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_D DATA FIRST_RESID 840 DATA SEQUENCE LPSLDLLTPP XXXXXPXXTF 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 0.000 176.728 176.870 -0.237 0.000 1.165 840 L CA 0.000 54.755 54.840 -0.141 0.000 0.813 840 L CB 0.000 42.104 42.059 0.074 0.000 0.961 841 P HA 0.083 nan 4.420 nan 0.000 0.271 841 P C -0.661 176.605 177.300 -0.057 0.000 1.233 841 P CA -0.157 62.736 63.100 -0.346 0.000 0.789 841 P CB 1.095 32.453 31.700 -0.569 0.000 0.951 842 S N -0.032 115.693 115.700 0.041 0.000 2.616 842 S HA 0.223 4.693 4.470 0.000 0.000 0.277 842 S C 1.418 176.192 174.600 0.290 0.000 1.234 842 S CA -0.796 57.494 58.200 0.151 0.000 1.028 842 S CB 0.097 63.334 63.200 0.062 0.000 0.988 842 S HN 0.361 nan 8.310 nan 0.000 0.522 843 L N 2.221 123.568 121.223 0.207 0.000 2.362 843 L HA -0.026 4.314 4.340 0.000 0.000 0.219 843 L C 1.820 178.723 176.870 0.056 0.000 1.134 843 L CA 0.945 55.832 54.840 0.080 0.000 0.807 843 L CB -0.602 41.443 42.059 -0.024 0.000 0.927 843 L HN 0.754 nan 8.230 nan 0.000 0.447 844 D N 0.174 120.611 120.400 0.061 0.000 2.384 844 D HA -0.186 4.454 4.640 0.000 0.000 0.222 844 D C 1.780 178.106 176.300 0.044 0.000 0.976 844 D CA 0.893 54.913 54.000 0.034 0.000 0.915 844 D CB -0.348 40.466 40.800 0.023 0.000 0.896 844 D HN 0.343 nan 8.370 nan 0.000 0.523 845 L N -0.855 120.417 121.223 0.082 0.000 2.558 845 L HA 0.192 4.532 4.340 0.000 0.000 0.225 845 L C 0.780 177.699 176.870 0.082 0.000 1.128 845 L CA 0.114 55.005 54.840 0.085 0.000 0.868 845 L CB -0.100 42.031 42.059 0.119 0.000 1.006 845 L HN 0.017 nan 8.230 nan 0.000 0.454 846 L N -1.066 120.195 121.223 0.063 0.000 2.322 846 L HA 0.370 4.710 4.340 0.000 0.000 0.269 846 L C 0.498 177.377 176.870 0.014 0.000 1.012 846 L CA -0.555 54.307 54.840 0.037 0.000 0.815 846 L CB 1.790 43.842 42.059 -0.011 0.000 1.295 846 L HN -0.155 nan 8.230 nan 0.000 0.438 847 T N 0.935 115.510 114.554 0.035 0.000 2.869 847 T HA 0.399 4.749 4.350 0.000 0.000 0.295 847 T C -2.474 172.140 174.700 -0.144 0.000 0.987 847 T CA -1.276 60.813 62.100 -0.019 0.000 1.109 847 T CB 1.066 69.967 68.868 0.055 0.000 0.932 847 T HN 0.250 nan 8.240 nan 0.000 0.518 848 P HA 0.375 nan 4.420 nan 0.000 0.282 848 P C -2.169 174.816 177.300 -0.525 0.000 1.249 848 P CA -1.508 61.433 63.100 -0.265 0.000 0.806 848 P CB -0.104 31.501 31.700 -0.159 0.000 0.984 859 F N 3.678 123.644 119.950 0.026 0.000 2.113 859 F HA 0.487 5.014 4.527 0.000 0.000 0.297 859 F C 2.536 178.336 175.800 0.000 0.000 1.103 859 F CA 1.631 59.644 58.000 0.021 0.000 1.248 859 F CB -0.749 38.261 39.000 0.018 0.000 0.999 859 F HN 0.350 nan 8.300 nan 0.000 0.475 860 A N 0.633 123.341 122.820 -0.186 0.000 2.076 860 A HA -0.098 4.222 4.320 0.000 0.000 0.220 860 A C 2.296 179.726 177.584 -0.257 0.000 1.160 860 A CA 1.676 53.542 52.037 -0.285 0.000 0.653 860 A CB -1.043 17.904 19.000 -0.088 0.000 0.801 860 A HN 0.532 nan 8.150 nan 0.000 0.455 861 L N -1.484 119.599 121.223 -0.233 0.000 2.022 861 L HA -0.118 4.222 4.340 0.000 0.000 0.204 861 L C 2.597 179.287 176.870 -0.301 0.000 1.076 861 L CA 1.642 56.282 54.840 -0.333 0.000 0.749 861 L CB -0.704 40.945 42.059 -0.683 0.000 0.903 861 L HN 0.439 nan 8.230 nan 0.000 0.439 862 E N -0.415 119.644 120.200 -0.235 0.000 2.160 862 E HA -0.253 4.097 4.350 0.000 0.000 0.195 862 E C 2.299 178.844 176.600 -0.091 0.000 0.991 862 E CA 0.982 57.378 56.400 -0.007 0.000 0.810 862 E CB 0.186 29.975 29.700 0.149 0.000 0.742 862 E HN 0.353 nan 8.360 nan 0.000 0.466 863 Q N -0.250 119.393 119.800 -0.262 0.000 2.050 863 Q HA -0.181 4.160 4.340 0.000 0.000 0.202 863 Q C 2.118 177.991 176.000 -0.211 0.000 0.980 863 Q CA 1.285 56.914 55.803 -0.290 0.000 0.840 863 Q CB -0.268 28.147 28.738 -0.538 0.000 0.898 863 Q HN 0.324 nan 8.270 nan 0.000 0.424 864 M N 0.322 119.790 119.600 -0.220 0.000 2.229 864 M HA 0.006 4.486 4.480 0.000 0.000 0.264 864 M C 1.811 177.876 176.300 -0.393 0.000 1.063 864 M CA 1.495 56.643 55.300 -0.252 0.000 1.114 864 M CB -0.473 32.017 32.600 -0.183 0.000 1.387 864 M HN 0.102 nan 8.290 nan 0.000 0.420 865 A N -0.198 122.456 122.820 -0.277 0.000 1.930 865 A HA -0.150 4.170 4.320 0.000 0.000 0.217 865 A C 2.380 179.877 177.584 -0.145 0.000 1.175 865 A CA 1.775 53.676 52.037 -0.228 0.000 0.627 865 A CB -0.661 18.475 19.000 0.225 0.000 0.815 865 A HN 0.582 nan 8.150 nan 0.000 0.443 866 R N -0.648 119.794 120.500 -0.097 0.000 2.119 866 R HA 0.118 4.459 4.340 0.000 0.000 0.222 866 R C 1.811 178.060 176.300 -0.085 0.000 1.088 866 R CA 0.809 56.872 56.100 -0.062 0.000 0.984 866 R CB -0.240 30.038 30.300 -0.036 0.000 0.884 866 R HN 0.530 nan 8.270 nan 0.000 0.447 867 L N -0.222 120.927 121.223 -0.123 0.000 2.156 867 L HA -0.089 4.251 4.340 0.000 0.000 0.208 867 L C 2.189 178.986 176.870 -0.121 0.000 1.095 867 L CA 0.508 55.284 54.840 -0.107 0.000 0.770 867 L CB -0.190 41.800 42.059 -0.116 0.000 0.914 867 L HN 0.042 nan 8.230 nan 0.000 0.439 868 V N 0.111 119.904 119.914 -0.201 0.000 2.261 868 V HA -0.306 3.814 4.120 0.000 0.000 0.246 868 V C 2.461 178.484 176.094 -0.120 0.000 1.047 868 V CA 2.080 64.253 62.300 -0.212 0.000 1.015 868 V CB -0.401 31.193 31.823 -0.381 0.000 0.642 868 V HN 0.479 nan 8.190 nan 0.000 0.446 869 E N -0.083 120.055 120.200 -0.103 0.000 2.160 869 E HA -0.222 4.129 4.350 0.000 0.000 0.195 869 E C 2.168 178.757 176.600 -0.019 0.000 0.991 869 E CA 1.313 57.684 56.400 -0.049 0.000 0.810 869 E CB -0.194 29.486 29.700 -0.033 0.000 0.742 869 E HN 0.587 nan 8.360 nan 0.000 0.466 870 A N 0.953 123.759 122.820 -0.023 0.000 1.897 870 A HA -0.106 4.214 4.320 0.000 0.000 0.215 870 A C 2.088 179.693 177.584 0.035 0.000 1.181 870 A CA 0.863 52.900 52.037 0.001 0.000 0.620 870 A CB -0.240 18.753 19.000 -0.012 0.000 0.821 870 A HN 0.077 nan 8.150 nan 0.000 0.443 871 R N -0.163 120.358 120.500 0.035 0.000 2.092 871 R HA 0.021 4.361 4.340 0.000 0.000 0.231 871 R C 2.020 178.455 176.300 0.224 0.000 1.119 871 R CA 0.983 57.154 56.100 0.119 0.000 0.970 871 R CB -1.072 29.275 30.300 0.079 0.000 0.864 871 R HN 0.579 nan 8.270 nan 0.000 0.440 872 L N 0.163 121.436 121.223 0.083 0.000 2.027 872 L HA -0.090 4.250 4.340 0.000 0.000 0.206 872 L C 2.487 179.448 176.870 0.152 0.000 1.074 872 L CA 1.390 56.256 54.840 0.042 0.000 0.745 872 L CB -0.620 41.418 42.059 -0.035 0.000 0.898 872 L HN 0.127 nan 8.230 nan 0.000 0.433 873 A N -0.790 122.094 122.820 0.107 0.000 2.121 873 A HA -0.237 4.083 4.320 0.000 0.000 0.218 873 A C 1.876 179.536 177.584 0.126 0.000 1.154 873 A CA 1.594 53.688 52.037 0.095 0.000 0.679 873 A CB -0.497 18.531 19.000 0.047 0.000 0.795 873 A HN 0.356 nan 8.150 nan 0.000 0.458 874 D N -1.337 119.169 120.400 0.177 0.000 2.265 874 D HA -0.032 4.608 4.640 0.000 0.000 0.208 874 D C 0.206 176.493 176.300 -0.022 0.000 0.977 874 D CA 0.744 54.782 54.000 0.063 0.000 0.871 874 D CB -0.048 40.772 40.800 0.033 0.000 0.925 874 D HN 0.345 nan 8.370 nan 0.000 0.485 875 F N -1.045 118.897 119.950 -0.013 0.000 2.544 875 F HA 0.415 4.942 4.527 0.000 0.000 0.378 875 F C 1.264 177.059 175.800 -0.007 0.000 1.112 875 F CA -1.108 56.886 58.000 -0.009 0.000 1.115 875 F CB 0.185 39.179 39.000 -0.009 0.000 1.436 875 F HN -0.493 nan 8.300 nan 0.000 0.496 876 R N 1.086 121.718 120.500 0.220 0.000 3.298 876 R HA 0.331 4.671 4.340 0.000 0.000 0.249 876 R C -1.282 175.074 176.300 0.094 0.000 1.563 876 R CA 0.375 56.543 56.100 0.114 0.000 1.378 876 R CB -1.643 28.706 30.300 0.082 0.000 1.250 876 R HN 0.510 nan 8.270 nan 0.000 0.580 877 I N 1.093 121.729 120.570 0.111 0.000 2.405 877 I HA 0.254 4.424 4.170 0.000 0.000 0.280 877 I C -0.106 176.034 176.117 0.039 0.000 1.027 877 I CA -0.755 60.573 61.300 0.047 0.000 1.161 877 I CB 1.331 39.322 38.000 -0.015 0.000 1.300 877 I HN -0.048 nan 8.210 nan 0.000 0.463 878 K N 5.894 126.311 120.400 0.028 0.000 2.213 878 K HA 0.833 5.153 4.320 0.000 0.000 0.270 878 K C -1.186 175.420 176.600 0.010 0.000 1.002 878 K CA -0.222 56.078 56.287 0.021 0.000 0.868 878 K CB 1.811 34.324 32.500 0.022 0.000 1.093 878 K HN 0.746 nan 8.250 nan 0.000 0.454 879 A N 3.981 126.802 122.820 0.003 0.000 2.566 879 A HA 0.382 4.702 4.320 0.000 0.000 0.297 879 A C -1.766 175.809 177.584 -0.015 0.000 1.059 879 A CA -0.920 51.114 52.037 -0.005 0.000 0.691 879 A CB 1.105 20.100 19.000 -0.009 0.000 1.282 879 A HN 0.664 nan 8.150 nan 0.000 0.401 880 D N 1.144 121.528 120.400 -0.028 0.000 2.168 880 D HA 0.426 5.067 4.640 0.000 0.000 0.246 880 D C -0.231 176.034 176.300 -0.059 0.000 1.050 880 D CA -0.124 53.854 54.000 -0.038 0.000 0.857 880 D CB 1.949 42.721 40.800 -0.047 0.000 1.169 880 D HN 0.169 nan 8.370 nan 0.000 0.453 881 V N 3.077 122.979 119.914 -0.020 0.000 2.276 881 V HA -0.014 4.106 4.120 0.000 0.000 0.249 881 V C 1.794 177.876 176.094 -0.019 0.000 1.160 881 V CA -0.251 62.065 62.300 0.027 0.000 1.042 881 V CB 0.396 32.297 31.823 0.130 0.000 1.224 881 V HN 0.498 nan 8.190 nan 0.000 0.496 882 V N 1.440 121.253 119.914 -0.169 0.000 2.809 882 V HA 0.079 4.199 4.120 0.000 0.000 0.256 882 V C 0.750 176.725 176.094 -0.199 0.000 1.080 882 V CA 1.398 63.554 62.300 -0.239 0.000 1.102 882 V CB -0.760 30.753 31.823 -0.516 0.000 0.705 882 V HN 0.870 nan 8.190 nan 0.000 0.475 883 N N -0.987 117.621 118.700 -0.154 0.000 3.227 883 N HA 0.441 5.181 4.740 0.000 0.000 0.241 883 N C -2.253 173.192 175.510 -0.108 0.000 1.480 883 N CA -0.181 52.725 53.050 -0.241 0.000 0.886 883 N CB 1.983 40.366 38.487 -0.172 0.000 1.406 883 N HN 0.315 nan 8.380 nan 0.000 0.514 884 Y N -1.054 119.186 120.300 -0.101 0.000 2.474 884 Y HA 0.465 5.015 4.550 0.000 0.000 0.326 884 Y C -1.668 174.098 175.900 -0.224 0.000 1.160 884 Y CA -1.162 56.776 58.100 -0.269 0.000 1.056 884 Y CB 0.640 38.737 38.460 -0.606 0.000 1.330 884 Y HN 0.329 nan 8.280 nan 0.000 0.447 885 S N 3.315 119.006 115.700 -0.015 0.000 2.640 885 S HA 0.677 5.147 4.470 0.000 0.000 0.320 885 S C -3.026 171.551 174.600 -0.038 0.000 1.097 885 S CA -1.444 56.752 58.200 -0.007 0.000 1.092 885 S CB 1.851 65.046 63.200 -0.008 0.000 0.988 885 S HN 0.591 nan 8.310 nan 0.000 0.470 886 P HA 0.535 nan 4.420 nan 0.000 0.278 886 P C 0.137 177.431 177.300 -0.009 0.000 1.238 886 P CA -0.010 63.061 63.100 -0.047 0.000 0.794 886 P CB 1.357 33.032 31.700 -0.042 0.000 0.955 887 G N 1.358 110.156 108.800 -0.003 0.000 3.022 887 G HA2 0.491 4.451 3.960 0.000 0.000 0.284 887 G HA3 0.491 4.451 3.960 0.000 0.000 0.284 887 G C -2.327 172.575 174.900 0.003 0.000 1.375 887 G CA -1.217 43.899 45.100 0.026 0.000 0.902 887 G HN 0.102 nan 8.290 nan 0.000 0.538 888 P HA 0.001 nan 4.420 nan 0.000 0.218 888 P C 1.327 178.550 177.300 -0.128 0.000 1.148 888 P CA 0.933 64.013 63.100 -0.034 0.000 0.822 888 P CB 0.280 31.984 31.700 0.007 0.000 0.784 889 V N -2.425 117.345 119.914 -0.240 0.000 3.058 889 V HA 0.173 4.294 4.120 0.000 0.000 0.233 889 V C 1.104 177.094 176.094 -0.174 0.000 1.255 889 V CA 0.350 62.448 62.300 -0.337 0.000 1.267 889 V CB -0.285 31.031 31.823 -0.845 0.000 1.049 889 V HN -0.083 nan 8.190 nan 0.000 0.486 890 I N -2.085 118.431 120.570 -0.091 0.000 3.264 890 I HA 0.813 4.983 4.170 0.000 0.000 0.309 890 I C -0.459 175.660 176.117 0.005 0.000 1.099 890 I CA -0.429 60.872 61.300 0.001 0.000 0.989 890 I CB 1.897 39.941 38.000 0.073 0.000 1.250 890 I HN -0.141 nan 8.210 nan 0.000 0.478 891 T N 1.171 115.726 114.554 0.002 0.000 2.881 891 T HA 0.470 4.820 4.350 0.000 0.000 0.290 891 T C -0.764 173.881 174.700 -0.093 0.000 1.000 891 T CA -0.545 61.492 62.100 -0.106 0.000 0.978 891 T CB 1.335 70.060 68.868 -0.238 0.000 0.997 891 T HN 0.683 nan 8.240 nan 0.000 0.443 892 R N 2.905 123.334 120.500 -0.118 0.000 2.215 892 R HA 0.460 4.800 4.340 0.000 0.000 0.336 892 R C -1.306 174.946 176.300 -0.079 0.000 0.996 892 R CA -0.503 55.586 56.100 -0.017 0.000 0.847 892 R CB 0.182 30.500 30.300 0.029 0.000 1.127 892 R HN 0.450 nan 8.270 nan 0.000 0.465 893 F N 2.885 122.886 119.950 0.085 0.000 2.411 893 F HA 0.227 4.754 4.527 0.000 0.000 0.350 893 F C 0.401 176.242 175.800 0.069 0.000 1.114 893 F CA -0.373 57.692 58.000 0.108 0.000 1.135 893 F CB 1.523 40.562 39.000 0.064 0.000 1.120 893 F HN 0.388 nan 8.300 nan 0.000 0.495 894 E N 5.131 125.449 120.200 0.197 0.000 2.044 894 E HA 0.320 4.671 4.350 0.000 0.000 0.282 894 E C -0.796 175.794 176.600 -0.016 0.000 1.031 894 E CA -0.338 56.121 56.400 0.100 0.000 0.824 894 E CB 0.953 30.703 29.700 0.083 0.000 1.076 894 E HN 0.484 nan 8.360 nan 0.000 0.395 895 L N 3.027 124.269 121.223 0.030 0.000 2.334 895 L HA 0.317 4.657 4.340 0.000 0.000 0.277 895 L C 0.187 177.037 176.870 -0.034 0.000 1.075 895 L CA -0.840 53.988 54.840 -0.020 0.000 0.804 895 L CB 0.721 42.791 42.059 0.019 0.000 1.174 895 L HN 0.435 nan 8.230 nan 0.000 0.438 896 N N 3.516 122.163 118.700 -0.090 0.000 2.546 896 N HA 0.370 5.110 4.740 0.000 0.000 0.238 896 N C -0.950 174.577 175.510 0.029 0.000 0.984 896 N CA -0.378 52.669 53.050 -0.006 0.000 0.935 896 N CB 0.611 39.037 38.487 -0.101 0.000 1.122 896 N HN 0.475 nan 8.380 nan 0.000 0.510 897 L N 1.977 123.237 121.223 0.062 0.000 2.417 897 L HA 0.471 4.811 4.340 0.000 0.000 0.268 897 L C 1.157 178.051 176.870 0.040 0.000 1.158 897 L CA -0.938 53.926 54.840 0.039 0.000 0.819 897 L CB 0.719 42.801 42.059 0.038 0.000 1.112 897 L HN 0.544 nan 8.230 nan 0.000 0.458 898 A N 3.950 126.787 122.820 0.028 0.000 2.429 898 A HA 0.323 4.643 4.320 0.000 0.000 0.242 898 A C -2.199 175.402 177.584 0.028 0.000 1.088 898 A CA -0.901 51.152 52.037 0.027 0.000 0.784 898 A CB -0.687 18.325 19.000 0.021 0.000 1.038 898 A HN 0.513 nan 8.150 nan 0.000 0.501 899 P HA 0.303 nan 4.420 nan 0.000 0.263 899 P C 1.019 178.331 177.300 0.020 0.000 1.195 899 P CA 1.756 64.871 63.100 0.024 0.000 0.762 899 P CB 0.646 32.359 31.700 0.021 0.000 0.799 900 G N 1.818 110.629 108.800 0.019 0.000 3.211 900 G HA2 -0.256 3.704 3.960 0.000 0.000 0.206 900 G HA3 -0.256 3.704 3.960 0.000 0.000 0.206 900 G C 0.006 174.915 174.900 0.015 0.000 1.418 900 G CA -0.131 44.979 45.100 0.016 0.000 0.958 900 G HN 0.530 nan 8.290 nan 0.000 0.567 901 V N 3.998 123.921 119.914 0.016 0.000 2.742 901 V HA 0.165 4.286 4.120 0.000 0.000 0.302 901 V C 0.750 176.851 176.094 0.012 0.000 1.133 901 V CA 0.644 62.952 62.300 0.013 0.000 1.284 901 V CB 0.481 32.312 31.823 0.013 0.000 0.850 901 V HN 0.487 nan 8.190 nan 0.000 0.494 902 K N 4.240 124.645 120.400 0.007 0.000 2.144 902 K HA 0.519 4.839 4.320 0.000 0.000 0.270 902 K C 1.168 177.769 176.600 0.002 0.000 1.005 902 K CA 0.113 56.404 56.287 0.006 0.000 0.932 902 K CB 1.328 33.830 32.500 0.004 0.000 1.021 902 K HN 0.657 nan 8.250 nan 0.000 0.462 903 A N 1.961 124.784 122.820 0.005 0.000 1.969 903 A HA -0.115 4.205 4.320 0.000 0.000 0.218 903 A C 2.059 179.638 177.584 -0.007 0.000 1.169 903 A CA 1.915 53.954 52.037 0.003 0.000 0.635 903 A CB -0.508 18.499 19.000 0.012 0.000 0.810 903 A HN 0.771 nan 8.150 nan 0.000 0.445 904 A N -0.259 122.558 122.820 -0.006 0.000 2.019 904 A HA -0.168 4.153 4.320 0.000 0.000 0.219 904 A C 2.175 179.748 177.584 -0.018 0.000 1.164 904 A CA 1.623 53.655 52.037 -0.009 0.000 0.644 904 A CB -0.493 18.505 19.000 -0.004 0.000 0.805 904 A HN 0.569 nan 8.150 nan 0.000 0.449 905 R N -0.597 119.891 120.500 -0.020 0.000 2.081 905 R HA -0.127 4.213 4.340 0.000 0.000 0.235 905 R C 1.661 177.923 176.300 -0.063 0.000 1.131 905 R CA 1.919 58.001 56.100 -0.031 0.000 0.960 905 R CB -0.338 29.948 30.300 -0.023 0.000 0.856 905 R HN 0.487 nan 8.270 nan 0.000 0.436 906 I N 0.346 120.874 120.570 -0.071 0.000 2.406 906 I HA -0.147 4.023 4.170 0.000 0.000 0.249 906 I C 2.234 178.298 176.117 -0.088 0.000 1.122 906 I CA 0.940 62.174 61.300 -0.110 0.000 1.431 906 I CB -0.134 37.811 38.000 -0.091 0.000 1.087 906 I HN 0.048 nan 8.210 nan 0.000 0.424 907 S N 1.038 116.708 115.700 -0.050 0.000 2.353 907 S HA -0.197 4.273 4.470 0.000 0.000 0.222 907 S C 1.670 176.250 174.600 -0.034 0.000 1.035 907 S CA 1.722 59.903 58.200 -0.033 0.000 1.025 907 S CB -0.657 62.533 63.200 -0.017 0.000 0.902 907 S HN 0.451 nan 8.310 nan 0.000 0.440 908 N N 0.887 119.568 118.700 -0.031 0.000 2.635 908 N HA 0.041 4.782 4.740 0.000 0.000 0.191 908 N C 0.916 176.407 175.510 -0.032 0.000 1.155 908 N CA 0.258 53.294 53.050 -0.022 0.000 0.927 908 N CB -0.069 38.410 38.487 -0.013 0.000 0.976 908 N HN 0.195 nan 8.380 nan 0.000 0.448 909 L N -0.800 120.383 121.223 -0.067 0.000 2.781 909 L HA 0.217 4.557 4.340 0.000 0.000 0.245 909 L C 1.811 178.625 176.870 -0.093 0.000 1.118 909 L CA 0.250 55.028 54.840 -0.103 0.000 0.918 909 L CB -0.471 41.447 42.059 -0.235 0.000 1.246 909 L HN 0.097 nan 8.230 nan 0.000 0.526 910 S N -0.058 115.601 115.700 -0.068 0.000 2.390 910 S HA -0.365 4.105 4.470 0.000 0.000 0.234 910 S C 2.177 176.761 174.600 -0.027 0.000 1.063 910 S CA 1.736 59.908 58.200 -0.047 0.000 1.108 910 S CB -0.538 62.648 63.200 -0.024 0.000 0.975 910 S HN 0.369 nan 8.310 nan 0.000 0.442 911 R N 1.906 122.399 120.500 -0.011 0.000 2.097 911 R HA -0.053 4.287 4.340 0.000 0.000 0.236 911 R C 2.052 178.361 176.300 0.015 0.000 1.135 911 R CA 2.118 58.221 56.100 0.005 0.000 0.934 911 R CB -1.237 29.071 30.300 0.012 0.000 0.846 911 R HN 0.573 nan 8.270 nan 0.000 0.431 912 D N -0.059 120.357 120.400 0.028 0.000 2.084 912 D HA -0.163 4.477 4.640 0.000 0.000 0.194 912 D C 1.968 178.310 176.300 0.071 0.000 0.990 912 D CA 0.948 54.991 54.000 0.073 0.000 0.826 912 D CB -0.452 40.435 40.800 0.145 0.000 0.971 912 D HN 0.151 nan 8.370 nan 0.000 0.453 913 L N 0.502 121.729 121.223 0.006 0.000 2.043 913 L HA -0.240 4.101 4.340 0.000 0.000 0.212 913 L C 2.222 179.087 176.870 -0.008 0.000 1.075 913 L CA 1.493 56.319 54.840 -0.024 0.000 0.752 913 L CB -0.211 41.770 42.059 -0.129 0.000 0.891 913 L HN -0.005 nan 8.230 nan 0.000 0.432 914 A N -0.333 122.481 122.820 -0.010 0.000 1.933 914 A HA -0.278 4.042 4.320 0.000 0.000 0.218 914 A C 2.360 179.946 177.584 0.003 0.000 1.175 914 A CA 1.862 53.895 52.037 -0.007 0.000 0.628 914 A CB -0.579 18.420 19.000 -0.001 0.000 0.814 914 A HN 0.481 nan 8.150 nan 0.000 0.444 915 R N -0.288 120.222 120.500 0.017 0.000 2.276 915 R HA 0.017 4.357 4.340 0.000 0.000 0.203 915 R C 1.559 177.873 176.300 0.025 0.000 1.017 915 R CA 1.033 57.145 56.100 0.020 0.000 1.010 915 R CB -0.128 30.189 30.300 0.028 0.000 0.900 915 R HN 0.471 nan 8.270 nan 0.000 0.469 916 S N -0.009 115.714 115.700 0.038 0.000 2.481 916 S HA 0.054 4.524 4.470 0.000 0.000 0.231 916 S C -0.029 174.577 174.600 0.010 0.000 0.996 916 S CA 0.502 58.730 58.200 0.046 0.000 0.942 916 S CB 0.100 63.359 63.200 0.098 0.000 0.768 916 S HN 0.058 nan 8.310 nan 0.000 0.520 917 L N -0.752 120.466 121.223 -0.008 0.000 2.277 917 L HA 0.474 4.814 4.340 0.000 0.000 0.254 917 L C 0.330 177.188 176.870 -0.020 0.000 1.044 917 L CA -0.383 54.440 54.840 -0.027 0.000 0.842 917 L CB 1.148 43.175 42.059 -0.054 0.000 1.422 917 L HN -0.202 nan 8.230 nan 0.000 0.422 918 S N 0.343 116.028 115.700 -0.024 0.000 3.869 918 S HA 0.462 4.932 4.470 0.000 0.000 0.241 918 S C -0.448 174.142 174.600 -0.016 0.000 1.363 918 S CA -0.250 57.940 58.200 -0.017 0.000 0.894 918 S CB -1.129 62.062 63.200 -0.016 0.000 1.519 918 S HN 0.694 nan 8.310 nan 0.000 0.470 919 T N -0.044 114.503 114.554 -0.012 0.000 2.921 919 T HA 0.387 4.737 4.350 0.000 0.000 0.297 919 T C 1.185 175.884 174.700 -0.001 0.000 1.013 919 T CA -0.827 61.268 62.100 -0.007 0.000 0.990 919 T CB 1.218 70.081 68.868 -0.008 0.000 1.023 919 T HN 0.026 nan 8.240 nan 0.000 0.447 920 V N 1.502 121.417 119.914 0.001 0.000 2.317 920 V HA 0.118 4.238 4.120 0.000 0.000 0.251 920 V C 1.493 177.593 176.094 0.010 0.000 1.065 920 V CA 2.282 64.585 62.300 0.005 0.000 1.049 920 V CB -1.254 30.573 31.823 0.007 0.000 0.651 920 V HN 1.303 nan 8.190 nan 0.000 0.450 921 A N -1.939 120.888 122.820 0.012 0.000 2.601 921 A HA 0.694 5.014 4.320 0.000 0.000 0.291 921 A C -1.471 176.123 177.584 0.017 0.000 1.075 921 A CA -0.386 51.660 52.037 0.015 0.000 0.671 921 A CB 1.722 20.735 19.000 0.022 0.000 1.277 921 A HN 0.042 nan 8.150 nan 0.000 0.417 922 V N 0.685 120.608 119.914 0.014 0.000 2.709 922 V HA 0.696 4.816 4.120 0.000 0.000 0.308 922 V C -0.106 176.001 176.094 0.021 0.000 1.062 922 V CA -0.587 61.723 62.300 0.017 0.000 0.901 922 V CB 1.902 33.723 31.823 -0.003 0.000 1.003 922 V HN 0.972 nan 8.190 nan 0.000 0.425 923 R N 2.955 123.476 120.500 0.036 0.000 2.343 923 R HA 0.699 5.039 4.340 0.000 0.000 0.320 923 R C -1.496 174.825 176.300 0.034 0.000 0.956 923 R CA -0.399 55.721 56.100 0.034 0.000 0.836 923 R CB 1.738 32.065 30.300 0.045 0.000 1.151 923 R HN 0.541 nan 8.270 nan 0.000 0.450 924 V N 6.000 125.925 119.914 0.019 0.000 2.385 924 V HA 0.191 4.311 4.120 0.000 0.000 0.269 924 V C -0.237 175.871 176.094 0.023 0.000 1.043 924 V CA -0.538 61.772 62.300 0.017 0.000 0.906 924 V CB 1.419 33.240 31.823 -0.003 0.000 0.995 924 V HN 0.527 nan 8.190 nan 0.000 0.467 925 V N 4.896 124.830 119.914 0.035 0.000 2.318 925 V HA 0.192 4.312 4.120 0.000 0.000 0.271 925 V C 1.310 177.423 176.094 0.032 0.000 1.030 925 V CA -0.179 62.140 62.300 0.033 0.000 0.844 925 V CB 0.960 32.808 31.823 0.041 0.000 1.015 925 V HN 1.011 nan 8.190 nan 0.000 0.460 926 E N 4.062 124.275 120.200 0.022 0.000 2.130 926 E HA -0.175 4.175 4.350 0.000 0.000 0.196 926 E C 0.582 177.195 176.600 0.023 0.000 0.998 926 E CA 1.254 57.665 56.400 0.020 0.000 0.806 926 E CB 0.367 30.073 29.700 0.011 0.000 0.738 926 E HN 0.514 nan 8.360 nan 0.000 0.459 927 V N 1.139 121.065 119.914 0.020 0.000 2.524 927 V HA 0.322 4.442 4.120 0.000 0.000 0.297 927 V C -1.032 175.072 176.094 0.018 0.000 1.035 927 V CA -0.724 61.585 62.300 0.015 0.000 0.867 927 V CB 1.553 33.378 31.823 0.004 0.000 1.004 927 V HN 0.082 nan 8.190 nan 0.000 0.426 928 I N 9.818 130.401 120.570 0.022 0.000 2.291 928 I HA 0.345 4.515 4.170 0.000 0.000 0.292 928 I C -1.868 174.249 176.117 -0.000 0.000 1.064 928 I CA -1.847 59.467 61.300 0.024 0.000 1.269 928 I CB 1.669 39.702 38.000 0.055 0.000 1.418 928 I HN 0.493 nan 8.210 nan 0.000 0.485 929 P HA -0.070 nan 4.420 nan 0.000 0.253 929 P C 0.846 178.135 177.300 -0.019 0.000 1.159 929 P CA 0.912 64.006 63.100 -0.010 0.000 0.779 929 P CB 0.448 32.146 31.700 -0.003 0.000 0.745 930 G N 2.712 111.491 108.800 -0.035 0.000 2.194 930 G HA2 -0.193 3.767 3.960 0.000 0.000 0.236 930 G HA3 -0.193 3.767 3.960 0.000 0.000 0.236 930 G C -0.059 174.788 174.900 -0.087 0.000 0.987 930 G CA -0.146 44.925 45.100 -0.048 0.000 0.635 930 G HN 0.581 nan 8.290 nan 0.000 0.520 931 K N 0.148 120.479 120.400 -0.116 0.000 2.435 931 K HA 0.533 4.854 4.320 0.000 0.000 0.251 931 K C -2.061 174.356 176.600 -0.305 0.000 0.954 931 K CA -1.523 54.612 56.287 -0.253 0.000 0.820 931 K CB 2.993 35.351 32.500 -0.236 0.000 1.292 931 K HN -0.069 nan 8.250 nan 0.000 0.436 932 P HA -0.058 nan 4.420 nan 0.000 0.245 932 P C -0.660 176.517 177.300 -0.204 0.000 1.212 932 P CA 0.568 63.465 63.100 -0.338 0.000 0.774 932 P CB 0.148 31.653 31.700 -0.324 0.000 0.999 933 Y N -0.857 119.449 120.300 0.010 0.000 2.334 933 Y HA 0.340 4.890 4.550 0.000 0.000 0.325 933 Y C 1.222 177.134 175.900 0.018 0.000 1.308 933 Y CA -1.593 56.517 58.100 0.016 0.000 1.389 933 Y CB 0.690 39.163 38.460 0.022 0.000 1.328 933 Y HN -0.399 nan 8.280 nan 0.000 0.532 934 V N 0.685 120.726 119.914 0.212 0.000 2.617 934 V HA 0.527 4.647 4.120 0.000 0.000 0.298 934 V C 0.330 176.497 176.094 0.122 0.000 1.048 934 V CA -0.613 61.758 62.300 0.119 0.000 0.964 934 V CB 1.445 33.315 31.823 0.077 0.000 1.004 934 V HN 0.899 nan 8.190 nan 0.000 0.466 935 G N 3.438 112.295 108.800 0.096 0.000 2.371 935 G HA2 0.653 4.613 3.960 0.000 0.000 0.326 935 G HA3 0.653 4.613 3.960 0.000 0.000 0.326 935 G C -1.192 173.765 174.900 0.096 0.000 1.127 935 G CA -0.484 44.679 45.100 0.104 0.000 0.885 935 G HN 0.588 nan 8.290 nan 0.000 0.477 936 L N 1.918 123.224 121.223 0.137 0.000 2.415 936 L HA 0.343 4.684 4.340 0.000 0.000 0.268 936 L C -0.439 176.550 176.870 0.198 0.000 0.984 936 L CA -0.476 54.444 54.840 0.134 0.000 0.853 936 L CB 1.890 44.017 42.059 0.114 0.000 1.215 936 L HN 0.566 nan 8.230 nan 0.000 0.419 937 E N 4.996 125.278 120.200 0.137 0.000 2.146 937 E HA 0.521 4.871 4.350 0.000 0.000 0.282 937 E C -1.086 175.595 176.600 0.136 0.000 0.989 937 E CA -0.368 56.118 56.400 0.143 0.000 0.799 937 E CB 1.859 31.621 29.700 0.104 0.000 1.088 937 E HN 0.415 nan 8.360 nan 0.000 0.397 938 L N 5.088 126.419 121.223 0.180 0.000 2.342 938 L HA 0.524 4.864 4.340 0.000 0.000 0.271 938 L C -2.204 174.722 176.870 0.092 0.000 1.008 938 L CA -2.475 52.445 54.840 0.133 0.000 0.818 938 L CB 1.793 43.960 42.059 0.180 0.000 1.296 938 L HN 0.358 nan 8.230 nan 0.000 0.427 939 P HA 0.097 nan 4.420 nan 0.000 0.275 939 P C -1.245 176.061 177.300 0.009 0.000 1.228 939 P CA -0.333 62.775 63.100 0.014 0.000 0.786 939 P CB 0.695 32.396 31.700 0.002 0.000 0.927 940 N N 1.278 119.968 118.700 -0.017 0.000 2.513 940 N HA 0.079 4.819 4.740 0.000 0.000 0.274 940 N C 1.299 176.795 175.510 -0.023 0.000 1.189 940 N CA -0.601 52.437 53.050 -0.021 0.000 0.975 940 N CB 0.915 39.379 38.487 -0.037 0.000 1.157 940 N HN 0.330 nan 8.380 nan 0.000 0.465 941 K N 0.993 121.381 120.400 -0.018 0.000 2.097 941 K HA -0.117 4.203 4.320 0.000 0.000 0.206 941 K C 0.490 177.077 176.600 -0.022 0.000 1.049 941 K CA 1.071 57.347 56.287 -0.018 0.000 0.933 941 K CB 0.076 32.568 32.500 -0.013 0.000 0.717 941 K HN 0.426 nan 8.250 nan 0.000 0.442 942 K N 1.789 122.175 120.400 -0.023 0.000 2.389 942 K HA 0.151 4.471 4.320 0.000 0.000 0.261 942 K C -1.066 175.510 176.600 -0.039 0.000 1.014 942 K CA -0.510 55.761 56.287 -0.026 0.000 0.920 942 K CB 1.139 33.629 32.500 -0.016 0.000 1.149 942 K HN -0.106 nan 8.250 nan 0.000 0.444 943 R N 3.349 123.818 120.500 -0.052 0.000 2.349 943 R HA 0.145 4.485 4.340 0.000 0.000 0.299 943 R C -0.658 175.597 176.300 -0.074 0.000 1.027 943 R CA -0.290 55.765 56.100 -0.075 0.000 0.958 943 R CB 0.947 31.193 30.300 -0.090 0.000 1.047 943 R HN 0.614 nan 8.270 nan 0.000 0.468 944 Q N 1.776 121.528 119.800 -0.080 0.000 2.241 944 Q HA 0.207 4.547 4.340 0.000 0.000 0.254 944 Q C -0.595 175.344 176.000 -0.102 0.000 0.917 944 Q CA -0.497 55.271 55.803 -0.058 0.000 0.919 944 Q CB 2.198 30.921 28.738 -0.025 0.000 1.237 944 Q HN 0.570 nan 8.270 nan 0.000 0.434 945 T N 1.465 115.940 114.554 -0.132 0.000 2.910 945 T HA 0.249 4.599 4.350 0.000 0.000 0.293 945 T C -0.237 174.295 174.700 -0.281 0.000 1.015 945 T CA -0.412 61.507 62.100 -0.301 0.000 1.094 945 T CB 0.700 69.229 68.868 -0.564 0.000 0.968 945 T HN 0.242 nan 8.240 nan 0.000 0.521 946 V N 4.161 123.927 119.914 -0.246 0.000 2.347 946 V HA 0.335 4.455 4.120 0.000 0.000 0.280 946 V C -0.863 175.146 176.094 -0.141 0.000 1.021 946 V CA -0.907 61.340 62.300 -0.087 0.000 0.847 946 V CB 0.146 31.986 31.823 0.027 0.000 0.990 946 V HN 0.747 nan 8.190 nan 0.000 0.444 947 Y N 3.297 123.643 120.300 0.078 0.000 2.310 947 Y HA 0.328 4.878 4.550 0.000 0.000 0.326 947 Y C 1.133 177.039 175.900 0.011 0.000 1.151 947 Y CA -0.528 57.620 58.100 0.080 0.000 1.195 947 Y CB 1.167 39.659 38.460 0.053 0.000 1.210 947 Y HN 0.460 nan 8.280 nan 0.000 0.483 948 L N 2.368 123.661 121.223 0.116 0.000 1.971 948 L HA -0.286 4.054 4.340 0.000 0.000 0.215 948 L C 2.612 179.424 176.870 -0.096 0.000 1.072 948 L CA 1.908 56.730 54.840 -0.030 0.000 0.758 948 L CB -0.232 41.777 42.059 -0.083 0.000 0.889 948 L HN 0.813 nan 8.230 nan 0.000 0.433 949 R N -0.034 120.423 120.500 -0.072 0.000 2.117 949 R HA -0.281 4.059 4.340 0.000 0.000 0.243 949 R C 2.174 178.420 176.300 -0.090 0.000 1.143 949 R CA 2.158 58.176 56.100 -0.136 0.000 0.968 949 R CB -0.278 29.965 30.300 -0.096 0.000 0.863 949 R HN 0.497 nan 8.270 nan 0.000 0.444 950 E N -0.360 119.839 120.200 -0.002 0.000 2.077 950 E HA -0.163 4.187 4.350 0.000 0.000 0.193 950 E C 1.704 178.295 176.600 -0.015 0.000 0.989 950 E CA 1.655 58.061 56.400 0.010 0.000 0.800 950 E CB 0.154 29.901 29.700 0.079 0.000 0.746 950 E HN 0.281 nan 8.360 nan 0.000 0.452 951 V N 1.089 120.981 119.914 -0.036 0.000 2.591 951 V HA -0.169 3.951 4.120 0.000 0.000 0.249 951 V C 2.328 178.344 176.094 -0.129 0.000 1.053 951 V CA 0.965 63.234 62.300 -0.053 0.000 1.068 951 V CB -0.296 31.496 31.823 -0.052 0.000 0.689 951 V HN 0.323 nan 8.190 nan 0.000 0.462 952 L N -0.055 120.998 121.223 -0.283 0.000 2.217 952 L HA -0.105 4.235 4.340 0.000 0.000 0.211 952 L C 2.193 178.977 176.870 -0.144 0.000 1.107 952 L CA 1.379 55.914 54.840 -0.509 0.000 0.783 952 L CB -0.369 41.288 42.059 -0.670 0.000 0.919 952 L HN 0.373 nan 8.230 nan 0.000 0.442 953 D N -0.083 120.271 120.400 -0.076 0.000 2.349 953 D HA -0.063 4.577 4.640 0.000 0.000 0.215 953 D C 0.608 176.938 176.300 0.051 0.000 1.016 953 D CA -0.000 54.002 54.000 0.003 0.000 0.870 953 D CB 0.176 40.965 40.800 -0.019 0.000 0.917 953 D HN 0.256 nan 8.370 nan 0.000 0.524 954 N N -0.939 117.799 118.700 0.064 0.000 2.467 954 N HA 0.194 4.934 4.740 0.000 0.000 0.262 954 N C 0.966 176.541 175.510 0.109 0.000 1.234 954 N CA 0.236 53.331 53.050 0.076 0.000 0.952 954 N CB 1.212 39.739 38.487 0.067 0.000 1.158 954 N HN -0.113 nan 8.380 nan 0.000 0.463 955 A N 1.877 124.741 122.820 0.072 0.000 1.930 955 A HA -0.112 4.208 4.320 0.000 0.000 0.217 955 A C 1.781 179.399 177.584 0.056 0.000 1.175 955 A CA 1.234 53.306 52.037 0.058 0.000 0.627 955 A CB -0.415 18.606 19.000 0.034 0.000 0.815 955 A HN 0.780 nan 8.150 nan 0.000 0.443 956 K N -1.799 118.639 120.400 0.063 0.000 2.160 956 K HA -0.188 4.132 4.320 0.000 0.000 0.206 956 K C 1.645 178.288 176.600 0.073 0.000 1.047 956 K CA 1.767 58.086 56.287 0.053 0.000 0.930 956 K CB -0.269 32.263 32.500 0.054 0.000 0.720 956 K HN 0.595 nan 8.250 nan 0.000 0.450 957 F N 0.867 120.813 119.950 -0.007 0.000 2.243 957 F HA 0.044 4.571 4.527 0.000 0.000 0.287 957 F C 2.339 178.146 175.800 0.012 0.000 1.067 957 F CA 0.663 58.663 58.000 -0.001 0.000 1.304 957 F CB 0.018 39.016 39.000 -0.003 0.000 1.087 957 F HN -0.262 nan 8.300 nan 0.000 0.513 958 R N 0.462 121.006 120.500 0.073 0.000 2.091 958 R HA -0.167 4.173 4.340 0.000 0.000 0.238 958 R C 1.789 178.041 176.300 -0.081 0.000 1.136 958 R CA 2.014 58.118 56.100 0.007 0.000 0.959 958 R CB -0.434 29.926 30.300 0.100 0.000 0.856 958 R HN 0.282 nan 8.270 nan 0.000 0.437 959 D N 0.174 120.541 120.400 -0.056 0.000 2.117 959 D HA -0.117 4.523 4.640 0.000 0.000 0.198 959 D C 0.425 176.670 176.300 -0.092 0.000 0.982 959 D CA 0.638 54.606 54.000 -0.054 0.000 0.828 959 D CB -0.514 40.271 40.800 -0.026 0.000 0.967 959 D HN 0.059 nan 8.370 nan 0.000 0.464 960 N N 1.682 120.299 118.700 -0.139 0.000 2.365 960 N HA -0.057 4.683 4.740 0.000 0.000 0.265 960 N C -1.590 173.823 175.510 -0.162 0.000 1.288 960 N CA -0.607 52.353 53.050 -0.150 0.000 0.869 960 N CB 1.437 39.811 38.487 -0.189 0.000 1.071 960 N HN 0.033 nan 8.380 nan 0.000 0.480 961 P HA -0.057 nan 4.420 nan 0.000 0.225 961 P C 0.336 177.589 177.300 -0.079 0.000 1.156 961 P CA 0.308 63.364 63.100 -0.074 0.000 0.787 961 P CB 0.256 31.935 31.700 -0.036 0.000 0.802 962 S N 2.473 118.109 115.700 -0.107 0.000 2.498 962 S HA 0.126 4.597 4.470 0.000 0.000 0.281 962 S C -1.234 173.273 174.600 -0.155 0.000 1.265 962 S CA -1.185 56.937 58.200 -0.129 0.000 1.071 962 S CB 0.114 63.216 63.200 -0.163 0.000 0.894 962 S HN 0.052 nan 8.310 nan 0.000 0.491 963 P HA 0.046 nan 4.420 nan 0.000 0.242 963 P C 0.388 177.605 177.300 -0.139 0.000 1.197 963 P CA 0.520 63.569 63.100 -0.085 0.000 0.765 963 P CB 0.039 31.741 31.700 0.002 0.000 0.936 964 L N -0.757 120.318 121.223 -0.246 0.000 2.965 964 L HA 0.200 4.541 4.340 0.000 0.000 0.254 964 L C 0.352 177.137 176.870 -0.142 0.000 1.220 964 L CA -0.030 54.663 54.840 -0.245 0.000 1.023 964 L CB -0.084 41.689 42.059 -0.476 0.000 1.355 964 L HN -0.192 nan 8.230 nan 0.000 0.545 965 T N 1.914 116.408 114.554 -0.100 0.000 2.870 965 T HA 0.301 4.651 4.350 0.000 0.000 0.300 965 T C 0.092 174.875 174.700 0.138 0.000 0.989 965 T CA -0.045 62.030 62.100 -0.042 0.000 1.139 965 T CB 1.517 70.278 68.868 -0.179 0.000 0.920 965 T HN 0.112 nan 8.240 nan 0.000 0.537 966 V N 1.237 121.231 119.914 0.133 0.000 2.735 966 V HA 0.712 4.832 4.120 0.000 0.000 0.310 966 V C -0.166 176.012 176.094 0.139 0.000 1.061 966 V CA -1.120 61.278 62.300 0.164 0.000 0.913 966 V CB 1.686 33.558 31.823 0.082 0.000 1.005 966 V HN 0.556 nan 8.190 nan 0.000 0.428 967 V N 4.561 124.529 119.914 0.090 0.000 2.530 967 V HA 0.221 4.341 4.120 0.000 0.000 0.282 967 V C 0.823 176.921 176.094 0.007 0.000 1.048 967 V CA 0.138 62.447 62.300 0.015 0.000 0.997 967 V CB 1.124 32.883 31.823 -0.106 0.000 0.987 967 V HN 0.864 nan 8.190 nan 0.000 0.477 968 L N 3.633 124.847 121.223 -0.016 0.000 2.349 968 L HA 0.589 4.929 4.340 0.000 0.000 0.200 968 L C 1.150 178.025 176.870 0.009 0.000 1.064 968 L CA 1.992 56.818 54.840 -0.023 0.000 0.821 968 L CB -0.327 41.656 42.059 -0.125 0.000 1.027 968 L HN 0.932 nan 8.230 nan 0.000 0.476 969 G N -1.425 107.372 108.800 -0.006 0.000 2.553 969 G HA2 0.094 4.054 3.960 0.000 0.000 0.106 969 G HA3 0.094 4.054 3.960 0.000 0.000 0.106 969 G C -1.086 173.822 174.900 0.014 0.000 1.126 969 G CA -0.645 44.471 45.100 0.026 0.000 1.075 969 G HN -0.082 nan 8.290 nan 0.000 0.472 970 K N 0.943 121.360 120.400 0.029 0.000 2.426 970 K HA 0.514 4.834 4.320 0.000 0.000 0.251 970 K C -1.199 175.376 176.600 -0.043 0.000 0.941 970 K CA -0.615 55.686 56.287 0.024 0.000 0.808 970 K CB 2.307 34.858 32.500 0.084 0.000 1.265 970 K HN 0.745 nan 8.250 nan 0.000 0.432 971 D N 0.691 121.057 120.400 -0.056 0.000 2.411 971 D HA 0.046 4.686 4.640 0.000 0.000 0.251 971 D C 1.410 177.666 176.300 -0.074 0.000 1.201 971 D CA -0.516 53.412 54.000 -0.121 0.000 0.996 971 D CB 0.386 41.142 40.800 -0.073 0.000 1.101 971 D HN 0.570 nan 8.370 nan 0.000 0.504 972 I N -3.337 117.176 120.570 -0.096 0.000 2.399 972 I HA -0.199 3.971 4.170 0.000 0.000 0.254 972 I C 1.651 177.828 176.117 0.099 0.000 1.146 972 I CA 1.725 63.066 61.300 0.069 0.000 1.412 972 I CB -0.529 37.502 38.000 0.052 0.000 1.076 972 I HN 0.338 nan 8.210 nan 0.000 0.432 973 A N 0.795 123.644 122.820 0.047 0.000 2.307 973 A HA 0.509 4.829 4.320 0.000 0.000 0.218 973 A C 1.758 179.370 177.584 0.045 0.000 1.228 973 A CA 0.449 52.510 52.037 0.041 0.000 0.857 973 A CB -0.592 18.421 19.000 0.021 0.000 0.897 973 A HN 0.892 nan 8.150 nan 0.000 0.495 974 G N -0.772 108.067 108.800 0.065 0.000 2.132 974 G HA2 -0.181 3.779 3.960 0.000 0.000 0.234 974 G HA3 -0.181 3.779 3.960 0.000 0.000 0.234 974 G C -0.202 174.723 174.900 0.042 0.000 0.989 974 G CA 0.160 45.298 45.100 0.063 0.000 0.676 974 G HN 0.503 nan 8.290 nan 0.000 0.522 975 E N 1.527 121.742 120.200 0.026 0.000 2.249 975 E HA 0.310 4.660 4.350 0.000 0.000 0.280 975 E C -2.178 174.427 176.600 0.008 0.000 1.016 975 E CA -1.725 54.683 56.400 0.015 0.000 0.830 975 E CB 1.785 31.488 29.700 0.004 0.000 1.081 975 E HN 0.211 nan 8.360 nan 0.000 0.395 976 P HA -0.006 nan 4.420 nan 0.000 0.267 976 P C -0.501 176.794 177.300 -0.008 0.000 1.205 976 P CA 0.064 63.170 63.100 0.010 0.000 0.765 976 P CB 0.668 32.382 31.700 0.023 0.000 0.828 977 V N 4.990 124.889 119.914 -0.026 0.000 2.407 977 V HA 0.246 4.366 4.120 0.000 0.000 0.291 977 V C 0.548 176.605 176.094 -0.062 0.000 1.018 977 V CA -0.567 61.694 62.300 -0.064 0.000 0.842 977 V CB 1.811 33.565 31.823 -0.115 0.000 0.996 977 V HN 0.321 nan 8.190 nan 0.000 0.426 978 V N 2.928 122.815 119.914 -0.045 0.000 2.994 978 V HA 1.022 5.142 4.120 0.000 0.000 0.318 978 V C 0.232 176.280 176.094 -0.077 0.000 1.085 978 V CA -0.603 61.691 62.300 -0.010 0.000 0.998 978 V CB 1.885 33.753 31.823 0.076 0.000 1.063 978 V HN 1.003 nan 8.190 nan 0.000 0.447 979 A N 0.726 123.512 122.820 -0.057 0.000 2.587 979 A HA 0.726 5.046 4.320 0.000 0.000 0.293 979 A C -1.775 175.784 177.584 -0.042 0.000 1.087 979 A CA -0.435 51.553 52.037 -0.083 0.000 0.692 979 A CB 1.902 20.811 19.000 -0.151 0.000 1.291 979 A HN 0.738 nan 8.150 nan 0.000 0.407 980 D N 1.516 121.887 120.400 -0.049 0.000 2.441 980 D HA 0.267 4.907 4.640 0.000 0.000 0.231 980 D C 0.945 177.183 176.300 -0.102 0.000 1.073 980 D CA -0.400 53.548 54.000 -0.086 0.000 0.850 980 D CB 1.131 41.874 40.800 -0.095 0.000 1.062 980 D HN 0.431 nan 8.370 nan 0.000 0.524 981 L N 3.418 124.559 121.223 -0.137 0.000 2.129 981 L HA -0.228 4.112 4.340 0.000 0.000 0.212 981 L C 1.901 178.588 176.870 -0.305 0.000 1.087 981 L CA 1.613 56.353 54.840 -0.167 0.000 0.757 981 L CB -0.052 41.896 42.059 -0.184 0.000 0.896 981 L HN 0.517 nan 8.230 nan 0.000 0.434 982 A N -0.565 121.996 122.820 -0.431 0.000 2.019 982 A HA -0.189 4.131 4.320 0.000 0.000 0.219 982 A C 2.116 179.625 177.584 -0.124 0.000 1.164 982 A CA 1.424 53.183 52.037 -0.463 0.000 0.644 982 A CB -0.213 18.532 19.000 -0.425 0.000 0.805 982 A HN 0.407 nan 8.150 nan 0.000 0.449 983 K N -1.219 119.125 120.400 -0.093 0.000 2.361 983 K HA 0.237 4.557 4.320 0.000 0.000 0.194 983 K C 1.685 178.278 176.600 -0.012 0.000 1.032 983 K CA 0.226 56.496 56.287 -0.027 0.000 1.048 983 K CB -0.084 32.406 32.500 -0.016 0.000 0.842 983 K HN 0.505 nan 8.250 nan 0.000 0.526 984 M N 1.527 121.115 119.600 -0.020 0.000 2.065 984 M HA -0.132 4.348 4.480 0.000 0.000 0.259 984 M C -0.796 175.488 176.300 -0.027 0.000 1.069 984 M CA 2.112 57.413 55.300 0.001 0.000 1.110 984 M CB -0.835 31.778 32.600 0.021 0.000 1.328 984 M HN -0.083 nan 8.290 nan 0.000 0.405 985 P HA 0.123 nan 4.420 nan 0.000 0.275 985 P C -0.741 176.309 177.300 -0.417 0.000 1.310 985 P CA 0.727 63.711 63.100 -0.193 0.000 0.904 985 P CB 0.431 31.986 31.700 -0.241 0.000 1.381 986 H N 0.371 119.497 119.070 0.094 0.000 2.894 986 H HA 0.466 5.022 4.556 0.000 0.000 0.367 986 H C -0.191 175.149 175.328 0.019 0.000 1.144 986 H CA -0.709 55.374 56.048 0.060 0.000 1.180 986 H CB 2.475 32.248 29.762 0.019 0.000 1.758 986 H HN -0.031 nan 8.280 nan 0.000 0.541 987 L N 0.498 121.794 121.223 0.123 0.000 2.350 987 L HA 0.689 5.029 4.340 0.000 0.000 0.260 987 L C -1.451 175.429 176.870 0.017 0.000 1.015 987 L CA -1.023 53.849 54.840 0.054 0.000 0.821 987 L CB 3.024 45.123 42.059 0.066 0.000 1.370 987 L HN 0.438 nan 8.230 nan 0.000 0.416 988 L N 2.947 124.167 121.223 -0.005 0.000 2.349 988 L HA 0.657 4.997 4.340 0.000 0.000 0.278 988 L C -1.268 175.625 176.870 0.038 0.000 0.996 988 L CA -0.680 54.149 54.840 -0.018 0.000 0.825 988 L CB 1.879 43.917 42.059 -0.035 0.000 1.243 988 L HN 0.573 nan 8.230 nan 0.000 0.412 989 V N 4.468 124.433 119.914 0.085 0.000 2.435 989 V HA 0.866 4.986 4.120 0.000 0.000 0.290 989 V C 0.078 176.289 176.094 0.196 0.000 1.030 989 V CA -0.309 62.088 62.300 0.162 0.000 0.881 989 V CB 1.310 33.261 31.823 0.213 0.000 0.983 989 V HN 0.888 nan 8.190 nan 0.000 0.445 990 A N 3.264 126.220 122.820 0.226 0.000 2.594 990 A HA 1.047 5.367 4.320 0.000 0.000 0.295 990 A C -0.222 177.516 177.584 0.257 0.000 1.071 990 A CA -0.005 52.159 52.037 0.212 0.000 0.685 990 A CB 2.151 21.245 19.000 0.157 0.000 1.285 990 A HN 1.623 nan 8.150 nan 0.000 0.405 991 G N -0.729 108.190 108.800 0.197 0.000 2.320 991 G HA2 0.561 4.521 3.960 0.000 0.000 0.296 991 G HA3 0.561 4.521 3.960 0.000 0.000 0.296 991 G C -0.502 174.463 174.900 0.110 0.000 1.306 991 G CA 0.235 45.448 45.100 0.188 0.000 0.836 991 G HN 0.960 nan 8.290 nan 0.000 0.517 992 T N -0.105 114.502 114.554 0.088 0.000 2.771 992 T HA 0.422 4.772 4.350 0.000 0.000 0.290 992 T C 2.010 176.728 174.700 0.030 0.000 1.005 992 T CA 0.562 62.693 62.100 0.052 0.000 0.944 992 T CB 0.630 69.526 68.868 0.046 0.000 1.147 992 T HN 0.545 nan 8.240 nan 0.000 0.534 993 T N 1.056 115.621 114.554 0.019 0.000 2.665 993 T HA -0.045 4.305 4.350 0.000 0.000 0.268 993 T C 1.640 176.336 174.700 -0.007 0.000 1.035 993 T CA 1.608 63.712 62.100 0.006 0.000 1.151 993 T CB -0.499 68.373 68.868 0.007 0.000 0.862 993 T HN 0.757 nan 8.240 nan 0.000 0.438 994 G N 0.478 109.276 108.800 -0.002 0.000 3.899 994 G HA2 0.290 4.251 3.960 0.000 0.000 0.293 994 G HA3 0.290 4.251 3.960 0.000 0.000 0.293 994 G C 1.199 176.091 174.900 -0.014 0.000 1.054 994 G CA 0.373 45.466 45.100 -0.011 0.000 0.846 994 G HN 0.507 nan 8.290 nan 0.000 0.525 995 S N -0.915 114.775 115.700 -0.017 0.000 2.489 995 S HA 0.339 4.809 4.470 0.000 0.000 0.228 995 S C 1.758 176.299 174.600 -0.100 0.000 0.995 995 S CA 0.916 59.122 58.200 0.010 0.000 0.934 995 S CB 0.151 63.406 63.200 0.093 0.000 0.771 995 S HN 1.386 nan 8.310 nan 0.000 0.522 996 G N 0.164 108.800 108.800 -0.273 0.000 2.148 996 G HA2 -0.010 3.950 3.960 0.000 0.000 0.157 996 G HA3 -0.010 3.950 3.960 0.000 0.000 0.157 996 G C 0.760 175.000 174.900 -1.099 0.000 1.012 996 G CA 0.051 44.848 45.100 -0.504 0.000 0.677 996 G HN 0.870 nan 8.290 nan 0.000 0.506 997 A N 0.938 123.219 122.820 -0.899 0.000 1.873 997 A HA 0.230 4.550 4.320 0.000 0.000 0.215 997 A C 2.767 180.172 177.584 -0.297 0.000 1.186 997 A CA 2.717 54.339 52.037 -0.691 0.000 0.616 997 A CB -0.827 18.085 19.000 -0.147 0.000 0.823 997 A HN 1.649 nan 8.150 nan 0.000 0.442 998 S N -0.130 115.456 115.700 -0.190 0.000 2.368 998 S HA -0.143 4.327 4.470 0.000 0.000 0.225 998 S C 1.751 176.296 174.600 -0.092 0.000 1.030 998 S CA 1.558 59.705 58.200 -0.090 0.000 0.999 998 S CB -1.060 62.107 63.200 -0.056 0.000 0.844 998 S HN 0.255 nan 8.310 nan 0.000 0.459 999 V N 2.543 122.374 119.914 -0.139 0.000 2.407 999 V HA -0.035 4.085 4.120 0.000 0.000 0.248 999 V C 2.945 178.986 176.094 -0.087 0.000 1.055 999 V CA 1.719 63.947 62.300 -0.120 0.000 1.049 999 V CB -1.793 29.960 31.823 -0.117 0.000 0.662 999 V HN 0.653 nan 8.190 nan 0.000 0.455 1000 G N 0.068 108.795 108.800 -0.121 0.000 2.446 1000 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 1000 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 1000 G C 1.687 176.632 174.900 0.074 0.000 1.168 1000 G CA 1.347 46.481 45.100 0.057 0.000 0.771 1000 G HN 0.375 nan 8.290 nan 0.000 0.551 1001 V N 1.604 121.542 119.914 0.040 0.000 2.287 1001 V HA -0.219 3.901 4.120 0.000 0.000 0.248 1001 V C 2.671 178.766 176.094 0.002 0.000 1.053 1001 V CA 1.936 64.254 62.300 0.030 0.000 1.027 1001 V CB -0.496 31.337 31.823 0.018 0.000 0.646 1001 V HN 0.347 nan 8.190 nan 0.000 0.447 1002 N N 0.416 119.125 118.700 0.014 0.000 2.223 1002 N HA -0.132 4.608 4.740 0.000 0.000 0.185 1002 N C 1.861 177.387 175.510 0.027 0.000 1.016 1002 N CA 1.602 54.684 53.050 0.053 0.000 0.863 1002 N CB -0.367 38.147 38.487 0.045 0.000 0.983 1002 N HN 0.524 nan 8.380 nan 0.000 0.429 1003 A N 1.013 123.836 122.820 0.005 0.000 1.930 1003 A HA -0.054 4.266 4.320 0.000 0.000 0.217 1003 A C 2.325 179.920 177.584 0.017 0.000 1.175 1003 A CA 1.030 53.068 52.037 0.000 0.000 0.627 1003 A CB -0.371 18.632 19.000 0.005 0.000 0.815 1003 A HN 0.174 nan 8.150 nan 0.000 0.443 1004 M N -0.759 118.856 119.600 0.026 0.000 2.099 1004 M HA -0.068 4.412 4.480 0.000 0.000 0.262 1004 M C 2.090 178.399 176.300 0.015 0.000 1.067 1004 M CA 1.529 56.850 55.300 0.034 0.000 1.124 1004 M CB -0.462 32.161 32.600 0.038 0.000 1.353 1004 M HN 0.390 nan 8.290 nan 0.000 0.410 1005 I N -0.123 120.402 120.570 -0.075 0.000 2.179 1005 I HA -0.288 3.882 4.170 0.000 0.000 0.242 1005 I C 2.193 178.274 176.117 -0.061 0.000 1.088 1005 I CA 1.039 62.210 61.300 -0.216 0.000 1.357 1005 I CB -0.332 37.330 38.000 -0.565 0.000 1.051 1005 I HN 0.207 nan 8.210 nan 0.000 0.409 1006 L N 0.197 121.450 121.223 0.049 0.000 2.083 1006 L HA -0.187 4.153 4.340 0.000 0.000 0.209 1006 L C 2.666 179.703 176.870 0.278 0.000 1.083 1006 L CA 1.580 56.532 54.840 0.187 0.000 0.752 1006 L CB -0.685 41.497 42.059 0.204 0.000 0.899 1006 L HN 0.108 nan 8.230 nan 0.000 0.433 1007 S N -0.884 114.912 115.700 0.159 0.000 2.353 1007 S HA -0.247 4.223 4.470 0.000 0.000 0.222 1007 S C 1.952 176.776 174.600 0.374 0.000 1.035 1007 S CA 1.797 60.106 58.200 0.181 0.000 1.025 1007 S CB -0.281 63.012 63.200 0.155 0.000 0.902 1007 S HN 0.386 nan 8.310 nan 0.000 0.440 1008 M N 0.659 120.412 119.600 0.256 0.000 2.159 1008 M HA -0.018 4.462 4.480 0.000 0.000 0.263 1008 M C 1.735 178.151 176.300 0.193 0.000 1.063 1008 M CA 1.161 56.598 55.300 0.228 0.000 1.110 1008 M CB -0.536 32.196 32.600 0.220 0.000 1.374 1008 M HN 0.239 nan 8.290 nan 0.000 0.411 1009 L N -1.500 119.802 121.223 0.132 0.000 2.456 1009 L HA -0.162 4.178 4.340 0.000 0.000 0.224 1009 L C 1.262 178.297 176.870 0.274 0.000 1.148 1009 L CA 0.846 55.725 54.840 0.065 0.000 0.825 1009 L CB -0.451 41.614 42.059 0.010 0.000 0.937 1009 L HN 0.292 nan 8.230 nan 0.000 0.450 1010 Y N -0.984 119.511 120.300 0.324 0.000 2.485 1010 Y HA 0.041 4.591 4.550 0.000 0.000 0.260 1010 Y C 2.081 178.206 175.900 0.375 0.000 1.173 1010 Y CA 0.266 58.564 58.100 0.331 0.000 1.252 1010 Y CB 0.416 39.006 38.460 0.216 0.000 1.123 1010 Y HN 0.027 nan 8.280 nan 0.000 0.524 1011 K N -1.063 119.596 120.400 0.432 0.000 2.601 1011 K HA 0.407 4.727 4.320 0.000 0.000 0.214 1011 K C -0.262 176.469 176.600 0.219 0.000 1.628 1011 K CA 0.248 56.712 56.287 0.296 0.000 1.036 1011 K CB 0.571 33.189 32.500 0.197 0.000 1.352 1011 K HN -0.036 nan 8.250 nan 0.000 0.607 1012 A N 1.842 124.801 122.820 0.232 0.000 2.330 1012 A HA 0.563 4.883 4.320 0.000 0.000 0.327 1012 A C -0.732 177.009 177.584 0.263 0.000 1.155 1012 A CA -0.671 51.476 52.037 0.184 0.000 0.803 1012 A CB 1.259 20.318 19.000 0.097 0.000 1.208 1012 A HN 0.145 nan 8.150 nan 0.000 0.477 1013 Q N 1.345 121.260 119.800 0.192 0.000 2.212 1013 Q HA 0.277 4.617 4.340 0.000 0.000 0.238 1013 Q C -1.802 174.149 176.000 -0.082 0.000 0.955 1013 Q CA -2.010 53.874 55.803 0.136 0.000 0.906 1013 Q CB 0.676 29.492 28.738 0.131 0.000 1.215 1013 Q HN 0.390 nan 8.270 nan 0.000 0.478 1014 P HA -0.226 nan 4.420 nan 0.000 0.217 1014 P C 0.956 178.160 177.300 -0.160 0.000 1.148 1014 P CA 1.716 64.552 63.100 -0.439 0.000 0.828 1014 P CB 0.218 31.634 31.700 -0.474 0.000 0.783 1015 E N -0.765 119.383 120.200 -0.086 0.000 2.204 1015 E HA -0.186 4.164 4.350 0.000 0.000 0.194 1015 E C 1.043 177.637 176.600 -0.011 0.000 0.989 1015 E CA 1.134 57.512 56.400 -0.036 0.000 0.824 1015 E CB -0.656 29.036 29.700 -0.013 0.000 0.756 1015 E HN 0.241 nan 8.360 nan 0.000 0.477 1016 D N 0.680 121.087 120.400 0.012 0.000 2.149 1016 D HA 0.040 4.680 4.640 0.000 0.000 0.206 1016 D C 0.382 176.729 176.300 0.079 0.000 0.967 1016 D CA 0.745 54.785 54.000 0.067 0.000 0.848 1016 D CB 0.653 41.508 40.800 0.092 0.000 0.998 1016 D HN 0.041 nan 8.370 nan 0.000 0.474 1017 V N 1.259 121.163 119.914 -0.017 0.000 2.760 1017 V HA 0.432 4.552 4.120 0.000 0.000 0.309 1017 V C -0.315 175.597 176.094 -0.305 0.000 1.077 1017 V CA -0.933 61.275 62.300 -0.153 0.000 0.910 1017 V CB 3.058 34.712 31.823 -0.282 0.000 1.008 1017 V HN -0.072 nan 8.190 nan 0.000 0.424 1018 R N 2.257 122.540 120.500 -0.362 0.000 2.807 1018 R HA 0.735 5.075 4.340 0.000 0.000 0.276 1018 R C -1.614 174.431 176.300 -0.425 0.000 0.979 1018 R CA -0.506 55.413 56.100 -0.301 0.000 0.928 1018 R CB 2.407 32.654 30.300 -0.088 0.000 1.191 1018 R HN 0.601 nan 8.270 nan 0.000 0.471 1019 F N 0.967 120.934 119.950 0.029 0.000 2.579 1019 F HA 0.610 5.137 4.527 0.000 0.000 0.324 1019 F C 0.396 176.184 175.800 -0.021 0.000 1.058 1019 F CA -0.891 57.106 58.000 -0.005 0.000 0.944 1019 F CB 1.780 40.743 39.000 -0.062 0.000 1.245 1019 F HN 0.135 nan 8.300 nan 0.000 0.477 1020 I N 3.012 123.697 120.570 0.193 0.000 2.476 1020 I HA 0.328 4.498 4.170 0.000 0.000 0.281 1020 I C -1.111 175.040 176.117 0.058 0.000 1.040 1020 I CA -0.321 61.018 61.300 0.065 0.000 1.094 1020 I CB 1.370 39.388 38.000 0.030 0.000 1.219 1020 I HN 0.470 nan 8.210 nan 0.000 0.450 1021 M N 6.462 126.073 119.600 0.018 0.000 2.209 1021 M HA 0.504 4.984 4.480 0.000 0.000 0.355 1021 M C -0.683 175.616 176.300 -0.002 0.000 1.171 1021 M CA -0.587 54.709 55.300 -0.007 0.000 1.069 1021 M CB 1.818 34.392 32.600 -0.044 0.000 1.622 1021 M HN 0.283 nan 8.290 nan 0.000 0.459 1022 I N 2.731 123.308 120.570 0.012 0.000 2.337 1022 I HA 0.217 4.387 4.170 0.000 0.000 0.285 1022 I C -0.422 175.712 176.117 0.029 0.000 1.041 1022 I CA -0.055 61.257 61.300 0.020 0.000 1.199 1022 I CB 0.743 38.766 38.000 0.039 0.000 1.370 1022 I HN 0.634 nan 8.210 nan 0.000 0.470 1023 D N 9.364 129.777 120.400 0.021 0.000 2.634 1023 D HA 0.252 4.892 4.640 0.000 0.000 0.318 1023 D C -1.232 175.080 176.300 0.019 0.000 1.226 1023 D CA -1.901 52.114 54.000 0.025 0.000 0.899 1023 D CB 1.447 42.261 40.800 0.023 0.000 1.025 1023 D HN 0.191 nan 8.370 nan 0.000 0.501 1024 P HA -0.255 nan 4.420 nan 0.000 0.218 1024 P C 1.218 178.524 177.300 0.010 0.000 1.165 1024 P CA 1.475 64.585 63.100 0.017 0.000 0.922 1024 P CB 0.890 32.604 31.700 0.023 0.000 0.794 1025 K N -2.230 118.177 120.400 0.011 0.000 2.167 1025 K HA 0.108 4.428 4.320 0.000 0.000 0.214 1025 K C 1.962 178.566 176.600 0.006 0.000 1.024 1025 K CA 0.445 56.735 56.287 0.006 0.000 0.951 1025 K CB -0.066 32.435 32.500 0.003 0.000 0.907 1025 K HN -0.076 nan 8.250 nan 0.000 0.459 1026 M N 0.658 120.263 119.600 0.008 0.000 2.121 1026 M HA 0.264 4.744 4.480 0.000 0.000 0.190 1026 M C 0.007 176.312 176.300 0.009 0.000 1.031 1026 M CA 0.156 55.461 55.300 0.008 0.000 1.551 1026 M CB -0.364 32.241 32.600 0.008 0.000 1.030 1026 M HN 0.051 nan 8.290 nan 0.000 0.767 1027 L N 0.354 121.582 121.223 0.008 0.000 2.518 1027 L HA 0.296 4.637 4.340 0.000 0.000 0.262 1027 L C -0.438 176.435 176.870 0.004 0.000 0.982 1027 L CA -0.126 54.718 54.840 0.006 0.000 0.873 1027 L CB 1.592 43.653 42.059 0.003 0.000 1.198 1027 L HN 0.565 nan 8.230 nan 0.000 0.427 1028 E N 1.365 121.571 120.200 0.011 0.000 2.717 1028 E HA 0.201 4.551 4.350 0.000 0.000 0.204 1028 E C 1.487 178.108 176.600 0.034 0.000 0.911 1028 E CA 0.067 56.474 56.400 0.013 0.000 1.370 1028 E CB 0.456 30.172 29.700 0.026 0.000 1.315 1028 E HN 0.466 nan 8.360 nan 0.000 0.643 1029 L N 1.471 122.740 121.223 0.078 0.000 2.341 1029 L HA 0.052 4.392 4.340 0.000 0.000 0.214 1029 L C 2.018 178.970 176.870 0.136 0.000 1.115 1029 L CA 1.016 55.971 54.840 0.192 0.000 0.820 1029 L CB -0.320 41.805 42.059 0.110 0.000 0.944 1029 L HN 0.163 nan 8.230 nan 0.000 0.452 1030 S N -0.586 115.134 115.700 0.033 0.000 2.493 1030 S HA -0.167 4.303 4.470 0.000 0.000 0.243 1030 S C 1.808 176.366 174.600 -0.070 0.000 0.991 1030 S CA 1.089 59.289 58.200 0.000 0.000 0.957 1030 S CB -0.642 62.555 63.200 -0.005 0.000 0.756 1030 S HN 0.273 nan 8.310 nan 0.000 0.521 1031 V N 0.147 119.948 119.914 -0.188 0.000 3.141 1031 V HA 0.065 4.185 4.120 0.000 0.000 0.265 1031 V C 1.171 176.945 176.094 -0.532 0.000 1.126 1031 V CA 1.023 63.069 62.300 -0.424 0.000 1.141 1031 V CB -0.743 30.701 31.823 -0.632 0.000 0.743 1031 V HN 0.709 nan 8.190 nan 0.000 0.492 1032 Y N -0.329 119.897 120.300 -0.123 0.000 2.462 1032 Y HA 0.337 4.887 4.550 0.000 0.000 0.261 1032 Y C 1.128 177.003 175.900 -0.042 0.000 1.146 1032 Y CA -0.302 57.733 58.100 -0.107 0.000 1.283 1032 Y CB 0.139 38.502 38.460 -0.161 0.000 1.090 1032 Y HN 0.212 nan 8.280 nan 0.000 0.526 1033 E N 0.851 121.093 120.200 0.069 0.000 2.652 1033 E HA 0.167 4.517 4.350 0.000 0.000 0.255 1033 E C 1.187 177.846 176.600 0.098 0.000 0.952 1033 E CA 1.164 57.615 56.400 0.085 0.000 0.947 1033 E CB -0.008 29.723 29.700 0.051 0.000 0.912 1033 E HN 0.538 nan 8.360 nan 0.000 0.489 1034 G N 3.649 112.536 108.800 0.144 0.000 2.194 1034 G HA2 -0.295 3.665 3.960 0.000 0.000 0.236 1034 G HA3 -0.295 3.665 3.960 0.000 0.000 0.236 1034 G C 0.273 175.253 174.900 0.133 0.000 0.987 1034 G CA -0.100 45.074 45.100 0.124 0.000 0.635 1034 G HN 0.552 nan 8.290 nan 0.000 0.520 1035 I N 3.181 123.851 120.570 0.167 0.000 2.683 1035 I HA 0.235 4.406 4.170 0.000 0.000 0.286 1035 I C 0.020 176.245 176.117 0.181 0.000 1.175 1035 I CA -1.533 59.891 61.300 0.206 0.000 1.429 1035 I CB 0.994 39.109 38.000 0.192 0.000 1.371 1035 I HN -0.031 nan 8.210 nan 0.000 0.569 1036 P HA -0.176 nan 4.420 nan 0.000 0.228 1036 P C 0.942 178.175 177.300 -0.112 0.000 1.151 1036 P CA 1.580 64.673 63.100 -0.011 0.000 0.770 1036 P CB -0.089 31.597 31.700 -0.023 0.000 0.786 1037 H N -0.558 118.486 119.070 -0.043 0.000 2.482 1037 H HA 0.136 4.692 4.556 0.000 0.000 0.286 1037 H C 1.147 176.546 175.328 0.117 0.000 1.017 1037 H CA -0.102 55.942 56.048 -0.007 0.000 1.322 1037 H CB -0.095 29.710 29.762 0.072 0.000 1.426 1037 H HN 0.168 nan 8.280 nan 0.000 0.546 1038 L N 2.010 123.409 121.223 0.293 0.000 2.540 1038 L HA -0.113 4.228 4.340 0.000 0.000 0.276 1038 L C 1.584 178.590 176.870 0.227 0.000 1.212 1038 L CA 0.063 55.062 54.840 0.265 0.000 0.893 1038 L CB 0.912 43.139 42.059 0.280 0.000 1.138 1038 L HN 0.210 nan 8.230 nan 0.000 0.491 1039 L N 1.693 122.987 121.223 0.118 0.000 2.270 1039 L HA 0.049 4.389 4.340 0.000 0.000 0.210 1039 L C 0.980 177.848 176.870 -0.003 0.000 1.104 1039 L CA 0.834 55.694 54.840 0.034 0.000 0.804 1039 L CB 0.272 42.261 42.059 -0.117 0.000 0.937 1039 L HN 0.740 nan 8.230 nan 0.000 0.450 1040 T N -1.317 113.134 114.554 -0.172 0.000 2.821 1040 T HA 0.228 4.578 4.350 0.000 0.000 0.306 1040 T C -1.072 173.271 174.700 -0.595 0.000 1.313 1040 T CA -0.729 61.017 62.100 -0.590 0.000 1.012 1040 T CB 1.423 70.029 68.868 -0.437 0.000 1.298 1040 T HN 0.073 nan 8.240 nan 0.000 0.502 1041 E N 1.138 120.838 120.200 -0.834 0.000 2.436 1041 E HA 0.229 4.579 4.350 0.000 0.000 0.262 1041 E C -0.025 176.465 176.600 -0.184 0.000 1.063 1041 E CA -0.441 55.725 56.400 -0.390 0.000 0.944 1041 E CB 0.443 29.957 29.700 -0.310 0.000 0.950 1041 E HN 0.391 nan 8.360 nan 0.000 0.444 1042 V N 2.900 122.770 119.914 -0.072 0.000 2.583 1042 V HA -0.098 4.022 4.120 0.000 0.000 0.302 1042 V C 0.168 176.230 176.094 -0.054 0.000 1.033 1042 V CA 0.261 62.538 62.300 -0.038 0.000 1.194 1042 V CB 0.147 31.971 31.823 0.001 0.000 0.879 1042 V HN 0.370 nan 8.190 nan 0.000 0.482 1043 V N 5.847 125.731 119.914 -0.049 0.000 2.415 1043 V HA 0.101 4.221 4.120 0.000 0.000 0.267 1043 V C 1.123 177.205 176.094 -0.020 0.000 1.042 1043 V CA 0.294 62.567 62.300 -0.045 0.000 1.000 1043 V CB 0.631 32.430 31.823 -0.041 0.000 1.015 1043 V HN 1.067 nan 8.190 nan 0.000 0.478 1044 T N 2.421 116.963 114.554 -0.020 0.000 3.034 1044 T HA 0.034 4.384 4.350 0.000 0.000 0.248 1044 T C 0.604 175.301 174.700 -0.005 0.000 1.040 1044 T CA 0.217 62.312 62.100 -0.009 0.000 1.107 1044 T CB 0.034 68.897 68.868 -0.009 0.000 0.932 1044 T HN 0.777 nan 8.240 nan 0.000 0.474 1045 D N 0.377 120.771 120.400 -0.009 0.000 2.304 1045 D HA 0.234 4.874 4.640 0.000 0.000 0.250 1045 D C 1.103 177.404 176.300 0.001 0.000 1.107 1045 D CA -0.196 53.802 54.000 -0.004 0.000 0.885 1045 D CB 0.965 41.760 40.800 -0.007 0.000 1.192 1045 D HN -0.176 nan 8.370 nan 0.000 0.436 1046 M N 2.961 122.565 119.600 0.005 0.000 2.279 1046 M HA -0.063 4.417 4.480 0.000 0.000 0.264 1046 M C 1.424 177.732 176.300 0.014 0.000 1.062 1046 M CA 1.728 57.035 55.300 0.012 0.000 1.099 1046 M CB 0.013 32.619 32.600 0.010 0.000 1.394 1046 M HN 0.380 nan 8.290 nan 0.000 0.426 1047 K N -0.684 119.722 120.400 0.009 0.000 2.167 1047 K HA -0.068 4.252 4.320 0.000 0.000 0.203 1047 K C 1.344 177.951 176.600 0.011 0.000 1.052 1047 K CA 1.182 57.475 56.287 0.011 0.000 0.956 1047 K CB -0.102 32.402 32.500 0.007 0.000 0.735 1047 K HN 0.253 nan 8.250 nan 0.000 0.451 1048 D N 0.932 121.334 120.400 0.003 0.000 2.224 1048 D HA -0.064 4.576 4.640 0.000 0.000 0.205 1048 D C 1.792 178.094 176.300 0.003 0.000 0.965 1048 D CA 0.953 54.951 54.000 -0.004 0.000 0.852 1048 D CB -0.109 40.678 40.800 -0.022 0.000 0.947 1048 D HN 0.185 nan 8.370 nan 0.000 0.494 1049 A N 1.099 123.925 122.820 0.011 0.000 1.877 1049 A HA -0.067 4.253 4.320 0.000 0.000 0.216 1049 A C 2.310 179.915 177.584 0.036 0.000 1.186 1049 A CA 2.151 54.201 52.037 0.023 0.000 0.620 1049 A CB -0.826 18.193 19.000 0.031 0.000 0.822 1049 A HN 0.227 nan 8.150 nan 0.000 0.443 1050 A N -0.126 122.715 122.820 0.035 0.000 1.972 1050 A HA -0.214 4.106 4.320 0.000 0.000 0.219 1050 A C 1.896 179.508 177.584 0.047 0.000 1.169 1050 A CA 1.718 53.779 52.037 0.040 0.000 0.635 1050 A CB -0.825 18.195 19.000 0.032 0.000 0.810 1050 A HN 0.732 nan 8.150 nan 0.000 0.446 1051 N N -0.429 118.298 118.700 0.045 0.000 2.331 1051 N HA 0.012 4.752 4.740 0.000 0.000 0.180 1051 N C 1.819 177.389 175.510 0.101 0.000 1.019 1051 N CA 0.699 53.786 53.050 0.062 0.000 0.881 1051 N CB -0.131 38.381 38.487 0.042 0.000 0.972 1051 N HN 0.502 nan 8.380 nan 0.000 0.435 1052 A N 0.781 123.647 122.820 0.077 0.000 2.016 1052 A HA 0.021 4.342 4.320 0.000 0.000 0.217 1052 A C 2.027 179.717 177.584 0.177 0.000 1.162 1052 A CA 0.627 52.725 52.037 0.101 0.000 0.662 1052 A CB -0.292 18.720 19.000 0.020 0.000 0.812 1052 A HN 0.157 nan 8.150 nan 0.000 0.450 1053 L N -1.351 119.942 121.223 0.116 0.000 2.109 1053 L HA -0.052 4.288 4.340 0.000 0.000 0.207 1053 L C 2.761 179.688 176.870 0.095 0.000 1.086 1053 L CA 0.986 55.884 54.840 0.097 0.000 0.760 1053 L CB -0.423 41.668 42.059 0.054 0.000 0.910 1053 L HN 0.361 nan 8.230 nan 0.000 0.437 1054 R N -0.460 120.097 120.500 0.096 0.000 2.115 1054 R HA -0.214 4.126 4.340 0.000 0.000 0.230 1054 R C 2.159 178.505 176.300 0.078 0.000 1.111 1054 R CA 1.441 57.580 56.100 0.065 0.000 0.976 1054 R CB -0.278 30.057 30.300 0.059 0.000 0.870 1054 R HN 0.406 nan 8.270 nan 0.000 0.445 1055 W N 0.486 121.777 121.300 -0.016 0.000 2.358 1055 W HA -0.223 4.438 4.660 0.000 0.000 0.303 1055 W C 2.069 178.573 176.519 -0.025 0.000 1.208 1055 W CA 1.156 58.490 57.345 -0.018 0.000 1.274 1055 W CB -0.452 28.998 29.460 -0.015 0.000 1.138 1055 W HN 0.035 nan 8.180 nan 0.000 0.515 1056 C N -0.437 118.961 119.300 0.163 0.000 2.429 1056 C HA -0.192 4.268 4.460 0.000 0.000 0.277 1056 C C 2.744 177.637 174.990 -0.161 0.000 1.262 1056 C CA 1.247 60.267 59.018 0.003 0.000 1.733 1056 C CB -1.379 26.442 27.740 0.135 0.000 2.010 1056 C HN 0.239 nan 8.230 nan 0.000 0.483 1057 V N 1.565 121.419 119.914 -0.100 0.000 2.407 1057 V HA -0.246 3.874 4.120 0.000 0.000 0.248 1057 V C 1.923 177.918 176.094 -0.165 0.000 1.055 1057 V CA 2.282 64.520 62.300 -0.102 0.000 1.049 1057 V CB -0.867 30.922 31.823 -0.057 0.000 0.662 1057 V HN 0.625 nan 8.190 nan 0.000 0.455 1058 N N -0.188 118.365 118.700 -0.245 0.000 2.250 1058 N HA -0.166 4.575 4.740 0.000 0.000 0.181 1058 N C 1.880 177.153 175.510 -0.396 0.000 1.017 1058 N CA 0.861 53.739 53.050 -0.288 0.000 0.866 1058 N CB -0.071 38.238 38.487 -0.297 0.000 0.985 1058 N HN 0.440 nan 8.380 nan 0.000 0.429 1059 E N 1.425 121.253 120.200 -0.620 0.000 2.204 1059 E HA -0.124 4.226 4.350 0.000 0.000 0.194 1059 E C 1.835 178.186 176.600 -0.414 0.000 0.989 1059 E CA 0.826 56.832 56.400 -0.656 0.000 0.824 1059 E CB -0.061 29.018 29.700 -1.036 0.000 0.756 1059 E HN 0.333 nan 8.360 nan 0.000 0.477 1060 M N -0.154 119.250 119.600 -0.326 0.000 2.200 1060 M HA -0.101 4.379 4.480 0.000 0.000 0.265 1060 M C 1.474 177.659 176.300 -0.192 0.000 1.066 1060 M CA 1.618 56.749 55.300 -0.281 0.000 1.127 1060 M CB 0.045 32.558 32.600 -0.145 0.000 1.379 1060 M HN 0.054 nan 8.290 nan 0.000 0.420 1061 E N -0.119 120.016 120.200 -0.108 0.000 2.152 1061 E HA -0.188 4.162 4.350 0.000 0.000 0.192 1061 E C 2.100 178.638 176.600 -0.103 0.000 0.983 1061 E CA 0.825 57.207 56.400 -0.029 0.000 0.818 1061 E CB -0.224 29.436 29.700 -0.066 0.000 0.758 1061 E HN 0.542 nan 8.360 nan 0.000 0.467 1062 R N 1.461 121.846 120.500 -0.191 0.000 2.066 1062 R HA -0.083 4.257 4.340 0.000 0.000 0.232 1062 R C 2.254 178.431 176.300 -0.206 0.000 1.131 1062 R CA 1.170 57.149 56.100 -0.202 0.000 0.955 1062 R CB 0.040 30.209 30.300 -0.219 0.000 0.851 1062 R HN 0.023 nan 8.270 nan 0.000 0.432 1063 R N -0.889 119.438 120.500 -0.289 0.000 2.096 1063 R HA -0.159 4.181 4.340 0.000 0.000 0.235 1063 R C 2.126 178.247 176.300 -0.298 0.000 1.127 1063 R CA 1.693 57.564 56.100 -0.382 0.000 0.968 1063 R CB -0.320 29.678 30.300 -0.503 0.000 0.861 1063 R HN 0.411 nan 8.270 nan 0.000 0.440 1064 Y N 0.846 121.052 120.300 -0.158 0.000 2.314 1064 Y HA -0.141 4.409 4.550 0.000 0.000 0.293 1064 Y C 2.287 178.141 175.900 -0.076 0.000 1.129 1064 Y CA 0.868 58.904 58.100 -0.106 0.000 1.201 1064 Y CB 0.184 38.585 38.460 -0.098 0.000 0.999 1064 Y HN -0.001 nan 8.280 nan 0.000 0.541 1065 K N 0.201 120.618 120.400 0.028 0.000 2.025 1065 K HA -0.166 4.154 4.320 0.000 0.000 0.207 1065 K C 1.866 178.568 176.600 0.169 0.000 1.049 1065 K CA 1.310 57.569 56.287 -0.047 0.000 0.933 1065 K CB -0.337 31.912 32.500 -0.418 0.000 0.714 1065 K HN 0.326 nan 8.250 nan 0.000 0.438 1066 L N 0.619 121.930 121.223 0.148 0.000 2.046 1066 L HA -0.178 4.162 4.340 0.000 0.000 0.208 1066 L C 2.588 179.601 176.870 0.238 0.000 1.077 1066 L CA 1.227 56.222 54.840 0.258 0.000 0.747 1066 L CB -0.439 41.690 42.059 0.117 0.000 0.896 1066 L HN 0.247 nan 8.230 nan 0.000 0.432 1067 M N -0.876 118.813 119.600 0.149 0.000 2.159 1067 M HA -0.177 4.303 4.480 0.000 0.000 0.263 1067 M C 2.439 178.841 176.300 0.170 0.000 1.063 1067 M CA 1.508 56.913 55.300 0.176 0.000 1.110 1067 M CB -0.303 32.386 32.600 0.149 0.000 1.374 1067 M HN 0.185 nan 8.290 nan 0.000 0.411 1068 S N 0.641 116.443 115.700 0.170 0.000 2.368 1068 S HA -0.039 4.431 4.470 0.000 0.000 0.224 1068 S C 2.118 176.801 174.600 0.138 0.000 1.029 1068 S CA 1.198 59.482 58.200 0.140 0.000 0.988 1068 S CB -0.370 62.912 63.200 0.137 0.000 0.838 1068 S HN 0.564 nan 8.310 nan 0.000 0.462 1069 A N 1.247 124.179 122.820 0.186 0.000 1.978 1069 A HA -0.007 4.313 4.320 0.000 0.000 0.220 1069 A C 1.827 179.452 177.584 0.068 0.000 1.170 1069 A CA 1.165 53.262 52.037 0.101 0.000 0.636 1069 A CB -0.549 18.488 19.000 0.061 0.000 0.810 1069 A HN 0.500 nan 8.150 nan 0.000 0.448 1070 L N -1.500 119.786 121.223 0.105 0.000 2.640 1070 L HA 0.274 4.614 4.340 0.000 0.000 0.230 1070 L C 1.266 178.175 176.870 0.064 0.000 1.123 1070 L CA 0.262 55.146 54.840 0.073 0.000 0.900 1070 L CB -0.391 41.723 42.059 0.092 0.000 1.146 1070 L HN 0.501 nan 8.230 nan 0.000 0.484 1071 G N 1.775 110.620 108.800 0.075 0.000 2.367 1071 G HA2 -0.207 3.753 3.960 0.000 0.000 0.295 1071 G HA3 -0.207 3.753 3.960 0.000 0.000 0.295 1071 G C -0.495 174.443 174.900 0.064 0.000 1.019 1071 G CA 0.210 45.346 45.100 0.060 0.000 1.224 1071 G HN 0.134 nan 8.290 nan 0.000 0.510 1072 V N 0.471 120.438 119.914 0.089 0.000 2.925 1072 V HA 0.609 4.730 4.120 0.000 0.000 0.311 1072 V C 1.183 177.339 176.094 0.102 0.000 1.104 1072 V CA -0.786 61.570 62.300 0.093 0.000 0.954 1072 V CB 1.896 33.792 31.823 0.121 0.000 1.022 1072 V HN 0.516 nan 8.190 nan 0.000 0.427 1073 R N 1.650 122.204 120.500 0.091 0.000 2.146 1073 R HA 0.250 4.590 4.340 0.000 0.000 0.206 1073 R C -0.041 176.329 176.300 0.117 0.000 1.049 1073 R CA 0.297 56.456 56.100 0.099 0.000 1.029 1073 R CB 0.181 30.525 30.300 0.073 0.000 0.949 1073 R HN 0.618 nan 8.270 nan 0.000 0.471 1074 N N 0.142 118.901 118.700 0.098 0.000 2.483 1074 N HA 0.119 4.859 4.740 0.000 0.000 0.285 1074 N C 0.331 175.878 175.510 0.060 0.000 1.210 1074 N CA -0.502 52.600 53.050 0.087 0.000 0.931 1074 N CB 0.961 39.503 38.487 0.091 0.000 1.220 1074 N HN -0.140 nan 8.380 nan 0.000 0.542 1075 L N 0.388 121.614 121.223 0.006 0.000 2.217 1075 L HA 0.075 4.415 4.340 0.000 0.000 0.211 1075 L C 1.487 178.348 176.870 -0.015 0.000 1.107 1075 L CA 1.204 55.996 54.840 -0.080 0.000 0.783 1075 L CB -0.549 41.365 42.059 -0.243 0.000 0.919 1075 L HN 0.656 nan 8.230 nan 0.000 0.442 1076 A N -0.352 122.481 122.820 0.021 0.000 1.968 1076 A HA -0.033 4.287 4.320 0.000 0.000 0.217 1076 A C 2.225 179.842 177.584 0.056 0.000 1.169 1076 A CA 1.257 53.322 52.037 0.046 0.000 0.638 1076 A CB -0.808 18.251 19.000 0.099 0.000 0.812 1076 A HN 0.480 nan 8.150 nan 0.000 0.446 1077 G N -1.878 106.966 108.800 0.073 0.000 2.430 1077 G HA2 -0.137 3.823 3.960 0.000 0.000 0.216 1077 G HA3 -0.137 3.823 3.960 0.000 0.000 0.216 1077 G C 1.468 176.412 174.900 0.072 0.000 1.146 1077 G CA 1.021 46.159 45.100 0.063 0.000 0.793 1077 G HN 0.566 nan 8.290 nan 0.000 0.537 1078 Y N 1.811 122.097 120.300 -0.025 0.000 2.114 1078 Y HA -0.145 4.405 4.550 0.000 0.000 0.284 1078 Y C 2.515 178.392 175.900 -0.039 0.000 1.143 1078 Y CA 2.262 60.343 58.100 -0.031 0.000 1.135 1078 Y CB -0.515 37.914 38.460 -0.052 0.000 0.980 1078 Y HN 0.268 nan 8.280 nan 0.000 0.499 1079 N N -0.111 118.615 118.700 0.042 0.000 2.149 1079 N HA -0.187 4.553 4.740 0.000 0.000 0.188 1079 N C 1.592 177.038 175.510 -0.107 0.000 1.019 1079 N CA 1.364 54.377 53.050 -0.061 0.000 0.857 1079 N CB -0.131 38.363 38.487 0.012 0.000 0.997 1079 N HN 0.560 nan 8.380 nan 0.000 0.426 1080 E N 0.690 120.851 120.200 -0.065 0.000 2.107 1080 E HA -0.146 4.204 4.350 0.000 0.000 0.191 1080 E C 1.723 178.268 176.600 -0.092 0.000 0.982 1080 E CA 0.772 57.138 56.400 -0.057 0.000 0.809 1080 E CB 0.100 29.786 29.700 -0.024 0.000 0.756 1080 E HN 0.143 nan 8.360 nan 0.000 0.459 1081 K N 0.975 121.298 120.400 -0.128 0.000 2.009 1081 K HA -0.152 4.168 4.320 0.000 0.000 0.210 1081 K C 1.932 178.424 176.600 -0.181 0.000 1.049 1081 K CA 1.114 57.313 56.287 -0.147 0.000 0.929 1081 K CB -0.233 32.159 32.500 -0.181 0.000 0.714 1081 K HN 0.043 nan 8.250 nan 0.000 0.440 1082 I N 0.606 121.008 120.570 -0.280 0.000 2.208 1082 I HA -0.241 3.929 4.170 0.000 0.000 0.245 1082 I C 2.229 178.263 176.117 -0.138 0.000 1.097 1082 I CA 1.635 62.789 61.300 -0.243 0.000 1.363 1082 I CB -1.560 36.251 38.000 -0.316 0.000 1.051 1082 I HN 0.156 nan 8.210 nan 0.000 0.413 1083 A N 0.474 123.227 122.820 -0.113 0.000 1.908 1083 A HA -0.263 4.057 4.320 0.000 0.000 0.218 1083 A C 2.392 179.940 177.584 -0.060 0.000 1.181 1083 A CA 1.957 53.952 52.037 -0.069 0.000 0.627 1083 A CB -0.754 18.216 19.000 -0.050 0.000 0.818 1083 A HN 0.522 nan 8.150 nan 0.000 0.445 1084 E N -0.242 119.919 120.200 -0.065 0.000 2.058 1084 E HA -0.162 4.188 4.350 0.000 0.000 0.194 1084 E C 2.072 178.641 176.600 -0.052 0.000 0.997 1084 E CA 1.201 57.570 56.400 -0.052 0.000 0.801 1084 E CB -0.263 29.405 29.700 -0.053 0.000 0.746 1084 E HN 0.546 nan 8.360 nan 0.000 0.450 1085 A N 0.621 123.401 122.820 -0.066 0.000 2.014 1085 A HA -0.149 4.171 4.320 0.000 0.000 0.218 1085 A C 1.643 179.195 177.584 -0.052 0.000 1.163 1085 A CA 1.518 53.519 52.037 -0.060 0.000 0.652 1085 A CB -0.235 18.721 19.000 -0.074 0.000 0.808 1085 A HN 0.244 nan 8.150 nan 0.000 0.449 1086 D N -0.301 120.066 120.400 -0.055 0.000 2.123 1086 D HA -0.066 4.574 4.640 0.000 0.000 0.200 1086 D C 2.189 178.469 176.300 -0.034 0.000 0.976 1086 D CA 0.894 54.867 54.000 -0.044 0.000 0.831 1086 D CB -0.280 40.493 40.800 -0.045 0.000 0.974 1086 D HN 0.373 nan 8.370 nan 0.000 0.469 1087 R N -0.230 120.251 120.500 -0.032 0.000 2.120 1087 R HA 0.001 4.341 4.340 0.000 0.000 0.234 1087 R C 1.606 177.892 176.300 -0.023 0.000 1.123 1087 R CA 0.792 56.878 56.100 -0.024 0.000 0.975 1087 R CB -0.033 30.253 30.300 -0.023 0.000 0.866 1087 R HN 0.184 nan 8.270 nan 0.000 0.446 1088 M N -0.197 119.387 119.600 -0.026 0.000 2.561 1088 M HA 0.128 4.608 4.480 0.000 0.000 0.238 1088 M C 0.466 176.752 176.300 -0.024 0.000 1.131 1088 M CA 0.356 55.642 55.300 -0.024 0.000 1.046 1088 M CB -0.141 32.444 32.600 -0.025 0.000 1.532 1088 M HN 0.192 nan 8.290 nan 0.000 0.497 1089 M N 0.743 120.328 119.600 -0.026 0.000 2.253 1089 M HA -0.241 4.239 4.480 0.000 0.000 0.199 1089 M C 0.053 176.337 176.300 -0.027 0.000 0.342 1089 M CA 0.698 55.983 55.300 -0.026 0.000 0.417 1089 M CB -1.416 31.172 32.600 -0.021 0.000 1.338 1089 M HN 0.238 nan 8.290 nan 0.000 0.920 1090 R N 1.661 122.142 120.500 -0.031 0.000 2.724 1090 R HA 0.352 4.693 4.340 0.000 0.000 0.284 1090 R C -2.335 173.941 176.300 -0.039 0.000 1.481 1090 R CA -1.416 54.666 56.100 -0.031 0.000 1.652 1090 R CB 0.656 30.938 30.300 -0.030 0.000 1.175 1090 R HN 0.054 nan 8.270 nan 0.000 0.613 1091 P HA -0.023 nan 4.420 nan 0.000 0.262 1091 P C -0.367 176.905 177.300 -0.047 0.000 1.182 1091 P CA 0.061 63.133 63.100 -0.048 0.000 0.761 1091 P CB 0.692 32.363 31.700 -0.048 0.000 0.795 1092 I N 5.871 126.407 120.570 -0.056 0.000 2.322 1092 I HA 0.186 4.356 4.170 0.000 0.000 0.292 1092 I C -1.671 174.423 176.117 -0.038 0.000 1.060 1092 I CA -2.915 58.356 61.300 -0.048 0.000 1.309 1092 I CB 0.218 38.181 38.000 -0.062 0.000 1.415 1092 I HN 0.199 nan 8.210 nan 0.000 0.492 1093 P HA 0.038 nan 4.420 nan 0.000 0.275 1093 P C -0.278 177.027 177.300 0.007 0.000 1.228 1093 P CA -0.402 62.684 63.100 -0.022 0.000 0.786 1093 P CB 1.037 32.735 31.700 -0.004 0.000 0.927 1094 D N 4.226 124.642 120.400 0.026 0.000 2.402 1094 D HA -0.028 4.612 4.640 0.000 0.000 0.268 1094 D C -0.876 175.485 176.300 0.102 0.000 1.294 1094 D CA -1.663 52.396 54.000 0.099 0.000 0.945 1094 D CB 0.240 41.129 40.800 0.148 0.000 1.112 1094 D HN 0.231 nan 8.370 nan 0.000 0.517 1095 P HA -0.165 nan 4.420 nan 0.000 0.223 1095 P C 0.414 177.525 177.300 -0.315 0.000 1.144 1095 P CA 1.080 64.041 63.100 -0.233 0.000 0.783 1095 P CB -0.053 31.384 31.700 -0.438 0.000 0.771 1096 Y N -3.553 116.831 120.300 0.140 0.000 2.467 1096 Y HA 0.237 4.787 4.550 0.000 0.000 0.250 1096 Y C 1.581 177.570 175.900 0.147 0.000 1.155 1096 Y CA -1.189 56.980 58.100 0.114 0.000 1.249 1096 Y CB -0.337 38.172 38.460 0.082 0.000 1.146 1096 Y HN -0.055 nan 8.280 nan 0.000 0.524 1108 P HA 0.485 nan 4.420 nan 0.000 0.295 1108 P C -0.752 176.371 177.300 -0.295 0.000 1.319 1108 P CA -0.698 61.992 63.100 -0.684 0.000 0.940 1108 P CB 2.937 34.188 31.700 -0.748 0.000 1.192 1109 V N 1.834 121.626 119.914 -0.204 0.000 2.716 1109 V HA 0.287 4.407 4.120 0.000 0.000 0.304 1109 V C 0.825 176.882 176.094 -0.062 0.000 1.053 1109 V CA -0.958 61.277 62.300 -0.108 0.000 0.984 1109 V CB 1.264 33.031 31.823 -0.093 0.000 1.021 1109 V HN 0.399 nan 8.190 nan 0.000 0.467 1110 L N 3.079 124.287 121.223 -0.025 0.000 2.371 1110 L HA 0.468 4.808 4.340 0.000 0.000 0.272 1110 L C 0.161 177.030 176.870 -0.001 0.000 1.124 1110 L CA 0.049 54.906 54.840 0.029 0.000 0.816 1110 L CB 0.783 42.876 42.059 0.057 0.000 1.129 1110 L HN 0.644 nan 8.230 nan 0.000 0.448 1111 K N 1.667 122.097 120.400 0.050 0.000 2.395 1111 K HA 0.411 4.731 4.320 0.000 0.000 0.245 1111 K C -0.784 175.867 176.600 0.084 0.000 1.017 1111 K CA -0.933 55.367 56.287 0.023 0.000 0.852 1111 K CB 1.728 34.236 32.500 0.014 0.000 1.311 1111 K HN 0.354 nan 8.250 nan 0.000 0.452 1112 K N 1.550 121.973 120.400 0.038 0.000 2.436 1112 K HA -0.026 4.294 4.320 0.000 0.000 0.275 1112 K C -0.515 176.155 176.600 0.118 0.000 0.999 1112 K CA 0.461 56.794 56.287 0.076 0.000 0.980 1112 K CB 0.643 33.150 32.500 0.012 0.000 0.919 1112 K HN 0.345 nan 8.250 nan 0.000 0.484 1113 E N 3.495 123.791 120.200 0.159 0.000 2.179 1113 E HA 0.288 4.638 4.350 0.000 0.000 0.275 1113 E C -2.435 174.120 176.600 -0.076 0.000 0.945 1113 E CA -2.076 54.334 56.400 0.016 0.000 0.792 1113 E CB 1.259 30.893 29.700 -0.109 0.000 1.125 1113 E HN 0.246 nan 8.360 nan 0.000 0.397 1114 P HA 0.200 nan 4.420 nan 0.000 0.287 1114 P C -0.973 176.268 177.300 -0.098 0.000 1.279 1114 P CA -0.541 62.508 63.100 -0.085 0.000 0.867 1114 P CB 0.720 32.400 31.700 -0.034 0.000 1.127 1115 Y N 0.584 120.866 120.300 -0.030 0.000 2.497 1115 Y HA 0.156 4.707 4.550 0.000 0.000 0.334 1115 Y C 1.102 176.980 175.900 -0.036 0.000 1.199 1115 Y CA 0.432 58.529 58.100 -0.005 0.000 1.425 1115 Y CB 0.170 38.625 38.460 -0.008 0.000 1.291 1115 Y HN 0.102 nan 8.280 nan 0.000 0.562 1116 I N 3.721 124.405 120.570 0.191 0.000 2.362 1116 I HA 0.259 4.429 4.170 0.000 0.000 0.289 1116 I C -1.047 175.163 176.117 0.154 0.000 0.994 1116 I CA -0.769 60.600 61.300 0.114 0.000 1.158 1116 I CB 1.253 39.346 38.000 0.155 0.000 1.315 1116 I HN 0.215 nan 8.210 nan 0.000 0.451 1117 V N 7.513 127.471 119.914 0.074 0.000 2.347 1117 V HA 0.246 4.366 4.120 0.000 0.000 0.280 1117 V C 0.108 176.332 176.094 0.216 0.000 1.021 1117 V CA -0.664 61.740 62.300 0.173 0.000 0.847 1117 V CB 1.620 33.564 31.823 0.201 0.000 0.990 1117 V HN 0.381 nan 8.190 nan 0.000 0.444 1118 V N 7.154 127.176 119.914 0.180 0.000 2.368 1118 V HA 0.354 4.474 4.120 0.000 0.000 0.266 1118 V C -0.003 176.155 176.094 0.106 0.000 1.045 1118 V CA -0.249 62.131 62.300 0.134 0.000 0.899 1118 V CB 1.222 33.106 31.823 0.102 0.000 1.006 1118 V HN 0.635 nan 8.190 nan 0.000 0.470 1119 L N 5.834 127.107 121.223 0.083 0.000 2.287 1119 L HA 0.584 4.924 4.340 0.000 0.000 0.287 1119 L C -0.634 176.251 176.870 0.025 0.000 1.022 1119 L CA -0.333 54.527 54.840 0.033 0.000 0.814 1119 L CB 1.769 43.807 42.059 -0.034 0.000 1.217 1119 L HN 0.428 nan 8.230 nan 0.000 0.420 1120 V N 3.139 123.071 119.914 0.030 0.000 2.349 1120 V HA 0.229 4.349 4.120 0.000 0.000 0.284 1120 V C -0.558 175.587 176.094 0.085 0.000 1.014 1120 V CA -0.714 61.621 62.300 0.058 0.000 0.826 1120 V CB 1.514 33.378 31.823 0.069 0.000 1.009 1120 V HN 0.583 nan 8.190 nan 0.000 0.431 1121 D N 4.445 124.889 120.400 0.074 0.000 2.295 1121 D HA 0.273 4.913 4.640 0.000 0.000 0.248 1121 D C 0.397 176.760 176.300 0.105 0.000 1.154 1121 D CA 0.139 54.188 54.000 0.081 0.000 0.857 1121 D CB 0.875 41.706 40.800 0.052 0.000 1.117 1121 D HN 0.665 nan 8.370 nan 0.000 0.468 1122 E N 3.082 123.363 120.200 0.136 0.000 2.414 1122 E HA -0.268 4.082 4.350 0.000 0.000 0.173 1122 E C -0.230 176.450 176.600 0.134 0.000 1.551 1122 E CA 0.392 56.864 56.400 0.119 0.000 0.661 1122 E CB -2.038 27.693 29.700 0.052 0.000 1.108 1122 E HN 0.533 nan 8.360 nan 0.000 0.365 1123 F N 0.130 120.091 119.950 0.019 0.000 2.816 1123 F HA 0.397 4.924 4.527 0.000 0.000 0.302 1123 F C 1.678 177.486 175.800 0.013 0.000 1.178 1123 F CA 0.351 58.360 58.000 0.016 0.000 1.421 1123 F CB -0.142 38.869 39.000 0.018 0.000 1.114 1123 F HN 0.261 nan 8.300 nan 0.000 0.573 1124 A N 0.696 123.235 122.820 -0.469 0.000 1.968 1124 A HA -0.117 4.203 4.320 0.000 0.000 0.217 1124 A C 1.984 179.423 177.584 -0.242 0.000 1.169 1124 A CA 1.624 53.376 52.037 -0.474 0.000 0.638 1124 A CB -0.674 18.159 19.000 -0.278 0.000 0.812 1124 A HN 0.426 nan 8.150 nan 0.000 0.446 1125 D N 0.003 120.326 120.400 -0.128 0.000 2.117 1125 D HA -0.108 4.532 4.640 0.000 0.000 0.198 1125 D C 1.921 178.191 176.300 -0.051 0.000 0.982 1125 D CA 0.812 54.773 54.000 -0.066 0.000 0.828 1125 D CB -0.340 40.444 40.800 -0.026 0.000 0.967 1125 D HN 0.405 nan 8.370 nan 0.000 0.464 1126 L N 0.332 121.538 121.223 -0.029 0.000 2.079 1126 L HA -0.182 4.158 4.340 0.000 0.000 0.210 1126 L C 2.366 179.230 176.870 -0.009 0.000 1.081 1126 L CA 0.800 55.651 54.840 0.019 0.000 0.752 1126 L CB -0.059 42.067 42.059 0.111 0.000 0.896 1126 L HN 0.043 nan 8.230 nan 0.000 0.433 1127 M N -1.714 117.830 119.600 -0.094 0.000 2.156 1127 M HA -0.130 4.350 4.480 0.000 0.000 0.264 1127 M C 1.207 177.466 176.300 -0.069 0.000 1.067 1127 M CA 1.328 56.569 55.300 -0.099 0.000 1.131 1127 M CB -0.691 31.766 32.600 -0.238 0.000 1.368 1127 M HN 0.155 nan 8.290 nan 0.000 0.416 1128 M N 0.521 120.072 119.600 -0.081 0.000 3.709 1128 M HA 0.072 4.552 4.480 0.000 0.000 0.202 1128 M C 0.770 177.050 176.300 -0.033 0.000 1.360 1128 M CA 0.380 55.648 55.300 -0.054 0.000 1.600 1128 M CB -0.437 32.127 32.600 -0.060 0.000 1.061 1128 M HN 0.367 nan 8.290 nan 0.000 0.575 1129 T N -2.739 111.802 114.554 -0.022 0.000 4.344 1129 T HA 0.061 4.411 4.350 0.000 0.000 0.288 1129 T C 0.174 174.872 174.700 -0.003 0.000 0.956 1129 T CA 0.348 62.442 62.100 -0.011 0.000 0.621 1129 T CB -0.279 68.582 68.868 -0.010 0.000 1.042 1129 T HN 0.097 nan 8.240 nan 0.000 0.792 1130 V N 1.212 121.126 119.914 0.001 0.000 3.399 1130 V HA 0.476 4.597 4.120 0.000 0.000 0.357 1130 V C 2.232 178.337 176.094 0.018 0.000 1.480 1130 V CA 0.074 62.381 62.300 0.012 0.000 1.263 1130 V CB 0.179 32.014 31.823 0.020 0.000 1.103 1130 V HN 0.440 nan 8.190 nan 0.000 0.533 1131 G N 1.543 110.348 108.800 0.009 0.000 2.863 1131 G HA2 -0.293 3.667 3.960 0.000 0.000 0.217 1131 G HA3 -0.293 3.667 3.960 0.000 0.000 0.217 1131 G C 1.518 176.435 174.900 0.028 0.000 1.315 1131 G CA 1.381 46.490 45.100 0.015 0.000 0.796 1131 G HN 0.372 nan 8.290 nan 0.000 0.669 1132 K N 0.509 120.920 120.400 0.018 0.000 2.160 1132 K HA -0.108 4.212 4.320 0.000 0.000 0.206 1132 K C 2.367 178.980 176.600 0.020 0.000 1.047 1132 K CA 1.418 57.717 56.287 0.019 0.000 0.930 1132 K CB -0.294 32.213 32.500 0.012 0.000 0.720 1132 K HN 0.486 nan 8.250 nan 0.000 0.450 1133 K N 0.571 120.983 120.400 0.021 0.000 2.167 1133 K HA -0.041 4.280 4.320 0.000 0.000 0.203 1133 K C 1.927 178.544 176.600 0.027 0.000 1.052 1133 K CA 0.549 56.848 56.287 0.020 0.000 0.956 1133 K CB 0.293 32.804 32.500 0.019 0.000 0.735 1133 K HN -0.136 nan 8.250 nan 0.000 0.451 1134 V N 1.290 121.227 119.914 0.039 0.000 2.346 1134 V HA -0.154 3.966 4.120 0.000 0.000 0.244 1134 V C 1.924 178.049 176.094 0.052 0.000 1.037 1134 V CA 1.583 63.915 62.300 0.053 0.000 1.029 1134 V CB -0.349 31.524 31.823 0.084 0.000 0.663 1134 V HN 0.337 nan 8.190 nan 0.000 0.454 1135 E N 0.013 120.248 120.200 0.059 0.000 2.097 1135 E HA -0.317 4.033 4.350 0.000 0.000 0.196 1135 E C 2.231 178.844 176.600 0.022 0.000 1.000 1135 E CA 1.777 58.208 56.400 0.051 0.000 0.804 1135 E CB -0.064 29.666 29.700 0.050 0.000 0.740 1135 E HN 0.679 nan 8.360 nan 0.000 0.454 1136 E N 0.526 120.737 120.200 0.018 0.000 2.031 1136 E HA -0.187 4.163 4.350 0.000 0.000 0.193 1136 E C 2.107 178.707 176.600 -0.001 0.000 0.994 1136 E CA 0.937 57.341 56.400 0.007 0.000 0.800 1136 E CB 0.010 29.714 29.700 0.007 0.000 0.752 1136 E HN 0.183 nan 8.360 nan 0.000 0.447 1137 L N 0.386 121.611 121.223 0.004 0.000 2.093 1137 L HA -0.143 4.197 4.340 0.000 0.000 0.208 1137 L C 2.478 179.334 176.870 -0.023 0.000 1.085 1137 L CA 0.741 55.578 54.840 -0.004 0.000 0.755 1137 L CB -0.285 41.780 42.059 0.010 0.000 0.904 1137 L HN 0.274 nan 8.230 nan 0.000 0.435 1138 I N -0.109 120.447 120.570 -0.024 0.000 2.226 1138 I HA -0.302 3.868 4.170 0.000 0.000 0.245 1138 I C 2.811 178.877 176.117 -0.085 0.000 1.100 1138 I CA 1.189 62.450 61.300 -0.064 0.000 1.374 1138 I CB -0.416 37.548 38.000 -0.059 0.000 1.057 1138 I HN 0.210 nan 8.210 nan 0.000 0.413 1139 A N 0.757 123.547 122.820 -0.050 0.000 1.908 1139 A HA -0.280 4.041 4.320 0.000 0.000 0.218 1139 A C 2.420 179.975 177.584 -0.048 0.000 1.181 1139 A CA 2.050 54.060 52.037 -0.045 0.000 0.627 1139 A CB -0.690 18.297 19.000 -0.021 0.000 0.818 1139 A HN 0.376 nan 8.150 nan 0.000 0.445 1140 R N -0.605 119.872 120.500 -0.040 0.000 2.092 1140 R HA -0.018 4.322 4.340 0.000 0.000 0.231 1140 R C 2.022 178.296 176.300 -0.042 0.000 1.119 1140 R CA 1.285 57.365 56.100 -0.034 0.000 0.970 1140 R CB -0.346 29.939 30.300 -0.026 0.000 0.864 1140 R HN 0.530 nan 8.270 nan 0.000 0.440 1141 L N 0.141 121.322 121.223 -0.069 0.000 1.973 1141 L HA -0.129 4.211 4.340 0.000 0.000 0.208 1141 L C 2.663 179.453 176.870 -0.134 0.000 1.073 1141 L CA 1.402 56.186 54.840 -0.092 0.000 0.746 1141 L CB -0.688 41.298 42.059 -0.122 0.000 0.891 1141 L HN 0.344 nan 8.230 nan 0.000 0.433 1142 A N -0.554 122.100 122.820 -0.277 0.000 1.940 1142 A HA -0.362 3.958 4.320 0.000 0.000 0.221 1142 A C 2.133 179.709 177.584 -0.012 0.000 1.190 1142 A CA 2.333 54.142 52.037 -0.380 0.000 0.647 1142 A CB -0.785 18.034 19.000 -0.302 0.000 0.821 1142 A HN 0.578 nan 8.150 nan 0.000 0.457 1143 Q N -1.153 118.640 119.800 -0.011 0.000 2.061 1143 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 1143 Q C 1.205 177.240 176.000 0.059 0.000 0.984 1143 Q CA 1.886 57.705 55.803 0.027 0.000 0.846 1143 Q CB -0.104 28.634 28.738 0.001 0.000 0.902 1143 Q HN 0.707 nan 8.270 nan 0.000 0.421 1144 K N -1.676 118.766 120.400 0.070 0.000 2.501 1144 K HA 0.308 4.629 4.320 0.000 0.000 0.204 1144 K C 0.987 177.717 176.600 0.217 0.000 1.067 1144 K CA 0.264 56.622 56.287 0.119 0.000 1.060 1144 K CB 1.118 33.657 32.500 0.066 0.000 0.873 1144 K HN 0.014 nan 8.250 nan 0.000 0.540 1145 A N 1.667 124.571 122.820 0.140 0.000 2.066 1145 A HA -0.102 4.218 4.320 0.000 0.000 0.218 1145 A C 2.090 179.651 177.584 -0.038 0.000 1.157 1145 A CA 0.852 52.922 52.037 0.054 0.000 0.670 1145 A CB -0.304 18.712 19.000 0.025 0.000 0.804 1145 A HN 0.249 nan 8.150 nan 0.000 0.453 1146 R N 0.089 120.592 120.500 0.005 0.000 2.132 1146 R HA -0.227 4.113 4.340 0.000 0.000 0.233 1146 R C 2.239 178.540 176.300 0.001 0.000 1.125 1146 R CA 2.036 58.082 56.100 -0.090 0.000 0.914 1146 R CB -0.580 29.720 30.300 0.000 0.000 0.845 1146 R HN 0.399 nan 8.270 nan 0.000 0.431 1147 A N 0.369 123.251 122.820 0.104 0.000 2.024 1147 A HA -0.109 4.211 4.320 0.000 0.000 0.220 1147 A C 2.261 179.814 177.584 -0.051 0.000 1.164 1147 A CA 1.767 53.876 52.037 0.120 0.000 0.643 1147 A CB -0.664 18.492 19.000 0.260 0.000 0.806 1147 A HN 0.636 nan 8.150 nan 0.000 0.451 1148 A N -1.778 120.888 122.820 -0.257 0.000 2.168 1148 A HA 0.362 4.682 4.320 0.000 0.000 0.215 1148 A C 1.875 179.290 177.584 -0.282 0.000 1.152 1148 A CA 1.367 53.088 52.037 -0.527 0.000 0.716 1148 A CB -0.906 17.652 19.000 -0.736 0.000 0.794 1148 A HN 1.954 nan 8.150 nan 0.000 0.465 1149 G N -1.331 107.405 108.800 -0.106 0.000 2.132 1149 G HA2 -0.189 3.771 3.960 0.000 0.000 0.228 1149 G HA3 -0.189 3.771 3.960 0.000 0.000 0.228 1149 G C -0.065 174.921 174.900 0.145 0.000 1.000 1149 G CA 0.224 45.403 45.100 0.132 0.000 0.693 1149 G HN 0.474 nan 8.290 nan 0.000 0.515 1150 I N 0.684 121.157 120.570 -0.162 0.000 2.406 1150 I HA 0.541 4.711 4.170 0.000 0.000 0.290 1150 I C -0.151 175.797 176.117 -0.281 0.000 0.999 1150 I CA -1.020 60.235 61.300 -0.075 0.000 1.124 1150 I CB 1.615 39.582 38.000 -0.055 0.000 1.289 1150 I HN 0.130 nan 8.210 nan 0.000 0.441 1151 H N 5.340 124.517 119.070 0.179 0.000 2.679 1151 H HA 0.551 5.107 4.556 0.000 0.000 0.360 1151 H C -1.148 174.330 175.328 0.250 0.000 1.105 1151 H CA -0.686 55.507 56.048 0.242 0.000 1.196 1151 H CB 1.930 31.730 29.762 0.063 0.000 1.636 1151 H HN 0.284 nan 8.280 nan 0.000 0.531 1152 L N 2.653 124.174 121.223 0.497 0.000 2.325 1152 L HA 0.511 4.851 4.340 0.000 0.000 0.279 1152 L C -0.679 176.290 176.870 0.164 0.000 1.054 1152 L CA -0.505 54.451 54.840 0.193 0.000 0.804 1152 L CB 1.669 43.703 42.059 -0.042 0.000 1.200 1152 L HN 0.493 nan 8.230 nan 0.000 0.436 1153 V N 5.174 125.133 119.914 0.075 0.000 2.462 1153 V HA 0.409 4.529 4.120 0.000 0.000 0.288 1153 V C -0.489 175.593 176.094 -0.020 0.000 1.020 1153 V CA -0.549 61.778 62.300 0.045 0.000 0.857 1153 V CB 1.553 33.414 31.823 0.063 0.000 1.013 1153 V HN 0.456 nan 8.190 nan 0.000 0.431 1154 L N 4.470 125.636 121.223 -0.095 0.000 2.287 1154 L HA 0.890 5.230 4.340 0.000 0.000 0.287 1154 L C 0.300 177.138 176.870 -0.054 0.000 1.022 1154 L CA -0.456 54.260 54.840 -0.207 0.000 0.814 1154 L CB 1.693 43.352 42.059 -0.667 0.000 1.217 1154 L HN 0.673 nan 8.230 nan 0.000 0.420 1155 A N 2.365 125.238 122.820 0.088 0.000 2.340 1155 A HA 0.872 5.192 4.320 0.000 0.000 0.331 1155 A C -0.362 177.389 177.584 0.278 0.000 1.140 1155 A CA -0.480 51.656 52.037 0.164 0.000 0.801 1155 A CB 1.991 21.061 19.000 0.117 0.000 1.234 1155 A HN 0.600 nan 8.150 nan 0.000 0.469 1156 T N 0.082 114.782 114.554 0.243 0.000 2.885 1156 T HA 0.455 4.806 4.350 0.000 0.000 0.322 1156 T C -0.840 173.935 174.700 0.125 0.000 1.387 1156 T CA -0.292 61.925 62.100 0.196 0.000 1.041 1156 T CB 1.436 70.443 68.868 0.231 0.000 1.287 1156 T HN 0.607 nan 8.240 nan 0.000 0.491 1157 Q N 1.304 121.146 119.800 0.070 0.000 2.110 1157 Q HA 0.329 4.669 4.340 0.000 0.000 0.232 1157 Q C 0.032 176.051 176.000 0.032 0.000 0.810 1157 Q CA -0.091 55.745 55.803 0.055 0.000 1.083 1157 Q CB 0.832 29.592 28.738 0.037 0.000 1.193 1157 Q HN 0.345 nan 8.270 nan 0.000 0.471 1158 R N 1.038 121.549 120.500 0.018 0.000 2.738 1158 R HA 0.238 4.578 4.340 0.000 0.000 0.280 1158 R C -2.635 173.663 176.300 -0.003 0.000 1.456 1158 R CA -1.578 54.519 56.100 -0.006 0.000 1.612 1158 R CB 0.911 31.186 30.300 -0.041 0.000 1.286 1158 R HN -0.065 nan 8.270 nan 0.000 0.660 1159 P HA -0.062 nan 4.420 nan 0.000 0.245 1159 P C -0.306 177.008 177.300 0.025 0.000 1.670 1159 P CA 0.462 63.589 63.100 0.046 0.000 1.146 1159 P CB 0.112 31.849 31.700 0.061 0.000 1.954 1160 S N -0.491 115.211 115.700 0.003 0.000 2.718 1160 S HA 0.294 4.764 4.470 0.000 0.000 0.300 1160 S C 1.128 175.731 174.600 0.005 0.000 1.117 1160 S CA -0.777 57.421 58.200 -0.002 0.000 1.002 1160 S CB 1.057 64.245 63.200 -0.021 0.000 1.092 1160 S HN -0.022 nan 8.310 nan 0.000 0.542 1161 V N 1.101 121.018 119.914 0.006 0.000 2.913 1161 V HA -0.078 4.042 4.120 0.000 0.000 0.260 1161 V C 1.401 177.499 176.094 0.006 0.000 1.098 1161 V CA 1.678 63.985 62.300 0.012 0.000 1.121 1161 V CB -1.050 30.779 31.823 0.010 0.000 0.714 1161 V HN 0.794 nan 8.190 nan 0.000 0.487 1162 D N -0.127 120.266 120.400 -0.012 0.000 2.234 1162 D HA -0.039 4.601 4.640 0.000 0.000 0.205 1162 D C 1.993 178.261 176.300 -0.052 0.000 0.962 1162 D CA 0.849 54.833 54.000 -0.027 0.000 0.855 1162 D CB 0.187 40.964 40.800 -0.038 0.000 0.951 1162 D HN 0.383 nan 8.370 nan 0.000 0.500 1163 V N 0.854 120.725 119.914 -0.072 0.000 2.484 1163 V HA 0.007 4.127 4.120 0.000 0.000 0.236 1163 V C 1.078 177.197 176.094 0.042 0.000 1.062 1163 V CA 0.370 62.569 62.300 -0.168 0.000 1.081 1163 V CB 0.220 31.881 31.823 -0.271 0.000 0.751 1163 V HN 0.074 nan 8.190 nan 0.000 0.484 1164 I N 3.587 124.224 120.570 0.112 0.000 2.270 1164 I HA 0.151 4.321 4.170 0.000 0.000 0.300 1164 I C 0.897 177.079 176.117 0.109 0.000 1.186 1164 I CA 0.350 61.763 61.300 0.189 0.000 1.431 1164 I CB -1.225 36.860 38.000 0.142 0.000 1.485 1164 I HN 0.424 nan 8.210 nan 0.000 0.650 1165 T N 0.651 115.273 114.554 0.113 0.000 2.754 1165 T HA 0.384 4.734 4.350 0.000 0.000 0.286 1165 T C 1.564 176.297 174.700 0.055 0.000 0.997 1165 T CA -0.062 62.078 62.100 0.068 0.000 0.982 1165 T CB 1.551 70.457 68.868 0.063 0.000 1.027 1165 T HN 0.510 nan 8.240 nan 0.000 0.529 1166 G N -0.228 108.594 108.800 0.036 0.000 2.421 1166 G HA2 -0.091 3.869 3.960 0.000 0.000 0.216 1166 G HA3 -0.091 3.869 3.960 0.000 0.000 0.216 1166 G C 1.464 176.379 174.900 0.024 0.000 1.171 1166 G CA 0.546 45.661 45.100 0.026 0.000 0.775 1166 G HN 0.681 nan 8.290 nan 0.000 0.543 1167 L N 0.319 121.558 121.223 0.027 0.000 2.046 1167 L HA -0.088 4.252 4.340 0.000 0.000 0.208 1167 L C 2.870 179.752 176.870 0.020 0.000 1.077 1167 L CA 0.557 55.410 54.840 0.020 0.000 0.747 1167 L CB -0.410 41.662 42.059 0.021 0.000 0.896 1167 L HN 0.151 nan 8.230 nan 0.000 0.432 1168 I N 0.330 120.925 120.570 0.041 0.000 2.142 1168 I HA -0.272 3.898 4.170 0.000 0.000 0.240 1168 I C 2.485 178.608 176.117 0.010 0.000 1.078 1168 I CA 1.601 62.920 61.300 0.032 0.000 1.343 1168 I CB -0.967 37.097 38.000 0.107 0.000 1.046 1168 I HN 0.282 nan 8.210 nan 0.000 0.405 1169 K N 0.946 121.362 120.400 0.026 0.000 2.097 1169 K HA -0.109 4.211 4.320 0.000 0.000 0.206 1169 K C 2.154 178.757 176.600 0.004 0.000 1.049 1169 K CA 1.527 57.822 56.287 0.013 0.000 0.933 1169 K CB -0.263 32.248 32.500 0.019 0.000 0.717 1169 K HN 0.288 nan 8.250 nan 0.000 0.442 1170 A N 1.635 124.459 122.820 0.006 0.000 2.019 1170 A HA -0.170 4.150 4.320 0.000 0.000 0.219 1170 A C 1.415 179.000 177.584 0.002 0.000 1.164 1170 A CA 1.745 53.784 52.037 0.003 0.000 0.644 1170 A CB -0.392 18.610 19.000 0.004 0.000 0.805 1170 A HN 0.343 nan 8.150 nan 0.000 0.449 1171 N N -1.619 117.078 118.700 -0.005 0.000 2.282 1171 N HA 0.223 4.963 4.740 0.000 0.000 0.185 1171 N C -0.740 174.773 175.510 0.005 0.000 1.099 1171 N CA 0.101 53.146 53.050 -0.008 0.000 0.878 1171 N CB 0.629 39.094 38.487 -0.036 0.000 0.993 1171 N HN 0.299 nan 8.380 nan 0.000 0.481 1172 I N 2.079 122.649 120.570 -0.001 0.000 2.388 1172 I HA 0.223 4.393 4.170 0.000 0.000 0.281 1172 I C -1.533 174.592 176.117 0.014 0.000 1.046 1172 I CA -2.401 58.913 61.300 0.022 0.000 1.187 1172 I CB 1.542 39.528 38.000 -0.023 0.000 1.351 1172 I HN -0.082 nan 8.210 nan 0.000 0.472 1173 P HA -0.069 nan 4.420 nan 0.000 0.215 1173 P C 0.374 177.640 177.300 -0.056 0.000 1.157 1173 P CA 1.055 64.150 63.100 -0.009 0.000 0.863 1173 P CB 0.037 31.741 31.700 0.006 0.000 0.787 1174 T N 2.619 117.137 114.554 -0.060 0.000 2.794 1174 T HA 0.322 4.672 4.350 0.000 0.000 0.296 1174 T C 0.366 174.982 174.700 -0.140 0.000 0.949 1174 T CA -0.188 61.822 62.100 -0.150 0.000 1.101 1174 T CB 0.609 69.413 68.868 -0.106 0.000 0.905 1174 T HN 0.064 nan 8.240 nan 0.000 0.516 1175 R N 2.668 123.037 120.500 -0.219 0.000 2.750 1175 R HA 0.689 5.029 4.340 0.000 0.000 0.281 1175 R C -0.939 175.255 176.300 -0.175 0.000 0.972 1175 R CA -0.881 55.135 56.100 -0.140 0.000 0.912 1175 R CB 2.193 32.436 30.300 -0.095 0.000 1.187 1175 R HN 0.507 nan 8.270 nan 0.000 0.464 1176 I N 1.296 121.818 120.570 -0.081 0.000 2.499 1176 I HA 0.446 4.616 4.170 0.000 0.000 0.288 1176 I C -0.687 175.374 176.117 -0.092 0.000 1.048 1176 I CA -0.770 60.472 61.300 -0.097 0.000 1.062 1176 I CB 2.201 40.166 38.000 -0.057 0.000 1.238 1176 I HN 0.660 nan 8.210 nan 0.000 0.426 1177 A N 6.467 129.200 122.820 -0.145 0.000 2.304 1177 A HA 0.778 5.098 4.320 0.000 0.000 0.314 1177 A C -1.033 176.457 177.584 -0.157 0.000 1.187 1177 A CA -0.293 51.704 52.037 -0.067 0.000 0.810 1177 A CB 0.540 19.527 19.000 -0.022 0.000 1.183 1177 A HN 0.520 nan 8.150 nan 0.000 0.487 1178 F N 0.614 120.597 119.950 0.055 0.000 2.364 1178 F HA 0.401 4.928 4.527 0.000 0.000 0.316 1178 F C 1.498 177.327 175.800 0.049 0.000 1.133 1178 F CA 0.024 58.058 58.000 0.057 0.000 1.051 1178 F CB 0.793 39.828 39.000 0.058 0.000 1.342 1178 F HN 0.512 nan 8.300 nan 0.000 0.507 1179 T N 2.374 117.085 114.554 0.261 0.000 2.849 1179 T HA 0.352 4.702 4.350 0.000 0.000 0.289 1179 T C -0.239 174.535 174.700 0.125 0.000 1.010 1179 T CA -0.161 62.029 62.100 0.151 0.000 1.161 1179 T CB -0.350 68.595 68.868 0.128 0.000 0.989 1179 T HN 0.487 nan 8.240 nan 0.000 0.523 1180 V N 0.576 120.543 119.914 0.087 0.000 3.046 1180 V HA 0.658 4.779 4.120 0.000 0.000 0.316 1180 V C 1.024 177.148 176.094 0.051 0.000 1.104 1180 V CA -0.482 61.860 62.300 0.070 0.000 1.006 1180 V CB 1.859 33.720 31.823 0.062 0.000 1.058 1180 V HN 0.799 nan 8.190 nan 0.000 0.440 1181 S N 0.417 116.142 115.700 0.042 0.000 2.461 1181 S HA 0.137 4.607 4.470 0.000 0.000 0.228 1181 S C 0.854 175.471 174.600 0.027 0.000 1.005 1181 S CA 0.521 58.741 58.200 0.032 0.000 0.942 1181 S CB -0.569 62.647 63.200 0.027 0.000 0.776 1181 S HN 1.736 nan 8.310 nan 0.000 0.514 1182 S N -0.339 115.377 115.700 0.027 0.000 2.638 1182 S HA 0.529 5.000 4.470 0.000 0.000 0.274 1182 S C 0.058 174.671 174.600 0.021 0.000 1.157 1182 S CA -1.058 57.155 58.200 0.022 0.000 0.826 1182 S CB 1.513 64.724 63.200 0.018 0.000 1.139 1182 S HN 0.027 nan 8.310 nan 0.000 0.474 1183 K N 0.399 120.810 120.400 0.017 0.000 2.097 1183 K HA -0.011 4.309 4.320 0.000 0.000 0.205 1183 K C 1.992 178.601 176.600 0.015 0.000 1.050 1183 K CA 1.801 58.097 56.287 0.015 0.000 0.938 1183 K CB -0.703 31.804 32.500 0.011 0.000 0.718 1183 K HN 0.746 nan 8.250 nan 0.000 0.442 1184 I N -0.716 119.863 120.570 0.015 0.000 2.252 1184 I HA -0.211 3.959 4.170 0.000 0.000 0.245 1184 I C 1.478 177.606 176.117 0.018 0.000 1.102 1184 I CA 1.554 62.863 61.300 0.014 0.000 1.385 1184 I CB -0.293 37.715 38.000 0.013 0.000 1.064 1184 I HN -0.041 nan 8.210 nan 0.000 0.414 1185 D N 1.141 121.554 120.400 0.022 0.000 2.123 1185 D HA -0.201 4.439 4.640 0.000 0.000 0.196 1185 D C 2.349 178.667 176.300 0.030 0.000 0.992 1185 D CA 1.913 55.930 54.000 0.028 0.000 0.833 1185 D CB -0.055 40.765 40.800 0.033 0.000 0.954 1185 D HN 0.463 nan 8.370 nan 0.000 0.455 1186 S N 0.197 115.913 115.700 0.026 0.000 2.356 1186 S HA -0.151 4.319 4.470 0.000 0.000 0.223 1186 S C 1.985 176.594 174.600 0.015 0.000 1.032 1186 S CA 0.985 59.199 58.200 0.022 0.000 1.005 1186 S CB 0.086 63.297 63.200 0.018 0.000 0.867 1186 S HN 0.110 nan 8.310 nan 0.000 0.449 1187 R N -0.001 120.507 120.500 0.013 0.000 2.081 1187 R HA -0.044 4.296 4.340 0.000 0.000 0.235 1187 R C 2.474 178.782 176.300 0.013 0.000 1.131 1187 R CA 1.940 58.046 56.100 0.010 0.000 0.960 1187 R CB -0.794 29.512 30.300 0.009 0.000 0.856 1187 R HN 0.406 nan 8.270 nan 0.000 0.436 1188 T N 1.029 115.594 114.554 0.020 0.000 2.759 1188 T HA -0.100 4.250 4.350 0.000 0.000 0.269 1188 T C 1.659 176.377 174.700 0.031 0.000 1.042 1188 T CA 1.103 63.219 62.100 0.026 0.000 1.140 1188 T CB -0.021 68.866 68.868 0.032 0.000 0.864 1188 T HN 0.096 nan 8.240 nan 0.000 0.455 1189 I N 0.127 120.715 120.570 0.030 0.000 2.429 1189 I HA 0.138 4.309 4.170 0.000 0.000 0.247 1189 I C 1.905 178.023 176.117 0.003 0.000 1.099 1189 I CA 1.211 62.528 61.300 0.028 0.000 1.422 1189 I CB -0.907 37.113 38.000 0.033 0.000 1.112 1189 I HN 0.254 nan 8.210 nan 0.000 0.430 1190 L N -0.085 121.135 121.223 -0.005 0.000 2.766 1190 L HA 0.206 4.546 4.340 0.000 0.000 0.242 1190 L C -0.118 176.742 176.870 -0.017 0.000 1.136 1190 L CA 0.031 54.857 54.840 -0.022 0.000 0.933 1190 L CB 0.082 42.124 42.059 -0.028 0.000 1.241 1190 L HN 0.151 nan 8.230 nan 0.000 0.522 1191 D N 1.555 121.952 120.400 -0.006 0.000 2.772 1191 D HA -0.237 4.403 4.640 0.000 0.000 0.233 1191 D C 0.218 176.515 176.300 -0.006 0.000 1.143 1191 D CA 1.035 55.032 54.000 -0.004 0.000 0.700 1191 D CB -0.559 40.237 40.800 -0.007 0.000 1.076 1191 D HN 0.571 nan 8.370 nan 0.000 0.430 1192 Q N -1.360 118.437 119.800 -0.004 0.000 2.686 1192 Q HA 0.514 4.854 4.340 0.000 0.000 0.266 1192 Q C -1.680 174.319 176.000 -0.001 0.000 0.965 1192 Q CA -0.354 55.446 55.803 -0.004 0.000 0.894 1192 Q CB 1.226 29.958 28.738 -0.010 0.000 1.583 1192 Q HN 0.066 nan 8.270 nan 0.000 0.405 1193 A N 0.600 123.421 122.820 0.002 0.000 2.280 1193 A HA 0.839 5.159 4.320 0.000 0.000 0.268 1193 A C 0.963 178.550 177.584 0.005 0.000 1.111 1193 A CA 0.874 52.914 52.037 0.005 0.000 0.814 1193 A CB 0.309 19.312 19.000 0.005 0.000 1.093 1193 A HN 1.605 nan 8.150 nan 0.000 0.498 1194 G N -2.054 106.752 108.800 0.010 0.000 2.796 1194 G HA2 0.104 4.064 3.960 0.000 0.000 0.198 1194 G HA3 0.104 4.064 3.960 0.000 0.000 0.198 1194 G C 1.323 176.234 174.900 0.018 0.000 1.062 1194 G CA 0.843 45.950 45.100 0.012 0.000 0.752 1194 G HN 1.792 nan 8.290 nan 0.000 0.487 1195 A N 1.116 123.946 122.820 0.017 0.000 2.070 1195 A HA 0.224 4.544 4.320 0.000 0.000 0.220 1195 A C 1.827 179.435 177.584 0.040 0.000 1.159 1195 A CA 2.324 54.377 52.037 0.026 0.000 0.656 1195 A CB -0.416 18.599 19.000 0.025 0.000 0.800 1195 A HN 0.833 nan 8.150 nan 0.000 0.453 1196 E N -0.277 119.943 120.200 0.034 0.000 2.489 1196 E HA 0.136 4.486 4.350 0.000 0.000 0.193 1196 E C 0.839 177.460 176.600 0.034 0.000 1.057 1196 E CA 0.776 57.198 56.400 0.035 0.000 0.866 1196 E CB -0.275 29.442 29.700 0.028 0.000 0.916 1196 E HN 0.274 nan 8.360 nan 0.000 0.500 1197 S N 0.162 115.882 115.700 0.035 0.000 2.602 1197 S HA 0.314 4.784 4.470 0.000 0.000 0.240 1197 S C 0.165 174.792 174.600 0.046 0.000 0.992 1197 S CA -0.465 57.756 58.200 0.035 0.000 0.971 1197 S CB 0.031 63.248 63.200 0.028 0.000 0.855 1197 S HN 0.152 nan 8.310 nan 0.000 0.481 1198 L N 0.797 122.054 121.223 0.056 0.000 2.416 1198 L HA 0.445 4.785 4.340 0.000 0.000 0.262 1198 L C 0.673 177.585 176.870 0.071 0.000 1.093 1198 L CA -0.549 54.336 54.840 0.075 0.000 0.801 1198 L CB 0.688 42.801 42.059 0.090 0.000 1.191 1198 L HN 0.164 nan 8.230 nan 0.000 0.459 1199 L N 1.257 122.525 121.223 0.076 0.000 2.728 1199 L HA 0.292 4.632 4.340 0.000 0.000 0.235 1199 L C 0.975 177.877 176.870 0.053 0.000 1.197 1199 L CA -0.048 54.823 54.840 0.050 0.000 0.992 1199 L CB -0.852 41.222 42.059 0.025 0.000 1.263 1199 L HN 0.937 nan 8.230 nan 0.000 0.484 1200 G N 0.281 109.132 108.800 0.085 0.000 2.697 1200 G HA2 -0.346 3.614 3.960 0.000 0.000 0.240 1200 G HA3 -0.346 3.614 3.960 0.000 0.000 0.240 1200 G C 0.259 175.212 174.900 0.089 0.000 1.346 1200 G CA -0.227 44.924 45.100 0.086 0.000 0.887 1200 G HN 0.289 nan 8.290 nan 0.000 0.569 1201 M N -0.478 119.157 119.600 0.057 0.000 2.259 1201 M HA -0.161 4.319 4.480 0.000 0.000 0.188 1201 M C 1.720 178.081 176.300 0.103 0.000 0.665 1201 M CA 1.770 57.096 55.300 0.044 0.000 0.464 1201 M CB -1.833 30.760 32.600 -0.012 0.000 1.063 1201 M HN 2.898 nan 8.290 nan 0.000 0.912 1202 G N -0.816 108.081 108.800 0.161 0.000 2.199 1202 G HA2 -0.254 3.706 3.960 0.000 0.000 0.254 1202 G HA3 -0.254 3.706 3.960 0.000 0.000 0.254 1202 G C -0.131 175.053 174.900 0.472 0.000 0.982 1202 G CA 0.298 45.596 45.100 0.329 0.000 0.632 1202 G HN 0.635 nan 8.290 nan 0.000 0.529 1203 D N 1.338 121.945 120.400 0.345 0.000 2.425 1203 D HA 0.549 5.189 4.640 0.000 0.000 0.247 1203 D C 0.939 177.357 176.300 0.197 0.000 1.147 1203 D CA 0.679 54.849 54.000 0.283 0.000 0.879 1203 D CB 0.222 41.154 40.800 0.219 0.000 1.179 1203 D HN 0.725 nan 8.370 nan 0.000 0.456 1204 M N 1.375 120.977 119.600 0.004 0.000 2.721 1204 M HA 0.478 4.958 4.480 0.000 0.000 0.271 1204 M C -1.861 174.348 176.300 -0.152 0.000 1.259 1204 M CA -1.017 54.142 55.300 -0.235 0.000 0.835 1204 M CB 1.686 33.844 32.600 -0.736 0.000 1.689 1204 M HN 0.093 nan 8.290 nan 0.000 0.470 1205 L N 2.241 123.371 121.223 -0.155 0.000 2.349 1205 L HA 0.521 4.861 4.340 0.000 0.000 0.278 1205 L C -1.650 175.192 176.870 -0.047 0.000 0.996 1205 L CA -0.759 54.038 54.840 -0.072 0.000 0.825 1205 L CB 1.780 43.809 42.059 -0.049 0.000 1.243 1205 L HN 0.702 nan 8.230 nan 0.000 0.412 1206 Y N 2.704 122.925 120.300 -0.132 0.000 2.313 1206 Y HA 0.366 4.916 4.550 0.000 0.000 0.332 1206 Y C 0.062 175.920 175.900 -0.071 0.000 1.071 1206 Y CA -0.045 57.990 58.100 -0.108 0.000 1.169 1206 Y CB 1.743 40.145 38.460 -0.097 0.000 1.192 1206 Y HN 0.455 nan 8.280 nan 0.000 0.487 1207 S N 5.076 120.430 115.700 -0.578 0.000 2.664 1207 S HA 0.543 5.013 4.470 0.000 0.000 0.262 1207 S C -0.030 174.235 174.600 -0.558 0.000 1.229 1207 S CA -0.298 57.656 58.200 -0.410 0.000 1.151 1207 S CB -0.381 62.686 63.200 -0.221 0.000 1.054 1207 S HN 1.128 nan 8.310 nan 0.000 0.483 1208 G N 3.745 112.246 108.800 -0.498 0.000 2.588 1208 G HA2 0.421 4.381 3.960 0.000 0.000 0.278 1208 G HA3 0.421 4.381 3.960 0.000 0.000 0.278 1208 G C -1.477 173.335 174.900 -0.147 0.000 1.307 1208 G CA -1.000 43.910 45.100 -0.317 0.000 1.016 1208 G HN 0.512 nan 8.290 nan 0.000 0.503 1209 P HA 0.022 nan 4.420 nan 0.000 0.245 1209 P C 0.356 177.643 177.300 -0.022 0.000 1.199 1209 P CA 0.496 63.570 63.100 -0.043 0.000 0.807 1209 P CB 0.515 32.200 31.700 -0.024 0.000 1.002 1210 N N -0.022 118.672 118.700 -0.010 0.000 2.558 1210 N HA 0.240 4.981 4.740 0.000 0.000 0.281 1210 N C -0.494 175.017 175.510 0.001 0.000 1.219 1210 N CA -0.097 52.953 53.050 0.000 0.000 0.942 1210 N CB 0.232 38.725 38.487 0.011 0.000 1.241 1210 N HN -0.042 nan 8.380 nan 0.000 0.511 1211 S N -1.387 114.307 115.700 -0.010 0.000 2.675 1211 S HA 0.089 4.560 4.470 0.000 0.000 0.297 1211 S C 0.196 174.784 174.600 -0.019 0.000 1.035 1211 S CA -0.601 57.594 58.200 -0.008 0.000 0.852 1211 S CB 0.800 64.004 63.200 0.005 0.000 1.051 1211 S HN 0.075 nan 8.310 nan 0.000 0.451 1212 T N 3.303 117.848 114.554 -0.015 0.000 3.057 1212 T HA 0.275 4.626 4.350 0.000 0.000 0.254 1212 T C 0.494 175.183 174.700 -0.018 0.000 1.094 1212 T CA 0.446 62.535 62.100 -0.019 0.000 1.088 1212 T CB -0.260 68.600 68.868 -0.014 0.000 0.934 1212 T HN 0.474 nan 8.240 nan 0.000 0.497 1213 L N 3.948 125.164 121.223 -0.011 0.000 2.290 1213 L HA 0.355 4.695 4.340 0.000 0.000 0.284 1213 L C -1.994 174.873 176.870 -0.005 0.000 1.078 1213 L CA -2.004 52.833 54.840 -0.006 0.000 0.815 1213 L CB 0.330 42.389 42.059 0.001 0.000 1.162 1213 L HN -0.024 nan 8.230 nan 0.000 0.435 1214 P HA 0.263 nan 4.420 nan 0.000 0.279 1214 P C -0.972 176.340 177.300 0.019 0.000 1.252 1214 P CA -0.403 62.693 63.100 -0.007 0.000 0.811 1214 P CB 2.060 33.747 31.700 -0.023 0.000 1.035 1215 V N 2.588 122.534 119.914 0.055 0.000 2.495 1215 V HA 0.371 4.491 4.120 0.000 0.000 0.298 1215 V C 0.754 176.852 176.094 0.006 0.000 1.031 1215 V CA -0.830 61.494 62.300 0.040 0.000 0.871 1215 V CB 1.486 33.351 31.823 0.070 0.000 0.988 1215 V HN 0.568 nan 8.190 nan 0.000 0.432 1216 R N 3.283 123.756 120.500 -0.045 0.000 2.390 1216 R HA 0.675 5.015 4.340 0.000 0.000 0.291 1216 R C -1.375 174.800 176.300 -0.209 0.000 1.070 1216 R CA -0.109 55.929 56.100 -0.102 0.000 1.014 1216 R CB 1.179 31.426 30.300 -0.088 0.000 1.007 1216 R HN 0.543 nan 8.270 nan 0.000 0.466 1217 V N 4.224 123.987 119.914 -0.251 0.000 2.808 1217 V HA 0.247 4.367 4.120 0.000 0.000 0.308 1217 V C -1.017 174.913 176.094 -0.274 0.000 1.099 1217 V CA -0.976 61.143 62.300 -0.301 0.000 0.920 1217 V CB 2.008 33.730 31.823 -0.168 0.000 1.014 1217 V HN 0.816 nan 8.190 nan 0.000 0.425 1218 H N 2.696 121.775 119.070 0.015 0.000 2.690 1218 H HA 0.396 4.952 4.556 0.000 0.000 0.289 1218 H C 0.708 176.074 175.328 0.063 0.000 1.089 1218 H CA -0.162 55.911 56.048 0.042 0.000 1.299 1218 H CB 1.318 31.095 29.762 0.025 0.000 1.405 1218 H HN 0.867 nan 8.280 nan 0.000 0.463 1219 G N 1.994 110.931 108.800 0.228 0.000 2.391 1219 G HA2 0.226 4.186 3.960 0.000 0.000 0.234 1219 G HA3 0.226 4.186 3.960 0.000 0.000 0.234 1219 G C 0.312 175.311 174.900 0.165 0.000 1.284 1219 G CA -0.112 45.123 45.100 0.225 0.000 0.873 1219 G HN 0.789 nan 8.290 nan 0.000 0.549 1220 A N 1.869 124.759 122.820 0.117 0.000 2.462 1220 A HA 0.508 4.828 4.320 0.000 0.000 0.243 1220 A C -0.361 177.284 177.584 0.103 0.000 1.076 1220 A CA -0.290 51.796 52.037 0.080 0.000 0.773 1220 A CB 0.318 19.336 19.000 0.030 0.000 1.010 1220 A HN 0.816 nan 8.150 nan 0.000 0.493 1221 F N 2.861 122.768 119.950 -0.072 0.000 2.422 1221 F HA 0.580 5.107 4.527 0.000 0.000 0.333 1221 F C -0.208 175.570 175.800 -0.036 0.000 1.095 1221 F CA -0.582 57.369 58.000 -0.082 0.000 1.038 1221 F CB 1.624 40.518 39.000 -0.177 0.000 1.156 1221 F HN 0.489 nan 8.300 nan 0.000 0.483 1222 V N 7.024 126.308 119.914 -1.050 0.000 2.733 1222 V HA 0.534 4.654 4.120 0.000 0.000 0.306 1222 V C -0.930 174.582 176.094 -0.971 0.000 1.084 1222 V CA -0.813 61.051 62.300 -0.727 0.000 0.905 1222 V CB 1.855 33.502 31.823 -0.294 0.000 1.010 1222 V HN 0.876 nan 8.190 nan 0.000 0.424 1223 R N 4.056 124.228 120.500 -0.548 0.000 2.490 1223 R HA 0.254 4.594 4.340 0.000 0.000 0.280 1223 R C 0.453 176.680 176.300 -0.123 0.000 1.077 1223 R CA -0.428 55.517 56.100 -0.258 0.000 1.065 1223 R CB 0.613 30.908 30.300 -0.009 0.000 1.003 1223 R HN 0.760 nan 8.270 nan 0.000 0.470 1224 D N 1.512 121.881 120.400 -0.051 0.000 2.158 1224 D HA -0.205 4.435 4.640 0.000 0.000 0.197 1224 D C 1.728 178.125 176.300 0.163 0.000 0.995 1224 D CA 1.539 55.560 54.000 0.035 0.000 0.846 1224 D CB 0.134 40.971 40.800 0.061 0.000 0.941 1224 D HN 0.458 nan 8.370 nan 0.000 0.456 1225 Q N 0.949 120.792 119.800 0.072 0.000 2.170 1225 Q HA -0.137 4.203 4.340 0.000 0.000 0.203 1225 Q C 1.645 177.704 176.000 0.098 0.000 0.976 1225 Q CA 1.420 57.251 55.803 0.048 0.000 0.858 1225 Q CB -0.129 28.598 28.738 -0.019 0.000 0.907 1225 Q HN 0.365 nan 8.270 nan 0.000 0.433 1226 E N -1.142 119.092 120.200 0.057 0.000 2.204 1226 E HA -0.106 4.245 4.350 0.000 0.000 0.194 1226 E C 1.819 178.459 176.600 0.068 0.000 0.989 1226 E CA 1.075 57.510 56.400 0.058 0.000 0.824 1226 E CB 0.151 29.866 29.700 0.026 0.000 0.756 1226 E HN 0.198 nan 8.360 nan 0.000 0.477 1227 V N 0.637 120.573 119.914 0.037 0.000 2.453 1227 V HA -0.223 3.897 4.120 0.000 0.000 0.247 1227 V C 1.699 177.738 176.094 -0.093 0.000 1.048 1227 V CA 1.854 64.126 62.300 -0.046 0.000 1.049 1227 V CB -0.533 31.187 31.823 -0.173 0.000 0.672 1227 V HN 0.254 nan 8.190 nan 0.000 0.457 1228 H N 0.518 119.538 119.070 -0.083 0.000 2.326 1228 H HA 0.018 4.574 4.556 0.000 0.000 0.301 1228 H C 2.302 177.616 175.328 -0.023 0.000 1.081 1228 H CA 1.715 57.721 56.048 -0.070 0.000 1.334 1228 H CB -0.501 29.227 29.762 -0.057 0.000 1.385 1228 H HN 0.412 nan 8.280 nan 0.000 0.504 1229 A N 0.328 123.224 122.820 0.126 0.000 1.865 1229 A HA -0.169 4.151 4.320 0.000 0.000 0.217 1229 A C 2.599 180.222 177.584 0.064 0.000 1.191 1229 A CA 1.935 54.020 52.037 0.080 0.000 0.623 1229 A CB -0.986 18.057 19.000 0.071 0.000 0.826 1229 A HN 0.251 nan 8.150 nan 0.000 0.444 1230 V N -0.488 119.475 119.914 0.081 0.000 2.343 1230 V HA -0.227 3.893 4.120 0.000 0.000 0.247 1230 V C 2.580 178.758 176.094 0.140 0.000 1.051 1230 V CA 1.956 64.309 62.300 0.088 0.000 1.036 1230 V CB -0.676 31.232 31.823 0.141 0.000 0.654 1230 V HN 0.373 nan 8.190 nan 0.000 0.451 1231 V N -0.683 119.295 119.914 0.106 0.000 2.343 1231 V HA -0.260 3.860 4.120 0.000 0.000 0.247 1231 V C 2.599 178.774 176.094 0.134 0.000 1.051 1231 V CA 1.783 64.157 62.300 0.125 0.000 1.036 1231 V CB -0.585 31.209 31.823 -0.047 0.000 0.654 1231 V HN 0.512 nan 8.190 nan 0.000 0.451 1232 Q N -0.379 119.467 119.800 0.077 0.000 2.084 1232 Q HA -0.258 4.082 4.340 0.000 0.000 0.202 1232 Q C 2.068 178.097 176.000 0.047 0.000 0.978 1232 Q CA 2.204 58.045 55.803 0.063 0.000 0.844 1232 Q CB -0.510 28.258 28.738 0.049 0.000 0.898 1232 Q HN 0.761 nan 8.270 nan 0.000 0.426 1233 D N -0.942 119.463 120.400 0.010 0.000 2.123 1233 D HA -0.177 4.463 4.640 0.000 0.000 0.196 1233 D C 1.544 177.768 176.300 -0.127 0.000 0.992 1233 D CA 1.151 55.094 54.000 -0.095 0.000 0.833 1233 D CB -0.117 40.575 40.800 -0.180 0.000 0.954 1233 D HN 0.257 nan 8.370 nan 0.000 0.455 1234 W N 0.584 121.894 121.300 0.016 0.000 2.436 1234 W HA 0.055 4.715 4.660 0.000 0.000 0.284 1234 W C 2.296 178.846 176.519 0.053 0.000 1.225 1234 W CA 0.478 57.857 57.345 0.056 0.000 1.271 1234 W CB 0.132 29.660 29.460 0.113 0.000 1.114 1234 W HN -0.086 nan 8.180 nan 0.000 0.559 1235 K N -0.189 120.367 120.400 0.260 0.000 2.217 1235 K HA -0.051 4.269 4.320 0.000 0.000 0.202 1235 K C 2.103 178.762 176.600 0.099 0.000 1.051 1235 K CA 1.090 57.477 56.287 0.167 0.000 0.952 1235 K CB -0.344 32.227 32.500 0.118 0.000 0.736 1235 K HN 0.069 nan 8.250 nan 0.000 0.453 1236 A N 1.418 124.274 122.820 0.060 0.000 2.067 1236 A HA -0.115 4.205 4.320 0.000 0.000 0.219 1236 A C 1.808 179.401 177.584 0.014 0.000 1.158 1236 A CA 0.996 53.043 52.037 0.018 0.000 0.661 1236 A CB -0.206 18.784 19.000 -0.017 0.000 0.801 1236 A HN 0.192 nan 8.150 nan 0.000 0.452 1237 R N -1.061 119.460 120.500 0.035 0.000 2.275 1237 R HA 0.289 4.629 4.340 0.000 0.000 0.199 1237 R C 0.767 177.110 176.300 0.072 0.000 0.989 1237 R CA 0.540 56.663 56.100 0.039 0.000 1.016 1237 R CB 0.044 30.368 30.300 0.039 0.000 0.918 1237 R HN 0.546 nan 8.270 nan 0.000 0.473 1238 G N 0.749 109.599 108.800 0.083 0.000 2.361 1238 G HA2 0.002 3.962 3.960 0.000 0.000 0.305 1238 G HA3 0.002 3.962 3.960 0.000 0.000 0.305 1238 G C -1.585 173.343 174.900 0.046 0.000 1.367 1238 G CA -1.207 43.923 45.100 0.050 0.000 0.951 1238 G HN 0.168 nan 8.290 nan 0.000 0.615 1239 R N 0.120 120.614 120.500 -0.009 0.000 2.643 1239 R HA 0.759 5.099 4.340 0.000 0.000 0.272 1239 R C -2.459 173.772 176.300 -0.114 0.000 0.995 1239 R CA -1.684 54.385 56.100 -0.051 0.000 1.032 1239 R CB 1.562 31.812 30.300 -0.084 0.000 1.126 1239 R HN 0.451 nan 8.270 nan 0.000 0.505 1240 P HA -0.033 nan 4.420 nan 0.000 0.271 1240 P C -1.043 176.008 177.300 -0.415 0.000 1.216 1240 P CA -0.250 62.701 63.100 -0.249 0.000 0.776 1240 P CB 0.973 32.565 31.700 -0.181 0.000 0.881 1241 Q N 3.155 122.821 119.800 -0.223 0.000 2.673 1241 Q HA 0.197 4.537 4.340 0.000 0.000 0.224 1241 Q C -0.703 175.262 176.000 -0.058 0.000 1.226 1241 Q CA -0.510 55.194 55.803 -0.164 0.000 1.019 1241 Q CB -1.056 27.634 28.738 -0.080 0.000 1.312 1241 Q HN 0.332 nan 8.270 nan 0.000 0.566 1242 Y N 0.648 120.926 120.300 -0.037 0.000 2.709 1242 Y HA 0.083 4.633 4.550 0.000 0.000 0.348 1242 Y C 0.386 176.243 175.900 -0.071 0.000 1.267 1242 Y CA -0.653 57.410 58.100 -0.062 0.000 1.486 1242 Y CB 0.649 39.074 38.460 -0.058 0.000 1.356 1242 Y HN 0.152 nan 8.280 nan 0.000 0.639 1243 V N 2.667 122.620 119.914 0.065 0.000 2.513 1243 V HA 0.125 4.245 4.120 0.000 0.000 0.299 1243 V C -0.370 175.680 176.094 -0.074 0.000 1.035 1243 V CA -0.931 61.353 62.300 -0.026 0.000 0.889 1243 V CB 1.605 33.350 31.823 -0.130 0.000 0.988 1243 V HN 0.667 nan 8.190 nan 0.000 0.440 1244 D N 2.589 122.983 120.400 -0.009 0.000 2.339 1244 D HA 0.489 5.129 4.640 0.000 0.000 0.245 1244 D C 1.184 177.472 176.300 -0.019 0.000 1.115 1244 D CA 1.283 55.276 54.000 -0.011 0.000 0.917 1244 D CB 1.477 42.297 40.800 0.033 0.000 1.192 1244 D HN 0.872 nan 8.370 nan 0.000 0.428 1245 G N 0.876 109.661 108.800 -0.026 0.000 2.304 1245 G HA2 -0.363 3.597 3.960 0.000 0.000 0.252 1245 G HA3 -0.363 3.597 3.960 0.000 0.000 0.252 1245 G C 1.409 176.289 174.900 -0.033 0.000 1.014 1245 G CA 0.429 45.540 45.100 0.017 0.000 0.619 1245 G HN 0.540 nan 8.290 nan 0.000 0.525 1246 I N 0.747 121.138 120.570 -0.297 0.000 2.181 1246 I HA -0.245 3.925 4.170 0.000 0.000 0.247 1246 I C 2.788 178.816 176.117 -0.148 0.000 1.081 1246 I CA 2.311 63.315 61.300 -0.495 0.000 1.340 1246 I CB -0.479 37.025 38.000 -0.827 0.000 1.036 1246 I HN 0.337 nan 8.210 nan 0.000 0.417 1247 T N -0.465 114.009 114.554 -0.134 0.000 2.978 1247 T HA -0.047 4.303 4.350 0.000 0.000 0.262 1247 T C 1.959 176.647 174.700 -0.020 0.000 1.063 1247 T CA 1.345 63.402 62.100 -0.071 0.000 1.140 1247 T CB 0.050 68.861 68.868 -0.094 0.000 0.886 1247 T HN 0.523 nan 8.240 nan 0.000 0.470 1248 S N 0.739 116.434 115.700 -0.008 0.000 2.370 1248 S HA 0.442 4.912 4.470 0.000 0.000 0.214 1248 S C 0.873 175.499 174.600 0.043 0.000 1.033 1248 S CA 0.675 58.884 58.200 0.015 0.000 0.941 1248 S CB -0.454 62.754 63.200 0.013 0.000 0.886 1248 S HN 0.690 nan 8.310 nan 0.000 0.521 1249 D N 0.000 120.441 120.400 0.069 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