 E HN 0.491 nan 8.360 nan 0.000 0.458 1232 I N 0.928 121.490 120.570 -0.012 0.000 2.179 1232 I HA -0.280 3.890 4.170 0.000 0.000 0.242 1232 I C 2.348 178.431 176.117 -0.057 0.000 1.088 1232 I CA 1.107 62.387 61.300 -0.033 0.000 1.357 1232 I CB -0.180 37.777 38.000 -0.072 0.000 1.051 1232 I HN 0.095 nan 8.210 nan 0.000 0.409 1233 I N -0.223 120.292 120.570 -0.091 0.000 2.226 1233 I HA -0.327 3.843 4.170 0.000 0.000 0.245 1233 I C 2.782 178.679 176.117 -0.365 0.000 1.100 1233 I CA 1.407 62.553 61.300 -0.256 0.000 1.374 1233 I CB -0.402 37.376 38.000 -0.371 0.000 1.057 1233 I HN 0.213 nan 8.210 nan 0.000 0.413 1234 S N 0.684 116.223 115.700 -0.269 0.000 2.365 1234 S HA -0.239 4.231 4.470 0.000 0.000 0.225 1234 S C 2.253 176.812 174.600 -0.067 0.000 1.039 1234 S CA 2.180 60.307 58.200 -0.122 0.000 1.033 1234 S CB -0.404 62.838 63.200 0.070 0.000 0.887 1234 S HN 0.620 nan 8.310 nan 0.000 0.447 1235 S N 1.358 117.027 115.700 -0.052 0.000 2.447 1235 S HA -0.002 4.468 4.470 0.000 0.000 0.233 1235 S C 1.603 176.176 174.600 -0.045 0.000 1.006 1235 S CA 0.978 59.159 58.200 -0.033 0.000 0.957 1235 S CB -0.784 62.402 63.200 -0.023 0.000 0.773 1235 S HN 0.847 nan 8.310 nan 0.000 0.507 1236 I N -1.601 118.922 120.570 -0.079 0.000 4.081 1236 I HA 0.348 4.518 4.170 0.000 0.000 0.333 1236 I C 1.610 177.660 176.117 -0.112 0.000 1.413 1236 I CA -0.479 60.770 61.300 -0.085 0.000 1.110 1236 I CB 0.029 37.976 38.000 -0.089 0.000 1.082 1236 I HN 0.119 nan 8.210 nan 0.000 0.402 1237 K N 1.673 122.006 120.400 -0.111 0.000 2.160 1237 K HA -0.158 4.162 4.320 0.000 0.000 0.206 1237 K C 1.740 178.355 176.600 0.026 0.000 1.047 1237 K CA 1.949 58.202 56.287 -0.056 0.000 0.930 1237 K CB -0.695 31.815 32.500 0.017 0.000 0.720 1237 K HN 0.481 nan 8.250 nan 0.000 0.450 1238 E N 2.155 122.368 120.200 0.021 0.000 2.347 1238 E HA -0.110 4.240 4.350 0.000 0.000 0.196 1238 E C 1.543 178.143 176.600 -0.001 0.000 1.008 1238 E CA 1.023 57.442 56.400 0.031 0.000 0.852 1238 E CB -0.426 29.291 29.700 0.028 0.000 0.783 1238 E HN 0.531 nan 8.360 nan 0.000 0.505 1239 E N -0.442 119.736 120.200 -0.036 0.000 2.474 1239 E HA 0.105 4.455 4.350 0.000 0.000 0.194 1239 E C 0.474 177.029 176.600 -0.076 0.000 1.041 1239 E CA -0.040 56.329 56.400 -0.051 0.000 0.874 1239 E CB 0.015 29.678 29.700 -0.061 0.000 0.914 1239 E HN 0.420 nan 8.360 nan 0.000 0.498 1240 M N 1.299 120.834 119.600 -0.109 0.000 2.241 1240 M HA 0.143 4.623 4.480 0.000 0.000 0.335 1240 M C 0.689 176.974 176.300 -0.025 0.000 1.122 1240 M CA -0.088 55.115 55.300 -0.161 0.000 1.164 1240 M CB 0.249 32.608 32.600 -0.401 0.000 1.459 1240 M HN -0.114 nan 8.290 nan 0.000 0.461 1241 E N 2.184 122.392 120.200 0.013 0.000 2.422 1241 E HA -0.007 4.343 4.350 0.000 0.000 0.260 1241 E C -1.553 175.110 176.600 0.105 0.000 1.108 1241 E CA -1.323 55.114 56.400 0.062 0.000 0.943 1241 E CB -0.020 29.729 29.700 0.082 0.000 0.961 1241 E HN 0.402 nan 8.360 nan 0.000 0.443 1242 P HA -0.186 nan 4.420 nan 0.000 0.215 1242 P C 1.217 178.553 177.300 0.060 0.000 1.163 1242 P CA 1.513 64.643 63.100 0.050 0.000 0.894 1242 P CB -0.027 31.689 31.700 0.026 0.000 0.791 1243 G N -1.855 106.991 108.800 0.077 0.000 2.653 1243 G HA2 -0.248 3.712 3.960 0.000 0.000 0.212 1243 G HA3 -0.248 3.712 3.960 0.000 0.000 0.212 1243 G C 1.183 176.147 174.900 0.107 0.000 1.138 1243 G CA -0.138 44.998 45.100 0.059 0.000 0.782 1243 G HN 0.170 nan 8.290 nan 0.000 0.535 1244 F N 1.798 121.774 119.950 0.044 0.000 2.186 1244 F HA -0.006 4.521 4.527 -0.000 0.000 0.299 1244 F C 2.694 178.570 175.800 0.126 0.000 1.090 1244 F CA 1.093 59.172 58.000 0.132 0.000 1.307 1244 F CB 0.015 39.113 39.000 0.163 0.000 1.019 1244 F HN 0.087 nan 8.300 nan 0.000 0.489 1245 R N 0.164 120.632 120.500 -0.054 0.000 2.148 1245 R HA -0.121 4.219 4.340 0.000 0.000 0.227 1245 R C 1.869 178.046 176.300 -0.205 0.000 1.103 1245 R CA 1.631 57.496 56.100 -0.391 0.000 0.983 1245 R CB -0.495 29.420 30.300 -0.640 0.000 0.874 1245 R HN 0.432 nan 8.270 nan 0.000 0.451 1246 E N 0.345 120.459 120.200 -0.143 0.000 2.170 1246 E HA -0.076 4.274 4.350 0.000 0.000 0.191 1246 E C 1.777 178.286 176.600 -0.151 0.000 0.981 1246 E CA 1.237 57.563 56.400 -0.123 0.000 0.830 1246 E CB 0.385 30.023 29.700 -0.103 0.000 0.775 1246 E HN 0.294 nan 8.360 nan 0.000 0.470 1247 V N -1.170 118.619 119.914 -0.208 0.000 3.645 1247 V HA 0.152 4.272 4.120 0.000 0.000 0.275 1247 V C 0.815 176.780 176.094 -0.214 0.000 1.356 1247 V CA -0.174 61.937 62.300 -0.316 0.000 1.051 1247 V CB 0.313 31.711 31.823 -0.710 0.000 0.828 1247 V HN 0.077 nan 8.190 nan 0.000 0.441 1248 S N -0.000 115.568 115.700 -0.220 0.000 2.592 1248 S HA 0.364 4.834 4.470 0.000 0.000 0.271 1248 S C 0.602 175.221 174.600 0.032 0.000 1.326 1248 S CA 0.055 58.151 58.200 -0.173 0.000 1.024 1248 S CB 0.978 63.616 63.200 -0.937 0.000 0.921 1248 S HN 0.464 nan 8.310 nan 0.000 0.527 1249 F N 2.271 122.256 119.950 0.057 0.000 2.259 1249 F HA -0.017 4.510 4.527 0.000 0.000 0.298 1249 F C 1.866 177.721 175.800 0.091 0.000 1.088 1249 F CA 1.059 59.121 58.000 0.105 0.000 1.358 1249 F CB -0.674 38.451 39.000 0.208 0.000 1.040 1249 F HN 0.817 nan 8.300 nan 0.000 0.505 1250 Y N 0.101 120.318 120.300 -0.138 0.000 2.081 1250 Y HA -0.323 4.227 4.550 -0.000 0.000 0.280 1250 Y C 1.625 177.279 175.900 -0.409 0.000 1.163 1250 Y CA 2.304 60.228 58.100 -0.293 0.000 1.135 1250 Y CB -0.969 37.415 38.460 -0.127 0.000 0.970 1250 Y HN 0.170 nan 8.280 nan 0.000 0.498 1251 Y N 0.199 120.405 120.300 -0.156 0.000 2.471 1251 Y HA 0.117 4.668 4.550 0.000 0.000 0.286 1251 Y C 1.341 177.118 175.900 -0.206 0.000 1.188 1251 Y CA 0.009 58.001 58.100 -0.180 0.000 1.286 1251 Y CB -0.228 38.201 38.460 -0.051 0.000 1.072 1251 Y HN 0.026 nan 8.280 nan 0.000 0.517 1252 S N -0.534 115.080 115.700 -0.143 0.000 2.614 1252 S HA 0.063 4.533 4.470 0.000 0.000 0.265 1252 S C 1.019 175.528 174.600 -0.152 0.000 1.303 1252 S CA -0.655 57.477 58.200 -0.114 0.000 1.000 1252 S CB 1.217 64.370 63.200 -0.078 0.000 0.935 1252 S HN 0.423 nan 8.310 nan 0.000 0.551 1253 E N 0.600 120.754 120.200 -0.076 0.000 2.268 1253 E HA -0.123 4.227 4.350 0.000 0.000 0.195 1253 E C 1.512 178.072 176.600 -0.067 0.000 0.995 1253 E CA 0.977 57.337 56.400 -0.067 0.000 0.836 1253 E CB -0.122 29.562 29.700 -0.027 0.000 0.763 1253 E HN 0.755 nan 8.360 nan 0.000 0.491 1254 E N 0.941 121.118 120.200 -0.038 0.000 2.265 1254 E HA -0.130 4.220 4.350 0.000 0.000 0.196 1254 E C 0.515 177.089 176.600 -0.043 0.000 0.996 1254 E CA 0.537 56.958 56.400 0.036 0.000 0.832 1254 E CB -0.033 29.793 29.700 0.210 0.000 0.756 1254 E HN 0.020 nan 8.360 nan 0.000 0.491 1255 N N 0.348 118.870 118.700 -0.298 0.000 2.589 1255 N HA 0.313 5.053 4.740 0.000 0.000 0.232 1255 N C -0.930 174.421 175.510 -0.265 0.000 1.015 1255 N CA 0.010 52.816 53.050 -0.406 0.000 0.931 1255 N CB 0.167 38.079 38.487 -0.957 0.000 1.150 1255 N HN 0.036 nan 8.380 nan 0.000 0.512 1256 K N 0.000 120.320 120.400 -0.134 0.000 2.780 1256 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1256 K CA 0.000 56.225 56.287 -0.103 0.000 0.838 1256 K CB 0.000 32.454 32.500 -0.076 0.000 1.064 1256 K HN 0.000 nan 8.250 nan 0.000 0.543