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 3bsx_1_A DATA FIRST_RESID 828 DATA SEQUENCE GRSRLLEDFR NNRYPNLQLR EIAGHIMEFS QDQHGSRFIQ LKLERATPAE DATA SEQUENCE RQLVFNEILQ AAYQLMVDVF GNYVIQKFFE FGSLEQKLAL AERIRGHVLS DATA SEQUENCE LALQMYGCRV IQKALEFIPS DQQNEMVREL DGHVLKCVKD QNGNHVVQKC DATA SEQUENCE IECVQPQSLQ FIIDAFKGQV FALSTHPYGC RVIQRILEHC LPDQTLPILE DATA SEQUENCE ELHQHTEQLV QDQYGNYVIQ HVLEHGRPED KSKIVAEIRG NVLVLSQHKF DATA SEQUENCE ASNVVEKCVT HASRTERAVL IDEVCTMNDG PHSALYTMMK DQYANYVVQK DATA SEQUENCE MIDVAEPGQR KIVMHKIRPH IATLRKYTYG KHILAKLEKY Y 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 828 G HA2 0.000 nan 3.960 nan 0.000 0.244 828 G HA3 0.000 3.834 3.960 -0.210 0.000 0.244 828 G C 0.000 174.908 174.900 0.014 0.000 0.946 828 G CA 0.000 45.107 45.100 0.012 0.000 0.502 829 R N 1.213 121.717 120.500 0.006 0.000 2.896 829 R HA 0.542 4.755 4.340 -0.210 0.000 0.283 829 R C 0.708 177.023 176.300 0.024 0.000 1.201 829 R CA 0.478 56.578 56.100 0.001 0.000 1.178 829 R CB 0.263 30.545 30.300 -0.030 0.000 1.152 829 R HN 0.464 nan 8.270 nan 0.000 0.590 830 S N -0.890 114.833 115.700 0.038 0.000 2.654 830 S HA 0.368 4.712 4.470 -0.210 0.000 0.283 830 S C 1.351 175.981 174.600 0.050 0.000 1.180 830 S CA -0.377 57.870 58.200 0.077 0.000 1.021 830 S CB 1.731 65.035 63.200 0.173 0.000 1.018 830 S HN 0.721 nan 8.310 nan 0.000 0.532 831 R N 0.278 120.814 120.500 0.060 0.000 2.091 831 R HA -0.057 4.157 4.340 -0.210 0.000 0.238 831 R C 2.165 178.507 176.300 0.070 0.000 1.136 831 R CA 1.913 58.047 56.100 0.057 0.000 0.959 831 R CB -1.952 28.385 30.300 0.061 0.000 0.856 831 R HN 0.763 nan 8.270 nan 0.000 0.437 832 L N -0.045 121.205 121.223 0.046 0.000 2.042 832 L HA -0.050 4.164 4.340 -0.210 0.000 0.210 832 L C 2.337 179.247 176.870 0.067 0.000 1.076 832 L CA 2.128 56.972 54.840 0.006 0.000 0.749 832 L CB -0.488 41.422 42.059 -0.250 0.000 0.893 832 L HN 0.416 nan 8.230 nan 0.000 0.432 833 L N -1.012 120.202 121.223 -0.014 0.000 2.068 833 L HA -0.058 4.156 4.340 -0.210 0.000 0.204 833 L C 2.450 179.272 176.870 -0.080 0.000 1.076 833 L CA 1.475 56.166 54.840 -0.248 0.000 0.753 833 L CB -0.793 41.014 42.059 -0.419 0.000 0.910 833 L HN 0.222 nan 8.230 nan 0.000 0.439 834 E N 0.093 120.277 120.200 -0.027 0.000 2.058 834 E HA -0.241 3.983 4.350 -0.210 0.000 0.194 834 E C 1.925 178.536 176.600 0.019 0.000 0.997 834 E CA 1.468 57.862 56.400 -0.009 0.000 0.801 834 E CB -0.321 29.378 29.700 -0.002 0.000 0.746 834 E HN 0.546 nan 8.360 nan 0.000 0.450 835 D N -0.308 120.141 120.400 0.081 0.000 2.149 835 D HA -0.167 4.347 4.640 -0.210 0.000 0.198 835 D C 1.805 178.223 176.300 0.197 0.000 0.990 835 D CA 0.661 54.746 54.000 0.142 0.000 0.839 835 D CB -0.289 40.670 40.800 0.266 0.000 0.948 835 D HN 0.150 nan 8.370 nan 0.000 0.460 836 F N 2.042 122.034 119.950 0.070 0.000 2.186 836 F HA -0.087 4.313 4.527 -0.211 0.000 0.299 836 F C 2.228 177.990 175.800 -0.064 0.000 1.090 836 F CA 1.072 59.080 58.000 0.013 0.000 1.307 836 F CB 0.022 38.966 39.000 -0.094 0.000 1.019 836 F HN -0.226 nan 8.300 nan 0.000 0.489 837 R N 0.423 120.764 120.500 -0.265 0.000 2.081 837 R HA -0.081 4.133 4.340 -0.210 0.000 0.235 837 R C 0.352 176.458 176.300 -0.324 0.000 1.131 837 R CA 1.066 56.963 56.100 -0.338 0.000 0.960 837 R CB -1.090 29.139 30.300 -0.118 0.000 0.856 837 R HN 0.332 nan 8.270 nan 0.000 0.436 838 N N 2.674 121.259 118.700 -0.192 0.000 3.331 838 N HA -0.039 4.574 4.740 -0.210 0.000 0.303 838 N C -0.034 175.385 175.510 -0.151 0.000 1.326 838 N CA -0.035 52.925 53.050 -0.152 0.000 1.207 838 N CB -0.170 38.265 38.487 -0.088 0.000 1.477 838 N HN 0.159 nan 8.380 nan 0.000 0.541 839 N N 0.759 119.324 118.700 -0.225 0.000 2.649 839 N HA -0.291 4.323 4.740 -0.210 0.000 0.255 839 N C 0.784 176.237 175.510 -0.095 0.000 0.991 839 N CA 0.669 53.613 53.050 -0.177 0.000 0.814 839 N CB -0.170 38.221 38.487 -0.161 0.000 0.960 839 N HN 0.554 nan 8.380 nan 0.000 0.551 840 R N -0.244 120.214 120.500 -0.069 0.000 2.325 840 R HA 0.051 4.264 4.340 -0.210 0.000 0.214 840 R C -0.234 175.871 176.300 -0.325 0.000 0.961 840 R CA 0.676 56.673 56.100 -0.172 0.000 1.086 840 R CB -0.460 29.722 30.300 -0.197 0.000 1.037 840 R HN 0.396 nan 8.270 nan 0.000 0.493 841 Y N -0.278 120.031 120.300 0.015 0.000 2.489 841 Y HA 0.269 4.693 4.550 -0.210 0.000 0.339 841 Y C -1.879 174.075 175.900 0.089 0.000 1.135 841 Y CA -2.258 55.881 58.100 0.064 0.000 1.321 841 Y CB 2.447 40.978 38.460 0.118 0.000 1.098 841 Y HN 0.076 nan 8.280 nan 0.000 0.590 842 P HA 0.061 nan 4.420 nan 0.000 0.235 842 P C -0.025 177.373 177.300 0.164 0.000 1.177 842 P CA 0.882 64.064 63.100 0.136 0.000 0.785 842 P CB 0.572 32.309 31.700 0.062 0.000 0.885 843 N N -0.414 118.391 118.700 0.176 0.000 2.279 843 N HA 0.141 4.755 4.740 -0.210 0.000 0.226 843 N C 0.012 175.636 175.510 0.189 0.000 1.126 843 N CA -0.350 52.794 53.050 0.156 0.000 0.846 843 N CB -0.251 38.303 38.487 0.111 0.000 1.050 843 N HN 0.030 nan 8.380 nan 0.000 0.502 844 L N 1.432 122.807 121.223 0.253 0.000 2.499 844 L HA 0.034 4.247 4.340 -0.210 0.000 0.273 844 L C -0.179 176.864 176.870 0.288 0.000 1.195 844 L CA 0.666 55.616 54.840 0.184 0.000 0.882 844 L CB 0.371 42.421 42.059 -0.014 0.000 1.133 844 L HN 0.148 nan 8.230 nan 0.000 0.483 845 Q N 3.854 123.748 119.800 0.157 0.000 2.351 845 Q HA 0.302 4.516 4.340 -0.210 0.000 0.273 845 Q C 0.893 176.949 176.000 0.094 0.000 1.077 845 Q CA -0.707 55.162 55.803 0.110 0.000 0.843 845 Q CB 1.680 30.434 28.738 0.027 0.000 1.367 845 Q HN 0.699 nan 8.270 nan 0.000 0.449 846 L N 0.521 121.749 121.223 0.008 0.000 2.127 846 L HA -0.223 3.991 4.340 -0.210 0.000 0.211 846 L C 2.166 179.002 176.870 -0.056 0.000 1.089 846 L CA 1.254 56.078 54.840 -0.027 0.000 0.757 846 L CB -0.154 41.858 42.059 -0.078 0.000 0.899 846 L HN 0.524 nan 8.230 nan 0.000 0.434 847 R N 0.558 121.030 120.500 -0.046 0.000 2.120 847 R HA -0.156 4.058 4.340 -0.210 0.000 0.234 847 R C 1.976 178.235 176.300 -0.068 0.000 1.123 847 R CA 1.309 57.382 56.100 -0.045 0.000 0.975 847 R CB -0.136 30.146 30.300 -0.029 0.000 0.866 847 R HN 0.397 nan 8.270 nan 0.000 0.446 848 E N -0.277 119.866 120.200 -0.095 0.000 2.418 848 E HA -0.084 4.140 4.350 -0.210 0.000 0.197 848 E C 1.237 177.688 176.600 -0.248 0.000 1.026 848 E CA 1.124 57.434 56.400 -0.150 0.000 0.862 848 E CB -0.007 29.591 29.700 -0.170 0.000 0.799 848 E HN 0.596 nan 8.360 nan 0.000 0.518 849 I N -2.947 117.450 120.570 -0.289 0.000 4.025 849 I HA 0.353 4.396 4.170 -0.210 0.000 0.336 849 I C 0.593 176.626 176.117 -0.139 0.000 1.390 849 I CA -0.664 60.390 61.300 -0.409 0.000 1.099 849 I CB 0.431 37.862 38.000 -0.948 0.000 1.049 849 I HN -0.265 nan 8.210 nan 0.000 0.394 850 A N 1.787 124.565 122.820 -0.071 0.000 2.591 850 A HA 0.339 4.533 4.320 -0.210 0.000 0.244 850 A C 1.602 179.196 177.584 0.016 0.000 1.031 850 A CA 1.005 53.026 52.037 -0.027 0.000 0.767 850 A CB -0.835 18.151 19.000 -0.023 0.000 0.942 850 A HN 1.355 nan 8.150 nan 0.000 0.514 851 G N 1.597 110.361 108.800 -0.059 0.000 2.175 851 G HA2 -0.201 3.633 3.960 -0.210 0.000 0.244 851 G HA3 -0.201 3.633 3.960 -0.210 0.000 0.244 851 G C 0.362 175.022 174.900 -0.400 0.000 0.982 851 G CA 0.565 45.546 45.100 -0.197 0.000 0.641 851 G HN 1.143 nan 8.290 nan 0.000 0.527 852 H N -0.499 118.536 119.070 -0.059 0.000 2.885 852 H HA 0.282 4.712 4.556 -0.210 0.000 0.254 852 H C 1.982 177.346 175.328 0.060 0.000 1.185 852 H CA -0.169 55.894 56.048 0.026 0.000 1.029 852 H CB 0.340 30.118 29.762 0.027 0.000 1.743 852 H HN 0.288 nan 8.280 nan 0.000 0.632 853 I N 0.501 121.108 120.570 0.062 0.000 2.202 853 I HA -0.223 3.821 4.170 -0.210 0.000 0.242 853 I C 2.407 178.596 176.117 0.121 0.000 1.091 853 I CA 1.120 62.458 61.300 0.063 0.000 1.368 853 I CB -0.388 37.621 38.000 0.015 0.000 1.058 853 I HN 0.202 nan 8.210 nan 0.000 0.410 854 M N 0.853 120.498 119.600 0.076 0.000 2.065 854 M HA -0.236 4.117 4.480 -0.210 0.000 0.259 854 M C 2.281 178.647 176.300 0.110 0.000 1.069 854 M CA 1.854 57.194 55.300 0.067 0.000 1.110 854 M CB -0.606 32.008 32.600 0.023 0.000 1.328 854 M HN 0.232 nan 8.290 nan 0.000 0.405 855 E N -1.105 119.178 120.200 0.137 0.000 2.077 855 E HA -0.228 3.996 4.350 -0.210 0.000 0.193 855 E C 1.906 178.597 176.600 0.152 0.000 0.989 855 E CA 1.542 58.025 56.400 0.137 0.000 0.800 855 E CB -0.262 29.532 29.700 0.157 0.000 0.746 855 E HN 0.482 nan 8.360 nan 0.000 0.452 856 F N 1.077 121.047 119.950 0.033 0.000 2.171 856 F HA -0.141 4.260 4.527 -0.211 0.000 0.300 856 F C 2.711 178.535 175.800 0.041 0.000 1.090 856 F CA 1.335 59.339 58.000 0.008 0.000 1.293 856 F CB -0.290 38.685 39.000 -0.042 0.000 1.013 856 F HN 0.005 nan 8.300 nan 0.000 0.486 857 S N -0.867 114.972 115.700 0.232 0.000 2.447 857 S HA -0.177 4.167 4.470 -0.210 0.000 0.233 857 S C 1.649 176.348 174.600 0.166 0.000 1.006 857 S CA 0.916 59.223 58.200 0.180 0.000 0.957 857 S CB -0.318 62.969 63.200 0.144 0.000 0.773 857 S HN 0.501 nan 8.310 nan 0.000 0.507 858 Q N 0.251 120.134 119.800 0.138 0.000 2.319 858 Q HA 0.186 4.400 4.340 -0.210 0.000 0.202 858 Q C -0.250 175.863 176.000 0.188 0.000 0.896 858 Q CA 0.019 55.918 55.803 0.160 0.000 0.942 858 Q CB 0.254 29.052 28.738 0.100 0.000 1.083 858 Q HN 0.431 nan 8.270 nan 0.000 0.510 859 D N -0.106 120.319 120.400 0.043 0.000 2.181 859 D HA 0.010 4.524 4.640 -0.210 0.000 0.248 859 D C 0.775 176.821 176.300 -0.423 0.000 1.020 859 D CA -0.227 53.693 54.000 -0.135 0.000 0.891 859 D CB 1.334 42.029 40.800 -0.174 0.000 1.187 859 D HN -0.106 nan 8.370 nan 0.000 0.443 860 Q N 1.520 120.787 119.800 -0.889 0.000 2.061 860 Q HA -0.238 3.975 4.340 -0.210 0.000 0.204 860 Q C 1.061 176.625 176.000 -0.725 0.000 0.984 860 Q CA 1.541 56.493 55.803 -1.419 0.000 0.846 860 Q CB 0.101 28.014 28.738 -1.375 0.000 0.902 860 Q HN 0.640 nan 8.270 nan 0.000 0.421 861 H N -1.267 117.662 119.070 -0.236 0.000 2.343 861 H HA 0.046 4.476 4.556 -0.210 0.000 0.303 861 H C 2.062 177.531 175.328 0.234 0.000 1.068 861 H CA 1.135 57.184 56.048 0.001 0.000 1.359 861 H CB -0.750 28.994 29.762 -0.029 0.000 1.402 861 H HN 0.487 nan 8.280 nan 0.000 0.515 862 G N 0.490 109.462 108.800 0.287 0.000 2.547 862 G HA2 -0.359 3.475 3.960 -0.210 0.000 0.221 862 G HA3 -0.359 3.475 3.960 -0.210 0.000 0.221 862 G C 2.107 177.171 174.900 0.273 0.000 1.140 862 G CA 1.713 46.934 45.100 0.201 0.000 0.760 862 G HN 0.457 nan 8.290 nan 0.000 0.583 863 S N 0.295 116.073 115.700 0.130 0.000 2.345 863 S HA -0.069 4.275 4.470 -0.210 0.000 0.220 863 S C 2.845 177.515 174.600 0.116 0.000 1.031 863 S CA 2.077 60.357 58.200 0.134 0.000 0.996 863 S CB -0.402 62.869 63.200 0.119 0.000 0.882 863 S HN 0.665 nan 8.310 nan 0.000 0.445 864 R N 0.538 121.084 120.500 0.078 0.000 2.105 864 R HA -0.048 4.166 4.340 -0.210 0.000 0.239 864 R C 2.073 178.454 176.300 0.135 0.000 1.135 864 R CA 2.029 58.166 56.100 0.061 0.000 0.967 864 R CB -2.034 28.300 30.300 0.057 0.000 0.861 864 R HN 0.701 nan 8.270 nan 0.000 0.442 865 F N 1.007 121.021 119.950 0.106 0.000 2.069 865 F HA -0.105 4.296 4.527 -0.210 0.000 0.298 865 F C 2.166 177.963 175.800 -0.005 0.000 1.113 865 F CA 1.932 59.986 58.000 0.089 0.000 1.214 865 F CB -0.213 38.842 39.000 0.091 0.000 0.978 865 F HN 0.144 nan 8.300 nan 0.000 0.474 866 I N 0.345 120.966 120.570 0.084 0.000 2.208 866 I HA -0.356 3.687 4.170 -0.210 0.000 0.245 866 I C 2.423 178.452 176.117 -0.148 0.000 1.097 866 I CA 1.709 62.973 61.300 -0.059 0.000 1.363 866 I CB -0.698 37.363 38.000 0.102 0.000 1.051 866 I HN 0.317 nan 8.210 nan 0.000 0.413 867 Q N 0.427 120.177 119.800 -0.084 0.000 2.050 867 Q HA -0.193 4.021 4.340 -0.210 0.000 0.202 867 Q C 2.366 178.245 176.000 -0.203 0.000 0.980 867 Q CA 1.461 57.190 55.803 -0.124 0.000 0.840 867 Q CB -0.172 28.524 28.738 -0.070 0.000 0.898 867 Q HN 0.515 nan 8.270 nan 0.000 0.424 868 L N 0.397 121.502 121.223 -0.197 0.000 2.027 868 L HA -0.172 4.042 4.340 -0.210 0.000 0.206 868 L C 2.359 179.054 176.870 -0.293 0.000 1.074 868 L CA 0.868 55.578 54.840 -0.218 0.000 0.745 868 L CB -0.358 41.606 42.059 -0.158 0.000 0.898 868 L HN 0.086 nan 8.230 nan 0.000 0.433 869 K N 0.342 120.492 120.400 -0.415 0.000 2.103 869 K HA -0.124 4.069 4.320 -0.210 0.000 0.207 869 K C 2.106 178.516 176.600 -0.317 0.000 1.048 869 K CA 1.297 57.331 56.287 -0.422 0.000 0.930 869 K CB -0.518 31.602 32.500 -0.635 0.000 0.716 869 K HN 0.309 nan 8.250 nan 0.000 0.444 870 L N 0.884 121.915 121.223 -0.320 0.000 2.083 870 L HA -0.185 4.029 4.340 -0.210 0.000 0.209 870 L C 2.258 178.887 176.870 -0.402 0.000 1.083 870 L CA 1.195 55.834 54.840 -0.335 0.000 0.752 870 L CB -0.338 41.489 42.059 -0.387 0.000 0.899 870 L HN 0.251 nan 8.230 nan 0.000 0.433 871 E N -0.018 119.928 120.200 -0.423 0.000 2.118 871 E HA -0.207 4.016 4.350 -0.210 0.000 0.195 871 E C 1.583 178.004 176.600 -0.299 0.000 0.992 871 E CA 1.060 57.182 56.400 -0.463 0.000 0.804 871 E CB 0.055 29.544 29.700 -0.352 0.000 0.741 871 E HN 0.381 nan 8.360 nan 0.000 0.458 872 R N -0.084 120.280 120.500 -0.227 0.000 2.552 872 R HA 0.306 4.520 4.340 -0.210 0.000 0.314 872 R C -0.542 175.675 176.300 -0.138 0.000 1.041 872 R CA -0.390 55.617 56.100 -0.154 0.000 1.076 872 R CB 1.106 31.333 30.300 -0.122 0.000 1.290 872 R HN -0.036 nan 8.270 nan 0.000 0.563 873 A N 0.928 123.651 122.820 -0.161 0.000 2.304 873 A HA 0.340 4.534 4.320 -0.210 0.000 0.301 873 A C 0.560 178.092 177.584 -0.086 0.000 1.132 873 A CA -0.500 51.465 52.037 -0.120 0.000 0.819 873 A CB 0.568 19.491 19.000 -0.128 0.000 1.094 873 A HN 0.286 nan 8.150 nan 0.000 0.492 874 T N 0.266 114.787 114.554 -0.056 0.000 2.856 874 T HA 0.284 4.508 4.350 -0.210 0.000 0.306 874 T C -1.873 172.812 174.700 -0.025 0.000 1.062 874 T CA -0.884 61.195 62.100 -0.034 0.000 1.083 874 T CB 0.293 69.146 68.868 -0.024 0.000 0.984 874 T HN 0.339 nan 8.240 nan 0.000 0.542 875 P HA -0.093 nan 4.420 nan 0.000 0.217 875 P C 1.601 178.904 177.300 0.005 0.000 1.148 875 P CA 1.546 64.645 63.100 -0.002 0.000 0.828 875 P CB -0.269 31.429 31.700 -0.004 0.000 0.783 876 A N -0.148 122.672 122.820 -0.000 0.000 1.898 876 A HA -0.206 3.988 4.320 -0.210 0.000 0.216 876 A C 2.103 179.694 177.584 0.012 0.000 1.181 876 A CA 1.482 53.521 52.037 0.003 0.000 0.620 876 A CB -1.013 17.985 19.000 -0.002 0.000 0.819 876 A HN 0.192 nan 8.150 nan 0.000 0.442 877 E N -0.370 119.832 120.200 0.004 0.000 2.106 877 E HA -0.138 4.086 4.350 -0.210 0.000 0.192 877 E C 2.211 178.834 176.600 0.038 0.000 0.984 877 E CA 0.743 57.146 56.400 0.004 0.000 0.806 877 E CB -0.183 29.502 29.700 -0.025 0.000 0.750 877 E HN 0.501 nan 8.360 nan 0.000 0.458 878 R N 0.661 121.192 120.500 0.053 0.000 2.115 878 R HA -0.144 4.070 4.340 -0.210 0.000 0.230 878 R C 2.304 178.776 176.300 0.285 0.000 1.111 878 R CA 1.067 57.261 56.100 0.157 0.000 0.976 878 R CB -0.140 30.219 30.300 0.099 0.000 0.870 878 R HN 0.077 nan 8.270 nan 0.000 0.445 879 Q N 1.414 121.301 119.800 0.145 0.000 2.172 879 Q HA -0.068 4.146 4.340 -0.210 0.000 0.200 879 Q C 1.937 178.009 176.000 0.121 0.000 0.964 879 Q CA 1.080 56.945 55.803 0.104 0.000 0.855 879 Q CB -0.172 28.584 28.738 0.029 0.000 0.918 879 Q HN 0.398 nan 8.270 nan 0.000 0.444 880 L N -0.821 120.453 121.223 0.086 0.000 2.017 880 L HA -0.127 4.087 4.340 -0.210 0.000 0.208 880 L C 1.821 178.730 176.870 0.064 0.000 1.073 880 L CA 1.389 56.262 54.840 0.055 0.000 0.745 880 L CB -0.394 41.681 42.059 0.027 0.000 0.894 880 L HN 0.146 nan 8.230 nan 0.000 0.432 881 V N 0.140 120.122 119.914 0.112 0.000 2.295 881 V HA -0.332 3.662 4.120 -0.210 0.000 0.246 881 V C 2.346 178.490 176.094 0.084 0.000 1.049 881 V CA 2.332 64.711 62.300 0.131 0.000 1.024 881 V CB -0.835 31.128 31.823 0.233 0.000 0.648 881 V HN 0.566 nan 8.190 nan 0.000 0.447 882 F N 1.498 121.375 119.950 -0.122 0.000 2.171 882 F HA -0.195 4.206 4.527 -0.211 0.000 0.300 882 F C 2.130 177.766 175.800 -0.273 0.000 1.090 882 F CA 2.054 59.773 58.000 -0.468 0.000 1.293 882 F CB -0.489 38.102 39.000 -0.681 0.000 1.013 882 F HN 0.237 nan 8.300 nan 0.000 0.486 883 N N 0.001 118.682 118.700 -0.032 0.000 2.137 883 N HA -0.215 4.399 4.740 -0.210 0.000 0.190 883 N C 1.525 176.924 175.510 -0.186 0.000 1.017 883 N CA 1.588 54.586 53.050 -0.088 0.000 0.859 883 N CB -0.190 38.293 38.487 -0.007 0.000 1.002 883 N HN 0.497 nan 8.380 nan 0.000 0.428 884 E N 0.264 120.369 120.200 -0.158 0.000 2.250 884 E HA -0.059 4.165 4.350 -0.210 0.000 0.192 884 E C 1.833 178.322 176.600 -0.185 0.000 0.986 884 E CA 0.496 56.814 56.400 -0.138 0.000 0.849 884 E CB 0.125 29.778 29.700 -0.078 0.000 0.797 884 E HN 0.530 nan 8.360 nan 0.000 0.482 885 I N -1.111 119.293 120.570 -0.276 0.000 3.059 885 I HA -0.047 3.997 4.170 -0.210 0.000 0.270 885 I C 2.011 177.887 176.117 -0.403 0.000 1.238 885 I CA 0.462 61.594 61.300 -0.281 0.000 1.478 885 I CB -0.036 37.833 38.000 -0.218 0.000 1.097 885 I HN -0.026 nan 8.210 nan 0.000 0.455 886 L N 0.757 121.628 121.223 -0.587 0.000 2.023 886 L HA -0.089 4.125 4.340 -0.210 0.000 0.205 886 L C 2.528 179.233 176.870 -0.274 0.000 1.073 886 L CA 1.823 56.316 54.840 -0.578 0.000 0.745 886 L CB -0.907 40.722 42.059 -0.716 0.000 0.900 886 L HN 0.222 nan 8.230 nan 0.000 0.435 887 Q N 0.739 120.417 119.800 -0.204 0.000 1.967 887 Q HA -0.124 4.090 4.340 -0.210 0.000 0.210 887 Q C 1.589 177.543 176.000 -0.077 0.000 1.005 887 Q CA 1.957 57.692 55.803 -0.114 0.000 0.862 887 Q CB -1.196 27.487 28.738 -0.092 0.000 0.939 887 Q HN 0.613 nan 8.270 nan 0.000 0.417 888 A N 0.319 123.096 122.820 -0.071 0.000 3.197 888 A HA 0.503 4.697 4.320 -0.210 0.000 0.263 888 A C 1.472 179.036 177.584 -0.033 0.000 1.524 888 A CA 0.639 52.658 52.037 -0.030 0.000 1.176 888 A CB -0.509 18.480 19.000 -0.018 0.000 1.096 888 A HN 0.305 nan 8.150 nan 0.000 0.655 889 A N -0.126 122.664 122.820 -0.051 0.000 1.883 889 A HA -0.161 4.033 4.320 -0.210 0.000 0.217 889 A C 1.894 179.475 177.584 -0.005 0.000 1.186 889 A CA 1.764 53.768 52.037 -0.055 0.000 0.624 889 A CB -0.814 18.145 19.000 -0.068 0.000 0.822 889 A HN 0.830 nan 8.150 nan 0.000 0.444 890 Y N 0.298 120.553 120.300 -0.075 0.000 2.128 890 Y HA -0.305 4.119 4.550 -0.211 0.000 0.284 890 Y C 2.624 178.481 175.900 -0.072 0.000 1.154 890 Y CA 2.506 60.547 58.100 -0.098 0.000 1.149 890 Y CB -0.393 37.944 38.460 -0.205 0.000 0.976 890 Y HN 0.502 nan 8.280 nan 0.000 0.505 891 Q N -0.086 119.724 119.800 0.016 0.000 2.181 891 Q HA -0.199 4.015 4.340 -0.210 0.000 0.205 891 Q C 2.005 177.947 176.000 -0.096 0.000 0.980 891 Q CA 1.934 57.719 55.803 -0.029 0.000 0.862 891 Q CB -0.226 28.527 28.738 0.026 0.000 0.905 891 Q HN 0.629 nan 8.270 nan 0.000 0.429 892 L N -0.468 120.706 121.223 -0.081 0.000 2.270 892 L HA -0.061 4.153 4.340 -0.210 0.000 0.210 892 L C 2.402 179.214 176.870 -0.096 0.000 1.104 892 L CA 0.372 55.177 54.840 -0.059 0.000 0.804 892 L CB -0.219 41.830 42.059 -0.016 0.000 0.937 892 L HN 0.330 nan 8.230 nan 0.000 0.450 893 M N -0.112 119.391 119.600 -0.162 0.000 2.229 893 M HA -0.113 4.241 4.480 -0.210 0.000 0.264 893 M C 1.882 178.067 176.300 -0.191 0.000 1.063 893 M CA 1.390 56.593 55.300 -0.161 0.000 1.114 893 M CB -0.195 32.294 32.600 -0.185 0.000 1.387 893 M HN 0.245 nan 8.290 nan 0.000 0.420 894 V N -3.191 116.548 119.914 -0.292 0.000 3.596 894 V HA 0.147 4.141 4.120 -0.210 0.000 0.289 894 V C -0.192 175.899 176.094 -0.006 0.000 1.336 894 V CA -0.181 62.011 62.300 -0.181 0.000 1.137 894 V CB -0.954 30.684 31.823 -0.308 0.000 0.966 894 V HN 0.151 nan 8.190 nan 0.000 0.428 895 D N -0.391 119.954 120.400 -0.092 0.000 2.210 895 D HA 0.326 4.840 4.640 -0.210 0.000 0.249 895 D C 1.028 177.009 176.300 -0.533 0.000 1.078 895 D CA 0.248 54.138 54.000 -0.183 0.000 0.875 895 D CB 2.203 42.934 40.800 -0.116 0.000 1.175 895 D HN -0.080 nan 8.370 nan 0.000 0.440 896 V N 4.242 123.562 119.914 -0.990 0.000 2.324 896 V HA -0.232 3.762 4.120 -0.210 0.000 0.250 896 V C 1.088 176.580 176.094 -1.003 0.000 1.060 896 V CA 1.949 63.199 62.300 -1.749 0.000 1.042 896 V CB -0.531 30.379 31.823 -1.522 0.000 0.650 896 V HN 0.700 nan 8.190 nan 0.000 0.450 897 F N -0.273 119.544 119.950 -0.223 0.000 2.602 897 F HA 0.355 4.756 4.527 -0.210 0.000 0.284 897 F C 2.341 178.194 175.800 0.089 0.000 1.111 897 F CA 0.546 58.567 58.000 0.035 0.000 1.405 897 F CB -0.585 38.416 39.000 0.002 0.000 1.121 897 F HN 0.203 nan 8.300 nan 0.000 0.603 898 G N 1.155 110.032 108.800 0.129 0.000 2.443 898 G HA2 -0.298 3.536 3.960 -0.210 0.000 0.219 898 G HA3 -0.298 3.536 3.960 -0.210 0.000 0.219 898 G C 1.254 176.189 174.900 0.060 0.000 1.131 898 G CA 1.095 46.257 45.100 0.104 0.000 0.775 898 G HN 0.492 nan 8.290 nan 0.000 0.547 899 N N -0.415 118.250 118.700 -0.057 0.000 2.192 899 N HA -0.233 4.381 4.740 -0.210 0.000 0.188 899 N C 1.762 177.239 175.510 -0.055 0.000 1.013 899 N CA 1.499 54.486 53.050 -0.105 0.000 0.863 899 N CB -0.667 37.688 38.487 -0.220 0.000 0.990 899 N HN 0.483 nan 8.380 nan 0.000 0.430 900 Y N 0.029 120.375 120.300 0.077 0.000 2.242 900 Y HA -0.060 4.364 4.550 -0.210 0.000 0.291 900 Y C 2.406 178.361 175.900 0.092 0.000 1.137 900 Y CA 0.915 59.068 58.100 0.088 0.000 1.181 900 Y CB -0.089 38.419 38.460 0.080 0.000 0.989 900 Y HN -0.000 nan 8.280 nan 0.000 0.527 901 V N -0.379 119.684 119.914 0.249 0.000 2.358 901 V HA -0.281 3.713 4.120 -0.210 0.000 0.246 901 V C 2.012 178.260 176.094 0.257 0.000 1.047 901 V CA 1.558 63.980 62.300 0.203 0.000 1.035 901 V CB -0.612 31.330 31.823 0.198 0.000 0.658 901 V HN 0.285 nan 8.190 nan 0.000 0.452 902 I N -0.010 120.696 120.570 0.227 0.000 2.179 902 I HA -0.275 3.768 4.170 -0.210 0.000 0.242 902 I C 2.589 178.880 176.117 0.289 0.000 1.088 902 I CA 1.649 63.092 61.300 0.239 0.000 1.357 902 I CB -0.653 37.446 38.000 0.164 0.000 1.051 902 I HN 0.316 nan 8.210 nan 0.000 0.409 903 Q N -0.121 119.853 119.800 0.289 0.000 2.167 903 Q HA -0.231 3.983 4.340 -0.210 0.000 0.202 903 Q C 2.163 178.325 176.000 0.269 0.000 0.970 903 Q CA 1.062 57.074 55.803 0.349 0.000 0.855 903 Q CB -0.117 28.775 28.738 0.258 0.000 0.911 903 Q HN 0.251 nan 8.270 nan 0.000 0.438 904 K N 0.361 120.859 120.400 0.163 0.000 2.074 904 K HA -0.153 4.040 4.320 -0.210 0.000 0.209 904 K C 1.466 178.034 176.600 -0.054 0.000 1.048 904 K CA 1.414 57.712 56.287 0.020 0.000 0.926 904 K CB -0.260 32.127 32.500 -0.188 0.000 0.713 904 K HN 0.126 nan 8.250 nan 0.000 0.444 905 F N -1.104 118.886 119.950 0.067 0.000 2.325 905 F HA -0.005 4.396 4.527 -0.211 0.000 0.299 905 F C 1.668 177.403 175.800 -0.108 0.000 1.090 905 F CA 0.813 58.797 58.000 -0.027 0.000 1.392 905 F CB -0.267 38.713 39.000 -0.033 0.000 1.053 905 F HN -0.025 nan 8.300 nan 0.000 0.521 906 F N 0.363 120.408 119.950 0.159 0.000 2.259 906 F HA -0.125 4.277 4.527 -0.209 0.000 0.298 906 F C 2.215 177.746 175.800 -0.447 0.000 1.088 906 F CA 1.006 59.013 58.000 0.012 0.000 1.358 906 F CB -0.374 38.707 39.000 0.134 0.000 1.040 906 F HN -0.022 nan 8.300 nan 0.000 0.505 907 E N -0.576 119.445 120.200 -0.298 0.000 2.072 907 E HA -0.122 4.102 4.350 -0.210 0.000 0.190 907 E C 0.410 176.583 176.600 -0.711 0.000 0.982 907 E CA 1.064 56.972 56.400 -0.820 0.000 0.803 907 E CB -0.097 29.415 29.700 -0.314 0.000 0.755 907 E HN 0.351 nan 8.360 nan 0.000 0.453 908 F N 0.044 119.812 119.950 -0.303 0.000 2.841 908 F HA 0.366 4.767 4.527 -0.210 0.000 0.358 908 F C 0.573 176.282 175.800 -0.153 0.000 1.261 908 F CA -0.621 57.248 58.000 -0.218 0.000 1.233 908 F CB 1.133 40.004 39.000 -0.216 0.000 1.008 908 F HN -0.153 nan 8.300 nan 0.000 0.507 909 G N -0.037 108.789 108.800 0.043 0.000 2.471 909 G HA2 0.480 4.313 3.960 -0.210 0.000 0.332 909 G HA3 0.480 4.313 3.960 -0.210 0.000 0.332 909 G C -0.186 174.714 174.900 0.000 0.000 1.176 909 G CA -0.609 44.533 45.100 0.071 0.000 0.949 909 G HN 0.196 nan 8.290 nan 0.000 0.488 910 S N -0.096 115.575 115.700 -0.049 0.000 2.596 910 S HA 0.066 4.410 4.470 -0.210 0.000 0.260 910 S C 1.521 176.091 174.600 -0.049 0.000 1.336 910 S CA -0.328 57.837 58.200 -0.058 0.000 0.993 910 S CB 0.952 64.094 63.200 -0.095 0.000 0.923 910 S HN 0.656 nan 8.310 nan 0.000 0.567 911 L N 0.753 121.963 121.223 -0.021 0.000 2.046 911 L HA 0.016 4.230 4.340 -0.210 0.000 0.208 911 L C 2.535 179.397 176.870 -0.014 0.000 1.077 911 L CA 2.207 57.051 54.840 0.007 0.000 0.747 911 L CB -1.359 40.710 42.059 0.018 0.000 0.896 911 L HN 0.952 nan 8.230 nan 0.000 0.432 912 E N -0.719 119.451 120.200 -0.051 0.000 2.077 912 E HA -0.252 3.972 4.350 -0.210 0.000 0.193 912 E C 2.224 178.760 176.600 -0.107 0.000 0.989 912 E CA 1.534 57.898 56.400 -0.059 0.000 0.800 912 E CB -0.126 29.534 29.700 -0.067 0.000 0.746 912 E HN 0.624 nan 8.360 nan 0.000 0.452 913 Q N -0.073 119.561 119.800 -0.277 0.000 2.096 913 Q HA -0.176 4.037 4.340 -0.210 0.000 0.204 913 Q C 2.078 177.972 176.000 -0.176 0.000 0.982 913 Q CA 1.613 57.094 55.803 -0.536 0.000 0.850 913 Q CB -0.082 28.084 28.738 -0.953 0.000 0.901 913 Q HN 0.154 nan 8.270 nan 0.000 0.422 914 K N 0.255 120.602 120.400 -0.089 0.000 2.155 914 K HA -0.057 4.137 4.320 -0.210 0.000 0.203 914 K C 2.007 178.695 176.600 0.145 0.000 1.052 914 K CA 0.739 57.038 56.287 0.019 0.000 0.948 914 K CB 0.045 32.660 32.500 0.192 0.000 0.728 914 K HN 0.182 nan 8.250 nan 0.000 0.448 915 L N 0.296 121.580 121.223 0.103 0.000 2.072 915 L HA -0.095 4.119 4.340 -0.210 0.000 0.205 915 L C 2.566 179.506 176.870 0.117 0.000 1.079 915 L CA 0.870 55.780 54.840 0.117 0.000 0.752 915 L CB -0.559 41.545 42.059 0.075 0.000 0.906 915 L HN 0.163 nan 8.230 nan 0.000 0.436 916 A N 0.221 123.106 122.820 0.108 0.000 1.933 916 A HA -0.155 4.039 4.320 -0.210 0.000 0.218 916 A C 2.252 179.911 177.584 0.125 0.000 1.175 916 A CA 1.403 53.518 52.037 0.131 0.000 0.628 916 A CB -0.577 18.553 19.000 0.216 0.000 0.814 916 A HN 0.361 nan 8.150 nan 0.000 0.444 917 L N -1.163 120.134 121.223 0.123 0.000 2.109 917 L HA -0.105 4.109 4.340 -0.210 0.000 0.207 917 L C 3.066 180.081 176.870 0.242 0.000 1.086 917 L CA 0.885 55.783 54.840 0.097 0.000 0.760 917 L CB -0.505 41.465 42.059 -0.149 0.000 0.910 917 L HN 0.428 nan 8.230 nan 0.000 0.437 918 A N -0.484 122.516 122.820 0.300 0.000 1.930 918 A HA -0.220 3.974 4.320 -0.210 0.000 0.217 918 A C 2.284 179.976 177.584 0.180 0.000 1.175 918 A CA 1.463 53.671 52.037 0.285 0.000 0.627 918 A CB -0.427 18.726 19.000 0.255 0.000 0.815 918 A HN 0.377 nan 8.150 nan 0.000 0.443 919 E N -0.094 120.191 120.200 0.142 0.000 2.153 919 E HA -0.183 4.041 4.350 -0.210 0.000 0.194 919 E C 1.851 178.520 176.600 0.114 0.000 0.988 919 E CA 0.669 57.131 56.400 0.104 0.000 0.811 919 E CB -0.136 29.612 29.700 0.080 0.000 0.746 919 E HN 0.363 nan 8.360 nan 0.000 0.466 920 R N 0.013 120.594 120.500 0.135 0.000 2.193 920 R HA 0.070 4.283 4.340 -0.210 0.000 0.213 920 R C 2.306 178.755 176.300 0.248 0.000 1.055 920 R CA 0.324 56.516 56.100 0.154 0.000 0.995 920 R CB -0.256 30.107 30.300 0.105 0.000 0.893 920 R HN 0.318 nan 8.270 nan 0.000 0.459 921 I N 0.139 120.857 120.570 0.246 0.000 2.584 921 I HA -0.060 3.984 4.170 -0.210 0.000 0.255 921 I C 1.170 177.427 176.117 0.233 0.000 1.145 921 I CA 0.050 61.520 61.300 0.283 0.000 1.462 921 I CB 0.038 38.181 38.000 0.237 0.000 1.102 921 I HN -0.051 nan 8.210 nan 0.000 0.433 922 R N 1.436 122.021 120.500 0.142 0.000 2.494 922 R HA -0.020 4.193 4.340 -0.210 0.000 0.291 922 R C 1.040 177.285 176.300 -0.091 0.000 0.953 922 R CA 1.219 57.342 56.100 0.039 0.000 1.098 922 R CB -0.030 30.289 30.300 0.032 0.000 0.911 922 R HN 0.474 nan 8.270 nan 0.000 0.407 923 G N 3.390 112.095 108.800 -0.159 0.000 2.176 923 G HA2 -0.260 3.574 3.960 -0.210 0.000 0.253 923 G HA3 -0.260 3.574 3.960 -0.210 0.000 0.253 923 G C 0.372 174.961 174.900 -0.518 0.000 0.979 923 G CA 0.323 45.215 45.100 -0.347 0.000 0.641 923 G HN 0.802 nan 8.290 nan 0.000 0.530 924 H N -0.902 118.176 119.070 0.012 0.000 3.058 924 H HA 0.339 4.769 4.556 -0.211 0.000 0.266 924 H C 2.299 177.669 175.328 0.070 0.000 1.135 924 H CA 0.474 56.547 56.048 0.043 0.000 1.174 924 H CB 0.285 30.116 29.762 0.114 0.000 1.581 924 H HN 0.250 nan 8.280 nan 0.000 0.553 925 V N 1.439 121.417 119.914 0.106 0.000 2.252 925 V HA -0.289 3.704 4.120 -0.210 0.000 0.249 925 V C 2.548 178.676 176.094 0.057 0.000 1.056 925 V CA 1.985 64.335 62.300 0.083 0.000 1.022 925 V CB -0.514 31.336 31.823 0.045 0.000 0.641 925 V HN 0.224 nan 8.190 nan 0.000 0.445 926 L N 0.975 122.203 121.223 0.008 0.000 2.027 926 L HA -0.130 4.084 4.340 -0.210 0.000 0.206 926 L C 2.732 179.589 176.870 -0.022 0.000 1.074 926 L CA 2.594 57.406 54.840 -0.045 0.000 0.745 926 L CB -0.889 41.061 42.059 -0.181 0.000 0.898 926 L HN 0.520 nan 8.230 nan 0.000 0.433 927 S N -1.031 114.680 115.700 0.018 0.000 2.399 927 S HA -0.177 4.166 4.470 -0.210 0.000 0.231 927 S C 2.073 176.718 174.600 0.074 0.000 1.022 927 S CA 1.440 59.671 58.200 0.051 0.000 0.983 927 S CB -0.958 62.304 63.200 0.102 0.000 0.803 927 S HN 0.498 nan 8.310 nan 0.000 0.480 928 L N 1.260 122.551 121.223 0.113 0.000 2.056 928 L HA 0.033 4.247 4.340 -0.210 0.000 0.207 928 L C 3.200 180.076 176.870 0.009 0.000 1.078 928 L CA 1.082 55.961 54.840 0.066 0.000 0.749 928 L CB -0.804 41.318 42.059 0.105 0.000 0.901 928 L HN 0.476 nan 8.230 nan 0.000 0.433 929 A N -0.176 122.653 122.820 0.014 0.000 2.024 929 A HA -0.129 4.065 4.320 -0.210 0.000 0.220 929 A C 2.036 179.605 177.584 -0.025 0.000 1.164 929 A CA 1.358 53.392 52.037 -0.004 0.000 0.643 929 A CB -0.509 18.496 19.000 0.008 0.000 0.806 929 A HN 0.430 nan 8.150 nan 0.000 0.451 930 L N -1.058 120.148 121.223 -0.029 0.000 2.628 930 L HA 0.167 4.381 4.340 -0.210 0.000 0.229 930 L C 0.954 177.784 176.870 -0.065 0.000 1.137 930 L CA -0.094 54.721 54.840 -0.042 0.000 0.909 930 L CB 0.114 42.153 42.059 -0.034 0.000 1.137 930 L HN 0.434 nan 8.230 nan 0.000 0.470 931 Q N -0.031 119.720 119.800 -0.081 0.000 2.306 931 Q HA 0.215 4.429 4.340 -0.210 0.000 0.265 931 Q C 0.686 176.562 176.000 -0.207 0.000 1.022 931 Q CA -0.395 55.328 55.803 -0.133 0.000 0.853 931 Q CB 2.449 31.124 28.738 -0.104 0.000 1.327 931 Q HN 0.112 nan 8.270 nan 0.000 0.449 932 M N 2.330 121.716 119.600 -0.356 0.000 2.108 932 M HA -0.212 4.142 4.480 -0.210 0.000 0.261 932 M C 0.579 176.586 176.300 -0.488 0.000 1.066 932 M CA 2.040 57.041 55.300 -0.500 0.000 1.107 932 M CB 0.086 32.214 32.600 -0.787 0.000 1.356 932 M HN 0.745 nan 8.290 nan 0.000 0.406 933 Y N -2.079 118.141 120.300 -0.134 0.000 2.301 933 Y HA 0.193 4.617 4.550 -0.210 0.000 0.295 933 Y C 2.481 178.287 175.900 -0.157 0.000 1.126 933 Y CA 0.317 58.312 58.100 -0.175 0.000 1.154 933 Y CB -1.113 37.224 38.460 -0.205 0.000 1.075 933 Y HN 0.239 nan 8.280 nan 0.000 0.534 934 G N 0.686 109.465 108.800 -0.036 0.000 2.505 934 G HA2 -0.391 3.443 3.960 -0.210 0.000 0.220 934 G HA3 -0.391 3.443 3.960 -0.210 0.000 0.220 934 G C 1.731 176.608 174.900 -0.039 0.000 1.145 934 G CA 1.593 46.656 45.100 -0.061 0.000 0.761 934 G HN 0.651 nan 8.290 nan 0.000 0.571 935 C N 0.169 119.436 119.300 -0.055 0.000 2.419 935 C HA 0.175 4.509 4.460 -0.210 0.000 0.281 935 C C 2.712 177.679 174.990 -0.039 0.000 1.336 935 C CA 0.709 59.701 59.018 -0.043 0.000 1.770 935 C CB -0.782 26.924 27.740 -0.055 0.000 1.929 935 C HN 0.323 nan 8.230 nan 0.000 0.509 936 R N 1.114 121.587 120.500 -0.046 0.000 2.093 936 R HA 0.080 4.293 4.340 -0.210 0.000 0.224 936 R C 2.394 178.685 176.300 -0.014 0.000 1.101 936 R CA 1.196 57.270 56.100 -0.043 0.000 0.979 936 R CB -1.163 29.093 30.300 -0.073 0.000 0.877 936 R HN 0.557 nan 8.270 nan 0.000 0.441 937 V N 2.091 122.007 119.914 0.002 0.000 2.287 937 V HA -0.244 3.750 4.120 -0.210 0.000 0.248 937 V C 2.472 178.562 176.094 -0.006 0.000 1.053 937 V CA 1.536 63.873 62.300 0.061 0.000 1.027 937 V CB -0.428 31.451 31.823 0.093 0.000 0.646 937 V HN 0.124 nan 8.190 nan 0.000 0.447 938 I N -0.195 120.363 120.570 -0.020 0.000 2.179 938 I HA -0.273 3.771 4.170 -0.210 0.000 0.242 938 I C 2.603 178.663 176.117 -0.095 0.000 1.088 938 I CA 1.703 62.972 61.300 -0.051 0.000 1.357 938 I CB -1.401 36.591 38.000 -0.013 0.000 1.051 938 I HN 0.438 nan 8.210 nan 0.000 0.409 939 Q N 0.467 120.229 119.800 -0.063 0.000 2.061 939 Q HA -0.277 3.937 4.340 -0.210 0.000 0.204 939 Q C 2.266 178.212 176.000 -0.089 0.000 0.984 939 Q CA 2.071 57.835 55.803 -0.065 0.000 0.846 939 Q CB -0.192 28.524 28.738 -0.036 0.000 0.902 939 Q HN 0.322 nan 8.270 nan 0.000 0.421 940 K N 0.585 120.949 120.400 -0.061 0.000 2.057 940 K HA -0.143 4.051 4.320 -0.210 0.000 0.207 940 K C 1.891 178.365 176.600 -0.210 0.000 1.049 940 K CA 1.311 57.594 56.287 -0.006 0.000 0.931 940 K CB -0.306 32.259 32.500 0.108 0.000 0.714 940 K HN 0.208 nan 8.250 nan 0.000 0.440 941 A N 0.752 123.205 122.820 -0.613 0.000 1.902 941 A HA -0.129 4.065 4.320 -0.210 0.000 0.217 941 A C 2.130 179.464 177.584 -0.417 0.000 1.181 941 A CA 1.625 53.031 52.037 -1.052 0.000 0.623 941 A CB -0.756 17.670 19.000 -0.956 0.000 0.818 941 A HN 0.336 nan 8.150 nan 0.000 0.443 942 L N -0.826 120.247 121.223 -0.250 0.000 2.127 942 L HA -0.211 4.003 4.340 -0.210 0.000 0.211 942 L C 2.552 179.309 176.870 -0.187 0.000 1.089 942 L CA 1.822 56.563 54.840 -0.164 0.000 0.757 942 L CB -0.411 41.571 42.059 -0.127 0.000 0.899 942 L HN 0.624 nan 8.230 nan 0.000 0.434 943 E N -0.255 119.791 120.200 -0.257 0.000 2.285 943 E HA -0.128 4.096 4.350 -0.210 0.000 0.194 943 E C 1.315 177.548 176.600 -0.612 0.000 0.997 943 E CA 0.859 56.979 56.400 -0.467 0.000 0.845 943 E CB 0.225 29.553 29.700 -0.620 0.000 0.782 943 E HN 0.511 nan 8.360 nan 0.000 0.491 944 F N 0.281 120.188 119.950 -0.072 0.000 2.856 944 F HA 0.279 4.681 4.527 -0.209 0.000 0.338 944 F C 0.516 176.355 175.800 0.064 0.000 1.100 944 F CA -0.804 57.204 58.000 0.013 0.000 1.150 944 F CB 0.691 39.747 39.000 0.093 0.000 1.101 944 F HN -0.055 nan 8.300 nan 0.000 0.548 945 I N -1.300 119.360 120.570 0.150 0.000 2.664 945 I HA 0.589 4.633 4.170 -0.210 0.000 0.308 945 I C -2.534 173.628 176.117 0.076 0.000 0.984 945 I CA -2.392 58.996 61.300 0.145 0.000 1.213 945 I CB 0.662 38.736 38.000 0.124 0.000 1.379 945 I HN -0.266 nan 8.210 nan 0.000 0.501 946 P HA 0.022 nan 4.420 nan 0.000 0.268 946 P C 0.753 178.069 177.300 0.026 0.000 1.208 946 P CA -0.019 63.108 63.100 0.046 0.000 0.777 946 P CB 0.843 32.573 31.700 0.050 0.000 0.875 947 S N 1.412 117.120 115.700 0.013 0.000 2.372 947 S HA -0.247 4.097 4.470 -0.210 0.000 0.227 947 S C 1.404 176.011 174.600 0.012 0.000 1.044 947 S CA 2.103 60.306 58.200 0.004 0.000 1.050 947 S CB -0.875 62.325 63.200 0.000 0.000 0.901 947 S HN 0.424 nan 8.310 nan 0.000 0.447 948 D N 0.359 120.770 120.400 0.018 0.000 2.178 948 D HA -0.058 4.456 4.640 -0.210 0.000 0.201 948 D C 2.197 178.512 176.300 0.024 0.000 0.980 948 D CA 1.056 55.068 54.000 0.020 0.000 0.842 948 D CB -0.368 40.444 40.800 0.020 0.000 0.948 948 D HN 0.459 nan 8.370 nan 0.000 0.472 949 Q N 0.075 119.894 119.800 0.032 0.000 2.137 949 Q HA 0.022 4.236 4.340 -0.210 0.000 0.198 949 Q C 2.132 178.151 176.000 0.032 0.000 0.960 949 Q CA 0.714 56.543 55.803 0.042 0.000 0.847 949 Q CB -0.013 28.765 28.738 0.067 0.000 0.915 949 Q HN 0.368 nan 8.270 nan 0.000 0.448 950 Q N 0.117 119.929 119.800 0.020 0.000 2.030 950 Q HA -0.174 4.039 4.340 -0.210 0.000 0.204 950 Q C 1.652 177.664 176.000 0.021 0.000 0.986 950 Q CA 1.401 57.209 55.803 0.007 0.000 0.843 950 Q CB -0.193 28.540 28.738 -0.009 0.000 0.904 950 Q HN 0.404 nan 8.270 nan 0.000 0.420 951 N N 0.901 119.615 118.700 0.023 0.000 2.094 951 N HA -0.191 4.423 4.740 -0.210 0.000 0.191 951 N C 1.535 177.056 175.510 0.018 0.000 1.023 951 N CA 1.420 54.488 53.050 0.030 0.000 0.857 951 N CB -0.282 38.220 38.487 0.025 0.000 1.013 951 N HN 0.356 nan 8.380 nan 0.000 0.426 952 E N 0.559 120.768 120.200 0.014 0.000 2.038 952 E HA -0.170 4.054 4.350 -0.210 0.000 0.195 952 E C 1.996 178.598 176.600 0.004 0.000 1.000 952 E CA 0.986 57.389 56.400 0.005 0.000 0.803 952 E CB -0.167 29.541 29.700 0.014 0.000 0.750 952 E HN 0.290 nan 8.360 nan 0.000 0.448 953 M N 0.528 120.140 119.600 0.019 0.000 2.080 953 M HA -0.177 4.177 4.480 -0.210 0.000 0.260 953 M C 2.391 178.706 176.300 0.025 0.000 1.068 953 M CA 1.285 56.599 55.300 0.023 0.000 1.109 953 M CB -0.006 32.609 32.600 0.025 0.000 1.342 953 M HN 0.070 nan 8.290 nan 0.000 0.405 954 V N 0.197 120.137 119.914 0.043 0.000 2.548 954 V HA -0.210 3.783 4.120 -0.210 0.000 0.249 954 V C 2.151 178.228 176.094 -0.029 0.000 1.055 954 V CA 1.581 63.941 62.300 0.100 0.000 1.065 954 V CB -0.567 31.374 31.823 0.197 0.000 0.681 954 V HN 0.476 nan 8.190 nan 0.000 0.462 955 R N 0.017 120.451 120.500 -0.110 0.000 2.133 955 R HA -0.229 3.985 4.340 -0.210 0.000 0.247 955 R C 2.021 178.182 176.300 -0.232 0.000 1.151 955 R CA 2.055 58.005 56.100 -0.250 0.000 0.971 955 R CB -0.360 29.855 30.300 -0.141 0.000 0.866 955 R HN 0.659 nan 8.270 nan 0.000 0.447 956 E N 0.120 120.258 120.200 -0.102 0.000 2.338 956 E HA -0.138 4.086 4.350 -0.210 0.000 0.197 956 E C 1.266 177.887 176.600 0.035 0.000 1.007 956 E CA 0.506 56.885 56.400 -0.035 0.000 0.849 956 E CB 0.104 29.793 29.700 -0.019 0.000 0.774 956 E HN 0.122 nan 8.360 nan 0.000 0.506 957 L N 0.860 122.092 121.223 0.015 0.000 2.509 957 L HA 0.052 4.266 4.340 -0.210 0.000 0.222 957 L C 0.618 177.557 176.870 0.115 0.000 1.123 957 L CA 0.626 55.557 54.840 0.153 0.000 0.856 957 L CB -0.197 42.015 42.059 0.255 0.000 0.985 957 L HN -0.050 nan 8.230 nan 0.000 0.456 958 D N 0.087 120.323 120.400 -0.272 0.000 2.434 958 D HA 0.332 4.845 4.640 -0.210 0.000 0.252 958 D C 1.311 177.494 176.300 -0.195 0.000 1.185 958 D CA 1.215 54.973 54.000 -0.404 0.000 0.886 958 D CB 0.687 41.044 40.800 -0.738 0.000 1.148 958 D HN 0.329 nan 8.370 nan 0.000 0.483 959 G N 4.166 112.881 108.800 -0.142 0.000 2.213 959 G HA2 -0.215 3.618 3.960 -0.210 0.000 0.226 959 G HA3 -0.215 3.618 3.960 -0.210 0.000 0.226 959 G C 0.778 175.395 174.900 -0.471 0.000 0.992 959 G CA 0.030 44.928 45.100 -0.335 0.000 0.632 959 G HN 0.659 nan 8.290 nan 0.000 0.511 960 H N -0.339 118.762 119.070 0.052 0.000 2.916 960 H HA 0.384 4.814 4.556 -0.211 0.000 0.262 960 H C 2.147 177.513 175.328 0.064 0.000 1.178 960 H CA 0.451 56.524 56.048 0.042 0.000 1.090 960 H CB 0.384 30.162 29.762 0.027 0.000 1.657 960 H HN 0.234 nan 8.280 nan 0.000 0.601 961 V N 1.074 121.099 119.914 0.184 0.000 2.231 961 V HA -0.298 3.696 4.120 -0.210 0.000 0.248 961 V C 2.368 178.505 176.094 0.072 0.000 1.054 961 V CA 1.729 64.130 62.300 0.169 0.000 1.015 961 V CB -0.418 31.528 31.823 0.205 0.000 0.638 961 V HN 0.213 nan 8.190 nan 0.000 0.444 962 L N -0.215 121.010 121.223 0.003 0.000 2.127 962 L HA -0.173 4.040 4.340 -0.210 0.000 0.211 962 L C 2.367 179.196 176.870 -0.067 0.000 1.089 962 L CA 1.861 56.644 54.840 -0.095 0.000 0.757 962 L CB -1.001 40.985 42.059 -0.122 0.000 0.899 962 L HN 0.335 nan 8.230 nan 0.000 0.434 963 K N -1.072 119.331 120.400 0.004 0.000 2.057 963 K HA -0.178 4.015 4.320 -0.210 0.000 0.207 963 K C 2.201 178.806 176.600 0.008 0.000 1.049 963 K CA 1.776 58.075 56.287 0.020 0.000 0.931 963 K CB -0.150 32.396 32.500 0.077 0.000 0.714 963 K HN 0.377 nan 8.250 nan 0.000 0.440 964 C N -0.012 119.304 119.300 0.026 0.000 2.476 964 C HA -0.020 4.314 4.460 -0.210 0.000 0.278 964 C C 2.579 177.556 174.990 -0.022 0.000 1.274 964 C CA 0.235 59.260 59.018 0.011 0.000 1.713 964 C CB -0.469 27.298 27.740 0.044 0.000 2.039 964 C HN 0.300 nan 8.230 nan 0.000 0.484 965 V N 1.287 121.182 119.914 -0.031 0.000 2.392 965 V HA -0.238 3.756 4.120 -0.210 0.000 0.249 965 V C 2.333 178.359 176.094 -0.115 0.000 1.059 965 V CA 1.882 64.144 62.300 -0.064 0.000 1.051 965 V CB -0.593 31.183 31.823 -0.079 0.000 0.658 965 V HN 0.595 nan 8.190 nan 0.000 0.455 966 K N -0.337 119.962 120.400 -0.167 0.000 2.296 966 K HA -0.029 4.165 4.320 -0.210 0.000 0.200 966 K C 0.970 177.695 176.600 0.209 0.000 1.048 966 K CA 0.240 56.420 56.287 -0.177 0.000 0.966 966 K CB -0.026 32.336 32.500 -0.230 0.000 0.754 966 K HN 0.487 nan 8.250 nan 0.000 0.466 967 D N 1.223 121.668 120.400 0.074 0.000 2.389 967 D HA -0.069 4.445 4.640 -0.210 0.000 0.247 967 D C 0.639 176.852 176.300 -0.146 0.000 1.128 967 D CA 0.183 54.203 54.000 0.033 0.000 0.884 967 D CB 1.343 42.132 40.800 -0.018 0.000 1.194 967 D HN 0.098 nan 8.370 nan 0.000 0.441 968 Q N 3.280 122.959 119.800 -0.203 0.000 2.170 968 Q HA -0.174 4.040 4.340 -0.210 0.000 0.203 968 Q C 0.866 176.670 176.000 -0.326 0.000 0.976 968 Q CA 1.368 56.814 55.803 -0.596 0.000 0.858 968 Q CB 0.272 28.876 28.738 -0.223 0.000 0.907 968 Q HN 0.473 nan 8.270 nan 0.000 0.433 969 N N -0.775 117.833 118.700 -0.153 0.000 2.349 969 N HA -0.011 4.603 4.740 -0.210 0.000 0.180 969 N C 1.737 177.231 175.510 -0.027 0.000 1.024 969 N CA 1.076 54.089 53.050 -0.062 0.000 0.869 969 N CB -0.484 37.945 38.487 -0.096 0.000 1.022 969 N HN 0.311 nan 8.380 nan 0.000 0.433 970 G N 1.976 110.742 108.800 -0.058 0.000 2.485 970 G HA2 -0.315 3.519 3.960 -0.210 0.000 0.221 970 G HA3 -0.315 3.519 3.960 -0.210 0.000 0.221 970 G C 1.401 176.268 174.900 -0.054 0.000 1.115 970 G CA 1.423 46.500 45.100 -0.038 0.000 0.751 970 G HN 0.566 nan 8.290 nan 0.000 0.567 971 N N -0.559 118.058 118.700 -0.139 0.000 2.244 971 N HA -0.133 4.481 4.740 -0.210 0.000 0.183 971 N C 1.824 177.194 175.510 -0.233 0.000 1.016 971 N CA 1.426 54.358 53.050 -0.196 0.000 0.866 971 N CB -0.601 37.720 38.487 -0.277 0.000 0.980 971 N HN 0.402 nan 8.380 nan 0.000 0.430 972 H N -0.297 118.708 119.070 -0.108 0.000 2.389 972 H HA 0.034 4.466 4.556 -0.207 0.000 0.299 972 H C 2.003 177.290 175.328 -0.069 0.000 1.081 972 H CA 1.368 57.363 56.048 -0.087 0.000 1.345 972 H CB -0.114 29.589 29.762 -0.099 0.000 1.393 972 H HN 0.130 nan 8.280 nan 0.000 0.520 973 V N 0.810 120.754 119.914 0.049 0.000 2.295 973 V HA -0.211 3.783 4.120 -0.210 0.000 0.246 973 V C 2.785 178.874 176.094 -0.008 0.000 1.049 973 V CA 1.304 63.610 62.300 0.011 0.000 1.024 973 V CB -0.552 31.276 31.823 0.008 0.000 0.648 973 V HN 0.170 nan 8.190 nan 0.000 0.447 974 V N -0.551 119.354 119.914 -0.014 0.000 2.343 974 V HA -0.330 3.664 4.120 -0.210 0.000 0.247 974 V C 2.441 178.498 176.094 -0.061 0.000 1.051 974 V CA 2.085 64.369 62.300 -0.026 0.000 1.036 974 V CB -0.743 31.075 31.823 -0.009 0.000 0.654 974 V HN 0.589 nan 8.190 nan 0.000 0.451 975 Q N -0.360 119.401 119.800 -0.064 0.000 2.084 975 Q HA -0.273 3.940 4.340 -0.210 0.000 0.202 975 Q C 2.376 178.327 176.000 -0.082 0.000 0.978 975 Q CA 1.653 57.414 55.803 -0.069 0.000 0.844 975 Q CB -0.223 28.482 28.738 -0.054 0.000 0.898 975 Q HN 0.391 nan 8.270 nan 0.000 0.426 976 K N 0.647 121.009 120.400 -0.063 0.000 2.097 976 K HA -0.098 4.096 4.320 -0.210 0.000 0.206 976 K C 1.883 178.411 176.600 -0.119 0.000 1.049 976 K CA 1.137 57.370 56.287 -0.090 0.000 0.933 976 K CB -0.600 31.862 32.500 -0.063 0.000 0.717 976 K HN 0.205 nan 8.250 nan 0.000 0.442 977 C N 0.054 119.298 119.300 -0.093 0.000 2.413 977 C HA -0.085 4.249 4.460 -0.210 0.000 0.277 977 C C 2.497 177.402 174.990 -0.141 0.000 1.228 977 C CA 0.903 59.866 59.018 -0.093 0.000 1.731 977 C CB -0.890 26.818 27.740 -0.054 0.000 2.042 977 C HN 0.485 nan 8.230 nan 0.000 0.468 978 I N 0.755 121.228 120.570 -0.162 0.000 2.208 978 I HA -0.251 3.793 4.170 -0.210 0.000 0.245 978 I C 2.526 178.438 176.117 -0.343 0.000 1.097 978 I CA 1.758 62.941 61.300 -0.195 0.000 1.363 978 I CB -0.543 37.369 38.000 -0.147 0.000 1.051 978 I HN 0.473 nan 8.210 nan 0.000 0.413 979 E N -0.351 119.588 120.200 -0.435 0.000 2.072 979 E HA -0.183 4.040 4.350 -0.210 0.000 0.191 979 E C 2.086 178.442 176.600 -0.406 0.000 0.985 979 E CA 1.556 57.556 56.400 -0.667 0.000 0.801 979 E CB -0.061 29.384 29.700 -0.425 0.000 0.750 979 E HN 0.547 nan 8.360 nan 0.000 0.452 980 C N 0.152 119.296 119.300 -0.261 0.000 3.019 980 C HA 0.246 4.580 4.460 -0.210 0.000 0.295 980 C C 0.778 175.682 174.990 -0.143 0.000 1.256 980 C CA -0.592 58.309 59.018 -0.194 0.000 1.706 980 C CB 0.332 27.960 27.740 -0.186 0.000 2.153 980 C HN 0.006 nan 8.230 nan 0.000 0.618 981 V N 1.541 121.379 119.914 -0.127 0.000 2.630 981 V HA 0.226 4.220 4.120 -0.210 0.000 0.305 981 V C -0.156 175.898 176.094 -0.066 0.000 1.046 981 V CA -0.460 61.793 62.300 -0.078 0.000 0.934 981 V CB 1.373 33.165 31.823 -0.051 0.000 1.003 981 V HN 0.391 nan 8.190 nan 0.000 0.451 982 Q N 5.546 125.322 119.800 -0.039 0.000 2.269 982 Q HA 0.015 4.229 4.340 -0.210 0.000 0.300 982 Q C -1.340 174.642 176.000 -0.030 0.000 1.070 982 Q CA -0.802 54.983 55.803 -0.029 0.000 0.957 982 Q CB 0.517 29.247 28.738 -0.012 0.000 1.131 982 Q HN 0.500 nan 8.270 nan 0.000 0.377 983 P HA -0.212 nan 4.420 nan 0.000 0.219 983 P C 0.352 177.629 177.300 -0.039 0.000 1.146 983 P CA 1.269 64.340 63.100 -0.049 0.000 0.808 983 P CB 0.400 32.077 31.700 -0.039 0.000 0.779 984 Q N 0.037 119.828 119.800 -0.015 0.000 2.226 984 Q HA -0.062 4.152 4.340 -0.210 0.000 0.204 984 Q C 2.252 178.271 176.000 0.032 0.000 0.975 984 Q CA 1.589 57.395 55.803 0.004 0.000 0.866 984 Q CB -1.035 27.707 28.738 0.008 0.000 0.915 984 Q HN 0.233 nan 8.270 nan 0.000 0.440 985 S N -0.207 115.518 115.700 0.042 0.000 2.561 985 S HA 0.048 4.392 4.470 -0.210 0.000 0.225 985 S C 0.508 175.234 174.600 0.211 0.000 0.977 985 S CA 0.436 58.702 58.200 0.110 0.000 0.926 985 S CB 0.238 63.492 63.200 0.090 0.000 0.769 985 S HN 0.170 nan 8.310 nan 0.000 0.533 986 L N 1.383 122.621 121.223 0.025 0.000 2.965 986 L HA 0.370 4.583 4.340 -0.210 0.000 0.254 986 L C 1.708 178.374 176.870 -0.340 0.000 1.220 986 L CA 0.156 54.831 54.840 -0.275 0.000 1.023 986 L CB -0.804 41.047 42.059 -0.346 0.000 1.355 986 L HN 0.111 nan 8.230 nan 0.000 0.545 987 Q N 0.692 120.465 119.800 -0.045 0.000 2.152 987 Q HA -0.220 3.994 4.340 -0.210 0.000 0.206 987 Q C 2.197 178.182 176.000 -0.024 0.000 0.985 987 Q CA 1.863 57.652 55.803 -0.023 0.000 0.863 987 Q CB -0.216 28.560 28.738 0.063 0.000 0.904 987 Q HN 0.647 nan 8.270 nan 0.000 0.422 988 F N -1.461 118.484 119.950 -0.008 0.000 2.202 988 F HA -0.123 4.281 4.527 -0.204 0.000 0.301 988 F C 1.996 177.813 175.800 0.029 0.000 1.082 988 F CA 0.660 58.664 58.000 0.007 0.000 1.313 988 F CB -0.841 38.160 39.000 0.002 0.000 1.024 988 F HN -0.065 nan 8.300 nan 0.000 0.495 989 I N 0.675 120.838 120.570 -0.679 0.000 2.127 989 I HA -0.299 3.745 4.170 -0.210 0.000 0.241 989 I C 2.585 178.618 176.117 -0.139 0.000 1.075 989 I CA 1.087 62.148 61.300 -0.399 0.000 1.334 989 I CB -0.553 37.109 38.000 -0.564 0.000 1.040 989 I HN 0.159 nan 8.210 nan 0.000 0.405 990 I N 0.895 121.337 120.570 -0.214 0.000 2.099 990 I HA -0.323 3.721 4.170 -0.210 0.000 0.239 990 I C 2.283 178.422 176.117 0.036 0.000 1.066 990 I CA 1.834 63.062 61.300 -0.121 0.000 1.324 990 I CB -1.512 36.415 38.000 -0.122 0.000 1.037 990 I HN 0.274 nan 8.210 nan 0.000 0.401 991 D N 1.015 121.439 120.400 0.040 0.000 2.133 991 D HA -0.172 4.341 4.640 -0.210 0.000 0.195 991 D C 2.209 178.575 176.300 0.110 0.000 0.997 991 D CA 1.689 55.735 54.000 0.077 0.000 0.840 991 D CB -0.200 40.650 40.800 0.084 0.000 0.947 991 D HN 0.376 nan 8.370 nan 0.000 0.452 992 A N -0.068 122.842 122.820 0.151 0.000 1.972 992 A HA -0.143 4.051 4.320 -0.210 0.000 0.219 992 A C 1.909 179.581 177.584 0.146 0.000 1.169 992 A CA 0.852 52.978 52.037 0.149 0.000 0.635 992 A CB -0.777 18.331 19.000 0.180 0.000 0.810 992 A HN 0.142 nan 8.150 nan 0.000 0.446 993 F N -0.116 119.814 119.950 -0.033 0.000 2.456 993 F HA 0.121 4.508 4.527 -0.233 0.000 0.298 993 F C 1.095 176.889 175.800 -0.011 0.000 1.104 993 F CA 0.665 58.645 58.000 -0.034 0.000 1.435 993 F CB -0.241 38.728 39.000 -0.051 0.000 1.078 993 F HN 0.015 nan 8.300 nan 0.000 0.546 994 K N 0.566 121.059 120.400 0.155 0.000 2.405 994 K HA 0.247 4.440 4.320 -0.210 0.000 0.276 994 K C 1.022 177.660 176.600 0.063 0.000 1.099 994 K CA 1.088 57.432 56.287 0.096 0.000 1.120 994 K CB -0.530 32.013 32.500 0.070 0.000 0.877 994 K HN 0.382 nan 8.250 nan 0.000 0.472 995 G N 3.338 112.181 108.800 0.072 0.000 2.175 995 G HA2 -0.217 3.617 3.960 -0.210 0.000 0.244 995 G HA3 -0.217 3.617 3.960 -0.210 0.000 0.244 995 G C 0.416 175.341 174.900 0.041 0.000 0.982 995 G CA 0.283 45.419 45.100 0.061 0.000 0.641 995 G HN 0.608 nan 8.290 nan 0.000 0.527 996 Q N -0.655 119.156 119.800 0.018 0.000 2.164 996 Q HA 0.333 4.546 4.340 -0.210 0.000 0.226 996 Q C 2.419 178.376 176.000 -0.073 0.000 0.813 996 Q CA 0.613 56.370 55.803 -0.076 0.000 0.978 996 Q CB 0.511 29.115 28.738 -0.223 0.000 1.149 996 Q HN 0.434 nan 8.270 nan 0.000 0.489 997 V N 1.065 121.014 119.914 0.059 0.000 2.252 997 V HA -0.275 3.719 4.120 -0.210 0.000 0.249 997 V C 2.004 178.133 176.094 0.058 0.000 1.056 997 V CA 2.281 64.652 62.300 0.117 0.000 1.022 997 V CB -0.718 31.212 31.823 0.178 0.000 0.641 997 V HN 0.287 nan 8.190 nan 0.000 0.445 998 F N 1.169 121.087 119.950 -0.054 0.000 2.102 998 F HA -0.129 4.246 4.527 -0.253 0.000 0.298 998 F C 2.298 178.025 175.800 -0.122 0.000 1.105 998 F CA 1.548 59.459 58.000 -0.150 0.000 1.239 998 F CB -0.502 38.212 39.000 -0.476 0.000 0.991 998 F HN 0.068 nan 8.300 nan 0.000 0.474 999 A N 0.507 123.278 122.820 -0.082 0.000 1.908 999 A HA -0.148 4.046 4.320 -0.210 0.000 0.218 999 A C 2.176 179.628 177.584 -0.220 0.000 1.181 999 A CA 1.997 53.950 52.037 -0.139 0.000 0.627 999 A CB -1.121 17.845 19.000 -0.057 0.000 0.818 999 A HN 0.514 nan 8.150 nan 0.000 0.445 1000 L N -0.816 120.272 121.223 -0.226 0.000 2.375 1000 L HA 0.015 4.228 4.340 -0.210 0.000 0.215 1000 L C 2.344 179.137 176.870 -0.129 0.000 1.108 1000 L CA 0.717 55.430 54.840 -0.212 0.000 0.830 1000 L CB -0.087 41.746 42.059 -0.376 0.000 0.959 1000 L HN 0.235 nan 8.230 nan 0.000 0.457 1001 S N -0.637 114.969 115.700 -0.157 0.000 2.481 1001 S HA -0.102 4.242 4.470 -0.210 0.000 0.231 1001 S C 1.829 176.336 174.600 -0.156 0.000 0.996 1001 S CA 1.538 59.663 58.200 -0.125 0.000 0.942 1001 S CB -0.224 62.910 63.200 -0.110 0.000 0.768 1001 S HN 0.600 nan 8.310 nan 0.000 0.520 1002 T N -1.044 113.346 114.554 -0.273 0.000 3.105 1002 T HA 0.136 4.359 4.350 -0.210 0.000 0.253 1002 T C 0.181 174.865 174.700 -0.025 0.000 1.047 1002 T CA -0.366 61.623 62.100 -0.186 0.000 0.944 1002 T CB -0.166 68.418 68.868 -0.472 0.000 1.016 1002 T HN 0.357 nan 8.240 nan 0.000 0.544 1003 H N 2.197 121.132 119.070 -0.226 0.000 2.458 1003 H HA 0.305 4.733 4.556 -0.214 0.000 0.330 1003 H C -1.907 173.003 175.328 -0.696 0.000 1.111 1003 H CA -2.189 53.651 56.048 -0.347 0.000 1.245 1003 H CB 2.590 32.181 29.762 -0.284 0.000 1.456 1003 H HN -0.115 nan 8.280 nan 0.000 0.488 1004 P HA -0.184 nan 4.420 nan 0.000 0.217 1004 P C 0.563 177.442 177.300 -0.702 0.000 1.148 1004 P CA 1.626 63.797 63.100 -1.547 0.000 0.834 1004 P CB 0.071 30.931 31.700 -1.400 0.000 0.783 1005 Y N -1.377 118.863 120.300 -0.101 0.000 2.559 1005 Y HA 0.267 4.690 4.550 -0.212 0.000 0.279 1005 Y C 2.903 178.775 175.900 -0.047 0.000 1.117 1005 Y CA 0.158 58.228 58.100 -0.049 0.000 1.263 1005 Y CB -0.939 37.525 38.460 0.007 0.000 1.230 1005 Y HN -0.088 nan 8.280 nan 0.000 0.528 1006 G N 0.650 109.542 108.800 0.153 0.000 2.418 1006 G HA2 -0.329 3.505 3.960 -0.210 0.000 0.217 1006 G HA3 -0.329 3.505 3.960 -0.210 0.000 0.217 1006 G C 1.716 176.623 174.900 0.012 0.000 1.158 1006 G CA 1.360 46.452 45.100 -0.015 0.000 0.771 1006 G HN 0.614 nan 8.290 nan 0.000 0.545 1007 C N 0.427 119.701 119.300 -0.044 0.000 2.413 1007 C HA 0.092 4.426 4.460 -0.210 0.000 0.277 1007 C C 2.741 177.706 174.990 -0.043 0.000 1.265 1007 C CA 0.836 59.828 59.018 -0.042 0.000 1.752 1007 C CB -0.910 26.800 27.740 -0.051 0.000 1.998 1007 C HN 0.309 nan 8.230 nan 0.000 0.489 1008 R N 1.339 121.806 120.500 -0.055 0.000 2.075 1008 R HA 0.053 4.267 4.340 -0.210 0.000 0.226 1008 R C 2.414 178.678 176.300 -0.059 0.000 1.114 1008 R CA 1.382 57.445 56.100 -0.061 0.000 0.972 1008 R CB -1.265 28.996 30.300 -0.065 0.000 0.869 1008 R HN 0.573 nan 8.270 nan 0.000 0.437 1009 V N 2.195 122.091 119.914 -0.030 0.000 2.380 1009 V HA -0.238 3.756 4.120 -0.210 0.000 0.251 1009 V C 2.479 178.536 176.094 -0.061 0.000 1.063 1009 V CA 1.506 63.795 62.300 -0.018 0.000 1.055 1009 V CB -0.491 31.387 31.823 0.092 0.000 0.657 1009 V HN 0.167 nan 8.190 nan 0.000 0.455 1010 I N -0.170 120.394 120.570 -0.009 0.000 2.286 1010 I HA -0.244 3.800 4.170 -0.210 0.000 0.248 1010 I C 2.575 178.576 176.117 -0.193 0.000 1.115 1010 I CA 1.638 62.898 61.300 -0.066 0.000 1.392 1010 I CB -1.113 36.895 38.000 0.013 0.000 1.065 1010 I HN 0.456 nan 8.210 nan 0.000 0.418 1011 Q N 0.096 119.762 119.800 -0.223 0.000 2.119 1011 Q HA -0.134 4.080 4.340 -0.210 0.000 0.201 1011 Q C 2.342 178.130 176.000 -0.353 0.000 0.972 1011 Q CA 0.973 56.509 55.803 -0.444 0.000 0.847 1011 Q CB -0.010 28.543 28.738 -0.307 0.000 0.903 1011 Q HN 0.408 nan 8.270 nan 0.000 0.433 1012 R N 0.422 120.824 120.500 -0.164 0.000 2.092 1012 R HA -0.046 4.168 4.340 -0.210 0.000 0.231 1012 R C 2.145 178.409 176.300 -0.060 0.000 1.119 1012 R CA 0.939 57.014 56.100 -0.042 0.000 0.970 1012 R CB -0.574 29.740 30.300 0.024 0.000 0.864 1012 R HN 0.342 nan 8.270 nan 0.000 0.440 1013 I N 1.108 121.582 120.570 -0.160 0.000 2.208 1013 I HA -0.280 3.764 4.170 -0.210 0.000 0.245 1013 I C 2.273 178.294 176.117 -0.161 0.000 1.097 1013 I CA 1.222 62.408 61.300 -0.191 0.000 1.363 1013 I CB -0.247 37.563 38.000 -0.317 0.000 1.051 1013 I HN 0.059 nan 8.210 nan 0.000 0.413 1014 L N 0.048 121.159 121.223 -0.187 0.000 2.131 1014 L HA -0.209 4.005 4.340 -0.210 0.000 0.210 1014 L C 2.328 179.143 176.870 -0.091 0.000 1.092 1014 L CA 1.374 56.139 54.840 -0.126 0.000 0.759 1014 L CB -0.486 41.482 42.059 -0.151 0.000 0.903 1014 L HN 0.284 nan 8.230 nan 0.000 0.435 1015 E N -1.363 118.729 120.200 -0.180 0.000 2.112 1015 E HA -0.115 4.109 4.350 -0.210 0.000 0.190 1015 E C 1.867 178.188 176.600 -0.464 0.000 0.979 1015 E CA 0.789 56.982 56.400 -0.344 0.000 0.814 1015 E CB 0.199 29.575 29.700 -0.540 0.000 0.762 1015 E HN 0.552 nan 8.360 nan 0.000 0.460 1016 H N -1.522 117.500 119.070 -0.081 0.000 2.594 1016 H HA 0.190 4.620 4.556 -0.209 0.000 0.274 1016 H C 0.612 175.889 175.328 -0.086 0.000 0.982 1016 H CA -0.134 55.864 56.048 -0.082 0.000 1.228 1016 H CB -0.179 29.527 29.762 -0.093 0.000 1.447 1016 H HN 0.098 nan 8.280 nan 0.000 0.485 1017 C N 2.995 122.296 119.300 0.001 0.000 2.652 1017 C HA 0.181 4.515 4.460 -0.210 0.000 0.412 1017 C C 1.022 175.986 174.990 -0.044 0.000 1.294 1017 C CA -0.483 58.506 59.018 -0.049 0.000 2.127 1017 C CB -0.454 27.217 27.740 -0.116 0.000 2.691 1017 C HN 0.228 nan 8.230 nan 0.000 0.615 1018 L N 6.153 127.352 121.223 -0.039 0.000 2.499 1018 L HA 0.083 4.297 4.340 -0.210 0.000 0.281 1018 L C -1.138 175.715 176.870 -0.029 0.000 1.234 1018 L CA -0.753 54.070 54.840 -0.028 0.000 0.839 1018 L CB -0.036 42.009 42.059 -0.023 0.000 1.104 1018 L HN 0.541 nan 8.230 nan 0.000 0.500 1019 P HA -0.236 nan 4.420 nan 0.000 0.218 1019 P C 0.915 178.208 177.300 -0.011 0.000 1.154 1019 P CA 1.644 64.737 63.100 -0.012 0.000 0.872 1019 P CB -0.068 31.630 31.700 -0.005 0.000 0.790 1020 D N -0.886 119.507 120.400 -0.012 0.000 2.312 1020 D HA -0.162 4.352 4.640 -0.210 0.000 0.211 1020 D C 1.496 177.785 176.300 -0.019 0.000 0.964 1020 D CA 0.975 54.969 54.000 -0.010 0.000 0.877 1020 D CB -0.513 40.283 40.800 -0.007 0.000 0.924 1020 D HN 0.326 nan 8.370 nan 0.000 0.515 1021 Q N 0.296 120.076 119.800 -0.033 0.000 2.259 1021 Q HA -0.019 4.195 4.340 -0.210 0.000 0.201 1021 Q C 2.354 178.316 176.000 -0.064 0.000 0.938 1021 Q CA 1.481 57.251 55.803 -0.055 0.000 0.872 1021 Q CB -0.086 28.606 28.738 -0.077 0.000 0.971 1021 Q HN 0.448 nan 8.270 nan 0.000 0.494 1022 T N -0.125 114.396 114.554 -0.055 0.000 2.951 1022 T HA -0.084 4.139 4.350 -0.210 0.000 0.268 1022 T C 1.844 176.528 174.700 -0.027 0.000 1.073 1022 T CA 0.462 62.530 62.100 -0.054 0.000 1.134 1022 T CB -0.212 68.632 68.868 -0.041 0.000 0.884 1022 T HN 0.065 nan 8.240 nan 0.000 0.479 1023 L N 3.360 124.577 121.223 -0.010 0.000 1.978 1023 L HA -0.018 4.196 4.340 -0.210 0.000 0.218 1023 L C -0.580 176.300 176.870 0.016 0.000 1.075 1023 L CA 2.278 57.124 54.840 0.010 0.000 0.767 1023 L CB -1.453 40.613 42.059 0.012 0.000 0.890 1023 L HN 0.159 nan 8.230 nan 0.000 0.434 1024 P HA -0.182 nan 4.420 nan 0.000 0.218 1024 P C 1.938 179.254 177.300 0.025 0.000 1.148 1024 P CA 1.559 64.672 63.100 0.022 0.000 0.822 1024 P CB -0.239 31.473 31.700 0.020 0.000 0.784 1025 I N -0.548 120.024 120.570 0.003 0.000 2.202 1025 I HA -0.143 3.901 4.170 -0.210 0.000 0.242 1025 I C 2.701 178.805 176.117 -0.021 0.000 1.091 1025 I CA 0.907 62.208 61.300 0.002 0.000 1.368 1025 I CB -1.791 36.179 38.000 -0.049 0.000 1.058 1025 I HN -0.070 nan 8.210 nan 0.000 0.410 1026 L N 0.431 121.626 121.223 -0.047 0.000 2.079 1026 L HA -0.233 3.981 4.340 -0.210 0.000 0.210 1026 L C 2.589 179.385 176.870 -0.123 0.000 1.081 1026 L CA 1.359 56.121 54.840 -0.130 0.000 0.752 1026 L CB -0.505 41.531 42.059 -0.040 0.000 0.896 1026 L HN 0.241 nan 8.230 nan 0.000 0.433 1027 E N 0.828 121.048 120.200 0.032 0.000 2.085 1027 E HA -0.257 3.966 4.350 -0.210 0.000 0.194 1027 E C 1.928 178.557 176.600 0.049 0.000 0.994 1027 E CA 1.755 58.206 56.400 0.086 0.000 0.801 1027 E CB -0.023 29.716 29.700 0.065 0.000 0.743 1027 E HN 0.468 nan 8.360 nan 0.000 0.453 1028 E N -0.177 120.050 120.200 0.045 0.000 2.158 1028 E HA -0.061 4.163 4.350 -0.210 0.000 0.191 1028 E C 2.258 178.934 176.600 0.127 0.000 0.982 1028 E CA 0.672 57.128 56.400 0.094 0.000 0.823 1028 E CB -0.072 29.729 29.700 0.168 0.000 0.766 1028 E HN 0.300 nan 8.360 nan 0.000 0.468 1029 L N 0.846 122.088 121.223 0.032 0.000 2.017 1029 L HA -0.207 4.007 4.340 -0.210 0.000 0.208 1029 L C 2.474 179.326 176.870 -0.030 0.000 1.073 1029 L CA 1.111 55.947 54.840 -0.007 0.000 0.745 1029 L CB -0.579 41.387 42.059 -0.154 0.000 0.894 1029 L HN 0.263 nan 8.230 nan 0.000 0.432 1030 H N -0.152 118.938 119.070 0.034 0.000 2.421 1030 H HA -0.171 4.438 4.556 0.089 0.000 0.298 1030 H C 2.218 177.512 175.328 -0.057 0.000 1.087 1030 H CA 1.192 57.239 56.048 -0.002 0.000 1.330 1030 H CB -0.153 29.603 29.762 -0.009 0.000 1.388 1030 H HN 0.492 nan 8.280 nan 0.000 0.526 1031 Q N -0.235 119.542 119.800 -0.038 0.000 2.297 1031 Q HA -0.078 4.135 4.340 -0.210 0.000 0.204 1031 Q C 0.625 176.358 176.000 -0.445 0.000 0.962 1031 Q CA 0.788 56.422 55.803 -0.282 0.000 0.879 1031 Q CB 0.313 28.768 28.738 -0.472 0.000 0.947 1031 Q HN 0.615 nan 8.270 nan 0.000 0.462 1032 H N -1.696 117.410 119.070 0.060 0.000 2.767 1032 H HA 0.110 4.520 4.556 -0.244 0.000 0.260 1032 H C 1.676 177.062 175.328 0.097 0.000 1.172 1032 H CA 0.743 56.825 56.048 0.056 0.000 1.048 1032 H CB 0.470 30.314 29.762 0.136 0.000 1.697 1032 H HN 0.254 nan 8.280 nan 0.000 0.606 1033 T N -0.926 113.715 114.554 0.145 0.000 2.759 1033 T HA -0.207 4.017 4.350 -0.210 0.000 0.269 1033 T C 2.027 176.780 174.700 0.087 0.000 1.042 1033 T CA 1.967 64.138 62.100 0.118 0.000 1.140 1033 T CB 0.044 68.975 68.868 0.105 0.000 0.864 1033 T HN 0.473 nan 8.240 nan 0.000 0.455 1034 E N 0.957 121.198 120.200 0.067 0.000 2.072 1034 E HA -0.113 4.110 4.350 -0.210 0.000 0.191 1034 E C 2.088 178.708 176.600 0.035 0.000 0.985 1034 E CA 1.468 57.886 56.400 0.030 0.000 0.801 1034 E CB -1.038 28.672 29.700 0.017 0.000 0.750 1034 E HN 0.832 nan 8.360 nan 0.000 0.452 1035 Q N -0.783 119.070 119.800 0.089 0.000 2.079 1035 Q HA -0.001 4.213 4.340 -0.210 0.000 0.200 1035 Q C 2.445 178.554 176.000 0.182 0.000 0.974 1035 Q CA 1.120 57.002 55.803 0.132 0.000 0.840 1035 Q CB -0.155 28.665 28.738 0.137 0.000 0.898 1035 Q HN 0.592 nan 8.270 nan 0.000 0.430 1036 L N 0.225 121.583 121.223 0.225 0.000 2.131 1036 L HA -0.169 4.044 4.340 -0.210 0.000 0.210 1036 L C 2.428 179.311 176.870 0.020 0.000 1.092 1036 L CA 0.987 55.908 54.840 0.134 0.000 0.759 1036 L CB -0.530 41.614 42.059 0.142 0.000 0.903 1036 L HN 0.268 nan 8.230 nan 0.000 0.435 1037 V N -3.328 116.586 119.914 -0.000 0.000 2.759 1037 V HA -0.217 3.777 4.120 -0.210 0.000 0.256 1037 V C 1.830 177.858 176.094 -0.109 0.000 1.080 1037 V CA 1.270 63.536 62.300 -0.056 0.000 1.101 1037 V CB -0.649 31.139 31.823 -0.058 0.000 0.698 1037 V HN 0.514 nan 8.190 nan 0.000 0.477 1038 Q N 0.542 120.250 119.800 -0.152 0.000 2.403 1038 Q HA 0.159 4.373 4.340 -0.210 0.000 0.203 1038 Q C 0.350 176.393 176.000 0.071 0.000 0.932 1038 Q CA 0.364 56.012 55.803 -0.258 0.000 0.945 1038 Q CB 0.191 28.717 28.738 -0.353 0.000 1.045 1038 Q HN 0.815 nan 8.270 nan 0.000 0.511 1039 D N 0.175 120.541 120.400 -0.056 0.000 2.264 1039 D HA -0.033 4.481 4.640 -0.210 0.000 0.249 1039 D C 1.119 177.053 176.300 -0.610 0.000 1.070 1039 D CA -0.175 53.690 54.000 -0.226 0.000 0.912 1039 D CB 0.992 41.684 40.800 -0.179 0.000 1.193 1039 D HN 0.043 nan 8.370 nan 0.000 0.427 1040 Q N 1.770 120.895 119.800 -1.125 0.000 2.291 1040 Q HA -0.191 4.022 4.340 -0.210 0.000 0.205 1040 Q C 0.543 176.020 176.000 -0.873 0.000 0.970 1040 Q CA 1.411 56.167 55.803 -1.744 0.000 0.876 1040 Q CB -0.116 27.646 28.738 -1.626 0.000 0.935 1040 Q HN 0.711 nan 8.270 nan 0.000 0.455 1041 Y N 0.007 120.151 120.300 -0.260 0.000 2.594 1041 Y HA 0.323 4.742 4.550 -0.218 0.000 0.283 1041 Y C 2.679 178.578 175.900 -0.002 0.000 1.140 1041 Y CA -0.196 57.874 58.100 -0.050 0.000 1.261 1041 Y CB -0.265 38.105 38.460 -0.149 0.000 1.358 1041 Y HN 0.165 nan 8.280 nan 0.000 0.513 1042 G N 1.759 110.571 108.800 0.019 0.000 2.505 1042 G HA2 -0.440 3.393 3.960 -0.210 0.000 0.220 1042 G HA3 -0.440 3.393 3.960 -0.210 0.000 0.220 1042 G C 1.257 176.157 174.900 -0.000 0.000 1.145 1042 G CA 1.803 46.889 45.100 -0.023 0.000 0.761 1042 G HN 0.625 nan 8.290 nan 0.000 0.571 1043 N N -0.477 118.184 118.700 -0.065 0.000 2.137 1043 N HA -0.225 4.389 4.740 -0.210 0.000 0.190 1043 N C 1.869 177.297 175.510 -0.138 0.000 1.017 1043 N CA 1.815 54.788 53.050 -0.127 0.000 0.859 1043 N CB -0.684 37.683 38.487 -0.200 0.000 1.002 1043 N HN 0.487 nan 8.380 nan 0.000 0.428 1044 Y N 0.005 120.306 120.300 0.003 0.000 2.293 1044 Y HA -0.025 4.395 4.550 -0.216 0.000 0.291 1044 Y C 2.389 178.323 175.900 0.056 0.000 1.137 1044 Y CA 0.901 59.024 58.100 0.037 0.000 1.202 1044 Y CB -0.096 38.395 38.460 0.051 0.000 0.990 1044 Y HN -0.002 nan 8.280 nan 0.000 0.537 1045 V N -0.278 119.738 119.914 0.169 0.000 2.295 1045 V HA -0.293 3.700 4.120 -0.210 0.000 0.246 1045 V C 2.145 178.292 176.094 0.089 0.000 1.049 1045 V CA 1.353 63.711 62.300 0.097 0.000 1.024 1045 V CB -0.550 31.296 31.823 0.038 0.000 0.648 1045 V HN 0.323 nan 8.190 nan 0.000 0.447 1046 I N 0.045 120.645 120.570 0.051 0.000 2.286 1046 I HA -0.227 3.817 4.170 -0.210 0.000 0.248 1046 I C 2.570 178.702 176.117 0.025 0.000 1.115 1046 I CA 1.543 62.862 61.300 0.032 0.000 1.392 1046 I CB -1.341 36.668 38.000 0.015 0.000 1.065 1046 I HN 0.450 nan 8.210 nan 0.000 0.418 1047 Q N -0.877 118.931 119.800 0.014 0.000 2.172 1047 Q HA -0.203 4.010 4.340 -0.210 0.000 0.200 1047 Q C 2.262 178.248 176.000 -0.023 0.000 0.964 1047 Q CA 0.892 56.678 55.803 -0.028 0.000 0.855 1047 Q CB -0.255 28.451 28.738 -0.053 0.000 0.918 1047 Q HN 0.556 nan 8.270 nan 0.000 0.444 1048 H N 0.518 119.586 119.070 -0.003 0.000 2.290 1048 H HA -0.128 4.299 4.556 -0.214 0.000 0.298 1048 H C 1.974 177.303 175.328 0.002 0.000 1.087 1048 H CA 1.753 57.829 56.048 0.047 0.000 1.291 1048 H CB 0.108 29.935 29.762 0.108 0.000 1.369 1048 H HN 0.065 nan 8.280 nan 0.000 0.492 1049 V N 1.504 121.518 119.914 0.166 0.000 2.287 1049 V HA -0.276 3.718 4.120 -0.210 0.000 0.248 1049 V C 3.093 179.162 176.094 -0.041 0.000 1.053 1049 V CA 1.737 64.088 62.300 0.085 0.000 1.027 1049 V CB -0.742 31.124 31.823 0.072 0.000 0.646 1049 V HN 0.304 nan 8.190 nan 0.000 0.447 1050 L N -0.269 120.899 121.223 -0.092 0.000 2.127 1050 L HA -0.211 4.003 4.340 -0.210 0.000 0.211 1050 L C 2.523 179.123 176.870 -0.450 0.000 1.089 1050 L CA 1.889 56.624 54.840 -0.176 0.000 0.757 1050 L CB -0.451 41.525 42.059 -0.138 0.000 0.899 1050 L HN 0.426 nan 8.230 nan 0.000 0.434 1051 E N -1.401 118.428 120.200 -0.618 0.000 2.250 1051 E HA -0.111 4.113 4.350 -0.210 0.000 0.192 1051 E C 1.570 177.738 176.600 -0.719 0.000 0.986 1051 E CA 0.542 56.378 56.400 -0.940 0.000 0.849 1051 E CB 0.355 29.424 29.700 -1.051 0.000 0.797 1051 E HN 0.553 nan 8.360 nan 0.000 0.482 1052 H N -1.788 117.128 119.070 -0.256 0.000 3.457 1052 H HA 0.247 4.673 4.556 -0.216 0.000 0.255 1052 H C 0.783 176.058 175.328 -0.087 0.000 1.082 1052 H CA 0.480 56.413 56.048 -0.191 0.000 1.189 1052 H CB 0.540 30.114 29.762 -0.313 0.000 1.511 1052 H HN 0.070 nan 8.280 nan 0.000 0.527 1053 G N 1.145 109.969 108.800 0.039 0.000 2.588 1053 G HA2 0.277 4.111 3.960 -0.210 0.000 0.278 1053 G HA3 0.277 4.111 3.960 -0.210 0.000 0.278 1053 G C 0.209 175.133 174.900 0.040 0.000 1.307 1053 G CA -0.613 44.521 45.100 0.057 0.000 1.016 1053 G HN 0.090 nan 8.290 nan 0.000 0.503 1054 R N 0.119 120.647 120.500 0.047 0.000 2.641 1054 R HA 0.126 4.340 4.340 -0.210 0.000 0.269 1054 R C -1.448 174.873 176.300 0.036 0.000 1.074 1054 R CA -1.159 54.964 56.100 0.038 0.000 1.133 1054 R CB 0.757 31.080 30.300 0.039 0.000 1.029 1054 R HN 0.236 nan 8.270 nan 0.000 0.488 1055 P HA -0.229 nan 4.420 nan 0.000 0.216 1055 P C 0.287 177.596 177.300 0.015 0.000 1.153 1055 P CA 1.494 64.607 63.100 0.021 0.000 0.858 1055 P CB 0.178 31.886 31.700 0.015 0.000 0.789 1056 E N -0.568 119.639 120.200 0.011 0.000 2.085 1056 E HA -0.194 4.030 4.350 -0.210 0.000 0.194 1056 E C 1.566 178.157 176.600 -0.016 0.000 0.994 1056 E CA 1.098 57.493 56.400 -0.008 0.000 0.801 1056 E CB -0.711 28.984 29.700 -0.008 0.000 0.743 1056 E HN 0.349 nan 8.360 nan 0.000 0.453 1057 D N 1.329 121.755 120.400 0.044 0.000 2.097 1057 D HA -0.108 4.405 4.640 -0.210 0.000 0.197 1057 D C 1.836 178.205 176.300 0.115 0.000 0.984 1057 D CA 1.028 55.109 54.000 0.135 0.000 0.826 1057 D CB -0.105 40.819 40.800 0.207 0.000 0.973 1057 D HN 0.139 nan 8.370 nan 0.000 0.460 1058 K N 0.748 121.188 120.400 0.067 0.000 2.020 1058 K HA -0.100 4.094 4.320 -0.210 0.000 0.212 1058 K C 2.387 179.005 176.600 0.029 0.000 1.050 1058 K CA 1.248 57.563 56.287 0.047 0.000 0.929 1058 K CB -0.191 32.330 32.500 0.035 0.000 0.714 1058 K HN -0.077 nan 8.250 nan 0.000 0.443 1059 S N 1.093 116.797 115.700 0.007 0.000 2.374 1059 S HA -0.166 4.177 4.470 -0.210 0.000 0.227 1059 S C 1.768 176.348 174.600 -0.034 0.000 1.037 1059 S CA 1.391 59.583 58.200 -0.013 0.000 1.024 1059 S CB -0.142 63.045 63.200 -0.022 0.000 0.861 1059 S HN 0.274 nan 8.310 nan 0.000 0.456 1060 K N 0.606 120.959 120.400 -0.079 0.000 2.057 1060 K HA -0.038 4.156 4.320 -0.210 0.000 0.207 1060 K C 2.034 178.615 176.600 -0.032 0.000 1.049 1060 K CA 1.246 57.455 56.287 -0.130 0.000 0.931 1060 K CB -0.408 31.851 32.500 -0.403 0.000 0.714 1060 K HN 0.367 nan 8.250 nan 0.000 0.440 1061 I N 0.620 121.213 120.570 0.038 0.000 2.179 1061 I HA -0.259 3.785 4.170 -0.210 0.000 0.242 1061 I C 2.477 178.614 176.117 0.034 0.000 1.088 1061 I CA 0.939 62.282 61.300 0.072 0.000 1.357 1061 I CB -0.369 37.688 38.000 0.094 0.000 1.051 1061 I HN 0.007 nan 8.210 nan 0.000 0.409 1062 V N 0.933 120.860 119.914 0.021 0.000 2.515 1062 V HA -0.229 3.764 4.120 -0.210 0.000 0.250 1062 V C 2.547 178.644 176.094 0.005 0.000 1.058 1062 V CA 1.993 64.302 62.300 0.014 0.000 1.064 1062 V CB -0.362 31.468 31.823 0.013 0.000 0.675 1062 V HN 0.397 nan 8.190 nan 0.000 0.461 1063 A N -0.081 122.738 122.820 -0.002 0.000 1.933 1063 A HA -0.152 4.042 4.320 -0.210 0.000 0.218 1063 A C 2.103 179.684 177.584 -0.005 0.000 1.175 1063 A CA 1.661 53.693 52.037 -0.008 0.000 0.628 1063 A CB -0.496 18.492 19.000 -0.021 0.000 0.814 1063 A HN 0.667 nan 8.150 nan 0.000 0.444 1064 E N -0.185 120.017 120.200 0.002 0.000 2.072 1064 E HA -0.154 4.070 4.350 -0.210 0.000 0.191 1064 E C 1.875 178.479 176.600 0.005 0.000 0.985 1064 E CA 1.017 57.420 56.400 0.007 0.000 0.801 1064 E CB -0.492 29.221 29.700 0.022 0.000 0.750 1064 E HN 0.558 nan 8.360 nan 0.000 0.452 1065 I N 0.968 121.542 120.570 0.007 0.000 2.179 1065 I HA -0.157 3.887 4.170 -0.210 0.000 0.242 1065 I C 1.532 177.650 176.117 0.002 0.000 1.088 1065 I CA 0.633 61.935 61.300 0.003 0.000 1.357 1065 I CB -0.491 37.512 38.000 0.005 0.000 1.051 1065 I HN -0.079 nan 8.210 nan 0.000 0.409 1066 R N 1.222 121.723 120.500 0.002 0.000 2.522 1066 R HA 0.165 4.379 4.340 -0.210 0.000 0.284 1066 R C 1.022 177.323 176.300 0.000 0.000 1.032 1066 R CA 1.025 57.125 56.100 0.001 0.000 1.049 1066 R CB -0.295 30.004 30.300 -0.001 0.000 0.956 1066 R HN 0.585 nan 8.270 nan 0.000 0.422 1067 G N 3.824 112.625 108.800 0.001 0.000 2.195 1067 G HA2 -0.245 3.589 3.960 -0.210 0.000 0.246 1067 G HA3 -0.245 3.589 3.960 -0.210 0.000 0.246 1067 G C 0.393 175.295 174.900 0.003 0.000 0.984 1067 G CA 0.274 45.376 45.100 0.002 0.000 0.633 1067 G HN 0.671 nan 8.290 nan 0.000 0.525 1068 N N -0.357 118.344 118.700 0.003 0.000 2.143 1068 N HA 0.193 4.807 4.740 -0.210 0.000 0.229 1068 N C 1.822 177.334 175.510 0.005 0.000 1.294 1068 N CA 0.610 53.662 53.050 0.003 0.000 0.883 1068 N CB 0.963 39.449 38.487 -0.001 0.000 1.148 1068 N HN 0.219 nan 8.380 nan 0.000 0.511 1069 V N 1.172 121.089 119.914 0.005 0.000 2.332 1069 V HA -0.224 3.770 4.120 -0.210 0.000 0.248 1069 V C 2.364 178.464 176.094 0.011 0.000 1.055 1069 V CA 1.430 63.734 62.300 0.007 0.000 1.038 1069 V CB -0.291 31.535 31.823 0.005 0.000 0.651 1069 V HN 0.222 nan 8.190 nan 0.000 0.450 1070 L N 0.859 122.088 121.223 0.011 0.000 2.005 1070 L HA -0.108 4.106 4.340 -0.210 0.000 0.207 1070 L C 2.542 179.424 176.870 0.020 0.000 1.072 1070 L CA 2.555 57.401 54.840 0.011 0.000 0.744 1070 L CB -0.626 41.439 42.059 0.011 0.000 0.895 1070 L HN 0.314 nan 8.230 nan 0.000 0.433 1071 V N -2.512 117.417 119.914 0.024 0.000 2.307 1071 V HA -0.221 3.773 4.120 -0.210 0.000 0.245 1071 V C 2.398 178.526 176.094 0.058 0.000 1.045 1071 V CA 1.856 64.180 62.300 0.040 0.000 1.024 1071 V CB -1.082 30.763 31.823 0.038 0.000 0.651 1071 V HN 0.449 nan 8.190 nan 0.000 0.449 1072 L N 0.679 121.921 121.223 0.033 0.000 2.141 1072 L HA -0.095 4.119 4.340 -0.210 0.000 0.209 1072 L C 2.853 179.753 176.870 0.050 0.000 1.094 1072 L CA 1.723 56.575 54.840 0.021 0.000 0.763 1072 L CB -0.708 41.340 42.059 -0.018 0.000 0.908 1072 L HN 0.365 nan 8.230 nan 0.000 0.437 1073 S N -0.442 115.284 115.700 0.044 0.000 2.419 1073 S HA -0.214 4.129 4.470 -0.210 0.000 0.235 1073 S C 1.708 176.363 174.600 0.092 0.000 1.019 1073 S CA 1.182 59.414 58.200 0.054 0.000 0.982 1073 S CB -0.167 63.053 63.200 0.033 0.000 0.789 1073 S HN 0.516 nan 8.310 nan 0.000 0.490 1074 Q N -0.193 119.667 119.800 0.100 0.000 2.360 1074 Q HA 0.106 4.320 4.340 -0.210 0.000 0.202 1074 Q C 0.201 176.337 176.000 0.228 0.000 0.915 1074 Q CA 0.139 56.021 55.803 0.131 0.000 0.943 1074 Q CB 0.245 29.019 28.738 0.060 0.000 1.064 1074 Q HN 0.485 nan 8.270 nan 0.000 0.511 1075 H N 1.025 120.122 119.070 0.044 0.000 2.488 1075 H HA 0.118 4.551 4.556 -0.204 0.000 0.322 1075 H C 0.639 175.745 175.328 -0.370 0.000 1.078 1075 H CA 0.030 56.034 56.048 -0.074 0.000 1.260 1075 H CB 1.283 31.014 29.762 -0.051 0.000 1.425 1075 H HN -0.017 nan 8.280 nan 0.000 0.471 1076 K N 3.459 123.297 120.400 -0.936 0.000 2.107 1076 K HA -0.193 4.000 4.320 -0.210 0.000 0.211 1076 K C 0.878 176.934 176.600 -0.906 0.000 1.049 1076 K CA 1.944 57.257 56.287 -1.623 0.000 0.927 1076 K CB 0.046 31.568 32.500 -1.630 0.000 0.714 1076 K HN 0.498 nan 8.250 nan 0.000 0.452 1077 F N -0.560 119.332 119.950 -0.097 0.000 2.243 1077 F HA 0.127 4.530 4.527 -0.207 0.000 0.287 1077 F C 2.395 178.139 175.800 -0.093 0.000 1.067 1077 F CA 0.331 58.286 58.000 -0.076 0.000 1.304 1077 F CB -0.167 38.833 39.000 -0.001 0.000 1.087 1077 F HN 0.054 nan 8.300 nan 0.000 0.513 1078 A N 0.071 122.980 122.820 0.149 0.000 2.119 1078 A HA -0.114 4.079 4.320 -0.210 0.000 0.217 1078 A C 2.190 179.758 177.584 -0.028 0.000 1.153 1078 A CA 1.383 53.397 52.037 -0.039 0.000 0.692 1078 A CB -1.011 17.878 19.000 -0.185 0.000 0.799 1078 A HN 0.399 nan 8.150 nan 0.000 0.458 1079 S N 0.843 116.532 115.700 -0.018 0.000 2.399 1079 S HA -0.222 4.122 4.470 -0.210 0.000 0.231 1079 S C 1.466 176.042 174.600 -0.039 0.000 1.022 1079 S CA 1.618 59.809 58.200 -0.015 0.000 0.983 1079 S CB -0.766 62.435 63.200 0.001 0.000 0.803 1079 S HN 0.670 nan 8.310 nan 0.000 0.480 1080 N N 1.328 119.977 118.700 -0.084 0.000 2.270 1080 N HA 0.038 4.651 4.740 -0.210 0.000 0.181 1080 N C 1.530 176.996 175.510 -0.074 0.000 1.016 1080 N CA 1.126 54.118 53.050 -0.097 0.000 0.870 1080 N CB -0.368 38.027 38.487 -0.154 0.000 0.979 1080 N HN 0.298 nan 8.380 nan 0.000 0.431 1081 V N 0.781 120.652 119.914 -0.072 0.000 2.515 1081 V HA -0.155 3.839 4.120 -0.210 0.000 0.250 1081 V C 2.364 178.447 176.094 -0.019 0.000 1.058 1081 V CA 1.393 63.663 62.300 -0.051 0.000 1.064 1081 V CB -0.752 31.038 31.823 -0.054 0.000 0.675 1081 V HN 0.346 nan 8.190 nan 0.000 0.461 1082 V N -1.031 118.876 119.914 -0.012 0.000 2.515 1082 V HA -0.199 3.795 4.120 -0.210 0.000 0.250 1082 V C 2.135 178.236 176.094 0.013 0.000 1.058 1082 V CA 1.951 64.253 62.300 0.003 0.000 1.064 1082 V CB -0.721 31.105 31.823 0.006 0.000 0.675 1082 V HN 0.594 nan 8.190 nan 0.000 0.461 1083 E N 0.637 120.845 120.200 0.013 0.000 2.051 1083 E HA -0.260 3.964 4.350 -0.210 0.000 0.192 1083 E C 2.206 178.829 176.600 0.038 0.000 0.991 1083 E CA 1.651 58.065 56.400 0.024 0.000 0.799 1083 E CB -0.227 29.486 29.700 0.022 0.000 0.748 1083 E HN 0.548 nan 8.360 nan 0.000 0.449 1084 K N 0.831 121.255 120.400 0.040 0.000 2.103 1084 K HA -0.125 4.069 4.320 -0.210 0.000 0.207 1084 K C 1.997 178.673 176.600 0.126 0.000 1.048 1084 K CA 1.180 57.525 56.287 0.098 0.000 0.930 1084 K CB -0.396 32.121 32.500 0.027 0.000 0.716 1084 K HN 0.122 nan 8.250 nan 0.000 0.444 1085 C N -0.893 118.443 119.300 0.061 0.000 2.446 1085 C HA -0.028 4.306 4.460 -0.210 0.000 0.277 1085 C C 2.473 177.490 174.990 0.045 0.000 1.275 1085 C CA 0.605 59.655 59.018 0.053 0.000 1.727 1085 C CB -0.603 27.153 27.740 0.027 0.000 2.010 1085 C HN 0.277 nan 8.230 nan 0.000 0.486 1086 V N 0.757 120.688 119.914 0.028 0.000 2.469 1086 V HA -0.227 3.767 4.120 -0.210 0.000 0.251 1086 V C 2.438 178.523 176.094 -0.014 0.000 1.064 1086 V CA 2.548 64.852 62.300 0.007 0.000 1.066 1086 V CB -0.849 30.977 31.823 0.006 0.000 0.667 1086 V HN 0.655 nan 8.190 nan 0.000 0.461 1087 T N -1.657 112.888 114.554 -0.014 0.000 2.852 1087 T HA -0.053 4.171 4.350 -0.210 0.000 0.256 1087 T C 1.524 176.075 174.700 -0.250 0.000 1.038 1087 T CA 1.008 63.021 62.100 -0.145 0.000 1.141 1087 T CB -0.207 68.554 68.868 -0.178 0.000 0.869 1087 T HN 0.582 nan 8.240 nan 0.000 0.439 1088 H N 0.392 119.445 119.070 -0.028 0.000 2.551 1088 H HA 0.566 4.999 4.556 -0.205 0.000 0.271 1088 H C 0.896 176.211 175.328 -0.022 0.000 0.984 1088 H CA -0.280 55.749 56.048 -0.032 0.000 1.164 1088 H CB 0.134 29.866 29.762 -0.049 0.000 1.437 1088 H HN 0.274 nan 8.280 nan 0.000 0.550 1089 A N 1.898 124.755 122.820 0.061 0.000 2.351 1089 A HA 0.255 4.449 4.320 -0.210 0.000 0.257 1089 A C 0.892 178.484 177.584 0.013 0.000 1.087 1089 A CA -0.255 51.803 52.037 0.034 0.000 0.798 1089 A CB 0.304 19.317 19.000 0.021 0.000 1.033 1089 A HN 0.387 nan 8.150 nan 0.000 0.488 1090 S N 1.276 116.983 115.700 0.011 0.000 2.566 1090 S HA 0.026 4.370 4.470 -0.210 0.000 0.280 1090 S C 1.371 175.968 174.600 -0.005 0.000 1.343 1090 S CA 0.371 58.572 58.200 0.002 0.000 1.036 1090 S CB 0.356 63.557 63.200 0.002 0.000 0.866 1090 S HN 0.882 nan 8.310 nan 0.000 0.526 1091 R N 1.290 121.784 120.500 -0.009 0.000 2.133 1091 R HA -0.163 4.051 4.340 -0.210 0.000 0.247 1091 R C 1.657 177.950 176.300 -0.011 0.000 1.151 1091 R CA 2.058 58.150 56.100 -0.013 0.000 0.971 1091 R CB -2.152 28.141 30.300 -0.012 0.000 0.866 1091 R HN 0.737 nan 8.270 nan 0.000 0.447 1092 T N 0.735 115.284 114.554 -0.008 0.000 2.812 1092 T HA -0.071 4.153 4.350 -0.210 0.000 0.264 1092 T C 1.584 176.280 174.700 -0.006 0.000 1.042 1092 T CA 1.484 63.579 62.100 -0.007 0.000 1.140 1092 T CB -0.088 68.776 68.868 -0.006 0.000 0.870 1092 T HN 0.431 nan 8.240 nan 0.000 0.445 1093 E N 0.999 121.196 120.200 -0.005 0.000 2.047 1093 E HA -0.138 4.086 4.350 -0.210 0.000 0.191 1093 E C 2.386 178.984 176.600 -0.004 0.000 0.987 1093 E CA 0.929 57.327 56.400 -0.003 0.000 0.799 1093 E CB -0.131 29.570 29.700 0.002 0.000 0.752 1093 E HN 0.390 nan 8.360 nan 0.000 0.449 1094 R N 1.082 121.579 120.500 -0.006 0.000 2.096 1094 R HA -0.200 4.014 4.340 -0.210 0.000 0.240 1094 R C 2.167 178.460 176.300 -0.013 0.000 1.139 1094 R CA 1.812 57.905 56.100 -0.010 0.000 0.952 1094 R CB -0.398 29.892 30.300 -0.017 0.000 0.854 1094 R HN 0.146 nan 8.270 nan 0.000 0.436 1095 A N 0.312 123.124 122.820 -0.013 0.000 1.933 1095 A HA -0.072 4.122 4.320 -0.210 0.000 0.218 1095 A C 2.337 179.914 177.584 -0.011 0.000 1.175 1095 A CA 1.648 53.676 52.037 -0.014 0.000 0.628 1095 A CB -0.494 18.498 19.000 -0.013 0.000 0.814 1095 A HN 0.246 nan 8.150 nan 0.000 0.444 1096 V N 0.000 119.909 119.914 -0.008 0.000 2.427 1096 V HA -0.223 3.771 4.120 -0.210 0.000 0.248 1096 V C 2.522 178.613 176.094 -0.005 0.000 1.051 1096 V CA 1.755 64.052 62.300 -0.006 0.000 1.048 1096 V CB -0.717 31.103 31.823 -0.005 0.000 0.666 1096 V HN 0.557 nan 8.190 nan 0.000 0.456 1097 L N -0.710 120.510 121.223 -0.005 0.000 2.056 1097 L HA -0.158 4.056 4.340 -0.210 0.000 0.207 1097 L C 2.349 179.215 176.870 -0.006 0.000 1.078 1097 L CA 1.652 56.490 54.840 -0.003 0.000 0.749 1097 L CB -0.416 41.642 42.059 -0.001 0.000 0.901 1097 L HN 0.269 nan 8.230 nan 0.000 0.433 1098 I N -0.261 120.303 120.570 -0.010 0.000 2.252 1098 I HA -0.303 3.741 4.170 -0.210 0.000 0.245 1098 I C 2.020 178.130 176.117 -0.011 0.000 1.102 1098 I CA 1.385 62.676 61.300 -0.014 0.000 1.385 1098 I CB -0.304 37.683 38.000 -0.023 0.000 1.064 1098 I HN 0.226 nan 8.210 nan 0.000 0.414 1099 D N 0.613 121.007 120.400 -0.009 0.000 2.149 1099 D HA -0.256 4.258 4.640 -0.210 0.000 0.198 1099 D C 2.116 178.415 176.300 -0.001 0.000 0.990 1099 D CA 1.202 55.199 54.000 -0.005 0.000 0.839 1099 D CB 0.054 40.852 40.800 -0.004 0.000 0.948 1099 D HN 0.321 nan 8.370 nan 0.000 0.460 1100 E N -0.285 119.914 120.200 -0.001 0.000 2.051 1100 E HA -0.192 4.032 4.350 -0.210 0.000 0.192 1100 E C 2.176 178.777 176.600 0.002 0.000 0.991 1100 E CA 1.769 58.170 56.400 0.001 0.000 0.799 1100 E CB 0.035 29.735 29.700 0.001 0.000 0.748 1100 E HN 0.300 nan 8.360 nan 0.000 0.449 1101 V N -0.781 119.133 119.914 -0.001 0.000 2.548 1101 V HA -0.181 3.813 4.120 -0.210 0.000 0.249 1101 V C 2.318 178.411 176.094 -0.002 0.000 1.055 1101 V CA 1.481 63.780 62.300 -0.002 0.000 1.065 1101 V CB -0.791 31.027 31.823 -0.008 0.000 0.681 1101 V HN 0.405 nan 8.190 nan 0.000 0.462 1102 C N 1.166 120.464 119.300 -0.003 0.000 2.435 1102 C HA -0.047 4.287 4.460 -0.210 0.000 0.279 1102 C C 2.733 177.729 174.990 0.010 0.000 1.321 1102 C CA 1.775 60.794 59.018 0.001 0.000 1.752 1102 C CB -1.314 26.427 27.740 0.001 0.000 1.959 1102 C HN 0.717 nan 8.230 nan 0.000 0.500 1103 T N -0.746 113.815 114.554 0.011 0.000 3.001 1103 T HA 0.207 4.430 4.350 -0.210 0.000 0.251 1103 T C 0.586 175.297 174.700 0.019 0.000 1.040 1103 T CA 0.107 62.216 62.100 0.015 0.000 0.985 1103 T CB 0.009 68.884 68.868 0.012 0.000 1.011 1103 T HN 0.380 nan 8.240 nan 0.000 0.509 1104 M N 2.404 122.015 119.600 0.018 0.000 2.233 1104 M HA 0.223 4.577 4.480 -0.210 0.000 0.350 1104 M C -0.580 175.739 176.300 0.032 0.000 1.176 1104 M CA 0.363 55.676 55.300 0.021 0.000 1.150 1104 M CB 0.414 33.024 32.600 0.017 0.000 1.530 1104 M HN -0.040 nan 8.290 nan 0.000 0.459 1105 N N 1.895 120.617 118.700 0.037 0.000 2.696 1105 N HA 0.120 4.734 4.740 -0.210 0.000 0.246 1105 N C -1.304 174.237 175.510 0.051 0.000 1.057 1105 N CA -0.394 52.687 53.050 0.052 0.000 0.867 1105 N CB 0.705 39.222 38.487 0.050 0.000 1.141 1105 N HN 0.444 nan 8.380 nan 0.000 0.517 1106 D N 2.574 123.010 120.400 0.060 0.000 2.662 1106 D HA 0.245 4.759 4.640 -0.210 0.000 0.228 1106 D C 1.226 177.560 176.300 0.057 0.000 1.093 1106 D CA 0.901 54.933 54.000 0.053 0.000 1.075 1106 D CB -0.533 40.296 40.800 0.049 0.000 1.122 1106 D HN 0.699 nan 8.370 nan 0.000 0.475 1107 G N 2.977 111.803 108.800 0.044 0.000 2.527 1107 G HA2 -0.335 3.498 3.960 -0.210 0.000 0.262 1107 G HA3 -0.335 3.498 3.960 -0.210 0.000 0.262 1107 G C -0.882 174.039 174.900 0.036 0.000 1.153 1107 G CA -0.089 45.031 45.100 0.034 0.000 0.954 1107 G HN 0.453 nan 8.290 nan 0.000 0.552 1108 P HA 0.077 nan 4.420 nan 0.000 0.214 1108 P C 0.879 178.171 177.300 -0.013 0.000 1.163 1108 P CA 1.796 64.869 63.100 -0.046 0.000 0.883 1108 P CB -0.109 31.528 31.700 -0.104 0.000 0.788 1109 H N -2.592 116.525 119.070 0.078 0.000 2.812 1109 H HA 0.398 4.828 4.556 -0.211 0.000 0.355 1109 H C 0.002 175.394 175.328 0.107 0.000 1.207 1109 H CA -1.231 54.873 56.048 0.093 0.000 1.217 1109 H CB 1.548 31.381 29.762 0.118 0.000 1.874 1109 H HN -0.164 nan 8.280 nan 0.000 0.581 1110 S N -0.060 115.781 115.700 0.235 0.000 2.559 1110 S HA 0.003 4.347 4.470 -0.210 0.000 0.282 1110 S C 1.338 176.000 174.600 0.103 0.000 1.336 1110 S CA 0.229 58.499 58.200 0.116 0.000 1.037 1110 S CB 0.488 63.711 63.200 0.039 0.000 0.853 1110 S HN 0.701 nan 8.310 nan 0.000 0.523 1111 A N 3.915 126.768 122.820 0.055 0.000 1.972 1111 A HA -0.068 4.126 4.320 -0.210 0.000 0.219 1111 A C 1.984 179.568 177.584 -0.001 0.000 1.169 1111 A CA 1.503 53.556 52.037 0.028 0.000 0.635 1111 A CB -0.705 18.306 19.000 0.018 0.000 0.810 1111 A HN 0.807 nan 8.150 nan 0.000 0.446 1112 L N -1.524 119.691 121.223 -0.013 0.000 2.012 1112 L HA -0.189 4.024 4.340 -0.210 0.000 0.210 1112 L C 2.286 179.110 176.870 -0.076 0.000 1.073 1112 L CA 2.374 57.184 54.840 -0.050 0.000 0.748 1112 L CB -0.936 41.082 42.059 -0.068 0.000 0.891 1112 L HN 0.537 nan 8.230 nan 0.000 0.431 1113 Y N 0.226 120.376 120.300 -0.250 0.000 2.128 1113 Y HA -0.273 4.151 4.550 -0.210 0.000 0.284 1113 Y C 2.527 178.323 175.900 -0.175 0.000 1.154 1113 Y CA 2.267 60.182 58.100 -0.308 0.000 1.149 1113 Y CB -0.989 37.276 38.460 -0.325 0.000 0.976 1113 Y HN 0.244 nan 8.280 nan 0.000 0.505 1114 T N 0.836 115.279 114.554 -0.185 0.000 2.699 1114 T HA -0.294 3.930 4.350 -0.210 0.000 0.268 1114 T C 1.977 176.545 174.700 -0.220 0.000 1.036 1114 T CA 2.264 64.228 62.100 -0.227 0.000 1.147 1114 T CB -0.373 68.448 68.868 -0.080 0.000 0.862 1114 T HN 0.369 nan 8.240 nan 0.000 0.446 1115 M N -0.027 119.484 119.600 -0.148 0.000 2.254 1115 M HA 0.117 4.471 4.480 -0.210 0.000 0.265 1115 M C 2.313 178.532 176.300 -0.135 0.000 1.066 1115 M CA 1.256 56.489 55.300 -0.112 0.000 1.123 1115 M CB -0.345 32.218 32.600 -0.063 0.000 1.388 1115 M HN 0.216 nan 8.290 nan 0.000 0.425 1116 M N 0.362 119.862 119.600 -0.166 0.000 2.374 1116 M HA -0.139 4.215 4.480 -0.210 0.000 0.264 1116 M C 1.562 177.779 176.300 -0.139 0.000 1.067 1116 M CA 1.282 56.502 55.300 -0.134 0.000 1.103 1116 M CB -0.274 32.258 32.600 -0.113 0.000 1.402 1116 M HN 0.229 nan 8.290 nan 0.000 0.444 1117 K N -0.873 119.377 120.400 -0.250 0.000 2.358 1117 K HA 0.189 4.383 4.320 -0.210 0.000 0.197 1117 K C -0.234 176.298 176.600 -0.113 0.000 1.025 1117 K CA -0.064 56.106 56.287 -0.195 0.000 1.104 1117 K CB 0.181 32.375 32.500 -0.510 0.000 0.855 1117 K HN 0.047 nan 8.250 nan 0.000 0.531 1118 D N 2.417 122.703 120.400 -0.190 0.000 2.283 1118 D HA -0.029 4.484 4.640 -0.210 0.000 0.248 1118 D C 1.229 177.208 176.300 -0.536 0.000 1.072 1118 D CA -0.345 53.489 54.000 -0.276 0.000 0.929 1118 D CB 1.452 42.128 40.800 -0.207 0.000 1.182 1118 D HN 0.218 nan 8.370 nan 0.000 0.433 1119 Q N 1.321 120.569 119.800 -0.920 0.000 2.230 1119 Q HA -0.149 4.065 4.340 -0.210 0.000 0.202 1119 Q C 0.711 176.214 176.000 -0.828 0.000 0.963 1119 Q CA 1.362 56.239 55.803 -1.543 0.000 0.866 1119 Q CB -0.118 27.729 28.738 -1.485 0.000 0.931 1119 Q HN 0.698 nan 8.270 nan 0.000 0.452 1120 Y N -0.299 119.867 120.300 -0.222 0.000 2.539 1120 Y HA 0.408 4.834 4.550 -0.206 0.000 0.284 1120 Y C 2.579 178.508 175.900 0.048 0.000 1.134 1120 Y CA -0.105 57.982 58.100 -0.021 0.000 1.251 1120 Y CB 0.160 38.565 38.460 -0.093 0.000 1.260 1120 Y HN 0.182 nan 8.280 nan 0.000 0.528 1121 A N 1.503 124.371 122.820 0.080 0.000 2.015 1121 A HA -0.235 3.958 4.320 -0.210 0.000 0.219 1121 A C 1.772 179.362 177.584 0.010 0.000 1.163 1121 A CA 1.880 53.944 52.037 0.046 0.000 0.646 1121 A CB -1.143 17.852 19.000 -0.009 0.000 0.806 1121 A HN 0.721 nan 8.150 nan 0.000 0.448 1122 N N -1.197 117.463 118.700 -0.066 0.000 2.094 1122 N HA -0.286 4.327 4.740 -0.210 0.000 0.191 1122 N C 1.443 176.887 175.510 -0.110 0.000 1.023 1122 N CA 2.211 55.194 53.050 -0.111 0.000 0.857 1122 N CB -0.825 37.572 38.487 -0.150 0.000 1.013 1122 N HN 0.545 nan 8.380 nan 0.000 0.426 1123 Y N 0.420 120.707 120.300 -0.021 0.000 2.128 1123 Y HA -0.163 4.261 4.550 -0.209 0.000 0.284 1123 Y C 2.592 178.491 175.900 -0.001 0.000 1.154 1123 Y CA 1.414 59.510 58.100 -0.007 0.000 1.149 1123 Y CB -0.532 37.925 38.460 -0.005 0.000 0.976 1123 Y HN -0.022 nan 8.280 nan 0.000 0.505 1124 V N -0.799 119.214 119.914 0.164 0.000 2.252 1124 V HA -0.319 3.675 4.120 -0.210 0.000 0.249 1124 V C 2.239 178.357 176.094 0.041 0.000 1.056 1124 V CA 1.846 64.196 62.300 0.083 0.000 1.022 1124 V CB -1.040 30.818 31.823 0.058 0.000 0.641 1124 V HN 0.268 nan 8.190 nan 0.000 0.445 1125 V N -0.409 119.516 119.914 0.018 0.000 2.332 1125 V HA -0.353 3.641 4.120 -0.210 0.000 0.248 1125 V C 2.490 178.581 176.094 -0.005 0.000 1.055 1125 V CA 2.257 64.552 62.300 -0.008 0.000 1.038 1125 V CB -0.785 31.022 31.823 -0.026 0.000 0.651 1125 V HN 0.612 nan 8.190 nan 0.000 0.450 1126 Q N -0.379 119.426 119.800 0.010 0.000 2.084 1126 Q HA -0.261 3.953 4.340 -0.210 0.000 0.202 1126 Q C 2.353 178.377 176.000 0.039 0.000 0.978 1126 Q CA 1.678 57.496 55.803 0.025 0.000 0.844 1126 Q CB -0.270 28.487 28.738 0.032 0.000 0.898 1126 Q HN 0.428 nan 8.270 nan 0.000 0.426 1127 K N 1.174 121.606 120.400 0.055 0.000 2.074 1127 K HA -0.136 4.057 4.320 -0.210 0.000 0.209 1127 K C 1.806 178.412 176.600 0.010 0.000 1.048 1127 K CA 1.643 57.956 56.287 0.045 0.000 0.926 1127 K CB -0.171 32.361 32.500 0.053 0.000 0.713 1127 K HN 0.163 nan 8.250 nan 0.000 0.444 1128 M N -0.407 119.191 119.600 -0.004 0.000 2.279 1128 M HA -0.090 4.264 4.480 -0.210 0.000 0.264 1128 M C 1.959 178.223 176.300 -0.061 0.000 1.062 1128 M CA 1.314 56.597 55.300 -0.028 0.000 1.099 1128 M CB -0.237 32.347 32.600 -0.027 0.000 1.394 1128 M HN 0.090 nan 8.290 nan 0.000 0.426 1129 I N -0.022 120.503 120.570 -0.075 0.000 2.315 1129 I HA -0.256 3.787 4.170 -0.210 0.000 0.248 1129 I C 1.649 177.654 176.117 -0.188 0.000 1.117 1129 I CA 0.995 62.194 61.300 -0.168 0.000 1.404 1129 I CB -0.393 37.508 38.000 -0.165 0.000 1.071 1129 I HN 0.231 nan 8.210 nan 0.000 0.419 1130 D N -0.022 120.357 120.400 -0.034 0.000 2.277 1130 D HA -0.068 4.445 4.640 -0.210 0.000 0.208 1130 D C 2.026 178.338 176.300 0.020 0.000 0.962 1130 D CA 1.223 55.258 54.000 0.059 0.000 0.865 1130 D CB 0.363 41.224 40.800 0.102 0.000 0.939 1130 D HN 0.362 nan 8.370 nan 0.000 0.510 1131 V N -2.272 117.630 119.914 -0.020 0.000 3.635 1131 V HA 0.479 4.473 4.120 -0.210 0.000 0.266 1131 V C 0.964 177.034 176.094 -0.041 0.000 1.316 1131 V CA -0.056 62.228 62.300 -0.026 0.000 1.060 1131 V CB -0.172 31.631 31.823 -0.034 0.000 0.820 1131 V HN -0.011 nan 8.190 nan 0.000 0.447 1132 A N 2.048 124.831 122.820 -0.060 0.000 2.531 1132 A HA 0.288 4.482 4.320 -0.210 0.000 0.236 1132 A C 0.556 178.106 177.584 -0.057 0.000 1.062 1132 A CA 0.494 52.493 52.037 -0.063 0.000 0.760 1132 A CB -0.170 18.779 19.000 -0.085 0.000 0.995 1132 A HN 0.863 nan 8.150 nan 0.000 0.501 1133 E N 3.000 123.174 120.200 -0.042 0.000 2.437 1133 E HA 0.058 4.282 4.350 -0.210 0.000 0.263 1133 E C -1.804 174.769 176.600 -0.044 0.000 1.030 1133 E CA -0.638 55.742 56.400 -0.033 0.000 0.934 1133 E CB 0.318 30.003 29.700 -0.024 0.000 0.943 1133 E HN 0.400 nan 8.360 nan 0.000 0.444 1134 P HA -0.197 nan 4.420 nan 0.000 0.217 1134 P C 1.122 178.397 177.300 -0.041 0.000 1.151 1134 P CA 2.045 65.124 63.100 -0.036 0.000 0.849 1134 P CB -0.033 31.662 31.700 -0.007 0.000 0.787 1135 G N -0.558 108.225 108.800 -0.030 0.000 2.404 1135 G HA2 -0.284 3.550 3.960 -0.210 0.000 0.215 1135 G HA3 -0.284 3.550 3.960 -0.210 0.000 0.215 1135 G C 1.673 176.554 174.900 -0.033 0.000 1.174 1135 G CA 0.600 45.684 45.100 -0.027 0.000 0.780 1135 G HN 0.308 nan 8.290 nan 0.000 0.537 1136 Q N -0.090 119.687 119.800 -0.037 0.000 2.119 1136 Q HA -0.044 4.169 4.340 -0.210 0.000 0.201 1136 Q C 2.581 178.545 176.000 -0.060 0.000 0.972 1136 Q CA 0.917 56.697 55.803 -0.039 0.000 0.847 1136 Q CB -0.135 28.581 28.738 -0.036 0.000 0.903 1136 Q HN 0.501 nan 8.270 nan 0.000 0.433 1137 R N 0.623 121.067 120.500 -0.094 0.000 2.096 1137 R HA -0.199 4.014 4.340 -0.210 0.000 0.240 1137 R C 1.950 178.170 176.300 -0.134 0.000 1.139 1137 R CA 1.918 57.924 56.100 -0.156 0.000 0.952 1137 R CB -0.002 30.154 30.300 -0.240 0.000 0.854 1137 R HN 0.143 nan 8.270 nan 0.000 0.436 1138 K N 0.305 120.653 120.400 -0.087 0.000 1.991 1138 K HA -0.158 4.036 4.320 -0.210 0.000 0.212 1138 K C 2.211 178.820 176.600 0.015 0.000 1.049 1138 K CA 2.066 58.332 56.287 -0.036 0.000 0.932 1138 K CB -0.340 32.148 32.500 -0.019 0.000 0.717 1138 K HN 0.199 nan 8.250 nan 0.000 0.441 1139 I N 0.971 121.546 120.570 0.009 0.000 2.113 1139 I HA -0.371 3.673 4.170 -0.210 0.000 0.242 1139 I C 2.310 178.463 176.117 0.059 0.000 1.064 1139 I CA 1.452 62.778 61.300 0.043 0.000 1.320 1139 I CB -0.553 37.457 38.000 0.016 0.000 1.028 1139 I HN -0.014 nan 8.210 nan 0.000 0.406 1140 V N 0.435 120.352 119.914 0.005 0.000 2.255 1140 V HA -0.357 3.636 4.120 -0.210 0.000 0.247 1140 V C 2.456 178.545 176.094 -0.009 0.000 1.051 1140 V CA 2.243 64.534 62.300 -0.014 0.000 1.018 1140 V CB -0.620 31.171 31.823 -0.055 0.000 0.641 1140 V HN 0.397 nan 8.190 nan 0.000 0.445 1141 M N -0.843 118.741 119.600 -0.027 0.000 2.080 1141 M HA -0.229 4.124 4.480 -0.210 0.000 0.260 1141 M C 2.382 178.731 176.300 0.082 0.000 1.068 1141 M CA 2.247 57.533 55.300 -0.024 0.000 1.109 1141 M CB -0.817 31.716 32.600 -0.112 0.000 1.342 1141 M HN 0.468 nan 8.290 nan 0.000 0.405 1142 H N 0.449 119.542 119.070 0.038 0.000 2.421 1142 H HA -0.162 4.268 4.556 -0.211 0.000 0.298 1142 H C 1.987 177.350 175.328 0.058 0.000 1.087 1142 H CA 1.799 57.889 56.048 0.069 0.000 1.330 1142 H CB 0.138 29.931 29.762 0.052 0.000 1.388 1142 H HN 0.179 nan 8.280 nan 0.000 0.526 1143 K N 1.054 121.468 120.400 0.024 0.000 2.148 1143 K HA -0.030 4.164 4.320 -0.210 0.000 0.204 1143 K C 2.214 178.818 176.600 0.008 0.000 1.050 1143 K CA 1.057 57.341 56.287 -0.005 0.000 0.942 1143 K CB -0.408 32.110 32.500 0.030 0.000 0.724 1143 K HN 0.337 nan 8.250 nan 0.000 0.446 1144 I N 0.266 120.842 120.570 0.010 0.000 2.394 1144 I HA -0.184 3.860 4.170 -0.210 0.000 0.251 1144 I C 2.357 178.534 176.117 0.100 0.000 1.136 1144 I CA 0.761 62.085 61.300 0.039 0.000 1.425 1144 I CB -0.232 37.780 38.000 0.019 0.000 1.079 1144 I HN 0.184 nan 8.210 nan 0.000 0.425 1145 R N 1.846 122.367 120.500 0.034 0.000 2.112 1145 R HA -0.192 4.022 4.340 -0.210 0.000 0.242 1145 R C -0.622 175.671 176.300 -0.013 0.000 1.137 1145 R CA 2.185 58.294 56.100 0.014 0.000 0.944 1145 R CB -1.708 28.551 30.300 -0.068 0.000 0.857 1145 R HN 0.192 nan 8.270 nan 0.000 0.435 1146 P HA -0.111 nan 4.420 nan 0.000 0.217 1146 P C 0.069 177.214 177.300 -0.258 0.000 1.148 1146 P CA 1.551 64.534 63.100 -0.195 0.000 0.828 1146 P CB -0.080 31.430 31.700 -0.316 0.000 0.783 1147 H N -2.363 116.633 119.070 -0.123 0.000 2.517 1147 H HA 0.235 4.665 4.556 -0.210 0.000 0.282 1147 H C 1.740 177.091 175.328 0.038 0.000 1.023 1147 H CA -0.099 55.896 56.048 -0.088 0.000 1.169 1147 H CB -0.821 28.880 29.762 -0.102 0.000 1.454 1147 H HN 0.122 nan 8.280 nan 0.000 0.556 1148 I N 0.319 120.965 120.570 0.127 0.000 2.286 1148 I HA -0.246 3.798 4.170 -0.210 0.000 0.248 1148 I C 2.387 178.564 176.117 0.100 0.000 1.115 1148 I CA 1.089 62.457 61.300 0.113 0.000 1.392 1148 I CB -0.144 37.906 38.000 0.083 0.000 1.065 1148 I HN 0.396 nan 8.210 nan 0.000 0.418 1149 A N 0.535 123.400 122.820 0.074 0.000 1.930 1149 A HA -0.160 4.034 4.320 -0.210 0.000 0.217 1149 A C 2.353 179.997 177.584 0.101 0.000 1.175 1149 A CA 2.193 54.267 52.037 0.062 0.000 0.627 1149 A CB -0.920 18.098 19.000 0.030 0.000 0.815 1149 A HN 0.407 nan 8.150 nan 0.000 0.443 1150 T N 0.548 115.198 114.554 0.160 0.000 2.812 1150 T HA -0.024 4.200 4.350 -0.210 0.000 0.264 1150 T C 1.781 176.690 174.700 0.349 0.000 1.042 1150 T CA 1.276 63.540 62.100 0.275 0.000 1.140 1150 T CB -0.402 68.698 68.868 0.386 0.000 0.870 1150 T HN 0.339 nan 8.240 nan 0.000 0.445 1151 L N 0.570 121.976 121.223 0.306 0.000 2.131 1151 L HA -0.051 4.163 4.340 -0.210 0.000 0.210 1151 L C 2.790 179.763 176.870 0.172 0.000 1.092 1151 L CA 1.188 56.182 54.840 0.257 0.000 0.759 1151 L CB -0.556 41.611 42.059 0.181 0.000 0.903 1151 L HN 0.173 nan 8.230 nan 0.000 0.435 1152 R N 0.401 120.968 120.500 0.112 0.000 2.241 1152 R HA -0.135 4.079 4.340 -0.210 0.000 0.224 1152 R C 2.558 178.862 176.300 0.006 0.000 1.101 1152 R CA 1.320 57.446 56.100 0.042 0.000 0.995 1152 R CB -0.369 29.946 30.300 0.025 0.000 0.870 1152 R HN 0.386 nan 8.270 nan 0.000 0.463 1153 K N 0.487 120.895 120.400 0.012 0.000 2.211 1153 K HA 0.005 4.198 4.320 -0.210 0.000 0.201 1153 K C 0.374 176.845 176.600 -0.214 0.000 1.052 1153 K CA 0.766 56.975 56.287 -0.129 0.000 0.973 1153 K CB -0.294 32.081 32.500 -0.207 0.000 0.766 1153 K HN 0.081 nan 8.250 nan 0.000 0.466 1154 Y N 1.527 121.817 120.300 -0.018 0.000 2.319 1154 Y HA 0.122 4.546 4.550 -0.210 0.000 0.328 1154 Y C 2.082 177.926 175.900 -0.093 0.000 1.133 1154 Y CA -0.038 58.039 58.100 -0.038 0.000 1.265 1154 Y CB 1.352 39.800 38.460 -0.019 0.000 1.218 1154 Y HN 0.143 nan 8.280 nan 0.000 0.508 1155 T N 1.282 115.821 114.554 -0.026 0.000 2.685 1155 T HA -0.285 3.939 4.350 -0.210 0.000 0.268 1155 T C 1.017 175.499 174.700 -0.364 0.000 1.034 1155 T CA 1.984 63.915 62.100 -0.282 0.000 1.149 1155 T CB -0.402 68.169 68.868 -0.495 0.000 0.860 1155 T HN 0.623 nan 8.240 nan 0.000 0.449 1156 Y N 0.653 120.991 120.300 0.063 0.000 2.462 1156 Y HA 0.385 4.810 4.550 -0.208 0.000 0.261 1156 Y C 2.474 178.410 175.900 0.061 0.000 1.146 1156 Y CA -0.483 57.687 58.100 0.117 0.000 1.283 1156 Y CB -0.604 37.875 38.460 0.032 0.000 1.090 1156 Y HN 0.229 nan 8.280 nan 0.000 0.526 1157 G N 0.787 109.649 108.800 0.104 0.000 2.446 1157 G HA2 -0.290 3.544 3.960 -0.210 0.000 0.217 1157 G HA3 -0.290 3.544 3.960 -0.210 0.000 0.217 1157 G C 1.594 176.478 174.900 -0.025 0.000 1.168 1157 G CA 0.954 46.087 45.100 0.055 0.000 0.771 1157 G HN 0.230 nan 8.290 nan 0.000 0.551 1158 K N 0.409 120.720 120.400 -0.149 0.000 2.144 1158 K HA -0.171 4.022 4.320 -0.210 0.000 0.209 1158 K C 2.188 178.650 176.600 -0.229 0.000 1.047 1158 K CA 1.670 57.814 56.287 -0.239 0.000 0.927 1158 K CB -0.491 31.755 32.500 -0.423 0.000 0.716 1158 K HN 0.485 nan 8.250 nan 0.000 0.454 1159 H N -0.108 118.955 119.070 -0.012 0.000 2.357 1159 H HA 0.001 4.431 4.556 -0.210 0.000 0.301 1159 H C 2.049 177.358 175.328 -0.032 0.000 1.082 1159 H CA 1.237 57.262 56.048 -0.039 0.000 1.342 1159 H CB -0.171 29.533 29.762 -0.097 0.000 1.389 1159 H HN 0.076 nan 8.280 nan 0.000 0.511 1160 I N 0.946 121.561 120.570 0.076 0.000 2.127 1160 I HA -0.244 3.800 4.170 -0.210 0.000 0.241 1160 I C 2.455 178.600 176.117 0.047 0.000 1.075 1160 I CA 0.862 62.187 61.300 0.042 0.000 1.334 1160 I CB -0.986 37.030 38.000 0.027 0.000 1.040 1160 I HN 0.150 nan 8.210 nan 0.000 0.405 1161 L N 1.103 122.352 121.223 0.044 0.000 2.012 1161 L HA -0.175 4.039 4.340 -0.210 0.000 0.210 1161 L C 2.920 179.827 176.870 0.061 0.000 1.073 1161 L CA 2.152 57.027 54.840 0.059 0.000 0.748 1161 L CB -2.109 39.977 42.059 0.045 0.000 0.891 1161 L HN 0.234 nan 8.230 nan 0.000 0.431 1162 A N 0.109 122.952 122.820 0.040 0.000 1.884 1162 A HA -0.329 3.865 4.320 -0.210 0.000 0.219 1162 A C 2.479 180.102 177.584 0.064 0.000 1.197 1162 A CA 2.478 54.543 52.037 0.048 0.000 0.637 1162 A CB -0.607 18.424 19.000 0.051 0.000 0.827 1162 A HN 0.382 nan 8.150 nan 0.000 0.450 1163 K N -0.963 119.481 120.400 0.074 0.000 2.032 1163 K HA -0.122 4.072 4.320 -0.210 0.000 0.209 1163 K C 1.754 178.435 176.600 0.135 0.000 1.048 1163 K CA 1.498 57.846 56.287 0.101 0.000 0.927 1163 K CB -0.433 32.126 32.500 0.097 0.000 0.712 1163 K HN 0.256 nan 8.250 nan 0.000 0.441 1164 L N 1.549 122.820 121.223 0.079 0.000 2.042 1164 L HA -0.172 4.042 4.340 -0.210 0.000 0.210 1164 L C 2.340 179.223 176.870 0.021 0.000 1.076 1164 L CA 2.051 56.890 54.840 -0.002 0.000 0.749 1164 L CB -0.811 41.239 42.059 -0.015 0.000 0.893 1164 L HN 0.398 nan 8.230 nan 0.000 0.432 1165 E N -0.811 119.462 120.200 0.122 0.000 2.160 1165 E HA -0.227 3.997 4.350 -0.210 0.000 0.195 1165 E C 2.020 178.676 176.600 0.094 0.000 0.991 1165 E CA 0.987 57.487 56.400 0.166 0.000 0.810 1165 E CB 0.150 29.924 29.700 0.122 0.000 0.742 1165 E HN 0.252 nan 8.360 nan 0.000 0.466 1166 K N -0.228 120.185 120.400 0.022 0.000 2.057 1166 K HA -0.175 4.019 4.320 -0.210 0.000 0.207 1166 K C 1.984 178.469 176.600 -0.193 0.000 1.049 1166 K CA 1.476 57.695 56.287 -0.113 0.000 0.931 1166 K CB -0.502 31.861 32.500 -0.228 0.000 0.714 1166 K HN 0.372 nan 8.250 nan 0.000 0.440 1167 Y N -0.436 119.829 120.300 -0.058 0.000 2.314 1167 Y HA -0.025 4.399 4.550 -0.211 0.000 0.294 1167 Y C 1.354 177.234 175.900 -0.033 0.000 1.119 1167 Y CA 0.307 58.355 58.100 -0.086 0.000 1.179 1167 Y CB -0.363 37.993 38.460 -0.173 0.000 1.025 1167 Y HN -0.021 nan 8.280 nan 0.000 0.541 1168 Y N 0.000 120.391 120.300 0.151 0.000 2.660 1168 Y HA 0.000 4.424 4.550 -0.210 0.000 0.201 1168 Y CA 0.000 58.154 58.100 0.090 0.000 1.940 1168 Y CB 0.000 38.504 38.460 0.073 0.000 1.050 1168 Y HN 0.000 nan 8.280 nan 0.000 0.758