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_F DATA FIRST_RESID 840 DATA SEQUENCE LPSLDLLTPP XXXXXXXXTF ALEQMARLVE ARLADFRIKA DVVNYSPGPV DATA SEQUENCE ITRFELNLAP XXXXXXXXXX XRDLARSLST 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 0.000 176.695 176.870 -0.291 0.000 1.165 840 L CA 0.000 54.727 54.840 -0.189 0.000 0.813 840 L CB 0.000 41.894 42.059 -0.275 0.000 0.961 841 P HA 0.083 nan 4.420 nan 0.000 0.271 841 P C -0.140 177.047 177.300 -0.189 0.000 1.218 841 P CA 0.455 63.289 63.100 -0.442 0.000 0.780 841 P CB 1.364 32.671 31.700 -0.656 0.000 0.901 842 S N 0.840 116.509 115.700 -0.053 0.000 2.585 842 S HA 0.130 4.600 4.470 -0.000 0.000 0.273 842 S C 1.465 176.234 174.600 0.282 0.000 1.339 842 S CA -0.634 57.626 58.200 0.100 0.000 1.028 842 S CB -0.068 63.158 63.200 0.043 0.000 0.906 842 S HN 0.391 nan 8.310 nan 0.000 0.528 843 L N 2.195 123.572 121.223 0.257 0.000 2.395 843 L HA -0.003 4.337 4.340 -0.000 0.000 0.218 843 L C 1.551 178.480 176.870 0.099 0.000 1.130 843 L CA 0.683 55.626 54.840 0.173 0.000 0.826 843 L CB -0.431 41.658 42.059 0.050 0.000 0.941 843 L HN 0.723 nan 8.230 nan 0.000 0.451 844 D N -0.260 120.193 120.400 0.088 0.000 2.378 844 D HA -0.150 4.490 4.640 -0.000 0.000 0.227 844 D C 1.857 178.196 176.300 0.065 0.000 1.012 844 D CA 0.594 54.627 54.000 0.056 0.000 0.905 844 D CB -0.324 40.499 40.800 0.037 0.000 0.895 844 D HN 0.296 nan 8.370 nan 0.000 0.532 845 L N -0.704 120.579 121.223 0.102 0.000 2.552 845 L HA 0.131 4.471 4.340 -0.000 0.000 0.227 845 L C 0.629 177.556 176.870 0.095 0.000 1.146 845 L CA 0.328 55.227 54.840 0.098 0.000 0.858 845 L CB -0.130 42.006 42.059 0.127 0.000 0.969 845 L HN 0.012 nan 8.230 nan 0.000 0.451 846 L N -0.994 120.281 121.223 0.086 0.000 2.334 846 L HA 0.325 4.665 4.340 -0.000 0.000 0.273 846 L C 0.536 177.443 176.870 0.062 0.000 1.013 846 L CA -0.599 54.278 54.840 0.063 0.000 0.816 846 L CB 1.834 43.907 42.059 0.022 0.000 1.278 846 L HN -0.135 nan 8.230 nan 0.000 0.431 847 T N 1.503 116.116 114.554 0.099 0.000 2.888 847 T HA 0.266 4.616 4.350 -0.000 0.000 0.301 847 T C -2.364 172.383 174.700 0.077 0.000 1.001 847 T CA -0.879 61.291 62.100 0.116 0.000 1.147 847 T CB 0.707 69.704 68.868 0.215 0.000 0.931 847 T HN 0.241 nan 8.240 nan 0.000 0.541 848 P HA 0.336 nan 4.420 nan 0.000 0.277 848 P C -2.093 174.949 177.300 -0.430 0.000 1.240 848 P CA -1.430 61.582 63.100 -0.147 0.000 0.798 848 P CB -0.022 31.616 31.700 -0.102 0.000 0.979 859 F N 3.698 123.668 119.950 0.034 0.000 2.084 859 F HA 0.479 5.005 4.527 -0.000 0.000 0.296 859 F C 2.606 178.409 175.800 0.005 0.000 1.111 859 F CA 1.754 59.770 58.000 0.027 0.000 1.224 859 F CB -0.812 38.201 39.000 0.021 0.000 0.991 859 F HN 0.310 nan 8.300 nan 0.000 0.471 860 A N 0.761 123.504 122.820 -0.128 0.000 2.032 860 A HA -0.153 4.167 4.320 -0.000 0.000 0.221 860 A C 2.311 179.757 177.584 -0.231 0.000 1.165 860 A CA 1.900 53.800 52.037 -0.229 0.000 0.645 860 A CB -1.164 17.808 19.000 -0.046 0.000 0.807 860 A HN 0.549 nan 8.150 nan 0.000 0.453 861 L N -1.504 119.600 121.223 -0.199 0.000 1.993 861 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 861 L C 2.593 179.290 176.870 -0.288 0.000 1.074 861 L CA 1.683 56.358 54.840 -0.274 0.000 0.746 861 L CB -0.705 41.021 42.059 -0.555 0.000 0.896 861 L HN 0.462 nan 8.230 nan 0.000 0.435 862 E N -0.454 119.607 120.200 -0.231 0.000 2.273 862 E HA -0.255 4.095 4.350 -0.000 0.000 0.198 862 E C 2.237 178.761 176.600 -0.126 0.000 1.002 862 E CA 0.925 57.303 56.400 -0.036 0.000 0.828 862 E CB 0.208 29.980 29.700 0.120 0.000 0.747 862 E HN 0.363 nan 8.360 nan 0.000 0.491 863 Q N -0.449 119.181 119.800 -0.285 0.000 2.123 863 Q HA -0.121 4.219 4.340 -0.000 0.000 0.199 863 Q C 2.014 177.876 176.000 -0.231 0.000 0.966 863 Q CA 0.994 56.614 55.803 -0.307 0.000 0.845 863 Q CB -0.137 28.290 28.738 -0.517 0.000 0.907 863 Q HN 0.327 nan 8.270 nan 0.000 0.439 864 M N 0.241 119.694 119.600 -0.244 0.000 2.254 864 M HA 0.040 4.520 4.480 -0.000 0.000 0.265 864 M C 1.773 177.821 176.300 -0.419 0.000 1.066 864 M CA 1.357 56.486 55.300 -0.285 0.000 1.123 864 M CB -0.359 32.094 32.600 -0.245 0.000 1.388 864 M HN 0.085 nan 8.290 nan 0.000 0.425 865 A N -0.378 122.230 122.820 -0.353 0.000 1.968 865 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 865 A C 2.338 179.827 177.584 -0.157 0.000 1.169 865 A CA 1.539 53.395 52.037 -0.301 0.000 0.638 865 A CB -0.622 18.444 19.000 0.109 0.000 0.812 865 A HN 0.559 nan 8.150 nan 0.000 0.446 866 R N -0.555 119.877 120.500 -0.113 0.000 2.115 866 R HA 0.087 4.427 4.340 -0.000 0.000 0.226 866 R C 1.802 178.050 176.300 -0.087 0.000 1.100 866 R CA 0.913 56.970 56.100 -0.071 0.000 0.980 866 R CB -0.243 30.025 30.300 -0.054 0.000 0.875 866 R HN 0.531 nan 8.270 nan 0.000 0.445 867 L N -0.427 120.720 121.223 -0.126 0.000 2.095 867 L HA -0.089 4.251 4.340 -0.000 0.000 0.204 867 L C 2.236 179.039 176.870 -0.112 0.000 1.080 867 L CA 0.605 55.380 54.840 -0.107 0.000 0.759 867 L CB -0.257 41.730 42.059 -0.120 0.000 0.914 867 L HN 0.042 nan 8.230 nan 0.000 0.439 868 V N 0.164 119.968 119.914 -0.183 0.000 2.343 868 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 868 V C 2.440 178.471 176.094 -0.105 0.000 1.051 868 V CA 2.055 64.246 62.300 -0.183 0.000 1.036 868 V CB -0.426 31.202 31.823 -0.325 0.000 0.654 868 V HN 0.495 nan 8.190 nan 0.000 0.451 869 E N -0.144 120.001 120.200 -0.091 0.000 2.204 869 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 869 E C 2.167 178.757 176.600 -0.016 0.000 0.989 869 E CA 1.074 57.448 56.400 -0.044 0.000 0.824 869 E CB -0.132 29.548 29.700 -0.033 0.000 0.756 869 E HN 0.598 nan 8.360 nan 0.000 0.477 870 A N 0.946 123.754 122.820 -0.021 0.000 1.898 870 A HA -0.068 4.252 4.320 -0.000 0.000 0.214 870 A C 2.076 179.682 177.584 0.036 0.000 1.183 870 A CA 0.654 52.691 52.037 0.000 0.000 0.622 870 A CB -0.153 18.837 19.000 -0.015 0.000 0.824 870 A HN 0.062 nan 8.150 nan 0.000 0.444 871 R N -0.150 120.374 120.500 0.040 0.000 2.090 871 R HA 0.062 4.402 4.340 -0.000 0.000 0.228 871 R C 2.025 178.461 176.300 0.228 0.000 1.110 871 R CA 0.932 57.109 56.100 0.127 0.000 0.973 871 R CB -1.059 29.290 30.300 0.080 0.000 0.869 871 R HN 0.557 nan 8.270 nan 0.000 0.440 872 L N 0.273 121.547 121.223 0.084 0.000 2.027 872 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 872 L C 2.480 179.437 176.870 0.145 0.000 1.074 872 L CA 1.412 56.277 54.840 0.042 0.000 0.745 872 L CB -0.593 41.450 42.059 -0.026 0.000 0.898 872 L HN 0.133 nan 8.230 nan 0.000 0.433 873 A N -0.822 122.063 122.820 0.107 0.000 2.121 873 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 873 A C 1.889 179.549 177.584 0.127 0.000 1.154 873 A CA 1.490 53.584 52.037 0.095 0.000 0.679 873 A CB -0.477 18.551 19.000 0.046 0.000 0.795 873 A HN 0.376 nan 8.150 nan 0.000 0.458 874 D N -1.323 119.183 120.400 0.176 0.000 2.265 874 D HA -0.045 4.595 4.640 -0.000 0.000 0.208 874 D C 0.246 176.519 176.300 -0.045 0.000 0.977 874 D CA 0.761 54.792 54.000 0.052 0.000 0.871 874 D CB -0.055 40.754 40.800 0.015 0.000 0.925 874 D HN 0.332 nan 8.370 nan 0.000 0.485 875 F N -1.011 118.931 119.950 -0.013 0.000 2.656 875 F HA 0.433 4.960 4.527 -0.000 0.000 0.394 875 F C 1.191 176.986 175.800 -0.008 0.000 1.168 875 F CA -1.108 56.886 58.000 -0.010 0.000 1.135 875 F CB 0.071 39.065 39.000 -0.009 0.000 1.480 875 F HN -0.495 nan 8.300 nan 0.000 0.500 876 R N 1.126 121.762 120.500 0.226 0.000 3.907 876 R HA 0.383 4.723 4.340 -0.000 0.000 0.241 876 R C -1.457 174.897 176.300 0.091 0.000 1.784 876 R CA 0.332 56.501 56.100 0.114 0.000 1.509 876 R CB -1.593 28.756 30.300 0.082 0.000 1.275 876 R HN 0.507 nan 8.270 nan 0.000 0.642 877 I N 1.058 121.690 120.570 0.104 0.000 2.466 877 I HA 0.249 4.419 4.170 -0.000 0.000 0.279 877 I C -0.299 175.842 176.117 0.041 0.000 1.033 877 I CA -0.774 60.554 61.300 0.045 0.000 1.123 877 I CB 1.514 39.508 38.000 -0.009 0.000 1.237 877 I HN -0.031 nan 8.210 nan 0.000 0.460 878 K N 5.961 126.378 120.400 0.027 0.000 2.240 878 K HA 0.829 5.149 4.320 -0.000 0.000 0.271 878 K C -1.204 175.400 176.600 0.007 0.000 1.018 878 K CA -0.150 56.148 56.287 0.020 0.000 0.874 878 K CB 1.746 34.257 32.500 0.019 0.000 1.098 878 K HN 0.741 nan 8.250 nan 0.000 0.458 879 A N 3.927 126.747 122.820 -0.001 0.000 2.572 879 A HA 0.485 4.805 4.320 -0.000 0.000 0.295 879 A C -1.732 175.840 177.584 -0.021 0.000 1.072 879 A CA -0.882 51.148 52.037 -0.012 0.000 0.691 879 A CB 1.310 20.301 19.000 -0.015 0.000 1.291 879 A HN 0.673 nan 8.150 nan 0.000 0.404 880 D N 1.004 121.381 120.400 -0.038 0.000 2.308 880 D HA 0.435 5.075 4.640 -0.000 0.000 0.242 880 D C -0.473 175.786 176.300 -0.067 0.000 1.059 880 D CA -0.128 53.843 54.000 -0.049 0.000 0.830 880 D CB 1.905 42.668 40.800 -0.062 0.000 1.161 880 D HN 0.150 nan 8.370 nan 0.000 0.494 881 V N 3.158 123.060 119.914 -0.020 0.000 2.287 881 V HA -0.003 4.117 4.120 -0.000 0.000 0.246 881 V C 1.774 177.862 176.094 -0.011 0.000 1.165 881 V CA -0.224 62.095 62.300 0.033 0.000 1.088 881 V CB 0.327 32.232 31.823 0.136 0.000 1.242 881 V HN 0.518 nan 8.190 nan 0.000 0.497 882 V N 1.360 121.185 119.914 -0.148 0.000 3.217 882 V HA 0.172 4.292 4.120 -0.000 0.000 0.264 882 V C 0.696 176.693 176.094 -0.162 0.000 1.135 882 V CA 1.161 63.336 62.300 -0.208 0.000 1.142 882 V CB -0.936 30.611 31.823 -0.461 0.000 0.754 882 V HN 0.879 nan 8.190 nan 0.000 0.484 883 N N -0.802 117.831 118.700 -0.111 0.000 3.348 883 N HA 0.439 5.179 4.740 -0.000 0.000 0.233 883 N C -2.234 173.230 175.510 -0.078 0.000 1.440 883 N CA -0.237 52.697 53.050 -0.194 0.000 0.887 883 N CB 1.858 40.284 38.487 -0.103 0.000 1.410 883 N HN 0.316 nan 8.380 nan 0.000 0.502 884 Y N -1.084 119.173 120.300 -0.072 0.000 2.521 884 Y HA 0.543 5.093 4.550 -0.000 0.000 0.328 884 Y C -1.671 174.101 175.900 -0.213 0.000 1.151 884 Y CA -1.141 56.809 58.100 -0.250 0.000 1.054 884 Y CB 0.725 38.864 38.460 -0.536 0.000 1.338 884 Y HN 0.365 nan 8.280 nan 0.000 0.453 885 S N 2.562 118.252 115.700 -0.017 0.000 2.561 885 S HA 0.753 5.223 4.470 -0.000 0.000 0.303 885 S C -3.249 171.323 174.600 -0.047 0.000 1.110 885 S CA -1.520 56.677 58.200 -0.004 0.000 1.034 885 S CB 2.446 65.641 63.200 -0.009 0.000 1.010 885 S HN 0.619 nan 8.310 nan 0.000 0.482 886 P HA 0.546 nan 4.420 nan 0.000 0.288 886 P C 0.022 177.322 177.300 0.000 0.000 1.267 886 P CA -0.055 63.025 63.100 -0.034 0.000 0.815 886 P CB 1.588 33.277 31.700 -0.019 0.000 0.989 887 G N 2.308 111.113 108.800 0.009 0.000 3.211 887 G HA2 0.507 4.467 3.960 -0.000 0.000 0.262 887 G HA3 0.507 4.467 3.960 -0.000 0.000 0.262 887 G C -2.222 172.690 174.900 0.020 0.000 1.352 887 G CA -1.262 43.862 45.100 0.039 0.000 1.004 887 G HN 0.119 nan 8.290 nan 0.000 0.559 888 P HA 0.060 nan 4.420 nan 0.000 0.219 888 P C 1.344 178.572 177.300 -0.120 0.000 1.150 888 P CA 0.630 63.719 63.100 -0.018 0.000 0.814 888 P CB 0.347 32.064 31.700 0.029 0.000 0.787 889 V N -1.950 117.819 119.914 -0.241 0.000 2.996 889 V HA 0.159 4.279 4.120 -0.000 0.000 0.235 889 V C 1.062 177.068 176.094 -0.148 0.000 1.205 889 V CA 0.497 62.595 62.300 -0.335 0.000 1.225 889 V CB -0.159 31.146 31.823 -0.863 0.000 0.995 889 V HN -0.080 nan 8.190 nan 0.000 0.484 890 I N -2.466 118.071 120.570 -0.055 0.000 3.445 890 I HA 0.799 4.969 4.170 -0.000 0.000 0.303 890 I C -0.528 175.600 176.117 0.018 0.000 1.129 890 I CA -0.559 60.754 61.300 0.022 0.000 0.989 890 I CB 1.772 39.823 38.000 0.084 0.000 1.314 890 I HN -0.147 nan 8.210 nan 0.000 0.488 891 T N 1.123 115.680 114.554 0.005 0.000 2.928 891 T HA 0.464 4.814 4.350 -0.000 0.000 0.296 891 T C -0.764 173.837 174.700 -0.165 0.000 1.000 891 T CA -0.520 61.505 62.100 -0.125 0.000 0.989 891 T CB 1.255 69.980 68.868 -0.239 0.000 1.005 891 T HN 0.743 nan 8.240 nan 0.000 0.442 892 R N 2.947 123.347 120.500 -0.167 0.000 2.221 892 R HA 0.484 4.824 4.340 -0.000 0.000 0.327 892 R C -1.326 174.862 176.300 -0.187 0.000 1.033 892 R CA -0.399 55.657 56.100 -0.073 0.000 0.887 892 R CB 0.252 30.555 30.300 0.005 0.000 1.057 892 R HN 0.446 nan 8.270 nan 0.000 0.455 893 F N 2.920 122.925 119.950 0.093 0.000 2.415 893 F HA 0.260 4.787 4.527 -0.000 0.000 0.348 893 F C 0.226 176.078 175.800 0.085 0.000 1.119 893 F CA -0.545 57.525 58.000 0.117 0.000 1.069 893 F CB 1.732 40.775 39.000 0.072 0.000 1.124 893 F HN 0.408 nan 8.300 nan 0.000 0.472 894 E N 5.176 125.506 120.200 0.216 0.000 2.081 894 E HA 0.386 4.736 4.350 -0.000 0.000 0.281 894 E C -0.863 175.760 176.600 0.038 0.000 0.986 894 E CA -0.384 56.102 56.400 0.143 0.000 0.796 894 E CB 1.207 31.006 29.700 0.165 0.000 1.085 894 E HN 0.494 nan 8.360 nan 0.000 0.398 895 L N 2.867 124.119 121.223 0.049 0.000 2.334 895 L HA 0.369 4.709 4.340 -0.000 0.000 0.275 895 L C 0.141 176.974 176.870 -0.062 0.000 1.036 895 L CA -0.970 53.859 54.840 -0.018 0.000 0.807 895 L CB 0.925 42.995 42.059 0.019 0.000 1.231 895 L HN 0.426 nan 8.230 nan 0.000 0.438 896 N N 2.925 121.554 118.700 -0.119 0.000 2.707 896 N HA 0.360 5.100 4.740 -0.000 0.000 0.235 896 N C -0.681 174.824 175.510 -0.009 0.000 1.028 896 N CA -0.410 52.594 53.050 -0.077 0.000 0.906 896 N CB 0.412 38.788 38.487 -0.186 0.000 1.131 896 N HN 0.485 nan 8.380 nan 0.000 0.509 897 L N 1.270 122.509 121.223 0.027 0.000 2.492 897 L HA 0.251 4.591 4.340 -0.000 0.000 0.280 897 L C 1.181 178.065 176.870 0.024 0.000 1.240 897 L CA -0.502 54.350 54.840 0.021 0.000 0.831 897 L CB 0.161 42.236 42.059 0.027 0.000 1.100 897 L HN 0.478 nan 8.230 nan 0.000 0.505 898 A N 2.259 125.089 122.820 0.017 0.000 2.287 898 A HA 0.584 4.904 4.320 -0.000 0.000 0.273 898 A C -1.754 175.843 177.584 0.022 0.000 1.091 898 A CA -1.119 50.929 52.037 0.018 0.000 0.817 898 A CB -0.619 18.390 19.000 0.015 0.000 1.069 898 A HN 0.651 nan 8.150 nan 0.000 0.492 912 D N 1.465 121.875 120.400 0.017 0.000 2.104 912 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 912 D C 1.824 178.155 176.300 0.051 0.000 0.994 912 D CA 1.346 55.381 54.000 0.058 0.000 0.830 912 D CB -0.081 40.779 40.800 0.100 0.000 0.959 912 D HN 0.136 nan 8.370 nan 0.000 0.452 913 L N 0.331 121.540 121.223 -0.023 0.000 2.027 913 L HA -0.137 4.203 4.340 -0.000 0.000 0.206 913 L C 2.240 179.100 176.870 -0.017 0.000 1.074 913 L CA 1.279 56.094 54.840 -0.042 0.000 0.745 913 L CB -0.265 41.724 42.059 -0.117 0.000 0.898 913 L HN 0.004 nan 8.230 nan 0.000 0.433 914 A N -0.126 122.684 122.820 -0.017 0.000 1.978 914 A HA -0.290 4.030 4.320 -0.000 0.000 0.220 914 A C 2.358 179.941 177.584 -0.002 0.000 1.170 914 A CA 2.016 54.047 52.037 -0.011 0.000 0.636 914 A CB -0.606 18.393 19.000 -0.003 0.000 0.810 914 A HN 0.509 nan 8.150 nan 0.000 0.448 915 R N -0.436 120.071 120.500 0.011 0.000 2.153 915 R HA -0.010 4.330 4.340 -0.000 0.000 0.218 915 R C 1.843 178.155 176.300 0.020 0.000 1.072 915 R CA 1.210 57.320 56.100 0.016 0.000 0.990 915 R CB -0.228 30.088 30.300 0.025 0.000 0.889 915 R HN 0.419 nan 8.270 nan 0.000 0.452 916 S N 0.247 115.969 115.700 0.036 0.000 2.493 916 S HA -0.054 4.416 4.470 -0.000 0.000 0.243 916 S C 0.170 174.775 174.600 0.009 0.000 0.991 916 S CA 0.787 59.014 58.200 0.045 0.000 0.957 916 S CB -0.091 63.164 63.200 0.091 0.000 0.756 916 S HN 0.102 nan 8.310 nan 0.000 0.521 917 L N -1.354 119.864 121.223 -0.008 0.000 2.170 917 L HA 0.520 4.859 4.340 -0.000 0.000 0.247 917 L C 0.297 177.155 176.870 -0.020 0.000 1.078 917 L CA -0.446 54.378 54.840 -0.027 0.000 0.936 917 L CB 0.694 42.721 42.059 -0.053 0.000 1.528 917 L HN -0.198 nan 8.230 nan 0.000 0.455 918 S N -0.088 115.597 115.700 -0.025 0.000 2.790 918 S HA 0.615 5.085 4.470 -0.000 0.000 0.202 918 S C -0.811 173.780 174.600 -0.015 0.000 1.383 918 S CA -0.257 57.932 58.200 -0.017 0.000 1.026 918 S CB -0.910 62.280 63.200 -0.017 0.000 1.253 918 S HN 0.701 nan 8.310 nan 0.000 0.489 919 T N -0.255 114.292 114.554 -0.011 0.000 2.933 919 T HA 0.379 4.729 4.350 -0.000 0.000 0.305 919 T C 1.094 175.794 174.700 0.000 0.000 1.092 919 T CA -0.779 61.318 62.100 -0.006 0.000 1.008 919 T CB 1.098 69.963 68.868 -0.005 0.000 1.102 919 T HN 0.010 nan 8.240 nan 0.000 0.469 920 V N 1.047 120.963 119.914 0.003 0.000 2.380 920 V HA 0.190 4.310 4.120 -0.000 0.000 0.251 920 V C 1.431 177.532 176.094 0.011 0.000 1.063 920 V CA 2.235 64.540 62.300 0.007 0.000 1.055 920 V CB -1.239 30.589 31.823 0.008 0.000 0.657 920 V HN 1.309 nan 8.190 nan 0.000 0.455 921 A N -1.880 120.948 122.820 0.014 0.000 2.586 921 A HA 0.680 5.000 4.320 -0.000 0.000 0.291 921 A C -1.522 176.074 177.584 0.020 0.000 1.062 921 A CA -0.388 51.658 52.037 0.016 0.000 0.666 921 A CB 1.586 20.599 19.000 0.023 0.000 1.281 921 A HN 0.016 nan 8.150 nan 0.000 0.421 922 V N 0.784 120.708 119.914 0.017 0.000 2.638 922 V HA 0.658 4.778 4.120 -0.000 0.000 0.306 922 V C -0.053 176.057 176.094 0.026 0.000 1.052 922 V CA -0.552 61.761 62.300 0.022 0.000 0.885 922 V CB 1.814 33.639 31.823 0.002 0.000 0.999 922 V HN 0.949 nan 8.190 nan 0.000 0.424 923 R N 3.245 123.770 120.500 0.042 0.000 2.295 923 R HA 0.654 4.994 4.340 -0.000 0.000 0.324 923 R C -1.349 174.975 176.300 0.039 0.000 0.968 923 R CA -0.396 55.727 56.100 0.039 0.000 0.837 923 R CB 1.589 31.918 30.300 0.048 0.000 1.133 923 R HN 0.542 nan 8.270 nan 0.000 0.450 924 V N 6.430 126.358 119.914 0.023 0.000 2.304 924 V HA 0.144 4.264 4.120 -0.000 0.000 0.262 924 V C -0.082 176.027 176.094 0.024 0.000 1.061 924 V CA -0.627 61.686 62.300 0.021 0.000 0.872 924 V CB 1.097 32.920 31.823 0.000 0.000 1.077 924 V HN 0.536 nan 8.190 nan 0.000 0.480 925 V N 4.655 124.591 119.914 0.037 0.000 2.439 925 V HA 0.091 4.211 4.120 -0.000 0.000 0.271 925 V C 1.472 177.585 176.094 0.032 0.000 1.040 925 V CA 0.121 62.441 62.300 0.032 0.000 1.002 925 V CB 0.998 32.845 31.823 0.040 0.000 1.000 925 V HN 0.995 nan 8.190 nan 0.000 0.477 926 E N 4.341 124.554 120.200 0.021 0.000 2.152 926 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 926 E C 0.535 177.149 176.600 0.023 0.000 0.983 926 E CA 0.809 57.221 56.400 0.019 0.000 0.818 926 E CB 0.562 30.268 29.700 0.010 0.000 0.758 926 E HN 0.508 nan 8.360 nan 0.000 0.467 927 V N 1.548 121.473 119.914 0.019 0.000 2.525 927 V HA 0.362 4.482 4.120 -0.000 0.000 0.299 927 V C -1.034 175.069 176.094 0.015 0.000 1.034 927 V CA -0.716 61.592 62.300 0.014 0.000 0.863 927 V CB 1.564 33.388 31.823 0.003 0.000 0.999 927 V HN 0.107 nan 8.190 nan 0.000 0.423 928 I N 9.718 130.298 120.570 0.017 0.000 2.307 928 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 928 I C -1.990 174.121 176.117 -0.010 0.000 1.021 928 I CA -1.963 59.346 61.300 0.015 0.000 1.224 928 I CB 1.919 39.943 38.000 0.039 0.000 1.376 928 I HN 0.493 nan 8.210 nan 0.000 0.470 929 P HA -0.035 nan 4.420 nan 0.000 0.258 929 P C 0.823 178.104 177.300 -0.032 0.000 1.172 929 P CA 0.828 63.917 63.100 -0.019 0.000 0.762 929 P CB 0.670 32.364 31.700 -0.011 0.000 0.764 930 G N 2.663 111.434 108.800 -0.048 0.000 2.195 930 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.246 930 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.246 930 G C -0.059 174.774 174.900 -0.113 0.000 0.984 930 G CA -0.035 45.026 45.100 -0.064 0.000 0.633 930 G HN 0.603 nan 8.290 nan 0.000 0.525 931 K N -0.027 120.287 120.400 -0.142 0.000 2.469 931 K HA 0.516 4.836 4.320 -0.000 0.000 0.254 931 K C -2.136 174.296 176.600 -0.281 0.000 0.939 931 K CA -1.516 54.596 56.287 -0.292 0.000 0.812 931 K CB 3.083 35.397 32.500 -0.312 0.000 1.301 931 K HN -0.068 nan 8.250 nan 0.000 0.433 932 P HA -0.029 nan 4.420 nan 0.000 0.249 932 P C -0.638 176.657 177.300 -0.008 0.000 1.229 932 P CA 0.387 63.368 63.100 -0.198 0.000 0.788 932 P CB 0.207 31.802 31.700 -0.177 0.000 1.072 933 Y N -0.562 119.745 120.300 0.011 0.000 2.326 933 Y HA 0.317 4.867 4.550 -0.000 0.000 0.324 933 Y C 1.137 177.049 175.900 0.020 0.000 1.291 933 Y CA -1.588 56.522 58.100 0.017 0.000 1.348 933 Y CB 0.920 39.393 38.460 0.022 0.000 1.294 933 Y HN -0.393 nan 8.280 nan 0.000 0.525 934 V N 1.118 121.155 119.914 0.205 0.000 2.472 934 V HA 0.441 4.561 4.120 -0.000 0.000 0.290 934 V C 0.351 176.517 176.094 0.120 0.000 1.037 934 V CA -0.675 61.695 62.300 0.117 0.000 0.908 934 V CB 1.349 33.217 31.823 0.075 0.000 0.985 934 V HN 0.912 nan 8.190 nan 0.000 0.454 935 G N 4.356 113.216 108.800 0.099 0.000 2.332 935 G HA2 0.614 4.574 3.960 -0.000 0.000 0.310 935 G HA3 0.614 4.574 3.960 -0.000 0.000 0.310 935 G C -0.963 173.999 174.900 0.103 0.000 1.123 935 G CA -0.455 44.709 45.100 0.107 0.000 0.873 935 G HN 0.589 nan 8.290 nan 0.000 0.460 936 L N 2.461 123.774 121.223 0.150 0.000 2.342 936 L HA 0.344 4.684 4.340 -0.000 0.000 0.276 936 L C -0.238 176.768 176.870 0.227 0.000 0.997 936 L CA -0.485 54.447 54.840 0.155 0.000 0.838 936 L CB 1.782 43.924 42.059 0.138 0.000 1.224 936 L HN 0.562 nan 8.230 nan 0.000 0.416 937 E N 5.077 125.370 120.200 0.156 0.000 2.174 937 E HA 0.534 4.884 4.350 -0.000 0.000 0.282 937 E C -1.087 175.608 176.600 0.159 0.000 0.992 937 E CA -0.419 56.077 56.400 0.160 0.000 0.803 937 E CB 1.949 31.714 29.700 0.110 0.000 1.090 937 E HN 0.418 nan 8.360 nan 0.000 0.396 938 L N 5.065 126.415 121.223 0.211 0.000 2.365 938 L HA 0.478 4.818 4.340 -0.000 0.000 0.273 938 L C -2.225 174.714 176.870 0.115 0.000 1.000 938 L CA -2.544 52.392 54.840 0.159 0.000 0.819 938 L CB 1.847 44.027 42.059 0.202 0.000 1.284 938 L HN 0.342 nan 8.230 nan 0.000 0.418 939 P HA 0.042 nan 4.420 nan 0.000 0.268 939 P C -1.100 176.213 177.300 0.022 0.000 1.205 939 P CA -0.113 63.004 63.100 0.029 0.000 0.771 939 P CB 0.608 32.316 31.700 0.014 0.000 0.858 940 N N 1.781 120.481 118.700 -0.001 0.000 2.525 940 N HA 0.064 4.804 4.740 -0.000 0.000 0.271 940 N C 1.311 176.814 175.510 -0.011 0.000 1.194 940 N CA -0.583 52.464 53.050 -0.005 0.000 0.964 940 N CB 0.852 39.327 38.487 -0.020 0.000 1.126 940 N HN 0.334 nan 8.380 nan 0.000 0.452 941 K N 1.029 121.425 120.400 -0.007 0.000 2.097 941 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 941 K C 0.513 177.105 176.600 -0.013 0.000 1.049 941 K CA 1.094 57.376 56.287 -0.009 0.000 0.933 941 K CB 0.076 32.573 32.500 -0.004 0.000 0.717 941 K HN 0.429 nan 8.250 nan 0.000 0.442 942 K N 1.638 122.030 120.400 -0.013 0.000 2.339 942 K HA 0.172 4.492 4.320 -0.000 0.000 0.264 942 K C -1.113 175.470 176.600 -0.028 0.000 0.986 942 K CA -0.580 55.697 56.287 -0.017 0.000 0.866 942 K CB 1.260 33.756 32.500 -0.007 0.000 1.103 942 K HN -0.116 nan 8.250 nan 0.000 0.441 943 R N 3.513 123.989 120.500 -0.040 0.000 2.346 943 R HA 0.165 4.505 4.340 -0.000 0.000 0.311 943 R C -0.759 175.508 176.300 -0.055 0.000 0.983 943 R CA -0.389 55.674 56.100 -0.062 0.000 0.880 943 R CB 1.069 31.322 30.300 -0.078 0.000 1.100 943 R HN 0.626 nan 8.270 nan 0.000 0.453 944 Q N 1.740 121.507 119.800 -0.055 0.000 2.241 944 Q HA 0.217 4.557 4.340 -0.000 0.000 0.254 944 Q C -0.625 175.355 176.000 -0.034 0.000 0.917 944 Q CA -0.431 55.362 55.803 -0.016 0.000 0.919 944 Q CB 2.156 30.901 28.738 0.011 0.000 1.237 944 Q HN 0.556 nan 8.270 nan 0.000 0.434 945 T N 1.614 116.161 114.554 -0.012 0.000 2.869 945 T HA 0.238 4.588 4.350 -0.000 0.000 0.295 945 T C -0.195 174.491 174.700 -0.023 0.000 0.987 945 T CA -0.497 61.525 62.100 -0.130 0.000 1.109 945 T CB 0.695 69.351 68.868 -0.355 0.000 0.932 945 T HN 0.241 nan 8.240 nan 0.000 0.518 946 V N 4.439 124.324 119.914 -0.048 0.000 2.364 946 V HA 0.280 4.399 4.120 -0.000 0.000 0.272 946 V C -0.739 175.371 176.094 0.027 0.000 1.036 946 V CA -0.812 61.535 62.300 0.078 0.000 0.880 946 V CB -0.145 31.735 31.823 0.096 0.000 0.991 946 V HN 0.719 nan 8.190 nan 0.000 0.460 947 Y N 3.665 124.004 120.300 0.066 0.000 2.313 947 Y HA 0.310 4.860 4.550 -0.000 0.000 0.332 947 Y C 1.046 176.947 175.900 0.001 0.000 1.071 947 Y CA -0.693 57.446 58.100 0.064 0.000 1.169 947 Y CB 1.141 39.627 38.460 0.043 0.000 1.192 947 Y HN 0.471 nan 8.280 nan 0.000 0.487 948 L N 2.711 123.984 121.223 0.082 0.000 1.997 948 L HA -0.307 4.033 4.340 -0.000 0.000 0.216 948 L C 2.602 179.416 176.870 -0.094 0.000 1.074 948 L CA 1.903 56.717 54.840 -0.044 0.000 0.763 948 L CB -0.174 41.827 42.059 -0.096 0.000 0.890 948 L HN 0.797 nan 8.230 nan 0.000 0.434 949 R N -0.064 120.406 120.500 -0.050 0.000 2.117 949 R HA -0.272 4.067 4.340 -0.000 0.000 0.243 949 R C 2.160 178.416 176.300 -0.074 0.000 1.143 949 R CA 2.081 58.121 56.100 -0.101 0.000 0.968 949 R CB -0.246 30.029 30.300 -0.042 0.000 0.863 949 R HN 0.499 nan 8.270 nan 0.000 0.444 950 E N -0.382 119.817 120.200 -0.002 0.000 2.150 950 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 950 E C 1.594 178.182 176.600 -0.020 0.000 0.985 950 E CA 1.307 57.707 56.400 -0.001 0.000 0.814 950 E CB 0.259 29.988 29.700 0.048 0.000 0.752 950 E HN 0.271 nan 8.360 nan 0.000 0.466 951 V N 0.928 120.814 119.914 -0.047 0.000 2.725 951 V HA -0.123 3.997 4.120 -0.000 0.000 0.247 951 V C 2.257 178.266 176.094 -0.141 0.000 1.058 951 V CA 0.752 63.012 62.300 -0.066 0.000 1.080 951 V CB -0.186 31.591 31.823 -0.076 0.000 0.713 951 V HN 0.306 nan 8.190 nan 0.000 0.465 952 L N 0.069 121.124 121.223 -0.279 0.000 2.217 952 L HA -0.105 4.235 4.340 -0.000 0.000 0.211 952 L C 2.222 179.035 176.870 -0.094 0.000 1.107 952 L CA 1.432 56.000 54.840 -0.453 0.000 0.783 952 L CB -0.351 41.341 42.059 -0.612 0.000 0.919 952 L HN 0.390 nan 8.230 nan 0.000 0.442 953 D N -0.127 120.238 120.400 -0.059 0.000 2.348 953 D HA -0.079 4.561 4.640 -0.000 0.000 0.211 953 D C 0.731 177.061 176.300 0.050 0.000 0.998 953 D CA -0.005 54.001 54.000 0.010 0.000 0.873 953 D CB 0.199 40.990 40.800 -0.015 0.000 0.925 953 D HN 0.217 nan 8.370 nan 0.000 0.524 954 N N -0.697 118.037 118.700 0.057 0.000 2.399 954 N HA 0.131 4.871 4.740 -0.000 0.000 0.250 954 N C 0.820 176.391 175.510 0.102 0.000 1.272 954 N CA 0.496 53.588 53.050 0.069 0.000 0.928 954 N CB 1.067 39.591 38.487 0.062 0.000 1.158 954 N HN -0.089 nan 8.380 nan 0.000 0.463 955 A N 1.421 124.283 122.820 0.070 0.000 1.970 955 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 955 A C 1.790 179.409 177.584 0.058 0.000 1.170 955 A CA 1.026 53.097 52.037 0.057 0.000 0.645 955 A CB -0.355 18.665 19.000 0.034 0.000 0.816 955 A HN 0.769 nan 8.150 nan 0.000 0.447 956 K N -1.687 118.755 120.400 0.069 0.000 2.152 956 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 956 K C 1.541 178.193 176.600 0.088 0.000 1.048 956 K CA 1.677 58.002 56.287 0.063 0.000 0.933 956 K CB -0.224 32.314 32.500 0.063 0.000 0.721 956 K HN 0.581 nan 8.250 nan 0.000 0.447 957 F N 0.568 120.515 119.950 -0.006 0.000 2.505 957 F HA 0.100 4.627 4.527 -0.000 0.000 0.289 957 F C 2.163 177.970 175.800 0.011 0.000 1.101 957 F CA 0.399 58.398 58.000 -0.002 0.000 1.446 957 F CB 0.227 39.223 39.000 -0.008 0.000 1.123 957 F HN -0.254 nan 8.300 nan 0.000 0.564 958 R N 0.331 120.865 120.500 0.057 0.000 2.090 958 R HA -0.102 4.238 4.340 -0.000 0.000 0.228 958 R C 1.635 177.888 176.300 -0.078 0.000 1.110 958 R CA 1.817 57.916 56.100 -0.002 0.000 0.973 958 R CB -0.242 30.105 30.300 0.079 0.000 0.869 958 R HN 0.225 nan 8.270 nan 0.000 0.440 959 D N 0.150 120.516 120.400 -0.057 0.000 2.120 959 D HA -0.118 4.522 4.640 -0.000 0.000 0.202 959 D C 0.369 176.616 176.300 -0.089 0.000 0.972 959 D CA 0.610 54.578 54.000 -0.053 0.000 0.837 959 D CB -0.569 40.216 40.800 -0.024 0.000 0.989 959 D HN 0.033 nan 8.370 nan 0.000 0.469 960 N N 1.975 120.600 118.700 -0.125 0.000 2.301 960 N HA -0.073 4.667 4.740 -0.000 0.000 0.267 960 N C -1.570 173.851 175.510 -0.148 0.000 1.304 960 N CA -0.445 52.524 53.050 -0.135 0.000 0.851 960 N CB 1.295 39.683 38.487 -0.165 0.000 1.070 960 N HN 0.041 nan 8.380 nan 0.000 0.483 961 P HA -0.055 nan 4.420 nan 0.000 0.229 961 P C 0.345 177.603 177.300 -0.070 0.000 1.160 961 P CA 0.282 63.342 63.100 -0.067 0.000 0.777 961 P CB 0.269 31.950 31.700 -0.031 0.000 0.814 962 S N 2.197 117.837 115.700 -0.099 0.000 2.516 962 S HA 0.137 4.607 4.470 -0.000 0.000 0.282 962 S C -1.139 173.376 174.600 -0.143 0.000 1.286 962 S CA -1.222 56.905 58.200 -0.122 0.000 1.066 962 S CB 0.268 63.374 63.200 -0.157 0.000 0.884 962 S HN 0.042 nan 8.310 nan 0.000 0.491 963 P HA 0.029 nan 4.420 nan 0.000 0.233 963 P C 0.472 177.695 177.300 -0.128 0.000 1.167 963 P CA 0.643 63.698 63.100 -0.076 0.000 0.770 963 P CB 0.069 31.779 31.700 0.017 0.000 0.837 964 L N -0.043 121.028 121.223 -0.253 0.000 2.912 964 L HA 0.195 4.535 4.340 -0.000 0.000 0.240 964 L C 0.260 177.049 176.870 -0.135 0.000 1.262 964 L CA -0.075 54.619 54.840 -0.242 0.000 1.058 964 L CB -0.470 41.304 42.059 -0.474 0.000 1.383 964 L HN -0.178 nan 8.230 nan 0.000 0.512 965 T N 1.446 115.955 114.554 -0.076 0.000 2.832 965 T HA 0.358 4.708 4.350 -0.000 0.000 0.296 965 T C 0.051 174.863 174.700 0.187 0.000 0.968 965 T CA -0.183 61.913 62.100 -0.007 0.000 1.107 965 T CB 1.724 70.496 68.868 -0.161 0.000 0.916 965 T HN 0.136 nan 8.240 nan 0.000 0.517 966 V N 1.122 121.135 119.914 0.165 0.000 2.709 966 V HA 0.713 4.833 4.120 -0.000 0.000 0.308 966 V C -0.281 175.874 176.094 0.102 0.000 1.062 966 V CA -1.088 61.306 62.300 0.156 0.000 0.901 966 V CB 1.594 33.455 31.823 0.063 0.000 1.003 966 V HN 0.573 nan 8.190 nan 0.000 0.425 967 V N 5.096 125.022 119.914 0.020 0.000 2.583 967 V HA 0.254 4.374 4.120 -0.000 0.000 0.287 967 V C 0.813 176.882 176.094 -0.041 0.000 1.051 967 V CA 0.083 62.351 62.300 -0.052 0.000 1.010 967 V CB 1.218 32.930 31.823 -0.184 0.000 0.988 967 V HN 0.873 nan 8.190 nan 0.000 0.478 968 L N 3.293 124.482 121.223 -0.057 0.000 2.500 968 L HA 0.579 4.919 4.340 -0.000 0.000 0.219 968 L C 1.101 177.964 176.870 -0.012 0.000 1.057 968 L CA 1.802 56.605 54.840 -0.062 0.000 0.854 968 L CB -0.205 41.746 42.059 -0.181 0.000 1.078 968 L HN 0.989 nan 8.230 nan 0.000 0.480 969 G N -1.053 107.737 108.800 -0.016 0.000 2.286 969 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.118 969 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.118 969 G C -0.894 174.019 174.900 0.021 0.000 1.267 969 G CA -0.686 44.430 45.100 0.026 0.000 1.171 969 G HN -0.070 nan 8.290 nan 0.000 0.465 970 K N 0.288 120.719 120.400 0.051 0.000 2.385 970 K HA 0.511 4.831 4.320 -0.000 0.000 0.248 970 K C -1.284 175.307 176.600 -0.015 0.000 0.955 970 K CA -0.841 55.475 56.287 0.049 0.000 0.816 970 K CB 2.453 35.021 32.500 0.113 0.000 1.250 970 K HN 0.496 nan 8.250 nan 0.000 0.434 971 D N 1.422 121.810 120.400 -0.020 0.000 2.360 971 D HA 0.031 4.671 4.640 -0.000 0.000 0.242 971 D C 1.346 177.621 176.300 -0.042 0.000 1.184 971 D CA -0.210 53.752 54.000 -0.064 0.000 0.930 971 D CB 0.783 41.570 40.800 -0.021 0.000 1.161 971 D HN 0.552 nan 8.370 nan 0.000 0.447 972 I N -0.491 120.030 120.570 -0.082 0.000 2.530 972 I HA -0.115 4.055 4.170 -0.000 0.000 0.257 972 I C 1.423 177.598 176.117 0.096 0.000 1.179 972 I CA 1.274 62.601 61.300 0.046 0.000 1.440 972 I CB -0.307 37.708 38.000 0.024 0.000 1.087 972 I HN 0.215 nan 8.210 nan 0.000 0.440 973 A N 0.987 123.836 122.820 0.048 0.000 2.345 973 A HA 0.516 4.836 4.320 -0.000 0.000 0.225 973 A C 1.760 179.374 177.584 0.050 0.000 1.243 973 A CA 0.413 52.475 52.037 0.042 0.000 0.875 973 A CB -0.664 18.350 19.000 0.023 0.000 0.929 973 A HN 0.828 nan 8.150 nan 0.000 0.502 974 G N -0.788 108.055 108.800 0.073 0.000 2.143 974 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.249 974 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.249 974 G C -0.123 174.808 174.900 0.051 0.000 0.981 974 G CA 0.259 45.402 45.100 0.073 0.000 0.665 974 G HN 0.531 nan 8.290 nan 0.000 0.528 975 E N 1.494 121.715 120.200 0.035 0.000 2.249 975 E HA 0.310 4.660 4.350 -0.000 0.000 0.280 975 E C -2.120 174.492 176.600 0.019 0.000 1.016 975 E CA -1.734 54.680 56.400 0.024 0.000 0.830 975 E CB 1.666 31.374 29.700 0.014 0.000 1.081 975 E HN 0.205 nan 8.360 nan 0.000 0.395 976 P HA -0.008 nan 4.420 nan 0.000 0.268 976 P C -0.503 176.797 177.300 0.001 0.000 1.204 976 P CA 0.036 63.146 63.100 0.016 0.000 0.768 976 P CB 0.675 32.389 31.700 0.024 0.000 0.842 977 V N 4.947 124.850 119.914 -0.018 0.000 2.326 977 V HA 0.186 4.306 4.120 -0.000 0.000 0.281 977 V C 0.577 176.638 176.094 -0.055 0.000 1.015 977 V CA -0.592 61.678 62.300 -0.050 0.000 0.823 977 V CB 1.638 33.405 31.823 -0.094 0.000 1.009 977 V HN 0.304 nan 8.190 nan 0.000 0.436 978 V N 3.555 123.453 119.914 -0.026 0.000 2.834 978 V HA 0.967 5.087 4.120 -0.000 0.000 0.313 978 V C 0.371 176.436 176.094 -0.048 0.000 1.060 978 V CA -0.326 61.980 62.300 0.009 0.000 0.989 978 V CB 1.868 33.745 31.823 0.089 0.000 1.041 978 V HN 0.976 nan 8.190 nan 0.000 0.459 979 A N 1.483 124.280 122.820 -0.039 0.000 2.587 979 A HA 0.709 5.029 4.320 -0.000 0.000 0.293 979 A C -1.632 175.935 177.584 -0.028 0.000 1.087 979 A CA -0.493 51.505 52.037 -0.066 0.000 0.692 979 A CB 1.870 20.765 19.000 -0.174 0.000 1.291 979 A HN 0.697 nan 8.150 nan 0.000 0.407 980 D N 1.500 121.881 120.400 -0.031 0.000 2.414 980 D HA 0.287 4.927 4.640 -0.000 0.000 0.232 980 D C 0.903 177.154 176.300 -0.081 0.000 1.070 980 D CA -0.377 53.582 54.000 -0.068 0.000 0.839 980 D CB 1.237 41.989 40.800 -0.079 0.000 1.079 980 D HN 0.426 nan 8.370 nan 0.000 0.521 981 L N 3.430 124.582 121.223 -0.119 0.000 2.127 981 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 981 L C 1.948 178.669 176.870 -0.248 0.000 1.089 981 L CA 1.502 56.262 54.840 -0.133 0.000 0.757 981 L CB -0.009 41.957 42.059 -0.154 0.000 0.899 981 L HN 0.521 nan 8.230 nan 0.000 0.434 982 A N -0.705 121.875 122.820 -0.401 0.000 2.070 982 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 982 A C 2.019 179.554 177.584 -0.081 0.000 1.159 982 A CA 1.263 53.048 52.037 -0.420 0.000 0.656 982 A CB -0.181 18.557 19.000 -0.436 0.000 0.800 982 A HN 0.343 nan 8.150 nan 0.000 0.453 983 K N -0.820 119.541 120.400 -0.065 0.000 2.367 983 K HA 0.243 4.563 4.320 -0.000 0.000 0.194 983 K C 1.561 178.164 176.600 0.005 0.000 1.027 983 K CA 0.158 56.439 56.287 -0.010 0.000 1.075 983 K CB -0.080 32.418 32.500 -0.004 0.000 0.845 983 K HN 0.553 nan 8.250 nan 0.000 0.529 984 M N 1.489 121.093 119.600 0.008 0.000 2.067 984 M HA -0.102 4.378 4.480 -0.000 0.000 0.260 984 M C -0.648 175.642 176.300 -0.017 0.000 1.069 984 M CA 1.925 57.240 55.300 0.025 0.000 1.117 984 M CB -1.293 31.343 32.600 0.060 0.000 1.334 984 M HN -0.113 nan 8.290 nan 0.000 0.407 985 P HA 0.089 nan 4.420 nan 0.000 0.267 985 P C -0.449 176.679 177.300 -0.287 0.000 1.289 985 P CA 0.883 63.886 63.100 -0.161 0.000 0.866 985 P CB 0.355 31.873 31.700 -0.303 0.000 1.309 986 H N 0.260 119.393 119.070 0.105 0.000 2.851 986 H HA 0.482 5.038 4.556 -0.000 0.000 0.372 986 H C -0.055 175.299 175.328 0.044 0.000 1.158 986 H CA -0.757 55.334 56.048 0.072 0.000 1.159 986 H CB 2.454 32.227 29.762 0.019 0.000 1.757 986 H HN -0.038 nan 8.280 nan 0.000 0.546 987 L N 0.282 121.600 121.223 0.158 0.000 2.309 987 L HA 0.728 5.068 4.340 -0.000 0.000 0.261 987 L C -1.452 175.447 176.870 0.048 0.000 1.021 987 L CA -1.053 53.844 54.840 0.096 0.000 0.823 987 L CB 2.902 45.031 42.059 0.117 0.000 1.366 987 L HN 0.436 nan 8.230 nan 0.000 0.423 988 L N 2.309 123.554 121.223 0.037 0.000 2.376 988 L HA 0.687 5.027 4.340 -0.000 0.000 0.275 988 L C -1.261 175.656 176.870 0.078 0.000 0.987 988 L CA -0.631 54.222 54.840 0.021 0.000 0.828 988 L CB 1.997 44.057 42.059 0.002 0.000 1.249 988 L HN 0.562 nan 8.230 nan 0.000 0.409 989 V N 3.826 123.812 119.914 0.121 0.000 2.667 989 V HA 0.954 5.074 4.120 -0.000 0.000 0.308 989 V C -0.022 176.201 176.094 0.215 0.000 1.048 989 V CA -0.294 62.117 62.300 0.185 0.000 0.928 989 V CB 1.525 33.490 31.823 0.237 0.000 1.004 989 V HN 0.902 nan 8.190 nan 0.000 0.444 990 A N 2.267 125.235 122.820 0.246 0.000 2.601 990 A HA 1.034 5.354 4.320 -0.000 0.000 0.291 990 A C -0.310 177.433 177.584 0.266 0.000 1.075 990 A CA -0.034 52.137 52.037 0.222 0.000 0.671 990 A CB 1.835 20.933 19.000 0.164 0.000 1.277 990 A HN 1.968 nan 8.150 nan 0.000 0.417 991 G N -0.983 107.934 108.800 0.194 0.000 2.337 991 G HA2 0.567 4.527 3.960 -0.000 0.000 0.298 991 G HA3 0.567 4.527 3.960 -0.000 0.000 0.298 991 G C -0.540 174.425 174.900 0.109 0.000 1.335 991 G CA 0.187 45.397 45.100 0.184 0.000 0.875 991 G HN 1.103 nan 8.290 nan 0.000 0.579 992 T N 0.176 114.782 114.554 0.087 0.000 2.770 992 T HA 0.451 4.801 4.350 -0.000 0.000 0.281 992 T C 2.047 176.766 174.700 0.032 0.000 0.981 992 T CA 0.541 62.672 62.100 0.051 0.000 0.955 992 T CB 0.744 69.638 68.868 0.044 0.000 1.060 992 T HN 0.649 nan 8.240 nan 0.000 0.531 993 T N 1.435 115.999 114.554 0.018 0.000 2.592 993 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 993 T C 1.685 176.380 174.700 -0.008 0.000 1.060 993 T CA 1.787 63.890 62.100 0.004 0.000 1.167 993 T CB -0.668 68.203 68.868 0.004 0.000 0.863 993 T HN 0.779 nan 8.240 nan 0.000 0.431 994 G N 0.578 109.375 108.800 -0.004 0.000 3.820 994 G HA2 0.317 4.277 3.960 -0.000 0.000 0.293 994 G HA3 0.317 4.277 3.960 -0.000 0.000 0.293 994 G C 1.200 176.090 174.900 -0.017 0.000 1.152 994 G CA 0.372 45.464 45.100 -0.014 0.000 0.921 994 G HN 0.544 nan 8.290 nan 0.000 0.544 995 S N -1.076 114.612 115.700 -0.020 0.000 2.470 995 S HA 0.343 4.813 4.470 -0.000 0.000 0.225 995 S C 1.723 176.252 174.600 -0.119 0.000 1.006 995 S CA 0.795 59.000 58.200 0.008 0.000 0.934 995 S CB 0.213 63.475 63.200 0.104 0.000 0.778 995 S HN 1.357 nan 8.310 nan 0.000 0.517 996 G N 0.351 108.978 108.800 -0.288 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 0.749 175.006 174.900 -1.073 0.000 1.012 996 G CA 0.016 44.808 45.100 -0.512 0.000 0.677 996 G HN 0.889 nan 8.290 nan 0.000 0.506 997 A N 0.673 122.991 122.820 -0.837 0.000 1.930 997 A HA 0.238 4.558 4.320 -0.000 0.000 0.217 997 A C 2.671 180.092 177.584 -0.273 0.000 1.175 997 A CA 2.712 54.380 52.037 -0.615 0.000 0.627 997 A CB -0.594 18.345 19.000 -0.103 0.000 0.815 997 A HN 1.640 nan 8.150 nan 0.000 0.443 998 S N -0.612 114.971 115.700 -0.194 0.000 2.395 998 S HA -0.061 4.409 4.470 -0.000 0.000 0.225 998 S C 1.676 176.221 174.600 -0.090 0.000 1.027 998 S CA 1.199 59.346 58.200 -0.089 0.000 0.965 998 S CB -0.693 62.474 63.200 -0.054 0.000 0.812 998 S HN 0.212 nan 8.310 nan 0.000 0.482 999 V N 2.308 122.137 119.914 -0.142 0.000 2.548 999 V HA 0.025 4.145 4.120 -0.000 0.000 0.249 999 V C 2.837 178.883 176.094 -0.081 0.000 1.055 999 V CA 1.593 63.827 62.300 -0.111 0.000 1.065 999 V CB -1.554 30.214 31.823 -0.091 0.000 0.681 999 V HN 0.643 nan 8.190 nan 0.000 0.462 1000 G N 0.015 108.741 108.800 -0.123 0.000 2.433 1000 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 1000 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 1000 G C 1.683 176.626 174.900 0.072 0.000 1.186 1000 G CA 1.204 46.340 45.100 0.060 0.000 0.779 1000 G HN 0.358 nan 8.290 nan 0.000 0.543 1001 V N 1.532 121.470 119.914 0.040 0.000 2.332 1001 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 1001 V C 2.716 178.808 176.094 -0.004 0.000 1.055 1001 V CA 1.937 64.253 62.300 0.026 0.000 1.038 1001 V CB -0.495 31.336 31.823 0.013 0.000 0.651 1001 V HN 0.310 nan 8.190 nan 0.000 0.450 1002 N N 0.440 119.147 118.700 0.011 0.000 2.104 1002 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 1002 N C 1.890 177.415 175.510 0.026 0.000 1.024 1002 N CA 1.699 54.779 53.050 0.051 0.000 0.853 1002 N CB -0.500 38.009 38.487 0.036 0.000 1.008 1002 N HN 0.500 nan 8.380 nan 0.000 0.424 1003 A N 0.777 123.596 122.820 -0.000 0.000 1.933 1003 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 1003 A C 2.321 179.905 177.584 -0.000 0.000 1.175 1003 A CA 1.222 53.252 52.037 -0.011 0.000 0.628 1003 A CB -0.398 18.599 19.000 -0.006 0.000 0.814 1003 A HN 0.218 nan 8.150 nan 0.000 0.444 1004 M N -0.843 118.764 119.600 0.011 0.000 2.098 1004 M HA -0.031 4.449 4.480 -0.000 0.000 0.262 1004 M C 2.114 178.418 176.300 0.007 0.000 1.072 1004 M CA 1.485 56.797 55.300 0.019 0.000 1.133 1004 M CB -0.431 32.184 32.600 0.025 0.000 1.344 1004 M HN 0.389 nan 8.290 nan 0.000 0.414 1005 I N 0.118 120.641 120.570 -0.078 0.000 2.163 1005 I HA -0.328 3.842 4.170 -0.000 0.000 0.243 1005 I C 2.251 178.348 176.117 -0.034 0.000 1.085 1005 I CA 1.190 62.365 61.300 -0.208 0.000 1.347 1005 I CB -0.452 37.219 38.000 -0.548 0.000 1.044 1005 I HN 0.233 nan 8.210 nan 0.000 0.408 1006 L N 0.327 121.591 121.223 0.070 0.000 2.042 1006 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 1006 L C 2.701 179.733 176.870 0.270 0.000 1.076 1006 L CA 1.702 56.663 54.840 0.202 0.000 0.749 1006 L CB -0.795 41.380 42.059 0.195 0.000 0.893 1006 L HN 0.121 nan 8.230 nan 0.000 0.432 1007 S N -1.051 114.734 115.700 0.142 0.000 2.374 1007 S HA -0.252 4.218 4.470 -0.000 0.000 0.227 1007 S C 1.965 176.799 174.600 0.391 0.000 1.037 1007 S CA 1.761 60.056 58.200 0.159 0.000 1.024 1007 S CB -0.290 62.969 63.200 0.098 0.000 0.861 1007 S HN 0.378 nan 8.310 nan 0.000 0.456 1008 M N 0.536 120.296 119.600 0.266 0.000 2.132 1008 M HA 0.010 4.490 4.480 -0.000 0.000 0.263 1008 M C 1.811 178.245 176.300 0.223 0.000 1.065 1008 M CA 1.168 56.611 55.300 0.239 0.000 1.122 1008 M CB -0.445 32.285 32.600 0.217 0.000 1.365 1008 M HN 0.235 nan 8.290 nan 0.000 0.411 1009 L N -1.478 119.852 121.223 0.178 0.000 2.353 1009 L HA -0.196 4.144 4.340 -0.000 0.000 0.220 1009 L C 1.329 178.457 176.870 0.429 0.000 1.133 1009 L CA 0.975 55.921 54.840 0.177 0.000 0.798 1009 L CB -0.460 41.681 42.059 0.136 0.000 0.922 1009 L HN 0.299 nan 8.230 nan 0.000 0.445 1010 Y N -0.978 119.538 120.300 0.361 0.000 2.468 1010 Y HA 0.013 4.563 4.550 0.000 0.000 0.268 1010 Y C 2.068 178.183 175.900 0.358 0.000 1.177 1010 Y CA 0.383 58.690 58.100 0.346 0.000 1.265 1010 Y CB 0.330 38.955 38.460 0.275 0.000 1.103 1010 Y HN 0.037 nan 8.280 nan 0.000 0.522 1011 K N -1.283 119.371 120.400 0.424 0.000 2.611 1011 K HA 0.391 4.711 4.320 -0.000 0.000 0.209 1011 K C -0.203 176.525 176.600 0.214 0.000 1.658 1011 K CA 0.275 56.723 56.287 0.268 0.000 1.080 1011 K CB 0.532 33.116 32.500 0.139 0.000 1.430 1011 K HN -0.035 nan 8.250 nan 0.000 0.596 1012 A N 1.690 124.660 122.820 0.249 0.000 2.337 1012 A HA 0.593 4.913 4.320 -0.000 0.000 0.329 1012 A C -0.822 176.964 177.584 0.336 0.000 1.146 1012 A CA -0.644 51.520 52.037 0.211 0.000 0.800 1012 A CB 1.305 20.369 19.000 0.106 0.000 1.220 1012 A HN 0.125 nan 8.150 nan 0.000 0.472 1013 Q N 1.185 121.137 119.800 0.253 0.000 2.221 1013 Q HA 0.296 4.636 4.340 -0.000 0.000 0.242 1013 Q C -1.838 174.176 176.000 0.023 0.000 0.940 1013 Q CA -2.138 53.801 55.803 0.227 0.000 0.896 1013 Q CB 0.838 29.678 28.738 0.170 0.000 1.226 1013 Q HN 0.385 nan 8.270 nan 0.000 0.463 1014 P HA -0.257 nan 4.420 nan 0.000 0.217 1014 P C 0.904 178.142 177.300 -0.103 0.000 1.151 1014 P CA 1.900 64.814 63.100 -0.310 0.000 0.849 1014 P CB 0.207 31.673 31.700 -0.390 0.000 0.787 1015 E N -1.031 119.140 120.200 -0.049 0.000 2.333 1015 E HA -0.190 4.160 4.350 -0.000 0.000 0.198 1015 E C 0.996 177.599 176.600 0.005 0.000 1.007 1015 E CA 1.102 57.492 56.400 -0.016 0.000 0.845 1015 E CB -0.600 29.100 29.700 0.000 0.000 0.766 1015 E HN 0.273 nan 8.360 nan 0.000 0.507 1016 D N 0.613 121.032 120.400 0.032 0.000 2.269 1016 D HA 0.059 4.699 4.640 -0.000 0.000 0.220 1016 D C 0.308 176.659 176.300 0.085 0.000 0.962 1016 D CA 0.681 54.728 54.000 0.078 0.000 0.884 1016 D CB 0.756 41.620 40.800 0.107 0.000 1.023 1016 D HN 0.025 nan 8.370 nan 0.000 0.484 1017 V N 1.631 121.542 119.914 -0.005 0.000 2.686 1017 V HA 0.426 4.546 4.120 -0.000 0.000 0.306 1017 V C -0.319 175.579 176.094 -0.326 0.000 1.065 1017 V CA -0.910 61.297 62.300 -0.155 0.000 0.894 1017 V CB 2.914 34.559 31.823 -0.297 0.000 1.004 1017 V HN -0.060 nan 8.190 nan 0.000 0.424 1018 R N 2.531 122.817 120.500 -0.356 0.000 2.740 1018 R HA 0.723 5.063 4.340 -0.000 0.000 0.282 1018 R C -1.506 174.551 176.300 -0.405 0.000 0.969 1018 R CA -0.499 55.413 56.100 -0.313 0.000 0.918 1018 R CB 2.285 32.532 30.300 -0.088 0.000 1.175 1018 R HN 0.600 nan 8.270 nan 0.000 0.464 1019 F N 1.311 121.277 119.950 0.027 0.000 2.561 1019 F HA 0.598 5.125 4.527 -0.000 0.000 0.321 1019 F C 0.509 176.301 175.800 -0.014 0.000 1.065 1019 F CA -0.906 57.092 58.000 -0.003 0.000 0.934 1019 F CB 1.766 40.728 39.000 -0.062 0.000 1.215 1019 F HN 0.130 nan 8.300 nan 0.000 0.471 1020 I N 3.278 123.970 120.570 0.204 0.000 2.448 1020 I HA 0.331 4.501 4.170 -0.000 0.000 0.281 1020 I C -1.018 175.138 176.117 0.065 0.000 1.027 1020 I CA -0.330 61.017 61.300 0.078 0.000 1.111 1020 I CB 1.298 39.326 38.000 0.046 0.000 1.236 1020 I HN 0.481 nan 8.210 nan 0.000 0.452 1021 M N 6.565 126.179 119.600 0.023 0.000 2.180 1021 M HA 0.496 4.976 4.480 -0.000 0.000 0.350 1021 M C -0.737 175.561 176.300 -0.004 0.000 1.125 1021 M CA -0.648 54.644 55.300 -0.012 0.000 1.031 1021 M CB 1.789 34.353 32.600 -0.060 0.000 1.623 1021 M HN 0.280 nan 8.290 nan 0.000 0.451 1022 I N 2.703 123.278 120.570 0.008 0.000 2.330 1022 I HA 0.275 4.445 4.170 -0.000 0.000 0.289 1022 I C -0.515 175.617 176.117 0.024 0.000 1.001 1022 I CA -0.150 61.161 61.300 0.019 0.000 1.193 1022 I CB 1.039 39.062 38.000 0.038 0.000 1.345 1022 I HN 0.605 nan 8.210 nan 0.000 0.461 1023 D N 9.281 129.693 120.400 0.019 0.000 2.400 1023 D HA 0.306 4.946 4.640 -0.000 0.000 0.272 1023 D C -1.673 174.638 176.300 0.019 0.000 1.220 1023 D CA -1.676 52.338 54.000 0.023 0.000 0.897 1023 D CB 1.901 42.715 40.800 0.023 0.000 1.134 1023 D HN 0.195 nan 8.370 nan 0.000 0.507 1024 P HA -0.086 nan 4.420 nan 0.000 0.228 1024 P C 0.492 177.799 177.300 0.010 0.000 1.151 1024 P CA 0.639 63.748 63.100 0.015 0.000 0.770 1024 P CB 0.498 32.209 31.700 0.018 0.000 0.786 1025 K N -0.539 119.869 120.400 0.013 0.000 2.358 1025 K HA 0.280 4.600 4.320 -0.000 0.000 0.200 1025 K C 0.782 177.388 176.600 0.010 0.000 1.030 1025 K CA -0.112 56.181 56.287 0.010 0.000 1.097 1025 K CB -0.147 32.359 32.500 0.010 0.000 0.862 1025 K HN -0.037 nan 8.250 nan 0.000 0.534 1026 M N 0.848 120.455 119.600 0.012 0.000 2.206 1026 M HA -0.286 4.194 4.480 -0.000 0.000 0.197 1026 M C 0.255 176.562 176.300 0.012 0.000 0.375 1026 M CA 0.694 56.001 55.300 0.011 0.000 0.410 1026 M CB -1.792 30.812 32.600 0.007 0.000 1.204 1026 M HN 0.295 nan 8.290 nan 0.000 0.932 1027 L N -0.732 120.500 121.223 0.015 0.000 3.112 1027 L HA 0.182 4.522 4.340 -0.000 0.000 0.166 1027 L C 2.098 178.978 176.870 0.017 0.000 1.170 1027 L CA 0.060 54.909 54.840 0.014 0.000 0.854 1027 L CB 0.093 42.160 42.059 0.013 0.000 1.424 1027 L HN 0.268 nan 8.230 nan 0.000 0.542 1028 E N 0.844 121.059 120.200 0.025 0.000 2.047 1028 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 1028 E C 2.117 178.768 176.600 0.084 0.000 0.987 1028 E CA 1.319 57.743 56.400 0.039 0.000 0.799 1028 E CB -0.063 29.662 29.700 0.042 0.000 0.752 1028 E HN 0.491 nan 8.360 nan 0.000 0.449 1029 L N 1.492 122.772 121.223 0.096 0.000 2.418 1029 L HA -0.015 4.324 4.340 -0.000 0.000 0.218 1029 L C 2.474 179.442 176.870 0.164 0.000 1.125 1029 L CA 0.756 55.702 54.840 0.176 0.000 0.835 1029 L CB -0.420 41.678 42.059 0.066 0.000 0.953 1029 L HN 0.092 nan 8.230 nan 0.000 0.454 1030 S N -0.656 115.079 115.700 0.060 0.000 2.442 1030 S HA -0.157 4.313 4.470 -0.000 0.000 0.236 1030 S C 1.830 176.410 174.600 -0.033 0.000 1.007 1030 S CA 0.915 59.129 58.200 0.024 0.000 0.965 1030 S CB -0.689 62.515 63.200 0.007 0.000 0.773 1030 S HN 0.244 nan 8.310 nan 0.000 0.504 1031 V N 0.424 120.263 119.914 -0.126 0.000 3.241 1031 V HA -0.007 4.113 4.120 -0.000 0.000 0.269 1031 V C 0.986 176.799 176.094 -0.468 0.000 1.151 1031 V CA 1.137 63.220 62.300 -0.362 0.000 1.158 1031 V CB -0.908 30.593 31.823 -0.537 0.000 0.764 1031 V HN 0.696 nan 8.190 nan 0.000 0.508 1032 Y N -0.468 119.758 120.300 -0.124 0.000 2.458 1032 Y HA 0.364 4.914 4.550 -0.000 0.000 0.256 1032 Y C 1.113 176.986 175.900 -0.045 0.000 1.159 1032 Y CA -0.465 57.572 58.100 -0.104 0.000 1.261 1032 Y CB 0.133 38.506 38.460 -0.145 0.000 1.119 1032 Y HN 0.226 nan 8.280 nan 0.000 0.524 1033 E N 0.747 120.995 120.200 0.079 0.000 2.568 1033 E HA 0.176 4.526 4.350 -0.000 0.000 0.262 1033 E C 1.326 177.980 176.600 0.088 0.000 0.961 1033 E CA 1.226 57.679 56.400 0.087 0.000 0.945 1033 E CB 0.151 29.882 29.700 0.052 0.000 0.924 1033 E HN 0.529 nan 8.360 nan 0.000 0.467 1034 G N 3.837 112.712 108.800 0.126 0.000 2.176 1034 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.253 1034 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.253 1034 G C 0.490 175.437 174.900 0.078 0.000 0.979 1034 G CA 0.056 45.207 45.100 0.085 0.000 0.641 1034 G HN 0.605 nan 8.290 nan 0.000 0.530 1035 I N 3.019 123.661 120.570 0.120 0.000 2.598 1035 I HA 0.130 4.300 4.170 -0.000 0.000 0.284 1035 I C 0.246 176.413 176.117 0.084 0.000 1.140 1035 I CA -1.643 59.742 61.300 0.142 0.000 1.420 1035 I CB 1.291 39.402 38.000 0.185 0.000 1.387 1035 I HN -0.028 nan 8.210 nan 0.000 0.553 1036 P HA -0.205 nan 4.420 nan 0.000 0.223 1036 P C 0.936 178.095 177.300 -0.235 0.000 1.144 1036 P CA 1.606 64.617 63.100 -0.148 0.000 0.783 1036 P CB -0.090 31.512 31.700 -0.162 0.000 0.771 1037 H N -0.596 118.397 119.070 -0.128 0.000 2.502 1037 H HA 0.131 4.687 4.556 0.000 0.000 0.283 1037 H C 1.147 176.502 175.328 0.044 0.000 1.015 1037 H CA -0.057 55.934 56.048 -0.095 0.000 1.298 1037 H CB -0.182 29.544 29.762 -0.061 0.000 1.411 1037 H HN 0.185 nan 8.280 nan 0.000 0.556 1038 L N 2.162 123.535 121.223 0.250 0.000 2.559 1038 L HA -0.104 4.236 4.340 -0.000 0.000 0.274 1038 L C 1.598 178.596 176.870 0.213 0.000 1.205 1038 L CA -0.008 54.985 54.840 0.254 0.000 0.907 1038 L CB 0.829 43.057 42.059 0.283 0.000 1.153 1038 L HN 0.194 nan 8.230 nan 0.000 0.490 1039 L N 1.971 123.270 121.223 0.127 0.000 2.156 1039 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 1039 L C 1.074 177.979 176.870 0.057 0.000 1.095 1039 L CA 1.017 55.882 54.840 0.042 0.000 0.770 1039 L CB 0.060 42.051 42.059 -0.114 0.000 0.914 1039 L HN 0.738 nan 8.230 nan 0.000 0.439 1040 T N -1.539 112.984 114.554 -0.052 0.000 2.792 1040 T HA 0.227 4.577 4.350 -0.000 0.000 0.303 1040 T C -1.192 173.231 174.700 -0.462 0.000 1.310 1040 T CA -0.764 61.068 62.100 -0.447 0.000 1.007 1040 T CB 1.373 70.007 68.868 -0.390 0.000 1.335 1040 T HN 0.076 nan 8.240 nan 0.000 0.504 1041 E N 1.176 120.915 120.200 -0.768 0.000 2.415 1041 E HA 0.253 4.603 4.350 -0.000 0.000 0.262 1041 E C -0.051 176.454 176.600 -0.158 0.000 1.038 1041 E CA -0.462 55.727 56.400 -0.352 0.000 0.921 1041 E CB 0.447 29.953 29.700 -0.325 0.000 0.950 1041 E HN 0.388 nan 8.360 nan 0.000 0.438 1042 V N 3.320 123.203 119.914 -0.051 0.000 2.583 1042 V HA -0.100 4.020 4.120 -0.000 0.000 0.302 1042 V C 0.229 176.296 176.094 -0.044 0.000 1.033 1042 V CA 0.254 62.538 62.300 -0.027 0.000 1.194 1042 V CB -0.049 31.779 31.823 0.009 0.000 0.879 1042 V HN 0.385 nan 8.190 nan 0.000 0.482 1043 V N 5.899 125.787 119.914 -0.043 0.000 2.508 1043 V HA 0.109 4.229 4.120 -0.000 0.000 0.281 1043 V C 1.096 177.179 176.094 -0.017 0.000 1.041 1043 V CA 0.420 62.697 62.300 -0.040 0.000 1.016 1043 V CB 0.840 32.642 31.823 -0.035 0.000 0.984 1043 V HN 1.073 nan 8.190 nan 0.000 0.478 1044 T N 2.300 116.843 114.554 -0.019 0.000 3.071 1044 T HA 0.049 4.399 4.350 -0.000 0.000 0.239 1044 T C 0.577 175.275 174.700 -0.004 0.000 0.997 1044 T CA 0.127 62.222 62.100 -0.008 0.000 1.134 1044 T CB 0.042 68.904 68.868 -0.009 0.000 0.928 1044 T HN 0.807 nan 8.240 nan 0.000 0.453 1045 D N 0.636 121.030 120.400 -0.009 0.000 2.390 1045 D HA 0.132 4.772 4.640 -0.000 0.000 0.249 1045 D C 1.046 177.347 176.300 0.001 0.000 1.144 1045 D CA 0.001 53.998 54.000 -0.005 0.000 0.880 1045 D CB 0.830 41.625 40.800 -0.008 0.000 1.182 1045 D HN -0.120 nan 8.370 nan 0.000 0.451 1046 M N 2.895 122.499 119.600 0.006 0.000 2.374 1046 M HA -0.023 4.457 4.480 -0.000 0.000 0.264 1046 M C 1.497 177.806 176.300 0.015 0.000 1.067 1046 M CA 1.480 56.789 55.300 0.014 0.000 1.103 1046 M CB 0.061 32.669 32.600 0.013 0.000 1.402 1046 M HN 0.385 nan 8.290 nan 0.000 0.444 1047 K N -0.696 119.710 120.400 0.010 0.000 2.167 1047 K HA -0.075 4.245 4.320 -0.000 0.000 0.203 1047 K C 1.358 177.965 176.600 0.011 0.000 1.052 1047 K CA 1.098 57.392 56.287 0.011 0.000 0.956 1047 K CB -0.076 32.429 32.500 0.007 0.000 0.735 1047 K HN 0.216 nan 8.250 nan 0.000 0.451 1048 D N 0.971 121.373 120.400 0.004 0.000 2.144 1048 D HA -0.083 4.557 4.640 -0.000 0.000 0.200 1048 D C 1.810 178.112 176.300 0.004 0.000 0.978 1048 D CA 1.056 55.054 54.000 -0.004 0.000 0.833 1048 D CB -0.109 40.679 40.800 -0.020 0.000 0.961 1048 D HN 0.178 nan 8.370 nan 0.000 0.470 1049 A N 0.963 123.790 122.820 0.011 0.000 1.902 1049 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 1049 A C 2.303 179.909 177.584 0.037 0.000 1.181 1049 A CA 2.130 54.181 52.037 0.023 0.000 0.623 1049 A CB -0.777 18.242 19.000 0.032 0.000 0.818 1049 A HN 0.224 nan 8.150 nan 0.000 0.443 1050 A N 0.114 122.956 122.820 0.036 0.000 1.940 1050 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 1050 A C 1.914 179.526 177.584 0.048 0.000 1.176 1050 A CA 1.784 53.845 52.037 0.040 0.000 0.631 1050 A CB -0.852 18.167 19.000 0.033 0.000 0.814 1050 A HN 0.736 nan 8.150 nan 0.000 0.446 1051 N N -0.261 118.467 118.700 0.047 0.000 2.270 1051 N HA -0.018 4.722 4.740 -0.000 0.000 0.181 1051 N C 1.985 177.561 175.510 0.109 0.000 1.016 1051 N CA 0.755 53.845 53.050 0.066 0.000 0.870 1051 N CB -0.204 38.312 38.487 0.048 0.000 0.979 1051 N HN 0.502 nan 8.380 nan 0.000 0.431 1052 A N 1.566 124.435 122.820 0.082 0.000 1.883 1052 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 1052 A C 2.136 179.835 177.584 0.191 0.000 1.186 1052 A CA 1.102 53.203 52.037 0.107 0.000 0.624 1052 A CB -0.772 18.252 19.000 0.039 0.000 0.822 1052 A HN 0.172 nan 8.150 nan 0.000 0.444 1053 L N -1.327 119.968 121.223 0.120 0.000 2.046 1053 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 1053 L C 2.844 179.770 176.870 0.093 0.000 1.077 1053 L CA 1.476 56.374 54.840 0.096 0.000 0.747 1053 L CB -0.538 41.551 42.059 0.051 0.000 0.896 1053 L HN 0.376 nan 8.230 nan 0.000 0.432 1054 R N -0.481 120.074 120.500 0.092 0.000 2.120 1054 R HA -0.229 4.111 4.340 -0.000 0.000 0.234 1054 R C 2.144 178.485 176.300 0.069 0.000 1.123 1054 R CA 1.707 57.844 56.100 0.061 0.000 0.975 1054 R CB -0.368 29.968 30.300 0.059 0.000 0.866 1054 R HN 0.447 nan 8.270 nan 0.000 0.446 1055 W N 0.348 121.639 121.300 -0.015 0.000 2.381 1055 W HA -0.202 4.458 4.660 -0.000 0.000 0.301 1055 W C 2.098 178.603 176.519 -0.022 0.000 1.205 1055 W CA 1.088 58.424 57.345 -0.016 0.000 1.285 1055 W CB -0.440 29.011 29.460 -0.014 0.000 1.133 1055 W HN 0.026 nan 8.180 nan 0.000 0.521 1056 C N -0.370 118.997 119.300 0.112 0.000 2.422 1056 C HA -0.163 4.296 4.460 -0.000 0.000 0.279 1056 C C 2.704 177.577 174.990 -0.195 0.000 1.305 1056 C CA 1.137 60.124 59.018 -0.051 0.000 1.757 1056 C CB -1.366 26.445 27.740 0.118 0.000 1.962 1056 C HN 0.232 nan 8.230 nan 0.000 0.499 1057 V N 1.682 121.519 119.914 -0.128 0.000 2.427 1057 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 1057 V C 1.906 177.891 176.094 -0.181 0.000 1.051 1057 V CA 2.214 64.442 62.300 -0.119 0.000 1.048 1057 V CB -0.821 30.963 31.823 -0.066 0.000 0.666 1057 V HN 0.599 nan 8.190 nan 0.000 0.456 1058 N N 0.075 118.619 118.700 -0.260 0.000 2.216 1058 N HA -0.164 4.576 4.740 -0.000 0.000 0.183 1058 N C 1.861 177.138 175.510 -0.388 0.000 1.017 1058 N CA 0.936 53.815 53.050 -0.285 0.000 0.861 1058 N CB -0.132 38.184 38.487 -0.283 0.000 0.986 1058 N HN 0.450 nan 8.380 nan 0.000 0.428 1059 E N 1.365 121.192 120.200 -0.622 0.000 2.153 1059 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 1059 E C 1.849 178.199 176.600 -0.415 0.000 0.988 1059 E CA 0.937 56.942 56.400 -0.659 0.000 0.811 1059 E CB -0.116 28.936 29.700 -1.079 0.000 0.746 1059 E HN 0.398 nan 8.360 nan 0.000 0.466 1060 M N -0.094 119.302 119.600 -0.338 0.000 2.156 1060 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 1060 M C 1.651 177.824 176.300 -0.211 0.000 1.067 1060 M CA 1.717 56.838 55.300 -0.299 0.000 1.131 1060 M CB -0.062 32.431 32.600 -0.179 0.000 1.368 1060 M HN 0.037 nan 8.290 nan 0.000 0.416 1061 E N 0.249 120.381 120.200 -0.114 0.000 2.072 1061 E HA -0.234 4.116 4.350 -0.000 0.000 0.191 1061 E C 2.172 178.719 176.600 -0.089 0.000 0.985 1061 E CA 1.280 57.663 56.400 -0.029 0.000 0.801 1061 E CB -0.358 29.300 29.700 -0.069 0.000 0.750 1061 E HN 0.574 nan 8.360 nan 0.000 0.452 1062 R N 1.384 121.779 120.500 -0.174 0.000 2.073 1062 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 1062 R C 2.316 178.509 176.300 -0.178 0.000 1.134 1062 R CA 1.348 57.340 56.100 -0.180 0.000 0.952 1062 R CB -0.018 30.164 30.300 -0.197 0.000 0.850 1062 R HN 0.041 nan 8.270 nan 0.000 0.433 1063 R N -0.794 119.552 120.500 -0.258 0.000 2.091 1063 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 1063 R C 2.237 178.392 176.300 -0.242 0.000 1.136 1063 R CA 1.937 57.833 56.100 -0.341 0.000 0.959 1063 R CB -0.466 29.554 30.300 -0.468 0.000 0.856 1063 R HN 0.416 nan 8.270 nan 0.000 0.437 1064 Y N 0.892 121.105 120.300 -0.145 0.000 2.333 1064 Y HA -0.188 4.362 4.550 -0.000 0.000 0.290 1064 Y C 2.361 178.223 175.900 -0.064 0.000 1.144 1064 Y CA 0.854 58.897 58.100 -0.095 0.000 1.228 1064 Y CB 0.119 38.526 38.460 -0.089 0.000 0.985 1064 Y HN 0.037 nan 8.280 nan 0.000 0.542 1065 K N 0.207 120.633 120.400 0.043 0.000 2.001 1065 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 1065 K C 1.908 178.641 176.600 0.222 0.000 1.048 1065 K CA 1.323 57.587 56.287 -0.039 0.000 0.932 1065 K CB -0.384 31.873 32.500 -0.404 0.000 0.715 1065 K HN 0.330 nan 8.250 nan 0.000 0.437 1066 L N 0.662 122.014 121.223 0.214 0.000 2.046 1066 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 1066 L C 2.592 179.613 176.870 0.253 0.000 1.077 1066 L CA 1.246 56.268 54.840 0.303 0.000 0.747 1066 L CB -0.426 41.721 42.059 0.147 0.000 0.896 1066 L HN 0.254 nan 8.230 nan 0.000 0.432 1067 M N -0.974 118.722 119.600 0.160 0.000 2.267 1067 M HA -0.184 4.296 4.480 -0.000 0.000 0.263 1067 M C 2.346 178.754 176.300 0.181 0.000 1.063 1067 M CA 1.355 56.769 55.300 0.190 0.000 1.090 1067 M CB -0.333 32.362 32.600 0.160 0.000 1.392 1067 M HN 0.191 nan 8.290 nan 0.000 0.422 1068 S N 0.491 116.301 115.700 0.183 0.000 2.362 1068 S HA 0.014 4.484 4.470 -0.000 0.000 0.221 1068 S C 2.130 176.816 174.600 0.143 0.000 1.032 1068 S CA 1.075 59.364 58.200 0.149 0.000 0.973 1068 S CB -0.265 63.025 63.200 0.150 0.000 0.849 1068 S HN 0.564 nan 8.310 nan 0.000 0.465 1069 A N 1.359 124.292 122.820 0.187 0.000 1.986 1069 A HA -0.031 4.289 4.320 -0.000 0.000 0.220 1069 A C 1.784 179.404 177.584 0.060 0.000 1.171 1069 A CA 1.225 53.315 52.037 0.087 0.000 0.640 1069 A CB -0.591 18.414 19.000 0.008 0.000 0.811 1069 A HN 0.500 nan 8.150 nan 0.000 0.451 1070 L N -1.288 119.994 121.223 0.100 0.000 2.640 1070 L HA 0.273 4.612 4.340 -0.000 0.000 0.230 1070 L C 1.256 178.164 176.870 0.063 0.000 1.123 1070 L CA 0.206 55.087 54.840 0.068 0.000 0.900 1070 L CB -0.481 41.626 42.059 0.080 0.000 1.146 1070 L HN 0.496 nan 8.230 nan 0.000 0.484 1071 G N 1.792 110.637 108.800 0.075 0.000 2.370 1071 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.293 1071 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.293 1071 G C -0.490 174.449 174.900 0.066 0.000 0.992 1071 G CA 0.483 45.620 45.100 0.062 0.000 1.247 1071 G HN 0.166 nan 8.290 nan 0.000 0.505 1072 V N 0.636 120.604 119.914 0.091 0.000 3.040 1072 V HA 0.727 4.847 4.120 -0.000 0.000 0.312 1072 V C 1.155 177.312 176.094 0.105 0.000 1.115 1072 V CA -0.820 61.537 62.300 0.095 0.000 0.998 1072 V CB 1.834 33.730 31.823 0.120 0.000 1.042 1072 V HN 0.498 nan 8.190 nan 0.000 0.433 1073 R N 1.608 122.166 120.500 0.096 0.000 2.195 1073 R HA 0.298 4.638 4.340 -0.000 0.000 0.197 1073 R C -0.222 176.153 176.300 0.124 0.000 0.990 1073 R CA 0.269 56.430 56.100 0.102 0.000 1.048 1073 R CB 0.239 30.584 30.300 0.075 0.000 0.997 1073 R HN 0.705 nan 8.270 nan 0.000 0.502 1074 N N -0.360 118.406 118.700 0.110 0.000 2.653 1074 N HA 0.146 4.886 4.740 -0.000 0.000 0.294 1074 N C 0.192 175.750 175.510 0.080 0.000 1.305 1074 N CA -0.701 52.410 53.050 0.102 0.000 0.827 1074 N CB 0.762 39.313 38.487 0.107 0.000 1.415 1074 N HN -0.204 nan 8.380 nan 0.000 0.546 1075 L N 0.225 121.466 121.223 0.029 0.000 2.179 1075 L HA 0.088 4.427 4.340 -0.000 0.000 0.208 1075 L C 1.646 178.537 176.870 0.034 0.000 1.096 1075 L CA 1.325 56.139 54.840 -0.043 0.000 0.779 1075 L CB -0.599 41.334 42.059 -0.209 0.000 0.922 1075 L HN 0.703 nan 8.230 nan 0.000 0.443 1076 A N -0.056 122.796 122.820 0.054 0.000 1.933 1076 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 1076 A C 2.273 179.900 177.584 0.072 0.000 1.175 1076 A CA 1.517 53.598 52.037 0.074 0.000 0.628 1076 A CB -1.095 17.977 19.000 0.119 0.000 0.814 1076 A HN 0.492 nan 8.150 nan 0.000 0.444 1077 G N -1.797 107.056 108.800 0.087 0.000 2.408 1077 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 1077 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 1077 G C 1.522 176.468 174.900 0.077 0.000 1.150 1077 G CA 1.188 46.332 45.100 0.073 0.000 0.776 1077 G HN 0.605 nan 8.290 nan 0.000 0.542 1078 Y N 1.686 121.978 120.300 -0.012 0.000 2.114 1078 Y HA -0.137 4.413 4.550 0.000 0.000 0.284 1078 Y C 2.567 178.449 175.900 -0.030 0.000 1.143 1078 Y CA 2.224 60.312 58.100 -0.020 0.000 1.135 1078 Y CB -0.528 37.909 38.460 -0.037 0.000 0.980 1078 Y HN 0.276 nan 8.280 nan 0.000 0.499 1079 N N -0.066 118.646 118.700 0.021 0.000 2.149 1079 N HA -0.194 4.546 4.740 -0.000 0.000 0.188 1079 N C 1.581 177.017 175.510 -0.123 0.000 1.019 1079 N CA 1.438 54.441 53.050 -0.079 0.000 0.857 1079 N CB -0.132 38.361 38.487 0.009 0.000 0.997 1079 N HN 0.559 nan 8.380 nan 0.000 0.426 1080 E N 0.637 120.793 120.200 -0.074 0.000 2.150 1080 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 1080 E C 1.693 178.235 176.600 -0.097 0.000 0.985 1080 E CA 0.782 57.145 56.400 -0.061 0.000 0.814 1080 E CB 0.063 29.748 29.700 -0.025 0.000 0.752 1080 E HN 0.155 nan 8.360 nan 0.000 0.466 1081 K N 0.857 121.173 120.400 -0.140 0.000 2.097 1081 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 1081 K C 1.830 178.316 176.600 -0.190 0.000 1.049 1081 K CA 0.851 57.046 56.287 -0.154 0.000 0.933 1081 K CB 0.003 32.394 32.500 -0.182 0.000 0.717 1081 K HN 0.058 nan 8.250 nan 0.000 0.442 1082 I N 0.158 120.564 120.570 -0.274 0.000 2.353 1082 I HA -0.107 4.063 4.170 -0.000 0.000 0.248 1082 I C 2.132 178.170 176.117 -0.132 0.000 1.119 1082 I CA 1.215 62.374 61.300 -0.236 0.000 1.417 1082 I CB -1.447 36.375 38.000 -0.296 0.000 1.078 1082 I HN 0.097 nan 8.210 nan 0.000 0.421 1083 A N 0.619 123.375 122.820 -0.107 0.000 1.898 1083 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 1083 A C 2.376 179.926 177.584 -0.057 0.000 1.181 1083 A CA 1.586 53.583 52.037 -0.065 0.000 0.620 1083 A CB -0.619 18.352 19.000 -0.048 0.000 0.819 1083 A HN 0.470 nan 8.150 nan 0.000 0.442 1084 E N -0.049 120.114 120.200 -0.062 0.000 2.058 1084 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 1084 E C 2.142 178.711 176.600 -0.050 0.000 0.997 1084 E CA 1.155 57.525 56.400 -0.050 0.000 0.801 1084 E CB -0.264 29.405 29.700 -0.051 0.000 0.746 1084 E HN 0.530 nan 8.360 nan 0.000 0.450 1085 A N 1.094 123.875 122.820 -0.065 0.000 1.933 1085 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 1085 A C 1.774 179.328 177.584 -0.050 0.000 1.175 1085 A CA 1.877 53.878 52.037 -0.059 0.000 0.628 1085 A CB -0.500 18.455 19.000 -0.075 0.000 0.814 1085 A HN 0.282 nan 8.150 nan 0.000 0.444 1086 D N -0.362 120.007 120.400 -0.052 0.000 2.084 1086 D HA -0.124 4.516 4.640 -0.000 0.000 0.194 1086 D C 2.150 178.431 176.300 -0.032 0.000 0.990 1086 D CA 1.170 55.145 54.000 -0.041 0.000 0.826 1086 D CB -0.411 40.364 40.800 -0.041 0.000 0.971 1086 D HN 0.401 nan 8.370 nan 0.000 0.453 1087 R N -0.222 120.260 120.500 -0.031 0.000 2.139 1087 R HA -0.049 4.291 4.340 -0.000 0.000 0.243 1087 R C 1.680 177.967 176.300 -0.022 0.000 1.145 1087 R CA 0.886 56.972 56.100 -0.024 0.000 0.976 1087 R CB -0.065 30.222 30.300 -0.022 0.000 0.866 1087 R HN 0.232 nan 8.270 nan 0.000 0.449 1088 M N -0.455 119.130 119.600 -0.025 0.000 2.428 1088 M HA 0.160 4.640 4.480 -0.000 0.000 0.239 1088 M C 0.399 176.685 176.300 -0.023 0.000 1.121 1088 M CA 0.239 55.525 55.300 -0.022 0.000 1.019 1088 M CB 0.070 32.655 32.600 -0.024 0.000 1.485 1088 M HN 0.155 nan 8.290 nan 0.000 0.484 1089 M N 1.027 120.612 119.600 -0.025 0.000 2.249 1089 M HA -0.232 4.248 4.480 -0.000 0.000 0.198 1089 M C 0.016 176.301 176.300 -0.025 0.000 0.394 1089 M CA 0.720 56.006 55.300 -0.025 0.000 0.427 1089 M CB -1.430 31.158 32.600 -0.020 0.000 1.307 1089 M HN 0.287 nan 8.290 nan 0.000 0.924 1090 R N 1.554 122.036 120.500 -0.030 0.000 2.564 1090 R HA 0.371 4.711 4.340 -0.000 0.000 0.282 1090 R C -2.335 173.943 176.300 -0.038 0.000 1.573 1090 R CA -1.240 54.842 56.100 -0.030 0.000 1.588 1090 R CB 0.820 31.103 30.300 -0.029 0.000 1.154 1090 R HN 0.060 nan 8.270 nan 0.000 0.606 1091 P HA -0.012 nan 4.420 nan 0.000 0.266 1091 P C -0.377 176.896 177.300 -0.045 0.000 1.195 1091 P CA 0.001 63.073 63.100 -0.046 0.000 0.768 1091 P CB 0.817 32.489 31.700 -0.046 0.000 0.838 1092 I N 5.029 125.568 120.570 -0.052 0.000 2.301 1092 I HA 0.205 4.375 4.170 -0.000 0.000 0.292 1092 I C -1.818 174.279 176.117 -0.033 0.000 1.046 1092 I CA -2.781 58.492 61.300 -0.045 0.000 1.282 1092 I CB 0.617 38.582 38.000 -0.059 0.000 1.409 1092 I HN 0.188 nan 8.210 nan 0.000 0.484 1093 P HA 0.064 nan 4.420 nan 0.000 0.280 1093 P C -0.341 176.967 177.300 0.014 0.000 1.244 1093 P CA -0.441 62.651 63.100 -0.014 0.000 0.784 1093 P CB 0.987 32.689 31.700 0.002 0.000 0.913 1094 D N 5.150 125.571 120.400 0.036 0.000 2.536 1094 D HA -0.074 4.566 4.640 -0.000 0.000 0.260 1094 D C -0.891 175.463 176.300 0.091 0.000 1.270 1094 D CA -1.179 52.881 54.000 0.099 0.000 0.934 1094 D CB 0.234 41.133 40.800 0.165 0.000 1.129 1094 D HN 0.249 nan 8.370 nan 0.000 0.533 1095 P HA -0.150 nan 4.420 nan 0.000 0.230 1095 P C 0.515 177.641 177.300 -0.289 0.000 1.158 1095 P CA 1.021 63.985 63.100 -0.226 0.000 0.769 1095 P CB -0.042 31.416 31.700 -0.403 0.000 0.807 1096 Y N -3.309 117.074 120.300 0.138 0.000 2.462 1096 Y HA 0.187 4.737 4.550 0.000 0.000 0.261 1096 Y C 1.696 177.673 175.900 0.128 0.000 1.146 1096 Y CA -1.062 57.100 58.100 0.104 0.000 1.283 1096 Y CB -0.312 38.194 38.460 0.078 0.000 1.090 1096 Y HN -0.060 nan 8.280 nan 0.000 0.526 1108 P HA 0.505 nan 4.420 nan 0.000 0.292 1108 P C -0.898 176.231 177.300 -0.286 0.000 1.308 1108 P CA -0.728 61.960 63.100 -0.687 0.000 0.933 1108 P CB 2.994 34.239 31.700 -0.758 0.000 1.217 1109 V N 1.790 121.583 119.914 -0.201 0.000 2.612 1109 V HA 0.273 4.393 4.120 -0.000 0.000 0.301 1109 V C 0.751 176.812 176.094 -0.056 0.000 1.046 1109 V CA -0.962 61.275 62.300 -0.104 0.000 0.946 1109 V CB 1.463 33.232 31.823 -0.091 0.000 1.003 1109 V HN 0.399 nan 8.190 nan 0.000 0.459 1110 L N 3.710 124.921 121.223 -0.020 0.000 2.426 1110 L HA 0.427 4.767 4.340 -0.000 0.000 0.271 1110 L C 0.153 177.025 176.870 0.003 0.000 1.169 1110 L CA 0.169 55.027 54.840 0.029 0.000 0.836 1110 L CB 0.575 42.664 42.059 0.051 0.000 1.112 1110 L HN 0.637 nan 8.230 nan 0.000 0.465 1111 K N 1.873 122.305 120.400 0.052 0.000 2.395 1111 K HA 0.396 4.716 4.320 -0.000 0.000 0.245 1111 K C -0.836 175.815 176.600 0.086 0.000 1.017 1111 K CA -0.930 55.373 56.287 0.027 0.000 0.852 1111 K CB 1.743 34.253 32.500 0.017 0.000 1.311 1111 K HN 0.349 nan 8.250 nan 0.000 0.452 1112 K N 1.744 122.169 120.400 0.041 0.000 2.451 1112 K HA -0.016 4.304 4.320 -0.000 0.000 0.280 1112 K C -0.558 176.106 176.600 0.106 0.000 1.020 1112 K CA 0.412 56.743 56.287 0.074 0.000 1.008 1112 K CB 0.666 33.174 32.500 0.014 0.000 0.917 1112 K HN 0.352 nan 8.250 nan 0.000 0.478 1113 E N 4.055 124.346 120.200 0.152 0.000 2.175 1113 E HA 0.245 4.595 4.350 -0.000 0.000 0.278 1113 E C -2.353 174.201 176.600 -0.077 0.000 0.969 1113 E CA -2.094 54.317 56.400 0.018 0.000 0.796 1113 E CB 1.134 30.781 29.700 -0.089 0.000 1.104 1113 E HN 0.265 nan 8.360 nan 0.000 0.395 1114 P HA 0.153 nan 4.420 nan 0.000 0.281 1114 P C -0.870 176.353 177.300 -0.129 0.000 1.264 1114 P CA -0.456 62.587 63.100 -0.094 0.000 0.824 1114 P CB 0.665 32.344 31.700 -0.034 0.000 1.092 1115 Y N 0.222 120.512 120.300 -0.017 0.000 2.411 1115 Y HA 0.198 4.748 4.550 -0.000 0.000 0.333 1115 Y C 1.057 176.948 175.900 -0.015 0.000 1.186 1115 Y CA 0.293 58.398 58.100 0.009 0.000 1.381 1115 Y CB 0.268 38.722 38.460 -0.010 0.000 1.273 1115 Y HN 0.086 nan 8.280 nan 0.000 0.546 1116 I N 3.980 124.675 120.570 0.208 0.000 2.354 1116 I HA 0.221 4.391 4.170 -0.000 0.000 0.286 1116 I C -1.041 175.191 176.117 0.191 0.000 1.007 1116 I CA -0.714 60.672 61.300 0.144 0.000 1.167 1116 I CB 1.067 39.174 38.000 0.178 0.000 1.320 1116 I HN 0.220 nan 8.210 nan 0.000 0.458 1117 V N 7.705 127.694 119.914 0.125 0.000 2.333 1117 V HA 0.199 4.319 4.120 -0.000 0.000 0.274 1117 V C 0.195 176.438 176.094 0.250 0.000 1.028 1117 V CA -0.594 61.839 62.300 0.222 0.000 0.851 1117 V CB 1.500 33.489 31.823 0.276 0.000 1.000 1117 V HN 0.382 nan 8.190 nan 0.000 0.456 1118 V N 7.394 127.425 119.914 0.195 0.000 2.353 1118 V HA 0.328 4.448 4.120 -0.000 0.000 0.264 1118 V C 0.066 176.224 176.094 0.106 0.000 1.049 1118 V CA -0.204 62.181 62.300 0.141 0.000 0.896 1118 V CB 1.030 32.915 31.823 0.103 0.000 1.025 1118 V HN 0.612 nan 8.190 nan 0.000 0.475 1119 L N 5.745 127.017 121.223 0.082 0.000 2.282 1119 L HA 0.574 4.914 4.340 -0.000 0.000 0.288 1119 L C -0.550 176.333 176.870 0.021 0.000 1.033 1119 L CA -0.325 54.531 54.840 0.028 0.000 0.807 1119 L CB 1.806 43.835 42.059 -0.051 0.000 1.209 1119 L HN 0.395 nan 8.230 nan 0.000 0.423 1120 V N 2.742 122.674 119.914 0.031 0.000 2.376 1120 V HA 0.252 4.372 4.120 -0.000 0.000 0.287 1120 V C -0.643 175.504 176.094 0.088 0.000 1.015 1120 V CA -0.707 61.629 62.300 0.060 0.000 0.834 1120 V CB 1.689 33.556 31.823 0.074 0.000 1.001 1120 V HN 0.565 nan 8.190 nan 0.000 0.428 1121 D N 4.321 124.766 120.400 0.076 0.000 2.280 1121 D HA 0.326 4.966 4.640 -0.000 0.000 0.243 1121 D C 0.293 176.656 176.300 0.104 0.000 1.129 1121 D CA 0.011 54.060 54.000 0.081 0.000 0.848 1121 D CB 0.978 41.808 40.800 0.049 0.000 1.107 1121 D HN 0.677 nan 8.370 nan 0.000 0.471 1122 E N 3.020 123.301 120.200 0.135 0.000 2.414 1122 E HA -0.263 4.087 4.350 -0.000 0.000 0.173 1122 E C -0.123 176.539 176.600 0.104 0.000 1.551 1122 E CA 0.372 56.831 56.400 0.098 0.000 0.661 1122 E CB -1.969 27.753 29.700 0.036 0.000 1.108 1122 E HN 0.534 nan 8.360 nan 0.000 0.365 1123 F N 0.058 120.020 119.950 0.019 0.000 2.802 1123 F HA 0.365 4.892 4.527 -0.000 0.000 0.300 1123 F C 1.803 177.612 175.800 0.014 0.000 1.168 1123 F CA 0.380 58.389 58.000 0.016 0.000 1.433 1123 F CB -0.275 38.736 39.000 0.018 0.000 1.115 1123 F HN 0.259 nan 8.300 nan 0.000 0.582 1124 A N 1.248 123.703 122.820 -0.607 0.000 1.877 1124 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 1124 A C 2.009 179.448 177.584 -0.242 0.000 1.186 1124 A CA 2.018 53.733 52.037 -0.535 0.000 0.620 1124 A CB -0.960 17.834 19.000 -0.344 0.000 0.822 1124 A HN 0.426 nan 8.150 nan 0.000 0.443 1125 D N -0.127 120.195 120.400 -0.131 0.000 2.123 1125 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 1125 D C 1.906 178.186 176.300 -0.034 0.000 0.992 1125 D CA 0.947 54.911 54.000 -0.060 0.000 0.833 1125 D CB -0.412 40.373 40.800 -0.026 0.000 0.954 1125 D HN 0.427 nan 8.370 nan 0.000 0.455 1126 L N 0.253 121.473 121.223 -0.006 0.000 2.042 1126 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 1126 L C 2.395 179.282 176.870 0.028 0.000 1.076 1126 L CA 0.968 55.833 54.840 0.043 0.000 0.749 1126 L CB -0.081 42.056 42.059 0.129 0.000 0.893 1126 L HN 0.051 nan 8.230 nan 0.000 0.432 1127 M N -1.859 117.733 119.600 -0.013 0.000 2.123 1127 M HA -0.207 4.273 4.480 -0.000 0.000 0.263 1127 M C 2.071 178.355 176.300 -0.027 0.000 1.069 1127 M CA 1.469 56.761 55.300 -0.014 0.000 1.133 1127 M CB -0.713 31.843 32.600 -0.073 0.000 1.356 1127 M HN 0.236 nan 8.290 nan 0.000 0.415 1128 M N 0.108 119.677 119.600 -0.052 0.000 2.748 1128 M HA -0.078 4.402 4.480 -0.000 0.000 0.241 1128 M C 1.499 177.786 176.300 -0.020 0.000 1.080 1128 M CA 1.015 56.292 55.300 -0.039 0.000 1.068 1128 M CB -0.499 32.070 32.600 -0.051 0.000 1.536 1128 M HN 0.309 nan 8.290 nan 0.000 0.540 1129 T N -3.103 111.444 114.554 -0.011 0.000 3.186 1129 T HA 0.281 4.631 4.350 -0.000 0.000 0.292 1129 T C 0.582 175.285 174.700 0.005 0.000 0.915 1129 T CA 0.221 62.319 62.100 -0.003 0.000 0.902 1129 T CB 0.197 69.063 68.868 -0.002 0.000 1.192 1129 T HN 0.045 nan 8.240 nan 0.000 0.563 1130 V N -0.448 119.472 119.914 0.010 0.000 3.406 1130 V HA 0.410 4.530 4.120 -0.000 0.000 0.266 1130 V C 2.045 178.150 176.094 0.019 0.000 1.697 1130 V CA -0.057 62.252 62.300 0.016 0.000 1.046 1130 V CB 0.012 31.849 31.823 0.024 0.000 0.879 1130 V HN 0.551 nan 8.190 nan 0.000 0.399 1131 G N 1.915 110.726 108.800 0.017 0.000 2.651 1131 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.387 1131 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.387 1131 G C 1.216 176.132 174.900 0.028 0.000 1.291 1131 G CA 1.315 46.427 45.100 0.020 0.000 0.958 1131 G HN 0.269 nan 8.290 nan 0.000 0.549 1132 K N 0.375 120.788 120.400 0.021 0.000 2.206 1132 K HA -0.236 4.084 4.320 -0.000 0.000 0.211 1132 K C 2.473 179.085 176.600 0.021 0.000 1.047 1132 K CA 2.254 58.553 56.287 0.020 0.000 0.933 1132 K CB -0.462 32.047 32.500 0.014 0.000 0.721 1132 K HN 0.649 nan 8.250 nan 0.000 0.471 1133 K N 0.427 120.840 120.400 0.021 0.000 2.025 1133 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 1133 K C 2.046 178.662 176.600 0.026 0.000 1.049 1133 K CA 1.266 57.565 56.287 0.020 0.000 0.933 1133 K CB 0.100 32.611 32.500 0.019 0.000 0.714 1133 K HN -0.069 nan 8.250 nan 0.000 0.438 1134 V N 1.642 121.579 119.914 0.037 0.000 2.270 1134 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 1134 V C 2.076 178.198 176.094 0.047 0.000 1.043 1134 V CA 1.947 64.277 62.300 0.050 0.000 1.014 1134 V CB -0.571 31.299 31.823 0.078 0.000 0.645 1134 V HN 0.384 nan 8.190 nan 0.000 0.447 1135 E N -0.019 120.214 120.200 0.056 0.000 2.070 1135 E HA -0.331 4.019 4.350 -0.000 0.000 0.197 1135 E C 2.264 178.876 176.600 0.019 0.000 1.004 1135 E CA 1.799 58.228 56.400 0.047 0.000 0.805 1135 E CB -0.184 29.547 29.700 0.051 0.000 0.744 1135 E HN 0.712 nan 8.360 nan 0.000 0.451 1136 E N 0.665 120.875 120.200 0.017 0.000 2.070 1136 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 1136 E C 2.104 178.702 176.600 -0.002 0.000 1.004 1136 E CA 1.095 57.499 56.400 0.006 0.000 0.805 1136 E CB -0.035 29.669 29.700 0.008 0.000 0.744 1136 E HN 0.198 nan 8.360 nan 0.000 0.451 1137 L N 0.274 121.497 121.223 0.001 0.000 2.044 1137 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 1137 L C 2.508 179.362 176.870 -0.027 0.000 1.075 1137 L CA 0.813 55.649 54.840 -0.007 0.000 0.747 1137 L CB -0.288 41.774 42.059 0.005 0.000 0.903 1137 L HN 0.269 nan 8.230 nan 0.000 0.435 1138 I N -0.128 120.424 120.570 -0.030 0.000 2.163 1138 I HA -0.335 3.835 4.170 -0.000 0.000 0.243 1138 I C 2.833 178.898 176.117 -0.087 0.000 1.085 1138 I CA 1.262 62.519 61.300 -0.072 0.000 1.347 1138 I CB -0.565 37.392 38.000 -0.073 0.000 1.044 1138 I HN 0.232 nan 8.210 nan 0.000 0.408 1139 A N 0.913 123.703 122.820 -0.051 0.000 1.873 1139 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 1139 A C 2.451 180.010 177.584 -0.042 0.000 1.193 1139 A CA 2.264 54.276 52.037 -0.041 0.000 0.629 1139 A CB -0.810 18.179 19.000 -0.018 0.000 0.826 1139 A HN 0.384 nan 8.150 nan 0.000 0.447 1140 R N -0.597 119.883 120.500 -0.034 0.000 2.083 1140 R HA -0.084 4.256 4.340 -0.000 0.000 0.237 1140 R C 2.132 178.412 176.300 -0.034 0.000 1.137 1140 R CA 1.599 57.682 56.100 -0.027 0.000 0.951 1140 R CB -0.391 29.896 30.300 -0.022 0.000 0.851 1140 R HN 0.546 nan 8.270 nan 0.000 0.434 1141 L N 0.090 121.275 121.223 -0.063 0.000 1.994 1141 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 1141 L C 2.638 179.428 176.870 -0.133 0.000 1.071 1141 L CA 1.454 56.240 54.840 -0.090 0.000 0.745 1141 L CB -0.594 41.392 42.059 -0.121 0.000 0.892 1141 L HN 0.375 nan 8.230 nan 0.000 0.431 1142 A N -0.888 121.791 122.820 -0.236 0.000 2.024 1142 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 1142 A C 2.130 179.745 177.584 0.052 0.000 1.164 1142 A CA 1.642 53.503 52.037 -0.294 0.000 0.643 1142 A CB -0.426 18.430 19.000 -0.240 0.000 0.806 1142 A HN 0.525 nan 8.150 nan 0.000 0.451 1143 Q N -0.780 119.032 119.800 0.021 0.000 2.016 1143 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 1143 Q C 1.041 177.087 176.000 0.076 0.000 0.978 1143 Q CA 1.612 57.443 55.803 0.047 0.000 0.833 1143 Q CB -0.048 28.699 28.738 0.015 0.000 0.895 1143 Q HN 0.616 nan 8.270 nan 0.000 0.427 1144 K N -1.189 119.263 120.400 0.086 0.000 2.478 1144 K HA 0.314 4.634 4.320 -0.000 0.000 0.205 1144 K C 0.740 177.473 176.600 0.222 0.000 1.033 1144 K CA 0.112 56.486 56.287 0.146 0.000 1.091 1144 K CB 1.197 33.768 32.500 0.119 0.000 0.844 1144 K HN 0.032 nan 8.250 nan 0.000 0.507 1145 A N 1.318 124.219 122.820 0.135 0.000 2.072 1145 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 1145 A C 2.066 179.613 177.584 -0.062 0.000 1.156 1145 A CA 0.560 52.619 52.037 0.037 0.000 0.701 1145 A CB -0.197 18.824 19.000 0.035 0.000 0.816 1145 A HN 0.250 nan 8.150 nan 0.000 0.458 1146 R N 0.277 120.755 120.500 -0.036 0.000 2.113 1146 R HA -0.183 4.157 4.340 -0.000 0.000 0.231 1146 R C 2.238 178.531 176.300 -0.012 0.000 1.129 1146 R CA 1.969 57.989 56.100 -0.133 0.000 0.915 1146 R CB -0.615 29.654 30.300 -0.052 0.000 0.837 1146 R HN 0.353 nan 8.270 nan 0.000 0.430 1147 A N 0.386 123.258 122.820 0.087 0.000 2.042 1147 A HA -0.177 4.143 4.320 -0.000 0.000 0.222 1147 A C 2.247 179.805 177.584 -0.043 0.000 1.167 1147 A CA 1.994 54.102 52.037 0.119 0.000 0.649 1147 A CB -0.786 18.385 19.000 0.284 0.000 0.809 1147 A HN 0.655 nan 8.150 nan 0.000 0.457 1148 A N -2.060 120.602 122.820 -0.264 0.000 2.208 1148 A HA 0.404 4.724 4.320 -0.000 0.000 0.209 1148 A C 1.807 179.240 177.584 -0.252 0.000 1.161 1148 A CA 1.219 52.958 52.037 -0.497 0.000 0.782 1148 A CB -0.845 17.689 19.000 -0.776 0.000 0.816 1148 A HN 1.983 nan 8.150 nan 0.000 0.477 1149 G N -0.973 107.787 108.800 -0.067 0.000 2.149 1149 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.235 1149 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.235 1149 G C -0.077 174.944 174.900 0.202 0.000 1.018 1149 G CA 0.255 45.464 45.100 0.182 0.000 0.728 1149 G HN 0.469 nan 8.290 nan 0.000 0.508 1150 I N 0.802 121.320 120.570 -0.086 0.000 2.378 1150 I HA 0.512 4.682 4.170 -0.000 0.000 0.291 1150 I C -0.128 175.879 176.117 -0.184 0.000 0.992 1150 I CA -1.009 60.283 61.300 -0.012 0.000 1.154 1150 I CB 1.464 39.444 38.000 -0.033 0.000 1.315 1150 I HN 0.115 nan 8.210 nan 0.000 0.448 1151 H N 5.532 124.724 119.070 0.203 0.000 2.600 1151 H HA 0.544 5.100 4.556 -0.000 0.000 0.357 1151 H C -1.073 174.412 175.328 0.263 0.000 1.106 1151 H CA -0.696 55.520 56.048 0.279 0.000 1.193 1151 H CB 1.811 31.644 29.762 0.118 0.000 1.594 1151 H HN 0.284 nan 8.280 nan 0.000 0.526 1152 L N 2.933 124.437 121.223 0.468 0.000 2.325 1152 L HA 0.486 4.826 4.340 -0.000 0.000 0.279 1152 L C -0.618 176.342 176.870 0.150 0.000 1.054 1152 L CA -0.475 54.455 54.840 0.150 0.000 0.804 1152 L CB 1.602 43.580 42.059 -0.135 0.000 1.200 1152 L HN 0.484 nan 8.230 nan 0.000 0.436 1153 V N 5.257 125.215 119.914 0.072 0.000 2.462 1153 V HA 0.406 4.526 4.120 -0.000 0.000 0.288 1153 V C -0.472 175.617 176.094 -0.008 0.000 1.020 1153 V CA -0.533 61.799 62.300 0.054 0.000 0.857 1153 V CB 1.646 33.512 31.823 0.073 0.000 1.013 1153 V HN 0.455 nan 8.190 nan 0.000 0.431 1154 L N 4.650 125.828 121.223 -0.074 0.000 2.294 1154 L HA 0.850 5.190 4.340 -0.000 0.000 0.283 1154 L C 0.410 177.284 176.870 0.006 0.000 1.015 1154 L CA -0.373 54.364 54.840 -0.172 0.000 0.831 1154 L CB 1.632 43.307 42.059 -0.640 0.000 1.217 1154 L HN 0.694 nan 8.230 nan 0.000 0.420 1155 A N 2.454 125.362 122.820 0.147 0.000 2.306 1155 A HA 0.876 5.196 4.320 -0.000 0.000 0.330 1155 A C -0.239 177.539 177.584 0.324 0.000 1.146 1155 A CA -0.461 51.700 52.037 0.208 0.000 0.827 1155 A CB 1.869 20.953 19.000 0.141 0.000 1.178 1155 A HN 0.564 nan 8.150 nan 0.000 0.490 1156 T N -0.105 114.597 114.554 0.248 0.000 3.087 1156 T HA 0.347 4.697 4.350 -0.000 0.000 0.351 1156 T C -0.816 173.948 174.700 0.108 0.000 1.520 1156 T CA -0.353 61.848 62.100 0.168 0.000 1.111 1156 T CB 1.210 70.171 68.868 0.154 0.000 1.353 1156 T HN 0.625 nan 8.240 nan 0.000 0.481 1157 Q N 2.094 121.925 119.800 0.052 0.000 2.175 1157 Q HA 0.313 4.653 4.340 -0.000 0.000 0.225 1157 Q C 0.057 176.070 176.000 0.021 0.000 0.837 1157 Q CA -0.040 55.789 55.803 0.044 0.000 1.032 1157 Q CB 0.638 29.394 28.738 0.030 0.000 1.137 1157 Q HN 0.333 nan 8.270 nan 0.000 0.483 1158 R N 0.949 121.450 120.500 0.002 0.000 2.629 1158 R HA 0.249 4.589 4.340 -0.000 0.000 0.277 1158 R C -2.688 173.603 176.300 -0.015 0.000 1.637 1158 R CA -1.622 54.467 56.100 -0.018 0.000 1.663 1158 R CB 0.978 31.246 30.300 -0.053 0.000 1.228 1158 R HN -0.073 nan 8.270 nan 0.000 0.632 1159 P HA -0.035 nan 4.420 nan 0.000 0.259 1159 P C -0.516 176.796 177.300 0.020 0.000 1.635 1159 P CA 0.343 63.465 63.100 0.038 0.000 1.199 1159 P CB 0.364 32.098 31.700 0.057 0.000 1.850 1160 S N -0.043 115.658 115.700 0.002 0.000 2.600 1160 S HA 0.294 4.764 4.470 -0.000 0.000 0.300 1160 S C 0.993 175.596 174.600 0.006 0.000 1.087 1160 S CA -0.786 57.413 58.200 -0.002 0.000 0.965 1160 S CB 1.272 64.461 63.200 -0.019 0.000 1.089 1160 S HN -0.024 nan 8.310 nan 0.000 0.496 1161 V N 1.328 121.248 119.914 0.010 0.000 3.026 1161 V HA -0.113 4.007 4.120 -0.000 0.000 0.265 1161 V C 1.528 177.629 176.094 0.012 0.000 1.121 1161 V CA 1.813 64.123 62.300 0.017 0.000 1.142 1161 V CB -1.030 30.801 31.823 0.013 0.000 0.730 1161 V HN 0.814 nan 8.190 nan 0.000 0.503 1162 D N -0.091 120.306 120.400 -0.004 0.000 2.162 1162 D HA -0.049 4.591 4.640 -0.000 0.000 0.203 1162 D C 2.075 178.357 176.300 -0.031 0.000 0.967 1162 D CA 1.008 54.998 54.000 -0.016 0.000 0.840 1162 D CB 0.144 40.927 40.800 -0.029 0.000 0.972 1162 D HN 0.384 nan 8.370 nan 0.000 0.482 1163 V N 1.120 121.000 119.914 -0.058 0.000 2.326 1163 V HA -0.038 4.082 4.120 -0.000 0.000 0.238 1163 V C 1.263 177.390 176.094 0.054 0.000 1.038 1163 V CA 0.500 62.716 62.300 -0.140 0.000 1.032 1163 V CB 0.091 31.743 31.823 -0.285 0.000 0.675 1163 V HN 0.095 nan 8.190 nan 0.000 0.467 1164 I N 3.457 124.092 120.570 0.108 0.000 2.397 1164 I HA 0.093 4.263 4.170 -0.000 0.000 0.291 1164 I C 1.050 177.235 176.117 0.113 0.000 1.125 1164 I CA 0.315 61.727 61.300 0.187 0.000 1.961 1164 I CB -1.809 36.277 38.000 0.143 0.000 1.508 1164 I HN 0.448 nan 8.210 nan 0.000 0.886 1165 T N -0.474 114.149 114.554 0.114 0.000 2.726 1165 T HA 0.318 4.668 4.350 -0.000 0.000 0.294 1165 T C 1.639 176.375 174.700 0.059 0.000 1.013 1165 T CA -0.031 62.112 62.100 0.071 0.000 0.996 1165 T CB 1.351 70.258 68.868 0.065 0.000 1.016 1165 T HN 0.472 nan 8.240 nan 0.000 0.529 1166 G N -0.164 108.659 108.800 0.039 0.000 2.440 1166 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.218 1166 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.218 1166 G C 1.459 176.375 174.900 0.026 0.000 1.154 1166 G CA 0.676 45.792 45.100 0.028 0.000 0.767 1166 G HN 0.692 nan 8.290 nan 0.000 0.552 1167 L N 0.297 121.537 121.223 0.028 0.000 2.093 1167 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 1167 L C 2.855 179.736 176.870 0.018 0.000 1.085 1167 L CA 0.372 55.224 54.840 0.020 0.000 0.755 1167 L CB -0.410 41.662 42.059 0.021 0.000 0.904 1167 L HN 0.137 nan 8.230 nan 0.000 0.435 1168 I N 0.512 121.104 120.570 0.037 0.000 2.076 1168 I HA -0.297 3.873 4.170 -0.000 0.000 0.237 1168 I C 2.512 178.633 176.117 0.007 0.000 1.059 1168 I CA 1.691 63.005 61.300 0.023 0.000 1.317 1168 I CB -1.090 36.965 38.000 0.091 0.000 1.037 1168 I HN 0.282 nan 8.210 nan 0.000 0.398 1169 K N 1.065 121.482 120.400 0.027 0.000 2.074 1169 K HA -0.177 4.143 4.320 -0.000 0.000 0.209 1169 K C 2.146 178.751 176.600 0.009 0.000 1.048 1169 K CA 1.766 58.063 56.287 0.018 0.000 0.926 1169 K CB -0.394 32.120 32.500 0.024 0.000 0.713 1169 K HN 0.344 nan 8.250 nan 0.000 0.444 1170 A N 1.587 124.412 122.820 0.009 0.000 2.024 1170 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 1170 A C 1.544 179.133 177.584 0.007 0.000 1.164 1170 A CA 1.992 54.033 52.037 0.007 0.000 0.643 1170 A CB -0.463 18.541 19.000 0.007 0.000 0.806 1170 A HN 0.355 nan 8.150 nan 0.000 0.451 1171 N N -1.412 117.290 118.700 0.003 0.000 2.432 1171 N HA 0.178 4.918 4.740 -0.000 0.000 0.174 1171 N C -0.413 175.117 175.510 0.034 0.000 1.037 1171 N CA 0.239 53.294 53.050 0.008 0.000 0.892 1171 N CB 0.249 38.723 38.487 -0.023 0.000 1.049 1171 N HN 0.319 nan 8.380 nan 0.000 0.442 1172 I N 2.818 123.397 120.570 0.015 0.000 2.282 1172 I HA 0.174 4.344 4.170 -0.000 0.000 0.290 1172 I C -1.460 174.673 176.117 0.027 0.000 1.090 1172 I CA -2.078 59.247 61.300 0.042 0.000 1.231 1172 I CB 1.186 39.184 38.000 -0.003 0.000 1.434 1172 I HN 0.023 nan 8.210 nan 0.000 0.487 1173 P HA -0.066 nan 4.420 nan 0.000 0.216 1173 P C 0.440 177.715 177.300 -0.042 0.000 1.153 1173 P CA 0.954 64.051 63.100 -0.005 0.000 0.844 1173 P CB 0.095 31.794 31.700 -0.000 0.000 0.787 1174 T N 2.319 116.855 114.554 -0.031 0.000 2.856 1174 T HA 0.357 4.707 4.350 -0.000 0.000 0.292 1174 T C 0.299 174.962 174.700 -0.062 0.000 0.980 1174 T CA -0.208 61.839 62.100 -0.088 0.000 1.091 1174 T CB 0.671 69.522 68.868 -0.029 0.000 0.936 1174 T HN 0.057 nan 8.240 nan 0.000 0.503 1175 R N 2.562 122.984 120.500 -0.130 0.000 2.621 1175 R HA 0.588 4.928 4.340 -0.000 0.000 0.284 1175 R C -1.141 175.121 176.300 -0.063 0.000 0.998 1175 R CA -0.769 55.294 56.100 -0.061 0.000 0.895 1175 R CB 2.177 32.446 30.300 -0.051 0.000 1.195 1175 R HN 0.513 nan 8.270 nan 0.000 0.450 1176 I N 1.691 122.263 120.570 0.005 0.000 2.418 1176 I HA 0.441 4.611 4.170 -0.000 0.000 0.287 1176 I C -0.483 175.582 176.117 -0.086 0.000 1.008 1176 I CA -0.741 60.538 61.300 -0.036 0.000 1.104 1176 I CB 2.109 40.096 38.000 -0.021 0.000 1.264 1176 I HN 0.656 nan 8.210 nan 0.000 0.438 1177 A N 6.922 129.654 122.820 -0.146 0.000 2.285 1177 A HA 0.714 5.034 4.320 -0.000 0.000 0.310 1177 A C -0.805 176.691 177.584 -0.147 0.000 1.266 1177 A CA -0.330 51.664 52.037 -0.072 0.000 0.832 1177 A CB 0.311 19.301 19.000 -0.016 0.000 1.163 1177 A HN 0.520 nan 8.150 nan 0.000 0.499 1178 F N 0.828 120.815 119.950 0.062 0.000 2.352 1178 F HA 0.318 4.845 4.527 -0.000 0.000 0.304 1178 F C 1.601 177.431 175.800 0.051 0.000 1.215 1178 F CA 0.268 58.304 58.000 0.059 0.000 1.121 1178 F CB 0.598 39.633 39.000 0.058 0.000 1.329 1178 F HN 0.504 nan 8.300 nan 0.000 0.528 1179 T N 2.287 116.999 114.554 0.263 0.000 2.849 1179 T HA 0.339 4.689 4.350 -0.000 0.000 0.289 1179 T C -0.156 174.618 174.700 0.124 0.000 1.010 1179 T CA -0.218 61.973 62.100 0.151 0.000 1.161 1179 T CB -0.338 68.607 68.868 0.128 0.000 0.989 1179 T HN 0.488 nan 8.240 nan 0.000 0.523 1180 V N 0.736 120.703 119.914 0.087 0.000 3.103 1180 V HA 0.673 4.793 4.120 -0.000 0.000 0.318 1180 V C 1.063 177.187 176.094 0.051 0.000 1.114 1180 V CA -0.371 61.970 62.300 0.070 0.000 1.020 1180 V CB 1.771 33.631 31.823 0.061 0.000 1.085 1180 V HN 0.807 nan 8.190 nan 0.000 0.446 1181 S N 0.543 116.267 115.700 0.041 0.000 2.406 1181 S HA 0.111 4.581 4.470 -0.000 0.000 0.224 1181 S C 0.992 175.608 174.600 0.026 0.000 1.030 1181 S CA 0.592 58.811 58.200 0.031 0.000 0.958 1181 S CB -0.471 62.745 63.200 0.026 0.000 0.811 1181 S HN 1.584 nan 8.310 nan 0.000 0.489 1182 S N 0.091 115.806 115.700 0.025 0.000 2.745 1182 S HA 0.561 5.031 4.470 -0.000 0.000 0.306 1182 S C 0.167 174.780 174.600 0.021 0.000 1.137 1182 S CA -1.008 57.205 58.200 0.021 0.000 0.900 1182 S CB 1.644 64.854 63.200 0.017 0.000 1.176 1182 S HN 0.095 nan 8.310 nan 0.000 0.520 1183 K N 0.181 120.591 120.400 0.017 0.000 2.186 1183 K HA 0.145 4.465 4.320 -0.000 0.000 0.202 1183 K C 1.959 178.567 176.600 0.015 0.000 1.052 1183 K CA 1.244 57.540 56.287 0.015 0.000 0.965 1183 K CB -0.547 31.959 32.500 0.011 0.000 0.746 1183 K HN 0.734 nan 8.250 nan 0.000 0.457 1184 I N -0.856 119.723 120.570 0.014 0.000 2.493 1184 I HA -0.196 3.974 4.170 -0.000 0.000 0.254 1184 I C 1.238 177.366 176.117 0.018 0.000 1.160 1184 I CA 1.503 62.812 61.300 0.014 0.000 1.445 1184 I CB -0.140 37.867 38.000 0.012 0.000 1.086 1184 I HN -0.027 nan 8.210 nan 0.000 0.433 1185 D N 0.985 121.398 120.400 0.022 0.000 2.123 1185 D HA -0.153 4.487 4.640 -0.000 0.000 0.200 1185 D C 2.321 178.639 176.300 0.031 0.000 0.976 1185 D CA 1.625 55.642 54.000 0.028 0.000 0.831 1185 D CB 0.073 40.892 40.800 0.032 0.000 0.974 1185 D HN 0.416 nan 8.370 nan 0.000 0.469 1186 S N 0.410 116.126 115.700 0.027 0.000 2.356 1186 S HA -0.139 4.331 4.470 -0.000 0.000 0.223 1186 S C 1.961 176.571 174.600 0.017 0.000 1.032 1186 S CA 0.946 59.161 58.200 0.024 0.000 1.005 1186 S CB 0.077 63.288 63.200 0.019 0.000 0.867 1186 S HN 0.116 nan 8.310 nan 0.000 0.449 1187 R N -0.068 120.440 120.500 0.015 0.000 2.120 1187 R HA -0.035 4.305 4.340 -0.000 0.000 0.234 1187 R C 2.400 178.709 176.300 0.015 0.000 1.123 1187 R CA 1.805 57.911 56.100 0.011 0.000 0.975 1187 R CB -0.664 29.641 30.300 0.010 0.000 0.866 1187 R HN 0.395 nan 8.270 nan 0.000 0.446 1188 T N 1.038 115.605 114.554 0.022 0.000 2.788 1188 T HA -0.061 4.289 4.350 -0.000 0.000 0.268 1188 T C 1.707 176.429 174.700 0.035 0.000 1.044 1188 T CA 0.940 63.057 62.100 0.029 0.000 1.139 1188 T CB 0.025 68.913 68.868 0.033 0.000 0.867 1188 T HN 0.069 nan 8.240 nan 0.000 0.454 1189 I N 0.609 121.200 120.570 0.035 0.000 2.296 1189 I HA 0.097 4.267 4.170 -0.000 0.000 0.242 1189 I C 1.915 178.040 176.117 0.013 0.000 1.087 1189 I CA 1.352 62.674 61.300 0.037 0.000 1.393 1189 I CB -1.029 36.996 38.000 0.042 0.000 1.093 1189 I HN 0.250 nan 8.210 nan 0.000 0.421 1190 L N -0.068 121.156 121.223 0.001 0.000 2.693 1190 L HA 0.210 4.550 4.340 -0.000 0.000 0.235 1190 L C -0.167 176.694 176.870 -0.015 0.000 1.127 1190 L CA -0.006 54.823 54.840 -0.018 0.000 0.914 1190 L CB -0.080 41.962 42.059 -0.027 0.000 1.193 1190 L HN 0.139 nan 8.230 nan 0.000 0.502 1191 D N 1.701 122.099 120.400 -0.004 0.000 2.723 1191 D HA -0.229 4.411 4.640 -0.000 0.000 0.236 1191 D C 0.175 176.472 176.300 -0.006 0.000 1.138 1191 D CA 1.052 55.050 54.000 -0.003 0.000 0.676 1191 D CB -0.559 40.237 40.800 -0.007 0.000 1.069 1191 D HN 0.616 nan 8.370 nan 0.000 0.430 1192 Q N -1.559 118.238 119.800 -0.005 0.000 2.686 1192 Q HA 0.506 4.846 4.340 -0.000 0.000 0.266 1192 Q C -1.709 174.290 176.000 -0.001 0.000 0.965 1192 Q CA -0.334 55.466 55.803 -0.005 0.000 0.894 1192 Q CB 0.973 29.704 28.738 -0.011 0.000 1.583 1192 Q HN 0.077 nan 8.270 nan 0.000 0.405 1193 A N 0.577 123.397 122.820 0.001 0.000 2.259 1193 A HA 0.865 5.185 4.320 -0.000 0.000 0.278 1193 A C 0.942 178.529 177.584 0.005 0.000 1.107 1193 A CA 0.829 52.869 52.037 0.005 0.000 0.828 1193 A CB 0.443 19.446 19.000 0.005 0.000 1.111 1193 A HN 1.604 nan 8.150 nan 0.000 0.498 1194 G N -2.146 106.659 108.800 0.009 0.000 2.905 1194 G HA2 0.123 4.083 3.960 -0.000 0.000 0.196 1194 G HA3 0.123 4.083 3.960 -0.000 0.000 0.196 1194 G C 1.320 176.231 174.900 0.018 0.000 1.044 1194 G CA 0.864 45.971 45.100 0.012 0.000 0.778 1194 G HN 1.730 nan 8.290 nan 0.000 0.474 1195 A N 1.253 124.083 122.820 0.017 0.000 1.972 1195 A HA 0.188 4.508 4.320 -0.000 0.000 0.219 1195 A C 1.811 179.420 177.584 0.041 0.000 1.169 1195 A CA 2.332 54.386 52.037 0.027 0.000 0.635 1195 A CB -0.460 18.556 19.000 0.027 0.000 0.810 1195 A HN 0.897 nan 8.150 nan 0.000 0.446 1196 E N 0.175 120.396 120.200 0.035 0.000 2.485 1196 E HA 0.113 4.463 4.350 -0.000 0.000 0.194 1196 E C 0.708 177.328 176.600 0.034 0.000 1.098 1196 E CA 0.824 57.246 56.400 0.036 0.000 0.878 1196 E CB -0.401 29.316 29.700 0.028 0.000 0.939 1196 E HN 0.289 nan 8.360 nan 0.000 0.503 1197 S N -0.003 115.718 115.700 0.036 0.000 2.663 1197 S HA 0.300 4.770 4.470 -0.000 0.000 0.243 1197 S C 0.112 174.741 174.600 0.048 0.000 1.009 1197 S CA -0.517 57.704 58.200 0.036 0.000 0.988 1197 S CB 0.112 63.330 63.200 0.030 0.000 0.896 1197 S HN 0.176 nan 8.310 nan 0.000 0.502 1198 L N 1.208 122.466 121.223 0.058 0.000 2.399 1198 L HA 0.441 4.781 4.340 -0.000 0.000 0.265 1198 L C 0.575 177.489 176.870 0.073 0.000 1.089 1198 L CA -0.535 54.350 54.840 0.077 0.000 0.802 1198 L CB 0.790 42.905 42.059 0.093 0.000 1.180 1198 L HN 0.172 nan 8.230 nan 0.000 0.454 1199 L N 1.852 123.123 121.223 0.079 0.000 2.737 1199 L HA 0.263 4.603 4.340 -0.000 0.000 0.236 1199 L C 1.118 178.021 176.870 0.055 0.000 1.219 1199 L CA -0.159 54.713 54.840 0.053 0.000 1.021 1199 L CB -1.147 40.932 42.059 0.032 0.000 1.291 1199 L HN 0.950 nan 8.230 nan 0.000 0.470 1200 G N 0.403 109.254 108.800 0.084 0.000 2.682 1200 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.256 1200 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.256 1200 G C 0.347 175.297 174.900 0.082 0.000 1.333 1200 G CA -0.035 45.117 45.100 0.086 0.000 0.904 1200 G HN 0.386 nan 8.290 nan 0.000 0.569 1201 M N -0.732 118.897 119.600 0.049 0.000 2.302 1201 M HA -0.198 4.282 4.480 -0.000 0.000 0.200 1201 M C 1.676 178.028 176.300 0.087 0.000 0.366 1201 M CA 1.824 57.138 55.300 0.024 0.000 0.440 1201 M CB -1.796 30.783 32.600 -0.036 0.000 1.475 1201 M HN 2.899 nan 8.290 nan 0.000 0.905 1202 G N -0.984 107.912 108.800 0.160 0.000 2.194 1202 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.236 1202 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.236 1202 G C -0.174 175.006 174.900 0.467 0.000 0.987 1202 G CA 0.192 45.496 45.100 0.340 0.000 0.635 1202 G HN 0.594 nan 8.290 nan 0.000 0.520 1203 D N 1.495 122.095 120.400 0.333 0.000 2.450 1203 D HA 0.514 5.154 4.640 -0.000 0.000 0.247 1203 D C 0.968 177.391 176.300 0.204 0.000 1.162 1203 D CA 0.858 55.027 54.000 0.281 0.000 0.879 1203 D CB 0.112 41.043 40.800 0.219 0.000 1.163 1203 D HN 0.717 nan 8.370 nan 0.000 0.472 1204 M N 1.318 120.931 119.600 0.021 0.000 2.683 1204 M HA 0.498 4.978 4.480 -0.000 0.000 0.274 1204 M C -1.659 174.552 176.300 -0.148 0.000 1.272 1204 M CA -1.057 54.111 55.300 -0.220 0.000 0.833 1204 M CB 1.778 33.957 32.600 -0.702 0.000 1.708 1204 M HN 0.057 nan 8.290 nan 0.000 0.463 1205 L N 2.357 123.486 121.223 -0.157 0.000 2.345 1205 L HA 0.492 4.832 4.340 -0.000 0.000 0.274 1205 L C -1.680 175.167 176.870 -0.039 0.000 0.999 1205 L CA -0.716 54.082 54.840 -0.071 0.000 0.849 1205 L CB 1.504 43.533 42.059 -0.050 0.000 1.220 1205 L HN 0.693 nan 8.230 nan 0.000 0.422 1206 Y N 3.085 123.303 120.300 -0.136 0.000 2.313 1206 Y HA 0.343 4.893 4.550 -0.000 0.000 0.332 1206 Y C 0.089 175.947 175.900 -0.071 0.000 1.071 1206 Y CA -0.179 57.855 58.100 -0.110 0.000 1.169 1206 Y CB 1.664 40.066 38.460 -0.098 0.000 1.192 1206 Y HN 0.433 nan 8.280 nan 0.000 0.487 1207 S N 5.416 120.782 115.700 -0.556 0.000 2.718 1207 S HA 0.593 5.063 4.470 -0.000 0.000 0.294 1207 S C 0.021 174.249 174.600 -0.620 0.000 1.157 1207 S CA -0.294 57.632 58.200 -0.456 0.000 1.121 1207 S CB -0.369 62.695 63.200 -0.227 0.000 1.015 1207 S HN 1.127 nan 8.310 nan 0.000 0.479 1208 G N 4.149 112.578 108.800 -0.618 0.000 2.616 1208 G HA2 0.405 4.365 3.960 -0.000 0.000 0.268 1208 G HA3 0.405 4.365 3.960 -0.000 0.000 0.268 1208 G C -1.414 173.368 174.900 -0.198 0.000 1.213 1208 G CA -1.086 43.767 45.100 -0.412 0.000 0.926 1208 G HN 0.536 nan 8.290 nan 0.000 0.523 1209 P HA -0.013 nan 4.420 nan 0.000 0.228 1209 P C 0.551 177.824 177.300 -0.046 0.000 1.166 1209 P CA 0.630 63.691 63.100 -0.066 0.000 0.812 1209 P CB 0.466 32.143 31.700 -0.039 0.000 0.857 1210 N N -0.152 118.524 118.700 -0.039 0.000 2.346 1210 N HA 0.170 4.910 4.740 -0.000 0.000 0.225 1210 N C -0.244 175.250 175.510 -0.026 0.000 1.144 1210 N CA -0.096 52.940 53.050 -0.023 0.000 0.837 1210 N CB 0.166 38.647 38.487 -0.010 0.000 1.069 1210 N HN -0.005 nan 8.380 nan 0.000 0.487 1211 S N -1.385 114.290 115.700 -0.041 0.000 2.578 1211 S HA 0.147 4.617 4.470 -0.000 0.000 0.285 1211 S C 0.189 174.759 174.600 -0.049 0.000 1.126 1211 S CA -0.619 57.558 58.200 -0.038 0.000 0.878 1211 S CB 1.168 64.349 63.200 -0.033 0.000 1.091 1211 S HN 0.034 nan 8.310 nan 0.000 0.450 1212 T N 3.324 117.855 114.554 -0.037 0.000 3.081 1212 T HA 0.293 4.643 4.350 -0.000 0.000 0.250 1212 T C 0.314 174.992 174.700 -0.038 0.000 1.100 1212 T CA 0.353 62.430 62.100 -0.037 0.000 1.038 1212 T CB -0.274 68.578 68.868 -0.026 0.000 0.962 1212 T HN 0.462 nan 8.240 nan 0.000 0.516 1213 L N 3.931 125.134 121.223 -0.035 0.000 2.265 1213 L HA 0.388 4.728 4.340 -0.000 0.000 0.288 1213 L C -2.129 174.719 176.870 -0.038 0.000 1.058 1213 L CA -2.127 52.696 54.840 -0.028 0.000 0.809 1213 L CB 0.519 42.568 42.059 -0.017 0.000 1.179 1213 L HN -0.078 nan 8.230 nan 0.000 0.429 1214 P HA 0.207 nan 4.420 nan 0.000 0.278 1214 P C -0.866 176.427 177.300 -0.012 0.000 1.238 1214 P CA -0.365 62.708 63.100 -0.045 0.000 0.794 1214 P CB 1.973 33.646 31.700 -0.045 0.000 0.955 1215 V N 3.465 123.390 119.914 0.019 0.000 2.384 1215 V HA 0.327 4.447 4.120 -0.000 0.000 0.287 1215 V C 0.947 177.050 176.094 0.016 0.000 1.020 1215 V CA -0.790 61.532 62.300 0.037 0.000 0.850 1215 V CB 1.087 32.966 31.823 0.093 0.000 0.987 1215 V HN 0.578 nan 8.190 nan 0.000 0.436 1216 R N 3.613 124.092 120.500 -0.034 0.000 2.643 1216 R HA 0.576 4.916 4.340 -0.000 0.000 0.270 1216 R C -1.224 174.974 176.300 -0.170 0.000 1.061 1216 R CA 0.043 56.089 56.100 -0.089 0.000 1.107 1216 R CB 0.904 31.149 30.300 -0.091 0.000 0.999 1216 R HN 0.531 nan 8.270 nan 0.000 0.460 1217 V N 3.834 123.610 119.914 -0.229 0.000 2.924 1217 V HA 0.190 4.309 4.120 -0.000 0.000 0.300 1217 V C -1.242 174.710 176.094 -0.238 0.000 1.227 1217 V CA -0.971 61.166 62.300 -0.273 0.000 0.954 1217 V CB 1.951 33.681 31.823 -0.155 0.000 1.055 1217 V HN 0.833 nan 8.190 nan 0.000 0.429 1218 H N 2.736 121.821 119.070 0.025 0.000 2.761 1218 H HA 0.416 4.972 4.556 -0.000 0.000 0.284 1218 H C 0.702 176.073 175.328 0.072 0.000 1.105 1218 H CA -0.026 56.054 56.048 0.053 0.000 1.352 1218 H CB 1.422 31.209 29.762 0.040 0.000 1.423 1218 H HN 0.877 nan 8.280 nan 0.000 0.464 1219 G N 2.005 110.945 108.800 0.234 0.000 2.353 1219 G HA2 0.267 4.227 3.960 -0.000 0.000 0.239 1219 G HA3 0.267 4.227 3.960 -0.000 0.000 0.239 1219 G C 0.371 175.373 174.900 0.171 0.000 1.295 1219 G CA -0.111 45.125 45.100 0.227 0.000 0.884 1219 G HN 0.796 nan 8.290 nan 0.000 0.537 1220 A N 1.734 124.623 122.820 0.116 0.000 2.466 1220 A HA 0.506 4.826 4.320 -0.000 0.000 0.238 1220 A C -0.407 177.244 177.584 0.111 0.000 1.074 1220 A CA -0.153 51.934 52.037 0.084 0.000 0.774 1220 A CB 0.358 19.372 19.000 0.024 0.000 1.015 1220 A HN 0.855 nan 8.150 nan 0.000 0.498 1221 F N 1.915 121.807 119.950 -0.096 0.000 2.450 1221 F HA 0.577 5.104 4.527 0.000 0.000 0.332 1221 F C -0.324 175.414 175.800 -0.103 0.000 1.093 1221 F CA -0.801 57.124 58.000 -0.125 0.000 1.003 1221 F CB 1.808 40.676 39.000 -0.221 0.000 1.151 1221 F HN 0.470 nan 8.300 nan 0.000 0.474 1222 V N 7.350 126.664 119.914 -1.000 0.000 2.612 1222 V HA 0.504 4.624 4.120 -0.000 0.000 0.301 1222 V C -0.738 174.786 176.094 -0.949 0.000 1.059 1222 V CA -0.716 61.136 62.300 -0.746 0.000 0.886 1222 V CB 1.492 33.128 31.823 -0.312 0.000 1.007 1222 V HN 0.885 nan 8.190 nan 0.000 0.426 1223 R N 4.030 124.105 120.500 -0.709 0.000 2.643 1223 R HA 0.178 4.518 4.340 -0.000 0.000 0.270 1223 R C 0.529 176.704 176.300 -0.208 0.000 1.061 1223 R CA -0.160 55.704 56.100 -0.393 0.000 1.107 1223 R CB 0.493 30.717 30.300 -0.126 0.000 0.999 1223 R HN 0.741 nan 8.270 nan 0.000 0.460 1224 D N 1.232 121.559 120.400 -0.122 0.000 2.182 1224 D HA -0.166 4.474 4.640 -0.000 0.000 0.201 1224 D C 1.675 177.985 176.300 0.017 0.000 0.986 1224 D CA 1.354 55.330 54.000 -0.039 0.000 0.847 1224 D CB 0.151 40.936 40.800 -0.026 0.000 0.942 1224 D HN 0.414 nan 8.370 nan 0.000 0.467 1225 Q N 0.805 120.567 119.800 -0.063 0.000 2.230 1225 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 1225 Q C 1.557 177.568 176.000 0.019 0.000 0.963 1225 Q CA 1.149 56.907 55.803 -0.075 0.000 0.866 1225 Q CB -0.000 28.687 28.738 -0.085 0.000 0.931 1225 Q HN 0.355 nan 8.270 nan 0.000 0.452 1226 E N -1.134 119.068 120.200 0.004 0.000 2.152 1226 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 1226 E C 1.834 178.467 176.600 0.056 0.000 0.983 1226 E CA 1.091 57.508 56.400 0.028 0.000 0.818 1226 E CB 0.168 29.864 29.700 -0.006 0.000 0.758 1226 E HN 0.171 nan 8.360 nan 0.000 0.467 1227 V N 0.929 120.864 119.914 0.036 0.000 2.427 1227 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 1227 V C 1.791 177.854 176.094 -0.051 0.000 1.051 1227 V CA 1.948 64.237 62.300 -0.018 0.000 1.048 1227 V CB -0.603 31.153 31.823 -0.111 0.000 0.666 1227 V HN 0.252 nan 8.190 nan 0.000 0.456 1228 H N 0.373 119.380 119.070 -0.105 0.000 2.389 1228 H HA 0.035 4.591 4.556 -0.000 0.000 0.299 1228 H C 2.261 177.570 175.328 -0.032 0.000 1.081 1228 H CA 1.554 57.551 56.048 -0.085 0.000 1.345 1228 H CB -0.470 29.251 29.762 -0.069 0.000 1.393 1228 H HN 0.428 nan 8.280 nan 0.000 0.520 1229 A N 0.172 123.061 122.820 0.116 0.000 1.877 1229 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 1229 A C 2.589 180.215 177.584 0.069 0.000 1.186 1229 A CA 1.760 53.844 52.037 0.078 0.000 0.620 1229 A CB -0.865 18.177 19.000 0.069 0.000 0.822 1229 A HN 0.246 nan 8.150 nan 0.000 0.443 1230 V N -0.382 119.586 119.914 0.089 0.000 2.358 1230 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 1230 V C 2.593 178.791 176.094 0.174 0.000 1.047 1230 V CA 1.902 64.270 62.300 0.114 0.000 1.035 1230 V CB -0.717 31.211 31.823 0.174 0.000 0.658 1230 V HN 0.364 nan 8.190 nan 0.000 0.452 1231 V N -0.577 119.402 119.914 0.108 0.000 2.287 1231 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 1231 V C 2.609 178.780 176.094 0.128 0.000 1.053 1231 V CA 1.917 64.281 62.300 0.106 0.000 1.027 1231 V CB -0.654 31.105 31.823 -0.106 0.000 0.646 1231 V HN 0.502 nan 8.190 nan 0.000 0.447 1232 Q N -0.264 119.578 119.800 0.070 0.000 2.050 1232 Q HA -0.258 4.082 4.340 -0.000 0.000 0.202 1232 Q C 2.106 178.148 176.000 0.070 0.000 0.980 1232 Q CA 2.307 58.148 55.803 0.064 0.000 0.840 1232 Q CB -0.573 28.195 28.738 0.050 0.000 0.898 1232 Q HN 0.822 nan 8.270 nan 0.000 0.424 1233 D N -0.987 119.442 120.400 0.048 0.000 2.123 1233 D HA -0.191 4.449 4.640 -0.000 0.000 0.196 1233 D C 1.631 177.915 176.300 -0.026 0.000 0.992 1233 D CA 1.300 55.284 54.000 -0.027 0.000 0.833 1233 D CB -0.157 40.583 40.800 -0.101 0.000 0.954 1233 D HN 0.265 nan 8.370 nan 0.000 0.455 1234 W N 0.629 121.936 121.300 0.012 0.000 2.418 1234 W HA 0.043 4.703 4.660 -0.000 0.000 0.292 1234 W C 2.357 178.894 176.519 0.031 0.000 1.213 1234 W CA 0.537 57.908 57.345 0.043 0.000 1.283 1234 W CB 0.110 29.640 29.460 0.116 0.000 1.119 1234 W HN -0.088 nan 8.180 nan 0.000 0.542 1235 K N -0.100 120.467 120.400 0.279 0.000 2.209 1235 K HA -0.126 4.194 4.320 -0.000 0.000 0.204 1235 K C 2.076 178.738 176.600 0.103 0.000 1.048 1235 K CA 1.184 57.568 56.287 0.162 0.000 0.940 1235 K CB -0.436 32.127 32.500 0.104 0.000 0.729 1235 K HN 0.114 nan 8.250 nan 0.000 0.451 1236 A N 1.664 124.530 122.820 0.078 0.000 2.015 1236 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 1236 A C 1.861 179.462 177.584 0.027 0.000 1.163 1236 A CA 1.022 53.078 52.037 0.031 0.000 0.646 1236 A CB -0.240 18.760 19.000 0.000 0.000 0.806 1236 A HN 0.216 nan 8.150 nan 0.000 0.448 1237 R N -0.904 119.628 120.500 0.054 0.000 2.276 1237 R HA 0.267 4.607 4.340 -0.000 0.000 0.203 1237 R C 0.710 177.052 176.300 0.071 0.000 1.017 1237 R CA 0.555 56.685 56.100 0.050 0.000 1.010 1237 R CB -0.059 30.272 30.300 0.053 0.000 0.900 1237 R HN 0.543 nan 8.270 nan 0.000 0.469 1238 G N 1.033 109.878 108.800 0.074 0.000 2.345 1238 G HA2 0.011 3.971 3.960 -0.000 0.000 0.310 1238 G HA3 0.011 3.971 3.960 -0.000 0.000 0.310 1238 G C -1.594 173.313 174.900 0.012 0.000 1.476 1238 G CA -1.222 43.897 45.100 0.032 0.000 0.978 1238 G HN 0.186 nan 8.290 nan 0.000 0.656 1239 R N 0.600 121.075 120.500 -0.041 0.000 2.540 1239 R HA 0.741 5.080 4.340 -0.000 0.000 0.287 1239 R C -2.376 173.817 176.300 -0.179 0.000 0.980 1239 R CA -1.652 54.391 56.100 -0.095 0.000 0.966 1239 R CB 1.646 31.882 30.300 -0.107 0.000 1.106 1239 R HN 0.441 nan 8.270 nan 0.000 0.480 1240 P HA -0.104 nan 4.420 nan 0.000 0.264 1240 P C -0.922 176.094 177.300 -0.473 0.000 1.183 1240 P CA -0.027 62.847 63.100 -0.377 0.000 0.763 1240 P CB 0.751 32.168 31.700 -0.473 0.000 0.807 1241 Q N 3.265 122.910 119.800 -0.258 0.000 2.810 1241 Q HA 0.186 4.526 4.340 -0.000 0.000 0.236 1241 Q C -0.733 175.234 176.000 -0.055 0.000 1.278 1241 Q CA -0.554 55.154 55.803 -0.158 0.000 1.065 1241 Q CB -1.166 27.521 28.738 -0.084 0.000 1.364 1241 Q HN 0.335 nan 8.270 nan 0.000 0.570 1242 Y N 0.659 120.932 120.300 -0.045 0.000 2.903 1242 Y HA -0.004 4.546 4.550 0.000 0.000 0.338 1242 Y C 0.407 176.260 175.900 -0.078 0.000 1.265 1242 Y CA -0.558 57.502 58.100 -0.067 0.000 1.532 1242 Y CB 0.612 39.036 38.460 -0.061 0.000 1.293 1242 Y HN 0.133 nan 8.280 nan 0.000 0.609 1243 V N 3.978 123.923 119.914 0.052 0.000 2.439 1243 V HA 0.054 4.174 4.120 -0.000 0.000 0.282 1243 V C -0.012 176.024 176.094 -0.097 0.000 1.039 1243 V CA -0.790 61.484 62.300 -0.043 0.000 0.913 1243 V CB 1.359 33.100 31.823 -0.137 0.000 0.983 1243 V HN 0.668 nan 8.190 nan 0.000 0.460 1244 D N 2.855 123.238 120.400 -0.029 0.000 2.345 1244 D HA 0.441 5.081 4.640 -0.000 0.000 0.247 1244 D C 1.125 177.406 176.300 -0.033 0.000 1.108 1244 D CA 1.527 55.511 54.000 -0.027 0.000 0.894 1244 D CB 1.492 42.304 40.800 0.020 0.000 1.203 1244 D HN 0.896 nan 8.370 nan 0.000 0.430 1245 G N 2.344 111.118 108.800 -0.044 0.000 2.179 1245 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 1245 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 1245 G C 1.396 176.272 174.900 -0.039 0.000 0.977 1245 G CA 0.424 45.524 45.100 -0.001 0.000 0.641 1245 G HN 0.561 nan 8.290 nan 0.000 0.533 1246 I N 0.342 120.752 120.570 -0.267 0.000 2.208 1246 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 1246 I C 2.688 178.728 176.117 -0.130 0.000 1.097 1246 I CA 2.086 63.124 61.300 -0.437 0.000 1.363 1246 I CB -0.305 37.240 38.000 -0.759 0.000 1.051 1246 I HN 0.268 nan 8.210 nan 0.000 0.413 1247 T N -0.656 113.826 114.554 -0.120 0.000 3.057 1247 T HA -0.009 4.341 4.350 -0.000 0.000 0.254 1247 T C 1.863 176.552 174.700 -0.018 0.000 1.094 1247 T CA 1.095 63.158 62.100 -0.061 0.000 1.088 1247 T CB 0.111 68.926 68.868 -0.090 0.000 0.934 1247 T HN 0.504 nan 8.240 nan 0.000 0.497 1248 S N 0.555 116.250 115.700 -0.009 0.000 2.433 1248 S HA 0.489 4.959 4.470 -0.000 0.000 0.216 1248 S C 0.784 175.407 174.600 0.038 0.000 1.031 1248 S CA 0.678 58.884 58.200 0.011 0.000 0.931 1248 S CB -0.251 62.952 63.200 0.005 0.000 0.875 1248 S HN 0.596 nan 8.310 nan 0.000 0.553 1249 D N 0.000 120.436 120.400 0.059 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