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 1xn3_1_C DATA FIRST_RESID 1 DATA SEQUENCE EMVDNLRGKS GQGYYVEMTV GSPPQTLNIL VDTGSSNFAV GAAPHPFLHR DATA SEQUENCE YYQRQLSSTY RDLRKGVYVP YTQGKWEGEL GTDLVSIPHG PNVTVRANIA DATA SEQUENCE AITESDKFFI NGSNWEGILG LAYAEIARPD DSLEPFFDSL VKQTHVPNLF DATA SEQUENCE SLQLcGAGFP LNQSEVLASV GGSMIIGGID HSLYTGSLWY TPIRREWYYE DATA SEQUENCE VIIVRVEING QDLKMDCKEY NYDKSIVDSG TTNLRLPKKV FEAAVKSIKA DATA SEQUENCE ASSTEKFPDG FWLGEQLVcW QAGTTPWNIF PVISLYLMGE VTNQSFRITI DATA SEQUENCE LPQQYLRPVE DVATSQDDcY KFAISQSSTG TVMGAVIMEG FYVVFDRARK DATA SEQUENCE RIGFAVSAcH VHDEFRTAAV EGPFVTLDME DCGYN 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.668 176.600 0.113 0.000 1.382 1 E CA 0.000 56.453 56.400 0.089 0.000 0.976 1 E CB 0.000 29.750 29.700 0.083 0.000 0.812 2 M N 1.506 121.161 119.600 0.091 0.000 2.414 2 M HA 0.242 4.722 4.480 -0.000 0.000 0.251 2 M C 0.339 176.676 176.300 0.063 0.000 1.116 2 M CA 0.092 55.450 55.300 0.097 0.000 1.056 2 M CB 1.446 34.111 32.600 0.109 0.000 1.388 2 M HN -0.131 nan 8.290 nan 0.000 0.487 3 V N 2.829 122.768 119.914 0.040 0.000 2.673 3 V HA -0.069 4.051 4.120 -0.000 0.000 0.303 3 V C 0.228 176.311 176.094 -0.017 0.000 1.046 3 V CA 0.612 62.919 62.300 0.012 0.000 1.126 3 V CB 0.321 32.143 31.823 -0.002 0.000 0.934 3 V HN 0.534 nan 8.190 nan 0.000 0.487 4 D N 2.826 123.209 120.400 -0.028 0.000 2.981 4 D HA -0.164 4.476 4.640 -0.000 0.000 0.223 4 D C 0.883 177.136 176.300 -0.079 0.000 1.151 4 D CA 1.202 55.170 54.000 -0.052 0.000 0.827 4 D CB -1.067 39.697 40.800 -0.060 0.000 1.101 4 D HN 0.925 nan 8.370 nan 0.000 0.426 5 N N 0.107 118.777 118.700 -0.050 0.000 2.398 5 N HA -0.007 4.733 4.740 -0.000 0.000 0.188 5 N C 0.501 175.986 175.510 -0.041 0.000 1.122 5 N CA 0.159 53.178 53.050 -0.052 0.000 0.866 5 N CB 0.188 38.702 38.487 0.044 0.000 0.970 5 N HN 0.347 nan 8.380 nan 0.000 0.462 6 L N -0.020 121.168 121.223 -0.059 0.000 2.334 6 L HA 0.567 4.907 4.340 -0.000 0.000 0.270 6 L C 0.359 177.133 176.870 -0.160 0.000 1.018 6 L CA -0.901 53.883 54.840 -0.093 0.000 0.811 6 L CB 1.506 43.544 42.059 -0.036 0.000 1.271 6 L HN -0.061 nan 8.230 nan 0.000 0.443 7 R N -0.035 120.231 120.500 -0.392 0.000 2.774 7 R HA 0.791 5.130 4.340 -0.000 0.000 0.272 7 R C -0.600 175.292 176.300 -0.679 0.000 1.000 7 R CA -0.492 55.313 56.100 -0.493 0.000 0.906 7 R CB 2.353 32.307 30.300 -0.576 0.000 1.227 7 R HN 0.871 nan 8.270 nan 0.000 0.468 8 G N 0.990 109.529 108.800 -0.435 0.000 2.318 8 G HA2 0.010 3.970 3.960 -0.000 0.000 0.367 8 G HA3 0.010 3.970 3.960 -0.000 0.000 0.367 8 G C -1.780 172.674 174.900 -0.744 0.000 1.260 8 G CA -0.482 44.335 45.100 -0.472 0.000 1.055 8 G HN 0.695 nan 8.290 nan 0.000 0.484 9 K N -2.380 117.434 120.400 -0.977 0.000 2.578 9 K HA 0.694 5.014 4.320 -0.000 0.000 0.287 9 K C 1.228 177.483 176.600 -0.575 0.000 1.010 9 K CA 0.078 55.899 56.287 -0.777 0.000 0.889 9 K CB 1.162 33.489 32.500 -0.289 0.000 1.514 9 K HN 1.331 nan 8.250 nan 0.000 0.424 10 S N -0.176 115.454 115.700 -0.118 0.000 2.383 10 S HA -0.147 4.323 4.470 -0.000 0.000 0.229 10 S C 1.843 176.447 174.600 0.006 0.000 1.030 10 S CA 1.404 59.645 58.200 0.067 0.000 1.002 10 S CB -0.890 62.390 63.200 0.133 0.000 0.829 10 S HN 0.805 nan 8.310 nan 0.000 0.467 11 G N 0.670 109.454 108.800 -0.026 0.000 2.448 11 G HA2 0.004 3.964 3.960 -0.000 0.000 0.218 11 G HA3 0.004 3.964 3.960 -0.000 0.000 0.218 11 G C 1.409 176.311 174.900 0.003 0.000 1.135 11 G CA 0.488 45.584 45.100 -0.007 0.000 0.784 11 G HN 0.673 nan 8.290 nan 0.000 0.543 12 Q N -0.720 119.074 119.800 -0.010 0.000 2.189 12 Q HA 0.391 4.731 4.340 -0.000 0.000 0.223 12 Q C 0.784 176.899 176.000 0.192 0.000 0.828 12 Q CA 0.119 55.972 55.803 0.084 0.000 0.967 12 Q CB 1.680 30.445 28.738 0.046 0.000 1.139 12 Q HN 0.432 nan 8.270 nan 0.000 0.497 13 G N 0.887 109.688 108.800 0.002 0.000 2.699 13 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.686 13 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.686 13 G C -1.339 173.460 174.900 -0.168 0.000 1.301 13 G CA -0.944 44.134 45.100 -0.037 0.000 0.816 13 G HN 0.149 nan 8.290 nan 0.000 0.595 14 Y N 0.310 120.587 120.300 -0.038 0.000 2.360 14 Y HA 0.672 5.222 4.550 -0.000 0.000 0.337 14 Y C 0.716 176.565 175.900 -0.084 0.000 1.039 14 Y CA -0.172 57.870 58.100 -0.096 0.000 1.109 14 Y CB 1.780 40.175 38.460 -0.109 0.000 1.201 14 Y HN 0.804 nan 8.280 nan 0.000 0.458 15 Y N 0.368 120.700 120.300 0.054 0.000 2.602 15 Y HA 0.841 5.391 4.550 -0.000 0.000 0.342 15 Y C -1.655 174.259 175.900 0.024 0.000 1.029 15 Y CA -1.761 56.333 58.100 -0.009 0.000 1.080 15 Y CB 0.961 39.435 38.460 0.024 0.000 1.284 15 Y HN 0.410 nan 8.280 nan 0.000 0.485 16 V N 1.235 121.271 119.914 0.204 0.000 2.914 16 V HA 0.426 4.546 4.120 -0.000 0.000 0.314 16 V C -0.825 175.378 176.094 0.183 0.000 1.084 16 V CA -0.865 61.515 62.300 0.133 0.000 0.963 16 V CB 1.845 33.687 31.823 0.032 0.000 1.025 16 V HN 0.996 nan 8.190 nan 0.000 0.432 17 E N 4.932 125.237 120.200 0.176 0.000 2.338 17 E HA 0.522 4.872 4.350 -0.000 0.000 0.272 17 E C -0.826 175.815 176.600 0.067 0.000 1.029 17 E CA -0.258 56.229 56.400 0.144 0.000 0.872 17 E CB 0.941 30.744 29.700 0.173 0.000 1.015 17 E HN 0.693 nan 8.360 nan 0.000 0.417 18 M N 1.839 121.463 119.600 0.041 0.000 2.664 18 M HA 0.341 4.821 4.480 -0.000 0.000 0.279 18 M C -0.790 175.520 176.300 0.018 0.000 1.275 18 M CA -0.968 54.334 55.300 0.003 0.000 0.829 18 M CB 2.494 35.076 32.600 -0.030 0.000 1.727 18 M HN 0.588 nan 8.290 nan 0.000 0.459 19 T N -0.408 114.154 114.554 0.014 0.000 2.893 19 T HA 0.839 5.189 4.350 -0.000 0.000 0.291 19 T C -0.770 173.944 174.700 0.024 0.000 1.028 19 T CA -0.771 61.337 62.100 0.015 0.000 0.995 19 T CB 1.649 70.524 68.868 0.011 0.000 1.051 19 T HN 0.719 nan 8.240 nan 0.000 0.470 20 V N -1.013 118.897 119.914 -0.007 0.000 2.876 20 V HA 1.004 5.123 4.120 -0.000 0.000 0.312 20 V C 0.534 176.648 176.094 0.033 0.000 1.085 20 V CA 0.040 62.318 62.300 -0.036 0.000 0.945 20 V CB 0.676 32.319 31.823 -0.300 0.000 1.017 20 V HN 2.074 nan 8.190 nan 0.000 0.428 21 G N 2.676 111.535 108.800 0.099 0.000 2.796 21 G HA2 0.111 4.071 3.960 -0.000 0.000 0.571 21 G HA3 0.111 4.071 3.960 -0.000 0.000 0.571 21 G C -0.380 174.587 174.900 0.113 0.000 1.370 21 G CA -0.261 44.942 45.100 0.172 0.000 0.856 21 G HN 1.870 nan 8.290 nan 0.000 0.538 22 S N 2.352 118.118 115.700 0.110 0.000 2.707 22 S HA 0.707 5.177 4.470 -0.000 0.000 0.303 22 S C -2.190 172.446 174.600 0.060 0.000 1.132 22 S CA -0.595 57.649 58.200 0.072 0.000 1.046 22 S CB 2.799 66.039 63.200 0.066 0.000 1.004 22 S HN 0.817 nan 8.310 nan 0.000 0.483 23 P HA 0.282 nan 4.420 nan 0.000 0.272 23 P C -2.911 174.413 177.300 0.040 0.000 1.240 23 P CA -1.622 61.498 63.100 0.034 0.000 0.791 23 P CB -0.861 30.851 31.700 0.021 0.000 0.978 24 P HA 0.064 nan 4.420 nan 0.000 0.261 24 P C -0.488 176.827 177.300 0.026 0.000 1.183 24 P CA 0.738 63.856 63.100 0.030 0.000 0.761 24 P CB 0.082 31.793 31.700 0.017 0.000 0.785 25 Q N 1.628 121.447 119.800 0.032 0.000 2.325 25 Q HA 0.314 4.654 4.340 -0.000 0.000 0.262 25 Q C -0.310 175.694 176.000 0.007 0.000 0.968 25 Q CA -0.482 55.334 55.803 0.021 0.000 0.877 25 Q CB 1.248 30.020 28.738 0.057 0.000 1.253 25 Q HN 0.351 nan 8.270 nan 0.000 0.448 26 T N 3.760 118.314 114.554 0.001 0.000 2.869 26 T HA 0.527 4.877 4.350 -0.000 0.000 0.295 26 T C -0.241 174.459 174.700 -0.001 0.000 0.987 26 T CA -0.153 61.949 62.100 0.004 0.000 1.109 26 T CB 0.294 69.168 68.868 0.010 0.000 0.932 26 T HN 0.336 nan 8.240 nan 0.000 0.518 27 L N 3.100 124.328 121.223 0.009 0.000 2.466 27 L HA 0.452 4.792 4.340 -0.000 0.000 0.258 27 L C -0.255 176.632 176.870 0.029 0.000 0.973 27 L CA -1.025 53.819 54.840 0.007 0.000 0.826 27 L CB 2.287 44.349 42.059 0.005 0.000 1.372 27 L HN 0.550 nan 8.230 nan 0.000 0.409 28 N N 2.475 121.174 118.700 -0.001 0.000 2.455 28 N HA 0.555 5.295 4.740 -0.000 0.000 0.280 28 N C -1.176 174.374 175.510 0.068 0.000 1.055 28 N CA -0.572 52.481 53.050 0.004 0.000 0.961 28 N CB 1.344 39.654 38.487 -0.294 0.000 1.121 28 N HN 0.252 nan 8.380 nan 0.000 0.476 29 I N 2.919 123.562 120.570 0.122 0.000 2.436 29 I HA 0.222 4.392 4.170 -0.000 0.000 0.289 29 I C -0.086 176.029 176.117 -0.002 0.000 1.010 29 I CA -0.770 60.578 61.300 0.079 0.000 1.098 29 I CB 1.417 39.462 38.000 0.075 0.000 1.266 29 I HN 0.463 nan 8.210 nan 0.000 0.434 30 L N 7.122 128.191 121.223 -0.257 0.000 2.455 30 L HA 0.171 4.511 4.340 -0.000 0.000 0.272 30 L C -0.230 176.475 176.870 -0.274 0.000 1.174 30 L CA 0.144 54.705 54.840 -0.466 0.000 0.869 30 L CB 0.722 42.066 42.059 -1.193 0.000 1.130 30 L HN 0.351 nan 8.230 nan 0.000 0.474 31 V N 4.929 124.733 119.914 -0.182 0.000 2.408 31 V HA 0.192 4.312 4.120 -0.000 0.000 0.267 31 V C -0.315 175.676 176.094 -0.171 0.000 1.047 31 V CA -0.189 62.004 62.300 -0.179 0.000 0.937 31 V CB 0.969 32.704 31.823 -0.146 0.000 0.999 31 V HN 0.756 nan 8.190 nan 0.000 0.472 32 D N 3.215 123.517 120.400 -0.164 0.000 2.440 32 D HA 0.234 4.873 4.640 -0.000 0.000 0.252 32 D C 1.130 177.400 176.300 -0.051 0.000 1.180 32 D CA -0.190 53.752 54.000 -0.098 0.000 0.894 32 D CB 1.669 42.423 40.800 -0.077 0.000 1.111 32 D HN 0.580 nan 8.370 nan 0.000 0.544 33 T N -0.161 114.362 114.554 -0.052 0.000 3.160 33 T HA 0.108 4.457 4.350 -0.000 0.000 0.257 33 T C 1.557 176.384 174.700 0.213 0.000 1.147 33 T CA 0.340 62.456 62.100 0.027 0.000 1.064 33 T CB 0.156 68.911 68.868 -0.188 0.000 0.949 33 T HN 0.304 nan 8.240 nan 0.000 0.526 34 G N 0.854 109.754 108.800 0.167 0.000 3.189 34 G HA2 0.438 4.398 3.960 -0.000 0.000 0.225 34 G HA3 0.438 4.398 3.960 -0.000 0.000 0.225 34 G C 0.311 175.360 174.900 0.249 0.000 1.159 34 G CA 0.110 45.358 45.100 0.246 0.000 0.763 34 G HN 0.777 nan 8.290 nan 0.000 0.549 35 S N -2.003 113.797 115.700 0.166 0.000 2.688 35 S HA 0.641 5.111 4.470 -0.000 0.000 0.275 35 S C -0.067 174.579 174.600 0.076 0.000 1.175 35 S CA -0.212 58.071 58.200 0.137 0.000 0.818 35 S CB 1.729 65.134 63.200 0.341 0.000 1.157 35 S HN -0.022 nan 8.310 nan 0.000 0.482 36 S N 0.074 115.817 115.700 0.071 0.000 2.900 36 S HA 0.384 4.854 4.470 -0.000 0.000 0.253 36 S C -0.598 174.090 174.600 0.146 0.000 1.029 36 S CA -0.478 57.766 58.200 0.073 0.000 1.096 36 S CB -0.393 62.819 63.200 0.019 0.000 1.067 36 S HN 0.668 nan 8.310 nan 0.000 0.610 37 N N 1.328 120.157 118.700 0.215 0.000 2.405 37 N HA 0.484 5.224 4.740 -0.000 0.000 0.299 37 N C -1.328 174.401 175.510 0.366 0.000 1.075 37 N CA -0.454 52.773 53.050 0.296 0.000 0.884 37 N CB 1.095 39.807 38.487 0.376 0.000 1.194 37 N HN 0.306 nan 8.380 nan 0.000 0.491 38 F N 1.937 121.974 119.950 0.146 0.000 2.391 38 F HA 0.684 5.210 4.527 -0.000 0.000 0.359 38 F C -0.486 175.334 175.800 0.034 0.000 1.122 38 F CA -0.658 57.378 58.000 0.059 0.000 1.120 38 F CB 0.410 39.440 39.000 0.050 0.000 1.142 38 F HN 0.462 nan 8.300 nan 0.000 0.483 39 A N 5.896 128.619 122.820 -0.161 0.000 2.486 39 A HA 0.723 5.043 4.320 -0.000 0.000 0.300 39 A C -1.521 175.818 177.584 -0.407 0.000 1.048 39 A CA -0.547 51.221 52.037 -0.449 0.000 0.696 39 A CB 1.677 20.218 19.000 -0.764 0.000 1.278 39 A HN 0.944 nan 8.150 nan 0.000 0.405 40 V N -0.555 119.134 119.914 -0.376 0.000 2.876 40 V HA 0.939 5.059 4.120 -0.000 0.000 0.312 40 V C 0.417 176.534 176.094 0.038 0.000 1.085 40 V CA -0.286 61.934 62.300 -0.133 0.000 0.945 40 V CB 1.325 33.001 31.823 -0.246 0.000 1.017 40 V HN 1.730 nan 8.190 nan 0.000 0.428 41 G N 1.347 110.267 108.800 0.200 0.000 2.340 41 G HA2 0.526 4.486 3.960 -0.000 0.000 0.245 41 G HA3 0.526 4.486 3.960 -0.000 0.000 0.245 41 G C 0.461 175.452 174.900 0.150 0.000 1.294 41 G CA 0.147 45.340 45.100 0.155 0.000 0.896 41 G HN 1.931 nan 8.290 nan 0.000 0.522 42 A N 1.316 124.191 122.820 0.092 0.000 2.610 42 A HA 0.788 5.107 4.320 -0.000 0.000 0.291 42 A C 0.619 178.167 177.584 -0.061 0.000 1.116 42 A CA 0.677 52.794 52.037 0.133 0.000 0.963 42 A CB 0.065 19.110 19.000 0.074 0.000 1.220 42 A HN 1.897 nan 8.150 nan 0.000 0.530 43 A N 0.386 122.936 122.820 -0.451 0.000 2.612 43 A HA 0.772 5.092 4.320 -0.000 0.000 0.293 43 A C -3.283 173.639 177.584 -1.104 0.000 1.075 43 A CA -1.382 50.195 52.037 -0.767 0.000 0.680 43 A CB 0.845 19.669 19.000 -0.293 0.000 1.279 43 A HN 0.032 nan 8.150 nan 0.000 0.411 44 P HA 0.177 nan 4.420 nan 0.000 0.266 44 P C -0.971 176.187 177.300 -0.237 0.000 1.195 44 P CA 0.683 63.462 63.100 -0.536 0.000 0.768 44 P CB 0.357 31.910 31.700 -0.245 0.000 0.838 45 H N 2.915 121.835 119.070 -0.250 0.000 2.996 45 H HA 0.235 4.791 4.556 -0.000 0.000 0.368 45 H C -2.106 173.119 175.328 -0.171 0.000 1.185 45 H CA -1.740 54.183 56.048 -0.209 0.000 1.160 45 H CB 2.169 31.787 29.762 -0.240 0.000 1.820 45 H HN 0.053 nan 8.280 nan 0.000 0.547 46 P HA -0.085 nan 4.420 nan 0.000 0.216 46 P C 0.828 178.219 177.300 0.151 0.000 1.150 46 P CA 1.453 64.389 63.100 -0.275 0.000 0.843 46 P CB 0.007 31.355 31.700 -0.587 0.000 0.787 47 F N -1.794 118.315 119.950 0.265 0.000 2.660 47 F HA 0.209 4.736 4.527 -0.000 0.000 0.302 47 F C 0.693 176.502 175.800 0.016 0.000 1.103 47 F CA -0.598 57.487 58.000 0.141 0.000 1.340 47 F CB 0.158 39.237 39.000 0.132 0.000 1.048 47 F HN -0.204 nan 8.300 nan 0.000 0.551 48 L N 0.207 121.539 121.223 0.181 0.000 2.325 48 L HA 0.311 4.651 4.340 -0.000 0.000 0.281 48 L C 0.534 177.512 176.870 0.180 0.000 1.004 48 L CA -0.710 54.151 54.840 0.036 0.000 0.823 48 L CB 1.263 43.221 42.059 -0.169 0.000 1.236 48 L HN 0.040 nan 8.230 nan 0.000 0.415 49 H N 2.181 121.225 119.070 -0.044 0.000 2.448 49 H HA 0.096 4.652 4.556 -0.000 0.000 0.292 49 H C 0.248 175.572 175.328 -0.008 0.000 1.035 49 H CA 0.574 56.609 56.048 -0.020 0.000 1.349 49 H CB 0.214 29.949 29.762 -0.045 0.000 1.425 49 H HN 0.482 nan 8.280 nan 0.000 0.539 50 R N -0.973 119.598 120.500 0.118 0.000 2.764 50 R HA 0.474 4.814 4.340 -0.000 0.000 0.270 50 R C -1.608 174.737 176.300 0.074 0.000 1.014 50 R CA -1.105 55.002 56.100 0.012 0.000 0.904 50 R CB 1.920 32.193 30.300 -0.046 0.000 1.236 50 R HN 0.127 nan 8.270 nan 0.000 0.466 51 Y N -2.414 117.870 120.300 -0.027 0.000 2.689 51 Y HA 0.439 4.989 4.550 -0.000 0.000 0.333 51 Y C -1.652 174.282 175.900 0.058 0.000 1.208 51 Y CA -1.711 56.379 58.100 -0.017 0.000 1.055 51 Y CB 0.600 39.029 38.460 -0.051 0.000 1.304 51 Y HN 0.581 nan 8.280 nan 0.000 0.455 52 Y N 2.932 123.279 120.300 0.079 0.000 2.496 52 Y HA 0.301 4.851 4.550 -0.000 0.000 0.334 52 Y C -0.501 175.405 175.900 0.011 0.000 1.080 52 Y CA -0.647 57.446 58.100 -0.011 0.000 1.355 52 Y CB 0.734 39.175 38.460 -0.031 0.000 1.193 52 Y HN 0.678 nan 8.280 nan 0.000 0.523 53 Q N 7.311 127.043 119.800 -0.112 0.000 2.506 53 Q HA 0.276 4.616 4.340 -0.000 0.000 0.242 53 Q C 0.944 176.658 176.000 -0.476 0.000 1.060 53 Q CA -0.449 55.199 55.803 -0.258 0.000 0.826 53 Q CB 1.026 29.657 28.738 -0.178 0.000 1.169 53 Q HN 0.796 nan 8.270 nan 0.000 0.521 54 R N 0.906 120.901 120.500 -0.841 0.000 2.105 54 R HA -0.205 4.135 4.340 -0.000 0.000 0.239 54 R C 1.566 177.549 176.300 -0.528 0.000 1.135 54 R CA 1.564 57.055 56.100 -1.016 0.000 0.967 54 R CB 0.120 29.514 30.300 -1.510 0.000 0.861 54 R HN 0.589 nan 8.270 nan 0.000 0.442 55 Q N 0.247 119.839 119.800 -0.346 0.000 2.291 55 Q HA -0.092 4.248 4.340 -0.000 0.000 0.206 55 Q C 1.633 177.577 176.000 -0.093 0.000 0.976 55 Q CA 0.876 56.581 55.803 -0.164 0.000 0.875 55 Q CB 0.087 28.756 28.738 -0.114 0.000 0.927 55 Q HN 0.414 nan 8.270 nan 0.000 0.450 56 L N -0.402 120.759 121.223 -0.104 0.000 2.592 56 L HA 0.137 4.476 4.340 -0.000 0.000 0.227 56 L C 0.807 177.677 176.870 -0.001 0.000 1.127 56 L CA -0.217 54.596 54.840 -0.044 0.000 0.884 56 L CB 0.421 42.451 42.059 -0.048 0.000 1.065 56 L HN -0.097 nan 8.230 nan 0.000 0.457 57 S N -0.338 115.370 115.700 0.013 0.000 2.429 57 S HA 0.166 4.636 4.470 -0.000 0.000 0.302 57 S C 1.255 175.926 174.600 0.118 0.000 1.115 57 S CA -0.443 57.814 58.200 0.096 0.000 1.095 57 S CB 1.270 64.583 63.200 0.189 0.000 0.987 57 S HN 0.319 nan 8.310 nan 0.000 0.474 58 S N 3.024 118.781 115.700 0.095 0.000 2.481 58 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 58 S C 1.388 176.048 174.600 0.100 0.000 0.996 58 S CA 1.092 59.343 58.200 0.085 0.000 0.942 58 S CB -0.685 62.549 63.200 0.057 0.000 0.768 58 S HN 0.845 nan 8.310 nan 0.000 0.520 59 T N -2.186 112.443 114.554 0.125 0.000 3.069 59 T HA 0.228 4.578 4.350 -0.000 0.000 0.252 59 T C 0.212 175.004 174.700 0.154 0.000 1.053 59 T CA -0.620 61.549 62.100 0.115 0.000 0.964 59 T CB -0.705 68.223 68.868 0.100 0.000 1.005 59 T HN 0.426 nan 8.240 nan 0.000 0.532 60 Y N 3.197 123.545 120.300 0.081 0.000 2.610 60 Y HA 0.377 4.927 4.550 -0.000 0.000 0.332 60 Y C 0.121 176.060 175.900 0.065 0.000 1.201 60 Y CA -1.025 57.132 58.100 0.094 0.000 1.465 60 Y CB 0.382 38.878 38.460 0.060 0.000 1.283 60 Y HN 0.042 nan 8.280 nan 0.000 0.563 61 R N 4.772 124.855 120.500 -0.695 0.000 2.439 61 R HA 0.170 4.509 4.340 -0.000 0.000 0.310 61 R C -1.475 174.299 176.300 -0.876 0.000 0.955 61 R CA -0.974 54.754 56.100 -0.621 0.000 0.853 61 R CB 1.080 31.238 30.300 -0.237 0.000 1.171 61 R HN 0.632 nan 8.270 nan 0.000 0.449 62 D N 3.890 123.869 120.400 -0.702 0.000 2.339 62 D HA 0.072 4.712 4.640 -0.000 0.000 0.241 62 D C 0.686 176.916 176.300 -0.116 0.000 1.183 62 D CA -0.122 53.685 54.000 -0.322 0.000 0.859 62 D CB 1.094 41.852 40.800 -0.072 0.000 1.067 62 D HN 0.495 nan 8.370 nan 0.000 0.484 63 L N 3.533 124.730 121.223 -0.043 0.000 2.599 63 L HA 0.125 4.465 4.340 -0.000 0.000 0.230 63 L C 1.033 177.917 176.870 0.024 0.000 1.141 63 L CA -0.018 54.821 54.840 -0.002 0.000 0.877 63 L CB -0.193 41.882 42.059 0.027 0.000 1.009 63 L HN 0.425 nan 8.230 nan 0.000 0.447 64 R N 0.815 121.338 120.500 0.038 0.000 3.322 64 R HA -0.213 4.126 4.340 -0.000 0.000 0.253 64 R C -0.030 176.299 176.300 0.049 0.000 0.987 64 R CA 0.698 56.826 56.100 0.046 0.000 0.666 64 R CB -1.560 28.758 30.300 0.030 0.000 1.072 64 R HN 0.283 nan 8.270 nan 0.000 0.447 65 K N -0.191 120.247 120.400 0.063 0.000 2.525 65 K HA 0.445 4.765 4.320 -0.000 0.000 0.254 65 K C -0.080 176.570 176.600 0.083 0.000 0.934 65 K CA -0.159 56.166 56.287 0.063 0.000 0.802 65 K CB 1.810 34.344 32.500 0.056 0.000 1.295 65 K HN 0.150 nan 8.250 nan 0.000 0.433 66 G N 1.252 110.098 108.800 0.078 0.000 2.528 66 G HA2 0.558 4.518 3.960 -0.000 0.000 0.289 66 G HA3 0.558 4.518 3.960 -0.000 0.000 0.289 66 G C -1.233 173.732 174.900 0.109 0.000 1.192 66 G CA -0.494 44.665 45.100 0.098 0.000 0.921 66 G HN 0.426 nan 8.290 nan 0.000 0.512 67 V N 0.142 120.143 119.914 0.145 0.000 3.048 67 V HA 0.682 4.801 4.120 -0.000 0.000 0.303 67 V C -2.103 174.062 176.094 0.118 0.000 1.214 67 V CA -0.957 61.419 62.300 0.126 0.000 0.984 67 V CB 1.997 33.917 31.823 0.161 0.000 1.054 67 V HN 0.890 nan 8.190 nan 0.000 0.430 68 Y N 5.296 125.495 120.300 -0.168 0.000 2.391 68 Y HA 0.817 5.367 4.550 -0.000 0.000 0.341 68 Y C -1.354 174.204 175.900 -0.569 0.000 0.965 68 Y CA -0.851 57.061 58.100 -0.313 0.000 1.067 68 Y CB 2.169 40.514 38.460 -0.192 0.000 1.199 68 Y HN 0.473 nan 8.280 nan 0.000 0.450 69 V N 8.904 127.821 119.914 -1.663 0.000 2.482 69 V HA 0.510 4.630 4.120 -0.000 0.000 0.295 69 V C -2.622 172.456 176.094 -1.695 0.000 1.026 69 V CA -1.548 59.701 62.300 -1.752 0.000 0.856 69 V CB 1.987 32.641 31.823 -1.948 0.000 1.001 69 V HN 0.700 nan 8.190 nan 0.000 0.424 70 P HA 0.539 nan 4.420 nan 0.000 0.306 70 P C -1.702 175.225 177.300 -0.622 0.000 1.385 70 P CA -0.534 62.108 63.100 -0.762 0.000 0.915 70 P CB 1.534 32.960 31.700 -0.457 0.000 1.013 71 Y N -0.045 120.166 120.300 -0.148 0.000 2.596 71 Y HA 0.272 4.822 4.550 -0.000 0.000 0.326 71 Y C 2.405 178.305 175.900 0.001 0.000 1.167 71 Y CA -0.257 57.823 58.100 -0.033 0.000 1.246 71 Y CB 0.294 38.791 38.460 0.061 0.000 1.347 71 Y HN 0.206 nan 8.280 nan 0.000 0.515 72 T N 0.343 115.012 114.554 0.192 0.000 2.685 72 T HA -0.216 4.133 4.350 -0.000 0.000 0.268 72 T C -0.014 174.752 174.700 0.110 0.000 1.034 72 T CA 1.797 63.958 62.100 0.101 0.000 1.149 72 T CB -0.337 68.572 68.868 0.068 0.000 0.860 72 T HN 0.621 nan 8.240 nan 0.000 0.449 73 Q N -0.523 119.373 119.800 0.159 0.000 2.263 73 Q HA 0.554 4.893 4.340 -0.000 0.000 0.266 73 Q C -0.479 175.653 176.000 0.219 0.000 1.002 73 Q CA -0.869 55.023 55.803 0.148 0.000 0.790 73 Q CB 2.093 30.893 28.738 0.104 0.000 1.272 73 Q HN 0.241 nan 8.270 nan 0.000 0.435 74 G N 1.937 110.877 108.800 0.233 0.000 2.650 74 G HA2 0.090 4.050 3.960 -0.000 0.000 0.686 74 G HA3 0.090 4.050 3.960 -0.000 0.000 0.686 74 G C -1.398 173.715 174.900 0.355 0.000 1.205 74 G CA -0.431 44.864 45.100 0.325 0.000 0.781 74 G HN 1.019 nan 8.290 nan 0.000 0.648 75 K N -0.293 120.279 120.400 0.286 0.000 2.597 75 K HA 0.822 5.142 4.320 -0.000 0.000 0.282 75 K C -0.612 176.025 176.600 0.063 0.000 0.975 75 K CA -1.065 55.252 56.287 0.049 0.000 0.867 75 K CB 1.710 34.232 32.500 0.037 0.000 1.465 75 K HN 1.718 nan 8.250 nan 0.000 0.417 76 W N 0.175 121.374 121.300 -0.167 0.000 3.074 76 W HA 0.565 5.225 4.660 -0.000 0.000 0.332 76 W C -1.622 174.872 176.519 -0.042 0.000 1.253 76 W CA -0.619 56.627 57.345 -0.167 0.000 1.180 76 W CB 1.055 30.226 29.460 -0.481 0.000 1.445 76 W HN 0.670 nan 8.180 nan 0.000 0.573 77 E N 0.446 120.936 120.200 0.483 0.000 2.288 77 E HA 0.685 5.035 4.350 -0.000 0.000 0.268 77 E C -0.271 176.608 176.600 0.466 0.000 0.885 77 E CA -0.688 55.961 56.400 0.415 0.000 0.767 77 E CB 2.852 32.705 29.700 0.254 0.000 1.220 77 E HN 0.698 nan 8.360 nan 0.000 0.427 78 G N 1.217 110.270 108.800 0.422 0.000 2.682 78 G HA2 0.423 4.383 3.960 -0.000 0.000 0.303 78 G HA3 0.423 4.383 3.960 -0.000 0.000 0.303 78 G C -1.393 173.634 174.900 0.212 0.000 1.341 78 G CA -0.650 44.615 45.100 0.276 0.000 0.784 78 G HN 0.395 nan 8.290 nan 0.000 0.497 79 E N -0.066 120.230 120.200 0.160 0.000 2.199 79 E HA 0.467 4.816 4.350 -0.000 0.000 0.265 79 E C -0.576 176.123 176.600 0.165 0.000 0.882 79 E CA -0.519 55.969 56.400 0.146 0.000 0.759 79 E CB 2.620 32.392 29.700 0.120 0.000 1.148 79 E HN 0.264 nan 8.360 nan 0.000 0.412 80 L N 2.010 123.327 121.223 0.157 0.000 2.418 80 L HA 0.661 5.001 4.340 -0.000 0.000 0.265 80 L C 0.730 177.693 176.870 0.155 0.000 1.143 80 L CA 0.033 54.966 54.840 0.154 0.000 0.809 80 L CB 0.887 43.022 42.059 0.128 0.000 1.124 80 L HN 0.729 nan 8.230 nan 0.000 0.456 81 G N 0.085 108.980 108.800 0.159 0.000 2.430 81 G HA2 0.533 4.493 3.960 -0.000 0.000 0.300 81 G HA3 0.533 4.493 3.960 -0.000 0.000 0.300 81 G C -1.284 173.687 174.900 0.119 0.000 1.330 81 G CA 0.001 45.166 45.100 0.108 0.000 0.813 81 G HN 0.623 nan 8.290 nan 0.000 0.487 82 T N -2.117 112.470 114.554 0.056 0.000 2.901 82 T HA 0.805 5.155 4.350 -0.000 0.000 0.293 82 T C -1.460 173.330 174.700 0.150 0.000 1.084 82 T CA -0.568 61.596 62.100 0.108 0.000 1.008 82 T CB 2.953 71.857 68.868 0.060 0.000 1.170 82 T HN 0.744 nan 8.240 nan 0.000 0.509 83 D N -0.477 120.027 120.400 0.173 0.000 2.710 83 D HA 0.313 4.953 4.640 -0.000 0.000 0.276 83 D C -1.081 175.311 176.300 0.153 0.000 1.267 83 D CA -0.620 53.495 54.000 0.192 0.000 0.772 83 D CB 1.653 42.633 40.800 0.300 0.000 1.299 83 D HN 0.696 nan 8.370 nan 0.000 0.421 84 L N 0.905 122.207 121.223 0.131 0.000 2.371 84 L HA 0.556 4.896 4.340 -0.000 0.000 0.272 84 L C -0.106 176.838 176.870 0.123 0.000 1.124 84 L CA -0.586 54.317 54.840 0.105 0.000 0.816 84 L CB 1.179 43.284 42.059 0.076 0.000 1.129 84 L HN 0.095 nan 8.230 nan 0.000 0.448 85 V N 1.764 121.762 119.914 0.140 0.000 2.789 85 V HA 0.582 4.702 4.120 -0.000 0.000 0.311 85 V C -0.388 175.780 176.094 0.123 0.000 1.073 85 V CA -0.444 61.953 62.300 0.162 0.000 0.921 85 V CB 2.233 34.231 31.823 0.293 0.000 1.009 85 V HN 0.872 nan 8.190 nan 0.000 0.426 86 S N 3.356 119.101 115.700 0.074 0.000 2.618 86 S HA 0.749 5.219 4.470 -0.000 0.000 0.277 86 S C -0.933 173.674 174.600 0.011 0.000 1.138 86 S CA -0.606 57.621 58.200 0.046 0.000 0.844 86 S CB 2.086 65.298 63.200 0.020 0.000 1.127 86 S HN 0.551 nan 8.310 nan 0.000 0.474 87 I N 2.370 122.943 120.570 0.005 0.000 2.466 87 I HA 0.279 4.449 4.170 -0.000 0.000 0.279 87 I C -2.098 173.994 176.117 -0.041 0.000 1.033 87 I CA -2.193 59.098 61.300 -0.014 0.000 1.123 87 I CB 1.953 39.955 38.000 0.004 0.000 1.237 87 I HN 0.386 nan 8.210 nan 0.000 0.460 88 P HA -0.193 nan 4.420 nan 0.000 0.216 88 P C 0.515 177.581 177.300 -0.389 0.000 1.157 88 P CA 1.577 64.524 63.100 -0.255 0.000 0.880 88 P CB 0.054 31.562 31.700 -0.319 0.000 0.791 89 H N -1.060 118.024 119.070 0.024 0.000 2.540 89 H HA 0.528 5.084 4.556 -0.000 0.000 0.264 89 H C 0.954 176.300 175.328 0.031 0.000 1.427 89 H CA 0.070 56.133 56.048 0.026 0.000 1.103 89 H CB -0.198 29.579 29.762 0.025 0.000 1.572 89 H HN 0.122 nan 8.280 nan 0.000 0.511 90 G N 0.817 109.657 108.800 0.066 0.000 3.058 90 G HA2 0.316 4.275 3.960 -0.000 0.000 0.282 90 G HA3 0.316 4.275 3.960 -0.000 0.000 0.282 90 G C -2.728 172.204 174.900 0.053 0.000 1.248 90 G CA -1.232 43.912 45.100 0.073 0.000 0.822 90 G HN -0.058 nan 8.290 nan 0.000 0.579 91 P HA 0.106 nan 4.420 nan 0.000 0.272 91 P C -0.705 176.605 177.300 0.017 0.000 1.223 91 P CA -0.355 62.767 63.100 0.037 0.000 0.784 91 P CB 0.759 32.479 31.700 0.033 0.000 0.923 92 N N 1.640 120.347 118.700 0.012 0.000 3.050 92 N HA 0.193 4.933 4.740 -0.000 0.000 0.289 92 N C -0.549 174.958 175.510 -0.005 0.000 1.209 92 N CA -0.037 53.014 53.050 0.002 0.000 1.154 92 N CB -0.911 37.579 38.487 0.005 0.000 1.444 92 N HN 0.205 nan 8.380 nan 0.000 0.529 93 V N -1.255 118.652 119.914 -0.011 0.000 3.181 93 V HA 0.715 4.834 4.120 -0.000 0.000 0.308 93 V C -0.158 175.925 176.094 -0.018 0.000 1.214 93 V CA -0.794 61.490 62.300 -0.026 0.000 1.053 93 V CB 1.911 33.702 31.823 -0.053 0.000 1.069 93 V HN 0.114 nan 8.190 nan 0.000 0.441 94 T N 1.811 116.349 114.554 -0.027 0.000 2.881 94 T HA 0.759 5.109 4.350 -0.000 0.000 0.290 94 T C -0.636 174.045 174.700 -0.031 0.000 1.000 94 T CA -0.298 61.798 62.100 -0.008 0.000 0.978 94 T CB 1.467 70.335 68.868 0.000 0.000 0.997 94 T HN 1.680 nan 8.240 nan 0.000 0.443 95 V N 1.387 121.292 119.914 -0.015 0.000 2.789 95 V HA 0.744 4.864 4.120 -0.000 0.000 0.311 95 V C -0.452 175.643 176.094 0.003 0.000 1.073 95 V CA -1.426 60.836 62.300 -0.062 0.000 0.921 95 V CB 1.885 33.590 31.823 -0.198 0.000 1.009 95 V HN 0.855 nan 8.190 nan 0.000 0.426 96 R N 2.997 123.490 120.500 -0.010 0.000 2.234 96 R HA 0.794 5.134 4.340 -0.000 0.000 0.324 96 R C -0.211 176.117 176.300 0.046 0.000 1.054 96 R CA 0.445 56.567 56.100 0.037 0.000 0.912 96 R CB 0.863 31.175 30.300 0.020 0.000 1.030 96 R HN 1.260 nan 8.270 nan 0.000 0.455 97 A N 4.053 126.954 122.820 0.135 0.000 2.479 97 A HA 0.443 4.763 4.320 -0.000 0.000 0.296 97 A C -1.057 176.668 177.584 0.235 0.000 1.121 97 A CA -1.081 51.071 52.037 0.190 0.000 0.743 97 A CB 1.303 20.515 19.000 0.353 0.000 1.323 97 A HN 0.771 nan 8.150 nan 0.000 0.415 98 N N 0.292 119.132 118.700 0.233 0.000 2.518 98 N HA 0.416 5.155 4.740 -0.000 0.000 0.266 98 N C -0.910 174.767 175.510 0.278 0.000 1.196 98 N CA 0.634 53.813 53.050 0.214 0.000 0.947 98 N CB 0.586 39.184 38.487 0.184 0.000 1.098 98 N HN 0.512 nan 8.380 nan 0.000 0.450 99 I N 0.792 121.465 120.570 0.171 0.000 2.571 99 I HA 0.316 4.486 4.170 -0.000 0.000 0.289 99 I C -0.459 175.683 176.117 0.041 0.000 1.115 99 I CA -0.985 60.319 61.300 0.006 0.000 1.045 99 I CB 1.982 39.923 38.000 -0.099 0.000 1.238 99 I HN 0.362 nan 8.210 nan 0.000 0.424 100 A N 4.831 127.628 122.820 -0.038 0.000 2.260 100 A HA 0.792 5.111 4.320 -0.000 0.000 0.308 100 A C 0.158 177.690 177.584 -0.087 0.000 1.254 100 A CA -0.442 51.606 52.037 0.018 0.000 0.874 100 A CB 0.710 19.768 19.000 0.097 0.000 1.153 100 A HN 0.804 nan 8.150 nan 0.000 0.527 101 A N 3.933 126.782 122.820 0.048 0.000 2.343 101 A HA 0.536 4.856 4.320 -0.000 0.000 0.305 101 A C 0.081 177.665 177.584 -0.001 0.000 1.308 101 A CA -0.319 51.755 52.037 0.062 0.000 0.949 101 A CB -0.436 18.620 19.000 0.094 0.000 1.148 101 A HN 0.766 nan 8.150 nan 0.000 0.545 102 I N 3.598 124.120 120.570 -0.080 0.000 2.505 102 I HA 0.051 4.221 4.170 -0.000 0.000 0.287 102 I C 1.524 177.676 176.117 0.057 0.000 1.104 102 I CA 0.295 61.562 61.300 -0.055 0.000 1.387 102 I CB 0.960 38.870 38.000 -0.150 0.000 1.404 102 I HN 0.854 nan 8.210 nan 0.000 0.528 103 T N 1.275 115.885 114.554 0.093 0.000 3.000 103 T HA 0.245 4.595 4.350 -0.000 0.000 0.248 103 T C 0.553 175.316 174.700 0.105 0.000 1.034 103 T CA -0.034 62.109 62.100 0.072 0.000 1.060 103 T CB 0.473 69.377 68.868 0.060 0.000 0.983 103 T HN 0.413 nan 8.240 nan 0.000 0.482 104 E N 1.591 121.886 120.200 0.158 0.000 2.314 104 E HA 0.620 4.970 4.350 -0.000 0.000 0.272 104 E C -1.190 175.548 176.600 0.231 0.000 0.884 104 E CA -0.484 56.020 56.400 0.173 0.000 0.753 104 E CB 2.412 32.194 29.700 0.136 0.000 1.213 104 E HN 0.455 nan 8.360 nan 0.000 0.432 105 S N 0.711 116.557 115.700 0.244 0.000 2.570 105 S HA 0.650 5.120 4.470 -0.000 0.000 0.270 105 S C -1.466 173.282 174.600 0.246 0.000 1.149 105 S CA -0.987 57.365 58.200 0.253 0.000 0.837 105 S CB 2.452 65.788 63.200 0.228 0.000 1.124 105 S HN 0.349 nan 8.310 nan 0.000 0.465 106 D N 0.213 120.757 120.400 0.240 0.000 2.736 106 D HA 0.436 5.075 4.640 -0.000 0.000 0.243 106 D C -0.766 175.678 176.300 0.240 0.000 1.304 106 D CA -0.458 53.670 54.000 0.215 0.000 0.934 106 D CB 0.794 41.695 40.800 0.168 0.000 1.382 106 D HN 0.732 nan 8.370 nan 0.000 0.571 107 K N 1.919 122.463 120.400 0.240 0.000 3.088 107 K HA -0.267 4.053 4.320 -0.000 0.000 0.273 107 K C 0.171 176.930 176.600 0.264 0.000 1.111 107 K CA 0.717 57.144 56.287 0.232 0.000 0.803 107 K CB -1.467 31.146 32.500 0.187 0.000 1.226 107 K HN 0.424 nan 8.250 nan 0.000 0.485 108 F N 0.413 120.405 119.950 0.071 0.000 2.287 108 F HA 0.262 4.789 4.527 -0.000 0.000 0.276 108 F C 0.739 176.483 175.800 -0.094 0.000 1.047 108 F CA 0.093 58.072 58.000 -0.034 0.000 1.194 108 F CB 0.236 39.128 39.000 -0.180 0.000 1.118 108 F HN -0.059 nan 8.300 nan 0.000 0.556 109 F N 2.106 122.058 119.950 0.004 0.000 2.529 109 F HA 0.236 4.763 4.527 -0.000 0.000 0.365 109 F C 0.035 175.745 175.800 -0.151 0.000 1.102 109 F CA -0.127 57.658 58.000 -0.358 0.000 1.271 109 F CB 0.189 38.962 39.000 -0.379 0.000 1.120 109 F HN -0.225 nan 8.300 nan 0.000 0.579 110 I N 2.902 123.287 120.570 -0.308 0.000 2.354 110 I HA 0.134 4.304 4.170 -0.000 0.000 0.292 110 I C 0.103 175.909 176.117 -0.518 0.000 0.989 110 I CA -0.627 60.496 61.300 -0.295 0.000 1.188 110 I CB 1.234 39.045 38.000 -0.315 0.000 1.342 110 I HN 0.593 nan 8.210 nan 0.000 0.457 111 N N 4.978 123.068 118.700 -1.016 0.000 2.414 111 N HA 0.028 4.767 4.740 -0.000 0.000 0.268 111 N C 1.043 176.226 175.510 -0.546 0.000 1.286 111 N CA 1.030 53.337 53.050 -1.238 0.000 0.896 111 N CB 0.434 37.899 38.487 -1.702 0.000 1.093 111 N HN 1.028 nan 8.380 nan 0.000 0.480 112 G N 1.858 110.444 108.800 -0.357 0.000 2.176 112 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.253 112 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.253 112 G C 0.903 175.652 174.900 -0.251 0.000 0.979 112 G CA 0.545 45.502 45.100 -0.238 0.000 0.641 112 G HN 0.755 nan 8.290 nan 0.000 0.530 113 S N 0.098 115.581 115.700 -0.362 0.000 2.453 113 S HA 0.008 4.478 4.470 -0.000 0.000 0.231 113 S C 1.430 175.842 174.600 -0.312 0.000 1.005 113 S CA 1.383 59.384 58.200 -0.332 0.000 0.949 113 S CB -0.231 62.605 63.200 -0.608 0.000 0.774 113 S HN 1.649 nan 8.310 nan 0.000 0.510 114 N N 0.213 118.638 118.700 -0.458 0.000 2.936 114 N HA -0.122 4.618 4.740 -0.000 0.000 0.236 114 N C -0.335 174.785 175.510 -0.650 0.000 0.930 114 N CA 1.534 54.275 53.050 -0.515 0.000 0.966 114 N CB -1.860 36.425 38.487 -0.335 0.000 1.090 114 N HN 0.882 nan 8.380 nan 0.000 0.592 115 W N -0.250 120.718 121.300 -0.553 0.000 2.578 115 W HA 0.664 5.324 4.660 -0.000 0.000 0.346 115 W C 0.200 176.592 176.519 -0.212 0.000 1.075 115 W CA -0.599 56.455 57.345 -0.484 0.000 1.233 115 W CB 0.460 29.709 29.460 -0.351 0.000 1.358 115 W HN -0.001 nan 8.180 nan 0.000 0.574 116 E N 1.162 121.485 120.200 0.204 0.000 2.583 116 E HA 0.359 4.709 4.350 -0.000 0.000 0.213 116 E C 0.540 177.371 176.600 0.384 0.000 0.989 116 E CA -0.060 56.426 56.400 0.145 0.000 0.991 116 E CB 1.333 31.023 29.700 -0.016 0.000 1.040 116 E HN 0.638 nan 8.360 nan 0.000 0.481 117 G N 0.338 109.439 108.800 0.501 0.000 2.550 117 G HA2 0.576 4.535 3.960 -0.000 0.000 0.293 117 G HA3 0.576 4.535 3.960 -0.000 0.000 0.293 117 G C -1.870 173.134 174.900 0.173 0.000 1.402 117 G CA -0.698 44.605 45.100 0.339 0.000 0.784 117 G HN 0.068 nan 8.290 nan 0.000 0.482 118 I N -0.356 120.285 120.570 0.119 0.000 2.619 118 I HA 0.675 4.844 4.170 -0.000 0.000 0.292 118 I C -1.661 174.551 176.117 0.158 0.000 1.100 118 I CA -1.230 60.075 61.300 0.007 0.000 1.043 118 I CB 2.104 40.158 38.000 0.089 0.000 1.239 118 I HN 0.482 nan 8.210 nan 0.000 0.420 119 L N 7.794 129.029 121.223 0.020 0.000 2.301 119 L HA 0.634 4.974 4.340 -0.000 0.000 0.278 119 L C 0.006 176.854 176.870 -0.036 0.000 1.022 119 L CA -0.032 54.788 54.840 -0.033 0.000 0.854 119 L CB 0.986 42.869 42.059 -0.293 0.000 1.226 119 L HN 0.640 nan 8.230 nan 0.000 0.429 120 G N 5.178 114.028 108.800 0.083 0.000 2.372 120 G HA2 0.339 4.299 3.960 -0.000 0.000 0.286 120 G HA3 0.339 4.299 3.960 -0.000 0.000 0.286 120 G C 0.498 175.415 174.900 0.028 0.000 1.153 120 G CA -0.375 44.776 45.100 0.085 0.000 0.985 120 G HN 0.744 nan 8.290 nan 0.000 0.429 121 L N 1.946 123.146 121.223 -0.038 0.000 2.607 121 L HA 0.233 4.573 4.340 -0.000 0.000 0.228 121 L C 1.930 178.811 176.870 0.018 0.000 1.123 121 L CA -0.116 54.671 54.840 -0.089 0.000 0.890 121 L CB -0.077 41.757 42.059 -0.376 0.000 1.103 121 L HN 0.589 nan 8.230 nan 0.000 0.468 122 A N -0.879 121.937 122.820 -0.007 0.000 2.275 122 A HA 0.376 4.696 4.320 -0.000 0.000 0.282 122 A C -0.602 176.777 177.584 -0.341 0.000 1.275 122 A CA -0.208 51.665 52.037 -0.274 0.000 0.842 122 A CB 0.015 18.911 19.000 -0.173 0.000 1.280 122 A HN 0.090 nan 8.150 nan 0.000 0.508 123 Y N -1.540 118.662 120.300 -0.164 0.000 2.298 123 Y HA 0.390 4.940 4.550 -0.000 0.000 0.329 123 Y C 1.710 177.598 175.900 -0.019 0.000 1.293 123 Y CA 0.305 58.373 58.100 -0.054 0.000 1.388 123 Y CB 0.632 39.064 38.460 -0.048 0.000 1.309 123 Y HN 0.663 nan 8.280 nan 0.000 0.544 124 A N 0.767 123.706 122.820 0.198 0.000 1.978 124 A HA -0.270 4.050 4.320 -0.000 0.000 0.220 124 A C 2.005 179.641 177.584 0.086 0.000 1.170 124 A CA 1.938 54.045 52.037 0.117 0.000 0.636 124 A CB -0.861 18.205 19.000 0.110 0.000 0.810 124 A HN 0.946 nan 8.150 nan 0.000 0.448 125 E N 0.561 120.826 120.200 0.108 0.000 2.147 125 E HA -0.206 4.143 4.350 -0.000 0.000 0.199 125 E C 1.485 178.124 176.600 0.064 0.000 1.005 125 E CA 1.816 58.269 56.400 0.089 0.000 0.810 125 E CB -0.400 29.378 29.700 0.129 0.000 0.736 125 E HN 0.814 nan 8.360 nan 0.000 0.460 126 I N -2.479 118.093 120.570 0.003 0.000 3.904 126 I HA 0.450 4.620 4.170 -0.000 0.000 0.333 126 I C 0.487 176.550 176.117 -0.090 0.000 1.361 126 I CA -0.507 60.731 61.300 -0.102 0.000 1.116 126 I CB 0.252 38.016 38.000 -0.393 0.000 1.028 126 I HN 0.009 nan 8.210 nan 0.000 0.398 127 A N 2.001 124.806 122.820 -0.025 0.000 2.407 127 A HA 0.589 4.909 4.320 -0.000 0.000 0.248 127 A C 0.119 177.687 177.584 -0.027 0.000 1.082 127 A CA -0.329 51.705 52.037 -0.006 0.000 0.785 127 A CB 0.414 19.441 19.000 0.045 0.000 1.020 127 A HN 0.336 nan 8.150 nan 0.000 0.489 128 R N 1.706 122.177 120.500 -0.049 0.000 2.604 128 R HA 0.376 4.716 4.340 -0.000 0.000 0.287 128 R C -2.281 174.017 176.300 -0.004 0.000 0.970 128 R CA -2.302 53.754 56.100 -0.074 0.000 0.946 128 R CB 0.517 30.693 30.300 -0.207 0.000 1.127 128 R HN 0.402 nan 8.270 nan 0.000 0.473 129 P HA -0.083 nan 4.420 nan 0.000 0.221 129 P C -0.684 176.617 177.300 0.000 0.000 1.150 129 P CA 1.138 64.238 63.100 -0.000 0.000 0.800 129 P CB 0.377 32.091 31.700 0.024 0.000 0.787 130 D N -3.795 116.613 120.400 0.012 0.000 2.779 130 D HA 0.084 4.724 4.640 -0.000 0.000 0.331 130 D C -0.526 175.789 176.300 0.025 0.000 1.331 130 D CA -0.699 53.310 54.000 0.015 0.000 0.866 130 D CB -0.415 40.396 40.800 0.018 0.000 1.409 130 D HN -0.260 nan 8.370 nan 0.000 0.486 131 D N -0.887 119.530 120.400 0.028 0.000 2.371 131 D HA -0.067 4.573 4.640 -0.000 0.000 0.234 131 D C 1.249 177.574 176.300 0.041 0.000 1.049 131 D CA 0.740 54.763 54.000 0.038 0.000 0.907 131 D CB -0.312 40.510 40.800 0.036 0.000 0.891 131 D HN 0.290 nan 8.370 nan 0.000 0.531 132 S N -0.661 115.062 115.700 0.037 0.000 2.496 132 S HA 0.002 4.472 4.470 -0.000 0.000 0.224 132 S C 0.809 175.438 174.600 0.048 0.000 0.996 132 S CA -0.570 57.653 58.200 0.038 0.000 0.927 132 S CB -0.400 62.818 63.200 0.031 0.000 0.774 132 S HN 0.224 nan 8.310 nan 0.000 0.524 133 L N 3.475 124.732 121.223 0.056 0.000 2.334 133 L HA 0.369 4.709 4.340 -0.000 0.000 0.286 133 L C 0.198 177.119 176.870 0.084 0.000 1.108 133 L CA -0.219 54.665 54.840 0.073 0.000 0.875 133 L CB -0.002 42.108 42.059 0.085 0.000 1.246 133 L HN 0.315 nan 8.230 nan 0.000 0.439 134 E N 6.281 126.528 120.200 0.078 0.000 2.493 134 E HA 0.054 4.404 4.350 -0.000 0.000 0.255 134 E C -2.138 174.525 176.600 0.105 0.000 0.999 134 E CA -1.268 55.179 56.400 0.079 0.000 0.934 134 E CB 0.550 30.282 29.700 0.053 0.000 0.940 134 E HN 0.420 nan 8.360 nan 0.000 0.473 135 P HA -0.033 nan 4.420 nan 0.000 0.272 135 P C -0.070 177.318 177.300 0.147 0.000 1.230 135 P CA -0.202 62.988 63.100 0.151 0.000 0.788 135 P CB 0.367 32.145 31.700 0.131 0.000 0.949 136 F N 1.672 121.646 119.950 0.040 0.000 2.091 136 F HA -0.241 4.286 4.527 -0.000 0.000 0.299 136 F C 1.972 177.741 175.800 -0.052 0.000 1.103 136 F CA 1.548 59.519 58.000 -0.049 0.000 1.228 136 F CB -0.711 38.155 39.000 -0.223 0.000 0.984 136 F HN 0.203 nan 8.300 nan 0.000 0.477 137 F N 1.360 121.275 119.950 -0.059 0.000 2.216 137 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 137 F C 1.942 177.646 175.800 -0.161 0.000 1.085 137 F CA 2.165 60.076 58.000 -0.149 0.000 1.326 137 F CB -0.637 38.361 39.000 -0.003 0.000 1.027 137 F HN 0.044 nan 8.300 nan 0.000 0.497 138 D N -1.250 119.162 120.400 0.020 0.000 2.144 138 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 138 D C 2.356 178.569 176.300 -0.145 0.000 0.978 138 D CA 1.434 55.433 54.000 -0.002 0.000 0.833 138 D CB -0.120 40.723 40.800 0.071 0.000 0.961 138 D HN 0.131 nan 8.370 nan 0.000 0.470 139 S N 0.322 115.888 115.700 -0.223 0.000 2.368 139 S HA -0.121 4.348 4.470 -0.000 0.000 0.225 139 S C 1.761 176.129 174.600 -0.386 0.000 1.030 139 S CA 0.363 58.407 58.200 -0.261 0.000 0.999 139 S CB -0.270 62.775 63.200 -0.259 0.000 0.844 139 S HN 0.183 nan 8.310 nan 0.000 0.459 140 L N 2.106 122.939 121.223 -0.650 0.000 1.990 140 L HA -0.084 4.256 4.340 -0.000 0.000 0.213 140 L C 2.210 178.802 176.870 -0.463 0.000 1.072 140 L CA 1.791 56.220 54.840 -0.685 0.000 0.755 140 L CB -0.911 40.541 42.059 -1.011 0.000 0.889 140 L HN 0.148 nan 8.230 nan 0.000 0.432 141 V N -0.255 119.389 119.914 -0.449 0.000 2.407 141 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 141 V C 2.634 178.640 176.094 -0.147 0.000 1.055 141 V CA 2.037 64.190 62.300 -0.246 0.000 1.049 141 V CB -0.696 31.049 31.823 -0.130 0.000 0.662 141 V HN 0.471 nan 8.190 nan 0.000 0.455 142 K N -0.314 120.001 120.400 -0.142 0.000 2.097 142 K HA -0.154 4.165 4.320 -0.000 0.000 0.205 142 K C 2.063 178.593 176.600 -0.117 0.000 1.050 142 K CA 1.366 57.596 56.287 -0.095 0.000 0.938 142 K CB -0.119 32.336 32.500 -0.075 0.000 0.718 142 K HN 0.538 nan 8.250 nan 0.000 0.442 143 Q N 0.091 119.794 119.800 -0.161 0.000 2.392 143 Q HA -0.001 4.339 4.340 -0.000 0.000 0.203 143 Q C 0.492 176.368 176.000 -0.206 0.000 0.917 143 Q CA 0.498 56.203 55.803 -0.163 0.000 0.939 143 Q CB 0.815 29.460 28.738 -0.154 0.000 1.063 143 Q HN 0.298 nan 8.270 nan 0.000 0.516 144 T N -4.524 109.895 114.554 -0.226 0.000 2.716 144 T HA 0.276 4.625 4.350 -0.000 0.000 0.286 144 T C -0.088 174.474 174.700 -0.229 0.000 1.052 144 T CA -0.784 61.156 62.100 -0.267 0.000 1.024 144 T CB 0.912 69.666 68.868 -0.191 0.000 1.349 144 T HN 0.105 nan 8.240 nan 0.000 0.525 145 H N -0.996 118.043 119.070 -0.052 0.000 2.529 145 H HA 0.451 5.007 4.556 -0.000 0.000 0.277 145 H C 0.307 175.619 175.328 -0.026 0.000 1.004 145 H CA -0.494 55.535 56.048 -0.032 0.000 1.167 145 H CB 0.310 30.062 29.762 -0.018 0.000 1.445 145 H HN 0.229 nan 8.280 nan 0.000 0.554 146 V N 3.211 123.147 119.914 0.036 0.000 2.599 146 V HA -0.013 4.107 4.120 -0.000 0.000 0.300 146 V C -1.781 174.341 176.094 0.047 0.000 1.034 146 V CA -1.239 61.075 62.300 0.023 0.000 1.115 146 V CB 0.589 32.377 31.823 -0.059 0.000 0.934 146 V HN 0.182 nan 8.190 nan 0.000 0.485 147 P HA 0.077 nan 4.420 nan 0.000 0.269 147 P C -0.061 177.362 177.300 0.205 0.000 1.215 147 P CA -0.322 62.853 63.100 0.125 0.000 0.780 147 P CB 0.304 32.076 31.700 0.119 0.000 0.898 148 N N 2.657 121.490 118.700 0.221 0.000 3.193 148 N HA 0.152 4.891 4.740 -0.000 0.000 0.312 148 N C -0.892 174.843 175.510 0.375 0.000 1.261 148 N CA 0.326 53.596 53.050 0.367 0.000 1.208 148 N CB -1.238 37.408 38.487 0.264 0.000 1.471 148 N HN 0.340 nan 8.380 nan 0.000 0.548 149 L N 1.068 122.556 121.223 0.441 0.000 2.724 149 L HA 0.611 4.951 4.340 -0.000 0.000 0.258 149 L C -1.897 175.155 176.870 0.303 0.000 0.967 149 L CA -0.923 54.042 54.840 0.209 0.000 0.891 149 L CB 1.097 43.226 42.059 0.117 0.000 1.456 149 L HN 0.114 nan 8.230 nan 0.000 0.416 150 F N 0.995 120.946 119.950 0.002 0.000 2.668 150 F HA 0.890 5.417 4.527 -0.000 0.000 0.309 150 F C -1.179 174.622 175.800 0.002 0.000 1.117 150 F CA -0.342 57.661 58.000 0.005 0.000 0.951 150 F CB 1.635 40.566 39.000 -0.116 0.000 1.323 150 F HN 0.517 nan 8.300 nan 0.000 0.451 151 S N 2.011 117.821 115.700 0.183 0.000 2.548 151 S HA 0.883 5.353 4.470 -0.000 0.000 0.286 151 S C -1.585 173.127 174.600 0.187 0.000 1.098 151 S CA -0.841 57.346 58.200 -0.021 0.000 0.930 151 S CB 1.979 65.004 63.200 -0.293 0.000 1.070 151 S HN 0.878 nan 8.310 nan 0.000 0.480 152 L N 1.655 122.945 121.223 0.112 0.000 2.385 152 L HA 0.589 4.929 4.340 -0.000 0.000 0.273 152 L C -0.557 176.440 176.870 0.210 0.000 0.990 152 L CA -0.431 54.519 54.840 0.183 0.000 0.821 152 L CB 2.177 44.341 42.059 0.175 0.000 1.279 152 L HN 0.798 nan 8.230 nan 0.000 0.412 153 Q N 4.640 124.560 119.800 0.199 0.000 2.394 153 Q HA 0.479 4.819 4.340 -0.000 0.000 0.261 153 Q C -1.748 174.204 176.000 -0.080 0.000 1.023 153 Q CA -0.532 55.356 55.803 0.141 0.000 0.720 153 Q CB 1.346 30.152 28.738 0.113 0.000 1.241 153 Q HN 0.628 nan 8.270 nan 0.000 0.483 154 L N 3.254 124.358 121.223 -0.199 0.000 2.276 154 L HA 0.475 4.814 4.340 -0.000 0.000 0.286 154 L C -0.577 176.069 176.870 -0.374 0.000 1.061 154 L CA -0.823 53.676 54.840 -0.569 0.000 0.807 154 L CB 1.211 42.824 42.059 -0.744 0.000 1.177 154 L HN 0.656 nan 8.230 nan 0.000 0.429 155 c N 3.194 121.603 118.600 -0.318 0.000 2.239 155 c HA 0.514 5.083 4.570 -0.000 0.000 0.323 155 c C 1.062 175.168 174.090 0.027 0.000 1.205 155 c CA -0.960 55.312 56.329 -0.096 0.000 1.584 155 c CB 0.092 42.569 42.510 -0.055 0.000 2.201 155 c HN 0.925 nan 8.230 nan 0.000 0.475 156 G N 1.792 110.602 108.800 0.016 0.000 2.432 156 G HA2 0.460 4.420 3.960 -0.000 0.000 0.257 156 G HA3 0.460 4.420 3.960 -0.000 0.000 0.257 156 G C 0.775 175.615 174.900 -0.100 0.000 1.238 156 G CA 0.233 45.349 45.100 0.027 0.000 0.838 156 G HN 0.958 nan 8.290 nan 0.000 0.547 157 A N 0.850 123.531 122.820 -0.231 0.000 1.970 157 A HA 0.421 4.741 4.320 -0.000 0.000 0.216 157 A C 2.147 179.433 177.584 -0.496 0.000 1.170 157 A CA 1.681 53.418 52.037 -0.500 0.000 0.645 157 A CB -0.454 17.974 19.000 -0.954 0.000 0.816 157 A HN 2.282 nan 8.150 nan 0.000 0.447 158 G N -2.380 106.243 108.800 -0.294 0.000 2.194 158 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.236 158 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.236 158 G C 0.128 175.113 174.900 0.141 0.000 0.987 158 G CA 0.365 45.440 45.100 -0.041 0.000 0.635 158 G HN 1.392 nan 8.290 nan 0.000 0.520 159 F N -1.063 118.925 119.950 0.065 0.000 2.662 159 F HA 0.841 5.368 4.527 -0.000 0.000 0.312 159 F C -2.622 173.184 175.800 0.011 0.000 1.113 159 F CA -2.804 55.223 58.000 0.045 0.000 0.951 159 F CB 0.567 39.588 39.000 0.035 0.000 1.344 159 F HN -0.019 nan 8.300 nan 0.000 0.462 160 P HA 0.338 nan 4.420 nan 0.000 0.271 160 P C -1.201 176.179 177.300 0.134 0.000 1.218 160 P CA -0.071 63.073 63.100 0.073 0.000 0.780 160 P CB 1.496 33.220 31.700 0.039 0.000 0.901 161 L N 2.685 123.926 121.223 0.031 0.000 2.356 161 L HA 0.402 4.742 4.340 -0.000 0.000 0.277 161 L C 1.130 178.015 176.870 0.025 0.000 0.996 161 L CA -0.815 54.053 54.840 0.046 0.000 0.822 161 L CB 1.516 43.558 42.059 -0.028 0.000 1.256 161 L HN 0.467 nan 8.230 nan 0.000 0.413 162 N N 1.235 119.959 118.700 0.039 0.000 2.379 162 N HA 0.062 4.802 4.740 -0.000 0.000 0.260 162 N C 0.561 176.075 175.510 0.006 0.000 1.254 162 N CA -0.732 52.327 53.050 0.016 0.000 0.958 162 N CB 1.038 39.536 38.487 0.020 0.000 1.208 162 N HN 0.551 nan 8.380 nan 0.000 0.532 163 Q N 0.716 120.513 119.800 -0.005 0.000 2.156 163 Q HA -0.252 4.088 4.340 -0.000 0.000 0.211 163 Q C 2.016 178.019 176.000 0.005 0.000 0.995 163 Q CA 2.324 58.122 55.803 -0.009 0.000 0.877 163 Q CB -0.657 28.074 28.738 -0.012 0.000 0.920 163 Q HN 0.744 nan 8.270 nan 0.000 0.416 164 S N -1.117 114.590 115.700 0.012 0.000 2.402 164 S HA -0.125 4.344 4.470 -0.000 0.000 0.229 164 S C 1.561 176.176 174.600 0.025 0.000 1.021 164 S CA 1.257 59.468 58.200 0.018 0.000 0.974 164 S CB -0.153 63.058 63.200 0.018 0.000 0.800 164 S HN 0.560 nan 8.310 nan 0.000 0.484 165 E N 0.121 120.339 120.200 0.031 0.000 2.076 165 E HA -0.013 4.337 4.350 -0.000 0.000 0.190 165 E C 2.127 178.742 176.600 0.025 0.000 0.979 165 E CA 1.045 57.471 56.400 0.043 0.000 0.807 165 E CB -0.150 29.597 29.700 0.078 0.000 0.761 165 E HN 0.317 nan 8.360 nan 0.000 0.454 166 V N 1.611 121.531 119.914 0.009 0.000 2.392 166 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 166 V C 2.244 178.346 176.094 0.013 0.000 1.059 166 V CA 1.488 63.783 62.300 -0.008 0.000 1.051 166 V CB -0.399 31.418 31.823 -0.009 0.000 0.658 166 V HN 0.276 nan 8.190 nan 0.000 0.455 167 L N -0.074 121.168 121.223 0.032 0.000 2.046 167 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 167 L C 2.438 179.327 176.870 0.031 0.000 1.077 167 L CA 1.692 56.560 54.840 0.047 0.000 0.747 167 L CB -0.574 41.507 42.059 0.037 0.000 0.896 167 L HN 0.365 nan 8.230 nan 0.000 0.432 168 A N -0.958 121.875 122.820 0.022 0.000 2.238 168 A HA 0.092 4.412 4.320 -0.000 0.000 0.210 168 A C 1.104 178.694 177.584 0.010 0.000 1.179 168 A CA 0.382 52.430 52.037 0.017 0.000 0.827 168 A CB -0.198 18.815 19.000 0.021 0.000 0.856 168 A HN 0.415 nan 8.150 nan 0.000 0.488 169 S N -0.913 114.790 115.700 0.005 0.000 2.608 169 S HA 0.602 5.072 4.470 -0.000 0.000 0.291 169 S C -0.367 174.219 174.600 -0.024 0.000 1.146 169 S CA -0.670 57.529 58.200 -0.001 0.000 1.043 169 S CB 1.566 64.769 63.200 0.006 0.000 1.037 169 S HN 0.116 nan 8.310 nan 0.000 0.520 170 V N 2.484 122.385 119.914 -0.023 0.000 2.427 170 V HA 0.407 4.527 4.120 -0.000 0.000 0.268 170 V C 1.427 177.512 176.094 -0.015 0.000 1.046 170 V CA 0.312 62.592 62.300 -0.034 0.000 0.970 170 V CB 0.583 32.386 31.823 -0.034 0.000 1.001 170 V HN 1.184 nan 8.190 nan 0.000 0.476 171 G N 3.001 111.799 108.800 -0.003 0.000 3.042 171 G HA2 0.536 4.496 3.960 -0.000 0.000 0.212 171 G HA3 0.536 4.496 3.960 -0.000 0.000 0.212 171 G C 0.598 175.532 174.900 0.057 0.000 1.166 171 G CA 0.594 45.771 45.100 0.129 0.000 0.767 171 G HN 1.293 nan 8.290 nan 0.000 0.546 172 G N -1.059 107.724 108.800 -0.029 0.000 2.302 172 G HA2 0.337 4.296 3.960 -0.000 0.000 0.276 172 G HA3 0.337 4.296 3.960 -0.000 0.000 0.276 172 G C -1.053 173.819 174.900 -0.047 0.000 1.316 172 G CA -0.169 44.886 45.100 -0.076 0.000 0.988 172 G HN 0.725 nan 8.290 nan 0.000 0.479 173 S N -0.446 115.240 115.700 -0.024 0.000 2.541 173 S HA 0.724 5.194 4.470 -0.000 0.000 0.280 173 S C -0.443 174.204 174.600 0.077 0.000 1.112 173 S CA -0.406 57.810 58.200 0.027 0.000 0.925 173 S CB 1.776 65.002 63.200 0.042 0.000 1.067 173 S HN 0.950 nan 8.310 nan 0.000 0.479 174 M N 4.260 123.909 119.600 0.081 0.000 2.046 174 M HA 0.481 4.961 4.480 -0.000 0.000 0.309 174 M C -1.835 174.557 176.300 0.153 0.000 0.935 174 M CA -0.698 54.669 55.300 0.111 0.000 0.915 174 M CB 0.255 32.875 32.600 0.034 0.000 1.474 174 M HN 0.441 nan 8.290 nan 0.000 0.415 175 I N 6.489 127.193 120.570 0.222 0.000 2.297 175 I HA 0.265 4.434 4.170 -0.000 0.000 0.291 175 I C -0.294 175.978 176.117 0.259 0.000 1.033 175 I CA -0.565 60.868 61.300 0.222 0.000 1.253 175 I CB 0.358 38.513 38.000 0.258 0.000 1.396 175 I HN 0.681 nan 8.210 nan 0.000 0.476 176 I N 5.335 126.046 120.570 0.235 0.000 2.352 176 I HA 0.414 4.584 4.170 -0.000 0.000 0.290 176 I C 1.214 177.491 176.117 0.266 0.000 1.036 176 I CA 0.450 61.933 61.300 0.305 0.000 1.336 176 I CB 0.950 39.097 38.000 0.244 0.000 1.407 176 I HN 0.852 nan 8.210 nan 0.000 0.497 177 G N 3.583 112.584 108.800 0.336 0.000 2.157 177 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.248 177 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.248 177 G C 0.275 175.286 174.900 0.185 0.000 0.979 177 G CA -0.175 45.071 45.100 0.244 0.000 0.650 177 G HN 1.199 nan 8.290 nan 0.000 0.529 178 G N -1.253 107.661 108.800 0.191 0.000 2.561 178 G HA2 0.661 4.620 3.960 -0.000 0.000 0.310 178 G HA3 0.661 4.620 3.960 -0.000 0.000 0.310 178 G C -1.586 173.425 174.900 0.186 0.000 1.292 178 G CA -0.414 44.782 45.100 0.161 0.000 0.811 178 G HN 0.789 nan 8.290 nan 0.000 0.482 179 I N 0.910 121.612 120.570 0.219 0.000 2.499 179 I HA 0.314 4.484 4.170 -0.000 0.000 0.288 179 I C -1.474 174.881 176.117 0.396 0.000 1.048 179 I CA -0.628 60.880 61.300 0.347 0.000 1.062 179 I CB 2.407 40.605 38.000 0.331 0.000 1.238 179 I HN 0.345 nan 8.210 nan 0.000 0.426 180 D N 5.435 126.102 120.400 0.445 0.000 2.392 180 D HA 0.216 4.855 4.640 -0.000 0.000 0.228 180 D C 0.920 177.392 176.300 0.286 0.000 1.074 180 D CA -0.243 53.908 54.000 0.251 0.000 0.838 180 D CB 0.861 41.729 40.800 0.115 0.000 1.067 180 D HN 0.621 nan 8.370 nan 0.000 0.511 181 H N 1.336 120.447 119.070 0.068 0.000 2.489 181 H HA -0.122 4.434 4.556 -0.000 0.000 0.295 181 H C 1.984 177.111 175.328 -0.336 0.000 1.082 181 H CA 1.054 57.020 56.048 -0.136 0.000 1.295 181 H CB 0.562 30.249 29.762 -0.126 0.000 1.380 181 H HN 0.359 nan 8.280 nan 0.000 0.548 182 S N 0.755 116.408 115.700 -0.079 0.000 2.481 182 S HA -0.031 4.438 4.470 -0.000 0.000 0.231 182 S C 1.796 176.282 174.600 -0.189 0.000 0.996 182 S CA 0.339 58.458 58.200 -0.134 0.000 0.942 182 S CB -0.322 62.830 63.200 -0.080 0.000 0.768 182 S HN 0.346 nan 8.310 nan 0.000 0.520 183 L N 0.414 121.477 121.223 -0.267 0.000 2.599 183 L HA 0.284 4.623 4.340 -0.000 0.000 0.230 183 L C 0.505 177.243 176.870 -0.221 0.000 1.141 183 L CA -0.084 54.533 54.840 -0.371 0.000 0.877 183 L CB -0.556 41.010 42.059 -0.823 0.000 1.009 183 L HN 0.604 nan 8.230 nan 0.000 0.447 184 Y N -2.450 117.705 120.300 -0.242 0.000 2.705 184 Y HA 0.665 5.215 4.550 -0.000 0.000 0.332 184 Y C -0.463 175.417 175.900 -0.035 0.000 1.221 184 Y CA -1.513 56.539 58.100 -0.080 0.000 1.059 184 Y CB 0.982 39.463 38.460 0.035 0.000 1.298 184 Y HN -0.112 nan 8.280 nan 0.000 0.459 185 T N -1.099 113.530 114.554 0.126 0.000 2.906 185 T HA 0.787 5.137 4.350 -0.000 0.000 0.295 185 T C 0.309 175.115 174.700 0.177 0.000 1.075 185 T CA -0.266 61.845 62.100 0.019 0.000 1.005 185 T CB 1.111 69.989 68.868 0.017 0.000 1.136 185 T HN 2.417 nan 8.240 nan 0.000 0.498 186 G N 1.443 110.302 108.800 0.099 0.000 2.593 186 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.237 186 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.237 186 G C -0.204 174.816 174.900 0.200 0.000 1.312 186 G CA -0.235 44.947 45.100 0.138 0.000 0.896 186 G HN 1.289 nan 8.290 nan 0.000 0.574 187 S N -0.724 115.081 115.700 0.174 0.000 2.651 187 S HA 0.692 5.161 4.470 -0.000 0.000 0.291 187 S C 0.294 174.893 174.600 -0.001 0.000 1.141 187 S CA -0.557 57.685 58.200 0.069 0.000 1.027 187 S CB 1.530 64.692 63.200 -0.063 0.000 1.043 187 S HN 0.646 nan 8.310 nan 0.000 0.530 188 L N 1.826 122.914 121.223 -0.224 0.000 2.292 188 L HA 0.417 4.757 4.340 -0.000 0.000 0.284 188 L C -1.267 175.269 176.870 -0.558 0.000 1.065 188 L CA -0.272 54.312 54.840 -0.426 0.000 0.806 188 L CB 0.681 42.415 42.059 -0.542 0.000 1.175 188 L HN 0.651 nan 8.230 nan 0.000 0.431 189 W N 2.772 123.681 121.300 -0.652 0.000 2.587 189 W HA 0.446 5.106 4.660 -0.000 0.000 0.324 189 W C -0.805 175.123 176.519 -0.985 0.000 1.040 189 W CA -0.239 56.578 57.345 -0.879 0.000 1.222 189 W CB 1.271 29.874 29.460 -1.429 0.000 1.381 189 W HN 0.207 nan 8.180 nan 0.000 0.483 190 Y N 1.643 121.731 120.300 -0.353 0.000 2.360 190 Y HA 0.534 5.084 4.550 -0.000 0.000 0.337 190 Y C 0.598 176.622 175.900 0.208 0.000 1.039 190 Y CA -0.724 57.331 58.100 -0.075 0.000 1.109 190 Y CB 2.080 40.487 38.460 -0.087 0.000 1.201 190 Y HN 0.149 nan 8.280 nan 0.000 0.458 191 T N 4.539 119.392 114.554 0.499 0.000 2.885 191 T HA 0.533 4.883 4.350 -0.000 0.000 0.285 191 T C -2.855 172.027 174.700 0.304 0.000 1.019 191 T CA -2.663 59.718 62.100 0.469 0.000 1.010 191 T CB 1.176 70.295 68.868 0.418 0.000 1.022 191 T HN 0.248 nan 8.240 nan 0.000 0.466 192 P HA 0.337 nan 4.420 nan 0.000 0.275 192 P C -0.614 176.800 177.300 0.189 0.000 1.228 192 P CA -0.281 62.928 63.100 0.181 0.000 0.786 192 P CB 0.365 32.151 31.700 0.143 0.000 0.927 193 I N 3.409 124.091 120.570 0.185 0.000 2.322 193 I HA 0.164 4.333 4.170 -0.000 0.000 0.292 193 I C 1.969 178.186 176.117 0.167 0.000 1.060 193 I CA -0.086 61.346 61.300 0.220 0.000 1.309 193 I CB 0.554 38.710 38.000 0.259 0.000 1.415 193 I HN 0.434 nan 8.210 nan 0.000 0.492 194 R N 5.631 126.241 120.500 0.183 0.000 2.091 194 R HA 0.005 4.345 4.340 -0.000 0.000 0.238 194 R C 0.750 177.115 176.300 0.108 0.000 1.136 194 R CA 1.356 57.544 56.100 0.146 0.000 0.959 194 R CB 0.308 30.713 30.300 0.175 0.000 0.856 194 R HN 0.549 nan 8.270 nan 0.000 0.437 195 R N 0.190 120.784 120.500 0.158 0.000 2.604 195 R HA 0.106 4.445 4.340 -0.000 0.000 0.270 195 R C -1.591 174.787 176.300 0.129 0.000 1.052 195 R CA -0.449 55.690 56.100 0.065 0.000 0.902 195 R CB 1.765 32.028 30.300 -0.062 0.000 1.233 195 R HN 0.107 nan 8.270 nan 0.000 0.455 196 E N 4.540 124.648 120.200 -0.154 0.000 1.861 196 E HA 0.084 4.434 4.350 -0.000 0.000 0.263 196 E C -0.018 176.505 176.600 -0.129 0.000 1.137 196 E CA 0.026 56.077 56.400 -0.583 0.000 0.944 196 E CB 0.286 29.253 29.700 -1.221 0.000 1.092 196 E HN 0.460 nan 8.360 nan 0.000 0.420 197 W N 1.912 123.152 121.300 -0.101 0.000 4.565 197 W HA 0.186 4.846 4.660 -0.000 0.000 0.169 197 W C -0.408 176.087 176.519 -0.040 0.000 3.393 197 W CA -0.248 57.072 57.345 -0.042 0.000 1.387 197 W CB -0.420 29.007 29.460 -0.054 0.000 1.999 197 W HN 0.065 nan 8.180 nan 0.000 0.487 198 Y N 0.613 120.641 120.300 -0.454 0.000 2.344 198 Y HA 0.337 4.887 4.550 -0.000 0.000 0.330 198 Y C -0.190 175.632 175.900 -0.129 0.000 1.330 198 Y CA -0.366 57.506 58.100 -0.380 0.000 1.479 198 Y CB 0.108 38.188 38.460 -0.632 0.000 1.428 198 Y HN -0.166 nan 8.280 nan 0.000 0.544 199 Y N 1.043 121.529 120.300 0.309 0.000 2.636 199 Y HA 0.124 4.674 4.550 -0.000 0.000 0.341 199 Y C 0.323 176.384 175.900 0.268 0.000 1.169 199 Y CA -0.362 57.953 58.100 0.358 0.000 1.498 199 Y CB -0.151 38.549 38.460 0.400 0.000 1.362 199 Y HN 0.406 nan 8.280 nan 0.000 0.494 200 E N 3.092 123.503 120.200 0.352 0.000 2.283 200 E HA 0.503 4.853 4.350 -0.000 0.000 0.278 200 E C -0.781 175.985 176.600 0.276 0.000 1.027 200 E CA -0.595 55.988 56.400 0.304 0.000 0.843 200 E CB 0.889 30.857 29.700 0.447 0.000 1.062 200 E HN 0.427 nan 8.360 nan 0.000 0.401 201 V N 1.471 121.514 119.914 0.215 0.000 3.156 201 V HA 0.645 4.765 4.120 -0.000 0.000 0.311 201 V C -0.547 175.629 176.094 0.136 0.000 1.208 201 V CA -1.014 61.392 62.300 0.177 0.000 1.063 201 V CB 1.624 33.542 31.823 0.159 0.000 1.098 201 V HN 0.660 nan 8.190 nan 0.000 0.452 202 I N 1.405 122.035 120.570 0.100 0.000 2.439 202 I HA 0.480 4.650 4.170 -0.000 0.000 0.285 202 I C -0.856 175.278 176.117 0.029 0.000 1.021 202 I CA -0.384 60.968 61.300 0.086 0.000 1.091 202 I CB 1.847 39.906 38.000 0.098 0.000 1.242 202 I HN 0.506 nan 8.210 nan 0.000 0.439 203 I N 6.700 127.292 120.570 0.037 0.000 2.342 203 I HA 0.120 4.290 4.170 -0.000 0.000 0.291 203 I C 1.163 177.327 176.117 0.079 0.000 1.010 203 I CA -0.243 61.047 61.300 -0.017 0.000 1.308 203 I CB 1.617 39.591 38.000 -0.044 0.000 1.400 203 I HN 0.482 nan 8.210 nan 0.000 0.488 204 V N 2.751 122.683 119.914 0.029 0.000 3.661 204 V HA 0.391 4.510 4.120 -0.000 0.000 0.271 204 V C 0.561 176.703 176.094 0.079 0.000 1.315 204 V CA 0.094 62.441 62.300 0.078 0.000 1.072 204 V CB -0.103 31.730 31.823 0.017 0.000 0.830 204 V HN 0.869 nan 8.190 nan 0.000 0.443 205 R N -0.479 119.991 120.500 -0.050 0.000 2.634 205 R HA 0.670 5.010 4.340 -0.000 0.000 0.263 205 R C -2.506 173.605 176.300 -0.316 0.000 1.060 205 R CA -0.383 55.611 56.100 -0.177 0.000 0.898 205 R CB 2.665 32.631 30.300 -0.558 0.000 1.253 205 R HN 0.052 nan 8.270 nan 0.000 0.461 206 V N 2.778 122.447 119.914 -0.409 0.000 2.638 206 V HA 0.462 4.581 4.120 -0.000 0.000 0.306 206 V C -0.758 175.252 176.094 -0.140 0.000 1.052 206 V CA -0.684 61.403 62.300 -0.354 0.000 0.885 206 V CB 1.976 33.413 31.823 -0.643 0.000 0.999 206 V HN 0.785 nan 8.190 nan 0.000 0.424 207 E N 4.273 124.443 120.200 -0.049 0.000 2.277 207 E HA 0.635 4.985 4.350 -0.000 0.000 0.266 207 E C -1.452 175.145 176.600 -0.005 0.000 0.901 207 E CA -0.858 55.536 56.400 -0.010 0.000 0.782 207 E CB 2.598 32.328 29.700 0.051 0.000 1.228 207 E HN 0.371 nan 8.360 nan 0.000 0.424 208 I N 2.496 123.071 120.570 0.009 0.000 2.448 208 I HA 0.188 4.358 4.170 -0.000 0.000 0.281 208 I C -0.050 176.096 176.117 0.049 0.000 1.027 208 I CA -0.399 60.920 61.300 0.032 0.000 1.111 208 I CB 0.589 38.602 38.000 0.021 0.000 1.236 208 I HN 0.758 nan 8.210 nan 0.000 0.452 209 N N 4.711 123.455 118.700 0.074 0.000 2.714 209 N HA -0.237 4.503 4.740 -0.000 0.000 0.253 209 N C 1.199 176.738 175.510 0.048 0.000 1.024 209 N CA 0.630 53.724 53.050 0.073 0.000 0.726 209 N CB -0.353 38.180 38.487 0.077 0.000 0.908 209 N HN 1.154 nan 8.380 nan 0.000 0.542 210 G N -0.191 108.634 108.800 0.042 0.000 2.245 210 G HA2 -0.396 3.563 3.960 -0.000 0.000 0.264 210 G HA3 -0.396 3.563 3.960 -0.000 0.000 0.264 210 G C -0.072 174.835 174.900 0.013 0.000 0.985 210 G CA 0.782 45.901 45.100 0.032 0.000 0.625 210 G HN 0.615 nan 8.290 nan 0.000 0.536 211 Q N 1.035 120.841 119.800 0.010 0.000 2.322 211 Q HA 0.438 4.778 4.340 -0.000 0.000 0.256 211 Q C -0.397 175.593 176.000 -0.016 0.000 0.960 211 Q CA -0.650 55.150 55.803 -0.005 0.000 0.934 211 Q CB 0.570 29.307 28.738 -0.001 0.000 1.200 211 Q HN 0.247 nan 8.270 nan 0.000 0.435 212 D N 3.625 124.005 120.400 -0.034 0.000 2.450 212 D HA -0.086 4.554 4.640 -0.000 0.000 0.247 212 D C 0.626 176.919 176.300 -0.011 0.000 1.162 212 D CA 0.003 53.976 54.000 -0.045 0.000 0.879 212 D CB 0.906 41.664 40.800 -0.069 0.000 1.163 212 D HN 0.581 nan 8.370 nan 0.000 0.472 213 L N 3.874 125.107 121.223 0.017 0.000 2.362 213 L HA 0.009 4.349 4.340 -0.000 0.000 0.219 213 L C 1.372 178.281 176.870 0.064 0.000 1.134 213 L CA 0.978 55.850 54.840 0.053 0.000 0.807 213 L CB -1.036 41.090 42.059 0.111 0.000 0.927 213 L HN 0.749 nan 8.230 nan 0.000 0.447 214 K N 0.092 120.529 120.400 0.063 0.000 3.419 214 K HA -0.232 4.087 4.320 -0.000 0.000 0.272 214 K C -0.387 176.208 176.600 -0.009 0.000 0.973 214 K CA 0.435 56.734 56.287 0.020 0.000 0.749 214 K CB -0.875 31.617 32.500 -0.013 0.000 1.403 214 K HN 0.292 nan 8.250 nan 0.000 0.456 215 M N 0.428 120.012 119.600 -0.026 0.000 2.644 215 M HA 0.182 4.661 4.480 -0.000 0.000 0.316 215 M C 0.049 176.167 176.300 -0.304 0.000 1.200 215 M CA -1.010 54.178 55.300 -0.186 0.000 0.944 215 M CB 1.094 33.529 32.600 -0.275 0.000 1.691 215 M HN 0.117 nan 8.290 nan 0.000 0.471 216 D N 0.982 121.222 120.400 -0.267 0.000 2.450 216 D HA -0.001 4.639 4.640 -0.000 0.000 0.247 216 D C 1.060 177.118 176.300 -0.403 0.000 1.162 216 D CA -0.294 53.567 54.000 -0.232 0.000 0.879 216 D CB 0.947 41.651 40.800 -0.160 0.000 1.163 216 D HN 0.777 nan 8.370 nan 0.000 0.472 217 C N 3.942 123.058 119.300 -0.307 0.000 2.409 217 C HA -0.053 4.407 4.460 -0.000 0.000 0.284 217 C C 2.083 176.970 174.990 -0.172 0.000 1.354 217 C CA -0.026 58.815 59.018 -0.295 0.000 1.787 217 C CB -0.667 27.078 27.740 0.007 0.000 1.900 217 C HN 0.614 nan 8.230 nan 0.000 0.520 218 K N 0.888 121.228 120.400 -0.102 0.000 2.147 218 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 218 K C 2.126 178.743 176.600 0.028 0.000 1.049 218 K CA 1.330 57.635 56.287 0.031 0.000 0.936 218 K CB -0.208 32.337 32.500 0.074 0.000 0.722 218 K HN 0.586 nan 8.250 nan 0.000 0.446 219 E N 0.233 120.348 120.200 -0.141 0.000 2.110 219 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 219 E C 1.896 178.519 176.600 0.039 0.000 0.988 219 E CA 1.293 57.631 56.400 -0.103 0.000 0.804 219 E CB -0.335 29.225 29.700 -0.233 0.000 0.745 219 E HN 0.545 nan 8.360 nan 0.000 0.458 220 Y N 0.804 121.141 120.300 0.060 0.000 2.352 220 Y HA -0.061 4.489 4.550 -0.000 0.000 0.292 220 Y C 1.549 177.481 175.900 0.052 0.000 1.136 220 Y CA 0.444 58.571 58.100 0.044 0.000 1.227 220 Y CB 0.136 38.605 38.460 0.015 0.000 0.991 220 Y HN 0.042 nan 8.280 nan 0.000 0.545 221 N N -0.969 117.860 118.700 0.214 0.000 2.282 221 N HA -0.042 4.697 4.740 -0.000 0.000 0.240 221 N C -0.706 174.871 175.510 0.112 0.000 1.182 221 N CA -0.158 52.986 53.050 0.156 0.000 0.874 221 N CB 0.096 38.690 38.487 0.178 0.000 1.126 221 N HN 0.184 nan 8.380 nan 0.000 0.516 222 Y N 3.216 123.485 120.300 -0.052 0.000 2.784 222 Y HA -0.023 4.526 4.550 -0.000 0.000 0.355 222 Y C 0.916 176.599 175.900 -0.362 0.000 1.198 222 Y CA 0.548 58.496 58.100 -0.254 0.000 1.588 222 Y CB -0.356 37.992 38.460 -0.185 0.000 1.220 222 Y HN 0.195 nan 8.280 nan 0.000 0.517 223 D N 2.019 121.823 120.400 -0.993 0.000 3.434 223 D HA -0.182 4.458 4.640 -0.000 0.000 0.229 223 D C -0.987 175.228 176.300 -0.140 0.000 0.796 223 D CA 1.871 55.407 54.000 -0.774 0.000 2.080 223 D CB -1.134 39.284 40.800 -0.637 0.000 1.232 223 D HN 0.693 nan 8.370 nan 0.000 0.579 224 K N -0.897 119.446 120.400 -0.094 0.000 2.711 224 K HA 0.717 5.037 4.320 -0.000 0.000 0.294 224 K C -1.666 174.931 176.600 -0.005 0.000 1.037 224 K CA -0.821 55.499 56.287 0.055 0.000 0.858 224 K CB 1.447 34.003 32.500 0.094 0.000 1.521 224 K HN 0.068 nan 8.250 nan 0.000 0.386 225 S N 0.924 116.652 115.700 0.046 0.000 2.561 225 S HA 0.661 5.131 4.470 -0.000 0.000 0.303 225 S C -0.626 173.997 174.600 0.038 0.000 1.110 225 S CA -0.842 57.374 58.200 0.028 0.000 1.034 225 S CB 0.577 63.814 63.200 0.062 0.000 1.010 225 S HN 0.580 nan 8.310 nan 0.000 0.482 226 I N -0.563 120.009 120.570 0.004 0.000 3.042 226 I HA 0.814 4.984 4.170 -0.000 0.000 0.310 226 I C -1.337 174.858 176.117 0.130 0.000 1.117 226 I CA -1.266 60.071 61.300 0.062 0.000 1.003 226 I CB 1.880 39.837 38.000 -0.070 0.000 1.228 226 I HN 0.260 nan 8.210 nan 0.000 0.443 227 V N 2.468 122.526 119.914 0.240 0.000 2.347 227 V HA 0.421 4.541 4.120 -0.000 0.000 0.280 227 V C -1.022 175.233 176.094 0.269 0.000 1.021 227 V CA 0.024 62.481 62.300 0.262 0.000 0.847 227 V CB 0.984 32.989 31.823 0.304 0.000 0.990 227 V HN 0.745 nan 8.190 nan 0.000 0.444 228 D N 2.804 123.315 120.400 0.185 0.000 2.421 228 D HA 0.240 4.880 4.640 -0.000 0.000 0.254 228 D C 1.041 177.406 176.300 0.108 0.000 1.238 228 D CA -0.101 53.985 54.000 0.144 0.000 0.919 228 D CB 1.978 42.839 40.800 0.103 0.000 1.152 228 D HN 0.472 nan 8.370 nan 0.000 0.552 229 S N 1.384 117.133 115.700 0.081 0.000 2.515 229 S HA 0.013 4.483 4.470 -0.000 0.000 0.231 229 S C 1.726 176.353 174.600 0.046 0.000 0.987 229 S CA 0.558 58.794 58.200 0.059 0.000 0.936 229 S CB 0.086 63.289 63.200 0.006 0.000 0.766 229 S HN 0.401 nan 8.310 nan 0.000 0.528 230 G N 0.297 109.110 108.800 0.022 0.000 3.233 230 G HA2 0.344 4.303 3.960 -0.000 0.000 0.227 230 G HA3 0.344 4.303 3.960 -0.000 0.000 0.227 230 G C -0.042 174.862 174.900 0.006 0.000 1.175 230 G CA -0.144 44.944 45.100 -0.019 0.000 0.781 230 G HN 0.451 nan 8.290 nan 0.000 0.542 231 T N -0.308 114.270 114.554 0.039 0.000 2.824 231 T HA 0.365 4.715 4.350 -0.000 0.000 0.282 231 T C 1.251 175.981 174.700 0.050 0.000 0.993 231 T CA -0.384 61.739 62.100 0.038 0.000 0.967 231 T CB 2.038 70.927 68.868 0.035 0.000 0.960 231 T HN -0.029 nan 8.240 nan 0.000 0.441 232 T N 3.153 117.732 114.554 0.041 0.000 2.668 232 T HA -0.011 4.338 4.350 -0.000 0.000 0.262 232 T C 1.109 175.835 174.700 0.043 0.000 1.045 232 T CA 1.016 63.145 62.100 0.049 0.000 1.152 232 T CB -0.087 68.801 68.868 0.034 0.000 0.864 232 T HN 0.432 nan 8.240 nan 0.000 0.419 233 N N 0.782 119.491 118.700 0.015 0.000 2.405 233 N HA 0.317 5.056 4.740 -0.000 0.000 0.269 233 N C -0.707 174.804 175.510 0.002 0.000 1.249 233 N CA -0.582 52.464 53.050 -0.006 0.000 0.974 233 N CB 0.252 38.709 38.487 -0.049 0.000 1.204 233 N HN 0.146 nan 8.380 nan 0.000 0.565 234 L N 1.248 122.461 121.223 -0.017 0.000 2.260 234 L HA 0.336 4.676 4.340 -0.000 0.000 0.289 234 L C -0.389 176.466 176.870 -0.024 0.000 1.057 234 L CA -0.363 54.473 54.840 -0.006 0.000 0.811 234 L CB 0.150 42.201 42.059 -0.013 0.000 1.184 234 L HN 0.304 nan 8.230 nan 0.000 0.429 235 R N 6.228 126.719 120.500 -0.016 0.000 2.445 235 R HA 0.644 4.983 4.340 -0.000 0.000 0.308 235 R C -1.241 175.062 176.300 0.005 0.000 0.961 235 R CA -0.779 55.303 56.100 -0.031 0.000 0.862 235 R CB 2.106 32.373 30.300 -0.054 0.000 1.144 235 R HN 0.593 nan 8.270 nan 0.000 0.447 236 L N 3.386 124.637 121.223 0.047 0.000 2.354 236 L HA 0.517 4.857 4.340 -0.000 0.000 0.269 236 L C -2.361 174.572 176.870 0.106 0.000 1.005 236 L CA -2.666 52.239 54.840 0.109 0.000 0.819 236 L CB 2.233 44.418 42.059 0.210 0.000 1.311 236 L HN 0.248 nan 8.230 nan 0.000 0.423 237 P HA -0.011 nan 4.420 nan 0.000 0.267 237 P C 0.255 177.657 177.300 0.170 0.000 1.200 237 P CA -0.158 63.014 63.100 0.119 0.000 0.772 237 P CB 0.681 32.481 31.700 0.168 0.000 0.855 238 K N 3.758 124.243 120.400 0.142 0.000 2.071 238 K HA -0.295 4.025 4.320 -0.000 0.000 0.217 238 K C 1.388 178.112 176.600 0.207 0.000 1.054 238 K CA 2.108 58.500 56.287 0.175 0.000 0.937 238 K CB -0.199 32.373 32.500 0.121 0.000 0.719 238 K HN 0.266 nan 8.250 nan 0.000 0.454 239 K N 0.036 120.520 120.400 0.141 0.000 2.057 239 K HA -0.112 4.207 4.320 -0.000 0.000 0.207 239 K C 2.116 178.784 176.600 0.113 0.000 1.049 239 K CA 1.631 57.975 56.287 0.096 0.000 0.931 239 K CB -0.053 32.466 32.500 0.032 0.000 0.714 239 K HN 0.057 nan 8.250 nan 0.000 0.440 240 V N 1.052 121.061 119.914 0.158 0.000 2.307 240 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 240 V C 1.985 178.178 176.094 0.164 0.000 1.045 240 V CA 1.587 63.998 62.300 0.185 0.000 1.024 240 V CB -0.564 31.415 31.823 0.260 0.000 0.651 240 V HN 0.213 nan 8.190 nan 0.000 0.449 241 F N 1.461 121.456 119.950 0.075 0.000 2.120 241 F HA -0.205 4.322 4.527 -0.000 0.000 0.300 241 F C 2.452 178.297 175.800 0.075 0.000 1.095 241 F CA 2.016 60.060 58.000 0.073 0.000 1.249 241 F CB -0.185 38.857 39.000 0.071 0.000 0.995 241 F HN 0.127 nan 8.300 nan 0.000 0.480 242 E N 0.531 120.747 120.200 0.026 0.000 2.072 242 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 242 E C 2.440 178.959 176.600 -0.135 0.000 0.985 242 E CA 1.152 57.495 56.400 -0.095 0.000 0.801 242 E CB -0.879 28.849 29.700 0.047 0.000 0.750 242 E HN 0.502 nan 8.360 nan 0.000 0.452 243 A N 1.378 124.164 122.820 -0.058 0.000 1.930 243 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 243 A C 2.396 179.929 177.584 -0.086 0.000 1.175 243 A CA 1.840 53.846 52.037 -0.052 0.000 0.627 243 A CB -0.480 18.523 19.000 0.005 0.000 0.815 243 A HN 0.254 nan 8.150 nan 0.000 0.443 244 A N -0.499 122.263 122.820 -0.097 0.000 1.877 244 A HA -0.015 4.304 4.320 -0.000 0.000 0.216 244 A C 2.219 179.706 177.584 -0.161 0.000 1.186 244 A CA 1.789 53.765 52.037 -0.102 0.000 0.620 244 A CB -1.020 17.936 19.000 -0.073 0.000 0.822 244 A HN 0.382 nan 8.150 nan 0.000 0.443 245 V N 0.408 120.137 119.914 -0.309 0.000 2.343 245 V HA -0.280 3.839 4.120 -0.000 0.000 0.247 245 V C 2.565 178.417 176.094 -0.403 0.000 1.051 245 V CA 2.418 64.495 62.300 -0.372 0.000 1.036 245 V CB -0.648 30.842 31.823 -0.555 0.000 0.654 245 V HN 0.699 nan 8.190 nan 0.000 0.451 246 K N -0.289 119.932 120.400 -0.299 0.000 2.057 246 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 246 K C 2.470 178.949 176.600 -0.201 0.000 1.049 246 K CA 1.846 57.984 56.287 -0.248 0.000 0.931 246 K CB -0.262 32.141 32.500 -0.161 0.000 0.714 246 K HN 0.408 nan 8.250 nan 0.000 0.440 247 S N 0.412 116.025 115.700 -0.144 0.000 2.371 247 S HA -0.034 4.435 4.470 -0.000 0.000 0.224 247 S C 1.898 176.457 174.600 -0.068 0.000 1.029 247 S CA 0.865 59.013 58.200 -0.086 0.000 0.978 247 S CB -0.191 62.979 63.200 -0.050 0.000 0.833 247 S HN 0.339 nan 8.310 nan 0.000 0.466 248 I N 1.223 121.750 120.570 -0.072 0.000 2.286 248 I HA -0.182 3.987 4.170 -0.000 0.000 0.248 248 I C 2.546 178.645 176.117 -0.031 0.000 1.115 248 I CA 1.189 62.513 61.300 0.040 0.000 1.392 248 I CB -0.247 37.849 38.000 0.161 0.000 1.065 248 I HN 0.255 nan 8.210 nan 0.000 0.418 249 K N 0.866 121.061 120.400 -0.341 0.000 2.026 249 K HA -0.141 4.178 4.320 -0.000 0.000 0.208 249 K C 2.312 178.833 176.600 -0.132 0.000 1.048 249 K CA 1.536 57.587 56.287 -0.393 0.000 0.929 249 K CB -0.292 31.830 32.500 -0.631 0.000 0.713 249 K HN 0.303 nan 8.250 nan 0.000 0.439 250 A N 1.459 124.204 122.820 -0.125 0.000 1.940 250 A HA -0.141 4.178 4.320 -0.000 0.000 0.219 250 A C 2.326 179.892 177.584 -0.030 0.000 1.176 250 A CA 1.930 53.924 52.037 -0.071 0.000 0.631 250 A CB -0.633 18.327 19.000 -0.067 0.000 0.814 250 A HN 0.358 nan 8.150 nan 0.000 0.446 251 A N -0.102 122.716 122.820 -0.002 0.000 2.015 251 A HA 0.035 4.355 4.320 -0.000 0.000 0.219 251 A C 2.112 179.702 177.584 0.010 0.000 1.163 251 A CA 1.859 53.911 52.037 0.025 0.000 0.646 251 A CB -0.533 18.511 19.000 0.074 0.000 0.806 251 A HN 1.030 nan 8.150 nan 0.000 0.448 252 S N -0.402 115.309 115.700 0.018 0.000 2.575 252 S HA 0.090 4.560 4.470 -0.000 0.000 0.237 252 S C 1.311 175.905 174.600 -0.010 0.000 0.975 252 S CA 0.572 58.739 58.200 -0.055 0.000 0.960 252 S CB -0.391 62.743 63.200 -0.110 0.000 0.822 252 S HN 0.706 nan 8.310 nan 0.000 0.472 253 S N 1.916 117.605 115.700 -0.018 0.000 2.493 253 S HA -0.163 4.306 4.470 -0.000 0.000 0.243 253 S C 1.822 176.376 174.600 -0.076 0.000 0.991 253 S CA 1.338 59.514 58.200 -0.040 0.000 0.957 253 S CB -1.549 61.624 63.200 -0.044 0.000 0.756 253 S HN 0.775 nan 8.310 nan 0.000 0.521 254 T N -1.161 113.346 114.554 -0.078 0.000 3.098 254 T HA 0.143 4.493 4.350 -0.000 0.000 0.266 254 T C 0.309 174.940 174.700 -0.116 0.000 1.145 254 T CA 0.383 62.433 62.100 -0.083 0.000 1.092 254 T CB -0.355 68.472 68.868 -0.068 0.000 0.908 254 T HN 0.586 nan 8.240 nan 0.000 0.526 255 E N 0.315 120.406 120.200 -0.181 0.000 2.292 255 E HA 0.443 4.792 4.350 -0.000 0.000 0.272 255 E C -1.037 175.165 176.600 -0.663 0.000 0.881 255 E CA -1.047 55.141 56.400 -0.354 0.000 0.754 255 E CB 1.505 31.051 29.700 -0.257 0.000 1.201 255 E HN -0.016 nan 8.360 nan 0.000 0.425 256 K N 2.371 122.362 120.400 -0.681 0.000 2.182 256 K HA 0.534 4.854 4.320 -0.000 0.000 0.262 256 K C -0.904 175.230 176.600 -0.776 0.000 0.957 256 K CA -0.424 55.525 56.287 -0.564 0.000 0.842 256 K CB 0.916 33.284 32.500 -0.221 0.000 1.099 256 K HN 0.353 nan 8.250 nan 0.000 0.438 257 F N 2.231 122.251 119.950 0.116 0.000 2.577 257 F HA 0.408 4.935 4.527 -0.000 0.000 0.318 257 F C -1.655 174.217 175.800 0.121 0.000 1.065 257 F CA -2.177 55.803 58.000 -0.033 0.000 0.929 257 F CB 1.138 39.917 39.000 -0.369 0.000 1.237 257 F HN 0.336 nan 8.300 nan 0.000 0.468 258 P HA 0.036 nan 4.420 nan 0.000 0.269 258 P C -0.054 177.441 177.300 0.325 0.000 1.215 258 P CA -0.042 63.187 63.100 0.216 0.000 0.780 258 P CB 1.045 32.824 31.700 0.132 0.000 0.898 259 D N 2.023 122.603 120.400 0.299 0.000 2.149 259 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 259 D C 2.129 178.605 176.300 0.294 0.000 0.990 259 D CA 1.904 56.109 54.000 0.343 0.000 0.839 259 D CB -0.684 40.254 40.800 0.229 0.000 0.948 259 D HN 0.635 nan 8.370 nan 0.000 0.460 260 G N 0.203 109.130 108.800 0.211 0.000 2.450 260 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 260 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 260 G C 1.430 176.425 174.900 0.159 0.000 1.130 260 G CA 0.364 45.563 45.100 0.166 0.000 0.760 260 G HN 0.254 nan 8.290 nan 0.000 0.557 261 F N 0.495 120.433 119.950 -0.021 0.000 2.051 261 F HA -0.012 4.515 4.527 -0.000 0.000 0.296 261 F C 2.293 177.982 175.800 -0.185 0.000 1.122 261 F CA 1.249 59.134 58.000 -0.191 0.000 1.201 261 F CB -0.484 38.252 39.000 -0.439 0.000 0.978 261 F HN 0.212 nan 8.300 nan 0.000 0.472 262 W N 0.689 121.960 121.300 -0.050 0.000 2.468 262 W HA -0.076 4.584 4.660 -0.000 0.000 0.262 262 W C 1.904 178.517 176.519 0.156 0.000 1.241 262 W CA 0.556 57.782 57.345 -0.198 0.000 1.232 262 W CB -0.552 28.876 29.460 -0.053 0.000 1.124 262 W HN 0.046 nan 8.180 nan 0.000 0.597 263 L N 0.199 121.603 121.223 0.301 0.000 2.554 263 L HA 0.229 4.569 4.340 -0.000 0.000 0.226 263 L C 1.937 178.922 176.870 0.192 0.000 1.137 263 L CA 0.719 55.727 54.840 0.280 0.000 0.863 263 L CB -0.932 41.246 42.059 0.198 0.000 0.985 263 L HN 0.247 nan 8.230 nan 0.000 0.451 264 G N 0.305 109.188 108.800 0.138 0.000 2.143 264 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.248 264 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.248 264 G C 0.700 175.628 174.900 0.047 0.000 0.991 264 G CA 0.666 45.809 45.100 0.072 0.000 0.689 264 G HN 0.493 nan 8.290 nan 0.000 0.522 265 E N -0.456 119.782 120.200 0.062 0.000 2.162 265 E HA 0.079 4.429 4.350 -0.000 0.000 0.193 265 E C 1.401 178.041 176.600 0.067 0.000 0.953 265 E CA 0.907 57.345 56.400 0.062 0.000 0.849 265 E CB 0.076 29.818 29.700 0.071 0.000 0.810 265 E HN 0.843 nan 8.360 nan 0.000 0.470 266 Q N 1.348 121.201 119.800 0.089 0.000 2.306 266 Q HA 0.515 4.855 4.340 -0.000 0.000 0.265 266 Q C -0.234 175.855 176.000 0.149 0.000 1.022 266 Q CA -0.743 55.118 55.803 0.097 0.000 0.853 266 Q CB 1.609 30.400 28.738 0.089 0.000 1.327 266 Q HN 0.016 nan 8.270 nan 0.000 0.449 267 L N -0.543 120.740 121.223 0.100 0.000 2.468 267 L HA 0.745 5.085 4.340 -0.000 0.000 0.254 267 L C -0.348 176.529 176.870 0.011 0.000 1.171 267 L CA -1.257 53.648 54.840 0.108 0.000 0.809 267 L CB 0.462 42.545 42.059 0.039 0.000 1.155 267 L HN 0.389 nan 8.230 nan 0.000 0.473 268 V N -0.341 119.509 119.914 -0.106 0.000 2.656 268 V HA 0.466 4.586 4.120 -0.000 0.000 0.307 268 V C -0.448 175.374 176.094 -0.452 0.000 1.051 268 V CA -0.336 61.689 62.300 -0.459 0.000 0.893 268 V CB 1.883 33.090 31.823 -1.027 0.000 0.999 268 V HN 0.982 nan 8.190 nan 0.000 0.426 269 c N 3.834 122.117 118.600 -0.528 0.000 2.707 269 c HA 0.741 5.311 4.570 -0.000 0.000 0.313 269 c C -0.842 172.976 174.090 -0.452 0.000 1.209 269 c CA -0.953 55.179 56.329 -0.328 0.000 1.635 269 c CB 1.716 44.132 42.510 -0.156 0.000 2.206 269 c HN 0.864 nan 8.230 nan 0.000 0.485 270 W N 0.522 121.844 121.300 0.037 0.000 3.031 270 W HA 0.380 5.040 4.660 -0.000 0.000 0.337 270 W C -0.498 176.032 176.519 0.018 0.000 1.187 270 W CA -0.528 56.831 57.345 0.024 0.000 1.166 270 W CB 1.016 30.482 29.460 0.011 0.000 1.437 270 W HN 0.646 nan 8.180 nan 0.000 0.551 271 Q N 1.146 121.093 119.800 0.246 0.000 2.349 271 Q HA 0.206 4.545 4.340 -0.000 0.000 0.287 271 Q C 0.460 176.545 176.000 0.141 0.000 1.044 271 Q CA 0.240 56.128 55.803 0.142 0.000 0.918 271 Q CB 0.723 29.525 28.738 0.107 0.000 1.242 271 Q HN 0.422 nan 8.270 nan 0.000 0.405 272 A N 2.059 124.939 122.820 0.098 0.000 2.583 272 A HA 0.207 4.526 4.320 -0.000 0.000 0.249 272 A C 1.339 178.975 177.584 0.086 0.000 1.035 272 A CA 0.936 53.025 52.037 0.088 0.000 0.777 272 A CB -0.779 18.251 19.000 0.051 0.000 0.942 272 A HN 1.068 nan 8.150 nan 0.000 0.516 273 G N 1.761 110.626 108.800 0.107 0.000 2.234 273 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.260 273 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.260 273 G C 1.047 175.987 174.900 0.067 0.000 0.987 273 G CA 1.259 46.418 45.100 0.098 0.000 0.625 273 G HN 2.170 nan 8.290 nan 0.000 0.532 274 T N -0.710 113.871 114.554 0.045 0.000 3.144 274 T HA 0.362 4.712 4.350 -0.000 0.000 0.249 274 T C 1.012 175.552 174.700 -0.267 0.000 1.089 274 T CA 1.044 63.123 62.100 -0.035 0.000 0.989 274 T CB -0.060 68.825 68.868 0.028 0.000 0.992 274 T HN 0.470 nan 8.240 nan 0.000 0.540 275 T N 5.871 120.196 114.554 -0.382 0.000 2.800 275 T HA 0.115 4.465 4.350 -0.000 0.000 0.283 275 T C -2.159 171.861 174.700 -1.134 0.000 0.999 275 T CA -0.444 61.004 62.100 -1.087 0.000 1.176 275 T CB 0.511 68.606 68.868 -1.289 0.000 0.973 275 T HN 0.296 nan 8.240 nan 0.000 0.519 276 P HA 0.151 nan 4.420 nan 0.000 0.219 276 P C 0.228 177.320 177.300 -0.347 0.000 1.832 276 P CA -0.483 62.266 63.100 -0.584 0.000 1.014 276 P CB -0.214 31.223 31.700 -0.439 0.000 1.939 277 W N 2.453 123.671 121.300 -0.137 0.000 2.305 277 W HA -0.300 4.360 4.660 -0.000 0.000 0.308 277 W C 2.192 178.763 176.519 0.087 0.000 1.226 277 W CA 1.682 59.017 57.345 -0.016 0.000 1.253 277 W CB -1.517 27.918 29.460 -0.040 0.000 1.146 277 W HN 0.306 nan 8.180 nan 0.000 0.507 278 N N 1.710 120.546 118.700 0.227 0.000 2.348 278 N HA -0.227 4.513 4.740 -0.000 0.000 0.185 278 N C 1.438 176.993 175.510 0.075 0.000 1.019 278 N CA 2.184 55.305 53.050 0.119 0.000 0.880 278 N CB -1.073 37.405 38.487 -0.014 0.000 0.965 278 N HN 0.445 nan 8.380 nan 0.000 0.437 279 I N -4.064 116.514 120.570 0.014 0.000 2.928 279 I HA 0.183 4.352 4.170 -0.000 0.000 0.266 279 I C -0.347 175.707 176.117 -0.106 0.000 1.234 279 I CA -0.037 61.204 61.300 -0.098 0.000 1.483 279 I CB -0.296 37.571 38.000 -0.222 0.000 1.097 279 I HN -0.152 nan 8.210 nan 0.000 0.455 280 F N 3.876 123.924 119.950 0.165 0.000 2.384 280 F HA 0.499 5.026 4.527 -0.000 0.000 0.338 280 F C -1.919 174.044 175.800 0.272 0.000 1.103 280 F CA -2.609 55.555 58.000 0.273 0.000 1.157 280 F CB 0.351 39.530 39.000 0.298 0.000 1.167 280 F HN -0.110 nan 8.300 nan 0.000 0.529 281 P HA 0.223 nan 4.420 nan 0.000 0.279 281 P C -0.771 176.773 177.300 0.406 0.000 1.252 281 P CA -0.302 63.002 63.100 0.341 0.000 0.811 281 P CB 1.667 33.517 31.700 0.249 0.000 1.035 282 V N -0.211 119.867 119.914 0.273 0.000 3.083 282 V HA 0.496 4.615 4.120 -0.000 0.000 0.306 282 V C 0.152 176.370 176.094 0.207 0.000 1.077 282 V CA -0.539 61.919 62.300 0.263 0.000 1.073 282 V CB 0.283 32.204 31.823 0.163 0.000 1.081 282 V HN 0.318 nan 8.190 nan 0.000 0.474 283 I N 1.958 122.638 120.570 0.182 0.000 2.466 283 I HA 0.488 4.658 4.170 -0.000 0.000 0.289 283 I C -0.244 175.886 176.117 0.021 0.000 1.026 283 I CA -0.190 61.153 61.300 0.072 0.000 1.078 283 I CB 2.120 40.133 38.000 0.022 0.000 1.249 283 I HN 0.701 nan 8.210 nan 0.000 0.429 284 S N 6.858 122.534 115.700 -0.039 0.000 2.473 284 S HA 0.646 5.115 4.470 -0.000 0.000 0.307 284 S C -0.518 173.975 174.600 -0.179 0.000 1.094 284 S CA -0.636 57.480 58.200 -0.139 0.000 1.070 284 S CB 1.481 64.572 63.200 -0.183 0.000 1.019 284 S HN 0.350 nan 8.310 nan 0.000 0.480 285 L N 3.554 124.601 121.223 -0.292 0.000 2.305 285 L HA 0.492 4.831 4.340 -0.000 0.000 0.284 285 L C -1.313 175.290 176.870 -0.446 0.000 1.013 285 L CA -0.770 53.884 54.840 -0.309 0.000 0.819 285 L CB 0.757 42.623 42.059 -0.322 0.000 1.227 285 L HN 0.621 nan 8.230 nan 0.000 0.417 286 Y N 3.879 123.909 120.300 -0.451 0.000 2.313 286 Y HA 0.502 5.052 4.550 -0.000 0.000 0.332 286 Y C 0.113 175.708 175.900 -0.509 0.000 1.071 286 Y CA -0.229 57.572 58.100 -0.498 0.000 1.169 286 Y CB 1.218 39.431 38.460 -0.411 0.000 1.192 286 Y HN 0.368 nan 8.280 nan 0.000 0.487 287 L N 4.026 124.866 121.223 -0.640 0.000 2.342 287 L HA 0.488 4.828 4.340 -0.000 0.000 0.271 287 L C -0.037 176.626 176.870 -0.346 0.000 1.008 287 L CA -1.078 53.418 54.840 -0.574 0.000 0.818 287 L CB 1.845 43.369 42.059 -0.891 0.000 1.296 287 L HN 0.602 nan 8.230 nan 0.000 0.427 288 M N 1.303 120.853 119.600 -0.084 0.000 2.251 288 M HA 0.207 4.687 4.480 -0.000 0.000 0.343 288 M C 0.444 176.875 176.300 0.218 0.000 1.245 288 M CA 0.357 55.700 55.300 0.070 0.000 1.061 288 M CB 0.700 33.356 32.600 0.093 0.000 1.723 288 M HN 0.731 nan 8.290 nan 0.000 0.449 289 G N 3.021 112.000 108.800 0.299 0.000 2.531 289 G HA2 0.253 4.213 3.960 -0.000 0.000 0.313 289 G HA3 0.253 4.213 3.960 -0.000 0.000 0.313 289 G C 0.029 175.102 174.900 0.288 0.000 1.238 289 G CA -0.412 44.953 45.100 0.441 0.000 0.994 289 G HN 0.891 nan 8.290 nan 0.000 0.493 290 E N -1.425 118.926 120.200 0.253 0.000 2.230 290 E HA 0.014 4.364 4.350 -0.000 0.000 0.192 290 E C 0.564 177.233 176.600 0.116 0.000 0.987 290 E CA 0.134 56.625 56.400 0.152 0.000 0.841 290 E CB 0.334 30.092 29.700 0.096 0.000 0.783 290 E HN 0.098 nan 8.360 nan 0.000 0.481 291 V N 2.597 122.592 119.914 0.135 0.000 2.583 291 V HA 0.015 4.135 4.120 -0.000 0.000 0.287 291 V C 0.444 176.603 176.094 0.109 0.000 1.051 291 V CA -0.156 62.207 62.300 0.105 0.000 1.010 291 V CB 1.353 33.242 31.823 0.110 0.000 0.988 291 V HN 0.118 nan 8.190 nan 0.000 0.478 292 T N 5.774 120.375 114.554 0.080 0.000 2.933 292 T HA -0.011 4.338 4.350 -0.000 0.000 0.306 292 T C 1.032 175.781 174.700 0.080 0.000 1.045 292 T CA 0.330 62.473 62.100 0.072 0.000 1.143 292 T CB -0.248 68.651 68.868 0.052 0.000 1.003 292 T HN 0.864 nan 8.240 nan 0.000 0.540 293 N N 0.655 119.403 118.700 0.080 0.000 2.713 293 N HA -0.176 4.564 4.740 -0.000 0.000 0.251 293 N C -0.065 175.510 175.510 0.108 0.000 1.117 293 N CA 0.979 54.078 53.050 0.081 0.000 0.770 293 N CB -0.649 37.877 38.487 0.064 0.000 1.137 293 N HN 0.792 nan 8.380 nan 0.000 0.566 294 Q N 0.355 120.238 119.800 0.138 0.000 2.342 294 Q HA 0.587 4.927 4.340 -0.000 0.000 0.267 294 Q C -0.439 175.701 176.000 0.233 0.000 1.038 294 Q CA -0.498 55.416 55.803 0.185 0.000 0.832 294 Q CB 1.567 30.425 28.738 0.201 0.000 1.323 294 Q HN 0.320 nan 8.270 nan 0.000 0.448 295 S N 1.866 117.732 115.700 0.277 0.000 2.651 295 S HA 0.846 5.316 4.470 -0.000 0.000 0.279 295 S C -1.015 173.811 174.600 0.376 0.000 1.148 295 S CA -0.750 57.622 58.200 0.285 0.000 0.837 295 S CB 1.202 64.519 63.200 0.194 0.000 1.138 295 S HN 0.589 nan 8.310 nan 0.000 0.478 296 F N -1.119 118.868 119.950 0.061 0.000 2.692 296 F HA 0.904 5.430 4.527 -0.000 0.000 0.320 296 F C -0.706 174.915 175.800 -0.299 0.000 1.123 296 F CA -1.311 56.569 58.000 -0.201 0.000 0.961 296 F CB 1.358 39.935 39.000 -0.704 0.000 1.383 296 F HN 0.978 nan 8.300 nan 0.000 0.483 297 R N 1.746 122.000 120.500 -0.409 0.000 2.795 297 R HA 0.830 5.170 4.340 -0.000 0.000 0.275 297 R C -1.634 174.354 176.300 -0.520 0.000 0.981 297 R CA -0.973 54.640 56.100 -0.811 0.000 0.917 297 R CB 2.546 31.986 30.300 -1.432 0.000 1.202 297 R HN 1.015 nan 8.270 nan 0.000 0.469 298 I N -0.808 119.402 120.570 -0.601 0.000 2.474 298 I HA 0.552 4.721 4.170 -0.000 0.000 0.294 298 I C -1.143 174.824 176.117 -0.250 0.000 1.005 298 I CA -0.698 60.296 61.300 -0.510 0.000 1.113 298 I CB 2.606 39.982 38.000 -1.041 0.000 1.289 298 I HN 0.534 nan 8.210 nan 0.000 0.436 299 T N 7.530 122.098 114.554 0.024 0.000 2.809 299 T HA 0.592 4.941 4.350 -0.000 0.000 0.284 299 T C -0.066 174.766 174.700 0.221 0.000 0.992 299 T CA -0.438 61.710 62.100 0.079 0.000 0.957 299 T CB 1.272 70.150 68.868 0.015 0.000 0.942 299 T HN 0.639 nan 8.240 nan 0.000 0.439 300 I N 0.889 121.581 120.570 0.202 0.000 2.822 300 I HA 0.734 4.904 4.170 -0.000 0.000 0.312 300 I C -0.826 175.397 176.117 0.176 0.000 1.011 300 I CA -1.358 60.042 61.300 0.166 0.000 1.105 300 I CB 1.171 39.297 38.000 0.210 0.000 1.291 300 I HN 0.397 nan 8.210 nan 0.000 0.474 301 L N 1.901 123.186 121.223 0.103 0.000 2.331 301 L HA 0.520 4.860 4.340 -0.000 0.000 0.268 301 L C -1.619 175.159 176.870 -0.153 0.000 1.015 301 L CA -1.743 53.132 54.840 0.059 0.000 0.807 301 L CB 1.453 43.500 42.059 -0.019 0.000 1.293 301 L HN 0.422 nan 8.230 nan 0.000 0.451 302 P HA -0.129 nan 4.420 nan 0.000 0.225 302 P C 0.835 177.826 177.300 -0.515 0.000 1.148 302 P CA 1.006 63.475 63.100 -1.052 0.000 0.779 302 P CB 0.333 31.774 31.700 -0.433 0.000 0.780 303 Q N -0.532 119.000 119.800 -0.447 0.000 2.364 303 Q HA -0.139 4.201 4.340 -0.000 0.000 0.207 303 Q C 2.129 177.990 176.000 -0.233 0.000 0.970 303 Q CA 1.372 56.838 55.803 -0.562 0.000 0.888 303 Q CB -0.351 27.930 28.738 -0.762 0.000 0.951 303 Q HN 0.285 nan 8.270 nan 0.000 0.469 304 Q N -1.765 117.933 119.800 -0.170 0.000 2.200 304 Q HA -0.018 4.322 4.340 -0.000 0.000 0.197 304 Q C 1.242 177.266 176.000 0.039 0.000 0.953 304 Q CA 0.888 56.670 55.803 -0.035 0.000 0.851 304 Q CB 0.029 28.778 28.738 0.018 0.000 0.938 304 Q HN 0.663 nan 8.270 nan 0.000 0.488 305 Y N -1.314 119.011 120.300 0.043 0.000 2.546 305 Y HA 0.358 4.907 4.550 -0.000 0.000 0.287 305 Y C -0.122 175.800 175.900 0.037 0.000 1.158 305 Y CA -0.148 57.961 58.100 0.016 0.000 1.307 305 Y CB -0.067 38.396 38.460 0.005 0.000 1.036 305 Y HN -0.160 nan 8.280 nan 0.000 0.532 306 L N 3.260 124.478 121.223 -0.008 0.000 2.277 306 L HA 0.410 4.749 4.340 -0.000 0.000 0.284 306 L C 0.008 177.039 176.870 0.269 0.000 1.028 306 L CA -0.546 54.359 54.840 0.109 0.000 0.835 306 L CB 1.128 43.095 42.059 -0.153 0.000 1.215 306 L HN 0.125 nan 8.230 nan 0.000 0.425 307 R N 5.285 125.948 120.500 0.271 0.000 2.234 307 R HA 0.323 4.663 4.340 -0.000 0.000 0.324 307 R C -2.406 174.058 176.300 0.273 0.000 1.054 307 R CA -1.460 54.782 56.100 0.235 0.000 0.912 307 R CB 0.959 31.335 30.300 0.128 0.000 1.030 307 R HN 0.220 nan 8.270 nan 0.000 0.455 308 P HA -0.027 nan 4.420 nan 0.000 0.267 308 P C -1.188 176.091 177.300 -0.036 0.000 1.205 308 P CA -0.146 62.957 63.100 0.005 0.000 0.765 308 P CB 0.964 32.695 31.700 0.051 0.000 0.828 309 V N -0.128 119.721 119.914 -0.108 0.000 2.971 309 V HA 0.571 4.691 4.120 -0.000 0.000 0.309 309 V C -0.322 175.726 176.094 -0.076 0.000 1.130 309 V CA -1.445 60.821 62.300 -0.057 0.000 0.964 309 V CB 1.994 33.803 31.823 -0.022 0.000 1.029 309 V HN 0.238 nan 8.190 nan 0.000 0.427 310 E N 2.013 122.188 120.200 -0.041 0.000 2.414 310 E HA 0.183 4.533 4.350 -0.000 0.000 0.263 310 E C -0.471 176.107 176.600 -0.037 0.000 1.000 310 E CA 0.367 56.747 56.400 -0.033 0.000 0.914 310 E CB 0.905 30.596 29.700 -0.015 0.000 0.948 310 E HN 0.932 nan 8.360 nan 0.000 0.444 311 D N 3.754 124.131 120.400 -0.038 0.000 2.336 311 D HA 0.011 4.651 4.640 -0.000 0.000 0.249 311 D C 1.186 177.473 176.300 -0.022 0.000 1.213 311 D CA 0.044 54.024 54.000 -0.034 0.000 0.870 311 D CB 0.745 41.524 40.800 -0.034 0.000 1.076 311 D HN 0.296 nan 8.370 nan 0.000 0.483 312 V N 3.032 122.935 119.914 -0.019 0.000 2.231 312 V HA -0.165 3.954 4.120 -0.000 0.000 0.250 312 V C 1.253 177.340 176.094 -0.011 0.000 1.058 312 V CA 1.304 63.596 62.300 -0.013 0.000 1.022 312 V CB -1.628 30.189 31.823 -0.010 0.000 0.640 312 V HN 0.638 nan 8.190 nan 0.000 0.445 313 A N 0.897 123.709 122.820 -0.013 0.000 2.524 313 A HA 0.353 4.673 4.320 -0.000 0.000 0.250 313 A C 1.484 179.063 177.584 -0.010 0.000 1.078 313 A CA 0.690 52.720 52.037 -0.011 0.000 0.761 313 A CB -0.370 18.622 19.000 -0.012 0.000 1.012 313 A HN 0.675 nan 8.150 nan 0.000 0.500 314 T N 2.714 117.264 114.554 -0.007 0.000 2.176 314 T HA -0.300 4.050 4.350 -0.000 0.000 0.197 314 T C 1.185 175.882 174.700 -0.005 0.000 1.683 314 T CA 2.250 64.347 62.100 -0.006 0.000 1.094 314 T CB -1.624 67.242 68.868 -0.004 0.000 0.846 314 T HN 2.063 nan 8.240 nan 0.000 0.404 315 S N 1.988 117.686 115.700 -0.003 0.000 4.454 315 S HA -0.211 4.258 4.470 -0.000 0.000 0.520 315 S C 0.634 175.235 174.600 0.001 0.000 1.035 315 S CA 0.191 58.391 58.200 0.000 0.000 0.951 315 S CB -0.051 63.149 63.200 0.001 0.000 1.536 315 S HN 0.528 nan 8.310 nan 0.000 0.392 316 Q N 0.552 120.355 119.800 0.005 0.000 2.631 316 Q HA -0.036 4.303 4.340 -0.000 0.000 0.220 316 Q C -0.142 175.868 176.000 0.016 0.000 0.978 316 Q CA 0.617 56.424 55.803 0.006 0.000 0.961 316 Q CB -0.689 28.052 28.738 0.006 0.000 0.988 316 Q HN 0.779 nan 8.270 nan 0.000 0.567 317 D N 2.019 122.430 120.400 0.018 0.000 2.548 317 D HA -0.050 4.589 4.640 -0.000 0.000 0.231 317 D C -0.440 175.874 176.300 0.023 0.000 1.142 317 D CA 0.750 54.769 54.000 0.032 0.000 0.866 317 D CB 0.426 41.234 40.800 0.014 0.000 1.190 317 D HN -0.078 nan 8.370 nan 0.000 0.469 318 D N 1.695 122.140 120.400 0.075 0.000 2.347 318 D HA 0.213 4.853 4.640 -0.000 0.000 0.235 318 D C -0.462 175.809 176.300 -0.047 0.000 1.149 318 D CA -0.255 53.763 54.000 0.029 0.000 0.850 318 D CB 0.393 41.319 40.800 0.210 0.000 1.061 318 D HN 0.201 nan 8.370 nan 0.000 0.487 319 c N 2.856 121.266 118.600 -0.317 0.000 2.454 319 c HA 0.697 5.267 4.570 -0.000 0.000 0.336 319 c C -0.568 173.164 174.090 -0.596 0.000 1.189 319 c CA -0.805 55.357 56.329 -0.279 0.000 1.877 319 c CB 0.133 42.560 42.510 -0.140 0.000 2.348 319 c HN 0.524 nan 8.230 nan 0.000 0.508 320 Y N -0.388 119.957 120.300 0.076 0.000 2.597 320 Y HA 0.560 5.110 4.550 -0.000 0.000 0.340 320 Y C -0.062 175.930 175.900 0.153 0.000 1.097 320 Y CA -1.006 57.170 58.100 0.126 0.000 1.037 320 Y CB 1.204 39.767 38.460 0.172 0.000 1.305 320 Y HN 0.459 nan 8.280 nan 0.000 0.463 321 K N 0.971 121.551 120.400 0.299 0.000 2.203 321 K HA 0.415 4.735 4.320 -0.000 0.000 0.251 321 K C -1.490 175.220 176.600 0.183 0.000 0.944 321 K CA -0.979 55.432 56.287 0.207 0.000 0.829 321 K CB 1.821 34.385 32.500 0.106 0.000 1.125 321 K HN 0.540 nan 8.250 nan 0.000 0.430 322 F N 2.033 121.807 119.950 -0.293 0.000 2.466 322 F HA 0.175 4.701 4.527 -0.000 0.000 0.363 322 F C 0.361 176.104 175.800 -0.094 0.000 1.109 322 F CA -0.708 57.063 58.000 -0.382 0.000 1.161 322 F CB 0.395 38.801 39.000 -0.991 0.000 1.117 322 F HN 0.587 nan 8.300 nan 0.000 0.539 323 A N 8.109 130.798 122.820 -0.217 0.000 2.797 323 A HA 0.406 4.726 4.320 -0.000 0.000 0.287 323 A C 0.049 177.440 177.584 -0.322 0.000 1.369 323 A CA -0.216 51.707 52.037 -0.189 0.000 0.968 323 A CB -1.159 17.828 19.000 -0.022 0.000 1.069 323 A HN 0.619 nan 8.150 nan 0.000 0.571 324 I N 1.116 121.266 120.570 -0.699 0.000 2.436 324 I HA 0.404 4.574 4.170 -0.000 0.000 0.289 324 I C -0.186 175.840 176.117 -0.153 0.000 1.010 324 I CA -0.349 60.662 61.300 -0.481 0.000 1.098 324 I CB 2.302 39.855 38.000 -0.745 0.000 1.266 324 I HN 0.330 nan 8.210 nan 0.000 0.434 325 S N 4.287 119.945 115.700 -0.069 0.000 2.607 325 S HA 0.505 4.975 4.470 -0.000 0.000 0.273 325 S C -0.985 173.247 174.600 -0.614 0.000 1.148 325 S CA -1.070 56.940 58.200 -0.317 0.000 0.833 325 S CB 1.837 64.910 63.200 -0.212 0.000 1.130 325 S HN 0.627 nan 8.310 nan 0.000 0.470 326 Q N 0.373 119.523 119.800 -1.084 0.000 2.340 326 Q HA 0.677 5.017 4.340 -0.000 0.000 0.249 326 Q C -0.386 175.442 176.000 -0.287 0.000 0.957 326 Q CA -0.556 54.828 55.803 -0.697 0.000 0.882 326 Q CB 1.043 29.373 28.738 -0.681 0.000 1.235 326 Q HN 0.632 nan 8.270 nan 0.000 0.439 327 S N 0.400 116.010 115.700 -0.149 0.000 2.548 327 S HA 0.363 4.833 4.470 -0.000 0.000 0.286 327 S C -0.043 174.515 174.600 -0.069 0.000 1.098 327 S CA -0.242 57.898 58.200 -0.099 0.000 0.930 327 S CB 1.727 64.876 63.200 -0.084 0.000 1.070 327 S HN 0.747 nan 8.310 nan 0.000 0.480 328 S N 1.230 116.887 115.700 -0.072 0.000 2.539 328 S HA 0.133 4.603 4.470 -0.000 0.000 0.221 328 S C 0.785 175.312 174.600 -0.122 0.000 0.987 328 S CA 0.415 58.577 58.200 -0.064 0.000 0.929 328 S CB -0.245 62.933 63.200 -0.037 0.000 0.832 328 S HN 0.958 nan 8.310 nan 0.000 0.492 329 T N -1.646 112.825 114.554 -0.139 0.000 3.331 329 T HA 0.622 4.972 4.350 -0.000 0.000 0.282 329 T C 0.808 175.376 174.700 -0.220 0.000 1.010 329 T CA 0.056 62.044 62.100 -0.186 0.000 0.928 329 T CB -0.105 68.668 68.868 -0.158 0.000 1.154 329 T HN 1.245 nan 8.240 nan 0.000 0.516 330 G N 1.054 109.729 108.800 -0.209 0.000 2.710 330 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.668 330 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.668 330 G C -0.421 174.425 174.900 -0.091 0.000 1.320 330 G CA -0.645 44.355 45.100 -0.166 0.000 0.860 330 G HN 0.518 nan 8.290 nan 0.000 0.538 331 T N 0.003 114.530 114.554 -0.045 0.000 2.907 331 T HA 0.496 4.846 4.350 -0.000 0.000 0.298 331 T C 0.337 175.013 174.700 -0.040 0.000 1.017 331 T CA 0.240 62.331 62.100 -0.016 0.000 1.118 331 T CB 1.264 70.143 68.868 0.018 0.000 0.948 331 T HN 1.166 nan 8.240 nan 0.000 0.531 332 V N 4.950 124.848 119.914 -0.027 0.000 2.443 332 V HA 0.317 4.436 4.120 -0.000 0.000 0.293 332 V C -0.071 176.034 176.094 0.019 0.000 1.021 332 V CA -0.720 61.569 62.300 -0.019 0.000 0.848 332 V CB 1.477 33.279 31.823 -0.035 0.000 0.998 332 V HN 0.895 nan 8.190 nan 0.000 0.424 333 M N 4.564 124.194 119.600 0.051 0.000 2.497 333 M HA 0.372 4.852 4.480 -0.000 0.000 0.336 333 M C 1.008 177.372 176.300 0.107 0.000 1.378 333 M CA 0.165 55.515 55.300 0.084 0.000 1.375 333 M CB 0.457 33.126 32.600 0.115 0.000 1.337 333 M HN 0.800 nan 8.290 nan 0.000 0.461 334 G N 1.055 109.905 108.800 0.084 0.000 2.508 334 G HA2 0.454 4.414 3.960 -0.000 0.000 0.278 334 G HA3 0.454 4.414 3.960 -0.000 0.000 0.278 334 G C 0.901 175.868 174.900 0.110 0.000 1.389 334 G CA -0.022 45.130 45.100 0.087 0.000 1.050 334 G HN 0.725 nan 8.290 nan 0.000 0.522 335 A N -1.427 121.459 122.820 0.110 0.000 1.978 335 A HA -0.032 4.288 4.320 -0.000 0.000 0.220 335 A C 2.567 180.221 177.584 0.117 0.000 1.170 335 A CA 1.954 54.068 52.037 0.130 0.000 0.636 335 A CB -0.750 18.370 19.000 0.201 0.000 0.810 335 A HN 0.520 nan 8.150 nan 0.000 0.448 336 V N 0.478 120.455 119.914 0.105 0.000 2.250 336 V HA -0.319 3.801 4.120 -0.000 0.000 0.250 336 V C 2.441 178.603 176.094 0.113 0.000 1.060 336 V CA 2.261 64.620 62.300 0.098 0.000 1.030 336 V CB -0.547 31.327 31.823 0.085 0.000 0.643 336 V HN 0.570 nan 8.190 nan 0.000 0.445 337 I N -1.016 119.643 120.570 0.149 0.000 2.193 337 I HA -0.186 3.984 4.170 -0.000 0.000 0.240 337 I C 2.427 178.721 176.117 0.295 0.000 1.084 337 I CA 1.678 63.122 61.300 0.240 0.000 1.365 337 I CB -1.231 36.915 38.000 0.243 0.000 1.064 337 I HN 0.295 nan 8.210 nan 0.000 0.410 338 M N 0.234 119.973 119.600 0.231 0.000 2.202 338 M HA -0.218 4.262 4.480 -0.000 0.000 0.262 338 M C 1.896 178.244 176.300 0.080 0.000 1.063 338 M CA 1.561 56.981 55.300 0.201 0.000 1.097 338 M CB -0.579 32.094 32.600 0.123 0.000 1.382 338 M HN 0.244 nan 8.290 nan 0.000 0.413 339 E N -0.118 120.092 120.200 0.017 0.000 2.409 339 E HA -0.102 4.248 4.350 -0.000 0.000 0.198 339 E C 1.951 178.477 176.600 -0.123 0.000 1.024 339 E CA 0.731 57.100 56.400 -0.052 0.000 0.861 339 E CB -0.143 29.549 29.700 -0.014 0.000 0.788 339 E HN 0.628 nan 8.360 nan 0.000 0.521 340 G N -0.179 108.446 108.800 -0.291 0.000 2.744 340 G HA2 0.067 4.027 3.960 -0.000 0.000 0.211 340 G HA3 0.067 4.027 3.960 -0.000 0.000 0.211 340 G C 0.188 174.396 174.900 -1.154 0.000 1.146 340 G CA -0.027 44.594 45.100 -0.798 0.000 0.787 340 G HN 0.002 nan 8.290 nan 0.000 0.534 341 F N -2.321 117.662 119.950 0.056 0.000 2.629 341 F HA 0.497 5.023 4.527 -0.000 0.000 0.316 341 F C -0.964 174.889 175.800 0.088 0.000 1.081 341 F CA -1.833 56.212 58.000 0.075 0.000 0.954 341 F CB 1.336 40.425 39.000 0.148 0.000 1.337 341 F HN -0.119 nan 8.300 nan 0.000 0.474 342 Y N 2.175 122.538 120.300 0.104 0.000 2.383 342 Y HA 0.633 5.183 4.550 -0.000 0.000 0.344 342 Y C -0.951 174.828 175.900 -0.201 0.000 0.986 342 Y CA -1.499 56.580 58.100 -0.034 0.000 1.175 342 Y CB 0.650 39.091 38.460 -0.031 0.000 1.152 342 Y HN 0.307 nan 8.280 nan 0.000 0.511 343 V N 7.453 127.108 119.914 -0.432 0.000 2.384 343 V HA 0.367 4.487 4.120 -0.000 0.000 0.287 343 V C -0.608 174.926 176.094 -0.934 0.000 1.020 343 V CA -1.004 60.803 62.300 -0.822 0.000 0.850 343 V CB 1.426 32.800 31.823 -0.749 0.000 0.987 343 V HN 0.537 nan 8.190 nan 0.000 0.436 344 V N 5.655 124.931 119.914 -1.064 0.000 2.350 344 V HA 0.413 4.533 4.120 -0.000 0.000 0.276 344 V C -0.450 175.119 176.094 -0.875 0.000 1.028 344 V CA -0.288 61.524 62.300 -0.813 0.000 0.860 344 V CB 1.030 32.495 31.823 -0.597 0.000 0.990 344 V HN 0.714 nan 8.190 nan 0.000 0.453 345 F N 2.883 122.353 119.950 -0.801 0.000 2.425 345 F HA 0.293 4.820 4.527 -0.000 0.000 0.354 345 F C 0.772 176.242 175.800 -0.551 0.000 1.162 345 F CA -0.507 56.970 58.000 -0.872 0.000 1.250 345 F CB 0.499 38.442 39.000 -1.761 0.000 1.579 345 F HN 0.429 nan 8.300 nan 0.000 0.589 346 D N 2.787 123.098 120.400 -0.149 0.000 2.558 346 D HA 0.100 4.740 4.640 -0.000 0.000 0.221 346 D C 1.411 177.754 176.300 0.071 0.000 1.143 346 D CA 0.076 54.062 54.000 -0.025 0.000 1.010 346 D CB 0.272 41.074 40.800 0.004 0.000 1.068 346 D HN 0.429 nan 8.370 nan 0.000 0.511 347 R N 1.650 122.225 120.500 0.125 0.000 2.096 347 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 347 R C 2.111 178.535 176.300 0.207 0.000 1.127 347 R CA 1.445 57.705 56.100 0.266 0.000 0.968 347 R CB -0.069 30.424 30.300 0.322 0.000 0.861 347 R HN 0.367 nan 8.270 nan 0.000 0.440 348 A N 1.239 124.150 122.820 0.151 0.000 1.908 348 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 348 A C 1.779 179.402 177.584 0.065 0.000 1.181 348 A CA 1.320 53.422 52.037 0.109 0.000 0.627 348 A CB -0.221 18.831 19.000 0.086 0.000 0.818 348 A HN 0.227 nan 8.150 nan 0.000 0.445 349 R N -1.454 119.067 120.500 0.035 0.000 2.427 349 R HA 0.198 4.537 4.340 -0.000 0.000 0.262 349 R C 0.034 176.349 176.300 0.025 0.000 0.943 349 R CA 0.214 56.311 56.100 -0.004 0.000 1.081 349 R CB 0.023 30.271 30.300 -0.087 0.000 1.166 349 R HN 0.491 nan 8.270 nan 0.000 0.534 350 K N 2.012 122.462 120.400 0.083 0.000 3.278 350 K HA -0.240 4.080 4.320 -0.000 0.000 0.270 350 K C -1.026 175.647 176.600 0.121 0.000 0.955 350 K CA 0.823 57.179 56.287 0.116 0.000 0.723 350 K CB -0.643 31.899 32.500 0.071 0.000 1.382 350 K HN 0.439 nan 8.250 nan 0.000 0.461 351 R N -0.227 120.348 120.500 0.127 0.000 2.764 351 R HA 0.661 5.001 4.340 -0.000 0.000 0.270 351 R C -0.876 175.510 176.300 0.143 0.000 1.014 351 R CA -1.170 55.023 56.100 0.156 0.000 0.904 351 R CB 1.165 31.541 30.300 0.127 0.000 1.236 351 R HN 0.076 nan 8.270 nan 0.000 0.466 352 I N 0.960 121.610 120.570 0.133 0.000 2.466 352 I HA 0.439 4.609 4.170 -0.000 0.000 0.289 352 I C -0.013 175.973 176.117 -0.219 0.000 1.026 352 I CA -0.883 60.311 61.300 -0.176 0.000 1.078 352 I CB 2.349 40.177 38.000 -0.286 0.000 1.249 352 I HN 0.879 nan 8.210 nan 0.000 0.429 353 G N 5.188 113.602 108.800 -0.643 0.000 2.389 353 G HA2 0.714 4.674 3.960 -0.000 0.000 0.328 353 G HA3 0.714 4.674 3.960 -0.000 0.000 0.328 353 G C -1.310 173.038 174.900 -0.921 0.000 1.133 353 G CA -0.208 44.252 45.100 -1.067 0.000 0.891 353 G HN 0.326 nan 8.290 nan 0.000 0.485 354 F N 0.419 120.011 119.950 -0.598 0.000 2.540 354 F HA 0.727 5.254 4.527 -0.000 0.000 0.317 354 F C 0.390 176.021 175.800 -0.282 0.000 1.104 354 F CA -0.542 57.232 58.000 -0.376 0.000 0.913 354 F CB 2.736 41.567 39.000 -0.282 0.000 1.170 354 F HN 0.718 nan 8.300 nan 0.000 0.450 355 A N 1.597 124.436 122.820 0.032 0.000 2.572 355 A HA 0.739 5.059 4.320 -0.000 0.000 0.295 355 A C -1.419 176.367 177.584 0.337 0.000 1.072 355 A CA -0.844 51.255 52.037 0.103 0.000 0.691 355 A CB 1.150 20.031 19.000 -0.198 0.000 1.291 355 A HN 0.455 nan 8.150 nan 0.000 0.404 356 V N 1.856 121.958 119.914 0.314 0.000 2.540 356 V HA 0.212 4.332 4.120 -0.000 0.000 0.297 356 V C 1.243 177.441 176.094 0.172 0.000 1.024 356 V CA 0.569 62.983 62.300 0.191 0.000 1.105 356 V CB 1.006 32.868 31.823 0.064 0.000 0.938 356 V HN 0.951 nan 8.190 nan 0.000 0.482 357 S N 4.267 120.007 115.700 0.068 0.000 2.564 357 S HA 0.366 4.836 4.470 -0.000 0.000 0.278 357 S C 1.263 175.967 174.600 0.174 0.000 1.333 357 S CA -0.127 58.151 58.200 0.130 0.000 1.048 357 S CB 1.270 64.510 63.200 0.065 0.000 0.900 357 S HN 1.002 nan 8.310 nan 0.000 0.505 358 A N 2.950 125.823 122.820 0.087 0.000 2.209 358 A HA 0.042 4.362 4.320 -0.000 0.000 0.212 358 A C 1.717 179.317 177.584 0.027 0.000 1.158 358 A CA 0.925 52.989 52.037 0.045 0.000 0.742 358 A CB -1.077 17.906 19.000 -0.029 0.000 0.790 358 A HN 1.242 nan 8.150 nan 0.000 0.472 359 c N -0.902 117.717 118.600 0.032 0.000 2.994 359 c HA 0.376 4.946 4.570 -0.000 0.000 0.284 359 c C 0.728 174.813 174.090 -0.008 0.000 1.404 359 c CA -0.398 55.925 56.329 -0.011 0.000 1.775 359 c CB -1.911 40.581 42.510 -0.031 0.000 2.458 359 c HN 0.651 nan 8.230 nan 0.000 0.593 360 H N 0.544 119.586 119.070 -0.047 0.000 2.629 360 H HA 0.531 5.087 4.556 -0.000 0.000 0.357 360 H C -0.739 174.586 175.328 -0.006 0.000 1.121 360 H CA -0.086 55.916 56.048 -0.075 0.000 1.406 360 H CB 0.966 30.633 29.762 -0.158 0.000 1.456 360 H HN 0.164 nan 8.280 nan 0.000 0.579 361 V N 6.081 125.914 119.914 -0.135 0.000 2.583 361 V HA 0.190 4.310 4.120 -0.000 0.000 0.287 361 V C 0.656 176.608 176.094 -0.237 0.000 1.051 361 V CA 0.050 62.198 62.300 -0.253 0.000 1.010 361 V CB 0.498 32.194 31.823 -0.211 0.000 0.988 361 V HN 1.069 nan 8.190 nan 0.000 0.478 362 H N 2.434 121.273 119.070 -0.384 0.000 3.054 362 H HA 0.624 5.180 4.556 -0.000 0.000 0.271 362 H C -1.560 173.573 175.328 -0.325 0.000 1.551 362 H CA -0.732 55.118 56.048 -0.331 0.000 1.196 362 H CB 1.513 31.143 29.762 -0.220 0.000 1.867 362 H HN 0.636 nan 8.280 nan 0.000 0.637 363 D N -1.286 119.054 120.400 -0.099 0.000 2.758 363 D HA 0.122 4.762 4.640 -0.000 0.000 0.279 363 D C 0.611 176.907 176.300 -0.007 0.000 1.111 363 D CA -0.791 53.130 54.000 -0.130 0.000 1.109 363 D CB 1.283 42.058 40.800 -0.043 0.000 1.428 363 D HN 0.660 nan 8.370 nan 0.000 0.586 364 E N -1.298 118.772 120.200 -0.216 0.000 2.482 364 E HA -0.007 4.343 4.350 -0.000 0.000 0.196 364 E C 0.374 176.694 176.600 -0.467 0.000 1.047 364 E CA 0.447 56.625 56.400 -0.370 0.000 0.869 364 E CB -0.079 29.280 29.700 -0.568 0.000 0.836 364 E HN 0.494 nan 8.360 nan 0.000 0.520 365 F N -0.231 119.758 119.950 0.065 0.000 2.678 365 F HA 0.317 4.844 4.527 -0.000 0.000 0.291 365 F C 0.905 176.737 175.800 0.053 0.000 1.123 365 F CA -0.087 57.946 58.000 0.056 0.000 1.395 365 F CB 0.604 39.639 39.000 0.058 0.000 1.121 365 F HN -0.279 nan 8.300 nan 0.000 0.592 366 R N -0.557 120.066 120.500 0.205 0.000 2.774 366 R HA 0.583 4.923 4.340 -0.000 0.000 0.272 366 R C -0.872 175.476 176.300 0.081 0.000 1.000 366 R CA -0.639 55.541 56.100 0.134 0.000 0.906 366 R CB 2.160 32.548 30.300 0.147 0.000 1.227 366 R HN -0.012 nan 8.270 nan 0.000 0.468 367 T N -2.096 112.479 114.554 0.035 0.000 2.883 367 T HA 0.731 5.081 4.350 -0.000 0.000 0.296 367 T C -0.121 174.590 174.700 0.018 0.000 1.117 367 T CA -0.885 61.234 62.100 0.032 0.000 1.006 367 T CB 1.798 70.600 68.868 -0.111 0.000 1.191 367 T HN 0.655 nan 8.240 nan 0.000 0.508 368 A N 0.659 123.403 122.820 -0.126 0.000 2.366 368 A HA 0.790 5.109 4.320 -0.000 0.000 0.250 368 A C 0.509 178.008 177.584 -0.143 0.000 1.099 368 A CA -0.092 51.777 52.037 -0.280 0.000 0.794 368 A CB -0.551 17.975 19.000 -0.790 0.000 1.056 368 A HN 1.887 nan 8.150 nan 0.000 0.499 369 A N -0.549 122.302 122.820 0.052 0.000 2.594 369 A HA 0.636 4.956 4.320 -0.000 0.000 0.295 369 A C -1.349 176.322 177.584 0.146 0.000 1.071 369 A CA -0.382 51.706 52.037 0.085 0.000 0.685 369 A CB 1.423 20.443 19.000 0.032 0.000 1.285 369 A HN 1.419 nan 8.150 nan 0.000 0.405 370 V N 1.635 121.604 119.914 0.091 0.000 2.482 370 V HA 0.548 4.668 4.120 -0.000 0.000 0.295 370 V C -0.527 175.518 176.094 -0.081 0.000 1.026 370 V CA -0.258 62.047 62.300 0.008 0.000 0.856 370 V CB 1.247 33.138 31.823 0.114 0.000 1.001 370 V HN 0.965 nan 8.190 nan 0.000 0.424 371 E N 2.199 122.259 120.200 -0.233 0.000 2.367 371 E HA 0.880 5.230 4.350 -0.000 0.000 0.273 371 E C -0.092 176.115 176.600 -0.655 0.000 0.903 371 E CA -0.671 55.545 56.400 -0.307 0.000 0.764 371 E CB 2.907 32.562 29.700 -0.074 0.000 1.252 371 E HN 0.903 nan 8.360 nan 0.000 0.446 372 G N 1.285 109.557 108.800 -0.880 0.000 2.349 372 G HA2 0.425 4.385 3.960 -0.000 0.000 0.294 372 G HA3 0.425 4.385 3.960 -0.000 0.000 0.294 372 G C -3.009 171.528 174.900 -0.605 0.000 1.380 372 G CA -0.751 43.606 45.100 -1.239 0.000 0.811 372 G HN 0.369 nan 8.290 nan 0.000 0.519 373 P HA 0.809 nan 4.420 nan 0.000 0.287 373 P C -1.601 175.327 177.300 -0.621 0.000 1.292 373 P CA -0.686 62.176 63.100 -0.397 0.000 0.879 373 P CB 1.721 33.497 31.700 0.126 0.000 1.214 374 F N -1.265 118.710 119.950 0.041 0.000 2.551 374 F HA 0.293 4.820 4.527 -0.000 0.000 0.316 374 F C 0.202 176.039 175.800 0.062 0.000 1.089 374 F CA -1.176 56.860 58.000 0.059 0.000 0.915 374 F CB 1.866 40.925 39.000 0.099 0.000 1.186 374 F HN -0.106 nan 8.300 nan 0.000 0.456 375 V N 2.691 122.728 119.914 0.205 0.000 2.397 375 V HA 0.261 4.381 4.120 -0.000 0.000 0.262 375 V C -0.201 175.962 176.094 0.116 0.000 1.047 375 V CA 0.157 62.537 62.300 0.133 0.000 1.003 375 V CB 0.153 32.030 31.823 0.090 0.000 1.037 375 V HN 0.826 nan 8.190 nan 0.000 0.480 376 T N 6.817 121.435 114.554 0.106 0.000 2.841 376 T HA 0.690 5.040 4.350 -0.000 0.000 0.283 376 T C -0.368 174.364 174.700 0.052 0.000 1.000 376 T CA -0.496 61.642 62.100 0.062 0.000 0.977 376 T CB 1.582 70.487 68.868 0.062 0.000 0.979 376 T HN 0.282 nan 8.240 nan 0.000 0.446 377 L N 1.508 122.749 121.223 0.030 0.000 2.332 377 L HA 0.503 4.842 4.340 -0.000 0.000 0.269 377 L C 0.021 176.905 176.870 0.022 0.000 1.016 377 L CA -1.127 53.730 54.840 0.028 0.000 0.809 377 L CB 0.769 42.840 42.059 0.020 0.000 1.280 377 L HN 0.643 nan 8.230 nan 0.000 0.447 378 D N 1.488 121.902 120.400 0.023 0.000 2.692 378 D HA -0.220 4.420 4.640 -0.000 0.000 0.233 378 D C 1.019 177.334 176.300 0.025 0.000 1.172 378 D CA 0.850 54.862 54.000 0.020 0.000 0.636 378 D CB -0.376 40.430 40.800 0.010 0.000 1.028 378 D HN 0.573 nan 8.370 nan 0.000 0.419 379 M N -0.714 118.908 119.600 0.036 0.000 2.394 379 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 379 M C 2.146 178.475 176.300 0.049 0.000 1.073 379 M CA 0.868 56.194 55.300 0.044 0.000 1.111 379 M CB -0.028 32.605 32.600 0.055 0.000 1.401 379 M HN 0.083 nan 8.290 nan 0.000 0.448 380 E N 1.140 121.367 120.200 0.044 0.000 2.160 380 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 380 E C 0.886 177.509 176.600 0.039 0.000 0.991 380 E CA 1.183 57.609 56.400 0.043 0.000 0.810 380 E CB 0.078 29.797 29.700 0.033 0.000 0.742 380 E HN 0.457 nan 8.360 nan 0.000 0.466 381 D N -0.371 120.047 120.400 0.031 0.000 2.363 381 D HA -0.063 4.577 4.640 -0.000 0.000 0.220 381 D C 1.508 177.832 176.300 0.040 0.000 0.994 381 D CA 0.317 54.332 54.000 0.026 0.000 0.890 381 D CB -0.034 40.773 40.800 0.012 0.000 0.906 381 D HN 0.304 nan 8.370 nan 0.000 0.530 382 C N 0.807 120.140 119.300 0.054 0.000 2.468 382 C HA 0.143 4.603 4.460 -0.000 0.000 0.277 382 C C 1.722 176.780 174.990 0.114 0.000 1.400 382 C CA -0.298 58.764 59.018 0.074 0.000 1.770 382 C CB -0.920 26.871 27.740 0.085 0.000 1.905 382 C HN 0.224 nan 8.230 nan 0.000 0.519 383 G N -0.812 108.054 108.800 0.110 0.000 2.441 383 G HA2 0.318 4.278 3.960 -0.000 0.000 0.243 383 G HA3 0.318 4.278 3.960 -0.000 0.000 0.243 383 G C -0.884 174.120 174.900 0.175 0.000 1.281 383 G CA 0.085 45.271 45.100 0.144 0.000 0.854 383 G HN 0.479 nan 8.290 nan 0.000 0.560 384 Y N 2.355 122.712 120.300 0.096 0.000 2.334 384 Y HA 0.450 5.000 4.550 -0.000 0.000 0.328 384 Y C 0.224 176.173 175.900 0.081 0.000 1.130 384 Y CA -0.901 57.263 58.100 0.106 0.000 1.163 384 Y CB 1.085 39.637 38.460 0.153 0.000 1.207 384 Y HN 0.508 nan 8.280 nan 0.000 0.471 385 N N 0.000 118.304 118.700 -0.660 0.000 1.763 385 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 385 N CA 0.000 52.771 53.050 -0.466 0.000 0.885 385 N CB 0.000 38.335 38.487 -0.253 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667