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 2nlk_1_A DATA FIRST_RESID 827 DATA SEQUENCE AIPVKQFVKH IGELYSNNQH GFSEDFEEVQ RCTADMNITA EHSNHPENKH DATA SEQUENCE KNRYINILAY DHSRVKLRPL PXXXXXHSDY INANYVDGYN KAKAYIATQG DATA SEQUENCE PLKSTFEDFW RMIWEQNTGI IVMITNLVEK GRRKCDQYWP TENSEEYGNI DATA SEQUENCE IVTLKSTKIH ACYTVRRFSI RNTKVKKGQK GNPKGRQNER VVIQYHYTQW DATA SEQUENCE PDMGVPEYAL PVLTFVRRSS AARMPETGPV LVHCSAGVGR TGTYIVIDSM DATA SEQUENCE LQQIKDKSTV NVLGFLKHIR TQRNYLVQTE EQYIFIHDAL LEAILGKETE DATA SEQUENCE VSSNQLHSYV NSILIPXXXX XTRLEKQFKL VTQCXXXXXX XFSAQKECNK DATA SEQUENCE EKNRNSSVVP SERARVGLAP XXXXXXXDYI NASYIMGYYR SNEFIITQHP DATA SEQUENCE LPHTTKDFWR MIWDHNAQII VMLPXXXXXX XXXFVYWPSR EESMNCEAFT DATA SEQUENCE VTLISKDRLC LSNEEQIIIH DFILEATQDD YVLEVRHFQC PKWPNPDAPI DATA SEQUENCE SSTFELINVI KEEALTRDGP TIVHDEYGAV SAGMLCALTT LSQQLENENA DATA SEQUENCE VDVFQVAKMI NLMRPGVFTD IEQYQFIYKA MLSLVS 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 827 A HA 0.000 nan 4.320 nan 0.000 0.244 827 A C 0.000 177.583 177.584 -0.002 0.000 1.274 827 A CA 0.000 52.051 52.037 0.024 0.000 0.836 827 A CB 0.000 19.027 19.000 0.044 0.000 0.831 828 I N 2.079 122.648 120.570 -0.002 0.000 2.420 828 I HA 0.379 4.549 4.170 0.000 0.000 0.282 828 I C -2.901 173.228 176.117 0.020 0.000 1.019 828 I CA -2.461 58.827 61.300 -0.020 0.000 1.130 828 I CB 0.907 38.862 38.000 -0.075 0.000 1.262 828 I HN -0.072 nan 8.210 nan 0.000 0.454 829 P HA -0.044 nan 4.420 nan 0.000 0.265 829 P C 1.182 178.506 177.300 0.041 0.000 1.187 829 P CA 0.243 63.350 63.100 0.011 0.000 0.766 829 P CB 1.194 32.898 31.700 0.008 0.000 0.820 830 V N 2.625 122.541 119.914 0.004 0.000 2.913 830 V HA -0.237 3.883 4.120 0.000 0.000 0.260 830 V C 2.304 178.438 176.094 0.067 0.000 1.098 830 V CA 2.716 65.015 62.300 -0.002 0.000 1.121 830 V CB -1.367 30.401 31.823 -0.092 0.000 0.714 830 V HN 0.630 nan 8.190 nan 0.000 0.487 831 K N -1.439 118.993 120.400 0.054 0.000 2.217 831 K HA -0.073 4.247 4.320 0.000 0.000 0.202 831 K C 1.745 178.401 176.600 0.093 0.000 1.051 831 K CA 1.185 57.509 56.287 0.062 0.000 0.952 831 K CB -0.388 32.132 32.500 0.034 0.000 0.736 831 K HN 0.563 nan 8.250 nan 0.000 0.453 832 Q N -1.464 118.399 119.800 0.106 0.000 2.444 832 Q HA 0.200 4.540 4.340 0.000 0.000 0.206 832 Q C 1.298 177.396 176.000 0.165 0.000 0.948 832 Q CA 0.148 56.011 55.803 0.100 0.000 0.946 832 Q CB -0.263 28.503 28.738 0.046 0.000 1.027 832 Q HN 0.645 nan 8.270 nan 0.000 0.513 833 F N 0.041 120.030 119.950 0.065 0.000 2.179 833 F HA -0.135 4.392 4.527 0.000 0.000 0.292 833 F C 2.068 177.946 175.800 0.130 0.000 1.089 833 F CA 0.552 58.626 58.000 0.122 0.000 1.295 833 F CB 0.014 39.060 39.000 0.076 0.000 1.041 833 F HN -0.169 nan 8.300 nan 0.000 0.487 834 V N 0.090 120.149 119.914 0.242 0.000 2.278 834 V HA -0.408 3.712 4.120 0.000 0.000 0.251 834 V C 2.476 178.613 176.094 0.071 0.000 1.062 834 V CA 2.451 64.836 62.300 0.141 0.000 1.038 834 V CB -1.442 30.447 31.823 0.109 0.000 0.646 834 V HN 0.313 nan 8.190 nan 0.000 0.447 835 K N -0.873 119.566 120.400 0.066 0.000 2.103 835 K HA -0.201 4.119 4.320 0.000 0.000 0.204 835 K C 2.248 178.856 176.600 0.014 0.000 1.052 835 K CA 1.695 58.006 56.287 0.039 0.000 0.945 835 K CB -0.695 31.833 32.500 0.047 0.000 0.722 835 K HN 0.834 nan 8.250 nan 0.000 0.443 836 H N 0.099 119.085 119.070 -0.139 0.000 2.357 836 H HA 0.064 4.620 4.556 -0.000 0.000 0.301 836 H C 1.988 177.127 175.328 -0.315 0.000 1.082 836 H CA 2.574 58.474 56.048 -0.245 0.000 1.342 836 H CB -0.447 29.095 29.762 -0.366 0.000 1.389 836 H HN 0.332 nan 8.280 nan 0.000 0.511 837 I N -0.097 120.226 120.570 -0.412 0.000 2.617 837 I HA 0.131 4.301 4.170 0.000 0.000 0.256 837 I C 2.728 178.788 176.117 -0.095 0.000 1.167 837 I CA 1.484 62.569 61.300 -0.358 0.000 1.469 837 I CB -1.669 36.304 38.000 -0.044 0.000 1.098 837 I HN 0.530 nan 8.210 nan 0.000 0.436 838 G N 0.148 108.936 108.800 -0.019 0.000 2.440 838 G HA2 -0.247 3.713 3.960 0.000 0.000 0.218 838 G HA3 -0.247 3.713 3.960 0.000 0.000 0.218 838 G C 1.527 176.419 174.900 -0.014 0.000 1.154 838 G CA 0.969 46.095 45.100 0.043 0.000 0.767 838 G HN 0.708 nan 8.290 nan 0.000 0.552 839 E N -0.121 120.012 120.200 -0.112 0.000 2.274 839 E HA 0.086 4.437 4.350 0.000 0.000 0.194 839 E C 2.452 178.901 176.600 -0.252 0.000 0.996 839 E CA 0.098 56.419 56.400 -0.131 0.000 0.840 839 E CB -0.052 29.589 29.700 -0.099 0.000 0.772 839 E HN 0.399 nan 8.360 nan 0.000 0.491 840 L N -0.505 120.409 121.223 -0.514 0.000 2.179 840 L HA -0.092 4.248 4.340 0.000 0.000 0.208 840 L C 1.905 178.377 176.870 -0.664 0.000 1.096 840 L CA 0.911 55.206 54.840 -0.908 0.000 0.779 840 L CB -0.217 40.711 42.059 -1.884 0.000 0.922 840 L HN 0.158 nan 8.230 nan 0.000 0.443 841 Y N 0.325 120.455 120.300 -0.283 0.000 2.395 841 Y HA -0.073 4.477 4.550 -0.000 0.000 0.293 841 Y C 2.059 177.975 175.900 0.027 0.000 1.123 841 Y CA 0.259 58.391 58.100 0.053 0.000 1.227 841 Y CB 0.158 38.681 38.460 0.105 0.000 1.012 841 Y HN 0.166 nan 8.280 nan 0.000 0.552 842 S N 0.645 116.412 115.700 0.112 0.000 2.593 842 S HA 0.061 4.531 4.470 0.000 0.000 0.269 842 S C 0.317 174.958 174.600 0.069 0.000 1.334 842 S CA -0.350 57.895 58.200 0.076 0.000 1.015 842 S CB 0.678 63.895 63.200 0.029 0.000 0.912 842 S HN 0.513 nan 8.310 nan 0.000 0.541 843 N N 1.105 119.838 118.700 0.055 0.000 2.681 843 N HA -0.246 4.494 4.740 0.000 0.000 0.259 843 N C -0.175 175.387 175.510 0.085 0.000 1.066 843 N CA 1.127 54.202 53.050 0.042 0.000 0.717 843 N CB -2.180 36.309 38.487 0.003 0.000 0.885 843 N HN 1.004 nan 8.380 nan 0.000 0.547 844 N N 1.068 119.823 118.700 0.092 0.000 2.707 844 N HA -0.282 4.458 4.740 0.000 0.000 0.253 844 N C -0.817 174.785 175.510 0.154 0.000 0.998 844 N CA 1.907 55.026 53.050 0.114 0.000 0.751 844 N CB -0.966 37.575 38.487 0.090 0.000 0.920 844 N HN 0.736 nan 8.380 nan 0.000 0.539 845 Q N -2.589 117.319 119.800 0.180 0.000 2.453 845 Q HA -0.330 4.010 4.340 0.000 0.000 0.294 845 Q C 0.563 176.658 176.000 0.159 0.000 1.295 845 Q CA 1.167 57.093 55.803 0.205 0.000 0.853 845 Q CB -1.712 27.191 28.738 0.275 0.000 1.193 845 Q HN 0.848 nan 8.270 nan 0.000 0.461 846 H N -0.924 118.165 119.070 0.032 0.000 2.428 846 H HA 0.023 4.580 4.556 0.000 0.000 0.296 846 H C 1.971 177.296 175.328 -0.006 0.000 1.062 846 H CA 1.997 58.057 56.048 0.020 0.000 1.350 846 H CB -0.041 29.726 29.762 0.008 0.000 1.403 846 H HN 0.376 nan 8.280 nan 0.000 0.533 847 G N -0.375 108.398 108.800 -0.046 0.000 2.421 847 G HA2 -0.249 3.711 3.960 0.000 0.000 0.216 847 G HA3 -0.249 3.711 3.960 0.000 0.000 0.216 847 G C 1.263 176.056 174.900 -0.178 0.000 1.171 847 G CA 0.751 45.748 45.100 -0.172 0.000 0.775 847 G HN 0.362 nan 8.290 nan 0.000 0.543 848 F N 1.871 121.745 119.950 -0.125 0.000 2.095 848 F HA -0.088 4.439 4.527 0.000 0.000 0.298 848 F C 3.145 178.921 175.800 -0.041 0.000 1.104 848 F CA 1.475 59.431 58.000 -0.073 0.000 1.232 848 F CB -0.653 38.257 39.000 -0.150 0.000 0.987 848 F HN 0.089 nan 8.300 nan 0.000 0.475 849 S N -0.443 115.325 115.700 0.114 0.000 2.348 849 S HA -0.170 4.300 4.470 0.000 0.000 0.221 849 S C 1.999 176.572 174.600 -0.044 0.000 1.033 849 S CA 1.243 59.464 58.200 0.035 0.000 1.010 849 S CB -0.297 62.893 63.200 -0.016 0.000 0.891 849 S HN 0.349 nan 8.310 nan 0.000 0.442 850 E N 1.117 121.207 120.200 -0.184 0.000 2.049 850 E HA -0.191 4.159 4.350 0.000 0.000 0.198 850 E C 1.767 178.308 176.600 -0.097 0.000 1.007 850 E CA 1.329 57.617 56.400 -0.185 0.000 0.809 850 E CB -0.480 29.062 29.700 -0.263 0.000 0.749 850 E HN 0.394 nan 8.360 nan 0.000 0.450 851 D N -0.065 120.299 120.400 -0.060 0.000 2.084 851 D HA -0.139 4.501 4.640 0.000 0.000 0.194 851 D C 1.702 177.888 176.300 -0.191 0.000 0.990 851 D CA 0.721 54.694 54.000 -0.046 0.000 0.826 851 D CB -0.441 40.420 40.800 0.102 0.000 0.971 851 D HN 0.082 nan 8.370 nan 0.000 0.453 852 F N 1.321 121.026 119.950 -0.408 0.000 2.186 852 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 852 F C 2.196 177.866 175.800 -0.217 0.000 1.090 852 F CA 1.133 58.838 58.000 -0.491 0.000 1.307 852 F CB -0.067 38.664 39.000 -0.448 0.000 1.019 852 F HN -0.178 nan 8.300 nan 0.000 0.489 853 E N 0.827 120.914 120.200 -0.188 0.000 2.118 853 E HA -0.270 4.080 4.350 0.000 0.000 0.195 853 E C 2.136 178.610 176.600 -0.210 0.000 0.992 853 E CA 1.845 58.130 56.400 -0.191 0.000 0.804 853 E CB -0.491 29.161 29.700 -0.080 0.000 0.741 853 E HN 0.629 nan 8.360 nan 0.000 0.458 854 E N -0.611 119.484 120.200 -0.175 0.000 2.051 854 E HA -0.152 4.198 4.350 0.000 0.000 0.192 854 E C 2.033 178.534 176.600 -0.165 0.000 0.991 854 E CA 1.446 57.769 56.400 -0.129 0.000 0.799 854 E CB 0.047 29.704 29.700 -0.073 0.000 0.748 854 E HN 0.203 nan 8.360 nan 0.000 0.449 855 V N 1.590 121.352 119.914 -0.252 0.000 2.287 855 V HA -0.297 3.823 4.120 0.000 0.000 0.248 855 V C 2.538 178.446 176.094 -0.309 0.000 1.053 855 V CA 1.859 64.001 62.300 -0.264 0.000 1.027 855 V CB -0.600 31.026 31.823 -0.327 0.000 0.646 855 V HN 0.345 nan 8.190 nan 0.000 0.447 856 Q N -0.123 119.387 119.800 -0.482 0.000 2.096 856 Q HA -0.172 4.168 4.340 0.000 0.000 0.204 856 Q C 2.241 178.146 176.000 -0.159 0.000 0.982 856 Q CA 1.317 56.921 55.803 -0.332 0.000 0.850 856 Q CB -0.334 28.193 28.738 -0.353 0.000 0.901 856 Q HN 0.512 nan 8.270 nan 0.000 0.422 857 R N 0.158 120.574 120.500 -0.139 0.000 2.334 857 R HA 0.058 4.398 4.340 0.000 0.000 0.216 857 R C 2.100 178.360 176.300 -0.067 0.000 0.905 857 R CA 0.409 56.461 56.100 -0.081 0.000 1.064 857 R CB -0.501 29.760 30.300 -0.066 0.000 1.046 857 R HN 0.412 nan 8.270 nan 0.000 0.508 858 C N -0.573 118.683 119.300 -0.074 0.000 2.522 858 C HA 0.117 4.577 4.460 0.000 0.000 0.271 858 C C 1.921 176.882 174.990 -0.048 0.000 1.425 858 C CA 0.686 59.673 59.018 -0.052 0.000 1.751 858 C CB -1.022 26.692 27.740 -0.043 0.000 1.775 858 C HN 0.401 nan 8.230 nan 0.000 0.557 859 T N -3.360 111.160 114.554 -0.057 0.000 3.043 859 T HA 0.476 4.826 4.350 0.000 0.000 0.272 859 T C 1.694 176.348 174.700 -0.077 0.000 0.990 859 T CA 0.772 62.829 62.100 -0.071 0.000 0.897 859 T CB -0.104 68.720 68.868 -0.074 0.000 1.111 859 T HN 0.513 nan 8.240 nan 0.000 0.529 860 A N 2.712 125.498 122.820 -0.056 0.000 1.892 860 A HA -0.130 4.190 4.320 0.000 0.000 0.218 860 A C 1.981 179.534 177.584 -0.051 0.000 1.188 860 A CA 1.969 53.978 52.037 -0.045 0.000 0.631 860 A CB -0.893 18.088 19.000 -0.031 0.000 0.822 860 A HN 0.460 nan 8.150 nan 0.000 0.447 861 D N -0.774 119.596 120.400 -0.049 0.000 2.350 861 D HA -0.025 4.615 4.640 0.000 0.000 0.216 861 D C 1.704 177.967 176.300 -0.062 0.000 0.968 861 D CA 0.762 54.734 54.000 -0.047 0.000 0.894 861 D CB -0.239 40.538 40.800 -0.038 0.000 0.909 861 D HN 0.525 nan 8.370 nan 0.000 0.520 862 M N -0.245 119.304 119.600 -0.085 0.000 2.558 862 M HA -0.000 4.480 4.480 0.000 0.000 0.255 862 M C -0.131 176.090 176.300 -0.132 0.000 1.113 862 M CA 0.151 55.382 55.300 -0.114 0.000 1.097 862 M CB 0.138 32.650 32.600 -0.146 0.000 1.426 862 M HN -0.156 nan 8.290 nan 0.000 0.488 863 N N 1.917 120.548 118.700 -0.115 0.000 2.725 863 N HA -0.153 4.587 4.740 0.000 0.000 0.251 863 N C -0.811 174.614 175.510 -0.141 0.000 1.031 863 N CA 0.722 53.712 53.050 -0.101 0.000 0.720 863 N CB -1.684 36.761 38.487 -0.069 0.000 0.930 863 N HN 0.435 nan 8.380 nan 0.000 0.543 864 I N 0.651 121.080 120.570 -0.236 0.000 2.598 864 I HA -0.012 4.158 4.170 0.000 0.000 0.284 864 I C 1.523 177.522 176.117 -0.197 0.000 1.140 864 I CA 0.100 61.184 61.300 -0.360 0.000 1.420 864 I CB 0.399 37.904 38.000 -0.825 0.000 1.387 864 I HN 0.164 nan 8.210 nan 0.000 0.553 865 T N 2.718 117.236 114.554 -0.061 0.000 2.934 865 T HA 0.709 5.059 4.350 0.000 0.000 0.283 865 T C -0.051 174.765 174.700 0.194 0.000 1.005 865 T CA -0.776 61.359 62.100 0.058 0.000 1.041 865 T CB 1.958 70.855 68.868 0.048 0.000 1.042 865 T HN 0.724 nan 8.240 nan 0.000 0.505 866 A N 1.296 124.233 122.820 0.195 0.000 3.409 866 A HA 0.410 4.730 4.320 0.000 0.000 0.282 866 A C 0.802 178.466 177.584 0.133 0.000 1.064 866 A CA -0.649 51.527 52.037 0.231 0.000 0.889 866 A CB 0.030 19.188 19.000 0.263 0.000 1.251 866 A HN 0.896 nan 8.150 nan 0.000 0.538 867 E N -0.249 120.005 120.200 0.091 0.000 2.170 867 E HA -0.104 4.246 4.350 0.000 0.000 0.191 867 E C 0.968 177.519 176.600 -0.082 0.000 0.981 867 E CA 0.754 57.139 56.400 -0.025 0.000 0.830 867 E CB -0.018 29.630 29.700 -0.087 0.000 0.775 867 E HN 0.819 nan 8.360 nan 0.000 0.470 868 H N 0.556 119.653 119.070 0.045 0.000 2.357 868 H HA 0.032 4.588 4.556 0.000 0.000 0.301 868 H C 2.397 177.490 175.328 -0.391 0.000 1.082 868 H CA 1.035 57.048 56.048 -0.058 0.000 1.342 868 H CB 0.014 29.820 29.762 0.073 0.000 1.389 868 H HN 0.032 nan 8.280 nan 0.000 0.511 869 S N 1.005 116.618 115.700 -0.145 0.000 2.380 869 S HA -0.147 4.323 4.470 0.000 0.000 0.229 869 S C 1.785 176.280 174.600 -0.174 0.000 1.043 869 S CA 1.285 59.352 58.200 -0.221 0.000 1.038 869 S CB -0.115 63.149 63.200 0.108 0.000 0.872 869 S HN 0.465 nan 8.310 nan 0.000 0.456 870 N N 0.449 119.103 118.700 -0.078 0.000 2.398 870 N HA -0.004 4.736 4.740 0.000 0.000 0.188 870 N C 0.260 175.711 175.510 -0.099 0.000 1.122 870 N CA 0.178 53.190 53.050 -0.064 0.000 0.866 870 N CB -0.207 38.263 38.487 -0.028 0.000 0.970 870 N HN 0.479 nan 8.380 nan 0.000 0.462 871 H N 1.814 120.761 119.070 -0.205 0.000 2.886 871 H HA 0.045 4.601 4.556 0.000 0.000 0.329 871 H C -1.425 173.768 175.328 -0.226 0.000 1.044 871 H CA -1.030 54.880 56.048 -0.230 0.000 1.456 871 H CB 1.529 31.101 29.762 -0.316 0.000 1.464 871 H HN -0.057 nan 8.280 nan 0.000 0.573 872 P HA -0.169 nan 4.420 nan 0.000 0.217 872 P C 1.213 178.499 177.300 -0.024 0.000 1.148 872 P CA 1.224 64.216 63.100 -0.180 0.000 0.834 872 P CB 0.284 31.837 31.700 -0.245 0.000 0.783 873 E N -1.560 118.699 120.200 0.098 0.000 2.347 873 E HA -0.038 4.312 4.350 0.000 0.000 0.196 873 E C 1.330 177.967 176.600 0.062 0.000 1.008 873 E CA 0.659 57.096 56.400 0.062 0.000 0.852 873 E CB -1.017 28.628 29.700 -0.093 0.000 0.783 873 E HN 0.438 nan 8.360 nan 0.000 0.505 874 N N -0.021 118.639 118.700 -0.066 0.000 2.236 874 N HA 0.093 4.833 4.740 0.000 0.000 0.196 874 N C 1.359 176.771 175.510 -0.165 0.000 1.114 874 N CA 0.176 53.116 53.050 -0.184 0.000 0.859 874 N CB 0.326 38.504 38.487 -0.514 0.000 0.982 874 N HN 0.333 nan 8.380 nan 0.000 0.493 875 K N 1.399 121.770 120.400 -0.049 0.000 2.063 875 K HA -0.173 4.147 4.320 0.000 0.000 0.208 875 K C 1.762 178.365 176.600 0.004 0.000 1.048 875 K CA 1.309 57.585 56.287 -0.019 0.000 0.928 875 K CB -0.148 32.358 32.500 0.010 0.000 0.713 875 K HN 0.328 nan 8.250 nan 0.000 0.442 876 H N -0.158 118.901 119.070 -0.017 0.000 2.559 876 H HA 0.027 4.583 4.556 0.000 0.000 0.273 876 H C 0.456 175.776 175.328 -0.015 0.000 1.000 876 H CA 0.785 56.821 56.048 -0.021 0.000 1.195 876 H CB 0.122 29.870 29.762 -0.024 0.000 1.368 876 H HN 0.253 nan 8.280 nan 0.000 0.592 877 K N 0.566 120.713 120.400 -0.421 0.000 2.358 877 K HA 0.120 4.440 4.320 0.000 0.000 0.197 877 K C -0.268 176.298 176.600 -0.057 0.000 1.025 877 K CA -0.294 55.834 56.287 -0.265 0.000 1.104 877 K CB 0.556 32.946 32.500 -0.184 0.000 0.855 877 K HN 0.104 nan 8.250 nan 0.000 0.531 878 N N 1.280 119.956 118.700 -0.040 0.000 2.400 878 N HA 0.134 4.874 4.740 0.000 0.000 0.288 878 N C 0.296 175.749 175.510 -0.094 0.000 1.024 878 N CA -0.242 52.801 53.050 -0.013 0.000 0.894 878 N CB 1.775 40.283 38.487 0.034 0.000 1.173 878 N HN 0.004 nan 8.380 nan 0.000 0.487 879 R N 1.901 122.295 120.500 -0.177 0.000 2.066 879 R HA -0.010 4.330 4.340 0.000 0.000 0.232 879 R C -0.363 175.658 176.300 -0.465 0.000 1.131 879 R CA 1.476 57.334 56.100 -0.404 0.000 0.955 879 R CB 0.142 30.084 30.300 -0.596 0.000 0.851 879 R HN 0.517 nan 8.270 nan 0.000 0.432 880 Y N -0.893 119.408 120.300 0.002 0.000 2.409 880 Y HA 0.233 4.783 4.550 0.000 0.000 0.343 880 Y C 0.729 176.637 175.900 0.014 0.000 0.973 880 Y CA -1.009 57.093 58.100 0.003 0.000 1.064 880 Y CB 1.288 39.746 38.460 -0.003 0.000 1.207 880 Y HN -0.106 nan 8.280 nan 0.000 0.452 881 I N 2.061 122.731 120.570 0.165 0.000 2.335 881 I HA -0.337 3.833 4.170 0.000 0.000 0.251 881 I C 1.505 177.683 176.117 0.101 0.000 1.129 881 I CA 1.843 63.201 61.300 0.096 0.000 1.402 881 I CB 0.108 38.149 38.000 0.068 0.000 1.069 881 I HN 0.787 nan 8.210 nan 0.000 0.424 882 N N 0.611 119.382 118.700 0.119 0.000 2.422 882 N HA -0.004 4.736 4.740 0.000 0.000 0.181 882 N C 0.345 175.976 175.510 0.202 0.000 1.080 882 N CA 0.314 53.438 53.050 0.123 0.000 0.893 882 N CB 0.283 38.796 38.487 0.044 0.000 0.973 882 N HN 0.216 nan 8.380 nan 0.000 0.456 883 I N 2.364 123.050 120.570 0.192 0.000 2.354 883 I HA 0.383 4.553 4.170 0.000 0.000 0.286 883 I C -0.144 176.048 176.117 0.126 0.000 1.007 883 I CA -0.534 60.892 61.300 0.209 0.000 1.167 883 I CB 1.066 39.202 38.000 0.226 0.000 1.320 883 I HN -0.077 nan 8.210 nan 0.000 0.458 884 L N 4.517 125.774 121.223 0.056 0.000 2.301 884 L HA 0.831 5.171 4.340 0.000 0.000 0.264 884 L C 0.231 177.058 176.870 -0.071 0.000 1.016 884 L CA -0.994 53.866 54.840 0.033 0.000 0.821 884 L CB 2.003 44.092 42.059 0.050 0.000 1.346 884 L HN 0.569 nan 8.230 nan 0.000 0.429 885 A N 0.518 123.355 122.820 0.029 0.000 2.256 885 A HA 0.585 4.905 4.320 0.000 0.000 0.317 885 A C -1.054 176.588 177.584 0.097 0.000 1.318 885 A CA -0.413 51.610 52.037 -0.023 0.000 0.894 885 A CB -0.043 18.957 19.000 -0.000 0.000 1.165 885 A HN 0.427 nan 8.150 nan 0.000 0.525 886 Y N 1.785 122.100 120.300 0.025 0.000 2.811 886 Y HA -0.071 4.479 4.550 -0.000 0.000 0.334 886 Y C 1.373 177.296 175.900 0.039 0.000 1.247 886 Y CA 0.033 58.160 58.100 0.045 0.000 1.526 886 Y CB 0.212 38.681 38.460 0.015 0.000 1.284 886 Y HN 0.751 nan 8.280 nan 0.000 0.586 887 D N 0.915 121.508 120.400 0.321 0.000 2.123 887 D HA -0.210 4.430 4.640 0.000 0.000 0.196 887 D C 2.025 178.434 176.300 0.182 0.000 0.992 887 D CA 1.902 56.063 54.000 0.269 0.000 0.833 887 D CB -0.246 40.739 40.800 0.309 0.000 0.954 887 D HN 0.802 nan 8.370 nan 0.000 0.455 888 H N 0.236 119.385 119.070 0.132 0.000 2.457 888 H HA 0.052 4.608 4.556 0.000 0.000 0.294 888 H C 1.351 176.751 175.328 0.119 0.000 1.064 888 H CA 1.590 57.695 56.048 0.096 0.000 1.330 888 H CB -0.049 29.742 29.762 0.048 0.000 1.395 888 H HN 0.156 nan 8.280 nan 0.000 0.541 889 S N 0.459 115.926 115.700 -0.389 0.000 2.666 889 S HA 0.128 4.598 4.470 0.000 0.000 0.239 889 S C 0.856 175.429 174.600 -0.045 0.000 1.031 889 S CA -0.857 57.234 58.200 -0.182 0.000 1.015 889 S CB 0.280 63.265 63.200 -0.358 0.000 0.981 889 S HN 0.514 nan 8.310 nan 0.000 0.547 890 R N 1.429 121.883 120.500 -0.077 0.000 2.623 890 R HA 0.387 4.727 4.340 0.000 0.000 0.271 890 R C -0.596 175.590 176.300 -0.191 0.000 1.043 890 R CA -0.481 55.539 56.100 -0.133 0.000 1.083 890 R CB 0.052 30.318 30.300 -0.057 0.000 0.974 890 R HN 0.046 nan 8.270 nan 0.000 0.436 891 V N 3.512 123.178 119.914 -0.412 0.000 2.572 891 V HA 0.082 4.202 4.120 0.000 0.000 0.291 891 V C 0.500 176.451 176.094 -0.239 0.000 1.039 891 V CA -0.014 61.999 62.300 -0.479 0.000 1.055 891 V CB 0.625 32.064 31.823 -0.640 0.000 0.969 891 V HN 0.707 nan 8.190 nan 0.000 0.482 892 K N 5.256 125.593 120.400 -0.105 0.000 2.206 892 K HA 0.585 4.905 4.320 0.000 0.000 0.264 892 K C -0.875 175.692 176.600 -0.055 0.000 0.967 892 K CA -0.630 55.609 56.287 -0.078 0.000 0.844 892 K CB 1.811 34.289 32.500 -0.036 0.000 1.099 892 K HN 0.482 nan 8.250 nan 0.000 0.441 893 L N 3.369 124.557 121.223 -0.059 0.000 2.380 893 L HA 0.268 4.608 4.340 0.000 0.000 0.273 893 L C 0.706 177.577 176.870 0.003 0.000 1.138 893 L CA -0.531 54.296 54.840 -0.022 0.000 0.832 893 L CB 0.380 42.429 42.059 -0.017 0.000 1.124 893 L HN 0.404 nan 8.230 nan 0.000 0.454 894 R N 3.254 123.767 120.500 0.022 0.000 2.583 894 R HA 0.050 4.390 4.340 0.000 0.000 0.274 894 R C -2.095 174.218 176.300 0.021 0.000 0.998 894 R CA -1.290 54.826 56.100 0.026 0.000 1.081 894 R CB -0.317 30.008 30.300 0.041 0.000 0.940 894 R HN 0.364 nan 8.270 nan 0.000 0.413 895 P HA -0.015 nan 4.420 nan 0.000 0.267 895 P C -0.560 176.750 177.300 0.017 0.000 1.200 895 P CA 0.412 63.518 63.100 0.010 0.000 0.772 895 P CB 0.600 32.300 31.700 -0.000 0.000 0.855 896 L N 3.554 124.790 121.223 0.020 0.000 2.334 896 L HA 0.496 4.836 4.340 0.000 0.000 0.273 896 L C -1.123 175.757 176.870 0.018 0.000 1.013 896 L CA -1.969 52.885 54.840 0.023 0.000 0.816 896 L CB 0.996 43.074 42.059 0.032 0.000 1.278 896 L HN 0.383 nan 8.230 nan 0.000 0.431 904 S N 0.946 116.709 115.700 0.105 0.000 2.447 904 S HA -0.136 4.334 4.470 0.000 0.000 0.233 904 S C 1.586 176.231 174.600 0.075 0.000 1.006 904 S CA 1.348 59.604 58.200 0.093 0.000 0.957 904 S CB -0.112 63.124 63.200 0.060 0.000 0.773 904 S HN 0.411 nan 8.310 nan 0.000 0.507 905 D N -0.009 120.426 120.400 0.057 0.000 2.371 905 D HA -0.123 4.517 4.640 0.000 0.000 0.221 905 D C 0.350 176.670 176.300 0.033 0.000 0.986 905 D CA 0.040 54.055 54.000 0.024 0.000 0.899 905 D CB -0.620 40.171 40.800 -0.016 0.000 0.902 905 D HN 0.588 nan 8.370 nan 0.000 0.530 906 Y N 0.640 120.927 120.300 -0.022 0.000 2.327 906 Y HA 0.477 5.027 4.550 0.000 0.000 0.336 906 Y C -0.634 175.238 175.900 -0.048 0.000 1.035 906 Y CA -0.872 57.209 58.100 -0.033 0.000 1.165 906 Y CB 0.591 39.064 38.460 0.021 0.000 1.181 906 Y HN -0.085 nan 8.280 nan 0.000 0.494 907 I N 6.079 126.038 120.570 -1.018 0.000 2.722 907 I HA 0.274 4.444 4.170 0.000 0.000 0.295 907 I C -1.186 174.292 176.117 -1.065 0.000 1.161 907 I CA -0.823 59.963 61.300 -0.856 0.000 1.032 907 I CB 1.586 39.355 38.000 -0.385 0.000 1.244 907 I HN 0.645 nan 8.210 nan 0.000 0.421 908 N N 6.385 124.677 118.700 -0.680 0.000 2.739 908 N HA 0.481 5.221 4.740 0.000 0.000 0.266 908 N C -1.278 174.082 175.510 -0.250 0.000 1.168 908 N CA 0.215 53.066 53.050 -0.331 0.000 1.055 908 N CB 0.223 38.660 38.487 -0.083 0.000 1.393 908 N HN 0.654 nan 8.380 nan 0.000 0.514 909 A N 2.791 125.438 122.820 -0.289 0.000 2.517 909 A HA 0.587 4.907 4.320 0.000 0.000 0.297 909 A C -1.180 176.236 177.584 -0.280 0.000 1.050 909 A CA -0.887 50.994 52.037 -0.260 0.000 0.694 909 A CB 1.034 19.853 19.000 -0.301 0.000 1.277 909 A HN 0.571 nan 8.150 nan 0.000 0.400 910 N N 0.028 118.586 118.700 -0.237 0.000 2.240 910 N HA 0.616 5.356 4.740 0.000 0.000 0.302 910 N C -1.394 173.996 175.510 -0.200 0.000 1.106 910 N CA -0.446 52.468 53.050 -0.227 0.000 0.778 910 N CB 1.022 39.426 38.487 -0.139 0.000 1.431 910 N HN 0.573 nan 8.380 nan 0.000 0.479 911 Y N 0.140 120.411 120.300 -0.048 0.000 2.480 911 Y HA 0.398 4.947 4.550 -0.000 0.000 0.338 911 Y C 0.325 176.236 175.900 0.018 0.000 1.220 911 Y CA -0.182 57.914 58.100 -0.006 0.000 1.430 911 Y CB 0.487 38.938 38.460 -0.014 0.000 1.311 911 Y HN 0.063 nan 8.280 nan 0.000 0.575 912 V N 2.983 123.054 119.914 0.261 0.000 2.777 912 V HA 0.175 4.295 4.120 0.000 0.000 0.306 912 V C -0.746 175.542 176.094 0.323 0.000 1.112 912 V CA -1.358 61.072 62.300 0.217 0.000 0.917 912 V CB 2.021 33.952 31.823 0.179 0.000 1.018 912 V HN 0.644 nan 8.190 nan 0.000 0.426 913 D N 2.153 122.716 120.400 0.272 0.000 2.360 913 D HA 0.514 5.154 4.640 0.000 0.000 0.242 913 D C 0.489 177.124 176.300 0.558 0.000 1.184 913 D CA 0.608 54.810 54.000 0.336 0.000 0.930 913 D CB 1.649 42.671 40.800 0.370 0.000 1.161 913 D HN 0.769 nan 8.370 nan 0.000 0.447 914 G N -0.857 108.193 108.800 0.417 0.000 2.971 914 G HA2 0.297 4.257 3.960 0.000 0.000 0.235 914 G HA3 0.297 4.257 3.960 0.000 0.000 0.235 914 G C -1.275 173.853 174.900 0.380 0.000 1.351 914 G CA -0.533 44.862 45.100 0.491 0.000 1.039 914 G HN 0.395 nan 8.290 nan 0.000 0.563 915 Y N 0.642 120.979 120.300 0.063 0.000 2.436 915 Y HA 0.335 4.886 4.550 0.000 0.000 0.336 915 Y C 1.196 177.088 175.900 -0.013 0.000 1.049 915 Y CA 0.835 58.910 58.100 -0.042 0.000 1.294 915 Y CB -0.395 37.975 38.460 -0.150 0.000 1.179 915 Y HN 1.230 nan 8.280 nan 0.000 0.520 916 N N 3.027 121.345 118.700 -0.637 0.000 2.708 916 N HA -0.275 4.466 4.740 0.000 0.000 0.251 916 N C -0.146 175.217 175.510 -0.245 0.000 1.123 916 N CA 1.350 54.071 53.050 -0.548 0.000 0.739 916 N CB -1.772 36.210 38.487 -0.842 0.000 1.113 916 N HN 0.744 nan 8.380 nan 0.000 0.561 917 K N -0.845 119.482 120.400 -0.121 0.000 2.588 917 K HA 0.692 5.012 4.320 0.000 0.000 0.250 917 K C -0.504 176.092 176.600 -0.006 0.000 0.972 917 K CA 0.203 56.446 56.287 -0.073 0.000 0.821 917 K CB 1.448 33.893 32.500 -0.092 0.000 1.249 917 K HN 0.924 nan 8.250 nan 0.000 0.442 918 A N 3.406 126.220 122.820 -0.010 0.000 2.440 918 A HA 0.246 4.566 4.320 0.000 0.000 0.251 918 A C -0.228 177.347 177.584 -0.015 0.000 1.089 918 A CA 0.234 52.281 52.037 0.016 0.000 0.779 918 A CB -0.042 18.953 19.000 -0.008 0.000 1.022 918 A HN 0.926 nan 8.150 nan 0.000 0.492 919 K N 0.308 120.724 120.400 0.026 0.000 3.096 919 K HA -0.251 4.069 4.320 0.000 0.000 0.266 919 K C 1.005 177.614 176.600 0.016 0.000 1.043 919 K CA 0.489 56.794 56.287 0.030 0.000 0.758 919 K CB -1.950 30.451 32.500 -0.166 0.000 1.260 919 K HN 0.974 nan 8.250 nan 0.000 0.481 920 A N -0.330 122.464 122.820 -0.043 0.000 1.968 920 A HA -0.032 4.288 4.320 0.000 0.000 0.217 920 A C 0.410 177.754 177.584 -0.399 0.000 1.169 920 A CA 1.085 52.941 52.037 -0.301 0.000 0.638 920 A CB -0.043 18.646 19.000 -0.518 0.000 0.812 920 A HN 0.384 nan 8.150 nan 0.000 0.446 921 Y N -1.495 118.883 120.300 0.130 0.000 2.485 921 Y HA 0.632 5.182 4.550 0.000 0.000 0.345 921 Y C -0.174 175.781 175.900 0.093 0.000 0.998 921 Y CA -1.135 57.031 58.100 0.109 0.000 1.059 921 Y CB 1.248 39.784 38.460 0.127 0.000 1.234 921 Y HN -0.044 nan 8.280 nan 0.000 0.461 922 I N 2.780 123.454 120.570 0.173 0.000 2.312 922 I HA 0.522 4.692 4.170 0.000 0.000 0.290 922 I C -0.221 175.908 176.117 0.021 0.000 1.008 922 I CA -0.627 60.676 61.300 0.005 0.000 1.226 922 I CB 0.883 38.799 38.000 -0.141 0.000 1.371 922 I HN 0.709 nan 8.210 nan 0.000 0.468 923 A N 4.892 127.710 122.820 -0.003 0.000 2.274 923 A HA 0.746 5.066 4.320 0.000 0.000 0.309 923 A C -0.156 177.393 177.584 -0.058 0.000 1.226 923 A CA -0.287 51.740 52.037 -0.017 0.000 0.853 923 A CB 1.184 20.175 19.000 -0.015 0.000 1.146 923 A HN 0.631 nan 8.150 nan 0.000 0.518 924 T N 1.061 115.598 114.554 -0.029 0.000 2.868 924 T HA 0.462 4.812 4.350 0.000 0.000 0.306 924 T C -0.511 174.182 174.700 -0.012 0.000 1.224 924 T CA -0.568 61.499 62.100 -0.055 0.000 1.012 924 T CB 1.145 69.963 68.868 -0.084 0.000 1.221 924 T HN 0.930 nan 8.240 nan 0.000 0.499 925 Q N 1.546 121.315 119.800 -0.052 0.000 2.454 925 Q HA 0.457 4.797 4.340 0.000 0.000 0.247 925 Q C 0.635 176.550 176.000 -0.141 0.000 1.028 925 Q CA -0.470 55.301 55.803 -0.053 0.000 0.910 925 Q CB 0.009 28.698 28.738 -0.083 0.000 1.276 925 Q HN 0.796 nan 8.270 nan 0.000 0.489 926 G N 2.700 111.442 108.800 -0.098 0.000 2.254 926 G HA2 0.201 4.161 3.960 0.000 0.000 0.253 926 G HA3 0.201 4.161 3.960 0.000 0.000 0.253 926 G C -2.182 172.534 174.900 -0.306 0.000 1.246 926 G CA -0.843 44.124 45.100 -0.220 0.000 0.946 926 G HN 0.568 nan 8.290 nan 0.000 0.474 927 P HA 0.104 nan 4.420 nan 0.000 0.269 927 P C 0.007 177.212 177.300 -0.158 0.000 1.217 927 P CA -0.048 62.825 63.100 -0.379 0.000 0.783 927 P CB 1.087 32.353 31.700 -0.723 0.000 0.898 928 L N 1.688 122.781 121.223 -0.216 0.000 2.332 928 L HA 0.335 4.675 4.340 0.000 0.000 0.269 928 L C 1.995 178.395 176.870 -0.782 0.000 1.016 928 L CA -0.805 53.842 54.840 -0.322 0.000 0.809 928 L CB 0.648 42.564 42.059 -0.238 0.000 1.280 928 L HN 0.292 nan 8.230 nan 0.000 0.447 929 K N 0.237 120.072 120.400 -0.942 0.000 2.074 929 K HA -0.182 4.138 4.320 0.000 0.000 0.209 929 K C 1.947 178.139 176.600 -0.681 0.000 1.048 929 K CA 1.868 57.367 56.287 -1.314 0.000 0.926 929 K CB -0.187 31.960 32.500 -0.589 0.000 0.713 929 K HN 0.768 nan 8.250 nan 0.000 0.444 930 S N 0.112 115.615 115.700 -0.328 0.000 2.474 930 S HA -0.096 4.374 4.470 0.000 0.000 0.235 930 S C 1.790 176.364 174.600 -0.045 0.000 0.997 930 S CA 1.399 59.548 58.200 -0.085 0.000 0.949 930 S CB -0.328 62.929 63.200 0.095 0.000 0.766 930 S HN 0.413 nan 8.310 nan 0.000 0.517 931 T N -2.642 111.835 114.554 -0.129 0.000 3.085 931 T HA 0.367 4.717 4.350 0.000 0.000 0.264 931 T C 0.974 175.750 174.700 0.126 0.000 1.019 931 T CA -0.473 61.616 62.100 -0.018 0.000 0.910 931 T CB -0.524 68.302 68.868 -0.069 0.000 1.059 931 T HN 0.109 nan 8.240 nan 0.000 0.542 932 F N 2.825 122.810 119.950 0.058 0.000 2.091 932 F HA -0.002 4.525 4.527 0.000 0.000 0.299 932 F C 2.339 178.304 175.800 0.275 0.000 1.103 932 F CA 0.906 58.980 58.000 0.123 0.000 1.228 932 F CB -0.920 38.259 39.000 0.299 0.000 0.984 932 F HN 0.363 nan 8.300 nan 0.000 0.477 933 E N -0.005 120.491 120.200 0.493 0.000 2.038 933 E HA -0.219 4.131 4.350 0.000 0.000 0.195 933 E C 1.942 178.711 176.600 0.282 0.000 1.000 933 E CA 1.493 58.131 56.400 0.396 0.000 0.803 933 E CB -0.254 29.613 29.700 0.278 0.000 0.750 933 E HN 0.323 nan 8.360 nan 0.000 0.448 934 D N 0.357 120.872 120.400 0.192 0.000 2.116 934 D HA -0.197 4.443 4.640 0.000 0.000 0.193 934 D C 1.722 178.059 176.300 0.062 0.000 0.998 934 D CA 0.890 54.950 54.000 0.100 0.000 0.836 934 D CB -0.562 40.265 40.800 0.045 0.000 0.951 934 D HN 0.098 nan 8.370 nan 0.000 0.449 935 F N 0.038 119.920 119.950 -0.114 0.000 2.043 935 F HA -0.245 4.282 4.527 -0.000 0.000 0.297 935 F C 2.224 177.851 175.800 -0.288 0.000 1.121 935 F CA 1.823 59.640 58.000 -0.304 0.000 1.199 935 F CB -0.577 38.138 39.000 -0.475 0.000 0.968 935 F HN -0.003 nan 8.300 nan 0.000 0.478 936 W N 0.347 121.666 121.300 0.032 0.000 2.402 936 W HA -0.051 4.609 4.660 0.000 0.000 0.286 936 W C 2.786 179.309 176.519 0.007 0.000 1.221 936 W CA 1.196 58.516 57.345 -0.042 0.000 1.257 936 W CB -0.428 29.053 29.460 0.035 0.000 1.120 936 W HN -0.067 nan 8.180 nan 0.000 0.551 937 R N 0.651 121.297 120.500 0.244 0.000 2.083 937 R HA -0.231 4.109 4.340 0.000 0.000 0.237 937 R C 2.265 178.638 176.300 0.120 0.000 1.137 937 R CA 2.128 58.339 56.100 0.185 0.000 0.951 937 R CB -0.682 29.698 30.300 0.132 0.000 0.851 937 R HN 0.178 nan 8.270 nan 0.000 0.434 938 M N 0.189 119.777 119.600 -0.019 0.000 2.149 938 M HA -0.181 4.299 4.480 0.000 0.000 0.261 938 M C 1.860 178.079 176.300 -0.134 0.000 1.064 938 M CA 1.744 56.981 55.300 -0.106 0.000 1.102 938 M CB -0.075 32.391 32.600 -0.224 0.000 1.369 938 M HN 0.272 nan 8.290 nan 0.000 0.408 939 I N -0.674 119.769 120.570 -0.213 0.000 2.179 939 I HA -0.329 3.841 4.170 0.000 0.000 0.242 939 I C 2.378 178.509 176.117 0.023 0.000 1.088 939 I CA 1.393 62.592 61.300 -0.168 0.000 1.357 939 I CB -0.715 37.124 38.000 -0.268 0.000 1.051 939 I HN 0.643 nan 8.210 nan 0.000 0.409 940 W N 2.325 123.635 121.300 0.016 0.000 2.333 940 W HA -0.226 4.434 4.660 0.000 0.000 0.316 940 W C 2.217 178.745 176.519 0.016 0.000 1.215 940 W CA 1.787 59.157 57.345 0.042 0.000 1.278 940 W CB -0.224 29.276 29.460 0.066 0.000 1.154 940 W HN 0.200 nan 8.180 nan 0.000 0.486 941 E N -0.605 119.702 120.200 0.179 0.000 2.268 941 E HA -0.212 4.138 4.350 0.000 0.000 0.195 941 E C 1.926 178.526 176.600 -0.001 0.000 0.995 941 E CA 0.849 57.313 56.400 0.107 0.000 0.836 941 E CB -0.055 29.716 29.700 0.119 0.000 0.763 941 E HN 0.277 nan 8.360 nan 0.000 0.491 942 Q N 0.004 119.781 119.800 -0.037 0.000 2.282 942 Q HA 0.036 4.376 4.340 0.000 0.000 0.206 942 Q C 0.031 175.984 176.000 -0.079 0.000 0.878 942 Q CA -0.000 55.785 55.803 -0.029 0.000 0.944 942 Q CB 0.472 29.205 28.738 -0.010 0.000 1.100 942 Q HN 0.162 nan 8.270 nan 0.000 0.509 943 N N 0.776 119.379 118.700 -0.162 0.000 2.758 943 N HA -0.126 4.614 4.740 0.000 0.000 0.248 943 N C -1.250 174.182 175.510 -0.131 0.000 1.076 943 N CA 0.778 53.706 53.050 -0.204 0.000 0.696 943 N CB -1.115 37.269 38.487 -0.171 0.000 0.979 943 N HN 0.015 nan 8.380 nan 0.000 0.550 944 T N -0.846 113.643 114.554 -0.109 0.000 2.832 944 T HA 0.510 4.860 4.350 0.000 0.000 0.296 944 T C 1.426 176.108 174.700 -0.031 0.000 0.968 944 T CA 0.219 62.278 62.100 -0.068 0.000 1.107 944 T CB 1.369 70.179 68.868 -0.096 0.000 0.916 944 T HN 0.431 nan 8.240 nan 0.000 0.517 945 G N 2.454 111.257 108.800 0.004 0.000 2.848 945 G HA2 0.263 4.223 3.960 0.000 0.000 0.213 945 G HA3 0.263 4.223 3.960 0.000 0.000 0.213 945 G C 0.199 175.163 174.900 0.106 0.000 1.101 945 G CA -0.142 44.990 45.100 0.053 0.000 0.778 945 G HN 0.554 nan 8.290 nan 0.000 0.536 946 I N 1.772 122.398 120.570 0.094 0.000 2.433 946 I HA 0.494 4.664 4.170 0.000 0.000 0.292 946 I C -0.744 175.442 176.117 0.114 0.000 1.001 946 I CA -1.446 59.940 61.300 0.144 0.000 1.119 946 I CB 1.622 39.707 38.000 0.141 0.000 1.289 946 I HN -0.106 nan 8.210 nan 0.000 0.438 947 I N 5.874 126.541 120.570 0.162 0.000 2.362 947 I HA 0.359 4.529 4.170 0.000 0.000 0.289 947 I C -0.343 175.869 176.117 0.158 0.000 0.994 947 I CA -0.910 60.476 61.300 0.144 0.000 1.158 947 I CB 2.079 40.201 38.000 0.204 0.000 1.315 947 I HN 0.130 nan 8.210 nan 0.000 0.451 948 V N 7.210 127.144 119.914 0.034 0.000 2.333 948 V HA 0.314 4.434 4.120 0.000 0.000 0.274 948 V C 0.065 176.060 176.094 -0.165 0.000 1.028 948 V CA -0.423 61.848 62.300 -0.049 0.000 0.851 948 V CB 1.314 32.869 31.823 -0.446 0.000 1.000 948 V HN 0.716 nan 8.190 nan 0.000 0.456 949 M N 7.029 126.568 119.600 -0.100 0.000 2.066 949 M HA 0.538 5.019 4.480 0.000 0.000 0.340 949 M C -0.589 175.632 176.300 -0.131 0.000 1.053 949 M CA -0.258 54.786 55.300 -0.427 0.000 0.983 949 M CB 0.620 33.028 32.600 -0.320 0.000 1.520 949 M HN 0.576 nan 8.290 nan 0.000 0.428 950 I N 4.174 124.603 120.570 -0.235 0.000 3.207 950 I HA 0.288 4.458 4.170 0.000 0.000 0.343 950 I C -0.117 175.918 176.117 -0.136 0.000 1.378 950 I CA -0.201 61.014 61.300 -0.143 0.000 1.004 950 I CB 0.012 37.810 38.000 -0.337 0.000 1.836 950 I HN 0.654 nan 8.210 nan 0.000 0.513 951 T N 0.328 114.907 114.554 0.042 0.000 2.885 951 T HA 0.321 4.671 4.350 0.000 0.000 0.322 951 T C -0.868 174.002 174.700 0.283 0.000 1.387 951 T CA -0.550 61.611 62.100 0.101 0.000 1.041 951 T CB 1.926 70.830 68.868 0.059 0.000 1.287 951 T HN 0.164 nan 8.240 nan 0.000 0.491 952 N N 1.915 120.778 118.700 0.272 0.000 2.434 952 N HA 0.409 5.149 4.740 0.000 0.000 0.266 952 N C 1.411 177.051 175.510 0.216 0.000 1.223 952 N CA -0.423 52.808 53.050 0.301 0.000 0.972 952 N CB 1.118 39.732 38.487 0.211 0.000 1.207 952 N HN 0.533 nan 8.380 nan 0.000 0.525 953 L N 0.299 121.648 121.223 0.209 0.000 2.072 953 L HA 0.023 4.363 4.340 0.000 0.000 0.205 953 L C 0.402 177.335 176.870 0.104 0.000 1.079 953 L CA 0.925 55.853 54.840 0.148 0.000 0.752 953 L CB 0.058 42.183 42.059 0.110 0.000 0.906 953 L HN 0.174 nan 8.230 nan 0.000 0.436 954 V N -0.176 119.796 119.914 0.097 0.000 2.588 954 V HA 0.338 4.458 4.120 0.000 0.000 0.304 954 V C -0.850 175.291 176.094 0.078 0.000 1.042 954 V CA -0.689 61.654 62.300 0.072 0.000 0.877 954 V CB 1.930 33.782 31.823 0.048 0.000 0.996 954 V HN 0.137 nan 8.190 nan 0.000 0.425 955 E N 3.474 123.717 120.200 0.072 0.000 2.281 955 E HA 0.371 4.721 4.350 0.000 0.000 0.266 955 E C -0.604 176.028 176.600 0.053 0.000 0.893 955 E CA -0.800 55.643 56.400 0.071 0.000 0.798 955 E CB 1.797 31.552 29.700 0.091 0.000 1.245 955 E HN 0.624 nan 8.360 nan 0.000 0.410 956 K N 1.949 122.372 120.400 0.038 0.000 3.150 956 K HA -0.275 4.045 4.320 0.000 0.000 0.267 956 K C 0.503 177.117 176.600 0.024 0.000 1.028 956 K CA 0.808 57.111 56.287 0.026 0.000 0.753 956 K CB -1.549 30.968 32.500 0.028 0.000 1.288 956 K HN 1.107 nan 8.250 nan 0.000 0.473 957 G N -0.172 108.641 108.800 0.022 0.000 2.168 957 G HA2 -0.345 3.615 3.960 0.000 0.000 0.263 957 G HA3 -0.345 3.615 3.960 0.000 0.000 0.263 957 G C -0.051 174.865 174.900 0.027 0.000 0.977 957 G CA 0.884 45.996 45.100 0.020 0.000 0.659 957 G HN 0.510 nan 8.290 nan 0.000 0.533 958 R N -0.507 120.016 120.500 0.038 0.000 2.494 958 R HA 0.551 4.891 4.340 0.000 0.000 0.305 958 R C 0.184 176.517 176.300 0.056 0.000 0.959 958 R CA -1.110 55.018 56.100 0.047 0.000 0.864 958 R CB 1.114 31.448 30.300 0.056 0.000 1.159 958 R HN 0.127 nan 8.270 nan 0.000 0.446 959 R N 2.435 122.965 120.500 0.050 0.000 2.351 959 R HA 0.035 4.375 4.340 0.000 0.000 0.318 959 R C 0.070 176.409 176.300 0.066 0.000 1.055 959 R CA 0.528 56.656 56.100 0.047 0.000 0.968 959 R CB 0.452 30.767 30.300 0.024 0.000 0.974 959 R HN 0.465 nan 8.270 nan 0.000 0.439 960 K N 2.715 123.162 120.400 0.078 0.000 2.399 960 K HA 0.169 4.489 4.320 0.000 0.000 0.196 960 K C -0.151 176.494 176.600 0.074 0.000 1.117 960 K CA 0.317 56.663 56.287 0.099 0.000 0.965 960 K CB 0.213 32.782 32.500 0.115 0.000 0.983 960 K HN 0.524 nan 8.250 nan 0.000 0.531 961 C N 1.966 121.313 119.300 0.078 0.000 3.006 961 C HA 0.390 4.850 4.460 0.000 0.000 0.359 961 C C -1.527 173.519 174.990 0.093 0.000 1.103 961 C CA -0.904 58.167 59.018 0.088 0.000 1.286 961 C CB 1.039 28.884 27.740 0.175 0.000 1.694 961 C HN 0.288 nan 8.230 nan 0.000 0.511 962 D N 2.112 122.579 120.400 0.113 0.000 2.354 962 D HA 0.250 4.890 4.640 0.000 0.000 0.247 962 D C -0.301 176.112 176.300 0.189 0.000 1.138 962 D CA 0.155 54.264 54.000 0.182 0.000 0.958 962 D CB 0.829 41.778 40.800 0.248 0.000 1.144 962 D HN 0.702 nan 8.370 nan 0.000 0.458 963 Q N 1.356 121.150 119.800 -0.010 0.000 2.406 963 Q HA 0.099 4.440 4.340 0.000 0.000 0.242 963 Q C -0.448 175.088 176.000 -0.773 0.000 1.036 963 Q CA -0.534 54.887 55.803 -0.636 0.000 0.904 963 Q CB 0.134 28.376 28.738 -0.827 0.000 1.244 963 Q HN 0.583 nan 8.270 nan 0.000 0.478 964 Y N 2.336 122.192 120.300 -0.741 0.000 2.493 964 Y HA 0.310 4.860 4.550 0.000 0.000 0.275 964 Y C -0.830 174.890 175.900 -0.300 0.000 1.183 964 Y CA -1.200 56.248 58.100 -1.087 0.000 1.258 964 Y CB -0.317 37.599 38.460 -0.905 0.000 1.108 964 Y HN 0.435 nan 8.280 nan 0.000 0.521 965 W N 0.202 121.270 121.300 -0.385 0.000 2.950 965 W HA 0.795 5.455 4.660 0.000 0.000 0.340 965 W C -3.195 173.347 176.519 0.038 0.000 1.139 965 W CA -3.256 54.012 57.345 -0.128 0.000 1.188 965 W CB 0.719 30.064 29.460 -0.193 0.000 1.426 965 W HN -0.317 nan 8.180 nan 0.000 0.531 966 P HA 0.097 nan 4.420 nan 0.000 0.276 966 P C 0.618 178.046 177.300 0.213 0.000 1.230 966 P CA 0.156 63.349 63.100 0.155 0.000 0.776 966 P CB 1.763 33.567 31.700 0.173 0.000 0.888 967 T N 1.458 116.042 114.554 0.050 0.000 2.746 967 T HA -0.131 4.220 4.350 0.000 0.000 0.267 967 T C 0.761 175.538 174.700 0.128 0.000 1.039 967 T CA 1.439 63.593 62.100 0.090 0.000 1.142 967 T CB -0.167 68.706 68.868 0.009 0.000 0.866 967 T HN 0.681 nan 8.240 nan 0.000 0.444 968 E N -0.289 119.965 120.200 0.090 0.000 2.433 968 E HA 0.462 4.812 4.350 0.000 0.000 0.278 968 E C -0.534 176.106 176.600 0.067 0.000 0.976 968 E CA -1.038 55.407 56.400 0.076 0.000 0.793 968 E CB 1.327 31.052 29.700 0.041 0.000 1.311 968 E HN -0.055 nan 8.360 nan 0.000 0.460 969 N N -0.176 118.559 118.700 0.057 0.000 1.258 969 N HA -0.200 4.540 4.740 0.000 0.000 0.141 969 N C -0.692 174.858 175.510 0.065 0.000 0.811 969 N CA 1.411 54.488 53.050 0.045 0.000 0.960 969 N CB -1.417 37.083 38.487 0.021 0.000 1.205 969 N HN 0.599 nan 8.380 nan 0.000 0.527 970 S N 0.464 116.185 115.700 0.034 0.000 2.599 970 S HA 0.658 5.129 4.470 0.000 0.000 0.294 970 S C -0.769 173.815 174.600 -0.027 0.000 1.094 970 S CA -0.504 57.708 58.200 0.020 0.000 0.931 970 S CB 2.738 65.936 63.200 -0.004 0.000 1.093 970 S HN 0.555 nan 8.310 nan 0.000 0.488 971 E N 0.798 120.958 120.200 -0.067 0.000 2.392 971 E HA 0.344 4.694 4.350 0.000 0.000 0.279 971 E C -1.728 174.642 176.600 -0.384 0.000 0.964 971 E CA -0.526 55.737 56.400 -0.229 0.000 0.777 971 E CB 1.497 31.045 29.700 -0.254 0.000 1.249 971 E HN 0.504 nan 8.360 nan 0.000 0.449 972 E N 2.887 122.788 120.200 -0.497 0.000 2.156 972 E HA 0.286 4.636 4.350 0.000 0.000 0.279 972 E C -1.232 175.003 176.600 -0.609 0.000 0.965 972 E CA -0.591 55.573 56.400 -0.394 0.000 0.789 972 E CB 0.613 30.189 29.700 -0.207 0.000 1.098 972 E HN 0.519 nan 8.360 nan 0.000 0.397 973 Y N 3.450 123.738 120.300 -0.019 0.000 2.787 973 Y HA 0.332 4.882 4.550 0.000 0.000 0.352 973 Y C 0.886 176.831 175.900 0.076 0.000 1.027 973 Y CA 0.015 58.166 58.100 0.085 0.000 1.219 973 Y CB 1.340 39.901 38.460 0.169 0.000 1.110 973 Y HN 0.903 nan 8.280 nan 0.000 0.614 974 G N 1.965 110.844 108.800 0.130 0.000 2.574 974 G HA2 -0.402 3.558 3.960 0.000 0.000 0.301 974 G HA3 -0.402 3.558 3.960 0.000 0.000 0.301 974 G C 0.964 175.880 174.900 0.026 0.000 1.166 974 G CA 0.701 45.851 45.100 0.083 0.000 0.971 974 G HN 0.499 nan 8.290 nan 0.000 0.542 975 N N 1.202 119.907 118.700 0.008 0.000 2.336 975 N HA 0.194 4.934 4.740 0.000 0.000 0.189 975 N C 0.476 175.921 175.510 -0.108 0.000 1.113 975 N CA 0.527 53.539 53.050 -0.064 0.000 0.858 975 N CB 0.350 38.778 38.487 -0.098 0.000 0.970 975 N HN 0.457 nan 8.380 nan 0.000 0.471 976 I N 1.866 122.413 120.570 -0.038 0.000 2.339 976 I HA 0.343 4.513 4.170 0.000 0.000 0.290 976 I C 0.140 176.231 176.117 -0.044 0.000 0.994 976 I CA -0.567 60.698 61.300 -0.058 0.000 1.191 976 I CB 1.303 39.328 38.000 0.042 0.000 1.343 976 I HN -0.230 nan 8.210 nan 0.000 0.458 977 I N 6.566 127.084 120.570 -0.087 0.000 2.312 977 I HA 0.314 4.484 4.170 0.000 0.000 0.290 977 I C -0.249 175.805 176.117 -0.104 0.000 1.008 977 I CA -0.690 60.559 61.300 -0.085 0.000 1.226 977 I CB 1.775 39.733 38.000 -0.070 0.000 1.371 977 I HN 0.163 nan 8.210 nan 0.000 0.468 978 V N 5.677 125.511 119.914 -0.134 0.000 2.384 978 V HA 0.351 4.471 4.120 0.000 0.000 0.287 978 V C 0.097 176.197 176.094 0.009 0.000 1.020 978 V CA -0.285 61.883 62.300 -0.220 0.000 0.850 978 V CB 1.736 33.151 31.823 -0.680 0.000 0.987 978 V HN 0.705 nan 8.190 nan 0.000 0.436 979 T N 6.041 120.665 114.554 0.116 0.000 2.807 979 T HA 0.460 4.810 4.350 0.000 0.000 0.279 979 T C -0.490 174.375 174.700 0.275 0.000 0.993 979 T CA -0.360 61.835 62.100 0.158 0.000 0.970 979 T CB 1.388 70.308 68.868 0.087 0.000 0.950 979 T HN 0.401 nan 8.240 nan 0.000 0.441 980 L N 4.016 125.376 121.223 0.228 0.000 2.369 980 L HA 0.313 4.653 4.340 0.000 0.000 0.279 980 L C 1.107 177.954 176.870 -0.038 0.000 1.108 980 L CA 0.544 55.403 54.840 0.032 0.000 0.852 980 L CB 0.451 42.545 42.059 0.058 0.000 1.169 980 L HN 0.437 nan 8.230 nan 0.000 0.452 981 K N 1.810 122.143 120.400 -0.111 0.000 2.244 981 K HA 0.312 4.632 4.320 0.000 0.000 0.200 981 K C 0.503 177.055 176.600 -0.081 0.000 1.052 981 K CA 0.824 57.074 56.287 -0.062 0.000 0.980 981 K CB 0.036 32.515 32.500 -0.035 0.000 0.838 981 K HN 0.913 nan 8.250 nan 0.000 0.481 982 S N -1.300 114.316 115.700 -0.140 0.000 2.587 982 S HA 0.514 4.984 4.470 0.000 0.000 0.269 982 S C -0.894 173.609 174.600 -0.161 0.000 1.154 982 S CA -0.809 57.323 58.200 -0.114 0.000 0.824 982 S CB 2.134 65.290 63.200 -0.075 0.000 1.118 982 S HN 0.050 nan 8.310 nan 0.000 0.462 983 T N 1.488 115.974 114.554 -0.113 0.000 2.881 983 T HA 0.545 4.895 4.350 0.000 0.000 0.291 983 T C -1.080 173.567 174.700 -0.088 0.000 0.990 983 T CA -0.603 61.430 62.100 -0.111 0.000 0.976 983 T CB 1.371 70.193 68.868 -0.077 0.000 0.970 983 T HN 0.676 nan 8.240 nan 0.000 0.438 984 K N 4.209 124.552 120.400 -0.094 0.000 2.339 984 K HA 0.543 4.863 4.320 0.000 0.000 0.264 984 K C -0.704 175.768 176.600 -0.213 0.000 0.986 984 K CA -0.624 55.586 56.287 -0.128 0.000 0.866 984 K CB 0.607 33.064 32.500 -0.072 0.000 1.103 984 K HN 0.565 nan 8.250 nan 0.000 0.441 985 I N 5.050 125.476 120.570 -0.239 0.000 2.315 985 I HA 0.227 4.397 4.170 0.000 0.000 0.291 985 I C -0.226 175.606 176.117 -0.476 0.000 1.006 985 I CA -0.723 60.432 61.300 -0.242 0.000 1.265 985 I CB 0.829 38.771 38.000 -0.096 0.000 1.387 985 I HN 0.672 nan 8.210 nan 0.000 0.475 986 H N 3.224 122.027 119.070 -0.445 0.000 2.771 986 H HA 0.516 5.072 4.556 0.000 0.000 0.344 986 H C 0.899 175.955 175.328 -0.454 0.000 1.260 986 H CA -0.501 55.161 56.048 -0.643 0.000 1.276 986 H CB 1.102 30.320 29.762 -0.907 0.000 1.881 986 H HN 0.587 nan 8.280 nan 0.000 0.615 987 A N -0.002 122.652 122.820 -0.276 0.000 1.883 987 A HA -0.188 4.132 4.320 0.000 0.000 0.217 987 A C 1.684 179.156 177.584 -0.187 0.000 1.186 987 A CA 2.324 54.253 52.037 -0.181 0.000 0.624 987 A CB -1.041 17.883 19.000 -0.127 0.000 0.822 987 A HN 0.713 nan 8.150 nan 0.000 0.444 988 C N -3.250 115.929 119.300 -0.203 0.000 2.935 988 C HA 0.453 4.913 4.460 0.000 0.000 0.308 988 C C 0.504 175.200 174.990 -0.489 0.000 1.263 988 C CA 0.143 58.950 59.018 -0.353 0.000 1.738 988 C CB -1.220 26.375 27.740 -0.243 0.000 2.237 988 C HN 0.676 nan 8.230 nan 0.000 0.600 989 Y N -1.415 118.707 120.300 -0.297 0.000 2.615 989 Y HA 0.702 5.252 4.550 0.000 0.000 0.341 989 Y C -0.727 175.191 175.900 0.030 0.000 1.089 989 Y CA -0.877 57.116 58.100 -0.178 0.000 1.049 989 Y CB 0.695 39.209 38.460 0.091 0.000 1.296 989 Y HN -0.234 nan 8.280 nan 0.000 0.470 990 T N 2.482 117.087 114.554 0.085 0.000 2.824 990 T HA 0.554 4.904 4.350 0.000 0.000 0.282 990 T C -1.209 173.595 174.700 0.173 0.000 0.993 990 T CA -0.671 61.447 62.100 0.029 0.000 0.967 990 T CB 1.540 70.366 68.868 -0.069 0.000 0.960 990 T HN 0.595 nan 8.240 nan 0.000 0.441 991 V N 4.508 124.477 119.914 0.091 0.000 2.394 991 V HA 0.508 4.628 4.120 0.000 0.000 0.282 991 V C 0.132 176.141 176.094 -0.142 0.000 1.031 991 V CA -0.743 61.521 62.300 -0.060 0.000 0.881 991 V CB 1.248 33.007 31.823 -0.106 0.000 0.982 991 V HN 0.694 nan 8.190 nan 0.000 0.451 992 R N 3.888 124.259 120.500 -0.215 0.000 2.409 992 R HA 0.474 4.815 4.340 0.000 0.000 0.313 992 R C -0.352 175.673 176.300 -0.460 0.000 0.953 992 R CA -0.739 55.132 56.100 -0.382 0.000 0.849 992 R CB 2.145 32.156 30.300 -0.483 0.000 1.171 992 R HN 0.587 nan 8.270 nan 0.000 0.458 993 R N 3.715 123.965 120.500 -0.418 0.000 2.234 993 R HA 0.271 4.611 4.340 0.000 0.000 0.324 993 R C -1.080 174.971 176.300 -0.415 0.000 1.054 993 R CA -0.019 55.918 56.100 -0.272 0.000 0.912 993 R CB 0.440 30.661 30.300 -0.132 0.000 1.030 993 R HN 0.342 nan 8.270 nan 0.000 0.455 994 F N 0.889 120.878 119.950 0.064 0.000 2.522 994 F HA 0.335 4.862 4.527 0.000 0.000 0.324 994 F C 0.473 176.317 175.800 0.073 0.000 1.077 994 F CA -0.651 57.394 58.000 0.074 0.000 0.944 994 F CB 2.273 41.343 39.000 0.116 0.000 1.175 994 F HN 0.302 nan 8.300 nan 0.000 0.468 995 S N 3.360 119.207 115.700 0.245 0.000 2.451 995 S HA 0.722 5.192 4.470 0.000 0.000 0.301 995 S C -0.693 174.001 174.600 0.157 0.000 1.116 995 S CA -0.661 57.646 58.200 0.179 0.000 1.093 995 S CB 0.338 63.610 63.200 0.120 0.000 1.017 995 S HN 0.543 nan 8.310 nan 0.000 0.482 996 I N 2.654 123.328 120.570 0.172 0.000 2.493 996 I HA 0.711 4.881 4.170 0.000 0.000 0.298 996 I C -0.558 175.678 176.117 0.197 0.000 0.998 996 I CA -0.966 60.412 61.300 0.130 0.000 1.137 996 I CB 1.652 39.744 38.000 0.152 0.000 1.310 996 I HN 0.563 nan 8.210 nan 0.000 0.445 997 R N 4.333 124.873 120.500 0.066 0.000 2.513 997 R HA 0.342 4.682 4.340 0.000 0.000 0.301 997 R C -1.185 174.987 176.300 -0.214 0.000 0.968 997 R CA -0.637 55.460 56.100 -0.004 0.000 0.872 997 R CB 1.268 31.562 30.300 -0.010 0.000 1.177 997 R HN 0.783 nan 8.270 nan 0.000 0.444 998 N N 2.293 120.682 118.700 -0.519 0.000 2.439 998 N HA 0.012 4.752 4.740 0.000 0.000 0.249 998 N C 0.715 175.984 175.510 -0.401 0.000 1.003 998 N CA 0.018 52.615 53.050 -0.756 0.000 0.942 998 N CB 1.822 39.254 38.487 -1.759 0.000 1.115 998 N HN 0.746 nan 8.380 nan 0.000 0.505 999 T N 1.070 115.469 114.554 -0.258 0.000 2.962 999 T HA -0.019 4.331 4.350 0.000 0.000 0.270 999 T C 1.050 175.671 174.700 -0.131 0.000 1.088 999 T CA 1.089 63.099 62.100 -0.151 0.000 1.127 999 T CB 0.090 68.894 68.868 -0.107 0.000 0.883 999 T HN 0.236 nan 8.240 nan 0.000 0.493 1000 K N 0.722 121.023 120.400 -0.165 0.000 2.469 1000 K HA 0.446 4.767 4.320 0.000 0.000 0.201 1000 K C -0.629 175.916 176.600 -0.091 0.000 1.028 1000 K CA -0.132 56.090 56.287 -0.109 0.000 1.170 1000 K CB 0.521 32.966 32.500 -0.092 0.000 0.874 1000 K HN 0.282 nan 8.250 nan 0.000 0.507 1001 V N 1.536 121.384 119.914 -0.110 0.000 2.628 1001 V HA 0.268 4.388 4.120 0.000 0.000 0.306 1001 V C -0.113 175.991 176.094 0.016 0.000 1.045 1001 V CA -1.281 61.005 62.300 -0.022 0.000 0.905 1001 V CB 1.859 33.685 31.823 0.006 0.000 0.997 1001 V HN 0.035 nan 8.190 nan 0.000 0.436 1002 K N 2.812 123.242 120.400 0.050 0.000 2.319 1002 K HA 0.237 4.557 4.320 0.000 0.000 0.265 1002 K C 0.797 177.434 176.600 0.063 0.000 1.000 1002 K CA -0.084 56.230 56.287 0.045 0.000 0.943 1002 K CB 0.794 33.322 32.500 0.045 0.000 0.950 1002 K HN 0.527 nan 8.250 nan 0.000 0.485 1003 K N 0.762 121.191 120.400 0.047 0.000 2.305 1003 K HA 0.014 4.334 4.320 0.000 0.000 0.199 1003 K C 0.931 177.563 176.600 0.054 0.000 1.047 1003 K CA 0.580 56.899 56.287 0.053 0.000 0.976 1003 K CB 0.003 32.525 32.500 0.036 0.000 0.765 1003 K HN 0.938 nan 8.250 nan 0.000 0.474 1004 G N 1.696 110.524 108.800 0.047 0.000 2.681 1004 G HA2 -0.312 3.648 3.960 0.000 0.000 0.220 1004 G HA3 -0.312 3.648 3.960 0.000 0.000 0.220 1004 G C -0.987 173.932 174.900 0.031 0.000 1.353 1004 G CA -0.540 44.584 45.100 0.041 0.000 0.872 1004 G HN 0.291 nan 8.290 nan 0.000 0.557 1005 Q N -0.109 119.708 119.800 0.028 0.000 2.293 1005 Q HA 0.441 4.781 4.340 0.000 0.000 0.251 1005 Q C 1.679 177.693 176.000 0.022 0.000 0.930 1005 Q CA -0.231 55.585 55.803 0.022 0.000 0.893 1005 Q CB 0.647 29.397 28.738 0.019 0.000 1.215 1005 Q HN 0.545 nan 8.270 nan 0.000 0.425 1006 K N 2.294 122.706 120.400 0.019 0.000 2.063 1006 K HA -0.135 4.185 4.320 0.000 0.000 0.208 1006 K C 1.527 178.138 176.600 0.017 0.000 1.048 1006 K CA 1.303 57.600 56.287 0.018 0.000 0.928 1006 K CB -0.180 32.329 32.500 0.015 0.000 0.713 1006 K HN 0.875 nan 8.250 nan 0.000 0.442 1007 G N 1.638 110.447 108.800 0.015 0.000 2.708 1007 G HA2 -0.175 3.785 3.960 0.000 0.000 0.210 1007 G HA3 -0.175 3.785 3.960 0.000 0.000 0.210 1007 G C 0.490 175.400 174.900 0.016 0.000 1.141 1007 G CA -0.140 44.968 45.100 0.014 0.000 0.788 1007 G HN 0.180 nan 8.290 nan 0.000 0.531 1008 N N 0.950 119.661 118.700 0.019 0.000 2.452 1008 N HA 0.118 4.858 4.740 0.000 0.000 0.266 1008 N C -1.258 174.264 175.510 0.020 0.000 1.209 1008 N CA -1.407 51.654 53.050 0.020 0.000 0.929 1008 N CB 1.789 40.291 38.487 0.024 0.000 1.063 1008 N HN -0.075 nan 8.380 nan 0.000 0.472 1009 P HA -0.046 nan 4.420 nan 0.000 0.218 1009 P C 0.649 177.961 177.300 0.019 0.000 1.149 1009 P CA 1.236 64.346 63.100 0.016 0.000 0.817 1009 P CB 0.359 32.067 31.700 0.013 0.000 0.785 1010 K N -0.845 119.566 120.400 0.019 0.000 2.442 1010 K HA 0.165 4.485 4.320 0.000 0.000 0.198 1010 K C 1.163 177.780 176.600 0.030 0.000 1.042 1010 K CA 0.567 56.867 56.287 0.022 0.000 0.958 1010 K CB -0.454 32.056 32.500 0.017 0.000 0.766 1010 K HN 0.224 nan 8.250 nan 0.000 0.474 1011 G N 1.492 110.311 108.800 0.031 0.000 2.615 1011 G HA2 -0.280 3.680 3.960 0.000 0.000 0.218 1011 G HA3 -0.280 3.680 3.960 0.000 0.000 0.218 1011 G C -1.063 173.865 174.900 0.046 0.000 1.339 1011 G CA -0.750 44.373 45.100 0.038 0.000 0.884 1011 G HN 0.272 nan 8.290 nan 0.000 0.559 1012 R N 0.408 120.942 120.500 0.056 0.000 2.401 1012 R HA 0.236 4.576 4.340 0.000 0.000 0.299 1012 R C 1.366 177.724 176.300 0.097 0.000 1.064 1012 R CA -0.237 55.904 56.100 0.069 0.000 1.000 1012 R CB 0.603 30.942 30.300 0.066 0.000 0.973 1012 R HN 0.476 nan 8.270 nan 0.000 0.438 1013 Q N 1.687 121.548 119.800 0.101 0.000 2.435 1013 Q HA -0.086 4.254 4.340 0.000 0.000 0.207 1013 Q C 0.621 176.764 176.000 0.238 0.000 0.956 1013 Q CA 0.796 56.676 55.803 0.128 0.000 0.917 1013 Q CB 0.065 28.860 28.738 0.096 0.000 0.997 1013 Q HN 0.594 nan 8.270 nan 0.000 0.497 1014 N N 0.082 118.925 118.700 0.238 0.000 2.313 1014 N HA -0.013 4.727 4.740 0.000 0.000 0.207 1014 N C -0.537 175.205 175.510 0.388 0.000 1.141 1014 N CA 0.112 53.358 53.050 0.327 0.000 0.830 1014 N CB 0.401 38.946 38.487 0.096 0.000 1.008 1014 N HN 0.090 nan 8.380 nan 0.000 0.481 1015 E N 0.059 120.474 120.200 0.359 0.000 2.293 1015 E HA 0.530 4.880 4.350 0.000 0.000 0.270 1015 E C -0.807 175.939 176.600 0.243 0.000 0.879 1015 E CA -0.707 55.872 56.400 0.298 0.000 0.756 1015 E CB 2.244 32.042 29.700 0.164 0.000 1.208 1015 E HN 0.131 nan 8.360 nan 0.000 0.428 1016 R N 0.662 121.303 120.500 0.234 0.000 2.739 1016 R HA 0.493 4.833 4.340 0.000 0.000 0.271 1016 R C -1.232 175.153 176.300 0.142 0.000 1.010 1016 R CA -0.937 55.232 56.100 0.115 0.000 0.897 1016 R CB 1.844 32.137 30.300 -0.012 0.000 1.236 1016 R HN 0.201 nan 8.270 nan 0.000 0.466 1017 V N 2.171 122.151 119.914 0.111 0.000 2.465 1017 V HA 0.326 4.446 4.120 0.000 0.000 0.279 1017 V C -0.219 175.974 176.094 0.166 0.000 1.045 1017 V CA -0.564 61.819 62.300 0.139 0.000 0.938 1017 V CB 1.502 33.388 31.823 0.104 0.000 0.986 1017 V HN 0.409 nan 8.190 nan 0.000 0.467 1018 V N 6.325 126.390 119.914 0.253 0.000 2.409 1018 V HA 0.491 4.611 4.120 0.000 0.000 0.291 1018 V C -0.191 176.111 176.094 0.347 0.000 1.020 1018 V CA -0.428 62.053 62.300 0.302 0.000 0.848 1018 V CB 1.620 33.687 31.823 0.406 0.000 0.990 1018 V HN 0.672 nan 8.190 nan 0.000 0.430 1019 I N 4.280 124.998 120.570 0.246 0.000 2.321 1019 I HA 0.405 4.575 4.170 0.000 0.000 0.291 1019 I C 0.144 176.374 176.117 0.189 0.000 0.998 1019 I CA -0.229 61.167 61.300 0.160 0.000 1.227 1019 I CB 1.352 39.399 38.000 0.078 0.000 1.368 1019 I HN 0.643 nan 8.210 nan 0.000 0.466 1020 Q N 6.335 126.242 119.800 0.178 0.000 2.331 1020 Q HA 0.277 4.617 4.340 0.000 0.000 0.257 1020 Q C -1.681 174.340 176.000 0.035 0.000 0.957 1020 Q CA -0.614 55.300 55.803 0.186 0.000 0.923 1020 Q CB 0.880 29.775 28.738 0.262 0.000 1.212 1020 Q HN 0.521 nan 8.270 nan 0.000 0.443 1021 Y N 3.414 123.846 120.300 0.221 0.000 2.518 1021 Y HA 0.163 4.713 4.550 0.000 0.000 0.344 1021 Y C -0.236 175.982 175.900 0.529 0.000 0.982 1021 Y CA -0.390 57.916 58.100 0.344 0.000 1.234 1021 Y CB 0.626 39.139 38.460 0.090 0.000 1.114 1021 Y HN 0.568 nan 8.280 nan 0.000 0.515 1022 H N 4.317 123.659 119.070 0.452 0.000 2.595 1022 H HA 0.209 4.765 4.556 0.000 0.000 0.313 1022 H C -1.380 174.059 175.328 0.184 0.000 1.023 1022 H CA -0.945 55.241 56.048 0.230 0.000 1.218 1022 H CB 0.650 30.434 29.762 0.036 0.000 1.403 1022 H HN 0.683 nan 8.280 nan 0.000 0.477 1023 Y N 4.627 124.903 120.300 -0.039 0.000 2.359 1023 Y HA 0.019 4.569 4.550 0.000 0.000 0.334 1023 Y C 1.104 176.929 175.900 -0.125 0.000 1.058 1023 Y CA 0.621 58.503 58.100 -0.364 0.000 1.244 1023 Y CB 1.178 39.193 38.460 -0.741 0.000 1.187 1023 Y HN 0.761 nan 8.280 nan 0.000 0.510 1024 T N 0.311 114.577 114.554 -0.479 0.000 3.044 1024 T HA 0.118 4.468 4.350 0.000 0.000 0.260 1024 T C 0.628 175.220 174.700 -0.180 0.000 1.019 1024 T CA 0.003 61.911 62.100 -0.320 0.000 0.921 1024 T CB 0.268 68.893 68.868 -0.405 0.000 1.053 1024 T HN 0.587 nan 8.240 nan 0.000 0.533 1025 Q N -0.139 119.491 119.800 -0.283 0.000 2.159 1025 Q HA 0.195 4.535 4.340 0.000 0.000 0.217 1025 Q C -0.536 175.617 176.000 0.255 0.000 0.818 1025 Q CA -0.429 55.336 55.803 -0.064 0.000 1.008 1025 Q CB 0.349 28.969 28.738 -0.197 0.000 1.148 1025 Q HN 0.622 nan 8.270 nan 0.000 0.491 1026 W N 5.494 126.967 121.300 0.289 0.000 2.469 1026 W HA 0.118 4.778 4.660 0.000 0.000 0.321 1026 W C -2.169 174.384 176.519 0.057 0.000 1.415 1026 W CA -1.330 56.121 57.345 0.178 0.000 1.308 1026 W CB 0.492 30.027 29.460 0.125 0.000 1.368 1026 W HN -0.002 nan 8.180 nan 0.000 0.546 1027 P HA -0.127 nan 4.420 nan 0.000 0.266 1027 P C 0.322 177.734 177.300 0.188 0.000 1.193 1027 P CA 0.594 63.710 63.100 0.027 0.000 0.770 1027 P CB 0.815 32.432 31.700 -0.139 0.000 0.836 1028 D N 0.939 121.413 120.400 0.122 0.000 2.317 1028 D HA -0.039 4.601 4.640 0.000 0.000 0.211 1028 D C 0.553 176.906 176.300 0.088 0.000 0.966 1028 D CA 1.172 55.245 54.000 0.121 0.000 0.876 1028 D CB -0.177 40.669 40.800 0.078 0.000 0.927 1028 D HN 0.197 nan 8.370 nan 0.000 0.519 1029 M N 0.720 120.350 119.600 0.050 0.000 2.243 1029 M HA 0.493 4.973 4.480 0.000 0.000 0.324 1029 M C 0.821 177.114 176.300 -0.012 0.000 1.031 1029 M CA -0.190 55.121 55.300 0.020 0.000 0.949 1029 M CB 1.654 34.252 32.600 -0.003 0.000 1.615 1029 M HN 0.279 nan 8.290 nan 0.000 0.430 1030 G N 2.348 111.150 108.800 0.003 0.000 2.539 1030 G HA2 -0.168 3.792 3.960 0.000 0.000 0.256 1030 G HA3 -0.168 3.792 3.960 0.000 0.000 0.256 1030 G C -0.551 174.278 174.900 -0.119 0.000 1.233 1030 G CA -0.156 44.914 45.100 -0.049 0.000 0.936 1030 G HN 1.054 nan 8.290 nan 0.000 0.571 1031 V N -2.436 117.312 119.914 -0.277 0.000 2.994 1031 V HA 0.847 4.967 4.120 0.000 0.000 0.318 1031 V C -2.287 173.338 176.094 -0.781 0.000 1.085 1031 V CA -1.876 60.056 62.300 -0.614 0.000 0.998 1031 V CB 1.605 33.095 31.823 -0.554 0.000 1.063 1031 V HN 0.760 nan 8.190 nan 0.000 0.447 1032 P HA 0.227 nan 4.420 nan 0.000 0.268 1032 P C 0.300 177.323 177.300 -0.461 0.000 1.205 1032 P CA 0.166 62.767 63.100 -0.832 0.000 0.771 1032 P CB 0.821 31.966 31.700 -0.924 0.000 0.858 1033 E N 2.383 122.313 120.200 -0.451 0.000 2.107 1033 E HA -0.113 4.238 4.350 0.000 0.000 0.191 1033 E C -0.398 175.869 176.600 -0.555 0.000 0.982 1033 E CA 1.396 57.433 56.400 -0.605 0.000 0.809 1033 E CB -0.183 28.911 29.700 -1.010 0.000 0.756 1033 E HN 0.458 nan 8.360 nan 0.000 0.459 1034 Y N -1.197 119.136 120.300 0.055 0.000 2.331 1034 Y HA 0.595 5.145 4.550 -0.000 0.000 0.334 1034 Y C 0.792 176.801 175.900 0.180 0.000 0.960 1034 Y CA -0.465 57.699 58.100 0.107 0.000 1.130 1034 Y CB 1.599 40.109 38.460 0.083 0.000 1.164 1034 Y HN -0.050 nan 8.280 nan 0.000 0.458 1035 A N 2.917 125.927 122.820 0.316 0.000 2.067 1035 A HA -0.060 4.260 4.320 0.000 0.000 0.219 1035 A C 1.932 179.641 177.584 0.209 0.000 1.158 1035 A CA 1.144 53.322 52.037 0.235 0.000 0.661 1035 A CB -0.457 18.547 19.000 0.006 0.000 0.801 1035 A HN 0.972 nan 8.150 nan 0.000 0.452 1036 L N 0.111 121.468 121.223 0.222 0.000 1.970 1036 L HA -0.130 4.210 4.340 0.000 0.000 0.212 1036 L C -0.220 176.781 176.870 0.218 0.000 1.071 1036 L CA 1.956 56.913 54.840 0.195 0.000 0.751 1036 L CB -1.173 40.987 42.059 0.169 0.000 0.889 1036 L HN 0.294 nan 8.230 nan 0.000 0.432 1037 P HA -0.096 nan 4.420 nan 0.000 0.223 1037 P C 1.747 179.308 177.300 0.435 0.000 1.151 1037 P CA 1.155 64.447 63.100 0.321 0.000 0.787 1037 P CB 0.137 32.026 31.700 0.316 0.000 0.788 1038 V N 0.185 120.317 119.914 0.363 0.000 2.346 1038 V HA -0.164 3.956 4.120 0.000 0.000 0.244 1038 V C 2.790 179.046 176.094 0.270 0.000 1.037 1038 V CA 1.265 63.741 62.300 0.293 0.000 1.029 1038 V CB -1.139 30.833 31.823 0.250 0.000 0.663 1038 V HN -0.015 nan 8.190 nan 0.000 0.454 1039 L N -0.135 121.198 121.223 0.184 0.000 2.042 1039 L HA -0.213 4.127 4.340 0.000 0.000 0.210 1039 L C 2.648 179.572 176.870 0.090 0.000 1.076 1039 L CA 2.096 56.991 54.840 0.092 0.000 0.749 1039 L CB -0.949 41.145 42.059 0.059 0.000 0.893 1039 L HN 0.353 nan 8.230 nan 0.000 0.432 1040 T N -0.475 114.168 114.554 0.149 0.000 2.746 1040 T HA -0.233 4.117 4.350 0.000 0.000 0.267 1040 T C 1.585 176.327 174.700 0.071 0.000 1.039 1040 T CA 1.589 63.764 62.100 0.126 0.000 1.142 1040 T CB -0.380 68.601 68.868 0.189 0.000 0.866 1040 T HN 0.257 nan 8.240 nan 0.000 0.444 1041 F N 1.926 121.869 119.950 -0.012 0.000 2.102 1041 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 1041 F C 2.203 177.938 175.800 -0.108 0.000 1.105 1041 F CA 0.827 58.719 58.000 -0.180 0.000 1.239 1041 F CB -0.617 38.436 39.000 0.090 0.000 0.991 1041 F HN -0.090 nan 8.300 nan 0.000 0.474 1042 V N 1.051 120.940 119.914 -0.042 0.000 2.287 1042 V HA -0.315 3.805 4.120 0.000 0.000 0.248 1042 V C 2.525 178.459 176.094 -0.267 0.000 1.053 1042 V CA 2.370 64.558 62.300 -0.187 0.000 1.027 1042 V CB -0.764 30.930 31.823 -0.215 0.000 0.646 1042 V HN 0.286 nan 8.190 nan 0.000 0.447 1043 R N -0.417 119.970 120.500 -0.189 0.000 2.081 1043 R HA -0.116 4.224 4.340 0.000 0.000 0.235 1043 R C 2.567 178.738 176.300 -0.215 0.000 1.131 1043 R CA 1.525 57.525 56.100 -0.167 0.000 0.960 1043 R CB -0.305 29.938 30.300 -0.094 0.000 0.856 1043 R HN 0.479 nan 8.270 nan 0.000 0.436 1044 R N 0.069 120.398 120.500 -0.286 0.000 2.073 1044 R HA -0.050 4.290 4.340 0.000 0.000 0.229 1044 R C 2.571 178.487 176.300 -0.641 0.000 1.120 1044 R CA 1.611 57.512 56.100 -0.332 0.000 0.967 1044 R CB -0.189 29.969 30.300 -0.237 0.000 0.862 1044 R HN 0.260 nan 8.270 nan 0.000 0.436 1045 S N -0.008 115.097 115.700 -0.992 0.000 2.399 1045 S HA -0.150 4.320 4.470 0.000 0.000 0.231 1045 S C 2.089 176.370 174.600 -0.532 0.000 1.022 1045 S CA 1.568 59.003 58.200 -1.276 0.000 0.983 1045 S CB -0.166 62.331 63.200 -1.172 0.000 0.803 1045 S HN 0.232 nan 8.310 nan 0.000 0.480 1046 S N 1.915 117.431 115.700 -0.308 0.000 2.377 1046 S HA 0.202 4.672 4.470 0.000 0.000 0.223 1046 S C 2.068 176.598 174.600 -0.117 0.000 1.030 1046 S CA 0.836 58.960 58.200 -0.127 0.000 0.970 1046 S CB -0.841 62.290 63.200 -0.115 0.000 0.830 1046 S HN 0.760 nan 8.310 nan 0.000 0.473 1047 A N 0.809 123.544 122.820 -0.141 0.000 2.172 1047 A HA 0.389 4.709 4.320 0.000 0.000 0.216 1047 A C 2.181 179.731 177.584 -0.057 0.000 1.154 1047 A CA 1.347 53.334 52.037 -0.085 0.000 0.701 1047 A CB -0.898 18.058 19.000 -0.073 0.000 0.789 1047 A HN 0.742 nan 8.150 nan 0.000 0.465 1048 A N -0.502 122.266 122.820 -0.086 0.000 2.168 1048 A HA 0.044 4.364 4.320 0.000 0.000 0.215 1048 A C 1.464 179.064 177.584 0.027 0.000 1.152 1048 A CA 0.111 52.151 52.037 0.006 0.000 0.716 1048 A CB -0.335 18.692 19.000 0.047 0.000 0.794 1048 A HN 0.462 nan 8.150 nan 0.000 0.465 1049 R N 0.980 121.475 120.500 -0.007 0.000 2.458 1049 R HA 0.136 4.476 4.340 0.000 0.000 0.303 1049 R C -0.470 175.827 176.300 -0.004 0.000 1.013 1049 R CA 0.126 56.224 56.100 -0.003 0.000 1.026 1049 R CB 0.081 30.365 30.300 -0.026 0.000 0.948 1049 R HN 0.205 nan 8.270 nan 0.000 0.417 1050 M N 5.541 125.143 119.600 0.003 0.000 2.342 1050 M HA 0.368 4.848 4.480 0.000 0.000 0.332 1050 M C -1.907 174.385 176.300 -0.014 0.000 1.166 1050 M CA -2.733 52.567 55.300 0.000 0.000 1.086 1050 M CB 0.814 33.420 32.600 0.010 0.000 1.541 1050 M HN 0.449 nan 8.290 nan 0.000 0.462 1051 P HA 0.117 nan 4.420 nan 0.000 0.273 1051 P C -0.675 176.609 177.300 -0.027 0.000 1.250 1051 P CA -0.135 62.951 63.100 -0.024 0.000 0.793 1051 P CB 0.030 31.718 31.700 -0.020 0.000 1.011 1052 E N -2.640 117.540 120.200 -0.033 0.000 2.238 1052 E HA -0.268 4.082 4.350 0.000 0.000 0.219 1052 E C -0.732 175.842 176.600 -0.044 0.000 1.275 1052 E CA 0.556 56.933 56.400 -0.038 0.000 0.714 1052 E CB -2.383 27.297 29.700 -0.033 0.000 1.154 1052 E HN 0.319 nan 8.360 nan 0.000 0.363 1053 T N -0.829 113.697 114.554 -0.046 0.000 2.930 1053 T HA 0.661 5.011 4.350 0.000 0.000 0.290 1053 T C 0.602 175.269 174.700 -0.055 0.000 1.052 1053 T CA 0.007 62.077 62.100 -0.050 0.000 1.017 1053 T CB 1.611 70.458 68.868 -0.035 0.000 1.137 1053 T HN 0.471 nan 8.240 nan 0.000 0.511 1054 G N 2.136 110.901 108.800 -0.059 0.000 2.588 1054 G HA2 0.522 4.482 3.960 0.000 0.000 0.278 1054 G HA3 0.522 4.482 3.960 0.000 0.000 0.278 1054 G C -2.416 172.462 174.900 -0.036 0.000 1.307 1054 G CA -1.093 43.978 45.100 -0.048 0.000 1.016 1054 G HN 0.618 nan 8.290 nan 0.000 0.503 1055 P HA 0.097 nan 4.420 nan 0.000 0.267 1055 P C -0.056 177.244 177.300 0.001 0.000 1.200 1055 P CA -0.222 62.877 63.100 -0.001 0.000 0.772 1055 P CB 0.847 32.600 31.700 0.087 0.000 0.855 1056 V N 4.445 124.365 119.914 0.010 0.000 2.521 1056 V HA 0.025 4.145 4.120 0.000 0.000 0.286 1056 V C 0.927 177.096 176.094 0.125 0.000 1.034 1056 V CA -0.120 62.226 62.300 0.077 0.000 1.045 1056 V CB 0.416 32.321 31.823 0.137 0.000 0.974 1056 V HN 0.436 nan 8.190 nan 0.000 0.480 1057 L N 6.819 128.073 121.223 0.053 0.000 2.276 1057 L HA 0.572 4.912 4.340 0.000 0.000 0.286 1057 L C -0.690 176.205 176.870 0.041 0.000 1.061 1057 L CA -0.142 54.709 54.840 0.017 0.000 0.807 1057 L CB 1.241 43.240 42.059 -0.100 0.000 1.177 1057 L HN 0.466 nan 8.230 nan 0.000 0.429 1058 V N 4.366 124.299 119.914 0.032 0.000 2.483 1058 V HA 0.491 4.612 4.120 0.000 0.000 0.297 1058 V C -0.769 175.323 176.094 -0.003 0.000 1.027 1058 V CA -0.609 61.649 62.300 -0.070 0.000 0.855 1058 V CB 1.335 33.088 31.823 -0.116 0.000 0.995 1058 V HN 0.963 nan 8.190 nan 0.000 0.424 1059 H N 2.253 121.279 119.070 -0.075 0.000 2.946 1059 H HA 0.885 5.441 4.556 0.000 0.000 0.365 1059 H C -0.071 175.210 175.328 -0.078 0.000 1.197 1059 H CA -0.211 55.796 56.048 -0.068 0.000 1.131 1059 H CB 1.683 31.409 29.762 -0.059 0.000 1.849 1059 H HN 0.721 nan 8.280 nan 0.000 0.555 1060 C N -0.464 118.861 119.300 0.042 0.000 4.104 1060 C HA 0.612 5.072 4.460 0.000 0.000 0.150 1060 C C 1.833 176.909 174.990 0.143 0.000 3.163 1060 C CA 0.352 59.361 59.018 -0.015 0.000 1.743 1060 C CB 0.881 28.526 27.740 -0.158 0.000 3.735 1060 C HN 0.793 nan 8.230 nan 0.000 0.447 1061 S N 0.383 116.136 115.700 0.089 0.000 2.357 1061 S HA 0.262 4.732 4.470 0.000 0.000 0.209 1061 S C 2.021 176.722 174.600 0.169 0.000 1.023 1061 S CA 1.210 59.495 58.200 0.140 0.000 0.933 1061 S CB -0.797 62.522 63.200 0.197 0.000 0.897 1061 S HN 1.021 nan 8.310 nan 0.000 0.529 1062 A N -0.038 122.928 122.820 0.242 0.000 2.014 1062 A HA 0.389 4.709 4.320 0.000 0.000 0.218 1062 A C 1.628 179.282 177.584 0.116 0.000 1.163 1062 A CA 1.307 53.499 52.037 0.260 0.000 0.652 1062 A CB -1.113 18.009 19.000 0.204 0.000 0.808 1062 A HN 1.454 nan 8.150 nan 0.000 0.449 1063 G N -1.681 107.161 108.800 0.070 0.000 2.171 1063 G HA2 -0.147 3.813 3.960 0.000 0.000 0.238 1063 G HA3 -0.147 3.813 3.960 0.000 0.000 0.238 1063 G C 0.711 175.625 174.900 0.023 0.000 1.039 1063 G CA 0.845 45.966 45.100 0.035 0.000 0.759 1063 G HN 1.644 nan 8.290 nan 0.000 0.501 1064 V N -4.537 115.399 119.914 0.036 0.000 3.261 1064 V HA 0.642 4.762 4.120 0.000 0.000 0.212 1064 V C 2.228 178.360 176.094 0.063 0.000 1.381 1064 V CA 1.472 63.809 62.300 0.062 0.000 1.322 1064 V CB -0.580 31.322 31.823 0.131 0.000 1.188 1064 V HN 0.897 nan 8.190 nan 0.000 0.520 1065 G N 0.740 109.563 108.800 0.037 0.000 2.518 1065 G HA2 -0.019 3.942 3.960 0.000 0.000 0.213 1065 G HA3 -0.019 3.942 3.960 0.000 0.000 0.213 1065 G C 1.616 176.514 174.900 -0.004 0.000 1.226 1065 G CA 0.749 45.877 45.100 0.047 0.000 0.822 1065 G HN 0.435 nan 8.290 nan 0.000 0.546 1066 R N -0.065 120.330 120.500 -0.174 0.000 2.096 1066 R HA -0.016 4.324 4.340 0.000 0.000 0.235 1066 R C 2.805 178.971 176.300 -0.223 0.000 1.127 1066 R CA 1.633 57.472 56.100 -0.435 0.000 0.968 1066 R CB -0.758 28.973 30.300 -0.948 0.000 0.861 1066 R HN 0.264 nan 8.270 nan 0.000 0.440 1067 T N 0.099 114.569 114.554 -0.140 0.000 2.684 1067 T HA -0.144 4.206 4.350 0.000 0.000 0.267 1067 T C 1.921 176.634 174.700 0.021 0.000 1.036 1067 T CA 1.669 63.732 62.100 -0.061 0.000 1.148 1067 T CB -0.532 68.305 68.868 -0.053 0.000 0.863 1067 T HN 0.569 nan 8.240 nan 0.000 0.436 1068 G N 0.844 109.669 108.800 0.042 0.000 2.402 1068 G HA2 -0.185 3.775 3.960 0.000 0.000 0.216 1068 G HA3 -0.185 3.775 3.960 0.000 0.000 0.216 1068 G C 1.719 176.701 174.900 0.137 0.000 1.162 1068 G CA 1.395 46.544 45.100 0.082 0.000 0.777 1068 G HN 0.448 nan 8.290 nan 0.000 0.539 1069 T N 0.265 114.920 114.554 0.169 0.000 2.597 1069 T HA -0.306 4.044 4.350 0.000 0.000 0.267 1069 T C 1.940 176.765 174.700 0.207 0.000 1.053 1069 T CA 1.681 63.925 62.100 0.240 0.000 1.165 1069 T CB -0.534 68.538 68.868 0.339 0.000 0.863 1069 T HN 0.356 nan 8.240 nan 0.000 0.427 1070 Y N 1.376 121.721 120.300 0.076 0.000 2.114 1070 Y HA -0.195 4.356 4.550 0.000 0.000 0.282 1070 Y C 2.169 178.046 175.900 -0.039 0.000 1.165 1070 Y CA 1.271 59.394 58.100 0.038 0.000 1.148 1070 Y CB -0.474 37.984 38.460 -0.004 0.000 0.972 1070 Y HN 0.202 nan 8.280 nan 0.000 0.504 1071 I N -1.195 119.375 120.570 0.000 0.000 2.315 1071 I HA -0.281 3.889 4.170 0.000 0.000 0.248 1071 I C 2.032 178.150 176.117 0.002 0.000 1.117 1071 I CA 1.085 62.248 61.300 -0.230 0.000 1.404 1071 I CB -0.272 37.527 38.000 -0.335 0.000 1.071 1071 I HN 0.129 nan 8.210 nan 0.000 0.419 1072 V N 0.690 120.673 119.914 0.115 0.000 2.407 1072 V HA -0.181 3.939 4.120 0.000 0.000 0.245 1072 V C 2.217 178.285 176.094 -0.043 0.000 1.041 1072 V CA 1.394 63.807 62.300 0.189 0.000 1.040 1072 V CB -0.276 31.710 31.823 0.271 0.000 0.671 1072 V HN 0.288 nan 8.190 nan 0.000 0.455 1073 I N 0.645 121.162 120.570 -0.089 0.000 2.226 1073 I HA -0.230 3.940 4.170 0.000 0.000 0.245 1073 I C 2.417 178.387 176.117 -0.245 0.000 1.100 1073 I CA 1.956 63.153 61.300 -0.172 0.000 1.374 1073 I CB -0.442 37.474 38.000 -0.140 0.000 1.057 1073 I HN 0.366 nan 8.210 nan 0.000 0.413 1074 D N 0.915 121.119 120.400 -0.327 0.000 2.103 1074 D HA -0.183 4.457 4.640 0.000 0.000 0.190 1074 D C 2.239 178.436 176.300 -0.171 0.000 0.997 1074 D CA 1.992 55.814 54.000 -0.296 0.000 0.833 1074 D CB -0.011 40.567 40.800 -0.371 0.000 0.961 1074 D HN 0.139 nan 8.370 nan 0.000 0.447 1075 S N -0.601 115.022 115.700 -0.127 0.000 2.370 1075 S HA -0.142 4.328 4.470 0.000 0.000 0.226 1075 S C 1.931 176.290 174.600 -0.402 0.000 1.033 1075 S CA 1.109 59.177 58.200 -0.220 0.000 1.011 1075 S CB -0.185 62.711 63.200 -0.507 0.000 0.852 1075 S HN 0.329 nan 8.310 nan 0.000 0.457 1076 M N 0.861 120.221 119.600 -0.399 0.000 2.254 1076 M HA 0.134 4.614 4.480 0.000 0.000 0.265 1076 M C 2.027 178.099 176.300 -0.380 0.000 1.066 1076 M CA 0.917 55.973 55.300 -0.407 0.000 1.123 1076 M CB -1.456 30.944 32.600 -0.333 0.000 1.388 1076 M HN 0.275 nan 8.290 nan 0.000 0.425 1077 L N -0.046 120.992 121.223 -0.309 0.000 2.043 1077 L HA -0.282 4.058 4.340 0.000 0.000 0.212 1077 L C 2.512 179.215 176.870 -0.278 0.000 1.075 1077 L CA 1.546 56.226 54.840 -0.267 0.000 0.752 1077 L CB -0.542 41.388 42.059 -0.215 0.000 0.891 1077 L HN 0.433 nan 8.230 nan 0.000 0.432 1078 Q N -1.015 118.608 119.800 -0.295 0.000 2.172 1078 Q HA -0.243 4.097 4.340 0.000 0.000 0.200 1078 Q C 2.117 177.718 176.000 -0.665 0.000 0.964 1078 Q CA 1.097 56.721 55.803 -0.298 0.000 0.855 1078 Q CB 0.010 28.689 28.738 -0.099 0.000 0.918 1078 Q HN 0.509 nan 8.270 nan 0.000 0.444 1079 Q N 0.895 120.084 119.800 -1.018 0.000 2.046 1079 Q HA -0.153 4.187 4.340 0.000 0.000 0.200 1079 Q C 1.953 177.601 176.000 -0.587 0.000 0.975 1079 Q CA 1.072 56.106 55.803 -1.282 0.000 0.836 1079 Q CB 0.014 28.189 28.738 -0.939 0.000 0.896 1079 Q HN 0.359 nan 8.270 nan 0.000 0.428 1080 I N 0.700 121.012 120.570 -0.431 0.000 2.127 1080 I HA -0.325 3.845 4.170 0.000 0.000 0.241 1080 I C 2.506 178.492 176.117 -0.219 0.000 1.075 1080 I CA 1.448 62.573 61.300 -0.292 0.000 1.334 1080 I CB -0.286 37.542 38.000 -0.287 0.000 1.040 1080 I HN 0.189 nan 8.210 nan 0.000 0.405 1081 K N 0.231 120.503 120.400 -0.214 0.000 2.113 1081 K HA -0.283 4.037 4.320 0.000 0.000 0.208 1081 K C 1.609 178.151 176.600 -0.096 0.000 1.047 1081 K CA 2.216 58.420 56.287 -0.137 0.000 0.928 1081 K CB -0.034 32.393 32.500 -0.122 0.000 0.716 1081 K HN 0.288 nan 8.250 nan 0.000 0.446 1082 D N -0.929 119.405 120.400 -0.110 0.000 2.338 1082 D HA 0.036 4.676 4.640 0.000 0.000 0.224 1082 D C 1.435 177.731 176.300 -0.006 0.000 0.967 1082 D CA 0.865 54.858 54.000 -0.011 0.000 0.896 1082 D CB 0.461 41.337 40.800 0.127 0.000 1.028 1082 D HN -0.038 nan 8.370 nan 0.000 0.493 1083 K N -0.767 119.604 120.400 -0.047 0.000 2.399 1083 K HA 0.184 4.504 4.320 0.000 0.000 0.196 1083 K C -0.230 176.338 176.600 -0.054 0.000 1.103 1083 K CA 0.507 56.779 56.287 -0.026 0.000 0.986 1083 K CB 0.944 33.444 32.500 0.000 0.000 0.952 1083 K HN -0.074 nan 8.250 nan 0.000 0.541 1084 S N 1.138 116.781 115.700 -0.095 0.000 3.748 1084 S HA -0.133 4.337 4.470 0.000 0.000 0.329 1084 S C -0.011 174.535 174.600 -0.089 0.000 1.104 1084 S CA 1.103 59.246 58.200 -0.095 0.000 0.954 1084 S CB -2.054 61.110 63.200 -0.060 0.000 0.910 1084 S HN 0.631 nan 8.310 nan 0.000 0.494 1085 T N -2.456 112.030 114.554 -0.114 0.000 2.888 1085 T HA 0.865 5.215 4.350 0.000 0.000 0.288 1085 T C -0.356 174.249 174.700 -0.157 0.000 1.063 1085 T CA -0.746 61.298 62.100 -0.093 0.000 1.010 1085 T CB 2.277 71.117 68.868 -0.047 0.000 1.214 1085 T HN 0.466 nan 8.240 nan 0.000 0.533 1086 V N 1.067 120.920 119.914 -0.103 0.000 2.888 1086 V HA 0.720 4.840 4.120 0.000 0.000 0.309 1086 V C -0.807 175.297 176.094 0.016 0.000 1.114 1086 V CA -0.978 61.244 62.300 -0.130 0.000 0.940 1086 V CB 1.930 33.590 31.823 -0.271 0.000 1.021 1086 V HN 1.068 nan 8.190 nan 0.000 0.426 1087 N N 1.779 120.495 118.700 0.026 0.000 2.651 1087 N HA 0.269 5.009 4.740 0.000 0.000 0.277 1087 N C 0.326 175.956 175.510 0.201 0.000 1.787 1087 N CA -0.009 53.112 53.050 0.117 0.000 0.818 1087 N CB 1.146 39.696 38.487 0.105 0.000 1.316 1087 N HN 0.326 nan 8.380 nan 0.000 0.503 1088 V N 0.254 120.295 119.914 0.211 0.000 2.261 1088 V HA -0.191 3.929 4.120 0.000 0.000 0.246 1088 V C 2.142 178.465 176.094 0.381 0.000 1.047 1088 V CA 1.495 63.935 62.300 0.232 0.000 1.015 1088 V CB -0.521 31.313 31.823 0.019 0.000 0.642 1088 V HN 0.465 nan 8.190 nan 0.000 0.446 1089 L N 1.263 122.729 121.223 0.406 0.000 2.027 1089 L HA 0.020 4.360 4.340 0.000 0.000 0.206 1089 L C 2.333 179.380 176.870 0.295 0.000 1.074 1089 L CA 2.490 57.576 54.840 0.411 0.000 0.745 1089 L CB -1.355 40.927 42.059 0.371 0.000 0.898 1089 L HN 0.268 nan 8.230 nan 0.000 0.433 1090 G N -1.452 107.503 108.800 0.258 0.000 2.402 1090 G HA2 -0.323 3.637 3.960 0.000 0.000 0.216 1090 G HA3 -0.323 3.637 3.960 0.000 0.000 0.216 1090 G C 1.568 176.622 174.900 0.257 0.000 1.162 1090 G CA 0.762 45.990 45.100 0.213 0.000 0.777 1090 G HN 0.443 nan 8.290 nan 0.000 0.539 1091 F N 0.957 121.009 119.950 0.169 0.000 2.102 1091 F HA -0.023 4.504 4.527 -0.000 0.000 0.298 1091 F C 2.269 178.207 175.800 0.231 0.000 1.105 1091 F CA 1.274 59.392 58.000 0.196 0.000 1.239 1091 F CB -0.338 38.760 39.000 0.164 0.000 0.991 1091 F HN 0.110 nan 8.300 nan 0.000 0.474 1092 L N 1.031 122.369 121.223 0.192 0.000 2.046 1092 L HA -0.185 4.155 4.340 0.000 0.000 0.208 1092 L C 2.238 179.139 176.870 0.051 0.000 1.077 1092 L CA 1.910 56.819 54.840 0.115 0.000 0.747 1092 L CB -1.030 41.228 42.059 0.332 0.000 0.896 1092 L HN 0.096 nan 8.230 nan 0.000 0.432 1093 K N -1.623 118.837 120.400 0.101 0.000 2.097 1093 K HA -0.249 4.071 4.320 0.000 0.000 0.206 1093 K C 2.146 178.774 176.600 0.047 0.000 1.049 1093 K CA 1.445 57.769 56.287 0.062 0.000 0.933 1093 K CB -0.366 32.181 32.500 0.079 0.000 0.717 1093 K HN 0.458 nan 8.250 nan 0.000 0.442 1094 H N 1.724 120.765 119.070 -0.048 0.000 2.290 1094 H HA -0.119 4.437 4.556 0.000 0.000 0.298 1094 H C 1.815 177.089 175.328 -0.091 0.000 1.087 1094 H CA 2.189 58.196 56.048 -0.068 0.000 1.291 1094 H CB -0.204 29.512 29.762 -0.076 0.000 1.369 1094 H HN 0.288 nan 8.280 nan 0.000 0.492 1095 I N -1.631 118.753 120.570 -0.310 0.000 2.676 1095 I HA -0.062 4.108 4.170 0.000 0.000 0.259 1095 I C 1.837 177.872 176.117 -0.137 0.000 1.194 1095 I CA 1.001 62.114 61.300 -0.310 0.000 1.473 1095 I CB -0.292 37.504 38.000 -0.341 0.000 1.096 1095 I HN 0.076 nan 8.210 nan 0.000 0.443 1096 R N 1.462 121.917 120.500 -0.076 0.000 2.285 1096 R HA -0.076 4.264 4.340 0.000 0.000 0.213 1096 R C 2.234 178.578 176.300 0.073 0.000 1.068 1096 R CA 1.683 57.785 56.100 0.003 0.000 1.004 1096 R CB -0.588 29.710 30.300 -0.003 0.000 0.873 1096 R HN 0.656 nan 8.270 nan 0.000 0.467 1097 T N -2.397 112.158 114.554 0.001 0.000 3.035 1097 T HA -0.069 4.281 4.350 0.000 0.000 0.268 1097 T C 1.667 176.510 174.700 0.240 0.000 1.109 1097 T CA 0.757 62.884 62.100 0.046 0.000 1.119 1097 T CB 0.171 69.010 68.868 -0.048 0.000 0.900 1097 T HN 0.265 nan 8.240 nan 0.000 0.503 1098 Q N -0.023 119.862 119.800 0.140 0.000 2.390 1098 Q HA 0.345 4.685 4.340 0.000 0.000 0.216 1098 Q C 0.953 177.012 176.000 0.098 0.000 0.916 1098 Q CA 0.153 56.017 55.803 0.101 0.000 0.911 1098 Q CB 0.678 29.403 28.738 -0.023 0.000 1.035 1098 Q HN 0.401 nan 8.270 nan 0.000 0.541 1099 R N 1.566 122.085 120.500 0.032 0.000 2.566 1099 R HA 0.138 4.478 4.340 0.000 0.000 0.271 1099 R C -1.598 174.549 176.300 -0.254 0.000 1.071 1099 R CA -0.657 55.309 56.100 -0.223 0.000 0.915 1099 R CB 0.908 31.118 30.300 -0.150 0.000 1.228 1099 R HN 0.084 nan 8.270 nan 0.000 0.449 1100 N N 3.247 121.570 118.700 -0.628 0.000 2.454 1100 N HA -0.065 4.675 4.740 0.000 0.000 0.254 1100 N C -0.519 174.823 175.510 -0.279 0.000 1.228 1100 N CA 0.326 53.045 53.050 -0.551 0.000 0.900 1100 N CB 0.030 37.982 38.487 -0.891 0.000 1.089 1100 N HN 0.729 nan 8.380 nan 0.000 0.449 1101 Y N -2.569 117.731 120.300 0.000 0.000 4.409 1101 Y HA -0.230 4.320 4.550 -0.000 0.000 0.228 1101 Y C -0.013 175.916 175.900 0.048 0.000 1.108 1101 Y CA -0.022 58.096 58.100 0.030 0.000 1.955 1101 Y CB -2.377 36.092 38.460 0.016 0.000 1.615 1101 Y HN 0.520 nan 8.280 nan 0.000 0.665 1102 L N 0.290 121.588 121.223 0.125 0.000 2.439 1102 L HA 0.348 4.688 4.340 0.000 0.000 0.269 1102 L C 1.153 178.139 176.870 0.194 0.000 1.179 1102 L CA -0.550 54.367 54.840 0.129 0.000 0.828 1102 L CB 0.448 42.542 42.059 0.058 0.000 1.106 1102 L HN 0.123 nan 8.230 nan 0.000 0.467 1103 V N 1.133 121.209 119.914 0.269 0.000 3.332 1103 V HA -0.064 4.056 4.120 0.000 0.000 0.305 1103 V C 0.790 177.132 176.094 0.414 0.000 1.114 1103 V CA 0.143 62.626 62.300 0.304 0.000 1.194 1103 V CB 0.768 32.787 31.823 0.326 0.000 1.027 1103 V HN 1.015 nan 8.190 nan 0.000 0.492 1104 Q N 1.257 121.242 119.800 0.307 0.000 2.349 1104 Q HA 0.166 4.506 4.340 0.000 0.000 0.209 1104 Q C 0.808 176.998 176.000 0.317 0.000 0.920 1104 Q CA 0.875 56.852 55.803 0.289 0.000 0.901 1104 Q CB 0.394 29.214 28.738 0.137 0.000 1.021 1104 Q HN 1.086 nan 8.270 nan 0.000 0.519 1105 T N -3.335 111.260 114.554 0.069 0.000 2.907 1105 T HA 0.248 4.598 4.350 0.000 0.000 0.292 1105 T C 0.361 174.535 174.700 -0.878 0.000 1.043 1105 T CA -0.742 61.220 62.100 -0.231 0.000 1.003 1105 T CB 1.648 70.452 68.868 -0.107 0.000 1.084 1105 T HN 0.212 nan 8.240 nan 0.000 0.483 1106 E N 0.269 119.820 120.200 -1.082 0.000 2.204 1106 E HA -0.172 4.178 4.350 0.000 0.000 0.195 1106 E C 1.311 177.651 176.600 -0.433 0.000 0.990 1106 E CA 1.209 56.996 56.400 -1.022 0.000 0.821 1106 E CB 0.060 29.470 29.700 -0.484 0.000 0.750 1106 E HN 0.756 nan 8.360 nan 0.000 0.477 1107 E N 0.306 120.335 120.200 -0.285 0.000 2.152 1107 E HA -0.128 4.222 4.350 0.000 0.000 0.192 1107 E C 1.926 178.483 176.600 -0.072 0.000 0.983 1107 E CA 0.827 57.130 56.400 -0.163 0.000 0.818 1107 E CB 0.062 29.694 29.700 -0.114 0.000 0.758 1107 E HN 0.305 nan 8.360 nan 0.000 0.467 1108 Q N -0.960 118.813 119.800 -0.045 0.000 2.083 1108 Q HA -0.143 4.197 4.340 0.000 0.000 0.198 1108 Q C 1.646 177.770 176.000 0.206 0.000 0.969 1108 Q CA 0.979 56.856 55.803 0.124 0.000 0.838 1108 Q CB -0.161 28.662 28.738 0.142 0.000 0.900 1108 Q HN 0.337 nan 8.270 nan 0.000 0.436 1109 Y N 1.148 121.423 120.300 -0.041 0.000 2.114 1109 Y HA -0.266 4.284 4.550 -0.000 0.000 0.282 1109 Y C 1.836 177.812 175.900 0.127 0.000 1.165 1109 Y CA 1.558 59.712 58.100 0.091 0.000 1.148 1109 Y CB -0.123 38.339 38.460 0.003 0.000 0.972 1109 Y HN 0.047 nan 8.280 nan 0.000 0.504 1110 I N -1.354 119.128 120.570 -0.147 0.000 2.315 1110 I HA -0.280 3.890 4.170 0.000 0.000 0.248 1110 I C 2.158 178.190 176.117 -0.142 0.000 1.117 1110 I CA 1.282 62.253 61.300 -0.549 0.000 1.404 1110 I CB -0.466 37.029 38.000 -0.842 0.000 1.071 1110 I HN 0.218 nan 8.210 nan 0.000 0.419 1111 F N 1.568 121.451 119.950 -0.112 0.000 2.186 1111 F HA -0.154 4.373 4.527 0.000 0.000 0.299 1111 F C 2.189 177.998 175.800 0.016 0.000 1.090 1111 F CA 1.413 59.390 58.000 -0.039 0.000 1.307 1111 F CB -0.198 38.771 39.000 -0.052 0.000 1.019 1111 F HN -0.093 nan 8.300 nan 0.000 0.489 1112 I N -0.087 120.472 120.570 -0.018 0.000 2.163 1112 I HA -0.381 3.789 4.170 0.000 0.000 0.243 1112 I C 2.295 178.293 176.117 -0.199 0.000 1.085 1112 I CA 1.876 63.092 61.300 -0.139 0.000 1.347 1112 I CB -0.707 37.247 38.000 -0.077 0.000 1.044 1112 I HN 0.160 nan 8.210 nan 0.000 0.408 1113 H N 0.392 119.407 119.070 -0.092 0.000 2.326 1113 H HA -0.150 4.406 4.556 0.000 0.000 0.301 1113 H C 1.962 177.360 175.328 0.117 0.000 1.081 1113 H CA 1.617 57.725 56.048 0.101 0.000 1.334 1113 H CB -0.295 29.553 29.762 0.143 0.000 1.385 1113 H HN 0.262 nan 8.280 nan 0.000 0.504 1114 D N 0.316 120.790 120.400 0.124 0.000 2.106 1114 D HA -0.179 4.461 4.640 0.000 0.000 0.191 1114 D C 2.297 178.563 176.300 -0.057 0.000 0.997 1114 D CA 1.557 55.600 54.000 0.071 0.000 0.834 1114 D CB -0.567 40.237 40.800 0.007 0.000 0.956 1114 D HN 0.433 nan 8.370 nan 0.000 0.448 1115 A N 0.462 123.096 122.820 -0.309 0.000 1.930 1115 A HA -0.090 4.230 4.320 0.000 0.000 0.217 1115 A C 2.462 179.938 177.584 -0.180 0.000 1.175 1115 A CA 0.855 52.688 52.037 -0.341 0.000 0.627 1115 A CB -0.707 17.884 19.000 -0.682 0.000 0.815 1115 A HN 0.202 nan 8.150 nan 0.000 0.443 1116 L N -1.139 119.985 121.223 -0.166 0.000 2.093 1116 L HA -0.139 4.201 4.340 0.000 0.000 0.208 1116 L C 2.534 179.329 176.870 -0.124 0.000 1.085 1116 L CA 0.963 55.689 54.840 -0.190 0.000 0.755 1116 L CB -0.508 41.374 42.059 -0.295 0.000 0.904 1116 L HN 0.446 nan 8.230 nan 0.000 0.435 1117 L N 0.434 121.705 121.223 0.080 0.000 2.012 1117 L HA -0.246 4.094 4.340 0.000 0.000 0.210 1117 L C 2.440 179.357 176.870 0.078 0.000 1.073 1117 L CA 1.878 56.827 54.840 0.180 0.000 0.748 1117 L CB -0.501 41.741 42.059 0.304 0.000 0.891 1117 L HN 0.231 nan 8.230 nan 0.000 0.431 1118 E N -0.959 119.272 120.200 0.052 0.000 2.209 1118 E HA -0.239 4.111 4.350 0.000 0.000 0.196 1118 E C 1.981 178.595 176.600 0.023 0.000 0.993 1118 E CA 1.192 57.621 56.400 0.048 0.000 0.819 1118 E CB -0.106 29.619 29.700 0.042 0.000 0.745 1118 E HN 0.655 nan 8.360 nan 0.000 0.477 1119 A N 0.303 123.107 122.820 -0.027 0.000 1.878 1119 A HA -0.044 4.276 4.320 0.000 0.000 0.213 1119 A C 2.091 179.638 177.584 -0.062 0.000 1.192 1119 A CA 0.834 52.839 52.037 -0.053 0.000 0.619 1119 A CB -0.411 18.525 19.000 -0.106 0.000 0.837 1119 A HN 0.271 nan 8.150 nan 0.000 0.446 1120 I N -0.127 120.395 120.570 -0.080 0.000 2.264 1120 I HA -0.260 3.910 4.170 0.000 0.000 0.248 1120 I C 2.078 178.177 176.117 -0.029 0.000 1.111 1120 I CA 1.213 62.470 61.300 -0.072 0.000 1.382 1120 I CB -0.168 37.782 38.000 -0.082 0.000 1.060 1120 I HN 0.264 nan 8.210 nan 0.000 0.418 1121 L N -0.544 120.678 121.223 -0.002 0.000 2.416 1121 L HA 0.143 4.483 4.340 0.000 0.000 0.216 1121 L C 2.271 179.130 176.870 -0.018 0.000 1.098 1121 L CA 0.629 55.474 54.840 0.008 0.000 0.840 1121 L CB -0.491 41.593 42.059 0.041 0.000 0.981 1121 L HN 0.236 nan 8.230 nan 0.000 0.462 1122 G N -0.058 108.727 108.800 -0.025 0.000 3.042 1122 G HA2 0.232 4.192 3.960 0.000 0.000 0.212 1122 G HA3 0.232 4.192 3.960 0.000 0.000 0.212 1122 G C 0.934 175.733 174.900 -0.168 0.000 1.166 1122 G CA 0.762 45.805 45.100 -0.095 0.000 0.767 1122 G HN 0.298 nan 8.290 nan 0.000 0.546 1123 K N -0.461 119.883 120.400 -0.093 0.000 1.860 1123 K HA -0.262 4.058 4.320 0.000 0.000 0.320 1123 K C 0.036 176.603 176.600 -0.055 0.000 1.716 1123 K CA 1.584 57.828 56.287 -0.073 0.000 0.609 1123 K CB -1.357 31.096 32.500 -0.077 0.000 0.915 1123 K HN 0.620 nan 8.250 nan 0.000 0.766 1124 E N -0.567 119.614 120.200 -0.032 0.000 2.308 1124 E HA 0.574 4.925 4.350 0.000 0.000 0.275 1124 E C 0.289 176.894 176.600 0.009 0.000 0.890 1124 E CA 0.088 56.481 56.400 -0.011 0.000 0.754 1124 E CB 2.157 31.851 29.700 -0.011 0.000 1.207 1124 E HN 0.862 nan 8.360 nan 0.000 0.426 1125 T N -1.041 113.526 114.554 0.022 0.000 3.016 1125 T HA 0.151 4.501 4.350 0.000 0.000 0.271 1125 T C 0.397 175.084 174.700 -0.022 0.000 0.968 1125 T CA -0.396 61.736 62.100 0.055 0.000 0.891 1125 T CB 0.241 69.210 68.868 0.169 0.000 1.149 1125 T HN 0.345 nan 8.240 nan 0.000 0.524 1126 E N 1.616 121.804 120.200 -0.020 0.000 2.259 1126 E HA 0.460 4.811 4.350 0.000 0.000 0.281 1126 E C -1.311 175.212 176.600 -0.128 0.000 1.037 1126 E CA -0.409 55.970 56.400 -0.035 0.000 0.854 1126 E CB 0.893 30.605 29.700 0.020 0.000 1.051 1126 E HN 0.141 nan 8.360 nan 0.000 0.409 1127 V N 4.215 124.033 119.914 -0.160 0.000 2.638 1127 V HA 0.188 4.308 4.120 0.000 0.000 0.306 1127 V C -0.112 175.923 176.094 -0.099 0.000 1.052 1127 V CA -0.869 61.300 62.300 -0.219 0.000 0.885 1127 V CB 1.862 33.398 31.823 -0.478 0.000 0.999 1127 V HN 0.866 nan 8.190 nan 0.000 0.424 1128 S N 2.455 118.117 115.700 -0.062 0.000 2.593 1128 S HA 0.150 4.620 4.470 0.000 0.000 0.269 1128 S C 1.562 176.155 174.600 -0.012 0.000 1.334 1128 S CA 0.433 58.619 58.200 -0.023 0.000 1.015 1128 S CB 1.337 64.532 63.200 -0.008 0.000 0.912 1128 S HN 0.958 nan 8.310 nan 0.000 0.541 1129 S N 1.983 117.681 115.700 -0.003 0.000 2.359 1129 S HA -0.213 4.257 4.470 0.000 0.000 0.224 1129 S C 1.362 175.984 174.600 0.037 0.000 1.035 1129 S CA 1.871 60.075 58.200 0.007 0.000 1.018 1129 S CB -1.051 62.149 63.200 -0.001 0.000 0.876 1129 S HN 0.802 nan 8.310 nan 0.000 0.448 1130 N N 0.769 119.488 118.700 0.032 0.000 2.521 1130 N HA 0.120 4.860 4.740 0.000 0.000 0.188 1130 N C 1.480 177.023 175.510 0.056 0.000 1.146 1130 N CA 0.463 53.539 53.050 0.044 0.000 0.893 1130 N CB 0.018 38.520 38.487 0.024 0.000 0.975 1130 N HN 0.593 nan 8.380 nan 0.000 0.451 1131 Q N -0.777 119.054 119.800 0.051 0.000 2.281 1131 Q HA 0.179 4.519 4.340 0.000 0.000 0.215 1131 Q C 1.147 177.210 176.000 0.104 0.000 0.867 1131 Q CA -0.144 55.699 55.803 0.067 0.000 0.940 1131 Q CB 0.376 29.134 28.738 0.034 0.000 1.111 1131 Q HN 0.217 nan 8.270 nan 0.000 0.513 1132 L N 0.273 121.550 121.223 0.089 0.000 2.046 1132 L HA -0.183 4.157 4.340 0.000 0.000 0.208 1132 L C 1.778 178.699 176.870 0.086 0.000 1.077 1132 L CA 2.087 56.977 54.840 0.084 0.000 0.747 1132 L CB -0.305 41.767 42.059 0.021 0.000 0.896 1132 L HN 0.215 nan 8.230 nan 0.000 0.432 1133 H N -1.974 117.129 119.070 0.056 0.000 2.352 1133 H HA -0.156 4.400 4.556 0.000 0.000 0.299 1133 H C 2.540 177.881 175.328 0.022 0.000 1.097 1133 H CA 1.994 58.060 56.048 0.030 0.000 1.311 1133 H CB -0.145 29.623 29.762 0.010 0.000 1.377 1133 H HN 0.383 nan 8.280 nan 0.000 0.504 1134 S N -0.864 114.935 115.700 0.165 0.000 2.357 1134 S HA -0.199 4.271 4.470 0.000 0.000 0.221 1134 S C 2.061 176.702 174.600 0.070 0.000 1.031 1134 S CA 0.971 59.227 58.200 0.094 0.000 0.982 1134 S CB -0.518 62.732 63.200 0.083 0.000 0.853 1134 S HN 0.511 nan 8.310 nan 0.000 0.458 1135 Y N 2.210 122.497 120.300 -0.022 0.000 2.114 1135 Y HA -0.163 4.387 4.550 0.000 0.000 0.282 1135 Y C 2.163 177.984 175.900 -0.132 0.000 1.165 1135 Y CA 1.964 60.029 58.100 -0.058 0.000 1.148 1135 Y CB -0.658 37.782 38.460 -0.034 0.000 0.972 1135 Y HN 0.135 nan 8.280 nan 0.000 0.504 1136 V N 0.733 120.592 119.914 -0.091 0.000 2.343 1136 V HA -0.319 3.801 4.120 0.000 0.000 0.247 1136 V C 2.183 178.121 176.094 -0.260 0.000 1.051 1136 V CA 2.027 64.160 62.300 -0.278 0.000 1.036 1136 V CB -0.826 30.896 31.823 -0.168 0.000 0.654 1136 V HN 0.426 nan 8.190 nan 0.000 0.451 1137 N N 0.975 119.592 118.700 -0.138 0.000 2.036 1137 N HA -0.170 4.570 4.740 0.000 0.000 0.195 1137 N C 2.130 177.550 175.510 -0.150 0.000 1.037 1137 N CA 2.147 55.131 53.050 -0.109 0.000 0.855 1137 N CB -0.498 37.963 38.487 -0.044 0.000 1.033 1137 N HN 0.650 nan 8.380 nan 0.000 0.423 1138 S N 0.445 116.037 115.700 -0.180 0.000 2.461 1138 S HA -0.027 4.443 4.470 0.000 0.000 0.228 1138 S C 1.973 176.421 174.600 -0.253 0.000 1.005 1138 S CA 0.528 58.619 58.200 -0.182 0.000 0.942 1138 S CB -0.640 62.477 63.200 -0.139 0.000 0.776 1138 S HN 0.549 nan 8.310 nan 0.000 0.514 1139 I N -1.634 118.692 120.570 -0.407 0.000 3.291 1139 I HA 0.232 4.402 4.170 0.000 0.000 0.279 1139 I C 1.408 177.372 176.117 -0.255 0.000 1.294 1139 I CA 0.756 61.818 61.300 -0.398 0.000 1.428 1139 I CB -0.253 37.365 38.000 -0.637 0.000 1.070 1139 I HN 0.191 nan 8.210 nan 0.000 0.478 1140 L N 2.665 123.758 121.223 -0.216 0.000 2.628 1140 L HA 0.400 4.740 4.340 0.000 0.000 0.229 1140 L C 0.585 177.398 176.870 -0.094 0.000 1.137 1140 L CA -0.034 54.721 54.840 -0.141 0.000 0.909 1140 L CB 0.149 42.127 42.059 -0.134 0.000 1.137 1140 L HN 0.363 nan 8.230 nan 0.000 0.470 1141 I N -1.934 118.579 120.570 -0.095 0.000 2.433 1141 I HA 0.563 4.733 4.170 0.000 0.000 0.292 1141 I C -2.526 173.558 176.117 -0.056 0.000 1.001 1141 I CA -2.001 59.259 61.300 -0.066 0.000 1.119 1141 I CB 1.861 39.822 38.000 -0.063 0.000 1.289 1141 I HN -0.202 nan 8.210 nan 0.000 0.438 1149 R N 0.786 121.250 120.500 -0.060 0.000 2.152 1149 R HA 0.042 4.382 4.340 0.000 0.000 0.232 1149 R C 2.315 178.611 176.300 -0.006 0.000 1.117 1149 R CA 1.246 57.314 56.100 -0.054 0.000 0.981 1149 R CB -1.473 28.759 30.300 -0.113 0.000 0.870 1149 R HN 0.684 nan 8.270 nan 0.000 0.451 1150 L N 1.132 122.342 121.223 -0.020 0.000 2.017 1150 L HA -0.121 4.219 4.340 0.000 0.000 0.208 1150 L C 2.160 179.156 176.870 0.209 0.000 1.073 1150 L CA 1.945 56.848 54.840 0.105 0.000 0.745 1150 L CB -0.413 41.656 42.059 0.016 0.000 0.894 1150 L HN 0.275 nan 8.230 nan 0.000 0.432 1151 E N -0.466 119.809 120.200 0.125 0.000 2.110 1151 E HA -0.244 4.106 4.350 0.000 0.000 0.193 1151 E C 2.276 178.968 176.600 0.153 0.000 0.988 1151 E CA 1.550 58.040 56.400 0.149 0.000 0.804 1151 E CB -0.197 29.557 29.700 0.090 0.000 0.745 1151 E HN 0.619 nan 8.360 nan 0.000 0.458 1152 K N 1.062 121.523 120.400 0.101 0.000 2.103 1152 K HA -0.125 4.195 4.320 0.000 0.000 0.204 1152 K C 1.790 178.442 176.600 0.087 0.000 1.052 1152 K CA 1.207 57.536 56.287 0.071 0.000 0.945 1152 K CB -0.641 31.877 32.500 0.029 0.000 0.722 1152 K HN 0.122 nan 8.250 nan 0.000 0.443 1153 Q N -1.472 118.408 119.800 0.133 0.000 2.084 1153 Q HA -0.061 4.279 4.340 0.000 0.000 0.202 1153 Q C 2.037 178.191 176.000 0.256 0.000 0.978 1153 Q CA 1.597 57.524 55.803 0.206 0.000 0.844 1153 Q CB -0.219 28.761 28.738 0.404 0.000 0.898 1153 Q HN 0.622 nan 8.270 nan 0.000 0.426 1154 F N 1.396 121.324 119.950 -0.035 0.000 2.259 1154 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 1154 F C 2.444 178.194 175.800 -0.084 0.000 1.088 1154 F CA 1.289 59.140 58.000 -0.248 0.000 1.358 1154 F CB -0.247 38.620 39.000 -0.222 0.000 1.040 1154 F HN -0.215 nan 8.300 nan 0.000 0.505 1155 K N 0.586 120.966 120.400 -0.034 0.000 2.097 1155 K HA -0.108 4.212 4.320 0.000 0.000 0.206 1155 K C 2.175 178.733 176.600 -0.070 0.000 1.049 1155 K CA 1.595 57.833 56.287 -0.083 0.000 0.933 1155 K CB -0.930 31.573 32.500 0.005 0.000 0.717 1155 K HN 0.575 nan 8.250 nan 0.000 0.442 1156 L N 0.124 121.371 121.223 0.039 0.000 2.240 1156 L HA -0.004 4.336 4.340 0.000 0.000 0.211 1156 L C 2.428 179.345 176.870 0.078 0.000 1.106 1156 L CA 0.751 55.673 54.840 0.137 0.000 0.793 1156 L CB -0.136 42.114 42.059 0.318 0.000 0.927 1156 L HN 0.100 nan 8.230 nan 0.000 0.446 1157 V N -0.610 119.275 119.914 -0.049 0.000 2.591 1157 V HA -0.170 3.951 4.120 0.000 0.000 0.249 1157 V C 2.277 178.200 176.094 -0.285 0.000 1.053 1157 V CA 2.072 64.225 62.300 -0.245 0.000 1.068 1157 V CB -0.545 31.066 31.823 -0.355 0.000 0.689 1157 V HN 0.619 nan 8.190 nan 0.000 0.462 1158 T N -3.592 110.714 114.554 -0.413 0.000 3.122 1158 T HA 0.087 4.437 4.350 0.000 0.000 0.250 1158 T C 1.425 176.014 174.700 -0.186 0.000 1.067 1158 T CA 0.096 61.979 62.100 -0.361 0.000 0.966 1158 T CB 0.275 68.784 68.868 -0.599 0.000 1.002 1158 T HN 0.402 nan 8.240 nan 0.000 0.542 1159 Q N 0.757 120.483 119.800 -0.123 0.000 2.084 1159 Q HA -0.023 4.318 4.340 0.000 0.000 0.202 1159 Q C 2.016 177.991 176.000 -0.042 0.000 0.978 1159 Q CA 1.123 56.890 55.803 -0.061 0.000 0.844 1159 Q CB -0.800 27.925 28.738 -0.021 0.000 0.898 1159 Q HN 0.909 nan 8.270 nan 0.000 0.426 1169 S N 0.711 116.427 115.700 0.028 0.000 2.356 1169 S HA 0.365 4.835 4.470 0.000 0.000 0.219 1169 S C 2.316 176.908 174.600 -0.014 0.000 1.036 1169 S CA 1.619 59.823 58.200 0.006 0.000 0.965 1169 S CB -0.356 62.850 63.200 0.011 0.000 0.864 1169 S HN 2.158 nan 8.310 nan 0.000 0.471 1170 A N 0.443 123.269 122.820 0.010 0.000 1.930 1170 A HA 0.171 4.491 4.320 0.000 0.000 0.217 1170 A C 2.406 179.857 177.584 -0.223 0.000 1.175 1170 A CA 2.176 54.194 52.037 -0.032 0.000 0.627 1170 A CB -1.380 17.669 19.000 0.082 0.000 0.815 1170 A HN 0.847 nan 8.150 nan 0.000 0.443 1171 Q N -1.302 118.416 119.800 -0.137 0.000 2.522 1171 Q HA 0.044 4.384 4.340 0.000 0.000 0.216 1171 Q C 1.374 177.184 176.000 -0.317 0.000 0.986 1171 Q CA 2.223 57.836 55.803 -0.317 0.000 0.901 1171 Q CB -1.406 27.394 28.738 0.104 0.000 0.954 1171 Q HN 1.015 nan 8.270 nan 0.000 0.502 1172 K N -0.407 119.869 120.400 -0.207 0.000 3.202 1172 K HA 0.628 4.948 4.320 0.000 0.000 0.206 1172 K C 0.023 176.565 176.600 -0.098 0.000 1.142 1172 K CA 0.632 56.853 56.287 -0.109 0.000 0.979 1172 K CB -0.314 32.151 32.500 -0.058 0.000 0.863 1172 K HN 0.996 nan 8.250 nan 0.000 0.479 1173 E N -1.035 119.092 120.200 -0.122 0.000 2.458 1173 E HA 0.541 4.891 4.350 0.000 0.000 0.278 1173 E C 0.289 176.820 176.600 -0.115 0.000 1.004 1173 E CA -0.034 56.268 56.400 -0.164 0.000 0.823 1173 E CB 0.465 nan 29.700 nan 0.000 1.396 1173 E HN 1.027 nan 8.360 nan 0.000 0.463 1174 C N 0.889 120.126 119.300 -0.106 0.000 2.389 1174 C HA 0.528 4.988 4.460 0.000 0.000 0.416 1174 C C 0.202 175.130 174.990 -0.103 0.000 1.304 1174 C CA -0.363 58.608 59.018 -0.079 0.000 1.675 1174 C CB -2.064 25.650 27.740 -0.044 0.000 1.989 1174 C HN 0.515 nan 8.230 nan 0.000 0.591 1175 N N -0.680 117.913 118.700 -0.178 0.000 2.142 1175 N HA 0.105 4.845 4.740 0.000 0.000 0.233 1175 N C 1.378 176.797 175.510 -0.151 0.000 1.335 1175 N CA 0.479 53.381 53.050 -0.247 0.000 0.837 1175 N CB 0.548 38.564 38.487 -0.784 0.000 1.238 1175 N HN 0.714 nan 8.380 nan 0.000 0.501 1176 K N 0.990 121.336 120.400 -0.091 0.000 2.432 1176 K HA 0.099 4.419 4.320 0.000 0.000 0.196 1176 K C 1.466 178.080 176.600 0.024 0.000 1.038 1176 K CA 0.774 57.039 56.287 -0.037 0.000 0.986 1176 K CB -0.357 32.116 32.500 -0.045 0.000 0.782 1176 K HN 0.273 nan 8.250 nan 0.000 0.485 1177 E N -0.205 120.023 120.200 0.047 0.000 2.479 1177 E HA 0.051 4.401 4.350 0.000 0.000 0.193 1177 E C 1.178 177.907 176.600 0.215 0.000 1.049 1177 E CA 0.165 56.629 56.400 0.107 0.000 0.870 1177 E CB 0.379 30.115 29.700 0.059 0.000 0.944 1177 E HN 0.504 nan 8.360 nan 0.000 0.492 1178 K N 0.365 120.865 120.400 0.167 0.000 2.379 1178 K HA 0.100 4.420 4.320 0.000 0.000 0.194 1178 K C 0.089 176.779 176.600 0.150 0.000 1.031 1178 K CA 0.045 56.434 56.287 0.169 0.000 1.037 1178 K CB 0.378 33.047 32.500 0.282 0.000 0.824 1178 K HN -0.025 nan 8.250 nan 0.000 0.516 1179 N N 1.121 119.909 118.700 0.147 0.000 2.421 1179 N HA 0.164 4.904 4.740 0.000 0.000 0.285 1179 N C 0.386 175.950 175.510 0.090 0.000 1.027 1179 N CA -0.116 53.005 53.050 0.120 0.000 0.918 1179 N CB 1.508 40.058 38.487 0.105 0.000 1.152 1179 N HN -0.038 nan 8.380 nan 0.000 0.485 1180 R N 0.755 121.322 120.500 0.112 0.000 2.073 1180 R HA 0.023 4.363 4.340 0.000 0.000 0.229 1180 R C 0.068 176.433 176.300 0.107 0.000 1.120 1180 R CA 0.939 57.141 56.100 0.171 0.000 0.967 1180 R CB 0.094 30.587 30.300 0.322 0.000 0.862 1180 R HN 0.470 nan 8.270 nan 0.000 0.436 1181 N N -0.718 117.978 118.700 -0.007 0.000 2.519 1181 N HA 0.078 4.818 4.740 0.000 0.000 0.291 1181 N C -1.107 174.329 175.510 -0.123 0.000 1.107 1181 N CA -0.127 52.790 53.050 -0.222 0.000 0.904 1181 N CB 2.054 40.074 38.487 -0.778 0.000 1.500 1181 N HN -0.230 nan 8.380 nan 0.000 0.510 1182 S N 1.068 116.719 115.700 -0.082 0.000 2.710 1182 S HA 0.074 4.544 4.470 0.000 0.000 0.224 1182 S C 1.026 175.593 174.600 -0.056 0.000 0.948 1182 S CA -0.129 58.046 58.200 -0.043 0.000 0.949 1182 S CB 0.017 63.199 63.200 -0.029 0.000 0.778 1182 S HN 0.585 nan 8.310 nan 0.000 0.498 1183 S N 0.668 116.311 115.700 -0.094 0.000 2.458 1183 S HA 0.105 4.575 4.470 0.000 0.000 0.223 1183 S C 0.647 175.206 174.600 -0.069 0.000 1.019 1183 S CA 0.150 58.301 58.200 -0.082 0.000 0.937 1183 S CB 0.308 63.445 63.200 -0.105 0.000 0.788 1183 S HN 0.294 nan 8.310 nan 0.000 0.511 1184 V N 3.756 123.622 119.914 -0.081 0.000 2.293 1184 V HA 0.559 4.679 4.120 0.000 0.000 0.275 1184 V C -0.307 175.787 176.094 -0.000 0.000 1.021 1184 V CA -0.551 61.725 62.300 -0.040 0.000 0.815 1184 V CB 0.510 32.315 31.823 -0.029 0.000 1.025 1184 V HN 0.239 nan 8.190 nan 0.000 0.448 1185 V N 3.167 123.089 119.914 0.014 0.000 3.159 1185 V HA 0.780 4.900 4.120 0.000 0.000 0.308 1185 V C -2.825 173.295 176.094 0.043 0.000 1.190 1185 V CA -2.562 59.771 62.300 0.054 0.000 1.037 1185 V CB 2.563 34.435 31.823 0.082 0.000 1.060 1185 V HN 0.495 nan 8.190 nan 0.000 0.437 1186 P HA 0.239 nan 4.420 nan 0.000 0.274 1186 P C 0.111 177.454 177.300 0.072 0.000 1.231 1186 P CA 0.226 63.352 63.100 0.044 0.000 0.790 1186 P CB 1.164 32.874 31.700 0.017 0.000 0.951 1187 S N 0.789 116.533 115.700 0.073 0.000 2.587 1187 S HA -0.009 4.461 4.470 0.000 0.000 0.260 1187 S C 1.361 176.019 174.600 0.097 0.000 1.353 1187 S CA 0.048 58.300 58.200 0.086 0.000 0.995 1187 S CB 0.281 63.548 63.200 0.111 0.000 0.912 1187 S HN 0.409 nan 8.310 nan 0.000 0.568 1188 E N 0.684 120.934 120.200 0.085 0.000 2.077 1188 E HA -0.119 4.231 4.350 0.000 0.000 0.193 1188 E C 2.182 178.840 176.600 0.097 0.000 0.989 1188 E CA 1.318 57.769 56.400 0.084 0.000 0.800 1188 E CB -0.214 29.521 29.700 0.057 0.000 0.746 1188 E HN 0.660 nan 8.360 nan 0.000 0.452 1189 R N -0.617 119.940 120.500 0.096 0.000 2.092 1189 R HA 0.000 4.340 4.340 0.000 0.000 0.231 1189 R C 1.594 178.002 176.300 0.181 0.000 1.119 1189 R CA 1.310 57.473 56.100 0.105 0.000 0.970 1189 R CB -0.122 30.216 30.300 0.063 0.000 0.864 1189 R HN 0.182 nan 8.270 nan 0.000 0.440 1190 A N 0.468 123.415 122.820 0.211 0.000 2.308 1190 A HA 0.085 4.405 4.320 0.000 0.000 0.217 1190 A C 0.797 178.516 177.584 0.225 0.000 1.216 1190 A CA -0.344 51.857 52.037 0.273 0.000 0.864 1190 A CB -0.128 19.000 19.000 0.213 0.000 0.902 1190 A HN 0.152 nan 8.150 nan 0.000 0.499 1191 R N 0.471 121.061 120.500 0.149 0.000 2.538 1191 R HA 0.219 4.559 4.340 0.000 0.000 0.282 1191 R C -0.902 175.406 176.300 0.014 0.000 1.009 1191 R CA 0.106 56.235 56.100 0.048 0.000 1.063 1191 R CB 0.304 30.659 30.300 0.092 0.000 0.945 1191 R HN 0.084 nan 8.270 nan 0.000 0.414 1192 V N 5.151 124.910 119.914 -0.257 0.000 2.387 1192 V HA 0.199 4.319 4.120 0.000 0.000 0.260 1192 V C 0.980 177.036 176.094 -0.062 0.000 1.054 1192 V CA -0.104 61.988 62.300 -0.347 0.000 0.967 1192 V CB 0.871 32.279 31.823 -0.692 0.000 1.036 1192 V HN 0.920 nan 8.190 nan 0.000 0.481 1193 G N 5.215 114.096 108.800 0.136 0.000 2.415 1193 G HA2 0.552 4.512 3.960 0.000 0.000 0.269 1193 G HA3 0.552 4.512 3.960 0.000 0.000 0.269 1193 G C -0.543 174.453 174.900 0.160 0.000 1.209 1193 G CA -0.639 44.539 45.100 0.130 0.000 0.835 1193 G HN 0.622 nan 8.290 nan 0.000 0.534 1194 L N 1.708 123.000 121.223 0.115 0.000 2.292 1194 L HA 0.495 4.835 4.340 0.000 0.000 0.284 1194 L C 0.986 177.921 176.870 0.109 0.000 1.065 1194 L CA -0.741 54.175 54.840 0.127 0.000 0.806 1194 L CB 1.480 43.608 42.059 0.116 0.000 1.175 1194 L HN 0.597 nan 8.230 nan 0.000 0.431 1195 A N 5.293 128.173 122.820 0.099 0.000 2.388 1195 A HA 0.659 4.979 4.320 0.000 0.000 0.257 1195 A C -2.136 175.512 177.584 0.107 0.000 1.095 1195 A CA -0.820 51.266 52.037 0.081 0.000 0.791 1195 A CB -0.266 18.766 19.000 0.054 0.000 1.029 1195 A HN 0.553 nan 8.150 nan 0.000 0.489 1205 Y N 1.048 121.375 120.300 0.045 0.000 2.313 1205 Y HA 0.678 5.228 4.550 0.000 0.000 0.332 1205 Y C -0.332 175.584 175.900 0.027 0.000 1.071 1205 Y CA -0.698 57.421 58.100 0.032 0.000 1.169 1205 Y CB 1.158 39.634 38.460 0.027 0.000 1.192 1205 Y HN 0.575 nan 8.280 nan 0.000 0.487 1206 I N 5.889 126.058 120.570 -0.668 0.000 2.647 1206 I HA 0.325 4.495 4.170 0.000 0.000 0.295 1206 I C -1.057 174.462 176.117 -0.996 0.000 1.078 1206 I CA -0.961 59.959 61.300 -0.635 0.000 1.048 1206 I CB 1.567 39.402 38.000 -0.276 0.000 1.239 1206 I HN 0.632 nan 8.210 nan 0.000 0.421 1207 N N 6.165 124.481 118.700 -0.640 0.000 2.498 1207 N HA 0.446 5.186 4.740 0.000 0.000 0.277 1207 N C -1.156 174.210 175.510 -0.240 0.000 1.208 1207 N CA 0.257 53.096 53.050 -0.351 0.000 1.029 1207 N CB -0.017 38.433 38.487 -0.063 0.000 1.403 1207 N HN 0.675 nan 8.380 nan 0.000 0.500 1208 A N 1.362 124.013 122.820 -0.283 0.000 2.574 1208 A HA 0.677 4.997 4.320 0.000 0.000 0.297 1208 A C -0.970 176.455 177.584 -0.264 0.000 1.062 1208 A CA -0.673 51.216 52.037 -0.246 0.000 0.686 1208 A CB 1.184 20.004 19.000 -0.300 0.000 1.285 1208 A HN 0.324 nan 8.150 nan 0.000 0.403 1209 S N 0.436 116.002 115.700 -0.224 0.000 2.521 1209 S HA 0.635 5.105 4.470 0.000 0.000 0.295 1209 S C -1.179 173.298 174.600 -0.206 0.000 1.098 1209 S CA -0.317 57.775 58.200 -0.180 0.000 0.999 1209 S CB 0.678 63.845 63.200 -0.056 0.000 1.034 1209 S HN 0.469 nan 8.310 nan 0.000 0.483 1210 Y N 2.191 122.487 120.300 -0.007 0.000 2.497 1210 Y HA 0.337 4.887 4.550 -0.000 0.000 0.334 1210 Y C 0.476 176.402 175.900 0.042 0.000 1.199 1210 Y CA -0.221 57.889 58.100 0.017 0.000 1.425 1210 Y CB 0.276 38.752 38.460 0.026 0.000 1.291 1210 Y HN 0.356 nan 8.280 nan 0.000 0.562 1211 I N 3.854 124.573 120.570 0.249 0.000 2.686 1211 I HA 0.286 4.456 4.170 0.000 0.000 0.295 1211 I C -0.278 175.990 176.117 0.252 0.000 1.114 1211 I CA -1.365 60.060 61.300 0.209 0.000 1.038 1211 I CB 1.889 40.003 38.000 0.189 0.000 1.238 1211 I HN 0.610 nan 8.210 nan 0.000 0.420 1212 M N 3.100 122.809 119.600 0.182 0.000 2.255 1212 M HA 0.414 4.894 4.480 0.000 0.000 0.336 1212 M C 0.697 177.146 176.300 0.248 0.000 1.135 1212 M CA -0.023 55.363 55.300 0.144 0.000 1.145 1212 M CB 1.432 34.072 32.600 0.066 0.000 1.473 1212 M HN 0.775 nan 8.290 nan 0.000 0.462 1213 G N 0.009 108.886 108.800 0.128 0.000 2.795 1213 G HA2 0.272 4.232 3.960 0.000 0.000 0.267 1213 G HA3 0.272 4.232 3.960 0.000 0.000 0.267 1213 G C -0.190 174.773 174.900 0.104 0.000 1.362 1213 G CA -0.288 44.919 45.100 0.179 0.000 1.048 1213 G HN 0.765 nan 8.290 nan 0.000 0.547 1214 Y N -0.806 119.472 120.300 -0.037 0.000 2.200 1214 Y HA -0.063 4.487 4.550 -0.000 0.000 0.290 1214 Y C 2.325 178.018 175.900 -0.344 0.000 1.137 1214 Y CA 1.827 59.788 58.100 -0.232 0.000 1.163 1214 Y CB -0.070 38.131 38.460 -0.430 0.000 0.988 1214 Y HN 0.423 nan 8.280 nan 0.000 0.518 1215 Y N -0.812 119.436 120.300 -0.087 0.000 2.476 1215 Y HA 0.262 4.813 4.550 0.000 0.000 0.283 1215 Y C 0.629 176.420 175.900 -0.182 0.000 1.109 1215 Y CA 0.336 58.326 58.100 -0.182 0.000 1.246 1215 Y CB 0.266 38.677 38.460 -0.082 0.000 1.068 1215 Y HN -0.221 nan 8.280 nan 0.000 0.552 1216 R N -0.593 119.903 120.500 -0.007 0.000 2.725 1216 R HA 0.413 4.753 4.340 0.000 0.000 0.277 1216 R C -0.558 175.704 176.300 -0.064 0.000 0.987 1216 R CA -0.609 55.457 56.100 -0.055 0.000 0.901 1216 R CB 1.750 32.016 30.300 -0.057 0.000 1.207 1216 R HN -0.004 nan 8.270 nan 0.000 0.463 1217 S N 0.734 116.392 115.700 -0.069 0.000 2.565 1217 S HA 0.314 4.785 4.470 0.000 0.000 0.276 1217 S C 0.943 175.514 174.600 -0.049 0.000 1.326 1217 S CA 0.177 58.350 58.200 -0.045 0.000 1.045 1217 S CB 1.032 64.200 63.200 -0.052 0.000 0.918 1217 S HN 1.046 nan 8.310 nan 0.000 0.505 1218 N N -0.284 118.416 118.700 0.000 0.000 2.782 1218 N HA -0.249 4.491 4.740 0.000 0.000 0.251 1218 N C 0.675 176.182 175.510 -0.005 0.000 1.101 1218 N CA 1.441 54.509 53.050 0.030 0.000 0.764 1218 N CB -2.588 35.827 38.487 -0.121 0.000 1.122 1218 N HN 0.915 nan 8.380 nan 0.000 0.561 1219 E N -1.471 118.663 120.200 -0.109 0.000 2.077 1219 E HA 0.061 4.411 4.350 0.000 0.000 0.193 1219 E C 0.010 176.321 176.600 -0.483 0.000 0.989 1219 E CA 1.469 57.652 56.400 -0.361 0.000 0.800 1219 E CB -0.020 29.329 29.700 -0.586 0.000 0.746 1219 E HN 0.824 nan 8.360 nan 0.000 0.452 1220 F N -0.371 119.620 119.950 0.070 0.000 2.523 1220 F HA 0.481 5.008 4.527 0.000 0.000 0.329 1220 F C -0.077 175.747 175.800 0.039 0.000 1.061 1220 F CA -0.927 57.100 58.000 0.044 0.000 0.967 1220 F CB 1.158 40.175 39.000 0.027 0.000 1.218 1220 F HN -0.207 nan 8.300 nan 0.000 0.480 1221 I N 3.023 123.699 120.570 0.176 0.000 2.410 1221 I HA 0.336 4.506 4.170 0.000 0.000 0.286 1221 I C -0.775 175.349 176.117 0.013 0.000 1.009 1221 I CA -0.346 60.948 61.300 -0.010 0.000 1.111 1221 I CB 1.312 39.194 38.000 -0.197 0.000 1.262 1221 I HN 0.410 nan 8.210 nan 0.000 0.443 1222 I N 5.816 126.379 120.570 -0.013 0.000 2.352 1222 I HA 0.267 4.437 4.170 0.000 0.000 0.290 1222 I C 0.422 176.514 176.117 -0.040 0.000 1.036 1222 I CA 0.322 61.608 61.300 -0.022 0.000 1.336 1222 I CB 1.437 39.410 38.000 -0.045 0.000 1.407 1222 I HN 0.535 nan 8.210 nan 0.000 0.497 1223 T N 5.072 119.632 114.554 0.010 0.000 2.831 1223 T HA 0.378 4.728 4.350 0.000 0.000 0.287 1223 T C -1.037 173.684 174.700 0.034 0.000 1.070 1223 T CA -0.641 61.457 62.100 -0.004 0.000 1.010 1223 T CB 1.695 70.554 68.868 -0.016 0.000 1.264 1223 T HN 0.669 nan 8.240 nan 0.000 0.532 1224 Q N 1.119 120.902 119.800 -0.028 0.000 2.214 1224 Q HA 0.375 4.715 4.340 0.000 0.000 0.251 1224 Q C -0.304 175.534 176.000 -0.269 0.000 0.936 1224 Q CA -0.837 54.938 55.803 -0.046 0.000 0.894 1224 Q CB 0.512 29.248 28.738 -0.003 0.000 1.252 1224 Q HN 0.684 nan 8.270 nan 0.000 0.448 1225 H N 2.400 121.229 119.070 -0.403 0.000 3.216 1225 H HA 0.031 4.587 4.556 0.000 0.000 0.283 1225 H C -2.104 172.886 175.328 -0.564 0.000 0.921 1225 H CA -0.779 54.870 56.048 -0.666 0.000 1.419 1225 H CB 0.318 29.934 29.762 -0.244 0.000 1.460 1225 H HN 0.481 nan 8.280 nan 0.000 0.553 1226 P HA -0.033 nan 4.420 nan 0.000 0.262 1226 P C 0.026 177.231 177.300 -0.157 0.000 1.182 1226 P CA 0.240 63.042 63.100 -0.497 0.000 0.761 1226 P CB 0.463 31.638 31.700 -0.874 0.000 0.795 1227 L N 6.698 127.757 121.223 -0.274 0.000 2.453 1227 L HA 0.185 4.525 4.340 0.000 0.000 0.261 1227 L C -1.060 175.594 176.870 -0.359 0.000 1.179 1227 L CA -1.718 52.870 54.840 -0.419 0.000 0.813 1227 L CB 0.316 42.029 42.059 -0.577 0.000 1.110 1227 L HN 0.307 nan 8.230 nan 0.000 0.466 1228 P HA -0.191 nan 4.420 nan 0.000 0.217 1228 P C 0.814 178.174 177.300 0.100 0.000 1.148 1228 P CA 1.414 64.492 63.100 -0.036 0.000 0.828 1228 P CB -0.120 31.533 31.700 -0.079 0.000 0.783 1229 H N -3.513 115.546 119.070 -0.017 0.000 2.533 1229 H HA 0.299 4.855 4.556 -0.000 0.000 0.271 1229 H C 0.251 175.603 175.328 0.040 0.000 1.000 1229 H CA 0.627 56.686 56.048 0.019 0.000 1.149 1229 H CB -0.744 29.018 29.762 0.001 0.000 1.375 1229 H HN -0.034 nan 8.280 nan 0.000 0.582 1230 T N 0.040 114.485 114.554 -0.181 0.000 3.111 1230 T HA 0.072 4.422 4.350 0.000 0.000 0.284 1230 T C 1.437 176.134 174.700 -0.006 0.000 0.983 1230 T CA 0.121 62.148 62.100 -0.121 0.000 0.900 1230 T CB 0.436 69.150 68.868 -0.257 0.000 1.132 1230 T HN 0.350 nan 8.240 nan 0.000 0.531 1231 T N 1.407 116.004 114.554 0.072 0.000 2.896 1231 T HA 0.031 4.381 4.350 0.000 0.000 0.263 1231 T C 1.966 176.856 174.700 0.316 0.000 1.050 1231 T CA 0.802 63.005 62.100 0.172 0.000 1.140 1231 T CB 0.056 69.094 68.868 0.282 0.000 0.877 1231 T HN 0.241 nan 8.240 nan 0.000 0.457 1232 K N 0.842 121.395 120.400 0.255 0.000 2.057 1232 K HA -0.149 4.171 4.320 0.000 0.000 0.207 1232 K C 1.687 178.454 176.600 0.279 0.000 1.049 1232 K CA 1.457 57.902 56.287 0.263 0.000 0.931 1232 K CB -0.107 32.482 32.500 0.147 0.000 0.714 1232 K HN 0.215 nan 8.250 nan 0.000 0.440 1233 D N 0.235 120.752 120.400 0.195 0.000 2.117 1233 D HA -0.175 4.465 4.640 0.000 0.000 0.197 1233 D C 1.679 178.067 176.300 0.147 0.000 0.987 1233 D CA 0.861 54.954 54.000 0.156 0.000 0.829 1233 D CB -0.409 40.442 40.800 0.086 0.000 0.961 1233 D HN 0.180 nan 8.370 nan 0.000 0.460 1234 F N 0.216 120.136 119.950 -0.050 0.000 2.065 1234 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 1234 F C 2.083 177.838 175.800 -0.075 0.000 1.112 1234 F CA 1.704 59.590 58.000 -0.191 0.000 1.212 1234 F CB -0.543 38.187 39.000 -0.451 0.000 0.975 1234 F HN -0.020 nan 8.300 nan 0.000 0.476 1235 W N 0.503 121.980 121.300 0.294 0.000 2.425 1235 W HA -0.045 4.615 4.660 0.000 0.000 0.277 1235 W C 2.550 179.254 176.519 0.307 0.000 1.231 1235 W CA 0.738 58.255 57.345 0.287 0.000 1.248 1235 W CB -0.309 29.439 29.460 0.480 0.000 1.117 1235 W HN -0.126 nan 8.180 nan 0.000 0.568 1236 R N -0.161 120.686 120.500 0.578 0.000 2.096 1236 R HA -0.165 4.175 4.340 0.000 0.000 0.235 1236 R C 2.196 178.665 176.300 0.281 0.000 1.127 1236 R CA 1.625 58.014 56.100 0.482 0.000 0.968 1236 R CB -0.583 29.954 30.300 0.396 0.000 0.861 1236 R HN 0.279 nan 8.270 nan 0.000 0.440 1237 M N 0.532 120.209 119.600 0.128 0.000 2.077 1237 M HA -0.171 4.309 4.480 0.000 0.000 0.261 1237 M C 1.638 177.995 176.300 0.095 0.000 1.070 1237 M CA 1.608 56.954 55.300 0.076 0.000 1.125 1237 M CB 0.037 32.518 32.600 -0.199 0.000 1.339 1237 M HN 0.010 nan 8.290 nan 0.000 0.409 1238 I N 0.332 120.852 120.570 -0.083 0.000 2.113 1238 I HA -0.376 3.794 4.170 0.000 0.000 0.242 1238 I C 2.355 178.557 176.117 0.141 0.000 1.064 1238 I CA 1.716 63.024 61.300 0.013 0.000 1.320 1238 I CB -2.052 36.025 38.000 0.127 0.000 1.028 1238 I HN 0.682 nan 8.210 nan 0.000 0.406 1239 W N 2.052 123.270 121.300 -0.137 0.000 2.333 1239 W HA -0.260 4.400 4.660 -0.000 0.000 0.316 1239 W C 2.088 178.531 176.519 -0.128 0.000 1.215 1239 W CA 1.741 58.915 57.345 -0.284 0.000 1.278 1239 W CB -0.223 28.733 29.460 -0.840 0.000 1.154 1239 W HN 0.195 nan 8.180 nan 0.000 0.486 1240 D N -0.767 119.629 120.400 -0.007 0.000 2.178 1240 D HA -0.155 4.485 4.640 0.000 0.000 0.201 1240 D C 1.429 177.511 176.300 -0.363 0.000 0.980 1240 D CA 1.601 55.480 54.000 -0.202 0.000 0.842 1240 D CB -0.594 40.150 40.800 -0.094 0.000 0.948 1240 D HN 0.361 nan 8.370 nan 0.000 0.472 1241 H N 0.068 119.088 119.070 -0.083 0.000 2.551 1241 H HA 0.198 4.754 4.556 0.000 0.000 0.271 1241 H C 0.089 175.375 175.328 -0.070 0.000 0.984 1241 H CA -0.136 55.882 56.048 -0.050 0.000 1.164 1241 H CB -0.017 29.753 29.762 0.013 0.000 1.437 1241 H HN -0.060 nan 8.280 nan 0.000 0.550 1242 N N 0.184 118.858 118.700 -0.043 0.000 2.721 1242 N HA -0.177 4.563 4.740 0.000 0.000 0.249 1242 N C -0.246 175.300 175.510 0.060 0.000 1.072 1242 N CA 0.743 53.776 53.050 -0.028 0.000 0.710 1242 N CB -1.291 37.149 38.487 -0.080 0.000 0.993 1242 N HN 0.493 nan 8.380 nan 0.000 0.547 1243 A N 0.185 123.059 122.820 0.091 0.000 2.450 1243 A HA 0.205 4.525 4.320 0.000 0.000 0.255 1243 A C 1.165 178.829 177.584 0.133 0.000 1.096 1243 A CA 0.138 52.232 52.037 0.096 0.000 0.778 1243 A CB 0.416 19.455 19.000 0.065 0.000 1.031 1243 A HN 0.364 nan 8.150 nan 0.000 0.494 1244 Q N 1.241 121.117 119.800 0.127 0.000 2.217 1244 Q HA 0.347 4.687 4.340 0.000 0.000 0.217 1244 Q C -0.776 175.334 176.000 0.184 0.000 0.844 1244 Q CA 0.393 56.287 55.803 0.151 0.000 0.957 1244 Q CB 0.550 29.354 28.738 0.111 0.000 1.127 1244 Q HN 0.792 nan 8.270 nan 0.000 0.503 1245 I N 1.116 121.798 120.570 0.186 0.000 2.533 1245 I HA 0.401 4.571 4.170 0.000 0.000 0.290 1245 I C -1.005 175.243 176.117 0.218 0.000 1.056 1245 I CA -0.762 60.682 61.300 0.240 0.000 1.057 1245 I CB 2.236 40.367 38.000 0.219 0.000 1.240 1245 I HN -0.069 nan 8.210 nan 0.000 0.423 1246 I N 6.628 127.350 120.570 0.254 0.000 2.410 1246 I HA 0.358 4.528 4.170 0.000 0.000 0.286 1246 I C -0.655 175.488 176.117 0.044 0.000 1.009 1246 I CA -0.863 60.542 61.300 0.176 0.000 1.111 1246 I CB 1.908 40.109 38.000 0.335 0.000 1.262 1246 I HN 0.128 nan 8.210 nan 0.000 0.443 1247 V N 6.866 126.752 119.914 -0.046 0.000 2.350 1247 V HA 0.379 4.499 4.120 0.000 0.000 0.276 1247 V C 0.067 175.943 176.094 -0.364 0.000 1.028 1247 V CA -0.459 61.745 62.300 -0.160 0.000 0.860 1247 V CB 1.396 33.108 31.823 -0.185 0.000 0.990 1247 V HN 0.736 nan 8.190 nan 0.000 0.453 1248 M N 6.726 126.075 119.600 -0.419 0.000 2.149 1248 M HA 0.567 5.047 4.480 0.000 0.000 0.342 1248 M C -1.509 174.689 176.300 -0.169 0.000 1.068 1248 M CA -0.484 54.529 55.300 -0.478 0.000 0.991 1248 M CB 1.062 33.507 32.600 -0.258 0.000 1.596 1248 M HN 0.545 nan 8.290 nan 0.000 0.439 1249 L N 8.372 129.541 121.223 -0.091 0.000 2.335 1249 L HA 0.519 4.859 4.340 0.000 0.000 0.268 1249 L C -2.187 174.757 176.870 0.123 0.000 1.037 1249 L CA -1.651 53.209 54.840 0.033 0.000 0.895 1249 L CB 0.557 42.644 42.059 0.048 0.000 1.266 1249 L HN 0.549 nan 8.230 nan 0.000 0.439 1261 V N 5.449 124.637 119.914 -1.211 0.000 2.432 1261 V HA 0.342 4.462 4.120 0.000 0.000 0.271 1261 V C -0.186 174.822 176.094 -1.810 0.000 1.046 1261 V CA 0.153 61.352 62.300 -1.835 0.000 0.945 1261 V CB 0.595 31.413 31.823 -1.674 0.000 0.992 1261 V HN 0.911 nan 8.190 nan 0.000 0.471 1262 Y N 3.852 123.410 120.300 -1.236 0.000 2.467 1262 Y HA 0.588 5.138 4.550 0.000 0.000 0.250 1262 Y C 0.178 176.021 175.900 -0.096 0.000 1.155 1262 Y CA -1.723 56.041 58.100 -0.560 0.000 1.249 1262 Y CB -0.585 37.711 38.460 -0.275 0.000 1.146 1262 Y HN 0.672 nan 8.280 nan 0.000 0.524 1263 W N 1.615 122.632 121.300 -0.472 0.000 2.578 1263 W HA 0.823 5.483 4.660 -0.000 0.000 0.346 1263 W C -2.835 173.554 176.519 -0.216 0.000 1.075 1263 W CA -3.278 53.876 57.345 -0.319 0.000 1.233 1263 W CB 0.081 29.154 29.460 -0.645 0.000 1.358 1263 W HN -0.279 nan 8.180 nan 0.000 0.574 1264 P HA 0.160 nan 4.420 nan 0.000 0.272 1264 P C -0.324 177.109 177.300 0.223 0.000 1.230 1264 P CA -0.154 62.995 63.100 0.081 0.000 0.788 1264 P CB 1.262 32.985 31.700 0.038 0.000 0.949 1265 S N -0.153 115.604 115.700 0.095 0.000 2.745 1265 S HA 0.604 5.074 4.470 0.000 0.000 0.292 1265 S C 1.587 176.234 174.600 0.078 0.000 1.133 1265 S CA -0.326 57.933 58.200 0.098 0.000 0.998 1265 S CB 0.674 63.893 63.200 0.031 0.000 1.087 1265 S HN 0.520 nan 8.310 nan 0.000 0.551 1266 R N 0.134 120.669 120.500 0.058 0.000 2.096 1266 R HA 0.074 4.414 4.340 0.000 0.000 0.235 1266 R C 2.551 178.859 176.300 0.014 0.000 1.127 1266 R CA 2.337 58.455 56.100 0.029 0.000 0.968 1266 R CB -2.328 27.982 30.300 0.016 0.000 0.861 1266 R HN 0.965 nan 8.270 nan 0.000 0.440 1267 E N -0.030 120.176 120.200 0.010 0.000 2.023 1267 E HA 0.029 4.379 4.350 0.000 0.000 0.196 1267 E C 1.355 177.951 176.600 -0.006 0.000 1.003 1267 E CA 1.460 57.860 56.400 -0.000 0.000 0.809 1267 E CB -0.664 29.034 29.700 -0.003 0.000 0.755 1267 E HN 0.992 nan 8.360 nan 0.000 0.449 1268 E N 0.551 120.747 120.200 -0.007 0.000 2.145 1268 E HA 0.576 4.926 4.350 0.000 0.000 0.262 1268 E C -0.180 176.408 176.600 -0.018 0.000 0.883 1268 E CA -0.050 56.340 56.400 -0.018 0.000 0.748 1268 E CB 0.966 30.651 29.700 -0.025 0.000 1.140 1268 E HN 0.383 nan 8.360 nan 0.000 0.417 1269 S N 1.423 117.108 115.700 -0.026 0.000 2.560 1269 S HA 0.208 4.678 4.470 0.000 0.000 0.276 1269 S C 0.524 175.076 174.600 -0.079 0.000 1.350 1269 S CA -0.014 58.158 58.200 -0.047 0.000 1.024 1269 S CB 0.317 63.484 63.200 -0.056 0.000 0.864 1269 S HN 0.782 nan 8.310 nan 0.000 0.536 1270 M N 2.631 122.154 119.600 -0.129 0.000 2.180 1270 M HA 0.303 4.783 4.480 0.000 0.000 0.350 1270 M C -0.594 175.577 176.300 -0.215 0.000 1.125 1270 M CA -0.529 54.674 55.300 -0.162 0.000 1.031 1270 M CB 0.638 33.109 32.600 -0.215 0.000 1.623 1270 M HN 0.643 nan 8.290 nan 0.000 0.451 1271 N N 4.337 122.923 118.700 -0.190 0.000 2.457 1271 N HA 0.380 5.120 4.740 0.000 0.000 0.250 1271 N C -1.921 173.403 175.510 -0.310 0.000 0.982 1271 N CA -0.482 52.424 53.050 -0.239 0.000 0.941 1271 N CB 0.719 39.111 38.487 -0.158 0.000 1.120 1271 N HN 0.641 nan 8.380 nan 0.000 0.505 1272 C N 2.916 121.875 119.300 -0.568 0.000 2.355 1272 C HA 0.310 4.770 4.460 0.000 0.000 0.332 1272 C C 1.739 176.371 174.990 -0.596 0.000 1.255 1272 C CA -0.640 57.974 59.018 -0.672 0.000 1.792 1272 C CB 0.932 27.934 27.740 -1.230 0.000 2.300 1272 C HN 0.797 nan 8.230 nan 0.000 0.515 1273 E N 1.744 121.753 120.200 -0.317 0.000 2.086 1273 E HA -0.306 4.044 4.350 0.000 0.000 0.205 1273 E C 2.035 178.530 176.600 -0.175 0.000 1.027 1273 E CA 2.023 58.315 56.400 -0.180 0.000 0.830 1273 E CB -0.083 29.574 29.700 -0.072 0.000 0.751 1273 E HN 0.862 nan 8.360 nan 0.000 0.456 1274 A N 0.174 122.897 122.820 -0.163 0.000 2.072 1274 A HA 0.104 4.424 4.320 0.000 0.000 0.216 1274 A C 0.654 178.190 177.584 -0.081 0.000 1.156 1274 A CA 0.596 52.638 52.037 0.007 0.000 0.701 1274 A CB -0.198 18.951 19.000 0.249 0.000 0.816 1274 A HN 0.322 nan 8.150 nan 0.000 0.458 1275 F N -3.023 116.663 119.950 -0.441 0.000 2.711 1275 F HA 0.639 5.166 4.527 -0.000 0.000 0.313 1275 F C -0.528 175.038 175.800 -0.390 0.000 1.141 1275 F CA -0.702 56.931 58.000 -0.611 0.000 0.941 1275 F CB 0.771 38.939 39.000 -1.387 0.000 1.349 1275 F HN -0.073 nan 8.300 nan 0.000 0.464 1276 T N -0.439 113.969 114.554 -0.242 0.000 2.885 1276 T HA 0.780 5.130 4.350 0.000 0.000 0.285 1276 T C -1.106 173.527 174.700 -0.112 0.000 1.019 1276 T CA -0.810 61.146 62.100 -0.240 0.000 1.010 1276 T CB 1.593 70.365 68.868 -0.160 0.000 1.022 1276 T HN 0.717 nan 8.240 nan 0.000 0.466 1277 V N 2.470 122.256 119.914 -0.214 0.000 2.427 1277 V HA 0.639 4.759 4.120 0.000 0.000 0.286 1277 V C 0.088 176.104 176.094 -0.130 0.000 1.034 1277 V CA -0.576 61.563 62.300 -0.269 0.000 0.893 1277 V CB 1.392 32.750 31.823 -0.774 0.000 0.982 1277 V HN 1.159 nan 8.190 nan 0.000 0.452 1278 T N 5.510 120.072 114.554 0.013 0.000 2.928 1278 T HA 0.426 4.776 4.350 0.000 0.000 0.296 1278 T C -0.671 174.145 174.700 0.193 0.000 1.000 1278 T CA -0.414 61.731 62.100 0.075 0.000 0.989 1278 T CB 1.532 70.412 68.868 0.020 0.000 1.005 1278 T HN 0.487 nan 8.240 nan 0.000 0.442 1279 L N 4.853 126.189 121.223 0.188 0.000 2.453 1279 L HA 0.387 4.727 4.340 0.000 0.000 0.272 1279 L C 1.074 177.877 176.870 -0.112 0.000 1.182 1279 L CA 0.412 55.195 54.840 -0.095 0.000 0.858 1279 L CB 0.437 42.474 42.059 -0.036 0.000 1.120 1279 L HN 0.722 nan 8.230 nan 0.000 0.474 1280 I N -0.215 120.237 120.570 -0.196 0.000 4.244 1280 I HA 0.514 4.684 4.170 0.000 0.000 0.318 1280 I C 0.520 176.552 176.117 -0.141 0.000 1.282 1280 I CA 0.582 61.806 61.300 -0.127 0.000 1.276 1280 I CB -0.836 37.108 38.000 -0.094 0.000 1.183 1280 I HN 0.888 nan 8.210 nan 0.000 0.431 1281 S N -0.426 115.150 115.700 -0.206 0.000 2.578 1281 S HA 0.775 5.245 4.470 0.000 0.000 0.272 1281 S C -0.693 173.744 174.600 -0.272 0.000 1.145 1281 S CA 0.068 58.154 58.200 -0.190 0.000 0.835 1281 S CB 1.321 64.430 63.200 -0.151 0.000 1.104 1281 S HN 1.266 nan 8.310 nan 0.000 0.458 1282 K N 0.422 120.663 120.400 -0.266 0.000 2.281 1282 K HA 0.935 5.255 4.320 0.000 0.000 0.242 1282 K C -0.811 175.607 176.600 -0.304 0.000 0.971 1282 K CA -0.350 55.685 56.287 -0.421 0.000 0.834 1282 K CB 1.373 33.627 32.500 -0.410 0.000 1.181 1282 K HN 0.999 nan 8.250 nan 0.000 0.435 1283 D N -1.856 118.348 120.400 -0.326 0.000 2.809 1283 D HA 0.740 5.380 4.640 0.000 0.000 0.336 1283 D C -1.288 174.912 176.300 -0.167 0.000 1.367 1283 D CA 0.632 54.514 54.000 -0.197 0.000 0.815 1283 D CB 1.346 42.050 40.800 -0.161 0.000 1.381 1283 D HN 0.925 nan 8.370 nan 0.000 0.471 1284 R N -0.045 120.397 120.500 -0.096 0.000 2.604 1284 R HA 0.708 5.048 4.340 0.000 0.000 0.270 1284 R C -1.670 174.621 176.300 -0.015 0.000 1.052 1284 R CA -0.587 55.482 56.100 -0.051 0.000 0.902 1284 R CB 0.381 30.660 30.300 -0.035 0.000 1.233 1284 R HN 0.311 nan 8.270 nan 0.000 0.455 1285 L N 0.676 121.910 121.223 0.018 0.000 2.344 1285 L HA 0.814 5.154 4.340 0.000 0.000 0.272 1285 L C 0.051 176.940 176.870 0.032 0.000 1.035 1285 L CA -1.035 53.825 54.840 0.035 0.000 0.807 1285 L CB 2.076 44.177 42.059 0.069 0.000 1.237 1285 L HN 0.879 nan 8.230 nan 0.000 0.442 1286 C N 1.435 120.752 119.300 0.027 0.000 2.399 1286 C HA 0.984 5.444 4.460 0.000 0.000 0.348 1286 C C 0.683 175.692 174.990 0.032 0.000 1.183 1286 C CA -0.595 58.440 59.018 0.028 0.000 2.023 1286 C CB 0.979 28.732 27.740 0.022 0.000 2.361 1286 C HN 0.795 nan 8.230 nan 0.000 0.521 1287 L N 1.412 122.657 121.223 0.036 0.000 2.170 1287 L HA 0.823 5.163 4.340 0.000 0.000 0.247 1287 L C 1.269 178.165 176.870 0.043 0.000 1.078 1287 L CA 0.181 55.046 54.840 0.042 0.000 0.936 1287 L CB -0.049 42.041 42.059 0.051 0.000 1.528 1287 L HN 0.896 nan 8.230 nan 0.000 0.455 1288 S N -0.859 114.871 115.700 0.050 0.000 2.355 1288 S HA -0.124 4.346 4.470 0.000 0.000 0.222 1288 S C 0.949 175.574 174.600 0.042 0.000 1.031 1288 S CA 1.605 59.833 58.200 0.047 0.000 0.993 1288 S CB -0.453 62.780 63.200 0.054 0.000 0.859 1288 S HN 0.796 nan 8.310 nan 0.000 0.453 1289 N N 1.880 120.608 118.700 0.047 0.000 2.575 1289 N HA 0.156 4.896 4.740 0.000 0.000 0.275 1289 N C -0.684 174.849 175.510 0.038 0.000 1.202 1289 N CA 0.109 53.184 53.050 0.041 0.000 0.945 1289 N CB 0.015 38.528 38.487 0.044 0.000 1.247 1289 N HN 0.358 nan 8.380 nan 0.000 0.510 1290 E N -0.190 120.031 120.200 0.035 0.000 2.440 1290 E HA -0.216 4.134 4.350 0.000 0.000 0.246 1290 E C -0.538 176.084 176.600 0.037 0.000 1.165 1290 E CA 0.902 57.321 56.400 0.032 0.000 0.726 1290 E CB -1.390 28.327 29.700 0.028 0.000 1.271 1290 E HN 0.617 nan 8.360 nan 0.000 0.397 1291 E N -0.308 119.918 120.200 0.044 0.000 2.242 1291 E HA 0.490 4.840 4.350 0.000 0.000 0.275 1291 E C 0.503 177.132 176.600 0.047 0.000 1.002 1291 E CA 0.099 56.529 56.400 0.050 0.000 0.841 1291 E CB 0.949 30.687 29.700 0.063 0.000 1.109 1291 E HN 0.331 nan 8.360 nan 0.000 0.394 1292 Q N 2.207 122.036 119.800 0.048 0.000 2.342 1292 Q HA 0.534 4.874 4.340 0.000 0.000 0.267 1292 Q C -0.622 175.409 176.000 0.052 0.000 1.038 1292 Q CA -0.609 55.221 55.803 0.044 0.000 0.832 1292 Q CB 1.156 29.916 28.738 0.037 0.000 1.323 1292 Q HN 0.549 nan 8.270 nan 0.000 0.448 1293 I N 2.720 123.323 120.570 0.054 0.000 2.321 1293 I HA 0.366 4.536 4.170 0.000 0.000 0.291 1293 I C -0.380 175.768 176.117 0.052 0.000 0.998 1293 I CA -0.930 60.414 61.300 0.075 0.000 1.227 1293 I CB 1.455 39.534 38.000 0.132 0.000 1.368 1293 I HN 0.568 nan 8.210 nan 0.000 0.466 1294 I N 7.099 127.695 120.570 0.043 0.000 2.352 1294 I HA 0.254 4.424 4.170 0.000 0.000 0.290 1294 I C 0.171 176.248 176.117 -0.067 0.000 1.036 1294 I CA -0.371 60.923 61.300 -0.010 0.000 1.336 1294 I CB 0.564 38.599 38.000 0.059 0.000 1.407 1294 I HN 0.295 nan 8.210 nan 0.000 0.497 1295 I N 6.961 127.407 120.570 -0.206 0.000 2.354 1295 I HA 0.308 4.478 4.170 0.000 0.000 0.292 1295 I C -0.253 175.602 176.117 -0.437 0.000 0.989 1295 I CA -0.538 60.564 61.300 -0.329 0.000 1.188 1295 I CB 0.840 38.629 38.000 -0.353 0.000 1.342 1295 I HN 0.483 nan 8.210 nan 0.000 0.457 1296 H N 3.333 122.216 119.070 -0.310 0.000 2.529 1296 H HA 0.452 5.008 4.556 0.000 0.000 0.348 1296 H C -0.932 174.068 175.328 -0.547 0.000 1.079 1296 H CA -0.561 55.211 56.048 -0.460 0.000 1.198 1296 H CB 1.677 31.093 29.762 -0.576 0.000 1.521 1296 H HN 0.374 nan 8.280 nan 0.000 0.514 1297 D N 3.081 123.170 120.400 -0.519 0.000 2.256 1297 D HA 0.219 4.859 4.640 0.000 0.000 0.240 1297 D C -0.589 175.362 176.300 -0.582 0.000 1.062 1297 D CA -0.149 53.623 54.000 -0.380 0.000 0.832 1297 D CB 1.158 41.821 40.800 -0.227 0.000 1.135 1297 D HN 0.251 nan 8.370 nan 0.000 0.484 1298 F N 1.620 121.584 119.950 0.023 0.000 2.507 1298 F HA 0.503 5.031 4.527 0.000 0.000 0.327 1298 F C 0.633 176.431 175.800 -0.003 0.000 1.068 1298 F CA -1.206 56.790 58.000 -0.006 0.000 0.965 1298 F CB 1.392 40.373 39.000 -0.033 0.000 1.192 1298 F HN 0.149 nan 8.300 nan 0.000 0.476 1299 I N 0.879 121.536 120.570 0.145 0.000 2.433 1299 I HA 0.617 4.787 4.170 0.000 0.000 0.292 1299 I C -1.599 174.565 176.117 0.079 0.000 1.001 1299 I CA -1.012 60.343 61.300 0.091 0.000 1.119 1299 I CB 1.704 39.724 38.000 0.033 0.000 1.289 1299 I HN 0.230 nan 8.210 nan 0.000 0.438 1300 L N 5.803 127.090 121.223 0.108 0.000 2.265 1300 L HA 0.450 4.790 4.340 0.000 0.000 0.289 1300 L C -0.120 176.808 176.870 0.096 0.000 1.033 1300 L CA 0.072 54.965 54.840 0.088 0.000 0.814 1300 L CB 1.005 43.131 42.059 0.111 0.000 1.203 1300 L HN 0.631 nan 8.230 nan 0.000 0.423 1301 E N 2.152 122.361 120.200 0.015 0.000 2.151 1301 E HA 0.651 5.001 4.350 0.000 0.000 0.275 1301 E C -0.385 176.209 176.600 -0.010 0.000 0.936 1301 E CA -0.890 55.539 56.400 0.050 0.000 0.777 1301 E CB 1.608 31.325 29.700 0.028 0.000 1.108 1301 E HN 0.666 nan 8.360 nan 0.000 0.401 1302 A N 2.043 124.960 122.820 0.161 0.000 2.531 1302 A HA 0.045 4.365 4.320 0.000 0.000 0.236 1302 A C 1.301 178.938 177.584 0.089 0.000 1.062 1302 A CA 0.214 52.356 52.037 0.175 0.000 0.760 1302 A CB 0.061 19.340 19.000 0.466 0.000 0.995 1302 A HN 0.813 nan 8.150 nan 0.000 0.501 1303 T N -0.812 113.766 114.554 0.041 0.000 3.014 1303 T HA 0.032 4.382 4.350 0.000 0.000 0.263 1303 T C 0.841 175.571 174.700 0.050 0.000 1.078 1303 T CA 1.148 63.258 62.100 0.016 0.000 1.135 1303 T CB 0.102 68.948 68.868 -0.035 0.000 0.895 1303 T HN 0.575 nan 8.240 nan 0.000 0.480 1304 Q N 0.950 120.803 119.800 0.089 0.000 2.141 1304 Q HA 0.429 4.769 4.340 0.000 0.000 0.248 1304 Q C -0.982 175.086 176.000 0.112 0.000 0.834 1304 Q CA 0.020 55.875 55.803 0.087 0.000 1.096 1304 Q CB 0.889 29.675 28.738 0.080 0.000 1.189 1304 Q HN 0.665 nan 8.270 nan 0.000 0.471 1305 D N -0.729 119.756 120.400 0.141 0.000 2.713 1305 D HA 0.051 4.691 4.640 0.000 0.000 0.306 1305 D C -0.684 175.720 176.300 0.173 0.000 1.299 1305 D CA -0.325 53.769 54.000 0.157 0.000 0.823 1305 D CB 0.897 41.813 40.800 0.193 0.000 1.353 1305 D HN -0.078 nan 8.370 nan 0.000 0.447 1306 D N -0.503 120.002 120.400 0.175 0.000 2.369 1306 D HA 0.043 4.683 4.640 0.000 0.000 0.211 1306 D C 0.086 176.515 176.300 0.214 0.000 1.077 1306 D CA -0.230 53.865 54.000 0.159 0.000 0.842 1306 D CB -0.578 40.286 40.800 0.107 0.000 0.947 1306 D HN 0.248 nan 8.370 nan 0.000 0.509 1307 Y N 1.219 121.616 120.300 0.161 0.000 2.610 1307 Y HA 0.295 4.845 4.550 0.000 0.000 0.332 1307 Y C -0.327 175.729 175.900 0.260 0.000 1.201 1307 Y CA -0.166 58.039 58.100 0.175 0.000 1.465 1307 Y CB 0.738 39.286 38.460 0.148 0.000 1.283 1307 Y HN -0.214 nan 8.280 nan 0.000 0.563 1308 V N 7.614 127.304 119.914 -0.373 0.000 2.588 1308 V HA 0.353 4.473 4.120 0.000 0.000 0.304 1308 V C -1.156 174.644 176.094 -0.491 0.000 1.042 1308 V CA -1.023 61.148 62.300 -0.216 0.000 0.877 1308 V CB 1.670 33.421 31.823 -0.120 0.000 0.996 1308 V HN 0.609 nan 8.190 nan 0.000 0.425 1309 L N 4.068 125.238 121.223 -0.088 0.000 2.325 1309 L HA 0.584 4.924 4.340 0.000 0.000 0.281 1309 L C -0.060 176.850 176.870 0.067 0.000 1.004 1309 L CA 0.107 54.936 54.840 -0.018 0.000 0.823 1309 L CB 1.581 43.786 42.059 0.243 0.000 1.236 1309 L HN 0.686 nan 8.230 nan 0.000 0.415 1310 E N 4.484 124.704 120.200 0.034 0.000 2.194 1310 E HA 0.425 4.776 4.350 0.000 0.000 0.284 1310 E C -1.164 175.513 176.600 0.129 0.000 1.035 1310 E CA -0.471 55.969 56.400 0.068 0.000 0.836 1310 E CB 1.748 31.462 29.700 0.024 0.000 1.070 1310 E HN 0.388 nan 8.360 nan 0.000 0.401 1311 V N 4.242 124.275 119.914 0.199 0.000 2.407 1311 V HA 0.314 4.434 4.120 0.000 0.000 0.291 1311 V C -0.084 176.181 176.094 0.285 0.000 1.018 1311 V CA -0.791 61.680 62.300 0.285 0.000 0.842 1311 V CB 1.542 33.628 31.823 0.438 0.000 0.996 1311 V HN 0.570 nan 8.190 nan 0.000 0.426 1312 R N 3.254 123.869 120.500 0.193 0.000 2.312 1312 R HA 0.421 4.761 4.340 0.000 0.000 0.311 1312 R C -0.657 175.682 176.300 0.064 0.000 1.004 1312 R CA -0.512 55.617 56.100 0.049 0.000 0.902 1312 R CB 0.763 31.000 30.300 -0.105 0.000 1.073 1312 R HN 0.873 nan 8.270 nan 0.000 0.457 1313 H N 5.419 124.410 119.070 -0.132 0.000 2.511 1313 H HA 0.248 4.804 4.556 0.000 0.000 0.328 1313 H C -1.392 173.720 175.328 -0.361 0.000 1.044 1313 H CA -0.516 55.490 56.048 -0.071 0.000 1.212 1313 H CB 0.607 30.430 29.762 0.103 0.000 1.428 1313 H HN 0.485 nan 8.280 nan 0.000 0.483 1314 F N 3.491 123.226 119.950 -0.359 0.000 2.388 1314 F HA 0.241 4.768 4.527 0.000 0.000 0.358 1314 F C 0.635 176.222 175.800 -0.356 0.000 1.122 1314 F CA -0.655 57.188 58.000 -0.261 0.000 1.056 1314 F CB 1.445 40.327 39.000 -0.197 0.000 1.155 1314 F HN 0.374 nan 8.300 nan 0.000 0.461 1315 Q N 3.354 123.132 119.800 -0.037 0.000 2.377 1315 Q HA 0.365 4.705 4.340 0.000 0.000 0.249 1315 Q C -0.899 175.133 176.000 0.054 0.000 1.005 1315 Q CA -0.457 55.354 55.803 0.015 0.000 0.912 1315 Q CB 0.987 29.785 28.738 0.100 0.000 1.223 1315 Q HN 0.722 nan 8.270 nan 0.000 0.459 1316 C N 4.915 124.232 119.300 0.028 0.000 2.382 1316 C HA 0.527 4.987 4.460 0.000 0.000 0.363 1316 C C -1.451 173.579 174.990 0.067 0.000 1.213 1316 C CA -1.329 57.702 59.018 0.021 0.000 2.363 1316 C CB 0.322 28.025 27.740 -0.062 0.000 2.397 1316 C HN 0.702 nan 8.230 nan 0.000 0.573 1317 P HA 0.224 nan 4.420 nan 0.000 0.282 1317 P C -0.520 176.861 177.300 0.135 0.000 1.286 1317 P CA -0.100 63.060 63.100 0.101 0.000 0.777 1317 P CB 0.289 32.048 31.700 0.099 0.000 1.184 1318 K N -0.783 119.691 120.400 0.122 0.000 2.447 1318 K HA 0.087 4.407 4.320 0.000 0.000 0.281 1318 K C -0.738 175.975 176.600 0.188 0.000 1.031 1318 K CA 0.203 56.563 56.287 0.122 0.000 1.019 1318 K CB -0.837 31.704 32.500 0.068 0.000 0.918 1318 K HN 0.749 nan 8.250 nan 0.000 0.476 1319 W N 3.623 124.903 121.300 -0.032 0.000 3.274 1319 W HA 0.481 5.141 4.660 0.000 0.000 0.327 1319 W C -2.588 173.881 176.519 -0.084 0.000 1.172 1319 W CA -1.929 55.386 57.345 -0.049 0.000 1.217 1319 W CB 1.436 30.866 29.460 -0.049 0.000 1.376 1319 W HN 0.568 nan 8.180 nan 0.000 0.507 1320 P HA 0.066 nan 4.420 nan 0.000 0.269 1320 P C -0.662 176.427 177.300 -0.353 0.000 1.209 1320 P CA -0.031 62.465 63.100 -1.008 0.000 0.776 1320 P CB 0.642 31.793 31.700 -0.916 0.000 0.876 1321 N N 3.336 121.939 118.700 -0.162 0.000 2.399 1321 N HA 0.064 4.804 4.740 0.000 0.000 0.259 1321 N C -1.438 174.049 175.510 -0.039 0.000 1.160 1321 N CA -1.948 51.076 53.050 -0.043 0.000 0.946 1321 N CB 0.272 38.778 38.487 0.032 0.000 1.156 1321 N HN 0.223 nan 8.380 nan 0.000 0.489 1322 P HA -0.019 nan 4.420 nan 0.000 0.230 1322 P C -0.577 176.728 177.300 0.008 0.000 1.158 1322 P CA 0.797 63.885 63.100 -0.020 0.000 0.769 1322 P CB 0.187 31.865 31.700 -0.037 0.000 0.807 1323 D N -1.142 119.264 120.400 0.010 0.000 2.772 1323 D HA 0.451 5.091 4.640 0.000 0.000 0.272 1323 D C 0.002 176.318 176.300 0.026 0.000 1.314 1323 D CA -0.865 53.145 54.000 0.018 0.000 0.835 1323 D CB 0.059 40.868 40.800 0.016 0.000 1.080 1323 D HN 0.043 nan 8.370 nan 0.000 0.482 1324 A N 0.475 123.314 122.820 0.031 0.000 2.350 1324 A HA 0.760 5.080 4.320 0.000 0.000 0.318 1324 A C -2.564 175.045 177.584 0.041 0.000 1.132 1324 A CA -1.786 50.275 52.037 0.040 0.000 0.811 1324 A CB 0.565 19.596 19.000 0.052 0.000 1.313 1324 A HN 0.043 nan 8.150 nan 0.000 0.454 1325 P HA 0.040 nan 4.420 nan 0.000 0.265 1325 P C 0.917 178.247 177.300 0.049 0.000 1.187 1325 P CA 0.007 63.133 63.100 0.043 0.000 0.766 1325 P CB 0.388 32.115 31.700 0.045 0.000 0.820 1326 I N 2.205 122.793 120.570 0.030 0.000 2.423 1326 I HA -0.296 3.874 4.170 0.000 0.000 0.254 1326 I C 1.815 177.964 176.117 0.054 0.000 1.151 1326 I CA 1.942 63.243 61.300 0.002 0.000 1.421 1326 I CB -0.064 37.868 38.000 -0.115 0.000 1.079 1326 I HN 0.392 nan 8.210 nan 0.000 0.431 1327 S N -0.940 114.825 115.700 0.108 0.000 2.474 1327 S HA -0.100 4.370 4.470 0.000 0.000 0.235 1327 S C 1.829 176.592 174.600 0.271 0.000 0.997 1327 S CA 1.209 59.543 58.200 0.225 0.000 0.949 1327 S CB -0.374 62.905 63.200 0.131 0.000 0.766 1327 S HN 0.436 nan 8.310 nan 0.000 0.517 1328 S N 1.390 117.190 115.700 0.167 0.000 2.522 1328 S HA 0.003 4.473 4.470 0.000 0.000 0.227 1328 S C 1.730 176.441 174.600 0.185 0.000 0.986 1328 S CA 0.956 59.254 58.200 0.163 0.000 0.929 1328 S CB -0.676 62.593 63.200 0.116 0.000 0.769 1328 S HN 0.710 nan 8.310 nan 0.000 0.529 1329 T N 1.878 116.501 114.554 0.115 0.000 2.721 1329 T HA -0.145 4.205 4.350 0.000 0.000 0.268 1329 T C 1.049 175.830 174.700 0.136 0.000 1.038 1329 T CA 1.427 63.559 62.100 0.054 0.000 1.145 1329 T CB -0.448 68.266 68.868 -0.256 0.000 0.858 1329 T HN 0.488 nan 8.240 nan 0.000 0.459 1330 F N 0.941 121.034 119.950 0.238 0.000 2.710 1330 F HA 0.192 4.719 4.527 0.000 0.000 0.298 1330 F C 2.224 178.089 175.800 0.108 0.000 1.137 1330 F CA 0.017 58.118 58.000 0.169 0.000 1.444 1330 F CB -0.336 38.721 39.000 0.095 0.000 1.111 1330 F HN 0.237 nan 8.300 nan 0.000 0.580 1331 E N 1.139 121.483 120.200 0.240 0.000 2.038 1331 E HA -0.271 4.079 4.350 0.000 0.000 0.195 1331 E C 2.216 178.843 176.600 0.045 0.000 1.000 1331 E CA 1.603 58.083 56.400 0.134 0.000 0.803 1331 E CB -0.321 29.452 29.700 0.121 0.000 0.750 1331 E HN 0.345 nan 8.360 nan 0.000 0.448 1332 L N 1.087 122.305 121.223 -0.009 0.000 2.083 1332 L HA -0.132 4.208 4.340 0.000 0.000 0.209 1332 L C 2.187 178.895 176.870 -0.270 0.000 1.083 1332 L CA 1.568 56.273 54.840 -0.224 0.000 0.752 1332 L CB -0.415 41.330 42.059 -0.524 0.000 0.899 1332 L HN 0.318 nan 8.230 nan 0.000 0.433 1333 I N -0.056 120.410 120.570 -0.173 0.000 2.163 1333 I HA -0.331 3.839 4.170 0.000 0.000 0.243 1333 I C 2.057 178.161 176.117 -0.022 0.000 1.085 1333 I CA 1.423 62.670 61.300 -0.088 0.000 1.347 1333 I CB -0.546 37.514 38.000 0.100 0.000 1.044 1333 I HN 0.390 nan 8.210 nan 0.000 0.408 1334 N N 0.472 119.194 118.700 0.037 0.000 2.166 1334 N HA -0.125 4.615 4.740 0.000 0.000 0.186 1334 N C 1.877 177.370 175.510 -0.028 0.000 1.019 1334 N CA 1.043 54.110 53.050 0.029 0.000 0.856 1334 N CB -0.568 37.954 38.487 0.058 0.000 0.993 1334 N HN 0.171 nan 8.380 nan 0.000 0.426 1335 V N 1.673 121.544 119.914 -0.072 0.000 2.343 1335 V HA -0.179 3.941 4.120 0.000 0.000 0.247 1335 V C 2.193 178.165 176.094 -0.203 0.000 1.051 1335 V CA 1.093 63.322 62.300 -0.117 0.000 1.036 1335 V CB -0.323 31.417 31.823 -0.138 0.000 0.654 1335 V HN 0.199 nan 8.190 nan 0.000 0.451 1336 I N -0.226 120.179 120.570 -0.276 0.000 2.202 1336 I HA -0.175 3.995 4.170 0.000 0.000 0.242 1336 I C 2.417 178.460 176.117 -0.124 0.000 1.091 1336 I CA 1.444 62.556 61.300 -0.313 0.000 1.368 1336 I CB -1.320 36.483 38.000 -0.329 0.000 1.058 1336 I HN 0.342 nan 8.210 nan 0.000 0.410 1337 K N 0.529 120.900 120.400 -0.048 0.000 2.089 1337 K HA -0.225 4.095 4.320 0.000 0.000 0.210 1337 K C 1.939 178.535 176.600 -0.006 0.000 1.048 1337 K CA 1.447 57.740 56.287 0.009 0.000 0.926 1337 K CB -0.037 32.486 32.500 0.039 0.000 0.714 1337 K HN 0.315 nan 8.250 nan 0.000 0.448 1338 E N 0.479 120.667 120.200 -0.020 0.000 2.107 1338 E HA -0.128 4.222 4.350 0.000 0.000 0.191 1338 E C 1.948 178.550 176.600 0.002 0.000 0.982 1338 E CA 0.782 57.177 56.400 -0.008 0.000 0.809 1338 E CB 0.039 29.736 29.700 -0.005 0.000 0.756 1338 E HN 0.289 nan 8.360 nan 0.000 0.459 1339 E N 0.882 121.084 120.200 0.003 0.000 2.077 1339 E HA -0.114 4.236 4.350 0.000 0.000 0.193 1339 E C 2.033 178.659 176.600 0.043 0.000 0.989 1339 E CA 0.999 57.431 56.400 0.054 0.000 0.800 1339 E CB -0.198 29.565 29.700 0.105 0.000 0.746 1339 E HN 0.178 nan 8.360 nan 0.000 0.452 1340 A N 1.411 124.240 122.820 0.014 0.000 1.978 1340 A HA -0.151 4.169 4.320 0.000 0.000 0.220 1340 A C 2.363 179.940 177.584 -0.011 0.000 1.170 1340 A CA 0.987 53.027 52.037 0.006 0.000 0.636 1340 A CB -0.730 18.265 19.000 -0.007 0.000 0.810 1340 A HN 0.179 nan 8.150 nan 0.000 0.448 1341 L N -0.192 121.020 121.223 -0.017 0.000 2.127 1341 L HA -0.179 4.161 4.340 0.000 0.000 0.211 1341 L C 2.767 179.622 176.870 -0.025 0.000 1.089 1341 L CA 1.874 56.693 54.840 -0.036 0.000 0.757 1341 L CB -0.633 41.406 42.059 -0.033 0.000 0.899 1341 L HN 0.693 nan 8.230 nan 0.000 0.434 1342 T N -3.632 110.921 114.554 -0.003 0.000 3.107 1342 T HA 0.132 4.482 4.350 0.000 0.000 0.249 1342 T C 0.899 175.606 174.700 0.011 0.000 1.096 1342 T CA -0.231 61.871 62.100 0.004 0.000 1.012 1342 T CB 0.178 69.055 68.868 0.014 0.000 0.977 1342 T HN 0.179 nan 8.240 nan 0.000 0.527 1343 R N 0.537 121.046 120.500 0.015 0.000 2.892 1343 R HA 0.634 4.974 4.340 0.000 0.000 0.265 1343 R C -1.102 175.205 176.300 0.012 0.000 1.025 1343 R CA -0.921 55.195 56.100 0.027 0.000 0.982 1343 R CB 1.213 31.547 30.300 0.057 0.000 1.185 1343 R HN 0.200 nan 8.270 nan 0.000 0.484 1344 D N -0.594 119.819 120.400 0.021 0.000 2.449 1344 D HA 0.508 5.148 4.640 0.000 0.000 0.250 1344 D C 0.408 176.719 176.300 0.018 0.000 1.050 1344 D CA 0.166 54.171 54.000 0.009 0.000 1.024 1344 D CB 1.745 42.552 40.800 0.012 0.000 1.218 1344 D HN 0.657 nan 8.370 nan 0.000 0.566 1345 G N 0.672 109.475 108.800 0.005 0.000 2.782 1345 G HA2 -0.130 3.830 3.960 0.000 0.000 0.228 1345 G HA3 -0.130 3.830 3.960 0.000 0.000 0.228 1345 G C -2.671 172.236 174.900 0.011 0.000 1.372 1345 G CA -0.909 44.203 45.100 0.020 0.000 0.862 1345 G HN 0.417 nan 8.290 nan 0.000 0.547 1346 P HA 0.405 nan 4.420 nan 0.000 0.274 1346 P C -0.143 177.175 177.300 0.029 0.000 1.246 1346 P CA 0.032 63.141 63.100 0.015 0.000 0.795 1346 P CB 0.692 32.430 31.700 0.063 0.000 1.006 1347 T N 2.568 117.142 114.554 0.033 0.000 2.733 1347 T HA 0.327 4.677 4.350 0.000 0.000 0.294 1347 T C 0.297 175.093 174.700 0.161 0.000 0.956 1347 T CA -0.294 61.877 62.100 0.119 0.000 0.987 1347 T CB -0.070 68.907 68.868 0.182 0.000 0.920 1347 T HN 0.142 nan 8.240 nan 0.000 0.470 1348 I N 4.525 125.159 120.570 0.106 0.000 2.371 1348 I HA 0.291 4.461 4.170 0.000 0.000 0.290 1348 I C 0.103 176.269 176.117 0.082 0.000 1.028 1348 I CA -0.794 60.552 61.300 0.077 0.000 1.345 1348 I CB 0.548 38.578 38.000 0.051 0.000 1.407 1348 I HN 0.291 nan 8.210 nan 0.000 0.501 1349 V N 7.329 127.279 119.914 0.060 0.000 2.444 1349 V HA 0.440 4.560 4.120 0.000 0.000 0.294 1349 V C -0.554 175.564 176.094 0.040 0.000 1.022 1349 V CA -0.646 61.642 62.300 -0.019 0.000 0.850 1349 V CB 1.580 33.352 31.823 -0.085 0.000 0.992 1349 V HN 0.943 nan 8.190 nan 0.000 0.426 1350 H N 1.724 120.792 119.070 -0.002 0.000 2.851 1350 H HA 0.861 5.417 4.556 0.000 0.000 0.372 1350 H C -0.813 174.525 175.328 0.017 0.000 1.158 1350 H CA -0.886 55.159 56.048 -0.005 0.000 1.159 1350 H CB 2.060 31.803 29.762 -0.032 0.000 1.757 1350 H HN 0.547 nan 8.280 nan 0.000 0.546 1351 D N 1.319 121.850 120.400 0.219 0.000 2.574 1351 D HA 0.116 4.756 4.640 0.000 0.000 0.210 1351 D C 1.041 177.456 176.300 0.192 0.000 1.277 1351 D CA -0.471 53.642 54.000 0.190 0.000 1.121 1351 D CB -0.022 40.834 40.800 0.092 0.000 1.192 1351 D HN 0.650 nan 8.370 nan 0.000 0.602 1352 E N -1.148 119.045 120.200 -0.012 0.000 2.028 1352 E HA -0.084 4.266 4.350 0.000 0.000 0.190 1352 E C 1.550 177.996 176.600 -0.256 0.000 0.984 1352 E CA 0.816 57.073 56.400 -0.239 0.000 0.800 1352 E CB -0.052 29.290 29.700 -0.597 0.000 0.758 1352 E HN 0.479 nan 8.360 nan 0.000 0.448 1353 Y N -1.375 118.946 120.300 0.036 0.000 2.449 1353 Y HA 0.287 4.837 4.550 0.000 0.000 0.254 1353 Y C 1.009 176.907 175.900 -0.003 0.000 1.140 1353 Y CA -0.056 58.048 58.100 0.006 0.000 1.272 1353 Y CB 1.612 40.070 38.460 -0.002 0.000 1.114 1353 Y HN 0.208 nan 8.280 nan 0.000 0.525 1354 G N 0.969 109.845 108.800 0.126 0.000 2.248 1354 G HA2 -0.091 3.869 3.960 0.000 0.000 0.263 1354 G HA3 -0.091 3.869 3.960 0.000 0.000 0.263 1354 G C 0.133 175.048 174.900 0.025 0.000 1.082 1354 G CA 0.110 45.248 45.100 0.064 0.000 0.863 1354 G HN 0.582 nan 8.290 nan 0.000 0.495 1355 A N -1.030 121.816 122.820 0.042 0.000 3.936 1355 A HA 0.874 5.194 4.320 0.000 0.000 0.160 1355 A C 1.856 179.393 177.584 -0.077 0.000 1.286 1355 A CA 1.019 53.053 52.037 -0.004 0.000 1.236 1355 A CB -0.267 18.795 19.000 0.103 0.000 1.604 1355 A HN 1.361 nan 8.150 nan 0.000 0.674 1356 V N 0.638 120.527 119.914 -0.043 0.000 2.392 1356 V HA -0.174 3.946 4.120 0.000 0.000 0.249 1356 V C 2.372 178.468 176.094 0.004 0.000 1.059 1356 V CA 3.266 65.539 62.300 -0.046 0.000 1.051 1356 V CB -0.644 31.209 31.823 0.051 0.000 0.658 1356 V HN 0.743 nan 8.190 nan 0.000 0.455 1357 S N 0.456 116.177 115.700 0.035 0.000 2.357 1357 S HA -0.037 4.433 4.470 0.000 0.000 0.221 1357 S C 2.205 176.895 174.600 0.150 0.000 1.031 1357 S CA 1.248 59.517 58.200 0.114 0.000 0.982 1357 S CB -0.673 62.603 63.200 0.127 0.000 0.853 1357 S HN 0.826 nan 8.310 nan 0.000 0.458 1358 A N 1.904 124.753 122.820 0.048 0.000 1.873 1358 A HA -0.053 4.267 4.320 0.000 0.000 0.218 1358 A C 2.359 179.898 177.584 -0.074 0.000 1.193 1358 A CA 1.992 54.016 52.037 -0.022 0.000 0.629 1358 A CB -1.613 17.372 19.000 -0.026 0.000 0.826 1358 A HN 0.530 nan 8.150 nan 0.000 0.447 1359 G N -1.263 107.462 108.800 -0.125 0.000 2.418 1359 G HA2 -0.194 3.766 3.960 0.000 0.000 0.217 1359 G HA3 -0.194 3.766 3.960 0.000 0.000 0.217 1359 G C 1.517 176.468 174.900 0.084 0.000 1.158 1359 G CA 1.525 46.505 45.100 -0.201 0.000 0.771 1359 G HN 0.441 nan 8.290 nan 0.000 0.545 1360 M N 0.281 120.005 119.600 0.207 0.000 2.159 1360 M HA 0.160 4.640 4.480 0.000 0.000 0.263 1360 M C 2.242 178.739 176.300 0.327 0.000 1.063 1360 M CA 1.066 56.563 55.300 0.327 0.000 1.110 1360 M CB -0.464 32.266 32.600 0.217 0.000 1.374 1360 M HN 0.224 nan 8.290 nan 0.000 0.411 1361 L N -0.943 120.445 121.223 0.274 0.000 2.046 1361 L HA -0.264 4.076 4.340 0.000 0.000 0.208 1361 L C 2.107 178.863 176.870 -0.191 0.000 1.077 1361 L CA 1.629 56.468 54.840 -0.003 0.000 0.747 1361 L CB -0.377 41.507 42.059 -0.291 0.000 0.896 1361 L HN 0.418 nan 8.230 nan 0.000 0.432 1362 C N -0.323 118.765 119.300 -0.354 0.000 2.453 1362 C HA -0.061 4.399 4.460 0.000 0.000 0.277 1362 C C 3.067 177.959 174.990 -0.163 0.000 1.262 1362 C CA 0.604 59.218 59.018 -0.674 0.000 1.718 1362 C CB -1.360 25.975 27.740 -0.675 0.000 2.031 1362 C HN 0.727 nan 8.230 nan 0.000 0.480 1363 A N 0.547 123.395 122.820 0.046 0.000 1.877 1363 A HA -0.103 4.217 4.320 0.000 0.000 0.216 1363 A C 2.143 179.805 177.584 0.130 0.000 1.186 1363 A CA 1.527 53.649 52.037 0.142 0.000 0.620 1363 A CB -0.696 18.447 19.000 0.238 0.000 0.822 1363 A HN 0.610 nan 8.150 nan 0.000 0.443 1364 L N -0.775 120.540 121.223 0.153 0.000 2.093 1364 L HA -0.145 4.195 4.340 0.000 0.000 0.208 1364 L C 2.786 179.812 176.870 0.261 0.000 1.085 1364 L CA 1.659 56.629 54.840 0.216 0.000 0.755 1364 L CB -1.021 41.136 42.059 0.163 0.000 0.904 1364 L HN 0.364 nan 8.230 nan 0.000 0.435 1365 T N -0.845 113.819 114.554 0.183 0.000 2.652 1365 T HA -0.202 4.148 4.350 0.000 0.000 0.267 1365 T C 1.899 176.729 174.700 0.216 0.000 1.039 1365 T CA 2.089 64.317 62.100 0.214 0.000 1.153 1365 T CB -0.349 68.673 68.868 0.257 0.000 0.863 1365 T HN 0.361 nan 8.240 nan 0.000 0.428 1366 T N 2.361 117.052 114.554 0.228 0.000 2.652 1366 T HA 0.009 4.359 4.350 0.000 0.000 0.267 1366 T C 2.013 176.776 174.700 0.104 0.000 1.039 1366 T CA 1.020 63.250 62.100 0.217 0.000 1.153 1366 T CB -0.512 68.497 68.868 0.235 0.000 0.863 1366 T HN 0.227 nan 8.240 nan 0.000 0.428 1367 L N 1.379 122.658 121.223 0.095 0.000 2.141 1367 L HA -0.062 4.278 4.340 0.000 0.000 0.209 1367 L C 2.886 179.739 176.870 -0.030 0.000 1.094 1367 L CA 1.247 56.106 54.840 0.033 0.000 0.763 1367 L CB -0.558 41.524 42.059 0.038 0.000 0.908 1367 L HN 0.373 nan 8.230 nan 0.000 0.437 1368 S N -0.799 114.911 115.700 0.017 0.000 2.406 1368 S HA -0.191 4.280 4.470 0.000 0.000 0.228 1368 S C 1.869 176.379 174.600 -0.150 0.000 1.020 1368 S CA 0.740 58.896 58.200 -0.074 0.000 0.965 1368 S CB -0.164 63.028 63.200 -0.013 0.000 0.798 1368 S HN 0.465 nan 8.310 nan 0.000 0.488 1369 Q N 0.692 120.386 119.800 -0.177 0.000 2.119 1369 Q HA -0.104 4.236 4.340 0.000 0.000 0.201 1369 Q C 2.426 177.889 176.000 -0.895 0.000 0.972 1369 Q CA 1.535 57.093 55.803 -0.408 0.000 0.847 1369 Q CB -0.249 28.298 28.738 -0.318 0.000 0.903 1369 Q HN 0.791 nan 8.270 nan 0.000 0.433 1370 Q N 0.612 119.926 119.800 -0.810 0.000 2.020 1370 Q HA -0.215 4.125 4.340 0.000 0.000 0.202 1370 Q C 2.083 177.906 176.000 -0.295 0.000 0.982 1370 Q CA 1.218 56.647 55.803 -0.623 0.000 0.838 1370 Q CB -0.121 28.537 28.738 -0.135 0.000 0.899 1370 Q HN 0.330 nan 8.270 nan 0.000 0.423 1371 L N 1.310 122.413 121.223 -0.200 0.000 2.012 1371 L HA -0.228 4.112 4.340 0.000 0.000 0.210 1371 L C 2.274 179.063 176.870 -0.136 0.000 1.073 1371 L CA 2.349 57.107 54.840 -0.136 0.000 0.748 1371 L CB -0.687 41.291 42.059 -0.136 0.000 0.891 1371 L HN 0.396 nan 8.230 nan 0.000 0.431 1372 E N -0.814 119.283 120.200 -0.172 0.000 2.038 1372 E HA -0.256 4.095 4.350 0.000 0.000 0.195 1372 E C 1.725 178.259 176.600 -0.110 0.000 1.000 1372 E CA 1.644 57.965 56.400 -0.132 0.000 0.803 1372 E CB -0.064 29.559 29.700 -0.128 0.000 0.750 1372 E HN 0.610 nan 8.360 nan 0.000 0.448 1373 N N -0.064 118.530 118.700 -0.178 0.000 2.376 1373 N HA -0.058 4.682 4.740 0.000 0.000 0.177 1373 N C 0.862 176.379 175.510 0.012 0.000 1.024 1373 N CA 0.907 53.912 53.050 -0.075 0.000 0.893 1373 N CB 0.263 38.696 38.487 -0.089 0.000 0.980 1373 N HN 0.329 nan 8.380 nan 0.000 0.439 1374 E N -0.336 119.859 120.200 -0.008 0.000 2.572 1374 E HA 0.097 4.447 4.350 0.000 0.000 0.220 1374 E C -0.391 176.224 176.600 0.026 0.000 0.945 1374 E CA -0.219 56.218 56.400 0.060 0.000 1.070 1374 E CB 0.331 30.103 29.700 0.119 0.000 1.090 1374 E HN 0.033 nan 8.360 nan 0.000 0.506 1375 N N 0.746 119.438 118.700 -0.013 0.000 2.725 1375 N HA -0.215 4.525 4.740 0.000 0.000 0.249 1375 N C -1.413 174.092 175.510 -0.008 0.000 1.103 1375 N CA 0.893 53.934 53.050 -0.015 0.000 0.707 1375 N CB -0.775 37.711 38.487 -0.001 0.000 1.043 1375 N HN 0.334 nan 8.380 nan 0.000 0.553 1376 A N -1.404 121.409 122.820 -0.010 0.000 2.572 1376 A HA 0.812 5.133 4.320 0.000 0.000 0.295 1376 A C -0.977 176.599 177.584 -0.012 0.000 1.072 1376 A CA -0.337 51.699 52.037 -0.003 0.000 0.691 1376 A CB 2.176 21.192 19.000 0.026 0.000 1.291 1376 A HN 0.265 nan 8.150 nan 0.000 0.404 1377 V N 1.082 120.986 119.914 -0.017 0.000 2.760 1377 V HA 0.571 4.691 4.120 0.000 0.000 0.309 1377 V C -1.529 174.563 176.094 -0.003 0.000 1.077 1377 V CA -0.352 61.938 62.300 -0.017 0.000 0.910 1377 V CB 2.263 34.063 31.823 -0.039 0.000 1.008 1377 V HN 0.955 nan 8.190 nan 0.000 0.424 1378 D N 3.242 123.658 120.400 0.026 0.000 2.443 1378 D HA 0.315 4.955 4.640 0.000 0.000 0.281 1378 D C 0.668 177.006 176.300 0.062 0.000 1.210 1378 D CA -0.142 53.899 54.000 0.068 0.000 0.875 1378 D CB 1.527 42.394 40.800 0.110 0.000 1.125 1378 D HN 0.156 nan 8.370 nan 0.000 0.503 1379 V N 2.233 122.135 119.914 -0.020 0.000 2.295 1379 V HA -0.191 3.929 4.120 0.000 0.000 0.246 1379 V C 2.175 178.291 176.094 0.036 0.000 1.049 1379 V CA 1.513 63.704 62.300 -0.182 0.000 1.024 1379 V CB -0.771 30.568 31.823 -0.806 0.000 0.648 1379 V HN 0.522 nan 8.190 nan 0.000 0.447 1380 F N 1.010 121.033 119.950 0.120 0.000 2.065 1380 F HA -0.305 4.222 4.527 -0.000 0.000 0.298 1380 F C 2.652 178.555 175.800 0.172 0.000 1.112 1380 F CA 2.530 60.697 58.000 0.277 0.000 1.212 1380 F CB -0.457 38.723 39.000 0.300 0.000 0.975 1380 F HN 0.169 nan 8.300 nan 0.000 0.476 1381 Q N 0.069 119.944 119.800 0.126 0.000 2.061 1381 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 1381 Q C 2.111 178.079 176.000 -0.052 0.000 0.984 1381 Q CA 2.562 58.362 55.803 -0.004 0.000 0.846 1381 Q CB -0.394 28.431 28.738 0.146 0.000 0.902 1381 Q HN 0.376 nan 8.270 nan 0.000 0.421 1382 V N 0.932 120.855 119.914 0.016 0.000 2.343 1382 V HA -0.275 3.845 4.120 0.000 0.000 0.247 1382 V C 2.341 178.460 176.094 0.042 0.000 1.051 1382 V CA 1.848 64.172 62.300 0.040 0.000 1.036 1382 V CB -1.042 30.820 31.823 0.064 0.000 0.654 1382 V HN 0.563 nan 8.190 nan 0.000 0.451 1383 A N -0.070 122.752 122.820 0.004 0.000 1.897 1383 A HA -0.209 4.111 4.320 0.000 0.000 0.215 1383 A C 2.246 179.841 177.584 0.018 0.000 1.181 1383 A CA 1.985 54.050 52.037 0.047 0.000 0.620 1383 A CB -0.456 18.546 19.000 0.004 0.000 0.821 1383 A HN 0.497 nan 8.150 nan 0.000 0.443 1384 K N -0.765 119.484 120.400 -0.252 0.000 2.032 1384 K HA -0.143 4.177 4.320 0.000 0.000 0.209 1384 K C 1.999 178.502 176.600 -0.160 0.000 1.048 1384 K CA 1.980 58.070 56.287 -0.328 0.000 0.927 1384 K CB -0.258 31.831 32.500 -0.685 0.000 0.712 1384 K HN 0.324 nan 8.250 nan 0.000 0.441 1385 M N 0.169 119.686 119.600 -0.139 0.000 2.175 1385 M HA -0.086 4.394 4.480 0.000 0.000 0.264 1385 M C 2.217 178.459 176.300 -0.096 0.000 1.063 1385 M CA 1.410 56.613 55.300 -0.162 0.000 1.119 1385 M CB -0.617 31.892 32.600 -0.152 0.000 1.377 1385 M HN 0.208 nan 8.290 nan 0.000 0.415 1386 I N 0.555 121.136 120.570 0.017 0.000 2.179 1386 I HA -0.329 3.841 4.170 0.000 0.000 0.242 1386 I C 2.054 178.172 176.117 0.001 0.000 1.088 1386 I CA 1.158 62.485 61.300 0.045 0.000 1.357 1386 I CB -0.487 37.610 38.000 0.162 0.000 1.051 1386 I HN 0.304 nan 8.210 nan 0.000 0.409 1387 N N 0.566 119.290 118.700 0.040 0.000 2.244 1387 N HA -0.079 4.661 4.740 0.000 0.000 0.183 1387 N C 1.873 177.377 175.510 -0.011 0.000 1.016 1387 N CA 1.059 54.114 53.050 0.008 0.000 0.866 1387 N CB -0.246 38.260 38.487 0.032 0.000 0.980 1387 N HN 0.287 nan 8.380 nan 0.000 0.430 1388 L N -0.035 121.172 121.223 -0.026 0.000 2.093 1388 L HA -0.046 4.294 4.340 0.000 0.000 0.208 1388 L C 1.989 178.889 176.870 0.050 0.000 1.085 1388 L CA 0.967 55.816 54.840 0.014 0.000 0.755 1388 L CB -0.205 41.844 42.059 -0.016 0.000 0.904 1388 L HN 0.181 nan 8.230 nan 0.000 0.435 1389 M N -1.523 118.071 119.600 -0.010 0.000 2.506 1389 M HA -0.015 4.465 4.480 0.000 0.000 0.260 1389 M C 0.759 177.082 176.300 0.038 0.000 1.104 1389 M CA 0.800 56.125 55.300 0.042 0.000 1.112 1389 M CB 0.287 32.892 32.600 0.007 0.000 1.401 1389 M HN 0.040 nan 8.290 nan 0.000 0.473 1390 R N 0.910 121.413 120.500 0.005 0.000 3.107 1390 R HA 0.272 4.612 4.340 0.000 0.000 0.251 1390 R C -2.887 173.397 176.300 -0.028 0.000 1.818 1390 R CA -1.497 54.596 56.100 -0.011 0.000 1.228 1390 R CB 1.213 31.492 30.300 -0.035 0.000 1.459 1390 R HN -0.171 nan 8.270 nan 0.000 0.520 1391 P HA -0.002 nan 4.420 nan 0.000 0.260 1391 P C 0.431 177.710 177.300 -0.035 0.000 1.172 1391 P CA 1.651 64.739 63.100 -0.020 0.000 0.760 1391 P CB 0.730 32.425 31.700 -0.008 0.000 0.773 1392 G N 1.600 110.376 108.800 -0.039 0.000 2.132 1392 G HA2 -0.247 3.713 3.960 0.000 0.000 0.228 1392 G HA3 -0.247 3.713 3.960 0.000 0.000 0.228 1392 G C 0.784 175.648 174.900 -0.062 0.000 1.000 1392 G CA 0.004 45.082 45.100 -0.037 0.000 0.693 1392 G HN 0.386 nan 8.290 nan 0.000 0.515 1393 V N -0.559 119.275 119.914 -0.134 0.000 2.255 1393 V HA 0.232 4.352 4.120 0.000 0.000 0.243 1393 V C 1.220 177.113 176.094 -0.334 0.000 1.038 1393 V CA 1.602 63.714 62.300 -0.313 0.000 1.008 1393 V CB -0.359 31.145 31.823 -0.531 0.000 0.645 1393 V HN 0.294 nan 8.190 nan 0.000 0.449 1394 F N 0.897 120.898 119.950 0.086 0.000 2.385 1394 F HA 0.446 4.973 4.527 -0.000 0.000 0.360 1394 F C 1.018 176.929 175.800 0.184 0.000 1.122 1394 F CA -0.270 57.834 58.000 0.174 0.000 1.090 1394 F CB 1.115 40.266 39.000 0.253 0.000 1.150 1394 F HN 0.065 nan 8.300 nan 0.000 0.472 1395 T N -2.984 111.804 114.554 0.391 0.000 2.964 1395 T HA 0.207 4.557 4.350 0.000 0.000 0.250 1395 T C 0.093 175.055 174.700 0.436 0.000 0.982 1395 T CA -0.043 62.233 62.100 0.293 0.000 0.959 1395 T CB 0.132 69.081 68.868 0.136 0.000 1.141 1395 T HN 0.183 nan 8.240 nan 0.000 0.494 1396 D N 0.747 121.382 120.400 0.392 0.000 2.185 1396 D HA 0.421 5.061 4.640 0.000 0.000 0.247 1396 D C 0.894 177.142 176.300 -0.087 0.000 1.027 1396 D CA -0.729 53.408 54.000 0.229 0.000 0.861 1396 D CB 2.181 43.044 40.800 0.105 0.000 1.202 1396 D HN 0.073 nan 8.370 nan 0.000 0.453 1397 I N 1.427 121.807 120.570 -0.318 0.000 2.567 1397 I HA -0.219 3.951 4.170 0.000 0.000 0.257 1397 I C 1.553 177.468 176.117 -0.336 0.000 1.184 1397 I CA 1.113 61.940 61.300 -0.787 0.000 1.451 1397 I CB 0.398 38.195 38.000 -0.340 0.000 1.089 1397 I HN 0.243 nan 8.210 nan 0.000 0.441 1398 E N 0.470 120.587 120.200 -0.138 0.000 2.150 1398 E HA -0.241 4.109 4.350 0.000 0.000 0.193 1398 E C 2.042 178.641 176.600 -0.001 0.000 0.985 1398 E CA 1.059 57.434 56.400 -0.042 0.000 0.814 1398 E CB -0.338 29.355 29.700 -0.012 0.000 0.752 1398 E HN 0.659 nan 8.360 nan 0.000 0.466 1399 Q N -0.335 119.460 119.800 -0.008 0.000 2.124 1399 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 1399 Q C 1.965 177.994 176.000 0.049 0.000 0.977 1399 Q CA 1.386 57.220 55.803 0.052 0.000 0.850 1399 Q CB -0.291 28.552 28.738 0.175 0.000 0.901 1399 Q HN 0.276 nan 8.270 nan 0.000 0.429 1400 Y N 1.321 121.490 120.300 -0.218 0.000 2.184 1400 Y HA -0.200 4.350 4.550 0.000 0.000 0.290 1400 Y C 2.377 178.248 175.900 -0.048 0.000 1.129 1400 Y CA 1.666 59.619 58.100 -0.246 0.000 1.144 1400 Y CB -0.145 38.044 38.460 -0.452 0.000 0.995 1400 Y HN 0.059 nan 8.280 nan 0.000 0.513 1401 Q N -0.922 118.865 119.800 -0.023 0.000 2.096 1401 Q HA -0.261 4.079 4.340 0.000 0.000 0.204 1401 Q C 2.200 178.220 176.000 0.033 0.000 0.982 1401 Q CA 1.990 57.805 55.803 0.020 0.000 0.850 1401 Q CB -0.544 28.200 28.738 0.011 0.000 0.901 1401 Q HN 0.547 nan 8.270 nan 0.000 0.422 1402 F N 0.649 120.543 119.950 -0.094 0.000 2.202 1402 F HA -0.189 4.338 4.527 -0.000 0.000 0.301 1402 F C 1.648 177.373 175.800 -0.125 0.000 1.082 1402 F CA 1.143 59.083 58.000 -0.099 0.000 1.313 1402 F CB 0.019 38.953 39.000 -0.111 0.000 1.024 1402 F HN 0.075 nan 8.300 nan 0.000 0.495 1403 I N -1.261 119.290 120.570 -0.031 0.000 2.179 1403 I HA -0.346 3.824 4.170 0.000 0.000 0.242 1403 I C 2.025 177.975 176.117 -0.277 0.000 1.088 1403 I CA 1.467 62.654 61.300 -0.187 0.000 1.357 1403 I CB -0.842 36.949 38.000 -0.348 0.000 1.051 1403 I HN 0.094 nan 8.210 nan 0.000 0.409 1404 Y N 1.342 121.491 120.300 -0.250 0.000 2.070 1404 Y HA -0.263 4.287 4.550 -0.000 0.000 0.280 1404 Y C 2.685 178.457 175.900 -0.214 0.000 1.148 1404 Y CA 1.233 59.207 58.100 -0.209 0.000 1.125 1404 Y CB -0.252 38.080 38.460 -0.214 0.000 0.975 1404 Y HN -0.032 nan 8.280 nan 0.000 0.492 1405 K N 0.097 120.440 120.400 -0.094 0.000 2.103 1405 K HA -0.178 4.142 4.320 0.000 0.000 0.207 1405 K C 2.206 178.645 176.600 -0.267 0.000 1.048 1405 K CA 1.287 57.451 56.287 -0.205 0.000 0.930 1405 K CB -0.950 31.387 32.500 -0.272 0.000 0.716 1405 K HN 0.371 nan 8.250 nan 0.000 0.444 1406 A N 0.917 123.508 122.820 -0.383 0.000 1.872 1406 A HA -0.106 4.214 4.320 0.000 0.000 0.214 1406 A C 2.169 179.810 177.584 0.096 0.000 1.187 1406 A CA 1.364 53.260 52.037 -0.234 0.000 0.614 1406 A CB -0.272 18.505 19.000 -0.371 0.000 0.826 1406 A HN 0.097 nan 8.150 nan 0.000 0.442 1407 M N -0.318 119.307 119.600 0.041 0.000 2.117 1407 M HA -0.019 4.461 4.480 0.000 0.000 0.262 1407 M C 2.133 178.387 176.300 -0.077 0.000 1.065 1407 M CA 0.991 56.294 55.300 0.005 0.000 1.114 1407 M CB -1.518 31.060 32.600 -0.037 0.000 1.361 1407 M HN 0.400 nan 8.290 nan 0.000 0.408 1408 L N 0.357 121.519 121.223 -0.102 0.000 2.081 1408 L HA -0.263 4.077 4.340 0.000 0.000 0.212 1408 L C 2.421 179.219 176.870 -0.120 0.000 1.080 1408 L CA 1.809 56.530 54.840 -0.199 0.000 0.754 1408 L CB -0.566 41.315 42.059 -0.297 0.000 0.893 1408 L HN 0.449 nan 8.230 nan 0.000 0.433 1409 S N -1.054 114.608 115.700 -0.062 0.000 2.547 1409 S HA -0.066 4.404 4.470 0.000 0.000 0.235 1409 S C 1.572 176.153 174.600 -0.032 0.000 0.980 1409 S CA 0.517 58.712 58.200 -0.009 0.000 0.941 1409 S CB -0.243 62.971 63.200 0.023 0.000 0.763 1409 S HN 0.462 nan 8.310 nan 0.000 0.532 1410 L N 0.414 121.572 121.223 -0.108 0.000 2.590 1410 L HA 0.247 4.587 4.340 0.000 0.000 0.227 1410 L C 1.939 178.750 176.870 -0.099 0.000 1.099 1410 L CA 0.065 54.800 54.840 -0.175 0.000 0.872 1410 L CB -0.032 41.798 42.059 -0.382 0.000 1.088 1410 L HN 0.214 nan 8.230 nan 0.000 0.479 1411 V N -0.111 119.780 119.914 -0.038 0.000 2.515 1411 V HA -0.172 3.948 4.120 0.000 0.000 0.250 1411 V C 1.647 177.759 176.094 0.030 0.000 1.058 1411 V CA 0.881 63.187 62.300 0.011 0.000 1.064 1411 V CB -0.719 31.150 31.823 0.076 0.000 0.675 1411 V HN 0.704 nan 8.190 nan 0.000 0.461 1412 S N 0.000 115.724 115.700 0.041 0.000 2.498 1412 S HA 0.000 4.470 4.470 0.000 0.000 0.327 1412 S CA 0.000 58.210 58.200 0.017 0.000 1.107 1412 S CB 0.000 63.201 63.200 0.002 0.000 0.593 1412 S HN 0.000 nan 8.310 nan 0.000 0.517