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 3obr_1_A DATA FIRST_RESID 859 DATA SEQUENCE SAMASINDSK ILSLQNKKNA LVDTSGYNAE VRVGDNVQLN TIYTNDFKLS DATA SEQUENCE SSGDKIIVNL NNNILYSAIY ENSSVSFWIK ISKDLTNSHN EYTIINSIEQ DATA SEQUENCE NSGWKLCIRN GNIEWILQDV NRKYKSLIFD YSESLSHTGY TNKWFFVTIT DATA SEQUENCE NNIMGYMKLY INGELKQSQK IEDLDEVKLD KTIVFGIDEN IDENQMLWIR DATA SEQUENCE DFNIFSKELS NEDINIVYEG QILRNVIKDY WGNPLKFDTE YYIINDNYID DATA SEQUENCE RYIAPESNVL VLVQYPDRSK LYTGNPITIK SVSDKNPYSR ILNGDNIILH DATA SEQUENCE MLYNSRKYMI IRDTDTIYAT QXXEcSQNcV YALKLQSNLG NYGIGIFSIK DATA SEQUENCE NIVSKNKYCS QIFSSFRENT MLLADIYKPW RFSFKNAYTP VAVTNYETKL DATA SEQUENCE LSTSSFWKFI SRDPGWVEPP 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 859 S HA 0.000 nan 4.470 nan 0.000 0.327 859 S C 0.000 174.599 174.600 -0.001 0.000 1.055 859 S CA 0.000 58.201 58.200 0.001 0.000 1.107 859 S CB 0.000 63.201 63.200 0.002 0.000 0.593 860 A N 1.764 124.579 122.820 -0.009 0.000 1.908 860 A HA -0.062 4.256 4.320 -0.002 0.000 0.218 860 A C 2.118 179.694 177.584 -0.014 0.000 1.181 860 A CA 2.344 54.370 52.037 -0.019 0.000 0.627 860 A CB -0.978 18.004 19.000 -0.030 0.000 0.818 860 A HN 1.183 nan 8.150 nan 0.000 0.445 861 M N 0.202 119.798 119.600 -0.006 0.000 2.117 861 M HA -0.048 4.431 4.480 -0.002 0.000 0.262 861 M C 2.155 178.471 176.300 0.025 0.000 1.065 861 M CA 1.809 57.112 55.300 0.005 0.000 1.114 861 M CB -0.679 31.925 32.600 0.006 0.000 1.361 861 M HN 0.384 nan 8.290 nan 0.000 0.408 862 A N -1.302 121.532 122.820 0.024 0.000 1.877 862 A HA -0.180 4.139 4.320 -0.002 0.000 0.216 862 A C 2.342 179.953 177.584 0.045 0.000 1.186 862 A CA 2.292 54.350 52.037 0.036 0.000 0.620 862 A CB -1.546 17.471 19.000 0.028 0.000 0.822 862 A HN 0.592 nan 8.150 nan 0.000 0.443 863 S N -0.392 115.326 115.700 0.030 0.000 2.374 863 S HA -0.190 4.279 4.470 -0.002 0.000 0.227 863 S C 1.875 176.504 174.600 0.048 0.000 1.037 863 S CA 1.715 59.934 58.200 0.032 0.000 1.024 863 S CB -0.626 62.579 63.200 0.008 0.000 0.861 863 S HN 0.473 nan 8.310 nan 0.000 0.456 864 I N 1.640 122.231 120.570 0.036 0.000 2.090 864 I HA -0.195 3.974 4.170 -0.002 0.000 0.236 864 I C 2.346 178.583 176.117 0.201 0.000 1.064 864 I CA 1.376 62.709 61.300 0.055 0.000 1.324 864 I CB -0.630 37.365 38.000 -0.008 0.000 1.044 864 I HN 0.281 nan 8.210 nan 0.000 0.399 865 N N 0.885 119.687 118.700 0.169 0.000 2.205 865 N HA -0.185 4.554 4.740 -0.002 0.000 0.186 865 N C 1.370 176.974 175.510 0.157 0.000 1.015 865 N CA 1.348 54.507 53.050 0.182 0.000 0.862 865 N CB -0.539 38.019 38.487 0.119 0.000 0.986 865 N HN 0.337 nan 8.380 nan 0.000 0.429 866 D N -0.294 120.184 120.400 0.131 0.000 2.263 866 D HA -0.069 4.569 4.640 -0.002 0.000 0.208 866 D C 1.669 178.059 176.300 0.151 0.000 0.971 866 D CA 0.762 54.836 54.000 0.123 0.000 0.867 866 D CB -0.235 40.621 40.800 0.094 0.000 0.929 866 D HN 0.336 nan 8.370 nan 0.000 0.492 867 S N -0.643 115.164 115.700 0.178 0.000 2.593 867 S HA 0.047 4.516 4.470 -0.002 0.000 0.217 867 S C 0.784 175.476 174.600 0.154 0.000 0.966 867 S CA -0.318 57.991 58.200 0.182 0.000 0.914 867 S CB -0.011 63.307 63.200 0.197 0.000 0.776 867 S HN -0.018 nan 8.310 nan 0.000 0.523 868 K N 1.820 122.283 120.400 0.106 0.000 2.436 868 K HA 0.185 4.503 4.320 -0.002 0.000 0.282 868 K C 0.713 177.279 176.600 -0.056 0.000 1.044 868 K CA 0.197 56.406 56.287 -0.131 0.000 1.028 868 K CB 0.366 32.786 32.500 -0.133 0.000 0.919 868 K HN 0.570 nan 8.250 nan 0.000 0.474 869 I N 0.657 121.109 120.570 -0.198 0.000 4.154 869 I HA 0.244 4.412 4.170 -0.002 0.000 0.334 869 I C -0.554 175.459 176.117 -0.173 0.000 1.371 869 I CA -0.425 60.649 61.300 -0.376 0.000 1.110 869 I CB 0.498 38.179 38.000 -0.533 0.000 1.085 869 I HN 0.243 nan 8.210 nan 0.000 0.398 870 L N 0.475 121.652 121.223 -0.078 0.000 2.565 870 L HA 0.650 4.989 4.340 -0.002 0.000 0.261 870 L C -1.474 175.415 176.870 0.032 0.000 0.932 870 L CA -0.254 54.618 54.840 0.055 0.000 0.878 870 L CB 2.283 44.431 42.059 0.149 0.000 1.333 870 L HN 0.026 nan 8.230 nan 0.000 0.409 871 S N 5.339 121.097 115.700 0.097 0.000 2.721 871 S HA 0.590 5.059 4.470 -0.002 0.000 0.264 871 S C -1.159 173.531 174.600 0.151 0.000 1.161 871 S CA -0.522 57.735 58.200 0.095 0.000 1.113 871 S CB 0.365 63.590 63.200 0.041 0.000 1.079 871 S HN 0.637 nan 8.310 nan 0.000 0.479 872 L N 5.044 126.403 121.223 0.227 0.000 2.342 872 L HA 0.442 4.781 4.340 -0.002 0.000 0.285 872 L C 0.329 177.303 176.870 0.173 0.000 1.095 872 L CA 0.034 54.987 54.840 0.189 0.000 0.843 872 L CB 0.493 42.675 42.059 0.205 0.000 1.201 872 L HN 0.584 nan 8.230 nan 0.000 0.445 873 Q N 2.408 122.279 119.800 0.119 0.000 2.423 873 Q HA 0.313 4.652 4.340 -0.002 0.000 0.278 873 Q C -0.809 175.240 176.000 0.081 0.000 1.097 873 Q CA -0.950 54.916 55.803 0.106 0.000 0.809 873 Q CB 2.886 31.675 28.738 0.086 0.000 1.391 873 Q HN 0.423 nan 8.270 nan 0.000 0.428 874 N N 2.325 121.073 118.700 0.081 0.000 2.408 874 N HA 0.103 4.842 4.740 -0.002 0.000 0.257 874 N C -1.342 174.196 175.510 0.047 0.000 1.064 874 N CA 0.170 53.258 53.050 0.063 0.000 0.952 874 N CB 0.531 39.061 38.487 0.073 0.000 1.093 874 N HN 0.305 nan 8.380 nan 0.000 0.490 875 K N 2.954 123.376 120.400 0.037 0.000 2.426 875 K HA 0.208 4.527 4.320 -0.002 0.000 0.254 875 K C -0.084 176.530 176.600 0.023 0.000 0.936 875 K CA -0.541 55.764 56.287 0.029 0.000 0.801 875 K CB 1.495 34.013 32.500 0.029 0.000 1.139 875 K HN 0.490 nan 8.250 nan 0.000 0.424 876 K N 2.432 122.845 120.400 0.020 0.000 3.156 876 K HA -0.250 4.069 4.320 -0.002 0.000 0.266 876 K C -0.508 176.103 176.600 0.017 0.000 0.966 876 K CA 0.519 56.816 56.287 0.017 0.000 0.719 876 K CB -1.136 31.372 32.500 0.014 0.000 1.333 876 K HN 0.803 nan 8.250 nan 0.000 0.468 877 N N -3.026 115.687 118.700 0.021 0.000 2.741 877 N HA -0.224 4.515 4.740 -0.002 0.000 0.251 877 N C -0.359 175.163 175.510 0.020 0.000 1.112 877 N CA 1.580 54.644 53.050 0.023 0.000 0.750 877 N CB -0.980 37.518 38.487 0.019 0.000 1.119 877 N HN 0.659 nan 8.380 nan 0.000 0.561 878 A N -0.129 122.702 122.820 0.018 0.000 2.435 878 A HA 0.732 5.051 4.320 -0.002 0.000 0.304 878 A C -0.436 177.155 177.584 0.012 0.000 1.064 878 A CA -0.674 51.369 52.037 0.009 0.000 0.727 878 A CB 1.597 20.599 19.000 0.004 0.000 1.284 878 A HN 0.132 nan 8.150 nan 0.000 0.415 879 L N 2.882 124.101 121.223 -0.007 0.000 2.278 879 L HA 0.624 4.962 4.340 -0.002 0.000 0.287 879 L C -0.109 176.749 176.870 -0.020 0.000 1.072 879 L CA 0.223 55.054 54.840 -0.014 0.000 0.819 879 L CB 0.960 42.975 42.059 -0.073 0.000 1.176 879 L HN 0.910 nan 8.230 nan 0.000 0.435 880 V N 1.044 120.966 119.914 0.012 0.000 3.181 880 V HA 0.612 4.731 4.120 -0.002 0.000 0.308 880 V C -0.971 175.154 176.094 0.051 0.000 1.214 880 V CA -1.021 61.292 62.300 0.023 0.000 1.053 880 V CB 1.904 33.742 31.823 0.026 0.000 1.069 880 V HN 0.640 nan 8.190 nan 0.000 0.441 881 D N 1.673 122.111 120.400 0.062 0.000 2.316 881 D HA 0.420 5.059 4.640 -0.002 0.000 0.245 881 D C 1.033 177.384 176.300 0.085 0.000 1.171 881 D CA 0.623 54.678 54.000 0.092 0.000 0.856 881 D CB 1.539 42.406 40.800 0.110 0.000 1.090 881 D HN 0.999 nan 8.370 nan 0.000 0.476 882 T N -0.461 114.145 114.554 0.087 0.000 3.134 882 T HA 0.032 4.381 4.350 -0.002 0.000 0.260 882 T C 1.546 176.296 174.700 0.083 0.000 1.027 882 T CA 0.251 62.394 62.100 0.072 0.000 0.913 882 T CB -0.256 68.649 68.868 0.062 0.000 1.046 882 T HN 0.229 nan 8.240 nan 0.000 0.553 883 S N 0.904 116.676 115.700 0.120 0.000 2.447 883 S HA 0.297 4.765 4.470 -0.002 0.000 0.233 883 S C 2.134 176.831 174.600 0.162 0.000 1.006 883 S CA 0.823 59.126 58.200 0.171 0.000 0.957 883 S CB -0.784 62.568 63.200 0.253 0.000 0.773 883 S HN 1.293 nan 8.310 nan 0.000 0.507 884 G N -0.201 108.653 108.800 0.089 0.000 2.218 884 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.216 884 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.216 884 G C 0.413 175.239 174.900 -0.123 0.000 0.994 884 G CA 0.197 45.265 45.100 -0.054 0.000 0.637 884 G HN 0.553 nan 8.290 nan 0.000 0.505 885 Y N 0.714 121.041 120.300 0.045 0.000 2.466 885 Y HA 0.304 4.853 4.550 -0.002 0.000 0.272 885 Y C 1.417 177.349 175.900 0.052 0.000 1.169 885 Y CA 0.556 58.687 58.100 0.053 0.000 1.285 885 Y CB 0.058 38.556 38.460 0.064 0.000 1.078 885 Y HN 0.420 nan 8.280 nan 0.000 0.523 886 N N -0.766 118.028 118.700 0.157 0.000 2.780 886 N HA -0.178 4.561 4.740 -0.002 0.000 0.248 886 N C -0.223 175.351 175.510 0.107 0.000 1.102 886 N CA 0.017 53.128 53.050 0.102 0.000 0.697 886 N CB -0.983 37.546 38.487 0.069 0.000 1.028 886 N HN 0.316 nan 8.380 nan 0.000 0.554 887 A N 0.603 123.499 122.820 0.126 0.000 2.483 887 A HA 0.141 4.460 4.320 -0.002 0.000 0.238 887 A C 0.664 178.291 177.584 0.072 0.000 1.070 887 A CA 0.150 52.251 52.037 0.105 0.000 0.770 887 A CB 0.375 19.447 19.000 0.121 0.000 1.008 887 A HN 0.391 nan 8.150 nan 0.000 0.497 888 E N 1.470 121.704 120.200 0.056 0.000 2.259 888 E HA 0.432 4.781 4.350 -0.002 0.000 0.281 888 E C -1.330 175.284 176.600 0.023 0.000 1.037 888 E CA -0.300 56.120 56.400 0.033 0.000 0.854 888 E CB 0.670 30.384 29.700 0.024 0.000 1.051 888 E HN 0.347 nan 8.360 nan 0.000 0.409 889 V N 6.385 126.301 119.914 0.005 0.000 2.376 889 V HA 0.352 4.470 4.120 -0.002 0.000 0.287 889 V C -0.238 175.830 176.094 -0.044 0.000 1.015 889 V CA -0.672 61.613 62.300 -0.025 0.000 0.834 889 V CB 1.397 33.197 31.823 -0.039 0.000 1.001 889 V HN 0.659 nan 8.190 nan 0.000 0.428 890 R N 3.622 124.090 120.500 -0.052 0.000 2.239 890 R HA 0.598 4.936 4.340 -0.002 0.000 0.332 890 R C -1.060 175.190 176.300 -0.084 0.000 0.988 890 R CA -0.499 55.569 56.100 -0.053 0.000 0.859 890 R CB 1.935 32.214 30.300 -0.036 0.000 1.148 890 R HN 0.514 nan 8.270 nan 0.000 0.482 891 V N 2.731 122.590 119.914 -0.091 0.000 2.407 891 V HA 0.284 4.403 4.120 -0.002 0.000 0.278 891 V C 1.064 177.111 176.094 -0.078 0.000 1.037 891 V CA -0.730 61.498 62.300 -0.120 0.000 0.900 891 V CB 1.508 33.256 31.823 -0.124 0.000 0.983 891 V HN 0.903 nan 8.190 nan 0.000 0.459 892 G N 2.754 111.509 108.800 -0.076 0.000 2.484 892 G HA2 0.041 3.999 3.960 -0.002 0.000 0.235 892 G HA3 0.041 3.999 3.960 -0.002 0.000 0.235 892 G C 0.569 175.447 174.900 -0.037 0.000 1.282 892 G CA -0.272 44.799 45.100 -0.048 0.000 0.857 892 G HN 0.794 nan 8.290 nan 0.000 0.571 893 D N 0.991 121.375 120.400 -0.027 0.000 2.218 893 D HA -0.105 4.534 4.640 -0.002 0.000 0.204 893 D C 1.780 178.070 176.300 -0.016 0.000 0.976 893 D CA 1.182 55.170 54.000 -0.020 0.000 0.853 893 D CB 0.147 40.938 40.800 -0.015 0.000 0.939 893 D HN 0.610 nan 8.370 nan 0.000 0.481 894 N N -0.407 118.282 118.700 -0.017 0.000 2.280 894 N HA 0.050 4.788 4.740 -0.002 0.000 0.192 894 N C -0.291 175.212 175.510 -0.012 0.000 1.109 894 N CA -0.198 52.844 53.050 -0.013 0.000 0.855 894 N CB 1.213 39.690 38.487 -0.017 0.000 0.974 894 N HN -0.126 nan 8.380 nan 0.000 0.482 895 V N 2.271 122.176 119.914 -0.014 0.000 2.470 895 V HA 0.023 4.141 4.120 -0.002 0.000 0.276 895 V C 0.264 176.372 176.094 0.023 0.000 1.040 895 V CA -0.030 62.269 62.300 -0.002 0.000 1.008 895 V CB 0.848 32.657 31.823 -0.023 0.000 0.990 895 V HN 0.238 nan 8.190 nan 0.000 0.477 896 Q N 5.020 124.845 119.800 0.042 0.000 2.279 896 Q HA 0.512 4.850 4.340 -0.002 0.000 0.256 896 Q C -0.804 175.274 176.000 0.129 0.000 0.937 896 Q CA -0.226 55.619 55.803 0.071 0.000 0.933 896 Q CB 1.488 30.270 28.738 0.072 0.000 1.189 896 Q HN 0.604 nan 8.270 nan 0.000 0.417 897 L N 2.336 123.631 121.223 0.119 0.000 2.334 897 L HA 0.332 4.670 4.340 -0.002 0.000 0.272 897 L C 0.447 177.405 176.870 0.148 0.000 1.020 897 L CA -0.862 54.073 54.840 0.157 0.000 0.812 897 L CB 0.996 43.118 42.059 0.106 0.000 1.264 897 L HN 0.756 nan 8.230 nan 0.000 0.439 898 N N 0.653 119.457 118.700 0.173 0.000 2.727 898 N HA -0.184 4.555 4.740 -0.002 0.000 0.251 898 N C 0.648 176.223 175.510 0.108 0.000 1.040 898 N CA 0.949 54.075 53.050 0.127 0.000 0.712 898 N CB -0.528 38.010 38.487 0.085 0.000 0.912 898 N HN 0.944 nan 8.380 nan 0.000 0.545 899 T N -3.385 111.264 114.554 0.159 0.000 3.023 899 T HA 0.320 4.668 4.350 -0.002 0.000 0.249 899 T C 1.729 176.471 174.700 0.071 0.000 1.050 899 T CA 0.832 63.012 62.100 0.135 0.000 1.088 899 T CB 0.165 69.165 68.868 0.219 0.000 0.946 899 T HN 0.316 nan 8.240 nan 0.000 0.480 900 I N -2.140 118.467 120.570 0.061 0.000 3.739 900 I HA 0.379 4.548 4.170 -0.002 0.000 0.272 900 I C -0.265 175.622 176.117 -0.383 0.000 1.167 900 I CA -0.434 60.790 61.300 -0.127 0.000 1.386 900 I CB 0.750 38.728 38.000 -0.036 0.000 1.490 900 I HN 0.056 nan 8.210 nan 0.000 0.452 901 Y N 0.560 120.767 120.300 -0.156 0.000 2.524 901 Y HA 0.268 4.817 4.550 -0.002 0.000 0.344 901 Y C 1.527 177.365 175.900 -0.103 0.000 1.012 901 Y CA -0.554 57.410 58.100 -0.227 0.000 1.068 901 Y CB 1.502 39.690 38.460 -0.454 0.000 1.249 901 Y HN -0.184 nan 8.280 nan 0.000 0.468 902 T N 0.208 114.809 114.554 0.077 0.000 2.653 902 T HA -0.189 4.159 4.350 -0.002 0.000 0.268 902 T C 0.830 175.586 174.700 0.095 0.000 1.035 902 T CA 1.796 63.933 62.100 0.061 0.000 1.154 902 T CB -0.190 68.701 68.868 0.039 0.000 0.862 902 T HN 0.523 nan 8.240 nan 0.000 0.441 903 N N 2.214 120.974 118.700 0.099 0.000 2.376 903 N HA 0.114 4.853 4.740 -0.002 0.000 0.249 903 N C -0.548 175.086 175.510 0.207 0.000 1.140 903 N CA -0.068 53.069 53.050 0.145 0.000 0.870 903 N CB 0.108 38.674 38.487 0.132 0.000 1.124 903 N HN 0.650 nan 8.380 nan 0.000 0.505 904 D N 0.399 120.925 120.400 0.210 0.000 2.332 904 D HA 0.432 5.071 4.640 -0.002 0.000 0.252 904 D C -0.137 176.374 176.300 0.351 0.000 1.050 904 D CA -0.538 53.608 54.000 0.243 0.000 0.970 904 D CB 0.661 41.664 40.800 0.339 0.000 1.141 904 D HN 0.079 nan 8.370 nan 0.000 0.485 905 F N -2.787 117.304 119.950 0.236 0.000 2.631 905 F HA 0.563 5.088 4.527 -0.002 0.000 0.308 905 F C -0.819 175.045 175.800 0.106 0.000 1.097 905 F CA -1.320 56.752 58.000 0.121 0.000 0.952 905 F CB 1.704 40.696 39.000 -0.014 0.000 1.307 905 F HN 0.380 nan 8.300 nan 0.000 0.450 906 K N 3.182 123.680 120.400 0.163 0.000 2.323 906 K HA 0.669 4.988 4.320 -0.002 0.000 0.259 906 K C -1.871 174.655 176.600 -0.124 0.000 0.947 906 K CA -0.616 55.546 56.287 -0.208 0.000 0.819 906 K CB 1.414 33.697 32.500 -0.361 0.000 1.109 906 K HN 0.920 nan 8.250 nan 0.000 0.429 907 L N 4.777 125.889 121.223 -0.185 0.000 2.272 907 L HA 0.266 4.604 4.340 -0.002 0.000 0.284 907 L C 0.449 177.192 176.870 -0.211 0.000 1.045 907 L CA -0.286 54.494 54.840 -0.100 0.000 0.842 907 L CB 1.301 43.358 42.059 -0.003 0.000 1.224 907 L HN 0.923 nan 8.230 nan 0.000 0.430 908 S N -1.120 114.474 115.700 -0.177 0.000 2.658 908 S HA 0.186 4.655 4.470 -0.002 0.000 0.277 908 S C 0.549 175.077 174.600 -0.120 0.000 1.078 908 S CA -0.351 57.729 58.200 -0.201 0.000 1.124 908 S CB 0.663 63.712 63.200 -0.250 0.000 1.016 908 S HN 0.369 nan 8.310 nan 0.000 0.543 909 S N 2.186 117.837 115.700 -0.083 0.000 2.593 909 S HA 0.658 5.127 4.470 -0.002 0.000 0.297 909 S C -0.204 174.373 174.600 -0.039 0.000 1.112 909 S CA -0.483 57.686 58.200 -0.053 0.000 1.043 909 S CB 1.615 64.791 63.200 -0.040 0.000 1.054 909 S HN 0.409 nan 8.310 nan 0.000 0.516 910 S N 1.445 117.129 115.700 -0.027 0.000 2.546 910 S HA 0.390 4.858 4.470 -0.002 0.000 0.290 910 S C 1.371 175.963 174.600 -0.013 0.000 1.290 910 S CA 0.637 58.828 58.200 -0.015 0.000 1.069 910 S CB 0.157 63.352 63.200 -0.008 0.000 0.846 910 S HN 1.251 nan 8.310 nan 0.000 0.495 911 G N 2.909 111.704 108.800 -0.008 0.000 2.179 911 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.260 911 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.260 911 G C -0.345 174.548 174.900 -0.013 0.000 0.977 911 G CA -0.150 44.944 45.100 -0.010 0.000 0.641 911 G HN 0.672 nan 8.290 nan 0.000 0.533 912 D N 1.125 121.516 120.400 -0.015 0.000 2.493 912 D HA 0.466 5.104 4.640 -0.002 0.000 0.240 912 D C 0.660 176.957 176.300 -0.004 0.000 1.142 912 D CA 0.930 54.921 54.000 -0.015 0.000 0.872 912 D CB 0.603 41.392 40.800 -0.019 0.000 1.173 912 D HN 0.441 nan 8.370 nan 0.000 0.467 913 K N 1.735 122.125 120.400 -0.017 0.000 2.546 913 K HA 0.525 4.843 4.320 -0.002 0.000 0.264 913 K C -0.858 175.708 176.600 -0.056 0.000 0.937 913 K CA -0.721 55.560 56.287 -0.011 0.000 0.833 913 K CB 2.059 34.549 32.500 -0.016 0.000 1.378 913 K HN 0.278 nan 8.250 nan 0.000 0.432 914 I N 3.552 124.091 120.570 -0.052 0.000 2.466 914 I HA 0.423 4.592 4.170 -0.002 0.000 0.289 914 I C -0.679 175.441 176.117 0.005 0.000 1.026 914 I CA -0.813 60.405 61.300 -0.136 0.000 1.078 914 I CB 1.649 39.369 38.000 -0.467 0.000 1.249 914 I HN 0.387 nan 8.210 nan 0.000 0.429 915 I N 6.548 127.103 120.570 -0.025 0.000 2.378 915 I HA 0.407 4.576 4.170 -0.002 0.000 0.291 915 I C -0.626 175.496 176.117 0.009 0.000 0.992 915 I CA -0.854 60.446 61.300 0.000 0.000 1.154 915 I CB 2.089 40.075 38.000 -0.024 0.000 1.315 915 I HN 0.160 nan 8.210 nan 0.000 0.448 916 V N 5.649 125.588 119.914 0.042 0.000 2.409 916 V HA 0.312 4.430 4.120 -0.002 0.000 0.291 916 V C -0.389 175.731 176.094 0.042 0.000 1.020 916 V CA -0.704 61.631 62.300 0.058 0.000 0.848 916 V CB 1.555 33.459 31.823 0.135 0.000 0.990 916 V HN 0.691 nan 8.190 nan 0.000 0.430 917 N N 4.931 123.654 118.700 0.039 0.000 2.469 917 N HA 0.544 5.282 4.740 -0.002 0.000 0.253 917 N C -0.704 174.843 175.510 0.061 0.000 0.970 917 N CA -0.577 52.494 53.050 0.036 0.000 0.940 917 N CB 1.313 39.813 38.487 0.022 0.000 1.128 917 N HN 0.560 nan 8.380 nan 0.000 0.503 918 L N 1.682 122.948 121.223 0.072 0.000 2.439 918 L HA 0.166 4.505 4.340 -0.002 0.000 0.269 918 L C 0.696 177.620 176.870 0.091 0.000 1.179 918 L CA -0.194 54.703 54.840 0.095 0.000 0.828 918 L CB 0.364 42.486 42.059 0.104 0.000 1.106 918 L HN 0.588 nan 8.230 nan 0.000 0.467 919 N N 2.722 121.488 118.700 0.111 0.000 2.955 919 N HA 0.129 4.868 4.740 -0.002 0.000 0.242 919 N C -1.063 174.531 175.510 0.141 0.000 1.123 919 N CA -0.369 52.748 53.050 0.112 0.000 0.949 919 N CB -0.044 38.514 38.487 0.118 0.000 1.214 919 N HN 0.739 nan 8.380 nan 0.000 0.504 920 N N 0.857 119.632 118.700 0.126 0.000 3.294 920 N HA 0.209 4.947 4.740 -0.002 0.000 0.355 920 N C -0.337 175.262 175.510 0.149 0.000 1.497 920 N CA -0.656 52.483 53.050 0.149 0.000 0.707 920 N CB -0.134 38.436 38.487 0.138 0.000 1.732 920 N HN 0.068 nan 8.380 nan 0.000 0.640 921 N N -0.229 118.589 118.700 0.197 0.000 2.412 921 N HA -0.011 4.728 4.740 -0.002 0.000 0.258 921 N C 0.245 175.810 175.510 0.092 0.000 1.236 921 N CA 0.083 53.233 53.050 0.166 0.000 0.882 921 N CB 0.287 38.933 38.487 0.266 0.000 1.066 921 N HN 0.585 nan 8.380 nan 0.000 0.465 922 I N 1.583 122.162 120.570 0.014 0.000 4.082 922 I HA 0.133 4.302 4.170 -0.002 0.000 0.337 922 I C 1.298 177.357 176.117 -0.097 0.000 1.352 922 I CA -0.084 61.206 61.300 -0.016 0.000 1.097 922 I CB 0.016 38.012 38.000 -0.007 0.000 1.048 922 I HN 0.372 nan 8.210 nan 0.000 0.393 923 L N 0.384 121.472 121.223 -0.224 0.000 2.168 923 L HA 0.345 4.684 4.340 -0.002 0.000 0.203 923 L C 0.259 176.831 176.870 -0.496 0.000 1.078 923 L CA 1.095 55.676 54.840 -0.431 0.000 0.780 923 L CB -0.237 41.406 42.059 -0.694 0.000 0.939 923 L HN 0.154 nan 8.230 nan 0.000 0.451 924 Y N 0.296 120.523 120.300 -0.121 0.000 2.383 924 Y HA 0.214 4.763 4.550 -0.002 0.000 0.344 924 Y C 1.837 177.752 175.900 0.025 0.000 0.986 924 Y CA -0.007 58.045 58.100 -0.079 0.000 1.175 924 Y CB 0.784 39.121 38.460 -0.205 0.000 1.152 924 Y HN 0.137 nan 8.280 nan 0.000 0.511 925 S N 1.903 117.692 115.700 0.148 0.000 2.371 925 S HA 0.035 4.504 4.470 -0.002 0.000 0.224 925 S C 1.074 175.775 174.600 0.168 0.000 1.029 925 S CA 0.248 58.522 58.200 0.123 0.000 0.978 925 S CB -0.155 63.091 63.200 0.077 0.000 0.833 925 S HN 0.619 nan 8.310 nan 0.000 0.466 926 A N 2.417 125.355 122.820 0.197 0.000 2.302 926 A HA 0.632 4.951 4.320 -0.002 0.000 0.285 926 A C 0.482 178.220 177.584 0.256 0.000 1.105 926 A CA -1.003 51.145 52.037 0.185 0.000 0.816 926 A CB -0.183 18.903 19.000 0.144 0.000 1.067 926 A HN 0.680 nan 8.150 nan 0.000 0.489 927 I N -0.258 120.423 120.570 0.185 0.000 2.775 927 I HA 0.205 4.373 4.170 -0.002 0.000 0.290 927 I C 0.165 176.358 176.117 0.126 0.000 1.203 927 I CA 0.213 61.597 61.300 0.139 0.000 1.433 927 I CB 0.059 38.096 38.000 0.062 0.000 1.354 927 I HN 0.768 nan 8.210 nan 0.000 0.579 928 Y N 2.703 122.965 120.300 -0.063 0.000 2.563 928 Y HA 0.487 5.036 4.550 -0.002 0.000 0.250 928 Y C -0.114 175.710 175.900 -0.127 0.000 1.126 928 Y CA -0.750 57.244 58.100 -0.176 0.000 1.231 928 Y CB -0.386 37.777 38.460 -0.495 0.000 1.288 928 Y HN 0.690 nan 8.280 nan 0.000 0.537 929 E N -0.102 119.788 120.200 -0.517 0.000 2.429 929 E HA 0.372 4.721 4.350 -0.002 0.000 0.276 929 E C -1.189 175.287 176.600 -0.207 0.000 0.953 929 E CA -1.256 54.939 56.400 -0.342 0.000 0.787 929 E CB 0.852 30.288 29.700 -0.440 0.000 1.307 929 E HN -0.087 nan 8.360 nan 0.000 0.458 930 N N 0.494 119.119 118.700 -0.124 0.000 2.371 930 N HA 0.294 5.033 4.740 -0.002 0.000 0.243 930 N C -0.544 174.917 175.510 -0.081 0.000 1.287 930 N CA 0.198 53.201 53.050 -0.077 0.000 0.911 930 N CB 0.917 39.372 38.487 -0.052 0.000 1.142 930 N HN 0.648 nan 8.380 nan 0.000 0.451 931 S N -1.884 113.783 115.700 -0.055 0.000 2.611 931 S HA 0.735 5.204 4.470 -0.002 0.000 0.268 931 S C -1.222 173.349 174.600 -0.047 0.000 1.156 931 S CA -0.876 57.302 58.200 -0.037 0.000 0.817 931 S CB 1.282 64.462 63.200 -0.034 0.000 1.122 931 S HN 0.331 nan 8.310 nan 0.000 0.466 932 S N -0.069 115.629 115.700 -0.002 0.000 2.564 932 S HA 0.819 5.288 4.470 -0.002 0.000 0.274 932 S C -1.386 173.215 174.600 0.001 0.000 1.124 932 S CA -0.708 57.456 58.200 -0.061 0.000 0.869 932 S CB 1.772 64.894 63.200 -0.130 0.000 1.105 932 S HN 0.883 nan 8.310 nan 0.000 0.472 933 V N 2.389 122.189 119.914 -0.189 0.000 2.588 933 V HA 0.821 4.939 4.120 -0.002 0.000 0.304 933 V C -0.465 175.475 176.094 -0.257 0.000 1.042 933 V CA -0.577 61.580 62.300 -0.238 0.000 0.877 933 V CB 1.748 33.336 31.823 -0.392 0.000 0.996 933 V HN 1.018 nan 8.190 nan 0.000 0.425 934 S N 4.189 119.808 115.700 -0.134 0.000 2.569 934 S HA 1.003 5.472 4.470 -0.002 0.000 0.280 934 S C -1.013 173.614 174.600 0.045 0.000 1.111 934 S CA -0.691 57.373 58.200 -0.227 0.000 0.887 934 S CB 2.498 65.703 63.200 0.008 0.000 1.095 934 S HN 1.277 nan 8.310 nan 0.000 0.476 935 F N -2.831 117.081 119.950 -0.064 0.000 2.799 935 F HA 0.772 5.298 4.527 -0.002 0.000 0.316 935 F C -2.477 173.448 175.800 0.210 0.000 1.155 935 F CA -1.657 56.495 58.000 0.254 0.000 0.916 935 F CB 0.145 39.392 39.000 0.412 0.000 1.294 935 F HN 0.649 nan 8.300 nan 0.000 0.447 936 W N 2.437 124.009 121.300 0.454 0.000 2.578 936 W HA 0.823 5.482 4.660 -0.002 0.000 0.346 936 W C -0.792 175.980 176.519 0.421 0.000 1.075 936 W CA -0.974 56.583 57.345 0.353 0.000 1.233 936 W CB 1.708 31.406 29.460 0.397 0.000 1.358 936 W HN 0.717 nan 8.180 nan 0.000 0.574 937 I N 1.938 122.655 120.570 0.246 0.000 2.769 937 I HA 0.456 4.625 4.170 -0.002 0.000 0.298 937 I C -1.236 174.650 176.117 -0.385 0.000 1.128 937 I CA -1.225 60.047 61.300 -0.047 0.000 1.031 937 I CB 2.053 40.027 38.000 -0.042 0.000 1.235 937 I HN 0.412 nan 8.210 nan 0.000 0.423 938 K N 7.740 127.892 120.400 -0.414 0.000 2.601 938 K HA 0.574 4.893 4.320 -0.002 0.000 0.249 938 K C -2.072 174.521 176.600 -0.011 0.000 0.966 938 K CA -0.493 55.546 56.287 -0.413 0.000 0.827 938 K CB 1.425 33.164 32.500 -1.268 0.000 1.178 938 K HN 0.562 nan 8.250 nan 0.000 0.437 939 I N 3.698 124.324 120.570 0.092 0.000 2.389 939 I HA 0.176 4.345 4.170 -0.002 0.000 0.288 939 I C 0.344 176.605 176.117 0.241 0.000 0.999 939 I CA -0.801 60.581 61.300 0.138 0.000 1.129 939 I CB 1.985 40.017 38.000 0.053 0.000 1.288 939 I HN 0.698 nan 8.210 nan 0.000 0.444 940 S N 4.976 120.797 115.700 0.202 0.000 2.576 940 S HA 0.060 4.528 4.470 -0.002 0.000 0.272 940 S C 1.141 175.831 174.600 0.150 0.000 1.352 940 S CA -0.316 58.000 58.200 0.194 0.000 1.021 940 S CB 1.132 64.390 63.200 0.097 0.000 0.887 940 S HN 0.813 nan 8.310 nan 0.000 0.542 941 K N 0.774 121.230 120.400 0.094 0.000 2.063 941 K HA -0.189 4.130 4.320 -0.002 0.000 0.208 941 K C 1.106 177.648 176.600 -0.097 0.000 1.048 941 K CA 2.061 58.311 56.287 -0.062 0.000 0.928 941 K CB -0.457 31.730 32.500 -0.523 0.000 0.713 941 K HN 0.711 nan 8.250 nan 0.000 0.442 942 D N 0.443 120.778 120.400 -0.107 0.000 2.178 942 D HA -0.134 4.505 4.640 -0.002 0.000 0.202 942 D C 1.659 177.911 176.300 -0.080 0.000 0.974 942 D CA 0.575 54.512 54.000 -0.104 0.000 0.841 942 D CB -0.006 40.735 40.800 -0.098 0.000 0.953 942 D HN 0.108 nan 8.370 nan 0.000 0.478 943 L N 0.357 121.535 121.223 -0.077 0.000 2.072 943 L HA -0.066 4.272 4.340 -0.002 0.000 0.205 943 L C 2.046 178.920 176.870 0.006 0.000 1.079 943 L CA 1.672 56.438 54.840 -0.124 0.000 0.752 943 L CB -0.917 41.044 42.059 -0.164 0.000 0.906 943 L HN -0.028 nan 8.230 nan 0.000 0.436 944 T N -0.180 114.432 114.554 0.097 0.000 2.788 944 T HA -0.114 4.234 4.350 -0.002 0.000 0.268 944 T C 1.570 176.296 174.700 0.043 0.000 1.044 944 T CA 1.365 63.563 62.100 0.163 0.000 1.139 944 T CB -0.283 68.729 68.868 0.239 0.000 0.867 944 T HN 0.279 nan 8.240 nan 0.000 0.454 945 N N 1.311 119.998 118.700 -0.023 0.000 2.550 945 N HA 0.054 4.792 4.740 -0.002 0.000 0.186 945 N C 0.655 176.066 175.510 -0.164 0.000 1.110 945 N CA 0.124 53.114 53.050 -0.099 0.000 0.912 945 N CB -0.167 38.247 38.487 -0.121 0.000 0.968 945 N HN 0.255 nan 8.380 nan 0.000 0.448 946 S N -0.020 115.648 115.700 -0.055 0.000 2.565 946 S HA 0.049 4.517 4.470 -0.002 0.000 0.276 946 S C 0.854 175.442 174.600 -0.020 0.000 1.326 946 S CA -0.419 57.773 58.200 -0.014 0.000 1.045 946 S CB 0.451 63.781 63.200 0.216 0.000 0.918 946 S HN 0.264 nan 8.310 nan 0.000 0.505 947 H N 3.097 122.216 119.070 0.082 0.000 2.547 947 H HA 0.226 4.781 4.556 -0.002 0.000 0.266 947 H C 0.330 175.676 175.328 0.030 0.000 0.988 947 H CA 0.106 56.182 56.048 0.048 0.000 1.147 947 H CB -0.198 29.576 29.762 0.021 0.000 1.365 947 H HN 0.473 nan 8.280 nan 0.000 0.589 948 N N 1.353 120.123 118.700 0.116 0.000 2.381 948 N HA 0.004 4.742 4.740 -0.002 0.000 0.254 948 N C 0.411 175.805 175.510 -0.194 0.000 1.264 948 N CA -0.042 52.951 53.050 -0.095 0.000 0.942 948 N CB 1.290 39.608 38.487 -0.280 0.000 1.190 948 N HN 0.333 nan 8.380 nan 0.000 0.495 949 E N 0.228 120.211 120.200 -0.361 0.000 2.179 949 E HA 0.296 4.645 4.350 -0.002 0.000 0.275 949 E C -1.390 174.900 176.600 -0.517 0.000 0.945 949 E CA -0.448 55.798 56.400 -0.256 0.000 0.792 949 E CB 0.579 30.206 29.700 -0.123 0.000 1.125 949 E HN 0.397 nan 8.360 nan 0.000 0.397 950 Y N 1.489 121.816 120.300 0.045 0.000 2.373 950 Y HA 0.251 4.799 4.550 -0.003 0.000 0.336 950 Y C -0.099 175.818 175.900 0.028 0.000 0.979 950 Y CA -0.846 57.273 58.100 0.032 0.000 1.080 950 Y CB 2.346 40.833 38.460 0.045 0.000 1.190 950 Y HN 0.324 nan 8.280 nan 0.000 0.446 951 T N 4.700 119.327 114.554 0.120 0.000 2.817 951 T HA 0.295 4.644 4.350 -0.002 0.000 0.293 951 T C 0.833 175.572 174.700 0.066 0.000 0.964 951 T CA -0.188 61.944 62.100 0.053 0.000 1.085 951 T CB 0.698 69.550 68.868 -0.027 0.000 0.921 951 T HN 0.493 nan 8.240 nan 0.000 0.502 952 I N 2.104 122.707 120.570 0.055 0.000 3.565 952 I HA 0.340 4.509 4.170 -0.002 0.000 0.287 952 I C 0.574 176.679 176.117 -0.021 0.000 1.193 952 I CA 0.609 61.946 61.300 0.062 0.000 1.402 952 I CB -0.073 37.995 38.000 0.113 0.000 1.284 952 I HN 0.500 nan 8.210 nan 0.000 0.454 953 I N 1.006 121.520 120.570 -0.093 0.000 2.647 953 I HA 0.423 4.591 4.170 -0.002 0.000 0.295 953 I C -0.707 175.220 176.117 -0.317 0.000 1.078 953 I CA -0.604 60.519 61.300 -0.294 0.000 1.048 953 I CB 2.341 40.185 38.000 -0.260 0.000 1.239 953 I HN -0.025 nan 8.210 nan 0.000 0.421 954 N N 2.117 120.512 118.700 -0.510 0.000 2.455 954 N HA 0.259 4.998 4.740 -0.002 0.000 0.285 954 N C -0.288 174.774 175.510 -0.747 0.000 1.080 954 N CA -0.347 52.366 53.050 -0.563 0.000 0.932 954 N CB 2.183 40.462 38.487 -0.347 0.000 1.610 954 N HN 0.651 nan 8.380 nan 0.000 0.493 955 S N 2.102 117.201 115.700 -1.002 0.000 2.603 955 S HA 0.353 4.821 4.470 -0.002 0.000 0.232 955 S C 0.442 174.729 174.600 -0.523 0.000 1.016 955 S CA -0.351 57.331 58.200 -0.863 0.000 0.976 955 S CB -0.307 62.098 63.200 -1.325 0.000 0.921 955 S HN 0.503 nan 8.310 nan 0.000 0.516 956 I N 2.583 122.892 120.570 -0.435 0.000 2.421 956 I HA 0.240 4.409 4.170 -0.002 0.000 0.291 956 I C 1.117 177.115 176.117 -0.198 0.000 1.089 956 I CA -0.021 61.119 61.300 -0.266 0.000 1.354 956 I CB 0.860 38.728 38.000 -0.221 0.000 1.413 956 I HN 0.305 nan 8.210 nan 0.000 0.513 957 E N 3.417 123.527 120.200 -0.150 0.000 2.162 957 E HA -0.059 4.290 4.350 -0.002 0.000 0.193 957 E C 1.066 177.616 176.600 -0.082 0.000 0.953 957 E CA 0.762 57.095 56.400 -0.111 0.000 0.849 957 E CB 0.429 30.074 29.700 -0.091 0.000 0.810 957 E HN 0.644 nan 8.360 nan 0.000 0.470 958 Q N -0.565 119.193 119.800 -0.069 0.000 2.435 958 Q HA 0.221 4.560 4.340 -0.002 0.000 0.180 958 Q C 1.092 177.063 176.000 -0.048 0.000 0.699 958 Q CA 0.618 56.391 55.803 -0.050 0.000 0.805 958 Q CB 0.381 29.099 28.738 -0.033 0.000 1.157 958 Q HN -0.024 nan 8.270 nan 0.000 0.570 959 N N -0.746 117.933 118.700 -0.036 0.000 2.612 959 N HA 0.101 4.839 4.740 -0.002 0.000 0.224 959 N C -0.263 175.233 175.510 -0.023 0.000 1.051 959 N CA 0.429 53.464 53.050 -0.024 0.000 0.889 959 N CB 0.788 39.271 38.487 -0.005 0.000 1.449 959 N HN 0.147 nan 8.380 nan 0.000 0.442 960 S N -0.379 115.311 115.700 -0.017 0.000 2.687 960 S HA 0.867 5.335 4.470 -0.002 0.000 0.283 960 S C 0.376 174.951 174.600 -0.042 0.000 1.170 960 S CA -0.022 58.177 58.200 -0.003 0.000 1.008 960 S CB 1.867 65.085 63.200 0.030 0.000 1.026 960 S HN 0.434 nan 8.310 nan 0.000 0.541 961 G N 0.013 108.805 108.800 -0.014 0.000 2.325 961 G HA2 0.223 4.181 3.960 -0.002 0.000 0.285 961 G HA3 0.223 4.181 3.960 -0.002 0.000 0.285 961 G C -1.356 173.529 174.900 -0.025 0.000 1.303 961 G CA -0.464 44.582 45.100 -0.091 0.000 0.970 961 G HN 1.346 nan 8.290 nan 0.000 0.490 962 W N 0.085 121.313 121.300 -0.121 0.000 2.975 962 W HA 0.857 5.516 4.660 -0.001 0.000 0.342 962 W C -0.602 175.645 176.519 -0.454 0.000 1.168 962 W CA -0.866 56.301 57.345 -0.295 0.000 1.141 962 W CB 1.665 30.976 29.460 -0.249 0.000 1.445 962 W HN 1.100 nan 8.180 nan 0.000 0.560 963 K N 0.698 120.901 120.400 -0.327 0.000 2.562 963 K HA 0.667 4.985 4.320 -0.002 0.000 0.267 963 K C -2.473 173.903 176.600 -0.374 0.000 0.938 963 K CA -0.935 55.153 56.287 -0.332 0.000 0.840 963 K CB 2.331 34.661 32.500 -0.283 0.000 1.390 963 K HN 0.445 nan 8.250 nan 0.000 0.428 964 L N 2.829 123.959 121.223 -0.155 0.000 2.287 964 L HA 0.582 4.920 4.340 -0.002 0.000 0.287 964 L C -0.939 175.991 176.870 0.099 0.000 1.022 964 L CA -0.022 54.860 54.840 0.071 0.000 0.814 964 L CB 1.038 43.276 42.059 0.298 0.000 1.217 964 L HN 0.967 nan 8.230 nan 0.000 0.420 965 C N 4.286 123.673 119.300 0.144 0.000 2.614 965 C HA 0.854 5.313 4.460 -0.002 0.000 0.320 965 C C 0.007 175.136 174.990 0.232 0.000 1.200 965 C CA -1.223 57.883 59.018 0.148 0.000 1.700 965 C CB 0.526 28.317 27.740 0.085 0.000 2.275 965 C HN 0.923 nan 8.230 nan 0.000 0.492 966 I N -0.185 120.542 120.570 0.262 0.000 2.530 966 I HA 0.854 5.023 4.170 -0.002 0.000 0.297 966 I C -0.451 175.855 176.117 0.315 0.000 1.011 966 I CA -0.808 60.691 61.300 0.332 0.000 1.107 966 I CB 1.682 39.894 38.000 0.353 0.000 1.285 966 I HN 1.020 nan 8.210 nan 0.000 0.436 967 R N 4.431 125.100 120.500 0.283 0.000 2.792 967 R HA 0.180 4.518 4.340 -0.002 0.000 0.285 967 R C -0.756 175.642 176.300 0.162 0.000 1.207 967 R CA -0.482 55.739 56.100 0.201 0.000 1.091 967 R CB 0.643 31.020 30.300 0.128 0.000 1.263 967 R HN 0.935 nan 8.270 nan 0.000 0.403 968 N N 2.893 121.691 118.700 0.163 0.000 2.725 968 N HA -0.190 4.549 4.740 -0.002 0.000 0.251 968 N C 0.486 176.002 175.510 0.009 0.000 1.031 968 N CA 2.231 55.353 53.050 0.120 0.000 0.720 968 N CB -0.959 37.613 38.487 0.142 0.000 0.930 968 N HN 1.148 nan 8.380 nan 0.000 0.543 969 G N -1.329 107.448 108.800 -0.039 0.000 2.148 969 G HA2 -0.314 3.644 3.960 -0.002 0.000 0.254 969 G HA3 -0.314 3.644 3.960 -0.002 0.000 0.254 969 G C -0.189 174.368 174.900 -0.571 0.000 0.981 969 G CA 0.359 45.213 45.100 -0.409 0.000 0.670 969 G HN 0.658 nan 8.290 nan 0.000 0.528 970 N N -0.078 118.596 118.700 -0.043 0.000 2.272 970 N HA 0.657 5.395 4.740 -0.002 0.000 0.305 970 N C -0.003 175.756 175.510 0.416 0.000 1.103 970 N CA -0.354 52.769 53.050 0.121 0.000 0.791 970 N CB 2.022 40.552 38.487 0.071 0.000 1.356 970 N HN 0.525 nan 8.380 nan 0.000 0.486 971 I N -1.730 119.136 120.570 0.493 0.000 2.377 971 I HA 0.540 4.709 4.170 -0.002 0.000 0.293 971 I C -0.152 176.196 176.117 0.384 0.000 0.987 971 I CA -0.583 60.997 61.300 0.468 0.000 1.185 971 I CB 1.784 40.111 38.000 0.543 0.000 1.341 971 I HN 0.406 nan 8.210 nan 0.000 0.455 972 E N 6.789 127.191 120.200 0.337 0.000 2.234 972 E HA 0.237 4.586 4.350 -0.002 0.000 0.266 972 E C -2.061 174.746 176.600 0.344 0.000 0.877 972 E CA -0.816 55.766 56.400 0.303 0.000 0.758 972 E CB 1.874 31.700 29.700 0.210 0.000 1.170 972 E HN 0.781 nan 8.360 nan 0.000 0.415 973 W N 7.537 128.947 121.300 0.182 0.000 2.433 973 W HA 0.436 5.095 4.660 -0.001 0.000 0.315 973 W C -1.553 175.072 176.519 0.176 0.000 1.087 973 W CA -0.729 56.727 57.345 0.185 0.000 1.205 973 W CB 1.074 30.625 29.460 0.151 0.000 1.288 973 W HN 0.447 nan 8.180 nan 0.000 0.504 974 I N 7.610 128.060 120.570 -0.200 0.000 2.466 974 I HA 0.253 4.421 4.170 -0.002 0.000 0.289 974 I C -0.765 175.342 176.117 -0.017 0.000 1.026 974 I CA -1.053 60.238 61.300 -0.015 0.000 1.078 974 I CB 1.679 39.630 38.000 -0.082 0.000 1.249 974 I HN 0.225 nan 8.210 nan 0.000 0.429 975 L N 6.686 128.033 121.223 0.207 0.000 2.313 975 L HA 0.504 4.843 4.340 -0.002 0.000 0.283 975 L C -0.529 176.467 176.870 0.210 0.000 1.013 975 L CA -0.009 54.976 54.840 0.241 0.000 0.816 975 L CB 1.545 43.788 42.059 0.305 0.000 1.236 975 L HN 0.684 nan 8.230 nan 0.000 0.419 976 Q N 2.361 122.255 119.800 0.157 0.000 2.356 976 Q HA 0.437 4.776 4.340 -0.002 0.000 0.270 976 Q C -1.379 174.682 176.000 0.102 0.000 1.058 976 Q CA -0.838 55.048 55.803 0.139 0.000 0.802 976 Q CB 2.038 30.818 28.738 0.070 0.000 1.303 976 Q HN 0.799 nan 8.270 nan 0.000 0.444 977 D N 0.750 121.206 120.400 0.094 0.000 2.529 977 D HA 0.093 4.732 4.640 -0.002 0.000 0.273 977 D C 1.140 177.470 176.300 0.050 0.000 1.197 977 D CA -0.262 53.779 54.000 0.069 0.000 1.070 977 D CB 0.309 41.145 40.800 0.060 0.000 1.134 977 D HN 0.318 nan 8.370 nan 0.000 0.590 978 V N -2.146 117.793 119.914 0.042 0.000 2.867 978 V HA -0.090 4.028 4.120 -0.002 0.000 0.260 978 V C 0.867 176.976 176.094 0.026 0.000 1.099 978 V CA 1.177 63.495 62.300 0.030 0.000 1.122 978 V CB -0.959 30.881 31.823 0.029 0.000 0.708 978 V HN 0.435 nan 8.190 nan 0.000 0.490 979 N N 0.744 119.464 118.700 0.032 0.000 2.336 979 N HA 0.154 4.893 4.740 -0.002 0.000 0.189 979 N C 0.663 176.199 175.510 0.042 0.000 1.113 979 N CA 0.360 53.429 53.050 0.030 0.000 0.858 979 N CB 0.096 38.598 38.487 0.026 0.000 0.970 979 N HN 0.595 nan 8.380 nan 0.000 0.471 980 R N -0.000 120.532 120.500 0.054 0.000 3.951 980 R HA -0.174 4.165 4.340 -0.002 0.000 0.352 980 R C 0.052 176.442 176.300 0.150 0.000 1.178 980 R CA 0.640 56.791 56.100 0.084 0.000 0.949 980 R CB -1.858 28.477 30.300 0.059 0.000 1.452 980 R HN 0.257 nan 8.270 nan 0.000 0.540 981 K N 1.526 121.990 120.400 0.106 0.000 2.368 981 K HA 0.171 4.490 4.320 -0.002 0.000 0.282 981 K C -0.335 176.349 176.600 0.140 0.000 1.035 981 K CA -0.121 56.214 56.287 0.080 0.000 0.973 981 K CB 0.390 32.901 32.500 0.019 0.000 0.957 981 K HN 0.180 nan 8.250 nan 0.000 0.474 982 Y N 0.990 121.304 120.300 0.022 0.000 2.581 982 Y HA 0.593 5.142 4.550 -0.002 0.000 0.345 982 Y C -1.427 174.499 175.900 0.044 0.000 1.036 982 Y CA -1.358 56.763 58.100 0.035 0.000 1.042 982 Y CB 1.245 39.722 38.460 0.028 0.000 1.289 982 Y HN 0.220 nan 8.280 nan 0.000 0.471 983 K N 1.423 121.932 120.400 0.182 0.000 2.318 983 K HA 0.605 4.923 4.320 -0.002 0.000 0.249 983 K C -1.266 175.509 176.600 0.292 0.000 0.942 983 K CA -0.837 55.522 56.287 0.119 0.000 0.808 983 K CB 2.157 34.713 32.500 0.092 0.000 1.189 983 K HN 0.806 nan 8.250 nan 0.000 0.428 984 S N 2.361 118.208 115.700 0.246 0.000 2.521 984 S HA 0.716 5.185 4.470 -0.002 0.000 0.295 984 S C -1.098 173.635 174.600 0.222 0.000 1.098 984 S CA -0.782 57.588 58.200 0.283 0.000 0.999 984 S CB 0.543 63.927 63.200 0.306 0.000 1.034 984 S HN 0.446 nan 8.310 nan 0.000 0.483 985 L N 4.756 126.134 121.223 0.258 0.000 2.385 985 L HA 0.671 5.010 4.340 -0.002 0.000 0.273 985 L C -0.874 176.132 176.870 0.227 0.000 0.990 985 L CA -0.630 54.331 54.840 0.201 0.000 0.821 985 L CB 1.791 43.955 42.059 0.176 0.000 1.279 985 L HN 0.599 nan 8.230 nan 0.000 0.412 986 I N 2.632 123.314 120.570 0.188 0.000 2.608 986 I HA 0.464 4.632 4.170 -0.002 0.000 0.295 986 I C -1.340 174.932 176.117 0.257 0.000 1.049 986 I CA -0.594 60.834 61.300 0.213 0.000 1.063 986 I CB 2.622 40.715 38.000 0.156 0.000 1.248 986 I HN 0.378 nan 8.210 nan 0.000 0.424 987 F N 5.188 125.199 119.950 0.102 0.000 2.557 987 F HA 0.373 4.899 4.527 -0.002 0.000 0.316 987 F C -0.587 175.264 175.800 0.086 0.000 1.141 987 F CA -0.923 57.111 58.000 0.057 0.000 0.922 987 F CB 1.344 40.355 39.000 0.018 0.000 1.194 987 F HN 0.348 nan 8.300 nan 0.000 0.443 988 D N 5.297 125.319 120.400 -0.630 0.000 2.435 988 D HA 0.030 4.669 4.640 -0.002 0.000 0.230 988 D C 0.550 176.179 176.300 -1.119 0.000 1.215 988 D CA -0.017 53.600 54.000 -0.639 0.000 0.947 988 D CB 0.030 40.609 40.800 -0.368 0.000 1.048 988 D HN 0.575 nan 8.370 nan 0.000 0.512 989 Y N 1.711 121.484 120.300 -0.878 0.000 2.475 989 Y HA 0.097 4.646 4.550 -0.003 0.000 0.289 989 Y C 1.998 177.813 175.900 -0.141 0.000 1.121 989 Y CA 0.429 58.144 58.100 -0.642 0.000 1.257 989 Y CB -0.279 37.956 38.460 -0.375 0.000 1.026 989 Y HN 0.262 nan 8.280 nan 0.000 0.555 990 S N 0.450 115.716 115.700 -0.723 0.000 2.406 990 S HA -0.080 4.388 4.470 -0.002 0.000 0.224 990 S C 0.678 175.171 174.600 -0.179 0.000 1.030 990 S CA 0.729 58.701 58.200 -0.380 0.000 0.958 990 S CB -0.528 62.379 63.200 -0.488 0.000 0.811 990 S HN 0.579 nan 8.310 nan 0.000 0.489 991 E N 0.997 121.063 120.200 -0.225 0.000 2.228 991 E HA -0.151 4.198 4.350 -0.002 0.000 0.213 991 E C -0.301 176.243 176.600 -0.094 0.000 1.282 991 E CA 0.389 56.701 56.400 -0.147 0.000 0.707 991 E CB -2.119 27.500 29.700 -0.134 0.000 1.150 991 E HN 0.519 nan 8.360 nan 0.000 0.362 992 S N -0.837 114.811 115.700 -0.086 0.000 3.631 992 S HA -0.257 4.212 4.470 -0.002 0.000 0.366 992 S C 0.803 175.410 174.600 0.011 0.000 0.993 992 S CA 0.827 59.007 58.200 -0.034 0.000 1.167 992 S CB -1.198 61.991 63.200 -0.019 0.000 0.909 992 S HN 0.597 nan 8.310 nan 0.000 0.478 993 L N -2.367 118.874 121.223 0.030 0.000 4.429 993 L HA -0.228 4.111 4.340 -0.002 0.000 0.422 993 L C 0.858 177.820 176.870 0.154 0.000 1.149 993 L CA 0.634 55.559 54.840 0.142 0.000 0.972 993 L CB -2.146 40.014 42.059 0.169 0.000 2.059 993 L HN 0.722 nan 8.230 nan 0.000 0.870 994 S N 0.135 115.858 115.700 0.039 0.000 2.572 994 S HA 0.106 4.574 4.470 -0.002 0.000 0.279 994 S C 1.824 176.393 174.600 -0.052 0.000 1.341 994 S CA 0.230 58.410 58.200 -0.034 0.000 1.043 994 S CB 0.726 63.816 63.200 -0.183 0.000 0.887 994 S HN 0.503 nan 8.310 nan 0.000 0.516 995 H N 2.428 121.514 119.070 0.028 0.000 2.426 995 H HA -0.093 4.461 4.556 -0.002 0.000 0.298 995 H C 1.948 177.254 175.328 -0.038 0.000 1.107 995 H CA 1.936 57.998 56.048 0.023 0.000 1.298 995 H CB -1.182 28.572 29.762 -0.013 0.000 1.377 995 H HN 0.637 nan 8.280 nan 0.000 0.519 996 T N 0.246 114.403 114.554 -0.661 0.000 3.035 996 T HA 0.143 4.492 4.350 -0.002 0.000 0.268 996 T C 1.258 175.705 174.700 -0.422 0.000 1.109 996 T CA 0.539 62.362 62.100 -0.462 0.000 1.119 996 T CB -0.732 67.813 68.868 -0.538 0.000 0.900 996 T HN 0.603 nan 8.240 nan 0.000 0.503 997 G N -0.766 107.829 108.800 -0.340 0.000 2.509 997 G HA2 0.431 4.389 3.960 -0.002 0.000 0.269 997 G HA3 0.431 4.389 3.960 -0.002 0.000 0.269 997 G C -0.620 174.052 174.900 -0.380 0.000 1.416 997 G CA -0.558 44.354 45.100 -0.313 0.000 1.052 997 G HN 0.437 nan 8.290 nan 0.000 0.542 998 Y N -0.686 119.717 120.300 0.171 0.000 2.713 998 Y HA 0.299 4.847 4.550 -0.003 0.000 0.269 998 Y C 1.010 177.214 175.900 0.505 0.000 1.106 998 Y CA -0.557 57.731 58.100 0.314 0.000 1.174 998 Y CB 0.283 38.892 38.460 0.248 0.000 1.186 998 Y HN 0.163 nan 8.280 nan 0.000 0.555 999 T N 2.027 116.921 114.554 0.567 0.000 2.784 999 T HA -0.019 4.330 4.350 -0.002 0.000 0.291 999 T C 0.717 175.822 174.700 0.676 0.000 0.942 999 T CA 0.487 62.979 62.100 0.654 0.000 1.161 999 T CB -0.216 69.018 68.868 0.609 0.000 0.885 999 T HN 0.566 nan 8.240 nan 0.000 0.534 1000 N N 2.328 121.359 118.700 0.552 0.000 2.776 1000 N HA -0.176 4.563 4.740 -0.002 0.000 0.250 1000 N C -0.755 175.002 175.510 0.413 0.000 1.112 1000 N CA 1.060 54.340 53.050 0.383 0.000 0.733 1000 N CB -0.821 37.859 38.487 0.323 0.000 1.097 1000 N HN 0.646 nan 8.380 nan 0.000 0.558 1001 K N -0.254 120.446 120.400 0.499 0.000 2.324 1001 K HA 0.256 4.575 4.320 -0.002 0.000 0.253 1001 K C -0.656 176.299 176.600 0.592 0.000 0.932 1001 K CA -0.657 55.974 56.287 0.573 0.000 0.799 1001 K CB 0.776 33.660 32.500 0.641 0.000 1.154 1001 K HN 0.096 nan 8.250 nan 0.000 0.425 1002 W N 4.393 126.019 121.300 0.544 0.000 2.397 1002 W HA 0.072 4.730 4.660 -0.003 0.000 0.327 1002 W C 0.084 177.081 176.519 0.796 0.000 1.421 1002 W CA 0.039 57.693 57.345 0.515 0.000 1.288 1002 W CB -0.000 29.664 29.460 0.341 0.000 1.312 1002 W HN 0.395 nan 8.180 nan 0.000 0.559 1003 F N 3.088 123.490 119.950 0.752 0.000 2.581 1003 F HA 0.527 5.052 4.527 -0.003 0.000 0.311 1003 F C -1.328 174.552 175.800 0.135 0.000 1.113 1003 F CA -2.377 55.871 58.000 0.412 0.000 0.935 1003 F CB 0.590 39.605 39.000 0.025 0.000 1.232 1003 F HN 0.097 nan 8.300 nan 0.000 0.445 1004 F N 4.472 124.176 119.950 -0.409 0.000 2.472 1004 F HA 0.602 5.127 4.527 -0.003 0.000 0.364 1004 F C -0.774 174.621 175.800 -0.675 0.000 1.090 1004 F CA -0.880 56.485 58.000 -1.058 0.000 1.188 1004 F CB 0.839 38.958 39.000 -1.470 0.000 1.105 1004 F HN 0.408 nan 8.300 nan 0.000 0.536 1005 V N 5.251 124.412 119.914 -1.255 0.000 2.547 1005 V HA 0.573 4.692 4.120 -0.002 0.000 0.299 1005 V C -0.345 174.846 176.094 -1.505 0.000 1.040 1005 V CA -0.529 61.053 62.300 -1.198 0.000 0.913 1005 V CB 2.018 33.149 31.823 -1.154 0.000 0.992 1005 V HN 0.826 nan 8.190 nan 0.000 0.449 1006 T N 5.548 119.479 114.554 -1.039 0.000 3.109 1006 T HA 0.541 4.889 4.350 -0.002 0.000 0.311 1006 T C -0.873 173.498 174.700 -0.548 0.000 1.011 1006 T CA -0.282 61.310 62.100 -0.846 0.000 1.026 1006 T CB 1.038 69.400 68.868 -0.843 0.000 1.047 1006 T HN 0.317 nan 8.240 nan 0.000 0.448 1007 I N 4.086 124.293 120.570 -0.605 0.000 2.362 1007 I HA 0.428 4.597 4.170 -0.002 0.000 0.289 1007 I C 0.636 176.516 176.117 -0.394 0.000 0.994 1007 I CA -0.674 60.262 61.300 -0.607 0.000 1.158 1007 I CB 1.501 38.784 38.000 -1.195 0.000 1.315 1007 I HN 0.730 nan 8.210 nan 0.000 0.451 1008 T N 2.630 117.050 114.554 -0.223 0.000 2.829 1008 T HA 0.586 4.935 4.350 -0.002 0.000 0.280 1008 T C -0.430 174.218 174.700 -0.087 0.000 0.999 1008 T CA -0.911 61.105 62.100 -0.140 0.000 0.983 1008 T CB 1.334 70.162 68.868 -0.068 0.000 0.968 1008 T HN 0.530 nan 8.240 nan 0.000 0.446 1009 N N 2.689 121.348 118.700 -0.068 0.000 2.399 1009 N HA 0.344 5.083 4.740 -0.002 0.000 0.280 1009 N C -1.063 174.441 175.510 -0.011 0.000 1.008 1009 N CA -0.857 52.180 53.050 -0.022 0.000 0.894 1009 N CB 1.235 39.716 38.487 -0.009 0.000 1.273 1009 N HN 0.606 nan 8.380 nan 0.000 0.486 1010 N N 3.517 122.224 118.700 0.012 0.000 2.816 1010 N HA 0.145 4.884 4.740 -0.002 0.000 0.236 1010 N C 1.005 176.515 175.510 0.001 0.000 1.076 1010 N CA -0.425 52.632 53.050 0.011 0.000 0.902 1010 N CB 0.513 39.025 38.487 0.041 0.000 1.149 1010 N HN 0.712 nan 8.380 nan 0.000 0.506 1011 I N -0.342 120.223 120.570 -0.007 0.000 2.576 1011 I HA -0.196 3.973 4.170 -0.002 0.000 0.263 1011 I C 0.763 176.870 176.117 -0.016 0.000 1.183 1011 I CA 1.376 62.672 61.300 -0.006 0.000 1.432 1011 I CB -0.099 37.897 38.000 -0.008 0.000 1.100 1011 I HN 0.333 nan 8.210 nan 0.000 0.452 1012 M N 0.924 120.513 119.600 -0.017 0.000 2.778 1012 M HA 0.401 4.879 4.480 -0.002 0.000 0.359 1012 M C 0.625 176.906 176.300 -0.031 0.000 1.216 1012 M CA 0.057 55.343 55.300 -0.024 0.000 0.935 1012 M CB 1.098 33.692 32.600 -0.010 0.000 1.330 1012 M HN 0.502 nan 8.290 nan 0.000 0.516 1013 G N -0.237 108.533 108.800 -0.050 0.000 3.453 1013 G HA2 0.329 4.288 3.960 -0.002 0.000 0.165 1013 G HA3 0.329 4.288 3.960 -0.002 0.000 0.165 1013 G C -1.644 173.135 174.900 -0.201 0.000 1.220 1013 G CA -0.147 44.924 45.100 -0.047 0.000 1.305 1013 G HN 0.155 nan 8.290 nan 0.000 0.695 1014 Y N -0.135 120.156 120.300 -0.014 0.000 2.524 1014 Y HA 0.746 5.295 4.550 -0.002 0.000 0.344 1014 Y C 0.247 176.135 175.900 -0.020 0.000 1.012 1014 Y CA -0.706 57.383 58.100 -0.018 0.000 1.068 1014 Y CB 2.328 40.768 38.460 -0.032 0.000 1.249 1014 Y HN 0.413 nan 8.280 nan 0.000 0.468 1015 M N 3.124 122.805 119.600 0.136 0.000 2.205 1015 M HA 0.461 4.940 4.480 -0.002 0.000 0.344 1015 M C -1.647 174.667 176.300 0.023 0.000 1.085 1015 M CA -0.299 55.039 55.300 0.063 0.000 1.001 1015 M CB 0.557 33.204 32.600 0.079 0.000 1.626 1015 M HN 0.630 nan 8.290 nan 0.000 0.442 1016 K N 4.137 124.506 120.400 -0.051 0.000 2.259 1016 K HA 0.608 4.926 4.320 -0.002 0.000 0.249 1016 K C -1.603 174.855 176.600 -0.237 0.000 0.942 1016 K CA -0.949 55.240 56.287 -0.164 0.000 0.816 1016 K CB 2.536 34.909 32.500 -0.211 0.000 1.155 1016 K HN 0.593 nan 8.250 nan 0.000 0.428 1017 L N 2.863 123.883 121.223 -0.337 0.000 2.319 1017 L HA 0.430 4.769 4.340 -0.002 0.000 0.281 1017 L C -1.786 174.811 176.870 -0.454 0.000 1.005 1017 L CA -0.270 54.379 54.840 -0.319 0.000 0.828 1017 L CB 0.469 42.408 42.059 -0.200 0.000 1.227 1017 L HN 0.464 nan 8.230 nan 0.000 0.415 1018 Y N 5.370 125.418 120.300 -0.419 0.000 2.409 1018 Y HA 0.665 5.213 4.550 -0.003 0.000 0.339 1018 Y C -0.122 175.428 175.900 -0.583 0.000 1.033 1018 Y CA -0.902 56.926 58.100 -0.454 0.000 1.094 1018 Y CB 1.843 40.039 38.460 -0.440 0.000 1.210 1018 Y HN 0.318 nan 8.280 nan 0.000 0.456 1019 I N 3.311 123.608 120.570 -0.454 0.000 2.447 1019 I HA 0.188 4.357 4.170 -0.002 0.000 0.287 1019 I C -0.387 175.427 176.117 -0.504 0.000 1.023 1019 I CA -0.990 59.946 61.300 -0.607 0.000 1.083 1019 I CB 1.403 38.777 38.000 -1.044 0.000 1.245 1019 I HN 0.749 nan 8.210 nan 0.000 0.434 1020 N N 4.947 123.331 118.700 -0.526 0.000 2.727 1020 N HA -0.211 4.528 4.740 -0.002 0.000 0.249 1020 N C 1.112 176.105 175.510 -0.862 0.000 1.048 1020 N CA 1.319 53.866 53.050 -0.838 0.000 0.714 1020 N CB -1.049 37.124 38.487 -0.524 0.000 0.959 1020 N HN 1.135 nan 8.380 nan 0.000 0.544 1021 G N -1.218 107.268 108.800 -0.523 0.000 2.162 1021 G HA2 -0.326 3.632 3.960 -0.002 0.000 0.260 1021 G HA3 -0.326 3.632 3.960 -0.002 0.000 0.260 1021 G C -0.264 174.569 174.900 -0.111 0.000 0.976 1021 G CA 0.640 45.556 45.100 -0.307 0.000 0.655 1021 G HN 0.577 nan 8.290 nan 0.000 0.533 1022 E N -0.259 119.867 120.200 -0.124 0.000 2.158 1022 E HA 0.508 4.857 4.350 -0.002 0.000 0.271 1022 E C -0.180 176.343 176.600 -0.128 0.000 0.911 1022 E CA -1.087 55.264 56.400 -0.081 0.000 0.767 1022 E CB 2.084 31.700 29.700 -0.141 0.000 1.120 1022 E HN 0.181 nan 8.360 nan 0.000 0.405 1023 L N 3.895 125.001 121.223 -0.195 0.000 2.462 1023 L HA -0.003 4.336 4.340 -0.002 0.000 0.272 1023 L C 0.633 177.272 176.870 -0.384 0.000 1.166 1023 L CA 0.715 55.202 54.840 -0.587 0.000 0.880 1023 L CB 0.284 42.000 42.059 -0.572 0.000 1.142 1023 L HN 0.441 nan 8.230 nan 0.000 0.473 1024 K N 2.967 123.123 120.400 -0.408 0.000 2.344 1024 K HA 0.292 4.611 4.320 -0.002 0.000 0.200 1024 K C -0.223 176.277 176.600 -0.167 0.000 1.132 1024 K CA 0.481 56.628 56.287 -0.234 0.000 0.935 1024 K CB 0.474 32.837 32.500 -0.229 0.000 1.089 1024 K HN 0.623 nan 8.250 nan 0.000 0.496 1025 Q N -0.049 119.625 119.800 -0.210 0.000 2.435 1025 Q HA 0.415 4.753 4.340 -0.002 0.000 0.282 1025 Q C -1.159 174.751 176.000 -0.150 0.000 1.020 1025 Q CA -0.401 55.329 55.803 -0.122 0.000 0.820 1025 Q CB 2.576 31.294 28.738 -0.033 0.000 1.436 1025 Q HN -0.146 nan 8.270 nan 0.000 0.395 1026 S N 1.301 116.952 115.700 -0.081 0.000 2.541 1026 S HA 0.616 5.084 4.470 -0.002 0.000 0.280 1026 S C -1.091 173.563 174.600 0.091 0.000 1.112 1026 S CA -0.713 57.471 58.200 -0.028 0.000 0.925 1026 S CB 1.942 65.084 63.200 -0.096 0.000 1.067 1026 S HN 0.348 nan 8.310 nan 0.000 0.479 1027 Q N 1.608 121.508 119.800 0.166 0.000 2.331 1027 Q HA 0.343 4.682 4.340 -0.002 0.000 0.272 1027 Q C -0.920 175.156 176.000 0.126 0.000 1.062 1027 Q CA -0.654 55.243 55.803 0.157 0.000 0.806 1027 Q CB 2.567 31.361 28.738 0.094 0.000 1.312 1027 Q HN 0.642 nan 8.270 nan 0.000 0.431 1028 K N 2.553 122.921 120.400 -0.054 0.000 2.401 1028 K HA 0.125 4.444 4.320 -0.002 0.000 0.278 1028 K C 0.857 177.339 176.600 -0.197 0.000 1.018 1028 K CA 0.289 56.309 56.287 -0.445 0.000 0.981 1028 K CB 0.286 32.483 32.500 -0.505 0.000 0.933 1028 K HN 0.703 nan 8.250 nan 0.000 0.477 1029 I N 0.343 120.801 120.570 -0.187 0.000 4.240 1029 I HA 0.143 4.311 4.170 -0.002 0.000 0.331 1029 I C 1.383 177.454 176.117 -0.078 0.000 1.381 1029 I CA -0.423 60.834 61.300 -0.072 0.000 1.136 1029 I CB 0.375 38.378 38.000 0.005 0.000 1.137 1029 I HN 0.623 nan 8.210 nan 0.000 0.411 1030 E N 3.200 123.315 120.200 -0.140 0.000 2.204 1030 E HA -0.251 4.098 4.350 -0.002 0.000 0.195 1030 E C 1.002 177.559 176.600 -0.072 0.000 0.990 1030 E CA 1.850 58.190 56.400 -0.101 0.000 0.821 1030 E CB -0.015 29.603 29.700 -0.137 0.000 0.750 1030 E HN 0.777 nan 8.360 nan 0.000 0.477 1031 D N -0.198 120.152 120.400 -0.083 0.000 2.340 1031 D HA -0.034 4.604 4.640 -0.002 0.000 0.220 1031 D C 1.099 177.379 176.300 -0.033 0.000 1.039 1031 D CA -0.113 53.853 54.000 -0.057 0.000 0.866 1031 D CB -0.287 40.473 40.800 -0.067 0.000 0.913 1031 D HN 0.171 nan 8.370 nan 0.000 0.523 1032 L N 0.927 122.137 121.223 -0.022 0.000 2.473 1032 L HA 0.102 4.441 4.340 -0.002 0.000 0.268 1032 L C 1.087 177.964 176.870 0.010 0.000 1.215 1032 L CA -0.094 54.748 54.840 0.003 0.000 0.823 1032 L CB 0.465 42.540 42.059 0.027 0.000 1.099 1032 L HN -0.118 nan 8.230 nan 0.000 0.483 1033 D N 0.187 120.599 120.400 0.020 0.000 2.430 1033 D HA 0.048 4.686 4.640 -0.002 0.000 0.285 1033 D C -0.108 176.214 176.300 0.037 0.000 1.210 1033 D CA -0.444 53.570 54.000 0.024 0.000 1.080 1033 D CB 0.355 41.168 40.800 0.022 0.000 1.134 1033 D HN 0.470 nan 8.370 nan 0.000 0.562 1034 E N 0.320 120.545 120.200 0.041 0.000 2.529 1034 E HA 0.085 4.434 4.350 -0.002 0.000 0.259 1034 E C -1.165 175.471 176.600 0.061 0.000 0.966 1034 E CA 0.073 56.505 56.400 0.053 0.000 0.937 1034 E CB 0.515 30.247 29.700 0.053 0.000 0.923 1034 E HN -0.024 nan 8.360 nan 0.000 0.468 1035 V N 6.496 126.455 119.914 0.075 0.000 2.407 1035 V HA 0.203 4.322 4.120 -0.002 0.000 0.291 1035 V C 0.068 176.221 176.094 0.098 0.000 1.018 1035 V CA -0.931 61.422 62.300 0.087 0.000 0.842 1035 V CB 1.521 33.409 31.823 0.108 0.000 0.996 1035 V HN 0.612 nan 8.190 nan 0.000 0.426 1036 K N 3.664 124.116 120.400 0.086 0.000 2.258 1036 K HA 0.402 4.721 4.320 -0.002 0.000 0.264 1036 K C -0.095 176.574 176.600 0.115 0.000 1.007 1036 K CA -0.351 55.993 56.287 0.095 0.000 0.941 1036 K CB 1.225 33.763 32.500 0.064 0.000 0.966 1036 K HN 0.481 nan 8.250 nan 0.000 0.480 1037 L N 2.348 123.656 121.223 0.142 0.000 2.485 1037 L HA -0.053 4.286 4.340 -0.002 0.000 0.275 1037 L C 0.546 177.486 176.870 0.116 0.000 1.207 1037 L CA 0.085 55.020 54.840 0.159 0.000 0.855 1037 L CB 0.251 42.434 42.059 0.205 0.000 1.114 1037 L HN 0.436 nan 8.230 nan 0.000 0.485 1038 D N 2.961 123.440 120.400 0.131 0.000 2.399 1038 D HA 0.049 4.687 4.640 -0.002 0.000 0.241 1038 D C 0.578 176.918 176.300 0.066 0.000 1.133 1038 D CA 0.080 54.127 54.000 0.079 0.000 0.890 1038 D CB 1.240 42.131 40.800 0.151 0.000 1.201 1038 D HN 0.358 nan 8.370 nan 0.000 0.432 1039 K N 0.062 120.472 120.400 0.017 0.000 2.443 1039 K HA 0.129 4.447 4.320 -0.002 0.000 0.200 1039 K C 0.167 176.769 176.600 0.004 0.000 1.278 1039 K CA 0.510 56.811 56.287 0.023 0.000 0.925 1039 K CB 0.606 33.114 32.500 0.013 0.000 1.225 1039 K HN 0.305 nan 8.250 nan 0.000 0.514 1040 T N 1.606 116.133 114.554 -0.045 0.000 2.881 1040 T HA 0.585 4.933 4.350 -0.002 0.000 0.290 1040 T C -0.434 174.180 174.700 -0.143 0.000 1.000 1040 T CA -0.488 61.573 62.100 -0.065 0.000 0.978 1040 T CB 1.942 70.767 68.868 -0.071 0.000 0.997 1040 T HN -0.100 nan 8.240 nan 0.000 0.443 1041 I N 2.622 123.120 120.570 -0.121 0.000 2.406 1041 I HA 0.506 4.674 4.170 -0.002 0.000 0.290 1041 I C -0.655 175.317 176.117 -0.242 0.000 0.999 1041 I CA -1.078 60.069 61.300 -0.254 0.000 1.124 1041 I CB 1.897 39.811 38.000 -0.144 0.000 1.289 1041 I HN 0.260 nan 8.210 nan 0.000 0.441 1042 V N 6.734 126.438 119.914 -0.351 0.000 2.384 1042 V HA 0.384 4.503 4.120 -0.002 0.000 0.287 1042 V C -0.499 175.397 176.094 -0.331 0.000 1.020 1042 V CA -0.520 61.643 62.300 -0.229 0.000 0.850 1042 V CB 1.191 32.911 31.823 -0.172 0.000 0.987 1042 V HN 0.362 nan 8.190 nan 0.000 0.436 1043 F N 3.032 122.894 119.950 -0.147 0.000 2.410 1043 F HA 0.819 5.344 4.527 -0.003 0.000 0.349 1043 F C 0.860 176.623 175.800 -0.062 0.000 1.117 1043 F CA 0.044 57.987 58.000 -0.094 0.000 1.104 1043 F CB 1.794 40.731 39.000 -0.106 0.000 1.122 1043 F HN 0.723 nan 8.300 nan 0.000 0.483 1044 G N 3.253 112.123 108.800 0.116 0.000 2.329 1044 G HA2 0.232 4.191 3.960 -0.002 0.000 0.308 1044 G HA3 0.232 4.191 3.960 -0.002 0.000 0.308 1044 G C -1.718 173.207 174.900 0.041 0.000 1.587 1044 G CA -1.172 43.971 45.100 0.072 0.000 0.978 1044 G HN 0.533 nan 8.290 nan 0.000 0.685 1045 I N 1.262 121.860 120.570 0.046 0.000 2.353 1045 I HA 0.296 4.465 4.170 -0.002 0.000 0.293 1045 I C 0.143 176.292 176.117 0.052 0.000 0.992 1045 I CA -0.659 60.683 61.300 0.071 0.000 1.268 1045 I CB 1.700 39.756 38.000 0.092 0.000 1.387 1045 I HN 0.466 nan 8.210 nan 0.000 0.478 1046 D N 3.626 124.053 120.400 0.044 0.000 2.366 1046 D HA 0.042 4.681 4.640 -0.002 0.000 0.205 1046 D C 0.373 176.693 176.300 0.033 0.000 1.022 1046 D CA 0.401 54.413 54.000 0.021 0.000 0.868 1046 D CB 0.327 41.122 40.800 -0.008 0.000 0.953 1046 D HN 0.486 nan 8.370 nan 0.000 0.514 1047 E N 0.843 121.082 120.200 0.065 0.000 2.408 1047 E HA 0.075 4.423 4.350 -0.002 0.000 0.259 1047 E C 0.210 176.870 176.600 0.101 0.000 1.110 1047 E CA -0.185 56.249 56.400 0.058 0.000 0.929 1047 E CB 0.352 30.058 29.700 0.009 0.000 0.971 1047 E HN -0.089 nan 8.360 nan 0.000 0.438 1048 N N 1.327 120.071 118.700 0.074 0.000 2.497 1048 N HA 0.146 4.885 4.740 -0.002 0.000 0.268 1048 N C -0.940 174.650 175.510 0.133 0.000 1.171 1048 N CA -0.086 53.009 53.050 0.074 0.000 0.948 1048 N CB 0.171 38.683 38.487 0.043 0.000 1.069 1048 N HN 0.480 nan 8.380 nan 0.000 0.460 1049 I N -0.994 119.631 120.570 0.091 0.000 2.797 1049 I HA 0.628 4.797 4.170 -0.002 0.000 0.307 1049 I C -0.548 175.583 176.117 0.023 0.000 1.033 1049 I CA -0.987 60.353 61.300 0.067 0.000 1.071 1049 I CB 1.794 39.789 38.000 -0.008 0.000 1.255 1049 I HN 0.207 nan 8.210 nan 0.000 0.445 1050 D N 2.518 122.920 120.400 0.004 0.000 2.387 1050 D HA 0.279 4.917 4.640 -0.002 0.000 0.255 1050 D C -0.383 175.898 176.300 -0.031 0.000 1.081 1050 D CA -0.381 53.614 54.000 -0.008 0.000 0.994 1050 D CB 0.958 41.754 40.800 -0.006 0.000 1.127 1050 D HN 0.574 nan 8.370 nan 0.000 0.513 1051 E N 0.588 120.772 120.200 -0.026 0.000 2.437 1051 E HA -0.054 4.295 4.350 -0.002 0.000 0.263 1051 E C 0.225 176.799 176.600 -0.044 0.000 1.030 1051 E CA 0.263 56.643 56.400 -0.032 0.000 0.934 1051 E CB 0.258 29.947 29.700 -0.020 0.000 0.943 1051 E HN 0.309 nan 8.360 nan 0.000 0.444 1052 N N 0.870 119.540 118.700 -0.050 0.000 2.936 1052 N HA -0.205 4.534 4.740 -0.002 0.000 0.236 1052 N C -0.857 174.603 175.510 -0.082 0.000 0.930 1052 N CA 1.062 54.081 53.050 -0.052 0.000 0.966 1052 N CB -0.788 37.678 38.487 -0.035 0.000 1.090 1052 N HN 0.533 nan 8.380 nan 0.000 0.592 1053 Q N 0.546 120.282 119.800 -0.108 0.000 2.441 1053 Q HA 0.419 4.757 4.340 -0.002 0.000 0.234 1053 Q C 0.584 176.466 176.000 -0.197 0.000 1.078 1053 Q CA 0.156 55.866 55.803 -0.155 0.000 0.907 1053 Q CB 0.419 29.048 28.738 -0.182 0.000 1.269 1053 Q HN 0.452 nan 8.270 nan 0.000 0.502 1054 M N 0.840 120.309 119.600 -0.219 0.000 2.618 1054 M HA 0.771 5.250 4.480 -0.002 0.000 0.281 1054 M C -1.661 174.415 176.300 -0.373 0.000 1.267 1054 M CA -1.345 53.745 55.300 -0.349 0.000 0.845 1054 M CB 1.939 34.243 32.600 -0.493 0.000 1.732 1054 M HN 0.322 nan 8.290 nan 0.000 0.461 1055 L N -1.809 119.116 121.223 -0.497 0.000 2.479 1055 L HA 0.831 5.170 4.340 -0.002 0.000 0.255 1055 L C -2.143 174.462 176.870 -0.443 0.000 1.026 1055 L CA -0.454 54.203 54.840 -0.306 0.000 0.842 1055 L CB 1.994 43.991 42.059 -0.104 0.000 1.444 1055 L HN 0.851 nan 8.230 nan 0.000 0.409 1056 W N 1.607 122.770 121.300 -0.228 0.000 2.761 1056 W HA 0.774 5.433 4.660 -0.002 0.000 0.340 1056 W C -1.013 175.352 176.519 -0.257 0.000 1.072 1056 W CA -0.683 56.527 57.345 -0.224 0.000 1.215 1056 W CB 2.299 31.618 29.460 -0.234 0.000 1.420 1056 W HN 0.407 nan 8.180 nan 0.000 0.519 1057 I N 2.426 122.901 120.570 -0.158 0.000 2.689 1057 I HA 0.498 4.667 4.170 -0.002 0.000 0.299 1057 I C -0.136 175.918 176.117 -0.105 0.000 1.059 1057 I CA -1.029 60.166 61.300 -0.175 0.000 1.055 1057 I CB 2.573 40.241 38.000 -0.553 0.000 1.243 1057 I HN 0.357 nan 8.210 nan 0.000 0.425 1058 R N 2.883 123.578 120.500 0.325 0.000 2.740 1058 R HA 0.475 4.813 4.340 -0.002 0.000 0.273 1058 R C -1.401 175.133 176.300 0.390 0.000 0.998 1058 R CA -0.594 55.645 56.100 0.231 0.000 0.900 1058 R CB 1.547 31.834 30.300 -0.023 0.000 1.223 1058 R HN 0.523 nan 8.270 nan 0.000 0.466 1059 D N 0.788 121.373 120.400 0.307 0.000 2.689 1059 D HA -0.230 4.409 4.640 -0.002 0.000 0.237 1059 D C -1.031 175.557 176.300 0.481 0.000 1.148 1059 D CA 1.085 55.296 54.000 0.352 0.000 0.656 1059 D CB -1.054 39.945 40.800 0.332 0.000 1.050 1059 D HN 0.444 nan 8.370 nan 0.000 0.426 1060 F N 1.276 121.451 119.950 0.376 0.000 2.504 1060 F HA 0.235 4.761 4.527 -0.002 0.000 0.369 1060 F C 0.606 176.575 175.800 0.281 0.000 1.082 1060 F CA 0.078 58.328 58.000 0.416 0.000 1.216 1060 F CB 0.407 39.665 39.000 0.429 0.000 1.108 1060 F HN -0.121 nan 8.300 nan 0.000 0.554 1061 N N 6.837 125.360 118.700 -0.295 0.000 2.242 1061 N HA 0.503 5.241 4.740 -0.002 0.000 0.292 1061 N C -1.316 173.864 175.510 -0.551 0.000 1.125 1061 N CA -0.500 52.338 53.050 -0.354 0.000 0.783 1061 N CB 2.505 40.747 38.487 -0.408 0.000 1.558 1061 N HN 0.469 nan 8.380 nan 0.000 0.472 1062 I N 1.460 121.759 120.570 -0.451 0.000 2.509 1062 I HA 0.470 4.639 4.170 -0.002 0.000 0.293 1062 I C -0.965 174.868 176.117 -0.473 0.000 1.020 1062 I CA -0.672 60.440 61.300 -0.313 0.000 1.088 1062 I CB 1.294 39.260 38.000 -0.056 0.000 1.267 1062 I HN 0.276 nan 8.210 nan 0.000 0.430 1063 F N 1.978 121.873 119.950 -0.091 0.000 2.522 1063 F HA 0.254 4.780 4.527 -0.001 0.000 0.324 1063 F C 1.124 176.870 175.800 -0.091 0.000 1.077 1063 F CA -0.742 57.212 58.000 -0.077 0.000 0.944 1063 F CB 1.912 40.863 39.000 -0.082 0.000 1.175 1063 F HN 0.424 nan 8.300 nan 0.000 0.468 1064 S N 0.567 116.318 115.700 0.086 0.000 2.763 1064 S HA 0.220 4.689 4.470 -0.002 0.000 0.237 1064 S C -0.237 174.365 174.600 0.003 0.000 0.966 1064 S CA -0.431 57.766 58.200 -0.004 0.000 1.017 1064 S CB -1.046 62.135 63.200 -0.032 0.000 0.780 1064 S HN 0.719 nan 8.310 nan 0.000 0.476 1065 K N -0.178 120.242 120.400 0.033 0.000 2.522 1065 K HA 0.404 4.722 4.320 -0.002 0.000 0.275 1065 K C -1.408 175.164 176.600 -0.047 0.000 1.006 1065 K CA -0.961 55.317 56.287 -0.015 0.000 0.890 1065 K CB 0.974 33.465 32.500 -0.014 0.000 1.475 1065 K HN 0.049 nan 8.250 nan 0.000 0.441 1066 E N 2.621 122.782 120.200 -0.065 0.000 2.052 1066 E HA 0.141 4.490 4.350 -0.002 0.000 0.283 1066 E C -0.702 175.818 176.600 -0.133 0.000 1.071 1066 E CA -0.500 55.847 56.400 -0.087 0.000 0.851 1066 E CB 0.423 30.092 29.700 -0.052 0.000 1.066 1066 E HN 0.422 nan 8.360 nan 0.000 0.396 1067 L N 3.835 124.925 121.223 -0.221 0.000 2.453 1067 L HA 0.042 4.381 4.340 -0.002 0.000 0.272 1067 L C 0.953 177.668 176.870 -0.258 0.000 1.182 1067 L CA -0.207 54.455 54.840 -0.297 0.000 0.858 1067 L CB 0.714 42.485 42.059 -0.480 0.000 1.120 1067 L HN 0.584 nan 8.230 nan 0.000 0.474 1068 S N 1.509 117.080 115.700 -0.214 0.000 2.614 1068 S HA 0.041 4.510 4.470 -0.002 0.000 0.265 1068 S C 0.954 175.400 174.600 -0.256 0.000 1.303 1068 S CA -0.645 57.452 58.200 -0.171 0.000 1.000 1068 S CB 0.999 64.129 63.200 -0.116 0.000 0.935 1068 S HN 0.684 nan 8.310 nan 0.000 0.551 1069 N N 1.047 119.633 118.700 -0.190 0.000 2.149 1069 N HA -0.145 4.593 4.740 -0.002 0.000 0.188 1069 N C 1.420 176.815 175.510 -0.191 0.000 1.019 1069 N CA 1.692 54.604 53.050 -0.229 0.000 0.857 1069 N CB -0.592 37.882 38.487 -0.021 0.000 0.997 1069 N HN 0.755 nan 8.380 nan 0.000 0.426 1070 E N 0.461 120.583 120.200 -0.130 0.000 2.051 1070 E HA -0.111 4.237 4.350 -0.002 0.000 0.192 1070 E C 1.537 178.064 176.600 -0.121 0.000 0.991 1070 E CA 1.157 57.498 56.400 -0.099 0.000 0.799 1070 E CB -0.190 29.468 29.700 -0.071 0.000 0.748 1070 E HN 0.348 nan 8.360 nan 0.000 0.449 1071 D N 0.265 120.570 120.400 -0.158 0.000 2.104 1071 D HA -0.162 4.477 4.640 -0.002 0.000 0.194 1071 D C 1.990 178.166 176.300 -0.208 0.000 0.994 1071 D CA 0.972 54.863 54.000 -0.183 0.000 0.830 1071 D CB -0.230 40.425 40.800 -0.241 0.000 0.959 1071 D HN 0.196 nan 8.370 nan 0.000 0.452 1072 I N 1.032 121.434 120.570 -0.280 0.000 2.286 1072 I HA -0.233 3.935 4.170 -0.002 0.000 0.248 1072 I C 2.012 178.075 176.117 -0.089 0.000 1.115 1072 I CA 0.732 61.872 61.300 -0.266 0.000 1.392 1072 I CB -0.201 37.477 38.000 -0.537 0.000 1.065 1072 I HN -0.037 nan 8.210 nan 0.000 0.418 1073 N N 0.845 119.491 118.700 -0.090 0.000 2.309 1073 N HA -0.067 4.672 4.740 -0.002 0.000 0.182 1073 N C 1.897 177.427 175.510 0.033 0.000 1.018 1073 N CA 1.184 54.248 53.050 0.023 0.000 0.876 1073 N CB -0.042 38.449 38.487 0.006 0.000 0.972 1073 N HN 0.377 nan 8.380 nan 0.000 0.434 1074 I N 0.251 120.803 120.570 -0.030 0.000 2.252 1074 I HA -0.194 3.975 4.170 -0.002 0.000 0.245 1074 I C 2.041 178.132 176.117 -0.043 0.000 1.102 1074 I CA 0.640 61.918 61.300 -0.036 0.000 1.385 1074 I CB -0.094 37.878 38.000 -0.048 0.000 1.064 1074 I HN -0.116 nan 8.210 nan 0.000 0.414 1075 V N 0.283 120.166 119.914 -0.052 0.000 2.295 1075 V HA -0.324 3.794 4.120 -0.002 0.000 0.246 1075 V C 2.295 178.277 176.094 -0.187 0.000 1.049 1075 V CA 1.961 64.227 62.300 -0.056 0.000 1.024 1075 V CB -0.894 30.935 31.823 0.011 0.000 0.648 1075 V HN 0.407 nan 8.190 nan 0.000 0.447 1076 Y N 1.591 121.632 120.300 -0.432 0.000 2.081 1076 Y HA -0.243 4.305 4.550 -0.003 0.000 0.280 1076 Y C 2.626 178.419 175.900 -0.178 0.000 1.163 1076 Y CA 2.039 59.771 58.100 -0.612 0.000 1.135 1076 Y CB -0.387 37.855 38.460 -0.363 0.000 0.970 1076 Y HN 0.293 nan 8.280 nan 0.000 0.498 1077 E N -0.425 119.634 120.200 -0.236 0.000 2.153 1077 E HA -0.143 4.206 4.350 -0.002 0.000 0.194 1077 E C 2.414 178.902 176.600 -0.186 0.000 0.988 1077 E CA 1.080 57.323 56.400 -0.262 0.000 0.811 1077 E CB -0.675 28.957 29.700 -0.112 0.000 0.746 1077 E HN 0.644 nan 8.360 nan 0.000 0.466 1078 G N 1.041 109.764 108.800 -0.127 0.000 2.403 1078 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.216 1078 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.216 1078 G C 1.469 176.302 174.900 -0.111 0.000 1.154 1078 G CA 0.248 45.293 45.100 -0.092 0.000 0.784 1078 G HN 0.222 nan 8.290 nan 0.000 0.538 1079 Q N -0.705 119.028 119.800 -0.111 0.000 2.398 1079 Q HA 0.304 4.643 4.340 -0.002 0.000 0.204 1079 Q C 2.182 177.945 176.000 -0.395 0.000 0.932 1079 Q CA -0.141 55.572 55.803 -0.150 0.000 0.916 1079 Q CB 0.226 29.010 28.738 0.078 0.000 1.024 1079 Q HN 0.508 nan 8.270 nan 0.000 0.504 1080 I N 0.741 121.130 120.570 -0.300 0.000 2.830 1080 I HA -0.113 4.056 4.170 -0.002 0.000 0.263 1080 I C -0.346 175.590 176.117 -0.302 0.000 1.230 1080 I CA 0.494 61.546 61.300 -0.415 0.000 1.480 1080 I CB 0.345 38.191 38.000 -0.256 0.000 1.095 1080 I HN 0.239 nan 8.210 nan 0.000 0.455 1081 L N 1.320 122.411 121.223 -0.221 0.000 3.523 1081 L HA -0.240 4.099 4.340 -0.002 0.000 0.668 1081 L C 1.600 178.409 176.870 -0.101 0.000 1.211 1081 L CA 0.365 55.123 54.840 -0.136 0.000 1.096 1081 L CB -1.349 40.647 42.059 -0.105 0.000 1.617 1081 L HN 0.487 nan 8.230 nan 0.000 0.873 1082 R N 1.386 121.831 120.500 -0.092 0.000 2.139 1082 R HA -0.198 4.141 4.340 -0.002 0.000 0.243 1082 R C 1.513 177.785 176.300 -0.046 0.000 1.145 1082 R CA 2.092 58.152 56.100 -0.067 0.000 0.976 1082 R CB -0.331 29.933 30.300 -0.062 0.000 0.866 1082 R HN 0.831 nan 8.270 nan 0.000 0.449 1083 N N 0.968 119.639 118.700 -0.048 0.000 2.280 1083 N HA 0.005 4.743 4.740 -0.002 0.000 0.192 1083 N C -0.446 175.033 175.510 -0.051 0.000 1.109 1083 N CA -0.042 52.985 53.050 -0.039 0.000 0.855 1083 N CB 0.529 38.998 38.487 -0.031 0.000 0.974 1083 N HN 0.053 nan 8.380 nan 0.000 0.482 1084 V N 2.926 122.800 119.914 -0.066 0.000 2.364 1084 V HA 0.232 4.350 4.120 -0.002 0.000 0.272 1084 V C 0.576 176.610 176.094 -0.100 0.000 1.036 1084 V CA -0.899 61.346 62.300 -0.092 0.000 0.880 1084 V CB 0.988 32.750 31.823 -0.102 0.000 0.991 1084 V HN 0.092 nan 8.190 nan 0.000 0.460 1085 I N 5.487 125.974 120.570 -0.139 0.000 2.752 1085 I HA 0.205 4.373 4.170 -0.002 0.000 0.287 1085 I C 0.498 176.508 176.117 -0.179 0.000 1.188 1085 I CA 0.085 61.290 61.300 -0.160 0.000 1.427 1085 I CB 0.314 38.157 38.000 -0.261 0.000 1.365 1085 I HN 0.503 nan 8.210 nan 0.000 0.585 1086 K N 4.000 124.333 120.400 -0.112 0.000 2.203 1086 K HA 0.332 4.650 4.320 -0.002 0.000 0.251 1086 K C -0.409 176.135 176.600 -0.093 0.000 0.944 1086 K CA -0.771 55.451 56.287 -0.108 0.000 0.829 1086 K CB 1.566 34.038 32.500 -0.046 0.000 1.125 1086 K HN 0.560 nan 8.250 nan 0.000 0.430 1087 D N -0.457 119.899 120.400 -0.073 0.000 2.433 1087 D HA -0.057 4.582 4.640 -0.002 0.000 0.255 1087 D C 1.160 177.526 176.300 0.110 0.000 1.226 1087 D CA -0.267 53.767 54.000 0.057 0.000 1.015 1087 D CB 0.089 41.026 40.800 0.229 0.000 1.091 1087 D HN 0.515 nan 8.370 nan 0.000 0.527 1088 Y N -0.501 119.758 120.300 -0.068 0.000 2.256 1088 Y HA -0.130 4.419 4.550 -0.002 0.000 0.288 1088 Y C 1.368 177.160 175.900 -0.182 0.000 1.155 1088 Y CA 1.310 59.272 58.100 -0.230 0.000 1.203 1088 Y CB -0.173 37.944 38.460 -0.571 0.000 0.980 1088 Y HN 0.457 nan 8.280 nan 0.000 0.530 1089 W N -0.776 120.600 121.300 0.127 0.000 3.139 1089 W HA 0.326 4.984 4.660 -0.002 0.000 0.260 1089 W C 1.839 178.353 176.519 -0.008 0.000 1.312 1089 W CA 0.628 58.011 57.345 0.063 0.000 1.606 1089 W CB -0.047 29.486 29.460 0.120 0.000 1.118 1089 W HN 0.158 nan 8.180 nan 0.000 0.675 1090 G N 0.230 108.836 108.800 -0.324 0.000 2.175 1090 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.244 1090 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.244 1090 G C 0.204 174.972 174.900 -0.220 0.000 0.982 1090 G CA -0.371 44.083 45.100 -1.078 0.000 0.641 1090 G HN 0.171 nan 8.290 nan 0.000 0.527 1091 N N 1.363 120.106 118.700 0.072 0.000 2.467 1091 N HA 0.408 5.147 4.740 -0.002 0.000 0.262 1091 N C -2.713 172.681 175.510 -0.193 0.000 1.234 1091 N CA -1.151 51.875 53.050 -0.040 0.000 0.952 1091 N CB 0.415 38.947 38.487 0.075 0.000 1.158 1091 N HN 0.067 nan 8.380 nan 0.000 0.463 1092 P HA 0.043 nan 4.420 nan 0.000 0.268 1092 P C 0.012 177.201 177.300 -0.186 0.000 1.204 1092 P CA -0.292 62.624 63.100 -0.307 0.000 0.768 1092 P CB 0.454 31.908 31.700 -0.410 0.000 0.842 1093 L N 4.713 125.802 121.223 -0.223 0.000 2.426 1093 L HA 0.187 4.526 4.340 -0.002 0.000 0.271 1093 L C 0.305 177.046 176.870 -0.216 0.000 1.169 1093 L CA 0.874 55.556 54.840 -0.263 0.000 0.836 1093 L CB -0.052 41.680 42.059 -0.545 0.000 1.112 1093 L HN 0.286 nan 8.230 nan 0.000 0.465 1094 K N 3.820 124.195 120.400 -0.041 0.000 2.375 1094 K HA 0.424 4.743 4.320 -0.002 0.000 0.249 1094 K C -0.953 175.613 176.600 -0.057 0.000 0.942 1094 K CA -0.793 55.461 56.287 -0.056 0.000 0.806 1094 K CB 1.558 34.115 32.500 0.093 0.000 1.227 1094 K HN 0.186 nan 8.250 nan 0.000 0.430 1095 F N 1.759 121.737 119.950 0.047 0.000 2.485 1095 F HA -0.038 4.488 4.527 -0.002 0.000 0.327 1095 F C 0.984 176.781 175.800 -0.004 0.000 1.203 1095 F CA 0.607 58.608 58.000 0.001 0.000 1.295 1095 F CB 0.235 39.194 39.000 -0.069 0.000 1.191 1095 F HN 0.690 nan 8.300 nan 0.000 0.588 1096 D N -0.437 120.060 120.400 0.161 0.000 2.945 1096 D HA -0.181 4.458 4.640 -0.002 0.000 0.225 1096 D C -0.388 175.979 176.300 0.112 0.000 1.158 1096 D CA 0.968 54.974 54.000 0.011 0.000 0.805 1096 D CB -1.850 38.747 40.800 -0.339 0.000 1.098 1096 D HN 0.433 nan 8.370 nan 0.000 0.426 1097 T N 0.620 115.222 114.554 0.079 0.000 2.848 1097 T HA 0.318 4.666 4.350 -0.002 0.000 0.285 1097 T C 0.132 174.637 174.700 -0.325 0.000 0.995 1097 T CA -0.689 61.357 62.100 -0.090 0.000 0.970 1097 T CB 2.385 71.165 68.868 -0.148 0.000 0.976 1097 T HN -0.059 nan 8.240 nan 0.000 0.441 1098 E N 1.915 121.919 120.200 -0.327 0.000 2.376 1098 E HA 0.235 4.584 4.350 -0.002 0.000 0.266 1098 E C -1.135 175.131 176.600 -0.557 0.000 1.009 1098 E CA 0.117 56.322 56.400 -0.326 0.000 0.902 1098 E CB 0.545 30.098 29.700 -0.245 0.000 0.972 1098 E HN 0.501 nan 8.360 nan 0.000 0.439 1099 Y N 1.213 121.482 120.300 -0.052 0.000 2.442 1099 Y HA 0.237 4.786 4.550 -0.002 0.000 0.344 1099 Y C -0.844 174.989 175.900 -0.111 0.000 0.976 1099 Y CA -0.931 57.188 58.100 0.032 0.000 1.040 1099 Y CB 1.092 39.684 38.460 0.219 0.000 1.228 1099 Y HN 0.415 nan 8.280 nan 0.000 0.451 1100 Y N 3.579 124.056 120.300 0.295 0.000 2.425 1100 Y HA 0.410 4.958 4.550 -0.002 0.000 0.347 1100 Y C 0.023 176.012 175.900 0.148 0.000 0.976 1100 Y CA -0.361 57.862 58.100 0.206 0.000 1.190 1100 Y CB 0.329 38.912 38.460 0.205 0.000 1.136 1100 Y HN 0.355 nan 8.280 nan 0.000 0.517 1101 I N 6.381 127.064 120.570 0.189 0.000 2.315 1101 I HA 0.379 4.547 4.170 -0.002 0.000 0.291 1101 I C -0.102 176.080 176.117 0.108 0.000 1.006 1101 I CA -0.610 60.688 61.300 -0.003 0.000 1.265 1101 I CB 0.617 38.518 38.000 -0.165 0.000 1.387 1101 I HN 0.512 nan 8.210 nan 0.000 0.475 1102 I N 3.306 123.918 120.570 0.071 0.000 2.785 1102 I HA 0.528 4.697 4.170 -0.002 0.000 0.302 1102 I C -0.746 175.413 176.117 0.070 0.000 1.069 1102 I CA -0.798 60.567 61.300 0.107 0.000 1.045 1102 I CB 2.092 40.084 38.000 -0.014 0.000 1.236 1102 I HN 0.466 nan 8.210 nan 0.000 0.429 1103 N N 2.691 121.348 118.700 -0.072 0.000 2.479 1103 N HA 0.059 4.797 4.740 -0.002 0.000 0.285 1103 N C 0.182 175.484 175.510 -0.347 0.000 1.075 1103 N CA -0.039 52.721 53.050 -0.483 0.000 0.967 1103 N CB 1.802 39.932 38.487 -0.595 0.000 1.137 1103 N HN 0.895 nan 8.380 nan 0.000 0.472 1104 D N 2.211 122.386 120.400 -0.374 0.000 2.221 1104 D HA -0.104 4.535 4.640 -0.002 0.000 0.204 1104 D C 0.792 176.875 176.300 -0.363 0.000 0.982 1104 D CA 1.332 55.179 54.000 -0.254 0.000 0.857 1104 D CB 0.269 41.001 40.800 -0.113 0.000 0.934 1104 D HN 0.479 nan 8.370 nan 0.000 0.475 1105 N N -1.107 117.270 118.700 -0.539 0.000 2.463 1105 N HA -0.032 4.706 4.740 -0.002 0.000 0.181 1105 N C -0.539 174.307 175.510 -1.107 0.000 1.078 1105 N CA 0.459 53.012 53.050 -0.827 0.000 0.902 1105 N CB 0.255 38.104 38.487 -1.063 0.000 0.970 1105 N HN 0.279 nan 8.380 nan 0.000 0.451 1106 Y N -0.041 120.065 120.300 -0.322 0.000 2.497 1106 Y HA 0.284 4.833 4.550 -0.002 0.000 0.333 1106 Y C 1.158 176.868 175.900 -0.318 0.000 1.046 1106 Y CA -0.797 57.099 58.100 -0.340 0.000 1.160 1106 Y CB -0.250 37.996 38.460 -0.357 0.000 1.123 1106 Y HN -0.071 nan 8.280 nan 0.000 0.638 1107 I N -1.988 118.412 120.570 -0.283 0.000 2.830 1107 I HA -0.060 4.109 4.170 -0.002 0.000 0.263 1107 I C 0.807 176.638 176.117 -0.477 0.000 1.230 1107 I CA 1.237 62.330 61.300 -0.344 0.000 1.480 1107 I CB 0.212 37.967 38.000 -0.407 0.000 1.095 1107 I HN 0.265 nan 8.210 nan 0.000 0.455 1108 D N 1.846 121.961 120.400 -0.474 0.000 2.755 1108 D HA 0.201 4.840 4.640 -0.002 0.000 0.257 1108 D C 0.015 176.087 176.300 -0.379 0.000 1.291 1108 D CA -0.371 53.175 54.000 -0.757 0.000 0.836 1108 D CB 0.091 40.619 40.800 -0.455 0.000 1.059 1108 D HN 0.426 nan 8.370 nan 0.000 0.486 1109 R N 0.521 120.936 120.500 -0.141 0.000 2.621 1109 R HA 0.433 4.771 4.340 -0.002 0.000 0.292 1109 R C -0.945 175.559 176.300 0.341 0.000 0.969 1109 R CA -0.996 55.183 56.100 0.131 0.000 0.887 1109 R CB 1.669 31.944 30.300 -0.043 0.000 1.180 1109 R HN 0.161 nan 8.270 nan 0.000 0.450 1110 Y N -0.239 120.265 120.300 0.339 0.000 2.457 1110 Y HA 0.623 5.172 4.550 -0.002 0.000 0.333 1110 Y C -0.128 175.875 175.900 0.172 0.000 1.119 1110 Y CA -1.431 56.835 58.100 0.277 0.000 1.143 1110 Y CB 0.790 39.369 38.460 0.199 0.000 1.230 1110 Y HN 0.363 nan 8.280 nan 0.000 0.469 1111 I N 3.168 123.922 120.570 0.307 0.000 2.496 1111 I HA 0.533 4.701 4.170 -0.002 0.000 0.285 1111 I C 0.055 176.293 176.117 0.202 0.000 1.080 1111 I CA -0.183 61.212 61.300 0.158 0.000 1.404 1111 I CB 0.595 38.666 38.000 0.119 0.000 1.403 1111 I HN 0.855 nan 8.210 nan 0.000 0.539 1112 A N 8.729 131.588 122.820 0.065 0.000 2.549 1112 A HA 0.797 5.115 4.320 -0.002 0.000 0.297 1112 A C -2.834 174.716 177.584 -0.058 0.000 1.061 1112 A CA -1.409 50.673 52.037 0.074 0.000 0.690 1112 A CB 1.915 21.005 19.000 0.149 0.000 1.287 1112 A HN 0.429 nan 8.150 nan 0.000 0.402 1113 P HA 0.416 nan 4.420 nan 0.000 0.286 1113 P C -1.042 176.183 177.300 -0.124 0.000 1.269 1113 P CA 0.103 63.049 63.100 -0.256 0.000 0.787 1113 P CB 1.151 32.511 31.700 -0.566 0.000 0.920 1114 E N 1.307 121.537 120.200 0.050 0.000 2.255 1114 E HA 0.262 4.610 4.350 -0.002 0.000 0.256 1114 E C -0.314 176.454 176.600 0.281 0.000 0.887 1114 E CA -0.689 55.815 56.400 0.174 0.000 0.782 1114 E CB 0.915 30.818 29.700 0.339 0.000 1.214 1114 E HN 0.282 nan 8.360 nan 0.000 0.417 1115 S N 2.875 118.641 115.700 0.110 0.000 3.641 1115 S HA -0.247 4.221 4.470 -0.002 0.000 0.346 1115 S C 0.548 175.232 174.600 0.139 0.000 1.074 1115 S CA 1.046 59.310 58.200 0.107 0.000 1.026 1115 S CB -1.243 62.008 63.200 0.085 0.000 0.908 1115 S HN 0.901 nan 8.310 nan 0.000 0.479 1116 N N -1.376 117.345 118.700 0.035 0.000 2.741 1116 N HA -0.186 4.553 4.740 -0.002 0.000 0.250 1116 N C -0.716 174.794 175.510 0.001 0.000 1.115 1116 N CA 1.199 54.233 53.050 -0.027 0.000 0.724 1116 N CB -1.210 37.264 38.487 -0.022 0.000 1.090 1116 N HN 0.553 nan 8.380 nan 0.000 0.558 1117 V N 1.375 121.316 119.914 0.045 0.000 2.487 1117 V HA 0.410 4.528 4.120 -0.002 0.000 0.298 1117 V C 0.670 176.712 176.094 -0.085 0.000 1.028 1117 V CA -0.878 61.385 62.300 -0.062 0.000 0.860 1117 V CB 1.848 33.542 31.823 -0.215 0.000 0.991 1117 V HN 0.125 nan 8.190 nan 0.000 0.427 1118 L N 5.941 127.093 121.223 -0.118 0.000 2.410 1118 L HA 0.498 4.836 4.340 -0.002 0.000 0.273 1118 L C 0.046 176.851 176.870 -0.109 0.000 1.152 1118 L CA 0.116 54.895 54.840 -0.101 0.000 0.855 1118 L CB 0.998 42.999 42.059 -0.097 0.000 1.129 1118 L HN 0.644 nan 8.230 nan 0.000 0.463 1119 V N 1.883 121.757 119.914 -0.067 0.000 3.167 1119 V HA 0.556 4.674 4.120 -0.002 0.000 0.310 1119 V C -0.618 175.447 176.094 -0.048 0.000 1.207 1119 V CA -1.096 61.166 62.300 -0.064 0.000 1.059 1119 V CB 2.315 34.116 31.823 -0.036 0.000 1.079 1119 V HN 0.514 nan 8.190 nan 0.000 0.446 1120 L N 1.936 123.131 121.223 -0.047 0.000 2.265 1120 L HA 0.635 4.974 4.340 -0.002 0.000 0.289 1120 L C -0.630 176.159 176.870 -0.135 0.000 1.033 1120 L CA -0.679 54.109 54.840 -0.087 0.000 0.814 1120 L CB 1.517 43.514 42.059 -0.103 0.000 1.203 1120 L HN 0.517 nan 8.230 nan 0.000 0.423 1121 V N 3.078 122.781 119.914 -0.351 0.000 2.427 1121 V HA 0.197 4.316 4.120 -0.002 0.000 0.286 1121 V C 0.238 176.166 176.094 -0.278 0.000 1.034 1121 V CA -0.598 61.459 62.300 -0.405 0.000 0.893 1121 V CB 1.662 33.036 31.823 -0.747 0.000 0.982 1121 V HN 0.760 nan 8.190 nan 0.000 0.452 1122 Q N 2.727 122.509 119.800 -0.030 0.000 2.311 1122 Q HA 0.139 4.478 4.340 -0.002 0.000 0.272 1122 Q C -1.007 175.183 176.000 0.317 0.000 1.012 1122 Q CA -0.358 55.518 55.803 0.121 0.000 0.891 1122 Q CB 0.353 29.145 28.738 0.089 0.000 1.201 1122 Q HN 0.642 nan 8.270 nan 0.000 0.391 1123 Y N 5.163 125.561 120.300 0.163 0.000 2.811 1123 Y HA -0.058 4.491 4.550 -0.002 0.000 0.334 1123 Y C -1.450 174.530 175.900 0.133 0.000 1.247 1123 Y CA -1.454 56.766 58.100 0.199 0.000 1.526 1123 Y CB 0.136 38.660 38.460 0.105 0.000 1.284 1123 Y HN 0.694 nan 8.280 nan 0.000 0.586 1124 P HA -0.054 nan 4.420 nan 0.000 0.226 1124 P C -0.358 177.024 177.300 0.137 0.000 1.153 1124 P CA 1.364 64.555 63.100 0.152 0.000 0.777 1124 P CB 0.464 32.225 31.700 0.102 0.000 0.794 1125 D N -1.415 119.088 120.400 0.172 0.000 2.375 1125 D HA 0.099 4.738 4.640 -0.002 0.000 0.241 1125 D C 0.593 177.027 176.300 0.225 0.000 1.361 1125 D CA -0.535 53.556 54.000 0.152 0.000 0.995 1125 D CB 0.612 41.474 40.800 0.104 0.000 1.312 1125 D HN -0.315 nan 8.370 nan 0.000 0.576 1126 R N 1.615 122.219 120.500 0.172 0.000 2.249 1126 R HA -0.128 4.211 4.340 -0.002 0.000 0.230 1126 R C 1.565 177.943 176.300 0.129 0.000 1.121 1126 R CA 1.862 58.030 56.100 0.113 0.000 0.997 1126 R CB 0.201 30.511 30.300 0.018 0.000 0.867 1126 R HN 0.367 nan 8.270 nan 0.000 0.465 1127 S N -0.626 115.165 115.700 0.152 0.000 2.527 1127 S HA 0.066 4.534 4.470 -0.002 0.000 0.222 1127 S C 0.299 175.028 174.600 0.215 0.000 0.985 1127 S CA 0.072 58.376 58.200 0.173 0.000 0.921 1127 S CB 0.317 63.600 63.200 0.138 0.000 0.772 1127 S HN 0.010 nan 8.310 nan 0.000 0.529 1128 K N 1.920 122.436 120.400 0.193 0.000 2.266 1128 K HA 0.363 4.682 4.320 -0.002 0.000 0.274 1128 K C 0.534 177.207 176.600 0.120 0.000 1.090 1128 K CA -0.211 56.161 56.287 0.141 0.000 0.925 1128 K CB 1.208 33.748 32.500 0.068 0.000 1.225 1128 K HN 0.289 nan 8.250 nan 0.000 0.458 1129 L N 1.595 122.813 121.223 -0.008 0.000 2.083 1129 L HA -0.137 4.202 4.340 -0.002 0.000 0.209 1129 L C 0.462 177.185 176.870 -0.244 0.000 1.083 1129 L CA 1.298 56.047 54.840 -0.152 0.000 0.752 1129 L CB -0.203 41.521 42.059 -0.560 0.000 0.899 1129 L HN 0.494 nan 8.230 nan 0.000 0.433 1130 Y N 0.422 120.564 120.300 -0.262 0.000 2.735 1130 Y HA 0.210 4.758 4.550 -0.002 0.000 0.354 1130 Y C 0.153 175.509 175.900 -0.907 0.000 1.288 1130 Y CA -0.695 56.922 58.100 -0.804 0.000 1.836 1130 Y CB -0.741 37.537 38.460 -0.304 0.000 1.920 1130 Y HN -0.141 nan 8.280 nan 0.000 0.438 1131 T N 0.354 114.386 114.554 -0.869 0.000 2.848 1131 T HA 0.766 5.114 4.350 -0.002 0.000 0.285 1131 T C 0.420 174.755 174.700 -0.609 0.000 0.995 1131 T CA -0.212 61.433 62.100 -0.759 0.000 0.970 1131 T CB 1.829 69.983 68.868 -1.190 0.000 0.976 1131 T HN 0.757 nan 8.240 nan 0.000 0.441 1132 G N 2.971 111.489 108.800 -0.469 0.000 2.270 1132 G HA2 -0.016 3.943 3.960 -0.002 0.000 0.268 1132 G HA3 -0.016 3.943 3.960 -0.002 0.000 0.268 1132 G C -1.881 173.080 174.900 0.101 0.000 1.312 1132 G CA -1.007 43.879 45.100 -0.357 0.000 1.050 1132 G HN 0.626 nan 8.290 nan 0.000 0.474 1133 N N 2.252 121.072 118.700 0.200 0.000 2.564 1133 N HA 0.459 5.198 4.740 -0.002 0.000 0.248 1133 N C -2.930 172.597 175.510 0.027 0.000 0.986 1133 N CA -0.939 52.204 53.050 0.155 0.000 0.921 1133 N CB 1.850 40.480 38.487 0.240 0.000 1.136 1133 N HN 0.183 nan 8.380 nan 0.000 0.509 1134 P HA 0.062 nan 4.420 nan 0.000 0.261 1134 P C -0.174 177.071 177.300 -0.092 0.000 1.173 1134 P CA 0.448 63.334 63.100 -0.356 0.000 0.760 1134 P CB 0.677 32.164 31.700 -0.354 0.000 0.783 1135 I N 2.526 123.072 120.570 -0.040 0.000 2.378 1135 I HA 0.224 4.392 4.170 -0.002 0.000 0.291 1135 I C 0.326 176.512 176.117 0.115 0.000 0.992 1135 I CA -0.252 61.092 61.300 0.073 0.000 1.154 1135 I CB 1.691 39.747 38.000 0.094 0.000 1.315 1135 I HN 0.170 nan 8.210 nan 0.000 0.448 1136 T N 6.883 121.508 114.554 0.118 0.000 2.829 1136 T HA 0.569 4.918 4.350 -0.002 0.000 0.282 1136 T C -0.039 174.726 174.700 0.108 0.000 0.990 1136 T CA -0.345 61.822 62.100 0.112 0.000 1.028 1136 T CB 0.998 69.918 68.868 0.087 0.000 0.951 1136 T HN 0.250 nan 8.240 nan 0.000 0.460 1137 I N 3.080 123.739 120.570 0.149 0.000 2.331 1137 I HA 0.403 4.571 4.170 -0.002 0.000 0.292 1137 I C 0.362 176.610 176.117 0.219 0.000 0.998 1137 I CA -0.667 60.718 61.300 0.142 0.000 1.267 1137 I CB 1.068 39.131 38.000 0.104 0.000 1.386 1137 I HN 0.328 nan 8.210 nan 0.000 0.476 1138 K N 5.201 125.645 120.400 0.073 0.000 2.164 1138 K HA 0.439 4.758 4.320 -0.002 0.000 0.258 1138 K C -0.265 176.261 176.600 -0.124 0.000 0.951 1138 K CA -0.532 55.717 56.287 -0.064 0.000 0.844 1138 K CB 1.500 33.824 32.500 -0.293 0.000 1.099 1138 K HN 0.720 nan 8.250 nan 0.000 0.435 1139 S N 2.278 117.608 115.700 -0.616 0.000 2.474 1139 S HA 0.096 4.564 4.470 -0.002 0.000 0.276 1139 S C 1.100 175.476 174.600 -0.373 0.000 1.227 1139 S CA -0.913 56.761 58.200 -0.878 0.000 1.050 1139 S CB 1.367 63.695 63.200 -1.453 0.000 0.939 1139 S HN 0.419 nan 8.310 nan 0.000 0.490 1140 V N 3.411 123.202 119.914 -0.205 0.000 2.548 1140 V HA -0.093 4.026 4.120 -0.002 0.000 0.249 1140 V C 1.984 177.998 176.094 -0.135 0.000 1.055 1140 V CA 1.883 64.106 62.300 -0.128 0.000 1.065 1140 V CB -0.792 30.992 31.823 -0.065 0.000 0.681 1140 V HN 0.946 nan 8.190 nan 0.000 0.462 1141 S N -1.125 114.486 115.700 -0.149 0.000 2.605 1141 S HA 0.086 4.555 4.470 -0.002 0.000 0.217 1141 S C 0.266 174.778 174.600 -0.147 0.000 0.958 1141 S CA -0.014 58.115 58.200 -0.119 0.000 0.919 1141 S CB -0.173 62.979 63.200 -0.081 0.000 0.780 1141 S HN 0.611 nan 8.310 nan 0.000 0.507 1142 D N 1.607 121.883 120.400 -0.206 0.000 2.809 1142 D HA -0.112 4.526 4.640 -0.002 0.000 0.234 1142 D C -0.181 176.001 176.300 -0.196 0.000 1.111 1142 D CA 0.701 54.581 54.000 -0.200 0.000 0.726 1142 D CB -1.173 39.548 40.800 -0.131 0.000 1.089 1142 D HN 0.452 nan 8.370 nan 0.000 0.436 1143 K N 0.413 120.653 120.400 -0.267 0.000 2.276 1143 K HA 0.133 4.452 4.320 -0.002 0.000 0.259 1143 K C 0.833 177.336 176.600 -0.162 0.000 1.001 1143 K CA -0.551 55.626 56.287 -0.183 0.000 0.927 1143 K CB 0.430 32.837 32.500 -0.156 0.000 0.969 1143 K HN 0.067 nan 8.250 nan 0.000 0.490 1144 N N 2.152 120.811 118.700 -0.068 0.000 2.329 1144 N HA -0.004 4.734 4.740 -0.002 0.000 0.237 1144 N C -2.515 172.963 175.510 -0.053 0.000 1.258 1144 N CA -0.917 52.107 53.050 -0.043 0.000 0.866 1144 N CB -0.268 38.223 38.487 0.007 0.000 1.102 1144 N HN 0.249 nan 8.380 nan 0.000 0.440 1145 P HA -0.017 nan 4.420 nan 0.000 0.264 1145 P C -0.405 176.840 177.300 -0.091 0.000 1.193 1145 P CA 0.454 63.409 63.100 -0.241 0.000 0.763 1145 P CB -0.007 31.540 31.700 -0.255 0.000 0.810 1146 Y N -0.533 119.826 120.300 0.098 0.000 4.668 1146 Y HA -0.272 4.277 4.550 -0.002 0.000 0.234 1146 Y C 0.993 176.950 175.900 0.096 0.000 1.056 1146 Y CA 0.840 58.995 58.100 0.092 0.000 2.025 1146 Y CB -2.940 35.542 38.460 0.037 0.000 1.613 1146 Y HN 0.360 nan 8.280 nan 0.000 0.653 1147 S N 0.489 116.340 115.700 0.251 0.000 2.593 1147 S HA 0.527 4.996 4.470 -0.002 0.000 0.269 1147 S C 0.486 175.176 174.600 0.151 0.000 1.334 1147 S CA -0.982 57.339 58.200 0.201 0.000 1.015 1147 S CB 1.151 64.463 63.200 0.186 0.000 0.912 1147 S HN 0.347 nan 8.310 nan 0.000 0.541 1148 R N 0.570 121.089 120.500 0.032 0.000 2.590 1148 R HA 0.290 4.629 4.340 -0.002 0.000 0.274 1148 R C -0.304 175.899 176.300 -0.162 0.000 1.061 1148 R CA 0.062 56.105 56.100 -0.095 0.000 1.081 1148 R CB 0.090 30.326 30.300 -0.105 0.000 0.984 1148 R HN 0.608 nan 8.270 nan 0.000 0.448 1149 I N 4.379 124.725 120.570 -0.375 0.000 2.365 1149 I HA 0.224 4.392 4.170 -0.002 0.000 0.291 1149 I C 0.023 176.001 176.117 -0.232 0.000 1.004 1149 I CA -0.313 60.702 61.300 -0.475 0.000 1.311 1149 I CB 0.821 38.368 38.000 -0.755 0.000 1.401 1149 I HN 0.291 nan 8.210 nan 0.000 0.491 1150 L N 5.029 126.186 121.223 -0.109 0.000 2.319 1150 L HA 0.462 4.800 4.340 -0.002 0.000 0.267 1150 L C 0.005 176.854 176.870 -0.035 0.000 1.011 1150 L CA -1.203 53.599 54.840 -0.064 0.000 0.818 1150 L CB 1.118 43.164 42.059 -0.021 0.000 1.316 1150 L HN 0.474 nan 8.230 nan 0.000 0.432 1151 N N 1.436 120.121 118.700 -0.025 0.000 2.294 1151 N HA 0.081 4.820 4.740 -0.002 0.000 0.263 1151 N C 0.953 176.472 175.510 0.016 0.000 1.281 1151 N CA 1.511 54.564 53.050 0.004 0.000 0.846 1151 N CB 0.658 39.145 38.487 0.001 0.000 1.061 1151 N HN 0.905 nan 8.380 nan 0.000 0.478 1152 G N 1.559 110.379 108.800 0.034 0.000 2.175 1152 G HA2 -0.241 3.717 3.960 -0.002 0.000 0.244 1152 G HA3 -0.241 3.717 3.960 -0.002 0.000 0.244 1152 G C -0.328 174.603 174.900 0.052 0.000 0.982 1152 G CA -0.081 45.041 45.100 0.035 0.000 0.641 1152 G HN 0.591 nan 8.290 nan 0.000 0.527 1153 D N 1.078 121.520 120.400 0.070 0.000 2.304 1153 D HA 0.388 5.027 4.640 -0.002 0.000 0.250 1153 D C 0.404 176.776 176.300 0.120 0.000 1.107 1153 D CA -0.301 53.765 54.000 0.110 0.000 0.885 1153 D CB 0.512 41.424 40.800 0.188 0.000 1.192 1153 D HN 0.118 nan 8.370 nan 0.000 0.436 1154 N N 1.299 120.060 118.700 0.101 0.000 2.497 1154 N HA 0.333 5.072 4.740 -0.002 0.000 0.271 1154 N C -0.153 175.434 175.510 0.129 0.000 1.142 1154 N CA -0.235 52.870 53.050 0.092 0.000 0.965 1154 N CB 0.679 39.189 38.487 0.038 0.000 1.077 1154 N HN 0.369 nan 8.380 nan 0.000 0.462 1155 I N -1.129 119.535 120.570 0.158 0.000 3.042 1155 I HA 0.665 4.834 4.170 -0.002 0.000 0.310 1155 I C -0.767 175.450 176.117 0.166 0.000 1.117 1155 I CA -0.834 60.585 61.300 0.198 0.000 1.003 1155 I CB 1.715 39.858 38.000 0.237 0.000 1.228 1155 I HN 0.274 nan 8.210 nan 0.000 0.443 1156 I N 3.419 124.059 120.570 0.117 0.000 2.689 1156 I HA 0.488 4.657 4.170 -0.002 0.000 0.299 1156 I C -1.128 175.019 176.117 0.050 0.000 1.059 1156 I CA -0.795 60.566 61.300 0.101 0.000 1.055 1156 I CB 2.258 40.261 38.000 0.003 0.000 1.243 1156 I HN 0.444 nan 8.210 nan 0.000 0.425 1157 L N 5.096 126.392 121.223 0.122 0.000 2.313 1157 L HA 0.494 4.833 4.340 -0.002 0.000 0.283 1157 L C -0.768 176.228 176.870 0.210 0.000 1.013 1157 L CA -0.535 54.360 54.840 0.091 0.000 0.816 1157 L CB 1.112 43.191 42.059 0.034 0.000 1.236 1157 L HN 0.525 nan 8.230 nan 0.000 0.419 1158 H N 3.959 123.085 119.070 0.094 0.000 2.481 1158 H HA 0.438 4.993 4.556 -0.002 0.000 0.333 1158 H C -0.615 174.770 175.328 0.096 0.000 1.066 1158 H CA -0.743 55.361 56.048 0.094 0.000 1.209 1158 H CB 2.547 32.354 29.762 0.075 0.000 1.445 1158 H HN 0.495 nan 8.280 nan 0.000 0.488 1159 M N 4.402 124.146 119.600 0.240 0.000 2.300 1159 M HA 0.245 4.724 4.480 -0.002 0.000 0.348 1159 M C -1.446 175.000 176.300 0.243 0.000 1.151 1159 M CA -1.198 54.221 55.300 0.198 0.000 1.046 1159 M CB 0.964 33.658 32.600 0.157 0.000 1.647 1159 M HN 0.428 nan 8.290 nan 0.000 0.451 1160 L N 6.642 127.977 121.223 0.187 0.000 2.261 1160 L HA 0.368 4.707 4.340 -0.002 0.000 0.289 1160 L C -1.902 175.129 176.870 0.269 0.000 1.059 1160 L CA -0.026 54.926 54.840 0.187 0.000 0.816 1160 L CB 0.493 42.605 42.059 0.089 0.000 1.191 1160 L HN 0.674 nan 8.230 nan 0.000 0.431 1161 Y N 5.582 126.008 120.300 0.210 0.000 2.326 1161 Y HA 0.383 4.931 4.550 -0.002 0.000 0.329 1161 Y C 0.287 176.296 175.900 0.182 0.000 0.973 1161 Y CA -1.075 57.131 58.100 0.176 0.000 1.162 1161 Y CB 0.793 39.325 38.460 0.120 0.000 1.147 1161 Y HN 0.746 nan 8.280 nan 0.000 0.456 1162 N N 4.203 122.675 118.700 -0.379 0.000 2.699 1162 N HA -0.251 4.488 4.740 -0.002 0.000 0.256 1162 N C 0.188 175.631 175.510 -0.111 0.000 0.993 1162 N CA 1.626 54.478 53.050 -0.330 0.000 0.759 1162 N CB -1.221 36.931 38.487 -0.558 0.000 0.906 1162 N HN 0.760 nan 8.380 nan 0.000 0.541 1163 S N -2.759 112.920 115.700 -0.036 0.000 3.084 1163 S HA -0.270 4.199 4.470 -0.002 0.000 0.277 1163 S C 0.324 174.921 174.600 -0.005 0.000 1.295 1163 S CA 1.371 59.564 58.200 -0.012 0.000 1.170 1163 S CB -0.507 62.678 63.200 -0.026 0.000 1.412 1163 S HN 0.670 nan 8.310 nan 0.000 0.669 1164 R N 0.590 121.109 120.500 0.032 0.000 2.740 1164 R HA 0.535 4.873 4.340 -0.002 0.000 0.282 1164 R C -0.607 175.639 176.300 -0.089 0.000 0.969 1164 R CA -0.948 55.114 56.100 -0.064 0.000 0.918 1164 R CB 0.940 31.173 30.300 -0.112 0.000 1.175 1164 R HN -0.087 nan 8.270 nan 0.000 0.464 1165 K N 2.359 122.605 120.400 -0.256 0.000 2.156 1165 K HA 0.342 4.660 4.320 -0.002 0.000 0.271 1165 K C -1.047 175.286 176.600 -0.445 0.000 0.995 1165 K CA -0.222 55.946 56.287 -0.199 0.000 0.890 1165 K CB 1.182 33.581 32.500 -0.168 0.000 1.073 1165 K HN 0.458 nan 8.250 nan 0.000 0.454 1166 Y N 0.344 120.615 120.300 -0.050 0.000 2.545 1166 Y HA 0.389 4.938 4.550 -0.002 0.000 0.348 1166 Y C 0.246 176.110 175.900 -0.061 0.000 1.002 1166 Y CA -0.967 57.099 58.100 -0.058 0.000 1.039 1166 Y CB 1.926 40.388 38.460 0.003 0.000 1.271 1166 Y HN 0.422 nan 8.280 nan 0.000 0.467 1167 M N 3.471 123.141 119.600 0.117 0.000 2.188 1167 M HA 0.518 4.997 4.480 -0.002 0.000 0.357 1167 M C -1.362 175.036 176.300 0.163 0.000 1.204 1167 M CA -0.265 55.149 55.300 0.190 0.000 1.095 1167 M CB 0.479 33.178 32.600 0.165 0.000 1.604 1167 M HN 0.628 nan 8.290 nan 0.000 0.464 1168 I N 7.063 127.742 120.570 0.181 0.000 2.396 1168 I HA 0.244 4.412 4.170 -0.002 0.000 0.289 1168 I C -0.180 176.037 176.117 0.166 0.000 1.056 1168 I CA -0.340 61.032 61.300 0.119 0.000 1.365 1168 I CB 0.303 38.339 38.000 0.060 0.000 1.407 1168 I HN 0.678 nan 8.210 nan 0.000 0.509 1169 I N 3.804 124.426 120.570 0.086 0.000 2.892 1169 I HA 0.580 4.749 4.170 -0.002 0.000 0.306 1169 I C -0.279 175.860 176.117 0.037 0.000 1.078 1169 I CA -1.100 60.220 61.300 0.034 0.000 1.032 1169 I CB 1.831 39.779 38.000 -0.087 0.000 1.229 1169 I HN 0.474 nan 8.210 nan 0.000 0.435 1170 R N 2.024 122.511 120.500 -0.023 0.000 2.490 1170 R HA 0.130 4.469 4.340 -0.002 0.000 0.280 1170 R C -0.571 175.698 176.300 -0.052 0.000 1.077 1170 R CA -0.388 55.701 56.100 -0.017 0.000 1.065 1170 R CB 0.734 30.982 30.300 -0.086 0.000 1.003 1170 R HN 0.756 nan 8.270 nan 0.000 0.470 1171 D N 1.199 121.606 120.400 0.011 0.000 2.424 1171 D HA -0.055 4.583 4.640 -0.002 0.000 0.244 1171 D C 1.083 177.423 176.300 0.067 0.000 1.134 1171 D CA 0.287 54.314 54.000 0.046 0.000 0.881 1171 D CB 1.493 42.343 40.800 0.083 0.000 1.191 1171 D HN 0.632 nan 8.370 nan 0.000 0.445 1172 T N 0.154 114.749 114.554 0.069 0.000 2.821 1172 T HA -0.082 4.267 4.350 -0.002 0.000 0.267 1172 T C 0.468 175.286 174.700 0.198 0.000 1.046 1172 T CA 0.527 62.687 62.100 0.101 0.000 1.139 1172 T CB 0.083 69.003 68.868 0.087 0.000 0.871 1172 T HN 0.284 nan 8.240 nan 0.000 0.454 1173 D N 1.931 122.453 120.400 0.203 0.000 2.272 1173 D HA 0.422 5.061 4.640 -0.002 0.000 0.247 1173 D C 0.329 176.736 176.300 0.179 0.000 0.990 1173 D CA -0.318 53.800 54.000 0.195 0.000 0.931 1173 D CB 1.603 42.453 40.800 0.084 0.000 1.195 1173 D HN 0.440 nan 8.370 nan 0.000 0.477 1174 T N -1.999 112.533 114.554 -0.038 0.000 2.828 1174 T HA 0.259 4.607 4.350 -0.002 0.000 0.290 1174 T C 1.776 176.317 174.700 -0.265 0.000 1.019 1174 T CA -0.608 61.287 62.100 -0.342 0.000 1.031 1174 T CB 0.584 69.204 68.868 -0.413 0.000 1.001 1174 T HN 0.299 nan 8.240 nan 0.000 0.531 1175 I N -0.128 120.178 120.570 -0.439 0.000 2.361 1175 I HA -0.061 4.108 4.170 -0.002 0.000 0.251 1175 I C 0.086 175.902 176.117 -0.501 0.000 1.133 1175 I CA 1.304 62.263 61.300 -0.568 0.000 1.413 1175 I CB -0.119 37.326 38.000 -0.925 0.000 1.073 1175 I HN 0.566 nan 8.210 nan 0.000 0.424 1176 Y N -0.272 119.987 120.300 -0.068 0.000 2.524 1176 Y HA 0.619 5.168 4.550 -0.002 0.000 0.344 1176 Y C 0.295 176.172 175.900 -0.039 0.000 1.012 1176 Y CA -2.175 55.905 58.100 -0.034 0.000 1.068 1176 Y CB 0.937 39.392 38.460 -0.008 0.000 1.249 1176 Y HN -0.192 nan 8.280 nan 0.000 0.468 1177 A N 0.842 123.747 122.820 0.142 0.000 2.302 1177 A HA 0.587 4.905 4.320 -0.002 0.000 0.295 1177 A C -0.070 177.546 177.584 0.054 0.000 1.235 1177 A CA -0.162 51.912 52.037 0.061 0.000 0.876 1177 A CB -0.334 18.685 19.000 0.032 0.000 1.133 1177 A HN 0.796 nan 8.150 nan 0.000 0.533 1178 T N 2.485 117.062 114.554 0.038 0.000 3.748 1178 T HA 0.386 4.734 4.350 -0.002 0.000 0.281 1178 T C -0.287 174.425 174.700 0.021 0.000 0.977 1178 T CA 0.019 62.136 62.100 0.027 0.000 1.056 1178 T CB -0.543 68.341 68.868 0.028 0.000 1.138 1178 T HN 0.910 nan 8.240 nan 0.000 0.498 1183 c N 2.885 121.512 118.600 0.045 0.000 2.401 1183 c HA 0.680 5.249 4.570 -0.002 0.000 0.365 1183 c C 1.307 175.431 174.090 0.055 0.000 1.250 1183 c CA 0.605 56.951 56.329 0.028 0.000 2.131 1183 c CB 0.488 42.985 42.510 -0.022 0.000 2.445 1183 c HN 0.854 nan 8.230 nan 0.000 0.550 1184 S N 3.236 118.960 115.700 0.040 0.000 2.817 1184 S HA 0.296 4.764 4.470 -0.002 0.000 0.262 1184 S C -0.273 174.351 174.600 0.040 0.000 1.051 1184 S CA -0.190 58.037 58.200 0.046 0.000 1.185 1184 S CB 0.014 63.231 63.200 0.029 0.000 1.152 1184 S HN 0.838 nan 8.310 nan 0.000 0.653 1185 Q N 1.493 121.311 119.800 0.030 0.000 2.331 1185 Q HA 0.432 4.771 4.340 -0.002 0.000 0.272 1185 Q C -0.918 175.096 176.000 0.022 0.000 1.062 1185 Q CA -0.404 55.415 55.803 0.027 0.000 0.806 1185 Q CB 1.717 30.466 28.738 0.019 0.000 1.312 1185 Q HN 0.260 nan 8.270 nan 0.000 0.431 1186 N N -0.075 118.645 118.700 0.032 0.000 2.721 1186 N HA -0.162 4.576 4.740 -0.002 0.000 0.249 1186 N C -0.730 174.778 175.510 -0.004 0.000 1.072 1186 N CA 0.634 53.703 53.050 0.033 0.000 0.710 1186 N CB -1.892 36.616 38.487 0.036 0.000 0.993 1186 N HN 0.530 nan 8.380 nan 0.000 0.547 1187 c N 0.117 118.695 118.600 -0.036 0.000 2.536 1187 c HA 0.555 5.123 4.570 -0.002 0.000 0.396 1187 c C 1.191 175.115 174.090 -0.277 0.000 1.279 1187 c CA -0.727 55.475 56.329 -0.210 0.000 2.148 1187 c CB 1.035 43.408 42.510 -0.228 0.000 2.584 1187 c HN 0.172 nan 8.230 nan 0.000 0.579 1188 V N 3.020 122.655 119.914 -0.465 0.000 2.531 1188 V HA 0.426 4.544 4.120 -0.002 0.000 0.301 1188 V C -1.059 174.671 176.094 -0.607 0.000 1.034 1188 V CA -0.516 61.530 62.300 -0.423 0.000 0.865 1188 V CB 1.166 32.756 31.823 -0.388 0.000 0.995 1188 V HN 0.807 nan 8.190 nan 0.000 0.424 1189 Y N 2.349 122.548 120.300 -0.168 0.000 2.393 1189 Y HA 0.766 5.314 4.550 -0.002 0.000 0.341 1189 Y C 0.609 176.393 175.900 -0.192 0.000 0.988 1189 Y CA -0.578 57.433 58.100 -0.148 0.000 1.078 1189 Y CB 1.815 40.247 38.460 -0.047 0.000 1.203 1189 Y HN 0.757 nan 8.280 nan 0.000 0.453 1190 A N 3.465 126.244 122.820 -0.068 0.000 2.280 1190 A HA 0.712 5.031 4.320 -0.002 0.000 0.268 1190 A C -0.660 176.898 177.584 -0.043 0.000 1.111 1190 A CA -0.457 51.502 52.037 -0.130 0.000 0.814 1190 A CB 0.333 19.215 19.000 -0.197 0.000 1.093 1190 A HN 0.789 nan 8.150 nan 0.000 0.498 1191 L N -0.199 120.980 121.223 -0.073 0.000 2.330 1191 L HA 0.593 4.932 4.340 -0.002 0.000 0.271 1191 L C -0.004 176.828 176.870 -0.063 0.000 1.013 1191 L CA -0.571 54.242 54.840 -0.045 0.000 0.816 1191 L CB 1.833 43.850 42.059 -0.069 0.000 1.287 1191 L HN 0.796 nan 8.230 nan 0.000 0.435 1192 K N 1.858 122.231 120.400 -0.044 0.000 2.469 1192 K HA 0.709 5.028 4.320 -0.002 0.000 0.268 1192 K C -1.548 175.020 176.600 -0.054 0.000 1.027 1192 K CA -0.904 55.349 56.287 -0.057 0.000 0.893 1192 K CB 2.457 34.932 32.500 -0.041 0.000 1.460 1192 K HN 0.320 nan 8.250 nan 0.000 0.449 1193 L N 1.482 122.657 121.223 -0.080 0.000 2.330 1193 L HA 0.473 4.812 4.340 -0.002 0.000 0.271 1193 L C -0.668 176.204 176.870 0.003 0.000 1.013 1193 L CA -0.781 54.026 54.840 -0.055 0.000 0.816 1193 L CB 1.923 43.847 42.059 -0.225 0.000 1.287 1193 L HN 0.670 nan 8.230 nan 0.000 0.435 1194 Q N -0.247 119.601 119.800 0.080 0.000 2.345 1194 Q HA 0.368 4.706 4.340 -0.002 0.000 0.275 1194 Q C -0.269 175.820 176.000 0.149 0.000 1.063 1194 Q CA -0.659 55.190 55.803 0.077 0.000 0.819 1194 Q CB 2.063 30.772 28.738 -0.049 0.000 1.356 1194 Q HN 0.631 nan 8.270 nan 0.000 0.418 1195 S N 1.708 117.484 115.700 0.127 0.000 2.470 1195 S HA 0.035 4.503 4.470 -0.002 0.000 0.225 1195 S C 0.313 174.879 174.600 -0.056 0.000 1.006 1195 S CA 0.208 58.409 58.200 0.001 0.000 0.934 1195 S CB -0.237 62.953 63.200 -0.018 0.000 0.778 1195 S HN 0.625 nan 8.310 nan 0.000 0.517 1196 N N 2.639 121.322 118.700 -0.028 0.000 2.416 1196 N HA 0.318 5.057 4.740 -0.002 0.000 0.265 1196 N C -1.112 174.424 175.510 0.043 0.000 1.195 1196 N CA -0.028 53.020 53.050 -0.004 0.000 0.943 1196 N CB 0.347 38.829 38.487 -0.008 0.000 1.115 1196 N HN 0.213 nan 8.380 nan 0.000 0.481 1197 L N 1.525 122.772 121.223 0.040 0.000 2.334 1197 L HA 0.734 5.072 4.340 -0.002 0.000 0.277 1197 L C 1.202 178.181 176.870 0.181 0.000 1.075 1197 L CA -0.112 54.774 54.840 0.077 0.000 0.804 1197 L CB 0.741 42.767 42.059 -0.055 0.000 1.174 1197 L HN 0.675 nan 8.230 nan 0.000 0.438 1198 G N 1.779 110.714 108.800 0.224 0.000 2.321 1198 G HA2 0.077 4.036 3.960 -0.002 0.000 0.298 1198 G HA3 0.077 4.036 3.960 -0.002 0.000 0.298 1198 G C -1.351 173.525 174.900 -0.039 0.000 1.385 1198 G CA -0.959 44.172 45.100 0.052 0.000 0.856 1198 G HN 0.366 nan 8.290 nan 0.000 0.584 1199 N N 0.546 119.099 118.700 -0.245 0.000 2.448 1199 N HA 0.421 5.159 4.740 -0.002 0.000 0.250 1199 N C -1.358 173.908 175.510 -0.407 0.000 1.136 1199 N CA 0.271 53.191 53.050 -0.217 0.000 0.953 1199 N CB 0.183 38.564 38.487 -0.175 0.000 1.251 1199 N HN 0.370 nan 8.380 nan 0.000 0.502 1200 Y N -0.848 119.401 120.300 -0.084 0.000 2.341 1200 Y HA 0.343 4.891 4.550 -0.002 0.000 0.338 1200 Y C 1.624 177.379 175.900 -0.241 0.000 0.965 1200 Y CA -0.951 57.064 58.100 -0.141 0.000 1.108 1200 Y CB 1.808 40.173 38.460 -0.159 0.000 1.180 1200 Y HN 0.497 nan 8.280 nan 0.000 0.458 1201 G N 2.529 111.267 108.800 -0.104 0.000 2.475 1201 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.220 1201 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.220 1201 G C 1.454 175.936 174.900 -0.696 0.000 1.125 1201 G CA 0.825 45.820 45.100 -0.175 0.000 0.755 1201 G HN 0.803 nan 8.290 nan 0.000 0.565 1202 I N 0.764 120.573 120.570 -1.269 0.000 2.916 1202 I HA 0.057 4.225 4.170 -0.002 0.000 0.267 1202 I C 2.106 177.803 176.117 -0.699 0.000 1.263 1202 I CA 0.957 61.381 61.300 -1.460 0.000 1.471 1202 I CB 0.091 37.361 38.000 -1.217 0.000 1.089 1202 I HN 0.176 nan 8.210 nan 0.000 0.468 1203 G N 0.408 108.927 108.800 -0.469 0.000 3.377 1203 G HA2 0.310 4.269 3.960 -0.002 0.000 0.257 1203 G HA3 0.310 4.269 3.960 -0.002 0.000 0.257 1203 G C 0.340 175.035 174.900 -0.342 0.000 1.038 1203 G CA -0.287 44.643 45.100 -0.283 0.000 0.809 1203 G HN 0.202 nan 8.290 nan 0.000 0.526 1204 I N 1.365 121.648 120.570 -0.479 0.000 2.331 1204 I HA 0.479 4.647 4.170 -0.002 0.000 0.292 1204 I C -0.576 175.218 176.117 -0.538 0.000 0.998 1204 I CA -0.549 60.564 61.300 -0.312 0.000 1.267 1204 I CB 1.164 39.075 38.000 -0.148 0.000 1.386 1204 I HN -0.109 nan 8.210 nan 0.000 0.476 1205 F N 3.106 123.070 119.950 0.023 0.000 2.639 1205 F HA 0.615 5.140 4.527 -0.002 0.000 0.339 1205 F C 0.309 176.153 175.800 0.075 0.000 1.071 1205 F CA -0.769 57.256 58.000 0.042 0.000 0.994 1205 F CB 1.820 40.818 39.000 -0.003 0.000 1.341 1205 F HN 0.249 nan 8.300 nan 0.000 0.498 1206 S N 0.490 116.390 115.700 0.333 0.000 2.540 1206 S HA 0.781 5.250 4.470 -0.002 0.000 0.275 1206 S C -1.330 173.440 174.600 0.284 0.000 1.123 1206 S CA -0.470 57.880 58.200 0.251 0.000 0.907 1206 S CB 0.888 64.213 63.200 0.207 0.000 1.081 1206 S HN 0.460 nan 8.310 nan 0.000 0.476 1207 I N 3.140 123.822 120.570 0.188 0.000 2.474 1207 I HA 0.553 4.721 4.170 -0.002 0.000 0.294 1207 I C -0.335 175.885 176.117 0.172 0.000 1.005 1207 I CA -0.657 60.739 61.300 0.160 0.000 1.113 1207 I CB 2.052 40.061 38.000 0.014 0.000 1.289 1207 I HN 0.481 nan 8.210 nan 0.000 0.436 1208 K N 4.766 125.311 120.400 0.242 0.000 2.507 1208 K HA 0.370 4.689 4.320 -0.002 0.000 0.251 1208 K C -0.875 175.814 176.600 0.149 0.000 0.943 1208 K CA -0.738 55.670 56.287 0.201 0.000 0.794 1208 K CB 1.240 33.916 32.500 0.292 0.000 1.188 1208 K HN 0.467 nan 8.250 nan 0.000 0.428 1209 N N 3.347 122.092 118.700 0.074 0.000 2.407 1209 N HA 0.016 4.755 4.740 -0.002 0.000 0.250 1209 N C -0.325 175.196 175.510 0.017 0.000 1.236 1209 N CA 0.298 53.374 53.050 0.043 0.000 0.879 1209 N CB 0.414 38.914 38.487 0.022 0.000 1.088 1209 N HN 0.482 nan 8.380 nan 0.000 0.450 1210 I N 2.169 122.704 120.570 -0.058 0.000 2.353 1210 I HA 0.136 4.304 4.170 -0.002 0.000 0.293 1210 I C 0.068 176.117 176.117 -0.113 0.000 0.992 1210 I CA -0.678 60.521 61.300 -0.168 0.000 1.268 1210 I CB 1.357 39.041 38.000 -0.526 0.000 1.387 1210 I HN 0.069 nan 8.210 nan 0.000 0.478 1211 V N 6.093 125.965 119.914 -0.070 0.000 2.387 1211 V HA 0.246 4.365 4.120 -0.002 0.000 0.260 1211 V C 0.420 176.497 176.094 -0.028 0.000 1.054 1211 V CA 0.185 62.468 62.300 -0.028 0.000 0.967 1211 V CB 0.588 32.412 31.823 0.001 0.000 1.036 1211 V HN 0.833 nan 8.190 nan 0.000 0.481 1212 S N 4.201 119.890 115.700 -0.018 0.000 2.543 1212 S HA 0.441 4.910 4.470 -0.002 0.000 0.271 1212 S C 0.319 174.938 174.600 0.031 0.000 1.148 1212 S CA -0.819 57.379 58.200 -0.003 0.000 0.914 1212 S CB 1.870 65.038 63.200 -0.053 0.000 1.096 1212 S HN 0.675 nan 8.310 nan 0.000 0.471 1213 K N 1.814 122.261 120.400 0.078 0.000 2.305 1213 K HA 0.044 4.362 4.320 -0.002 0.000 0.199 1213 K C 1.125 177.793 176.600 0.113 0.000 1.047 1213 K CA 0.850 57.212 56.287 0.126 0.000 0.976 1213 K CB -0.043 32.508 32.500 0.085 0.000 0.765 1213 K HN 0.712 nan 8.250 nan 0.000 0.474 1214 N N 0.945 119.690 118.700 0.075 0.000 2.205 1214 N HA 0.004 4.742 4.740 -0.002 0.000 0.201 1214 N C -0.665 174.814 175.510 -0.053 0.000 1.128 1214 N CA -0.054 53.045 53.050 0.082 0.000 0.867 1214 N CB 0.485 39.018 38.487 0.076 0.000 0.996 1214 N HN -0.057 nan 8.380 nan 0.000 0.503 1215 K N -0.072 120.277 120.400 -0.086 0.000 2.498 1215 K HA 0.261 4.580 4.320 -0.002 0.000 0.254 1215 K C -1.725 174.791 176.600 -0.140 0.000 0.933 1215 K CA -0.606 55.630 56.287 -0.085 0.000 0.806 1215 K CB 1.514 34.014 32.500 0.001 0.000 1.301 1215 K HN -0.151 nan 8.250 nan 0.000 0.432 1216 Y N 1.448 121.781 120.300 0.055 0.000 2.676 1216 Y HA 0.281 4.830 4.550 -0.002 0.000 0.338 1216 Y C -0.273 175.676 175.900 0.083 0.000 1.057 1216 Y CA -0.442 57.705 58.100 0.077 0.000 1.314 1216 Y CB 0.526 39.043 38.460 0.095 0.000 1.164 1216 Y HN 0.522 nan 8.280 nan 0.000 0.509 1217 C N 0.193 119.586 119.300 0.155 0.000 3.080 1217 C HA 0.849 5.308 4.460 -0.002 0.000 0.307 1217 C C -0.277 174.758 174.990 0.075 0.000 1.311 1217 C CA -0.888 58.196 59.018 0.111 0.000 1.533 1217 C CB 1.910 29.635 27.740 -0.024 0.000 1.970 1217 C HN 0.653 nan 8.230 nan 0.000 0.467 1218 S N -0.139 115.660 115.700 0.166 0.000 2.579 1218 S HA 0.537 5.006 4.470 -0.002 0.000 0.272 1218 S C -1.555 173.195 174.600 0.249 0.000 1.141 1218 S CA -0.589 57.721 58.200 0.184 0.000 0.843 1218 S CB 1.669 65.031 63.200 0.270 0.000 1.122 1218 S HN 0.771 nan 8.310 nan 0.000 0.468 1219 Q N 0.746 120.665 119.800 0.199 0.000 2.226 1219 Q HA 0.664 5.002 4.340 -0.002 0.000 0.256 1219 Q C -1.047 174.903 176.000 -0.084 0.000 0.962 1219 Q CA -0.466 55.392 55.803 0.091 0.000 0.887 1219 Q CB 1.601 30.336 28.738 -0.006 0.000 1.282 1219 Q HN 0.517 nan 8.270 nan 0.000 0.449 1220 I N 1.845 122.193 120.570 -0.370 0.000 2.498 1220 I HA 0.445 4.613 4.170 -0.002 0.000 0.290 1220 I C -1.129 174.666 176.117 -0.537 0.000 1.032 1220 I CA -0.538 60.573 61.300 -0.315 0.000 1.073 1220 I CB 1.052 38.805 38.000 -0.410 0.000 1.251 1220 I HN 0.447 nan 8.210 nan 0.000 0.426 1221 F N 2.977 122.994 119.950 0.112 0.000 2.593 1221 F HA 0.611 5.137 4.527 -0.003 0.000 0.320 1221 F C 0.264 176.197 175.800 0.222 0.000 1.060 1221 F CA -0.788 57.277 58.000 0.108 0.000 0.940 1221 F CB 2.195 41.235 39.000 0.068 0.000 1.268 1221 F HN 0.287 nan 8.300 nan 0.000 0.475 1222 S N -0.246 115.672 115.700 0.362 0.000 2.536 1222 S HA 0.525 4.994 4.470 -0.002 0.000 0.287 1222 S C -0.122 174.586 174.600 0.180 0.000 1.101 1222 S CA -0.270 58.036 58.200 0.177 0.000 0.950 1222 S CB 1.334 64.561 63.200 0.045 0.000 1.056 1222 S HN 0.700 nan 8.310 nan 0.000 0.481 1223 S N 3.347 119.119 115.700 0.121 0.000 2.650 1223 S HA 0.296 4.765 4.470 -0.002 0.000 0.240 1223 S C -0.069 174.586 174.600 0.091 0.000 1.007 1223 S CA -0.425 57.843 58.200 0.112 0.000 0.984 1223 S CB -0.415 62.837 63.200 0.085 0.000 0.910 1223 S HN 0.637 nan 8.310 nan 0.000 0.509 1224 F N 4.197 124.098 119.950 -0.082 0.000 2.519 1224 F HA 0.374 4.899 4.527 -0.002 0.000 0.375 1224 F C 1.346 177.089 175.800 -0.095 0.000 1.084 1224 F CA -0.158 57.778 58.000 -0.106 0.000 1.147 1224 F CB -0.128 38.767 39.000 -0.174 0.000 1.088 1224 F HN 0.253 nan 8.300 nan 0.000 0.555 1225 R N 0.998 121.142 120.500 -0.594 0.000 1.706 1225 R HA -0.233 4.105 4.340 -0.002 0.000 0.091 1225 R C -0.449 175.736 176.300 -0.192 0.000 0.932 1225 R CA 1.906 57.711 56.100 -0.491 0.000 1.944 1225 R CB -1.075 28.830 30.300 -0.659 0.000 0.506 1225 R HN 0.563 nan 8.270 nan 0.000 0.707 1226 E N 0.877 121.022 120.200 -0.093 0.000 2.356 1226 E HA 0.315 4.664 4.350 -0.002 0.000 0.275 1226 E C -1.258 175.403 176.600 0.101 0.000 0.904 1226 E CA -0.854 55.563 56.400 0.028 0.000 0.757 1226 E CB 1.391 31.157 29.700 0.109 0.000 1.232 1226 E HN 0.078 nan 8.360 nan 0.000 0.442 1227 N N 1.405 120.194 118.700 0.149 0.000 2.442 1227 N HA 0.223 4.961 4.740 -0.002 0.000 0.265 1227 N C -0.474 175.292 175.510 0.426 0.000 1.138 1227 N CA 0.228 53.435 53.050 0.262 0.000 0.956 1227 N CB 0.751 39.383 38.487 0.241 0.000 1.067 1227 N HN 0.459 nan 8.380 nan 0.000 0.474 1228 T N -1.096 113.717 114.554 0.431 0.000 2.901 1228 T HA 0.683 5.031 4.350 -0.002 0.000 0.293 1228 T C -0.262 174.536 174.700 0.163 0.000 1.084 1228 T CA -0.999 61.343 62.100 0.403 0.000 1.008 1228 T CB 1.753 70.796 68.868 0.291 0.000 1.170 1228 T HN 0.372 nan 8.240 nan 0.000 0.509 1229 M N 2.068 121.577 119.600 -0.153 0.000 2.464 1229 M HA 0.564 5.042 4.480 -0.002 0.000 0.308 1229 M C -1.745 174.451 176.300 -0.174 0.000 1.127 1229 M CA -1.093 53.920 55.300 -0.479 0.000 0.913 1229 M CB 1.636 33.636 32.600 -0.999 0.000 1.689 1229 M HN 0.638 nan 8.290 nan 0.000 0.445 1230 L N 5.706 126.836 121.223 -0.155 0.000 2.331 1230 L HA 0.456 4.795 4.340 -0.002 0.000 0.278 1230 L C -0.722 176.338 176.870 0.317 0.000 1.106 1230 L CA -0.684 54.187 54.840 0.051 0.000 0.824 1230 L CB 0.617 42.577 42.059 -0.164 0.000 1.142 1230 L HN 0.707 nan 8.230 nan 0.000 0.443 1231 L N 1.992 123.411 121.223 0.326 0.000 2.510 1231 L HA 1.035 5.374 4.340 -0.002 0.000 0.252 1231 L C -0.873 176.170 176.870 0.288 0.000 1.091 1231 L CA -0.787 54.208 54.840 0.259 0.000 0.888 1231 L CB 1.748 43.869 42.059 0.103 0.000 1.507 1231 L HN 0.468 nan 8.230 nan 0.000 0.407 1232 A N 0.006 122.905 122.820 0.132 0.000 2.371 1232 A HA 0.892 5.211 4.320 -0.002 0.000 0.311 1232 A C -1.337 176.437 177.584 0.316 0.000 1.068 1232 A CA -0.126 52.051 52.037 0.233 0.000 0.744 1232 A CB 1.120 20.224 19.000 0.172 0.000 1.239 1232 A HN 0.846 nan 8.150 nan 0.000 0.435 1233 D N 0.420 121.027 120.400 0.345 0.000 2.779 1233 D HA 0.247 4.886 4.640 -0.002 0.000 0.331 1233 D C -1.252 175.085 176.300 0.062 0.000 1.331 1233 D CA -0.377 53.760 54.000 0.230 0.000 0.866 1233 D CB 1.235 42.080 40.800 0.075 0.000 1.409 1233 D HN 0.525 nan 8.370 nan 0.000 0.486 1234 I N 1.923 122.391 120.570 -0.170 0.000 2.416 1234 I HA 0.339 4.508 4.170 -0.002 0.000 0.288 1234 I C -1.063 174.747 176.117 -0.513 0.000 1.051 1234 I CA -0.034 61.082 61.300 -0.306 0.000 1.375 1234 I CB 0.024 37.836 38.000 -0.314 0.000 1.407 1234 I HN 0.270 nan 8.210 nan 0.000 0.516 1235 Y N 5.245 125.485 120.300 -0.101 0.000 2.677 1235 Y HA 0.426 4.975 4.550 -0.002 0.000 0.334 1235 Y C -0.687 175.198 175.900 -0.025 0.000 1.154 1235 Y CA -1.070 57.012 58.100 -0.029 0.000 1.070 1235 Y CB 1.443 39.848 38.460 -0.091 0.000 1.294 1235 Y HN 0.280 nan 8.280 nan 0.000 0.475 1236 K N 2.911 123.494 120.400 0.305 0.000 2.419 1236 K HA 0.280 4.598 4.320 -0.002 0.000 0.244 1236 K C -2.361 174.315 176.600 0.127 0.000 1.045 1236 K CA -1.528 54.910 56.287 0.251 0.000 1.004 1236 K CB 1.247 33.976 32.500 0.381 0.000 1.376 1236 K HN 0.287 nan 8.250 nan 0.000 0.460 1237 P HA 0.002 nan 4.420 nan 0.000 0.261 1237 P C -0.545 176.532 177.300 -0.371 0.000 1.268 1237 P CA 0.036 62.892 63.100 -0.408 0.000 0.833 1237 P CB 0.435 31.739 31.700 -0.660 0.000 1.231 1238 W N 0.879 122.203 121.300 0.039 0.000 2.449 1238 W HA 0.317 4.976 4.660 -0.002 0.000 0.331 1238 W C 1.377 177.894 176.519 -0.002 0.000 1.119 1238 W CA -0.600 56.764 57.345 0.031 0.000 1.240 1238 W CB 0.978 30.467 29.460 0.047 0.000 1.251 1238 W HN -0.110 nan 8.180 nan 0.000 0.576 1239 R N 1.094 121.716 120.500 0.203 0.000 2.200 1239 R HA 0.013 4.352 4.340 -0.002 0.000 0.208 1239 R C 0.664 176.727 176.300 -0.395 0.000 1.033 1239 R CA 0.775 56.797 56.100 -0.129 0.000 1.000 1239 R CB -0.064 30.101 30.300 -0.225 0.000 0.906 1239 R HN 0.331 nan 8.270 nan 0.000 0.462 1240 F N -0.343 119.635 119.950 0.047 0.000 2.764 1240 F HA 0.293 4.819 4.527 -0.002 0.000 0.310 1240 F C 0.299 176.025 175.800 -0.122 0.000 1.124 1240 F CA -0.328 57.636 58.000 -0.059 0.000 1.252 1240 F CB 0.844 39.814 39.000 -0.049 0.000 1.010 1240 F HN -0.254 nan 8.300 nan 0.000 0.518 1241 S N -0.973 114.741 115.700 0.022 0.000 2.537 1241 S HA 0.439 4.908 4.470 -0.002 0.000 0.270 1241 S C -0.396 174.226 174.600 0.037 0.000 1.142 1241 S CA -0.369 57.815 58.200 -0.026 0.000 0.870 1241 S CB 0.626 63.818 63.200 -0.013 0.000 1.112 1241 S HN 0.017 nan 8.310 nan 0.000 0.466 1242 F N 2.095 122.122 119.950 0.130 0.000 2.732 1242 F HA 0.417 4.943 4.527 -0.002 0.000 0.303 1242 F C 1.333 177.220 175.800 0.145 0.000 1.110 1242 F CA -0.184 57.888 58.000 0.119 0.000 1.355 1242 F CB -0.011 39.023 39.000 0.057 0.000 1.081 1242 F HN 0.479 nan 8.300 nan 0.000 0.565 1243 K N 1.527 122.137 120.400 0.351 0.000 2.436 1243 K HA 0.010 4.328 4.320 -0.002 0.000 0.275 1243 K C 0.215 177.041 176.600 0.377 0.000 0.999 1243 K CA -0.174 56.298 56.287 0.309 0.000 0.980 1243 K CB 0.362 32.991 32.500 0.215 0.000 0.919 1243 K HN 0.011 nan 8.250 nan 0.000 0.484 1244 N N 1.089 119.915 118.700 0.209 0.000 2.483 1244 N HA 0.350 5.089 4.740 -0.002 0.000 0.269 1244 N C -0.947 174.611 175.510 0.080 0.000 1.209 1244 N CA -0.139 52.964 53.050 0.088 0.000 0.969 1244 N CB 1.572 40.029 38.487 -0.050 0.000 1.173 1244 N HN 0.643 nan 8.380 nan 0.000 0.475 1245 A N 0.967 123.731 122.820 -0.094 0.000 2.574 1245 A HA 0.461 4.780 4.320 -0.002 0.000 0.297 1245 A C -1.660 175.756 177.584 -0.279 0.000 1.062 1245 A CA -0.654 51.291 52.037 -0.155 0.000 0.686 1245 A CB 0.602 19.467 19.000 -0.226 0.000 1.285 1245 A HN 0.518 nan 8.150 nan 0.000 0.403 1246 Y N 1.403 121.608 120.300 -0.157 0.000 2.480 1246 Y HA 0.411 4.960 4.550 -0.002 0.000 0.341 1246 Y C 0.737 176.516 175.900 -0.200 0.000 1.031 1246 Y CA 0.747 58.674 58.100 -0.289 0.000 1.295 1246 Y CB 0.817 38.936 38.460 -0.569 0.000 1.162 1246 Y HN 0.510 nan 8.280 nan 0.000 0.523 1247 T N 6.534 121.113 114.554 0.043 0.000 2.841 1247 T HA 0.329 4.678 4.350 -0.002 0.000 0.285 1247 T C -2.875 171.877 174.700 0.086 0.000 0.991 1247 T CA -1.950 60.157 62.100 0.012 0.000 0.966 1247 T CB 1.711 70.550 68.868 -0.047 0.000 0.962 1247 T HN 0.209 nan 8.240 nan 0.000 0.438 1248 P HA 0.340 nan 4.420 nan 0.000 0.276 1248 P C -0.635 176.674 177.300 0.014 0.000 1.253 1248 P CA -0.368 62.831 63.100 0.165 0.000 0.766 1248 P CB 0.679 32.465 31.700 0.143 0.000 0.845 1249 V N 0.309 120.238 119.914 0.026 0.000 3.040 1249 V HA 0.910 5.029 4.120 -0.002 0.000 0.312 1249 V C -0.539 175.565 176.094 0.017 0.000 1.115 1249 V CA -1.662 60.588 62.300 -0.084 0.000 0.998 1249 V CB 1.863 33.478 31.823 -0.346 0.000 1.042 1249 V HN 0.529 nan 8.190 nan 0.000 0.433 1250 A N 2.781 125.641 122.820 0.067 0.000 2.252 1250 A HA 0.804 5.123 4.320 -0.002 0.000 0.309 1250 A C -0.115 177.594 177.584 0.209 0.000 1.285 1250 A CA -0.173 51.958 52.037 0.157 0.000 0.900 1250 A CB 0.615 19.746 19.000 0.217 0.000 1.157 1250 A HN 2.142 nan 8.150 nan 0.000 0.536 1251 V N 1.520 121.542 119.914 0.180 0.000 2.581 1251 V HA 0.865 4.984 4.120 -0.002 0.000 0.303 1251 V C 0.251 176.542 176.094 0.329 0.000 1.041 1251 V CA -0.031 62.387 62.300 0.197 0.000 0.907 1251 V CB 1.018 32.938 31.823 0.161 0.000 0.994 1251 V HN 1.016 nan 8.190 nan 0.000 0.442 1252 T N 0.849 115.573 114.554 0.283 0.000 2.847 1252 T HA 0.424 4.773 4.350 -0.002 0.000 0.279 1252 T C 0.305 175.135 174.700 0.218 0.000 0.984 1252 T CA 0.236 62.513 62.100 0.295 0.000 0.988 1252 T CB 0.160 69.150 68.868 0.203 0.000 1.040 1252 T HN 1.269 nan 8.240 nan 0.000 0.528 1253 N N 0.147 118.894 118.700 0.078 0.000 2.696 1253 N HA -0.208 4.530 4.740 -0.002 0.000 0.256 1253 N C -0.171 175.354 175.510 0.025 0.000 1.031 1253 N CA 0.909 53.943 53.050 -0.026 0.000 0.730 1253 N CB -1.683 36.816 38.487 0.021 0.000 0.894 1253 N HN 0.833 nan 8.380 nan 0.000 0.544 1254 Y N -2.326 118.049 120.300 0.126 0.000 2.493 1254 Y HA 0.445 4.994 4.550 -0.003 0.000 0.275 1254 Y C 1.409 177.389 175.900 0.134 0.000 1.183 1254 Y CA -0.629 57.554 58.100 0.138 0.000 1.258 1254 Y CB 0.110 38.680 38.460 0.183 0.000 1.108 1254 Y HN -0.007 nan 8.280 nan 0.000 0.521 1255 E N 1.276 121.465 120.200 -0.017 0.000 2.097 1255 E HA -0.194 4.155 4.350 -0.002 0.000 0.196 1255 E C 2.139 178.811 176.600 0.120 0.000 1.000 1255 E CA 2.579 59.006 56.400 0.045 0.000 0.804 1255 E CB -0.418 29.264 29.700 -0.030 0.000 0.740 1255 E HN 0.641 nan 8.360 nan 0.000 0.454 1256 T N -1.836 112.778 114.554 0.100 0.000 3.160 1256 T HA 0.056 4.404 4.350 -0.002 0.000 0.257 1256 T C 1.247 176.008 174.700 0.103 0.000 1.147 1256 T CA 0.370 62.522 62.100 0.087 0.000 1.064 1256 T CB 0.139 69.043 68.868 0.059 0.000 0.949 1256 T HN -0.111 nan 8.240 nan 0.000 0.526 1257 K N 0.371 120.866 120.400 0.158 0.000 2.358 1257 K HA 0.399 4.718 4.320 -0.002 0.000 0.200 1257 K C 1.603 178.300 176.600 0.162 0.000 1.030 1257 K CA -0.101 56.268 56.287 0.136 0.000 1.097 1257 K CB 0.117 32.713 32.500 0.161 0.000 0.862 1257 K HN 0.381 nan 8.250 nan 0.000 0.534 1258 L N 0.403 121.763 121.223 0.230 0.000 2.265 1258 L HA -0.062 4.277 4.340 -0.002 0.000 0.215 1258 L C 1.569 178.603 176.870 0.273 0.000 1.117 1258 L CA 1.104 56.117 54.840 0.288 0.000 0.782 1258 L CB -0.115 42.123 42.059 0.298 0.000 0.914 1258 L HN 0.073 nan 8.230 nan 0.000 0.441 1259 L N -1.803 119.525 121.223 0.174 0.000 2.728 1259 L HA 0.149 4.487 4.340 -0.002 0.000 0.238 1259 L C 0.992 177.835 176.870 -0.046 0.000 1.143 1259 L CA -0.237 54.705 54.840 0.170 0.000 0.937 1259 L CB 0.467 42.603 42.059 0.127 0.000 1.225 1259 L HN 0.001 nan 8.230 nan 0.000 0.507 1260 S N 0.008 115.615 115.700 -0.155 0.000 2.505 1260 S HA 0.059 4.528 4.470 -0.002 0.000 0.276 1260 S C 1.570 175.664 174.600 -0.843 0.000 1.274 1260 S CA -0.142 57.854 58.200 -0.341 0.000 1.053 1260 S CB 0.926 64.014 63.200 -0.187 0.000 0.919 1260 S HN 0.426 nan 8.310 nan 0.000 0.490 1261 T N 2.010 116.028 114.554 -0.894 0.000 2.929 1261 T HA -0.136 4.213 4.350 -0.002 0.000 0.271 1261 T C 1.928 176.141 174.700 -0.812 0.000 1.085 1261 T CA 1.278 62.669 62.100 -1.182 0.000 1.125 1261 T CB -0.758 67.752 68.868 -0.596 0.000 0.874 1261 T HN 0.757 nan 8.240 nan 0.000 0.494 1262 S N 2.105 117.472 115.700 -0.555 0.000 2.469 1262 S HA -0.085 4.383 4.470 -0.002 0.000 0.238 1262 S C 1.989 176.333 174.600 -0.427 0.000 0.998 1262 S CA 0.884 58.840 58.200 -0.408 0.000 0.957 1262 S CB -0.764 62.313 63.200 -0.204 0.000 0.764 1262 S HN 0.754 nan 8.310 nan 0.000 0.514 1263 S N -0.334 115.115 115.700 -0.420 0.000 2.540 1263 S HA 0.411 4.880 4.470 -0.002 0.000 0.218 1263 S C -0.224 174.333 174.600 -0.072 0.000 0.977 1263 S CA -0.830 57.260 58.200 -0.183 0.000 0.918 1263 S CB -0.363 62.830 63.200 -0.011 0.000 0.806 1263 S HN 0.281 nan 8.310 nan 0.000 0.496 1264 F N 1.774 121.447 119.950 -0.462 0.000 2.408 1264 F HA 0.646 5.171 4.527 -0.003 0.000 0.344 1264 F C -0.316 175.146 175.800 -0.563 0.000 1.112 1264 F CA -2.423 55.382 58.000 -0.325 0.000 1.096 1264 F CB 0.242 39.129 39.000 -0.188 0.000 1.129 1264 F HN 0.193 nan 8.300 nan 0.000 0.486 1265 W N 2.431 123.770 121.300 0.065 0.000 2.761 1265 W HA 0.671 5.329 4.660 -0.002 0.000 0.340 1265 W C -0.694 175.715 176.519 -0.183 0.000 1.072 1265 W CA -0.767 56.490 57.345 -0.146 0.000 1.215 1265 W CB 1.807 31.079 29.460 -0.313 0.000 1.420 1265 W HN 0.267 nan 8.180 nan 0.000 0.519 1266 K N 1.623 121.989 120.400 -0.055 0.000 2.318 1266 K HA 0.639 4.957 4.320 -0.002 0.000 0.249 1266 K C -1.485 174.965 176.600 -0.249 0.000 0.942 1266 K CA -0.948 55.334 56.287 -0.009 0.000 0.808 1266 K CB 1.837 34.406 32.500 0.116 0.000 1.189 1266 K HN 0.172 nan 8.250 nan 0.000 0.428 1267 F N 2.635 122.600 119.950 0.025 0.000 2.366 1267 F HA 0.408 4.934 4.527 -0.003 0.000 0.366 1267 F C -0.072 175.798 175.800 0.117 0.000 1.096 1267 F CA -0.779 57.197 58.000 -0.041 0.000 1.060 1267 F CB 0.508 39.230 39.000 -0.463 0.000 1.282 1267 F HN 0.185 nan 8.300 nan 0.000 0.450 1268 I N 3.428 124.185 120.570 0.312 0.000 2.301 1268 I HA 0.209 4.378 4.170 -0.002 0.000 0.292 1268 I C 0.387 176.904 176.117 0.665 0.000 1.046 1268 I CA -0.335 61.151 61.300 0.310 0.000 1.282 1268 I CB 0.589 38.631 38.000 0.069 0.000 1.409 1268 I HN 0.556 nan 8.210 nan 0.000 0.484 1269 S N 6.280 122.444 115.700 0.773 0.000 2.616 1269 S HA 0.446 4.915 4.470 -0.002 0.000 0.277 1269 S C 0.174 175.112 174.600 0.564 0.000 1.234 1269 S CA -1.009 57.512 58.200 0.535 0.000 1.028 1269 S CB 1.309 64.775 63.200 0.443 0.000 0.988 1269 S HN 0.526 nan 8.310 nan 0.000 0.522 1270 R N 2.085 122.648 120.500 0.105 0.000 2.357 1270 R HA 0.159 4.498 4.340 -0.002 0.000 0.330 1270 R C -0.449 175.890 176.300 0.066 0.000 1.102 1270 R CA 0.088 56.083 56.100 -0.175 0.000 0.974 1270 R CB -0.140 29.966 30.300 -0.323 0.000 1.002 1270 R HN 0.681 nan 8.270 nan 0.000 0.463 1271 D N 3.926 124.435 120.400 0.182 0.000 2.185 1271 D HA 0.188 4.826 4.640 -0.002 0.000 0.247 1271 D C -1.605 174.720 176.300 0.041 0.000 1.027 1271 D CA -2.166 51.819 54.000 -0.025 0.000 0.861 1271 D CB 2.213 42.695 40.800 -0.530 0.000 1.202 1271 D HN 0.158 nan 8.370 nan 0.000 0.453 1272 P HA -0.018 nan 4.420 nan 0.000 0.225 1272 P C 1.049 178.484 177.300 0.224 0.000 1.148 1272 P CA 0.574 63.779 63.100 0.174 0.000 0.779 1272 P CB 0.190 32.042 31.700 0.253 0.000 0.780 1273 G N -2.645 106.284 108.800 0.215 0.000 2.985 1273 G HA2 -0.062 3.897 3.960 -0.002 0.000 0.209 1273 G HA3 -0.062 3.897 3.960 -0.002 0.000 0.209 1273 G C -0.286 174.693 174.900 0.133 0.000 1.165 1273 G CA -0.145 45.104 45.100 0.248 0.000 0.776 1273 G HN 0.242 nan 8.290 nan 0.000 0.541 1274 W N 1.351 122.588 121.300 -0.104 0.000 2.604 1274 W HA 0.525 5.183 4.660 -0.002 0.000 0.302 1274 W C -1.721 174.899 176.519 0.168 0.000 1.013 1274 W CA -0.923 56.413 57.345 -0.016 0.000 1.338 1274 W CB 1.330 30.707 29.460 -0.137 0.000 1.233 1274 W HN -0.256 nan 8.180 nan 0.000 0.390 1275 V N 5.416 125.363 119.914 0.054 0.000 2.439 1275 V HA 0.355 4.474 4.120 -0.002 0.000 0.282 1275 V C -0.079 176.064 176.094 0.082 0.000 1.039 1275 V CA -0.220 62.166 62.300 0.143 0.000 0.913 1275 V CB 1.745 33.598 31.823 0.051 0.000 0.983 1275 V HN 0.332 nan 8.190 nan 0.000 0.460 1276 E N 5.254 125.612 120.200 0.262 0.000 2.234 1276 E HA 0.460 4.809 4.350 -0.002 0.000 0.266 1276 E C -2.514 174.185 176.600 0.165 0.000 0.877 1276 E CA -1.770 54.746 56.400 0.195 0.000 0.758 1276 E CB 2.177 32.052 29.700 0.292 0.000 1.170 1276 E HN 0.546 nan 8.360 nan 0.000 0.415 1277 P HA 0.100 nan 4.420 nan 0.000 0.267 1277 P C -2.034 175.317 177.300 0.084 0.000 1.200 1277 P CA -0.819 62.325 63.100 0.074 0.000 0.772 1277 P CB -0.449 31.278 31.700 0.045 0.000 0.855 1278 P HA 0.000 nan 4.420 nan 0.000 0.216 1278 P CA 0.000 63.136 63.100 0.060 0.000 0.800 1278 P CB 0.000 31.726 31.700 0.043 0.000 0.726