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 1xn2_1_B 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 0.000 176.660 176.600 0.100 0.000 1.382 1 E CA 0.000 56.449 56.400 0.081 0.000 0.976 1 E CB 0.000 29.748 29.700 0.080 0.000 0.812 2 M N 1.726 121.379 119.600 0.088 0.000 2.441 2 M HA 0.252 4.732 4.480 -0.000 0.000 0.244 2 M C 0.312 176.649 176.300 0.062 0.000 1.122 2 M CA 0.088 55.444 55.300 0.094 0.000 1.041 2 M CB 1.268 33.932 32.600 0.108 0.000 1.438 2 M HN -0.109 nan 8.290 nan 0.000 0.484 3 V N 2.587 122.525 119.914 0.041 0.000 2.655 3 V HA -0.073 4.047 4.120 -0.000 0.000 0.300 3 V C 0.266 176.351 176.094 -0.015 0.000 1.044 3 V CA 0.593 62.900 62.300 0.012 0.000 1.095 3 V CB 0.368 32.191 31.823 -0.000 0.000 0.952 3 V HN 0.508 nan 8.190 nan 0.000 0.485 4 D N 3.047 123.432 120.400 -0.025 0.000 2.800 4 D HA -0.160 4.480 4.640 -0.000 0.000 0.232 4 D C 0.812 177.067 176.300 -0.074 0.000 1.137 4 D CA 1.217 55.188 54.000 -0.048 0.000 0.718 4 D CB -0.835 39.932 40.800 -0.054 0.000 1.084 4 D HN 0.930 nan 8.370 nan 0.000 0.432 5 N N -0.269 118.403 118.700 -0.046 0.000 2.280 5 N HA 0.026 4.766 4.740 -0.000 0.000 0.192 5 N C 0.390 175.872 175.510 -0.047 0.000 1.109 5 N CA 0.064 53.085 53.050 -0.048 0.000 0.855 5 N CB 0.240 38.756 38.487 0.047 0.000 0.974 5 N HN 0.331 nan 8.380 nan 0.000 0.482 6 L N 0.149 121.333 121.223 -0.065 0.000 2.334 6 L HA 0.566 4.906 4.340 -0.000 0.000 0.272 6 L C 0.301 177.071 176.870 -0.167 0.000 1.020 6 L CA -0.873 53.906 54.840 -0.101 0.000 0.812 6 L CB 1.726 43.765 42.059 -0.034 0.000 1.264 6 L HN -0.068 nan 8.230 nan 0.000 0.439 7 R N 0.262 120.519 120.500 -0.405 0.000 2.836 7 R HA 0.840 5.180 4.340 -0.000 0.000 0.269 7 R C -0.525 175.428 176.300 -0.579 0.000 1.010 7 R CA -0.553 55.262 56.100 -0.475 0.000 0.930 7 R CB 2.339 32.288 30.300 -0.585 0.000 1.218 7 R HN 0.860 nan 8.270 nan 0.000 0.473 8 G N 0.858 109.445 108.800 -0.355 0.000 2.331 8 G HA2 0.015 3.975 3.960 -0.000 0.000 0.479 8 G HA3 0.015 3.975 3.960 -0.000 0.000 0.479 8 G C -1.787 172.730 174.900 -0.638 0.000 1.262 8 G CA -0.544 44.322 45.100 -0.391 0.000 1.029 8 G HN 0.692 nan 8.290 nan 0.000 0.487 9 K N -2.395 117.487 120.400 -0.863 0.000 2.579 9 K HA 0.701 5.021 4.320 -0.000 0.000 0.284 9 K C 1.223 177.482 176.600 -0.568 0.000 0.990 9 K CA 0.076 55.957 56.287 -0.677 0.000 0.880 9 K CB 1.204 33.549 32.500 -0.258 0.000 1.488 9 K HN 1.310 nan 8.250 nan 0.000 0.425 10 S N -0.081 115.524 115.700 -0.159 0.000 2.383 10 S HA -0.140 4.330 4.470 -0.000 0.000 0.229 10 S C 1.859 176.458 174.600 -0.002 0.000 1.030 10 S CA 1.361 59.588 58.200 0.044 0.000 1.002 10 S CB -0.876 62.401 63.200 0.128 0.000 0.829 10 S HN 0.814 nan 8.310 nan 0.000 0.467 11 G N 0.619 109.401 108.800 -0.031 0.000 2.484 11 G HA2 0.005 3.965 3.960 -0.000 0.000 0.218 11 G HA3 0.005 3.965 3.960 -0.000 0.000 0.218 11 G C 1.382 176.279 174.900 -0.005 0.000 1.130 11 G CA 0.502 45.595 45.100 -0.012 0.000 0.784 11 G HN 0.671 nan 8.290 nan 0.000 0.543 12 Q N -0.959 118.831 119.800 -0.016 0.000 2.164 12 Q HA 0.396 4.736 4.340 -0.000 0.000 0.226 12 Q C 0.719 176.836 176.000 0.195 0.000 0.813 12 Q CA 0.145 55.993 55.803 0.076 0.000 0.978 12 Q CB 1.801 30.568 28.738 0.048 0.000 1.149 12 Q HN 0.432 nan 8.270 nan 0.000 0.489 13 G N 0.757 109.560 108.800 0.005 0.000 2.663 13 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.686 13 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.686 13 G C -1.421 173.391 174.900 -0.147 0.000 1.246 13 G CA -0.985 44.092 45.100 -0.039 0.000 0.795 13 G HN 0.119 nan 8.290 nan 0.000 0.627 14 Y N 0.274 120.550 120.300 -0.040 0.000 2.360 14 Y HA 0.694 5.244 4.550 -0.000 0.000 0.337 14 Y C 0.695 176.549 175.900 -0.077 0.000 1.039 14 Y CA -0.187 57.866 58.100 -0.078 0.000 1.109 14 Y CB 1.863 40.265 38.460 -0.097 0.000 1.201 14 Y HN 0.822 nan 8.280 nan 0.000 0.458 15 Y N 0.178 120.502 120.300 0.041 0.000 2.605 15 Y HA 0.845 5.395 4.550 -0.000 0.000 0.343 15 Y C -1.787 174.125 175.900 0.020 0.000 1.036 15 Y CA -1.721 56.365 58.100 -0.023 0.000 1.065 15 Y CB 1.042 39.504 38.460 0.002 0.000 1.288 15 Y HN 0.411 nan 8.280 nan 0.000 0.481 16 V N 1.275 121.295 119.914 0.177 0.000 2.823 16 V HA 0.397 4.517 4.120 -0.000 0.000 0.312 16 V C -0.816 175.381 176.094 0.172 0.000 1.072 16 V CA -0.847 61.516 62.300 0.106 0.000 0.937 16 V CB 1.845 33.680 31.823 0.021 0.000 1.013 16 V HN 0.986 nan 8.190 nan 0.000 0.430 17 E N 4.960 125.262 120.200 0.170 0.000 2.338 17 E HA 0.467 4.817 4.350 -0.000 0.000 0.272 17 E C -0.848 175.795 176.600 0.071 0.000 1.029 17 E CA -0.178 56.313 56.400 0.151 0.000 0.872 17 E CB 0.879 30.689 29.700 0.184 0.000 1.015 17 E HN 0.667 nan 8.360 nan 0.000 0.417 18 M N 1.786 121.413 119.600 0.046 0.000 2.631 18 M HA 0.318 4.798 4.480 -0.000 0.000 0.288 18 M C -0.754 175.555 176.300 0.016 0.000 1.260 18 M CA -0.909 54.392 55.300 0.003 0.000 0.842 18 M CB 2.519 35.099 32.600 -0.033 0.000 1.743 18 M HN 0.557 nan 8.290 nan 0.000 0.461 19 T N -0.359 114.201 114.554 0.010 0.000 2.876 19 T HA 0.824 5.174 4.350 -0.000 0.000 0.289 19 T C -0.721 173.993 174.700 0.023 0.000 1.014 19 T CA -0.796 61.313 62.100 0.015 0.000 0.986 19 T CB 1.592 70.469 68.868 0.014 0.000 1.021 19 T HN 0.682 nan 8.240 nan 0.000 0.458 20 V N -0.979 118.935 119.914 -0.000 0.000 2.789 20 V HA 0.993 5.113 4.120 -0.000 0.000 0.311 20 V C 0.467 176.592 176.094 0.051 0.000 1.073 20 V CA 0.135 62.420 62.300 -0.026 0.000 0.921 20 V CB 0.658 32.316 31.823 -0.275 0.000 1.009 20 V HN 2.038 nan 8.190 nan 0.000 0.426 21 G N 3.045 111.913 108.800 0.113 0.000 2.796 21 G HA2 0.133 4.093 3.960 -0.000 0.000 0.571 21 G HA3 0.133 4.093 3.960 -0.000 0.000 0.571 21 G C -0.380 174.591 174.900 0.118 0.000 1.370 21 G CA -0.288 44.919 45.100 0.178 0.000 0.856 21 G HN 1.907 nan 8.290 nan 0.000 0.538 22 S N 2.278 118.047 115.700 0.116 0.000 2.733 22 S HA 0.684 5.154 4.470 -0.000 0.000 0.294 22 S C -2.271 172.368 174.600 0.066 0.000 1.149 22 S CA -0.549 57.698 58.200 0.078 0.000 1.034 22 S CB 2.805 66.049 63.200 0.073 0.000 1.015 22 S HN 0.809 nan 8.310 nan 0.000 0.486 23 P HA 0.281 nan 4.420 nan 0.000 0.272 23 P C -2.919 174.409 177.300 0.048 0.000 1.240 23 P CA -1.606 61.518 63.100 0.040 0.000 0.791 23 P CB -0.825 30.890 31.700 0.026 0.000 0.978 24 P HA 0.079 nan 4.420 nan 0.000 0.261 24 P C -0.495 176.826 177.300 0.034 0.000 1.183 24 P CA 0.697 63.820 63.100 0.038 0.000 0.761 24 P CB 0.074 31.789 31.700 0.024 0.000 0.785 25 Q N 1.658 121.483 119.800 0.042 0.000 2.347 25 Q HA 0.281 4.621 4.340 -0.000 0.000 0.262 25 Q C -0.236 175.774 176.000 0.016 0.000 0.980 25 Q CA -0.429 55.393 55.803 0.032 0.000 0.867 25 Q CB 0.976 29.758 28.738 0.072 0.000 1.242 25 Q HN 0.354 nan 8.270 nan 0.000 0.453 26 T N 3.888 118.448 114.554 0.010 0.000 2.851 26 T HA 0.411 4.761 4.350 -0.000 0.000 0.298 26 T C -0.189 174.517 174.700 0.011 0.000 0.977 26 T CA 0.003 62.112 62.100 0.014 0.000 1.126 26 T CB 0.208 69.089 68.868 0.021 0.000 0.916 26 T HN 0.335 nan 8.240 nan 0.000 0.529 27 L N 3.440 124.676 121.223 0.020 0.000 2.434 27 L HA 0.457 4.797 4.340 -0.000 0.000 0.260 27 L C -0.100 176.801 176.870 0.051 0.000 0.983 27 L CA -0.979 53.874 54.840 0.021 0.000 0.820 27 L CB 2.284 44.350 42.059 0.011 0.000 1.361 27 L HN 0.561 nan 8.230 nan 0.000 0.410 28 N N 2.624 121.346 118.700 0.037 0.000 2.426 28 N HA 0.539 5.279 4.740 -0.000 0.000 0.275 28 N C -1.187 174.391 175.510 0.113 0.000 1.019 28 N CA -0.595 52.497 53.050 0.069 0.000 0.941 28 N CB 1.418 39.807 38.487 -0.164 0.000 1.123 28 N HN 0.246 nan 8.380 nan 0.000 0.486 29 I N 3.121 123.784 120.570 0.155 0.000 2.418 29 I HA 0.212 4.382 4.170 -0.000 0.000 0.287 29 I C -0.075 176.043 176.117 0.002 0.000 1.008 29 I CA -0.799 60.562 61.300 0.101 0.000 1.104 29 I CB 1.340 39.396 38.000 0.094 0.000 1.264 29 I HN 0.453 nan 8.210 nan 0.000 0.438 30 L N 7.440 128.507 121.223 -0.259 0.000 2.499 30 L HA 0.126 4.466 4.340 -0.000 0.000 0.273 30 L C -0.219 176.485 176.870 -0.277 0.000 1.195 30 L CA 0.368 54.892 54.840 -0.526 0.000 0.882 30 L CB 0.678 41.978 42.059 -1.266 0.000 1.133 30 L HN 0.349 nan 8.230 nan 0.000 0.483 31 V N 4.964 124.763 119.914 -0.191 0.000 2.368 31 V HA 0.228 4.348 4.120 -0.000 0.000 0.266 31 V C -0.410 175.590 176.094 -0.156 0.000 1.045 31 V CA -0.252 61.949 62.300 -0.165 0.000 0.899 31 V CB 0.992 32.738 31.823 -0.128 0.000 1.006 31 V HN 0.770 nan 8.190 nan 0.000 0.470 32 D N 3.045 123.360 120.400 -0.143 0.000 2.440 32 D HA 0.269 4.909 4.640 -0.000 0.000 0.252 32 D C 1.088 177.369 176.300 -0.032 0.000 1.180 32 D CA -0.225 53.729 54.000 -0.077 0.000 0.894 32 D CB 1.664 42.434 40.800 -0.050 0.000 1.111 32 D HN 0.589 nan 8.370 nan 0.000 0.544 33 T N -0.225 114.318 114.554 -0.019 0.000 3.148 33 T HA 0.138 4.488 4.350 -0.000 0.000 0.253 33 T C 1.567 176.399 174.700 0.220 0.000 1.134 33 T CA 0.207 62.349 62.100 0.070 0.000 1.051 33 T CB 0.262 69.077 68.868 -0.089 0.000 0.959 33 T HN 0.297 nan 8.240 nan 0.000 0.525 34 G N 0.957 109.860 108.800 0.171 0.000 3.189 34 G HA2 0.418 4.378 3.960 -0.000 0.000 0.225 34 G HA3 0.418 4.378 3.960 -0.000 0.000 0.225 34 G C 0.358 175.400 174.900 0.235 0.000 1.159 34 G CA 0.133 45.376 45.100 0.239 0.000 0.763 34 G HN 0.757 nan 8.290 nan 0.000 0.549 35 S N -1.950 113.844 115.700 0.158 0.000 2.705 35 S HA 0.654 5.124 4.470 -0.000 0.000 0.280 35 S C -0.081 174.560 174.600 0.068 0.000 1.174 35 S CA -0.290 57.989 58.200 0.132 0.000 0.823 35 S CB 1.838 65.240 63.200 0.336 0.000 1.162 35 S HN -0.052 nan 8.310 nan 0.000 0.487 36 S N 0.132 115.870 115.700 0.063 0.000 2.900 36 S HA 0.385 4.855 4.470 -0.000 0.000 0.253 36 S C -0.657 174.028 174.600 0.140 0.000 1.029 36 S CA -0.477 57.763 58.200 0.067 0.000 1.096 36 S CB -0.396 62.813 63.200 0.014 0.000 1.067 36 S HN 0.675 nan 8.310 nan 0.000 0.610 37 N N 1.312 120.137 118.700 0.207 0.000 2.399 37 N HA 0.483 5.223 4.740 -0.000 0.000 0.295 37 N C -1.357 174.372 175.510 0.365 0.000 1.048 37 N CA -0.446 52.778 53.050 0.290 0.000 0.886 37 N CB 1.150 39.852 38.487 0.359 0.000 1.185 37 N HN 0.300 nan 8.380 nan 0.000 0.487 38 F N 2.134 122.172 119.950 0.146 0.000 2.391 38 F HA 0.688 5.215 4.527 -0.000 0.000 0.359 38 F C -0.414 175.396 175.800 0.018 0.000 1.122 38 F CA -0.617 57.420 58.000 0.062 0.000 1.120 38 F CB 0.379 39.412 39.000 0.055 0.000 1.142 38 F HN 0.466 nan 8.300 nan 0.000 0.483 39 A N 5.658 128.328 122.820 -0.250 0.000 2.515 39 A HA 0.766 5.086 4.320 -0.000 0.000 0.298 39 A C -1.492 175.818 177.584 -0.457 0.000 1.059 39 A CA -0.547 51.170 52.037 -0.534 0.000 0.698 39 A CB 1.758 20.195 19.000 -0.939 0.000 1.289 39 A HN 0.963 nan 8.150 nan 0.000 0.404 40 V N -0.804 118.867 119.914 -0.405 0.000 2.925 40 V HA 0.917 5.037 4.120 -0.000 0.000 0.311 40 V C 0.414 176.512 176.094 0.007 0.000 1.104 40 V CA -0.301 61.911 62.300 -0.146 0.000 0.954 40 V CB 1.236 32.919 31.823 -0.234 0.000 1.022 40 V HN 1.762 nan 8.190 nan 0.000 0.427 41 G N 1.407 110.308 108.800 0.169 0.000 2.305 41 G HA2 0.503 4.463 3.960 -0.000 0.000 0.243 41 G HA3 0.503 4.463 3.960 -0.000 0.000 0.243 41 G C 0.548 175.512 174.900 0.106 0.000 1.288 41 G CA 0.185 45.351 45.100 0.111 0.000 0.901 41 G HN 1.915 nan 8.290 nan 0.000 0.516 42 A N 1.387 124.229 122.820 0.036 0.000 2.571 42 A HA 0.783 5.103 4.320 -0.000 0.000 0.274 42 A C 0.744 178.223 177.584 -0.175 0.000 1.196 42 A CA 0.754 52.819 52.037 0.047 0.000 0.957 42 A CB 0.140 19.149 19.000 0.015 0.000 1.150 42 A HN 1.878 nan 8.150 nan 0.000 0.539 43 A N 0.415 122.933 122.820 -0.504 0.000 2.604 43 A HA 0.747 5.067 4.320 -0.000 0.000 0.295 43 A C -3.234 173.714 177.584 -1.060 0.000 1.067 43 A CA -1.431 50.114 52.037 -0.821 0.000 0.683 43 A CB 0.842 19.639 19.000 -0.339 0.000 1.281 43 A HN 0.026 nan 8.150 nan 0.000 0.407 44 P HA 0.158 nan 4.420 nan 0.000 0.267 44 P C -0.892 176.287 177.300 -0.201 0.000 1.201 44 P CA 0.674 63.491 63.100 -0.473 0.000 0.775 44 P CB 0.319 31.910 31.700 -0.182 0.000 0.854 45 H N 1.896 120.841 119.070 -0.209 0.000 3.085 45 H HA 0.192 4.748 4.556 -0.000 0.000 0.356 45 H C -2.156 173.078 175.328 -0.157 0.000 1.178 45 H CA -1.471 54.455 56.048 -0.205 0.000 1.214 45 H CB 1.912 31.512 29.762 -0.269 0.000 1.881 45 H HN 0.060 nan 8.280 nan 0.000 0.538 46 P HA -0.115 nan 4.420 nan 0.000 0.216 46 P C 1.206 178.631 177.300 0.210 0.000 1.154 46 P CA 1.524 64.510 63.100 -0.189 0.000 0.865 46 P CB -0.035 31.395 31.700 -0.451 0.000 0.789 47 F N -1.934 118.182 119.950 0.276 0.000 2.789 47 F HA 0.111 4.638 4.527 -0.000 0.000 0.300 47 F C 0.975 176.781 175.800 0.010 0.000 1.132 47 F CA -0.526 57.559 58.000 0.142 0.000 1.404 47 F CB 0.043 39.115 39.000 0.122 0.000 1.114 47 F HN -0.185 nan 8.300 nan 0.000 0.584 48 L N 0.264 121.587 121.223 0.167 0.000 2.282 48 L HA 0.238 4.578 4.340 -0.000 0.000 0.288 48 L C 0.737 177.730 176.870 0.203 0.000 1.033 48 L CA -0.648 54.205 54.840 0.023 0.000 0.807 48 L CB 1.010 42.963 42.059 -0.177 0.000 1.209 48 L HN -0.003 nan 8.230 nan 0.000 0.423 49 H N 2.204 121.240 119.070 -0.055 0.000 2.482 49 H HA 0.103 4.659 4.556 -0.000 0.000 0.286 49 H C 0.207 175.518 175.328 -0.029 0.000 1.017 49 H CA 0.472 56.501 56.048 -0.032 0.000 1.322 49 H CB 0.174 29.906 29.762 -0.051 0.000 1.426 49 H HN 0.494 nan 8.280 nan 0.000 0.546 50 R N -1.002 119.552 120.500 0.090 0.000 2.781 50 R HA 0.450 4.790 4.340 -0.000 0.000 0.269 50 R C -1.617 174.705 176.300 0.037 0.000 1.025 50 R CA -1.081 55.007 56.100 -0.020 0.000 0.914 50 R CB 1.873 32.138 30.300 -0.058 0.000 1.236 50 R HN 0.104 nan 8.270 nan 0.000 0.465 51 Y N -2.204 118.082 120.300 -0.023 0.000 2.670 51 Y HA 0.477 5.027 4.550 -0.000 0.000 0.334 51 Y C -1.642 174.293 175.900 0.058 0.000 1.185 51 Y CA -1.727 56.363 58.100 -0.017 0.000 1.053 51 Y CB 0.627 39.054 38.460 -0.055 0.000 1.298 51 Y HN 0.591 nan 8.280 nan 0.000 0.459 52 Y N 2.816 123.186 120.300 0.116 0.000 2.436 52 Y HA 0.338 4.888 4.550 -0.000 0.000 0.336 52 Y C -0.515 175.418 175.900 0.057 0.000 1.049 52 Y CA -0.744 57.363 58.100 0.012 0.000 1.294 52 Y CB 0.841 39.280 38.460 -0.034 0.000 1.179 52 Y HN 0.686 nan 8.280 nan 0.000 0.520 53 Q N 7.324 127.063 119.800 -0.101 0.000 2.509 53 Q HA 0.271 4.611 4.340 -0.000 0.000 0.236 53 Q C 0.950 176.646 176.000 -0.506 0.000 1.073 53 Q CA -0.423 55.237 55.803 -0.238 0.000 0.867 53 Q CB 0.940 29.593 28.738 -0.142 0.000 1.181 53 Q HN 0.812 nan 8.270 nan 0.000 0.526 54 R N 0.902 120.880 120.500 -0.870 0.000 2.105 54 R HA -0.213 4.127 4.340 -0.000 0.000 0.239 54 R C 1.554 177.553 176.300 -0.502 0.000 1.135 54 R CA 1.585 57.061 56.100 -1.041 0.000 0.967 54 R CB 0.124 29.550 30.300 -1.456 0.000 0.861 54 R HN 0.599 nan 8.270 nan 0.000 0.442 55 Q N 0.226 119.842 119.800 -0.306 0.000 2.291 55 Q HA -0.084 4.256 4.340 -0.000 0.000 0.206 55 Q C 1.580 177.535 176.000 -0.075 0.000 0.976 55 Q CA 0.864 56.589 55.803 -0.131 0.000 0.875 55 Q CB 0.096 28.781 28.738 -0.088 0.000 0.927 55 Q HN 0.410 nan 8.270 nan 0.000 0.450 56 L N -0.165 121.001 121.223 -0.094 0.000 2.592 56 L HA 0.146 4.486 4.340 -0.000 0.000 0.227 56 L C 0.735 177.606 176.870 0.002 0.000 1.127 56 L CA -0.227 54.590 54.840 -0.039 0.000 0.884 56 L CB 0.417 42.450 42.059 -0.044 0.000 1.065 56 L HN -0.099 nan 8.230 nan 0.000 0.457 57 S N -0.462 115.245 115.700 0.011 0.000 2.433 57 S HA 0.200 4.670 4.470 -0.000 0.000 0.310 57 S C 1.177 175.853 174.600 0.126 0.000 1.097 57 S CA -0.466 57.792 58.200 0.096 0.000 1.103 57 S CB 1.350 64.657 63.200 0.179 0.000 0.992 57 S HN 0.303 nan 8.310 nan 0.000 0.469 58 S N 2.974 118.734 115.700 0.101 0.000 2.481 58 S HA -0.077 4.393 4.470 -0.000 0.000 0.231 58 S C 1.400 176.061 174.600 0.102 0.000 0.996 58 S CA 1.065 59.319 58.200 0.089 0.000 0.942 58 S CB -0.676 62.560 63.200 0.060 0.000 0.768 58 S HN 0.852 nan 8.310 nan 0.000 0.520 59 T N -2.220 112.411 114.554 0.128 0.000 3.069 59 T HA 0.228 4.578 4.350 -0.000 0.000 0.252 59 T C 0.238 175.032 174.700 0.156 0.000 1.053 59 T CA -0.615 61.554 62.100 0.115 0.000 0.964 59 T CB -0.697 68.233 68.868 0.103 0.000 1.005 59 T HN 0.432 nan 8.240 nan 0.000 0.532 60 Y N 3.151 123.501 120.300 0.083 0.000 2.511 60 Y HA 0.412 4.962 4.550 -0.000 0.000 0.332 60 Y C 0.063 176.003 175.900 0.067 0.000 1.177 60 Y CA -1.096 57.064 58.100 0.100 0.000 1.422 60 Y CB 0.416 38.919 38.460 0.072 0.000 1.271 60 Y HN 0.041 nan 8.280 nan 0.000 0.550 61 R N 4.684 124.759 120.500 -0.709 0.000 2.476 61 R HA 0.171 4.511 4.340 -0.000 0.000 0.305 61 R C -1.573 174.233 176.300 -0.823 0.000 0.965 61 R CA -0.972 54.752 56.100 -0.627 0.000 0.867 61 R CB 1.090 31.250 30.300 -0.233 0.000 1.176 61 R HN 0.637 nan 8.270 nan 0.000 0.447 62 D N 3.776 123.749 120.400 -0.711 0.000 2.316 62 D HA 0.076 4.716 4.640 -0.000 0.000 0.245 62 D C 0.564 176.796 176.300 -0.112 0.000 1.171 62 D CA -0.154 53.655 54.000 -0.319 0.000 0.856 62 D CB 1.087 41.826 40.800 -0.101 0.000 1.090 62 D HN 0.495 nan 8.370 nan 0.000 0.476 63 L N 3.562 124.766 121.223 -0.031 0.000 2.591 63 L HA 0.195 4.535 4.340 -0.000 0.000 0.228 63 L C 1.057 177.941 176.870 0.023 0.000 1.133 63 L CA -0.133 54.707 54.840 0.001 0.000 0.880 63 L CB -0.200 41.876 42.059 0.027 0.000 1.033 63 L HN 0.472 nan 8.230 nan 0.000 0.450 64 R N 1.083 121.604 120.500 0.036 0.000 3.251 64 R HA -0.207 4.133 4.340 -0.000 0.000 0.249 64 R C -0.102 176.226 176.300 0.046 0.000 0.949 64 R CA 0.735 56.860 56.100 0.041 0.000 0.645 64 R CB -1.267 29.048 30.300 0.025 0.000 1.065 64 R HN 0.268 nan 8.270 nan 0.000 0.452 65 K N -0.472 119.965 120.400 0.062 0.000 2.525 65 K HA 0.459 4.779 4.320 -0.000 0.000 0.254 65 K C -0.105 176.546 176.600 0.084 0.000 0.934 65 K CA -0.137 56.188 56.287 0.063 0.000 0.802 65 K CB 1.733 34.268 32.500 0.058 0.000 1.295 65 K HN 0.147 nan 8.250 nan 0.000 0.433 66 G N 1.188 110.036 108.800 0.080 0.000 2.547 66 G HA2 0.600 4.560 3.960 -0.000 0.000 0.291 66 G HA3 0.600 4.560 3.960 -0.000 0.000 0.291 66 G C -1.243 173.727 174.900 0.117 0.000 1.211 66 G CA -0.496 44.665 45.100 0.101 0.000 0.950 66 G HN 0.464 nan 8.290 nan 0.000 0.504 67 V N -0.258 119.751 119.914 0.159 0.000 3.077 67 V HA 0.679 4.799 4.120 -0.000 0.000 0.299 67 V C -2.216 173.971 176.094 0.153 0.000 1.276 67 V CA -0.927 61.465 62.300 0.152 0.000 0.993 67 V CB 1.993 33.938 31.823 0.203 0.000 1.076 67 V HN 0.938 nan 8.190 nan 0.000 0.434 68 Y N 5.106 125.309 120.300 -0.162 0.000 2.373 68 Y HA 0.812 5.362 4.550 -0.000 0.000 0.336 68 Y C -1.436 174.101 175.900 -0.605 0.000 0.979 68 Y CA -0.854 57.046 58.100 -0.333 0.000 1.080 68 Y CB 2.197 40.538 38.460 -0.198 0.000 1.190 68 Y HN 0.490 nan 8.280 nan 0.000 0.446 69 V N 9.070 127.985 119.914 -1.665 0.000 2.482 69 V HA 0.508 4.628 4.120 -0.000 0.000 0.295 69 V C -2.546 172.525 176.094 -1.705 0.000 1.026 69 V CA -1.541 59.736 62.300 -1.706 0.000 0.856 69 V CB 1.888 32.613 31.823 -1.829 0.000 1.001 69 V HN 0.685 nan 8.190 nan 0.000 0.424 70 P HA 0.572 nan 4.420 nan 0.000 0.299 70 P C -1.746 175.150 177.300 -0.674 0.000 1.323 70 P CA -0.526 62.096 63.100 -0.798 0.000 0.896 70 P CB 1.816 33.221 31.700 -0.493 0.000 1.081 71 Y N -0.737 119.465 120.300 -0.164 0.000 2.659 71 Y HA 0.289 4.839 4.550 -0.000 0.000 0.333 71 Y C 2.321 178.212 175.900 -0.015 0.000 1.064 71 Y CA -0.378 57.691 58.100 -0.052 0.000 1.141 71 Y CB 0.397 38.877 38.460 0.033 0.000 1.316 71 Y HN 0.190 nan 8.280 nan 0.000 0.509 72 T N -0.153 114.516 114.554 0.191 0.000 2.699 72 T HA -0.231 4.119 4.350 -0.000 0.000 0.268 72 T C 0.288 175.048 174.700 0.100 0.000 1.036 72 T CA 1.750 63.906 62.100 0.094 0.000 1.147 72 T CB -0.218 68.686 68.868 0.059 0.000 0.862 72 T HN 0.411 nan 8.240 nan 0.000 0.446 73 Q N -0.466 119.418 119.800 0.140 0.000 2.275 73 Q HA 0.508 4.848 4.340 -0.000 0.000 0.266 73 Q C -0.562 175.553 176.000 0.191 0.000 1.002 73 Q CA 0.267 56.147 55.803 0.129 0.000 0.761 73 Q CB 1.470 30.260 28.738 0.087 0.000 1.255 73 Q HN 0.428 nan 8.270 nan 0.000 0.446 74 G N 2.716 111.645 108.800 0.214 0.000 2.617 74 G HA2 0.223 4.183 3.960 -0.000 0.000 0.686 74 G HA3 0.223 4.183 3.960 -0.000 0.000 0.686 74 G C -1.679 173.423 174.900 0.337 0.000 1.214 74 G CA -0.376 44.903 45.100 0.299 0.000 0.796 74 G HN 0.815 nan 8.290 nan 0.000 0.654 75 K N -0.320 120.239 120.400 0.265 0.000 2.587 75 K HA 0.760 5.080 4.320 -0.000 0.000 0.276 75 K C -0.740 175.871 176.600 0.019 0.000 0.956 75 K CA -1.108 55.192 56.287 0.021 0.000 0.857 75 K CB 1.864 34.360 32.500 -0.007 0.000 1.431 75 K HN 1.605 nan 8.250 nan 0.000 0.420 76 W N 0.468 121.669 121.300 -0.166 0.000 3.075 76 W HA 0.583 5.243 4.660 -0.000 0.000 0.334 76 W C -1.560 174.942 176.519 -0.029 0.000 1.243 76 W CA -0.675 56.579 57.345 -0.152 0.000 1.170 76 W CB 1.135 30.336 29.460 -0.431 0.000 1.452 76 W HN 0.646 nan 8.180 nan 0.000 0.572 77 E N 0.439 120.938 120.200 0.498 0.000 2.266 77 E HA 0.675 5.025 4.350 -0.000 0.000 0.268 77 E C -0.233 176.646 176.600 0.464 0.000 0.879 77 E CA -0.636 56.025 56.400 0.435 0.000 0.762 77 E CB 2.767 32.622 29.700 0.258 0.000 1.199 77 E HN 0.705 nan 8.360 nan 0.000 0.422 78 G N 1.401 110.454 108.800 0.422 0.000 2.706 78 G HA2 0.424 4.384 3.960 -0.000 0.000 0.307 78 G HA3 0.424 4.384 3.960 -0.000 0.000 0.307 78 G C -1.380 173.641 174.900 0.202 0.000 1.307 78 G CA -0.641 44.615 45.100 0.259 0.000 0.790 78 G HN 0.403 nan 8.290 nan 0.000 0.503 79 E N -0.222 120.066 120.200 0.146 0.000 2.210 79 E HA 0.478 4.827 4.350 -0.000 0.000 0.266 79 E C -0.757 175.935 176.600 0.153 0.000 0.883 79 E CA -0.562 55.921 56.400 0.137 0.000 0.761 79 E CB 2.735 32.503 29.700 0.114 0.000 1.156 79 E HN 0.268 nan 8.360 nan 0.000 0.412 80 L N 2.016 123.330 121.223 0.152 0.000 2.371 80 L HA 0.663 5.003 4.340 -0.000 0.000 0.272 80 L C 0.673 177.641 176.870 0.164 0.000 1.124 80 L CA -0.061 54.871 54.840 0.152 0.000 0.816 80 L CB 0.975 43.110 42.059 0.127 0.000 1.129 80 L HN 0.696 nan 8.230 nan 0.000 0.448 81 G N 0.395 109.306 108.800 0.184 0.000 2.619 81 G HA2 0.621 4.581 3.960 -0.000 0.000 0.305 81 G HA3 0.621 4.581 3.960 -0.000 0.000 0.305 81 G C -1.298 173.693 174.900 0.152 0.000 1.330 81 G CA -0.105 45.090 45.100 0.158 0.000 0.789 81 G HN 0.570 nan 8.290 nan 0.000 0.487 82 T N -2.023 112.592 114.554 0.102 0.000 2.903 82 T HA 0.760 5.110 4.350 -0.000 0.000 0.299 82 T C -1.561 173.246 174.700 0.178 0.000 1.093 82 T CA -0.605 61.574 62.100 0.132 0.000 1.002 82 T CB 2.946 71.857 68.868 0.071 0.000 1.127 82 T HN 0.638 nan 8.240 nan 0.000 0.488 83 D N 0.027 120.546 120.400 0.198 0.000 2.665 83 D HA 0.376 5.016 4.640 -0.000 0.000 0.287 83 D C -1.020 175.379 176.300 0.165 0.000 1.266 83 D CA -0.637 53.491 54.000 0.213 0.000 0.830 83 D CB 1.851 42.839 40.800 0.313 0.000 1.356 83 D HN 0.686 nan 8.370 nan 0.000 0.437 84 L N 0.945 122.253 121.223 0.143 0.000 2.326 84 L HA 0.555 4.895 4.340 -0.000 0.000 0.278 84 L C -0.200 176.747 176.870 0.127 0.000 1.092 84 L CA -0.696 54.213 54.840 0.115 0.000 0.810 84 L CB 1.323 43.434 42.059 0.086 0.000 1.153 84 L HN 0.070 nan 8.230 nan 0.000 0.439 85 V N 1.906 121.907 119.914 0.146 0.000 2.656 85 V HA 0.560 4.680 4.120 -0.000 0.000 0.307 85 V C -0.268 175.900 176.094 0.123 0.000 1.051 85 V CA -0.422 61.974 62.300 0.159 0.000 0.893 85 V CB 2.098 34.090 31.823 0.283 0.000 0.999 85 V HN 0.850 nan 8.190 nan 0.000 0.426 86 S N 3.606 119.350 115.700 0.072 0.000 2.632 86 S HA 0.767 5.237 4.470 -0.000 0.000 0.289 86 S C -0.829 173.779 174.600 0.014 0.000 1.115 86 S CA -0.590 57.637 58.200 0.046 0.000 0.889 86 S CB 2.016 65.228 63.200 0.021 0.000 1.116 86 S HN 0.559 nan 8.310 nan 0.000 0.486 87 I N 2.386 122.959 120.570 0.006 0.000 2.493 87 I HA 0.280 4.450 4.170 -0.000 0.000 0.279 87 I C -2.134 173.956 176.117 -0.046 0.000 1.045 87 I CA -2.109 59.183 61.300 -0.014 0.000 1.106 87 I CB 1.981 39.986 38.000 0.008 0.000 1.216 87 I HN 0.383 nan 8.210 nan 0.000 0.459 88 P HA -0.185 nan 4.420 nan 0.000 0.216 88 P C 0.559 177.599 177.300 -0.434 0.000 1.154 88 P CA 1.572 64.504 63.100 -0.280 0.000 0.865 88 P CB 0.053 31.547 31.700 -0.342 0.000 0.789 89 H N -1.336 117.751 119.070 0.027 0.000 2.507 89 H HA 0.526 5.082 4.556 -0.000 0.000 0.271 89 H C 0.939 176.287 175.328 0.033 0.000 1.224 89 H CA 0.027 56.092 56.048 0.028 0.000 1.000 89 H CB 0.004 29.780 29.762 0.024 0.000 1.663 89 H HN 0.108 nan 8.280 nan 0.000 0.548 90 G N 0.866 109.711 108.800 0.074 0.000 3.135 90 G HA2 0.328 4.288 3.960 -0.000 0.000 0.278 90 G HA3 0.328 4.288 3.960 -0.000 0.000 0.278 90 G C -2.666 172.270 174.900 0.059 0.000 1.302 90 G CA -1.341 43.806 45.100 0.079 0.000 0.880 90 G HN -0.082 nan 8.290 nan 0.000 0.574 91 P HA 0.055 nan 4.420 nan 0.000 0.269 91 P C -0.681 176.635 177.300 0.027 0.000 1.215 91 P CA -0.300 62.828 63.100 0.046 0.000 0.780 91 P CB 0.721 32.447 31.700 0.043 0.000 0.898 92 N N 1.743 120.457 118.700 0.023 0.000 2.895 92 N HA 0.194 4.934 4.740 -0.000 0.000 0.277 92 N C -0.539 174.977 175.510 0.010 0.000 1.185 92 N CA -0.054 53.004 53.050 0.013 0.000 1.106 92 N CB -0.793 37.703 38.487 0.015 0.000 1.422 92 N HN 0.220 nan 8.380 nan 0.000 0.521 93 V N -0.882 119.035 119.914 0.005 0.000 3.181 93 V HA 0.701 4.821 4.120 -0.000 0.000 0.308 93 V C -0.217 175.877 176.094 0.000 0.000 1.214 93 V CA -0.780 61.517 62.300 -0.006 0.000 1.053 93 V CB 1.894 33.700 31.823 -0.029 0.000 1.069 93 V HN 0.137 nan 8.190 nan 0.000 0.441 94 T N 1.758 116.308 114.554 -0.008 0.000 2.879 94 T HA 0.728 5.078 4.350 -0.000 0.000 0.290 94 T C -0.631 174.061 174.700 -0.012 0.000 0.993 94 T CA -0.263 61.842 62.100 0.008 0.000 0.975 94 T CB 1.340 70.217 68.868 0.015 0.000 0.981 94 T HN 1.586 nan 8.240 nan 0.000 0.439 95 V N 1.642 121.555 119.914 -0.001 0.000 2.914 95 V HA 0.751 4.871 4.120 -0.000 0.000 0.314 95 V C -0.355 175.746 176.094 0.013 0.000 1.084 95 V CA -1.500 60.773 62.300 -0.046 0.000 0.963 95 V CB 1.954 33.674 31.823 -0.172 0.000 1.025 95 V HN 0.825 nan 8.190 nan 0.000 0.432 96 R N 2.298 122.796 120.500 -0.003 0.000 2.221 96 R HA 0.788 5.128 4.340 -0.000 0.000 0.327 96 R C -0.263 176.066 176.300 0.047 0.000 1.033 96 R CA 0.383 56.508 56.100 0.041 0.000 0.887 96 R CB 0.878 31.193 30.300 0.025 0.000 1.057 96 R HN 1.254 nan 8.270 nan 0.000 0.455 97 A N 3.964 126.864 122.820 0.134 0.000 2.479 97 A HA 0.450 4.770 4.320 -0.000 0.000 0.296 97 A C -1.093 176.629 177.584 0.230 0.000 1.121 97 A CA -1.079 51.068 52.037 0.182 0.000 0.743 97 A CB 1.319 20.525 19.000 0.343 0.000 1.323 97 A HN 0.767 nan 8.150 nan 0.000 0.415 98 N N 0.429 119.268 118.700 0.232 0.000 2.513 98 N HA 0.416 5.156 4.740 -0.000 0.000 0.268 98 N C -0.928 174.750 175.510 0.280 0.000 1.180 98 N CA 0.588 53.768 53.050 0.217 0.000 0.948 98 N CB 0.631 39.229 38.487 0.184 0.000 1.083 98 N HN 0.505 nan 8.380 nan 0.000 0.455 99 I N 0.906 121.578 120.570 0.170 0.000 2.534 99 I HA 0.307 4.477 4.170 -0.000 0.000 0.288 99 I C -0.390 175.736 176.117 0.016 0.000 1.077 99 I CA -0.995 60.305 61.300 0.001 0.000 1.051 99 I CB 1.930 39.878 38.000 -0.086 0.000 1.234 99 I HN 0.357 nan 8.210 nan 0.000 0.425 100 A N 4.894 127.666 122.820 -0.080 0.000 2.276 100 A HA 0.783 5.103 4.320 -0.000 0.000 0.300 100 A C 0.168 177.656 177.584 -0.161 0.000 1.235 100 A CA -0.409 51.599 52.037 -0.049 0.000 0.867 100 A CB 0.705 19.687 19.000 -0.030 0.000 1.137 100 A HN 0.810 nan 8.150 nan 0.000 0.527 101 A N 3.888 126.702 122.820 -0.010 0.000 2.316 101 A HA 0.556 4.876 4.320 -0.000 0.000 0.311 101 A C 0.031 177.585 177.584 -0.049 0.000 1.339 101 A CA -0.363 51.685 52.037 0.019 0.000 0.960 101 A CB -0.351 18.690 19.000 0.068 0.000 1.152 101 A HN 0.767 nan 8.150 nan 0.000 0.547 102 I N 3.403 123.894 120.570 -0.131 0.000 2.517 102 I HA 0.060 4.230 4.170 -0.000 0.000 0.285 102 I C 1.547 177.685 176.117 0.036 0.000 1.106 102 I CA 0.306 61.546 61.300 -0.099 0.000 1.402 102 I CB 1.125 39.009 38.000 -0.193 0.000 1.399 102 I HN 0.851 nan 8.210 nan 0.000 0.535 103 T N 0.986 115.590 114.554 0.084 0.000 2.990 103 T HA 0.251 4.601 4.350 -0.000 0.000 0.249 103 T C 0.581 175.343 174.700 0.104 0.000 1.039 103 T CA 0.002 62.141 62.100 0.065 0.000 1.036 103 T CB 0.548 69.448 68.868 0.054 0.000 0.994 103 T HN 0.395 nan 8.240 nan 0.000 0.489 104 E N 1.076 121.376 120.200 0.166 0.000 2.366 104 E HA 0.622 4.972 4.350 -0.000 0.000 0.278 104 E C -1.340 175.409 176.600 0.248 0.000 0.923 104 E CA -0.371 56.140 56.400 0.184 0.000 0.761 104 E CB 2.566 32.347 29.700 0.136 0.000 1.231 104 E HN 0.433 nan 8.360 nan 0.000 0.443 105 S N 1.126 116.983 115.700 0.261 0.000 2.615 105 S HA 0.731 5.201 4.470 -0.000 0.000 0.269 105 S C -1.522 173.230 174.600 0.252 0.000 1.161 105 S CA -0.964 57.397 58.200 0.269 0.000 0.817 105 S CB 2.373 65.731 63.200 0.263 0.000 1.131 105 S HN 0.301 nan 8.310 nan 0.000 0.467 106 D N -0.062 120.484 120.400 0.244 0.000 2.890 106 D HA 0.424 5.064 4.640 -0.000 0.000 0.233 106 D C -0.875 175.570 176.300 0.242 0.000 1.306 106 D CA -0.446 53.685 54.000 0.219 0.000 0.929 106 D CB 0.967 41.867 40.800 0.167 0.000 1.512 106 D HN 0.723 nan 8.370 nan 0.000 0.568 107 K N 1.951 122.496 120.400 0.242 0.000 3.020 107 K HA -0.271 4.049 4.320 -0.000 0.000 0.266 107 K C 0.237 176.986 176.600 0.248 0.000 1.067 107 K CA 0.699 57.123 56.287 0.228 0.000 0.780 107 K CB -1.307 31.300 32.500 0.178 0.000 1.220 107 K HN 0.444 nan 8.250 nan 0.000 0.483 108 F N 0.384 120.373 119.950 0.065 0.000 2.289 108 F HA 0.236 4.763 4.527 -0.000 0.000 0.280 108 F C 0.795 176.532 175.800 -0.105 0.000 1.045 108 F CA 0.126 58.099 58.000 -0.046 0.000 1.236 108 F CB 0.180 39.081 39.000 -0.166 0.000 1.116 108 F HN -0.064 nan 8.300 nan 0.000 0.550 109 F N 1.880 121.824 119.950 -0.008 0.000 2.506 109 F HA 0.242 4.769 4.527 -0.000 0.000 0.351 109 F C 0.041 175.727 175.800 -0.189 0.000 1.136 109 F CA 0.000 57.777 58.000 -0.371 0.000 1.298 109 F CB 0.207 39.009 39.000 -0.331 0.000 1.145 109 F HN -0.232 nan 8.300 nan 0.000 0.593 110 I N 2.364 122.717 120.570 -0.363 0.000 2.389 110 I HA 0.135 4.305 4.170 -0.000 0.000 0.288 110 I C -0.120 175.626 176.117 -0.618 0.000 0.999 110 I CA -0.646 60.417 61.300 -0.396 0.000 1.129 110 I CB 1.440 39.229 38.000 -0.351 0.000 1.288 110 I HN 0.591 nan 8.210 nan 0.000 0.444 111 N N 4.801 122.860 118.700 -1.068 0.000 2.374 111 N HA 0.013 4.753 4.740 -0.000 0.000 0.269 111 N C 1.119 176.325 175.510 -0.506 0.000 1.310 111 N CA 1.158 53.531 53.050 -1.128 0.000 0.877 111 N CB 0.414 38.065 38.487 -1.393 0.000 1.096 111 N HN 1.018 nan 8.380 nan 0.000 0.484 112 G N 1.712 110.310 108.800 -0.336 0.000 2.176 112 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.253 112 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.253 112 G C 0.933 175.688 174.900 -0.243 0.000 0.979 112 G CA 0.588 45.558 45.100 -0.217 0.000 0.641 112 G HN 0.760 nan 8.290 nan 0.000 0.530 113 S N 0.150 115.631 115.700 -0.366 0.000 2.423 113 S HA -0.005 4.465 4.470 -0.000 0.000 0.231 113 S C 1.390 175.784 174.600 -0.343 0.000 1.014 113 S CA 1.404 59.399 58.200 -0.342 0.000 0.965 113 S CB -0.223 62.563 63.200 -0.689 0.000 0.785 113 S HN 1.680 nan 8.310 nan 0.000 0.495 114 N N 0.432 118.829 118.700 -0.505 0.000 2.878 114 N HA -0.119 4.621 4.740 -0.000 0.000 0.247 114 N C -0.448 174.641 175.510 -0.703 0.000 1.021 114 N CA 1.450 54.152 53.050 -0.580 0.000 0.873 114 N CB -1.842 36.415 38.487 -0.382 0.000 1.128 114 N HN 0.884 nan 8.380 nan 0.000 0.571 115 W N -0.779 120.166 121.300 -0.591 0.000 2.689 115 W HA 0.704 5.364 4.660 -0.000 0.000 0.340 115 W C 0.113 176.505 176.519 -0.213 0.000 1.060 115 W CA -0.663 56.389 57.345 -0.488 0.000 1.218 115 W CB 0.617 29.849 29.460 -0.378 0.000 1.410 115 W HN -0.076 nan 8.180 nan 0.000 0.528 116 E N 1.355 121.685 120.200 0.217 0.000 2.562 116 E HA 0.348 4.698 4.350 -0.000 0.000 0.214 116 E C 0.569 177.420 176.600 0.419 0.000 0.979 116 E CA 0.057 56.548 56.400 0.150 0.000 1.002 116 E CB 1.455 31.153 29.700 -0.003 0.000 1.048 116 E HN 0.643 nan 8.360 nan 0.000 0.488 117 G N 0.096 109.213 108.800 0.528 0.000 2.600 117 G HA2 0.611 4.571 3.960 -0.000 0.000 0.293 117 G HA3 0.611 4.571 3.960 -0.000 0.000 0.293 117 G C -1.781 173.270 174.900 0.252 0.000 1.408 117 G CA -0.709 44.617 45.100 0.377 0.000 0.782 117 G HN 0.065 nan 8.290 nan 0.000 0.482 118 I N -0.499 120.183 120.570 0.186 0.000 2.647 118 I HA 0.697 4.867 4.170 -0.000 0.000 0.295 118 I C -1.645 174.599 176.117 0.212 0.000 1.078 118 I CA -1.264 60.090 61.300 0.091 0.000 1.048 118 I CB 2.168 40.294 38.000 0.210 0.000 1.239 118 I HN 0.465 nan 8.210 nan 0.000 0.421 119 L N 7.586 128.854 121.223 0.076 0.000 2.301 119 L HA 0.632 4.972 4.340 -0.000 0.000 0.278 119 L C 0.024 176.896 176.870 0.002 0.000 1.022 119 L CA -0.046 54.806 54.840 0.021 0.000 0.854 119 L CB 0.909 42.825 42.059 -0.239 0.000 1.226 119 L HN 0.648 nan 8.230 nan 0.000 0.429 120 G N 5.073 113.941 108.800 0.113 0.000 2.360 120 G HA2 0.353 4.313 3.960 -0.000 0.000 0.279 120 G HA3 0.353 4.313 3.960 -0.000 0.000 0.279 120 G C 0.458 175.374 174.900 0.026 0.000 1.189 120 G CA -0.375 44.782 45.100 0.097 0.000 0.941 120 G HN 0.735 nan 8.290 nan 0.000 0.445 121 L N 1.973 123.168 121.223 -0.046 0.000 2.607 121 L HA 0.260 4.600 4.340 -0.000 0.000 0.228 121 L C 1.845 178.696 176.870 -0.031 0.000 1.123 121 L CA -0.137 54.633 54.840 -0.116 0.000 0.890 121 L CB -0.071 41.742 42.059 -0.409 0.000 1.103 121 L HN 0.587 nan 8.230 nan 0.000 0.468 122 A N -0.926 121.845 122.820 -0.082 0.000 2.275 122 A HA 0.433 4.753 4.320 -0.000 0.000 0.282 122 A C -0.653 176.720 177.584 -0.352 0.000 1.275 122 A CA -0.241 51.569 52.037 -0.379 0.000 0.842 122 A CB 0.056 18.907 19.000 -0.249 0.000 1.280 122 A HN 0.094 nan 8.150 nan 0.000 0.508 123 Y N -1.395 118.795 120.300 -0.183 0.000 2.298 123 Y HA 0.385 4.935 4.550 -0.000 0.000 0.329 123 Y C 1.695 177.578 175.900 -0.028 0.000 1.293 123 Y CA 0.278 58.339 58.100 -0.065 0.000 1.388 123 Y CB 0.735 39.163 38.460 -0.052 0.000 1.309 123 Y HN 0.674 nan 8.280 nan 0.000 0.544 124 A N 0.816 123.760 122.820 0.206 0.000 1.978 124 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 124 A C 2.012 179.644 177.584 0.080 0.000 1.170 124 A CA 1.961 54.067 52.037 0.115 0.000 0.636 124 A CB -0.835 18.228 19.000 0.105 0.000 0.810 124 A HN 0.968 nan 8.150 nan 0.000 0.448 125 E N 0.269 120.527 120.200 0.096 0.000 2.171 125 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 125 E C 1.544 178.175 176.600 0.051 0.000 0.997 125 E CA 1.656 58.099 56.400 0.071 0.000 0.810 125 E CB -0.306 29.449 29.700 0.092 0.000 0.738 125 E HN 0.837 nan 8.360 nan 0.000 0.467 126 I N -2.479 118.092 120.570 0.002 0.000 3.904 126 I HA 0.408 4.578 4.170 -0.000 0.000 0.333 126 I C 0.550 176.615 176.117 -0.086 0.000 1.361 126 I CA -0.561 60.683 61.300 -0.093 0.000 1.116 126 I CB 0.342 38.132 38.000 -0.350 0.000 1.028 126 I HN -0.052 nan 8.210 nan 0.000 0.398 127 A N 1.920 124.724 122.820 -0.027 0.000 2.386 127 A HA 0.592 4.912 4.320 -0.000 0.000 0.248 127 A C 0.130 177.697 177.584 -0.028 0.000 1.082 127 A CA -0.318 51.713 52.037 -0.010 0.000 0.789 127 A CB 0.424 19.450 19.000 0.042 0.000 1.025 127 A HN 0.345 nan 8.150 nan 0.000 0.490 128 R N 1.150 121.625 120.500 -0.042 0.000 2.604 128 R HA 0.381 4.721 4.340 -0.000 0.000 0.287 128 R C -2.293 174.015 176.300 0.014 0.000 0.970 128 R CA -2.214 53.852 56.100 -0.056 0.000 0.946 128 R CB 0.634 30.832 30.300 -0.169 0.000 1.127 128 R HN 0.396 nan 8.270 nan 0.000 0.473 129 P HA -0.079 nan 4.420 nan 0.000 0.221 129 P C -0.650 176.655 177.300 0.009 0.000 1.150 129 P CA 1.131 64.239 63.100 0.014 0.000 0.800 129 P CB 0.372 32.092 31.700 0.034 0.000 0.787 130 D N -3.810 116.601 120.400 0.017 0.000 2.692 130 D HA 0.071 4.711 4.640 -0.000 0.000 0.303 130 D C -0.331 175.985 176.300 0.025 0.000 1.278 130 D CA -0.682 53.328 54.000 0.017 0.000 0.852 130 D CB -0.374 40.437 40.800 0.018 0.000 1.375 130 D HN -0.260 nan 8.370 nan 0.000 0.453 131 D N -0.833 119.582 120.400 0.025 0.000 2.392 131 D HA -0.107 4.533 4.640 -0.000 0.000 0.228 131 D C 1.242 177.565 176.300 0.038 0.000 1.003 131 D CA 0.989 55.009 54.000 0.034 0.000 0.917 131 D CB -0.398 40.421 40.800 0.030 0.000 0.890 131 D HN 0.293 nan 8.370 nan 0.000 0.532 132 S N -0.755 114.966 115.700 0.034 0.000 2.562 132 S HA 0.010 4.480 4.470 -0.000 0.000 0.221 132 S C 0.789 175.416 174.600 0.045 0.000 0.975 132 S CA -0.613 57.608 58.200 0.035 0.000 0.918 132 S CB -0.457 62.760 63.200 0.028 0.000 0.772 132 S HN 0.233 nan 8.310 nan 0.000 0.531 133 L N 3.215 124.471 121.223 0.054 0.000 2.334 133 L HA 0.377 4.717 4.340 -0.000 0.000 0.286 133 L C 0.174 177.093 176.870 0.081 0.000 1.108 133 L CA -0.214 54.668 54.840 0.071 0.000 0.875 133 L CB 0.229 42.338 42.059 0.083 0.000 1.246 133 L HN 0.252 nan 8.230 nan 0.000 0.439 134 E N 6.391 126.635 120.200 0.073 0.000 2.493 134 E HA 0.053 4.403 4.350 -0.000 0.000 0.255 134 E C -2.141 174.519 176.600 0.099 0.000 0.999 134 E CA -1.306 55.138 56.400 0.072 0.000 0.934 134 E CB 0.544 30.270 29.700 0.044 0.000 0.940 134 E HN 0.427 nan 8.360 nan 0.000 0.473 135 P HA -0.023 nan 4.420 nan 0.000 0.272 135 P C -0.049 177.334 177.300 0.139 0.000 1.230 135 P CA -0.233 62.956 63.100 0.148 0.000 0.788 135 P CB 0.399 32.176 31.700 0.129 0.000 0.949 136 F N 1.386 121.355 119.950 0.032 0.000 2.091 136 F HA -0.233 4.294 4.527 -0.000 0.000 0.299 136 F C 1.997 177.759 175.800 -0.063 0.000 1.103 136 F CA 1.580 59.541 58.000 -0.065 0.000 1.228 136 F CB -0.719 38.127 39.000 -0.255 0.000 0.984 136 F HN 0.190 nan 8.300 nan 0.000 0.477 137 F N 1.379 121.283 119.950 -0.077 0.000 2.171 137 F HA -0.195 4.332 4.527 -0.000 0.000 0.300 137 F C 2.042 177.739 175.800 -0.170 0.000 1.090 137 F CA 2.112 60.019 58.000 -0.155 0.000 1.293 137 F CB -0.675 38.302 39.000 -0.038 0.000 1.013 137 F HN -0.000 nan 8.300 nan 0.000 0.486 138 D N -1.003 119.401 120.400 0.008 0.000 2.144 138 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 138 D C 2.445 178.647 176.300 -0.164 0.000 0.984 138 D CA 1.507 55.498 54.000 -0.016 0.000 0.834 138 D CB -0.428 40.408 40.800 0.059 0.000 0.955 138 D HN 0.139 nan 8.370 nan 0.000 0.465 139 S N 0.125 115.677 115.700 -0.246 0.000 2.368 139 S HA -0.095 4.375 4.470 -0.000 0.000 0.224 139 S C 1.766 176.114 174.600 -0.420 0.000 1.029 139 S CA 0.307 58.334 58.200 -0.289 0.000 0.988 139 S CB -0.270 62.761 63.200 -0.282 0.000 0.838 139 S HN 0.177 nan 8.310 nan 0.000 0.462 140 L N 1.941 122.751 121.223 -0.689 0.000 1.989 140 L HA -0.065 4.275 4.340 -0.000 0.000 0.211 140 L C 2.195 178.772 176.870 -0.488 0.000 1.071 140 L CA 1.715 56.137 54.840 -0.697 0.000 0.749 140 L CB -0.794 40.679 42.059 -0.977 0.000 0.890 140 L HN 0.129 nan 8.230 nan 0.000 0.431 141 V N -0.288 119.332 119.914 -0.490 0.000 2.343 141 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 141 V C 2.604 178.581 176.094 -0.195 0.000 1.051 141 V CA 2.088 64.209 62.300 -0.298 0.000 1.036 141 V CB -0.669 31.043 31.823 -0.186 0.000 0.654 141 V HN 0.469 nan 8.190 nan 0.000 0.451 142 K N -0.447 119.845 120.400 -0.180 0.000 2.148 142 K HA -0.155 4.165 4.320 -0.000 0.000 0.204 142 K C 2.015 178.522 176.600 -0.155 0.000 1.050 142 K CA 1.297 57.506 56.287 -0.132 0.000 0.942 142 K CB -0.097 32.342 32.500 -0.103 0.000 0.724 142 K HN 0.539 nan 8.250 nan 0.000 0.446 143 Q N -0.067 119.616 119.800 -0.195 0.000 2.319 143 Q HA 0.017 4.357 4.340 -0.000 0.000 0.202 143 Q C 0.283 176.147 176.000 -0.226 0.000 0.896 143 Q CA 0.370 56.061 55.803 -0.186 0.000 0.942 143 Q CB 1.048 29.684 28.738 -0.170 0.000 1.083 143 Q HN 0.295 nan 8.270 nan 0.000 0.510 144 T N -4.248 110.146 114.554 -0.266 0.000 2.696 144 T HA 0.253 4.603 4.350 -0.000 0.000 0.291 144 T C 0.210 174.691 174.700 -0.364 0.000 1.095 144 T CA -0.800 61.117 62.100 -0.305 0.000 1.026 144 T CB 0.944 69.698 68.868 -0.190 0.000 1.390 144 T HN 0.008 nan 8.240 nan 0.000 0.513 145 H N -0.615 118.426 119.070 -0.049 0.000 2.529 145 H HA 0.340 4.896 4.556 -0.000 0.000 0.277 145 H C 0.424 175.737 175.328 -0.024 0.000 1.004 145 H CA -0.041 55.989 56.048 -0.030 0.000 1.167 145 H CB 0.001 29.754 29.762 -0.014 0.000 1.445 145 H HN 0.281 nan 8.280 nan 0.000 0.554 146 V N 4.272 124.194 119.914 0.013 0.000 2.557 146 V HA -0.037 4.083 4.120 -0.000 0.000 0.301 146 V C -1.738 174.375 176.094 0.032 0.000 1.026 146 V CA -0.727 61.578 62.300 0.009 0.000 1.137 146 V CB 0.344 32.114 31.823 -0.087 0.000 0.917 146 V HN 0.126 nan 8.190 nan 0.000 0.484 147 P HA 0.064 nan 4.420 nan 0.000 0.269 147 P C 0.029 177.450 177.300 0.202 0.000 1.215 147 P CA -0.320 62.855 63.100 0.125 0.000 0.780 147 P CB 0.319 32.096 31.700 0.128 0.000 0.898 148 N N 2.465 121.292 118.700 0.213 0.000 3.193 148 N HA 0.151 4.891 4.740 -0.000 0.000 0.312 148 N C -0.743 174.994 175.510 0.377 0.000 1.261 148 N CA 0.178 53.437 53.050 0.349 0.000 1.208 148 N CB -1.319 37.318 38.487 0.250 0.000 1.471 148 N HN 0.324 nan 8.380 nan 0.000 0.548 149 L N -1.392 120.105 121.223 0.455 0.000 2.866 149 L HA 0.673 5.013 4.340 -0.000 0.000 0.262 149 L C -1.755 175.288 176.870 0.289 0.000 0.986 149 L CA -1.160 53.808 54.840 0.214 0.000 0.925 149 L CB 1.075 43.181 42.059 0.079 0.000 1.484 149 L HN -0.010 nan 8.230 nan 0.000 0.414 150 F N -0.047 119.867 119.950 -0.060 0.000 2.662 150 F HA 0.950 5.477 4.527 -0.000 0.000 0.312 150 F C -0.825 174.949 175.800 -0.043 0.000 1.113 150 F CA -0.283 57.688 58.000 -0.048 0.000 0.951 150 F CB 1.568 40.439 39.000 -0.215 0.000 1.344 150 F HN 0.738 nan 8.300 nan 0.000 0.462 151 S N 1.452 117.236 115.700 0.140 0.000 2.569 151 S HA 0.875 5.345 4.470 -0.000 0.000 0.280 151 S C -1.611 173.074 174.600 0.141 0.000 1.111 151 S CA -0.848 57.309 58.200 -0.071 0.000 0.887 151 S CB 1.957 64.964 63.200 -0.322 0.000 1.095 151 S HN 0.872 nan 8.310 nan 0.000 0.476 152 L N 1.544 122.809 121.223 0.071 0.000 2.410 152 L HA 0.580 4.920 4.340 -0.000 0.000 0.270 152 L C -0.600 176.384 176.870 0.191 0.000 0.983 152 L CA -0.413 54.519 54.840 0.153 0.000 0.822 152 L CB 2.188 44.335 42.059 0.146 0.000 1.285 152 L HN 0.809 nan 8.230 nan 0.000 0.409 153 Q N 4.691 124.601 119.800 0.183 0.000 2.454 153 Q HA 0.474 4.814 4.340 -0.000 0.000 0.255 153 Q C -1.685 174.268 176.000 -0.080 0.000 1.034 153 Q CA -0.535 55.350 55.803 0.137 0.000 0.736 153 Q CB 1.250 30.044 28.738 0.094 0.000 1.210 153 Q HN 0.619 nan 8.270 nan 0.000 0.500 154 L N 2.963 124.067 121.223 -0.197 0.000 2.276 154 L HA 0.469 4.809 4.340 -0.000 0.000 0.286 154 L C -0.542 176.134 176.870 -0.323 0.000 1.061 154 L CA -0.803 53.704 54.840 -0.555 0.000 0.807 154 L CB 1.188 42.756 42.059 -0.817 0.000 1.177 154 L HN 0.636 nan 8.230 nan 0.000 0.429 155 c N 3.117 121.577 118.600 -0.234 0.000 2.271 155 c HA 0.566 5.136 4.570 -0.000 0.000 0.323 155 c C 0.974 175.106 174.090 0.070 0.000 1.245 155 c CA -0.874 55.428 56.329 -0.046 0.000 1.548 155 c CB 0.247 42.740 42.510 -0.029 0.000 2.214 155 c HN 0.928 nan 8.230 nan 0.000 0.477 156 G N 1.696 110.519 108.800 0.039 0.000 2.420 156 G HA2 0.489 4.449 3.960 -0.000 0.000 0.284 156 G HA3 0.489 4.449 3.960 -0.000 0.000 0.284 156 G C 0.699 175.532 174.900 -0.112 0.000 1.177 156 G CA 0.158 45.272 45.100 0.023 0.000 0.841 156 G HN 0.952 nan 8.290 nan 0.000 0.527 157 A N 0.688 123.353 122.820 -0.257 0.000 2.021 157 A HA 0.434 4.754 4.320 -0.000 0.000 0.216 157 A C 2.130 179.392 177.584 -0.537 0.000 1.163 157 A CA 1.551 53.254 52.037 -0.557 0.000 0.676 157 A CB -0.455 17.903 19.000 -1.070 0.000 0.818 157 A HN 2.287 nan 8.150 nan 0.000 0.453 158 G N -2.108 106.518 108.800 -0.290 0.000 2.176 158 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.253 158 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.253 158 G C 0.119 175.116 174.900 0.161 0.000 0.979 158 G CA 0.550 45.633 45.100 -0.028 0.000 0.641 158 G HN 1.491 nan 8.290 nan 0.000 0.530 159 F N -2.083 117.918 119.950 0.084 0.000 2.686 159 F HA 0.790 5.317 4.527 -0.000 0.000 0.311 159 F C -2.931 172.878 175.800 0.015 0.000 1.128 159 F CA -3.023 55.009 58.000 0.052 0.000 0.946 159 F CB 0.348 39.374 39.000 0.043 0.000 1.336 159 F HN -0.047 nan 8.300 nan 0.000 0.457 160 P HA 0.352 nan 4.420 nan 0.000 0.271 160 P C -1.072 176.331 177.300 0.173 0.000 1.216 160 P CA -0.059 63.099 63.100 0.097 0.000 0.776 160 P CB 0.789 32.527 31.700 0.063 0.000 0.881 161 L N 3.104 124.361 121.223 0.056 0.000 2.307 161 L HA 0.413 4.753 4.340 -0.000 0.000 0.284 161 L C 1.161 178.062 176.870 0.052 0.000 1.023 161 L CA -0.731 54.154 54.840 0.076 0.000 0.810 161 L CB 1.117 43.172 42.059 -0.007 0.000 1.231 161 L HN 0.467 nan 8.230 nan 0.000 0.423 162 N N 1.218 119.957 118.700 0.064 0.000 2.364 162 N HA 0.034 4.774 4.740 -0.000 0.000 0.264 162 N C 0.510 176.035 175.510 0.025 0.000 1.263 162 N CA -0.745 52.326 53.050 0.036 0.000 0.959 162 N CB 0.813 39.320 38.487 0.034 0.000 1.204 162 N HN 0.510 nan 8.380 nan 0.000 0.550 163 Q N 0.541 120.350 119.800 0.016 0.000 2.061 163 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 163 Q C 2.065 178.079 176.000 0.024 0.000 0.984 163 Q CA 2.734 58.546 55.803 0.015 0.000 0.846 163 Q CB -0.612 28.134 28.738 0.012 0.000 0.902 163 Q HN 0.794 nan 8.270 nan 0.000 0.421 164 S N -0.745 114.971 115.700 0.026 0.000 2.402 164 S HA -0.115 4.355 4.470 -0.000 0.000 0.229 164 S C 1.764 176.384 174.600 0.033 0.000 1.021 164 S CA 1.061 59.278 58.200 0.029 0.000 0.974 164 S CB -0.357 62.858 63.200 0.026 0.000 0.800 164 S HN 0.493 nan 8.310 nan 0.000 0.484 165 E N 1.083 121.307 120.200 0.040 0.000 2.072 165 E HA -0.053 4.297 4.350 -0.000 0.000 0.191 165 E C 2.034 178.654 176.600 0.032 0.000 0.985 165 E CA 1.267 57.696 56.400 0.050 0.000 0.801 165 E CB -0.343 29.409 29.700 0.086 0.000 0.750 165 E HN 0.424 nan 8.360 nan 0.000 0.452 166 V N 1.134 121.062 119.914 0.023 0.000 2.759 166 V HA -0.196 3.924 4.120 -0.000 0.000 0.256 166 V C 2.043 178.152 176.094 0.026 0.000 1.080 166 V CA 1.269 63.573 62.300 0.007 0.000 1.101 166 V CB -0.356 31.469 31.823 0.003 0.000 0.698 166 V HN 0.240 nan 8.190 nan 0.000 0.477 167 L N -0.228 121.019 121.223 0.040 0.000 2.253 167 L HA 0.184 4.524 4.340 -0.000 0.000 0.205 167 L C 2.473 179.366 176.870 0.038 0.000 1.078 167 L CA 1.113 55.989 54.840 0.060 0.000 0.805 167 L CB -0.443 41.651 42.059 0.057 0.000 0.963 167 L HN 0.288 nan 8.230 nan 0.000 0.459 168 A N -0.591 122.245 122.820 0.027 0.000 2.178 168 A HA 0.077 4.397 4.320 -0.000 0.000 0.211 168 A C 1.302 178.891 177.584 0.009 0.000 1.157 168 A CA 0.489 52.538 52.037 0.019 0.000 0.780 168 A CB -0.209 18.804 19.000 0.022 0.000 0.828 168 A HN 0.401 nan 8.150 nan 0.000 0.476 169 S N -1.116 114.589 115.700 0.007 0.000 2.693 169 S HA 0.596 5.066 4.470 -0.000 0.000 0.276 169 S C -0.413 174.174 174.600 -0.022 0.000 1.192 169 S CA -0.590 57.610 58.200 0.001 0.000 0.994 169 S CB 1.446 64.654 63.200 0.014 0.000 1.012 169 S HN 0.175 nan 8.310 nan 0.000 0.550 170 V N 1.795 121.695 119.914 -0.024 0.000 2.347 170 V HA 0.511 4.631 4.120 -0.000 0.000 0.280 170 V C 1.271 177.356 176.094 -0.015 0.000 1.021 170 V CA -0.161 62.117 62.300 -0.038 0.000 0.847 170 V CB 0.865 32.662 31.823 -0.044 0.000 0.990 170 V HN 1.177 nan 8.190 nan 0.000 0.444 171 G N 3.124 111.924 108.800 0.000 0.000 3.026 171 G HA2 0.498 4.458 3.960 -0.000 0.000 0.208 171 G HA3 0.498 4.458 3.960 -0.000 0.000 0.208 171 G C 0.638 175.581 174.900 0.072 0.000 1.169 171 G CA 0.676 45.848 45.100 0.120 0.000 0.788 171 G HN 1.284 nan 8.290 nan 0.000 0.533 172 G N -1.287 107.504 108.800 -0.015 0.000 2.302 172 G HA2 0.351 4.311 3.960 -0.000 0.000 0.276 172 G HA3 0.351 4.311 3.960 -0.000 0.000 0.276 172 G C -1.028 173.848 174.900 -0.040 0.000 1.316 172 G CA -0.185 44.879 45.100 -0.060 0.000 0.988 172 G HN 0.738 nan 8.290 nan 0.000 0.479 173 S N -0.500 115.186 115.700 -0.023 0.000 2.541 173 S HA 0.705 5.175 4.470 -0.000 0.000 0.280 173 S C -0.461 174.180 174.600 0.068 0.000 1.112 173 S CA -0.420 57.794 58.200 0.023 0.000 0.925 173 S CB 1.791 65.014 63.200 0.038 0.000 1.067 173 S HN 0.959 nan 8.310 nan 0.000 0.479 174 M N 4.356 123.999 119.600 0.072 0.000 2.043 174 M HA 0.488 4.968 4.480 -0.000 0.000 0.322 174 M C -1.732 174.655 176.300 0.144 0.000 0.962 174 M CA -0.677 54.684 55.300 0.103 0.000 0.927 174 M CB 0.218 32.840 32.600 0.037 0.000 1.466 174 M HN 0.463 nan 8.290 nan 0.000 0.412 175 I N 6.829 127.522 120.570 0.205 0.000 2.301 175 I HA 0.270 4.440 4.170 -0.000 0.000 0.292 175 I C -0.237 176.027 176.117 0.245 0.000 1.046 175 I CA -0.360 61.065 61.300 0.209 0.000 1.282 175 I CB 0.402 38.547 38.000 0.242 0.000 1.409 175 I HN 0.732 nan 8.210 nan 0.000 0.484 176 I N 5.528 126.235 120.570 0.229 0.000 2.312 176 I HA 0.396 4.566 4.170 -0.000 0.000 0.291 176 I C 1.144 177.424 176.117 0.271 0.000 1.031 176 I CA 0.120 61.600 61.300 0.300 0.000 1.293 176 I CB 1.024 39.169 38.000 0.243 0.000 1.403 176 I HN 0.870 nan 8.210 nan 0.000 0.484 177 G N 3.857 112.863 108.800 0.343 0.000 2.176 177 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.232 177 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.232 177 G C 0.197 175.214 174.900 0.195 0.000 0.986 177 G CA -0.267 44.984 45.100 0.253 0.000 0.643 177 G HN 1.142 nan 8.290 nan 0.000 0.522 178 G N -1.220 107.697 108.800 0.195 0.000 2.490 178 G HA2 0.627 4.587 3.960 -0.000 0.000 0.308 178 G HA3 0.627 4.587 3.960 -0.000 0.000 0.308 178 G C -1.642 173.364 174.900 0.176 0.000 1.286 178 G CA -0.378 44.822 45.100 0.166 0.000 0.825 178 G HN 0.776 nan 8.290 nan 0.000 0.479 179 I N 0.971 121.666 120.570 0.209 0.000 2.466 179 I HA 0.338 4.508 4.170 -0.000 0.000 0.289 179 I C -1.412 174.922 176.117 0.362 0.000 1.026 179 I CA -0.643 60.828 61.300 0.284 0.000 1.078 179 I CB 2.346 40.467 38.000 0.202 0.000 1.249 179 I HN 0.366 nan 8.210 nan 0.000 0.429 180 D N 5.412 126.042 120.400 0.383 0.000 2.349 180 D HA 0.213 4.853 4.640 -0.000 0.000 0.232 180 D C 0.879 177.294 176.300 0.191 0.000 1.071 180 D CA -0.276 53.877 54.000 0.256 0.000 0.832 180 D CB 0.978 41.853 40.800 0.126 0.000 1.086 180 D HN 0.595 nan 8.370 nan 0.000 0.504 181 H N 1.579 120.684 119.070 0.059 0.000 2.489 181 H HA -0.104 4.452 4.556 -0.000 0.000 0.293 181 H C 1.813 176.934 175.328 -0.345 0.000 1.066 181 H CA 1.158 57.109 56.048 -0.161 0.000 1.305 181 H CB 0.507 30.184 29.762 -0.142 0.000 1.386 181 H HN 0.376 nan 8.280 nan 0.000 0.551 182 S N 0.717 116.357 115.700 -0.101 0.000 2.555 182 S HA -0.002 4.468 4.470 -0.000 0.000 0.230 182 S C 1.826 176.305 174.600 -0.202 0.000 0.978 182 S CA 0.197 58.310 58.200 -0.145 0.000 0.934 182 S CB -0.393 62.759 63.200 -0.080 0.000 0.766 182 S HN 0.310 nan 8.310 nan 0.000 0.533 183 L N 0.245 121.294 121.223 -0.290 0.000 2.558 183 L HA 0.310 4.650 4.340 -0.000 0.000 0.225 183 L C 0.482 177.198 176.870 -0.256 0.000 1.128 183 L CA -0.156 54.455 54.840 -0.381 0.000 0.868 183 L CB -0.414 41.173 42.059 -0.786 0.000 1.006 183 L HN 0.584 nan 8.230 nan 0.000 0.454 184 Y N -2.331 117.798 120.300 -0.286 0.000 2.689 184 Y HA 0.706 5.256 4.550 -0.000 0.000 0.333 184 Y C -0.402 175.474 175.900 -0.041 0.000 1.190 184 Y CA -1.503 56.531 58.100 -0.110 0.000 1.063 184 Y CB 0.966 39.425 38.460 -0.002 0.000 1.294 184 Y HN -0.114 nan 8.280 nan 0.000 0.466 185 T N -1.200 113.435 114.554 0.136 0.000 2.906 185 T HA 0.785 5.135 4.350 -0.000 0.000 0.295 185 T C 0.299 175.114 174.700 0.192 0.000 1.075 185 T CA -0.313 61.809 62.100 0.038 0.000 1.005 185 T CB 1.104 69.990 68.868 0.030 0.000 1.136 185 T HN 2.322 nan 8.240 nan 0.000 0.498 186 G N 1.537 110.413 108.800 0.126 0.000 2.645 186 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.239 186 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.239 186 G C -0.242 174.802 174.900 0.239 0.000 1.331 186 G CA -0.328 44.872 45.100 0.167 0.000 0.890 186 G HN 1.419 nan 8.290 nan 0.000 0.572 187 S N -0.639 115.181 115.700 0.200 0.000 2.654 187 S HA 0.686 5.156 4.470 -0.000 0.000 0.283 187 S C 0.308 174.922 174.600 0.024 0.000 1.180 187 S CA -0.633 57.624 58.200 0.096 0.000 1.021 187 S CB 1.675 64.846 63.200 -0.050 0.000 1.018 187 S HN 0.674 nan 8.310 nan 0.000 0.532 188 L N 1.742 122.846 121.223 -0.198 0.000 2.276 188 L HA 0.407 4.747 4.340 -0.000 0.000 0.286 188 L C -1.214 175.330 176.870 -0.543 0.000 1.061 188 L CA -0.272 54.319 54.840 -0.415 0.000 0.807 188 L CB 0.591 42.311 42.059 -0.565 0.000 1.177 188 L HN 0.666 nan 8.230 nan 0.000 0.429 189 W N 2.798 123.695 121.300 -0.671 0.000 2.587 189 W HA 0.456 5.116 4.660 -0.000 0.000 0.324 189 W C -0.754 175.165 176.519 -1.001 0.000 1.040 189 W CA -0.254 56.566 57.345 -0.875 0.000 1.222 189 W CB 1.216 29.841 29.460 -1.392 0.000 1.381 189 W HN 0.204 nan 8.180 nan 0.000 0.483 190 Y N 1.426 121.536 120.300 -0.317 0.000 2.387 190 Y HA 0.562 5.112 4.550 -0.000 0.000 0.336 190 Y C 0.566 176.615 175.900 0.249 0.000 1.067 190 Y CA -0.850 57.215 58.100 -0.057 0.000 1.114 190 Y CB 2.085 40.498 38.460 -0.079 0.000 1.208 190 Y HN 0.157 nan 8.280 nan 0.000 0.458 191 T N 4.331 119.193 114.554 0.514 0.000 2.863 191 T HA 0.531 4.881 4.350 -0.000 0.000 0.285 191 T C -2.895 171.984 174.700 0.298 0.000 1.009 191 T CA -2.667 59.718 62.100 0.475 0.000 0.989 191 T CB 1.114 70.248 68.868 0.443 0.000 1.004 191 T HN 0.247 nan 8.240 nan 0.000 0.455 192 P HA 0.322 nan 4.420 nan 0.000 0.271 192 P C -0.493 176.918 177.300 0.185 0.000 1.218 192 P CA -0.304 62.901 63.100 0.176 0.000 0.780 192 P CB 0.333 32.117 31.700 0.140 0.000 0.901 193 I N 3.323 124.004 120.570 0.185 0.000 2.396 193 I HA 0.144 4.314 4.170 -0.000 0.000 0.289 193 I C 1.999 178.222 176.117 0.178 0.000 1.056 193 I CA -0.063 61.374 61.300 0.228 0.000 1.365 193 I CB 0.650 38.817 38.000 0.278 0.000 1.407 193 I HN 0.450 nan 8.210 nan 0.000 0.509 194 R N 5.572 126.191 120.500 0.200 0.000 2.075 194 R HA 0.045 4.385 4.340 -0.000 0.000 0.232 194 R C 0.777 177.144 176.300 0.110 0.000 1.126 194 R CA 1.214 57.408 56.100 0.157 0.000 0.963 194 R CB 0.337 30.751 30.300 0.191 0.000 0.858 194 R HN 0.573 nan 8.270 nan 0.000 0.435 195 R N 0.227 120.824 120.500 0.161 0.000 2.604 195 R HA 0.103 4.443 4.340 -0.000 0.000 0.270 195 R C -1.580 174.788 176.300 0.113 0.000 1.052 195 R CA -0.440 55.682 56.100 0.036 0.000 0.902 195 R CB 1.724 31.932 30.300 -0.154 0.000 1.233 195 R HN 0.090 nan 8.270 nan 0.000 0.455 196 E N 4.558 124.658 120.200 -0.166 0.000 1.856 196 E HA 0.077 4.427 4.350 -0.000 0.000 0.263 196 E C -0.077 176.440 176.600 -0.139 0.000 1.137 196 E CA -0.002 56.047 56.400 -0.585 0.000 1.007 196 E CB 0.256 29.242 29.700 -1.191 0.000 1.117 196 E HN 0.450 nan 8.360 nan 0.000 0.438 197 W N 1.728 122.982 121.300 -0.077 0.000 4.502 197 W HA 0.198 4.858 4.660 -0.000 0.000 0.167 197 W C -0.296 176.194 176.519 -0.048 0.000 3.423 197 W CA -0.262 57.054 57.345 -0.049 0.000 1.274 197 W CB -0.538 28.881 29.460 -0.069 0.000 2.073 197 W HN 0.041 nan 8.180 nan 0.000 0.398 198 Y N 0.430 120.550 120.300 -0.299 0.000 2.344 198 Y HA 0.326 4.876 4.550 -0.000 0.000 0.330 198 Y C -0.135 175.719 175.900 -0.076 0.000 1.330 198 Y CA -0.495 57.414 58.100 -0.318 0.000 1.479 198 Y CB 0.100 38.219 38.460 -0.568 0.000 1.428 198 Y HN -0.147 nan 8.280 nan 0.000 0.544 199 Y N 1.044 121.552 120.300 0.346 0.000 2.632 199 Y HA 0.104 4.654 4.550 -0.000 0.000 0.336 199 Y C 0.360 176.426 175.900 0.278 0.000 1.237 199 Y CA -0.300 58.023 58.100 0.371 0.000 1.595 199 Y CB -0.195 38.503 38.460 0.396 0.000 1.508 199 Y HN 0.416 nan 8.280 nan 0.000 0.480 200 E N 2.989 123.424 120.200 0.392 0.000 2.283 200 E HA 0.491 4.841 4.350 -0.000 0.000 0.278 200 E C -0.836 175.939 176.600 0.291 0.000 1.027 200 E CA -0.625 55.970 56.400 0.324 0.000 0.843 200 E CB 0.925 30.912 29.700 0.478 0.000 1.062 200 E HN 0.409 nan 8.360 nan 0.000 0.401 201 V N 1.467 121.514 119.914 0.222 0.000 3.156 201 V HA 0.648 4.768 4.120 -0.000 0.000 0.311 201 V C -0.519 175.660 176.094 0.141 0.000 1.208 201 V CA -1.019 61.389 62.300 0.181 0.000 1.063 201 V CB 1.632 33.554 31.823 0.164 0.000 1.098 201 V HN 0.648 nan 8.190 nan 0.000 0.452 202 I N 1.509 122.143 120.570 0.106 0.000 2.447 202 I HA 0.493 4.663 4.170 -0.000 0.000 0.287 202 I C -0.803 175.332 176.117 0.030 0.000 1.023 202 I CA -0.426 60.928 61.300 0.090 0.000 1.083 202 I CB 1.896 39.957 38.000 0.101 0.000 1.245 202 I HN 0.502 nan 8.210 nan 0.000 0.434 203 I N 6.584 127.174 120.570 0.034 0.000 2.365 203 I HA 0.133 4.303 4.170 -0.000 0.000 0.291 203 I C 1.080 177.229 176.117 0.054 0.000 1.004 203 I CA -0.284 60.998 61.300 -0.029 0.000 1.311 203 I CB 1.614 39.577 38.000 -0.061 0.000 1.401 203 I HN 0.486 nan 8.210 nan 0.000 0.491 204 V N 2.736 122.652 119.914 0.004 0.000 3.528 204 V HA 0.434 4.554 4.120 -0.000 0.000 0.294 204 V C 0.413 176.527 176.094 0.034 0.000 1.404 204 V CA -0.031 62.304 62.300 0.057 0.000 1.065 204 V CB -0.190 31.643 31.823 0.017 0.000 0.904 204 V HN 0.894 nan 8.190 nan 0.000 0.435 205 R N -0.472 119.964 120.500 -0.107 0.000 2.728 205 R HA 0.643 4.983 4.340 -0.000 0.000 0.259 205 R C -2.559 173.517 176.300 -0.374 0.000 1.057 205 R CA -0.355 55.606 56.100 -0.230 0.000 0.908 205 R CB 2.423 32.397 30.300 -0.544 0.000 1.259 205 R HN 0.031 nan 8.270 nan 0.000 0.472 206 V N 2.594 122.246 119.914 -0.436 0.000 2.638 206 V HA 0.489 4.609 4.120 -0.000 0.000 0.306 206 V C -0.794 175.216 176.094 -0.141 0.000 1.052 206 V CA -0.714 61.381 62.300 -0.343 0.000 0.885 206 V CB 2.039 33.520 31.823 -0.570 0.000 0.999 206 V HN 0.780 nan 8.190 nan 0.000 0.424 207 E N 4.086 124.255 120.200 -0.051 0.000 2.288 207 E HA 0.621 4.971 4.350 -0.000 0.000 0.268 207 E C -1.479 175.117 176.600 -0.006 0.000 0.885 207 E CA -0.852 55.540 56.400 -0.014 0.000 0.767 207 E CB 2.624 32.349 29.700 0.040 0.000 1.220 207 E HN 0.366 nan 8.360 nan 0.000 0.427 208 I N 2.551 123.125 120.570 0.007 0.000 2.411 208 I HA 0.183 4.353 4.170 -0.000 0.000 0.284 208 I C 0.185 176.331 176.117 0.049 0.000 1.012 208 I CA -0.381 60.938 61.300 0.032 0.000 1.119 208 I CB 0.543 38.557 38.000 0.022 0.000 1.261 208 I HN 0.762 nan 8.210 nan 0.000 0.448 209 N N 4.724 123.469 118.700 0.075 0.000 2.716 209 N HA -0.248 4.492 4.740 -0.000 0.000 0.250 209 N C 1.189 176.725 175.510 0.044 0.000 1.033 209 N CA 0.635 53.728 53.050 0.072 0.000 0.727 209 N CB -0.352 38.183 38.487 0.080 0.000 0.950 209 N HN 1.149 nan 8.380 nan 0.000 0.541 210 G N -0.256 108.565 108.800 0.035 0.000 2.245 210 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.264 210 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.264 210 G C -0.096 174.806 174.900 0.004 0.000 0.985 210 G CA 0.732 45.845 45.100 0.022 0.000 0.625 210 G HN 0.611 nan 8.290 nan 0.000 0.536 211 Q N 1.041 120.844 119.800 0.004 0.000 2.294 211 Q HA 0.440 4.780 4.340 -0.000 0.000 0.257 211 Q C -0.419 175.569 176.000 -0.021 0.000 0.955 211 Q CA -0.627 55.171 55.803 -0.010 0.000 0.936 211 Q CB 0.600 29.335 28.738 -0.004 0.000 1.188 211 Q HN 0.232 nan 8.270 nan 0.000 0.420 212 D N 3.638 124.015 120.400 -0.038 0.000 2.450 212 D HA -0.082 4.558 4.640 -0.000 0.000 0.247 212 D C 0.636 176.926 176.300 -0.015 0.000 1.162 212 D CA -0.004 53.967 54.000 -0.049 0.000 0.879 212 D CB 0.938 41.696 40.800 -0.070 0.000 1.163 212 D HN 0.606 nan 8.370 nan 0.000 0.472 213 L N 4.182 125.412 121.223 0.011 0.000 2.201 213 L HA 0.003 4.342 4.340 -0.000 0.000 0.212 213 L C 1.374 178.281 176.870 0.062 0.000 1.105 213 L CA 1.154 56.025 54.840 0.050 0.000 0.775 213 L CB -0.808 41.317 42.059 0.110 0.000 0.913 213 L HN 0.772 nan 8.230 nan 0.000 0.440 214 K N -0.148 120.293 120.400 0.069 0.000 3.244 214 K HA -0.226 4.094 4.320 -0.000 0.000 0.270 214 K C -0.352 176.244 176.600 -0.007 0.000 1.016 214 K CA 0.423 56.725 56.287 0.025 0.000 0.754 214 K CB -0.967 31.527 32.500 -0.011 0.000 1.326 214 K HN 0.338 nan 8.250 nan 0.000 0.465 215 M N 0.127 119.713 119.600 -0.024 0.000 2.762 215 M HA 0.215 4.695 4.480 -0.000 0.000 0.306 215 M C 0.247 176.374 176.300 -0.288 0.000 1.223 215 M CA -0.822 54.367 55.300 -0.186 0.000 0.896 215 M CB 0.921 33.346 32.600 -0.290 0.000 1.684 215 M HN 0.093 nan 8.290 nan 0.000 0.491 216 D N 1.110 121.349 120.400 -0.268 0.000 2.450 216 D HA -0.002 4.638 4.640 -0.000 0.000 0.247 216 D C 1.110 177.183 176.300 -0.378 0.000 1.162 216 D CA -0.118 53.746 54.000 -0.226 0.000 0.879 216 D CB 1.082 41.785 40.800 -0.162 0.000 1.163 216 D HN 0.897 nan 8.370 nan 0.000 0.472 217 c N 3.834 122.281 118.600 -0.255 0.000 2.401 217 c HA -0.086 4.484 4.570 -0.000 0.000 0.286 217 c C 2.248 176.254 174.090 -0.140 0.000 1.332 217 c CA 0.146 56.349 56.329 -0.210 0.000 1.795 217 c CB -0.782 41.769 42.510 0.069 0.000 1.922 217 c HN 0.665 nan 8.230 nan 0.000 0.520 218 K N 0.696 121.041 120.400 -0.092 0.000 2.209 218 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 218 K C 2.239 178.835 176.600 -0.006 0.000 1.048 218 K CA 1.456 57.756 56.287 0.023 0.000 0.940 218 K CB -0.103 32.434 32.500 0.060 0.000 0.729 218 K HN 0.557 nan 8.250 nan 0.000 0.451 219 E N -0.273 119.812 120.200 -0.192 0.000 2.153 219 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 219 E C 1.709 178.295 176.600 -0.023 0.000 0.988 219 E CA 1.244 57.539 56.400 -0.174 0.000 0.811 219 E CB -0.162 29.351 29.700 -0.312 0.000 0.746 219 E HN 0.561 nan 8.360 nan 0.000 0.466 220 Y N 0.673 121.003 120.300 0.051 0.000 2.439 220 Y HA -0.019 4.531 4.550 -0.000 0.000 0.292 220 Y C 1.493 177.425 175.900 0.053 0.000 1.130 220 Y CA 0.312 58.437 58.100 0.041 0.000 1.254 220 Y CB 0.182 38.650 38.460 0.014 0.000 1.000 220 Y HN 0.008 nan 8.280 nan 0.000 0.554 221 N N -0.816 118.015 118.700 0.218 0.000 2.282 221 N HA -0.036 4.704 4.740 -0.000 0.000 0.240 221 N C -0.823 174.768 175.510 0.135 0.000 1.182 221 N CA -0.148 53.003 53.050 0.168 0.000 0.874 221 N CB 0.108 38.709 38.487 0.189 0.000 1.126 221 N HN 0.190 nan 8.380 nan 0.000 0.516 222 Y N 2.639 122.905 120.300 -0.056 0.000 2.730 222 Y HA 0.038 4.588 4.550 -0.000 0.000 0.354 222 Y C 0.937 176.663 175.900 -0.290 0.000 1.139 222 Y CA 0.440 58.384 58.100 -0.260 0.000 1.516 222 Y CB -0.368 37.950 38.460 -0.237 0.000 1.204 222 Y HN 0.290 nan 8.280 nan 0.000 0.520 223 D N 1.907 121.859 120.400 -0.747 0.000 2.961 223 D HA -0.193 4.447 4.640 -0.000 0.000 0.242 223 D C -0.987 175.299 176.300 -0.023 0.000 0.826 223 D CA 1.637 55.313 54.000 -0.541 0.000 1.934 223 D CB -1.101 39.343 40.800 -0.593 0.000 1.290 223 D HN 0.691 nan 8.370 nan 0.000 0.633 224 K N -1.144 119.229 120.400 -0.045 0.000 2.711 224 K HA 0.704 5.024 4.320 -0.000 0.000 0.294 224 K C -1.778 174.819 176.600 -0.004 0.000 1.037 224 K CA -0.860 55.468 56.287 0.067 0.000 0.858 224 K CB 1.571 34.111 32.500 0.066 0.000 1.521 224 K HN 0.045 nan 8.250 nan 0.000 0.386 225 S N 0.967 116.691 115.700 0.040 0.000 2.594 225 S HA 0.645 5.115 4.470 -0.000 0.000 0.296 225 S C -0.599 174.017 174.600 0.027 0.000 1.124 225 S CA -0.837 57.376 58.200 0.023 0.000 1.011 225 S CB 0.531 63.768 63.200 0.062 0.000 1.016 225 S HN 0.578 nan 8.310 nan 0.000 0.485 226 I N -0.515 120.047 120.570 -0.012 0.000 3.042 226 I HA 0.817 4.987 4.170 -0.000 0.000 0.310 226 I C -1.319 174.869 176.117 0.117 0.000 1.117 226 I CA -1.265 60.064 61.300 0.048 0.000 1.003 226 I CB 1.835 39.782 38.000 -0.088 0.000 1.228 226 I HN 0.255 nan 8.210 nan 0.000 0.443 227 V N 2.392 122.443 119.914 0.229 0.000 2.370 227 V HA 0.416 4.536 4.120 -0.000 0.000 0.283 227 V C -1.043 175.217 176.094 0.276 0.000 1.023 227 V CA 0.031 62.481 62.300 0.249 0.000 0.857 227 V CB 1.051 33.036 31.823 0.271 0.000 0.985 227 V HN 0.752 nan 8.190 nan 0.000 0.443 228 D N 2.718 123.232 120.400 0.190 0.000 2.473 228 D HA 0.249 4.889 4.640 -0.000 0.000 0.253 228 D C 1.034 177.404 176.300 0.117 0.000 1.233 228 D CA -0.101 53.991 54.000 0.153 0.000 0.908 228 D CB 1.985 42.848 40.800 0.105 0.000 1.170 228 D HN 0.462 nan 8.370 nan 0.000 0.558 229 S N 1.436 117.194 115.700 0.097 0.000 2.474 229 S HA 0.004 4.474 4.470 -0.000 0.000 0.235 229 S C 1.744 176.379 174.600 0.058 0.000 0.997 229 S CA 0.575 58.819 58.200 0.073 0.000 0.949 229 S CB 0.062 63.275 63.200 0.021 0.000 0.766 229 S HN 0.415 nan 8.310 nan 0.000 0.517 230 G N 0.343 109.158 108.800 0.026 0.000 3.233 230 G HA2 0.328 4.288 3.960 -0.000 0.000 0.227 230 G HA3 0.328 4.288 3.960 -0.000 0.000 0.227 230 G C -0.035 174.866 174.900 0.002 0.000 1.175 230 G CA -0.161 44.926 45.100 -0.022 0.000 0.781 230 G HN 0.446 nan 8.290 nan 0.000 0.542 231 T N -0.086 114.490 114.554 0.037 0.000 2.807 231 T HA 0.358 4.708 4.350 -0.000 0.000 0.279 231 T C 1.320 176.049 174.700 0.049 0.000 0.993 231 T CA -0.362 61.759 62.100 0.034 0.000 0.970 231 T CB 1.977 70.863 68.868 0.031 0.000 0.950 231 T HN -0.022 nan 8.240 nan 0.000 0.441 232 T N 3.348 117.925 114.554 0.038 0.000 2.701 232 T HA -0.022 4.328 4.350 -0.000 0.000 0.263 232 T C 1.116 175.842 174.700 0.043 0.000 1.040 232 T CA 1.051 63.180 62.100 0.048 0.000 1.147 232 T CB -0.083 68.804 68.868 0.031 0.000 0.865 232 T HN 0.425 nan 8.240 nan 0.000 0.426 233 N N 0.869 119.577 118.700 0.014 0.000 2.413 233 N HA 0.302 5.042 4.740 -0.000 0.000 0.266 233 N C -0.708 174.801 175.510 -0.002 0.000 1.238 233 N CA -0.550 52.495 53.050 -0.009 0.000 0.972 233 N CB 0.292 38.746 38.487 -0.054 0.000 1.210 233 N HN 0.151 nan 8.380 nan 0.000 0.547 234 L N 1.385 122.596 121.223 -0.020 0.000 2.260 234 L HA 0.318 4.658 4.340 -0.000 0.000 0.289 234 L C -0.329 176.521 176.870 -0.033 0.000 1.057 234 L CA -0.313 54.522 54.840 -0.008 0.000 0.811 234 L CB 0.095 42.147 42.059 -0.013 0.000 1.184 234 L HN 0.330 nan 8.230 nan 0.000 0.429 235 R N 5.945 126.430 120.500 -0.025 0.000 2.460 235 R HA 0.677 5.017 4.340 -0.000 0.000 0.303 235 R C -1.216 175.081 176.300 -0.006 0.000 0.968 235 R CA -0.762 55.311 56.100 -0.044 0.000 0.889 235 R CB 2.057 32.318 30.300 -0.065 0.000 1.123 235 R HN 0.589 nan 8.270 nan 0.000 0.455 236 L N 3.231 124.470 121.223 0.027 0.000 2.370 236 L HA 0.506 4.846 4.340 -0.000 0.000 0.266 236 L C -2.364 174.566 176.870 0.100 0.000 1.002 236 L CA -2.725 52.173 54.840 0.096 0.000 0.818 236 L CB 2.322 44.499 42.059 0.196 0.000 1.325 236 L HN 0.269 nan 8.230 nan 0.000 0.418 237 P HA -0.031 nan 4.420 nan 0.000 0.265 237 P C 0.290 177.690 177.300 0.167 0.000 1.187 237 P CA -0.009 63.163 63.100 0.121 0.000 0.766 237 P CB 0.657 32.462 31.700 0.175 0.000 0.820 238 K N 3.594 124.081 120.400 0.145 0.000 2.049 238 K HA -0.299 4.021 4.320 -0.000 0.000 0.219 238 K C 1.588 178.304 176.600 0.192 0.000 1.056 238 K CA 2.100 58.490 56.287 0.172 0.000 0.946 238 K CB -0.184 32.390 32.500 0.122 0.000 0.723 238 K HN 0.274 nan 8.250 nan 0.000 0.453 239 K N -0.083 120.392 120.400 0.124 0.000 2.063 239 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 239 K C 2.043 178.697 176.600 0.090 0.000 1.048 239 K CA 1.641 57.972 56.287 0.073 0.000 0.928 239 K CB -0.018 32.485 32.500 0.006 0.000 0.713 239 K HN 0.055 nan 8.250 nan 0.000 0.442 240 V N 0.815 120.810 119.914 0.136 0.000 2.358 240 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 240 V C 1.926 178.115 176.094 0.158 0.000 1.047 240 V CA 1.544 63.946 62.300 0.168 0.000 1.035 240 V CB -0.518 31.454 31.823 0.248 0.000 0.658 240 V HN 0.244 nan 8.190 nan 0.000 0.452 241 F N 1.536 121.526 119.950 0.068 0.000 2.095 241 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 241 F C 2.475 178.314 175.800 0.065 0.000 1.104 241 F CA 1.976 60.017 58.000 0.067 0.000 1.232 241 F CB -0.266 38.774 39.000 0.067 0.000 0.987 241 F HN 0.121 nan 8.300 nan 0.000 0.475 242 E N 0.668 120.851 120.200 -0.028 0.000 2.077 242 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 242 E C 2.439 178.935 176.600 -0.174 0.000 0.989 242 E CA 1.294 57.606 56.400 -0.146 0.000 0.800 242 E CB -1.027 28.679 29.700 0.011 0.000 0.746 242 E HN 0.499 nan 8.360 nan 0.000 0.452 243 A N 1.292 124.063 122.820 -0.083 0.000 1.969 243 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 243 A C 2.380 179.904 177.584 -0.100 0.000 1.169 243 A CA 1.914 53.910 52.037 -0.069 0.000 0.635 243 A CB -0.437 18.557 19.000 -0.009 0.000 0.810 243 A HN 0.261 nan 8.150 nan 0.000 0.445 244 A N -0.669 122.082 122.820 -0.115 0.000 1.897 244 A HA 0.056 4.376 4.320 -0.000 0.000 0.215 244 A C 2.201 179.675 177.584 -0.182 0.000 1.181 244 A CA 1.589 53.558 52.037 -0.113 0.000 0.620 244 A CB -0.853 18.105 19.000 -0.069 0.000 0.821 244 A HN 0.343 nan 8.150 nan 0.000 0.443 245 V N 0.420 120.128 119.914 -0.344 0.000 2.343 245 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 245 V C 2.552 178.382 176.094 -0.440 0.000 1.051 245 V CA 2.378 64.425 62.300 -0.422 0.000 1.036 245 V CB -0.612 30.842 31.823 -0.614 0.000 0.654 245 V HN 0.708 nan 8.190 nan 0.000 0.451 246 K N -0.210 119.995 120.400 -0.325 0.000 2.057 246 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 246 K C 2.458 178.931 176.600 -0.212 0.000 1.049 246 K CA 1.880 58.009 56.287 -0.264 0.000 0.931 246 K CB -0.291 32.105 32.500 -0.174 0.000 0.714 246 K HN 0.402 nan 8.250 nan 0.000 0.440 247 S N 0.365 115.972 115.700 -0.156 0.000 2.371 247 S HA -0.044 4.426 4.470 -0.000 0.000 0.224 247 S C 1.890 176.445 174.600 -0.075 0.000 1.029 247 S CA 0.957 59.100 58.200 -0.094 0.000 0.978 247 S CB -0.207 62.960 63.200 -0.056 0.000 0.833 247 S HN 0.355 nan 8.310 nan 0.000 0.466 248 I N 1.081 121.600 120.570 -0.085 0.000 2.315 248 I HA -0.153 4.017 4.170 -0.000 0.000 0.248 248 I C 2.519 178.617 176.117 -0.032 0.000 1.117 248 I CA 1.126 62.447 61.300 0.035 0.000 1.404 248 I CB -0.232 37.860 38.000 0.153 0.000 1.071 248 I HN 0.244 nan 8.210 nan 0.000 0.419 249 K N 0.862 121.050 120.400 -0.354 0.000 2.057 249 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 249 K C 2.282 178.815 176.600 -0.110 0.000 1.049 249 K CA 1.479 57.545 56.287 -0.368 0.000 0.931 249 K CB -0.227 31.907 32.500 -0.611 0.000 0.714 249 K HN 0.312 nan 8.250 nan 0.000 0.440 250 A N 1.351 124.105 122.820 -0.110 0.000 1.898 250 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 250 A C 2.339 179.911 177.584 -0.020 0.000 1.181 250 A CA 1.723 53.724 52.037 -0.060 0.000 0.620 250 A CB -0.633 18.329 19.000 -0.062 0.000 0.819 250 A HN 0.325 nan 8.150 nan 0.000 0.442 251 A N 0.096 122.920 122.820 0.007 0.000 1.972 251 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 251 A C 2.152 179.748 177.584 0.020 0.000 1.169 251 A CA 2.021 54.078 52.037 0.033 0.000 0.635 251 A CB -0.614 18.436 19.000 0.083 0.000 0.810 251 A HN 1.055 nan 8.150 nan 0.000 0.446 252 S N -0.406 115.316 115.700 0.038 0.000 2.575 252 S HA 0.103 4.573 4.470 -0.000 0.000 0.237 252 S C 1.305 175.908 174.600 0.005 0.000 0.975 252 S CA 0.592 58.777 58.200 -0.026 0.000 0.960 252 S CB -0.403 62.782 63.200 -0.024 0.000 0.822 252 S HN 0.726 nan 8.310 nan 0.000 0.472 253 S N 1.857 117.552 115.700 -0.008 0.000 2.493 253 S HA -0.167 4.303 4.470 -0.000 0.000 0.243 253 S C 1.879 176.434 174.600 -0.074 0.000 0.991 253 S CA 1.345 59.524 58.200 -0.035 0.000 0.957 253 S CB -1.522 61.656 63.200 -0.037 0.000 0.756 253 S HN 0.789 nan 8.310 nan 0.000 0.521 254 T N -1.010 113.499 114.554 -0.076 0.000 3.051 254 T HA 0.087 4.437 4.350 -0.000 0.000 0.269 254 T C 0.424 175.055 174.700 -0.114 0.000 1.127 254 T CA 0.526 62.577 62.100 -0.080 0.000 1.107 254 T CB -0.340 68.489 68.868 -0.065 0.000 0.898 254 T HN 0.575 nan 8.240 nan 0.000 0.517 255 E N 0.476 120.567 120.200 -0.183 0.000 2.288 255 E HA 0.482 4.832 4.350 -0.000 0.000 0.268 255 E C -0.896 175.316 176.600 -0.646 0.000 0.885 255 E CA -1.088 55.111 56.400 -0.334 0.000 0.767 255 E CB 1.564 31.129 29.700 -0.226 0.000 1.220 255 E HN 0.039 nan 8.360 nan 0.000 0.427 256 K N 1.984 121.986 120.400 -0.664 0.000 2.207 256 K HA 0.555 4.875 4.320 -0.000 0.000 0.255 256 K C -0.815 175.315 176.600 -0.782 0.000 0.941 256 K CA -0.498 55.447 56.287 -0.570 0.000 0.825 256 K CB 1.045 33.415 32.500 -0.216 0.000 1.119 256 K HN 0.373 nan 8.250 nan 0.000 0.430 257 F N 1.958 121.989 119.950 0.136 0.000 2.563 257 F HA 0.381 4.908 4.527 -0.000 0.000 0.316 257 F C -1.604 174.272 175.800 0.127 0.000 1.076 257 F CA -2.024 55.971 58.000 -0.008 0.000 0.921 257 F CB 1.372 40.212 39.000 -0.266 0.000 1.209 257 F HN 0.353 nan 8.300 nan 0.000 0.462 258 P HA 0.008 nan 4.420 nan 0.000 0.271 258 P C -0.119 177.373 177.300 0.320 0.000 1.238 258 P CA -0.013 63.212 63.100 0.209 0.000 0.794 258 P CB 1.061 32.840 31.700 0.132 0.000 0.959 259 D N 0.629 121.196 120.400 0.277 0.000 2.144 259 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 259 D C 2.157 178.628 176.300 0.285 0.000 0.978 259 D CA 1.694 55.891 54.000 0.329 0.000 0.833 259 D CB -0.824 40.107 40.800 0.219 0.000 0.961 259 D HN 0.611 nan 8.370 nan 0.000 0.470 260 G N 0.415 109.336 108.800 0.202 0.000 2.462 260 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 260 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 260 G C 1.404 176.393 174.900 0.148 0.000 1.121 260 G CA 0.302 45.498 45.100 0.159 0.000 0.758 260 G HN 0.231 nan 8.290 nan 0.000 0.559 261 F N 0.485 120.417 119.950 -0.030 0.000 2.084 261 F HA 0.007 4.534 4.527 -0.000 0.000 0.296 261 F C 2.207 177.873 175.800 -0.223 0.000 1.111 261 F CA 1.044 58.914 58.000 -0.216 0.000 1.224 261 F CB -0.449 38.273 39.000 -0.462 0.000 0.991 261 F HN 0.225 nan 8.300 nan 0.000 0.471 262 W N 0.529 121.711 121.300 -0.196 0.000 2.525 262 W HA -0.019 4.641 4.660 -0.000 0.000 0.259 262 W C 1.830 178.418 176.519 0.114 0.000 1.253 262 W CA 0.480 57.631 57.345 -0.324 0.000 1.262 262 W CB -0.491 28.875 29.460 -0.157 0.000 1.122 262 W HN 0.029 nan 8.180 nan 0.000 0.607 263 L N -0.026 121.363 121.223 0.276 0.000 2.567 263 L HA 0.303 4.643 4.340 -0.000 0.000 0.225 263 L C 1.836 178.807 176.870 0.168 0.000 1.119 263 L CA 0.683 55.683 54.840 0.266 0.000 0.871 263 L CB -0.714 41.464 42.059 0.198 0.000 1.036 263 L HN 0.208 nan 8.230 nan 0.000 0.459 264 G N 0.422 109.288 108.800 0.110 0.000 2.136 264 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.242 264 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.242 264 G C 0.626 175.560 174.900 0.057 0.000 0.989 264 G CA 0.408 45.547 45.100 0.065 0.000 0.682 264 G HN 0.471 nan 8.290 nan 0.000 0.522 265 E N -0.378 119.864 120.200 0.070 0.000 2.340 265 E HA 0.087 4.437 4.350 -0.000 0.000 0.194 265 E C 1.270 177.913 176.600 0.072 0.000 0.996 265 E CA 1.083 57.525 56.400 0.070 0.000 0.869 265 E CB 0.148 29.896 29.700 0.079 0.000 0.835 265 E HN 0.858 nan 8.360 nan 0.000 0.493 266 Q N 0.086 119.943 119.800 0.094 0.000 2.511 266 Q HA 0.427 4.767 4.340 -0.000 0.000 0.289 266 Q C -0.886 175.204 176.000 0.149 0.000 1.021 266 Q CA -0.719 55.141 55.803 0.095 0.000 0.785 266 Q CB 1.283 30.068 28.738 0.078 0.000 1.472 266 Q HN -0.059 nan 8.270 nan 0.000 0.411 267 L N 0.438 121.714 121.223 0.089 0.000 2.454 267 L HA 0.679 5.019 4.340 -0.000 0.000 0.256 267 L C -0.284 176.558 176.870 -0.048 0.000 1.136 267 L CA -1.141 53.747 54.840 0.080 0.000 0.804 267 L CB 1.223 43.288 42.059 0.010 0.000 1.181 267 L HN 0.403 nan 8.230 nan 0.000 0.469 268 V N -0.280 119.518 119.914 -0.193 0.000 2.735 268 V HA 0.453 4.573 4.120 -0.000 0.000 0.310 268 V C -0.504 175.277 176.094 -0.521 0.000 1.061 268 V CA -0.504 61.460 62.300 -0.560 0.000 0.913 268 V CB 1.952 33.096 31.823 -1.132 0.000 1.005 268 V HN 0.858 nan 8.190 nan 0.000 0.428 269 c N 3.355 121.587 118.600 -0.614 0.000 2.707 269 c HA 0.750 5.320 4.570 -0.000 0.000 0.313 269 c C -1.004 172.778 174.090 -0.513 0.000 1.209 269 c CA -0.858 55.244 56.329 -0.380 0.000 1.635 269 c CB 1.933 44.328 42.510 -0.192 0.000 2.206 269 c HN 0.877 nan 8.230 nan 0.000 0.485 270 W N 0.840 122.153 121.300 0.022 0.000 3.033 270 W HA 0.367 5.027 4.660 -0.000 0.000 0.336 270 W C -0.654 175.873 176.519 0.013 0.000 1.173 270 W CA -0.483 56.872 57.345 0.017 0.000 1.185 270 W CB 1.086 30.552 29.460 0.010 0.000 1.425 270 W HN 0.678 nan 8.180 nan 0.000 0.536 271 Q N 1.343 121.282 119.800 0.232 0.000 2.333 271 Q HA 0.221 4.561 4.340 -0.000 0.000 0.299 271 Q C 0.527 176.611 176.000 0.140 0.000 1.067 271 Q CA 0.249 56.132 55.803 0.135 0.000 0.943 271 Q CB 0.515 29.314 28.738 0.102 0.000 1.233 271 Q HN 0.422 nan 8.270 nan 0.000 0.401 272 A N 1.837 124.714 122.820 0.096 0.000 2.600 272 A HA 0.211 4.531 4.320 -0.000 0.000 0.244 272 A C 1.380 179.018 177.584 0.089 0.000 1.016 272 A CA 0.905 52.994 52.037 0.087 0.000 0.778 272 A CB -0.753 18.277 19.000 0.049 0.000 0.920 272 A HN 1.108 nan 8.150 nan 0.000 0.513 273 G N 1.576 110.441 108.800 0.109 0.000 2.212 273 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.266 273 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.266 273 G C 0.918 175.865 174.900 0.078 0.000 0.978 273 G CA 1.384 46.544 45.100 0.100 0.000 0.632 273 G HN 2.280 nan 8.290 nan 0.000 0.537 274 T N -1.372 113.217 114.554 0.059 0.000 3.134 274 T HA 0.419 4.769 4.350 -0.000 0.000 0.260 274 T C 0.859 175.415 174.700 -0.240 0.000 1.027 274 T CA 0.925 63.014 62.100 -0.018 0.000 0.913 274 T CB 0.182 69.074 68.868 0.041 0.000 1.046 274 T HN 0.377 nan 8.240 nan 0.000 0.553 275 T N 6.085 120.427 114.554 -0.352 0.000 2.822 275 T HA 0.150 4.500 4.350 -0.000 0.000 0.288 275 T C -2.204 171.834 174.700 -1.104 0.000 0.991 275 T CA -0.477 60.987 62.100 -1.060 0.000 1.176 275 T CB 0.606 68.751 68.868 -1.205 0.000 0.951 275 T HN 0.286 nan 8.240 nan 0.000 0.526 276 P HA 0.139 nan 4.420 nan 0.000 0.231 276 P C 0.169 177.281 177.300 -0.312 0.000 1.811 276 P CA -0.465 62.315 63.100 -0.534 0.000 1.051 276 P CB -0.151 31.310 31.700 -0.398 0.000 1.951 277 W N 2.683 123.917 121.300 -0.109 0.000 2.321 277 W HA -0.278 4.382 4.660 -0.000 0.000 0.306 277 W C 2.183 178.769 176.519 0.113 0.000 1.217 277 W CA 1.623 58.970 57.345 0.002 0.000 1.257 277 W CB -1.441 27.995 29.460 -0.040 0.000 1.145 277 W HN 0.314 nan 8.180 nan 0.000 0.509 278 N N 1.670 120.539 118.700 0.282 0.000 2.348 278 N HA -0.220 4.520 4.740 -0.000 0.000 0.185 278 N C 1.425 177.000 175.510 0.110 0.000 1.019 278 N CA 2.052 55.210 53.050 0.180 0.000 0.880 278 N CB -1.047 37.495 38.487 0.092 0.000 0.965 278 N HN 0.448 nan 8.380 nan 0.000 0.437 279 I N -4.046 116.548 120.570 0.040 0.000 3.059 279 I HA 0.207 4.377 4.170 -0.000 0.000 0.270 279 I C -0.340 175.711 176.117 -0.109 0.000 1.238 279 I CA -0.113 61.136 61.300 -0.085 0.000 1.478 279 I CB -0.236 37.637 38.000 -0.212 0.000 1.097 279 I HN -0.163 nan 8.210 nan 0.000 0.455 280 F N 3.860 123.914 119.950 0.174 0.000 2.384 280 F HA 0.488 5.015 4.527 -0.000 0.000 0.338 280 F C -1.919 174.047 175.800 0.277 0.000 1.103 280 F CA -2.557 55.610 58.000 0.278 0.000 1.157 280 F CB 0.265 39.434 39.000 0.282 0.000 1.167 280 F HN -0.095 nan 8.300 nan 0.000 0.529 281 P HA 0.241 nan 4.420 nan 0.000 0.279 281 P C -0.858 176.694 177.300 0.420 0.000 1.252 281 P CA -0.323 62.992 63.100 0.359 0.000 0.811 281 P CB 1.648 33.508 31.700 0.266 0.000 1.035 282 V N -0.342 119.740 119.914 0.280 0.000 2.904 282 V HA 0.492 4.612 4.120 -0.000 0.000 0.305 282 V C 0.201 176.425 176.094 0.218 0.000 1.067 282 V CA -0.598 61.862 62.300 0.267 0.000 1.044 282 V CB 0.343 32.264 31.823 0.163 0.000 1.050 282 V HN 0.312 nan 8.190 nan 0.000 0.475 283 I N 2.151 122.840 120.570 0.197 0.000 2.436 283 I HA 0.464 4.634 4.170 -0.000 0.000 0.289 283 I C -0.108 176.025 176.117 0.027 0.000 1.010 283 I CA -0.101 61.250 61.300 0.085 0.000 1.098 283 I CB 2.020 40.044 38.000 0.040 0.000 1.266 283 I HN 0.704 nan 8.210 nan 0.000 0.434 284 S N 6.951 122.630 115.700 -0.035 0.000 2.454 284 S HA 0.661 5.131 4.470 -0.000 0.000 0.306 284 S C -0.487 174.009 174.600 -0.173 0.000 1.100 284 S CA -0.623 57.496 58.200 -0.136 0.000 1.087 284 S CB 1.402 64.493 63.200 -0.182 0.000 1.019 284 S HN 0.346 nan 8.310 nan 0.000 0.480 285 L N 3.421 124.472 121.223 -0.287 0.000 2.333 285 L HA 0.513 4.853 4.340 -0.000 0.000 0.280 285 L C -1.352 175.270 176.870 -0.415 0.000 1.004 285 L CA -0.791 53.872 54.840 -0.295 0.000 0.820 285 L CB 0.928 42.797 42.059 -0.317 0.000 1.247 285 L HN 0.609 nan 8.230 nan 0.000 0.416 286 Y N 3.655 123.693 120.300 -0.436 0.000 2.323 286 Y HA 0.553 5.103 4.550 -0.000 0.000 0.331 286 Y C 0.060 175.663 175.900 -0.495 0.000 1.092 286 Y CA -0.309 57.508 58.100 -0.473 0.000 1.150 286 Y CB 1.385 39.619 38.460 -0.377 0.000 1.200 286 Y HN 0.350 nan 8.280 nan 0.000 0.472 287 L N 3.942 124.799 121.223 -0.610 0.000 2.342 287 L HA 0.497 4.837 4.340 -0.000 0.000 0.271 287 L C -0.121 176.536 176.870 -0.356 0.000 1.008 287 L CA -1.135 53.367 54.840 -0.562 0.000 0.818 287 L CB 1.946 43.461 42.059 -0.906 0.000 1.296 287 L HN 0.602 nan 8.230 nan 0.000 0.427 288 M N 1.390 120.933 119.600 -0.095 0.000 2.248 288 M HA 0.237 4.717 4.480 -0.000 0.000 0.345 288 M C 0.429 176.841 176.300 0.185 0.000 1.243 288 M CA 0.299 55.632 55.300 0.055 0.000 1.090 288 M CB 0.736 33.387 32.600 0.084 0.000 1.683 288 M HN 0.714 nan 8.290 nan 0.000 0.450 289 G N 3.227 112.188 108.800 0.269 0.000 2.537 289 G HA2 0.233 4.193 3.960 -0.000 0.000 0.297 289 G HA3 0.233 4.193 3.960 -0.000 0.000 0.297 289 G C 0.051 175.118 174.900 0.279 0.000 1.310 289 G CA -0.405 44.946 45.100 0.419 0.000 1.027 289 G HN 0.893 nan 8.290 nan 0.000 0.505 290 E N -1.519 118.833 120.200 0.253 0.000 2.230 290 E HA 0.021 4.371 4.350 -0.000 0.000 0.192 290 E C 0.525 177.193 176.600 0.114 0.000 0.987 290 E CA 0.154 56.646 56.400 0.153 0.000 0.841 290 E CB 0.350 30.111 29.700 0.102 0.000 0.783 290 E HN 0.091 nan 8.360 nan 0.000 0.481 291 V N 2.367 122.359 119.914 0.131 0.000 2.546 291 V HA 0.039 4.159 4.120 -0.000 0.000 0.284 291 V C 0.454 176.610 176.094 0.102 0.000 1.050 291 V CA -0.284 62.075 62.300 0.100 0.000 0.981 291 V CB 1.476 33.360 31.823 0.101 0.000 0.990 291 V HN 0.097 nan 8.190 nan 0.000 0.474 292 T N 5.371 119.971 114.554 0.076 0.000 2.933 292 T HA -0.012 4.338 4.350 -0.000 0.000 0.306 292 T C 0.977 175.724 174.700 0.078 0.000 1.045 292 T CA 0.383 62.525 62.100 0.070 0.000 1.143 292 T CB -0.259 68.640 68.868 0.051 0.000 1.003 292 T HN 0.860 nan 8.240 nan 0.000 0.540 293 N N 0.813 119.560 118.700 0.078 0.000 2.708 293 N HA -0.173 4.567 4.740 -0.000 0.000 0.251 293 N C -0.156 175.416 175.510 0.104 0.000 1.123 293 N CA 0.968 54.065 53.050 0.079 0.000 0.739 293 N CB -0.780 37.744 38.487 0.062 0.000 1.113 293 N HN 0.823 nan 8.380 nan 0.000 0.561 294 Q N 0.296 120.175 119.800 0.132 0.000 2.353 294 Q HA 0.605 4.945 4.340 -0.000 0.000 0.268 294 Q C -0.636 175.493 176.000 0.216 0.000 1.045 294 Q CA -0.548 55.359 55.803 0.174 0.000 0.811 294 Q CB 1.545 30.397 28.738 0.190 0.000 1.305 294 Q HN 0.300 nan 8.270 nan 0.000 0.447 295 S N 2.184 118.034 115.700 0.250 0.000 2.661 295 S HA 0.866 5.336 4.470 -0.000 0.000 0.285 295 S C -0.914 173.881 174.600 0.324 0.000 1.138 295 S CA -0.723 57.626 58.200 0.249 0.000 0.855 295 S CB 1.166 64.475 63.200 0.182 0.000 1.136 295 S HN 0.591 nan 8.310 nan 0.000 0.484 296 F N -1.169 118.825 119.950 0.074 0.000 2.675 296 F HA 0.900 5.426 4.527 -0.000 0.000 0.324 296 F C -0.624 175.029 175.800 -0.245 0.000 1.106 296 F CA -1.324 56.566 58.000 -0.183 0.000 0.970 296 F CB 1.345 39.960 39.000 -0.642 0.000 1.385 296 F HN 0.971 nan 8.300 nan 0.000 0.489 297 R N 1.649 121.937 120.500 -0.354 0.000 2.795 297 R HA 0.832 5.172 4.340 -0.000 0.000 0.275 297 R C -1.657 174.353 176.300 -0.483 0.000 0.981 297 R CA -0.959 54.679 56.100 -0.769 0.000 0.917 297 R CB 2.506 31.937 30.300 -1.447 0.000 1.202 297 R HN 0.996 nan 8.270 nan 0.000 0.469 298 I N -0.715 119.512 120.570 -0.571 0.000 2.474 298 I HA 0.548 4.718 4.170 -0.000 0.000 0.294 298 I C -1.085 174.885 176.117 -0.245 0.000 1.005 298 I CA -0.764 60.239 61.300 -0.495 0.000 1.113 298 I CB 2.551 39.915 38.000 -1.061 0.000 1.289 298 I HN 0.523 nan 8.210 nan 0.000 0.436 299 T N 7.232 121.805 114.554 0.032 0.000 2.812 299 T HA 0.640 4.990 4.350 -0.000 0.000 0.282 299 T C -0.109 174.726 174.700 0.224 0.000 0.990 299 T CA -0.445 61.700 62.100 0.076 0.000 0.960 299 T CB 1.510 70.386 68.868 0.014 0.000 0.948 299 T HN 0.644 nan 8.240 nan 0.000 0.438 300 I N 0.654 121.345 120.570 0.202 0.000 2.863 300 I HA 0.742 4.912 4.170 -0.000 0.000 0.311 300 I C -0.869 175.352 176.117 0.172 0.000 1.026 300 I CA -1.404 59.996 61.300 0.167 0.000 1.077 300 I CB 1.251 39.384 38.000 0.222 0.000 1.262 300 I HN 0.404 nan 8.210 nan 0.000 0.461 301 L N 2.039 123.315 121.223 0.087 0.000 2.335 301 L HA 0.533 4.873 4.340 -0.000 0.000 0.268 301 L C -1.594 175.170 176.870 -0.177 0.000 1.016 301 L CA -1.732 53.132 54.840 0.041 0.000 0.805 301 L CB 1.350 43.389 42.059 -0.032 0.000 1.311 301 L HN 0.411 nan 8.230 nan 0.000 0.456 302 P HA -0.138 nan 4.420 nan 0.000 0.222 302 P C 0.881 177.874 177.300 -0.512 0.000 1.147 302 P CA 1.075 63.587 63.100 -0.979 0.000 0.790 302 P CB 0.290 31.798 31.700 -0.321 0.000 0.780 303 Q N -0.549 118.980 119.800 -0.452 0.000 2.364 303 Q HA -0.151 4.189 4.340 -0.000 0.000 0.209 303 Q C 2.142 177.999 176.000 -0.238 0.000 0.977 303 Q CA 1.382 56.842 55.803 -0.572 0.000 0.885 303 Q CB -0.403 27.882 28.738 -0.756 0.000 0.941 303 Q HN 0.293 nan 8.270 nan 0.000 0.464 304 Q N -1.729 117.965 119.800 -0.175 0.000 2.226 304 Q HA -0.021 4.319 4.340 -0.000 0.000 0.199 304 Q C 1.127 177.155 176.000 0.047 0.000 0.945 304 Q CA 0.888 56.669 55.803 -0.037 0.000 0.861 304 Q CB 0.075 28.823 28.738 0.016 0.000 0.953 304 Q HN 0.673 nan 8.270 nan 0.000 0.490 305 Y N -1.455 118.874 120.300 0.048 0.000 2.490 305 Y HA 0.406 4.956 4.550 -0.000 0.000 0.281 305 Y C -0.201 175.726 175.900 0.045 0.000 1.174 305 Y CA -0.310 57.803 58.100 0.023 0.000 1.295 305 Y CB -0.040 38.428 38.460 0.013 0.000 1.062 305 Y HN -0.173 nan 8.280 nan 0.000 0.522 306 L N 3.212 124.452 121.223 0.029 0.000 2.276 306 L HA 0.442 4.782 4.340 -0.000 0.000 0.286 306 L C -0.065 176.963 176.870 0.263 0.000 1.024 306 L CA -0.666 54.254 54.840 0.133 0.000 0.826 306 L CB 1.387 43.362 42.059 -0.141 0.000 1.211 306 L HN 0.130 nan 8.230 nan 0.000 0.422 307 R N 5.524 126.194 120.500 0.284 0.000 2.221 307 R HA 0.369 4.709 4.340 -0.000 0.000 0.327 307 R C -2.442 174.036 176.300 0.297 0.000 1.033 307 R CA -1.489 54.760 56.100 0.249 0.000 0.887 307 R CB 1.101 31.485 30.300 0.139 0.000 1.057 307 R HN 0.217 nan 8.270 nan 0.000 0.455 308 P HA -0.034 nan 4.420 nan 0.000 0.267 308 P C -1.103 176.184 177.300 -0.023 0.000 1.205 308 P CA -0.137 62.981 63.100 0.030 0.000 0.765 308 P CB 0.917 32.654 31.700 0.063 0.000 0.828 309 V N -0.157 119.700 119.914 -0.096 0.000 2.925 309 V HA 0.580 4.700 4.120 -0.000 0.000 0.311 309 V C -0.205 175.847 176.094 -0.070 0.000 1.104 309 V CA -1.501 60.770 62.300 -0.049 0.000 0.954 309 V CB 1.904 33.718 31.823 -0.016 0.000 1.022 309 V HN 0.281 nan 8.190 nan 0.000 0.427 310 E N 2.125 122.303 120.200 -0.037 0.000 2.413 310 E HA 0.117 4.467 4.350 -0.000 0.000 0.263 310 E C -0.173 176.403 176.600 -0.039 0.000 1.015 310 E CA 0.247 56.629 56.400 -0.030 0.000 0.916 310 E CB 0.685 30.377 29.700 -0.013 0.000 0.947 310 E HN 0.886 nan 8.360 nan 0.000 0.440 311 D N 2.934 123.309 120.400 -0.041 0.000 2.458 311 D HA -0.060 4.580 4.640 -0.000 0.000 0.243 311 D C 1.120 177.403 176.300 -0.028 0.000 1.146 311 D CA 0.258 54.234 54.000 -0.041 0.000 0.877 311 D CB 1.068 41.846 40.800 -0.036 0.000 1.176 311 D HN 0.306 nan 8.370 nan 0.000 0.461 312 V N 2.348 122.245 119.914 -0.028 0.000 2.358 312 V HA 0.038 4.158 4.120 -0.000 0.000 0.246 312 V C 1.143 177.227 176.094 -0.017 0.000 1.047 312 V CA 1.190 63.478 62.300 -0.019 0.000 1.035 312 V CB -1.358 30.454 31.823 -0.018 0.000 0.658 312 V HN 0.584 nan 8.190 nan 0.000 0.452 313 A N 1.226 124.033 122.820 -0.021 0.000 2.302 313 A HA 0.521 4.841 4.320 -0.000 0.000 0.285 313 A C 1.141 178.716 177.584 -0.015 0.000 1.105 313 A CA 0.342 52.368 52.037 -0.017 0.000 0.816 313 A CB 0.410 19.398 19.000 -0.020 0.000 1.067 313 A HN 0.615 nan 8.150 nan 0.000 0.489 314 T N -0.011 114.536 114.554 -0.011 0.000 3.439 314 T HA 0.131 4.481 4.350 -0.000 0.000 0.251 314 T C 0.852 175.547 174.700 -0.009 0.000 1.108 314 T CA 0.483 62.577 62.100 -0.010 0.000 0.982 314 T CB -0.577 68.286 68.868 -0.007 0.000 1.024 314 T HN 0.368 nan 8.240 nan 0.000 0.573 315 S N 1.463 117.157 115.700 -0.010 0.000 2.617 315 S HA 0.118 4.588 4.470 -0.000 0.000 0.255 315 S C 1.336 175.934 174.600 -0.004 0.000 1.318 315 S CA -0.599 57.597 58.200 -0.006 0.000 0.978 315 S CB 0.581 63.777 63.200 -0.007 0.000 0.961 315 S HN 0.338 nan 8.310 nan 0.000 0.582 316 Q N 0.586 120.387 119.800 0.003 0.000 2.403 316 Q HA 0.135 4.475 4.340 -0.000 0.000 0.203 316 Q C -0.543 175.466 176.000 0.016 0.000 0.932 316 Q CA 0.191 55.998 55.803 0.006 0.000 0.945 316 Q CB -0.541 28.202 28.738 0.008 0.000 1.045 316 Q HN 0.527 nan 8.270 nan 0.000 0.511 317 D N 1.941 122.350 120.400 0.016 0.000 2.506 317 D HA -0.038 4.601 4.640 -0.000 0.000 0.234 317 D C -0.448 175.863 176.300 0.019 0.000 1.143 317 D CA 0.774 54.792 54.000 0.030 0.000 0.871 317 D CB 0.485 41.289 40.800 0.006 0.000 1.190 317 D HN -0.117 nan 8.370 nan 0.000 0.459 318 D N 1.500 121.942 120.400 0.069 0.000 2.317 318 D HA 0.238 4.878 4.640 -0.000 0.000 0.234 318 D C -0.464 175.784 176.300 -0.086 0.000 1.112 318 D CA -0.263 53.743 54.000 0.009 0.000 0.840 318 D CB 0.610 41.524 40.800 0.190 0.000 1.078 318 D HN 0.213 nan 8.370 nan 0.000 0.486 319 c N 2.660 121.043 118.600 -0.361 0.000 2.529 319 c HA 0.685 5.255 4.570 -0.000 0.000 0.329 319 c C -0.643 173.044 174.090 -0.671 0.000 1.194 319 c CA -0.757 55.373 56.329 -0.331 0.000 1.779 319 c CB 0.248 42.657 42.510 -0.169 0.000 2.322 319 c HN 0.537 nan 8.230 nan 0.000 0.500 320 Y N -0.086 120.254 120.300 0.067 0.000 2.571 320 Y HA 0.591 5.141 4.550 -0.000 0.000 0.341 320 Y C -0.178 175.816 175.900 0.157 0.000 1.076 320 Y CA -0.898 57.276 58.100 0.123 0.000 1.029 320 Y CB 1.314 39.872 38.460 0.164 0.000 1.308 320 Y HN 0.583 nan 8.280 nan 0.000 0.461 321 K N 1.281 121.873 120.400 0.321 0.000 2.203 321 K HA 0.523 4.843 4.320 -0.000 0.000 0.251 321 K C -1.504 175.247 176.600 0.252 0.000 0.944 321 K CA -0.737 55.700 56.287 0.250 0.000 0.829 321 K CB 1.111 33.691 32.500 0.133 0.000 1.125 321 K HN 0.590 nan 8.250 nan 0.000 0.430 322 F N 3.212 123.059 119.950 -0.172 0.000 2.471 322 F HA 0.312 4.839 4.527 -0.000 0.000 0.365 322 F C 0.115 175.885 175.800 -0.050 0.000 1.095 322 F CA -0.489 57.347 58.000 -0.274 0.000 1.174 322 F CB 0.701 39.172 39.000 -0.881 0.000 1.105 322 F HN 0.612 nan 8.300 nan 0.000 0.535 323 A N 8.070 130.776 122.820 -0.190 0.000 2.797 323 A HA 0.417 4.737 4.320 -0.000 0.000 0.287 323 A C 0.009 177.403 177.584 -0.317 0.000 1.369 323 A CA -0.221 51.712 52.037 -0.173 0.000 0.968 323 A CB -1.130 17.867 19.000 -0.005 0.000 1.069 323 A HN 0.628 nan 8.150 nan 0.000 0.571 324 I N 0.997 121.144 120.570 -0.705 0.000 2.498 324 I HA 0.420 4.590 4.170 -0.000 0.000 0.290 324 I C -0.048 175.938 176.117 -0.218 0.000 1.032 324 I CA -0.387 60.620 61.300 -0.488 0.000 1.073 324 I CB 2.344 39.946 38.000 -0.662 0.000 1.251 324 I HN 0.320 nan 8.210 nan 0.000 0.426 325 S N 4.406 120.009 115.700 -0.162 0.000 2.651 325 S HA 0.530 5.000 4.470 -0.000 0.000 0.279 325 S C -0.939 173.254 174.600 -0.679 0.000 1.148 325 S CA -1.015 56.916 58.200 -0.448 0.000 0.837 325 S CB 1.862 64.897 63.200 -0.276 0.000 1.138 325 S HN 0.634 nan 8.310 nan 0.000 0.478 326 Q N 0.422 119.584 119.800 -1.064 0.000 2.382 326 Q HA 0.696 5.036 4.340 -0.000 0.000 0.229 326 Q C -0.378 175.462 176.000 -0.266 0.000 1.006 326 Q CA -0.638 54.788 55.803 -0.629 0.000 0.916 326 Q CB 0.872 29.285 28.738 -0.542 0.000 1.235 326 Q HN 0.644 nan 8.270 nan 0.000 0.512 327 S N -0.337 115.283 115.700 -0.133 0.000 2.546 327 S HA 0.339 4.809 4.470 -0.000 0.000 0.274 327 S C -0.315 174.248 174.600 -0.063 0.000 1.121 327 S CA -0.271 57.874 58.200 -0.092 0.000 0.887 327 S CB 1.694 64.845 63.200 -0.081 0.000 1.094 327 S HN 0.710 nan 8.310 nan 0.000 0.474 328 S N 1.192 116.851 115.700 -0.069 0.000 2.539 328 S HA 0.153 4.623 4.470 -0.000 0.000 0.221 328 S C 0.710 175.235 174.600 -0.125 0.000 0.987 328 S CA 0.375 58.536 58.200 -0.065 0.000 0.929 328 S CB -0.166 63.011 63.200 -0.037 0.000 0.832 328 S HN 0.947 nan 8.310 nan 0.000 0.492 329 T N -1.626 112.844 114.554 -0.141 0.000 3.415 329 T HA 0.635 4.985 4.350 -0.000 0.000 0.282 329 T C 0.743 175.313 174.700 -0.217 0.000 1.007 329 T CA -0.032 61.956 62.100 -0.187 0.000 0.958 329 T CB 0.019 68.793 68.868 -0.156 0.000 1.171 329 T HN 1.157 nan 8.240 nan 0.000 0.500 330 G N 1.156 109.833 108.800 -0.206 0.000 2.685 330 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.387 330 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.387 330 G C -0.439 174.407 174.900 -0.090 0.000 1.324 330 G CA -0.651 44.353 45.100 -0.161 0.000 0.878 330 G HN 0.531 nan 8.290 nan 0.000 0.527 331 T N -0.038 114.489 114.554 -0.046 0.000 2.907 331 T HA 0.509 4.859 4.350 -0.000 0.000 0.298 331 T C 0.280 174.954 174.700 -0.044 0.000 1.017 331 T CA 0.145 62.235 62.100 -0.017 0.000 1.118 331 T CB 1.420 70.300 68.868 0.019 0.000 0.948 331 T HN 1.163 nan 8.240 nan 0.000 0.531 332 V N 4.670 124.566 119.914 -0.030 0.000 2.409 332 V HA 0.313 4.433 4.120 -0.000 0.000 0.290 332 V C -0.097 176.007 176.094 0.016 0.000 1.017 332 V CA -0.690 61.597 62.300 -0.022 0.000 0.841 332 V CB 1.473 33.275 31.823 -0.034 0.000 1.003 332 V HN 0.897 nan 8.190 nan 0.000 0.426 333 M N 4.575 124.203 119.600 0.047 0.000 2.497 333 M HA 0.377 4.857 4.480 -0.000 0.000 0.336 333 M C 0.973 177.335 176.300 0.104 0.000 1.378 333 M CA 0.137 55.483 55.300 0.077 0.000 1.375 333 M CB 0.527 33.187 32.600 0.101 0.000 1.337 333 M HN 0.802 nan 8.290 nan 0.000 0.461 334 G N 0.975 109.825 108.800 0.084 0.000 2.509 334 G HA2 0.481 4.441 3.960 -0.000 0.000 0.269 334 G HA3 0.481 4.441 3.960 -0.000 0.000 0.269 334 G C 0.906 175.874 174.900 0.115 0.000 1.416 334 G CA 0.004 45.159 45.100 0.091 0.000 1.052 334 G HN 0.708 nan 8.290 nan 0.000 0.542 335 A N -1.395 121.496 122.820 0.117 0.000 1.948 335 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 335 A C 2.539 180.200 177.584 0.129 0.000 1.177 335 A CA 2.078 54.200 52.037 0.142 0.000 0.636 335 A CB -0.807 18.322 19.000 0.214 0.000 0.815 335 A HN 0.540 nan 8.150 nan 0.000 0.449 336 V N 0.121 120.103 119.914 0.114 0.000 2.392 336 V HA -0.259 3.861 4.120 -0.000 0.000 0.249 336 V C 2.351 178.520 176.094 0.125 0.000 1.059 336 V CA 2.015 64.379 62.300 0.107 0.000 1.051 336 V CB -0.495 31.383 31.823 0.091 0.000 0.658 336 V HN 0.549 nan 8.190 nan 0.000 0.455 337 I N -1.109 119.554 120.570 0.156 0.000 2.339 337 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 337 I C 2.337 178.642 176.117 0.315 0.000 1.096 337 I CA 1.453 62.898 61.300 0.243 0.000 1.408 337 I CB -1.159 36.976 38.000 0.224 0.000 1.092 337 I HN 0.263 nan 8.210 nan 0.000 0.423 338 M N 0.126 119.871 119.600 0.242 0.000 2.267 338 M HA -0.209 4.271 4.480 -0.000 0.000 0.263 338 M C 1.865 178.228 176.300 0.105 0.000 1.063 338 M CA 1.494 56.925 55.300 0.219 0.000 1.090 338 M CB -0.553 32.127 32.600 0.132 0.000 1.392 338 M HN 0.243 nan 8.290 nan 0.000 0.422 339 E N -0.049 120.176 120.200 0.041 0.000 2.338 339 E HA -0.099 4.251 4.350 -0.000 0.000 0.197 339 E C 2.002 178.541 176.600 -0.102 0.000 1.007 339 E CA 0.775 57.160 56.400 -0.026 0.000 0.849 339 E CB -0.133 29.573 29.700 0.009 0.000 0.774 339 E HN 0.625 nan 8.360 nan 0.000 0.506 340 G N -0.115 108.533 108.800 -0.253 0.000 2.683 340 G HA2 0.041 4.001 3.960 -0.000 0.000 0.213 340 G HA3 0.041 4.001 3.960 -0.000 0.000 0.213 340 G C 0.205 174.440 174.900 -1.107 0.000 1.142 340 G CA 0.037 44.683 45.100 -0.756 0.000 0.793 340 G HN 0.002 nan 8.290 nan 0.000 0.534 341 F N -2.358 117.621 119.950 0.048 0.000 2.629 341 F HA 0.509 5.035 4.527 -0.000 0.000 0.316 341 F C -0.937 174.923 175.800 0.101 0.000 1.081 341 F CA -1.859 56.188 58.000 0.078 0.000 0.954 341 F CB 1.321 40.416 39.000 0.158 0.000 1.337 341 F HN -0.112 nan 8.300 nan 0.000 0.474 342 Y N 2.025 122.394 120.300 0.116 0.000 2.350 342 Y HA 0.660 5.210 4.550 -0.000 0.000 0.340 342 Y C -0.997 174.799 175.900 -0.174 0.000 1.006 342 Y CA -1.563 56.519 58.100 -0.031 0.000 1.166 342 Y CB 0.804 39.236 38.460 -0.047 0.000 1.168 342 Y HN 0.314 nan 8.280 nan 0.000 0.502 343 V N 7.278 126.919 119.914 -0.455 0.000 2.448 343 V HA 0.399 4.519 4.120 -0.000 0.000 0.295 343 V C -0.717 174.797 176.094 -0.967 0.000 1.025 343 V CA -1.025 60.782 62.300 -0.821 0.000 0.859 343 V CB 1.520 32.918 31.823 -0.708 0.000 0.988 343 V HN 0.546 nan 8.190 nan 0.000 0.431 344 V N 5.458 124.716 119.914 -1.093 0.000 2.347 344 V HA 0.426 4.546 4.120 -0.000 0.000 0.280 344 V C -0.512 175.041 176.094 -0.902 0.000 1.021 344 V CA -0.306 61.487 62.300 -0.845 0.000 0.847 344 V CB 1.114 32.550 31.823 -0.645 0.000 0.990 344 V HN 0.715 nan 8.190 nan 0.000 0.444 345 F N 2.952 122.375 119.950 -0.879 0.000 2.384 345 F HA 0.293 4.820 4.527 -0.000 0.000 0.359 345 F C 0.818 176.253 175.800 -0.608 0.000 1.143 345 F CA -0.426 56.985 58.000 -0.982 0.000 1.216 345 F CB 0.535 38.371 39.000 -1.940 0.000 1.512 345 F HN 0.428 nan 8.300 nan 0.000 0.573 346 D N 3.141 123.420 120.400 -0.202 0.000 2.558 346 D HA 0.099 4.739 4.640 -0.000 0.000 0.221 346 D C 1.369 177.702 176.300 0.056 0.000 1.143 346 D CA 0.062 54.032 54.000 -0.051 0.000 1.010 346 D CB 0.272 41.058 40.800 -0.023 0.000 1.068 346 D HN 0.461 nan 8.370 nan 0.000 0.511 347 R N 1.491 122.065 120.500 0.123 0.000 2.120 347 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 347 R C 2.118 178.545 176.300 0.212 0.000 1.123 347 R CA 1.326 57.594 56.100 0.280 0.000 0.975 347 R CB -0.016 30.500 30.300 0.359 0.000 0.866 347 R HN 0.330 nan 8.270 nan 0.000 0.446 348 A N 1.273 124.185 122.820 0.152 0.000 1.940 348 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 348 A C 1.714 179.337 177.584 0.064 0.000 1.176 348 A CA 1.267 53.369 52.037 0.109 0.000 0.631 348 A CB -0.174 18.878 19.000 0.087 0.000 0.814 348 A HN 0.222 nan 8.150 nan 0.000 0.446 349 R N -1.541 118.979 120.500 0.034 0.000 2.507 349 R HA 0.215 4.555 4.340 -0.000 0.000 0.298 349 R C -0.007 176.306 176.300 0.021 0.000 0.999 349 R CA 0.177 56.273 56.100 -0.006 0.000 1.082 349 R CB 0.053 30.300 30.300 -0.088 0.000 1.246 349 R HN 0.481 nan 8.270 nan 0.000 0.553 350 K N 2.092 122.541 120.400 0.081 0.000 3.156 350 K HA -0.241 4.079 4.320 -0.000 0.000 0.266 350 K C -0.999 175.671 176.600 0.116 0.000 0.966 350 K CA 0.857 57.214 56.287 0.116 0.000 0.719 350 K CB -0.638 31.905 32.500 0.072 0.000 1.333 350 K HN 0.456 nan 8.250 nan 0.000 0.468 351 R N -0.226 120.339 120.500 0.109 0.000 2.764 351 R HA 0.643 4.983 4.340 -0.000 0.000 0.270 351 R C -0.884 175.470 176.300 0.091 0.000 1.014 351 R CA -1.167 55.008 56.100 0.126 0.000 0.904 351 R CB 1.167 31.522 30.300 0.091 0.000 1.236 351 R HN 0.077 nan 8.270 nan 0.000 0.466 352 I N 0.972 121.585 120.570 0.071 0.000 2.436 352 I HA 0.456 4.626 4.170 -0.000 0.000 0.289 352 I C -0.040 175.897 176.117 -0.300 0.000 1.010 352 I CA -0.931 60.210 61.300 -0.264 0.000 1.098 352 I CB 2.341 40.116 38.000 -0.375 0.000 1.266 352 I HN 0.881 nan 8.210 nan 0.000 0.434 353 G N 5.237 113.608 108.800 -0.715 0.000 2.400 353 G HA2 0.740 4.700 3.960 -0.000 0.000 0.333 353 G HA3 0.740 4.700 3.960 -0.000 0.000 0.333 353 G C -1.345 172.947 174.900 -1.012 0.000 1.143 353 G CA -0.244 44.189 45.100 -1.111 0.000 0.914 353 G HN 0.332 nan 8.290 nan 0.000 0.480 354 F N 0.444 120.024 119.950 -0.617 0.000 2.540 354 F HA 0.736 5.263 4.527 -0.000 0.000 0.317 354 F C 0.390 176.016 175.800 -0.290 0.000 1.104 354 F CA -0.625 57.138 58.000 -0.394 0.000 0.913 354 F CB 2.738 41.546 39.000 -0.321 0.000 1.170 354 F HN 0.714 nan 8.300 nan 0.000 0.450 355 A N 1.537 124.388 122.820 0.052 0.000 2.539 355 A HA 0.767 5.087 4.320 -0.000 0.000 0.296 355 A C -1.339 176.452 177.584 0.345 0.000 1.073 355 A CA -0.865 51.244 52.037 0.120 0.000 0.700 355 A CB 1.187 20.108 19.000 -0.133 0.000 1.296 355 A HN 0.471 nan 8.150 nan 0.000 0.405 356 V N 1.656 121.756 119.914 0.309 0.000 2.599 356 V HA 0.211 4.331 4.120 -0.000 0.000 0.300 356 V C 1.210 177.391 176.094 0.145 0.000 1.034 356 V CA 0.398 62.795 62.300 0.161 0.000 1.115 356 V CB 1.114 32.966 31.823 0.048 0.000 0.934 356 V HN 0.917 nan 8.190 nan 0.000 0.485 357 S N 3.947 119.663 115.700 0.026 0.000 2.549 357 S HA 0.374 4.844 4.470 -0.000 0.000 0.279 357 S C 1.260 175.957 174.600 0.163 0.000 1.321 357 S CA -0.139 58.124 58.200 0.106 0.000 1.054 357 S CB 1.212 64.440 63.200 0.047 0.000 0.899 357 S HN 0.995 nan 8.310 nan 0.000 0.497 358 A N 3.189 126.058 122.820 0.081 0.000 2.168 358 A HA 0.002 4.322 4.320 -0.000 0.000 0.215 358 A C 1.760 179.361 177.584 0.029 0.000 1.152 358 A CA 1.071 53.134 52.037 0.043 0.000 0.716 358 A CB -1.026 17.954 19.000 -0.035 0.000 0.794 358 A HN 1.207 nan 8.150 nan 0.000 0.465 359 c N -0.805 117.814 118.600 0.032 0.000 2.994 359 c HA 0.376 4.946 4.570 -0.000 0.000 0.284 359 c C 0.800 174.888 174.090 -0.004 0.000 1.404 359 c CA -0.396 55.927 56.329 -0.009 0.000 1.775 359 c CB -1.930 40.563 42.510 -0.028 0.000 2.458 359 c HN 0.656 nan 8.230 nan 0.000 0.593 360 H N 0.484 119.524 119.070 -0.050 0.000 2.707 360 H HA 0.485 5.041 4.556 -0.000 0.000 0.359 360 H C -0.728 174.580 175.328 -0.032 0.000 1.113 360 H CA -0.035 55.965 56.048 -0.080 0.000 1.422 360 H CB 0.836 30.501 29.762 -0.162 0.000 1.443 360 H HN 0.166 nan 8.280 nan 0.000 0.591 361 V N 5.917 125.755 119.914 -0.127 0.000 2.530 361 V HA 0.178 4.298 4.120 -0.000 0.000 0.282 361 V C 0.670 176.607 176.094 -0.261 0.000 1.048 361 V CA 0.003 62.148 62.300 -0.258 0.000 0.997 361 V CB 0.300 31.994 31.823 -0.216 0.000 0.987 361 V HN 1.040 nan 8.190 nan 0.000 0.477 362 H N 2.700 121.525 119.070 -0.408 0.000 3.110 362 H HA 0.693 5.249 4.556 -0.000 0.000 0.277 362 H C -1.481 173.637 175.328 -0.349 0.000 1.571 362 H CA -0.824 55.011 56.048 -0.355 0.000 1.206 362 H CB 1.811 31.403 29.762 -0.283 0.000 1.852 362 H HN 0.629 nan 8.280 nan 0.000 0.629 363 D N -1.325 118.994 120.400 -0.135 0.000 2.727 363 D HA 0.123 4.763 4.640 -0.000 0.000 0.264 363 D C 0.682 176.928 176.300 -0.091 0.000 1.101 363 D CA -0.809 53.076 54.000 -0.192 0.000 1.122 363 D CB 1.369 42.087 40.800 -0.136 0.000 1.390 363 D HN 0.648 nan 8.370 nan 0.000 0.606 364 E N -1.300 118.699 120.200 -0.334 0.000 2.347 364 E HA -0.023 4.327 4.350 -0.000 0.000 0.196 364 E C 0.753 177.070 176.600 -0.472 0.000 1.008 364 E CA 0.574 56.703 56.400 -0.451 0.000 0.852 364 E CB -0.064 29.234 29.700 -0.670 0.000 0.783 364 E HN 0.507 nan 8.360 nan 0.000 0.505 365 F N -0.154 119.833 119.950 0.061 0.000 2.656 365 F HA 0.268 4.795 4.527 -0.000 0.000 0.291 365 F C 0.909 176.737 175.800 0.047 0.000 1.122 365 F CA 0.003 58.034 58.000 0.051 0.000 1.427 365 F CB 0.550 39.582 39.000 0.052 0.000 1.125 365 F HN -0.310 nan 8.300 nan 0.000 0.583 366 R N -0.342 120.263 120.500 0.175 0.000 2.698 366 R HA 0.533 4.873 4.340 -0.000 0.000 0.275 366 R C -0.853 175.483 176.300 0.061 0.000 1.001 366 R CA -0.589 55.581 56.100 0.118 0.000 0.896 366 R CB 2.180 32.562 30.300 0.136 0.000 1.218 366 R HN -0.034 nan 8.270 nan 0.000 0.462 367 T N -1.907 112.660 114.554 0.022 0.000 2.883 367 T HA 0.730 5.080 4.350 -0.000 0.000 0.296 367 T C -0.054 174.657 174.700 0.018 0.000 1.117 367 T CA -0.912 61.209 62.100 0.035 0.000 1.006 367 T CB 1.873 70.667 68.868 -0.123 0.000 1.191 367 T HN 0.641 nan 8.240 nan 0.000 0.508 368 A N 0.648 123.391 122.820 -0.129 0.000 2.386 368 A HA 0.800 5.120 4.320 -0.000 0.000 0.246 368 A C 0.476 177.967 177.584 -0.154 0.000 1.089 368 A CA -0.114 51.754 52.037 -0.281 0.000 0.790 368 A CB -0.481 18.051 19.000 -0.780 0.000 1.042 368 A HN 1.793 nan 8.150 nan 0.000 0.497 369 A N -0.439 122.407 122.820 0.042 0.000 2.587 369 A HA 0.666 4.986 4.320 -0.000 0.000 0.293 369 A C -1.334 176.346 177.584 0.159 0.000 1.087 369 A CA -0.411 51.675 52.037 0.081 0.000 0.692 369 A CB 1.470 20.489 19.000 0.032 0.000 1.291 369 A HN 1.426 nan 8.150 nan 0.000 0.407 370 V N 1.512 121.482 119.914 0.094 0.000 2.488 370 V HA 0.532 4.652 4.120 -0.000 0.000 0.293 370 V C -0.647 175.383 176.094 -0.108 0.000 1.027 370 V CA -0.290 62.010 62.300 0.001 0.000 0.862 370 V CB 1.197 33.077 31.823 0.096 0.000 1.008 370 V HN 0.961 nan 8.190 nan 0.000 0.428 371 E N 2.306 122.346 120.200 -0.267 0.000 2.367 371 E HA 0.882 5.232 4.350 -0.000 0.000 0.273 371 E C -0.061 176.108 176.600 -0.718 0.000 0.903 371 E CA -0.716 55.480 56.400 -0.339 0.000 0.764 371 E CB 2.985 32.645 29.700 -0.067 0.000 1.252 371 E HN 0.888 nan 8.360 nan 0.000 0.446 372 G N 1.206 109.428 108.800 -0.963 0.000 2.430 372 G HA2 0.420 4.380 3.960 -0.000 0.000 0.300 372 G HA3 0.420 4.380 3.960 -0.000 0.000 0.300 372 G C -2.979 171.532 174.900 -0.648 0.000 1.330 372 G CA -0.748 43.550 45.100 -1.337 0.000 0.813 372 G HN 0.376 nan 8.290 nan 0.000 0.487 373 P HA 0.755 nan 4.420 nan 0.000 0.283 373 P C -1.565 175.319 177.300 -0.693 0.000 1.271 373 P CA -0.577 62.283 63.100 -0.400 0.000 0.841 373 P CB 1.549 33.312 31.700 0.106 0.000 1.122 374 F N -0.881 119.103 119.950 0.057 0.000 2.507 374 F HA 0.264 4.791 4.527 -0.000 0.000 0.325 374 F C 0.286 176.126 175.800 0.067 0.000 1.116 374 F CA -1.171 56.871 58.000 0.070 0.000 0.930 374 F CB 1.932 41.003 39.000 0.118 0.000 1.146 374 F HN -0.078 nan 8.300 nan 0.000 0.447 375 V N 2.774 122.805 119.914 0.195 0.000 2.479 375 V HA 0.265 4.385 4.120 -0.000 0.000 0.281 375 V C -0.049 176.116 176.094 0.120 0.000 1.031 375 V CA 0.283 62.661 62.300 0.130 0.000 1.038 375 V CB 0.524 32.400 31.823 0.089 0.000 0.981 375 V HN 0.838 nan 8.190 nan 0.000 0.478 376 T N 6.614 121.229 114.554 0.101 0.000 2.886 376 T HA 0.640 4.990 4.350 -0.000 0.000 0.292 376 T C -0.488 174.242 174.700 0.049 0.000 1.012 376 T CA -0.517 61.620 62.100 0.061 0.000 0.982 376 T CB 1.476 70.383 68.868 0.066 0.000 1.018 376 T HN 0.315 nan 8.240 nan 0.000 0.451 377 L N 1.752 122.992 121.223 0.028 0.000 2.334 377 L HA 0.481 4.821 4.340 -0.000 0.000 0.270 377 L C 0.064 176.948 176.870 0.023 0.000 1.018 377 L CA -0.979 53.877 54.840 0.026 0.000 0.811 377 L CB 0.810 42.880 42.059 0.018 0.000 1.271 377 L HN 0.659 nan 8.230 nan 0.000 0.443 378 D N 0.898 121.312 120.400 0.024 0.000 2.792 378 D HA -0.243 4.397 4.640 -0.000 0.000 0.231 378 D C 1.224 177.541 176.300 0.029 0.000 1.160 378 D CA 0.909 54.922 54.000 0.022 0.000 0.697 378 D CB -0.659 40.149 40.800 0.013 0.000 1.070 378 D HN 0.575 nan 8.370 nan 0.000 0.426 379 M N -0.465 119.158 119.600 0.038 0.000 2.202 379 M HA -0.204 4.276 4.480 -0.000 0.000 0.262 379 M C 2.200 178.532 176.300 0.052 0.000 1.063 379 M CA 1.768 57.096 55.300 0.047 0.000 1.097 379 M CB -0.214 32.420 32.600 0.056 0.000 1.382 379 M HN 0.143 nan 8.290 nan 0.000 0.413 380 E N 0.965 121.194 120.200 0.048 0.000 2.130 380 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 380 E C 1.119 177.745 176.600 0.044 0.000 0.998 380 E CA 1.418 57.846 56.400 0.047 0.000 0.806 380 E CB 0.017 29.738 29.700 0.036 0.000 0.738 380 E HN 0.453 nan 8.360 nan 0.000 0.459 381 D N -0.196 120.226 120.400 0.036 0.000 2.378 381 D HA -0.107 4.533 4.640 -0.000 0.000 0.222 381 D C 1.483 177.811 176.300 0.046 0.000 0.980 381 D CA 0.513 54.532 54.000 0.031 0.000 0.907 381 D CB -0.125 40.686 40.800 0.018 0.000 0.899 381 D HN 0.326 nan 8.370 nan 0.000 0.527 382 c N 0.757 119.394 118.600 0.061 0.000 2.481 382 c HA 0.157 4.727 4.570 -0.000 0.000 0.275 382 c C 1.664 175.827 174.090 0.121 0.000 1.419 382 c CA -0.326 56.052 56.329 0.083 0.000 1.773 382 c CB -0.926 41.641 42.510 0.094 0.000 1.862 382 c HN 0.209 nan 8.230 nan 0.000 0.530 383 G N -0.862 108.007 108.800 0.115 0.000 2.403 383 G HA2 0.388 4.348 3.960 -0.000 0.000 0.259 383 G HA3 0.388 4.348 3.960 -0.000 0.000 0.259 383 G C -0.943 174.063 174.900 0.177 0.000 1.244 383 G CA 0.028 45.217 45.100 0.149 0.000 0.849 383 G HN 0.427 nan 8.290 nan 0.000 0.532 384 Y N 2.696 123.058 120.300 0.105 0.000 2.310 384 Y HA 0.408 4.958 4.550 -0.000 0.000 0.326 384 Y C 0.272 176.228 175.900 0.094 0.000 1.151 384 Y CA -0.719 57.450 58.100 0.116 0.000 1.195 384 Y CB 0.957 39.522 38.460 0.174 0.000 1.210 384 Y HN 0.496 nan 8.280 nan 0.000 0.483 385 N N 0.000 118.305 118.700 -0.658 0.000 1.763 385 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 385 N CA 0.000 52.783 53.050 -0.445 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