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 2ius_1_B DATA FIRST_RESID 840 DATA SEQUENCE LPSLDLLTPP XXXXXXXXTF ALEQMARLVE ARLADFRIKA DVVNYSPGPV DATA SEQUENCE ITRFELNLAP GVKAARISNL SRDLARSLST VAVRVVEVIP GKPYVGLELP DATA SEQUENCE NKKRQTVYLR EVLDNAKFRD NPSPLTVVLG KDIAGEPVVA DLAKMPHLLV DATA SEQUENCE AGTTGSGASV GVNAMILSML YKAQPEDVRF IMIDPKMLEL SVYEGIPHLL DATA SEQUENCE TEVVTDMKDA ANALRWCVNE MERRYKLMSA LGVRNLAGYN EKIAEADRMM DATA SEQUENCE RPIPDPYWXX XXXXXXXHPV LKKEPYIVVL VDEFADLMMT VGKKVEELIA DATA SEQUENCE RLAQKARAAG IHLVLATQRP SVDVITGLIK ANIPTRIAFT VSSKIDSRTI DATA SEQUENCE LDQAGAESLL GMGDMLYSGP NSTLPVRVHG AFVRDQEVHA VVQDWKARGR DATA SEQUENCE PQYVDGITSD 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 840 L HA 0.000 nan 4.340 nan 0.000 0.249 840 L C 0.000 176.770 176.870 -0.166 0.000 1.165 840 L CA 0.000 54.798 54.840 -0.071 0.000 0.813 840 L CB 0.000 41.925 42.059 -0.223 0.000 0.961 841 P HA 0.068 nan 4.420 nan 0.000 0.270 841 P C -0.395 176.870 177.300 -0.060 0.000 1.223 841 P CA 0.488 63.400 63.100 -0.312 0.000 0.785 841 P CB 1.099 32.484 31.700 -0.524 0.000 0.923 842 S N -0.055 115.666 115.700 0.036 0.000 2.646 842 S HA 0.256 4.726 4.470 0.000 0.000 0.276 842 S C 1.321 176.108 174.600 0.312 0.000 1.222 842 S CA -0.814 57.482 58.200 0.159 0.000 1.014 842 S CB 0.204 63.446 63.200 0.070 0.000 0.991 842 S HN 0.373 nan 8.310 nan 0.000 0.533 843 L N 1.806 123.164 121.223 0.224 0.000 2.478 843 L HA 0.053 4.393 4.340 0.000 0.000 0.223 843 L C 0.961 177.871 176.870 0.067 0.000 1.140 843 L CA 0.435 55.341 54.840 0.109 0.000 0.842 843 L CB -0.381 41.677 42.059 -0.002 0.000 0.953 843 L HN 0.591 nan 8.230 nan 0.000 0.452 844 D N 0.311 120.753 120.400 0.070 0.000 2.392 844 D HA -0.078 4.562 4.640 0.000 0.000 0.228 844 D C 1.971 178.299 176.300 0.048 0.000 1.003 844 D CA 0.856 54.879 54.000 0.039 0.000 0.917 844 D CB 0.041 40.858 40.800 0.029 0.000 0.890 844 D HN 0.354 nan 8.370 nan 0.000 0.532 845 L N -0.524 120.752 121.223 0.087 0.000 2.567 845 L HA 0.159 4.499 4.340 0.000 0.000 0.225 845 L C 0.669 177.590 176.870 0.085 0.000 1.119 845 L CA 0.223 55.118 54.840 0.091 0.000 0.871 845 L CB 0.107 42.243 42.059 0.129 0.000 1.036 845 L HN -0.088 nan 8.230 nan 0.000 0.459 846 L N -0.793 120.469 121.223 0.064 0.000 2.330 846 L HA 0.375 4.715 4.340 0.000 0.000 0.271 846 L C 0.496 177.369 176.870 0.005 0.000 1.013 846 L CA -0.595 54.265 54.840 0.034 0.000 0.816 846 L CB 1.893 43.945 42.059 -0.011 0.000 1.287 846 L HN -0.109 nan 8.230 nan 0.000 0.435 847 T N 0.827 115.392 114.554 0.019 0.000 2.919 847 T HA 0.347 4.697 4.350 0.000 0.000 0.302 847 T C -2.442 172.153 174.700 -0.174 0.000 1.031 847 T CA -1.063 61.010 62.100 -0.045 0.000 1.127 847 T CB 0.983 69.861 68.868 0.016 0.000 0.952 847 T HN 0.251 nan 8.240 nan 0.000 0.540 848 P HA 0.369 nan 4.420 nan 0.000 0.282 848 P C -2.101 174.877 177.300 -0.537 0.000 1.249 848 P CA -1.491 61.444 63.100 -0.274 0.000 0.806 848 P CB -0.039 31.564 31.700 -0.161 0.000 0.984 859 F N 3.570 123.528 119.950 0.013 0.000 2.146 859 F HA 0.486 5.013 4.527 -0.000 0.000 0.298 859 F C 2.485 178.279 175.800 -0.009 0.000 1.096 859 F CA 1.498 59.504 58.000 0.011 0.000 1.275 859 F CB -0.639 38.368 39.000 0.012 0.000 1.008 859 F HN 0.361 nan 8.300 nan 0.000 0.480 860 A N 0.730 123.458 122.820 -0.153 0.000 1.972 860 A HA -0.091 4.229 4.320 0.000 0.000 0.219 860 A C 2.309 179.745 177.584 -0.247 0.000 1.169 860 A CA 1.649 53.540 52.037 -0.243 0.000 0.635 860 A CB -1.028 17.934 19.000 -0.062 0.000 0.810 860 A HN 0.512 nan 8.150 nan 0.000 0.446 861 L N -1.289 119.799 121.223 -0.225 0.000 1.973 861 L HA -0.164 4.176 4.340 0.000 0.000 0.208 861 L C 2.624 179.293 176.870 -0.334 0.000 1.073 861 L CA 1.814 56.460 54.840 -0.322 0.000 0.746 861 L CB -0.729 40.961 42.059 -0.615 0.000 0.891 861 L HN 0.454 nan 8.230 nan 0.000 0.433 862 E N -0.492 119.531 120.200 -0.296 0.000 2.171 862 E HA -0.259 4.091 4.350 0.000 0.000 0.197 862 E C 2.308 178.829 176.600 -0.131 0.000 0.997 862 E CA 1.066 57.414 56.400 -0.087 0.000 0.810 862 E CB 0.173 29.916 29.700 0.072 0.000 0.738 862 E HN 0.368 nan 8.360 nan 0.000 0.467 863 Q N -0.334 119.290 119.800 -0.294 0.000 2.046 863 Q HA -0.165 4.175 4.340 0.000 0.000 0.200 863 Q C 2.122 177.994 176.000 -0.214 0.000 0.975 863 Q CA 1.180 56.803 55.803 -0.300 0.000 0.836 863 Q CB -0.266 28.161 28.738 -0.519 0.000 0.896 863 Q HN 0.323 nan 8.270 nan 0.000 0.428 864 M N 0.400 119.868 119.600 -0.220 0.000 2.296 864 M HA 0.003 4.483 4.480 0.000 0.000 0.265 864 M C 1.750 177.829 176.300 -0.369 0.000 1.064 864 M CA 1.410 56.562 55.300 -0.248 0.000 1.109 864 M CB -0.420 32.064 32.600 -0.194 0.000 1.396 864 M HN 0.101 nan 8.290 nan 0.000 0.430 865 A N -0.426 122.249 122.820 -0.240 0.000 1.968 865 A HA -0.089 4.231 4.320 0.000 0.000 0.217 865 A C 2.345 179.861 177.584 -0.113 0.000 1.169 865 A CA 1.498 53.432 52.037 -0.172 0.000 0.638 865 A CB -0.574 18.558 19.000 0.220 0.000 0.812 865 A HN 0.562 nan 8.150 nan 0.000 0.446 866 R N -0.583 119.864 120.500 -0.089 0.000 2.093 866 R HA 0.129 4.469 4.340 0.000 0.000 0.224 866 R C 1.828 178.080 176.300 -0.079 0.000 1.101 866 R CA 0.815 56.880 56.100 -0.058 0.000 0.979 866 R CB -0.253 30.022 30.300 -0.042 0.000 0.877 866 R HN 0.518 nan 8.270 nan 0.000 0.441 867 L N -0.214 120.939 121.223 -0.116 0.000 2.156 867 L HA -0.114 4.226 4.340 0.000 0.000 0.208 867 L C 2.206 179.007 176.870 -0.115 0.000 1.095 867 L CA 0.666 55.444 54.840 -0.103 0.000 0.770 867 L CB -0.245 41.744 42.059 -0.116 0.000 0.914 867 L HN 0.057 nan 8.230 nan 0.000 0.439 868 V N 0.006 119.808 119.914 -0.188 0.000 2.307 868 V HA -0.290 3.830 4.120 0.000 0.000 0.245 868 V C 2.464 178.489 176.094 -0.115 0.000 1.045 868 V CA 1.982 64.162 62.300 -0.200 0.000 1.024 868 V CB -0.365 31.244 31.823 -0.357 0.000 0.651 868 V HN 0.476 nan 8.190 nan 0.000 0.449 869 E N -0.018 120.126 120.200 -0.093 0.000 2.110 869 E HA -0.217 4.133 4.350 0.000 0.000 0.193 869 E C 2.191 178.780 176.600 -0.018 0.000 0.988 869 E CA 1.328 57.701 56.400 -0.044 0.000 0.804 869 E CB -0.197 29.487 29.700 -0.027 0.000 0.745 869 E HN 0.584 nan 8.360 nan 0.000 0.458 870 A N 1.019 123.827 122.820 -0.020 0.000 1.897 870 A HA -0.114 4.206 4.320 0.000 0.000 0.215 870 A C 2.083 179.692 177.584 0.041 0.000 1.181 870 A CA 0.927 52.967 52.037 0.005 0.000 0.620 870 A CB -0.268 18.727 19.000 -0.008 0.000 0.821 870 A HN 0.084 nan 8.150 nan 0.000 0.443 871 R N -0.173 120.351 120.500 0.039 0.000 2.115 871 R HA 0.031 4.371 4.340 0.000 0.000 0.230 871 R C 1.977 178.405 176.300 0.214 0.000 1.111 871 R CA 0.877 57.053 56.100 0.127 0.000 0.976 871 R CB -1.015 29.332 30.300 0.078 0.000 0.870 871 R HN 0.576 nan 8.270 nan 0.000 0.445 872 L N 0.083 121.345 121.223 0.064 0.000 2.027 872 L HA -0.062 4.278 4.340 0.000 0.000 0.206 872 L C 2.502 179.453 176.870 0.134 0.000 1.074 872 L CA 1.275 56.122 54.840 0.012 0.000 0.745 872 L CB -0.594 41.435 42.059 -0.050 0.000 0.898 872 L HN 0.124 nan 8.230 nan 0.000 0.433 873 A N -0.675 122.207 122.820 0.104 0.000 2.015 873 A HA -0.248 4.072 4.320 0.000 0.000 0.219 873 A C 1.885 179.550 177.584 0.136 0.000 1.163 873 A CA 1.663 53.758 52.037 0.096 0.000 0.646 873 A CB -0.519 18.511 19.000 0.049 0.000 0.806 873 A HN 0.359 nan 8.150 nan 0.000 0.448 874 D N -1.550 118.961 120.400 0.185 0.000 2.354 874 D HA -0.039 4.601 4.640 0.000 0.000 0.216 874 D C 0.075 176.381 176.300 0.009 0.000 0.970 874 D CA 0.706 54.759 54.000 0.090 0.000 0.905 874 D CB -0.076 40.768 40.800 0.074 0.000 0.903 874 D HN 0.330 nan 8.370 nan 0.000 0.508 875 F N -1.204 118.738 119.950 -0.013 0.000 2.697 875 F HA 0.420 4.947 4.527 -0.000 0.000 0.386 875 F C 1.160 176.956 175.800 -0.007 0.000 1.154 875 F CA -1.167 56.827 58.000 -0.010 0.000 1.108 875 F CB 0.273 39.267 39.000 -0.009 0.000 1.429 875 F HN -0.509 nan 8.300 nan 0.000 0.509 876 R N 1.142 121.776 120.500 0.224 0.000 3.907 876 R HA 0.362 4.702 4.340 0.000 0.000 0.241 876 R C -1.366 174.990 176.300 0.094 0.000 1.784 876 R CA 0.373 56.541 56.100 0.115 0.000 1.509 876 R CB -1.607 28.743 30.300 0.082 0.000 1.275 876 R HN 0.503 nan 8.270 nan 0.000 0.642 877 I N 0.990 121.623 120.570 0.106 0.000 2.420 877 I HA 0.266 4.436 4.170 0.000 0.000 0.282 877 I C -0.147 175.991 176.117 0.035 0.000 1.019 877 I CA -0.804 60.522 61.300 0.043 0.000 1.130 877 I CB 1.466 39.457 38.000 -0.016 0.000 1.262 877 I HN -0.059 nan 8.210 nan 0.000 0.454 878 K N 5.913 126.328 120.400 0.025 0.000 2.240 878 K HA 0.842 5.162 4.320 0.000 0.000 0.271 878 K C -1.219 175.386 176.600 0.008 0.000 1.018 878 K CA -0.228 56.070 56.287 0.019 0.000 0.874 878 K CB 1.797 34.309 32.500 0.020 0.000 1.098 878 K HN 0.769 nan 8.250 nan 0.000 0.458 879 A N 4.008 126.828 122.820 0.000 0.000 2.577 879 A HA 0.379 4.699 4.320 0.000 0.000 0.297 879 A C -1.800 175.774 177.584 -0.017 0.000 1.060 879 A CA -0.920 51.112 52.037 -0.009 0.000 0.697 879 A CB 1.068 20.061 19.000 -0.012 0.000 1.281 879 A HN 0.658 nan 8.150 nan 0.000 0.402 880 D N 1.184 121.565 120.400 -0.032 0.000 2.168 880 D HA 0.438 5.078 4.640 0.000 0.000 0.246 880 D C -0.230 176.034 176.300 -0.060 0.000 1.050 880 D CA -0.117 53.859 54.000 -0.041 0.000 0.857 880 D CB 1.928 42.697 40.800 -0.051 0.000 1.169 880 D HN 0.186 nan 8.370 nan 0.000 0.453 881 V N 2.943 122.848 119.914 -0.016 0.000 2.370 881 V HA 0.005 4.125 4.120 0.000 0.000 0.257 881 V C 1.676 177.756 176.094 -0.023 0.000 1.064 881 V CA -0.223 62.096 62.300 0.032 0.000 0.975 881 V CB 0.759 32.671 31.823 0.149 0.000 1.067 881 V HN 0.511 nan 8.190 nan 0.000 0.485 882 V N 1.850 121.663 119.914 -0.168 0.000 3.129 882 V HA 0.242 4.362 4.120 0.000 0.000 0.259 882 V C 0.674 176.643 176.094 -0.208 0.000 1.116 882 V CA 1.068 63.224 62.300 -0.241 0.000 1.127 882 V CB -0.689 30.826 31.823 -0.513 0.000 0.742 882 V HN 0.883 nan 8.190 nan 0.000 0.474 883 N N -0.752 117.848 118.700 -0.168 0.000 3.227 883 N HA 0.437 5.177 4.740 0.000 0.000 0.241 883 N C -2.263 173.139 175.510 -0.180 0.000 1.480 883 N CA -0.232 52.642 53.050 -0.293 0.000 0.886 883 N CB 1.972 40.344 38.487 -0.192 0.000 1.406 883 N HN 0.301 nan 8.380 nan 0.000 0.514 884 Y N -1.068 119.157 120.300 -0.125 0.000 2.474 884 Y HA 0.496 5.046 4.550 0.000 0.000 0.326 884 Y C -1.615 174.142 175.900 -0.238 0.000 1.160 884 Y CA -1.149 56.768 58.100 -0.304 0.000 1.056 884 Y CB 0.854 38.911 38.460 -0.671 0.000 1.330 884 Y HN 0.342 nan 8.280 nan 0.000 0.447 885 S N 2.878 118.556 115.700 -0.036 0.000 2.733 885 S HA 0.639 5.109 4.470 0.000 0.000 0.307 885 S C -3.039 171.536 174.600 -0.042 0.000 1.127 885 S CA -1.406 56.783 58.200 -0.018 0.000 1.097 885 S CB 1.777 64.967 63.200 -0.016 0.000 1.003 885 S HN 0.590 nan 8.310 nan 0.000 0.477 886 P HA 0.498 nan 4.420 nan 0.000 0.275 886 P C 0.206 177.503 177.300 -0.005 0.000 1.228 886 P CA 0.051 63.126 63.100 -0.042 0.000 0.786 886 P CB 1.209 32.888 31.700 -0.035 0.000 0.927 887 G N 1.258 110.060 108.800 0.003 0.000 3.086 887 G HA2 0.496 4.456 3.960 0.000 0.000 0.282 887 G HA3 0.496 4.456 3.960 0.000 0.000 0.282 887 G C -2.317 172.584 174.900 0.003 0.000 1.343 887 G CA -1.103 44.015 45.100 0.030 0.000 0.895 887 G HN 0.115 nan 8.290 nan 0.000 0.557 888 P HA 0.048 nan 4.420 nan 0.000 0.221 888 P C 1.272 178.483 177.300 -0.149 0.000 1.150 888 P CA 0.761 63.833 63.100 -0.047 0.000 0.800 888 P CB 0.317 32.011 31.700 -0.010 0.000 0.787 889 V N -2.319 117.431 119.914 -0.274 0.000 3.137 889 V HA 0.180 4.300 4.120 0.000 0.000 0.236 889 V C 1.025 177.015 176.094 -0.173 0.000 1.260 889 V CA 0.317 62.398 62.300 -0.364 0.000 1.244 889 V CB -0.168 31.117 31.823 -0.895 0.000 1.016 889 V HN -0.076 nan 8.190 nan 0.000 0.477 890 I N -2.350 118.174 120.570 -0.076 0.000 3.294 890 I HA 0.820 4.990 4.170 0.000 0.000 0.311 890 I C -0.496 175.637 176.117 0.026 0.000 1.111 890 I CA -0.504 60.809 61.300 0.021 0.000 0.976 890 I CB 1.856 39.912 38.000 0.094 0.000 1.260 890 I HN -0.158 nan 8.210 nan 0.000 0.474 891 T N 1.243 115.819 114.554 0.037 0.000 2.848 891 T HA 0.501 4.851 4.350 0.000 0.000 0.285 891 T C -0.783 173.890 174.700 -0.046 0.000 0.995 891 T CA -0.553 61.506 62.100 -0.068 0.000 0.970 891 T CB 1.338 70.098 68.868 -0.180 0.000 0.976 891 T HN 0.724 nan 8.240 nan 0.000 0.441 892 R N 2.817 123.258 120.500 -0.099 0.000 2.229 892 R HA 0.479 4.819 4.340 0.000 0.000 0.332 892 R C -1.393 174.859 176.300 -0.079 0.000 0.989 892 R CA -0.517 55.584 56.100 0.002 0.000 0.842 892 R CB 0.254 30.576 30.300 0.037 0.000 1.119 892 R HN 0.441 nan 8.270 nan 0.000 0.456 893 F N 3.003 123.007 119.950 0.089 0.000 2.405 893 F HA 0.246 4.773 4.527 -0.000 0.000 0.355 893 F C 0.346 176.189 175.800 0.072 0.000 1.121 893 F CA -0.451 57.616 58.000 0.111 0.000 1.112 893 F CB 1.556 40.598 39.000 0.070 0.000 1.126 893 F HN 0.397 nan 8.300 nan 0.000 0.481 894 E N 5.066 125.379 120.200 0.188 0.000 2.152 894 E HA 0.323 4.673 4.350 0.000 0.000 0.285 894 E C -0.721 175.884 176.600 0.009 0.000 1.043 894 E CA -0.326 56.143 56.400 0.114 0.000 0.839 894 E CB 1.005 30.773 29.700 0.114 0.000 1.069 894 E HN 0.497 nan 8.360 nan 0.000 0.399 895 L N 3.031 124.281 121.223 0.045 0.000 2.325 895 L HA 0.338 4.678 4.340 0.000 0.000 0.279 895 L C 0.141 176.989 176.870 -0.037 0.000 1.054 895 L CA -0.888 53.945 54.840 -0.012 0.000 0.804 895 L CB 0.850 42.923 42.059 0.025 0.000 1.200 895 L HN 0.442 nan 8.230 nan 0.000 0.436 896 N N 3.212 121.855 118.700 -0.095 0.000 2.564 896 N HA 0.388 5.128 4.740 0.000 0.000 0.248 896 N C -1.010 174.509 175.510 0.015 0.000 0.986 896 N CA -0.389 52.643 53.050 -0.030 0.000 0.921 896 N CB 0.660 39.062 38.487 -0.140 0.000 1.136 896 N HN 0.473 nan 8.380 nan 0.000 0.509 897 L N 1.771 123.025 121.223 0.052 0.000 2.436 897 L HA 0.523 4.863 4.340 0.000 0.000 0.265 897 L C 1.137 178.028 176.870 0.035 0.000 1.168 897 L CA -0.998 53.862 54.840 0.033 0.000 0.815 897 L CB 0.742 42.821 42.059 0.034 0.000 1.109 897 L HN 0.530 nan 8.230 nan 0.000 0.462 898 A N 3.181 126.015 122.820 0.024 0.000 2.386 898 A HA 0.362 4.682 4.320 0.000 0.000 0.246 898 A C -2.203 175.396 177.584 0.026 0.000 1.089 898 A CA -1.029 51.022 52.037 0.023 0.000 0.790 898 A CB -0.664 18.347 19.000 0.019 0.000 1.042 898 A HN 0.520 nan 8.150 nan 0.000 0.497 899 P HA 0.260 nan 4.420 nan 0.000 0.258 899 P C 0.941 178.252 177.300 0.019 0.000 1.187 899 P CA 1.866 64.979 63.100 0.023 0.000 0.767 899 P CB 0.372 32.084 31.700 0.020 0.000 0.770 900 G N 1.904 110.715 108.800 0.018 0.000 2.308 900 G HA2 -0.233 3.727 3.960 0.000 0.000 0.221 900 G HA3 -0.233 3.727 3.960 0.000 0.000 0.221 900 G C 0.098 175.007 174.900 0.015 0.000 1.032 900 G CA -0.210 44.899 45.100 0.015 0.000 0.623 900 G HN 0.501 nan 8.290 nan 0.000 0.506 901 V N 3.998 123.922 119.914 0.016 0.000 2.458 901 V HA 0.272 4.392 4.120 0.000 0.000 0.287 901 V C 0.888 176.989 176.094 0.012 0.000 1.009 901 V CA -0.181 62.127 62.300 0.013 0.000 1.091 901 V CB 0.908 32.739 31.823 0.013 0.000 0.960 901 V HN 0.305 nan 8.190 nan 0.000 0.476 902 K N 3.876 124.281 120.400 0.008 0.000 2.319 902 K HA 0.302 4.622 4.320 0.000 0.000 0.265 902 K C 1.259 177.861 176.600 0.004 0.000 1.000 902 K CA 0.372 56.663 56.287 0.007 0.000 0.943 902 K CB 0.770 33.273 32.500 0.005 0.000 0.950 902 K HN 0.678 nan 8.250 nan 0.000 0.485 903 A N 1.602 124.426 122.820 0.006 0.000 1.970 903 A HA -0.043 4.277 4.320 0.000 0.000 0.216 903 A C 1.961 179.542 177.584 -0.005 0.000 1.170 903 A CA 1.623 53.662 52.037 0.004 0.000 0.645 903 A CB -0.380 18.626 19.000 0.011 0.000 0.816 903 A HN 0.717 nan 8.150 nan 0.000 0.447 904 A N -0.428 122.390 122.820 -0.004 0.000 2.172 904 A HA -0.063 4.257 4.320 0.000 0.000 0.216 904 A C 2.101 179.677 177.584 -0.013 0.000 1.154 904 A CA 1.277 53.310 52.037 -0.007 0.000 0.701 904 A CB -0.465 18.533 19.000 -0.002 0.000 0.789 904 A HN 0.540 nan 8.150 nan 0.000 0.465 905 R N -0.623 119.868 120.500 -0.016 0.000 2.066 905 R HA -0.086 4.254 4.340 0.000 0.000 0.232 905 R C 1.592 177.861 176.300 -0.053 0.000 1.131 905 R CA 1.664 57.750 56.100 -0.024 0.000 0.955 905 R CB -0.281 30.009 30.300 -0.017 0.000 0.851 905 R HN 0.465 nan 8.270 nan 0.000 0.432 906 I N 0.390 120.922 120.570 -0.063 0.000 2.233 906 I HA -0.169 4.001 4.170 0.000 0.000 0.243 906 I C 2.242 178.311 176.117 -0.080 0.000 1.093 906 I CA 1.157 62.396 61.300 -0.101 0.000 1.380 906 I CB -0.360 37.587 38.000 -0.087 0.000 1.067 906 I HN 0.031 nan 8.210 nan 0.000 0.413 907 S N 0.963 116.635 115.700 -0.045 0.000 2.380 907 S HA -0.241 4.229 4.470 0.000 0.000 0.229 907 S C 1.653 176.236 174.600 -0.029 0.000 1.043 907 S CA 1.856 60.038 58.200 -0.030 0.000 1.038 907 S CB -0.703 62.488 63.200 -0.015 0.000 0.872 907 S HN 0.471 nan 8.310 nan 0.000 0.456 908 N N 0.573 119.256 118.700 -0.028 0.000 2.521 908 N HA 0.114 4.854 4.740 0.000 0.000 0.188 908 N C 0.564 176.059 175.510 -0.025 0.000 1.146 908 N CA 0.229 53.268 53.050 -0.018 0.000 0.893 908 N CB 0.100 38.582 38.487 -0.009 0.000 0.975 908 N HN 0.218 nan 8.380 nan 0.000 0.451 909 L N -0.471 120.718 121.223 -0.058 0.000 3.267 909 L HA 0.306 4.646 4.340 0.000 0.000 0.289 909 L C 1.432 178.245 176.870 -0.095 0.000 1.260 909 L CA 0.007 54.794 54.840 -0.088 0.000 1.034 909 L CB -0.444 41.497 42.059 -0.196 0.000 1.413 909 L HN 0.035 nan 8.230 nan 0.000 0.594 910 S N -0.618 115.048 115.700 -0.056 0.000 2.348 910 S HA -0.194 4.276 4.470 0.000 0.000 0.221 910 S C 2.072 176.656 174.600 -0.027 0.000 1.033 910 S CA 0.926 59.100 58.200 -0.043 0.000 1.010 910 S CB -0.267 62.920 63.200 -0.022 0.000 0.891 910 S HN 0.397 nan 8.310 nan 0.000 0.442 911 R N 2.016 122.510 120.500 -0.009 0.000 2.083 911 R HA -0.017 4.323 4.340 0.000 0.000 0.237 911 R C 1.931 178.240 176.300 0.015 0.000 1.137 911 R CA 1.989 58.093 56.100 0.005 0.000 0.951 911 R CB -1.206 29.102 30.300 0.013 0.000 0.851 911 R HN 0.538 nan 8.270 nan 0.000 0.434 912 D N -0.164 120.252 120.400 0.026 0.000 2.117 912 D HA -0.121 4.519 4.640 0.000 0.000 0.198 912 D C 1.921 178.263 176.300 0.069 0.000 0.982 912 D CA 0.681 54.727 54.000 0.076 0.000 0.828 912 D CB -0.278 40.611 40.800 0.149 0.000 0.967 912 D HN 0.155 nan 8.370 nan 0.000 0.464 913 L N 0.615 121.822 121.223 -0.026 0.000 2.017 913 L HA -0.135 4.205 4.340 0.000 0.000 0.208 913 L C 2.082 178.938 176.870 -0.024 0.000 1.073 913 L CA 1.320 56.120 54.840 -0.067 0.000 0.745 913 L CB -0.227 41.736 42.059 -0.160 0.000 0.894 913 L HN -0.016 nan 8.230 nan 0.000 0.432 914 A N -0.649 122.157 122.820 -0.023 0.000 2.178 914 A HA -0.213 4.107 4.320 0.000 0.000 0.218 914 A C 2.182 179.766 177.584 -0.001 0.000 1.157 914 A CA 1.200 53.227 52.037 -0.015 0.000 0.689 914 A CB -0.518 18.477 19.000 -0.009 0.000 0.787 914 A HN 0.476 nan 8.150 nan 0.000 0.465 915 R N -0.734 119.775 120.500 0.016 0.000 2.466 915 R HA 0.213 4.553 4.340 0.000 0.000 0.279 915 R C 0.592 176.910 176.300 0.030 0.000 0.976 915 R CA 0.484 56.597 56.100 0.022 0.000 1.081 915 R CB 0.120 30.439 30.300 0.031 0.000 1.215 915 R HN 0.408 nan 8.270 nan 0.000 0.546 916 S N -0.361 115.357 115.700 0.031 0.000 2.511 916 S HA 0.190 4.660 4.470 0.000 0.000 0.214 916 S C -0.058 174.545 174.600 0.004 0.000 0.997 916 S CA 0.058 58.281 58.200 0.038 0.000 0.908 916 S CB 0.341 63.590 63.200 0.083 0.000 0.803 916 S HN 0.045 nan 8.310 nan 0.000 0.504 917 L N -0.758 120.456 121.223 -0.015 0.000 2.192 917 L HA 0.582 4.922 4.340 0.000 0.000 0.250 917 L C 0.365 177.221 176.870 -0.024 0.000 1.114 917 L CA -0.538 54.283 54.840 -0.032 0.000 1.065 917 L CB 0.311 42.334 42.059 -0.061 0.000 1.609 917 L HN -0.112 nan 8.230 nan 0.000 0.495 918 S N -0.233 115.450 115.700 -0.027 0.000 2.514 918 S HA 0.496 4.966 4.470 0.000 0.000 0.179 918 S C -0.704 173.886 174.600 -0.017 0.000 1.409 918 S CA -0.326 57.863 58.200 -0.018 0.000 1.138 918 S CB -0.930 62.261 63.200 -0.015 0.000 1.217 918 S HN 0.681 nan 8.310 nan 0.000 0.493 919 T N -0.470 114.075 114.554 -0.015 0.000 2.824 919 T HA 0.430 4.780 4.350 0.000 0.000 0.282 919 T C 1.413 176.111 174.700 -0.003 0.000 0.993 919 T CA -0.789 61.305 62.100 -0.009 0.000 0.967 919 T CB 1.374 70.237 68.868 -0.009 0.000 0.960 919 T HN 0.017 nan 8.240 nan 0.000 0.441 920 V N 1.495 121.410 119.914 0.001 0.000 2.313 920 V HA 0.001 4.121 4.120 0.000 0.000 0.253 920 V C 1.479 177.578 176.094 0.009 0.000 1.070 920 V CA 2.361 64.664 62.300 0.005 0.000 1.057 920 V CB -1.407 30.421 31.823 0.008 0.000 0.653 920 V HN 1.291 nan 8.190 nan 0.000 0.450 921 A N -2.177 120.649 122.820 0.010 0.000 2.540 921 A HA 0.710 5.030 4.320 0.000 0.000 0.291 921 A C -1.519 176.073 177.584 0.013 0.000 1.083 921 A CA -0.329 51.715 52.037 0.012 0.000 0.650 921 A CB 1.644 20.656 19.000 0.020 0.000 1.292 921 A HN 0.103 nan 8.150 nan 0.000 0.435 922 V N 0.447 120.368 119.914 0.011 0.000 2.760 922 V HA 0.667 4.787 4.120 0.000 0.000 0.309 922 V C -0.248 175.857 176.094 0.018 0.000 1.077 922 V CA -0.541 61.767 62.300 0.012 0.000 0.910 922 V CB 1.912 33.728 31.823 -0.012 0.000 1.008 922 V HN 0.965 nan 8.190 nan 0.000 0.424 923 R N 3.007 123.528 120.500 0.034 0.000 2.343 923 R HA 0.716 5.056 4.340 0.000 0.000 0.320 923 R C -1.493 174.826 176.300 0.032 0.000 0.956 923 R CA -0.388 55.732 56.100 0.033 0.000 0.836 923 R CB 1.741 32.067 30.300 0.044 0.000 1.151 923 R HN 0.537 nan 8.270 nan 0.000 0.450 924 V N 5.964 125.889 119.914 0.017 0.000 2.385 924 V HA 0.197 4.317 4.120 0.000 0.000 0.269 924 V C -0.246 175.860 176.094 0.021 0.000 1.043 924 V CA -0.538 61.772 62.300 0.015 0.000 0.906 924 V CB 1.497 33.318 31.823 -0.004 0.000 0.995 924 V HN 0.527 nan 8.190 nan 0.000 0.467 925 V N 4.988 124.922 119.914 0.033 0.000 2.318 925 V HA 0.198 4.318 4.120 0.000 0.000 0.271 925 V C 1.285 177.397 176.094 0.031 0.000 1.030 925 V CA -0.173 62.146 62.300 0.031 0.000 0.844 925 V CB 0.961 32.809 31.823 0.040 0.000 1.015 925 V HN 1.018 nan 8.190 nan 0.000 0.460 926 E N 4.058 124.270 120.200 0.020 0.000 2.160 926 E HA -0.165 4.185 4.350 0.000 0.000 0.195 926 E C 0.579 177.191 176.600 0.021 0.000 0.991 926 E CA 1.180 57.590 56.400 0.018 0.000 0.810 926 E CB 0.401 30.106 29.700 0.009 0.000 0.742 926 E HN 0.507 nan 8.360 nan 0.000 0.466 927 V N 1.113 121.038 119.914 0.018 0.000 2.569 927 V HA 0.347 4.467 4.120 0.000 0.000 0.301 927 V C -1.065 175.038 176.094 0.015 0.000 1.044 927 V CA -0.734 61.574 62.300 0.013 0.000 0.874 927 V CB 1.626 33.450 31.823 0.002 0.000 1.002 927 V HN 0.083 nan 8.190 nan 0.000 0.424 928 I N 9.672 130.252 120.570 0.017 0.000 2.291 928 I HA 0.372 4.542 4.170 0.000 0.000 0.290 928 I C -1.935 174.178 176.117 -0.007 0.000 1.050 928 I CA -1.958 59.353 61.300 0.018 0.000 1.245 928 I CB 1.900 39.927 38.000 0.045 0.000 1.405 928 I HN 0.502 nan 8.210 nan 0.000 0.478 929 P HA -0.077 nan 4.420 nan 0.000 0.253 929 P C 0.823 178.107 177.300 -0.027 0.000 1.159 929 P CA 0.886 63.977 63.100 -0.015 0.000 0.779 929 P CB 0.381 32.077 31.700 -0.007 0.000 0.745 930 G N 2.440 111.214 108.800 -0.042 0.000 2.175 930 G HA2 -0.213 3.747 3.960 0.000 0.000 0.244 930 G HA3 -0.213 3.747 3.960 0.000 0.000 0.244 930 G C -0.057 174.783 174.900 -0.101 0.000 0.982 930 G CA -0.023 45.042 45.100 -0.058 0.000 0.641 930 G HN 0.596 nan 8.290 nan 0.000 0.527 931 K N -0.315 120.005 120.400 -0.133 0.000 2.477 931 K HA 0.527 4.847 4.320 0.000 0.000 0.255 931 K C -2.019 174.396 176.600 -0.309 0.000 0.952 931 K CA -1.486 54.633 56.287 -0.280 0.000 0.826 931 K CB 2.940 35.271 32.500 -0.281 0.000 1.331 931 K HN -0.077 nan 8.250 nan 0.000 0.437 932 P HA -0.043 nan 4.420 nan 0.000 0.245 932 P C -0.500 176.725 177.300 -0.126 0.000 1.206 932 P CA 0.541 63.467 63.100 -0.290 0.000 0.781 932 P CB 0.216 31.757 31.700 -0.266 0.000 0.994 933 Y N -0.533 119.772 120.300 0.008 0.000 2.299 933 Y HA 0.261 4.811 4.550 0.000 0.000 0.335 933 Y C 1.293 177.203 175.900 0.016 0.000 1.287 933 Y CA -1.465 56.643 58.100 0.014 0.000 1.424 933 Y CB 0.501 38.971 38.460 0.018 0.000 1.326 933 Y HN -0.381 nan 8.280 nan 0.000 0.567 934 V N 0.820 120.857 119.914 0.205 0.000 2.617 934 V HA 0.482 4.602 4.120 0.000 0.000 0.298 934 V C 0.398 176.562 176.094 0.117 0.000 1.048 934 V CA -0.626 61.743 62.300 0.115 0.000 0.964 934 V CB 1.471 33.338 31.823 0.073 0.000 1.004 934 V HN 0.907 nan 8.190 nan 0.000 0.466 935 G N 3.659 112.514 108.800 0.092 0.000 2.367 935 G HA2 0.643 4.603 3.960 0.000 0.000 0.314 935 G HA3 0.643 4.603 3.960 0.000 0.000 0.314 935 G C -1.123 173.833 174.900 0.093 0.000 1.130 935 G CA -0.460 44.700 45.100 0.100 0.000 0.864 935 G HN 0.579 nan 8.290 nan 0.000 0.486 936 L N 1.967 123.272 121.223 0.135 0.000 2.415 936 L HA 0.333 4.673 4.340 0.000 0.000 0.268 936 L C -0.496 176.498 176.870 0.206 0.000 0.984 936 L CA -0.465 54.454 54.840 0.133 0.000 0.853 936 L CB 2.040 44.165 42.059 0.110 0.000 1.215 936 L HN 0.569 nan 8.230 nan 0.000 0.419 937 E N 5.169 125.456 120.200 0.144 0.000 2.081 937 E HA 0.492 4.842 4.350 0.000 0.000 0.276 937 E C -1.058 175.628 176.600 0.142 0.000 0.950 937 E CA -0.372 56.121 56.400 0.156 0.000 0.776 937 E CB 1.784 31.551 29.700 0.112 0.000 1.094 937 E HN 0.413 nan 8.360 nan 0.000 0.402 938 L N 5.164 126.507 121.223 0.200 0.000 2.334 938 L HA 0.515 4.855 4.340 0.000 0.000 0.276 938 L C -2.126 174.811 176.870 0.111 0.000 1.014 938 L CA -2.442 52.481 54.840 0.139 0.000 0.815 938 L CB 1.482 43.634 42.059 0.155 0.000 1.268 938 L HN 0.331 nan 8.230 nan 0.000 0.428 939 P HA 0.094 nan 4.420 nan 0.000 0.275 939 P C -1.230 176.082 177.300 0.021 0.000 1.228 939 P CA -0.350 62.766 63.100 0.026 0.000 0.786 939 P CB 0.678 32.384 31.700 0.009 0.000 0.927 940 N N 1.382 120.080 118.700 -0.004 0.000 2.530 940 N HA 0.069 4.809 4.740 0.000 0.000 0.277 940 N C 1.306 176.807 175.510 -0.015 0.000 1.168 940 N CA -0.570 52.475 53.050 -0.009 0.000 0.979 940 N CB 0.882 39.353 38.487 -0.027 0.000 1.141 940 N HN 0.328 nan 8.380 nan 0.000 0.459 941 K N 1.106 121.499 120.400 -0.011 0.000 2.057 941 K HA -0.139 4.181 4.320 0.000 0.000 0.207 941 K C 0.574 177.163 176.600 -0.018 0.000 1.049 941 K CA 1.124 57.404 56.287 -0.013 0.000 0.931 941 K CB 0.057 32.553 32.500 -0.008 0.000 0.714 941 K HN 0.431 nan 8.250 nan 0.000 0.440 942 K N 1.894 122.282 120.400 -0.019 0.000 2.334 942 K HA 0.135 4.455 4.320 0.000 0.000 0.265 942 K C -0.998 175.580 176.600 -0.037 0.000 1.039 942 K CA -0.464 55.809 56.287 -0.024 0.000 0.920 942 K CB 1.046 33.538 32.500 -0.014 0.000 1.160 942 K HN -0.073 nan 8.250 nan 0.000 0.451 943 R N 3.391 123.860 120.500 -0.051 0.000 2.357 943 R HA 0.131 4.471 4.340 0.000 0.000 0.296 943 R C -0.673 175.581 176.300 -0.077 0.000 1.052 943 R CA -0.259 55.795 56.100 -0.076 0.000 0.988 943 R CB 0.919 31.166 30.300 -0.089 0.000 1.025 943 R HN 0.620 nan 8.270 nan 0.000 0.469 944 Q N 1.688 121.436 119.800 -0.086 0.000 2.256 944 Q HA 0.222 4.562 4.340 0.000 0.000 0.257 944 Q C -0.680 175.252 176.000 -0.113 0.000 0.936 944 Q CA -0.584 55.178 55.803 -0.069 0.000 0.903 944 Q CB 2.290 31.008 28.738 -0.033 0.000 1.263 944 Q HN 0.571 nan 8.270 nan 0.000 0.440 945 T N 1.558 116.020 114.554 -0.152 0.000 2.907 945 T HA 0.240 4.590 4.350 0.000 0.000 0.298 945 T C -0.195 174.325 174.700 -0.301 0.000 1.017 945 T CA -0.417 61.495 62.100 -0.314 0.000 1.118 945 T CB 0.639 69.161 68.868 -0.577 0.000 0.948 945 T HN 0.243 nan 8.240 nan 0.000 0.531 946 V N 4.232 124.002 119.914 -0.238 0.000 2.347 946 V HA 0.336 4.456 4.120 0.000 0.000 0.280 946 V C -0.829 175.189 176.094 -0.127 0.000 1.021 946 V CA -0.917 61.331 62.300 -0.087 0.000 0.847 946 V CB 0.132 31.970 31.823 0.025 0.000 0.990 946 V HN 0.757 nan 8.190 nan 0.000 0.444 947 Y N 3.371 123.718 120.300 0.078 0.000 2.323 947 Y HA 0.334 4.884 4.550 -0.000 0.000 0.331 947 Y C 1.116 177.021 175.900 0.008 0.000 1.092 947 Y CA -0.485 57.662 58.100 0.079 0.000 1.150 947 Y CB 1.392 39.885 38.460 0.056 0.000 1.200 947 Y HN 0.485 nan 8.280 nan 0.000 0.472 948 L N 2.718 124.014 121.223 0.121 0.000 1.997 948 L HA -0.299 4.041 4.340 0.000 0.000 0.216 948 L C 2.593 179.405 176.870 -0.097 0.000 1.074 948 L CA 1.936 56.759 54.840 -0.029 0.000 0.763 948 L CB -0.199 41.811 42.059 -0.083 0.000 0.890 948 L HN 0.805 nan 8.230 nan 0.000 0.434 949 R N -0.108 120.350 120.500 -0.069 0.000 2.139 949 R HA -0.264 4.076 4.340 0.000 0.000 0.243 949 R C 2.164 178.409 176.300 -0.091 0.000 1.145 949 R CA 1.995 58.014 56.100 -0.135 0.000 0.976 949 R CB -0.225 30.016 30.300 -0.097 0.000 0.866 949 R HN 0.515 nan 8.270 nan 0.000 0.449 950 E N -0.310 119.886 120.200 -0.006 0.000 2.072 950 E HA -0.136 4.214 4.350 0.000 0.000 0.191 950 E C 1.691 178.282 176.600 -0.016 0.000 0.985 950 E CA 1.403 57.809 56.400 0.009 0.000 0.801 950 E CB 0.196 29.941 29.700 0.075 0.000 0.750 950 E HN 0.258 nan 8.360 nan 0.000 0.452 951 V N 1.248 121.140 119.914 -0.037 0.000 2.719 951 V HA -0.176 3.944 4.120 0.000 0.000 0.252 951 V C 2.310 178.330 176.094 -0.123 0.000 1.065 951 V CA 0.956 63.225 62.300 -0.051 0.000 1.086 951 V CB -0.261 31.532 31.823 -0.051 0.000 0.700 951 V HN 0.322 nan 8.190 nan 0.000 0.467 952 L N -0.227 120.828 121.223 -0.279 0.000 2.217 952 L HA -0.099 4.241 4.340 0.000 0.000 0.211 952 L C 2.255 179.048 176.870 -0.129 0.000 1.107 952 L CA 1.363 55.899 54.840 -0.507 0.000 0.783 952 L CB -0.398 41.253 42.059 -0.680 0.000 0.919 952 L HN 0.362 nan 8.230 nan 0.000 0.442 953 D N 0.047 120.404 120.400 -0.071 0.000 2.347 953 D HA -0.087 4.553 4.640 0.000 0.000 0.215 953 D C 0.718 177.052 176.300 0.057 0.000 0.976 953 D CA 0.062 54.067 54.000 0.008 0.000 0.884 953 D CB 0.141 40.933 40.800 -0.014 0.000 0.915 953 D HN 0.230 nan 8.370 nan 0.000 0.526 954 N N -0.824 117.915 118.700 0.065 0.000 2.371 954 N HA 0.106 4.846 4.740 0.000 0.000 0.243 954 N C 0.862 176.440 175.510 0.113 0.000 1.287 954 N CA 0.453 53.551 53.050 0.079 0.000 0.911 954 N CB 1.069 39.599 38.487 0.072 0.000 1.142 954 N HN -0.088 nan 8.380 nan 0.000 0.451 955 A N 1.900 124.765 122.820 0.076 0.000 1.929 955 A HA -0.075 4.245 4.320 0.000 0.000 0.216 955 A C 1.778 179.396 177.584 0.057 0.000 1.176 955 A CA 1.115 53.188 52.037 0.060 0.000 0.628 955 A CB -0.393 18.628 19.000 0.035 0.000 0.816 955 A HN 0.776 nan 8.150 nan 0.000 0.444 956 K N -1.706 118.732 120.400 0.063 0.000 2.173 956 K HA -0.200 4.120 4.320 0.000 0.000 0.207 956 K C 1.624 178.265 176.600 0.068 0.000 1.046 956 K CA 1.805 58.123 56.287 0.052 0.000 0.929 956 K CB -0.277 32.256 32.500 0.055 0.000 0.720 956 K HN 0.589 nan 8.250 nan 0.000 0.453 957 F N 0.818 120.764 119.950 -0.006 0.000 2.243 957 F HA 0.041 4.568 4.527 0.000 0.000 0.287 957 F C 2.358 178.165 175.800 0.012 0.000 1.067 957 F CA 0.659 58.658 58.000 -0.002 0.000 1.304 957 F CB -0.004 38.994 39.000 -0.005 0.000 1.087 957 F HN -0.261 nan 8.300 nan 0.000 0.513 958 R N 0.548 121.082 120.500 0.057 0.000 2.091 958 R HA -0.172 4.168 4.340 0.000 0.000 0.238 958 R C 1.823 178.071 176.300 -0.087 0.000 1.136 958 R CA 2.084 58.184 56.100 0.000 0.000 0.959 958 R CB -0.459 29.899 30.300 0.097 0.000 0.856 958 R HN 0.289 nan 8.270 nan 0.000 0.437 959 D N 0.180 120.543 120.400 -0.061 0.000 2.117 959 D HA -0.126 4.514 4.640 0.000 0.000 0.198 959 D C 0.429 176.672 176.300 -0.095 0.000 0.982 959 D CA 0.632 54.597 54.000 -0.057 0.000 0.828 959 D CB -0.572 40.211 40.800 -0.029 0.000 0.967 959 D HN 0.079 nan 8.370 nan 0.000 0.464 960 N N 1.676 120.289 118.700 -0.144 0.000 2.359 960 N HA -0.056 4.684 4.740 0.000 0.000 0.261 960 N C -1.575 173.839 175.510 -0.160 0.000 1.267 960 N CA -0.633 52.326 53.050 -0.153 0.000 0.864 960 N CB 1.482 39.853 38.487 -0.193 0.000 1.063 960 N HN 0.016 nan 8.380 nan 0.000 0.474 961 P HA -0.049 nan 4.420 nan 0.000 0.227 961 P C 0.303 177.560 177.300 -0.071 0.000 1.161 961 P CA 0.266 63.325 63.100 -0.069 0.000 0.788 961 P CB 0.235 31.915 31.700 -0.033 0.000 0.822 962 S N 2.544 118.184 115.700 -0.100 0.000 2.498 962 S HA 0.116 4.586 4.470 0.000 0.000 0.281 962 S C -1.106 173.407 174.600 -0.144 0.000 1.265 962 S CA -1.165 56.962 58.200 -0.121 0.000 1.071 962 S CB 0.114 63.219 63.200 -0.159 0.000 0.894 962 S HN 0.042 nan 8.310 nan 0.000 0.491 963 P HA -0.010 nan 4.420 nan 0.000 0.234 963 P C 0.504 177.725 177.300 -0.132 0.000 1.167 963 P CA 0.701 63.758 63.100 -0.071 0.000 0.763 963 P CB 0.050 31.766 31.700 0.027 0.000 0.835 964 L N -0.445 120.623 121.223 -0.258 0.000 2.848 964 L HA 0.188 4.528 4.340 0.000 0.000 0.240 964 L C 0.369 177.151 176.870 -0.146 0.000 1.232 964 L CA -0.087 54.601 54.840 -0.252 0.000 1.031 964 L CB -0.375 41.394 42.059 -0.482 0.000 1.338 964 L HN -0.188 nan 8.230 nan 0.000 0.509 965 T N 1.713 116.209 114.554 -0.097 0.000 2.851 965 T HA 0.313 4.663 4.350 0.000 0.000 0.298 965 T C 0.084 174.867 174.700 0.140 0.000 0.977 965 T CA -0.093 61.983 62.100 -0.040 0.000 1.126 965 T CB 1.516 70.276 68.868 -0.181 0.000 0.916 965 T HN 0.125 nan 8.240 nan 0.000 0.529 966 V N 1.322 121.313 119.914 0.129 0.000 2.735 966 V HA 0.723 4.843 4.120 0.000 0.000 0.310 966 V C -0.226 175.944 176.094 0.125 0.000 1.061 966 V CA -1.095 61.297 62.300 0.154 0.000 0.913 966 V CB 1.707 33.573 31.823 0.071 0.000 1.005 966 V HN 0.550 nan 8.190 nan 0.000 0.428 967 V N 4.847 124.807 119.914 0.077 0.000 2.530 967 V HA 0.248 4.368 4.120 0.000 0.000 0.282 967 V C 0.793 176.885 176.094 -0.003 0.000 1.048 967 V CA 0.069 62.373 62.300 0.006 0.000 0.997 967 V CB 1.127 32.883 31.823 -0.110 0.000 0.987 967 V HN 0.862 nan 8.190 nan 0.000 0.477 968 L N 3.616 124.824 121.223 -0.024 0.000 2.349 968 L HA 0.596 4.936 4.340 0.000 0.000 0.200 968 L C 1.157 178.030 176.870 0.005 0.000 1.064 968 L CA 1.948 56.771 54.840 -0.027 0.000 0.821 968 L CB -0.442 41.540 42.059 -0.128 0.000 1.027 968 L HN 0.938 nan 8.230 nan 0.000 0.476 969 G N -1.315 107.479 108.800 -0.009 0.000 2.480 969 G HA2 0.069 4.029 3.960 0.000 0.000 0.109 969 G HA3 0.069 4.029 3.960 0.000 0.000 0.109 969 G C -1.068 173.840 174.900 0.014 0.000 1.172 969 G CA -0.681 44.433 45.100 0.023 0.000 1.091 969 G HN -0.076 nan 8.290 nan 0.000 0.464 970 K N 1.000 121.422 120.400 0.037 0.000 2.375 970 K HA 0.529 4.849 4.320 0.000 0.000 0.249 970 K C -0.936 175.649 176.600 -0.026 0.000 0.942 970 K CA -0.574 55.733 56.287 0.034 0.000 0.806 970 K CB 2.123 34.678 32.500 0.091 0.000 1.227 970 K HN 0.747 nan 8.250 nan 0.000 0.430 971 D N 0.676 121.051 120.400 -0.041 0.000 2.414 971 D HA 0.020 4.660 4.640 0.000 0.000 0.251 971 D C 1.310 177.575 176.300 -0.059 0.000 1.252 971 D CA -0.434 53.504 54.000 -0.104 0.000 0.999 971 D CB 0.349 41.113 40.800 -0.060 0.000 1.093 971 D HN 0.559 nan 8.370 nan 0.000 0.515 972 I N -3.659 116.865 120.570 -0.077 0.000 2.530 972 I HA -0.089 4.081 4.170 0.000 0.000 0.257 972 I C 1.652 177.830 176.117 0.102 0.000 1.179 972 I CA 1.433 62.780 61.300 0.079 0.000 1.440 972 I CB -0.488 37.547 38.000 0.059 0.000 1.087 972 I HN 0.333 nan 8.210 nan 0.000 0.440 973 A N 0.911 123.762 122.820 0.052 0.000 2.308 973 A HA 0.519 4.839 4.320 0.000 0.000 0.217 973 A C 1.805 179.418 177.584 0.048 0.000 1.216 973 A CA 0.452 52.515 52.037 0.043 0.000 0.864 973 A CB -0.506 18.508 19.000 0.023 0.000 0.902 973 A HN 0.818 nan 8.150 nan 0.000 0.499 974 G N -0.810 108.031 108.800 0.068 0.000 2.157 974 G HA2 -0.182 3.778 3.960 0.000 0.000 0.239 974 G HA3 -0.182 3.778 3.960 0.000 0.000 0.239 974 G C -0.175 174.753 174.900 0.046 0.000 0.982 974 G CA 0.158 45.298 45.100 0.066 0.000 0.650 974 G HN 0.512 nan 8.290 nan 0.000 0.527 975 E N 1.795 122.013 120.200 0.031 0.000 2.249 975 E HA 0.308 4.658 4.350 0.000 0.000 0.280 975 E C -2.151 174.457 176.600 0.014 0.000 1.016 975 E CA -1.738 54.674 56.400 0.020 0.000 0.830 975 E CB 1.642 31.347 29.700 0.010 0.000 1.081 975 E HN 0.206 nan 8.360 nan 0.000 0.395 976 P HA -0.040 nan 4.420 nan 0.000 0.265 976 P C -0.518 176.779 177.300 -0.004 0.000 1.193 976 P CA 0.162 63.271 63.100 0.014 0.000 0.765 976 P CB 0.610 32.325 31.700 0.026 0.000 0.823 977 V N 4.744 124.646 119.914 -0.021 0.000 2.380 977 V HA 0.213 4.333 4.120 0.000 0.000 0.286 977 V C 0.447 176.506 176.094 -0.059 0.000 1.015 977 V CA -0.599 61.667 62.300 -0.057 0.000 0.834 977 V CB 1.811 33.572 31.823 -0.103 0.000 1.009 977 V HN 0.301 nan 8.190 nan 0.000 0.428 978 V N 2.938 122.830 119.914 -0.038 0.000 2.881 978 V HA 1.001 5.121 4.120 0.000 0.000 0.316 978 V C 0.320 176.370 176.094 -0.073 0.000 1.070 978 V CA -0.528 61.770 62.300 -0.005 0.000 0.976 978 V CB 1.827 33.703 31.823 0.090 0.000 1.038 978 V HN 0.966 nan 8.190 nan 0.000 0.446 979 A N 1.075 123.855 122.820 -0.066 0.000 2.527 979 A HA 0.757 5.077 4.320 0.000 0.000 0.293 979 A C -1.575 175.979 177.584 -0.049 0.000 1.117 979 A CA -0.468 51.511 52.037 -0.095 0.000 0.723 979 A CB 1.872 20.764 19.000 -0.181 0.000 1.313 979 A HN 0.734 nan 8.150 nan 0.000 0.411 980 D N 1.302 121.670 120.400 -0.053 0.000 2.414 980 D HA 0.256 4.896 4.640 0.000 0.000 0.232 980 D C 0.911 177.152 176.300 -0.098 0.000 1.070 980 D CA -0.375 53.574 54.000 -0.085 0.000 0.839 980 D CB 1.192 41.937 40.800 -0.092 0.000 1.079 980 D HN 0.430 nan 8.370 nan 0.000 0.521 981 L N 3.472 124.615 121.223 -0.132 0.000 2.129 981 L HA -0.211 4.129 4.340 0.000 0.000 0.212 981 L C 1.930 178.629 176.870 -0.284 0.000 1.087 981 L CA 1.557 56.305 54.840 -0.153 0.000 0.757 981 L CB -0.024 41.934 42.059 -0.168 0.000 0.896 981 L HN 0.510 nan 8.230 nan 0.000 0.434 982 A N -0.363 122.209 122.820 -0.413 0.000 1.978 982 A HA -0.199 4.121 4.320 0.000 0.000 0.220 982 A C 2.118 179.630 177.584 -0.121 0.000 1.170 982 A CA 1.524 53.292 52.037 -0.448 0.000 0.636 982 A CB -0.239 18.515 19.000 -0.410 0.000 0.810 982 A HN 0.405 nan 8.150 nan 0.000 0.448 983 K N -1.036 119.313 120.400 -0.086 0.000 2.379 983 K HA 0.217 4.537 4.320 0.000 0.000 0.194 983 K C 1.701 178.297 176.600 -0.006 0.000 1.031 983 K CA 0.262 56.535 56.287 -0.024 0.000 1.037 983 K CB -0.113 32.379 32.500 -0.014 0.000 0.824 983 K HN 0.531 nan 8.250 nan 0.000 0.516 984 M N 1.490 121.085 119.600 -0.008 0.000 2.065 984 M HA -0.132 4.348 4.480 0.000 0.000 0.259 984 M C -0.715 175.573 176.300 -0.020 0.000 1.069 984 M CA 2.094 57.403 55.300 0.015 0.000 1.110 984 M CB -0.996 31.630 32.600 0.043 0.000 1.328 984 M HN -0.078 nan 8.290 nan 0.000 0.405 985 P HA 0.122 nan 4.420 nan 0.000 0.275 985 P C -0.615 176.502 177.300 -0.306 0.000 1.310 985 P CA 0.759 63.763 63.100 -0.159 0.000 0.904 985 P CB 0.423 31.976 31.700 -0.245 0.000 1.381 986 H N 0.372 119.500 119.070 0.098 0.000 2.851 986 H HA 0.512 5.068 4.556 0.000 0.000 0.372 986 H C -0.178 175.166 175.328 0.026 0.000 1.158 986 H CA -0.749 55.337 56.048 0.063 0.000 1.159 986 H CB 2.516 32.289 29.762 0.018 0.000 1.757 986 H HN -0.032 nan 8.280 nan 0.000 0.546 987 L N 0.502 121.809 121.223 0.139 0.000 2.371 987 L HA 0.675 5.015 4.340 0.000 0.000 0.262 987 L C -1.562 175.318 176.870 0.018 0.000 1.006 987 L CA -0.974 53.907 54.840 0.067 0.000 0.818 987 L CB 2.941 45.052 42.059 0.086 0.000 1.354 987 L HN 0.439 nan 8.230 nan 0.000 0.415 988 L N 3.180 124.401 121.223 -0.003 0.000 2.333 988 L HA 0.712 5.052 4.340 0.000 0.000 0.280 988 L C -1.331 175.562 176.870 0.039 0.000 1.004 988 L CA -0.703 54.124 54.840 -0.022 0.000 0.820 988 L CB 1.920 43.956 42.059 -0.038 0.000 1.247 988 L HN 0.583 nan 8.230 nan 0.000 0.416 989 V N 4.426 124.391 119.914 0.084 0.000 2.448 989 V HA 0.854 4.974 4.120 0.000 0.000 0.295 989 V C -0.105 176.107 176.094 0.197 0.000 1.025 989 V CA -0.358 62.040 62.300 0.163 0.000 0.859 989 V CB 1.416 33.370 31.823 0.219 0.000 0.988 989 V HN 0.880 nan 8.190 nan 0.000 0.431 990 A N 3.292 126.245 122.820 0.221 0.000 2.556 990 A HA 1.072 5.392 4.320 0.000 0.000 0.294 990 A C -0.173 177.568 177.584 0.262 0.000 1.091 990 A CA -0.078 52.086 52.037 0.210 0.000 0.704 990 A CB 2.254 21.346 19.000 0.154 0.000 1.300 990 A HN 1.635 nan 8.150 nan 0.000 0.406 991 G N -0.742 108.181 108.800 0.204 0.000 2.328 991 G HA2 0.541 4.501 3.960 0.000 0.000 0.295 991 G HA3 0.541 4.501 3.960 0.000 0.000 0.295 991 G C -0.541 174.429 174.900 0.117 0.000 1.413 991 G CA 0.131 45.352 45.100 0.202 0.000 0.817 991 G HN 0.898 nan 8.290 nan 0.000 0.546 992 T N 0.011 114.622 114.554 0.095 0.000 2.729 992 T HA 0.398 4.748 4.350 0.000 0.000 0.298 992 T C 2.016 176.737 174.700 0.034 0.000 1.013 992 T CA 0.588 62.722 62.100 0.057 0.000 0.957 992 T CB 0.670 69.569 68.868 0.051 0.000 1.130 992 T HN 0.547 nan 8.240 nan 0.000 0.526 993 T N 1.037 115.604 114.554 0.022 0.000 2.720 993 T HA -0.032 4.318 4.350 0.000 0.000 0.268 993 T C 1.697 176.394 174.700 -0.004 0.000 1.037 993 T CA 1.485 63.590 62.100 0.008 0.000 1.144 993 T CB -0.425 68.448 68.868 0.008 0.000 0.864 993 T HN 0.750 nan 8.240 nan 0.000 0.444 994 G N 0.553 109.355 108.800 0.002 0.000 3.690 994 G HA2 0.262 4.222 3.960 0.000 0.000 0.283 994 G HA3 0.262 4.222 3.960 0.000 0.000 0.283 994 G C 1.287 176.185 174.900 -0.004 0.000 1.057 994 G CA 0.364 45.461 45.100 -0.005 0.000 0.821 994 G HN 0.520 nan 8.290 nan 0.000 0.526 995 S N -0.941 114.758 115.700 -0.002 0.000 2.461 995 S HA 0.342 4.812 4.470 0.000 0.000 0.228 995 S C 1.778 176.339 174.600 -0.063 0.000 1.005 995 S CA 1.007 59.228 58.200 0.035 0.000 0.942 995 S CB 0.173 63.447 63.200 0.124 0.000 0.776 995 S HN 1.311 nan 8.310 nan 0.000 0.514 996 G N 0.158 108.793 108.800 -0.275 0.000 2.198 996 G HA2 0.005 3.965 3.960 0.000 0.000 0.156 996 G HA3 0.005 3.965 3.960 0.000 0.000 0.156 996 G C 0.860 175.056 174.900 -1.173 0.000 1.012 996 G CA 0.081 44.851 45.100 -0.551 0.000 0.692 996 G HN 0.845 nan 8.290 nan 0.000 0.492 997 A N 1.174 123.398 122.820 -0.993 0.000 1.883 997 A HA 0.117 4.437 4.320 0.000 0.000 0.217 997 A C 2.792 180.172 177.584 -0.340 0.000 1.186 997 A CA 3.087 54.688 52.037 -0.725 0.000 0.624 997 A CB -0.879 18.035 19.000 -0.144 0.000 0.822 997 A HN 1.654 nan 8.150 nan 0.000 0.444 998 S N -0.261 115.308 115.700 -0.218 0.000 2.348 998 S HA -0.143 4.327 4.470 0.000 0.000 0.221 998 S C 1.763 176.298 174.600 -0.108 0.000 1.033 998 S CA 1.535 59.671 58.200 -0.107 0.000 1.010 998 S CB -1.181 61.981 63.200 -0.064 0.000 0.891 998 S HN 0.296 nan 8.310 nan 0.000 0.442 999 V N 2.718 122.543 119.914 -0.148 0.000 2.392 999 V HA -0.088 4.032 4.120 0.000 0.000 0.249 999 V C 2.941 178.977 176.094 -0.096 0.000 1.059 999 V CA 1.846 64.072 62.300 -0.123 0.000 1.051 999 V CB -1.865 29.893 31.823 -0.109 0.000 0.658 999 V HN 0.669 nan 8.190 nan 0.000 0.455 1000 G N -0.063 108.651 108.800 -0.144 0.000 2.446 1000 G HA2 -0.229 3.731 3.960 0.000 0.000 0.217 1000 G HA3 -0.229 3.731 3.960 0.000 0.000 0.217 1000 G C 1.678 176.619 174.900 0.069 0.000 1.168 1000 G CA 1.306 46.431 45.100 0.042 0.000 0.771 1000 G HN 0.385 nan 8.290 nan 0.000 0.551 1001 V N 1.581 121.513 119.914 0.031 0.000 2.332 1001 V HA -0.214 3.906 4.120 0.000 0.000 0.248 1001 V C 2.678 178.769 176.094 -0.004 0.000 1.055 1001 V CA 1.907 64.222 62.300 0.025 0.000 1.038 1001 V CB -0.522 31.306 31.823 0.009 0.000 0.651 1001 V HN 0.326 nan 8.190 nan 0.000 0.450 1002 N N 0.481 119.186 118.700 0.008 0.000 2.205 1002 N HA -0.154 4.586 4.740 0.000 0.000 0.186 1002 N C 1.830 177.354 175.510 0.023 0.000 1.015 1002 N CA 1.665 54.745 53.050 0.049 0.000 0.862 1002 N CB -0.399 38.110 38.487 0.037 0.000 0.986 1002 N HN 0.532 nan 8.380 nan 0.000 0.429 1003 A N 0.695 123.515 122.820 -0.000 0.000 1.930 1003 A HA -0.029 4.291 4.320 0.000 0.000 0.217 1003 A C 2.318 179.907 177.584 0.008 0.000 1.175 1003 A CA 0.933 52.966 52.037 -0.006 0.000 0.627 1003 A CB -0.324 18.675 19.000 -0.002 0.000 0.815 1003 A HN 0.176 nan 8.150 nan 0.000 0.443 1004 M N -0.725 118.885 119.600 0.017 0.000 2.099 1004 M HA -0.056 4.424 4.480 0.000 0.000 0.262 1004 M C 2.089 178.389 176.300 0.000 0.000 1.067 1004 M CA 1.537 56.851 55.300 0.024 0.000 1.124 1004 M CB -0.445 32.172 32.600 0.029 0.000 1.353 1004 M HN 0.384 nan 8.290 nan 0.000 0.410 1005 I N -0.009 120.506 120.570 -0.091 0.000 2.179 1005 I HA -0.303 3.867 4.170 0.000 0.000 0.242 1005 I C 2.174 178.242 176.117 -0.081 0.000 1.088 1005 I CA 1.103 62.258 61.300 -0.241 0.000 1.357 1005 I CB -0.345 37.301 38.000 -0.591 0.000 1.051 1005 I HN 0.221 nan 8.210 nan 0.000 0.409 1006 L N 0.122 121.368 121.223 0.039 0.000 2.083 1006 L HA -0.181 4.159 4.340 0.000 0.000 0.209 1006 L C 2.656 179.679 176.870 0.256 0.000 1.083 1006 L CA 1.551 56.495 54.840 0.175 0.000 0.752 1006 L CB -0.761 41.415 42.059 0.195 0.000 0.899 1006 L HN 0.100 nan 8.230 nan 0.000 0.433 1007 S N -0.878 114.905 115.700 0.139 0.000 2.353 1007 S HA -0.243 4.227 4.470 0.000 0.000 0.222 1007 S C 1.964 176.774 174.600 0.349 0.000 1.035 1007 S CA 1.761 60.062 58.200 0.169 0.000 1.025 1007 S CB -0.266 63.023 63.200 0.150 0.000 0.902 1007 S HN 0.379 nan 8.310 nan 0.000 0.440 1008 M N 0.663 120.402 119.600 0.231 0.000 2.159 1008 M HA -0.028 4.452 4.480 0.000 0.000 0.263 1008 M C 1.759 178.148 176.300 0.148 0.000 1.063 1008 M CA 1.172 56.593 55.300 0.200 0.000 1.110 1008 M CB -0.519 32.206 32.600 0.207 0.000 1.374 1008 M HN 0.243 nan 8.290 nan 0.000 0.411 1009 L N -1.573 119.695 121.223 0.075 0.000 2.456 1009 L HA -0.167 4.173 4.340 0.000 0.000 0.224 1009 L C 1.267 178.277 176.870 0.234 0.000 1.148 1009 L CA 0.868 55.689 54.840 -0.031 0.000 0.825 1009 L CB -0.481 41.522 42.059 -0.094 0.000 0.937 1009 L HN 0.288 nan 8.230 nan 0.000 0.450 1010 Y N -0.809 119.668 120.300 0.294 0.000 2.493 1010 Y HA 0.029 4.579 4.550 -0.000 0.000 0.275 1010 Y C 2.040 178.159 175.900 0.364 0.000 1.183 1010 Y CA 0.305 58.600 58.100 0.325 0.000 1.258 1010 Y CB 0.322 38.914 38.460 0.220 0.000 1.108 1010 Y HN 0.048 nan 8.280 nan 0.000 0.521 1011 K N -1.252 119.394 120.400 0.410 0.000 2.611 1011 K HA 0.387 4.707 4.320 0.000 0.000 0.209 1011 K C -0.130 176.600 176.600 0.215 0.000 1.658 1011 K CA 0.280 56.739 56.287 0.287 0.000 1.080 1011 K CB 0.443 33.063 32.500 0.200 0.000 1.430 1011 K HN -0.035 nan 8.250 nan 0.000 0.596 1012 A N 1.790 124.740 122.820 0.217 0.000 2.324 1012 A HA 0.579 4.899 4.320 0.000 0.000 0.330 1012 A C -0.745 177.003 177.584 0.273 0.000 1.165 1012 A CA -0.630 51.515 52.037 0.180 0.000 0.813 1012 A CB 1.203 20.258 19.000 0.092 0.000 1.197 1012 A HN 0.163 nan 8.150 nan 0.000 0.484 1013 Q N 1.103 121.033 119.800 0.218 0.000 2.205 1013 Q HA 0.301 4.641 4.340 0.000 0.000 0.249 1013 Q C -1.864 174.139 176.000 0.005 0.000 0.948 1013 Q CA -2.063 53.861 55.803 0.200 0.000 0.895 1013 Q CB 0.880 29.718 28.738 0.167 0.000 1.249 1013 Q HN 0.378 nan 8.270 nan 0.000 0.458 1014 P HA -0.248 nan 4.420 nan 0.000 0.217 1014 P C 0.945 178.185 177.300 -0.100 0.000 1.151 1014 P CA 1.854 64.762 63.100 -0.319 0.000 0.849 1014 P CB 0.221 31.704 31.700 -0.363 0.000 0.787 1015 E N -0.836 119.338 120.200 -0.044 0.000 2.204 1015 E HA -0.195 4.155 4.350 0.000 0.000 0.195 1015 E C 1.119 177.723 176.600 0.007 0.000 0.990 1015 E CA 1.199 57.593 56.400 -0.011 0.000 0.821 1015 E CB -0.696 29.008 29.700 0.006 0.000 0.750 1015 E HN 0.263 nan 8.360 nan 0.000 0.477 1016 D N 0.718 121.139 120.400 0.034 0.000 2.149 1016 D HA 0.032 4.672 4.640 0.000 0.000 0.206 1016 D C 0.394 176.752 176.300 0.097 0.000 0.967 1016 D CA 0.791 54.840 54.000 0.082 0.000 0.848 1016 D CB 0.596 41.462 40.800 0.110 0.000 0.998 1016 D HN 0.046 nan 8.370 nan 0.000 0.474 1017 V N 1.434 121.353 119.914 0.009 0.000 2.760 1017 V HA 0.424 4.544 4.120 0.000 0.000 0.309 1017 V C -0.242 175.685 176.094 -0.278 0.000 1.077 1017 V CA -0.927 61.294 62.300 -0.132 0.000 0.910 1017 V CB 2.964 34.617 31.823 -0.283 0.000 1.008 1017 V HN -0.055 nan 8.190 nan 0.000 0.424 1018 R N 2.332 122.631 120.500 -0.335 0.000 2.740 1018 R HA 0.725 5.065 4.340 0.000 0.000 0.282 1018 R C -1.542 174.500 176.300 -0.429 0.000 0.969 1018 R CA -0.494 55.438 56.100 -0.280 0.000 0.918 1018 R CB 2.396 32.650 30.300 -0.077 0.000 1.175 1018 R HN 0.600 nan 8.270 nan 0.000 0.464 1019 F N 1.082 121.049 119.950 0.028 0.000 2.579 1019 F HA 0.608 5.135 4.527 0.000 0.000 0.324 1019 F C 0.434 176.220 175.800 -0.024 0.000 1.058 1019 F CA -0.886 57.108 58.000 -0.009 0.000 0.944 1019 F CB 1.734 40.694 39.000 -0.067 0.000 1.245 1019 F HN 0.136 nan 8.300 nan 0.000 0.477 1020 I N 2.947 123.629 120.570 0.187 0.000 2.503 1020 I HA 0.320 4.490 4.170 0.000 0.000 0.282 1020 I C -1.162 174.988 176.117 0.055 0.000 1.059 1020 I CA -0.331 61.005 61.300 0.059 0.000 1.081 1020 I CB 1.442 39.451 38.000 0.014 0.000 1.210 1020 I HN 0.453 nan 8.210 nan 0.000 0.450 1021 M N 6.613 126.222 119.600 0.016 0.000 2.129 1021 M HA 0.503 4.983 4.480 0.000 0.000 0.348 1021 M C -0.754 175.542 176.300 -0.007 0.000 1.116 1021 M CA -0.676 54.617 55.300 -0.012 0.000 1.022 1021 M CB 1.736 34.305 32.600 -0.052 0.000 1.599 1021 M HN 0.273 nan 8.290 nan 0.000 0.449 1022 I N 2.758 123.332 120.570 0.007 0.000 2.312 1022 I HA 0.284 4.454 4.170 0.000 0.000 0.290 1022 I C -0.529 175.602 176.117 0.023 0.000 1.008 1022 I CA -0.083 61.226 61.300 0.016 0.000 1.226 1022 I CB 0.853 38.873 38.000 0.034 0.000 1.371 1022 I HN 0.613 nan 8.210 nan 0.000 0.468 1023 D N 9.296 129.706 120.400 0.018 0.000 2.330 1023 D HA 0.322 4.962 4.640 0.000 0.000 0.249 1023 D C -1.797 174.513 176.300 0.018 0.000 1.306 1023 D CA -1.521 52.493 54.000 0.023 0.000 0.956 1023 D CB 2.235 43.048 40.800 0.023 0.000 1.261 1023 D HN 0.174 nan 8.370 nan 0.000 0.544 1024 P HA -0.072 nan 4.420 nan 0.000 0.222 1024 P C 1.114 178.420 177.300 0.010 0.000 1.153 1024 P CA 0.454 63.562 63.100 0.013 0.000 0.798 1024 P CB 0.642 32.350 31.700 0.014 0.000 0.796 1025 K N -0.443 119.965 120.400 0.014 0.000 2.486 1025 K HA 0.143 4.463 4.320 0.000 0.000 0.194 1025 K C 1.025 177.632 176.600 0.011 0.000 1.033 1025 K CA 0.173 56.466 56.287 0.011 0.000 1.004 1025 K CB -0.723 31.786 32.500 0.014 0.000 0.798 1025 K HN -0.137 nan 8.250 nan 0.000 0.495 1026 M N -0.063 119.544 119.600 0.012 0.000 2.393 1026 M HA -0.294 4.186 4.480 0.000 0.000 0.201 1026 M C -0.087 176.219 176.300 0.011 0.000 0.403 1026 M CA 0.586 55.892 55.300 0.010 0.000 0.471 1026 M CB -1.297 31.308 32.600 0.007 0.000 1.669 1026 M HN 0.226 nan 8.290 nan 0.000 0.864 1027 L N -3.469 117.762 121.223 0.014 0.000 3.122 1027 L HA 0.102 4.442 4.340 0.000 0.000 0.296 1027 L C 1.821 178.697 176.870 0.010 0.000 1.040 1027 L CA 0.092 54.939 54.840 0.011 0.000 1.164 1027 L CB 0.021 42.087 42.059 0.011 0.000 1.990 1027 L HN 0.109 nan 8.230 nan 0.000 0.579 1028 E N 1.010 121.222 120.200 0.020 0.000 2.076 1028 E HA 0.001 4.351 4.350 0.000 0.000 0.190 1028 E C 2.033 178.671 176.600 0.063 0.000 0.979 1028 E CA 1.219 57.635 56.400 0.028 0.000 0.807 1028 E CB 0.212 29.930 29.700 0.031 0.000 0.761 1028 E HN 0.300 nan 8.360 nan 0.000 0.454 1029 L N 0.256 121.531 121.223 0.087 0.000 2.416 1029 L HA 0.059 4.399 4.340 0.000 0.000 0.216 1029 L C 2.162 179.126 176.870 0.157 0.000 1.098 1029 L CA 0.777 55.726 54.840 0.182 0.000 0.840 1029 L CB -0.287 41.824 42.059 0.085 0.000 0.981 1029 L HN 0.152 nan 8.230 nan 0.000 0.462 1030 S N -0.510 115.221 115.700 0.052 0.000 2.465 1030 S HA -0.166 4.304 4.470 0.000 0.000 0.241 1030 S C 1.834 176.410 174.600 -0.041 0.000 1.000 1030 S CA 1.058 59.269 58.200 0.018 0.000 0.964 1030 S CB -0.654 62.549 63.200 0.006 0.000 0.763 1030 S HN 0.254 nan 8.310 nan 0.000 0.512 1031 V N 0.320 120.149 119.914 -0.142 0.000 3.078 1031 V HA 0.005 4.125 4.120 0.000 0.000 0.265 1031 V C 1.235 177.050 176.094 -0.464 0.000 1.122 1031 V CA 1.152 63.230 62.300 -0.369 0.000 1.141 1031 V CB -0.809 30.669 31.823 -0.574 0.000 0.735 1031 V HN 0.705 nan 8.190 nan 0.000 0.498 1032 Y N -0.196 120.029 120.300 -0.125 0.000 2.466 1032 Y HA 0.317 4.867 4.550 0.000 0.000 0.272 1032 Y C 1.144 177.019 175.900 -0.042 0.000 1.169 1032 Y CA -0.208 57.828 58.100 -0.108 0.000 1.285 1032 Y CB 0.074 38.441 38.460 -0.155 0.000 1.078 1032 Y HN 0.237 nan 8.280 nan 0.000 0.523 1033 E N 0.780 121.028 120.200 0.080 0.000 2.558 1033 E HA 0.215 4.565 4.350 0.000 0.000 0.255 1033 E C 1.167 177.826 176.600 0.098 0.000 0.968 1033 E CA 1.220 57.676 56.400 0.092 0.000 0.939 1033 E CB 0.010 29.746 29.700 0.059 0.000 0.921 1033 E HN 0.529 nan 8.360 nan 0.000 0.477 1034 G N 3.883 112.768 108.800 0.142 0.000 2.259 1034 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 1034 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 1034 G C 0.257 175.232 174.900 0.126 0.000 1.001 1034 G CA -0.191 44.979 45.100 0.115 0.000 0.627 1034 G HN 0.570 nan 8.290 nan 0.000 0.501 1035 I N 3.914 124.583 120.570 0.165 0.000 2.752 1035 I HA 0.174 4.344 4.170 0.000 0.000 0.289 1035 I C 0.127 176.353 176.117 0.181 0.000 1.197 1035 I CA -1.090 60.337 61.300 0.213 0.000 1.432 1035 I CB 0.957 39.081 38.000 0.206 0.000 1.359 1035 I HN 0.033 nan 8.210 nan 0.000 0.571 1036 P HA -0.208 nan 4.420 nan 0.000 0.223 1036 P C 1.029 178.259 177.300 -0.116 0.000 1.144 1036 P CA 1.662 64.755 63.100 -0.012 0.000 0.783 1036 P CB -0.134 31.564 31.700 -0.003 0.000 0.771 1037 H N -0.524 118.532 119.070 -0.024 0.000 2.470 1037 H HA 0.113 4.669 4.556 -0.000 0.000 0.289 1037 H C 1.172 176.566 175.328 0.110 0.000 1.033 1037 H CA -0.032 56.019 56.048 0.004 0.000 1.331 1037 H CB -0.219 29.585 29.762 0.070 0.000 1.414 1037 H HN 0.180 nan 8.280 nan 0.000 0.545 1038 L N 2.008 123.399 121.223 0.280 0.000 2.540 1038 L HA -0.115 4.225 4.340 0.000 0.000 0.276 1038 L C 1.607 178.614 176.870 0.229 0.000 1.212 1038 L CA 0.061 55.058 54.840 0.262 0.000 0.893 1038 L CB 0.866 43.100 42.059 0.293 0.000 1.138 1038 L HN 0.206 nan 8.230 nan 0.000 0.491 1039 L N 1.796 123.095 121.223 0.126 0.000 2.270 1039 L HA 0.044 4.384 4.340 0.000 0.000 0.210 1039 L C 0.975 177.858 176.870 0.021 0.000 1.104 1039 L CA 0.809 55.673 54.840 0.041 0.000 0.804 1039 L CB 0.254 42.243 42.059 -0.118 0.000 0.937 1039 L HN 0.748 nan 8.230 nan 0.000 0.450 1040 T N -1.491 112.998 114.554 -0.108 0.000 2.792 1040 T HA 0.224 4.574 4.350 0.000 0.000 0.303 1040 T C -1.209 173.156 174.700 -0.558 0.000 1.310 1040 T CA -0.719 61.077 62.100 -0.507 0.000 1.007 1040 T CB 1.389 70.016 68.868 -0.401 0.000 1.335 1040 T HN 0.043 nan 8.240 nan 0.000 0.504 1041 E N 1.025 120.741 120.200 -0.805 0.000 2.404 1041 E HA 0.289 4.639 4.350 0.000 0.000 0.261 1041 E C -0.123 176.369 176.600 -0.179 0.000 1.074 1041 E CA -0.507 55.656 56.400 -0.396 0.000 0.917 1041 E CB 0.540 30.037 29.700 -0.338 0.000 0.965 1041 E HN 0.388 nan 8.360 nan 0.000 0.433 1042 V N 3.142 123.016 119.914 -0.066 0.000 2.555 1042 V HA -0.099 4.021 4.120 0.000 0.000 0.299 1042 V C 0.167 176.231 176.094 -0.050 0.000 1.012 1042 V CA 0.218 62.498 62.300 -0.034 0.000 1.180 1042 V CB -0.211 31.616 31.823 0.005 0.000 0.887 1042 V HN 0.375 nan 8.190 nan 0.000 0.476 1043 V N 5.843 125.726 119.914 -0.051 0.000 2.479 1043 V HA 0.074 4.194 4.120 0.000 0.000 0.281 1043 V C 1.189 177.270 176.094 -0.022 0.000 1.031 1043 V CA 0.399 62.671 62.300 -0.046 0.000 1.038 1043 V CB 0.609 32.406 31.823 -0.043 0.000 0.981 1043 V HN 1.059 nan 8.190 nan 0.000 0.478 1044 T N 2.508 117.049 114.554 -0.022 0.000 3.021 1044 T HA 0.020 4.370 4.350 0.000 0.000 0.245 1044 T C 0.634 175.331 174.700 -0.006 0.000 1.028 1044 T CA 0.287 62.381 62.100 -0.010 0.000 1.139 1044 T CB -0.000 68.861 68.868 -0.011 0.000 0.884 1044 T HN 0.796 nan 8.240 nan 0.000 0.457 1045 D N 0.165 120.558 120.400 -0.011 0.000 2.350 1045 D HA 0.200 4.840 4.640 0.000 0.000 0.249 1045 D C 1.072 177.371 176.300 -0.001 0.000 1.119 1045 D CA -0.142 53.854 54.000 -0.006 0.000 0.886 1045 D CB 0.852 41.646 40.800 -0.009 0.000 1.195 1045 D HN -0.164 nan 8.370 nan 0.000 0.437 1046 M N 2.697 122.299 119.600 0.003 0.000 2.229 1046 M HA -0.029 4.451 4.480 0.000 0.000 0.264 1046 M C 1.571 177.877 176.300 0.011 0.000 1.063 1046 M CA 1.595 56.901 55.300 0.010 0.000 1.114 1046 M CB -0.030 32.575 32.600 0.008 0.000 1.387 1046 M HN 0.398 nan 8.290 nan 0.000 0.420 1047 K N -0.521 119.883 120.400 0.007 0.000 2.148 1047 K HA -0.115 4.205 4.320 0.000 0.000 0.204 1047 K C 1.331 177.937 176.600 0.009 0.000 1.050 1047 K CA 1.218 57.511 56.287 0.009 0.000 0.942 1047 K CB -0.179 32.325 32.500 0.006 0.000 0.724 1047 K HN 0.260 nan 8.250 nan 0.000 0.446 1048 D N 0.888 121.289 120.400 0.001 0.000 2.183 1048 D HA -0.066 4.574 4.640 0.000 0.000 0.203 1048 D C 1.831 178.131 176.300 0.000 0.000 0.969 1048 D CA 1.027 55.023 54.000 -0.006 0.000 0.842 1048 D CB -0.124 40.662 40.800 -0.023 0.000 0.957 1048 D HN 0.183 nan 8.370 nan 0.000 0.484 1049 A N 1.100 123.925 122.820 0.008 0.000 1.858 1049 A HA -0.080 4.240 4.320 0.000 0.000 0.216 1049 A C 2.318 179.921 177.584 0.033 0.000 1.190 1049 A CA 2.286 54.334 52.037 0.019 0.000 0.617 1049 A CB -0.945 18.072 19.000 0.029 0.000 0.827 1049 A HN 0.224 nan 8.150 nan 0.000 0.443 1050 A N -0.028 122.811 122.820 0.033 0.000 1.940 1050 A HA -0.258 4.062 4.320 0.000 0.000 0.219 1050 A C 1.924 179.536 177.584 0.046 0.000 1.176 1050 A CA 1.897 53.957 52.037 0.039 0.000 0.631 1050 A CB -0.928 18.091 19.000 0.032 0.000 0.814 1050 A HN 0.742 nan 8.150 nan 0.000 0.446 1051 N N -0.326 118.400 118.700 0.043 0.000 2.188 1051 N HA -0.039 4.701 4.740 0.000 0.000 0.184 1051 N C 1.968 177.536 175.510 0.097 0.000 1.018 1051 N CA 0.831 53.917 53.050 0.060 0.000 0.858 1051 N CB -0.213 38.299 38.487 0.042 0.000 0.989 1051 N HN 0.505 nan 8.380 nan 0.000 0.426 1052 A N 1.234 124.093 122.820 0.066 0.000 1.902 1052 A HA -0.109 4.211 4.320 0.000 0.000 0.217 1052 A C 2.101 179.784 177.584 0.164 0.000 1.181 1052 A CA 1.059 53.142 52.037 0.078 0.000 0.623 1052 A CB -0.643 18.364 19.000 0.011 0.000 0.818 1052 A HN 0.180 nan 8.150 nan 0.000 0.443 1053 L N -1.387 119.902 121.223 0.110 0.000 2.056 1053 L HA -0.128 4.212 4.340 0.000 0.000 0.207 1053 L C 2.815 179.747 176.870 0.103 0.000 1.078 1053 L CA 1.255 56.153 54.840 0.097 0.000 0.749 1053 L CB -0.531 41.561 42.059 0.054 0.000 0.901 1053 L HN 0.350 nan 8.230 nan 0.000 0.433 1054 R N -0.275 120.284 120.500 0.100 0.000 2.105 1054 R HA -0.241 4.099 4.340 0.000 0.000 0.239 1054 R C 2.168 178.526 176.300 0.097 0.000 1.135 1054 R CA 1.971 58.117 56.100 0.076 0.000 0.967 1054 R CB -0.493 29.848 30.300 0.069 0.000 0.861 1054 R HN 0.450 nan 8.270 nan 0.000 0.442 1055 W N 0.482 121.773 121.300 -0.015 0.000 2.358 1055 W HA -0.230 4.430 4.660 0.000 0.000 0.303 1055 W C 2.200 178.704 176.519 -0.024 0.000 1.208 1055 W CA 1.290 58.625 57.345 -0.017 0.000 1.274 1055 W CB -0.423 29.028 29.460 -0.013 0.000 1.138 1055 W HN 0.060 nan 8.180 nan 0.000 0.515 1056 C N -0.520 118.922 119.300 0.237 0.000 2.425 1056 C HA -0.182 4.278 4.460 0.000 0.000 0.277 1056 C C 2.735 177.651 174.990 -0.123 0.000 1.280 1056 C CA 1.160 60.217 59.018 0.065 0.000 1.744 1056 C CB -1.383 26.454 27.740 0.162 0.000 1.989 1056 C HN 0.244 nan 8.230 nan 0.000 0.491 1057 V N 1.583 121.452 119.914 -0.075 0.000 2.407 1057 V HA -0.243 3.877 4.120 0.000 0.000 0.248 1057 V C 1.940 177.942 176.094 -0.153 0.000 1.055 1057 V CA 2.302 64.550 62.300 -0.087 0.000 1.049 1057 V CB -0.826 30.969 31.823 -0.045 0.000 0.662 1057 V HN 0.619 nan 8.190 nan 0.000 0.455 1058 N N -0.263 118.301 118.700 -0.226 0.000 2.300 1058 N HA -0.165 4.575 4.740 0.000 0.000 0.179 1058 N C 1.867 177.139 175.510 -0.397 0.000 1.016 1058 N CA 0.864 53.747 53.050 -0.278 0.000 0.876 1058 N CB -0.065 38.255 38.487 -0.278 0.000 0.979 1058 N HN 0.452 nan 8.380 nan 0.000 0.432 1059 E N 1.384 121.219 120.200 -0.610 0.000 2.150 1059 E HA -0.130 4.220 4.350 0.000 0.000 0.193 1059 E C 1.855 178.208 176.600 -0.412 0.000 0.985 1059 E CA 0.859 56.867 56.400 -0.654 0.000 0.814 1059 E CB -0.078 29.013 29.700 -1.014 0.000 0.752 1059 E HN 0.328 nan 8.360 nan 0.000 0.466 1060 M N 0.066 119.468 119.600 -0.331 0.000 2.099 1060 M HA -0.152 4.328 4.480 0.000 0.000 0.262 1060 M C 1.643 177.784 176.300 -0.266 0.000 1.067 1060 M CA 1.850 56.958 55.300 -0.319 0.000 1.124 1060 M CB -0.057 32.431 32.600 -0.187 0.000 1.353 1060 M HN 0.067 nan 8.290 nan 0.000 0.410 1061 E N -0.154 119.968 120.200 -0.131 0.000 2.106 1061 E HA -0.229 4.121 4.350 0.000 0.000 0.192 1061 E C 2.138 178.674 176.600 -0.106 0.000 0.984 1061 E CA 1.063 57.440 56.400 -0.038 0.000 0.806 1061 E CB -0.308 29.354 29.700 -0.063 0.000 0.750 1061 E HN 0.553 nan 8.360 nan 0.000 0.458 1062 R N 1.319 121.704 120.500 -0.192 0.000 2.066 1062 R HA -0.090 4.250 4.340 0.000 0.000 0.232 1062 R C 2.279 178.464 176.300 -0.193 0.000 1.131 1062 R CA 1.198 57.181 56.100 -0.194 0.000 0.955 1062 R CB 0.046 30.218 30.300 -0.214 0.000 0.851 1062 R HN 0.041 nan 8.270 nan 0.000 0.432 1063 R N -0.945 119.387 120.500 -0.280 0.000 2.096 1063 R HA -0.153 4.187 4.340 0.000 0.000 0.235 1063 R C 2.161 178.303 176.300 -0.262 0.000 1.127 1063 R CA 1.641 57.523 56.100 -0.362 0.000 0.968 1063 R CB -0.346 29.663 30.300 -0.485 0.000 0.861 1063 R HN 0.409 nan 8.270 nan 0.000 0.440 1064 Y N 1.078 121.292 120.300 -0.143 0.000 2.242 1064 Y HA -0.171 4.379 4.550 0.000 0.000 0.291 1064 Y C 2.344 178.206 175.900 -0.064 0.000 1.137 1064 Y CA 0.889 58.933 58.100 -0.093 0.000 1.181 1064 Y CB 0.143 38.550 38.460 -0.087 0.000 0.989 1064 Y HN 0.008 nan 8.280 nan 0.000 0.527 1065 K N 0.275 120.701 120.400 0.043 0.000 2.026 1065 K HA -0.193 4.127 4.320 0.000 0.000 0.208 1065 K C 1.875 178.597 176.600 0.204 0.000 1.048 1065 K CA 1.480 57.748 56.287 -0.031 0.000 0.929 1065 K CB -0.445 31.819 32.500 -0.393 0.000 0.713 1065 K HN 0.335 nan 8.250 nan 0.000 0.439 1066 L N 0.615 121.953 121.223 0.191 0.000 2.079 1066 L HA -0.182 4.158 4.340 0.000 0.000 0.210 1066 L C 2.583 179.608 176.870 0.258 0.000 1.081 1066 L CA 1.219 56.233 54.840 0.290 0.000 0.752 1066 L CB -0.460 41.691 42.059 0.154 0.000 0.896 1066 L HN 0.249 nan 8.230 nan 0.000 0.433 1067 M N -1.006 118.699 119.600 0.174 0.000 2.229 1067 M HA -0.154 4.326 4.480 0.000 0.000 0.264 1067 M C 2.409 178.815 176.300 0.176 0.000 1.063 1067 M CA 1.317 56.734 55.300 0.195 0.000 1.114 1067 M CB -0.268 32.439 32.600 0.178 0.000 1.387 1067 M HN 0.177 nan 8.290 nan 0.000 0.420 1068 S N 0.733 116.539 115.700 0.177 0.000 2.357 1068 S HA -0.041 4.429 4.470 0.000 0.000 0.221 1068 S C 2.162 176.845 174.600 0.139 0.000 1.031 1068 S CA 1.197 59.483 58.200 0.142 0.000 0.982 1068 S CB -0.379 62.907 63.200 0.144 0.000 0.853 1068 S HN 0.559 nan 8.310 nan 0.000 0.458 1069 A N 1.566 124.498 122.820 0.186 0.000 1.927 1069 A HA -0.085 4.235 4.320 0.000 0.000 0.220 1069 A C 1.855 179.476 177.584 0.061 0.000 1.185 1069 A CA 1.382 53.475 52.037 0.093 0.000 0.639 1069 A CB -0.716 18.311 19.000 0.044 0.000 0.820 1069 A HN 0.505 nan 8.150 nan 0.000 0.451 1070 L N -1.186 120.096 121.223 0.099 0.000 2.607 1070 L HA 0.267 4.607 4.340 0.000 0.000 0.228 1070 L C 1.283 178.189 176.870 0.060 0.000 1.123 1070 L CA 0.221 55.100 54.840 0.065 0.000 0.890 1070 L CB -0.651 41.455 42.059 0.078 0.000 1.103 1070 L HN 0.531 nan 8.230 nan 0.000 0.468 1071 G N 1.619 110.462 108.800 0.071 0.000 2.367 1071 G HA2 -0.208 3.752 3.960 0.000 0.000 0.295 1071 G HA3 -0.208 3.752 3.960 0.000 0.000 0.295 1071 G C -0.455 174.482 174.900 0.062 0.000 1.019 1071 G CA 0.187 45.321 45.100 0.057 0.000 1.224 1071 G HN 0.146 nan 8.290 nan 0.000 0.510 1072 V N 0.570 120.537 119.914 0.087 0.000 2.962 1072 V HA 0.585 4.705 4.120 0.000 0.000 0.313 1072 V C 1.238 177.393 176.094 0.101 0.000 1.099 1072 V CA -0.813 61.543 62.300 0.093 0.000 0.971 1072 V CB 1.891 33.789 31.823 0.124 0.000 1.028 1072 V HN 0.523 nan 8.190 nan 0.000 0.430 1073 R N 1.776 122.330 120.500 0.090 0.000 2.156 1073 R HA 0.200 4.540 4.340 0.000 0.000 0.207 1073 R C -0.054 176.321 176.300 0.125 0.000 1.040 1073 R CA 0.608 56.765 56.100 0.094 0.000 1.013 1073 R CB 0.169 30.510 30.300 0.068 0.000 0.931 1073 R HN 0.859 nan 8.270 nan 0.000 0.465 1074 N N -1.212 117.556 118.700 0.113 0.000 2.697 1074 N HA 0.072 4.812 4.740 0.000 0.000 0.272 1074 N C 0.313 175.874 175.510 0.086 0.000 1.381 1074 N CA -0.766 52.349 53.050 0.109 0.000 0.797 1074 N CB 0.423 38.976 38.487 0.110 0.000 1.523 1074 N HN -0.229 nan 8.380 nan 0.000 0.518 1075 L N -0.457 120.787 121.223 0.034 0.000 2.042 1075 L HA -0.160 4.180 4.340 0.000 0.000 0.210 1075 L C 2.019 178.903 176.870 0.023 0.000 1.076 1075 L CA 2.273 57.094 54.840 -0.031 0.000 0.749 1075 L CB -0.721 41.224 42.059 -0.190 0.000 0.893 1075 L HN 0.847 nan 8.230 nan 0.000 0.432 1076 A N -0.445 122.397 122.820 0.037 0.000 1.972 1076 A HA -0.141 4.179 4.320 0.000 0.000 0.219 1076 A C 2.251 179.869 177.584 0.058 0.000 1.169 1076 A CA 1.603 53.671 52.037 0.052 0.000 0.635 1076 A CB -0.967 18.090 19.000 0.096 0.000 0.810 1076 A HN 0.529 nan 8.150 nan 0.000 0.446 1077 G N -1.917 106.929 108.800 0.077 0.000 2.408 1077 G HA2 -0.174 3.786 3.960 0.000 0.000 0.215 1077 G HA3 -0.174 3.786 3.960 0.000 0.000 0.215 1077 G C 1.505 176.449 174.900 0.073 0.000 1.156 1077 G CA 1.061 46.200 45.100 0.067 0.000 0.793 1077 G HN 0.588 nan 8.290 nan 0.000 0.535 1078 Y N 1.795 122.085 120.300 -0.017 0.000 2.145 1078 Y HA -0.143 4.407 4.550 0.000 0.000 0.286 1078 Y C 2.492 178.371 175.900 -0.036 0.000 1.145 1078 Y CA 2.247 60.333 58.100 -0.024 0.000 1.148 1078 Y CB -0.444 37.993 38.460 -0.038 0.000 0.981 1078 Y HN 0.275 nan 8.280 nan 0.000 0.507 1079 N N -0.216 118.509 118.700 0.041 0.000 2.309 1079 N HA -0.147 4.593 4.740 0.000 0.000 0.182 1079 N C 1.498 176.947 175.510 -0.101 0.000 1.018 1079 N CA 1.114 54.130 53.050 -0.058 0.000 0.876 1079 N CB -0.075 38.417 38.487 0.009 0.000 0.972 1079 N HN 0.553 nan 8.380 nan 0.000 0.434 1080 E N 0.560 120.720 120.200 -0.067 0.000 2.158 1080 E HA -0.093 4.257 4.350 0.000 0.000 0.191 1080 E C 1.617 178.161 176.600 -0.093 0.000 0.982 1080 E CA 0.647 57.012 56.400 -0.058 0.000 0.823 1080 E CB 0.166 29.851 29.700 -0.025 0.000 0.766 1080 E HN 0.113 nan 8.360 nan 0.000 0.468 1081 K N 0.891 121.212 120.400 -0.133 0.000 2.057 1081 K HA -0.117 4.203 4.320 0.000 0.000 0.207 1081 K C 1.845 178.331 176.600 -0.190 0.000 1.049 1081 K CA 0.925 57.121 56.287 -0.152 0.000 0.931 1081 K CB -0.047 32.343 32.500 -0.184 0.000 0.714 1081 K HN 0.043 nan 8.250 nan 0.000 0.440 1082 I N 0.340 120.745 120.570 -0.275 0.000 2.252 1082 I HA -0.143 4.027 4.170 0.000 0.000 0.245 1082 I C 2.165 178.198 176.117 -0.140 0.000 1.102 1082 I CA 1.346 62.500 61.300 -0.242 0.000 1.385 1082 I CB -1.467 36.348 38.000 -0.308 0.000 1.064 1082 I HN 0.108 nan 8.210 nan 0.000 0.414 1083 A N 0.473 123.226 122.820 -0.112 0.000 1.933 1083 A HA -0.238 4.082 4.320 0.000 0.000 0.218 1083 A C 2.374 179.921 177.584 -0.062 0.000 1.175 1083 A CA 1.765 53.760 52.037 -0.070 0.000 0.628 1083 A CB -0.657 18.312 19.000 -0.051 0.000 0.814 1083 A HN 0.500 nan 8.150 nan 0.000 0.444 1084 E N -0.184 119.975 120.200 -0.069 0.000 2.077 1084 E HA -0.117 4.233 4.350 0.000 0.000 0.193 1084 E C 2.066 178.630 176.600 -0.059 0.000 0.989 1084 E CA 1.014 57.380 56.400 -0.057 0.000 0.800 1084 E CB -0.232 29.434 29.700 -0.057 0.000 0.746 1084 E HN 0.544 nan 8.360 nan 0.000 0.452 1085 A N 0.803 123.578 122.820 -0.076 0.000 1.968 1085 A HA -0.154 4.166 4.320 0.000 0.000 0.217 1085 A C 1.689 179.235 177.584 -0.063 0.000 1.169 1085 A CA 1.532 53.525 52.037 -0.073 0.000 0.638 1085 A CB -0.266 18.679 19.000 -0.091 0.000 0.812 1085 A HN 0.229 nan 8.150 nan 0.000 0.446 1086 D N -0.294 120.068 120.400 -0.064 0.000 2.117 1086 D HA -0.079 4.561 4.640 0.000 0.000 0.198 1086 D C 2.191 178.466 176.300 -0.041 0.000 0.982 1086 D CA 0.954 54.923 54.000 -0.052 0.000 0.828 1086 D CB -0.272 40.498 40.800 -0.049 0.000 0.967 1086 D HN 0.398 nan 8.370 nan 0.000 0.464 1087 R N -0.276 120.201 120.500 -0.038 0.000 2.115 1087 R HA 0.033 4.373 4.340 0.000 0.000 0.230 1087 R C 1.584 177.866 176.300 -0.029 0.000 1.111 1087 R CA 0.729 56.811 56.100 -0.030 0.000 0.976 1087 R CB -0.006 30.277 30.300 -0.027 0.000 0.870 1087 R HN 0.176 nan 8.270 nan 0.000 0.445 1088 M N -0.100 119.479 119.600 -0.034 0.000 2.561 1088 M HA 0.138 4.618 4.480 0.000 0.000 0.238 1088 M C 0.409 176.688 176.300 -0.034 0.000 1.131 1088 M CA 0.344 55.625 55.300 -0.032 0.000 1.046 1088 M CB -0.148 32.431 32.600 -0.034 0.000 1.532 1088 M HN 0.188 nan 8.290 nan 0.000 0.497 1089 M N 0.856 120.434 119.600 -0.037 0.000 2.253 1089 M HA -0.241 4.239 4.480 0.000 0.000 0.199 1089 M C 0.030 176.304 176.300 -0.043 0.000 0.342 1089 M CA 0.737 56.014 55.300 -0.038 0.000 0.417 1089 M CB -1.446 31.135 32.600 -0.032 0.000 1.338 1089 M HN 0.263 nan 8.290 nan 0.000 0.920 1090 R N 1.743 122.213 120.500 -0.049 0.000 2.587 1090 R HA 0.361 4.701 4.340 0.000 0.000 0.283 1090 R C -2.382 173.878 176.300 -0.067 0.000 1.472 1090 R CA -1.345 54.723 56.100 -0.054 0.000 1.578 1090 R CB 0.751 31.022 30.300 -0.049 0.000 1.130 1090 R HN 0.043 nan 8.270 nan 0.000 0.602 1091 P HA 0.015 nan 4.420 nan 0.000 0.267 1091 P C -0.327 176.913 177.300 -0.100 0.000 1.205 1091 P CA -0.041 63.006 63.100 -0.089 0.000 0.765 1091 P CB 0.758 32.402 31.700 -0.094 0.000 0.828 1092 I N 6.152 126.659 120.570 -0.104 0.000 2.363 1092 I HA 0.161 4.331 4.170 0.000 0.000 0.292 1092 I C -1.619 174.429 176.117 -0.115 0.000 1.075 1092 I CA -2.687 58.552 61.300 -0.102 0.000 1.333 1092 I CB 0.151 38.091 38.000 -0.099 0.000 1.415 1092 I HN 0.211 nan 8.210 nan 0.000 0.502 1093 P HA 0.048 nan 4.420 nan 0.000 0.275 1093 P C -0.300 176.935 177.300 -0.108 0.000 1.228 1093 P CA -0.431 62.548 63.100 -0.202 0.000 0.786 1093 P CB 1.001 32.544 31.700 -0.263 0.000 0.927 1094 D N 3.920 124.273 120.400 -0.078 0.000 2.502 1094 D HA -0.037 4.603 4.640 0.000 0.000 0.249 1094 D C -0.975 175.372 176.300 0.078 0.000 1.188 1094 D CA -1.460 52.578 54.000 0.063 0.000 0.890 1094 D CB 0.330 41.225 40.800 0.158 0.000 1.140 1094 D HN 0.246 nan 8.370 nan 0.000 0.505 1095 P HA -0.106 nan 4.420 nan 0.000 0.237 1095 P C 0.269 177.382 177.300 -0.312 0.000 1.178 1095 P CA 0.832 63.790 63.100 -0.237 0.000 0.766 1095 P CB -0.011 31.423 31.700 -0.443 0.000 0.876 1096 Y N -3.496 116.905 120.300 0.169 0.000 2.481 1096 Y HA 0.256 4.806 4.550 0.000 0.000 0.247 1096 Y C 1.473 177.486 175.900 0.188 0.000 1.151 1096 Y CA -1.260 56.926 58.100 0.142 0.000 1.238 1096 Y CB -0.309 38.209 38.460 0.097 0.000 1.179 1096 Y HN -0.085 nan 8.280 nan 0.000 0.524 1108 P HA -0.061 nan 4.420 nan 0.000 0.259 1108 P C -0.405 176.688 177.300 -0.346 0.000 1.120 1108 P CA 0.315 63.244 63.100 -0.286 0.000 0.759 1108 P CB 0.354 31.932 31.700 -0.204 0.000 0.704 1109 V N 4.570 124.360 119.914 -0.207 0.000 2.715 1109 V HA 0.314 4.434 4.120 0.000 0.000 0.310 1109 V C 0.622 176.672 176.094 -0.072 0.000 1.054 1109 V CA -1.144 61.057 62.300 -0.165 0.000 0.928 1109 V CB 2.035 33.767 31.823 -0.152 0.000 1.007 1109 V HN 0.409 nan 8.190 nan 0.000 0.437 1110 L N 4.209 125.403 121.223 -0.049 0.000 2.417 1110 L HA 0.483 4.823 4.340 0.000 0.000 0.268 1110 L C 0.029 176.896 176.870 -0.006 0.000 1.158 1110 L CA -0.007 54.842 54.840 0.016 0.000 0.819 1110 L CB 0.858 42.934 42.059 0.028 0.000 1.112 1110 L HN 0.581 nan 8.230 nan 0.000 0.458 1111 K N 1.673 122.107 120.400 0.055 0.000 2.395 1111 K HA 0.370 4.690 4.320 0.000 0.000 0.247 1111 K C -0.844 175.812 176.600 0.093 0.000 0.973 1111 K CA -0.910 55.397 56.287 0.033 0.000 0.828 1111 K CB 1.785 34.304 32.500 0.031 0.000 1.272 1111 K HN 0.339 nan 8.250 nan 0.000 0.439 1112 K N 1.795 122.220 120.400 0.042 0.000 2.511 1112 K HA -0.062 4.258 4.320 0.000 0.000 0.280 1112 K C -0.483 176.188 176.600 0.119 0.000 1.008 1112 K CA 0.597 56.929 56.287 0.076 0.000 1.050 1112 K CB 0.514 33.023 32.500 0.014 0.000 0.889 1112 K HN 0.359 nan 8.250 nan 0.000 0.484 1113 E N 3.917 124.218 120.200 0.169 0.000 2.191 1113 E HA 0.275 4.625 4.350 0.000 0.000 0.278 1113 E C -2.393 174.167 176.600 -0.067 0.000 0.972 1113 E CA -2.037 54.381 56.400 0.031 0.000 0.804 1113 E CB 1.179 30.828 29.700 -0.086 0.000 1.110 1113 E HN 0.255 nan 8.360 nan 0.000 0.394 1114 P HA 0.199 nan 4.420 nan 0.000 0.287 1114 P C -0.960 176.280 177.300 -0.100 0.000 1.279 1114 P CA -0.557 62.491 63.100 -0.087 0.000 0.867 1114 P CB 0.727 32.411 31.700 -0.027 0.000 1.127 1115 Y N 0.467 120.754 120.300 -0.022 0.000 2.497 1115 Y HA 0.152 4.702 4.550 -0.000 0.000 0.334 1115 Y C 1.111 176.992 175.900 -0.031 0.000 1.199 1115 Y CA 0.398 58.498 58.100 -0.000 0.000 1.425 1115 Y CB 0.154 38.605 38.460 -0.016 0.000 1.291 1115 Y HN 0.087 nan 8.280 nan 0.000 0.562 1116 I N 3.772 124.457 120.570 0.191 0.000 2.362 1116 I HA 0.256 4.426 4.170 0.000 0.000 0.289 1116 I C -1.028 175.177 176.117 0.146 0.000 0.994 1116 I CA -0.796 60.572 61.300 0.113 0.000 1.158 1116 I CB 1.295 39.391 38.000 0.159 0.000 1.315 1116 I HN 0.217 nan 8.210 nan 0.000 0.451 1117 V N 7.576 127.524 119.914 0.057 0.000 2.311 1117 V HA 0.220 4.340 4.120 0.000 0.000 0.275 1117 V C 0.122 176.343 176.094 0.212 0.000 1.022 1117 V CA -0.643 61.752 62.300 0.158 0.000 0.830 1117 V CB 1.576 33.499 31.823 0.167 0.000 1.012 1117 V HN 0.392 nan 8.190 nan 0.000 0.452 1118 V N 7.240 127.258 119.914 0.172 0.000 2.389 1118 V HA 0.322 4.442 4.120 0.000 0.000 0.264 1118 V C 0.055 176.210 176.094 0.102 0.000 1.049 1118 V CA -0.172 62.204 62.300 0.126 0.000 0.932 1118 V CB 1.100 32.977 31.823 0.090 0.000 1.011 1118 V HN 0.612 nan 8.190 nan 0.000 0.475 1119 L N 5.926 127.198 121.223 0.081 0.000 2.287 1119 L HA 0.553 4.893 4.340 0.000 0.000 0.287 1119 L C -0.577 176.305 176.870 0.020 0.000 1.022 1119 L CA -0.334 54.524 54.840 0.030 0.000 0.814 1119 L CB 1.795 43.831 42.059 -0.039 0.000 1.217 1119 L HN 0.413 nan 8.230 nan 0.000 0.420 1120 V N 2.693 122.624 119.914 0.027 0.000 2.376 1120 V HA 0.246 4.366 4.120 0.000 0.000 0.287 1120 V C -0.507 175.633 176.094 0.076 0.000 1.015 1120 V CA -0.714 61.618 62.300 0.054 0.000 0.834 1120 V CB 1.570 33.437 31.823 0.072 0.000 1.001 1120 V HN 0.560 nan 8.190 nan 0.000 0.428 1121 D N 4.354 124.795 120.400 0.067 0.000 2.295 1121 D HA 0.295 4.935 4.640 0.000 0.000 0.248 1121 D C 0.363 176.722 176.300 0.099 0.000 1.154 1121 D CA 0.066 54.110 54.000 0.074 0.000 0.857 1121 D CB 0.940 41.768 40.800 0.047 0.000 1.117 1121 D HN 0.675 nan 8.370 nan 0.000 0.468 1122 E N 3.005 123.285 120.200 0.133 0.000 2.313 1122 E HA -0.265 4.085 4.350 0.000 0.000 0.190 1122 E C -0.070 176.613 176.600 0.138 0.000 1.406 1122 E CA 0.372 56.845 56.400 0.121 0.000 0.668 1122 E CB -2.066 27.666 29.700 0.053 0.000 1.135 1122 E HN 0.541 nan 8.360 nan 0.000 0.375 1123 F N -0.108 119.852 119.950 0.017 0.000 2.771 1123 F HA 0.320 4.847 4.527 0.000 0.000 0.299 1123 F C 1.742 177.549 175.800 0.012 0.000 1.177 1123 F CA 0.457 58.465 58.000 0.014 0.000 1.450 1123 F CB -0.199 38.810 39.000 0.015 0.000 1.114 1123 F HN 0.260 nan 8.300 nan 0.000 0.587 1124 A N 1.193 123.729 122.820 -0.473 0.000 1.877 1124 A HA -0.174 4.146 4.320 0.000 0.000 0.216 1124 A C 2.050 179.484 177.584 -0.250 0.000 1.186 1124 A CA 1.914 53.658 52.037 -0.488 0.000 0.620 1124 A CB -0.913 17.922 19.000 -0.275 0.000 0.822 1124 A HN 0.449 nan 8.150 nan 0.000 0.443 1125 D N 0.002 120.326 120.400 -0.127 0.000 2.104 1125 D HA -0.169 4.471 4.640 0.000 0.000 0.194 1125 D C 1.966 178.235 176.300 -0.052 0.000 0.994 1125 D CA 1.153 55.114 54.000 -0.066 0.000 0.830 1125 D CB -0.497 40.288 40.800 -0.026 0.000 0.959 1125 D HN 0.411 nan 8.370 nan 0.000 0.452 1126 L N 0.306 121.514 121.223 -0.026 0.000 2.013 1126 L HA -0.228 4.112 4.340 0.000 0.000 0.212 1126 L C 2.532 179.395 176.870 -0.011 0.000 1.073 1126 L CA 1.083 55.933 54.840 0.016 0.000 0.753 1126 L CB -0.119 41.999 42.059 0.100 0.000 0.890 1126 L HN 0.064 nan 8.230 nan 0.000 0.432 1127 M N -1.687 117.864 119.600 -0.081 0.000 2.077 1127 M HA -0.223 4.257 4.480 0.000 0.000 0.261 1127 M C 1.951 178.210 176.300 -0.070 0.000 1.070 1127 M CA 1.621 56.868 55.300 -0.088 0.000 1.125 1127 M CB -0.851 31.618 32.600 -0.217 0.000 1.339 1127 M HN 0.220 nan 8.290 nan 0.000 0.409 1128 M N 0.061 119.606 119.600 -0.090 0.000 2.793 1128 M HA -0.063 4.417 4.480 0.000 0.000 0.215 1128 M C 1.322 177.599 176.300 -0.037 0.000 1.087 1128 M CA 0.868 56.131 55.300 -0.062 0.000 1.033 1128 M CB -0.696 31.863 32.600 -0.068 0.000 1.760 1128 M HN 0.330 nan 8.290 nan 0.000 0.514 1129 T N -3.215 111.323 114.554 -0.027 0.000 3.172 1129 T HA 0.198 4.548 4.350 0.000 0.000 0.261 1129 T C 0.535 175.231 174.700 -0.006 0.000 0.854 1129 T CA 0.164 62.255 62.100 -0.015 0.000 0.848 1129 T CB 0.273 69.133 68.868 -0.012 0.000 1.267 1129 T HN 0.015 nan 8.240 nan 0.000 0.581 1130 V N 1.040 120.953 119.914 -0.002 0.000 3.329 1130 V HA 0.443 4.563 4.120 0.000 0.000 0.317 1130 V C 2.135 178.236 176.094 0.011 0.000 1.495 1130 V CA -0.112 62.193 62.300 0.008 0.000 1.105 1130 V CB 0.075 31.908 31.823 0.016 0.000 0.985 1130 V HN 0.480 nan 8.190 nan 0.000 0.475 1131 G N 1.877 110.679 108.800 0.003 0.000 3.725 1131 G HA2 -0.406 3.554 3.960 0.000 0.000 0.331 1131 G HA3 -0.406 3.554 3.960 0.000 0.000 0.331 1131 G C 1.477 176.389 174.900 0.021 0.000 0.871 1131 G CA 1.637 46.741 45.100 0.007 0.000 0.725 1131 G HN 0.341 nan 8.290 nan 0.000 1.346 1132 K N 0.308 120.718 120.400 0.016 0.000 2.117 1132 K HA -0.232 4.088 4.320 0.000 0.000 0.215 1132 K C 2.477 179.089 176.600 0.020 0.000 1.053 1132 K CA 2.111 58.408 56.287 0.018 0.000 0.935 1132 K CB -0.593 31.914 32.500 0.011 0.000 0.719 1132 K HN 0.609 nan 8.250 nan 0.000 0.460 1133 K N 0.518 120.929 120.400 0.019 0.000 2.032 1133 K HA -0.138 4.182 4.320 0.000 0.000 0.209 1133 K C 2.098 178.714 176.600 0.027 0.000 1.048 1133 K CA 1.604 57.903 56.287 0.020 0.000 0.927 1133 K CB -0.006 32.505 32.500 0.018 0.000 0.712 1133 K HN -0.054 nan 8.250 nan 0.000 0.441 1134 V N 1.495 121.431 119.914 0.037 0.000 2.261 1134 V HA -0.246 3.874 4.120 0.000 0.000 0.246 1134 V C 2.152 178.280 176.094 0.056 0.000 1.047 1134 V CA 1.999 64.331 62.300 0.054 0.000 1.015 1134 V CB -0.571 31.299 31.823 0.079 0.000 0.642 1134 V HN 0.406 nan 8.190 nan 0.000 0.446 1135 E N -0.147 120.091 120.200 0.063 0.000 2.065 1135 E HA -0.337 4.013 4.350 0.000 0.000 0.201 1135 E C 2.301 178.919 176.600 0.030 0.000 1.016 1135 E CA 1.936 58.371 56.400 0.059 0.000 0.818 1135 E CB -0.178 29.555 29.700 0.055 0.000 0.749 1135 E HN 0.705 nan 8.360 nan 0.000 0.453 1136 E N 0.493 120.707 120.200 0.023 0.000 2.070 1136 E HA -0.223 4.127 4.350 0.000 0.000 0.197 1136 E C 2.182 178.784 176.600 0.005 0.000 1.004 1136 E CA 1.064 57.471 56.400 0.012 0.000 0.805 1136 E CB -0.036 29.671 29.700 0.011 0.000 0.744 1136 E HN 0.197 nan 8.360 nan 0.000 0.451 1137 L N 0.336 121.564 121.223 0.009 0.000 2.056 1137 L HA -0.159 4.181 4.340 0.000 0.000 0.207 1137 L C 2.527 179.388 176.870 -0.016 0.000 1.078 1137 L CA 0.830 55.671 54.840 0.002 0.000 0.749 1137 L CB -0.292 41.775 42.059 0.013 0.000 0.901 1137 L HN 0.256 nan 8.230 nan 0.000 0.433 1138 I N -0.125 120.435 120.570 -0.016 0.000 2.208 1138 I HA -0.312 3.858 4.170 0.000 0.000 0.245 1138 I C 2.788 178.860 176.117 -0.075 0.000 1.097 1138 I CA 1.197 62.464 61.300 -0.056 0.000 1.363 1138 I CB -0.445 37.526 38.000 -0.048 0.000 1.051 1138 I HN 0.220 nan 8.210 nan 0.000 0.413 1139 A N 0.800 123.596 122.820 -0.039 0.000 1.902 1139 A HA -0.265 4.055 4.320 0.000 0.000 0.217 1139 A C 2.411 179.975 177.584 -0.034 0.000 1.181 1139 A CA 1.972 53.989 52.037 -0.033 0.000 0.623 1139 A CB -0.656 18.337 19.000 -0.011 0.000 0.818 1139 A HN 0.372 nan 8.150 nan 0.000 0.443 1140 R N -0.437 120.047 120.500 -0.027 0.000 2.073 1140 R HA -0.071 4.269 4.340 0.000 0.000 0.234 1140 R C 2.065 178.349 176.300 -0.027 0.000 1.134 1140 R CA 1.615 57.703 56.100 -0.020 0.000 0.952 1140 R CB -0.443 29.848 30.300 -0.015 0.000 0.850 1140 R HN 0.505 nan 8.270 nan 0.000 0.433 1141 L N 0.220 121.410 121.223 -0.055 0.000 1.970 1141 L HA -0.180 4.160 4.340 0.000 0.000 0.212 1141 L C 2.699 179.500 176.870 -0.114 0.000 1.071 1141 L CA 1.531 56.322 54.840 -0.081 0.000 0.751 1141 L CB -0.690 41.297 42.059 -0.120 0.000 0.889 1141 L HN 0.421 nan 8.230 nan 0.000 0.432 1142 A N -0.746 121.931 122.820 -0.237 0.000 1.958 1142 A HA -0.326 3.994 4.320 0.000 0.000 0.221 1142 A C 2.137 179.765 177.584 0.072 0.000 1.178 1142 A CA 2.068 53.939 52.037 -0.276 0.000 0.642 1142 A CB -0.635 18.228 19.000 -0.229 0.000 0.816 1142 A HN 0.554 nan 8.150 nan 0.000 0.453 1143 Q N -1.113 118.705 119.800 0.030 0.000 2.061 1143 Q HA -0.141 4.199 4.340 0.000 0.000 0.204 1143 Q C 1.208 177.254 176.000 0.076 0.000 0.984 1143 Q CA 1.842 57.675 55.803 0.051 0.000 0.846 1143 Q CB -0.071 28.678 28.738 0.019 0.000 0.902 1143 Q HN 0.678 nan 8.270 nan 0.000 0.421 1144 K N -1.855 118.600 120.400 0.093 0.000 2.483 1144 K HA 0.294 4.614 4.320 0.000 0.000 0.206 1144 K C 1.041 177.778 176.600 0.227 0.000 1.086 1144 K CA 0.290 56.663 56.287 0.142 0.000 1.052 1144 K CB 1.100 33.668 32.500 0.113 0.000 0.904 1144 K HN 0.009 nan 8.250 nan 0.000 0.557 1145 A N 1.685 124.592 122.820 0.145 0.000 2.014 1145 A HA -0.118 4.202 4.320 0.000 0.000 0.218 1145 A C 2.079 179.637 177.584 -0.043 0.000 1.163 1145 A CA 0.987 53.051 52.037 0.046 0.000 0.652 1145 A CB -0.315 18.698 19.000 0.022 0.000 0.808 1145 A HN 0.251 nan 8.150 nan 0.000 0.449 1146 R N 0.025 120.512 120.500 -0.021 0.000 2.143 1146 R HA -0.248 4.092 4.340 0.000 0.000 0.239 1146 R C 2.211 178.515 176.300 0.007 0.000 1.126 1146 R CA 2.137 58.166 56.100 -0.118 0.000 0.927 1146 R CB -0.550 29.724 30.300 -0.043 0.000 0.860 1146 R HN 0.415 nan 8.270 nan 0.000 0.433 1147 A N 0.225 123.111 122.820 0.110 0.000 2.019 1147 A HA -0.056 4.264 4.320 0.000 0.000 0.219 1147 A C 2.230 179.820 177.584 0.011 0.000 1.164 1147 A CA 1.624 53.748 52.037 0.145 0.000 0.644 1147 A CB -0.613 18.550 19.000 0.271 0.000 0.805 1147 A HN 0.611 nan 8.150 nan 0.000 0.449 1148 A N -1.674 121.025 122.820 -0.200 0.000 2.209 1148 A HA 0.379 4.699 4.320 0.000 0.000 0.212 1148 A C 1.797 179.235 177.584 -0.243 0.000 1.158 1148 A CA 1.263 53.010 52.037 -0.482 0.000 0.742 1148 A CB -0.966 17.546 19.000 -0.814 0.000 0.790 1148 A HN 1.920 nan 8.150 nan 0.000 0.472 1149 G N -1.108 107.654 108.800 -0.065 0.000 2.149 1149 G HA2 -0.203 3.757 3.960 0.000 0.000 0.235 1149 G HA3 -0.203 3.757 3.960 0.000 0.000 0.235 1149 G C -0.057 174.947 174.900 0.174 0.000 1.018 1149 G CA 0.294 45.502 45.100 0.180 0.000 0.728 1149 G HN 0.485 nan 8.290 nan 0.000 0.508 1150 I N 0.511 120.997 120.570 -0.139 0.000 2.404 1150 I HA 0.557 4.727 4.170 0.000 0.000 0.293 1150 I C -0.035 175.905 176.117 -0.294 0.000 0.992 1150 I CA -1.024 60.238 61.300 -0.063 0.000 1.149 1150 I CB 1.594 39.566 38.000 -0.047 0.000 1.315 1150 I HN 0.120 nan 8.210 nan 0.000 0.446 1151 H N 5.165 124.346 119.070 0.185 0.000 2.717 1151 H HA 0.566 5.122 4.556 -0.000 0.000 0.366 1151 H C -1.173 174.300 175.328 0.242 0.000 1.132 1151 H CA -0.682 55.525 56.048 0.265 0.000 1.180 1151 H CB 1.942 31.766 29.762 0.103 0.000 1.678 1151 H HN 0.282 nan 8.280 nan 0.000 0.537 1152 L N 2.441 123.932 121.223 0.446 0.000 2.322 1152 L HA 0.516 4.856 4.340 0.000 0.000 0.279 1152 L C -0.712 176.247 176.870 0.148 0.000 1.036 1152 L CA -0.517 54.411 54.840 0.146 0.000 0.807 1152 L CB 1.701 43.687 42.059 -0.123 0.000 1.226 1152 L HN 0.487 nan 8.230 nan 0.000 0.433 1153 V N 5.257 125.212 119.914 0.069 0.000 2.419 1153 V HA 0.409 4.529 4.120 0.000 0.000 0.287 1153 V C -0.484 175.599 176.094 -0.018 0.000 1.017 1153 V CA -0.523 61.805 62.300 0.046 0.000 0.844 1153 V CB 1.543 33.406 31.823 0.066 0.000 1.011 1153 V HN 0.455 nan 8.190 nan 0.000 0.429 1154 L N 4.552 125.723 121.223 -0.087 0.000 2.298 1154 L HA 0.873 5.213 4.340 0.000 0.000 0.284 1154 L C 0.300 177.137 176.870 -0.055 0.000 1.013 1154 L CA -0.423 54.302 54.840 -0.192 0.000 0.824 1154 L CB 1.697 43.393 42.059 -0.605 0.000 1.221 1154 L HN 0.677 nan 8.230 nan 0.000 0.418 1155 A N 2.370 125.238 122.820 0.080 0.000 2.340 1155 A HA 0.854 5.174 4.320 0.000 0.000 0.331 1155 A C -0.389 177.355 177.584 0.266 0.000 1.140 1155 A CA -0.482 51.648 52.037 0.155 0.000 0.801 1155 A CB 1.966 21.034 19.000 0.114 0.000 1.234 1155 A HN 0.562 nan 8.150 nan 0.000 0.469 1156 T N 0.244 114.943 114.554 0.242 0.000 2.932 1156 T HA 0.445 4.795 4.350 0.000 0.000 0.318 1156 T C -0.683 174.095 174.700 0.130 0.000 1.265 1156 T CA -0.293 61.931 62.100 0.207 0.000 1.036 1156 T CB 1.458 70.484 68.868 0.263 0.000 1.209 1156 T HN 0.616 nan 8.240 nan 0.000 0.484 1157 Q N 1.923 121.768 119.800 0.076 0.000 2.165 1157 Q HA 0.332 4.672 4.340 0.000 0.000 0.245 1157 Q C 0.086 176.108 176.000 0.037 0.000 0.841 1157 Q CA -0.059 55.779 55.803 0.058 0.000 1.078 1157 Q CB 0.708 29.469 28.738 0.038 0.000 1.169 1157 Q HN 0.344 nan 8.270 nan 0.000 0.475 1158 R N 0.894 121.410 120.500 0.028 0.000 2.674 1158 R HA 0.229 4.569 4.340 0.000 0.000 0.270 1158 R C -2.646 173.659 176.300 0.008 0.000 1.492 1158 R CA -1.557 54.544 56.100 0.003 0.000 1.624 1158 R CB 0.992 31.272 30.300 -0.033 0.000 1.307 1158 R HN -0.053 nan 8.270 nan 0.000 0.683 1159 P HA -0.069 nan 4.420 nan 0.000 0.248 1159 P C -0.496 176.823 177.300 0.031 0.000 1.550 1159 P CA 0.558 63.690 63.100 0.053 0.000 1.252 1159 P CB 0.124 31.863 31.700 0.065 0.000 1.869 1160 S N -0.576 115.131 115.700 0.012 0.000 2.607 1160 S HA 0.293 4.763 4.470 0.000 0.000 0.303 1160 S C 1.043 175.647 174.600 0.008 0.000 1.086 1160 S CA -0.810 57.393 58.200 0.004 0.000 0.995 1160 S CB 1.255 64.447 63.200 -0.013 0.000 1.084 1160 S HN -0.039 nan 8.310 nan 0.000 0.507 1161 V N 1.144 121.064 119.914 0.010 0.000 2.867 1161 V HA -0.118 4.002 4.120 0.000 0.000 0.260 1161 V C 1.416 177.514 176.094 0.007 0.000 1.099 1161 V CA 1.858 64.167 62.300 0.014 0.000 1.122 1161 V CB -1.037 30.792 31.823 0.011 0.000 0.708 1161 V HN 0.812 nan 8.190 nan 0.000 0.490 1162 D N -0.314 120.079 120.400 -0.012 0.000 2.249 1162 D HA -0.022 4.618 4.640 0.000 0.000 0.205 1162 D C 1.971 178.238 176.300 -0.054 0.000 0.962 1162 D CA 0.816 54.800 54.000 -0.027 0.000 0.860 1162 D CB 0.287 41.064 40.800 -0.038 0.000 0.955 1162 D HN 0.398 nan 8.370 nan 0.000 0.505 1163 V N 0.799 120.670 119.914 -0.072 0.000 2.484 1163 V HA 0.013 4.133 4.120 0.000 0.000 0.236 1163 V C 1.067 177.184 176.094 0.037 0.000 1.062 1163 V CA 0.331 62.528 62.300 -0.172 0.000 1.081 1163 V CB 0.289 31.953 31.823 -0.264 0.000 0.751 1163 V HN 0.062 nan 8.190 nan 0.000 0.484 1164 I N 3.629 124.271 120.570 0.121 0.000 2.268 1164 I HA 0.146 4.316 4.170 0.000 0.000 0.298 1164 I C 0.926 177.113 176.117 0.117 0.000 1.185 1164 I CA 0.363 61.786 61.300 0.204 0.000 1.548 1164 I CB -1.280 36.810 38.000 0.150 0.000 1.492 1164 I HN 0.434 nan 8.210 nan 0.000 0.711 1165 T N 0.513 115.138 114.554 0.119 0.000 2.770 1165 T HA 0.373 4.723 4.350 0.000 0.000 0.281 1165 T C 1.565 176.299 174.700 0.058 0.000 0.981 1165 T CA -0.066 62.076 62.100 0.070 0.000 0.955 1165 T CB 1.432 70.338 68.868 0.063 0.000 1.060 1165 T HN 0.504 nan 8.240 nan 0.000 0.531 1166 G N -0.443 108.380 108.800 0.038 0.000 2.422 1166 G HA2 -0.063 3.897 3.960 0.000 0.000 0.218 1166 G HA3 -0.063 3.897 3.960 0.000 0.000 0.218 1166 G C 1.436 176.352 174.900 0.027 0.000 1.146 1166 G CA 0.384 45.501 45.100 0.028 0.000 0.769 1166 G HN 0.659 nan 8.290 nan 0.000 0.547 1167 L N 0.271 121.513 121.223 0.031 0.000 2.056 1167 L HA -0.035 4.305 4.340 0.000 0.000 0.207 1167 L C 2.828 179.714 176.870 0.027 0.000 1.078 1167 L CA 0.420 55.276 54.840 0.026 0.000 0.749 1167 L CB -0.315 41.760 42.059 0.028 0.000 0.901 1167 L HN 0.124 nan 8.230 nan 0.000 0.433 1168 I N 0.432 121.031 120.570 0.048 0.000 2.142 1168 I HA -0.293 3.877 4.170 0.000 0.000 0.240 1168 I C 2.470 178.594 176.117 0.013 0.000 1.078 1168 I CA 1.663 62.986 61.300 0.038 0.000 1.343 1168 I CB -1.007 37.062 38.000 0.113 0.000 1.046 1168 I HN 0.278 nan 8.210 nan 0.000 0.405 1169 K N 0.964 121.381 120.400 0.028 0.000 2.097 1169 K HA -0.105 4.215 4.320 0.000 0.000 0.206 1169 K C 2.115 178.719 176.600 0.007 0.000 1.049 1169 K CA 1.521 57.817 56.287 0.015 0.000 0.933 1169 K CB -0.289 32.223 32.500 0.021 0.000 0.717 1169 K HN 0.296 nan 8.250 nan 0.000 0.442 1170 A N 1.420 124.246 122.820 0.010 0.000 2.070 1170 A HA -0.166 4.154 4.320 0.000 0.000 0.220 1170 A C 1.431 179.019 177.584 0.008 0.000 1.159 1170 A CA 1.708 53.749 52.037 0.007 0.000 0.656 1170 A CB -0.391 18.613 19.000 0.008 0.000 0.800 1170 A HN 0.338 nan 8.150 nan 0.000 0.453 1171 N N -1.544 117.158 118.700 0.004 0.000 2.463 1171 N HA 0.206 4.946 4.740 0.000 0.000 0.183 1171 N C -0.474 175.052 175.510 0.026 0.000 1.064 1171 N CA 0.068 53.122 53.050 0.008 0.000 0.879 1171 N CB 0.382 38.859 38.487 -0.017 0.000 1.148 1171 N HN 0.295 nan 8.380 nan 0.000 0.451 1172 I N 2.777 123.350 120.570 0.006 0.000 2.291 1172 I HA 0.173 4.343 4.170 0.000 0.000 0.290 1172 I C -1.505 174.621 176.117 0.015 0.000 1.050 1172 I CA -2.003 59.314 61.300 0.029 0.000 1.245 1172 I CB 1.365 39.353 38.000 -0.020 0.000 1.405 1172 I HN 0.033 nan 8.210 nan 0.000 0.478 1173 P HA -0.016 nan 4.420 nan 0.000 0.222 1173 P C 0.287 177.553 177.300 -0.058 0.000 1.153 1173 P CA 0.727 63.820 63.100 -0.012 0.000 0.798 1173 P CB 0.272 31.972 31.700 0.000 0.000 0.796 1174 T N 2.178 116.698 114.554 -0.056 0.000 2.795 1174 T HA 0.415 4.765 4.350 0.000 0.000 0.282 1174 T C 0.130 174.754 174.700 -0.127 0.000 0.980 1174 T CA -0.442 61.574 62.100 -0.141 0.000 1.012 1174 T CB 1.145 69.960 68.868 -0.088 0.000 0.936 1174 T HN 0.012 nan 8.240 nan 0.000 0.457 1175 R N 2.718 123.091 120.500 -0.211 0.000 2.686 1175 R HA 0.645 4.985 4.340 0.000 0.000 0.283 1175 R C -1.076 175.134 176.300 -0.150 0.000 0.978 1175 R CA -0.847 55.176 56.100 -0.129 0.000 0.897 1175 R CB 2.257 32.501 30.300 -0.093 0.000 1.192 1175 R HN 0.513 nan 8.270 nan 0.000 0.457 1176 I N 1.571 122.105 120.570 -0.059 0.000 2.447 1176 I HA 0.411 4.581 4.170 0.000 0.000 0.287 1176 I C -0.525 175.535 176.117 -0.094 0.000 1.023 1176 I CA -0.725 60.526 61.300 -0.082 0.000 1.083 1176 I CB 2.113 40.090 38.000 -0.039 0.000 1.245 1176 I HN 0.656 nan 8.210 nan 0.000 0.434 1177 A N 6.716 129.444 122.820 -0.152 0.000 2.287 1177 A HA 0.764 5.084 4.320 0.000 0.000 0.317 1177 A C -0.948 176.531 177.584 -0.175 0.000 1.220 1177 A CA -0.288 51.704 52.037 -0.075 0.000 0.835 1177 A CB 0.470 19.453 19.000 -0.029 0.000 1.180 1177 A HN 0.528 nan 8.150 nan 0.000 0.500 1178 F N 0.578 120.561 119.950 0.054 0.000 2.321 1178 F HA 0.391 4.918 4.527 0.000 0.000 0.318 1178 F C 1.486 177.314 175.800 0.048 0.000 1.129 1178 F CA 0.004 58.037 58.000 0.055 0.000 1.074 1178 F CB 0.763 39.797 39.000 0.056 0.000 1.432 1178 F HN 0.487 nan 8.300 nan 0.000 0.502 1179 T N 2.559 117.269 114.554 0.259 0.000 2.866 1179 T HA 0.375 4.725 4.350 0.000 0.000 0.293 1179 T C -0.207 174.566 174.700 0.123 0.000 1.005 1179 T CA -0.285 61.905 62.100 0.150 0.000 1.162 1179 T CB -0.339 68.607 68.868 0.130 0.000 0.968 1179 T HN 0.457 nan 8.240 nan 0.000 0.530 1180 V N 0.879 120.845 119.914 0.087 0.000 3.096 1180 V HA 0.645 4.766 4.120 0.000 0.000 0.319 1180 V C 1.028 177.153 176.094 0.051 0.000 1.103 1180 V CA -0.588 61.754 62.300 0.070 0.000 1.016 1180 V CB 1.800 33.660 31.823 0.061 0.000 1.090 1180 V HN 0.800 nan 8.190 nan 0.000 0.449 1181 S N 0.030 115.755 115.700 0.042 0.000 2.496 1181 S HA 0.194 4.664 4.470 0.000 0.000 0.224 1181 S C 0.787 175.404 174.600 0.027 0.000 0.996 1181 S CA 0.407 58.627 58.200 0.033 0.000 0.927 1181 S CB -0.557 62.660 63.200 0.028 0.000 0.774 1181 S HN 1.608 nan 8.310 nan 0.000 0.524 1182 S N -0.246 115.470 115.700 0.027 0.000 2.638 1182 S HA 0.530 5.000 4.470 0.000 0.000 0.274 1182 S C -0.014 174.599 174.600 0.021 0.000 1.157 1182 S CA -1.063 57.150 58.200 0.022 0.000 0.826 1182 S CB 1.500 64.712 63.200 0.019 0.000 1.139 1182 S HN 0.015 nan 8.310 nan 0.000 0.474 1183 K N 0.320 120.730 120.400 0.017 0.000 2.148 1183 K HA 0.042 4.362 4.320 0.000 0.000 0.204 1183 K C 1.922 178.531 176.600 0.015 0.000 1.050 1183 K CA 1.607 57.903 56.287 0.015 0.000 0.942 1183 K CB -0.605 31.902 32.500 0.011 0.000 0.724 1183 K HN 0.740 nan 8.250 nan 0.000 0.446 1184 I N -1.094 119.485 120.570 0.015 0.000 2.353 1184 I HA -0.163 4.007 4.170 0.000 0.000 0.248 1184 I C 1.390 177.518 176.117 0.019 0.000 1.119 1184 I CA 1.426 62.734 61.300 0.015 0.000 1.417 1184 I CB -0.177 37.831 38.000 0.013 0.000 1.078 1184 I HN -0.069 nan 8.210 nan 0.000 0.421 1185 D N 1.144 121.557 120.400 0.022 0.000 2.117 1185 D HA -0.186 4.454 4.640 0.000 0.000 0.197 1185 D C 2.332 178.651 176.300 0.031 0.000 0.987 1185 D CA 1.777 55.794 54.000 0.029 0.000 0.829 1185 D CB 0.004 40.825 40.800 0.034 0.000 0.961 1185 D HN 0.441 nan 8.370 nan 0.000 0.460 1186 S N 0.326 116.042 115.700 0.026 0.000 2.356 1186 S HA -0.153 4.317 4.470 0.000 0.000 0.223 1186 S C 1.962 176.571 174.600 0.015 0.000 1.032 1186 S CA 0.999 59.212 58.200 0.022 0.000 1.005 1186 S CB 0.061 63.271 63.200 0.017 0.000 0.867 1186 S HN 0.125 nan 8.310 nan 0.000 0.449 1187 R N -0.074 120.434 120.500 0.013 0.000 2.120 1187 R HA -0.032 4.308 4.340 0.000 0.000 0.234 1187 R C 2.383 178.691 176.300 0.013 0.000 1.123 1187 R CA 1.778 57.883 56.100 0.009 0.000 0.975 1187 R CB -0.642 29.663 30.300 0.009 0.000 0.866 1187 R HN 0.401 nan 8.270 nan 0.000 0.446 1188 T N 0.901 115.468 114.554 0.020 0.000 2.867 1188 T HA -0.042 4.308 4.350 0.000 0.000 0.268 1188 T C 1.636 176.356 174.700 0.032 0.000 1.057 1188 T CA 0.905 63.022 62.100 0.027 0.000 1.136 1188 T CB 0.047 68.935 68.868 0.033 0.000 0.874 1188 T HN 0.088 nan 8.240 nan 0.000 0.466 1189 I N 0.162 120.750 120.570 0.030 0.000 2.585 1189 I HA 0.166 4.336 4.170 0.000 0.000 0.254 1189 I C 1.802 177.920 176.117 0.002 0.000 1.129 1189 I CA 1.130 62.446 61.300 0.028 0.000 1.455 1189 I CB -0.867 37.153 38.000 0.034 0.000 1.111 1189 I HN 0.257 nan 8.210 nan 0.000 0.433 1190 L N -0.206 121.014 121.223 -0.006 0.000 2.817 1190 L HA 0.229 4.569 4.340 0.000 0.000 0.248 1190 L C -0.124 176.734 176.870 -0.018 0.000 1.133 1190 L CA 0.010 54.836 54.840 -0.024 0.000 0.935 1190 L CB 0.208 42.249 42.059 -0.030 0.000 1.266 1190 L HN 0.095 nan 8.230 nan 0.000 0.535 1191 D N 1.592 121.988 120.400 -0.007 0.000 2.800 1191 D HA -0.233 4.407 4.640 0.000 0.000 0.232 1191 D C 0.207 176.503 176.300 -0.007 0.000 1.137 1191 D CA 1.051 55.048 54.000 -0.005 0.000 0.718 1191 D CB -0.598 40.197 40.800 -0.008 0.000 1.084 1191 D HN 0.565 nan 8.370 nan 0.000 0.432 1192 Q N -1.301 118.495 119.800 -0.006 0.000 2.574 1192 Q HA 0.520 4.860 4.340 0.000 0.000 0.265 1192 Q C -1.540 174.459 176.000 -0.002 0.000 0.975 1192 Q CA -0.355 55.445 55.803 -0.006 0.000 0.923 1192 Q CB 1.291 30.022 28.738 -0.012 0.000 1.518 1192 Q HN 0.074 nan 8.270 nan 0.000 0.401 1193 A N 0.937 123.757 122.820 0.000 0.000 2.280 1193 A HA 0.823 5.143 4.320 0.000 0.000 0.268 1193 A C 0.976 178.561 177.584 0.003 0.000 1.111 1193 A CA 0.917 52.956 52.037 0.004 0.000 0.814 1193 A CB 0.260 19.263 19.000 0.005 0.000 1.093 1193 A HN 1.550 nan 8.150 nan 0.000 0.498 1194 G N -2.014 106.790 108.800 0.008 0.000 3.033 1194 G HA2 0.137 4.097 3.960 0.000 0.000 0.196 1194 G HA3 0.137 4.097 3.960 0.000 0.000 0.196 1194 G C 1.361 176.270 174.900 0.014 0.000 1.078 1194 G CA 0.858 45.963 45.100 0.009 0.000 0.805 1194 G HN 1.744 nan 8.290 nan 0.000 0.472 1195 A N 1.301 124.129 122.820 0.013 0.000 1.978 1195 A HA 0.141 4.461 4.320 0.000 0.000 0.220 1195 A C 1.860 179.466 177.584 0.038 0.000 1.170 1195 A CA 2.426 54.476 52.037 0.022 0.000 0.636 1195 A CB -0.485 18.529 19.000 0.022 0.000 0.810 1195 A HN 0.885 nan 8.150 nan 0.000 0.448 1196 E N 0.124 120.343 120.200 0.032 0.000 2.511 1196 E HA 0.082 4.432 4.350 0.000 0.000 0.196 1196 E C 0.866 177.486 176.600 0.033 0.000 1.066 1196 E CA 0.900 57.321 56.400 0.034 0.000 0.871 1196 E CB -0.424 29.293 29.700 0.027 0.000 0.863 1196 E HN 0.325 nan 8.360 nan 0.000 0.520 1197 S N 0.119 115.838 115.700 0.033 0.000 2.602 1197 S HA 0.298 4.768 4.470 0.000 0.000 0.240 1197 S C 0.188 174.814 174.600 0.044 0.000 0.992 1197 S CA -0.488 57.732 58.200 0.033 0.000 0.971 1197 S CB 0.049 63.265 63.200 0.026 0.000 0.855 1197 S HN 0.156 nan 8.310 nan 0.000 0.481 1198 L N 0.980 122.235 121.223 0.054 0.000 2.416 1198 L HA 0.443 4.783 4.340 0.000 0.000 0.262 1198 L C 0.492 177.404 176.870 0.070 0.000 1.093 1198 L CA -0.563 54.320 54.840 0.071 0.000 0.801 1198 L CB 0.731 42.840 42.059 0.084 0.000 1.191 1198 L HN 0.167 nan 8.230 nan 0.000 0.459 1199 L N 1.641 122.911 121.223 0.078 0.000 2.851 1199 L HA 0.285 4.625 4.340 0.000 0.000 0.237 1199 L C 1.033 177.939 176.870 0.060 0.000 1.257 1199 L CA -0.220 54.654 54.840 0.056 0.000 1.061 1199 L CB -0.896 41.184 42.059 0.035 0.000 1.372 1199 L HN 0.941 nan 8.230 nan 0.000 0.493 1200 G N 0.461 109.312 108.800 0.086 0.000 2.668 1200 G HA2 -0.366 3.594 3.960 0.000 0.000 0.266 1200 G HA3 -0.366 3.594 3.960 0.000 0.000 0.266 1200 G C 0.299 175.259 174.900 0.099 0.000 1.328 1200 G CA -0.136 45.019 45.100 0.092 0.000 0.911 1200 G HN 0.404 nan 8.290 nan 0.000 0.567 1201 M N -0.543 119.100 119.600 0.072 0.000 2.787 1201 M HA -0.157 4.323 4.480 0.000 0.000 0.176 1201 M C 1.730 178.109 176.300 0.132 0.000 1.139 1201 M CA 1.615 56.952 55.300 0.063 0.000 0.681 1201 M CB -1.748 30.854 32.600 0.004 0.000 1.180 1201 M HN 2.893 nan 8.290 nan 0.000 0.788 1202 G N -0.382 108.533 108.800 0.192 0.000 2.212 1202 G HA2 -0.298 3.662 3.960 0.000 0.000 0.266 1202 G HA3 -0.298 3.662 3.960 0.000 0.000 0.266 1202 G C -0.039 175.155 174.900 0.490 0.000 0.978 1202 G CA 0.502 45.829 45.100 0.379 0.000 0.632 1202 G HN 0.690 nan 8.290 nan 0.000 0.537 1203 D N 1.291 121.894 120.400 0.337 0.000 2.493 1203 D HA 0.476 5.116 4.640 0.000 0.000 0.240 1203 D C 0.964 177.362 176.300 0.162 0.000 1.142 1203 D CA 0.974 55.131 54.000 0.262 0.000 0.872 1203 D CB 0.100 41.026 40.800 0.210 0.000 1.173 1203 D HN 0.752 nan 8.370 nan 0.000 0.467 1204 M N 1.539 121.127 119.600 -0.020 0.000 2.721 1204 M HA 0.468 4.948 4.480 0.000 0.000 0.271 1204 M C -1.899 174.306 176.300 -0.159 0.000 1.259 1204 M CA -1.018 54.137 55.300 -0.243 0.000 0.835 1204 M CB 1.615 33.802 32.600 -0.687 0.000 1.689 1204 M HN 0.129 nan 8.290 nan 0.000 0.470 1205 L N 2.346 123.471 121.223 -0.163 0.000 2.343 1205 L HA 0.502 4.842 4.340 0.000 0.000 0.278 1205 L C -1.691 175.147 176.870 -0.052 0.000 0.996 1205 L CA -0.734 54.059 54.840 -0.079 0.000 0.831 1205 L CB 1.766 43.791 42.059 -0.057 0.000 1.232 1205 L HN 0.706 nan 8.230 nan 0.000 0.413 1206 Y N 2.794 123.013 120.300 -0.135 0.000 2.313 1206 Y HA 0.348 4.898 4.550 -0.000 0.000 0.332 1206 Y C 0.117 175.973 175.900 -0.072 0.000 1.071 1206 Y CA -0.070 57.964 58.100 -0.110 0.000 1.169 1206 Y CB 1.725 40.127 38.460 -0.097 0.000 1.192 1206 Y HN 0.458 nan 8.280 nan 0.000 0.487 1207 S N 5.381 120.715 115.700 -0.609 0.000 2.542 1207 S HA 0.529 4.999 4.470 0.000 0.000 0.245 1207 S C 0.013 174.250 174.600 -0.604 0.000 1.325 1207 S CA -0.294 57.637 58.200 -0.449 0.000 1.176 1207 S CB -0.538 62.521 63.200 -0.235 0.000 1.045 1207 S HN 1.132 nan 8.310 nan 0.000 0.481 1208 G N 3.829 112.269 108.800 -0.600 0.000 2.653 1208 G HA2 0.374 4.334 3.960 0.000 0.000 0.265 1208 G HA3 0.374 4.334 3.960 0.000 0.000 0.265 1208 G C -1.372 173.429 174.900 -0.166 0.000 1.237 1208 G CA -1.011 43.872 45.100 -0.363 0.000 0.946 1208 G HN 0.517 nan 8.290 nan 0.000 0.522 1209 P HA 0.006 nan 4.420 nan 0.000 0.239 1209 P C 0.399 177.682 177.300 -0.028 0.000 1.188 1209 P CA 0.558 63.628 63.100 -0.049 0.000 0.794 1209 P CB 0.458 32.141 31.700 -0.029 0.000 0.937 1210 N N -0.091 118.599 118.700 -0.016 0.000 2.451 1210 N HA 0.216 4.956 4.740 0.000 0.000 0.264 1210 N C -0.490 175.017 175.510 -0.005 0.000 1.167 1210 N CA -0.093 52.955 53.050 -0.005 0.000 0.898 1210 N CB 0.250 38.742 38.487 0.007 0.000 1.176 1210 N HN -0.041 nan 8.380 nan 0.000 0.507 1211 S N -0.952 114.738 115.700 -0.017 0.000 2.669 1211 S HA 0.030 4.500 4.470 0.000 0.000 0.304 1211 S C 0.563 175.147 174.600 -0.027 0.000 1.021 1211 S CA -0.689 57.502 58.200 -0.015 0.000 0.854 1211 S CB 0.462 63.661 63.200 -0.002 0.000 1.048 1211 S HN 0.238 nan 8.310 nan 0.000 0.452 1212 T N 2.127 116.668 114.554 -0.022 0.000 3.067 1212 T HA 0.288 4.638 4.350 0.000 0.000 0.261 1212 T C 0.796 175.481 174.700 -0.025 0.000 1.110 1212 T CA 0.261 62.346 62.100 -0.026 0.000 1.113 1212 T CB -0.483 68.374 68.868 -0.018 0.000 0.917 1212 T HN 0.490 nan 8.240 nan 0.000 0.499 1213 L N 3.779 124.991 121.223 -0.018 0.000 2.281 1213 L HA 0.394 4.734 4.340 0.000 0.000 0.285 1213 L C -1.999 174.863 176.870 -0.014 0.000 1.074 1213 L CA -2.158 52.675 54.840 -0.012 0.000 0.817 1213 L CB 0.287 42.344 42.059 -0.004 0.000 1.168 1213 L HN 0.044 nan 8.230 nan 0.000 0.434 1214 P HA 0.248 nan 4.420 nan 0.000 0.276 1214 P C -0.922 176.385 177.300 0.011 0.000 1.252 1214 P CA -0.387 62.702 63.100 -0.020 0.000 0.802 1214 P CB 1.945 33.625 31.700 -0.034 0.000 1.035 1215 V N 1.843 121.783 119.914 0.044 0.000 2.531 1215 V HA 0.349 4.469 4.120 0.000 0.000 0.301 1215 V C 0.662 176.758 176.094 0.004 0.000 1.034 1215 V CA -0.852 61.470 62.300 0.036 0.000 0.865 1215 V CB 1.502 33.368 31.823 0.071 0.000 0.995 1215 V HN 0.568 nan 8.190 nan 0.000 0.424 1216 R N 3.471 123.944 120.500 -0.046 0.000 2.438 1216 R HA 0.630 4.970 4.340 0.000 0.000 0.287 1216 R C -1.316 174.863 176.300 -0.201 0.000 1.077 1216 R CA -0.018 56.020 56.100 -0.103 0.000 1.034 1216 R CB 1.056 31.300 30.300 -0.092 0.000 0.993 1216 R HN 0.525 nan 8.270 nan 0.000 0.459 1217 V N 4.366 124.135 119.914 -0.242 0.000 2.808 1217 V HA 0.234 4.354 4.120 0.000 0.000 0.308 1217 V C -0.986 174.947 176.094 -0.267 0.000 1.099 1217 V CA -0.962 61.164 62.300 -0.290 0.000 0.920 1217 V CB 1.981 33.707 31.823 -0.161 0.000 1.014 1217 V HN 0.820 nan 8.190 nan 0.000 0.425 1218 H N 2.874 121.952 119.070 0.013 0.000 2.761 1218 H HA 0.376 4.932 4.556 0.000 0.000 0.284 1218 H C 0.724 176.087 175.328 0.058 0.000 1.105 1218 H CA -0.105 55.965 56.048 0.038 0.000 1.352 1218 H CB 1.197 30.973 29.762 0.023 0.000 1.423 1218 H HN 0.854 nan 8.280 nan 0.000 0.464 1219 G N 1.955 110.884 108.800 0.214 0.000 2.391 1219 G HA2 0.242 4.202 3.960 0.000 0.000 0.234 1219 G HA3 0.242 4.202 3.960 0.000 0.000 0.234 1219 G C 0.250 175.247 174.900 0.162 0.000 1.284 1219 G CA -0.150 45.078 45.100 0.213 0.000 0.873 1219 G HN 0.770 nan 8.290 nan 0.000 0.549 1220 A N 1.762 124.650 122.820 0.113 0.000 2.425 1220 A HA 0.528 4.848 4.320 0.000 0.000 0.249 1220 A C -0.360 177.283 177.584 0.098 0.000 1.084 1220 A CA -0.406 51.679 52.037 0.080 0.000 0.781 1220 A CB 0.368 19.386 19.000 0.029 0.000 1.019 1220 A HN 0.795 nan 8.150 nan 0.000 0.490 1221 F N 2.965 122.879 119.950 -0.059 0.000 2.385 1221 F HA 0.560 5.087 4.527 -0.000 0.000 0.336 1221 F C -0.148 175.641 175.800 -0.017 0.000 1.100 1221 F CA -0.484 57.477 58.000 -0.065 0.000 1.116 1221 F CB 1.478 40.386 39.000 -0.153 0.000 1.166 1221 F HN 0.461 nan 8.300 nan 0.000 0.511 1222 V N 7.171 126.414 119.914 -1.117 0.000 2.733 1222 V HA 0.522 4.642 4.120 0.000 0.000 0.306 1222 V C -0.869 174.621 176.094 -1.006 0.000 1.084 1222 V CA -0.813 61.024 62.300 -0.773 0.000 0.905 1222 V CB 1.774 33.406 31.823 -0.319 0.000 1.010 1222 V HN 0.870 nan 8.190 nan 0.000 0.424 1223 R N 4.159 124.314 120.500 -0.574 0.000 2.490 1223 R HA 0.243 4.583 4.340 0.000 0.000 0.280 1223 R C 0.519 176.747 176.300 -0.120 0.000 1.077 1223 R CA -0.421 55.529 56.100 -0.249 0.000 1.065 1223 R CB 0.632 30.937 30.300 0.008 0.000 1.003 1223 R HN 0.759 nan 8.270 nan 0.000 0.470 1224 D N 1.577 121.946 120.400 -0.051 0.000 2.158 1224 D HA -0.210 4.430 4.640 0.000 0.000 0.197 1224 D C 1.689 178.063 176.300 0.123 0.000 0.995 1224 D CA 1.549 55.564 54.000 0.026 0.000 0.846 1224 D CB 0.177 41.001 40.800 0.041 0.000 0.941 1224 D HN 0.449 nan 8.370 nan 0.000 0.456 1225 Q N 0.812 120.632 119.800 0.032 0.000 2.170 1225 Q HA -0.115 4.225 4.340 0.000 0.000 0.203 1225 Q C 1.598 177.642 176.000 0.072 0.000 0.976 1225 Q CA 1.305 57.115 55.803 0.012 0.000 0.858 1225 Q CB -0.074 28.648 28.738 -0.026 0.000 0.907 1225 Q HN 0.367 nan 8.270 nan 0.000 0.433 1226 E N -1.275 118.952 120.200 0.046 0.000 2.208 1226 E HA -0.082 4.268 4.350 0.000 0.000 0.193 1226 E C 1.810 178.450 176.600 0.066 0.000 0.988 1226 E CA 0.930 57.362 56.400 0.053 0.000 0.828 1226 E CB 0.216 29.930 29.700 0.023 0.000 0.763 1226 E HN 0.175 nan 8.360 nan 0.000 0.478 1227 V N 0.701 120.638 119.914 0.038 0.000 2.358 1227 V HA -0.241 3.879 4.120 0.000 0.000 0.246 1227 V C 1.769 177.816 176.094 -0.079 0.000 1.047 1227 V CA 1.942 64.216 62.300 -0.043 0.000 1.035 1227 V CB -0.565 31.160 31.823 -0.164 0.000 0.658 1227 V HN 0.257 nan 8.190 nan 0.000 0.452 1228 H N 0.508 119.521 119.070 -0.093 0.000 2.353 1228 H HA -0.051 4.505 4.556 0.000 0.000 0.300 1228 H C 2.280 177.594 175.328 -0.024 0.000 1.090 1228 H CA 1.833 57.837 56.048 -0.074 0.000 1.327 1228 H CB -0.536 29.191 29.762 -0.059 0.000 1.383 1228 H HN 0.427 nan 8.280 nan 0.000 0.508 1229 A N 0.211 123.105 122.820 0.123 0.000 1.865 1229 A HA -0.167 4.153 4.320 0.000 0.000 0.217 1229 A C 2.644 180.271 177.584 0.072 0.000 1.191 1229 A CA 1.931 54.017 52.037 0.083 0.000 0.623 1229 A CB -1.000 18.045 19.000 0.076 0.000 0.826 1229 A HN 0.254 nan 8.150 nan 0.000 0.444 1230 V N -0.433 119.537 119.914 0.093 0.000 2.343 1230 V HA -0.235 3.885 4.120 0.000 0.000 0.247 1230 V C 2.601 178.796 176.094 0.169 0.000 1.051 1230 V CA 1.985 64.354 62.300 0.115 0.000 1.036 1230 V CB -0.662 31.263 31.823 0.170 0.000 0.654 1230 V HN 0.375 nan 8.190 nan 0.000 0.451 1231 V N -0.674 119.308 119.914 0.115 0.000 2.295 1231 V HA -0.280 3.840 4.120 0.000 0.000 0.246 1231 V C 2.600 178.778 176.094 0.139 0.000 1.049 1231 V CA 1.883 64.258 62.300 0.125 0.000 1.024 1231 V CB -0.612 31.173 31.823 -0.064 0.000 0.648 1231 V HN 0.519 nan 8.190 nan 0.000 0.447 1232 Q N -0.392 119.454 119.800 0.076 0.000 2.061 1232 Q HA -0.266 4.074 4.340 0.000 0.000 0.204 1232 Q C 2.094 178.124 176.000 0.049 0.000 0.984 1232 Q CA 2.260 58.100 55.803 0.063 0.000 0.846 1232 Q CB -0.603 28.163 28.738 0.048 0.000 0.902 1232 Q HN 0.751 nan 8.270 nan 0.000 0.421 1233 D N -0.797 119.611 120.400 0.015 0.000 2.116 1233 D HA -0.195 4.445 4.640 0.000 0.000 0.193 1233 D C 1.582 177.801 176.300 -0.135 0.000 0.998 1233 D CA 1.392 55.337 54.000 -0.090 0.000 0.836 1233 D CB -0.168 40.536 40.800 -0.160 0.000 0.951 1233 D HN 0.270 nan 8.370 nan 0.000 0.449 1234 W N 0.547 121.855 121.300 0.014 0.000 2.388 1234 W HA 0.025 4.685 4.660 -0.000 0.000 0.294 1234 W C 2.337 178.884 176.519 0.046 0.000 1.212 1234 W CA 0.652 58.028 57.345 0.052 0.000 1.271 1234 W CB 0.057 29.585 29.460 0.114 0.000 1.126 1234 W HN -0.068 nan 8.180 nan 0.000 0.535 1235 K N -0.230 120.317 120.400 0.245 0.000 2.365 1235 K HA -0.031 4.289 4.320 0.000 0.000 0.199 1235 K C 2.040 178.690 176.600 0.083 0.000 1.045 1235 K CA 0.983 57.363 56.287 0.156 0.000 0.962 1235 K CB -0.275 32.292 32.500 0.111 0.000 0.759 1235 K HN 0.080 nan 8.250 nan 0.000 0.469 1236 A N 1.279 124.125 122.820 0.043 0.000 2.066 1236 A HA -0.084 4.236 4.320 0.000 0.000 0.218 1236 A C 1.779 179.357 177.584 -0.010 0.000 1.157 1236 A CA 0.834 52.872 52.037 0.000 0.000 0.670 1236 A CB -0.125 18.855 19.000 -0.032 0.000 0.804 1236 A HN 0.181 nan 8.150 nan 0.000 0.453 1237 R N -0.996 119.503 120.500 -0.002 0.000 2.240 1237 R HA 0.294 4.634 4.340 0.000 0.000 0.203 1237 R C 0.699 177.022 176.300 0.039 0.000 1.011 1237 R CA 0.586 56.682 56.100 -0.007 0.000 1.007 1237 R CB 0.102 30.372 30.300 -0.050 0.000 0.911 1237 R HN 0.517 nan 8.270 nan 0.000 0.468 1238 G N 0.924 109.760 108.800 0.060 0.000 2.350 1238 G HA2 0.007 3.967 3.960 0.000 0.000 0.305 1238 G HA3 0.007 3.967 3.960 0.000 0.000 0.305 1238 G C -1.513 173.408 174.900 0.035 0.000 1.479 1238 G CA -1.209 43.913 45.100 0.037 0.000 0.949 1238 G HN 0.147 nan 8.290 nan 0.000 0.651 1239 R N 0.518 121.009 120.500 -0.015 0.000 2.532 1239 R HA 0.726 5.066 4.340 0.000 0.000 0.272 1239 R C -2.371 173.858 176.300 -0.118 0.000 1.032 1239 R CA -1.541 54.523 56.100 -0.059 0.000 1.089 1239 R CB 1.202 31.447 30.300 -0.091 0.000 1.098 1239 R HN 0.431 nan 8.270 nan 0.000 0.526 1240 P HA -0.005 nan 4.420 nan 0.000 0.275 1240 P C -1.049 176.019 177.300 -0.386 0.000 1.228 1240 P CA -0.362 62.583 63.100 -0.259 0.000 0.786 1240 P CB 0.970 32.532 31.700 -0.230 0.000 0.927 1241 Q N 2.584 122.264 119.800 -0.199 0.000 2.673 1241 Q HA 0.199 4.539 4.340 0.000 0.000 0.224 1241 Q C -0.844 175.143 176.000 -0.021 0.000 1.226 1241 Q CA -0.424 55.304 55.803 -0.126 0.000 1.019 1241 Q CB -1.139 27.567 28.738 -0.053 0.000 1.312 1241 Q HN 0.331 nan 8.270 nan 0.000 0.566 1242 Y N 1.002 121.287 120.300 -0.024 0.000 2.702 1242 Y HA 0.075 4.625 4.550 -0.000 0.000 0.336 1242 Y C 0.503 176.371 175.900 -0.053 0.000 1.235 1242 Y CA -0.715 57.356 58.100 -0.047 0.000 1.492 1242 Y CB 0.690 39.124 38.460 -0.043 0.000 1.308 1242 Y HN 0.153 nan 8.280 nan 0.000 0.589 1243 V N 3.926 123.885 119.914 0.076 0.000 2.481 1243 V HA 0.073 4.193 4.120 0.000 0.000 0.286 1243 V C -0.128 175.938 176.094 -0.045 0.000 1.042 1243 V CA -0.717 61.582 62.300 -0.002 0.000 0.928 1243 V CB 1.417 33.185 31.823 -0.091 0.000 0.986 1243 V HN 0.682 nan 8.190 nan 0.000 0.462 1244 D N 2.439 122.848 120.400 0.015 0.000 2.304 1244 D HA 0.523 5.163 4.640 0.000 0.000 0.247 1244 D C 1.063 177.370 176.300 0.012 0.000 1.089 1244 D CA 1.234 55.239 54.000 0.009 0.000 0.910 1244 D CB 1.555 42.383 40.800 0.047 0.000 1.199 1244 D HN 0.827 nan 8.370 nan 0.000 0.426 1245 G N 1.261 110.057 108.800 -0.006 0.000 2.320 1245 G HA2 -0.353 3.607 3.960 0.000 0.000 0.242 1245 G HA3 -0.353 3.607 3.960 0.000 0.000 0.242 1245 G C 1.451 176.349 174.900 -0.003 0.000 1.033 1245 G CA 0.372 45.495 45.100 0.038 0.000 0.620 1245 G HN 0.538 nan 8.290 nan 0.000 0.517 1246 I N 0.670 121.094 120.570 -0.243 0.000 2.121 1246 I HA -0.275 3.895 4.170 0.000 0.000 0.243 1246 I C 2.802 178.837 176.117 -0.137 0.000 1.047 1246 I CA 2.438 63.457 61.300 -0.469 0.000 1.308 1246 I CB -0.577 36.951 38.000 -0.787 0.000 1.015 1246 I HN 0.357 nan 8.210 nan 0.000 0.410 1247 T N -0.186 114.291 114.554 -0.129 0.000 2.937 1247 T HA -0.035 4.315 4.350 0.000 0.000 0.260 1247 T C 1.297 175.986 174.700 -0.018 0.000 1.051 1247 T CA 1.107 63.166 62.100 -0.068 0.000 1.141 1247 T CB -0.108 68.704 68.868 -0.093 0.000 0.879 1247 T HN 0.458 nan 8.240 nan 0.000 0.459 1248 S N 1.274 116.969 115.700 -0.009 0.000 3.811 1248 S HA 0.531 5.001 4.470 0.000 0.000 0.205 1248 S C -0.030 174.596 174.600 0.043 0.000 1.445 1248 S CA 0.094 58.302 58.200 0.014 0.000 1.097 1248 S CB -1.109 62.099 63.200 0.012 0.000 1.350 1248 S HN 0.603 nan 8.310 nan 0.000 0.471 1249 D N 0.000 120.432 120.400 0.054 0.000 6.856 1249 D HA 0.000 4.640 4.640 0.000 0.000 0.175 1249 D CA 0.000 nan 54.000 nan 0.000 0.868 1249 D CB 0.000 nan 40.800 nan 0.000 0.688 1249 D HN 0.000 nan 8.370 nan 0.000 0.683