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_C DATA FIRST_RESID 840 DATA SEQUENCE LPSLDLLTPP XXXXXXXXTF ALEQMARLVE ARLADFRIKA DVVNYSPGPV DATA SEQUENCE ITRFELNLAP GVKAARISNL SRDLARSLST VAVRVVEVIP GKPYVGLELP DATA SEQUENCE NKKRQTVYLR EVLDNAKFRD NPSPLTVVLG KDIAGEPVVA DLAKMPHLLV DATA SEQUENCE AGTTGSGASV GVNAMILSML YKAQPEDVRF IMIDPKMLEL SVYEGIPHLL DATA SEQUENCE TEVVTDMKDA ANALRWCVNE MERRYKLMSA LGVRNLAGYN EKIAEADRMM DATA SEQUENCE RPIPDPYWXX XXXXXXXHPV LKKEPYIVVL VDEFADLMMT VGKKVEELIA DATA SEQUENCE RLAQKARAAG IHLVLATQRP SVDVITGLIK ANIPTRIAFT VSSKIDSRTI DATA SEQUENCE LDQAGAESLL GMGDMLYSGP NSTLPVRVHG AFVRDQEVHA VVQDWKARGR DATA SEQUENCE PQYVDGITSD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 840 L HA 0.000 nan 4.340 nan 0.000 0.249 840 L C 0.000 176.708 176.870 -0.271 0.000 1.165 840 L CA 0.000 54.745 54.840 -0.159 0.000 0.813 840 L CB 0.000 42.088 42.059 0.049 0.000 0.961 841 P HA 0.076 nan 4.420 nan 0.000 0.270 841 P C -0.553 176.634 177.300 -0.188 0.000 1.223 841 P CA -0.086 62.768 63.100 -0.411 0.000 0.785 841 P CB 1.203 32.549 31.700 -0.590 0.000 0.923 842 S N 0.302 115.969 115.700 -0.056 0.000 2.610 842 S HA 0.201 4.671 4.470 0.000 0.000 0.273 842 S C 1.370 176.113 174.600 0.239 0.000 1.274 842 S CA -0.750 57.499 58.200 0.083 0.000 1.023 842 S CB 0.015 63.235 63.200 0.034 0.000 0.962 842 S HN 0.376 nan 8.310 nan 0.000 0.523 843 L N 2.109 123.471 121.223 0.232 0.000 2.622 843 L HA 0.023 4.363 4.340 0.000 0.000 0.233 843 L C 1.150 178.078 176.870 0.096 0.000 1.156 843 L CA 0.526 55.472 54.840 0.177 0.000 0.866 843 L CB -0.468 41.636 42.059 0.074 0.000 0.980 843 L HN 0.710 nan 8.230 nan 0.000 0.448 844 D N -0.687 119.763 120.400 0.083 0.000 2.349 844 D HA -0.087 4.553 4.640 0.000 0.000 0.224 844 D C 1.597 177.930 176.300 0.055 0.000 1.029 844 D CA 0.395 54.423 54.000 0.047 0.000 0.879 844 D CB -0.162 40.655 40.800 0.029 0.000 0.906 844 D HN 0.288 nan 8.370 nan 0.000 0.528 845 L N -0.612 120.667 121.223 0.094 0.000 2.592 845 L HA 0.266 4.606 4.340 0.000 0.000 0.227 845 L C 0.238 177.165 176.870 0.095 0.000 1.127 845 L CA 0.132 55.028 54.840 0.094 0.000 0.884 845 L CB 0.019 42.152 42.059 0.124 0.000 1.065 845 L HN -0.005 nan 8.230 nan 0.000 0.457 846 L N -0.854 120.415 121.223 0.076 0.000 2.386 846 L HA 0.334 4.674 4.340 0.000 0.000 0.271 846 L C 0.340 177.227 176.870 0.028 0.000 0.993 846 L CA -0.550 54.318 54.840 0.048 0.000 0.819 846 L CB 2.168 44.230 42.059 0.006 0.000 1.294 846 L HN -0.169 nan 8.230 nan 0.000 0.414 847 T N 2.284 116.870 114.554 0.052 0.000 2.928 847 T HA 0.222 4.573 4.350 0.000 0.000 0.305 847 T C -2.397 172.239 174.700 -0.106 0.000 1.035 847 T CA -0.604 61.503 62.100 0.011 0.000 1.145 847 T CB 0.605 69.535 68.868 0.103 0.000 0.963 847 T HN 0.235 nan 8.240 nan 0.000 0.545 848 P HA 0.356 nan 4.420 nan 0.000 0.284 848 P C -2.045 174.941 177.300 -0.523 0.000 1.253 848 P CA -1.450 61.501 63.100 -0.249 0.000 0.800 848 P CB 0.130 31.741 31.700 -0.149 0.000 0.961 859 F N 3.851 123.816 119.950 0.024 0.000 2.051 859 F HA 0.376 4.903 4.527 0.000 0.000 0.296 859 F C 2.649 178.448 175.800 -0.002 0.000 1.122 859 F CA 2.111 60.122 58.000 0.019 0.000 1.201 859 F CB -0.913 38.097 39.000 0.016 0.000 0.978 859 F HN 0.346 nan 8.300 nan 0.000 0.472 860 A N 0.746 123.469 122.820 -0.162 0.000 2.032 860 A HA -0.164 4.156 4.320 0.000 0.000 0.221 860 A C 2.324 179.758 177.584 -0.250 0.000 1.165 860 A CA 1.937 53.815 52.037 -0.264 0.000 0.645 860 A CB -1.193 17.766 19.000 -0.067 0.000 0.807 860 A HN 0.559 nan 8.150 nan 0.000 0.453 861 L N -1.487 119.606 121.223 -0.216 0.000 1.971 861 L HA -0.161 4.179 4.340 0.000 0.000 0.208 861 L C 2.606 179.303 176.870 -0.289 0.000 1.083 861 L CA 1.753 56.413 54.840 -0.300 0.000 0.753 861 L CB -0.812 40.893 42.059 -0.590 0.000 0.893 861 L HN 0.470 nan 8.230 nan 0.000 0.436 862 E N -0.427 119.627 120.200 -0.244 0.000 2.187 862 E HA -0.285 4.066 4.350 0.000 0.000 0.199 862 E C 2.289 178.824 176.600 -0.109 0.000 1.004 862 E CA 1.257 57.638 56.400 -0.033 0.000 0.813 862 E CB 0.136 29.903 29.700 0.112 0.000 0.736 862 E HN 0.355 nan 8.360 nan 0.000 0.468 863 Q N -0.299 119.338 119.800 -0.272 0.000 2.050 863 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 863 Q C 2.133 178.003 176.000 -0.217 0.000 0.980 863 Q CA 1.396 57.020 55.803 -0.298 0.000 0.840 863 Q CB -0.307 28.114 28.738 -0.529 0.000 0.898 863 Q HN 0.339 nan 8.270 nan 0.000 0.424 864 M N 0.405 119.870 119.600 -0.226 0.000 2.175 864 M HA -0.027 4.453 4.480 0.000 0.000 0.264 864 M C 1.844 177.922 176.300 -0.369 0.000 1.063 864 M CA 1.651 56.799 55.300 -0.253 0.000 1.119 864 M CB -0.516 31.960 32.600 -0.206 0.000 1.377 864 M HN 0.112 nan 8.290 nan 0.000 0.415 865 A N -0.359 122.293 122.820 -0.280 0.000 1.969 865 A HA -0.147 4.173 4.320 0.000 0.000 0.218 865 A C 2.368 179.870 177.584 -0.136 0.000 1.169 865 A CA 1.746 53.645 52.037 -0.230 0.000 0.635 865 A CB -0.674 18.448 19.000 0.204 0.000 0.810 865 A HN 0.585 nan 8.150 nan 0.000 0.445 866 R N -0.670 119.771 120.500 -0.098 0.000 2.119 866 R HA 0.117 4.457 4.340 0.000 0.000 0.222 866 R C 1.796 178.045 176.300 -0.085 0.000 1.088 866 R CA 0.810 56.872 56.100 -0.065 0.000 0.984 866 R CB -0.227 30.046 30.300 -0.046 0.000 0.884 866 R HN 0.532 nan 8.270 nan 0.000 0.447 867 L N -0.301 120.847 121.223 -0.124 0.000 2.179 867 L HA -0.080 4.260 4.340 0.000 0.000 0.208 867 L C 2.169 178.968 176.870 -0.118 0.000 1.096 867 L CA 0.533 55.307 54.840 -0.109 0.000 0.779 867 L CB -0.137 41.849 42.059 -0.120 0.000 0.922 867 L HN 0.043 nan 8.230 nan 0.000 0.443 868 V N 0.005 119.804 119.914 -0.191 0.000 2.358 868 V HA -0.277 3.843 4.120 0.000 0.000 0.246 868 V C 2.408 178.431 176.094 -0.118 0.000 1.047 868 V CA 1.902 64.081 62.300 -0.201 0.000 1.035 868 V CB -0.366 31.241 31.823 -0.360 0.000 0.658 868 V HN 0.480 nan 8.190 nan 0.000 0.452 869 E N -0.021 120.121 120.200 -0.098 0.000 2.204 869 E HA -0.161 4.189 4.350 0.000 0.000 0.194 869 E C 2.140 178.728 176.600 -0.020 0.000 0.989 869 E CA 1.093 57.464 56.400 -0.048 0.000 0.824 869 E CB -0.104 29.576 29.700 -0.033 0.000 0.756 869 E HN 0.596 nan 8.360 nan 0.000 0.477 870 A N 0.851 123.657 122.820 -0.024 0.000 1.903 870 A HA -0.042 4.278 4.320 0.000 0.000 0.213 870 A C 2.060 179.665 177.584 0.036 0.000 1.185 870 A CA 0.524 52.562 52.037 0.001 0.000 0.628 870 A CB -0.109 18.883 19.000 -0.013 0.000 0.830 870 A HN 0.053 nan 8.150 nan 0.000 0.446 871 R N -0.063 120.457 120.500 0.033 0.000 2.090 871 R HA 0.058 4.398 4.340 0.000 0.000 0.228 871 R C 1.997 178.415 176.300 0.197 0.000 1.110 871 R CA 0.908 57.076 56.100 0.113 0.000 0.973 871 R CB -1.052 29.285 30.300 0.061 0.000 0.869 871 R HN 0.558 nan 8.270 nan 0.000 0.440 872 L N 0.226 121.484 121.223 0.059 0.000 2.005 872 L HA -0.072 4.268 4.340 0.000 0.000 0.207 872 L C 2.411 179.360 176.870 0.131 0.000 1.072 872 L CA 1.409 56.258 54.840 0.014 0.000 0.744 872 L CB -0.633 41.400 42.059 -0.044 0.000 0.895 872 L HN 0.119 nan 8.230 nan 0.000 0.433 873 A N -0.897 121.981 122.820 0.096 0.000 2.216 873 A HA -0.219 4.101 4.320 0.000 0.000 0.214 873 A C 1.790 179.450 177.584 0.127 0.000 1.160 873 A CA 1.427 53.519 52.037 0.092 0.000 0.725 873 A CB -0.499 18.528 19.000 0.045 0.000 0.784 873 A HN 0.373 nan 8.150 nan 0.000 0.472 874 D N -1.567 118.954 120.400 0.202 0.000 2.371 874 D HA 0.055 4.696 4.640 0.000 0.000 0.221 874 D C 0.043 176.344 176.300 0.002 0.000 0.986 874 D CA 0.549 54.611 54.000 0.103 0.000 0.899 874 D CB -0.029 40.832 40.800 0.101 0.000 0.902 874 D HN 0.313 nan 8.370 nan 0.000 0.530 875 F N -1.020 118.922 119.950 -0.014 0.000 2.746 875 F HA 0.419 4.947 4.527 0.000 0.000 0.378 875 F C 1.184 176.980 175.800 -0.008 0.000 1.165 875 F CA -1.161 56.833 58.000 -0.010 0.000 1.089 875 F CB 0.214 39.208 39.000 -0.010 0.000 1.439 875 F HN -0.502 nan 8.300 nan 0.000 0.516 876 R N 1.046 121.677 120.500 0.219 0.000 2.823 876 R HA 0.349 4.689 4.340 0.000 0.000 0.250 876 R C -1.251 175.105 176.300 0.093 0.000 1.332 876 R CA 0.369 56.536 56.100 0.112 0.000 1.259 876 R CB -1.622 28.727 30.300 0.081 0.000 1.225 876 R HN 0.492 nan 8.270 nan 0.000 0.545 877 I N 1.018 121.654 120.570 0.110 0.000 2.390 877 I HA 0.265 4.435 4.170 0.000 0.000 0.283 877 I C -0.065 176.076 176.117 0.040 0.000 1.016 877 I CA -0.771 60.559 61.300 0.049 0.000 1.151 877 I CB 1.456 39.453 38.000 -0.005 0.000 1.293 877 I HN -0.070 nan 8.210 nan 0.000 0.458 878 K N 6.094 126.510 120.400 0.027 0.000 2.240 878 K HA 0.834 5.154 4.320 0.000 0.000 0.271 878 K C -1.259 175.345 176.600 0.007 0.000 1.018 878 K CA -0.225 56.074 56.287 0.019 0.000 0.874 878 K CB 1.818 34.329 32.500 0.019 0.000 1.098 878 K HN 0.768 nan 8.250 nan 0.000 0.458 879 A N 3.860 126.679 122.820 -0.001 0.000 2.594 879 A HA 0.486 4.806 4.320 0.000 0.000 0.295 879 A C -1.794 175.778 177.584 -0.020 0.000 1.071 879 A CA -0.879 51.151 52.037 -0.012 0.000 0.685 879 A CB 1.310 20.300 19.000 -0.016 0.000 1.285 879 A HN 0.663 nan 8.150 nan 0.000 0.405 880 D N 0.778 121.155 120.400 -0.038 0.000 2.278 880 D HA 0.447 5.088 4.640 0.000 0.000 0.245 880 D C -0.475 175.790 176.300 -0.058 0.000 1.052 880 D CA -0.171 53.802 54.000 -0.044 0.000 0.834 880 D CB 1.984 42.749 40.800 -0.058 0.000 1.194 880 D HN 0.150 nan 8.370 nan 0.000 0.481 881 V N 3.115 123.023 119.914 -0.009 0.000 2.229 881 V HA -0.012 4.108 4.120 0.000 0.000 0.245 881 V C 1.836 177.933 176.094 0.004 0.000 1.243 881 V CA -0.172 62.158 62.300 0.051 0.000 1.176 881 V CB 0.215 32.137 31.823 0.165 0.000 1.323 881 V HN 0.529 nan 8.190 nan 0.000 0.499 882 V N 1.433 121.265 119.914 -0.138 0.000 2.759 882 V HA 0.037 4.157 4.120 0.000 0.000 0.256 882 V C 0.745 176.741 176.094 -0.163 0.000 1.080 882 V CA 1.543 63.718 62.300 -0.209 0.000 1.101 882 V CB -0.831 30.697 31.823 -0.491 0.000 0.698 882 V HN 0.874 nan 8.190 nan 0.000 0.477 883 N N -1.088 117.542 118.700 -0.117 0.000 3.227 883 N HA 0.452 5.193 4.740 0.000 0.000 0.241 883 N C -2.199 173.241 175.510 -0.118 0.000 1.480 883 N CA -0.205 52.716 53.050 -0.215 0.000 0.886 883 N CB 1.876 40.282 38.487 -0.134 0.000 1.406 883 N HN 0.326 nan 8.380 nan 0.000 0.514 884 Y N -1.162 119.072 120.300 -0.110 0.000 2.521 884 Y HA 0.519 5.069 4.550 0.000 0.000 0.328 884 Y C -1.749 174.010 175.900 -0.236 0.000 1.151 884 Y CA -1.150 56.769 58.100 -0.300 0.000 1.054 884 Y CB 0.744 38.801 38.460 -0.670 0.000 1.338 884 Y HN 0.358 nan 8.280 nan 0.000 0.453 885 S N 2.618 118.302 115.700 -0.027 0.000 2.659 885 S HA 0.687 5.157 4.470 0.000 0.000 0.312 885 S C -3.213 171.366 174.600 -0.035 0.000 1.114 885 S CA -1.471 56.725 58.200 -0.007 0.000 1.063 885 S CB 2.165 65.356 63.200 -0.014 0.000 0.996 885 S HN 0.607 nan 8.310 nan 0.000 0.478 886 P HA 0.472 nan 4.420 nan 0.000 0.286 886 P C 0.115 177.416 177.300 0.002 0.000 1.269 886 P CA 0.046 63.130 63.100 -0.028 0.000 0.787 886 P CB 1.417 33.106 31.700 -0.020 0.000 0.920 887 G N 2.887 111.693 108.800 0.010 0.000 3.175 887 G HA2 0.494 4.454 3.960 0.000 0.000 0.255 887 G HA3 0.494 4.454 3.960 0.000 0.000 0.255 887 G C -2.110 172.799 174.900 0.014 0.000 1.352 887 G CA -1.392 43.731 45.100 0.037 0.000 1.037 887 G HN 0.131 nan 8.290 nan 0.000 0.556 888 P HA 0.045 nan 4.420 nan 0.000 0.219 888 P C 1.346 178.577 177.300 -0.115 0.000 1.150 888 P CA 0.634 63.720 63.100 -0.024 0.000 0.814 888 P CB 0.322 32.031 31.700 0.015 0.000 0.787 889 V N -1.928 117.849 119.914 -0.228 0.000 2.948 889 V HA 0.153 4.273 4.120 0.000 0.000 0.234 889 V C 1.106 177.103 176.094 -0.162 0.000 1.205 889 V CA 0.450 62.555 62.300 -0.324 0.000 1.234 889 V CB -0.330 31.007 31.823 -0.810 0.000 1.020 889 V HN -0.085 nan 8.190 nan 0.000 0.491 890 I N -2.112 118.408 120.570 -0.083 0.000 3.264 890 I HA 0.791 4.962 4.170 0.000 0.000 0.309 890 I C -0.472 175.655 176.117 0.016 0.000 1.099 890 I CA -0.523 60.782 61.300 0.008 0.000 0.989 890 I CB 1.751 39.794 38.000 0.072 0.000 1.250 890 I HN -0.125 nan 8.210 nan 0.000 0.478 891 T N 1.391 115.955 114.554 0.016 0.000 2.881 891 T HA 0.446 4.796 4.350 0.000 0.000 0.291 891 T C -0.692 173.942 174.700 -0.111 0.000 0.990 891 T CA -0.499 61.545 62.100 -0.094 0.000 0.976 891 T CB 1.000 69.757 68.868 -0.186 0.000 0.970 891 T HN 0.730 nan 8.240 nan 0.000 0.438 892 R N 3.091 123.515 120.500 -0.126 0.000 2.254 892 R HA 0.498 4.838 4.340 0.000 0.000 0.318 892 R C -1.294 174.912 176.300 -0.157 0.000 1.031 892 R CA -0.382 55.695 56.100 -0.038 0.000 0.905 892 R CB 0.306 30.617 30.300 0.018 0.000 1.050 892 R HN 0.420 nan 8.270 nan 0.000 0.456 893 F N 2.657 122.662 119.950 0.090 0.000 2.420 893 F HA 0.260 4.787 4.527 0.000 0.000 0.342 893 F C 0.216 176.064 175.800 0.079 0.000 1.113 893 F CA -0.555 57.513 58.000 0.113 0.000 1.059 893 F CB 1.815 40.857 39.000 0.071 0.000 1.128 893 F HN 0.422 nan 8.300 nan 0.000 0.475 894 E N 5.164 125.485 120.200 0.201 0.000 2.014 894 E HA 0.335 4.685 4.350 0.000 0.000 0.275 894 E C -0.870 175.745 176.600 0.025 0.000 0.997 894 E CA -0.346 56.132 56.400 0.129 0.000 0.804 894 E CB 0.969 30.751 29.700 0.136 0.000 1.090 894 E HN 0.483 nan 8.360 nan 0.000 0.401 895 L N 2.859 124.112 121.223 0.050 0.000 2.334 895 L HA 0.302 4.642 4.340 0.000 0.000 0.277 895 L C 0.352 177.185 176.870 -0.061 0.000 1.075 895 L CA -0.813 54.019 54.840 -0.014 0.000 0.804 895 L CB 0.498 42.570 42.059 0.021 0.000 1.174 895 L HN 0.415 nan 8.230 nan 0.000 0.438 896 N N 3.401 122.028 118.700 -0.122 0.000 2.707 896 N HA 0.326 5.067 4.740 0.000 0.000 0.235 896 N C -0.768 174.740 175.510 -0.004 0.000 1.028 896 N CA -0.411 52.590 53.050 -0.081 0.000 0.906 896 N CB 0.380 38.744 38.487 -0.205 0.000 1.131 896 N HN 0.496 nan 8.380 nan 0.000 0.509 897 L N 1.506 122.750 121.223 0.035 0.000 2.483 897 L HA 0.248 4.588 4.340 0.000 0.000 0.276 897 L C 1.149 178.037 176.870 0.029 0.000 1.213 897 L CA -0.586 54.270 54.840 0.027 0.000 0.843 897 L CB 0.227 42.305 42.059 0.031 0.000 1.107 897 L HN 0.500 nan 8.230 nan 0.000 0.487 898 A N 4.287 127.119 122.820 0.020 0.000 2.425 898 A HA 0.367 4.687 4.320 0.000 0.000 0.242 898 A C -2.155 175.444 177.584 0.024 0.000 1.077 898 A CA -1.182 50.867 52.037 0.021 0.000 0.781 898 A CB -0.462 18.548 19.000 0.017 0.000 1.020 898 A HN 0.516 nan 8.150 nan 0.000 0.494 899 P HA 0.154 nan 4.420 nan 0.000 0.256 899 P C 1.043 178.354 177.300 0.020 0.000 1.173 899 P CA 2.224 65.338 63.100 0.023 0.000 0.768 899 P CB 0.226 31.939 31.700 0.021 0.000 0.758 900 G N 1.944 110.756 108.800 0.019 0.000 2.254 900 G HA2 -0.239 3.721 3.960 0.000 0.000 0.225 900 G HA3 -0.239 3.721 3.960 0.000 0.000 0.225 900 G C 0.128 175.037 174.900 0.016 0.000 1.003 900 G CA -0.182 44.928 45.100 0.016 0.000 0.622 900 G HN 0.498 nan 8.290 nan 0.000 0.507 901 V N 4.271 124.196 119.914 0.017 0.000 2.390 901 V HA 0.259 4.379 4.120 0.000 0.000 0.260 901 V C 1.005 177.107 176.094 0.014 0.000 1.043 901 V CA -0.295 62.014 62.300 0.015 0.000 1.047 901 V CB 0.652 32.484 31.823 0.014 0.000 1.066 901 V HN 0.305 nan 8.190 nan 0.000 0.481 902 K N 3.707 124.114 120.400 0.010 0.000 2.234 902 K HA 0.278 4.598 4.320 0.000 0.000 0.251 902 K C 1.224 177.828 176.600 0.006 0.000 1.011 902 K CA 0.398 56.691 56.287 0.009 0.000 0.889 902 K CB 0.605 33.109 32.500 0.006 0.000 1.011 902 K HN 0.605 nan 8.250 nan 0.000 0.505 903 A N 0.522 123.346 122.820 0.008 0.000 2.147 903 A HA 0.107 4.427 4.320 0.000 0.000 0.211 903 A C 1.745 179.327 177.584 -0.004 0.000 1.160 903 A CA 1.046 53.086 52.037 0.006 0.000 0.781 903 A CB -0.153 18.856 19.000 0.016 0.000 0.842 903 A HN 0.659 nan 8.150 nan 0.000 0.475 904 A N -0.369 122.449 122.820 -0.003 0.000 2.235 904 A HA 0.060 4.380 4.320 0.000 0.000 0.208 904 A C 1.975 179.550 177.584 -0.015 0.000 1.172 904 A CA 0.930 52.963 52.037 -0.007 0.000 0.786 904 A CB -0.448 18.551 19.000 -0.002 0.000 0.804 904 A HN 0.493 nan 8.150 nan 0.000 0.479 905 R N -0.633 119.856 120.500 -0.019 0.000 2.100 905 R HA 0.009 4.349 4.340 0.000 0.000 0.220 905 R C 1.301 177.563 176.300 -0.063 0.000 1.091 905 R CA 1.190 57.272 56.100 -0.030 0.000 0.986 905 R CB -0.175 30.112 30.300 -0.022 0.000 0.888 905 R HN 0.471 nan 8.270 nan 0.000 0.444 906 I N 0.137 120.668 120.570 -0.066 0.000 2.333 906 I HA -0.097 4.073 4.170 0.000 0.000 0.246 906 I C 2.145 178.214 176.117 -0.080 0.000 1.106 906 I CA 0.971 62.211 61.300 -0.100 0.000 1.411 906 I CB -0.246 37.708 38.000 -0.077 0.000 1.082 906 I HN -0.026 nan 8.210 nan 0.000 0.420 907 S N 1.058 116.731 115.700 -0.046 0.000 2.370 907 S HA -0.189 4.281 4.470 0.000 0.000 0.226 907 S C 1.486 176.067 174.600 -0.031 0.000 1.033 907 S CA 1.643 59.825 58.200 -0.030 0.000 1.011 907 S CB -0.638 62.553 63.200 -0.015 0.000 0.852 907 S HN 0.472 nan 8.310 nan 0.000 0.457 908 N N 0.744 119.425 118.700 -0.032 0.000 2.485 908 N HA 0.180 4.920 4.740 0.000 0.000 0.199 908 N C 0.330 175.819 175.510 -0.034 0.000 1.236 908 N CA 0.171 53.207 53.050 -0.023 0.000 0.852 908 N CB 0.277 38.756 38.487 -0.013 0.000 1.018 908 N HN 0.185 nan 8.380 nan 0.000 0.457 909 L N -0.827 120.357 121.223 -0.065 0.000 3.429 909 L HA 0.253 4.594 4.340 0.000 0.000 0.311 909 L C 1.436 178.246 176.870 -0.100 0.000 1.274 909 L CA 0.092 54.872 54.840 -0.101 0.000 1.037 909 L CB -0.360 41.569 42.059 -0.215 0.000 1.433 909 L HN 0.062 nan 8.230 nan 0.000 0.614 910 S N -0.557 115.106 115.700 -0.061 0.000 2.359 910 S HA -0.210 4.260 4.470 0.000 0.000 0.224 910 S C 2.058 176.640 174.600 -0.030 0.000 1.035 910 S CA 1.081 59.253 58.200 -0.046 0.000 1.018 910 S CB -0.269 62.917 63.200 -0.023 0.000 0.876 910 S HN 0.388 nan 8.310 nan 0.000 0.448 911 R N 2.113 122.605 120.500 -0.014 0.000 2.083 911 R HA -0.023 4.318 4.340 0.000 0.000 0.237 911 R C 1.975 178.280 176.300 0.009 0.000 1.137 911 R CA 1.981 58.081 56.100 0.001 0.000 0.951 911 R CB -1.188 29.117 30.300 0.009 0.000 0.851 911 R HN 0.550 nan 8.270 nan 0.000 0.434 912 D N 0.091 120.502 120.400 0.018 0.000 2.078 912 D HA -0.160 4.481 4.640 0.000 0.000 0.193 912 D C 1.989 178.316 176.300 0.045 0.000 0.990 912 D CA 0.893 54.929 54.000 0.060 0.000 0.827 912 D CB -0.636 40.243 40.800 0.132 0.000 0.975 912 D HN 0.109 nan 8.370 nan 0.000 0.451 913 L N 0.729 121.939 121.223 -0.023 0.000 2.010 913 L HA -0.310 4.030 4.340 0.000 0.000 0.219 913 L C 2.224 179.078 176.870 -0.026 0.000 1.077 913 L CA 1.968 56.776 54.840 -0.054 0.000 0.773 913 L CB -0.321 41.657 42.059 -0.134 0.000 0.892 913 L HN 0.024 nan 8.230 nan 0.000 0.436 914 A N -0.745 122.060 122.820 -0.025 0.000 2.076 914 A HA -0.261 4.059 4.320 0.000 0.000 0.220 914 A C 2.312 179.892 177.584 -0.007 0.000 1.160 914 A CA 1.833 53.859 52.037 -0.018 0.000 0.653 914 A CB -0.563 18.431 19.000 -0.011 0.000 0.801 914 A HN 0.545 nan 8.150 nan 0.000 0.455 915 R N -0.778 119.726 120.500 0.007 0.000 2.280 915 R HA 0.102 4.443 4.340 0.000 0.000 0.195 915 R C 1.354 177.666 176.300 0.020 0.000 0.935 915 R CA 0.847 56.956 56.100 0.014 0.000 1.033 915 R CB 0.004 30.318 30.300 0.023 0.000 0.964 915 R HN 0.417 nan 8.270 nan 0.000 0.489 916 S N 0.133 115.851 115.700 0.029 0.000 2.522 916 S HA 0.084 4.554 4.470 0.000 0.000 0.227 916 S C -0.009 174.594 174.600 0.005 0.000 0.986 916 S CA 0.482 58.706 58.200 0.040 0.000 0.929 916 S CB 0.077 63.326 63.200 0.081 0.000 0.769 916 S HN 0.062 nan 8.310 nan 0.000 0.529 917 L N -1.040 120.176 121.223 -0.013 0.000 2.194 917 L HA 0.518 4.858 4.340 0.000 0.000 0.248 917 L C 0.344 177.200 176.870 -0.023 0.000 1.071 917 L CA -0.420 54.402 54.840 -0.031 0.000 0.901 917 L CB 0.881 42.906 42.059 -0.057 0.000 1.497 917 L HN -0.189 nan 8.230 nan 0.000 0.442 918 S N -0.086 115.598 115.700 -0.027 0.000 2.912 918 S HA 0.518 4.988 4.470 0.000 0.000 0.184 918 S C -0.671 173.918 174.600 -0.019 0.000 1.390 918 S CA -0.318 57.871 58.200 -0.019 0.000 1.088 918 S CB -0.938 62.251 63.200 -0.018 0.000 1.284 918 S HN 0.689 nan 8.310 nan 0.000 0.502 919 T N -0.669 113.875 114.554 -0.016 0.000 2.886 919 T HA 0.416 4.766 4.350 0.000 0.000 0.292 919 T C 1.274 175.971 174.700 -0.005 0.000 1.012 919 T CA -0.794 61.298 62.100 -0.012 0.000 0.982 919 T CB 1.278 70.138 68.868 -0.013 0.000 1.018 919 T HN -0.013 nan 8.240 nan 0.000 0.451 920 V N 1.298 121.211 119.914 -0.002 0.000 2.313 920 V HA 0.076 4.196 4.120 0.000 0.000 0.253 920 V C 1.458 177.556 176.094 0.006 0.000 1.070 920 V CA 2.381 64.683 62.300 0.002 0.000 1.057 920 V CB -1.246 30.579 31.823 0.004 0.000 0.653 920 V HN 1.304 nan 8.190 nan 0.000 0.450 921 A N -2.078 120.747 122.820 0.007 0.000 2.566 921 A HA 0.687 5.007 4.320 0.000 0.000 0.290 921 A C -1.469 176.123 177.584 0.012 0.000 1.071 921 A CA -0.377 51.666 52.037 0.010 0.000 0.658 921 A CB 1.606 20.616 19.000 0.017 0.000 1.285 921 A HN 0.051 nan 8.150 nan 0.000 0.427 922 V N 0.457 120.376 119.914 0.009 0.000 2.789 922 V HA 0.722 4.842 4.120 0.000 0.000 0.311 922 V C -0.092 176.014 176.094 0.019 0.000 1.073 922 V CA -0.624 61.684 62.300 0.013 0.000 0.921 922 V CB 1.926 33.743 31.823 -0.009 0.000 1.009 922 V HN 0.981 nan 8.190 nan 0.000 0.426 923 R N 2.577 123.098 120.500 0.035 0.000 2.343 923 R HA 0.699 5.039 4.340 0.000 0.000 0.320 923 R C -1.556 174.765 176.300 0.035 0.000 0.956 923 R CA -0.398 55.723 56.100 0.034 0.000 0.836 923 R CB 1.741 32.069 30.300 0.046 0.000 1.151 923 R HN 0.545 nan 8.270 nan 0.000 0.450 924 V N 6.099 126.025 119.914 0.020 0.000 2.334 924 V HA 0.195 4.315 4.120 0.000 0.000 0.267 924 V C -0.218 175.890 176.094 0.024 0.000 1.040 924 V CA -0.630 61.681 62.300 0.018 0.000 0.866 924 V CB 1.337 33.159 31.823 -0.002 0.000 1.019 924 V HN 0.528 nan 8.190 nan 0.000 0.468 925 V N 4.841 124.776 119.914 0.036 0.000 2.353 925 V HA 0.173 4.293 4.120 0.000 0.000 0.264 925 V C 1.384 177.498 176.094 0.033 0.000 1.049 925 V CA -0.095 62.225 62.300 0.034 0.000 0.896 925 V CB 0.957 32.805 31.823 0.042 0.000 1.025 925 V HN 1.012 nan 8.190 nan 0.000 0.475 926 E N 4.225 124.439 120.200 0.023 0.000 2.110 926 E HA -0.151 4.199 4.350 0.000 0.000 0.193 926 E C 0.578 177.193 176.600 0.025 0.000 0.988 926 E CA 1.147 57.560 56.400 0.021 0.000 0.804 926 E CB 0.444 30.151 29.700 0.012 0.000 0.745 926 E HN 0.506 nan 8.360 nan 0.000 0.458 927 V N 1.450 121.377 119.914 0.021 0.000 2.482 927 V HA 0.343 4.463 4.120 0.000 0.000 0.295 927 V C -0.941 175.163 176.094 0.017 0.000 1.026 927 V CA -0.698 61.612 62.300 0.016 0.000 0.856 927 V CB 1.511 33.337 31.823 0.005 0.000 1.001 927 V HN 0.101 nan 8.190 nan 0.000 0.424 928 I N 9.975 130.556 120.570 0.019 0.000 2.297 928 I HA 0.365 4.535 4.170 0.000 0.000 0.291 928 I C -1.888 174.225 176.117 -0.007 0.000 1.033 928 I CA -1.928 59.383 61.300 0.018 0.000 1.253 928 I CB 1.864 39.889 38.000 0.043 0.000 1.396 928 I HN 0.502 nan 8.210 nan 0.000 0.476 929 P HA -0.050 nan 4.420 nan 0.000 0.256 929 P C 0.824 178.107 177.300 -0.029 0.000 1.173 929 P CA 0.887 63.977 63.100 -0.016 0.000 0.768 929 P CB 0.647 32.342 31.700 -0.009 0.000 0.758 930 G N 3.113 111.887 108.800 -0.043 0.000 2.234 930 G HA2 -0.211 3.749 3.960 0.000 0.000 0.235 930 G HA3 -0.211 3.749 3.960 0.000 0.000 0.235 930 G C -0.031 174.806 174.900 -0.104 0.000 0.997 930 G CA -0.073 44.992 45.100 -0.060 0.000 0.623 930 G HN 0.584 nan 8.290 nan 0.000 0.514 931 K N 0.719 121.042 120.400 -0.128 0.000 2.316 931 K HA 0.509 4.829 4.320 0.000 0.000 0.251 931 K C -1.896 174.536 176.600 -0.281 0.000 0.934 931 K CA -1.579 54.548 56.287 -0.268 0.000 0.802 931 K CB 2.993 35.339 32.500 -0.257 0.000 1.171 931 K HN -0.036 nan 8.250 nan 0.000 0.426 932 P HA -0.090 nan 4.420 nan 0.000 0.245 932 P C -0.648 176.608 177.300 -0.074 0.000 1.212 932 P CA 0.588 63.542 63.100 -0.243 0.000 0.774 932 P CB 0.155 31.713 31.700 -0.236 0.000 0.999 933 Y N -0.584 119.722 120.300 0.010 0.000 2.316 933 Y HA 0.289 4.839 4.550 0.000 0.000 0.324 933 Y C 1.238 177.149 175.900 0.019 0.000 1.267 933 Y CA -1.651 56.458 58.100 0.016 0.000 1.311 933 Y CB 0.913 39.385 38.460 0.020 0.000 1.267 933 Y HN -0.385 nan 8.280 nan 0.000 0.516 934 V N 1.423 121.461 119.914 0.207 0.000 2.567 934 V HA 0.420 4.540 4.120 0.000 0.000 0.289 934 V C 0.447 176.613 176.094 0.121 0.000 1.049 934 V CA -0.573 61.798 62.300 0.118 0.000 0.969 934 V CB 1.276 33.144 31.823 0.076 0.000 0.995 934 V HN 0.922 nan 8.190 nan 0.000 0.471 935 G N 3.978 112.837 108.800 0.098 0.000 2.356 935 G HA2 0.628 4.588 3.960 0.000 0.000 0.322 935 G HA3 0.628 4.588 3.960 0.000 0.000 0.322 935 G C -1.051 173.911 174.900 0.103 0.000 1.125 935 G CA -0.498 44.666 45.100 0.107 0.000 0.885 935 G HN 0.591 nan 8.290 nan 0.000 0.467 936 L N 2.271 123.585 121.223 0.152 0.000 2.345 936 L HA 0.334 4.674 4.340 0.000 0.000 0.274 936 L C -0.338 176.670 176.870 0.229 0.000 0.999 936 L CA -0.492 54.439 54.840 0.151 0.000 0.849 936 L CB 1.782 43.916 42.059 0.125 0.000 1.220 936 L HN 0.571 nan 8.230 nan 0.000 0.422 937 E N 4.856 125.148 120.200 0.153 0.000 2.167 937 E HA 0.511 4.861 4.350 0.000 0.000 0.284 937 E C -1.043 175.645 176.600 0.147 0.000 1.016 937 E CA -0.296 56.199 56.400 0.158 0.000 0.817 937 E CB 1.762 31.528 29.700 0.109 0.000 1.080 937 E HN 0.415 nan 8.360 nan 0.000 0.397 938 L N 5.287 126.629 121.223 0.198 0.000 2.365 938 L HA 0.489 4.829 4.340 0.000 0.000 0.273 938 L C -2.204 174.726 176.870 0.101 0.000 1.000 938 L CA -2.506 52.417 54.840 0.139 0.000 0.819 938 L CB 1.881 44.039 42.059 0.165 0.000 1.284 938 L HN 0.363 nan 8.230 nan 0.000 0.418 939 P HA 0.068 nan 4.420 nan 0.000 0.271 939 P C -1.155 176.152 177.300 0.011 0.000 1.216 939 P CA -0.198 62.913 63.100 0.017 0.000 0.776 939 P CB 0.629 32.331 31.700 0.003 0.000 0.881 940 N N 1.955 120.649 118.700 -0.011 0.000 2.503 940 N HA 0.062 4.803 4.740 0.000 0.000 0.267 940 N C 1.259 176.757 175.510 -0.019 0.000 1.214 940 N CA -0.539 52.503 53.050 -0.014 0.000 0.959 940 N CB 0.858 39.328 38.487 -0.027 0.000 1.142 940 N HN 0.343 nan 8.380 nan 0.000 0.455 941 K N 0.914 121.305 120.400 -0.015 0.000 2.148 941 K HA -0.103 4.218 4.320 0.000 0.000 0.204 941 K C 0.519 177.108 176.600 -0.019 0.000 1.050 941 K CA 1.026 57.303 56.287 -0.015 0.000 0.942 941 K CB 0.110 32.604 32.500 -0.010 0.000 0.724 941 K HN 0.412 nan 8.250 nan 0.000 0.446 942 K N 1.775 122.164 120.400 -0.020 0.000 2.464 942 K HA 0.154 4.474 4.320 0.000 0.000 0.252 942 K C -1.108 175.471 176.600 -0.035 0.000 1.000 942 K CA -0.538 55.736 56.287 -0.022 0.000 0.951 942 K CB 1.042 33.535 32.500 -0.012 0.000 1.183 942 K HN -0.099 nan 8.250 nan 0.000 0.445 943 R N 3.007 123.478 120.500 -0.050 0.000 2.441 943 R HA 0.132 4.472 4.340 0.000 0.000 0.284 943 R C -0.653 175.605 176.300 -0.070 0.000 1.070 943 R CA -0.140 55.916 56.100 -0.074 0.000 1.047 943 R CB 0.881 31.127 30.300 -0.091 0.000 1.016 943 R HN 0.594 nan 8.270 nan 0.000 0.477 944 Q N 1.270 121.025 119.800 -0.075 0.000 2.245 944 Q HA 0.247 4.587 4.340 0.000 0.000 0.256 944 Q C -0.697 175.248 176.000 -0.091 0.000 0.942 944 Q CA -0.658 55.115 55.803 -0.049 0.000 0.896 944 Q CB 2.347 31.079 28.738 -0.010 0.000 1.272 944 Q HN 0.574 nan 8.270 nan 0.000 0.442 945 T N 1.124 115.611 114.554 -0.112 0.000 2.910 945 T HA 0.267 4.618 4.350 0.000 0.000 0.293 945 T C -0.411 174.150 174.700 -0.231 0.000 1.015 945 T CA -0.412 61.514 62.100 -0.290 0.000 1.094 945 T CB 0.672 69.189 68.868 -0.585 0.000 0.968 945 T HN 0.237 nan 8.240 nan 0.000 0.521 946 V N 4.323 124.109 119.914 -0.214 0.000 2.313 946 V HA 0.291 4.411 4.120 0.000 0.000 0.278 946 V C -0.847 175.201 176.094 -0.075 0.000 1.017 946 V CA -0.915 61.357 62.300 -0.046 0.000 0.823 946 V CB -0.159 31.688 31.823 0.040 0.000 1.010 946 V HN 0.751 nan 8.190 nan 0.000 0.443 947 Y N 3.437 123.784 120.300 0.078 0.000 2.319 947 Y HA 0.232 4.782 4.550 0.000 0.000 0.328 947 Y C 1.217 177.122 175.900 0.008 0.000 1.133 947 Y CA -0.399 57.748 58.100 0.079 0.000 1.265 947 Y CB 0.826 39.318 38.460 0.054 0.000 1.218 947 Y HN 0.455 nan 8.280 nan 0.000 0.508 948 L N 2.761 124.048 121.223 0.105 0.000 1.971 948 L HA -0.292 4.048 4.340 0.000 0.000 0.215 948 L C 2.582 179.396 176.870 -0.093 0.000 1.072 948 L CA 1.926 56.742 54.840 -0.040 0.000 0.758 948 L CB -0.258 41.739 42.059 -0.104 0.000 0.889 948 L HN 0.818 nan 8.230 nan 0.000 0.433 949 R N -0.072 120.391 120.500 -0.062 0.000 2.154 949 R HA -0.277 4.063 4.340 0.000 0.000 0.248 949 R C 2.122 178.378 176.300 -0.074 0.000 1.155 949 R CA 2.102 58.135 56.100 -0.113 0.000 0.979 949 R CB -0.217 30.043 30.300 -0.066 0.000 0.869 949 R HN 0.520 nan 8.270 nan 0.000 0.452 950 E N -0.498 119.704 120.200 0.003 0.000 2.152 950 E HA -0.117 4.233 4.350 0.000 0.000 0.192 950 E C 1.619 178.211 176.600 -0.014 0.000 0.983 950 E CA 1.166 57.572 56.400 0.011 0.000 0.818 950 E CB 0.277 30.020 29.700 0.072 0.000 0.758 950 E HN 0.255 nan 8.360 nan 0.000 0.467 951 V N 1.027 120.915 119.914 -0.044 0.000 2.535 951 V HA -0.148 3.972 4.120 0.000 0.000 0.246 951 V C 2.275 178.289 176.094 -0.134 0.000 1.045 951 V CA 0.875 63.139 62.300 -0.060 0.000 1.058 951 V CB -0.241 31.542 31.823 -0.068 0.000 0.689 951 V HN 0.314 nan 8.190 nan 0.000 0.461 952 L N 0.092 121.139 121.223 -0.294 0.000 2.201 952 L HA -0.111 4.230 4.340 0.000 0.000 0.212 952 L C 2.129 178.927 176.870 -0.120 0.000 1.105 952 L CA 1.470 56.012 54.840 -0.497 0.000 0.775 952 L CB -0.369 41.296 42.059 -0.656 0.000 0.913 952 L HN 0.396 nan 8.230 nan 0.000 0.440 953 D N -0.146 120.218 120.400 -0.060 0.000 2.339 953 D HA -0.053 4.587 4.640 0.000 0.000 0.217 953 D C 0.511 176.844 176.300 0.055 0.000 1.050 953 D CA -0.074 53.935 54.000 0.017 0.000 0.856 953 D CB 0.235 41.031 40.800 -0.006 0.000 0.922 953 D HN 0.266 nan 8.370 nan 0.000 0.518 954 N N -0.933 117.807 118.700 0.068 0.000 2.445 954 N HA 0.261 5.001 4.740 0.000 0.000 0.264 954 N C 1.022 176.598 175.510 0.110 0.000 1.227 954 N CA 0.131 53.227 53.050 0.077 0.000 0.963 954 N CB 1.327 39.854 38.487 0.066 0.000 1.188 954 N HN -0.117 nan 8.380 nan 0.000 0.491 955 A N 1.858 124.722 122.820 0.074 0.000 1.877 955 A HA -0.148 4.172 4.320 0.000 0.000 0.216 955 A C 1.760 179.382 177.584 0.063 0.000 1.186 955 A CA 1.407 53.481 52.037 0.061 0.000 0.620 955 A CB -0.597 18.425 19.000 0.037 0.000 0.822 955 A HN 0.822 nan 8.150 nan 0.000 0.443 956 K N -1.920 118.519 120.400 0.064 0.000 2.173 956 K HA -0.212 4.108 4.320 0.000 0.000 0.207 956 K C 1.625 178.272 176.600 0.077 0.000 1.046 956 K CA 1.881 58.201 56.287 0.055 0.000 0.929 956 K CB -0.297 32.235 32.500 0.054 0.000 0.720 956 K HN 0.606 nan 8.250 nan 0.000 0.453 957 F N 0.548 120.495 119.950 -0.004 0.000 2.437 957 F HA 0.095 4.622 4.527 0.000 0.000 0.288 957 F C 2.303 178.112 175.800 0.016 0.000 1.085 957 F CA 0.320 58.320 58.000 0.001 0.000 1.430 957 F CB 0.166 39.165 39.000 -0.002 0.000 1.120 957 F HN -0.263 nan 8.300 nan 0.000 0.556 958 R N 0.658 121.224 120.500 0.110 0.000 2.070 958 R HA -0.138 4.203 4.340 0.000 0.000 0.233 958 R C 1.765 178.034 176.300 -0.052 0.000 1.137 958 R CA 2.204 58.334 56.100 0.050 0.000 0.945 958 R CB -0.421 29.941 30.300 0.103 0.000 0.845 958 R HN 0.215 nan 8.270 nan 0.000 0.430 959 D N 0.189 120.566 120.400 -0.037 0.000 2.149 959 D HA -0.129 4.511 4.640 0.000 0.000 0.201 959 D C 0.300 176.552 176.300 -0.079 0.000 0.972 959 D CA 0.574 54.549 54.000 -0.043 0.000 0.835 959 D CB -0.587 40.202 40.800 -0.018 0.000 0.966 959 D HN 0.119 nan 8.370 nan 0.000 0.476 960 N N 2.026 120.652 118.700 -0.124 0.000 2.374 960 N HA -0.056 4.684 4.740 0.000 0.000 0.269 960 N C -1.479 173.939 175.510 -0.153 0.000 1.310 960 N CA -0.646 52.321 53.050 -0.140 0.000 0.877 960 N CB 1.517 39.895 38.487 -0.182 0.000 1.096 960 N HN 0.011 nan 8.380 nan 0.000 0.484 961 P HA -0.079 nan 4.420 nan 0.000 0.221 961 P C 0.468 177.722 177.300 -0.077 0.000 1.150 961 P CA 0.391 63.450 63.100 -0.070 0.000 0.800 961 P CB 0.180 31.860 31.700 -0.033 0.000 0.787 962 S N 2.071 117.710 115.700 -0.101 0.000 2.544 962 S HA 0.079 4.549 4.470 0.000 0.000 0.290 962 S C -1.199 173.318 174.600 -0.140 0.000 1.276 962 S CA -1.006 57.121 58.200 -0.122 0.000 1.075 962 S CB 0.111 63.215 63.200 -0.161 0.000 0.849 962 S HN 0.075 nan 8.310 nan 0.000 0.494 963 P HA 0.075 nan 4.420 nan 0.000 0.245 963 P C 0.363 177.603 177.300 -0.101 0.000 1.212 963 P CA 0.521 63.586 63.100 -0.058 0.000 0.774 963 P CB 0.066 31.786 31.700 0.033 0.000 0.999 964 L N -0.519 120.578 121.223 -0.211 0.000 3.017 964 L HA 0.215 4.555 4.340 0.000 0.000 0.255 964 L C 0.265 177.060 176.870 -0.125 0.000 1.247 964 L CA -0.046 54.667 54.840 -0.212 0.000 1.038 964 L CB -0.091 41.702 42.059 -0.443 0.000 1.380 964 L HN -0.204 nan 8.230 nan 0.000 0.548 965 T N 1.893 116.394 114.554 -0.088 0.000 2.870 965 T HA 0.306 4.656 4.350 0.000 0.000 0.300 965 T C 0.112 174.903 174.700 0.153 0.000 0.989 965 T CA -0.049 62.026 62.100 -0.042 0.000 1.139 965 T CB 1.495 70.235 68.868 -0.213 0.000 0.920 965 T HN 0.132 nan 8.240 nan 0.000 0.537 966 V N 1.342 121.344 119.914 0.147 0.000 2.823 966 V HA 0.752 4.872 4.120 0.000 0.000 0.312 966 V C -0.245 175.935 176.094 0.142 0.000 1.072 966 V CA -1.080 61.325 62.300 0.176 0.000 0.937 966 V CB 1.778 33.653 31.823 0.088 0.000 1.013 966 V HN 0.542 nan 8.190 nan 0.000 0.430 967 V N 4.392 124.354 119.914 0.080 0.000 2.498 967 V HA 0.281 4.401 4.120 0.000 0.000 0.279 967 V C 0.744 176.833 176.094 -0.008 0.000 1.048 967 V CA 0.023 62.325 62.300 0.002 0.000 0.967 967 V CB 1.160 32.914 31.823 -0.116 0.000 0.988 967 V HN 0.861 nan 8.190 nan 0.000 0.473 968 L N 3.492 124.694 121.223 -0.035 0.000 2.347 968 L HA 0.586 4.927 4.340 0.000 0.000 0.196 968 L C 1.255 178.118 176.870 -0.012 0.000 1.072 968 L CA 2.018 56.829 54.840 -0.047 0.000 0.817 968 L CB -0.553 41.410 42.059 -0.161 0.000 1.029 968 L HN 0.908 nan 8.230 nan 0.000 0.478 969 G N -1.535 107.250 108.800 -0.025 0.000 2.419 969 G HA2 0.126 4.086 3.960 0.000 0.000 0.061 969 G HA3 0.126 4.086 3.960 0.000 0.000 0.061 969 G C -0.987 173.915 174.900 0.003 0.000 0.907 969 G CA -0.541 44.566 45.100 0.012 0.000 1.174 969 G HN -0.051 nan 8.290 nan 0.000 0.468 970 K N 0.922 121.328 120.400 0.010 0.000 2.508 970 K HA 0.486 4.806 4.320 0.000 0.000 0.260 970 K C -1.470 175.091 176.600 -0.065 0.000 0.949 970 K CA -0.585 55.707 56.287 0.010 0.000 0.834 970 K CB 2.539 35.085 32.500 0.078 0.000 1.365 970 K HN 0.719 nan 8.250 nan 0.000 0.437 971 D N 0.376 120.734 120.400 -0.071 0.000 2.411 971 D HA 0.082 4.722 4.640 0.000 0.000 0.251 971 D C 1.398 177.641 176.300 -0.094 0.000 1.201 971 D CA -0.625 53.292 54.000 -0.138 0.000 0.996 971 D CB 0.412 41.163 40.800 -0.082 0.000 1.101 971 D HN 0.582 nan 8.370 nan 0.000 0.504 972 I N -3.707 116.796 120.570 -0.113 0.000 2.761 972 I HA -0.131 4.039 4.170 0.000 0.000 0.266 972 I C 1.360 177.535 176.117 0.096 0.000 1.239 972 I CA 1.438 62.781 61.300 0.071 0.000 1.451 972 I CB -0.488 37.541 38.000 0.048 0.000 1.096 972 I HN 0.333 nan 8.210 nan 0.000 0.465 973 A N 0.808 123.655 122.820 0.045 0.000 2.465 973 A HA 0.571 4.891 4.320 0.000 0.000 0.255 973 A C 1.680 179.291 177.584 0.044 0.000 1.274 973 A CA 0.347 52.408 52.037 0.039 0.000 0.920 973 A CB -0.289 18.721 19.000 0.018 0.000 1.033 973 A HN 0.784 nan 8.150 nan 0.000 0.516 974 G N -0.746 108.093 108.800 0.064 0.000 2.176 974 G HA2 -0.202 3.758 3.960 0.000 0.000 0.253 974 G HA3 -0.202 3.758 3.960 0.000 0.000 0.253 974 G C -0.076 174.849 174.900 0.041 0.000 0.979 974 G CA 0.239 45.376 45.100 0.061 0.000 0.641 974 G HN 0.505 nan 8.290 nan 0.000 0.530 975 E N 1.927 122.142 120.200 0.024 0.000 2.259 975 E HA 0.291 4.641 4.350 0.000 0.000 0.281 975 E C -2.164 174.439 176.600 0.005 0.000 1.027 975 E CA -1.658 54.750 56.400 0.013 0.000 0.838 975 E CB 1.550 31.252 29.700 0.003 0.000 1.066 975 E HN 0.222 nan 8.360 nan 0.000 0.401 976 P HA -0.012 nan 4.420 nan 0.000 0.267 976 P C -0.475 176.817 177.300 -0.013 0.000 1.205 976 P CA 0.084 63.188 63.100 0.006 0.000 0.765 976 P CB 0.646 32.358 31.700 0.020 0.000 0.828 977 V N 5.133 125.026 119.914 -0.035 0.000 2.409 977 V HA 0.281 4.401 4.120 0.000 0.000 0.291 977 V C 0.560 176.613 176.094 -0.068 0.000 1.020 977 V CA -0.561 61.694 62.300 -0.074 0.000 0.848 977 V CB 1.841 33.586 31.823 -0.129 0.000 0.990 977 V HN 0.315 nan 8.190 nan 0.000 0.430 978 V N 3.219 123.101 119.914 -0.052 0.000 2.919 978 V HA 0.999 5.119 4.120 0.000 0.000 0.316 978 V C 0.133 176.183 176.094 -0.073 0.000 1.077 978 V CA -0.538 61.757 62.300 -0.008 0.000 0.977 978 V CB 2.016 33.884 31.823 0.075 0.000 1.039 978 V HN 1.024 nan 8.190 nan 0.000 0.441 979 A N 1.193 123.983 122.820 -0.050 0.000 2.572 979 A HA 0.710 5.030 4.320 0.000 0.000 0.295 979 A C -1.688 175.881 177.584 -0.025 0.000 1.072 979 A CA -0.465 51.530 52.037 -0.070 0.000 0.691 979 A CB 1.837 20.749 19.000 -0.146 0.000 1.291 979 A HN 0.727 nan 8.150 nan 0.000 0.404 980 D N 2.006 122.388 120.400 -0.030 0.000 2.427 980 D HA 0.243 4.883 4.640 0.000 0.000 0.226 980 D C 1.001 177.255 176.300 -0.077 0.000 1.076 980 D CA -0.370 53.590 54.000 -0.066 0.000 0.849 980 D CB 0.989 41.741 40.800 -0.080 0.000 1.052 980 D HN 0.446 nan 8.370 nan 0.000 0.515 981 L N 3.486 124.643 121.223 -0.109 0.000 2.129 981 L HA -0.231 4.109 4.340 0.000 0.000 0.212 981 L C 1.856 178.584 176.870 -0.235 0.000 1.087 981 L CA 1.612 56.373 54.840 -0.131 0.000 0.757 981 L CB -0.039 41.925 42.059 -0.157 0.000 0.896 981 L HN 0.508 nan 8.230 nan 0.000 0.434 982 A N -0.738 121.857 122.820 -0.374 0.000 2.067 982 A HA -0.160 4.160 4.320 0.000 0.000 0.219 982 A C 2.065 179.621 177.584 -0.046 0.000 1.158 982 A CA 1.207 53.032 52.037 -0.354 0.000 0.661 982 A CB -0.191 18.561 19.000 -0.412 0.000 0.801 982 A HN 0.344 nan 8.150 nan 0.000 0.452 983 K N -0.923 119.444 120.400 -0.056 0.000 2.379 983 K HA 0.227 4.547 4.320 0.000 0.000 0.194 983 K C 1.635 178.236 176.600 0.002 0.000 1.031 983 K CA 0.271 56.552 56.287 -0.010 0.000 1.037 983 K CB -0.148 32.349 32.500 -0.005 0.000 0.824 983 K HN 0.550 nan 8.250 nan 0.000 0.516 984 M N 1.343 120.943 119.600 0.001 0.000 2.067 984 M HA -0.117 4.363 4.480 0.000 0.000 0.260 984 M C -0.737 175.547 176.300 -0.028 0.000 1.069 984 M CA 2.018 57.323 55.300 0.008 0.000 1.117 984 M CB -0.951 31.669 32.600 0.032 0.000 1.334 984 M HN -0.105 nan 8.290 nan 0.000 0.407 985 P HA 0.111 nan 4.420 nan 0.000 0.275 985 P C -0.643 176.449 177.300 -0.346 0.000 1.310 985 P CA 0.777 63.774 63.100 -0.171 0.000 0.904 985 P CB 0.401 31.925 31.700 -0.293 0.000 1.381 986 H N 0.377 119.500 119.070 0.088 0.000 2.806 986 H HA 0.488 5.044 4.556 0.000 0.000 0.367 986 H C -0.105 175.235 175.328 0.019 0.000 1.136 986 H CA -0.728 55.353 56.048 0.056 0.000 1.178 986 H CB 2.564 32.332 29.762 0.010 0.000 1.718 986 H HN -0.030 nan 8.280 nan 0.000 0.540 987 L N 0.639 121.940 121.223 0.130 0.000 2.327 987 L HA 0.705 5.046 4.340 0.000 0.000 0.258 987 L C -1.534 175.344 176.870 0.013 0.000 1.024 987 L CA -0.996 53.878 54.840 0.057 0.000 0.825 987 L CB 2.933 45.033 42.059 0.070 0.000 1.386 987 L HN 0.452 nan 8.230 nan 0.000 0.417 988 L N 2.697 123.917 121.223 -0.004 0.000 2.376 988 L HA 0.694 5.034 4.340 0.000 0.000 0.275 988 L C -1.411 175.484 176.870 0.042 0.000 0.987 988 L CA -0.703 54.126 54.840 -0.020 0.000 0.828 988 L CB 1.982 44.017 42.059 -0.040 0.000 1.249 988 L HN 0.583 nan 8.230 nan 0.000 0.409 989 V N 4.206 124.173 119.914 0.089 0.000 2.459 989 V HA 0.882 5.002 4.120 0.000 0.000 0.295 989 V C -0.026 176.188 176.094 0.201 0.000 1.029 989 V CA -0.353 62.051 62.300 0.173 0.000 0.874 989 V CB 1.355 33.314 31.823 0.227 0.000 0.985 989 V HN 0.878 nan 8.190 nan 0.000 0.438 990 A N 3.167 126.129 122.820 0.236 0.000 2.572 990 A HA 1.054 5.374 4.320 0.000 0.000 0.295 990 A C -0.155 177.582 177.584 0.256 0.000 1.072 990 A CA 0.035 52.200 52.037 0.214 0.000 0.691 990 A CB 2.152 21.247 19.000 0.158 0.000 1.291 990 A HN 1.593 nan 8.150 nan 0.000 0.404 991 G N -0.731 108.184 108.800 0.192 0.000 2.335 991 G HA2 0.570 4.530 3.960 0.000 0.000 0.291 991 G HA3 0.570 4.530 3.960 0.000 0.000 0.291 991 G C -0.454 174.509 174.900 0.105 0.000 1.261 991 G CA 0.349 45.559 45.100 0.182 0.000 0.871 991 G HN 1.035 nan 8.290 nan 0.000 0.491 992 T N -0.209 114.395 114.554 0.084 0.000 2.867 992 T HA 0.493 4.843 4.350 0.000 0.000 0.286 992 T C 1.835 176.549 174.700 0.023 0.000 1.022 992 T CA 0.494 62.622 62.100 0.048 0.000 0.933 992 T CB 0.805 69.698 68.868 0.042 0.000 1.280 992 T HN 0.504 nan 8.240 nan 0.000 0.566 993 T N 1.285 115.846 114.554 0.013 0.000 2.569 993 T HA -0.006 4.344 4.350 0.000 0.000 0.263 993 T C 1.782 176.473 174.700 -0.015 0.000 1.074 993 T CA 1.513 63.612 62.100 -0.001 0.000 1.176 993 T CB -0.782 68.087 68.868 0.001 0.000 0.863 993 T HN 0.745 nan 8.240 nan 0.000 0.410 994 G N 0.968 109.763 108.800 -0.008 0.000 3.591 994 G HA2 0.254 4.214 3.960 0.000 0.000 0.282 994 G HA3 0.254 4.214 3.960 0.000 0.000 0.282 994 G C 1.241 176.130 174.900 -0.018 0.000 1.238 994 G CA 0.357 45.448 45.100 -0.015 0.000 0.993 994 G HN 0.547 nan 8.290 nan 0.000 0.542 995 S N -1.408 114.277 115.700 -0.024 0.000 2.501 995 S HA 0.373 4.844 4.470 0.000 0.000 0.220 995 S C 1.713 176.261 174.600 -0.086 0.000 0.997 995 S CA 0.841 59.043 58.200 0.004 0.000 0.919 995 S CB 0.319 63.568 63.200 0.082 0.000 0.778 995 S HN 1.217 nan 8.310 nan 0.000 0.523 996 G N 0.204 108.829 108.800 -0.293 0.000 2.273 996 G HA2 -0.018 3.942 3.960 0.000 0.000 0.162 996 G HA3 -0.018 3.942 3.960 0.000 0.000 0.162 996 G C 0.945 175.111 174.900 -1.224 0.000 1.006 996 G CA 0.032 44.785 45.100 -0.579 0.000 0.704 996 G HN 0.826 nan 8.290 nan 0.000 0.487 997 A N 1.300 123.477 122.820 -1.072 0.000 1.908 997 A HA 0.113 4.434 4.320 0.000 0.000 0.218 997 A C 2.752 180.125 177.584 -0.352 0.000 1.181 997 A CA 3.131 54.709 52.037 -0.765 0.000 0.627 997 A CB -0.821 18.061 19.000 -0.197 0.000 0.818 997 A HN 1.604 nan 8.150 nan 0.000 0.445 998 S N -0.443 115.115 115.700 -0.237 0.000 2.368 998 S HA -0.107 4.364 4.470 0.000 0.000 0.224 998 S C 1.731 176.266 174.600 -0.108 0.000 1.029 998 S CA 1.412 59.542 58.200 -0.116 0.000 0.988 998 S CB -0.937 62.219 63.200 -0.073 0.000 0.838 998 S HN 0.272 nan 8.310 nan 0.000 0.462 999 V N 2.405 122.230 119.914 -0.148 0.000 2.427 999 V HA 0.009 4.130 4.120 0.000 0.000 0.248 999 V C 2.915 178.964 176.094 -0.076 0.000 1.051 999 V CA 1.637 63.873 62.300 -0.108 0.000 1.048 999 V CB -1.710 30.068 31.823 -0.076 0.000 0.666 999 V HN 0.644 nan 8.190 nan 0.000 0.456 1000 G N -0.059 108.675 108.800 -0.110 0.000 2.418 1000 G HA2 -0.201 3.759 3.960 0.000 0.000 0.217 1000 G HA3 -0.201 3.759 3.960 0.000 0.000 0.217 1000 G C 1.678 176.628 174.900 0.083 0.000 1.158 1000 G CA 1.239 46.394 45.100 0.092 0.000 0.771 1000 G HN 0.370 nan 8.290 nan 0.000 0.545 1001 V N 1.436 121.367 119.914 0.028 0.000 2.295 1001 V HA -0.188 3.932 4.120 0.000 0.000 0.246 1001 V C 2.694 178.775 176.094 -0.020 0.000 1.049 1001 V CA 1.891 64.197 62.300 0.010 0.000 1.024 1001 V CB -0.493 31.321 31.823 -0.015 0.000 0.648 1001 V HN 0.301 nan 8.190 nan 0.000 0.447 1002 N N 0.584 119.281 118.700 -0.005 0.000 2.137 1002 N HA -0.163 4.577 4.740 0.000 0.000 0.190 1002 N C 1.824 177.344 175.510 0.018 0.000 1.017 1002 N CA 1.703 54.776 53.050 0.039 0.000 0.859 1002 N CB -0.511 37.992 38.487 0.026 0.000 1.002 1002 N HN 0.512 nan 8.380 nan 0.000 0.428 1003 A N 0.595 123.413 122.820 -0.003 0.000 1.972 1003 A HA -0.066 4.255 4.320 0.000 0.000 0.219 1003 A C 2.305 179.893 177.584 0.006 0.000 1.169 1003 A CA 1.094 53.126 52.037 -0.010 0.000 0.635 1003 A CB -0.357 18.644 19.000 0.002 0.000 0.810 1003 A HN 0.203 nan 8.150 nan 0.000 0.446 1004 M N -0.781 118.829 119.600 0.017 0.000 2.098 1004 M HA -0.039 4.442 4.480 0.000 0.000 0.262 1004 M C 2.091 178.401 176.300 0.017 0.000 1.072 1004 M CA 1.488 56.806 55.300 0.029 0.000 1.133 1004 M CB -0.451 32.168 32.600 0.032 0.000 1.344 1004 M HN 0.391 nan 8.290 nan 0.000 0.414 1005 I N 0.053 120.577 120.570 -0.077 0.000 2.163 1005 I HA -0.312 3.858 4.170 0.000 0.000 0.243 1005 I C 2.230 178.343 176.117 -0.007 0.000 1.085 1005 I CA 1.166 62.350 61.300 -0.193 0.000 1.347 1005 I CB -0.451 37.224 38.000 -0.541 0.000 1.044 1005 I HN 0.217 nan 8.210 nan 0.000 0.408 1006 L N 0.258 121.529 121.223 0.081 0.000 2.127 1006 L HA -0.202 4.138 4.340 0.000 0.000 0.211 1006 L C 2.674 179.707 176.870 0.273 0.000 1.089 1006 L CA 1.589 56.554 54.840 0.210 0.000 0.757 1006 L CB -0.647 41.522 42.059 0.183 0.000 0.899 1006 L HN 0.119 nan 8.230 nan 0.000 0.434 1007 S N -0.966 114.818 115.700 0.140 0.000 2.359 1007 S HA -0.235 4.235 4.470 0.000 0.000 0.224 1007 S C 1.942 176.774 174.600 0.387 0.000 1.035 1007 S CA 1.776 60.071 58.200 0.157 0.000 1.018 1007 S CB -0.246 63.047 63.200 0.155 0.000 0.876 1007 S HN 0.386 nan 8.310 nan 0.000 0.448 1008 M N 0.609 120.380 119.600 0.285 0.000 2.175 1008 M HA 0.007 4.487 4.480 0.000 0.000 0.264 1008 M C 1.793 178.239 176.300 0.242 0.000 1.063 1008 M CA 1.121 56.580 55.300 0.265 0.000 1.119 1008 M CB -0.491 32.261 32.600 0.254 0.000 1.377 1008 M HN 0.234 nan 8.290 nan 0.000 0.415 1009 L N -1.285 120.052 121.223 0.190 0.000 2.456 1009 L HA -0.177 4.163 4.340 0.000 0.000 0.224 1009 L C 1.171 178.277 176.870 0.394 0.000 1.148 1009 L CA 0.959 55.873 54.840 0.123 0.000 0.825 1009 L CB -0.425 41.670 42.059 0.060 0.000 0.937 1009 L HN 0.309 nan 8.230 nan 0.000 0.450 1010 Y N -0.989 119.515 120.300 0.341 0.000 2.524 1010 Y HA 0.042 4.592 4.550 0.000 0.000 0.266 1010 Y C 1.916 178.048 175.900 0.388 0.000 1.180 1010 Y CA 0.225 58.534 58.100 0.349 0.000 1.244 1010 Y CB 0.356 38.956 38.460 0.234 0.000 1.125 1010 Y HN 0.031 nan 8.280 nan 0.000 0.524 1011 K N -1.234 119.437 120.400 0.451 0.000 2.591 1011 K HA 0.390 4.710 4.320 0.000 0.000 0.207 1011 K C -0.326 176.415 176.600 0.235 0.000 1.711 1011 K CA 0.268 56.738 56.287 0.306 0.000 1.059 1011 K CB 0.454 33.071 32.500 0.196 0.000 1.449 1011 K HN -0.021 nan 8.250 nan 0.000 0.605 1012 A N 1.585 124.565 122.820 0.266 0.000 2.340 1012 A HA 0.633 4.953 4.320 0.000 0.000 0.331 1012 A C -0.852 176.909 177.584 0.296 0.000 1.140 1012 A CA -0.658 51.509 52.037 0.216 0.000 0.801 1012 A CB 1.384 20.465 19.000 0.135 0.000 1.234 1012 A HN 0.147 nan 8.150 nan 0.000 0.469 1013 Q N 0.880 120.790 119.800 0.184 0.000 2.215 1013 Q HA 0.321 4.661 4.340 0.000 0.000 0.256 1013 Q C -1.933 173.967 176.000 -0.167 0.000 0.972 1013 Q CA -2.037 53.831 55.803 0.108 0.000 0.889 1013 Q CB 1.014 29.833 28.738 0.135 0.000 1.281 1013 Q HN 0.374 nan 8.270 nan 0.000 0.456 1014 P HA -0.253 nan 4.420 nan 0.000 0.217 1014 P C 0.951 178.146 177.300 -0.176 0.000 1.151 1014 P CA 1.833 64.642 63.100 -0.485 0.000 0.849 1014 P CB 0.219 31.648 31.700 -0.451 0.000 0.787 1015 E N -0.902 119.240 120.200 -0.096 0.000 2.333 1015 E HA -0.194 4.156 4.350 0.000 0.000 0.198 1015 E C 1.036 177.624 176.600 -0.019 0.000 1.007 1015 E CA 1.134 57.509 56.400 -0.041 0.000 0.845 1015 E CB -0.612 29.078 29.700 -0.017 0.000 0.766 1015 E HN 0.255 nan 8.360 nan 0.000 0.507 1016 D N 0.520 120.920 120.400 -0.001 0.000 2.201 1016 D HA 0.058 4.699 4.640 0.000 0.000 0.209 1016 D C 0.194 176.534 176.300 0.066 0.000 0.961 1016 D CA 0.690 54.722 54.000 0.054 0.000 0.861 1016 D CB 0.879 41.730 40.800 0.085 0.000 0.997 1016 D HN 0.030 nan 8.370 nan 0.000 0.486 1017 V N 1.740 121.643 119.914 -0.017 0.000 2.668 1017 V HA 0.380 4.500 4.120 0.000 0.000 0.304 1017 V C -0.450 175.474 176.094 -0.283 0.000 1.071 1017 V CA -0.956 61.263 62.300 -0.134 0.000 0.894 1017 V CB 2.874 34.548 31.823 -0.249 0.000 1.008 1017 V HN -0.087 nan 8.190 nan 0.000 0.425 1018 R N 2.708 123.029 120.500 -0.298 0.000 2.711 1018 R HA 0.724 5.064 4.340 0.000 0.000 0.284 1018 R C -1.368 174.708 176.300 -0.374 0.000 0.968 1018 R CA -0.500 55.446 56.100 -0.256 0.000 0.924 1018 R CB 2.172 32.430 30.300 -0.071 0.000 1.162 1018 R HN 0.588 nan 8.270 nan 0.000 0.465 1019 F N 1.318 121.286 119.950 0.031 0.000 2.507 1019 F HA 0.578 5.105 4.527 0.000 0.000 0.327 1019 F C 0.613 176.394 175.800 -0.030 0.000 1.068 1019 F CA -0.865 57.129 58.000 -0.010 0.000 0.965 1019 F CB 1.680 40.639 39.000 -0.068 0.000 1.192 1019 F HN 0.131 nan 8.300 nan 0.000 0.476 1020 I N 3.351 124.030 120.570 0.182 0.000 2.448 1020 I HA 0.324 4.494 4.170 0.000 0.000 0.281 1020 I C -1.041 175.103 176.117 0.045 0.000 1.027 1020 I CA -0.321 61.010 61.300 0.052 0.000 1.111 1020 I CB 1.275 39.288 38.000 0.022 0.000 1.236 1020 I HN 0.479 nan 8.210 nan 0.000 0.452 1021 M N 6.712 126.313 119.600 0.001 0.000 2.129 1021 M HA 0.480 4.960 4.480 0.000 0.000 0.348 1021 M C -0.659 175.627 176.300 -0.024 0.000 1.116 1021 M CA -0.597 54.684 55.300 -0.031 0.000 1.022 1021 M CB 1.750 34.304 32.600 -0.077 0.000 1.599 1021 M HN 0.290 nan 8.290 nan 0.000 0.449 1022 I N 2.830 123.394 120.570 -0.009 0.000 2.310 1022 I HA 0.197 4.367 4.170 0.000 0.000 0.287 1022 I C -0.337 175.786 176.117 0.011 0.000 1.073 1022 I CA -0.076 61.227 61.300 0.004 0.000 1.216 1022 I CB 0.366 38.381 38.000 0.026 0.000 1.415 1022 I HN 0.610 nan 8.210 nan 0.000 0.480 1023 D N 9.422 129.825 120.400 0.005 0.000 2.483 1023 D HA 0.275 4.916 4.640 0.000 0.000 0.281 1023 D C -1.255 175.052 176.300 0.011 0.000 1.174 1023 D CA -2.066 51.941 54.000 0.012 0.000 0.938 1023 D CB 1.484 42.291 40.800 0.012 0.000 1.002 1023 D HN 0.175 nan 8.370 nan 0.000 0.501 1024 P HA -0.197 nan 4.420 nan 0.000 0.215 1024 P C -0.079 177.224 177.300 0.006 0.000 1.163 1024 P CA 1.229 64.335 63.100 0.010 0.000 0.894 1024 P CB 0.467 32.175 31.700 0.014 0.000 0.791 1025 K N -0.715 119.689 120.400 0.006 0.000 2.318 1025 K HA 0.506 4.826 4.320 0.000 0.000 0.249 1025 K C 0.406 177.010 176.600 0.007 0.000 0.942 1025 K CA -0.898 55.391 56.287 0.004 0.000 0.808 1025 K CB 1.845 34.345 32.500 -0.000 0.000 1.189 1025 K HN -0.046 nan 8.250 nan 0.000 0.428 1026 M N 0.341 119.944 119.600 0.006 0.000 7.319 1026 M HA -0.312 4.168 4.480 0.000 0.000 0.181 1026 M C -0.994 175.314 176.300 0.012 0.000 0.480 1026 M CA 0.904 56.209 55.300 0.008 0.000 1.311 1026 M CB -0.590 32.014 32.600 0.008 0.000 0.421 1026 M HN 0.521 nan 8.290 nan 0.000 0.200 1027 L N 0.970 122.201 121.223 0.014 0.000 2.298 1027 L HA 0.391 4.731 4.340 0.000 0.000 0.284 1027 L C 0.082 176.964 176.870 0.019 0.000 1.013 1027 L CA -0.384 54.466 54.840 0.017 0.000 0.824 1027 L CB 1.452 43.522 42.059 0.018 0.000 1.221 1027 L HN 0.685 nan 8.230 nan 0.000 0.418 1028 E N 1.680 121.896 120.200 0.026 0.000 3.590 1028 E HA 0.159 4.509 4.350 0.000 0.000 0.223 1028 E C 1.410 178.053 176.600 0.071 0.000 1.195 1028 E CA -0.124 56.296 56.400 0.033 0.000 1.670 1028 E CB 0.237 29.953 29.700 0.028 0.000 1.578 1028 E HN 0.441 nan 8.360 nan 0.000 0.763 1029 L N 1.918 123.188 121.223 0.080 0.000 2.478 1029 L HA 0.044 4.384 4.340 0.000 0.000 0.223 1029 L C 1.983 178.959 176.870 0.177 0.000 1.140 1029 L CA 1.132 56.060 54.840 0.148 0.000 0.842 1029 L CB -0.419 41.654 42.059 0.023 0.000 0.953 1029 L HN 0.191 nan 8.230 nan 0.000 0.452 1030 S N -0.696 115.050 115.700 0.076 0.000 2.500 1030 S HA -0.143 4.327 4.470 0.000 0.000 0.239 1030 S C 1.781 176.382 174.600 0.001 0.000 0.989 1030 S CA 0.921 59.148 58.200 0.045 0.000 0.951 1030 S CB -0.509 62.706 63.200 0.025 0.000 0.759 1030 S HN 0.279 nan 8.310 nan 0.000 0.523 1031 V N 0.199 120.068 119.914 -0.076 0.000 3.305 1031 V HA 0.093 4.213 4.120 0.000 0.000 0.269 1031 V C 0.918 176.753 176.094 -0.433 0.000 1.157 1031 V CA 0.943 63.054 62.300 -0.314 0.000 1.157 1031 V CB -0.843 30.663 31.823 -0.528 0.000 0.772 1031 V HN 0.691 nan 8.190 nan 0.000 0.498 1032 Y N -0.300 119.933 120.300 -0.111 0.000 2.458 1032 Y HA 0.397 4.947 4.550 0.000 0.000 0.256 1032 Y C 1.089 176.974 175.900 -0.025 0.000 1.159 1032 Y CA -0.480 57.564 58.100 -0.092 0.000 1.261 1032 Y CB 0.148 38.520 38.460 -0.146 0.000 1.119 1032 Y HN 0.248 nan 8.280 nan 0.000 0.524 1033 E N 0.740 121.002 120.200 0.103 0.000 2.529 1033 E HA 0.256 4.607 4.350 0.000 0.000 0.259 1033 E C 1.251 177.919 176.600 0.113 0.000 0.966 1033 E CA 1.285 57.750 56.400 0.108 0.000 0.937 1033 E CB 0.164 29.910 29.700 0.077 0.000 0.923 1033 E HN 0.513 nan 8.360 nan 0.000 0.468 1034 G N 3.524 112.415 108.800 0.152 0.000 2.175 1034 G HA2 -0.289 3.671 3.960 0.000 0.000 0.244 1034 G HA3 -0.289 3.671 3.960 0.000 0.000 0.244 1034 G C 0.197 175.181 174.900 0.140 0.000 0.982 1034 G CA -0.050 45.126 45.100 0.127 0.000 0.641 1034 G HN 0.540 nan 8.290 nan 0.000 0.527 1035 I N 2.972 123.647 120.570 0.175 0.000 2.556 1035 I HA 0.284 4.454 4.170 0.000 0.000 0.284 1035 I C -0.019 176.218 176.117 0.199 0.000 1.114 1035 I CA -1.900 59.527 61.300 0.213 0.000 1.418 1035 I CB 1.073 39.196 38.000 0.205 0.000 1.394 1035 I HN -0.064 nan 8.210 nan 0.000 0.552 1036 P HA -0.191 nan 4.420 nan 0.000 0.223 1036 P C 1.043 178.320 177.300 -0.038 0.000 1.144 1036 P CA 1.636 64.757 63.100 0.036 0.000 0.783 1036 P CB -0.117 31.595 31.700 0.020 0.000 0.771 1037 H N -0.448 118.592 119.070 -0.051 0.000 2.462 1037 H HA 0.098 4.654 4.556 0.000 0.000 0.292 1037 H C 1.129 176.502 175.328 0.075 0.000 1.049 1037 H CA -0.063 55.960 56.048 -0.041 0.000 1.334 1037 H CB -0.239 29.506 29.762 -0.029 0.000 1.404 1037 H HN 0.164 nan 8.280 nan 0.000 0.544 1038 L N 2.087 123.482 121.223 0.287 0.000 2.540 1038 L HA -0.119 4.221 4.340 0.000 0.000 0.276 1038 L C 1.566 178.561 176.870 0.209 0.000 1.212 1038 L CA 0.034 55.023 54.840 0.248 0.000 0.893 1038 L CB 0.827 43.042 42.059 0.261 0.000 1.138 1038 L HN 0.216 nan 8.230 nan 0.000 0.491 1039 L N 1.777 123.054 121.223 0.089 0.000 2.270 1039 L HA 0.039 4.380 4.340 0.000 0.000 0.210 1039 L C 1.013 177.845 176.870 -0.064 0.000 1.104 1039 L CA 0.827 55.672 54.840 0.008 0.000 0.804 1039 L CB 0.176 42.155 42.059 -0.134 0.000 0.937 1039 L HN 0.742 nan 8.230 nan 0.000 0.450 1040 T N -1.394 113.020 114.554 -0.233 0.000 2.792 1040 T HA 0.237 4.587 4.350 0.000 0.000 0.303 1040 T C -1.120 173.182 174.700 -0.664 0.000 1.310 1040 T CA -0.728 60.989 62.100 -0.639 0.000 1.007 1040 T CB 1.440 70.037 68.868 -0.452 0.000 1.335 1040 T HN 0.053 nan 8.240 nan 0.000 0.504 1041 E N 1.115 120.805 120.200 -0.850 0.000 2.415 1041 E HA 0.270 4.620 4.350 0.000 0.000 0.262 1041 E C -0.086 176.399 176.600 -0.190 0.000 1.038 1041 E CA -0.503 55.660 56.400 -0.395 0.000 0.921 1041 E CB 0.537 30.070 29.700 -0.278 0.000 0.950 1041 E HN 0.391 nan 8.360 nan 0.000 0.438 1042 V N 3.211 123.079 119.914 -0.076 0.000 2.555 1042 V HA -0.104 4.016 4.120 0.000 0.000 0.299 1042 V C 0.210 176.270 176.094 -0.057 0.000 1.012 1042 V CA 0.282 62.556 62.300 -0.044 0.000 1.180 1042 V CB -0.115 31.707 31.823 -0.002 0.000 0.887 1042 V HN 0.381 nan 8.190 nan 0.000 0.476 1043 V N 5.860 125.739 119.914 -0.059 0.000 2.479 1043 V HA 0.084 4.204 4.120 0.000 0.000 0.281 1043 V C 1.150 177.229 176.094 -0.025 0.000 1.031 1043 V CA 0.512 62.781 62.300 -0.050 0.000 1.038 1043 V CB 0.753 32.548 31.823 -0.047 0.000 0.981 1043 V HN 1.071 nan 8.190 nan 0.000 0.478 1044 T N 2.248 116.788 114.554 -0.022 0.000 2.978 1044 T HA 0.065 4.415 4.350 0.000 0.000 0.248 1044 T C 0.522 175.218 174.700 -0.007 0.000 1.018 1044 T CA 0.026 62.120 62.100 -0.010 0.000 1.026 1044 T CB 0.080 68.943 68.868 -0.008 0.000 1.032 1044 T HN 0.798 nan 8.240 nan 0.000 0.485 1045 D N 0.628 121.022 120.400 -0.010 0.000 2.308 1045 D HA 0.217 4.857 4.640 0.000 0.000 0.251 1045 D C 1.147 177.446 176.300 -0.002 0.000 1.127 1045 D CA -0.151 53.845 54.000 -0.006 0.000 0.876 1045 D CB 0.962 41.757 40.800 -0.008 0.000 1.176 1045 D HN -0.163 nan 8.370 nan 0.000 0.446 1046 M N 3.030 122.632 119.600 0.002 0.000 2.296 1046 M HA -0.040 4.440 4.480 0.000 0.000 0.265 1046 M C 1.389 177.695 176.300 0.011 0.000 1.064 1046 M CA 1.650 56.955 55.300 0.008 0.000 1.109 1046 M CB 0.051 32.654 32.600 0.006 0.000 1.396 1046 M HN 0.384 nan 8.290 nan 0.000 0.430 1047 K N -0.778 119.626 120.400 0.007 0.000 2.167 1047 K HA -0.059 4.261 4.320 0.000 0.000 0.203 1047 K C 1.390 177.996 176.600 0.010 0.000 1.052 1047 K CA 1.099 57.392 56.287 0.010 0.000 0.956 1047 K CB -0.109 32.395 32.500 0.007 0.000 0.735 1047 K HN 0.228 nan 8.250 nan 0.000 0.451 1048 D N 1.112 121.513 120.400 0.003 0.000 2.178 1048 D HA -0.077 4.563 4.640 0.000 0.000 0.202 1048 D C 1.831 178.133 176.300 0.003 0.000 0.974 1048 D CA 0.992 54.990 54.000 -0.004 0.000 0.841 1048 D CB -0.115 40.672 40.800 -0.021 0.000 0.953 1048 D HN 0.184 nan 8.370 nan 0.000 0.478 1049 A N 1.108 123.934 122.820 0.009 0.000 1.883 1049 A HA -0.134 4.186 4.320 0.000 0.000 0.217 1049 A C 2.331 179.935 177.584 0.034 0.000 1.186 1049 A CA 2.428 54.477 52.037 0.021 0.000 0.624 1049 A CB -0.872 18.145 19.000 0.028 0.000 0.822 1049 A HN 0.240 nan 8.150 nan 0.000 0.444 1050 A N 0.158 122.999 122.820 0.034 0.000 1.883 1050 A HA -0.253 4.067 4.320 0.000 0.000 0.217 1050 A C 1.921 179.534 177.584 0.049 0.000 1.186 1050 A CA 1.817 53.878 52.037 0.039 0.000 0.624 1050 A CB -0.992 18.027 19.000 0.032 0.000 0.822 1050 A HN 0.746 nan 8.150 nan 0.000 0.444 1051 N N 0.028 118.755 118.700 0.046 0.000 2.104 1051 N HA -0.122 4.618 4.740 0.000 0.000 0.190 1051 N C 2.007 177.579 175.510 0.103 0.000 1.024 1051 N CA 0.998 54.087 53.050 0.065 0.000 0.853 1051 N CB -0.267 38.247 38.487 0.045 0.000 1.008 1051 N HN 0.522 nan 8.380 nan 0.000 0.424 1052 A N 1.675 124.538 122.820 0.071 0.000 1.883 1052 A HA -0.126 4.194 4.320 0.000 0.000 0.217 1052 A C 2.198 179.886 177.584 0.175 0.000 1.186 1052 A CA 1.103 53.191 52.037 0.085 0.000 0.624 1052 A CB -0.816 18.193 19.000 0.016 0.000 0.822 1052 A HN 0.163 nan 8.150 nan 0.000 0.444 1053 L N -1.244 120.049 121.223 0.116 0.000 2.012 1053 L HA -0.208 4.132 4.340 0.000 0.000 0.210 1053 L C 2.844 179.782 176.870 0.115 0.000 1.073 1053 L CA 1.833 56.736 54.840 0.105 0.000 0.748 1053 L CB -0.578 41.517 42.059 0.060 0.000 0.891 1053 L HN 0.422 nan 8.230 nan 0.000 0.431 1054 R N -0.545 120.017 120.500 0.104 0.000 2.105 1054 R HA -0.251 4.089 4.340 0.000 0.000 0.239 1054 R C 2.215 178.578 176.300 0.105 0.000 1.135 1054 R CA 2.040 58.188 56.100 0.080 0.000 0.967 1054 R CB -0.409 29.933 30.300 0.070 0.000 0.861 1054 R HN 0.432 nan 8.270 nan 0.000 0.442 1055 W N 0.584 121.880 121.300 -0.007 0.000 2.354 1055 W HA -0.263 4.397 4.660 0.000 0.000 0.315 1055 W C 2.225 178.738 176.519 -0.010 0.000 1.206 1055 W CA 1.520 58.861 57.345 -0.007 0.000 1.290 1055 W CB -0.608 28.848 29.460 -0.006 0.000 1.152 1055 W HN 0.079 nan 8.180 nan 0.000 0.489 1056 C N -0.239 119.228 119.300 0.278 0.000 2.401 1056 C HA -0.247 4.213 4.460 0.000 0.000 0.276 1056 C C 2.728 177.657 174.990 -0.102 0.000 1.233 1056 C CA 1.309 60.386 59.018 0.097 0.000 1.753 1056 C CB -1.522 26.324 27.740 0.176 0.000 2.029 1056 C HN 0.288 nan 8.230 nan 0.000 0.478 1057 V N 1.444 121.323 119.914 -0.060 0.000 2.332 1057 V HA -0.256 3.864 4.120 0.000 0.000 0.248 1057 V C 1.960 177.973 176.094 -0.135 0.000 1.055 1057 V CA 2.388 64.643 62.300 -0.074 0.000 1.038 1057 V CB -0.859 30.941 31.823 -0.038 0.000 0.651 1057 V HN 0.628 nan 8.190 nan 0.000 0.450 1058 N N -0.219 118.355 118.700 -0.211 0.000 2.216 1058 N HA -0.172 4.568 4.740 0.000 0.000 0.183 1058 N C 1.901 177.196 175.510 -0.358 0.000 1.017 1058 N CA 0.888 53.786 53.050 -0.253 0.000 0.861 1058 N CB -0.088 38.239 38.487 -0.267 0.000 0.986 1058 N HN 0.446 nan 8.380 nan 0.000 0.428 1059 E N 1.609 121.465 120.200 -0.574 0.000 2.153 1059 E HA -0.160 4.190 4.350 0.000 0.000 0.194 1059 E C 1.870 178.250 176.600 -0.367 0.000 0.988 1059 E CA 0.971 56.994 56.400 -0.628 0.000 0.811 1059 E CB -0.118 28.965 29.700 -1.027 0.000 0.746 1059 E HN 0.345 nan 8.360 nan 0.000 0.466 1060 M N -0.079 119.357 119.600 -0.273 0.000 2.132 1060 M HA -0.130 4.350 4.480 0.000 0.000 0.263 1060 M C 1.594 177.822 176.300 -0.120 0.000 1.065 1060 M CA 1.744 56.915 55.300 -0.215 0.000 1.122 1060 M CB -0.048 32.494 32.600 -0.097 0.000 1.365 1060 M HN 0.055 nan 8.290 nan 0.000 0.411 1061 E N 0.109 120.271 120.200 -0.063 0.000 2.072 1061 E HA -0.223 4.127 4.350 0.000 0.000 0.191 1061 E C 2.142 178.706 176.600 -0.060 0.000 0.985 1061 E CA 1.162 57.564 56.400 0.003 0.000 0.801 1061 E CB -0.340 29.330 29.700 -0.050 0.000 0.750 1061 E HN 0.563 nan 8.360 nan 0.000 0.452 1062 R N 1.484 121.898 120.500 -0.143 0.000 2.073 1062 R HA -0.139 4.201 4.340 0.000 0.000 0.234 1062 R C 2.291 178.506 176.300 -0.142 0.000 1.134 1062 R CA 1.437 57.450 56.100 -0.146 0.000 0.952 1062 R CB -0.019 30.178 30.300 -0.172 0.000 0.850 1062 R HN 0.045 nan 8.270 nan 0.000 0.433 1063 R N -0.861 119.504 120.500 -0.226 0.000 2.081 1063 R HA -0.169 4.171 4.340 0.000 0.000 0.235 1063 R C 2.259 178.412 176.300 -0.244 0.000 1.131 1063 R CA 1.892 57.796 56.100 -0.326 0.000 0.960 1063 R CB -0.468 29.564 30.300 -0.447 0.000 0.856 1063 R HN 0.405 nan 8.270 nan 0.000 0.436 1064 Y N 1.119 121.335 120.300 -0.140 0.000 2.224 1064 Y HA -0.203 4.347 4.550 0.000 0.000 0.289 1064 Y C 2.367 178.233 175.900 -0.057 0.000 1.146 1064 Y CA 1.076 59.120 58.100 -0.093 0.000 1.182 1064 Y CB 0.094 38.503 38.460 -0.085 0.000 0.983 1064 Y HN 0.028 nan 8.280 nan 0.000 0.524 1065 K N 0.243 120.687 120.400 0.074 0.000 2.009 1065 K HA -0.205 4.115 4.320 0.000 0.000 0.210 1065 K C 1.914 178.663 176.600 0.248 0.000 1.049 1065 K CA 1.647 57.945 56.287 0.018 0.000 0.929 1065 K CB -0.518 31.809 32.500 -0.289 0.000 0.714 1065 K HN 0.305 nan 8.250 nan 0.000 0.440 1066 L N 0.680 122.048 121.223 0.241 0.000 2.013 1066 L HA -0.216 4.124 4.340 0.000 0.000 0.212 1066 L C 2.660 179.653 176.870 0.205 0.000 1.073 1066 L CA 1.356 56.360 54.840 0.275 0.000 0.753 1066 L CB -0.491 41.635 42.059 0.111 0.000 0.890 1066 L HN 0.284 nan 8.230 nan 0.000 0.432 1067 M N -0.858 118.805 119.600 0.105 0.000 2.267 1067 M HA -0.190 4.290 4.480 0.000 0.000 0.263 1067 M C 2.355 178.751 176.300 0.160 0.000 1.063 1067 M CA 1.396 56.781 55.300 0.140 0.000 1.090 1067 M CB -0.251 32.407 32.600 0.098 0.000 1.392 1067 M HN 0.223 nan 8.290 nan 0.000 0.422 1068 S N 0.357 116.158 115.700 0.168 0.000 2.362 1068 S HA 0.005 4.475 4.470 0.000 0.000 0.221 1068 S C 2.092 176.774 174.600 0.137 0.000 1.032 1068 S CA 1.056 59.341 58.200 0.141 0.000 0.973 1068 S CB -0.299 62.984 63.200 0.138 0.000 0.849 1068 S HN 0.571 nan 8.310 nan 0.000 0.465 1069 A N 1.407 124.332 122.820 0.175 0.000 1.997 1069 A HA -0.075 4.245 4.320 0.000 0.000 0.221 1069 A C 1.824 179.442 177.584 0.057 0.000 1.172 1069 A CA 1.325 53.413 52.037 0.085 0.000 0.645 1069 A CB -0.668 18.321 19.000 -0.019 0.000 0.813 1069 A HN 0.502 nan 8.150 nan 0.000 0.454 1070 L N -1.402 119.876 121.223 0.093 0.000 2.607 1070 L HA 0.277 4.617 4.340 0.000 0.000 0.228 1070 L C 1.291 178.200 176.870 0.065 0.000 1.123 1070 L CA 0.246 55.128 54.840 0.070 0.000 0.890 1070 L CB -0.391 41.724 42.059 0.093 0.000 1.103 1070 L HN 0.518 nan 8.230 nan 0.000 0.468 1071 G N 1.571 110.416 108.800 0.075 0.000 2.351 1071 G HA2 -0.210 3.750 3.960 0.000 0.000 0.297 1071 G HA3 -0.210 3.750 3.960 0.000 0.000 0.297 1071 G C -0.465 174.476 174.900 0.068 0.000 1.054 1071 G CA 0.162 45.300 45.100 0.063 0.000 1.123 1071 G HN 0.129 nan 8.290 nan 0.000 0.512 1072 V N 0.365 120.335 119.914 0.093 0.000 2.876 1072 V HA 0.556 4.676 4.120 0.000 0.000 0.312 1072 V C 1.342 177.498 176.094 0.104 0.000 1.085 1072 V CA -0.775 61.583 62.300 0.097 0.000 0.945 1072 V CB 1.811 33.709 31.823 0.126 0.000 1.017 1072 V HN 0.515 nan 8.190 nan 0.000 0.428 1073 R N 2.056 122.611 120.500 0.092 0.000 2.075 1073 R HA 0.168 4.508 4.340 0.000 0.000 0.220 1073 R C 0.537 176.908 176.300 0.118 0.000 1.118 1073 R CA 0.917 57.077 56.100 0.100 0.000 0.986 1073 R CB 0.129 30.475 30.300 0.077 0.000 0.884 1073 R HN 0.886 nan 8.270 nan 0.000 0.439 1074 N N -0.846 117.913 118.700 0.097 0.000 2.701 1074 N HA 0.130 4.870 4.740 0.000 0.000 0.290 1074 N C 0.471 176.017 175.510 0.060 0.000 1.338 1074 N CA -0.765 52.335 53.050 0.082 0.000 0.799 1074 N CB 1.400 39.946 38.487 0.100 0.000 1.491 1074 N HN -0.178 nan 8.380 nan 0.000 0.540 1075 L N -0.060 121.169 121.223 0.011 0.000 2.127 1075 L HA -0.171 4.169 4.340 0.000 0.000 0.211 1075 L C 2.406 179.292 176.870 0.027 0.000 1.089 1075 L CA 1.938 56.748 54.840 -0.050 0.000 0.757 1075 L CB -0.795 41.133 42.059 -0.220 0.000 0.899 1075 L HN 0.869 nan 8.230 nan 0.000 0.434 1076 A N -0.240 122.616 122.820 0.060 0.000 1.902 1076 A HA -0.139 4.181 4.320 0.000 0.000 0.217 1076 A C 2.303 179.927 177.584 0.067 0.000 1.181 1076 A CA 1.597 53.679 52.037 0.074 0.000 0.623 1076 A CB -1.146 17.923 19.000 0.115 0.000 0.818 1076 A HN 0.486 nan 8.150 nan 0.000 0.443 1077 G N -1.875 106.974 108.800 0.081 0.000 2.422 1077 G HA2 -0.241 3.719 3.960 0.000 0.000 0.218 1077 G HA3 -0.241 3.719 3.960 0.000 0.000 0.218 1077 G C 1.518 176.463 174.900 0.076 0.000 1.140 1077 G CA 1.225 46.367 45.100 0.069 0.000 0.775 1077 G HN 0.597 nan 8.290 nan 0.000 0.545 1078 Y N 1.816 122.104 120.300 -0.020 0.000 2.114 1078 Y HA -0.147 4.403 4.550 0.000 0.000 0.284 1078 Y C 2.529 178.407 175.900 -0.037 0.000 1.143 1078 Y CA 2.237 60.320 58.100 -0.029 0.000 1.135 1078 Y CB -0.527 37.904 38.460 -0.049 0.000 0.980 1078 Y HN 0.291 nan 8.280 nan 0.000 0.499 1079 N N -0.126 118.545 118.700 -0.047 0.000 2.244 1079 N HA -0.154 4.586 4.740 0.000 0.000 0.183 1079 N C 1.517 176.945 175.510 -0.136 0.000 1.016 1079 N CA 1.233 54.201 53.050 -0.138 0.000 0.866 1079 N CB -0.107 38.363 38.487 -0.029 0.000 0.980 1079 N HN 0.536 nan 8.380 nan 0.000 0.430 1080 E N 0.504 120.656 120.200 -0.080 0.000 2.208 1080 E HA -0.133 4.217 4.350 0.000 0.000 0.193 1080 E C 1.587 178.134 176.600 -0.089 0.000 0.988 1080 E CA 0.721 57.085 56.400 -0.061 0.000 0.828 1080 E CB 0.133 29.818 29.700 -0.024 0.000 0.763 1080 E HN 0.172 nan 8.360 nan 0.000 0.478 1081 K N 0.891 121.213 120.400 -0.130 0.000 2.031 1081 K HA -0.059 4.261 4.320 0.000 0.000 0.205 1081 K C 1.889 178.385 176.600 -0.174 0.000 1.049 1081 K CA 0.742 56.947 56.287 -0.137 0.000 0.939 1081 K CB 0.005 32.412 32.500 -0.155 0.000 0.717 1081 K HN 0.016 nan 8.250 nan 0.000 0.438 1082 I N 0.667 121.075 120.570 -0.270 0.000 2.315 1082 I HA -0.185 3.986 4.170 0.000 0.000 0.248 1082 I C 2.159 178.189 176.117 -0.145 0.000 1.117 1082 I CA 1.410 62.561 61.300 -0.247 0.000 1.404 1082 I CB -1.276 36.518 38.000 -0.343 0.000 1.071 1082 I HN 0.133 nan 8.210 nan 0.000 0.419 1083 A N 0.376 123.124 122.820 -0.120 0.000 1.933 1083 A HA -0.228 4.092 4.320 0.000 0.000 0.218 1083 A C 2.359 179.905 177.584 -0.063 0.000 1.175 1083 A CA 1.658 53.650 52.037 -0.075 0.000 0.628 1083 A CB -0.556 18.409 19.000 -0.057 0.000 0.814 1083 A HN 0.482 nan 8.150 nan 0.000 0.444 1084 E N -0.177 119.982 120.200 -0.068 0.000 2.015 1084 E HA -0.104 4.246 4.350 0.000 0.000 0.191 1084 E C 2.226 178.795 176.600 -0.053 0.000 0.991 1084 E CA 1.004 57.372 56.400 -0.053 0.000 0.802 1084 E CB -0.280 29.389 29.700 -0.052 0.000 0.759 1084 E HN 0.512 nan 8.360 nan 0.000 0.447 1085 A N 1.111 123.891 122.820 -0.068 0.000 1.948 1085 A HA -0.260 4.060 4.320 0.000 0.000 0.220 1085 A C 1.781 179.333 177.584 -0.054 0.000 1.177 1085 A CA 2.130 54.130 52.037 -0.062 0.000 0.636 1085 A CB -0.644 18.310 19.000 -0.077 0.000 0.815 1085 A HN 0.297 nan 8.150 nan 0.000 0.449 1086 D N -0.748 119.618 120.400 -0.057 0.000 2.097 1086 D HA -0.092 4.548 4.640 0.000 0.000 0.197 1086 D C 2.227 178.506 176.300 -0.036 0.000 0.984 1086 D CA 1.067 55.039 54.000 -0.047 0.000 0.826 1086 D CB -0.293 40.478 40.800 -0.048 0.000 0.973 1086 D HN 0.436 nan 8.370 nan 0.000 0.460 1087 R N -0.335 120.144 120.500 -0.034 0.000 2.120 1087 R HA 0.017 4.358 4.340 0.000 0.000 0.234 1087 R C 1.511 177.797 176.300 -0.024 0.000 1.123 1087 R CA 0.760 56.844 56.100 -0.026 0.000 0.975 1087 R CB -0.004 30.281 30.300 -0.024 0.000 0.866 1087 R HN 0.207 nan 8.270 nan 0.000 0.446 1088 M N -0.204 119.379 119.600 -0.027 0.000 2.431 1088 M HA 0.160 4.640 4.480 0.000 0.000 0.237 1088 M C 0.418 176.703 176.300 -0.024 0.000 1.130 1088 M CA 0.259 55.545 55.300 -0.024 0.000 1.002 1088 M CB 0.015 32.600 32.600 -0.024 0.000 1.524 1088 M HN 0.169 nan 8.290 nan 0.000 0.482 1089 M N 0.772 120.356 119.600 -0.027 0.000 2.333 1089 M HA -0.238 4.242 4.480 0.000 0.000 0.199 1089 M C 0.103 176.386 176.300 -0.028 0.000 0.376 1089 M CA 0.788 56.072 55.300 -0.027 0.000 0.440 1089 M CB -1.417 31.169 32.600 -0.023 0.000 1.506 1089 M HN 0.240 nan 8.290 nan 0.000 0.889 1090 R N 1.699 122.181 120.500 -0.031 0.000 3.050 1090 R HA 0.337 4.677 4.340 0.000 0.000 0.275 1090 R C -2.284 173.993 176.300 -0.038 0.000 1.373 1090 R CA -1.612 54.470 56.100 -0.030 0.000 1.612 1090 R CB 0.526 30.809 30.300 -0.029 0.000 1.218 1090 R HN 0.081 nan 8.270 nan 0.000 0.621 1091 P HA -0.027 nan 4.420 nan 0.000 0.265 1091 P C -0.419 176.855 177.300 -0.043 0.000 1.193 1091 P CA 0.089 63.161 63.100 -0.046 0.000 0.765 1091 P CB 0.784 32.455 31.700 -0.047 0.000 0.823 1092 I N 5.539 126.078 120.570 -0.051 0.000 2.304 1092 I HA 0.224 4.394 4.170 0.000 0.000 0.291 1092 I C -1.756 174.341 176.117 -0.033 0.000 1.018 1092 I CA -2.932 58.341 61.300 -0.044 0.000 1.260 1092 I CB 0.603 38.568 38.000 -0.059 0.000 1.390 1092 I HN 0.199 nan 8.210 nan 0.000 0.475 1093 P HA 0.058 nan 4.420 nan 0.000 0.279 1093 P C -0.335 176.966 177.300 0.002 0.000 1.239 1093 P CA -0.431 62.665 63.100 -0.007 0.000 0.789 1093 P CB 1.028 32.741 31.700 0.023 0.000 0.933 1094 D N 4.489 124.902 120.400 0.022 0.000 2.479 1094 D HA -0.053 4.587 4.640 0.000 0.000 0.257 1094 D C -1.009 175.312 176.300 0.035 0.000 1.230 1094 D CA -1.360 52.677 54.000 0.062 0.000 0.912 1094 D CB 0.226 41.105 40.800 0.131 0.000 1.130 1094 D HN 0.243 nan 8.370 nan 0.000 0.515 1095 P HA -0.104 nan 4.420 nan 0.000 0.242 1095 P C 0.285 177.348 177.300 -0.394 0.000 1.197 1095 P CA 0.775 63.695 63.100 -0.300 0.000 0.765 1095 P CB -0.088 31.335 31.700 -0.462 0.000 0.936 1096 Y N -3.549 116.835 120.300 0.140 0.000 2.481 1096 Y HA 0.241 4.791 4.550 0.000 0.000 0.247 1096 Y C 1.437 177.427 175.900 0.150 0.000 1.151 1096 Y CA -1.148 57.020 58.100 0.113 0.000 1.238 1096 Y CB 0.013 38.524 38.460 0.084 0.000 1.179 1096 Y HN -0.063 nan 8.280 nan 0.000 0.524 1108 P HA 0.072 nan 4.420 nan 0.000 0.268 1108 P C -0.114 177.076 177.300 -0.183 0.000 1.189 1108 P CA -0.271 62.653 63.100 -0.293 0.000 0.771 1108 P CB 1.119 32.712 31.700 -0.178 0.000 0.822 1109 V N 2.597 122.437 119.914 -0.124 0.000 2.581 1109 V HA 0.234 4.354 4.120 0.000 0.000 0.303 1109 V C 0.790 176.862 176.094 -0.037 0.000 1.041 1109 V CA -1.012 61.243 62.300 -0.075 0.000 0.907 1109 V CB 1.579 33.354 31.823 -0.080 0.000 0.994 1109 V HN 0.429 nan 8.190 nan 0.000 0.442 1110 L N 3.801 125.016 121.223 -0.013 0.000 2.456 1110 L HA 0.316 4.656 4.340 0.000 0.000 0.272 1110 L C 0.267 177.132 176.870 -0.009 0.000 1.189 1110 L CA 0.404 55.260 54.840 0.028 0.000 0.846 1110 L CB 0.363 42.448 42.059 0.043 0.000 1.111 1110 L HN 0.661 nan 8.230 nan 0.000 0.475 1111 K N 2.050 122.472 120.400 0.036 0.000 2.378 1111 K HA 0.406 4.726 4.320 0.000 0.000 0.244 1111 K C -0.754 175.872 176.600 0.044 0.000 1.039 1111 K CA -0.922 55.370 56.287 0.008 0.000 0.863 1111 K CB 1.645 34.154 32.500 0.015 0.000 1.326 1111 K HN 0.349 nan 8.250 nan 0.000 0.460 1112 K N 1.520 121.924 120.400 0.008 0.000 2.382 1112 K HA 0.014 4.335 4.320 0.000 0.000 0.275 1112 K C -0.605 176.052 176.600 0.096 0.000 1.009 1112 K CA 0.263 56.571 56.287 0.034 0.000 0.970 1112 K CB 0.794 33.286 32.500 -0.013 0.000 0.934 1112 K HN 0.346 nan 8.250 nan 0.000 0.479 1113 E N 3.679 123.969 120.200 0.150 0.000 2.166 1113 E HA 0.265 4.616 4.350 0.000 0.000 0.275 1113 E C -2.406 174.156 176.600 -0.063 0.000 0.941 1113 E CA -2.136 54.292 56.400 0.048 0.000 0.784 1113 E CB 1.202 30.896 29.700 -0.009 0.000 1.115 1113 E HN 0.249 nan 8.360 nan 0.000 0.399 1114 P HA 0.163 nan 4.420 nan 0.000 0.282 1114 P C -0.858 176.376 177.300 -0.110 0.000 1.259 1114 P CA -0.452 62.596 63.100 -0.086 0.000 0.826 1114 P CB 0.662 32.343 31.700 -0.032 0.000 1.064 1115 Y N 0.256 120.548 120.300 -0.014 0.000 2.411 1115 Y HA 0.194 4.744 4.550 0.000 0.000 0.333 1115 Y C 1.077 176.968 175.900 -0.015 0.000 1.186 1115 Y CA 0.285 58.391 58.100 0.010 0.000 1.381 1115 Y CB 0.281 38.732 38.460 -0.015 0.000 1.273 1115 Y HN 0.092 nan 8.280 nan 0.000 0.546 1116 I N 3.827 124.526 120.570 0.215 0.000 2.355 1116 I HA 0.231 4.401 4.170 0.000 0.000 0.288 1116 I C -1.052 175.173 176.117 0.179 0.000 0.999 1116 I CA -0.718 60.666 61.300 0.141 0.000 1.163 1116 I CB 1.146 39.255 38.000 0.182 0.000 1.316 1116 I HN 0.221 nan 8.210 nan 0.000 0.454 1117 V N 7.737 127.704 119.914 0.089 0.000 2.318 1117 V HA 0.223 4.343 4.120 0.000 0.000 0.271 1117 V C 0.150 176.389 176.094 0.243 0.000 1.030 1117 V CA -0.621 61.792 62.300 0.188 0.000 0.844 1117 V CB 1.529 33.476 31.823 0.207 0.000 1.015 1117 V HN 0.377 nan 8.190 nan 0.000 0.460 1118 V N 7.129 127.161 119.914 0.197 0.000 2.408 1118 V HA 0.350 4.471 4.120 0.000 0.000 0.267 1118 V C 0.019 176.179 176.094 0.110 0.000 1.047 1118 V CA -0.244 62.142 62.300 0.144 0.000 0.937 1118 V CB 1.312 33.202 31.823 0.113 0.000 0.999 1118 V HN 0.631 nan 8.190 nan 0.000 0.472 1119 L N 5.858 127.125 121.223 0.073 0.000 2.305 1119 L HA 0.567 4.907 4.340 0.000 0.000 0.284 1119 L C -0.709 176.163 176.870 0.004 0.000 1.013 1119 L CA -0.426 54.422 54.840 0.012 0.000 0.819 1119 L CB 1.786 43.800 42.059 -0.076 0.000 1.227 1119 L HN 0.438 nan 8.230 nan 0.000 0.417 1120 V N 3.106 123.030 119.914 0.017 0.000 2.304 1120 V HA 0.192 4.312 4.120 0.000 0.000 0.278 1120 V C -0.393 175.743 176.094 0.070 0.000 1.018 1120 V CA -0.697 61.632 62.300 0.047 0.000 0.814 1120 V CB 1.392 33.261 31.823 0.075 0.000 1.021 1120 V HN 0.585 nan 8.190 nan 0.000 0.440 1121 D N 4.520 124.950 120.400 0.049 0.000 2.339 1121 D HA 0.236 4.877 4.640 0.000 0.000 0.256 1121 D C 0.485 176.833 176.300 0.081 0.000 1.214 1121 D CA 0.353 54.385 54.000 0.053 0.000 0.877 1121 D CB 0.528 41.342 40.800 0.024 0.000 1.111 1121 D HN 0.659 nan 8.370 nan 0.000 0.478 1122 E N 3.089 123.355 120.200 0.110 0.000 2.313 1122 E HA -0.269 4.081 4.350 0.000 0.000 0.190 1122 E C -0.134 176.535 176.600 0.115 0.000 1.406 1122 E CA 0.337 56.795 56.400 0.097 0.000 0.668 1122 E CB -2.036 27.686 29.700 0.036 0.000 1.135 1122 E HN 0.539 nan 8.360 nan 0.000 0.375 1123 F N 0.178 120.135 119.950 0.011 0.000 2.805 1123 F HA 0.321 4.848 4.527 0.000 0.000 0.301 1123 F C 1.646 177.451 175.800 0.009 0.000 1.196 1123 F CA 0.559 58.565 58.000 0.009 0.000 1.439 1123 F CB -0.199 38.808 39.000 0.012 0.000 1.117 1123 F HN 0.269 nan 8.300 nan 0.000 0.581 1124 A N 1.059 123.607 122.820 -0.454 0.000 1.872 1124 A HA -0.138 4.183 4.320 0.000 0.000 0.214 1124 A C 2.041 179.473 177.584 -0.252 0.000 1.187 1124 A CA 1.676 53.423 52.037 -0.484 0.000 0.614 1124 A CB -0.887 17.947 19.000 -0.277 0.000 0.826 1124 A HN 0.430 nan 8.150 nan 0.000 0.442 1125 D N 0.138 120.460 120.400 -0.131 0.000 2.133 1125 D HA -0.184 4.457 4.640 0.000 0.000 0.195 1125 D C 1.915 178.179 176.300 -0.060 0.000 0.997 1125 D CA 1.152 55.109 54.000 -0.071 0.000 0.840 1125 D CB -0.455 40.326 40.800 -0.031 0.000 0.947 1125 D HN 0.416 nan 8.370 nan 0.000 0.452 1126 L N 0.094 121.292 121.223 -0.041 0.000 2.042 1126 L HA -0.189 4.151 4.340 0.000 0.000 0.210 1126 L C 2.413 179.269 176.870 -0.024 0.000 1.076 1126 L CA 0.900 55.744 54.840 0.006 0.000 0.749 1126 L CB -0.078 42.038 42.059 0.094 0.000 0.893 1126 L HN 0.047 nan 8.230 nan 0.000 0.432 1127 M N -2.000 117.532 119.600 -0.114 0.000 2.236 1127 M HA -0.142 4.338 4.480 0.000 0.000 0.266 1127 M C 1.830 178.077 176.300 -0.088 0.000 1.070 1127 M CA 1.328 56.559 55.300 -0.114 0.000 1.137 1127 M CB -0.739 31.706 32.600 -0.259 0.000 1.378 1127 M HN 0.198 nan 8.290 nan 0.000 0.426 1128 M N -0.272 119.267 119.600 -0.101 0.000 2.696 1128 M HA -0.025 4.455 4.480 0.000 0.000 0.220 1128 M C 1.350 177.625 176.300 -0.042 0.000 1.133 1128 M CA 0.764 56.023 55.300 -0.069 0.000 1.016 1128 M CB -0.549 32.007 32.600 -0.074 0.000 1.740 1128 M HN 0.269 nan 8.290 nan 0.000 0.502 1129 T N -3.200 111.335 114.554 -0.032 0.000 3.200 1129 T HA 0.206 4.556 4.350 0.000 0.000 0.259 1129 T C 0.485 175.181 174.700 -0.007 0.000 0.855 1129 T CA 0.248 62.338 62.100 -0.017 0.000 0.865 1129 T CB 0.238 69.097 68.868 -0.015 0.000 1.270 1129 T HN -0.017 nan 8.240 nan 0.000 0.563 1130 V N 0.941 120.853 119.914 -0.003 0.000 3.329 1130 V HA 0.406 4.526 4.120 0.000 0.000 0.317 1130 V C 2.334 178.437 176.094 0.015 0.000 1.495 1130 V CA 0.228 62.533 62.300 0.008 0.000 1.105 1130 V CB 0.301 32.134 31.823 0.016 0.000 0.985 1130 V HN 0.422 nan 8.190 nan 0.000 0.475 1131 G N 1.535 110.339 108.800 0.006 0.000 2.759 1131 G HA2 -0.440 3.520 3.960 0.000 0.000 0.224 1131 G HA3 -0.440 3.520 3.960 0.000 0.000 0.224 1131 G C 1.454 176.371 174.900 0.029 0.000 1.173 1131 G CA 2.171 47.280 45.100 0.015 0.000 0.770 1131 G HN 0.505 nan 8.290 nan 0.000 0.626 1132 K N 0.286 120.698 120.400 0.019 0.000 2.025 1132 K HA 0.025 4.345 4.320 0.000 0.000 0.207 1132 K C 2.481 179.094 176.600 0.022 0.000 1.049 1132 K CA 1.634 57.933 56.287 0.019 0.000 0.933 1132 K CB -0.225 32.282 32.500 0.012 0.000 0.714 1132 K HN 0.340 nan 8.250 nan 0.000 0.438 1133 K N -0.135 120.277 120.400 0.020 0.000 2.057 1133 K HA -0.114 4.206 4.320 0.000 0.000 0.207 1133 K C 1.769 178.386 176.600 0.027 0.000 1.049 1133 K CA 1.480 57.780 56.287 0.020 0.000 0.931 1133 K CB 0.029 32.540 32.500 0.019 0.000 0.714 1133 K HN -0.009 nan 8.250 nan 0.000 0.440 1134 V N 1.550 121.487 119.914 0.038 0.000 2.261 1134 V HA -0.235 3.885 4.120 0.000 0.000 0.246 1134 V C 2.067 178.192 176.094 0.051 0.000 1.047 1134 V CA 1.907 64.239 62.300 0.053 0.000 1.015 1134 V CB -0.511 31.360 31.823 0.081 0.000 0.642 1134 V HN 0.391 nan 8.190 nan 0.000 0.446 1135 E N -0.062 120.173 120.200 0.059 0.000 2.065 1135 E HA -0.340 4.010 4.350 0.000 0.000 0.201 1135 E C 2.264 178.877 176.600 0.022 0.000 1.016 1135 E CA 1.893 58.324 56.400 0.050 0.000 0.818 1135 E CB -0.186 29.544 29.700 0.050 0.000 0.749 1135 E HN 0.698 nan 8.360 nan 0.000 0.453 1136 E N 0.570 120.781 120.200 0.018 0.000 2.065 1136 E HA -0.235 4.116 4.350 0.000 0.000 0.201 1136 E C 2.138 178.739 176.600 0.001 0.000 1.016 1136 E CA 1.283 57.688 56.400 0.008 0.000 0.818 1136 E CB -0.063 29.642 29.700 0.008 0.000 0.749 1136 E HN 0.191 nan 8.360 nan 0.000 0.453 1137 L N 0.244 121.470 121.223 0.005 0.000 2.027 1137 L HA -0.152 4.188 4.340 0.000 0.000 0.206 1137 L C 2.548 179.406 176.870 -0.020 0.000 1.074 1137 L CA 0.836 55.676 54.840 -0.001 0.000 0.745 1137 L CB -0.346 41.721 42.059 0.013 0.000 0.898 1137 L HN 0.264 nan 8.230 nan 0.000 0.433 1138 I N 0.028 120.584 120.570 -0.023 0.000 2.208 1138 I HA -0.328 3.842 4.170 0.000 0.000 0.245 1138 I C 2.811 178.874 176.117 -0.090 0.000 1.097 1138 I CA 1.254 62.514 61.300 -0.066 0.000 1.363 1138 I CB -0.463 37.499 38.000 -0.062 0.000 1.051 1138 I HN 0.236 nan 8.210 nan 0.000 0.413 1139 A N 0.743 123.531 122.820 -0.053 0.000 1.877 1139 A HA -0.262 4.058 4.320 0.000 0.000 0.216 1139 A C 2.432 179.986 177.584 -0.050 0.000 1.186 1139 A CA 1.900 53.907 52.037 -0.049 0.000 0.620 1139 A CB -0.671 18.314 19.000 -0.023 0.000 0.822 1139 A HN 0.352 nan 8.150 nan 0.000 0.443 1140 R N -0.498 119.979 120.500 -0.038 0.000 2.083 1140 R HA -0.080 4.260 4.340 0.000 0.000 0.237 1140 R C 2.069 178.346 176.300 -0.037 0.000 1.137 1140 R CA 1.596 57.678 56.100 -0.030 0.000 0.951 1140 R CB -0.409 29.878 30.300 -0.022 0.000 0.851 1140 R HN 0.525 nan 8.270 nan 0.000 0.434 1141 L N 0.103 121.287 121.223 -0.065 0.000 1.994 1141 L HA -0.154 4.186 4.340 0.000 0.000 0.208 1141 L C 2.672 179.451 176.870 -0.152 0.000 1.071 1141 L CA 1.425 56.211 54.840 -0.090 0.000 0.745 1141 L CB -0.583 41.405 42.059 -0.118 0.000 0.892 1141 L HN 0.363 nan 8.230 nan 0.000 0.431 1142 A N -0.776 121.879 122.820 -0.274 0.000 1.986 1142 A HA -0.285 4.035 4.320 0.000 0.000 0.220 1142 A C 2.158 179.746 177.584 0.008 0.000 1.171 1142 A CA 1.797 53.625 52.037 -0.348 0.000 0.640 1142 A CB -0.460 18.389 19.000 -0.252 0.000 0.811 1142 A HN 0.543 nan 8.150 nan 0.000 0.451 1143 Q N -1.161 118.640 119.800 0.001 0.000 2.083 1143 Q HA -0.035 4.305 4.340 0.000 0.000 0.198 1143 Q C 1.123 177.162 176.000 0.064 0.000 0.969 1143 Q CA 1.468 57.291 55.803 0.034 0.000 0.838 1143 Q CB 0.005 28.746 28.738 0.004 0.000 0.900 1143 Q HN 0.616 nan 8.270 nan 0.000 0.436 1144 K N -1.431 119.017 120.400 0.081 0.000 2.501 1144 K HA 0.305 4.625 4.320 0.000 0.000 0.204 1144 K C 0.774 177.511 176.600 0.229 0.000 1.067 1144 K CA 0.150 56.519 56.287 0.136 0.000 1.060 1144 K CB 1.216 33.766 32.500 0.084 0.000 0.873 1144 K HN -0.008 nan 8.250 nan 0.000 0.540 1145 A N 1.372 124.281 122.820 0.149 0.000 2.169 1145 A HA -0.056 4.265 4.320 0.000 0.000 0.212 1145 A C 2.015 179.563 177.584 -0.060 0.000 1.153 1145 A CA 0.634 52.707 52.037 0.059 0.000 0.756 1145 A CB -0.257 18.776 19.000 0.055 0.000 0.813 1145 A HN 0.235 nan 8.150 nan 0.000 0.471 1146 R N 0.277 120.751 120.500 -0.043 0.000 2.088 1146 R HA -0.153 4.188 4.340 0.000 0.000 0.232 1146 R C 2.197 178.468 176.300 -0.048 0.000 1.136 1146 R CA 1.831 57.825 56.100 -0.176 0.000 0.926 1146 R CB -0.567 29.681 30.300 -0.087 0.000 0.837 1146 R HN 0.345 nan 8.270 nan 0.000 0.429 1147 A N 0.387 123.241 122.820 0.056 0.000 2.084 1147 A HA -0.104 4.216 4.320 0.000 0.000 0.221 1147 A C 2.135 179.662 177.584 -0.095 0.000 1.161 1147 A CA 1.751 53.834 52.037 0.076 0.000 0.653 1147 A CB -0.628 18.508 19.000 0.227 0.000 0.802 1147 A HN 0.616 nan 8.150 nan 0.000 0.457 1148 A N -1.896 120.752 122.820 -0.286 0.000 2.251 1148 A HA 0.427 4.747 4.320 0.000 0.000 0.209 1148 A C 1.748 179.199 177.584 -0.222 0.000 1.187 1148 A CA 1.088 52.839 52.037 -0.476 0.000 0.823 1148 A CB -0.921 17.633 19.000 -0.743 0.000 0.846 1148 A HN 1.873 nan 8.150 nan 0.000 0.486 1149 G N -0.798 107.985 108.800 -0.029 0.000 2.143 1149 G HA2 -0.230 3.730 3.960 0.000 0.000 0.248 1149 G HA3 -0.230 3.730 3.960 0.000 0.000 0.248 1149 G C 0.035 175.100 174.900 0.274 0.000 0.991 1149 G CA 0.437 45.705 45.100 0.280 0.000 0.689 1149 G HN 0.494 nan 8.290 nan 0.000 0.522 1150 I N 0.946 121.488 120.570 -0.047 0.000 2.339 1150 I HA 0.504 4.674 4.170 0.000 0.000 0.290 1150 I C -0.040 176.009 176.117 -0.114 0.000 0.994 1150 I CA -0.935 60.387 61.300 0.036 0.000 1.191 1150 I CB 1.260 39.269 38.000 0.016 0.000 1.343 1150 I HN 0.103 nan 8.210 nan 0.000 0.458 1151 H N 5.494 124.683 119.070 0.199 0.000 2.600 1151 H HA 0.537 5.093 4.556 0.000 0.000 0.357 1151 H C -1.080 174.415 175.328 0.278 0.000 1.106 1151 H CA -0.689 55.515 56.048 0.261 0.000 1.193 1151 H CB 1.884 31.688 29.762 0.070 0.000 1.594 1151 H HN 0.309 nan 8.280 nan 0.000 0.526 1152 L N 2.823 124.373 121.223 0.546 0.000 2.322 1152 L HA 0.536 4.876 4.340 0.000 0.000 0.279 1152 L C -0.770 176.201 176.870 0.168 0.000 1.036 1152 L CA -0.516 54.444 54.840 0.200 0.000 0.807 1152 L CB 1.628 43.651 42.059 -0.060 0.000 1.226 1152 L HN 0.505 nan 8.230 nan 0.000 0.433 1153 V N 5.427 125.388 119.914 0.078 0.000 2.488 1153 V HA 0.430 4.550 4.120 0.000 0.000 0.293 1153 V C -0.518 175.564 176.094 -0.020 0.000 1.027 1153 V CA -0.573 61.754 62.300 0.045 0.000 0.862 1153 V CB 1.668 33.528 31.823 0.061 0.000 1.008 1153 V HN 0.467 nan 8.190 nan 0.000 0.428 1154 L N 4.451 125.621 121.223 -0.089 0.000 2.305 1154 L HA 0.891 5.232 4.340 0.000 0.000 0.284 1154 L C 0.270 177.118 176.870 -0.037 0.000 1.013 1154 L CA -0.491 54.243 54.840 -0.177 0.000 0.819 1154 L CB 1.811 43.502 42.059 -0.613 0.000 1.227 1154 L HN 0.698 nan 8.230 nan 0.000 0.417 1155 A N 2.290 125.162 122.820 0.087 0.000 2.337 1155 A HA 0.857 5.177 4.320 0.000 0.000 0.329 1155 A C -0.395 177.338 177.584 0.248 0.000 1.146 1155 A CA -0.447 51.678 52.037 0.145 0.000 0.800 1155 A CB 1.915 20.972 19.000 0.095 0.000 1.220 1155 A HN 0.592 nan 8.150 nan 0.000 0.472 1156 T N 0.122 114.810 114.554 0.223 0.000 2.853 1156 T HA 0.501 4.851 4.350 0.000 0.000 0.311 1156 T C -0.671 174.099 174.700 0.118 0.000 1.307 1156 T CA -0.267 61.947 62.100 0.190 0.000 1.019 1156 T CB 1.505 70.523 68.868 0.250 0.000 1.264 1156 T HN 0.622 nan 8.240 nan 0.000 0.497 1157 Q N 1.035 120.875 119.800 0.067 0.000 2.086 1157 Q HA 0.306 4.646 4.340 0.000 0.000 0.220 1157 Q C -0.020 175.998 176.000 0.031 0.000 0.792 1157 Q CA -0.068 55.765 55.803 0.050 0.000 1.062 1157 Q CB 0.930 29.685 28.738 0.028 0.000 1.198 1157 Q HN 0.337 nan 8.270 nan 0.000 0.466 1158 R N 1.318 121.830 120.500 0.020 0.000 2.748 1158 R HA 0.268 4.608 4.340 0.000 0.000 0.283 1158 R C -2.727 173.574 176.300 0.001 0.000 1.507 1158 R CA -1.578 54.519 56.100 -0.005 0.000 1.666 1158 R CB 1.022 31.297 30.300 -0.041 0.000 1.237 1158 R HN -0.061 nan 8.270 nan 0.000 0.633 1159 P HA 0.000 nan 4.420 nan 0.000 0.271 1159 P C -0.702 176.615 177.300 0.028 0.000 1.380 1159 P CA 0.295 63.425 63.100 0.050 0.000 0.992 1159 P CB 0.769 32.508 31.700 0.065 0.000 1.230 1160 S N 0.659 116.368 115.700 0.014 0.000 2.540 1160 S HA 0.238 4.708 4.470 0.000 0.000 0.275 1160 S C 0.761 175.367 174.600 0.009 0.000 1.123 1160 S CA -0.772 57.431 58.200 0.005 0.000 0.907 1160 S CB 1.153 64.345 63.200 -0.014 0.000 1.081 1160 S HN -0.014 nan 8.310 nan 0.000 0.476 1161 V N 1.404 121.326 119.914 0.013 0.000 2.944 1161 V HA -0.148 3.972 4.120 0.000 0.000 0.265 1161 V C 1.313 177.413 176.094 0.011 0.000 1.125 1161 V CA 2.002 64.312 62.300 0.018 0.000 1.145 1161 V CB -1.023 30.808 31.823 0.013 0.000 0.725 1161 V HN 0.836 nan 8.190 nan 0.000 0.510 1162 D N -0.710 119.686 120.400 -0.007 0.000 2.305 1162 D HA 0.021 4.661 4.640 0.000 0.000 0.206 1162 D C 1.902 178.174 176.300 -0.047 0.000 0.974 1162 D CA 0.707 54.693 54.000 -0.022 0.000 0.871 1162 D CB 0.485 41.265 40.800 -0.034 0.000 0.947 1162 D HN 0.407 nan 8.370 nan 0.000 0.516 1163 V N 0.723 120.601 119.914 -0.060 0.000 2.602 1163 V HA 0.035 4.155 4.120 0.000 0.000 0.235 1163 V C 1.022 177.162 176.094 0.078 0.000 1.087 1163 V CA 0.264 62.472 62.300 -0.153 0.000 1.117 1163 V CB 0.385 32.055 31.823 -0.255 0.000 0.820 1163 V HN 0.050 nan 8.190 nan 0.000 0.490 1164 I N 3.718 124.368 120.570 0.133 0.000 2.270 1164 I HA 0.134 4.304 4.170 0.000 0.000 0.294 1164 I C 0.989 177.176 176.117 0.117 0.000 1.164 1164 I CA 0.347 61.767 61.300 0.200 0.000 1.680 1164 I CB -1.518 36.569 38.000 0.144 0.000 1.494 1164 I HN 0.431 nan 8.210 nan 0.000 0.767 1165 T N 0.240 114.868 114.554 0.122 0.000 2.732 1165 T HA 0.364 4.715 4.350 0.000 0.000 0.287 1165 T C 1.585 176.320 174.700 0.057 0.000 0.993 1165 T CA -0.040 62.103 62.100 0.072 0.000 0.966 1165 T CB 1.385 70.293 68.868 0.067 0.000 1.047 1165 T HN 0.482 nan 8.240 nan 0.000 0.527 1166 G N -0.217 108.605 108.800 0.037 0.000 2.433 1166 G HA2 -0.095 3.865 3.960 0.000 0.000 0.216 1166 G HA3 -0.095 3.865 3.960 0.000 0.000 0.216 1166 G C 1.488 176.402 174.900 0.024 0.000 1.186 1166 G CA 0.625 45.741 45.100 0.026 0.000 0.779 1166 G HN 0.681 nan 8.290 nan 0.000 0.543 1167 L N 0.325 121.563 121.223 0.025 0.000 2.013 1167 L HA -0.135 4.206 4.340 0.000 0.000 0.212 1167 L C 2.922 179.802 176.870 0.016 0.000 1.073 1167 L CA 0.797 55.648 54.840 0.018 0.000 0.753 1167 L CB -0.475 41.596 42.059 0.020 0.000 0.890 1167 L HN 0.154 nan 8.230 nan 0.000 0.432 1168 I N 0.303 120.894 120.570 0.035 0.000 2.163 1168 I HA -0.296 3.874 4.170 0.000 0.000 0.243 1168 I C 2.458 178.575 176.117 -0.001 0.000 1.085 1168 I CA 1.694 63.005 61.300 0.018 0.000 1.347 1168 I CB -0.977 37.071 38.000 0.080 0.000 1.044 1168 I HN 0.312 nan 8.210 nan 0.000 0.408 1169 K N 0.687 121.098 120.400 0.019 0.000 2.211 1169 K HA -0.058 4.262 4.320 0.000 0.000 0.203 1169 K C 2.014 178.614 176.600 -0.000 0.000 1.050 1169 K CA 1.271 57.563 56.287 0.008 0.000 0.945 1169 K CB -0.119 32.392 32.500 0.017 0.000 0.732 1169 K HN 0.297 nan 8.250 nan 0.000 0.451 1170 A N 1.149 123.971 122.820 0.002 0.000 2.072 1170 A HA -0.041 4.279 4.320 0.000 0.000 0.216 1170 A C 1.304 178.887 177.584 -0.001 0.000 1.156 1170 A CA 1.034 53.072 52.037 0.000 0.000 0.701 1170 A CB -0.139 18.862 19.000 0.002 0.000 0.816 1170 A HN 0.263 nan 8.150 nan 0.000 0.458 1171 N N -1.384 117.311 118.700 -0.008 0.000 2.282 1171 N HA 0.230 4.970 4.740 0.000 0.000 0.185 1171 N C -0.790 174.721 175.510 0.001 0.000 1.099 1171 N CA 0.148 53.191 53.050 -0.011 0.000 0.878 1171 N CB 0.741 39.206 38.487 -0.036 0.000 0.993 1171 N HN 0.267 nan 8.380 nan 0.000 0.481 1172 I N 1.900 122.465 120.570 -0.007 0.000 2.428 1172 I HA 0.228 4.398 4.170 0.000 0.000 0.279 1172 I C -1.598 174.521 176.117 0.002 0.000 1.040 1172 I CA -2.323 58.984 61.300 0.011 0.000 1.171 1172 I CB 1.665 39.645 38.000 -0.033 0.000 1.312 1172 I HN -0.087 nan 8.210 nan 0.000 0.470 1173 P HA -0.060 nan 4.420 nan 0.000 0.216 1173 P C 0.353 177.616 177.300 -0.062 0.000 1.153 1173 P CA 1.042 64.131 63.100 -0.018 0.000 0.848 1173 P CB 0.106 31.803 31.700 -0.004 0.000 0.787 1174 T N 2.434 116.950 114.554 -0.063 0.000 2.806 1174 T HA 0.387 4.737 4.350 0.000 0.000 0.290 1174 T C 0.274 174.897 174.700 -0.129 0.000 0.966 1174 T CA -0.322 61.691 62.100 -0.144 0.000 1.060 1174 T CB 0.825 69.628 68.868 -0.108 0.000 0.927 1174 T HN 0.065 nan 8.240 nan 0.000 0.485 1175 R N 2.560 122.938 120.500 -0.203 0.000 2.673 1175 R HA 0.634 4.974 4.340 0.000 0.000 0.281 1175 R C -1.076 175.135 176.300 -0.149 0.000 0.991 1175 R CA -0.845 55.180 56.100 -0.125 0.000 0.896 1175 R CB 2.211 32.460 30.300 -0.086 0.000 1.201 1175 R HN 0.507 nan 8.270 nan 0.000 0.457 1176 I N 1.471 122.007 120.570 -0.057 0.000 2.436 1176 I HA 0.429 4.599 4.170 0.000 0.000 0.289 1176 I C -0.436 175.638 176.117 -0.073 0.000 1.010 1176 I CA -0.792 60.464 61.300 -0.072 0.000 1.098 1176 I CB 2.137 40.112 38.000 -0.042 0.000 1.266 1176 I HN 0.667 nan 8.210 nan 0.000 0.434 1177 A N 6.986 129.731 122.820 -0.124 0.000 2.277 1177 A HA 0.687 5.008 4.320 0.000 0.000 0.318 1177 A C -0.774 176.745 177.584 -0.109 0.000 1.339 1177 A CA -0.319 51.688 52.037 -0.050 0.000 0.875 1177 A CB 0.135 19.126 19.000 -0.016 0.000 1.158 1177 A HN 0.526 nan 8.150 nan 0.000 0.514 1178 F N 0.853 120.835 119.950 0.054 0.000 2.368 1178 F HA 0.302 4.830 4.527 0.000 0.000 0.308 1178 F C 1.582 177.410 175.800 0.047 0.000 1.198 1178 F CA 0.284 58.317 58.000 0.054 0.000 1.130 1178 F CB 0.685 39.718 39.000 0.055 0.000 1.300 1178 F HN 0.490 nan 8.300 nan 0.000 0.537 1179 T N 2.388 117.092 114.554 0.250 0.000 2.849 1179 T HA 0.319 4.669 4.350 0.000 0.000 0.289 1179 T C -0.185 174.588 174.700 0.122 0.000 1.010 1179 T CA -0.200 61.987 62.100 0.145 0.000 1.161 1179 T CB -0.406 68.535 68.868 0.122 0.000 0.989 1179 T HN 0.475 nan 8.240 nan 0.000 0.523 1180 V N 0.838 120.804 119.914 0.087 0.000 3.019 1180 V HA 0.643 4.763 4.120 0.000 0.000 0.317 1180 V C 1.096 177.220 176.094 0.050 0.000 1.094 1180 V CA -0.474 61.867 62.300 0.069 0.000 1.000 1180 V CB 1.809 33.669 31.823 0.062 0.000 1.060 1180 V HN 0.804 nan 8.190 nan 0.000 0.443 1181 S N 0.350 116.074 115.700 0.041 0.000 2.461 1181 S HA 0.122 4.592 4.470 0.000 0.000 0.228 1181 S C 0.846 175.462 174.600 0.026 0.000 1.005 1181 S CA 0.528 58.746 58.200 0.031 0.000 0.942 1181 S CB -0.548 62.668 63.200 0.025 0.000 0.776 1181 S HN 1.722 nan 8.310 nan 0.000 0.514 1182 S N -0.489 115.227 115.700 0.026 0.000 2.638 1182 S HA 0.532 5.002 4.470 0.000 0.000 0.274 1182 S C 0.060 174.673 174.600 0.022 0.000 1.157 1182 S CA -1.057 57.156 58.200 0.021 0.000 0.826 1182 S CB 1.553 64.764 63.200 0.018 0.000 1.139 1182 S HN 0.031 nan 8.310 nan 0.000 0.474 1183 K N 0.447 120.858 120.400 0.017 0.000 2.057 1183 K HA -0.041 4.279 4.320 0.000 0.000 0.207 1183 K C 1.995 178.604 176.600 0.016 0.000 1.049 1183 K CA 1.950 58.247 56.287 0.015 0.000 0.931 1183 K CB -0.748 31.759 32.500 0.012 0.000 0.714 1183 K HN 0.759 nan 8.250 nan 0.000 0.440 1184 I N -0.949 119.630 120.570 0.015 0.000 2.394 1184 I HA -0.202 3.968 4.170 0.000 0.000 0.251 1184 I C 1.498 177.627 176.117 0.019 0.000 1.136 1184 I CA 1.492 62.801 61.300 0.015 0.000 1.425 1184 I CB -0.212 37.796 38.000 0.013 0.000 1.079 1184 I HN -0.017 nan 8.210 nan 0.000 0.425 1185 D N 1.135 121.549 120.400 0.023 0.000 2.097 1185 D HA -0.192 4.449 4.640 0.000 0.000 0.195 1185 D C 2.332 178.651 176.300 0.032 0.000 0.989 1185 D CA 1.918 55.935 54.000 0.029 0.000 0.827 1185 D CB -0.013 40.807 40.800 0.033 0.000 0.966 1185 D HN 0.441 nan 8.370 nan 0.000 0.456 1186 S N 0.279 115.996 115.700 0.029 0.000 2.370 1186 S HA -0.164 4.306 4.470 0.000 0.000 0.226 1186 S C 1.973 176.584 174.600 0.018 0.000 1.033 1186 S CA 1.055 59.270 58.200 0.025 0.000 1.011 1186 S CB 0.057 63.270 63.200 0.021 0.000 0.852 1186 S HN 0.127 nan 8.310 nan 0.000 0.457 1187 R N -0.119 120.391 120.500 0.016 0.000 2.096 1187 R HA -0.035 4.305 4.340 0.000 0.000 0.235 1187 R C 2.447 178.756 176.300 0.015 0.000 1.127 1187 R CA 1.879 57.986 56.100 0.012 0.000 0.968 1187 R CB -0.720 29.586 30.300 0.010 0.000 0.861 1187 R HN 0.411 nan 8.270 nan 0.000 0.440 1188 T N 1.119 115.686 114.554 0.021 0.000 2.833 1188 T HA -0.083 4.267 4.350 0.000 0.000 0.269 1188 T C 1.697 176.416 174.700 0.032 0.000 1.054 1188 T CA 0.907 63.023 62.100 0.028 0.000 1.135 1188 T CB -0.011 68.878 68.868 0.034 0.000 0.869 1188 T HN 0.051 nan 8.240 nan 0.000 0.466 1189 I N 0.854 121.443 120.570 0.032 0.000 2.188 1189 I HA 0.053 4.223 4.170 0.000 0.000 0.237 1189 I C 2.035 178.156 176.117 0.006 0.000 1.073 1189 I CA 1.466 62.784 61.300 0.031 0.000 1.359 1189 I CB -1.085 36.936 38.000 0.035 0.000 1.083 1189 I HN 0.253 nan 8.210 nan 0.000 0.412 1190 L N -0.320 120.901 121.223 -0.003 0.000 2.640 1190 L HA 0.177 4.517 4.340 0.000 0.000 0.230 1190 L C -0.321 176.539 176.870 -0.016 0.000 1.123 1190 L CA 0.045 54.872 54.840 -0.021 0.000 0.900 1190 L CB -0.313 41.730 42.059 -0.027 0.000 1.146 1190 L HN 0.204 nan 8.230 nan 0.000 0.484 1191 D N 0.782 121.180 120.400 -0.005 0.000 2.800 1191 D HA -0.226 4.414 4.640 0.000 0.000 0.232 1191 D C 0.188 176.485 176.300 -0.005 0.000 1.137 1191 D CA 0.861 54.859 54.000 -0.003 0.000 0.718 1191 D CB -0.663 40.133 40.800 -0.007 0.000 1.084 1191 D HN 0.555 nan 8.370 nan 0.000 0.432 1192 Q N -1.171 118.627 119.800 -0.003 0.000 2.646 1192 Q HA 0.570 4.910 4.340 0.000 0.000 0.260 1192 Q C -1.584 174.417 176.000 0.001 0.000 0.975 1192 Q CA -0.395 55.406 55.803 -0.003 0.000 0.936 1192 Q CB 0.967 29.701 28.738 -0.008 0.000 1.591 1192 Q HN 0.179 nan 8.270 nan 0.000 0.412 1193 A N 0.903 123.725 122.820 0.003 0.000 2.327 1193 A HA 0.807 5.128 4.320 0.000 0.000 0.255 1193 A C 0.994 178.582 177.584 0.007 0.000 1.099 1193 A CA 0.935 52.975 52.037 0.006 0.000 0.801 1193 A CB 0.297 19.301 19.000 0.006 0.000 1.062 1193 A HN 1.603 nan 8.150 nan 0.000 0.496 1194 G N -1.701 107.106 108.800 0.011 0.000 3.033 1194 G HA2 0.131 4.091 3.960 0.000 0.000 0.196 1194 G HA3 0.131 4.091 3.960 0.000 0.000 0.196 1194 G C 1.285 176.197 174.900 0.019 0.000 1.078 1194 G CA 0.787 45.895 45.100 0.013 0.000 0.805 1194 G HN 1.769 nan 8.290 nan 0.000 0.472 1195 A N 1.097 123.929 122.820 0.019 0.000 2.125 1195 A HA 0.252 4.572 4.320 0.000 0.000 0.219 1195 A C 1.748 179.357 177.584 0.041 0.000 1.156 1195 A CA 2.256 54.310 52.037 0.028 0.000 0.671 1195 A CB -0.410 18.607 19.000 0.028 0.000 0.794 1195 A HN 0.828 nan 8.150 nan 0.000 0.459 1196 E N -0.438 119.782 120.200 0.034 0.000 2.445 1196 E HA 0.197 4.547 4.350 0.000 0.000 0.189 1196 E C 0.651 177.270 176.600 0.032 0.000 1.069 1196 E CA 0.659 57.080 56.400 0.034 0.000 0.871 1196 E CB -0.115 29.601 29.700 0.027 0.000 0.991 1196 E HN 0.227 nan 8.360 nan 0.000 0.481 1197 S N 0.027 115.747 115.700 0.033 0.000 2.749 1197 S HA 0.316 4.786 4.470 0.000 0.000 0.246 1197 S C 0.076 174.702 174.600 0.044 0.000 1.023 1197 S CA -0.499 57.720 58.200 0.033 0.000 1.012 1197 S CB 0.153 63.369 63.200 0.027 0.000 0.942 1197 S HN 0.171 nan 8.310 nan 0.000 0.531 1198 L N 1.206 122.461 121.223 0.053 0.000 2.399 1198 L HA 0.444 4.784 4.340 0.000 0.000 0.265 1198 L C 0.560 177.469 176.870 0.066 0.000 1.089 1198 L CA -0.536 54.346 54.840 0.070 0.000 0.802 1198 L CB 0.753 42.862 42.059 0.084 0.000 1.180 1198 L HN 0.168 nan 8.230 nan 0.000 0.454 1199 L N 1.838 123.102 121.223 0.068 0.000 2.737 1199 L HA 0.255 4.595 4.340 0.000 0.000 0.236 1199 L C 1.112 178.012 176.870 0.049 0.000 1.219 1199 L CA -0.213 54.654 54.840 0.044 0.000 1.021 1199 L CB -1.245 40.825 42.059 0.020 0.000 1.291 1199 L HN 0.937 nan 8.230 nan 0.000 0.470 1200 G N 0.484 109.331 108.800 0.078 0.000 2.707 1200 G HA2 -0.363 3.597 3.960 0.000 0.000 0.279 1200 G HA3 -0.363 3.597 3.960 0.000 0.000 0.279 1200 G C 0.361 175.311 174.900 0.083 0.000 1.345 1200 G CA -0.006 45.145 45.100 0.086 0.000 0.912 1200 G HN 0.435 nan 8.290 nan 0.000 0.563 1201 M N -0.581 119.057 119.600 0.063 0.000 2.249 1201 M HA -0.205 4.276 4.480 0.000 0.000 0.198 1201 M C 1.710 178.071 176.300 0.103 0.000 0.394 1201 M CA 1.830 57.156 55.300 0.043 0.000 0.427 1201 M CB -1.795 30.793 32.600 -0.020 0.000 1.307 1201 M HN 2.865 nan 8.290 nan 0.000 0.924 1202 G N -1.197 107.725 108.800 0.203 0.000 2.313 1202 G HA2 -0.224 3.736 3.960 0.000 0.000 0.215 1202 G HA3 -0.224 3.736 3.960 0.000 0.000 0.215 1202 G C -0.133 175.018 174.900 0.418 0.000 1.023 1202 G CA 0.069 45.379 45.100 0.349 0.000 0.626 1202 G HN 0.581 nan 8.290 nan 0.000 0.503 1203 D N 2.132 122.704 120.400 0.286 0.000 2.586 1203 D HA 0.419 5.059 4.640 0.000 0.000 0.234 1203 D C 0.959 177.350 176.300 0.152 0.000 1.132 1203 D CA 1.267 55.416 54.000 0.248 0.000 0.860 1203 D CB -0.064 40.858 40.800 0.202 0.000 1.159 1203 D HN 0.792 nan 8.370 nan 0.000 0.490 1204 M N 1.522 121.112 119.600 -0.015 0.000 2.716 1204 M HA 0.547 5.027 4.480 0.000 0.000 0.278 1204 M C -1.632 174.580 176.300 -0.146 0.000 1.281 1204 M CA -1.079 54.083 55.300 -0.230 0.000 0.814 1204 M CB 1.773 33.968 32.600 -0.675 0.000 1.719 1204 M HN 0.074 nan 8.290 nan 0.000 0.457 1205 L N 1.984 123.117 121.223 -0.150 0.000 2.372 1205 L HA 0.520 4.860 4.340 0.000 0.000 0.274 1205 L C -1.755 175.092 176.870 -0.039 0.000 0.988 1205 L CA -0.701 54.100 54.840 -0.065 0.000 0.833 1205 L CB 1.861 43.894 42.059 -0.043 0.000 1.236 1205 L HN 0.727 nan 8.230 nan 0.000 0.410 1206 Y N 2.726 122.947 120.300 -0.131 0.000 2.323 1206 Y HA 0.420 4.970 4.550 0.000 0.000 0.331 1206 Y C 0.022 175.880 175.900 -0.070 0.000 1.092 1206 Y CA -0.091 57.943 58.100 -0.109 0.000 1.150 1206 Y CB 1.851 40.249 38.460 -0.102 0.000 1.200 1206 Y HN 0.454 nan 8.280 nan 0.000 0.472 1207 S N 5.039 120.399 115.700 -0.566 0.000 2.389 1207 S HA 0.492 4.962 4.470 0.000 0.000 0.201 1207 S C -0.105 174.177 174.600 -0.530 0.000 1.422 1207 S CA -0.286 57.664 58.200 -0.416 0.000 1.216 1207 S CB -0.525 62.549 63.200 -0.209 0.000 1.130 1207 S HN 1.157 nan 8.310 nan 0.000 0.465 1208 G N 3.651 112.124 108.800 -0.544 0.000 2.651 1208 G HA2 0.367 4.327 3.960 0.000 0.000 0.260 1208 G HA3 0.367 4.327 3.960 0.000 0.000 0.260 1208 G C -1.282 173.527 174.900 -0.152 0.000 1.216 1208 G CA -1.024 43.878 45.100 -0.329 0.000 0.913 1208 G HN 0.502 nan 8.290 nan 0.000 0.535 1209 P HA -0.014 nan 4.420 nan 0.000 0.235 1209 P C 0.423 177.706 177.300 -0.028 0.000 1.177 1209 P CA 0.614 63.684 63.100 -0.049 0.000 0.785 1209 P CB 0.355 32.036 31.700 -0.030 0.000 0.885 1210 N N -0.142 118.548 118.700 -0.018 0.000 2.455 1210 N HA 0.209 4.949 4.740 0.000 0.000 0.258 1210 N C -0.333 175.175 175.510 -0.004 0.000 1.158 1210 N CA -0.142 52.905 53.050 -0.005 0.000 0.893 1210 N CB 0.204 38.695 38.487 0.007 0.000 1.173 1210 N HN -0.018 nan 8.380 nan 0.000 0.503 1211 S N -1.713 113.978 115.700 -0.014 0.000 2.680 1211 S HA 0.128 4.598 4.470 0.000 0.000 0.284 1211 S C 0.138 174.724 174.600 -0.023 0.000 1.055 1211 S CA -0.604 57.589 58.200 -0.012 0.000 0.849 1211 S CB 0.809 64.009 63.200 -0.001 0.000 1.068 1211 S HN 0.041 nan 8.310 nan 0.000 0.453 1212 T N 2.535 117.078 114.554 -0.017 0.000 3.037 1212 T HA 0.312 4.662 4.350 0.000 0.000 0.252 1212 T C 0.440 175.128 174.700 -0.019 0.000 1.073 1212 T CA 0.312 62.400 62.100 -0.020 0.000 1.091 1212 T CB -0.201 68.658 68.868 -0.014 0.000 0.935 1212 T HN 0.461 nan 8.240 nan 0.000 0.488 1213 L N 4.129 125.344 121.223 -0.012 0.000 2.319 1213 L HA 0.333 4.673 4.340 0.000 0.000 0.280 1213 L C -1.989 174.878 176.870 -0.006 0.000 1.099 1213 L CA -1.922 52.914 54.840 -0.007 0.000 0.828 1213 L CB 0.348 42.406 42.059 -0.000 0.000 1.150 1213 L HN 0.003 nan 8.230 nan 0.000 0.442 1214 P HA 0.259 nan 4.420 nan 0.000 0.279 1214 P C -0.966 176.344 177.300 0.018 0.000 1.252 1214 P CA -0.399 62.697 63.100 -0.007 0.000 0.811 1214 P CB 2.028 33.716 31.700 -0.019 0.000 1.035 1215 V N 2.447 122.392 119.914 0.051 0.000 2.487 1215 V HA 0.365 4.485 4.120 0.000 0.000 0.298 1215 V C 0.674 176.770 176.094 0.003 0.000 1.028 1215 V CA -0.832 61.491 62.300 0.038 0.000 0.860 1215 V CB 1.512 33.378 31.823 0.072 0.000 0.991 1215 V HN 0.554 nan 8.190 nan 0.000 0.427 1216 R N 3.463 123.936 120.500 -0.046 0.000 2.340 1216 R HA 0.652 4.993 4.340 0.000 0.000 0.300 1216 R C -1.361 174.810 176.300 -0.215 0.000 1.069 1216 R CA -0.094 55.945 56.100 -0.101 0.000 0.984 1216 R CB 1.107 31.358 30.300 -0.082 0.000 1.003 1216 R HN 0.545 nan 8.270 nan 0.000 0.459 1217 V N 4.643 124.414 119.914 -0.239 0.000 2.709 1217 V HA 0.245 4.365 4.120 0.000 0.000 0.308 1217 V C -0.835 175.105 176.094 -0.256 0.000 1.062 1217 V CA -0.962 61.159 62.300 -0.300 0.000 0.901 1217 V CB 1.971 33.682 31.823 -0.186 0.000 1.003 1217 V HN 0.811 nan 8.190 nan 0.000 0.425 1218 H N 3.035 122.105 119.070 -0.000 0.000 2.872 1218 H HA 0.351 4.908 4.556 0.000 0.000 0.273 1218 H C 0.790 176.146 175.328 0.047 0.000 1.205 1218 H CA -0.138 55.926 56.048 0.027 0.000 1.342 1218 H CB 0.942 30.714 29.762 0.017 0.000 1.469 1218 H HN 0.846 nan 8.280 nan 0.000 0.487 1219 G N 1.960 110.873 108.800 0.189 0.000 2.464 1219 G HA2 0.174 4.134 3.960 0.000 0.000 0.231 1219 G HA3 0.174 4.134 3.960 0.000 0.000 0.231 1219 G C 0.373 175.371 174.900 0.163 0.000 1.267 1219 G CA -0.019 45.200 45.100 0.199 0.000 0.863 1219 G HN 0.777 nan 8.290 nan 0.000 0.559 1220 A N 1.344 124.234 122.820 0.116 0.000 2.425 1220 A HA 0.537 4.857 4.320 0.000 0.000 0.242 1220 A C -0.437 177.219 177.584 0.120 0.000 1.077 1220 A CA -0.229 51.858 52.037 0.084 0.000 0.781 1220 A CB 0.434 19.449 19.000 0.024 0.000 1.020 1220 A HN 0.901 nan 8.150 nan 0.000 0.494 1221 F N 2.241 122.148 119.950 -0.072 0.000 2.443 1221 F HA 0.582 5.109 4.527 0.000 0.000 0.335 1221 F C -0.380 175.390 175.800 -0.050 0.000 1.104 1221 F CA -0.765 57.183 58.000 -0.087 0.000 1.013 1221 F CB 1.771 40.661 39.000 -0.183 0.000 1.136 1221 F HN 0.473 nan 8.300 nan 0.000 0.470 1222 V N 7.299 126.621 119.914 -0.986 0.000 2.733 1222 V HA 0.534 4.654 4.120 0.000 0.000 0.306 1222 V C -0.822 174.717 176.094 -0.925 0.000 1.084 1222 V CA -0.781 61.089 62.300 -0.716 0.000 0.905 1222 V CB 1.748 33.387 31.823 -0.307 0.000 1.010 1222 V HN 0.861 nan 8.190 nan 0.000 0.424 1223 R N 4.159 124.304 120.500 -0.591 0.000 2.491 1223 R HA 0.195 4.535 4.340 0.000 0.000 0.283 1223 R C 0.520 176.733 176.300 -0.145 0.000 1.072 1223 R CA -0.336 55.586 56.100 -0.297 0.000 1.048 1223 R CB 0.542 30.813 30.300 -0.049 0.000 0.983 1223 R HN 0.750 nan 8.270 nan 0.000 0.450 1224 D N 1.602 121.963 120.400 -0.065 0.000 2.190 1224 D HA -0.198 4.442 4.640 0.000 0.000 0.200 1224 D C 1.711 178.099 176.300 0.147 0.000 0.992 1224 D CA 1.474 55.486 54.000 0.020 0.000 0.854 1224 D CB 0.208 41.043 40.800 0.058 0.000 0.936 1224 D HN 0.443 nan 8.370 nan 0.000 0.462 1225 Q N 0.945 120.796 119.800 0.085 0.000 2.079 1225 Q HA -0.123 4.217 4.340 0.000 0.000 0.200 1225 Q C 1.720 177.777 176.000 0.094 0.000 0.974 1225 Q CA 1.442 57.293 55.803 0.080 0.000 0.840 1225 Q CB -0.122 28.624 28.738 0.014 0.000 0.898 1225 Q HN 0.375 nan 8.270 nan 0.000 0.430 1226 E N -0.918 119.307 120.200 0.043 0.000 2.110 1226 E HA -0.140 4.210 4.350 0.000 0.000 0.193 1226 E C 1.966 178.590 176.600 0.039 0.000 0.988 1226 E CA 1.319 57.744 56.400 0.041 0.000 0.804 1226 E CB -0.027 29.679 29.700 0.010 0.000 0.745 1226 E HN 0.177 nan 8.360 nan 0.000 0.458 1227 V N 1.024 120.931 119.914 -0.012 0.000 2.332 1227 V HA -0.277 3.843 4.120 0.000 0.000 0.248 1227 V C 1.875 177.869 176.094 -0.167 0.000 1.055 1227 V CA 2.154 64.387 62.300 -0.112 0.000 1.038 1227 V CB -0.626 31.053 31.823 -0.240 0.000 0.651 1227 V HN 0.270 nan 8.190 nan 0.000 0.450 1228 H N 0.121 119.124 119.070 -0.111 0.000 2.326 1228 H HA -0.011 4.545 4.556 0.000 0.000 0.301 1228 H C 2.289 177.593 175.328 -0.041 0.000 1.081 1228 H CA 1.749 57.742 56.048 -0.092 0.000 1.334 1228 H CB -0.548 29.172 29.762 -0.070 0.000 1.385 1228 H HN 0.415 nan 8.280 nan 0.000 0.504 1229 A N 0.369 123.257 122.820 0.114 0.000 1.869 1229 A HA -0.227 4.093 4.320 0.000 0.000 0.218 1229 A C 2.614 180.232 177.584 0.058 0.000 1.203 1229 A CA 2.300 54.380 52.037 0.072 0.000 0.638 1229 A CB -1.141 17.899 19.000 0.067 0.000 0.831 1229 A HN 0.254 nan 8.150 nan 0.000 0.450 1230 V N -0.546 119.411 119.914 0.072 0.000 2.343 1230 V HA -0.236 3.884 4.120 0.000 0.000 0.247 1230 V C 2.564 178.742 176.094 0.140 0.000 1.051 1230 V CA 1.975 64.333 62.300 0.096 0.000 1.036 1230 V CB -0.758 31.165 31.823 0.166 0.000 0.654 1230 V HN 0.382 nan 8.190 nan 0.000 0.451 1231 V N -0.724 119.234 119.914 0.072 0.000 2.407 1231 V HA -0.248 3.872 4.120 0.000 0.000 0.248 1231 V C 2.588 178.756 176.094 0.123 0.000 1.055 1231 V CA 1.729 64.081 62.300 0.086 0.000 1.049 1231 V CB -0.566 31.189 31.823 -0.113 0.000 0.662 1231 V HN 0.509 nan 8.190 nan 0.000 0.455 1232 Q N -0.319 119.525 119.800 0.073 0.000 2.050 1232 Q HA -0.228 4.112 4.340 0.000 0.000 0.202 1232 Q C 2.223 178.257 176.000 0.055 0.000 0.980 1232 Q CA 1.907 57.749 55.803 0.065 0.000 0.840 1232 Q CB -0.715 28.052 28.738 0.048 0.000 0.898 1232 Q HN 0.708 nan 8.270 nan 0.000 0.424 1233 D N -0.800 119.611 120.400 0.018 0.000 2.158 1233 D HA -0.199 4.442 4.640 0.000 0.000 0.197 1233 D C 1.536 177.769 176.300 -0.112 0.000 0.995 1233 D CA 0.965 54.917 54.000 -0.079 0.000 0.846 1233 D CB -0.119 40.588 40.800 -0.155 0.000 0.941 1233 D HN 0.293 nan 8.370 nan 0.000 0.456 1234 W N 0.774 122.082 121.300 0.014 0.000 2.453 1234 W HA 0.048 4.708 4.660 0.000 0.000 0.289 1234 W C 2.627 179.177 176.519 0.052 0.000 1.215 1234 W CA 0.376 57.753 57.345 0.054 0.000 1.297 1234 W CB 0.160 29.690 29.460 0.117 0.000 1.113 1234 W HN -0.090 nan 8.180 nan 0.000 0.551 1235 K N -0.103 120.458 120.400 0.269 0.000 2.365 1235 K HA -0.015 4.305 4.320 0.000 0.000 0.199 1235 K C 1.983 178.644 176.600 0.101 0.000 1.045 1235 K CA 0.947 57.338 56.287 0.173 0.000 0.962 1235 K CB -0.227 32.347 32.500 0.123 0.000 0.759 1235 K HN 0.075 nan 8.250 nan 0.000 0.469 1236 A N 1.348 124.206 122.820 0.064 0.000 2.067 1236 A HA -0.069 4.251 4.320 0.000 0.000 0.217 1236 A C 1.733 179.322 177.584 0.008 0.000 1.156 1236 A CA 0.738 52.785 52.037 0.016 0.000 0.683 1236 A CB -0.092 18.896 19.000 -0.020 0.000 0.808 1236 A HN 0.174 nan 8.150 nan 0.000 0.455 1237 R N -0.744 119.771 120.500 0.026 0.000 2.310 1237 R HA 0.312 4.652 4.340 0.000 0.000 0.202 1237 R C 0.624 176.964 176.300 0.066 0.000 0.933 1237 R CA 0.530 56.645 56.100 0.023 0.000 1.054 1237 R CB 0.026 30.327 30.300 0.001 0.000 0.985 1237 R HN 0.534 nan 8.270 nan 0.000 0.489 1238 G N 1.299 110.146 108.800 0.077 0.000 2.326 1238 G HA2 -0.080 3.880 3.960 0.000 0.000 0.413 1238 G HA3 -0.080 3.880 3.960 0.000 0.000 0.413 1238 G C -1.430 173.503 174.900 0.056 0.000 1.444 1238 G CA -1.204 43.928 45.100 0.053 0.000 1.002 1238 G HN 0.225 nan 8.290 nan 0.000 0.649 1239 R N 0.413 120.915 120.500 0.004 0.000 2.573 1239 R HA 0.765 5.105 4.340 0.000 0.000 0.272 1239 R C -2.331 173.915 176.300 -0.090 0.000 1.009 1239 R CA -1.545 54.533 56.100 -0.036 0.000 1.059 1239 R CB 1.486 31.741 30.300 -0.075 0.000 1.112 1239 R HN 0.456 nan 8.270 nan 0.000 0.517 1240 P HA -0.042 nan 4.420 nan 0.000 0.268 1240 P C -1.062 176.038 177.300 -0.333 0.000 1.204 1240 P CA -0.213 62.776 63.100 -0.185 0.000 0.768 1240 P CB 0.973 32.616 31.700 -0.095 0.000 0.842 1241 Q N 3.253 122.960 119.800 -0.155 0.000 2.566 1241 Q HA 0.189 4.529 4.340 0.000 0.000 0.221 1241 Q C -0.654 175.347 176.000 0.001 0.000 1.195 1241 Q CA -0.430 55.307 55.803 -0.111 0.000 0.967 1241 Q CB -0.990 27.720 28.738 -0.046 0.000 1.337 1241 Q HN 0.347 nan 8.270 nan 0.000 0.553 1242 Y N 0.861 121.146 120.300 -0.025 0.000 2.546 1242 Y HA 0.107 4.657 4.550 0.000 0.000 0.351 1242 Y C 0.334 176.201 175.900 -0.055 0.000 1.266 1242 Y CA -0.685 57.386 58.100 -0.048 0.000 1.487 1242 Y CB 0.704 39.136 38.460 -0.046 0.000 1.365 1242 Y HN 0.162 nan 8.280 nan 0.000 0.642 1243 V N 2.403 122.364 119.914 0.078 0.000 2.495 1243 V HA 0.127 4.247 4.120 0.000 0.000 0.298 1243 V C -0.541 175.523 176.094 -0.050 0.000 1.031 1243 V CA -0.958 61.340 62.300 -0.003 0.000 0.871 1243 V CB 1.641 33.411 31.823 -0.088 0.000 0.988 1243 V HN 0.648 nan 8.190 nan 0.000 0.432 1244 D N 2.824 123.235 120.400 0.018 0.000 2.341 1244 D HA 0.509 5.149 4.640 0.000 0.000 0.245 1244 D C 1.131 177.445 176.300 0.023 0.000 1.106 1244 D CA 1.329 55.338 54.000 0.015 0.000 0.905 1244 D CB 1.496 42.326 40.800 0.051 0.000 1.202 1244 D HN 0.910 nan 8.370 nan 0.000 0.426 1245 G N 1.100 109.902 108.800 0.002 0.000 2.199 1245 G HA2 -0.313 3.647 3.960 0.000 0.000 0.254 1245 G HA3 -0.313 3.647 3.960 0.000 0.000 0.254 1245 G C 1.241 176.150 174.900 0.015 0.000 0.982 1245 G CA 0.281 45.413 45.100 0.054 0.000 0.632 1245 G HN 0.532 nan 8.290 nan 0.000 0.529 1246 I N 0.693 121.111 120.570 -0.253 0.000 2.286 1246 I HA -0.114 4.056 4.170 0.000 0.000 0.248 1246 I C 2.674 178.695 176.117 -0.160 0.000 1.115 1246 I CA 2.018 63.030 61.300 -0.479 0.000 1.392 1246 I CB -0.301 37.200 38.000 -0.833 0.000 1.065 1246 I HN 0.249 nan 8.210 nan 0.000 0.418 1247 T N -0.395 114.079 114.554 -0.133 0.000 3.067 1247 T HA 0.003 4.353 4.350 0.000 0.000 0.257 1247 T C 1.305 175.993 174.700 -0.020 0.000 1.105 1247 T CA 0.895 62.951 62.100 -0.073 0.000 1.104 1247 T CB -0.022 68.789 68.868 -0.095 0.000 0.925 1247 T HN 0.378 nan 8.240 nan 0.000 0.498 1248 S N 0.866 116.566 115.700 0.000 0.000 2.519 1248 S HA 0.589 5.059 4.470 0.000 0.000 0.245 1248 S C -0.001 174.631 174.600 0.053 0.000 1.152 1248 S CA -0.043 58.170 58.200 0.023 0.000 1.175 1248 S CB -0.612 62.601 63.200 0.022 0.000 0.829 1248 S HN 0.578 nan 8.310 nan 0.000 0.472 1249 D N 0.000 120.441 120.400 0.068 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