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 3p4s_1_A DATA FIRST_RESID 0 DATA SEQUENCE MQTFQADLAI VGAGGAGLRA AIAAAQANPN AKIALISKVY PMRSHTVAAE DATA SEQUENCE GGSAAVAQDH DSFEYHFHDT VAGGDWLCEQ DVVDYFVHHC PTEMTQLELW DATA SEQUENCE GCPWSRRPDG SVNVRRFGGM KIERTWFAAD KTGFHMLHTL FQTSLQFPQI DATA SEQUENCE QRFDEHFVLD ILVDDGHVRG LVAMNMMEGT LVQIRANAVV MATGGAGRVY DATA SEQUENCE RYNTNGGIVT GDGMGMALSH GVPLRDMEFV QYHPTGLPGS GILMTEGCRG DATA SEQUENCE EGGILVNKNG YRYLQDYGMG PETPLGEPKN KYMELGPRDK VSQAFWHEWR DATA SEQUENCE KGNTISTPRG DVVYLDLRHL GEKKLHERLP FICELAKAYV GVDPVKEPIP DATA SEQUENCE VRPTAHYTMG GIETDQNCET RIKGLFAVGE CSSVGLHGAN RLGSNSLAEL DATA SEQUENCE VVFGRLAGEQ ATERAATAGN GNEAAIEAQA AGVEQRLKDL VNQDGGENWA DATA SEQUENCE KIRDEMGLAM EEGCGIYRTP ELMQKTIDKL AELQERFKRV RITDTSSVFN DATA SEQUENCE TDLLYTIELG HGLNVAECMA HSAMARKESR GAHQRLDEGC TERDDVNFLK DATA SEQUENCE HTLAFRDADG TTRLEYSDVK ITTLPPA 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.325 176.300 0.042 0.000 1.140 0 M CA 0.000 55.327 55.300 0.046 0.000 0.988 0 M CB 0.000 32.628 32.600 0.047 0.000 1.302 1 Q N 2.038 121.878 119.800 0.067 0.000 2.304 1 Q HA 0.426 4.764 4.340 -0.003 0.000 0.260 1 Q C -0.880 175.151 176.000 0.052 0.000 0.965 1 Q CA 0.376 56.199 55.803 0.034 0.000 0.898 1 Q CB 1.180 29.960 28.738 0.070 0.000 1.196 1 Q HN 0.625 nan 8.270 nan 0.000 0.402 2 T N 3.391 117.906 114.554 -0.065 0.000 2.929 2 T HA 0.568 4.916 4.350 -0.003 0.000 0.284 2 T C -0.936 173.657 174.700 -0.178 0.000 1.014 2 T CA -0.297 61.789 62.100 -0.022 0.000 1.051 2 T CB 0.532 69.384 68.868 -0.027 0.000 1.028 2 T HN 0.381 nan 8.240 nan 0.000 0.485 3 F N 0.859 120.836 119.950 0.045 0.000 2.576 3 F HA 0.419 4.941 4.527 -0.008 0.000 0.313 3 F C -0.029 175.794 175.800 0.039 0.000 1.078 3 F CA -1.066 56.974 58.000 0.066 0.000 0.921 3 F CB 2.176 41.248 39.000 0.120 0.000 1.232 3 F HN 0.222 nan 8.300 nan 0.000 0.459 4 Q N 2.157 122.105 119.800 0.247 0.000 2.293 4 Q HA 0.817 5.155 4.340 -0.003 0.000 0.261 4 Q C -0.987 175.108 176.000 0.159 0.000 0.960 4 Q CA -0.686 55.206 55.803 0.147 0.000 0.882 4 Q CB 2.080 30.870 28.738 0.087 0.000 1.275 4 Q HN 0.750 nan 8.270 nan 0.000 0.445 5 A N 2.127 125.008 122.820 0.101 0.000 2.589 5 A HA 0.366 4.684 4.320 -0.003 0.000 0.296 5 A C -0.060 177.552 177.584 0.046 0.000 1.062 5 A CA -0.576 51.507 52.037 0.077 0.000 0.686 5 A CB 1.108 20.147 19.000 0.065 0.000 1.282 5 A HN 0.613 nan 8.150 nan 0.000 0.404 6 D N 0.087 120.508 120.400 0.036 0.000 2.117 6 D HA 0.017 4.655 4.640 -0.003 0.000 0.198 6 D C 0.648 176.961 176.300 0.022 0.000 0.982 6 D CA 2.389 56.404 54.000 0.026 0.000 0.828 6 D CB 0.017 40.828 40.800 0.018 0.000 0.967 6 D HN 0.646 nan 8.370 nan 0.000 0.464 7 L N -3.458 117.771 121.223 0.009 0.000 2.465 7 L HA 0.763 5.101 4.340 -0.003 0.000 0.257 7 L C -1.548 175.311 176.870 -0.018 0.000 0.988 7 L CA -1.210 53.630 54.840 0.001 0.000 0.827 7 L CB 2.500 44.551 42.059 -0.013 0.000 1.397 7 L HN -0.267 nan 8.230 nan 0.000 0.410 8 A N 2.643 125.446 122.820 -0.030 0.000 2.318 8 A HA 0.861 5.180 4.320 -0.003 0.000 0.317 8 A C -0.767 176.780 177.584 -0.061 0.000 1.159 8 A CA -0.452 51.546 52.037 -0.066 0.000 0.799 8 A CB 0.882 19.819 19.000 -0.104 0.000 1.194 8 A HN 0.690 nan 8.150 nan 0.000 0.479 9 I N 2.840 123.370 120.570 -0.066 0.000 2.339 9 I HA 0.319 4.488 4.170 -0.003 0.000 0.290 9 I C -0.659 175.414 176.117 -0.074 0.000 0.994 9 I CA -0.817 60.448 61.300 -0.057 0.000 1.191 9 I CB 1.955 39.928 38.000 -0.045 0.000 1.343 9 I HN 0.311 nan 8.210 nan 0.000 0.458 10 V N 5.514 125.380 119.914 -0.080 0.000 2.333 10 V HA 0.797 4.915 4.120 -0.003 0.000 0.274 10 V C 0.445 176.487 176.094 -0.087 0.000 1.028 10 V CA -0.428 61.811 62.300 -0.103 0.000 0.851 10 V CB 0.495 32.240 31.823 -0.129 0.000 1.000 10 V HN 1.062 nan 8.190 nan 0.000 0.456 11 G N 3.899 112.653 108.800 -0.077 0.000 3.187 11 G HA2 0.335 4.294 3.960 -0.003 0.000 0.682 11 G HA3 0.335 4.294 3.960 -0.003 0.000 0.682 11 G C -0.127 174.756 174.900 -0.028 0.000 1.266 11 G CA -0.243 44.822 45.100 -0.059 0.000 0.902 11 G HN 1.267 nan 8.290 nan 0.000 0.589 12 A N 1.350 124.157 122.820 -0.021 0.000 2.460 12 A HA 0.733 5.052 4.320 -0.003 0.000 0.258 12 A C 1.556 179.138 177.584 -0.004 0.000 1.300 12 A CA 1.254 53.288 52.037 -0.004 0.000 0.913 12 A CB -0.181 18.812 19.000 -0.012 0.000 1.031 12 A HN 2.125 nan 8.150 nan 0.000 0.512 13 G N -1.279 107.522 108.800 0.003 0.000 2.611 13 G HA2 0.372 4.331 3.960 -0.003 0.000 0.273 13 G HA3 0.372 4.331 3.960 -0.003 0.000 0.273 13 G C 1.169 176.089 174.900 0.033 0.000 1.305 13 G CA 0.043 45.153 45.100 0.017 0.000 1.010 13 G HN 0.456 nan 8.290 nan 0.000 0.509 14 G N -0.199 108.630 108.800 0.047 0.000 2.476 14 G HA2 -0.034 3.925 3.960 -0.003 0.000 0.218 14 G HA3 -0.034 3.925 3.960 -0.003 0.000 0.218 14 G C 1.980 176.929 174.900 0.081 0.000 1.164 14 G CA 1.928 47.069 45.100 0.068 0.000 0.768 14 G HN 0.953 nan 8.290 nan 0.000 0.560 15 A N 0.777 123.646 122.820 0.081 0.000 1.898 15 A HA 0.193 4.512 4.320 -0.003 0.000 0.216 15 A C 2.740 180.357 177.584 0.056 0.000 1.181 15 A CA 2.068 54.157 52.037 0.087 0.000 0.620 15 A CB -1.110 17.945 19.000 0.091 0.000 0.819 15 A HN 0.562 nan 8.150 nan 0.000 0.442 16 G N -0.174 108.647 108.800 0.035 0.000 2.446 16 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.217 16 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.217 16 G C 1.582 176.488 174.900 0.010 0.000 1.168 16 G CA 1.077 46.184 45.100 0.012 0.000 0.771 16 G HN 0.417 nan 8.290 nan 0.000 0.551 17 L N -0.349 120.891 121.223 0.028 0.000 2.046 17 L HA -0.025 4.313 4.340 -0.003 0.000 0.208 17 L C 2.949 179.820 176.870 0.001 0.000 1.077 17 L CA 1.122 55.977 54.840 0.024 0.000 0.747 17 L CB -0.249 41.846 42.059 0.059 0.000 0.896 17 L HN 0.147 nan 8.230 nan 0.000 0.432 18 R N 0.525 121.050 120.500 0.042 0.000 2.096 18 R HA -0.137 4.202 4.340 -0.003 0.000 0.235 18 R C 2.103 178.413 176.300 0.016 0.000 1.127 18 R CA 1.669 57.809 56.100 0.067 0.000 0.968 18 R CB -0.558 29.811 30.300 0.116 0.000 0.861 18 R HN 0.346 nan 8.270 nan 0.000 0.440 19 A N -0.140 122.677 122.820 -0.005 0.000 1.929 19 A HA 0.081 4.399 4.320 -0.003 0.000 0.216 19 A C 2.323 179.855 177.584 -0.086 0.000 1.176 19 A CA 1.409 53.421 52.037 -0.042 0.000 0.628 19 A CB -0.888 18.087 19.000 -0.042 0.000 0.816 19 A HN 0.437 nan 8.150 nan 0.000 0.444 20 A N 0.273 123.040 122.820 -0.089 0.000 1.858 20 A HA -0.106 4.212 4.320 -0.003 0.000 0.216 20 A C 2.104 179.547 177.584 -0.236 0.000 1.190 20 A CA 1.592 53.551 52.037 -0.130 0.000 0.617 20 A CB -0.688 18.253 19.000 -0.097 0.000 0.827 20 A HN 0.475 nan 8.150 nan 0.000 0.443 21 I N -0.096 120.304 120.570 -0.282 0.000 2.163 21 I HA -0.317 3.851 4.170 -0.003 0.000 0.243 21 I C 2.982 178.883 176.117 -0.361 0.000 1.085 21 I CA 1.197 62.200 61.300 -0.496 0.000 1.347 21 I CB -0.371 37.377 38.000 -0.421 0.000 1.044 21 I HN 0.362 nan 8.210 nan 0.000 0.408 22 A N 0.632 123.358 122.820 -0.156 0.000 1.908 22 A HA -0.190 4.128 4.320 -0.003 0.000 0.218 22 A C 2.516 180.030 177.584 -0.117 0.000 1.181 22 A CA 2.042 54.029 52.037 -0.083 0.000 0.627 22 A CB -0.888 18.090 19.000 -0.037 0.000 0.818 22 A HN 0.452 nan 8.150 nan 0.000 0.445 23 A N -0.439 122.296 122.820 -0.141 0.000 1.929 23 A HA 0.268 4.587 4.320 -0.003 0.000 0.216 23 A C 2.435 179.943 177.584 -0.126 0.000 1.176 23 A CA 1.735 53.698 52.037 -0.122 0.000 0.628 23 A CB -0.844 18.087 19.000 -0.117 0.000 0.816 23 A HN 1.036 nan 8.150 nan 0.000 0.444 24 A N -0.737 121.959 122.820 -0.207 0.000 2.015 24 A HA -0.145 4.174 4.320 -0.003 0.000 0.219 24 A C 2.091 179.599 177.584 -0.127 0.000 1.163 24 A CA 1.460 53.375 52.037 -0.203 0.000 0.646 24 A CB -0.365 18.393 19.000 -0.403 0.000 0.806 24 A HN 0.651 nan 8.150 nan 0.000 0.448 25 Q N -0.989 118.722 119.800 -0.149 0.000 2.204 25 Q HA 0.091 4.429 4.340 -0.003 0.000 0.198 25 Q C 2.395 178.397 176.000 0.004 0.000 0.946 25 Q CA 0.865 56.659 55.803 -0.015 0.000 0.859 25 Q CB -0.238 28.510 28.738 0.017 0.000 0.946 25 Q HN 0.640 nan 8.270 nan 0.000 0.474 26 A N 1.548 124.354 122.820 -0.024 0.000 1.933 26 A HA -0.124 4.195 4.320 -0.003 0.000 0.218 26 A C 0.952 178.532 177.584 -0.007 0.000 1.175 26 A CA 1.211 53.239 52.037 -0.015 0.000 0.628 26 A CB -0.075 18.905 19.000 -0.033 0.000 0.814 26 A HN 0.274 nan 8.150 nan 0.000 0.444 27 N N -1.802 116.890 118.700 -0.013 0.000 2.533 27 N HA 0.374 5.112 4.740 -0.003 0.000 0.289 27 N C -2.759 172.757 175.510 0.010 0.000 1.103 27 N CA -1.957 51.093 53.050 0.000 0.000 0.877 27 N CB 1.718 40.202 38.487 -0.004 0.000 1.419 27 N HN -0.228 nan 8.380 nan 0.000 0.517 28 P HA 0.033 nan 4.420 nan 0.000 0.221 28 P C 0.232 177.556 177.300 0.039 0.000 1.150 28 P CA 0.978 64.107 63.100 0.049 0.000 0.800 28 P CB 0.301 32.031 31.700 0.051 0.000 0.787 29 N N -0.744 117.972 118.700 0.026 0.000 2.336 29 N HA 0.126 4.864 4.740 -0.003 0.000 0.189 29 N C 0.599 176.122 175.510 0.021 0.000 1.113 29 N CA -0.056 53.008 53.050 0.023 0.000 0.858 29 N CB 0.226 38.724 38.487 0.019 0.000 0.970 29 N HN 0.075 nan 8.380 nan 0.000 0.471 30 A N 1.360 124.189 122.820 0.016 0.000 2.466 30 A HA 0.099 4.417 4.320 -0.003 0.000 0.238 30 A C 0.585 178.181 177.584 0.019 0.000 1.074 30 A CA 0.255 52.299 52.037 0.012 0.000 0.774 30 A CB 0.553 19.551 19.000 -0.004 0.000 1.015 30 A HN -0.064 nan 8.150 nan 0.000 0.498 31 K N 2.234 122.649 120.400 0.025 0.000 2.367 31 K HA 0.500 4.819 4.320 -0.003 0.000 0.263 31 K C -1.471 175.150 176.600 0.036 0.000 1.000 31 K CA -0.065 56.245 56.287 0.039 0.000 0.891 31 K CB 0.439 32.973 32.500 0.057 0.000 1.117 31 K HN 0.633 nan 8.250 nan 0.000 0.443 32 I N 2.881 123.468 120.570 0.029 0.000 2.362 32 I HA 0.295 4.463 4.170 -0.003 0.000 0.289 32 I C 0.078 176.223 176.117 0.047 0.000 0.994 32 I CA -0.911 60.398 61.300 0.016 0.000 1.158 32 I CB 1.919 39.909 38.000 -0.017 0.000 1.315 32 I HN 0.491 nan 8.210 nan 0.000 0.451 33 A N 7.213 130.058 122.820 0.042 0.000 2.260 33 A HA 0.588 4.906 4.320 -0.003 0.000 0.312 33 A C -0.781 176.816 177.584 0.021 0.000 1.321 33 A CA -0.362 51.723 52.037 0.081 0.000 0.928 33 A CB 0.444 19.401 19.000 -0.071 0.000 1.158 33 A HN 0.616 nan 8.150 nan 0.000 0.542 34 L N 4.793 126.074 121.223 0.095 0.000 2.277 34 L HA 0.604 4.943 4.340 -0.003 0.000 0.284 34 L C -0.937 175.973 176.870 0.067 0.000 1.028 34 L CA -0.178 54.690 54.840 0.047 0.000 0.835 34 L CB 0.414 42.502 42.059 0.047 0.000 1.215 34 L HN 0.572 nan 8.230 nan 0.000 0.425 35 I N 3.764 124.315 120.570 -0.030 0.000 2.437 35 I HA 0.686 4.855 4.170 -0.003 0.000 0.298 35 I C 0.198 176.291 176.117 -0.041 0.000 0.984 35 I CA -0.095 61.172 61.300 -0.056 0.000 1.214 35 I CB 1.842 39.733 38.000 -0.181 0.000 1.365 35 I HN 0.589 nan 8.210 nan 0.000 0.469 36 S N 3.344 119.036 115.700 -0.013 0.000 2.535 36 S HA 0.327 4.795 4.470 -0.003 0.000 0.272 36 S C 0.269 174.861 174.600 -0.014 0.000 1.149 36 S CA -0.881 57.298 58.200 -0.034 0.000 0.888 36 S CB 1.204 64.387 63.200 -0.029 0.000 1.110 36 S HN 0.765 nan 8.310 nan 0.000 0.463 37 K N 1.780 122.163 120.400 -0.029 0.000 2.432 37 K HA 0.169 4.487 4.320 -0.003 0.000 0.196 37 K C 0.724 177.347 176.600 0.038 0.000 1.038 37 K CA 0.811 57.118 56.287 0.034 0.000 0.986 37 K CB -0.336 32.217 32.500 0.089 0.000 0.782 37 K HN 0.502 nan 8.250 nan 0.000 0.485 38 V N -2.489 117.429 119.914 0.008 0.000 3.126 38 V HA 0.423 4.541 4.120 -0.003 0.000 0.314 38 V C -0.655 175.400 176.094 -0.065 0.000 1.138 38 V CA -1.588 60.723 62.300 0.017 0.000 1.034 38 V CB 0.725 32.599 31.823 0.085 0.000 1.075 38 V HN 0.051 nan 8.190 nan 0.000 0.442 39 Y N 1.928 122.242 120.300 0.023 0.000 2.610 39 Y HA 0.221 4.770 4.550 -0.001 0.000 0.332 39 Y C -1.328 174.468 175.900 -0.173 0.000 1.201 39 Y CA -0.349 57.715 58.100 -0.060 0.000 1.465 39 Y CB 0.581 39.003 38.460 -0.064 0.000 1.283 39 Y HN 0.514 nan 8.280 nan 0.000 0.563 40 P HA -0.317 nan 4.420 nan 0.000 0.216 40 P C 1.644 178.715 177.300 -0.380 0.000 1.154 40 P CA 2.067 64.991 63.100 -0.293 0.000 0.865 40 P CB 0.000 31.424 31.700 -0.461 0.000 0.789 41 M N -2.267 116.989 119.600 -0.573 0.000 2.549 41 M HA 0.017 4.495 4.480 -0.003 0.000 0.260 41 M C 1.120 177.345 176.300 -0.126 0.000 1.076 41 M CA 1.739 56.753 55.300 -0.477 0.000 1.090 41 M CB -1.042 31.173 32.600 -0.642 0.000 1.418 41 M HN -0.197 nan 8.290 nan 0.000 0.486 42 R N 1.279 121.752 120.500 -0.046 0.000 2.310 42 R HA 0.288 4.626 4.340 -0.003 0.000 0.202 42 R C 0.342 176.683 176.300 0.068 0.000 0.933 42 R CA 0.022 56.157 56.100 0.058 0.000 1.054 42 R CB -0.210 30.151 30.300 0.102 0.000 0.985 42 R HN 0.376 nan 8.270 nan 0.000 0.489 43 S N 0.127 115.841 115.700 0.024 0.000 2.566 43 S HA -0.093 4.376 4.470 -0.003 0.000 0.280 43 S C 0.890 175.553 174.600 0.105 0.000 1.343 43 S CA -0.170 58.061 58.200 0.052 0.000 1.036 43 S CB 0.568 63.776 63.200 0.013 0.000 0.866 43 S HN 0.369 nan 8.310 nan 0.000 0.526 44 H N 1.935 121.013 119.070 0.014 0.000 2.521 44 H HA -0.019 4.535 4.556 -0.003 0.000 0.286 44 H C 1.774 177.120 175.328 0.031 0.000 1.034 44 H CA 1.801 57.861 56.048 0.019 0.000 1.278 44 H CB -0.497 29.264 29.762 -0.002 0.000 1.386 44 H HN 0.611 nan 8.280 nan 0.000 0.567 45 T N -0.712 113.828 114.554 -0.023 0.000 2.869 45 T HA -0.163 4.186 4.350 -0.003 0.000 0.270 45 T C 2.140 176.807 174.700 -0.055 0.000 1.082 45 T CA 1.098 63.168 62.100 -0.050 0.000 1.123 45 T CB -0.573 68.306 68.868 0.019 0.000 0.856 45 T HN 0.224 nan 8.240 nan 0.000 0.499 46 V N 1.121 121.026 119.914 -0.015 0.000 2.828 46 V HA -0.088 4.031 4.120 -0.003 0.000 0.260 46 V C 2.327 178.426 176.094 0.008 0.000 1.101 46 V CA 1.594 63.934 62.300 0.066 0.000 1.123 46 V CB -0.685 31.231 31.823 0.155 0.000 0.704 46 V HN 0.552 nan 8.190 nan 0.000 0.493 47 A N -0.598 122.136 122.820 -0.144 0.000 2.195 47 A HA 0.573 4.891 4.320 -0.003 0.000 0.210 47 A C 1.338 178.823 177.584 -0.165 0.000 1.165 47 A CA 0.649 52.579 52.037 -0.179 0.000 0.806 47 A CB -0.310 18.520 19.000 -0.283 0.000 0.847 47 A HN 0.688 nan 8.150 nan 0.000 0.482 48 A N 0.109 122.852 122.820 -0.128 0.000 2.477 48 A HA 0.429 4.748 4.320 -0.003 0.000 0.246 48 A C 0.584 178.136 177.584 -0.055 0.000 1.078 48 A CA 0.323 52.323 52.037 -0.061 0.000 0.770 48 A CB 0.153 19.143 19.000 -0.017 0.000 1.011 48 A HN 0.490 nan 8.150 nan 0.000 0.494 49 E N 1.724 121.895 120.200 -0.047 0.000 2.391 49 E HA 0.104 4.452 4.350 -0.003 0.000 0.206 49 E C 1.954 178.530 176.600 -0.041 0.000 0.851 49 E CA 0.605 56.974 56.400 -0.051 0.000 1.059 49 E CB 0.267 29.923 29.700 -0.074 0.000 1.065 49 E HN 0.785 nan 8.360 nan 0.000 0.512 50 G N 0.936 109.649 108.800 -0.146 0.000 2.464 50 G HA2 0.261 4.219 3.960 -0.003 0.000 0.214 50 G HA3 0.261 4.219 3.960 -0.003 0.000 0.214 50 G C 0.737 175.296 174.900 -0.569 0.000 1.218 50 G CA 0.757 45.464 45.100 -0.657 0.000 0.794 50 G HN 0.459 nan 8.290 nan 0.000 0.542 51 G N -2.045 106.585 108.800 -0.282 0.000 2.359 51 G HA2 0.396 4.354 3.960 -0.003 0.000 0.293 51 G HA3 0.396 4.354 3.960 -0.003 0.000 0.293 51 G C -1.265 173.674 174.900 0.064 0.000 1.300 51 G CA 0.369 45.472 45.100 0.005 0.000 0.888 51 G HN 0.794 nan 8.290 nan 0.000 0.541 52 S N -0.703 115.097 115.700 0.166 0.000 2.552 52 S HA 0.719 5.188 4.470 -0.003 0.000 0.314 52 S C 0.355 174.961 174.600 0.011 0.000 1.099 52 S CA 0.501 58.763 58.200 0.103 0.000 1.070 52 S CB 0.828 64.115 63.200 0.145 0.000 0.998 52 S HN 1.970 nan 8.310 nan 0.000 0.474 53 A N 3.757 126.604 122.820 0.046 0.000 2.404 53 A HA 0.730 5.048 4.320 -0.003 0.000 0.273 53 A C 0.307 177.796 177.584 -0.158 0.000 1.144 53 A CA 0.002 52.041 52.037 0.002 0.000 0.806 53 A CB -0.290 18.779 19.000 0.114 0.000 1.080 53 A HN 1.370 nan 8.150 nan 0.000 0.509 54 A N 2.499 125.204 122.820 -0.191 0.000 2.589 54 A HA 0.601 4.919 4.320 -0.003 0.000 0.296 54 A C -0.774 176.801 177.584 -0.015 0.000 1.062 54 A CA -0.488 51.406 52.037 -0.239 0.000 0.686 54 A CB 0.963 19.615 19.000 -0.579 0.000 1.282 54 A HN 1.103 nan 8.150 nan 0.000 0.404 55 V N 1.248 121.076 119.914 -0.143 0.000 2.530 55 V HA 0.535 4.653 4.120 -0.003 0.000 0.282 55 V C 1.020 177.054 176.094 -0.100 0.000 1.048 55 V CA 0.945 63.110 62.300 -0.225 0.000 0.997 55 V CB 0.844 32.344 31.823 -0.540 0.000 0.987 55 V HN 1.507 nan 8.190 nan 0.000 0.477 56 A N 3.481 126.217 122.820 -0.139 0.000 2.167 56 A HA 0.250 4.569 4.320 -0.003 0.000 0.184 56 A C 0.710 178.169 177.584 -0.209 0.000 1.675 56 A CA -0.175 51.770 52.037 -0.153 0.000 1.215 56 A CB 0.229 19.057 19.000 -0.287 0.000 1.427 56 A HN 0.676 nan 8.150 nan 0.000 0.457 57 Q N 0.943 120.593 119.800 -0.249 0.000 2.340 57 Q HA 0.173 4.511 4.340 -0.003 0.000 0.249 57 Q C -0.247 175.612 176.000 -0.234 0.000 0.957 57 Q CA -0.453 55.195 55.803 -0.258 0.000 0.882 57 Q CB 0.905 29.417 28.738 -0.377 0.000 1.235 57 Q HN 0.290 nan 8.270 nan 0.000 0.439 58 D N 1.075 121.400 120.400 -0.126 0.000 2.116 58 D HA -0.195 4.443 4.640 -0.003 0.000 0.193 58 D C 1.542 177.823 176.300 -0.032 0.000 0.998 58 D CA 1.546 55.515 54.000 -0.051 0.000 0.836 58 D CB -0.081 40.728 40.800 0.015 0.000 0.951 58 D HN 0.654 nan 8.370 nan 0.000 0.449 59 H N -0.724 118.323 119.070 -0.040 0.000 2.547 59 H HA 0.102 4.657 4.556 -0.003 0.000 0.266 59 H C 0.166 175.492 175.328 -0.003 0.000 0.988 59 H CA 0.066 56.102 56.048 -0.019 0.000 1.147 59 H CB 0.072 29.810 29.762 -0.040 0.000 1.365 59 H HN -0.016 nan 8.280 nan 0.000 0.589 60 D N 1.294 121.498 120.400 -0.328 0.000 2.387 60 D HA 0.270 4.908 4.640 -0.003 0.000 0.251 60 D C -0.397 175.906 176.300 0.004 0.000 1.141 60 D CA -0.114 53.770 54.000 -0.193 0.000 0.987 60 D CB 2.047 42.657 40.800 -0.317 0.000 1.116 60 D HN 0.347 nan 8.370 nan 0.000 0.491 61 S N 0.107 115.884 115.700 0.129 0.000 2.550 61 S HA 0.279 4.747 4.470 -0.003 0.000 0.270 61 S C 0.433 174.968 174.600 -0.109 0.000 1.145 61 S CA -0.660 57.518 58.200 -0.036 0.000 0.852 61 S CB 0.397 63.560 63.200 -0.061 0.000 1.119 61 S HN 0.316 nan 8.310 nan 0.000 0.465 62 F N 1.435 121.356 119.950 -0.048 0.000 2.269 62 F HA 0.044 4.569 4.527 -0.003 0.000 0.301 62 F C 2.419 178.208 175.800 -0.018 0.000 1.082 62 F CA 1.358 59.295 58.000 -0.104 0.000 1.360 62 F CB -0.056 38.701 39.000 -0.405 0.000 1.041 62 F HN 0.711 nan 8.300 nan 0.000 0.512 63 E N -0.067 120.180 120.200 0.078 0.000 2.110 63 E HA -0.212 4.136 4.350 -0.003 0.000 0.193 63 E C 1.954 178.632 176.600 0.131 0.000 0.988 63 E CA 1.601 58.019 56.400 0.029 0.000 0.804 63 E CB -0.588 29.010 29.700 -0.170 0.000 0.745 63 E HN 0.545 nan 8.360 nan 0.000 0.458 64 Y N -0.764 119.636 120.300 0.165 0.000 2.145 64 Y HA -0.223 4.326 4.550 -0.003 0.000 0.286 64 Y C 2.669 178.708 175.900 0.231 0.000 1.145 64 Y CA 1.718 59.910 58.100 0.154 0.000 1.148 64 Y CB -0.380 38.119 38.460 0.065 0.000 0.981 64 Y HN 0.308 nan 8.280 nan 0.000 0.507 65 H N -0.881 118.340 119.070 0.252 0.000 2.389 65 H HA -0.221 4.334 4.556 -0.003 0.000 0.299 65 H C 2.123 177.588 175.328 0.229 0.000 1.081 65 H CA 1.303 57.467 56.048 0.193 0.000 1.345 65 H CB -0.221 29.616 29.762 0.125 0.000 1.393 65 H HN 0.398 nan 8.280 nan 0.000 0.520 66 F N 0.783 120.781 119.950 0.080 0.000 2.075 66 F HA -0.211 4.314 4.527 -0.003 0.000 0.297 66 F C 2.666 178.468 175.800 0.003 0.000 1.113 66 F CA 2.135 60.136 58.000 0.003 0.000 1.218 66 F CB -0.686 38.346 39.000 0.052 0.000 0.984 66 F HN 0.203 nan 8.300 nan 0.000 0.472 67 H N -0.285 118.848 119.070 0.104 0.000 2.387 67 H HA -0.135 4.419 4.556 -0.003 0.000 0.299 67 H C 1.914 177.166 175.328 -0.126 0.000 1.090 67 H CA 2.200 58.233 56.048 -0.026 0.000 1.332 67 H CB -0.421 29.433 29.762 0.154 0.000 1.386 67 H HN 0.221 nan 8.280 nan 0.000 0.516 68 D N -0.867 119.595 120.400 0.104 0.000 2.104 68 D HA -0.137 4.501 4.640 -0.003 0.000 0.194 68 D C 2.096 178.317 176.300 -0.132 0.000 0.994 68 D CA 1.839 55.867 54.000 0.046 0.000 0.830 68 D CB -0.509 40.390 40.800 0.166 0.000 0.959 68 D HN 0.396 nan 8.370 nan 0.000 0.452 69 T N 0.002 114.434 114.554 -0.202 0.000 2.770 69 T HA -0.062 4.286 4.350 -0.003 0.000 0.263 69 T C 2.208 176.637 174.700 -0.452 0.000 1.039 69 T CA 0.635 62.566 62.100 -0.282 0.000 1.142 69 T CB -0.292 68.398 68.868 -0.298 0.000 0.868 69 T HN -0.058 nan 8.240 nan 0.000 0.435 70 V N 1.712 121.221 119.914 -0.676 0.000 2.295 70 V HA -0.172 3.946 4.120 -0.003 0.000 0.246 70 V C 2.871 178.303 176.094 -1.102 0.000 1.049 70 V CA 1.820 63.587 62.300 -0.888 0.000 1.024 70 V CB -1.148 30.019 31.823 -1.093 0.000 0.648 70 V HN 0.521 nan 8.190 nan 0.000 0.447 71 A N 0.350 122.503 122.820 -1.112 0.000 1.902 71 A HA -0.102 4.217 4.320 -0.003 0.000 0.217 71 A C 2.400 179.712 177.584 -0.453 0.000 1.181 71 A CA 1.962 53.381 52.037 -1.030 0.000 0.623 71 A CB -1.218 17.419 19.000 -0.606 0.000 0.818 71 A HN 0.545 nan 8.150 nan 0.000 0.443 72 G N -0.799 107.808 108.800 -0.321 0.000 2.422 72 G HA2 0.096 4.054 3.960 -0.003 0.000 0.218 72 G HA3 0.096 4.054 3.960 -0.003 0.000 0.218 72 G C 1.315 176.117 174.900 -0.163 0.000 1.140 72 G CA 1.045 46.045 45.100 -0.167 0.000 0.775 72 G HN 0.761 nan 8.290 nan 0.000 0.545 73 G N -0.444 108.206 108.800 -0.250 0.000 2.920 73 G HA2 0.202 4.160 3.960 -0.003 0.000 0.208 73 G HA3 0.202 4.160 3.960 -0.003 0.000 0.208 73 G C 0.466 175.254 174.900 -0.187 0.000 1.159 73 G CA 0.620 45.589 45.100 -0.218 0.000 0.784 73 G HN 0.267 nan 8.290 nan 0.000 0.535 74 D N -1.110 119.214 120.400 -0.127 0.000 2.751 74 D HA -0.175 4.463 4.640 -0.003 0.000 0.233 74 D C 0.469 176.934 176.300 0.274 0.000 1.149 74 D CA 0.710 54.785 54.000 0.125 0.000 0.682 74 D CB -1.477 39.368 40.800 0.075 0.000 1.068 74 D HN 0.542 nan 8.370 nan 0.000 0.429 75 W N -1.645 119.575 121.300 -0.133 0.000 5.121 75 W HA -0.295 4.364 4.660 -0.003 0.000 0.372 75 W C 0.444 176.885 176.519 -0.129 0.000 1.394 75 W CA 0.091 57.364 57.345 -0.119 0.000 0.885 75 W CB -1.770 27.640 29.460 -0.082 0.000 2.520 75 W HN 0.304 nan 8.180 nan 0.000 1.455 76 L N 0.218 121.411 121.223 -0.051 0.000 3.017 76 L HA 0.175 4.513 4.340 -0.003 0.000 0.255 76 L C 0.712 177.549 176.870 -0.054 0.000 1.247 76 L CA 0.105 54.871 54.840 -0.122 0.000 1.038 76 L CB 0.006 41.935 42.059 -0.217 0.000 1.380 76 L HN -0.084 nan 8.230 nan 0.000 0.548 77 C N 0.223 119.477 119.300 -0.077 0.000 2.341 77 C HA 0.284 4.743 4.460 -0.003 0.000 0.338 77 C C 0.773 175.772 174.990 0.016 0.000 1.257 77 C CA -1.072 57.903 59.018 -0.071 0.000 1.883 77 C CB 1.153 28.757 27.740 -0.227 0.000 2.334 77 C HN 0.270 nan 8.230 nan 0.000 0.524 78 E N 2.365 122.598 120.200 0.056 0.000 2.081 78 E HA -0.001 4.348 4.350 -0.003 0.000 0.270 78 E C 0.960 177.606 176.600 0.078 0.000 1.180 78 E CA 0.366 56.816 56.400 0.082 0.000 0.926 78 E CB 0.415 30.145 29.700 0.049 0.000 1.035 78 E HN 0.701 nan 8.360 nan 0.000 0.418 79 Q N 1.505 121.372 119.800 0.112 0.000 2.170 79 Q HA -0.182 4.156 4.340 -0.003 0.000 0.203 79 Q C 1.309 177.487 176.000 0.297 0.000 0.976 79 Q CA 1.464 57.387 55.803 0.201 0.000 0.858 79 Q CB 0.163 29.056 28.738 0.259 0.000 0.907 79 Q HN 0.507 nan 8.270 nan 0.000 0.433 80 D N -0.112 120.411 120.400 0.204 0.000 2.224 80 D HA -0.100 4.538 4.640 -0.003 0.000 0.205 80 D C 1.777 178.212 176.300 0.226 0.000 0.965 80 D CA 0.695 54.809 54.000 0.191 0.000 0.852 80 D CB -0.288 40.588 40.800 0.126 0.000 0.947 80 D HN 0.075 nan 8.370 nan 0.000 0.494 81 V N 0.783 120.819 119.914 0.203 0.000 2.323 81 V HA -0.183 3.936 4.120 -0.003 0.000 0.244 81 V C 2.930 179.248 176.094 0.374 0.000 1.041 81 V CA 1.126 63.580 62.300 0.257 0.000 1.025 81 V CB -0.314 31.586 31.823 0.128 0.000 0.656 81 V HN 0.089 nan 8.190 nan 0.000 0.451 82 V N 0.742 120.812 119.914 0.261 0.000 2.324 82 V HA -0.322 3.797 4.120 -0.003 0.000 0.250 82 V C 2.417 178.809 176.094 0.497 0.000 1.060 82 V CA 2.431 64.898 62.300 0.278 0.000 1.042 82 V CB -0.759 31.077 31.823 0.021 0.000 0.650 82 V HN 0.645 nan 8.190 nan 0.000 0.450 83 D N -0.716 120.003 120.400 0.532 0.000 2.092 83 D HA -0.268 4.370 4.640 -0.003 0.000 0.193 83 D C 2.037 178.593 176.300 0.426 0.000 0.994 83 D CA 1.866 56.129 54.000 0.439 0.000 0.828 83 D CB -0.327 40.623 40.800 0.251 0.000 0.963 83 D HN 0.552 nan 8.370 nan 0.000 0.450 84 Y N -0.213 120.252 120.300 0.275 0.000 2.165 84 Y HA -0.243 4.306 4.550 -0.001 0.000 0.286 84 Y C 2.147 178.197 175.900 0.251 0.000 1.155 84 Y CA 2.095 60.318 58.100 0.205 0.000 1.164 84 Y CB -0.650 37.849 38.460 0.064 0.000 0.978 84 Y HN 0.050 nan 8.280 nan 0.000 0.513 85 F N 0.618 120.754 119.950 0.311 0.000 2.046 85 F HA -0.252 4.273 4.527 -0.003 0.000 0.297 85 F C 2.409 178.304 175.800 0.158 0.000 1.123 85 F CA 2.551 60.692 58.000 0.234 0.000 1.199 85 F CB -1.166 38.059 39.000 0.376 0.000 0.972 85 F HN -0.032 nan 8.300 nan 0.000 0.474 86 V N -1.213 118.703 119.914 0.004 0.000 2.324 86 V HA -0.327 3.791 4.120 -0.003 0.000 0.250 86 V C 2.392 178.472 176.094 -0.023 0.000 1.060 86 V CA 2.435 64.712 62.300 -0.039 0.000 1.042 86 V CB -1.491 30.434 31.823 0.170 0.000 0.650 86 V HN 0.497 nan 8.190 nan 0.000 0.450 87 H N -0.229 118.755 119.070 -0.143 0.000 2.524 87 H HA -0.009 4.545 4.556 -0.003 0.000 0.282 87 H C 1.847 176.863 175.328 -0.521 0.000 1.016 87 H CA 1.958 57.690 56.048 -0.527 0.000 1.270 87 H CB 0.033 29.432 29.762 -0.605 0.000 1.394 87 H HN 0.659 nan 8.280 nan 0.000 0.568 88 H N -2.112 116.755 119.070 -0.338 0.000 2.705 88 H HA 0.095 4.650 4.556 -0.002 0.000 0.269 88 H C 2.140 177.294 175.328 -0.289 0.000 0.998 88 H CA -0.113 55.722 56.048 -0.356 0.000 1.193 88 H CB 0.261 29.706 29.762 -0.528 0.000 1.485 88 H HN 0.169 nan 8.280 nan 0.000 0.521 89 C N 1.167 120.332 119.300 -0.225 0.000 2.432 89 C HA -0.087 4.372 4.460 -0.003 0.000 0.277 89 C C -0.091 174.729 174.990 -0.284 0.000 1.249 89 C CA 0.956 59.803 59.018 -0.285 0.000 1.725 89 C CB -0.891 26.639 27.740 -0.351 0.000 2.028 89 C HN 0.473 nan 8.230 nan 0.000 0.477 90 P HA -0.097 nan 4.420 nan 0.000 0.215 90 P C 1.548 178.742 177.300 -0.176 0.000 1.157 90 P CA 2.140 65.168 63.100 -0.121 0.000 0.868 90 P CB -0.384 31.352 31.700 0.061 0.000 0.788 91 T N -0.191 114.274 114.554 -0.149 0.000 2.665 91 T HA -0.174 4.174 4.350 -0.003 0.000 0.268 91 T C 1.600 176.183 174.700 -0.195 0.000 1.035 91 T CA 1.377 63.385 62.100 -0.152 0.000 1.151 91 T CB -0.717 68.059 68.868 -0.154 0.000 0.862 91 T HN 0.150 nan 8.240 nan 0.000 0.438 92 E N 0.448 120.521 120.200 -0.211 0.000 2.072 92 E HA 0.069 4.417 4.350 -0.003 0.000 0.190 92 E C 2.139 178.578 176.600 -0.268 0.000 0.982 92 E CA 0.761 57.037 56.400 -0.207 0.000 0.803 92 E CB -0.339 29.284 29.700 -0.128 0.000 0.755 92 E HN 0.339 nan 8.360 nan 0.000 0.453 93 M N 0.267 119.597 119.600 -0.449 0.000 2.132 93 M HA -0.083 4.395 4.480 -0.003 0.000 0.263 93 M C 2.140 178.183 176.300 -0.429 0.000 1.065 93 M CA 1.423 56.328 55.300 -0.660 0.000 1.122 93 M CB -0.845 30.720 32.600 -1.726 0.000 1.365 93 M HN -0.012 nan 8.290 nan 0.000 0.411 94 T N -0.667 113.670 114.554 -0.361 0.000 2.708 94 T HA -0.218 4.130 4.350 -0.003 0.000 0.266 94 T C 1.726 176.362 174.700 -0.105 0.000 1.037 94 T CA 1.643 63.712 62.100 -0.053 0.000 1.146 94 T CB -0.288 68.576 68.868 -0.007 0.000 0.865 94 T HN 0.327 nan 8.240 nan 0.000 0.435 95 Q N 0.795 120.438 119.800 -0.261 0.000 2.135 95 Q HA -0.020 4.318 4.340 -0.003 0.000 0.204 95 Q C 2.054 177.663 176.000 -0.652 0.000 0.981 95 Q CA 1.431 56.918 55.803 -0.526 0.000 0.856 95 Q CB -0.711 27.642 28.738 -0.642 0.000 0.902 95 Q HN 0.525 nan 8.270 nan 0.000 0.425 96 L N 0.150 121.203 121.223 -0.283 0.000 2.056 96 L HA -0.152 4.186 4.340 -0.003 0.000 0.207 96 L C 2.597 179.551 176.870 0.140 0.000 1.078 96 L CA 1.461 56.306 54.840 0.008 0.000 0.749 96 L CB -0.502 41.684 42.059 0.211 0.000 0.901 96 L HN 0.362 nan 8.230 nan 0.000 0.433 97 E N 0.630 121.008 120.200 0.297 0.000 2.077 97 E HA -0.226 4.122 4.350 -0.003 0.000 0.193 97 E C 2.268 178.949 176.600 0.136 0.000 0.989 97 E CA 1.338 57.935 56.400 0.328 0.000 0.800 97 E CB -0.096 29.886 29.700 0.469 0.000 0.746 97 E HN 0.488 nan 8.360 nan 0.000 0.452 98 L N -0.545 120.690 121.223 0.019 0.000 2.083 98 L HA -0.177 4.161 4.340 -0.003 0.000 0.209 98 L C 2.336 179.269 176.870 0.106 0.000 1.083 98 L CA 0.931 55.764 54.840 -0.012 0.000 0.752 98 L CB -0.524 41.453 42.059 -0.136 0.000 0.899 98 L HN 0.263 nan 8.230 nan 0.000 0.433 99 W N -0.022 121.315 121.300 0.061 0.000 2.937 99 W HA 0.188 4.846 4.660 -0.003 0.000 0.245 99 W C 1.460 177.987 176.519 0.013 0.000 1.306 99 W CA 0.961 58.329 57.345 0.039 0.000 1.470 99 W CB -0.738 28.750 29.460 0.047 0.000 1.132 99 W HN 0.352 nan 8.180 nan 0.000 0.675 100 G N -0.536 108.381 108.800 0.195 0.000 2.145 100 G HA2 -0.223 3.735 3.960 -0.003 0.000 0.145 100 G HA3 -0.223 3.735 3.960 -0.003 0.000 0.145 100 G C -0.128 174.768 174.900 -0.007 0.000 1.017 100 G CA -0.501 44.652 45.100 0.087 0.000 0.682 100 G HN 0.133 nan 8.290 nan 0.000 0.504 101 C N 2.187 121.443 119.300 -0.072 0.000 2.629 101 C HA 0.553 5.011 4.460 -0.003 0.000 0.410 101 C C -1.379 173.347 174.990 -0.441 0.000 1.339 101 C CA -1.197 57.614 59.018 -0.345 0.000 1.810 101 C CB 0.216 27.591 27.740 -0.607 0.000 2.549 101 C HN 0.338 nan 8.230 nan 0.000 0.589 102 P HA 0.142 nan 4.420 nan 0.000 0.225 102 P C -0.831 176.248 177.300 -0.367 0.000 1.813 102 P CA -0.063 62.810 63.100 -0.378 0.000 1.013 102 P CB -0.513 30.933 31.700 -0.424 0.000 1.961 103 W N 0.940 122.155 121.300 -0.142 0.000 2.231 103 W HA 0.056 4.714 4.660 -0.003 0.000 0.341 103 W C 0.844 177.205 176.519 -0.263 0.000 1.298 103 W CA -0.156 57.090 57.345 -0.166 0.000 1.266 103 W CB 0.046 29.480 29.460 -0.044 0.000 1.172 103 W HN 0.107 nan 8.180 nan 0.000 0.568 104 S N 3.443 119.032 115.700 -0.185 0.000 2.579 104 S HA 0.347 4.815 4.470 -0.003 0.000 0.275 104 S C 0.205 174.656 174.600 -0.247 0.000 1.345 104 S CA -0.632 57.374 58.200 -0.323 0.000 1.031 104 S CB 0.505 63.287 63.200 -0.696 0.000 0.892 104 S HN 0.275 nan 8.310 nan 0.000 0.529 105 R N 1.182 121.599 120.500 -0.140 0.000 2.807 105 R HA 0.449 4.787 4.340 -0.003 0.000 0.276 105 R C -0.259 176.005 176.300 -0.061 0.000 0.979 105 R CA -0.833 55.208 56.100 -0.098 0.000 0.928 105 R CB 1.324 31.589 30.300 -0.059 0.000 1.191 105 R HN 0.591 nan 8.270 nan 0.000 0.471 106 R N 1.103 121.564 120.500 -0.065 0.000 2.637 106 R HA 0.159 4.498 4.340 -0.003 0.000 0.269 106 R C -1.428 174.856 176.300 -0.027 0.000 1.089 106 R CA -1.550 54.528 56.100 -0.037 0.000 1.177 106 R CB 0.215 30.483 30.300 -0.052 0.000 1.091 106 R HN 0.242 nan 8.270 nan 0.000 0.540 107 P HA -0.185 nan 4.420 nan 0.000 0.218 107 P C 0.405 177.695 177.300 -0.016 0.000 1.146 107 P CA 1.313 64.406 63.100 -0.010 0.000 0.813 107 P CB 0.062 31.759 31.700 -0.005 0.000 0.778 108 D N -1.783 118.603 120.400 -0.024 0.000 2.349 108 D HA 0.017 4.655 4.640 -0.003 0.000 0.224 108 D C 1.380 177.662 176.300 -0.030 0.000 1.029 108 D CA 0.806 54.790 54.000 -0.026 0.000 0.879 108 D CB -0.661 40.122 40.800 -0.030 0.000 0.906 108 D HN 0.235 nan 8.370 nan 0.000 0.528 109 G N 0.637 109.417 108.800 -0.033 0.000 2.199 109 G HA2 -0.322 3.637 3.960 -0.003 0.000 0.254 109 G HA3 -0.322 3.637 3.960 -0.003 0.000 0.254 109 G C 0.488 175.357 174.900 -0.051 0.000 0.982 109 G CA 0.577 45.657 45.100 -0.034 0.000 0.632 109 G HN 0.796 nan 8.290 nan 0.000 0.529 110 S N -0.973 114.684 115.700 -0.072 0.000 2.641 110 S HA 0.659 5.127 4.470 -0.003 0.000 0.261 110 S C 0.493 174.998 174.600 -0.159 0.000 1.257 110 S CA 0.003 58.135 58.200 -0.113 0.000 0.983 110 S CB 1.943 65.069 63.200 -0.123 0.000 0.990 110 S HN 1.041 nan 8.310 nan 0.000 0.572 111 V N 2.568 122.322 119.914 -0.266 0.000 2.461 111 V HA 0.305 4.424 4.120 -0.003 0.000 0.275 111 V C 0.243 176.088 176.094 -0.415 0.000 1.047 111 V CA -0.563 61.503 62.300 -0.390 0.000 0.955 111 V CB 0.764 32.184 31.823 -0.671 0.000 0.988 111 V HN 0.906 nan 8.190 nan 0.000 0.471 112 N N 3.955 122.472 118.700 -0.304 0.000 2.518 112 N HA 0.500 5.238 4.740 -0.003 0.000 0.283 112 N C -0.694 174.773 175.510 -0.072 0.000 1.119 112 N CA -0.258 52.700 53.050 -0.153 0.000 0.983 112 N CB 1.725 40.202 38.487 -0.016 0.000 1.139 112 N HN 0.491 nan 8.380 nan 0.000 0.465 113 V N 0.549 120.484 119.914 0.035 0.000 2.864 113 V HA 0.846 4.964 4.120 -0.003 0.000 0.314 113 V C -0.279 175.910 176.094 0.159 0.000 1.073 113 V CA -1.004 61.362 62.300 0.110 0.000 0.956 113 V CB 1.683 33.447 31.823 -0.099 0.000 1.023 113 V HN 0.843 nan 8.190 nan 0.000 0.435 114 R N 1.526 122.064 120.500 0.064 0.000 2.855 114 R HA 0.696 5.034 4.340 -0.003 0.000 0.266 114 R C -0.658 175.668 176.300 0.043 0.000 1.034 114 R CA -1.019 55.037 56.100 -0.074 0.000 0.944 114 R CB 1.914 31.955 30.300 -0.432 0.000 1.219 114 R HN 0.790 nan 8.270 nan 0.000 0.474 115 R N 1.215 121.754 120.500 0.065 0.000 2.357 115 R HA 0.419 4.758 4.340 -0.003 0.000 0.296 115 R C -1.376 175.059 176.300 0.224 0.000 1.052 115 R CA -0.174 55.990 56.100 0.107 0.000 0.988 115 R CB 0.573 30.889 30.300 0.027 0.000 1.025 115 R HN 0.565 nan 8.270 nan 0.000 0.469 116 F N 0.080 120.022 119.950 -0.013 0.000 2.662 116 F HA 0.331 4.856 4.527 -0.003 0.000 0.312 116 F C 0.646 176.454 175.800 0.013 0.000 1.113 116 F CA 0.069 58.069 58.000 0.001 0.000 0.951 116 F CB 2.148 41.159 39.000 0.019 0.000 1.344 116 F HN 0.731 nan 8.300 nan 0.000 0.462 117 G N 1.119 109.988 108.800 0.115 0.000 2.321 117 G HA2 0.090 4.049 3.960 -0.003 0.000 0.287 117 G HA3 0.090 4.049 3.960 -0.003 0.000 0.287 117 G C 1.076 176.000 174.900 0.040 0.000 1.018 117 G CA 1.049 46.200 45.100 0.085 0.000 0.855 117 G HN 2.146 nan 8.290 nan 0.000 0.507 118 G N -1.679 107.120 108.800 -0.001 0.000 2.168 118 G HA2 -0.301 3.658 3.960 -0.003 0.000 0.263 118 G HA3 -0.301 3.658 3.960 -0.003 0.000 0.263 118 G C 0.587 175.502 174.900 0.025 0.000 0.977 118 G CA 0.994 46.092 45.100 -0.004 0.000 0.659 118 G HN 1.183 nan 8.290 nan 0.000 0.533 119 M N -0.203 119.428 119.600 0.052 0.000 2.245 119 M HA 0.259 4.738 4.480 -0.003 0.000 0.344 119 M C 1.577 177.900 176.300 0.039 0.000 1.170 119 M CA 0.530 55.869 55.300 0.066 0.000 1.135 119 M CB 0.900 33.554 32.600 0.090 0.000 1.574 119 M HN 0.189 nan 8.290 nan 0.000 0.452 120 K N 2.583 123.002 120.400 0.032 0.000 2.001 120 K HA 0.010 4.329 4.320 -0.003 0.000 0.208 120 K C 0.298 176.893 176.600 -0.010 0.000 1.048 120 K CA 0.996 57.285 56.287 0.004 0.000 0.932 120 K CB 0.351 32.840 32.500 -0.019 0.000 0.715 120 K HN 0.543 nan 8.250 nan 0.000 0.437 121 I N 3.744 124.296 120.570 -0.030 0.000 2.315 121 I HA 0.047 4.216 4.170 -0.003 0.000 0.291 121 I C -0.356 175.743 176.117 -0.030 0.000 1.006 121 I CA -0.651 60.625 61.300 -0.040 0.000 1.265 121 I CB 1.078 38.998 38.000 -0.134 0.000 1.387 121 I HN 0.292 nan 8.210 nan 0.000 0.475 122 E N 8.365 128.559 120.200 -0.009 0.000 2.159 122 E HA 0.010 4.358 4.350 -0.003 0.000 0.272 122 E C 0.349 176.929 176.600 -0.032 0.000 1.138 122 E CA -0.248 56.154 56.400 0.003 0.000 0.915 122 E CB 0.126 29.837 29.700 0.018 0.000 1.028 122 E HN 0.750 nan 8.360 nan 0.000 0.423 123 R N 1.319 121.804 120.500 -0.026 0.000 2.476 123 R HA 0.185 4.523 4.340 -0.003 0.000 0.276 123 R C -0.303 176.048 176.300 0.084 0.000 0.941 123 R CA -0.522 55.552 56.100 -0.043 0.000 1.088 123 R CB -0.009 30.211 30.300 -0.134 0.000 1.216 123 R HN 0.154 nan 8.270 nan 0.000 0.533 124 T N 2.531 117.152 114.554 0.110 0.000 2.752 124 T HA 0.105 4.454 4.350 -0.003 0.000 0.295 124 T C -0.827 174.057 174.700 0.306 0.000 0.923 124 T CA -0.164 62.048 62.100 0.187 0.000 1.112 124 T CB 0.146 69.082 68.868 0.115 0.000 0.884 124 T HN 0.152 nan 8.240 nan 0.000 0.525 125 W N 4.911 126.146 121.300 -0.108 0.000 2.218 125 W HA 0.528 5.187 4.660 -0.002 0.000 0.326 125 W C -0.097 176.532 176.519 0.183 0.000 1.276 125 W CA -1.610 55.611 57.345 -0.206 0.000 1.210 125 W CB -0.403 28.460 29.460 -0.995 0.000 1.143 125 W HN 0.596 nan 8.180 nan 0.000 0.563 126 F N 0.026 120.204 119.950 0.380 0.000 2.574 126 F HA 0.759 5.284 4.527 -0.003 0.000 0.313 126 F C -0.244 175.872 175.800 0.527 0.000 1.130 126 F CA -1.962 56.309 58.000 0.452 0.000 0.936 126 F CB 1.068 40.175 39.000 0.179 0.000 1.219 126 F HN 0.394 nan 8.300 nan 0.000 0.445 127 A N 3.986 127.025 122.820 0.365 0.000 3.078 127 A HA 0.698 5.016 4.320 -0.003 0.000 0.279 127 A C 1.045 178.737 177.584 0.179 0.000 1.594 127 A CA 0.231 52.294 52.037 0.045 0.000 1.301 127 A CB -1.257 17.614 19.000 -0.214 0.000 1.162 127 A HN 2.358 nan 8.150 nan 0.000 0.585 128 A N 1.899 124.834 122.820 0.192 0.000 5.391 128 A HA -0.335 3.983 4.320 -0.003 0.000 0.315 128 A C 1.047 178.847 177.584 0.360 0.000 1.874 128 A CA 2.063 54.295 52.037 0.324 0.000 0.714 128 A CB -1.597 17.530 19.000 0.212 0.000 1.335 128 A HN 1.385 nan 8.150 nan 0.000 0.382 129 D N -0.734 119.806 120.400 0.233 0.000 2.363 129 D HA 0.282 4.921 4.640 -0.003 0.000 0.214 129 D C 0.545 176.869 176.300 0.040 0.000 1.093 129 D CA 0.653 54.735 54.000 0.137 0.000 0.837 129 D CB 0.339 41.209 40.800 0.117 0.000 0.948 129 D HN 0.398 nan 8.370 nan 0.000 0.507 130 K N 0.447 120.928 120.400 0.135 0.000 3.010 130 K HA 0.207 4.526 4.320 -0.003 0.000 0.211 130 K C 0.503 177.238 176.600 0.226 0.000 1.146 130 K CA -0.045 56.306 56.287 0.107 0.000 1.070 130 K CB 0.771 33.326 32.500 0.092 0.000 0.908 130 K HN 0.051 nan 8.250 nan 0.000 0.463 131 T N -0.336 114.320 114.554 0.170 0.000 2.746 131 T HA -0.124 4.224 4.350 -0.003 0.000 0.267 131 T C 1.912 176.673 174.700 0.101 0.000 1.039 131 T CA 1.866 64.062 62.100 0.159 0.000 1.142 131 T CB 0.042 69.027 68.868 0.195 0.000 0.866 131 T HN 0.494 nan 8.240 nan 0.000 0.444 132 G N 0.794 109.638 108.800 0.073 0.000 2.404 132 G HA2 -0.137 3.821 3.960 -0.003 0.000 0.215 132 G HA3 -0.137 3.821 3.960 -0.003 0.000 0.215 132 G C 1.353 176.294 174.900 0.068 0.000 1.174 132 G CA 0.469 45.599 45.100 0.050 0.000 0.780 132 G HN 0.476 nan 8.290 nan 0.000 0.537 133 F N 1.304 121.211 119.950 -0.072 0.000 2.091 133 F HA -0.171 4.355 4.527 -0.003 0.000 0.299 133 F C 2.632 178.387 175.800 -0.075 0.000 1.103 133 F CA 2.102 60.047 58.000 -0.092 0.000 1.228 133 F CB -0.314 38.535 39.000 -0.250 0.000 0.984 133 F HN 0.177 nan 8.300 nan 0.000 0.477 134 H N -0.122 118.836 119.070 -0.187 0.000 2.357 134 H HA -0.099 4.455 4.556 -0.003 0.000 0.301 134 H C 2.424 177.604 175.328 -0.247 0.000 1.082 134 H CA 1.966 57.824 56.048 -0.317 0.000 1.342 134 H CB -0.547 29.089 29.762 -0.211 0.000 1.389 134 H HN 0.368 nan 8.280 nan 0.000 0.511 135 M N -0.250 119.321 119.600 -0.049 0.000 2.117 135 M HA -0.160 4.319 4.480 -0.003 0.000 0.262 135 M C 2.402 178.711 176.300 0.015 0.000 1.065 135 M CA 1.126 56.411 55.300 -0.026 0.000 1.114 135 M CB -0.155 32.461 32.600 0.027 0.000 1.361 135 M HN 0.118 nan 8.290 nan 0.000 0.408 136 L N -0.354 120.869 121.223 -0.000 0.000 2.005 136 L HA -0.197 4.141 4.340 -0.003 0.000 0.207 136 L C 2.432 179.288 176.870 -0.022 0.000 1.072 136 L CA 1.938 56.776 54.840 -0.003 0.000 0.744 136 L CB -0.866 41.182 42.059 -0.019 0.000 0.895 136 L HN 0.298 nan 8.230 nan 0.000 0.433 137 H N -1.449 117.504 119.070 -0.194 0.000 2.421 137 H HA -0.129 4.426 4.556 -0.002 0.000 0.298 137 H C 1.978 177.280 175.328 -0.042 0.000 1.087 137 H CA 1.754 57.709 56.048 -0.156 0.000 1.330 137 H CB -0.037 29.441 29.762 -0.473 0.000 1.388 137 H HN 0.402 nan 8.280 nan 0.000 0.526 138 T N 1.161 115.746 114.554 0.050 0.000 2.674 138 T HA -0.097 4.252 4.350 -0.003 0.000 0.265 138 T C 2.397 177.137 174.700 0.067 0.000 1.039 138 T CA 0.682 62.819 62.100 0.062 0.000 1.150 138 T CB -0.291 68.611 68.868 0.057 0.000 0.864 138 T HN 0.176 nan 8.240 nan 0.000 0.427 139 L N -0.125 121.149 121.223 0.086 0.000 2.083 139 L HA -0.068 4.270 4.340 -0.003 0.000 0.209 139 L C 2.241 179.123 176.870 0.021 0.000 1.083 139 L CA 1.310 56.184 54.840 0.057 0.000 0.752 139 L CB -0.446 41.672 42.059 0.097 0.000 0.899 139 L HN 0.237 nan 8.230 nan 0.000 0.433 140 F N 0.628 120.521 119.950 -0.095 0.000 2.128 140 F HA -0.190 4.335 4.527 -0.004 0.000 0.295 140 F C 2.566 178.313 175.800 -0.089 0.000 1.100 140 F CA 1.493 59.429 58.000 -0.107 0.000 1.260 140 F CB -0.270 38.629 39.000 -0.168 0.000 1.009 140 F HN -0.000 nan 8.300 nan 0.000 0.476 141 Q N -0.592 119.098 119.800 -0.184 0.000 2.167 141 Q HA -0.143 4.196 4.340 -0.003 0.000 0.202 141 Q C 2.044 177.892 176.000 -0.255 0.000 0.970 141 Q CA 2.001 57.650 55.803 -0.256 0.000 0.855 141 Q CB -0.325 28.376 28.738 -0.062 0.000 0.911 141 Q HN 0.363 nan 8.270 nan 0.000 0.438 142 T N 0.305 114.727 114.554 -0.219 0.000 2.777 142 T HA -0.145 4.203 4.350 -0.003 0.000 0.266 142 T C 2.024 176.614 174.700 -0.185 0.000 1.040 142 T CA 1.414 63.350 62.100 -0.274 0.000 1.141 142 T CB -0.261 68.323 68.868 -0.474 0.000 0.868 142 T HN 0.471 nan 8.240 nan 0.000 0.444 143 S N 1.933 117.531 115.700 -0.170 0.000 2.440 143 S HA -0.025 4.443 4.470 -0.003 0.000 0.238 143 S C 2.003 176.584 174.600 -0.031 0.000 1.010 143 S CA 0.748 58.930 58.200 -0.030 0.000 0.972 143 S CB -0.890 62.237 63.200 -0.121 0.000 0.774 143 S HN 0.468 nan 8.310 nan 0.000 0.501 144 L N 1.739 122.824 121.223 -0.229 0.000 2.201 144 L HA -0.128 4.211 4.340 -0.003 0.000 0.212 144 L C 2.950 179.709 176.870 -0.185 0.000 1.105 144 L CA 1.510 56.212 54.840 -0.229 0.000 0.775 144 L CB -0.783 41.096 42.059 -0.300 0.000 0.913 144 L HN 0.591 nan 8.230 nan 0.000 0.440 145 Q N 0.079 119.717 119.800 -0.270 0.000 2.488 145 Q HA -0.079 4.259 4.340 -0.003 0.000 0.211 145 Q C -0.103 175.579 176.000 -0.529 0.000 0.967 145 Q CA 0.594 56.141 55.803 -0.426 0.000 0.926 145 Q CB -0.107 28.288 28.738 -0.573 0.000 0.992 145 Q HN 0.329 nan 8.270 nan 0.000 0.506 146 F N 2.431 122.299 119.950 -0.137 0.000 2.332 146 F HA 0.347 4.873 4.527 -0.002 0.000 0.368 146 F C -1.655 174.093 175.800 -0.086 0.000 1.110 146 F CA -2.754 55.183 58.000 -0.105 0.000 1.087 146 F CB 1.620 40.551 39.000 -0.114 0.000 1.235 146 F HN -0.053 nan 8.300 nan 0.000 0.470 147 P HA -0.113 nan 4.420 nan 0.000 0.237 147 P C 0.781 178.108 177.300 0.045 0.000 1.178 147 P CA 0.910 64.028 63.100 0.030 0.000 0.766 147 P CB 0.343 32.046 31.700 0.006 0.000 0.876 148 Q N 0.170 120.017 119.800 0.078 0.000 2.119 148 Q HA -0.004 4.335 4.340 -0.003 0.000 0.201 148 Q C 1.030 177.047 176.000 0.029 0.000 0.972 148 Q CA 0.808 56.641 55.803 0.049 0.000 0.847 148 Q CB -0.659 28.106 28.738 0.044 0.000 0.903 148 Q HN 0.336 nan 8.270 nan 0.000 0.433 149 I N 1.520 122.107 120.570 0.028 0.000 2.379 149 I HA 0.037 4.205 4.170 -0.003 0.000 0.290 149 I C -0.048 176.071 176.117 0.003 0.000 1.063 149 I CA -0.444 60.861 61.300 0.009 0.000 1.351 149 I CB 0.621 38.619 38.000 -0.004 0.000 1.410 149 I HN 0.024 nan 8.210 nan 0.000 0.505 150 Q N 7.054 126.858 119.800 0.008 0.000 2.290 150 Q HA 0.410 4.748 4.340 -0.003 0.000 0.259 150 Q C -0.963 175.011 176.000 -0.043 0.000 0.941 150 Q CA -0.400 55.370 55.803 -0.054 0.000 0.912 150 Q CB 1.060 29.759 28.738 -0.064 0.000 1.244 150 Q HN 0.448 nan 8.270 nan 0.000 0.441 151 R N 3.398 123.818 120.500 -0.133 0.000 2.393 151 R HA 0.389 4.728 4.340 -0.003 0.000 0.310 151 R C -0.868 175.280 176.300 -0.254 0.000 0.968 151 R CA -0.521 55.548 56.100 -0.052 0.000 0.867 151 R CB 0.995 31.311 30.300 0.028 0.000 1.124 151 R HN 0.522 nan 8.270 nan 0.000 0.450 152 F N 2.358 122.151 119.950 -0.261 0.000 2.329 152 F HA 0.185 4.713 4.527 0.002 0.000 0.362 152 F C 0.277 175.939 175.800 -0.231 0.000 1.113 152 F CA -0.837 56.876 58.000 -0.477 0.000 1.212 152 F CB 0.360 38.865 39.000 -0.825 0.000 1.509 152 F HN 0.254 nan 8.300 nan 0.000 0.546 153 D N 2.687 123.076 120.400 -0.018 0.000 2.382 153 D HA 0.027 4.665 4.640 -0.003 0.000 0.245 153 D C 0.461 176.770 176.300 0.014 0.000 1.120 153 D CA 0.207 54.143 54.000 -0.107 0.000 0.890 153 D CB 0.553 41.179 40.800 -0.289 0.000 1.201 153 D HN 0.550 nan 8.370 nan 0.000 0.433 154 E N 0.778 120.907 120.200 -0.118 0.000 2.222 154 E HA -0.260 4.088 4.350 -0.003 0.000 0.189 154 E C -0.839 175.810 176.600 0.081 0.000 1.415 154 E CA 0.665 57.053 56.400 -0.019 0.000 0.689 154 E CB -1.131 28.549 29.700 -0.034 0.000 1.107 154 E HN 0.418 nan 8.360 nan 0.000 0.350 155 H N -0.175 118.895 119.070 0.000 0.000 2.658 155 H HA 0.412 4.965 4.556 -0.004 0.000 0.337 155 H C -1.008 174.337 175.328 0.029 0.000 1.009 155 H CA -0.575 55.495 56.048 0.036 0.000 1.231 155 H CB 0.787 30.583 29.762 0.056 0.000 1.508 155 H HN 0.195 nan 8.280 nan 0.000 0.517 156 F N 4.104 124.031 119.950 -0.038 0.000 2.410 156 F HA 0.419 4.944 4.527 -0.004 0.000 0.349 156 F C -0.571 175.212 175.800 -0.027 0.000 1.117 156 F CA -0.687 57.284 58.000 -0.049 0.000 1.104 156 F CB 0.700 39.641 39.000 -0.099 0.000 1.122 156 F HN 0.239 nan 8.300 nan 0.000 0.483 157 V N 8.103 127.838 119.914 -0.299 0.000 2.406 157 V HA 0.127 4.245 4.120 -0.003 0.000 0.272 157 V C 0.819 176.889 176.094 -0.040 0.000 1.043 157 V CA -0.171 62.044 62.300 -0.142 0.000 0.915 157 V CB 1.207 32.907 31.823 -0.205 0.000 0.988 157 V HN 0.864 nan 8.190 nan 0.000 0.466 158 L N 2.300 123.586 121.223 0.104 0.000 2.145 158 L HA 0.349 4.687 4.340 -0.003 0.000 0.201 158 L C 0.573 177.529 176.870 0.143 0.000 1.075 158 L CA 0.893 55.845 54.840 0.187 0.000 0.773 158 L CB 0.144 42.300 42.059 0.162 0.000 0.936 158 L HN 0.608 nan 8.230 nan 0.000 0.451 159 D N -1.297 119.159 120.400 0.094 0.000 2.599 159 D HA 0.422 5.060 4.640 -0.003 0.000 0.252 159 D C -1.133 175.206 176.300 0.066 0.000 1.232 159 D CA -0.567 53.504 54.000 0.119 0.000 0.819 159 D CB 2.069 42.966 40.800 0.161 0.000 1.401 159 D HN 0.052 nan 8.370 nan 0.000 0.429 160 I N -1.486 119.122 120.570 0.062 0.000 2.676 160 I HA 0.573 4.741 4.170 -0.003 0.000 0.309 160 I C -0.592 175.481 176.117 -0.074 0.000 0.990 160 I CA -0.891 60.367 61.300 -0.070 0.000 1.168 160 I CB 1.284 39.169 38.000 -0.193 0.000 1.343 160 I HN 0.163 nan 8.210 nan 0.000 0.482 161 L N 4.885 126.062 121.223 -0.077 0.000 2.276 161 L HA 0.586 4.924 4.340 -0.003 0.000 0.286 161 L C -0.749 176.089 176.870 -0.055 0.000 1.024 161 L CA -0.688 54.135 54.840 -0.028 0.000 0.826 161 L CB 1.471 43.531 42.059 0.002 0.000 1.211 161 L HN 0.426 nan 8.230 nan 0.000 0.422 162 V N 1.979 121.870 119.914 -0.039 0.000 2.680 162 V HA 0.568 4.686 4.120 -0.003 0.000 0.309 162 V C -1.022 175.091 176.094 0.032 0.000 1.052 162 V CA -0.500 61.783 62.300 -0.028 0.000 0.908 162 V CB 2.383 34.158 31.823 -0.081 0.000 1.001 162 V HN 0.700 nan 8.190 nan 0.000 0.431 163 D N 2.128 122.553 120.400 0.041 0.000 2.927 163 D HA 0.406 5.044 4.640 -0.003 0.000 0.219 163 D C -0.346 175.984 176.300 0.050 0.000 1.248 163 D CA -0.183 53.843 54.000 0.043 0.000 0.861 163 D CB 1.786 42.605 40.800 0.032 0.000 1.677 163 D HN 0.642 nan 8.370 nan 0.000 0.511 164 D N 2.882 123.306 120.400 0.039 0.000 2.772 164 D HA -0.141 4.498 4.640 -0.003 0.000 0.233 164 D C 0.924 177.254 176.300 0.050 0.000 1.143 164 D CA 2.514 56.536 54.000 0.037 0.000 0.700 164 D CB -1.064 39.753 40.800 0.028 0.000 1.076 164 D HN 1.048 nan 8.370 nan 0.000 0.430 165 G N -0.649 108.176 108.800 0.041 0.000 2.148 165 G HA2 -0.333 3.625 3.960 -0.003 0.000 0.254 165 G HA3 -0.333 3.625 3.960 -0.003 0.000 0.254 165 G C 0.060 174.971 174.900 0.019 0.000 0.981 165 G CA 0.485 45.598 45.100 0.021 0.000 0.670 165 G HN 0.767 nan 8.290 nan 0.000 0.528 166 H N -0.428 118.619 119.070 -0.037 0.000 2.637 166 H HA 0.568 5.125 4.556 0.001 0.000 0.363 166 H C 0.105 175.400 175.328 -0.056 0.000 1.131 166 H CA -0.182 55.838 56.048 -0.046 0.000 1.183 166 H CB 2.106 31.850 29.762 -0.030 0.000 1.637 166 H HN 0.115 nan 8.280 nan 0.000 0.531 167 V N 5.272 125.174 119.914 -0.020 0.000 2.649 167 V HA 0.257 4.375 4.120 -0.003 0.000 0.292 167 V C 1.012 177.222 176.094 0.193 0.000 1.055 167 V CA -0.347 61.968 62.300 0.025 0.000 1.023 167 V CB 1.156 32.933 31.823 -0.078 0.000 0.992 167 V HN 0.704 nan 8.190 nan 0.000 0.480 168 R N 1.992 122.540 120.500 0.080 0.000 2.541 168 R HA 0.455 4.794 4.340 -0.003 0.000 0.332 168 R C 0.452 176.769 176.300 0.029 0.000 0.951 168 R CA 0.607 56.746 56.100 0.064 0.000 1.136 168 R CB 1.197 31.521 30.300 0.039 0.000 1.449 168 R HN 1.016 nan 8.270 nan 0.000 0.531 169 G N 0.839 109.643 108.800 0.007 0.000 2.373 169 G HA2 0.274 4.232 3.960 -0.003 0.000 0.250 169 G HA3 0.274 4.232 3.960 -0.003 0.000 0.250 169 G C -2.020 172.860 174.900 -0.033 0.000 1.304 169 G CA -0.416 44.678 45.100 -0.009 0.000 0.948 169 G HN 0.078 nan 8.290 nan 0.000 0.474 170 L N -3.153 118.049 121.223 -0.035 0.000 2.720 170 L HA 0.948 5.286 4.340 -0.003 0.000 0.261 170 L C -0.920 175.938 176.870 -0.020 0.000 1.046 170 L CA -1.230 53.586 54.840 -0.041 0.000 0.886 170 L CB 1.452 43.465 42.059 -0.077 0.000 1.493 170 L HN 0.771 nan 8.230 nan 0.000 0.407 171 V N 0.584 120.496 119.914 -0.004 0.000 2.495 171 V HA 0.988 5.107 4.120 -0.003 0.000 0.298 171 V C 0.055 176.160 176.094 0.018 0.000 1.031 171 V CA 0.246 62.557 62.300 0.019 0.000 0.871 171 V CB 1.201 33.050 31.823 0.043 0.000 0.988 171 V HN 1.223 nan 8.190 nan 0.000 0.432 172 A N 5.204 128.044 122.820 0.033 0.000 2.556 172 A HA 0.909 5.227 4.320 -0.003 0.000 0.294 172 A C -0.975 176.666 177.584 0.096 0.000 1.091 172 A CA -0.659 51.413 52.037 0.059 0.000 0.704 172 A CB 2.112 21.126 19.000 0.022 0.000 1.300 172 A HN 0.843 nan 8.150 nan 0.000 0.406 173 M N 2.258 121.912 119.600 0.091 0.000 2.227 173 M HA 0.314 4.792 4.480 -0.003 0.000 0.335 173 M C -0.617 175.584 176.300 -0.164 0.000 1.053 173 M CA -0.675 54.631 55.300 0.009 0.000 0.973 173 M CB 1.017 33.616 32.600 -0.002 0.000 1.623 173 M HN 0.818 nan 8.290 nan 0.000 0.434 174 N N 4.899 123.428 118.700 -0.284 0.000 2.434 174 N HA 0.043 4.781 4.740 -0.003 0.000 0.268 174 N C 0.510 175.832 175.510 -0.313 0.000 1.256 174 N CA 0.472 53.160 53.050 -0.604 0.000 0.914 174 N CB 0.596 38.926 38.487 -0.261 0.000 1.088 174 N HN 0.871 nan 8.380 nan 0.000 0.478 175 M N 2.708 122.122 119.600 -0.310 0.000 2.132 175 M HA -0.169 4.310 4.480 -0.003 0.000 0.263 175 M C 1.702 177.956 176.300 -0.076 0.000 1.065 175 M CA 1.402 56.574 55.300 -0.214 0.000 1.122 175 M CB -0.099 32.357 32.600 -0.241 0.000 1.365 175 M HN 0.534 nan 8.290 nan 0.000 0.411 176 M N 0.318 119.941 119.600 0.037 0.000 2.132 176 M HA -0.128 4.350 4.480 -0.003 0.000 0.263 176 M C 1.883 178.216 176.300 0.055 0.000 1.065 176 M CA 1.753 57.132 55.300 0.131 0.000 1.122 176 M CB -0.187 32.488 32.600 0.125 0.000 1.365 176 M HN 0.025 nan 8.290 nan 0.000 0.411 177 E N -0.781 119.424 120.200 0.008 0.000 2.158 177 E HA 0.107 4.456 4.350 -0.003 0.000 0.191 177 E C 1.509 178.099 176.600 -0.016 0.000 0.982 177 E CA 1.054 57.457 56.400 0.006 0.000 0.823 177 E CB -0.427 29.282 29.700 0.016 0.000 0.766 177 E HN 0.624 nan 8.360 nan 0.000 0.468 178 G N 2.033 110.801 108.800 -0.052 0.000 2.148 178 G HA2 -0.289 3.670 3.960 -0.003 0.000 0.254 178 G HA3 -0.289 3.670 3.960 -0.003 0.000 0.254 178 G C 0.581 175.453 174.900 -0.047 0.000 0.981 178 G CA 0.889 45.947 45.100 -0.070 0.000 0.670 178 G HN 0.421 nan 8.290 nan 0.000 0.528 179 T N -1.209 113.330 114.554 -0.026 0.000 2.913 179 T HA 0.717 5.065 4.350 -0.003 0.000 0.287 179 T C 0.394 175.105 174.700 0.017 0.000 1.008 179 T CA -0.778 61.326 62.100 0.006 0.000 1.067 179 T CB 2.240 71.130 68.868 0.036 0.000 0.996 179 T HN 0.444 nan 8.240 nan 0.000 0.513 180 L N 2.225 123.470 121.223 0.037 0.000 2.325 180 L HA 0.701 5.039 4.340 -0.003 0.000 0.279 180 L C -0.174 176.755 176.870 0.099 0.000 1.054 180 L CA -1.093 53.781 54.840 0.056 0.000 0.804 180 L CB 1.742 43.825 42.059 0.040 0.000 1.200 180 L HN 0.754 nan 8.230 nan 0.000 0.436 181 V N 0.189 120.180 119.914 0.127 0.000 2.925 181 V HA 0.518 4.637 4.120 -0.003 0.000 0.311 181 V C -0.808 175.365 176.094 0.132 0.000 1.104 181 V CA -0.889 61.519 62.300 0.179 0.000 0.954 181 V CB 1.773 33.783 31.823 0.312 0.000 1.022 181 V HN 0.752 nan 8.190 nan 0.000 0.427 182 Q N 2.534 122.419 119.800 0.142 0.000 2.241 182 Q HA 0.713 5.051 4.340 -0.003 0.000 0.254 182 Q C -1.180 174.900 176.000 0.133 0.000 0.917 182 Q CA -0.507 55.355 55.803 0.098 0.000 0.919 182 Q CB 2.440 31.223 28.738 0.075 0.000 1.237 182 Q HN 0.775 nan 8.270 nan 0.000 0.434 183 I N 2.584 123.178 120.570 0.041 0.000 2.466 183 I HA 0.372 4.540 4.170 -0.003 0.000 0.289 183 I C -0.422 175.705 176.117 0.016 0.000 1.026 183 I CA -0.768 60.547 61.300 0.026 0.000 1.078 183 I CB 1.451 39.348 38.000 -0.173 0.000 1.249 183 I HN 0.310 nan 8.210 nan 0.000 0.429 184 R N 5.124 125.654 120.500 0.051 0.000 2.229 184 R HA 0.801 5.140 4.340 -0.003 0.000 0.332 184 R C -0.884 175.435 176.300 0.031 0.000 0.989 184 R CA -0.530 55.590 56.100 0.034 0.000 0.842 184 R CB 1.748 32.071 30.300 0.038 0.000 1.119 184 R HN 0.735 nan 8.270 nan 0.000 0.456 185 A N 2.694 125.526 122.820 0.021 0.000 2.486 185 A HA 0.359 4.677 4.320 -0.003 0.000 0.300 185 A C 0.030 177.644 177.584 0.050 0.000 1.048 185 A CA -0.774 51.280 52.037 0.029 0.000 0.696 185 A CB 1.361 20.369 19.000 0.013 0.000 1.278 185 A HN 0.738 nan 8.150 nan 0.000 0.405 186 N N 0.346 119.087 118.700 0.069 0.000 2.370 186 N HA 0.299 5.037 4.740 -0.003 0.000 0.198 186 N C 0.011 175.638 175.510 0.195 0.000 1.156 186 N CA 0.874 54.001 53.050 0.128 0.000 0.839 186 N CB 0.633 39.169 38.487 0.082 0.000 0.989 186 N HN 0.804 nan 8.380 nan 0.000 0.468 187 A N 0.301 123.195 122.820 0.123 0.000 2.540 187 A HA 0.571 4.890 4.320 -0.003 0.000 0.297 187 A C -1.095 176.545 177.584 0.093 0.000 1.056 187 A CA -0.442 51.679 52.037 0.139 0.000 0.700 187 A CB 1.565 20.669 19.000 0.173 0.000 1.280 187 A HN -0.086 nan 8.150 nan 0.000 0.398 188 V N 1.782 121.762 119.914 0.110 0.000 2.709 188 V HA 0.608 4.726 4.120 -0.003 0.000 0.308 188 V C -0.611 175.551 176.094 0.114 0.000 1.062 188 V CA -0.625 61.707 62.300 0.054 0.000 0.901 188 V CB 1.993 33.806 31.823 -0.016 0.000 1.003 188 V HN 0.810 nan 8.190 nan 0.000 0.425 189 V N 4.885 124.832 119.914 0.054 0.000 2.417 189 V HA 0.497 4.615 4.120 -0.003 0.000 0.291 189 V C -0.056 176.042 176.094 0.007 0.000 1.024 189 V CA -0.557 61.781 62.300 0.064 0.000 0.861 189 V CB 1.748 33.572 31.823 0.002 0.000 0.985 189 V HN 0.751 nan 8.190 nan 0.000 0.436 190 M N 4.287 123.893 119.600 0.010 0.000 2.080 190 M HA 0.576 5.054 4.480 -0.003 0.000 0.350 190 M C 0.020 176.302 176.300 -0.031 0.000 1.173 190 M CA -0.145 55.133 55.300 -0.036 0.000 1.052 190 M CB 1.321 33.888 32.600 -0.056 0.000 1.577 190 M HN 0.759 nan 8.290 nan 0.000 0.455 191 A N 2.693 125.486 122.820 -0.045 0.000 3.216 191 A HA 0.452 4.771 4.320 -0.003 0.000 0.321 191 A C 0.661 178.212 177.584 -0.054 0.000 1.042 191 A CA -0.535 51.482 52.037 -0.033 0.000 0.838 191 A CB -0.177 18.816 19.000 -0.011 0.000 1.136 191 A HN 0.826 nan 8.150 nan 0.000 0.483 192 T N -2.171 112.337 114.554 -0.076 0.000 3.054 192 T HA 0.499 4.848 4.350 -0.003 0.000 0.255 192 T C 1.092 175.743 174.700 -0.082 0.000 1.035 192 T CA 0.757 62.799 62.100 -0.097 0.000 0.941 192 T CB -0.158 68.624 68.868 -0.143 0.000 1.026 192 T HN 2.208 nan 8.240 nan 0.000 0.533 193 G N 0.339 109.100 108.800 -0.064 0.000 2.750 193 G HA2 0.205 4.163 3.960 -0.003 0.000 0.228 193 G HA3 0.205 4.163 3.960 -0.003 0.000 0.228 193 G C 0.222 175.050 174.900 -0.120 0.000 1.367 193 G CA -0.535 44.525 45.100 -0.067 0.000 0.871 193 G HN 0.880 nan 8.290 nan 0.000 0.560 194 G N -1.784 106.920 108.800 -0.160 0.000 2.494 194 G HA2 0.683 4.641 3.960 -0.003 0.000 0.270 194 G HA3 0.683 4.641 3.960 -0.003 0.000 0.270 194 G C 0.934 175.740 174.900 -0.158 0.000 1.423 194 G CA 0.907 45.877 45.100 -0.216 0.000 1.055 194 G HN 2.091 nan 8.290 nan 0.000 0.536 195 A N -1.213 121.518 122.820 -0.149 0.000 2.589 195 A HA 0.516 4.835 4.320 -0.003 0.000 0.283 195 A C 1.969 179.522 177.584 -0.052 0.000 1.187 195 A CA 0.976 52.962 52.037 -0.086 0.000 0.957 195 A CB 0.009 18.972 19.000 -0.061 0.000 1.175 195 A HN 1.055 nan 8.150 nan 0.000 0.532 196 G N 0.581 109.320 108.800 -0.101 0.000 2.507 196 G HA2 -0.265 3.694 3.960 -0.003 0.000 0.221 196 G HA3 -0.265 3.694 3.960 -0.003 0.000 0.221 196 G C 1.468 176.359 174.900 -0.015 0.000 1.119 196 G CA 0.697 45.746 45.100 -0.085 0.000 0.751 196 G HN 0.451 nan 8.290 nan 0.000 0.574 197 R N -0.137 120.337 120.500 -0.044 0.000 2.357 197 R HA 0.080 4.418 4.340 -0.003 0.000 0.202 197 R C 2.205 178.505 176.300 0.000 0.000 1.047 197 R CA 0.228 56.309 56.100 -0.032 0.000 1.034 197 R CB -0.347 29.921 30.300 -0.053 0.000 0.875 197 R HN 0.376 nan 8.270 nan 0.000 0.473 198 V N 0.223 120.153 119.914 0.026 0.000 2.871 198 V HA -0.106 4.012 4.120 -0.003 0.000 0.256 198 V C 0.231 176.284 176.094 -0.067 0.000 1.082 198 V CA 0.949 63.237 62.300 -0.020 0.000 1.105 198 V CB -0.216 31.584 31.823 -0.038 0.000 0.713 198 V HN 0.056 nan 8.190 nan 0.000 0.473 199 Y N -0.202 120.049 120.300 -0.083 0.000 2.307 199 Y HA 0.283 4.831 4.550 -0.003 0.000 0.324 199 Y C 1.583 177.425 175.900 -0.098 0.000 1.238 199 Y CA 0.091 58.147 58.100 -0.074 0.000 1.280 199 Y CB 0.572 38.981 38.460 -0.084 0.000 1.248 199 Y HN -0.077 nan 8.280 nan 0.000 0.508 200 R N 1.324 121.835 120.500 0.018 0.000 2.075 200 R HA -0.092 4.246 4.340 -0.003 0.000 0.232 200 R C -0.686 175.438 176.300 -0.294 0.000 1.126 200 R CA 1.284 57.267 56.100 -0.195 0.000 0.963 200 R CB -0.083 30.031 30.300 -0.311 0.000 0.858 200 R HN 0.684 nan 8.270 nan 0.000 0.435 201 Y N 1.219 121.564 120.300 0.075 0.000 2.356 201 Y HA 0.238 4.786 4.550 -0.003 0.000 0.334 201 Y C -0.446 175.453 175.900 -0.003 0.000 0.958 201 Y CA -1.010 57.112 58.100 0.038 0.000 1.196 201 Y CB 1.121 39.610 38.460 0.050 0.000 1.137 201 Y HN 0.285 nan 8.280 nan 0.000 0.485 202 N N -1.868 116.894 118.700 0.104 0.000 2.774 202 N HA 0.364 5.102 4.740 -0.003 0.000 0.264 202 N C -0.025 175.497 175.510 0.020 0.000 1.415 202 N CA -0.809 52.248 53.050 0.011 0.000 0.815 202 N CB 1.225 39.686 38.487 -0.043 0.000 1.514 202 N HN 0.236 nan 8.380 nan 0.000 0.523 203 T N -3.679 110.885 114.554 0.016 0.000 3.122 203 T HA 0.257 4.606 4.350 -0.003 0.000 0.250 203 T C -0.238 174.489 174.700 0.046 0.000 1.067 203 T CA -0.275 61.864 62.100 0.066 0.000 0.966 203 T CB -1.011 67.973 68.868 0.193 0.000 1.002 203 T HN 0.493 nan 8.240 nan 0.000 0.542 204 N N 0.944 119.593 118.700 -0.084 0.000 2.509 204 N HA 0.486 5.224 4.740 -0.003 0.000 0.287 204 N C 0.285 175.588 175.510 -0.344 0.000 1.121 204 N CA -0.793 52.057 53.050 -0.332 0.000 0.977 204 N CB 1.200 39.495 38.487 -0.320 0.000 1.167 204 N HN 0.387 nan 8.380 nan 0.000 0.476 205 G N -0.283 108.116 108.800 -0.668 0.000 2.569 205 G HA2 0.201 4.159 3.960 -0.003 0.000 0.249 205 G HA3 0.201 4.159 3.960 -0.003 0.000 0.249 205 G C 1.102 175.896 174.900 -0.176 0.000 1.216 205 G CA -0.438 44.515 45.100 -0.246 0.000 0.845 205 G HN 0.612 nan 8.290 nan 0.000 0.568 206 G N 0.974 109.736 108.800 -0.063 0.000 2.503 206 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.221 206 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.221 206 G C 1.713 176.595 174.900 -0.030 0.000 1.131 206 G CA 1.360 46.432 45.100 -0.046 0.000 0.756 206 G HN 0.959 nan 8.290 nan 0.000 0.572 207 I N -0.690 119.878 120.570 -0.004 0.000 2.700 207 I HA 0.021 4.189 4.170 -0.003 0.000 0.261 207 I C 0.606 176.714 176.117 -0.014 0.000 1.219 207 I CA 0.326 61.642 61.300 0.028 0.000 1.463 207 I CB -0.310 37.719 38.000 0.049 0.000 1.092 207 I HN -0.109 nan 8.210 nan 0.000 0.452 208 V N 3.340 123.203 119.914 -0.084 0.000 2.055 208 V HA 0.057 4.175 4.120 -0.003 0.000 0.248 208 V C 1.382 177.432 176.094 -0.073 0.000 1.476 208 V CA 0.844 63.078 62.300 -0.110 0.000 1.417 208 V CB -1.014 30.677 31.823 -0.218 0.000 1.465 208 V HN 0.603 nan 8.190 nan 0.000 0.502 209 T N -2.179 112.357 114.554 -0.029 0.000 3.054 209 T HA 0.353 4.702 4.350 -0.003 0.000 0.255 209 T C 1.452 176.155 174.700 0.006 0.000 1.035 209 T CA 0.461 62.566 62.100 0.010 0.000 0.941 209 T CB 0.645 69.560 68.868 0.078 0.000 1.026 209 T HN 1.032 nan 8.240 nan 0.000 0.533 210 G N 1.899 110.672 108.800 -0.044 0.000 2.132 210 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.234 210 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.234 210 G C 0.397 175.225 174.900 -0.120 0.000 0.989 210 G CA 0.222 45.282 45.100 -0.066 0.000 0.676 210 G HN 0.485 nan 8.290 nan 0.000 0.522 211 D N 0.688 120.975 120.400 -0.188 0.000 2.103 211 D HA -0.102 4.536 4.640 -0.003 0.000 0.190 211 D C 2.540 178.534 176.300 -0.511 0.000 0.997 211 D CA 2.022 55.722 54.000 -0.501 0.000 0.833 211 D CB -0.995 39.574 40.800 -0.386 0.000 0.961 211 D HN 0.609 nan 8.370 nan 0.000 0.447 212 G N 0.740 109.358 108.800 -0.304 0.000 2.476 212 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.218 212 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.218 212 G C 1.685 176.477 174.900 -0.180 0.000 1.164 212 G CA 1.322 46.287 45.100 -0.226 0.000 0.768 212 G HN 0.222 nan 8.290 nan 0.000 0.560 213 M N 0.658 120.163 119.600 -0.158 0.000 2.117 213 M HA 0.024 4.503 4.480 -0.003 0.000 0.262 213 M C 2.875 179.120 176.300 -0.091 0.000 1.065 213 M CA 1.411 56.641 55.300 -0.116 0.000 1.114 213 M CB -0.595 31.944 32.600 -0.102 0.000 1.361 213 M HN 0.259 nan 8.290 nan 0.000 0.408 214 G N 0.385 109.120 108.800 -0.109 0.000 2.462 214 G HA2 -0.181 3.777 3.960 -0.003 0.000 0.220 214 G HA3 -0.181 3.777 3.960 -0.003 0.000 0.220 214 G C 1.512 176.460 174.900 0.080 0.000 1.121 214 G CA 0.763 45.892 45.100 0.047 0.000 0.758 214 G HN 0.403 nan 8.290 nan 0.000 0.559 215 M N 0.402 119.974 119.600 -0.047 0.000 2.248 215 M HA 0.200 4.678 4.480 -0.003 0.000 0.265 215 M C 3.063 179.444 176.300 0.135 0.000 1.079 215 M CA 1.012 56.353 55.300 0.068 0.000 1.150 215 M CB -0.219 32.382 32.600 0.002 0.000 1.366 215 M HN 0.225 nan 8.290 nan 0.000 0.433 216 A N 1.282 124.120 122.820 0.029 0.000 1.883 216 A HA -0.149 4.169 4.320 -0.003 0.000 0.217 216 A C 2.206 179.810 177.584 0.033 0.000 1.186 216 A CA 1.469 53.516 52.037 0.017 0.000 0.624 216 A CB -1.067 17.898 19.000 -0.058 0.000 0.822 216 A HN 0.432 nan 8.150 nan 0.000 0.444 217 L N 0.377 121.599 121.223 -0.002 0.000 1.990 217 L HA -0.237 4.101 4.340 -0.003 0.000 0.213 217 L C 3.013 179.885 176.870 0.004 0.000 1.072 217 L CA 2.000 56.830 54.840 -0.016 0.000 0.755 217 L CB -0.505 41.541 42.059 -0.021 0.000 0.889 217 L HN 0.650 nan 8.230 nan 0.000 0.432 218 S N -2.076 113.618 115.700 -0.010 0.000 2.500 218 S HA -0.189 4.279 4.470 -0.003 0.000 0.239 218 S C 1.418 175.881 174.600 -0.228 0.000 0.989 218 S CA 0.809 58.944 58.200 -0.109 0.000 0.951 218 S CB -0.505 62.609 63.200 -0.142 0.000 0.759 218 S HN 0.491 nan 8.310 nan 0.000 0.523 219 H N 0.621 119.693 119.070 0.003 0.000 2.542 219 H HA 0.346 4.900 4.556 -0.003 0.000 0.283 219 H C 1.578 176.914 175.328 0.014 0.000 1.059 219 H CA 0.218 56.267 56.048 0.002 0.000 1.162 219 H CB 0.221 29.974 29.762 -0.014 0.000 1.539 219 H HN 0.586 nan 8.280 nan 0.000 0.543 220 G N 1.357 110.221 108.800 0.106 0.000 2.147 220 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.244 220 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.244 220 G C 0.192 175.183 174.900 0.151 0.000 1.005 220 G CA 0.352 45.539 45.100 0.146 0.000 0.713 220 G HN 0.220 nan 8.290 nan 0.000 0.515 221 V N 2.661 122.602 119.914 0.046 0.000 2.498 221 V HA 0.480 4.598 4.120 -0.003 0.000 0.279 221 V C -1.155 174.788 176.094 -0.251 0.000 1.048 221 V CA -1.312 60.951 62.300 -0.061 0.000 0.967 221 V CB 1.618 33.398 31.823 -0.071 0.000 0.988 221 V HN 0.242 nan 8.190 nan 0.000 0.473 222 P HA 0.281 nan 4.420 nan 0.000 0.277 222 P C -0.956 176.089 177.300 -0.425 0.000 1.240 222 P CA -0.323 62.275 63.100 -0.837 0.000 0.798 222 P CB 1.016 31.995 31.700 -1.201 0.000 0.979 223 L N 2.466 123.477 121.223 -0.353 0.000 2.289 223 L HA 0.471 4.809 4.340 -0.003 0.000 0.285 223 L C 1.076 177.835 176.870 -0.186 0.000 1.049 223 L CA -0.687 54.025 54.840 -0.214 0.000 0.804 223 L CB 1.127 43.095 42.059 -0.153 0.000 1.195 223 L HN 0.379 nan 8.230 nan 0.000 0.428 224 R N 2.976 123.399 120.500 -0.129 0.000 2.346 224 R HA 0.188 4.526 4.340 -0.003 0.000 0.311 224 R C -0.632 175.684 176.300 0.027 0.000 0.983 224 R CA -0.375 55.685 56.100 -0.067 0.000 0.880 224 R CB 0.765 31.005 30.300 -0.099 0.000 1.100 224 R HN 0.647 nan 8.270 nan 0.000 0.453 225 D N 4.170 124.637 120.400 0.112 0.000 2.723 225 D HA -0.193 4.446 4.640 -0.003 0.000 0.236 225 D C 0.677 177.087 176.300 0.183 0.000 1.138 225 D CA 0.675 54.836 54.000 0.268 0.000 0.676 225 D CB -0.291 40.769 40.800 0.433 0.000 1.069 225 D HN 0.603 nan 8.370 nan 0.000 0.430 226 M N -0.266 119.349 119.600 0.025 0.000 2.460 226 M HA -0.110 4.368 4.480 -0.003 0.000 0.263 226 M C 2.120 178.386 176.300 -0.056 0.000 1.071 226 M CA 1.159 56.451 55.300 -0.014 0.000 1.096 226 M CB -0.373 32.201 32.600 -0.043 0.000 1.408 226 M HN 0.293 nan 8.290 nan 0.000 0.463 227 E N -0.206 119.870 120.200 -0.206 0.000 2.358 227 E HA -0.103 4.246 4.350 -0.003 0.000 0.195 227 E C -0.157 176.249 176.600 -0.323 0.000 1.010 227 E CA 0.314 56.517 56.400 -0.329 0.000 0.856 227 E CB -0.525 28.830 29.700 -0.575 0.000 0.795 227 E HN 0.357 nan 8.360 nan 0.000 0.504 228 F N 1.932 121.910 119.950 0.046 0.000 2.405 228 F HA 0.246 4.771 4.527 -0.004 0.000 0.358 228 F C -0.107 175.730 175.800 0.061 0.000 1.151 228 F CA -0.697 57.345 58.000 0.069 0.000 1.161 228 F CB 1.061 40.100 39.000 0.064 0.000 1.245 228 F HN -0.294 nan 8.300 nan 0.000 0.545 229 V N 3.525 123.562 119.914 0.206 0.000 2.448 229 V HA 0.301 4.419 4.120 -0.003 0.000 0.295 229 V C -0.307 175.866 176.094 0.132 0.000 1.025 229 V CA -0.952 61.409 62.300 0.101 0.000 0.859 229 V CB 1.697 33.533 31.823 0.021 0.000 0.988 229 V HN 0.619 nan 8.190 nan 0.000 0.431 230 Q N 2.993 122.859 119.800 0.110 0.000 2.278 230 Q HA 0.447 4.785 4.340 -0.003 0.000 0.257 230 Q C -1.701 174.359 176.000 0.100 0.000 0.928 230 Q CA -0.440 55.459 55.803 0.161 0.000 0.932 230 Q CB 0.952 29.818 28.738 0.214 0.000 1.221 230 Q HN 0.681 nan 8.270 nan 0.000 0.434 231 Y N 1.951 122.249 120.300 -0.004 0.000 2.323 231 Y HA 0.196 4.744 4.550 -0.002 0.000 0.331 231 Y C -0.258 175.639 175.900 -0.005 0.000 1.092 231 Y CA -0.491 57.600 58.100 -0.015 0.000 1.150 231 Y CB 1.091 39.499 38.460 -0.086 0.000 1.200 231 Y HN 0.657 nan 8.280 nan 0.000 0.472 232 H N 5.120 124.214 119.070 0.041 0.000 2.620 232 H HA 0.232 4.786 4.556 -0.003 0.000 0.313 232 H C -1.891 173.419 175.328 -0.031 0.000 1.075 232 H CA -2.031 53.961 56.048 -0.093 0.000 1.397 232 H CB 1.476 31.066 29.762 -0.287 0.000 1.446 232 H HN 0.378 nan 8.280 nan 0.000 0.493 233 P HA -0.110 nan 4.420 nan 0.000 0.218 233 P C -0.358 176.942 177.300 -0.001 0.000 1.148 233 P CA 1.391 64.413 63.100 -0.129 0.000 0.822 233 P CB 0.308 31.897 31.700 -0.185 0.000 0.784 234 T N -2.885 111.775 114.554 0.177 0.000 2.991 234 T HA 0.688 5.037 4.350 -0.003 0.000 0.347 234 T C -0.011 174.818 174.700 0.215 0.000 1.122 234 T CA -0.850 61.367 62.100 0.196 0.000 1.062 234 T CB 1.109 70.083 68.868 0.177 0.000 1.043 234 T HN 0.005 nan 8.240 nan 0.000 0.491 235 G N 2.739 111.601 108.800 0.103 0.000 2.519 235 G HA2 0.643 4.602 3.960 -0.003 0.000 0.307 235 G HA3 0.643 4.602 3.960 -0.003 0.000 0.307 235 G C -0.422 174.500 174.900 0.036 0.000 1.266 235 G CA -1.201 43.930 45.100 0.052 0.000 0.970 235 G HN 0.804 nan 8.290 nan 0.000 0.481 236 L N 1.440 122.685 121.223 0.037 0.000 2.483 236 L HA 0.197 4.535 4.340 -0.003 0.000 0.275 236 L C -1.840 175.047 176.870 0.029 0.000 1.220 236 L CA -1.279 53.590 54.840 0.048 0.000 0.833 236 L CB 0.737 42.825 42.059 0.048 0.000 1.102 236 L HN 0.264 nan 8.230 nan 0.000 0.490 237 P HA 0.161 nan 4.420 nan 0.000 0.275 237 P C 0.666 177.989 177.300 0.039 0.000 1.227 237 P CA 0.414 63.512 63.100 -0.002 0.000 0.781 237 P CB 1.313 33.029 31.700 0.026 0.000 0.906 238 G N 2.472 111.290 108.800 0.031 0.000 3.444 238 G HA2 -0.366 3.592 3.960 -0.003 0.000 0.222 238 G HA3 -0.366 3.592 3.960 -0.003 0.000 0.222 238 G C 1.485 176.549 174.900 0.274 0.000 1.358 238 G CA 0.832 46.069 45.100 0.229 0.000 0.880 238 G HN 0.628 nan 8.290 nan 0.000 0.555 239 S N 0.464 116.248 115.700 0.140 0.000 2.395 239 S HA 0.362 4.830 4.470 -0.003 0.000 0.225 239 S C 2.585 177.232 174.600 0.078 0.000 1.027 239 S CA 1.870 60.117 58.200 0.078 0.000 0.965 239 S CB -0.122 63.068 63.200 -0.017 0.000 0.812 239 S HN 2.662 nan 8.310 nan 0.000 0.482 240 G N 1.179 110.025 108.800 0.076 0.000 2.157 240 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.248 240 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.248 240 G C 0.058 174.972 174.900 0.022 0.000 0.979 240 G CA 0.072 45.212 45.100 0.067 0.000 0.650 240 G HN 0.605 nan 8.290 nan 0.000 0.529 241 I N 1.065 121.621 120.570 -0.023 0.000 2.741 241 I HA 0.115 4.283 4.170 -0.003 0.000 0.288 241 I C 1.272 177.379 176.117 -0.018 0.000 1.192 241 I CA -0.479 60.791 61.300 -0.049 0.000 1.426 241 I CB 0.545 38.446 38.000 -0.164 0.000 1.367 241 I HN 0.251 nan 8.210 nan 0.000 0.563 242 L N 8.694 129.904 121.223 -0.022 0.000 2.499 242 L HA 0.070 4.409 4.340 -0.003 0.000 0.273 242 L C -0.147 176.694 176.870 -0.048 0.000 1.195 242 L CA 1.018 55.796 54.840 -0.102 0.000 0.882 242 L CB 0.140 42.118 42.059 -0.135 0.000 1.133 242 L HN 0.478 nan 8.230 nan 0.000 0.483 243 M N 5.063 124.632 119.600 -0.053 0.000 2.114 243 M HA 0.198 4.677 4.480 -0.003 0.000 0.332 243 M C 0.131 176.480 176.300 0.081 0.000 1.014 243 M CA -0.251 55.082 55.300 0.055 0.000 0.956 243 M CB 0.919 33.584 32.600 0.107 0.000 1.551 243 M HN 0.750 nan 8.290 nan 0.000 0.427 244 T N 1.090 115.703 114.554 0.098 0.000 2.903 244 T HA 0.002 4.351 4.350 -0.003 0.000 0.314 244 T C 1.229 176.047 174.700 0.197 0.000 1.078 244 T CA 0.401 62.602 62.100 0.169 0.000 1.114 244 T CB 0.517 69.506 68.868 0.202 0.000 0.987 244 T HN 0.816 nan 8.240 nan 0.000 0.548 245 E N 2.011 122.333 120.200 0.203 0.000 2.333 245 E HA -0.047 4.301 4.350 -0.003 0.000 0.198 245 E C 2.052 178.511 176.600 -0.235 0.000 1.007 245 E CA 1.019 57.350 56.400 -0.114 0.000 0.845 245 E CB -0.655 28.798 29.700 -0.412 0.000 0.766 245 E HN 0.910 nan 8.360 nan 0.000 0.507 246 G N 0.448 109.264 108.800 0.027 0.000 2.475 246 G HA2 -0.335 3.624 3.960 -0.003 0.000 0.220 246 G HA3 -0.335 3.624 3.960 -0.003 0.000 0.220 246 G C 1.615 176.532 174.900 0.027 0.000 1.125 246 G CA 1.007 46.161 45.100 0.090 0.000 0.755 246 G HN 0.402 nan 8.290 nan 0.000 0.565 247 C N 0.000 119.327 119.300 0.045 0.000 2.413 247 C HA -0.009 4.450 4.460 -0.003 0.000 0.276 247 C C 2.973 177.964 174.990 0.002 0.000 1.236 247 C CA 0.921 59.961 59.018 0.036 0.000 1.735 247 C CB -0.909 26.867 27.740 0.060 0.000 2.031 247 C HN 0.480 nan 8.230 nan 0.000 0.474 248 R N 0.520 121.004 120.500 -0.026 0.000 2.092 248 R HA -0.042 4.296 4.340 -0.003 0.000 0.231 248 R C 2.466 178.724 176.300 -0.070 0.000 1.119 248 R CA 1.472 57.544 56.100 -0.048 0.000 0.970 248 R CB -0.718 29.535 30.300 -0.078 0.000 0.864 248 R HN 0.626 nan 8.270 nan 0.000 0.440 249 G N 0.944 109.675 108.800 -0.116 0.000 2.501 249 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.220 249 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.220 249 G C 1.077 175.949 174.900 -0.048 0.000 1.114 249 G CA 0.560 45.593 45.100 -0.112 0.000 0.757 249 G HN 0.217 nan 8.290 nan 0.000 0.559 250 E N -0.300 119.886 120.200 -0.023 0.000 2.472 250 E HA 0.207 4.555 4.350 -0.003 0.000 0.196 250 E C 1.440 178.042 176.600 0.003 0.000 1.033 250 E CA 0.512 56.911 56.400 -0.003 0.000 0.886 250 E CB 0.353 30.060 29.700 0.012 0.000 0.944 250 E HN 0.402 nan 8.360 nan 0.000 0.492 251 G N 1.101 109.902 108.800 0.002 0.000 2.309 251 G HA2 -0.125 3.833 3.960 -0.003 0.000 0.183 251 G HA3 -0.125 3.833 3.960 -0.003 0.000 0.183 251 G C 0.403 175.338 174.900 0.059 0.000 1.063 251 G CA -0.215 44.900 45.100 0.024 0.000 0.768 251 G HN 0.412 nan 8.290 nan 0.000 0.490 252 G N -0.461 108.366 108.800 0.045 0.000 2.451 252 G HA2 0.854 4.813 3.960 -0.003 0.000 0.303 252 G HA3 0.854 4.813 3.960 -0.003 0.000 0.303 252 G C 0.290 175.256 174.900 0.110 0.000 1.166 252 G CA -0.377 44.774 45.100 0.085 0.000 0.884 252 G HN 1.427 nan 8.290 nan 0.000 0.514 253 I N -1.844 118.829 120.570 0.172 0.000 2.740 253 I HA 0.721 4.890 4.170 -0.003 0.000 0.303 253 I C -1.040 175.115 176.117 0.063 0.000 1.044 253 I CA -1.295 60.053 61.300 0.080 0.000 1.064 253 I CB 2.314 40.332 38.000 0.030 0.000 1.249 253 I HN 0.192 nan 8.210 nan 0.000 0.433 254 L N 5.817 127.015 121.223 -0.043 0.000 2.333 254 L HA 0.759 5.098 4.340 -0.003 0.000 0.280 254 L C -0.543 176.246 176.870 -0.135 0.000 1.004 254 L CA -0.864 53.951 54.840 -0.043 0.000 0.820 254 L CB 1.865 43.852 42.059 -0.120 0.000 1.247 254 L HN 0.631 nan 8.230 nan 0.000 0.416 255 V N -0.503 119.500 119.914 0.148 0.000 3.007 255 V HA 0.634 4.752 4.120 -0.003 0.000 0.311 255 V C -0.526 175.805 176.094 0.394 0.000 1.120 255 V CA -0.977 61.462 62.300 0.231 0.000 0.980 255 V CB 1.764 33.687 31.823 0.166 0.000 1.033 255 V HN 0.780 nan 8.190 nan 0.000 0.429 256 N N 2.379 121.321 118.700 0.403 0.000 2.374 256 N HA 0.169 4.907 4.740 -0.003 0.000 0.284 256 N C 0.918 176.530 175.510 0.170 0.000 1.280 256 N CA -0.030 53.164 53.050 0.240 0.000 0.963 256 N CB 0.210 38.823 38.487 0.210 0.000 1.141 256 N HN 0.928 nan 8.380 nan 0.000 0.565 257 K N -1.252 119.196 120.400 0.080 0.000 2.281 257 K HA -0.049 4.269 4.320 -0.003 0.000 0.203 257 K C 0.298 176.967 176.600 0.115 0.000 1.046 257 K CA 1.219 57.557 56.287 0.086 0.000 0.938 257 K CB -0.271 32.241 32.500 0.020 0.000 0.737 257 K HN 0.342 nan 8.250 nan 0.000 0.458 258 N N 0.616 119.386 118.700 0.117 0.000 2.336 258 N HA 0.035 4.774 4.740 -0.003 0.000 0.189 258 N C 0.650 176.255 175.510 0.158 0.000 1.113 258 N CA 0.857 53.975 53.050 0.114 0.000 0.858 258 N CB 0.927 39.462 38.487 0.080 0.000 0.970 258 N HN 0.545 nan 8.380 nan 0.000 0.471 259 G N 1.216 110.128 108.800 0.188 0.000 2.187 259 G HA2 -0.339 3.619 3.960 -0.003 0.000 0.261 259 G HA3 -0.339 3.619 3.960 -0.003 0.000 0.261 259 G C -0.109 174.893 174.900 0.170 0.000 1.000 259 G CA 0.469 45.671 45.100 0.170 0.000 0.718 259 G HN 0.570 nan 8.290 nan 0.000 0.519 260 Y N 1.770 122.119 120.300 0.082 0.000 2.365 260 Y HA 0.549 5.097 4.550 -0.003 0.000 0.340 260 Y C 1.037 176.988 175.900 0.085 0.000 1.016 260 Y CA -1.181 56.958 58.100 0.066 0.000 1.196 260 Y CB 0.516 39.014 38.460 0.063 0.000 1.167 260 Y HN 0.224 nan 8.280 nan 0.000 0.509 261 R N 6.569 126.817 120.500 -0.420 0.000 2.507 261 R HA -0.094 4.245 4.340 -0.003 0.000 0.341 261 R C 0.023 175.974 176.300 -0.581 0.000 0.960 261 R CA 0.429 56.264 56.100 -0.442 0.000 1.032 261 R CB -0.207 29.869 30.300 -0.373 0.000 0.933 261 R HN 0.894 nan 8.270 nan 0.000 0.418 262 Y N 1.028 121.264 120.300 -0.107 0.000 2.544 262 Y HA 0.058 4.606 4.550 -0.003 0.000 0.286 262 Y C 1.233 177.234 175.900 0.167 0.000 1.141 262 Y CA 0.263 58.433 58.100 0.116 0.000 1.299 262 Y CB -0.188 38.456 38.460 0.306 0.000 1.030 262 Y HN 0.407 nan 8.280 nan 0.000 0.543 263 L N 1.254 122.472 121.223 -0.008 0.000 2.291 263 L HA -0.156 4.182 4.340 -0.003 0.000 0.214 263 L C 2.676 179.627 176.870 0.134 0.000 1.120 263 L CA 1.282 56.224 54.840 0.170 0.000 0.799 263 L CB -0.558 41.487 42.059 -0.025 0.000 0.925 263 L HN 0.410 nan 8.230 nan 0.000 0.446 264 Q N -0.718 119.081 119.800 -0.002 0.000 2.291 264 Q HA -0.217 4.121 4.340 -0.003 0.000 0.206 264 Q C 0.989 176.975 176.000 -0.024 0.000 0.976 264 Q CA 1.431 57.231 55.803 -0.006 0.000 0.875 264 Q CB -0.304 28.404 28.738 -0.051 0.000 0.927 264 Q HN 0.389 nan 8.270 nan 0.000 0.450 265 D N 0.624 120.949 120.400 -0.124 0.000 2.219 265 D HA -0.101 4.537 4.640 -0.003 0.000 0.205 265 D C 0.278 176.295 176.300 -0.472 0.000 0.970 265 D CA 0.967 54.742 54.000 -0.375 0.000 0.851 265 D CB 0.010 40.415 40.800 -0.659 0.000 0.943 265 D HN 0.483 nan 8.370 nan 0.000 0.488 266 Y N -0.878 119.467 120.300 0.076 0.000 2.756 266 Y HA 0.404 4.952 4.550 -0.003 0.000 0.300 266 Y C 1.648 177.561 175.900 0.022 0.000 1.113 266 Y CA -0.201 57.915 58.100 0.027 0.000 1.291 266 Y CB 0.604 39.066 38.460 0.004 0.000 1.175 266 Y HN -0.053 nan 8.280 nan 0.000 0.534 267 G N 0.195 109.051 108.800 0.095 0.000 2.179 267 G HA2 -0.353 3.605 3.960 -0.003 0.000 0.260 267 G HA3 -0.353 3.605 3.960 -0.003 0.000 0.260 267 G C 0.767 175.711 174.900 0.073 0.000 0.977 267 G CA 0.469 45.614 45.100 0.075 0.000 0.641 267 G HN 0.465 nan 8.290 nan 0.000 0.533 268 M N 1.309 120.966 119.600 0.095 0.000 2.563 268 M HA 0.283 4.761 4.480 -0.003 0.000 0.231 268 M C 1.709 178.085 176.300 0.128 0.000 1.136 268 M CA 0.614 55.962 55.300 0.080 0.000 1.026 268 M CB 0.332 32.983 32.600 0.084 0.000 1.597 268 M HN 0.335 nan 8.290 nan 0.000 0.495 269 G N 1.414 110.283 108.800 0.114 0.000 2.616 269 G HA2 0.432 4.391 3.960 -0.003 0.000 0.268 269 G HA3 0.432 4.391 3.960 -0.003 0.000 0.268 269 G C -2.557 172.451 174.900 0.179 0.000 1.213 269 G CA -0.871 44.293 45.100 0.107 0.000 0.926 269 G HN 0.100 nan 8.290 nan 0.000 0.523 270 P HA 0.253 nan 4.420 nan 0.000 0.282 270 P C -0.324 176.970 177.300 -0.010 0.000 1.259 270 P CA -0.701 62.409 63.100 0.017 0.000 0.826 270 P CB 1.123 32.813 31.700 -0.016 0.000 1.064 271 E N 0.441 120.622 120.200 -0.033 0.000 2.465 271 E HA 0.086 4.435 4.350 -0.003 0.000 0.260 271 E C -0.236 176.328 176.600 -0.060 0.000 0.980 271 E CA 0.096 56.461 56.400 -0.057 0.000 0.927 271 E CB 0.300 29.950 29.700 -0.085 0.000 0.934 271 E HN 0.448 nan 8.360 nan 0.000 0.459 272 T N 2.893 117.413 114.554 -0.056 0.000 2.907 272 T HA 0.417 4.765 4.350 -0.003 0.000 0.284 272 T C -2.270 172.398 174.700 -0.052 0.000 1.004 272 T CA -1.876 60.188 62.100 -0.060 0.000 1.063 272 T CB 1.246 70.085 68.868 -0.048 0.000 0.992 272 T HN 0.304 nan 8.240 nan 0.000 0.483 273 P HA 0.087 nan 4.420 nan 0.000 0.266 273 P C 1.096 178.381 177.300 -0.025 0.000 1.193 273 P CA -0.288 62.790 63.100 -0.037 0.000 0.770 273 P CB 0.668 32.348 31.700 -0.033 0.000 0.836 274 L N 2.010 123.221 121.223 -0.021 0.000 1.990 274 L HA -0.204 4.134 4.340 -0.003 0.000 0.213 274 L C 2.707 179.596 176.870 0.030 0.000 1.072 274 L CA 2.401 57.244 54.840 0.005 0.000 0.755 274 L CB -1.403 40.661 42.059 0.008 0.000 0.889 274 L HN 0.564 nan 8.230 nan 0.000 0.432 275 G N -1.001 107.811 108.800 0.020 0.000 2.448 275 G HA2 -0.131 3.827 3.960 -0.003 0.000 0.218 275 G HA3 -0.131 3.827 3.960 -0.003 0.000 0.218 275 G C 0.537 175.442 174.900 0.007 0.000 1.135 275 G CA 0.125 45.236 45.100 0.019 0.000 0.784 275 G HN 0.368 nan 8.290 nan 0.000 0.543 276 E N 1.254 121.452 120.200 -0.004 0.000 2.173 276 E HA 0.277 4.626 4.350 -0.003 0.000 0.249 276 E C -2.614 173.977 176.600 -0.016 0.000 0.923 276 E CA -1.856 54.536 56.400 -0.013 0.000 0.754 276 E CB 2.005 31.691 29.700 -0.023 0.000 1.177 276 E HN 0.173 nan 8.360 nan 0.000 0.430 277 P HA 0.232 nan 4.420 nan 0.000 0.297 277 P C -0.939 176.363 177.300 0.003 0.000 1.319 277 P CA -0.686 62.413 63.100 -0.003 0.000 0.810 277 P CB 1.156 32.855 31.700 -0.001 0.000 0.947 278 K N 2.661 123.074 120.400 0.022 0.000 2.182 278 K HA 0.261 4.580 4.320 -0.003 0.000 0.262 278 K C 0.193 176.866 176.600 0.121 0.000 0.957 278 K CA -0.799 55.520 56.287 0.054 0.000 0.842 278 K CB 1.023 33.532 32.500 0.014 0.000 1.099 278 K HN 0.413 nan 8.250 nan 0.000 0.438 279 N N 2.759 121.519 118.700 0.101 0.000 2.454 279 N HA -0.110 4.628 4.740 -0.003 0.000 0.254 279 N C -0.158 175.415 175.510 0.105 0.000 1.228 279 N CA 0.885 53.978 53.050 0.072 0.000 0.900 279 N CB 0.349 38.859 38.487 0.037 0.000 1.089 279 N HN 0.819 nan 8.380 nan 0.000 0.449 280 K N 0.112 120.504 120.400 -0.013 0.000 3.547 280 K HA -0.252 4.066 4.320 -0.003 0.000 0.309 280 K C -1.437 174.957 176.600 -0.343 0.000 1.324 280 K CA 1.337 57.524 56.287 -0.166 0.000 0.988 280 K CB -2.042 30.329 32.500 -0.215 0.000 1.261 280 K HN 0.474 nan 8.250 nan 0.000 0.444 281 Y N 0.810 121.100 120.300 -0.016 0.000 2.409 281 Y HA 0.474 5.023 4.550 -0.003 0.000 0.343 281 Y C 1.482 177.365 175.900 -0.028 0.000 0.973 281 Y CA -0.618 57.472 58.100 -0.016 0.000 1.064 281 Y CB 1.233 39.682 38.460 -0.017 0.000 1.207 281 Y HN -0.022 nan 8.280 nan 0.000 0.452 282 M N -0.222 119.447 119.600 0.115 0.000 7.319 282 M HA -0.418 4.060 4.480 -0.003 0.000 0.297 282 M C 1.270 177.565 176.300 -0.008 0.000 0.480 282 M CA 1.798 57.118 55.300 0.033 0.000 1.311 282 M CB -1.414 31.191 32.600 0.009 0.000 0.421 282 M HN 0.792 nan 8.290 nan 0.000 0.598 283 E N 0.825 121.010 120.200 -0.026 0.000 2.418 283 E HA 0.134 4.482 4.350 -0.003 0.000 0.197 283 E C 1.549 178.121 176.600 -0.047 0.000 1.026 283 E CA 0.658 57.032 56.400 -0.043 0.000 0.862 283 E CB -0.143 29.532 29.700 -0.042 0.000 0.799 283 E HN 0.528 nan 8.360 nan 0.000 0.518 284 L N -0.510 120.693 121.223 -0.032 0.000 2.818 284 L HA 0.328 4.666 4.340 -0.003 0.000 0.243 284 L C 1.071 177.907 176.870 -0.057 0.000 1.185 284 L CA -0.588 54.220 54.840 -0.053 0.000 0.988 284 L CB 0.066 42.104 42.059 -0.036 0.000 1.292 284 L HN 0.006 nan 8.230 nan 0.000 0.519 285 G N 1.152 109.923 108.800 -0.050 0.000 2.636 285 G HA2 0.277 4.236 3.960 -0.003 0.000 0.246 285 G HA3 0.277 4.236 3.960 -0.003 0.000 0.246 285 G C -2.293 172.570 174.900 -0.062 0.000 1.216 285 G CA -0.672 44.392 45.100 -0.061 0.000 0.854 285 G HN -0.042 nan 8.290 nan 0.000 0.572 286 P HA 0.065 nan 4.420 nan 0.000 0.267 286 P C 0.869 178.133 177.300 -0.059 0.000 1.200 286 P CA -0.316 62.751 63.100 -0.054 0.000 0.772 286 P CB 0.952 32.627 31.700 -0.041 0.000 0.855 287 R N 1.722 122.180 120.500 -0.069 0.000 2.115 287 R HA -0.209 4.129 4.340 -0.003 0.000 0.239 287 R C 1.527 177.784 176.300 -0.070 0.000 1.133 287 R CA 2.254 58.301 56.100 -0.088 0.000 0.935 287 R CB -0.493 29.759 30.300 -0.079 0.000 0.853 287 R HN 0.473 nan 8.270 nan 0.000 0.433 288 D N 0.139 120.505 120.400 -0.056 0.000 2.104 288 D HA -0.165 4.473 4.640 -0.003 0.000 0.194 288 D C 1.837 178.093 176.300 -0.073 0.000 0.994 288 D CA 1.152 55.109 54.000 -0.071 0.000 0.830 288 D CB -0.121 40.642 40.800 -0.061 0.000 0.959 288 D HN 0.205 nan 8.370 nan 0.000 0.452 289 K N 0.685 121.057 120.400 -0.046 0.000 2.032 289 K HA -0.089 4.230 4.320 -0.003 0.000 0.209 289 K C 2.331 178.919 176.600 -0.020 0.000 1.048 289 K CA 0.518 56.787 56.287 -0.030 0.000 0.927 289 K CB -0.748 31.746 32.500 -0.010 0.000 0.712 289 K HN 0.109 nan 8.250 nan 0.000 0.441 290 V N 1.657 121.570 119.914 -0.001 0.000 2.343 290 V HA -0.221 3.897 4.120 -0.003 0.000 0.247 290 V C 2.390 178.531 176.094 0.079 0.000 1.051 290 V CA 1.813 64.147 62.300 0.055 0.000 1.036 290 V CB -0.493 31.346 31.823 0.027 0.000 0.654 290 V HN 0.263 nan 8.190 nan 0.000 0.451 291 S N -0.390 115.315 115.700 0.007 0.000 2.353 291 S HA -0.328 4.140 4.470 -0.003 0.000 0.222 291 S C 1.989 176.617 174.600 0.047 0.000 1.035 291 S CA 1.909 60.102 58.200 -0.011 0.000 1.025 291 S CB -0.428 62.714 63.200 -0.097 0.000 0.902 291 S HN 0.658 nan 8.310 nan 0.000 0.440 292 Q N 0.835 120.628 119.800 -0.011 0.000 2.112 292 Q HA -0.131 4.208 4.340 -0.003 0.000 0.206 292 Q C 2.518 178.681 176.000 0.272 0.000 0.987 292 Q CA 1.487 57.360 55.803 0.117 0.000 0.858 292 Q CB -0.464 28.306 28.738 0.054 0.000 0.905 292 Q HN 0.616 nan 8.270 nan 0.000 0.420 293 A N 0.538 123.343 122.820 -0.025 0.000 1.940 293 A HA -0.226 4.092 4.320 -0.003 0.000 0.219 293 A C 1.871 179.389 177.584 -0.109 0.000 1.176 293 A CA 1.366 53.181 52.037 -0.369 0.000 0.631 293 A CB -0.894 17.934 19.000 -0.287 0.000 0.814 293 A HN 0.508 nan 8.150 nan 0.000 0.446 294 F N -1.326 118.598 119.950 -0.044 0.000 2.095 294 F HA -0.203 4.323 4.527 -0.002 0.000 0.298 294 F C 2.009 177.860 175.800 0.085 0.000 1.104 294 F CA 2.118 60.083 58.000 -0.058 0.000 1.232 294 F CB -0.369 38.648 39.000 0.029 0.000 0.987 294 F HN 0.455 nan 8.300 nan 0.000 0.475 295 W N 0.935 122.386 121.300 0.252 0.000 2.363 295 W HA -0.182 4.477 4.660 -0.002 0.000 0.296 295 W C 2.752 179.347 176.519 0.126 0.000 1.212 295 W CA 2.275 59.745 57.345 0.208 0.000 1.260 295 W CB -0.592 29.005 29.460 0.229 0.000 1.131 295 W HN 0.101 nan 8.180 nan 0.000 0.530 296 H N -0.587 118.619 119.070 0.228 0.000 2.353 296 H HA -0.127 4.427 4.556 -0.003 0.000 0.300 296 H C 1.929 177.238 175.328 -0.032 0.000 1.090 296 H CA 1.655 57.760 56.048 0.095 0.000 1.327 296 H CB -0.182 29.616 29.762 0.060 0.000 1.383 296 H HN 0.163 nan 8.280 nan 0.000 0.508 297 E N 0.161 120.350 120.200 -0.018 0.000 2.208 297 E HA -0.150 4.199 4.350 -0.003 0.000 0.193 297 E C 2.033 178.454 176.600 -0.298 0.000 0.988 297 E CA 0.222 56.516 56.400 -0.176 0.000 0.828 297 E CB -0.248 29.213 29.700 -0.397 0.000 0.763 297 E HN 0.539 nan 8.360 nan 0.000 0.478 298 W N 2.089 123.052 121.300 -0.562 0.000 2.381 298 W HA -0.144 4.514 4.660 -0.002 0.000 0.301 298 W C 2.069 178.312 176.519 -0.461 0.000 1.205 298 W CA 1.196 58.194 57.345 -0.577 0.000 1.285 298 W CB 0.040 29.121 29.460 -0.630 0.000 1.133 298 W HN -0.127 nan 8.180 nan 0.000 0.521 299 R N 0.727 120.995 120.500 -0.387 0.000 2.127 299 R HA -0.133 4.206 4.340 -0.003 0.000 0.238 299 R C 1.817 177.828 176.300 -0.482 0.000 1.134 299 R CA 1.640 57.422 56.100 -0.531 0.000 0.975 299 R CB -0.644 29.418 30.300 -0.396 0.000 0.865 299 R HN 0.355 nan 8.270 nan 0.000 0.447 300 K N -0.717 119.475 120.400 -0.346 0.000 2.432 300 K HA 0.052 4.371 4.320 -0.003 0.000 0.196 300 K C 0.855 177.281 176.600 -0.290 0.000 1.038 300 K CA 0.642 56.777 56.287 -0.253 0.000 0.986 300 K CB 0.296 32.707 32.500 -0.147 0.000 0.782 300 K HN 0.323 nan 8.250 nan 0.000 0.485 301 G N 2.099 110.653 108.800 -0.410 0.000 2.182 301 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.248 301 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.248 301 G C 0.260 175.003 174.900 -0.261 0.000 1.042 301 G CA 0.154 45.033 45.100 -0.368 0.000 0.775 301 G HN 0.246 nan 8.290 nan 0.000 0.501 302 N N -0.066 118.480 118.700 -0.256 0.000 2.325 302 N HA 0.104 4.842 4.740 -0.003 0.000 0.182 302 N C 1.343 176.748 175.510 -0.176 0.000 1.088 302 N CA 1.069 54.014 53.050 -0.174 0.000 0.879 302 N CB 0.359 38.767 38.487 -0.131 0.000 0.983 302 N HN 0.766 nan 8.380 nan 0.000 0.471 303 T N -0.555 113.851 114.554 -0.248 0.000 2.897 303 T HA 0.455 4.803 4.350 -0.003 0.000 0.294 303 T C 0.546 175.158 174.700 -0.147 0.000 1.004 303 T CA -0.633 61.336 62.100 -0.220 0.000 1.106 303 T CB 0.979 69.694 68.868 -0.255 0.000 0.949 303 T HN -0.125 nan 8.240 nan 0.000 0.520 304 I N 2.587 123.071 120.570 -0.143 0.000 2.588 304 I HA 0.239 4.407 4.170 -0.003 0.000 0.283 304 I C 0.938 177.020 176.117 -0.060 0.000 1.119 304 I CA 0.269 61.501 61.300 -0.114 0.000 1.419 304 I CB 0.950 38.818 38.000 -0.220 0.000 1.394 304 I HN 0.686 nan 8.210 nan 0.000 0.562 305 S N 4.281 119.969 115.700 -0.020 0.000 2.422 305 S HA 0.588 5.056 4.470 -0.003 0.000 0.308 305 S C -0.085 174.537 174.600 0.037 0.000 1.097 305 S CA -0.629 57.580 58.200 0.014 0.000 1.099 305 S CB 0.097 63.300 63.200 0.005 0.000 0.976 305 S HN 0.773 nan 8.310 nan 0.000 0.471 306 T N 2.774 117.360 114.554 0.052 0.000 2.950 306 T HA 0.571 4.919 4.350 -0.003 0.000 0.288 306 T C -2.239 172.500 174.700 0.065 0.000 1.035 306 T CA -1.965 60.175 62.100 0.066 0.000 1.028 306 T CB 1.085 70.002 68.868 0.082 0.000 1.109 306 T HN 0.266 nan 8.240 nan 0.000 0.514 307 P HA 0.108 nan 4.420 nan 0.000 0.229 307 P C 0.890 178.234 177.300 0.074 0.000 1.150 307 P CA 0.597 63.736 63.100 0.065 0.000 0.765 307 P CB 0.132 31.869 31.700 0.062 0.000 0.783 308 R N -1.182 119.363 120.500 0.075 0.000 2.508 308 R HA 0.403 4.742 4.340 -0.003 0.000 0.300 308 R C 0.323 176.651 176.300 0.047 0.000 0.970 308 R CA 0.278 56.424 56.100 0.077 0.000 1.102 308 R CB 0.576 30.927 30.300 0.084 0.000 1.246 308 R HN 0.179 nan 8.270 nan 0.000 0.539 309 G N 0.589 109.420 108.800 0.053 0.000 2.355 309 G HA2 -0.156 3.803 3.960 -0.003 0.000 0.619 309 G HA3 -0.156 3.803 3.960 -0.003 0.000 0.619 309 G C -1.780 173.169 174.900 0.082 0.000 1.337 309 G CA -1.036 44.092 45.100 0.046 0.000 0.993 309 G HN 0.077 nan 8.290 nan 0.000 0.599 310 D N 0.157 120.643 120.400 0.143 0.000 2.308 310 D HA 0.504 5.143 4.640 -0.003 0.000 0.251 310 D C 0.800 177.254 176.300 0.256 0.000 1.127 310 D CA 0.657 54.771 54.000 0.189 0.000 0.876 310 D CB 1.621 42.608 40.800 0.312 0.000 1.176 310 D HN 1.152 nan 8.370 nan 0.000 0.446 311 V N -0.208 119.789 119.914 0.139 0.000 3.040 311 V HA 0.813 4.932 4.120 -0.003 0.000 0.312 311 V C -0.143 175.986 176.094 0.058 0.000 1.115 311 V CA -1.056 61.333 62.300 0.149 0.000 0.998 311 V CB 1.642 33.468 31.823 0.005 0.000 1.042 311 V HN 0.305 nan 8.190 nan 0.000 0.433 312 V N 0.195 120.233 119.914 0.208 0.000 2.881 312 V HA 0.688 4.806 4.120 -0.003 0.000 0.316 312 V C -1.069 175.082 176.094 0.095 0.000 1.070 312 V CA -0.760 61.620 62.300 0.133 0.000 0.976 312 V CB 1.583 33.652 31.823 0.410 0.000 1.038 312 V HN 0.824 nan 8.190 nan 0.000 0.446 313 Y N 2.841 123.281 120.300 0.234 0.000 2.341 313 Y HA 0.640 5.188 4.550 -0.003 0.000 0.340 313 Y C -0.054 175.946 175.900 0.167 0.000 0.997 313 Y CA -1.253 56.953 58.100 0.177 0.000 1.149 313 Y CB 1.609 40.155 38.460 0.144 0.000 1.171 313 Y HN 0.681 nan 8.280 nan 0.000 0.494 314 L N 5.075 126.494 121.223 0.327 0.000 2.282 314 L HA 0.364 4.702 4.340 -0.003 0.000 0.287 314 L C -0.523 176.465 176.870 0.197 0.000 1.075 314 L CA -0.332 54.641 54.840 0.221 0.000 0.839 314 L CB -0.075 42.087 42.059 0.171 0.000 1.219 314 L HN 0.476 nan 8.230 nan 0.000 0.434 315 D N 3.874 124.413 120.400 0.232 0.000 2.308 315 D HA 0.283 4.921 4.640 -0.003 0.000 0.251 315 D C 0.477 176.888 176.300 0.186 0.000 1.127 315 D CA 0.205 54.372 54.000 0.277 0.000 0.876 315 D CB 0.975 41.999 40.800 0.374 0.000 1.176 315 D HN 0.648 nan 8.370 nan 0.000 0.446 316 L N 3.421 124.576 121.223 -0.114 0.000 3.327 316 L HA 0.152 4.491 4.340 -0.003 0.000 0.299 316 L C 2.160 178.791 176.870 -0.399 0.000 1.201 316 L CA -0.284 54.327 54.840 -0.382 0.000 1.059 316 L CB 0.145 42.128 42.059 -0.127 0.000 1.488 316 L HN 0.375 nan 8.230 nan 0.000 0.609 317 R N 0.964 121.354 120.500 -0.184 0.000 2.193 317 R HA -0.154 4.184 4.340 -0.003 0.000 0.229 317 R C 1.574 177.846 176.300 -0.047 0.000 1.110 317 R CA 1.660 57.722 56.100 -0.064 0.000 0.988 317 R CB -0.703 29.605 30.300 0.014 0.000 0.871 317 R HN 0.548 nan 8.270 nan 0.000 0.458 318 H N -0.287 118.791 119.070 0.013 0.000 2.553 318 H HA 0.109 4.663 4.556 -0.003 0.000 0.269 318 H C 1.354 176.690 175.328 0.013 0.000 1.011 318 H CA -0.023 56.031 56.048 0.010 0.000 1.150 318 H CB 0.161 29.927 29.762 0.007 0.000 1.339 318 H HN 0.168 nan 8.280 nan 0.000 0.604 319 L N 0.806 121.901 121.223 -0.212 0.000 2.116 319 L HA 0.245 4.583 4.340 -0.003 0.000 0.200 319 L C 1.119 177.971 176.870 -0.029 0.000 1.084 319 L CA 1.757 56.533 54.840 -0.107 0.000 0.766 319 L CB -0.904 41.075 42.059 -0.132 0.000 0.930 319 L HN 0.631 nan 8.230 nan 0.000 0.453 320 G N -0.603 108.184 108.800 -0.023 0.000 2.484 320 G HA2 -0.110 3.848 3.960 -0.003 0.000 0.685 320 G HA3 -0.110 3.848 3.960 -0.003 0.000 0.685 320 G C 0.407 175.309 174.900 0.004 0.000 1.294 320 G CA -0.147 44.950 45.100 -0.005 0.000 0.879 320 G HN 0.132 nan 8.290 nan 0.000 0.646 321 E N 0.828 121.015 120.200 -0.022 0.000 2.023 321 E HA -0.145 4.203 4.350 -0.003 0.000 0.196 321 E C 2.291 178.782 176.600 -0.182 0.000 1.003 321 E CA 1.666 58.020 56.400 -0.077 0.000 0.809 321 E CB -0.267 29.338 29.700 -0.157 0.000 0.755 321 E HN 0.470 nan 8.360 nan 0.000 0.449 322 K N 1.104 121.406 120.400 -0.164 0.000 2.147 322 K HA -0.086 4.232 4.320 -0.003 0.000 0.205 322 K C 2.067 178.662 176.600 -0.009 0.000 1.049 322 K CA 1.104 57.311 56.287 -0.133 0.000 0.936 322 K CB -0.173 32.279 32.500 -0.079 0.000 0.722 322 K HN 0.032 nan 8.250 nan 0.000 0.446 323 K N 0.224 120.637 120.400 0.022 0.000 2.062 323 K HA -0.020 4.298 4.320 -0.003 0.000 0.205 323 K C 1.788 178.450 176.600 0.104 0.000 1.051 323 K CA 0.894 57.213 56.287 0.054 0.000 0.941 323 K CB -0.007 32.512 32.500 0.032 0.000 0.719 323 K HN 0.008 nan 8.250 nan 0.000 0.440 324 L N -0.078 121.238 121.223 0.155 0.000 2.046 324 L HA -0.207 4.131 4.340 -0.003 0.000 0.208 324 L C 2.215 179.221 176.870 0.227 0.000 1.077 324 L CA 1.355 56.311 54.840 0.193 0.000 0.747 324 L CB -0.628 41.567 42.059 0.226 0.000 0.896 324 L HN 0.248 nan 8.230 nan 0.000 0.432 325 H N -0.948 118.148 119.070 0.043 0.000 2.462 325 H HA -0.104 4.451 4.556 -0.003 0.000 0.292 325 H C 2.131 177.500 175.328 0.067 0.000 1.049 325 H CA 0.960 57.038 56.048 0.051 0.000 1.334 325 H CB 0.007 29.791 29.762 0.037 0.000 1.404 325 H HN 0.382 nan 8.280 nan 0.000 0.544 326 E N 0.132 120.447 120.200 0.192 0.000 2.112 326 E HA -0.062 4.286 4.350 -0.003 0.000 0.190 326 E C 1.306 177.998 176.600 0.153 0.000 0.979 326 E CA 0.691 57.180 56.400 0.149 0.000 0.814 326 E CB 0.346 30.117 29.700 0.120 0.000 0.762 326 E HN 0.219 nan 8.360 nan 0.000 0.460 327 R N -1.239 119.348 120.500 0.146 0.000 2.507 327 R HA 0.307 4.645 4.340 -0.003 0.000 0.230 327 R C 0.572 176.957 176.300 0.141 0.000 0.897 327 R CA 0.118 56.310 56.100 0.153 0.000 1.006 327 R CB 0.885 31.263 30.300 0.129 0.000 1.341 327 R HN 0.017 nan 8.270 nan 0.000 0.604 328 L N 1.479 122.776 121.223 0.123 0.000 3.209 328 L HA 0.352 4.690 4.340 -0.003 0.000 0.279 328 L C -1.733 175.190 176.870 0.089 0.000 1.301 328 L CA -0.862 54.047 54.840 0.116 0.000 1.004 328 L CB 1.132 43.249 42.059 0.096 0.000 1.402 328 L HN -0.046 nan 8.230 nan 0.000 0.577 329 P HA -0.174 nan 4.420 nan 0.000 0.220 329 P C 1.604 178.912 177.300 0.015 0.000 1.152 329 P CA 0.959 64.036 63.100 -0.038 0.000 0.812 329 P CB 0.252 31.925 31.700 -0.044 0.000 0.792 330 F N 1.329 121.264 119.950 -0.026 0.000 2.075 330 F HA -0.198 4.327 4.527 -0.003 0.000 0.297 330 F C 2.188 177.991 175.800 0.006 0.000 1.113 330 F CA 1.375 59.368 58.000 -0.013 0.000 1.218 330 F CB -0.594 38.408 39.000 0.003 0.000 0.984 330 F HN -0.304 nan 8.300 nan 0.000 0.472 331 I N 0.284 121.022 120.570 0.280 0.000 2.194 331 I HA -0.379 3.789 4.170 -0.003 0.000 0.246 331 I C 2.644 178.805 176.117 0.072 0.000 1.093 331 I CA 1.269 62.682 61.300 0.189 0.000 1.355 331 I CB -2.103 35.992 38.000 0.158 0.000 1.046 331 I HN 0.321 nan 8.210 nan 0.000 0.413 332 C N 0.693 120.002 119.300 0.015 0.000 2.413 332 C HA -0.164 4.295 4.460 -0.003 0.000 0.276 332 C C 2.631 177.587 174.990 -0.058 0.000 1.236 332 C CA 0.629 59.630 59.018 -0.029 0.000 1.735 332 C CB -1.257 26.431 27.740 -0.086 0.000 2.031 332 C HN 0.527 nan 8.230 nan 0.000 0.474 333 E N 0.625 120.750 120.200 -0.125 0.000 2.208 333 E HA -0.094 4.254 4.350 -0.003 0.000 0.193 333 E C 2.107 178.624 176.600 -0.140 0.000 0.988 333 E CA 0.755 57.052 56.400 -0.172 0.000 0.828 333 E CB -0.185 29.352 29.700 -0.272 0.000 0.763 333 E HN 0.648 nan 8.360 nan 0.000 0.478 334 L N 0.719 121.892 121.223 -0.083 0.000 2.005 334 L HA -0.166 4.173 4.340 -0.003 0.000 0.207 334 L C 2.677 179.653 176.870 0.177 0.000 1.072 334 L CA 1.055 55.974 54.840 0.130 0.000 0.744 334 L CB -0.559 41.613 42.059 0.190 0.000 0.895 334 L HN 0.133 nan 8.230 nan 0.000 0.433 335 A N 0.148 123.031 122.820 0.105 0.000 1.892 335 A HA -0.262 4.057 4.320 -0.003 0.000 0.218 335 A C 2.323 179.941 177.584 0.056 0.000 1.188 335 A CA 1.965 54.059 52.037 0.097 0.000 0.631 335 A CB -0.472 18.570 19.000 0.069 0.000 0.822 335 A HN 0.321 nan 8.150 nan 0.000 0.447 336 K N -0.704 119.698 120.400 0.003 0.000 2.097 336 K HA -0.082 4.236 4.320 -0.003 0.000 0.206 336 K C 2.298 178.861 176.600 -0.061 0.000 1.049 336 K CA 1.168 57.438 56.287 -0.027 0.000 0.933 336 K CB -0.266 32.205 32.500 -0.049 0.000 0.717 336 K HN 0.488 nan 8.250 nan 0.000 0.442 337 A N 0.194 122.938 122.820 -0.126 0.000 1.861 337 A HA -0.076 4.243 4.320 -0.003 0.000 0.212 337 A C 1.853 179.278 177.584 -0.265 0.000 1.199 337 A CA 0.935 52.806 52.037 -0.278 0.000 0.613 337 A CB -0.599 18.088 19.000 -0.521 0.000 0.846 337 A HN 0.247 nan 8.150 nan 0.000 0.446 338 Y N -0.461 119.845 120.300 0.009 0.000 2.365 338 Y HA 0.017 4.565 4.550 -0.003 0.000 0.293 338 Y C 2.057 177.981 175.900 0.041 0.000 1.119 338 Y CA 1.299 59.416 58.100 0.029 0.000 1.203 338 Y CB 0.394 38.877 38.460 0.038 0.000 1.026 338 Y HN 0.232 nan 8.280 nan 0.000 0.549 339 V N -4.429 115.592 119.914 0.178 0.000 3.432 339 V HA 0.549 4.667 4.120 -0.003 0.000 0.298 339 V C 1.162 177.308 176.094 0.087 0.000 1.464 339 V CA 0.088 62.468 62.300 0.135 0.000 1.046 339 V CB 0.100 32.011 31.823 0.146 0.000 0.887 339 V HN 0.315 nan 8.190 nan 0.000 0.441 340 G N 0.826 109.659 108.800 0.055 0.000 2.295 340 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.287 340 G HA3 -0.166 3.792 3.960 -0.003 0.000 0.287 340 G C -0.175 174.742 174.900 0.028 0.000 1.055 340 G CA 0.427 45.543 45.100 0.027 0.000 0.922 340 G HN 0.981 nan 8.290 nan 0.000 0.503 341 V N 0.123 120.057 119.914 0.033 0.000 2.531 341 V HA 0.516 4.634 4.120 -0.003 0.000 0.301 341 V C -0.473 175.632 176.094 0.019 0.000 1.034 341 V CA -0.835 61.483 62.300 0.029 0.000 0.865 341 V CB 2.067 33.919 31.823 0.048 0.000 0.995 341 V HN 0.373 nan 8.190 nan 0.000 0.424 342 D N 6.467 126.872 120.400 0.009 0.000 2.359 342 D HA 0.408 5.046 4.640 -0.003 0.000 0.230 342 D C -2.075 174.231 176.300 0.010 0.000 1.118 342 D CA -2.239 51.767 54.000 0.009 0.000 0.844 342 D CB 2.195 42.999 40.800 0.007 0.000 1.059 342 D HN 0.214 nan 8.370 nan 0.000 0.493 343 P HA -0.012 nan 4.420 nan 0.000 0.269 343 P C 0.446 177.749 177.300 0.004 0.000 1.376 343 P CA 0.325 63.430 63.100 0.008 0.000 0.775 343 P CB 0.352 32.061 31.700 0.015 0.000 1.345 344 V N -1.279 118.643 119.914 0.013 0.000 3.371 344 V HA 0.121 4.240 4.120 -0.003 0.000 0.246 344 V C 2.026 178.127 176.094 0.011 0.000 1.303 344 V CA 0.905 63.214 62.300 0.016 0.000 1.156 344 V CB 0.152 31.994 31.823 0.032 0.000 0.929 344 V HN 0.031 nan 8.190 nan 0.000 0.459 345 K N 0.975 121.380 120.400 0.008 0.000 2.329 345 K HA 0.183 4.501 4.320 -0.003 0.000 0.198 345 K C 0.441 177.038 176.600 -0.005 0.000 1.085 345 K CA 0.658 56.947 56.287 0.004 0.000 0.961 345 K CB 0.917 33.419 32.500 0.003 0.000 0.971 345 K HN 0.741 nan 8.250 nan 0.000 0.502 346 E N 0.781 120.973 120.200 -0.014 0.000 2.429 346 E HA 0.436 4.785 4.350 -0.003 0.000 0.276 346 E C -2.837 173.727 176.600 -0.059 0.000 0.953 346 E CA -2.338 54.037 56.400 -0.042 0.000 0.787 346 E CB 1.998 31.671 29.700 -0.044 0.000 1.307 346 E HN -0.180 nan 8.360 nan 0.000 0.458 347 P HA 0.269 nan 4.420 nan 0.000 0.278 347 P C -0.514 176.722 177.300 -0.107 0.000 1.238 347 P CA -0.328 62.666 63.100 -0.177 0.000 0.794 347 P CB 0.846 32.259 31.700 -0.478 0.000 0.955 348 I N 3.471 124.079 120.570 0.064 0.000 2.321 348 I HA 0.281 4.449 4.170 -0.003 0.000 0.291 348 I C -2.229 174.096 176.117 0.348 0.000 0.998 348 I CA -2.833 58.567 61.300 0.167 0.000 1.227 348 I CB 1.200 39.283 38.000 0.139 0.000 1.368 348 I HN 0.064 nan 8.210 nan 0.000 0.466 349 P HA 0.147 nan 4.420 nan 0.000 0.271 349 P C -0.773 176.650 177.300 0.205 0.000 1.220 349 P CA -0.077 63.229 63.100 0.343 0.000 0.768 349 P CB 0.832 32.697 31.700 0.276 0.000 0.848 350 V N 1.291 121.308 119.914 0.172 0.000 3.147 350 V HA 0.914 5.032 4.120 -0.003 0.000 0.306 350 V C -0.878 175.256 176.094 0.067 0.000 1.209 350 V CA -1.137 61.233 62.300 0.118 0.000 1.023 350 V CB 2.617 34.523 31.823 0.138 0.000 1.059 350 V HN 0.720 nan 8.190 nan 0.000 0.435 351 R N 0.789 121.256 120.500 -0.056 0.000 2.747 351 R HA 0.725 5.063 4.340 -0.003 0.000 0.272 351 R C -3.364 172.741 176.300 -0.326 0.000 1.032 351 R CA -1.777 54.113 56.100 -0.350 0.000 0.896 351 R CB 1.260 31.274 30.300 -0.477 0.000 1.253 351 R HN 0.462 nan 8.270 nan 0.000 0.461 352 P HA 0.183 nan 4.420 nan 0.000 0.268 352 P C -1.077 176.220 177.300 -0.006 0.000 1.205 352 P CA 0.113 63.091 63.100 -0.203 0.000 0.771 352 P CB 0.932 32.458 31.700 -0.289 0.000 0.858 353 T N 0.830 115.486 114.554 0.170 0.000 2.993 353 T HA 0.565 4.913 4.350 -0.003 0.000 0.312 353 T C -0.734 173.924 174.700 -0.070 0.000 1.115 353 T CA -0.565 61.599 62.100 0.107 0.000 1.027 353 T CB 1.575 70.483 68.868 0.065 0.000 1.116 353 T HN 0.313 nan 8.240 nan 0.000 0.464 354 A N 1.422 123.976 122.820 -0.444 0.000 2.492 354 A HA 0.438 4.756 4.320 -0.003 0.000 0.254 354 A C 0.455 177.832 177.584 -0.346 0.000 1.091 354 A CA 0.417 51.901 52.037 -0.922 0.000 0.768 354 A CB -0.165 18.133 19.000 -1.170 0.000 1.028 354 A HN 1.103 nan 8.150 nan 0.000 0.498 355 H N 1.550 120.416 119.070 -0.339 0.000 2.247 355 H HA 0.350 4.905 4.556 -0.002 0.000 0.267 355 H C -0.695 174.639 175.328 0.010 0.000 0.952 355 H CA 0.846 56.847 56.048 -0.078 0.000 1.250 355 H CB 0.285 30.081 29.762 0.058 0.000 1.441 355 H HN 0.673 nan 8.280 nan 0.000 0.553 356 Y N 0.606 120.824 120.300 -0.136 0.000 2.512 356 Y HA 0.431 4.979 4.550 -0.002 0.000 0.348 356 Y C -1.043 174.788 175.900 -0.115 0.000 0.990 356 Y CA -0.937 57.067 58.100 -0.160 0.000 1.033 356 Y CB 2.058 40.494 38.460 -0.040 0.000 1.259 356 Y HN 0.047 nan 8.280 nan 0.000 0.461 357 T N 7.234 121.322 114.554 -0.778 0.000 2.891 357 T HA 0.149 4.497 4.350 -0.003 0.000 0.315 357 T C 0.908 175.304 174.700 -0.507 0.000 1.054 357 T CA -0.386 61.418 62.100 -0.493 0.000 0.958 357 T CB 0.538 69.172 68.868 -0.390 0.000 1.008 357 T HN 0.744 nan 8.240 nan 0.000 0.521 358 M N 2.155 121.716 119.600 -0.065 0.000 2.175 358 M HA 0.122 4.600 4.480 -0.003 0.000 0.264 358 M C 1.807 178.137 176.300 0.050 0.000 1.063 358 M CA 0.897 56.255 55.300 0.098 0.000 1.119 358 M CB -0.416 32.303 32.600 0.198 0.000 1.377 358 M HN 0.703 nan 8.290 nan 0.000 0.415 359 G N -1.040 107.785 108.800 0.041 0.000 2.631 359 G HA2 0.483 4.441 3.960 -0.003 0.000 0.271 359 G HA3 0.483 4.441 3.960 -0.003 0.000 0.271 359 G C 0.071 174.936 174.900 -0.058 0.000 1.302 359 G CA -0.052 45.061 45.100 0.022 0.000 1.002 359 G HN 0.640 nan 8.290 nan 0.000 0.519 360 G N -1.969 106.791 108.800 -0.067 0.000 2.359 360 G HA2 0.298 4.256 3.960 -0.003 0.000 0.293 360 G HA3 0.298 4.256 3.960 -0.003 0.000 0.293 360 G C -0.618 174.219 174.900 -0.105 0.000 1.300 360 G CA -0.778 44.264 45.100 -0.096 0.000 0.888 360 G HN 0.775 nan 8.290 nan 0.000 0.541 361 I N 1.296 121.800 120.570 -0.111 0.000 2.741 361 I HA 0.058 4.226 4.170 -0.003 0.000 0.288 361 I C 1.158 177.199 176.117 -0.127 0.000 1.192 361 I CA 0.311 61.538 61.300 -0.121 0.000 1.426 361 I CB 0.686 38.621 38.000 -0.108 0.000 1.367 361 I HN 0.566 nan 8.210 nan 0.000 0.563 362 E N 6.562 126.673 120.200 -0.148 0.000 2.366 362 E HA 0.102 4.450 4.350 -0.003 0.000 0.266 362 E C -0.636 175.883 176.600 -0.135 0.000 1.015 362 E CA -0.161 56.148 56.400 -0.151 0.000 0.906 362 E CB 0.685 30.285 29.700 -0.167 0.000 0.979 362 E HN 0.700 nan 8.360 nan 0.000 0.443 363 T N 1.553 116.029 114.554 -0.131 0.000 2.909 363 T HA 0.271 4.619 4.350 -0.003 0.000 0.299 363 T C -0.316 174.324 174.700 -0.100 0.000 1.073 363 T CA -1.134 60.900 62.100 -0.110 0.000 0.999 363 T CB 1.582 70.401 68.868 -0.082 0.000 1.098 363 T HN 0.502 nan 8.240 nan 0.000 0.477 364 D N 1.357 121.709 120.400 -0.079 0.000 2.447 364 D HA 0.140 4.778 4.640 -0.003 0.000 0.265 364 D C 1.096 177.379 176.300 -0.028 0.000 1.250 364 D CA -0.492 53.475 54.000 -0.055 0.000 1.046 364 D CB 0.363 41.133 40.800 -0.050 0.000 1.095 364 D HN 0.466 nan 8.370 nan 0.000 0.555 365 Q N -0.811 118.980 119.800 -0.016 0.000 2.376 365 Q HA -0.102 4.236 4.340 -0.003 0.000 0.211 365 Q C 1.061 177.057 176.000 -0.006 0.000 0.986 365 Q CA 1.483 57.281 55.803 -0.008 0.000 0.886 365 Q CB -0.519 28.205 28.738 -0.023 0.000 0.927 365 Q HN 0.517 nan 8.270 nan 0.000 0.457 366 N N -1.775 116.940 118.700 0.025 0.000 2.280 366 N HA 0.105 4.844 4.740 -0.003 0.000 0.192 366 N C -0.463 175.179 175.510 0.220 0.000 1.109 366 N CA 0.143 53.245 53.050 0.087 0.000 0.855 366 N CB 0.481 39.042 38.487 0.123 0.000 0.974 366 N HN 0.131 nan 8.380 nan 0.000 0.482 367 C N 0.822 120.218 119.300 0.161 0.000 4.497 367 C HA -0.167 4.291 4.460 -0.003 0.000 0.268 367 C C 0.531 175.633 174.990 0.188 0.000 1.343 367 C CA 0.198 59.336 59.018 0.200 0.000 1.742 367 C CB -2.576 25.334 27.740 0.284 0.000 1.450 367 C HN 0.541 nan 8.230 nan 0.000 0.733 368 E N 1.198 121.381 120.200 -0.027 0.000 2.249 368 E HA 0.454 4.802 4.350 -0.003 0.000 0.280 368 E C 0.963 177.376 176.600 -0.312 0.000 1.016 368 E CA 0.449 56.561 56.400 -0.480 0.000 0.830 368 E CB 1.076 30.458 29.700 -0.531 0.000 1.081 368 E HN 0.565 nan 8.360 nan 0.000 0.395 369 T N 1.281 115.620 114.554 -0.358 0.000 2.729 369 T HA 0.188 4.536 4.350 -0.003 0.000 0.298 369 T C 1.120 175.695 174.700 -0.209 0.000 1.013 369 T CA -0.338 61.623 62.100 -0.233 0.000 0.957 369 T CB 0.746 69.488 68.868 -0.210 0.000 1.130 369 T HN 0.546 nan 8.240 nan 0.000 0.526 370 R N -0.473 119.942 120.500 -0.142 0.000 2.148 370 R HA 0.165 4.503 4.340 -0.003 0.000 0.227 370 R C 0.450 176.678 176.300 -0.121 0.000 1.103 370 R CA 0.634 56.673 56.100 -0.101 0.000 0.983 370 R CB -0.536 29.740 30.300 -0.040 0.000 0.874 370 R HN 0.588 nan 8.270 nan 0.000 0.451 371 I N 2.310 122.787 120.570 -0.155 0.000 2.396 371 I HA 0.033 4.202 4.170 -0.003 0.000 0.289 371 I C 0.251 176.193 176.117 -0.292 0.000 1.056 371 I CA -0.575 60.615 61.300 -0.182 0.000 1.365 371 I CB 0.858 38.757 38.000 -0.168 0.000 1.407 371 I HN -0.183 nan 8.210 nan 0.000 0.509 372 K N 5.028 125.244 120.400 -0.308 0.000 2.472 372 K HA 0.184 4.502 4.320 -0.003 0.000 0.280 372 K C 0.968 177.121 176.600 -0.745 0.000 1.028 372 K CA 1.205 57.225 56.287 -0.445 0.000 1.045 372 K CB 0.109 32.415 32.500 -0.323 0.000 0.902 372 K HN 0.833 nan 8.250 nan 0.000 0.478 373 G N 2.733 111.188 108.800 -0.576 0.000 2.176 373 G HA2 -0.258 3.701 3.960 -0.003 0.000 0.253 373 G HA3 -0.258 3.701 3.960 -0.003 0.000 0.253 373 G C -0.598 174.137 174.900 -0.276 0.000 0.979 373 G CA 0.164 45.041 45.100 -0.373 0.000 0.641 373 G HN 0.534 nan 8.290 nan 0.000 0.530 374 L N 0.822 121.766 121.223 -0.465 0.000 2.296 374 L HA 0.887 5.226 4.340 -0.003 0.000 0.286 374 L C -0.727 175.839 176.870 -0.506 0.000 1.023 374 L CA -1.386 53.261 54.840 -0.321 0.000 0.812 374 L CB 0.748 42.653 42.059 -0.257 0.000 1.223 374 L HN 0.020 nan 8.230 nan 0.000 0.421 375 F N 3.610 123.504 119.950 -0.093 0.000 2.546 375 F HA 0.831 5.355 4.527 -0.006 0.000 0.320 375 F C 0.173 175.929 175.800 -0.074 0.000 1.076 375 F CA -0.541 57.414 58.000 -0.074 0.000 0.928 375 F CB 2.124 41.092 39.000 -0.055 0.000 1.189 375 F HN 0.578 nan 8.300 nan 0.000 0.465 376 A N 2.041 124.927 122.820 0.110 0.000 2.356 376 A HA 0.832 5.151 4.320 -0.003 0.000 0.310 376 A C -1.698 175.915 177.584 0.049 0.000 1.075 376 A CA -0.797 51.261 52.037 0.036 0.000 0.746 376 A CB 1.730 20.710 19.000 -0.034 0.000 1.221 376 A HN 0.679 nan 8.150 nan 0.000 0.443 377 V N 1.843 121.778 119.914 0.035 0.000 3.049 377 V HA 0.864 4.982 4.120 -0.003 0.000 0.309 377 V C 0.546 176.657 176.094 0.029 0.000 1.148 377 V CA 1.113 63.440 62.300 0.046 0.000 0.990 377 V CB 1.806 33.682 31.823 0.088 0.000 1.039 377 V HN 2.764 nan 8.190 nan 0.000 0.430 378 G N 3.769 112.596 108.800 0.045 0.000 2.527 378 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.227 378 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.227 378 G C 0.560 175.476 174.900 0.026 0.000 1.291 378 G CA 0.674 45.811 45.100 0.061 0.000 0.904 378 G HN 1.052 nan 8.290 nan 0.000 0.577 379 E N -0.509 119.694 120.200 0.004 0.000 2.150 379 E HA -0.115 4.234 4.350 -0.003 0.000 0.193 379 E C 2.706 179.211 176.600 -0.159 0.000 0.985 379 E CA 1.959 58.294 56.400 -0.108 0.000 0.814 379 E CB -0.329 29.258 29.700 -0.188 0.000 0.752 379 E HN 0.921 nan 8.360 nan 0.000 0.466 380 C N 0.854 120.088 119.300 -0.110 0.000 2.437 380 C HA 0.062 4.520 4.460 -0.003 0.000 0.283 380 C C 1.665 176.595 174.990 -0.100 0.000 1.424 380 C CA -0.007 58.943 59.018 -0.113 0.000 1.782 380 C CB -1.374 26.306 27.740 -0.099 0.000 1.833 380 C HN 0.276 nan 8.230 nan 0.000 0.532 381 S N 0.286 115.937 115.700 -0.081 0.000 2.730 381 S HA 0.564 5.033 4.470 -0.003 0.000 0.284 381 S C -0.284 174.265 174.600 -0.085 0.000 1.153 381 S CA 0.153 58.305 58.200 -0.081 0.000 0.995 381 S CB 1.362 64.521 63.200 -0.068 0.000 1.058 381 S HN 0.634 nan 8.310 nan 0.000 0.552 382 S N 0.765 116.405 115.700 -0.100 0.000 2.524 382 S HA 0.335 4.803 4.470 -0.003 0.000 0.227 382 S C 0.439 174.948 174.600 -0.153 0.000 1.304 382 S CA -0.401 57.738 58.200 -0.102 0.000 1.185 382 S CB -0.004 63.142 63.200 -0.090 0.000 1.104 382 S HN 1.124 nan 8.310 nan 0.000 0.475 383 V N 2.046 121.836 119.914 -0.206 0.000 2.951 383 V HA 0.428 4.547 4.120 -0.003 0.000 0.255 383 V C 1.640 177.596 176.094 -0.230 0.000 1.088 383 V CA 1.015 63.153 62.300 -0.271 0.000 1.109 383 V CB -0.942 30.561 31.823 -0.534 0.000 0.724 383 V HN 1.325 nan 8.190 nan 0.000 0.471 384 G N 0.273 108.951 108.800 -0.202 0.000 2.168 384 G HA2 -0.229 3.729 3.960 -0.003 0.000 0.197 384 G HA3 -0.229 3.729 3.960 -0.003 0.000 0.197 384 G C 0.370 175.176 174.900 -0.157 0.000 0.997 384 G CA 0.347 45.362 45.100 -0.141 0.000 0.658 384 G HN 0.594 nan 8.290 nan 0.000 0.513 385 L N 0.131 121.177 121.223 -0.294 0.000 2.044 385 L HA 0.233 4.572 4.340 -0.003 0.000 0.205 385 L C 2.361 178.942 176.870 -0.482 0.000 1.075 385 L CA 2.645 57.202 54.840 -0.473 0.000 0.747 385 L CB -0.457 41.118 42.059 -0.806 0.000 0.903 385 L HN 0.361 nan 8.230 nan 0.000 0.435 386 H N -0.395 118.553 119.070 -0.202 0.000 2.482 386 H HA 0.244 4.798 4.556 -0.003 0.000 0.286 386 H C 1.571 176.798 175.328 -0.167 0.000 1.017 386 H CA 0.702 56.648 56.048 -0.170 0.000 1.322 386 H CB -0.195 29.516 29.762 -0.085 0.000 1.426 386 H HN 0.513 nan 8.280 nan 0.000 0.546 387 G N 0.995 109.772 108.800 -0.038 0.000 2.583 387 G HA2 -0.407 3.551 3.960 -0.003 0.000 0.292 387 G HA3 -0.407 3.551 3.960 -0.003 0.000 0.292 387 G C 1.350 176.051 174.900 -0.332 0.000 1.203 387 G CA 1.384 46.408 45.100 -0.126 0.000 0.987 387 G HN 0.568 nan 8.290 nan 0.000 0.554 388 A N -0.242 122.261 122.820 -0.528 0.000 2.119 388 A HA 0.437 4.755 4.320 -0.003 0.000 0.216 388 A C 1.048 178.369 177.584 -0.439 0.000 1.152 388 A CA 2.111 53.544 52.037 -1.006 0.000 0.708 388 A CB -0.166 18.390 19.000 -0.740 0.000 0.805 388 A HN 1.366 nan 8.150 nan 0.000 0.460 389 N N -1.276 117.306 118.700 -0.197 0.000 2.516 389 N HA 0.211 4.949 4.740 -0.003 0.000 0.268 389 N C -1.301 174.196 175.510 -0.021 0.000 1.096 389 N CA -0.504 52.512 53.050 -0.055 0.000 0.954 389 N CB 1.285 39.750 38.487 -0.036 0.000 1.676 389 N HN 0.273 nan 8.380 nan 0.000 0.490 390 R N 2.929 123.427 120.500 -0.002 0.000 2.297 390 R HA 0.422 4.760 4.340 -0.003 0.000 0.308 390 R C -0.646 175.649 176.300 -0.009 0.000 1.029 390 R CA -0.540 55.560 56.100 0.000 0.000 0.929 390 R CB 0.552 30.663 30.300 -0.315 0.000 1.046 390 R HN 0.513 nan 8.270 nan 0.000 0.461 391 L N 3.706 124.955 121.223 0.043 0.000 2.410 391 L HA 0.216 4.554 4.340 -0.003 0.000 0.273 391 L C 0.655 177.565 176.870 0.067 0.000 1.152 391 L CA 0.746 55.614 54.840 0.047 0.000 0.855 391 L CB 1.134 43.234 42.059 0.068 0.000 1.129 391 L HN 0.834 nan 8.230 nan 0.000 0.463 392 G N 2.694 111.543 108.800 0.083 0.000 2.305 392 G HA2 0.315 4.273 3.960 -0.003 0.000 0.243 392 G HA3 0.315 4.273 3.960 -0.003 0.000 0.243 392 G C 0.705 175.716 174.900 0.186 0.000 1.288 392 G CA 0.423 45.608 45.100 0.143 0.000 0.901 392 G HN 1.477 nan 8.290 nan 0.000 0.516 393 S N 0.871 116.658 115.700 0.146 0.000 3.018 393 S HA -0.237 4.231 4.470 -0.003 0.000 0.274 393 S C 1.202 175.904 174.600 0.171 0.000 1.300 393 S CA 1.093 59.362 58.200 0.115 0.000 1.179 393 S CB -1.777 61.469 63.200 0.076 0.000 1.427 393 S HN 0.629 nan 8.310 nan 0.000 0.668 394 N N 1.140 119.959 118.700 0.199 0.000 2.415 394 N HA 0.201 4.939 4.740 -0.003 0.000 0.176 394 N C 1.636 177.314 175.510 0.280 0.000 1.042 394 N CA 1.080 54.312 53.050 0.304 0.000 0.902 394 N CB -0.091 38.539 38.487 0.238 0.000 0.986 394 N HN 0.638 nan 8.380 nan 0.000 0.447 395 S N 0.561 116.360 115.700 0.165 0.000 2.348 395 S HA 0.025 4.494 4.470 -0.003 0.000 0.221 395 S C 1.952 176.674 174.600 0.203 0.000 1.033 395 S CA 0.753 59.040 58.200 0.144 0.000 1.010 395 S CB -0.244 62.923 63.200 -0.054 0.000 0.891 395 S HN 0.216 nan 8.310 nan 0.000 0.442 396 L N 1.301 122.626 121.223 0.170 0.000 1.990 396 L HA -0.155 4.183 4.340 -0.003 0.000 0.213 396 L C 2.990 179.990 176.870 0.218 0.000 1.072 396 L CA 1.454 56.398 54.840 0.175 0.000 0.755 396 L CB -0.830 41.319 42.059 0.150 0.000 0.889 396 L HN 0.446 nan 8.230 nan 0.000 0.432 397 A N -0.261 122.710 122.820 0.251 0.000 1.892 397 A HA -0.326 3.992 4.320 -0.003 0.000 0.218 397 A C 2.276 180.134 177.584 0.457 0.000 1.188 397 A CA 2.249 54.462 52.037 0.293 0.000 0.631 397 A CB -0.720 18.497 19.000 0.362 0.000 0.822 397 A HN 0.558 nan 8.150 nan 0.000 0.447 398 E N 0.005 120.544 120.200 0.564 0.000 2.058 398 E HA -0.210 4.139 4.350 -0.003 0.000 0.194 398 E C 1.977 178.849 176.600 0.454 0.000 0.997 398 E CA 1.407 58.160 56.400 0.589 0.000 0.801 398 E CB -0.313 29.569 29.700 0.302 0.000 0.746 398 E HN 0.646 nan 8.360 nan 0.000 0.450 399 L N 0.799 122.206 121.223 0.307 0.000 1.997 399 L HA -0.244 4.094 4.340 -0.003 0.000 0.216 399 L C 2.852 179.852 176.870 0.217 0.000 1.074 399 L CA 1.908 56.887 54.840 0.232 0.000 0.763 399 L CB -1.043 41.122 42.059 0.178 0.000 0.890 399 L HN 0.254 nan 8.230 nan 0.000 0.434 400 V N -4.276 115.758 119.914 0.200 0.000 2.591 400 V HA -0.078 4.040 4.120 -0.003 0.000 0.249 400 V C 2.220 178.391 176.094 0.129 0.000 1.053 400 V CA 0.999 63.392 62.300 0.155 0.000 1.068 400 V CB -0.339 31.559 31.823 0.125 0.000 0.689 400 V HN 0.189 nan 8.190 nan 0.000 0.462 401 V N -0.278 119.734 119.914 0.162 0.000 2.302 401 V HA -0.046 4.072 4.120 -0.003 0.000 0.243 401 V C 2.344 178.432 176.094 -0.011 0.000 1.036 401 V CA 2.274 64.609 62.300 0.059 0.000 1.020 401 V CB -0.688 31.177 31.823 0.070 0.000 0.657 401 V HN 0.492 nan 8.190 nan 0.000 0.453 402 F N 0.879 120.938 119.950 0.182 0.000 2.512 402 F HA 0.186 4.711 4.527 -0.004 0.000 0.296 402 F C 2.296 178.135 175.800 0.064 0.000 1.110 402 F CA 0.904 58.978 58.000 0.123 0.000 1.446 402 F CB -0.816 38.254 39.000 0.116 0.000 1.092 402 F HN 0.178 nan 8.300 nan 0.000 0.554 403 G N 0.129 109.061 108.800 0.220 0.000 2.446 403 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.217 403 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.217 403 G C 1.839 176.773 174.900 0.056 0.000 1.168 403 G CA 0.699 45.870 45.100 0.119 0.000 0.771 403 G HN 0.213 nan 8.290 nan 0.000 0.551 404 R N -0.402 120.132 120.500 0.057 0.000 2.083 404 R HA -0.042 4.296 4.340 -0.003 0.000 0.237 404 R C 2.494 178.782 176.300 -0.020 0.000 1.137 404 R CA 1.529 57.643 56.100 0.023 0.000 0.951 404 R CB -0.423 29.897 30.300 0.033 0.000 0.851 404 R HN 0.366 nan 8.270 nan 0.000 0.434 405 L N 0.785 121.990 121.223 -0.030 0.000 2.027 405 L HA -0.030 4.308 4.340 -0.003 0.000 0.206 405 L C 2.339 179.150 176.870 -0.099 0.000 1.074 405 L CA 2.092 56.888 54.840 -0.073 0.000 0.745 405 L CB -0.752 41.221 42.059 -0.144 0.000 0.898 405 L HN 0.242 nan 8.230 nan 0.000 0.433 406 A N -0.412 122.372 122.820 -0.060 0.000 1.892 406 A HA -0.159 4.159 4.320 -0.003 0.000 0.218 406 A C 2.357 179.748 177.584 -0.323 0.000 1.188 406 A CA 1.861 53.791 52.037 -0.178 0.000 0.631 406 A CB -1.694 17.275 19.000 -0.051 0.000 0.822 406 A HN 0.531 nan 8.150 nan 0.000 0.447 407 G N -0.839 107.850 108.800 -0.184 0.000 2.422 407 G HA2 -0.206 3.753 3.960 -0.003 0.000 0.218 407 G HA3 -0.206 3.753 3.960 -0.003 0.000 0.218 407 G C 1.463 176.250 174.900 -0.188 0.000 1.146 407 G CA 1.054 46.047 45.100 -0.179 0.000 0.769 407 G HN 0.675 nan 8.290 nan 0.000 0.547 408 E N -0.293 119.815 120.200 -0.154 0.000 2.076 408 E HA -0.064 4.284 4.350 -0.003 0.000 0.190 408 E C 2.739 179.252 176.600 -0.146 0.000 0.979 408 E CA 0.572 56.901 56.400 -0.118 0.000 0.807 408 E CB -0.010 29.648 29.700 -0.071 0.000 0.761 408 E HN 0.289 nan 8.360 nan 0.000 0.454 409 Q N 0.098 119.769 119.800 -0.216 0.000 2.123 409 Q HA -0.050 4.288 4.340 -0.003 0.000 0.199 409 Q C 2.169 177.996 176.000 -0.289 0.000 0.966 409 Q CA 1.160 56.842 55.803 -0.202 0.000 0.845 409 Q CB -0.176 28.467 28.738 -0.158 0.000 0.907 409 Q HN 0.214 nan 8.270 nan 0.000 0.439 410 A N 0.443 122.885 122.820 -0.629 0.000 2.019 410 A HA -0.120 4.198 4.320 -0.003 0.000 0.219 410 A C 2.221 179.723 177.584 -0.137 0.000 1.164 410 A CA 1.749 53.486 52.037 -0.498 0.000 0.644 410 A CB -0.527 18.105 19.000 -0.614 0.000 0.805 410 A HN 0.356 nan 8.150 nan 0.000 0.449 411 T N -0.293 114.182 114.554 -0.132 0.000 2.904 411 T HA -0.079 4.269 4.350 -0.003 0.000 0.267 411 T C 1.715 176.404 174.700 -0.018 0.000 1.059 411 T CA 1.345 63.409 62.100 -0.059 0.000 1.137 411 T CB -0.136 68.694 68.868 -0.064 0.000 0.879 411 T HN 0.620 nan 8.240 nan 0.000 0.467 412 E N 0.748 120.938 120.200 -0.017 0.000 2.072 412 E HA -0.091 4.257 4.350 -0.003 0.000 0.191 412 E C 2.491 179.123 176.600 0.054 0.000 0.985 412 E CA 0.773 57.183 56.400 0.017 0.000 0.801 412 E CB -0.047 29.664 29.700 0.018 0.000 0.750 412 E HN 0.113 nan 8.360 nan 0.000 0.452 413 R N 0.722 121.277 120.500 0.093 0.000 2.115 413 R HA -0.037 4.301 4.340 -0.003 0.000 0.230 413 R C 1.960 178.345 176.300 0.140 0.000 1.111 413 R CA 1.286 57.477 56.100 0.151 0.000 0.976 413 R CB -0.398 30.062 30.300 0.268 0.000 0.870 413 R HN 0.134 nan 8.270 nan 0.000 0.445 414 A N -0.119 122.765 122.820 0.107 0.000 1.930 414 A HA -0.022 4.296 4.320 -0.003 0.000 0.217 414 A C 2.241 179.859 177.584 0.057 0.000 1.175 414 A CA 1.590 53.679 52.037 0.088 0.000 0.627 414 A CB -0.777 18.256 19.000 0.056 0.000 0.815 414 A HN 0.411 nan 8.150 nan 0.000 0.443 415 A N -0.543 122.303 122.820 0.043 0.000 2.014 415 A HA 0.031 4.349 4.320 -0.003 0.000 0.218 415 A C 2.048 179.647 177.584 0.026 0.000 1.163 415 A CA 1.987 54.041 52.037 0.028 0.000 0.652 415 A CB -0.758 18.254 19.000 0.021 0.000 0.808 415 A HN 0.763 nan 8.150 nan 0.000 0.449 416 T N -4.175 110.402 114.554 0.038 0.000 3.176 416 T HA 0.573 4.921 4.350 -0.003 0.000 0.263 416 T C 1.324 176.041 174.700 0.030 0.000 1.021 416 T CA 0.635 62.754 62.100 0.031 0.000 0.905 416 T CB 0.476 69.366 68.868 0.037 0.000 1.057 416 T HN 0.363 nan 8.240 nan 0.000 0.558 417 A N 1.565 124.401 122.820 0.026 0.000 1.929 417 A HA 0.547 4.866 4.320 -0.003 0.000 0.216 417 A C 1.790 179.304 177.584 -0.117 0.000 1.176 417 A CA 0.830 52.853 52.037 -0.023 0.000 0.628 417 A CB -1.260 17.728 19.000 -0.020 0.000 0.816 417 A HN 1.477 nan 8.150 nan 0.000 0.444 418 G N -0.874 107.882 108.800 -0.074 0.000 2.750 418 G HA2 -0.160 3.798 3.960 -0.003 0.000 0.228 418 G HA3 -0.160 3.798 3.960 -0.003 0.000 0.228 418 G C -0.682 174.152 174.900 -0.109 0.000 1.367 418 G CA -0.103 44.951 45.100 -0.078 0.000 0.871 418 G HN 0.639 nan 8.290 nan 0.000 0.560 419 N N 0.461 119.109 118.700 -0.087 0.000 2.405 419 N HA 0.648 5.386 4.740 -0.003 0.000 0.299 419 N C 0.703 176.161 175.510 -0.087 0.000 1.075 419 N CA 0.346 53.348 53.050 -0.080 0.000 0.884 419 N CB 1.563 40.022 38.487 -0.046 0.000 1.194 419 N HN 1.045 nan 8.380 nan 0.000 0.491 420 G N 0.112 108.862 108.800 -0.084 0.000 2.537 420 G HA2 0.066 4.024 3.960 -0.003 0.000 0.297 420 G HA3 0.066 4.024 3.960 -0.003 0.000 0.297 420 G C -0.030 174.850 174.900 -0.033 0.000 1.310 420 G CA -0.479 44.584 45.100 -0.063 0.000 1.027 420 G HN 0.536 nan 8.290 nan 0.000 0.505 421 N N 0.111 118.800 118.700 -0.019 0.000 2.405 421 N HA -0.004 4.734 4.740 -0.003 0.000 0.260 421 N C 1.087 176.594 175.510 -0.006 0.000 1.152 421 N CA -0.193 52.850 53.050 -0.010 0.000 0.948 421 N CB 1.536 40.020 38.487 -0.005 0.000 1.111 421 N HN 0.565 nan 8.380 nan 0.000 0.485 422 E N 4.792 124.988 120.200 -0.006 0.000 2.049 422 E HA -0.183 4.166 4.350 -0.003 0.000 0.198 422 E C 1.549 178.150 176.600 0.001 0.000 1.007 422 E CA 2.097 58.495 56.400 -0.003 0.000 0.809 422 E CB -0.316 29.381 29.700 -0.005 0.000 0.749 422 E HN 0.680 nan 8.360 nan 0.000 0.450 423 A N 0.641 123.462 122.820 0.001 0.000 1.933 423 A HA -0.044 4.274 4.320 -0.003 0.000 0.218 423 A C 2.447 180.035 177.584 0.006 0.000 1.175 423 A CA 2.341 54.380 52.037 0.003 0.000 0.628 423 A CB -1.025 17.976 19.000 0.002 0.000 0.814 423 A HN 0.422 nan 8.150 nan 0.000 0.444 424 A N -0.140 122.684 122.820 0.007 0.000 1.897 424 A HA -0.005 4.313 4.320 -0.003 0.000 0.215 424 A C 2.099 179.693 177.584 0.016 0.000 1.181 424 A CA 1.391 53.435 52.037 0.011 0.000 0.620 424 A CB -0.576 18.430 19.000 0.011 0.000 0.821 424 A HN 0.476 nan 8.150 nan 0.000 0.443 425 I N -0.484 120.095 120.570 0.015 0.000 2.142 425 I HA -0.258 3.911 4.170 -0.003 0.000 0.240 425 I C 2.543 178.672 176.117 0.020 0.000 1.078 425 I CA 1.819 63.130 61.300 0.019 0.000 1.343 425 I CB -0.341 37.668 38.000 0.014 0.000 1.046 425 I HN 0.374 nan 8.210 nan 0.000 0.405 426 E N 1.513 121.722 120.200 0.015 0.000 2.070 426 E HA -0.254 4.094 4.350 -0.003 0.000 0.197 426 E C 2.110 178.720 176.600 0.017 0.000 1.004 426 E CA 1.970 58.379 56.400 0.015 0.000 0.805 426 E CB -0.303 29.403 29.700 0.010 0.000 0.744 426 E HN 0.435 nan 8.360 nan 0.000 0.451 427 A N 0.461 123.291 122.820 0.016 0.000 1.933 427 A HA -0.218 4.100 4.320 -0.003 0.000 0.218 427 A C 2.195 179.792 177.584 0.022 0.000 1.175 427 A CA 1.632 53.679 52.037 0.016 0.000 0.628 427 A CB -0.556 18.452 19.000 0.013 0.000 0.814 427 A HN 0.308 nan 8.150 nan 0.000 0.444 428 Q N -0.858 118.959 119.800 0.028 0.000 2.170 428 Q HA -0.151 4.187 4.340 -0.003 0.000 0.203 428 Q C 2.356 178.381 176.000 0.042 0.000 0.976 428 Q CA 1.540 57.366 55.803 0.040 0.000 0.858 428 Q CB -0.310 28.458 28.738 0.050 0.000 0.907 428 Q HN 0.694 nan 8.270 nan 0.000 0.433 429 A N 0.384 123.225 122.820 0.035 0.000 1.975 429 A HA 0.092 4.410 4.320 -0.003 0.000 0.215 429 A C 2.265 179.867 177.584 0.030 0.000 1.170 429 A CA 1.159 53.217 52.037 0.035 0.000 0.656 429 A CB -0.385 18.634 19.000 0.032 0.000 0.821 429 A HN 0.348 nan 8.150 nan 0.000 0.449 430 A N -0.110 122.725 122.820 0.024 0.000 1.908 430 A HA 0.056 4.374 4.320 -0.003 0.000 0.218 430 A C 2.341 179.936 177.584 0.018 0.000 1.181 430 A CA 1.923 53.971 52.037 0.018 0.000 0.627 430 A CB -1.361 17.648 19.000 0.014 0.000 0.818 430 A HN 0.757 nan 8.150 nan 0.000 0.445 431 G N -1.013 107.799 108.800 0.019 0.000 2.509 431 G HA2 0.016 3.975 3.960 -0.003 0.000 0.218 431 G HA3 0.016 3.975 3.960 -0.003 0.000 0.218 431 G C 1.361 176.273 174.900 0.020 0.000 1.124 431 G CA 1.061 46.171 45.100 0.017 0.000 0.776 431 G HN 0.328 nan 8.290 nan 0.000 0.547 432 V N 0.288 120.219 119.914 0.029 0.000 2.379 432 V HA -0.112 4.006 4.120 -0.003 0.000 0.245 432 V C 2.521 178.631 176.094 0.026 0.000 1.044 432 V CA 2.005 64.326 62.300 0.035 0.000 1.036 432 V CB -0.167 31.685 31.823 0.050 0.000 0.664 432 V HN 0.527 nan 8.190 nan 0.000 0.453 433 E N -0.045 120.168 120.200 0.022 0.000 2.072 433 E HA -0.302 4.046 4.350 -0.003 0.000 0.191 433 E C 2.250 178.854 176.600 0.005 0.000 0.985 433 E CA 1.366 57.774 56.400 0.014 0.000 0.801 433 E CB -0.004 29.704 29.700 0.014 0.000 0.750 433 E HN 0.527 nan 8.360 nan 0.000 0.452 434 Q N 1.026 120.830 119.800 0.006 0.000 2.124 434 Q HA -0.152 4.186 4.340 -0.003 0.000 0.202 434 Q C 2.000 177.999 176.000 -0.002 0.000 0.977 434 Q CA 1.645 57.448 55.803 0.001 0.000 0.850 434 Q CB -0.165 28.574 28.738 0.002 0.000 0.901 434 Q HN 0.136 nan 8.270 nan 0.000 0.429 435 R N -0.922 119.579 120.500 0.003 0.000 2.148 435 R HA -0.071 4.267 4.340 -0.003 0.000 0.223 435 R C 1.961 178.259 176.300 -0.003 0.000 1.088 435 R CA 0.895 56.996 56.100 0.002 0.000 0.985 435 R CB -0.161 30.143 30.300 0.008 0.000 0.880 435 R HN 0.351 nan 8.270 nan 0.000 0.451 436 L N 1.151 122.371 121.223 -0.004 0.000 2.023 436 L HA -0.098 4.240 4.340 -0.003 0.000 0.205 436 L C 1.786 178.638 176.870 -0.030 0.000 1.073 436 L CA 1.813 56.642 54.840 -0.017 0.000 0.745 436 L CB -0.288 41.762 42.059 -0.015 0.000 0.900 436 L HN -0.026 nan 8.230 nan 0.000 0.435 437 K N -0.379 120.007 120.400 -0.024 0.000 2.127 437 K HA -0.242 4.077 4.320 -0.003 0.000 0.208 437 K C 1.764 178.346 176.600 -0.030 0.000 1.047 437 K CA 1.835 58.106 56.287 -0.027 0.000 0.927 437 K CB -0.366 32.122 32.500 -0.019 0.000 0.716 437 K HN 0.394 nan 8.250 nan 0.000 0.450 438 D N 0.730 121.115 120.400 -0.024 0.000 2.117 438 D HA -0.152 4.486 4.640 -0.003 0.000 0.197 438 D C 1.723 178.000 176.300 -0.038 0.000 0.987 438 D CA 0.701 54.686 54.000 -0.025 0.000 0.829 438 D CB -0.130 40.660 40.800 -0.015 0.000 0.961 438 D HN 0.008 nan 8.370 nan 0.000 0.460 439 L N 0.224 121.421 121.223 -0.043 0.000 2.056 439 L HA -0.108 4.231 4.340 -0.003 0.000 0.207 439 L C 2.076 178.894 176.870 -0.088 0.000 1.078 439 L CA 1.246 56.044 54.840 -0.069 0.000 0.749 439 L CB -0.364 41.656 42.059 -0.065 0.000 0.901 439 L HN -0.082 nan 8.230 nan 0.000 0.433 440 V N 0.171 120.039 119.914 -0.076 0.000 2.343 440 V HA -0.244 3.874 4.120 -0.003 0.000 0.247 440 V C 2.221 178.276 176.094 -0.065 0.000 1.051 440 V CA 1.788 64.041 62.300 -0.077 0.000 1.036 440 V CB -1.029 30.753 31.823 -0.069 0.000 0.654 440 V HN 0.498 nan 8.190 nan 0.000 0.451 441 N N -0.175 118.493 118.700 -0.053 0.000 2.381 441 N HA -0.089 4.649 4.740 -0.003 0.000 0.182 441 N C 1.139 176.621 175.510 -0.048 0.000 1.025 441 N CA 0.405 53.429 53.050 -0.044 0.000 0.888 441 N CB -0.333 38.133 38.487 -0.034 0.000 0.965 441 N HN 0.631 nan 8.380 nan 0.000 0.438 442 Q N 1.411 121.175 119.800 -0.061 0.000 2.304 442 Q HA -0.032 4.306 4.340 -0.003 0.000 0.301 442 Q C -0.899 175.061 176.000 -0.066 0.000 1.063 442 Q CA 0.514 56.276 55.803 -0.069 0.000 0.947 442 Q CB 0.384 29.062 28.738 -0.100 0.000 1.201 442 Q HN 0.284 nan 8.270 nan 0.000 0.389 443 D N 1.526 121.894 120.400 -0.055 0.000 2.596 443 D HA 0.531 5.170 4.640 -0.003 0.000 0.234 443 D C 0.083 176.358 176.300 -0.040 0.000 1.181 443 D CA -0.187 53.786 54.000 -0.045 0.000 0.856 443 D CB 1.482 42.262 40.800 -0.033 0.000 1.498 443 D HN 0.656 nan 8.370 nan 0.000 0.446 444 G N -1.252 107.528 108.800 -0.033 0.000 3.288 444 G HA2 0.344 4.302 3.960 -0.003 0.000 0.219 444 G HA3 0.344 4.302 3.960 -0.003 0.000 0.219 444 G C 0.838 175.725 174.900 -0.022 0.000 0.944 444 G CA 0.426 45.510 45.100 -0.026 0.000 0.854 444 G HN 1.516 nan 8.290 nan 0.000 0.632 445 G N 0.111 108.898 108.800 -0.022 0.000 2.314 445 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.292 445 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.292 445 G C -0.157 174.738 174.900 -0.010 0.000 1.059 445 G CA 0.697 45.790 45.100 -0.013 0.000 0.982 445 G HN 0.604 nan 8.290 nan 0.000 0.505 446 E N -0.030 120.162 120.200 -0.014 0.000 2.156 446 E HA 0.237 4.585 4.350 -0.003 0.000 0.279 446 E C 0.027 176.637 176.600 0.016 0.000 0.965 446 E CA -0.931 55.466 56.400 -0.005 0.000 0.789 446 E CB 1.164 30.856 29.700 -0.012 0.000 1.098 446 E HN 0.262 nan 8.360 nan 0.000 0.397 447 N N 3.974 122.683 118.700 0.014 0.000 2.430 447 N HA -0.020 4.718 4.740 -0.003 0.000 0.265 447 N C 1.256 176.782 175.510 0.027 0.000 1.100 447 N CA -0.334 52.732 53.050 0.028 0.000 0.961 447 N CB 0.390 38.856 38.487 -0.036 0.000 1.075 447 N HN 0.605 nan 8.380 nan 0.000 0.478 448 W N 4.489 125.780 121.300 -0.015 0.000 2.321 448 W HA -0.217 4.443 4.660 -0.001 0.000 0.306 448 W C 1.016 177.556 176.519 0.035 0.000 1.217 448 W CA 1.293 58.650 57.345 0.019 0.000 1.257 448 W CB -1.374 28.105 29.460 0.031 0.000 1.145 448 W HN 0.549 nan 8.180 nan 0.000 0.509 449 A N 2.049 124.118 122.820 -1.252 0.000 1.892 449 A HA -0.250 4.069 4.320 -0.003 0.000 0.218 449 A C 2.049 179.309 177.584 -0.540 0.000 1.188 449 A CA 2.551 53.843 52.037 -1.243 0.000 0.631 449 A CB -0.769 17.665 19.000 -0.944 0.000 0.822 449 A HN 0.151 nan 8.150 nan 0.000 0.447 450 K N -0.247 119.965 120.400 -0.314 0.000 2.211 450 K HA 0.054 4.373 4.320 -0.003 0.000 0.203 450 K C 1.700 178.229 176.600 -0.117 0.000 1.050 450 K CA 1.030 57.212 56.287 -0.176 0.000 0.945 450 K CB -0.568 31.866 32.500 -0.110 0.000 0.732 450 K HN 0.671 nan 8.250 nan 0.000 0.451 451 I N 0.340 120.864 120.570 -0.078 0.000 2.406 451 I HA -0.160 4.009 4.170 -0.003 0.000 0.249 451 I C 2.704 178.809 176.117 -0.019 0.000 1.122 451 I CA 0.637 61.938 61.300 0.001 0.000 1.431 451 I CB -0.205 37.863 38.000 0.114 0.000 1.087 451 I HN 0.124 nan 8.210 nan 0.000 0.424 452 R N 1.429 121.891 120.500 -0.064 0.000 2.082 452 R HA -0.230 4.109 4.340 -0.003 0.000 0.234 452 R C 1.875 178.102 176.300 -0.122 0.000 1.136 452 R CA 2.407 58.458 56.100 -0.082 0.000 0.935 452 R CB -0.366 29.816 30.300 -0.196 0.000 0.842 452 R HN 0.258 nan 8.270 nan 0.000 0.430 453 D N 0.350 120.647 120.400 -0.173 0.000 2.158 453 D HA -0.183 4.456 4.640 -0.003 0.000 0.197 453 D C 1.808 178.040 176.300 -0.113 0.000 0.995 453 D CA 1.503 55.410 54.000 -0.154 0.000 0.846 453 D CB -0.173 40.532 40.800 -0.157 0.000 0.941 453 D HN 0.501 nan 8.370 nan 0.000 0.456 454 E N -0.200 119.946 120.200 -0.090 0.000 2.112 454 E HA -0.067 4.281 4.350 -0.003 0.000 0.190 454 E C 2.093 178.651 176.600 -0.070 0.000 0.979 454 E CA 0.175 56.535 56.400 -0.067 0.000 0.814 454 E CB -0.055 29.616 29.700 -0.048 0.000 0.762 454 E HN 0.248 nan 8.360 nan 0.000 0.460 455 M N 0.566 120.122 119.600 -0.073 0.000 2.086 455 M HA -0.122 4.356 4.480 -0.003 0.000 0.261 455 M C 2.204 178.427 176.300 -0.128 0.000 1.067 455 M CA 2.180 57.425 55.300 -0.091 0.000 1.116 455 M CB -0.342 32.211 32.600 -0.078 0.000 1.348 455 M HN 0.137 nan 8.290 nan 0.000 0.407 456 G N 0.816 109.542 108.800 -0.124 0.000 2.446 456 G HA2 -0.225 3.734 3.960 -0.003 0.000 0.217 456 G HA3 -0.225 3.734 3.960 -0.003 0.000 0.217 456 G C 1.431 176.261 174.900 -0.117 0.000 1.168 456 G CA 1.088 46.105 45.100 -0.138 0.000 0.771 456 G HN 0.486 nan 8.290 nan 0.000 0.551 457 L N 0.652 121.820 121.223 -0.092 0.000 2.083 457 L HA -0.076 4.262 4.340 -0.003 0.000 0.209 457 L C 3.398 180.245 176.870 -0.039 0.000 1.083 457 L CA 1.103 55.916 54.840 -0.045 0.000 0.752 457 L CB -0.313 41.724 42.059 -0.037 0.000 0.899 457 L HN 0.317 nan 8.230 nan 0.000 0.433 458 A N -0.678 122.098 122.820 -0.073 0.000 1.898 458 A HA -0.186 4.132 4.320 -0.003 0.000 0.216 458 A C 2.279 179.793 177.584 -0.116 0.000 1.181 458 A CA 1.421 53.411 52.037 -0.078 0.000 0.620 458 A CB -0.312 18.636 19.000 -0.086 0.000 0.819 458 A HN 0.261 nan 8.150 nan 0.000 0.442 459 M N -0.872 118.598 119.600 -0.216 0.000 2.175 459 M HA -0.070 4.408 4.480 -0.003 0.000 0.264 459 M C 1.953 178.117 176.300 -0.227 0.000 1.063 459 M CA 1.574 56.627 55.300 -0.412 0.000 1.119 459 M CB -1.229 30.851 32.600 -0.866 0.000 1.377 459 M HN 0.489 nan 8.290 nan 0.000 0.415 460 E N 0.778 120.957 120.200 -0.035 0.000 2.051 460 E HA -0.186 4.162 4.350 -0.003 0.000 0.192 460 E C 1.914 178.614 176.600 0.167 0.000 0.991 460 E CA 1.584 58.116 56.400 0.219 0.000 0.799 460 E CB -0.082 29.751 29.700 0.222 0.000 0.748 460 E HN 0.549 nan 8.360 nan 0.000 0.449 461 E N -1.538 118.708 120.200 0.078 0.000 2.170 461 E HA -0.023 4.326 4.350 -0.003 0.000 0.191 461 E C 1.840 178.464 176.600 0.039 0.000 0.981 461 E CA 0.736 57.172 56.400 0.060 0.000 0.830 461 E CB -0.092 29.634 29.700 0.042 0.000 0.775 461 E HN 0.331 nan 8.360 nan 0.000 0.470 462 G N -0.201 108.606 108.800 0.011 0.000 2.426 462 G HA2 -0.133 3.825 3.960 -0.003 0.000 0.214 462 G HA3 -0.133 3.825 3.960 -0.003 0.000 0.214 462 G C 0.947 175.855 174.900 0.013 0.000 1.156 462 G CA 0.523 45.618 45.100 -0.008 0.000 0.802 462 G HN 0.306 nan 8.290 nan 0.000 0.534 463 C N 1.711 121.051 119.300 0.066 0.000 2.975 463 C HA 0.604 5.062 4.460 -0.003 0.000 0.234 463 C C 1.533 176.682 174.990 0.266 0.000 1.666 463 C CA -1.127 57.977 59.018 0.144 0.000 1.534 463 C CB -0.516 27.330 27.740 0.177 0.000 2.642 463 C HN 0.442 nan 8.230 nan 0.000 0.516 464 G N 0.687 109.548 108.800 0.102 0.000 2.468 464 G HA2 0.347 4.306 3.960 -0.003 0.000 0.264 464 G HA3 0.347 4.306 3.960 -0.003 0.000 0.264 464 G C 0.996 175.694 174.900 -0.338 0.000 1.460 464 G CA -0.272 44.786 45.100 -0.070 0.000 1.060 464 G HN 0.383 nan 8.290 nan 0.000 0.543 465 I N -1.273 118.897 120.570 -0.667 0.000 2.202 465 I HA -0.005 4.163 4.170 -0.003 0.000 0.242 465 I C 0.428 176.096 176.117 -0.748 0.000 1.091 465 I CA 0.907 61.769 61.300 -0.730 0.000 1.368 465 I CB -0.251 37.273 38.000 -0.793 0.000 1.058 465 I HN 0.156 nan 8.210 nan 0.000 0.410 466 Y N 0.887 120.772 120.300 -0.691 0.000 2.360 466 Y HA 0.550 5.099 4.550 -0.003 0.000 0.337 466 Y C 0.084 175.713 175.900 -0.451 0.000 1.039 466 Y CA -0.732 56.967 58.100 -0.669 0.000 1.109 466 Y CB 1.168 38.951 38.460 -1.128 0.000 1.201 466 Y HN -0.103 nan 8.280 nan 0.000 0.458 467 R N 1.178 121.588 120.500 -0.151 0.000 2.628 467 R HA 0.530 4.868 4.340 -0.003 0.000 0.288 467 R C -1.101 175.149 176.300 -0.083 0.000 0.980 467 R CA -0.883 55.145 56.100 -0.121 0.000 0.891 467 R CB 2.079 32.291 30.300 -0.148 0.000 1.188 467 R HN 0.713 nan 8.270 nan 0.000 0.450 468 T N -1.510 113.018 114.554 -0.044 0.000 2.887 468 T HA 0.384 4.733 4.350 -0.003 0.000 0.288 468 T C -1.971 172.722 174.700 -0.011 0.000 1.021 468 T CA -2.126 59.960 62.100 -0.022 0.000 1.000 468 T CB 2.171 71.038 68.868 -0.001 0.000 1.034 468 T HN 0.233 nan 8.240 nan 0.000 0.467 469 P HA -0.133 nan 4.420 nan 0.000 0.218 469 P C 1.225 178.527 177.300 0.004 0.000 1.148 469 P CA 1.061 64.164 63.100 0.004 0.000 0.822 469 P CB 0.303 32.011 31.700 0.012 0.000 0.784 470 E N 0.022 120.226 120.200 0.007 0.000 2.051 470 E HA -0.147 4.202 4.350 -0.003 0.000 0.192 470 E C 2.075 178.678 176.600 0.004 0.000 0.991 470 E CA 0.959 57.364 56.400 0.009 0.000 0.799 470 E CB -0.420 29.289 29.700 0.015 0.000 0.748 470 E HN 0.182 nan 8.360 nan 0.000 0.449 471 L N -0.028 121.198 121.223 0.005 0.000 2.270 471 L HA -0.026 4.312 4.340 -0.003 0.000 0.210 471 L C 2.561 179.423 176.870 -0.014 0.000 1.104 471 L CA 0.352 55.193 54.840 0.003 0.000 0.804 471 L CB -0.087 41.980 42.059 0.015 0.000 0.937 471 L HN 0.257 nan 8.230 nan 0.000 0.450 472 M N -0.990 118.598 119.600 -0.019 0.000 2.156 472 M HA -0.208 4.271 4.480 -0.003 0.000 0.264 472 M C 2.297 178.564 176.300 -0.056 0.000 1.067 472 M CA 1.511 56.789 55.300 -0.037 0.000 1.131 472 M CB -0.173 32.411 32.600 -0.026 0.000 1.368 472 M HN 0.162 nan 8.290 nan 0.000 0.416 473 Q N 1.032 120.810 119.800 -0.038 0.000 2.079 473 Q HA -0.160 4.178 4.340 -0.003 0.000 0.200 473 Q C 1.858 177.834 176.000 -0.041 0.000 0.974 473 Q CA 1.733 57.513 55.803 -0.040 0.000 0.840 473 Q CB -0.176 28.553 28.738 -0.013 0.000 0.898 473 Q HN 0.296 nan 8.270 nan 0.000 0.430 474 K N -1.021 119.363 120.400 -0.027 0.000 2.074 474 K HA -0.167 4.152 4.320 -0.003 0.000 0.209 474 K C 1.748 178.325 176.600 -0.039 0.000 1.048 474 K CA 1.798 58.071 56.287 -0.023 0.000 0.926 474 K CB -0.139 32.355 32.500 -0.011 0.000 0.713 474 K HN 0.307 nan 8.250 nan 0.000 0.444 475 T N 1.556 116.077 114.554 -0.055 0.000 2.701 475 T HA -0.087 4.261 4.350 -0.003 0.000 0.263 475 T C 1.913 176.553 174.700 -0.100 0.000 1.040 475 T CA 1.405 63.460 62.100 -0.076 0.000 1.147 475 T CB -0.212 68.604 68.868 -0.088 0.000 0.865 475 T HN 0.171 nan 8.240 nan 0.000 0.426 476 I N 1.671 122.159 120.570 -0.136 0.000 2.113 476 I HA -0.292 3.876 4.170 -0.003 0.000 0.242 476 I C 2.384 178.440 176.117 -0.101 0.000 1.057 476 I CA 1.508 62.693 61.300 -0.192 0.000 1.314 476 I CB -0.456 37.375 38.000 -0.281 0.000 1.022 476 I HN 0.196 nan 8.210 nan 0.000 0.408 477 D N 0.523 120.885 120.400 -0.062 0.000 2.104 477 D HA -0.219 4.419 4.640 -0.003 0.000 0.194 477 D C 2.052 178.336 176.300 -0.026 0.000 0.994 477 D CA 1.319 55.302 54.000 -0.029 0.000 0.830 477 D CB -0.238 40.551 40.800 -0.018 0.000 0.959 477 D HN 0.166 nan 8.370 nan 0.000 0.452 478 K N 0.887 121.265 120.400 -0.036 0.000 2.009 478 K HA -0.070 4.248 4.320 -0.003 0.000 0.210 478 K C 2.261 178.842 176.600 -0.032 0.000 1.049 478 K CA 0.861 57.129 56.287 -0.031 0.000 0.929 478 K CB -0.659 31.818 32.500 -0.039 0.000 0.714 478 K HN 0.084 nan 8.250 nan 0.000 0.440 479 L N 0.066 121.260 121.223 -0.049 0.000 2.043 479 L HA -0.232 4.107 4.340 -0.003 0.000 0.212 479 L C 2.462 179.318 176.870 -0.023 0.000 1.075 479 L CA 1.489 56.300 54.840 -0.048 0.000 0.752 479 L CB -0.646 41.370 42.059 -0.072 0.000 0.891 479 L HN 0.339 nan 8.230 nan 0.000 0.432 480 A N -0.629 122.183 122.820 -0.013 0.000 1.933 480 A HA -0.248 4.070 4.320 -0.003 0.000 0.218 480 A C 2.297 179.889 177.584 0.013 0.000 1.175 480 A CA 1.766 53.809 52.037 0.009 0.000 0.628 480 A CB -0.477 18.536 19.000 0.021 0.000 0.814 480 A HN 0.485 nan 8.150 nan 0.000 0.444 481 E N -0.015 120.190 120.200 0.008 0.000 2.051 481 E HA -0.161 4.187 4.350 -0.003 0.000 0.192 481 E C 1.941 178.556 176.600 0.025 0.000 0.991 481 E CA 1.150 57.558 56.400 0.014 0.000 0.799 481 E CB -0.203 29.501 29.700 0.007 0.000 0.748 481 E HN 0.641 nan 8.360 nan 0.000 0.449 482 L N 0.789 122.025 121.223 0.021 0.000 2.083 482 L HA -0.210 4.128 4.340 -0.003 0.000 0.209 482 L C 2.841 179.755 176.870 0.073 0.000 1.083 482 L CA 0.844 55.709 54.840 0.042 0.000 0.752 482 L CB -0.474 41.597 42.059 0.021 0.000 0.899 482 L HN 0.181 nan 8.230 nan 0.000 0.433 483 Q N 0.005 119.828 119.800 0.038 0.000 2.061 483 Q HA -0.273 4.065 4.340 -0.003 0.000 0.204 483 Q C 2.146 178.202 176.000 0.093 0.000 0.984 483 Q CA 1.798 57.625 55.803 0.040 0.000 0.846 483 Q CB -0.171 28.571 28.738 0.008 0.000 0.902 483 Q HN 0.405 nan 8.270 nan 0.000 0.421 484 E N 0.516 120.757 120.200 0.068 0.000 2.150 484 E HA -0.100 4.249 4.350 -0.003 0.000 0.193 484 E C 1.876 178.522 176.600 0.078 0.000 0.985 484 E CA 0.916 57.354 56.400 0.065 0.000 0.814 484 E CB 0.034 29.757 29.700 0.039 0.000 0.752 484 E HN 0.130 nan 8.360 nan 0.000 0.466 485 R N -0.907 119.645 120.500 0.086 0.000 2.115 485 R HA -0.083 4.256 4.340 -0.003 0.000 0.230 485 R C 2.072 178.439 176.300 0.111 0.000 1.111 485 R CA 1.003 57.151 56.100 0.079 0.000 0.976 485 R CB -0.452 29.889 30.300 0.069 0.000 0.870 485 R HN 0.277 nan 8.270 nan 0.000 0.445 486 F N 2.067 122.022 119.950 0.008 0.000 2.250 486 F HA -0.178 4.347 4.527 -0.004 0.000 0.301 486 F C 1.506 177.309 175.800 0.006 0.000 1.077 486 F CA 1.521 59.529 58.000 0.014 0.000 1.348 486 F CB 0.124 39.128 39.000 0.006 0.000 1.040 486 F HN -0.155 nan 8.300 nan 0.000 0.509 487 K N -0.402 120.044 120.400 0.076 0.000 2.525 487 K HA 0.014 4.332 4.320 -0.003 0.000 0.192 487 K C 1.145 177.711 176.600 -0.057 0.000 1.029 487 K CA 0.404 56.690 56.287 -0.001 0.000 1.029 487 K CB 0.075 32.603 32.500 0.048 0.000 0.814 487 K HN 0.158 nan 8.250 nan 0.000 0.503 488 R N 0.264 120.725 120.500 -0.064 0.000 2.577 488 R HA 0.160 4.498 4.340 -0.003 0.000 0.344 488 R C -0.737 175.513 176.300 -0.083 0.000 1.037 488 R CA -0.178 55.887 56.100 -0.058 0.000 1.102 488 R CB 1.005 31.291 30.300 -0.024 0.000 1.313 488 R HN -0.114 nan 8.270 nan 0.000 0.561 489 V N 1.312 121.131 119.914 -0.157 0.000 2.607 489 V HA 0.273 4.391 4.120 -0.003 0.000 0.289 489 V C 0.231 176.244 176.094 -0.137 0.000 1.053 489 V CA -0.449 61.757 62.300 -0.157 0.000 0.996 489 V CB 1.421 33.070 31.823 -0.289 0.000 0.995 489 V HN 0.184 nan 8.190 nan 0.000 0.476 490 R N 4.457 124.910 120.500 -0.078 0.000 2.393 490 R HA 0.518 4.856 4.340 -0.003 0.000 0.315 490 R C -0.894 175.373 176.300 -0.054 0.000 0.952 490 R CA -0.698 55.361 56.100 -0.069 0.000 0.842 490 R CB 0.941 31.214 30.300 -0.044 0.000 1.163 490 R HN 0.719 nan 8.270 nan 0.000 0.450 491 I N 5.445 125.964 120.570 -0.085 0.000 2.389 491 I HA -0.012 4.157 4.170 -0.003 0.000 0.295 491 I C 1.689 177.770 176.117 -0.060 0.000 1.117 491 I CA -0.043 61.205 61.300 -0.087 0.000 1.317 491 I CB 1.268 39.185 38.000 -0.138 0.000 1.431 491 I HN 0.796 nan 8.210 nan 0.000 0.521 492 T N 0.402 114.938 114.554 -0.029 0.000 2.995 492 T HA -0.114 4.234 4.350 -0.003 0.000 0.269 492 T C 0.804 175.488 174.700 -0.026 0.000 1.091 492 T CA 0.258 62.346 62.100 -0.019 0.000 1.128 492 T CB -0.052 68.818 68.868 0.003 0.000 0.891 492 T HN 0.532 nan 8.240 nan 0.000 0.492 493 D N 2.458 122.835 120.400 -0.039 0.000 2.317 493 D HA 0.086 4.724 4.640 -0.003 0.000 0.252 493 D C 0.828 177.090 176.300 -0.063 0.000 1.174 493 D CA 0.205 54.177 54.000 -0.046 0.000 0.866 493 D CB 1.532 42.298 40.800 -0.056 0.000 1.127 493 D HN 0.418 nan 8.370 nan 0.000 0.467 494 T N -0.434 114.091 114.554 -0.049 0.000 3.092 494 T HA 0.098 4.446 4.350 -0.003 0.000 0.258 494 T C 0.850 175.521 174.700 -0.049 0.000 1.031 494 T CA -0.508 61.560 62.100 -0.052 0.000 0.925 494 T CB -0.136 68.708 68.868 -0.040 0.000 1.036 494 T HN 0.281 nan 8.240 nan 0.000 0.544 495 S N 0.757 116.429 115.700 -0.046 0.000 2.576 495 S HA 0.336 4.805 4.470 -0.003 0.000 0.276 495 S C 1.064 175.636 174.600 -0.047 0.000 1.339 495 S CA -0.562 57.617 58.200 -0.035 0.000 1.039 495 S CB 1.436 64.623 63.200 -0.022 0.000 0.902 495 S HN 0.162 nan 8.310 nan 0.000 0.516 496 S N 1.148 116.828 115.700 -0.033 0.000 2.406 496 S HA 0.078 4.547 4.470 -0.003 0.000 0.224 496 S C 0.559 175.141 174.600 -0.030 0.000 1.030 496 S CA 0.067 58.243 58.200 -0.039 0.000 0.958 496 S CB -0.096 63.089 63.200 -0.025 0.000 0.811 496 S HN 0.655 nan 8.310 nan 0.000 0.489 497 V N 3.306 123.222 119.914 0.003 0.000 2.405 497 V HA 0.233 4.351 4.120 -0.003 0.000 0.264 497 V C 0.037 176.201 176.094 0.116 0.000 1.048 497 V CA -0.260 62.070 62.300 0.050 0.000 0.966 497 V CB -0.901 30.955 31.823 0.054 0.000 1.015 497 V HN 0.539 nan 8.190 nan 0.000 0.477 498 F N 4.363 124.266 119.950 -0.077 0.000 2.866 498 F HA -0.230 4.296 4.527 -0.002 0.000 0.254 498 F C 0.687 176.407 175.800 -0.133 0.000 1.009 498 F CA 0.450 58.393 58.000 -0.095 0.000 0.907 498 F CB -0.416 38.548 39.000 -0.058 0.000 0.859 498 F HN 0.719 nan 8.300 nan 0.000 0.842 499 N N 1.366 119.946 118.700 -0.202 0.000 2.555 499 N HA 0.148 4.886 4.740 -0.003 0.000 0.244 499 N C 1.172 176.425 175.510 -0.429 0.000 1.114 499 N CA 0.502 53.412 53.050 -0.234 0.000 0.963 499 N CB 0.670 39.038 38.487 -0.198 0.000 1.276 499 N HN 0.377 nan 8.380 nan 0.000 0.510 500 T N -0.505 113.766 114.554 -0.472 0.000 3.055 500 T HA -0.066 4.282 4.350 -0.003 0.000 0.265 500 T C 1.308 175.446 174.700 -0.936 0.000 1.111 500 T CA 0.443 62.029 62.100 -0.857 0.000 1.118 500 T CB 0.017 68.341 68.868 -0.908 0.000 0.909 500 T HN 0.261 nan 8.240 nan 0.000 0.501 501 D N 1.406 121.496 120.400 -0.516 0.000 2.092 501 D HA -0.099 4.539 4.640 -0.003 0.000 0.193 501 D C 1.896 177.891 176.300 -0.508 0.000 0.994 501 D CA 0.952 54.702 54.000 -0.417 0.000 0.828 501 D CB -0.469 40.204 40.800 -0.211 0.000 0.963 501 D HN 0.323 nan 8.370 nan 0.000 0.450 502 L N 0.142 121.109 121.223 -0.426 0.000 2.017 502 L HA -0.092 4.246 4.340 -0.003 0.000 0.208 502 L C 2.209 178.790 176.870 -0.481 0.000 1.073 502 L CA 1.503 56.108 54.840 -0.391 0.000 0.745 502 L CB -0.604 41.263 42.059 -0.320 0.000 0.894 502 L HN 0.144 nan 8.230 nan 0.000 0.432 503 L N -1.580 119.268 121.223 -0.625 0.000 1.976 503 L HA -0.274 4.064 4.340 -0.003 0.000 0.209 503 L C 2.561 179.144 176.870 -0.479 0.000 1.071 503 L CA 1.953 56.352 54.840 -0.734 0.000 0.746 503 L CB -0.991 40.569 42.059 -0.832 0.000 0.890 503 L HN 0.288 nan 8.230 nan 0.000 0.432 504 Y N -0.171 119.808 120.300 -0.535 0.000 2.193 504 Y HA -0.291 4.257 4.550 -0.003 0.000 0.285 504 Y C 2.856 178.368 175.900 -0.647 0.000 1.166 504 Y CA 1.032 58.756 58.100 -0.626 0.000 1.181 504 Y CB -0.762 37.085 38.460 -1.022 0.000 0.976 504 Y HN 0.238 nan 8.280 nan 0.000 0.520 505 T N 0.649 114.874 114.554 -0.549 0.000 2.746 505 T HA -0.178 4.170 4.350 -0.003 0.000 0.267 505 T C 1.791 176.529 174.700 0.063 0.000 1.039 505 T CA 1.501 63.458 62.100 -0.238 0.000 1.142 505 T CB -0.414 68.276 68.868 -0.295 0.000 0.866 505 T HN 0.284 nan 8.240 nan 0.000 0.444 506 I N 0.936 121.468 120.570 -0.062 0.000 2.252 506 I HA -0.141 4.028 4.170 -0.003 0.000 0.245 506 I C 2.629 178.776 176.117 0.050 0.000 1.102 506 I CA 1.319 62.617 61.300 -0.003 0.000 1.385 506 I CB -0.397 37.549 38.000 -0.089 0.000 1.064 506 I HN 0.297 nan 8.210 nan 0.000 0.414 507 E N 0.548 120.818 120.200 0.117 0.000 2.110 507 E HA -0.257 4.091 4.350 -0.003 0.000 0.193 507 E C 2.107 178.795 176.600 0.148 0.000 0.988 507 E CA 1.099 57.642 56.400 0.238 0.000 0.804 507 E CB -0.157 29.684 29.700 0.235 0.000 0.745 507 E HN 0.303 nan 8.360 nan 0.000 0.458 508 L N 0.721 122.025 121.223 0.135 0.000 2.141 508 L HA -0.034 4.305 4.340 -0.003 0.000 0.209 508 L C 1.996 178.777 176.870 -0.149 0.000 1.094 508 L CA 1.892 56.810 54.840 0.130 0.000 0.763 508 L CB -0.774 41.514 42.059 0.383 0.000 0.908 508 L HN 0.061 nan 8.230 nan 0.000 0.437 509 G N -1.104 107.513 108.800 -0.304 0.000 2.587 509 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.217 509 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.217 509 G C 1.473 176.135 174.900 -0.396 0.000 1.240 509 G CA 1.042 45.743 45.100 -0.665 0.000 0.794 509 G HN 0.560 nan 8.290 nan 0.000 0.580 510 H N 0.941 119.942 119.070 -0.115 0.000 2.390 510 H HA -0.106 4.448 4.556 -0.004 0.000 0.298 510 H C 2.861 178.136 175.328 -0.087 0.000 1.106 510 H CA 1.289 57.291 56.048 -0.078 0.000 1.297 510 H CB -0.897 28.851 29.762 -0.024 0.000 1.375 510 H HN 0.383 nan 8.280 nan 0.000 0.509 511 G N 1.127 109.948 108.800 0.035 0.000 2.480 511 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.216 511 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.216 511 G C 2.000 176.859 174.900 -0.068 0.000 1.200 511 G CA 0.800 45.893 45.100 -0.012 0.000 0.782 511 G HN 0.286 nan 8.290 nan 0.000 0.554 512 L N 0.421 121.566 121.223 -0.130 0.000 2.013 512 L HA -0.165 4.174 4.340 -0.003 0.000 0.212 512 L C 2.883 179.685 176.870 -0.114 0.000 1.073 512 L CA 1.218 55.969 54.840 -0.147 0.000 0.753 512 L CB -0.487 41.429 42.059 -0.239 0.000 0.890 512 L HN 0.173 nan 8.230 nan 0.000 0.432 513 N N -0.322 118.308 118.700 -0.117 0.000 2.036 513 N HA -0.179 4.559 4.740 -0.003 0.000 0.195 513 N C 1.824 177.309 175.510 -0.041 0.000 1.037 513 N CA 1.442 54.451 53.050 -0.069 0.000 0.855 513 N CB -0.632 37.824 38.487 -0.051 0.000 1.033 513 N HN 0.110 nan 8.380 nan 0.000 0.423 514 V N 1.593 121.485 119.914 -0.037 0.000 2.358 514 V HA -0.176 3.942 4.120 -0.003 0.000 0.246 514 V C 2.388 178.456 176.094 -0.044 0.000 1.047 514 V CA 1.711 63.989 62.300 -0.036 0.000 1.035 514 V CB -0.961 30.843 31.823 -0.033 0.000 0.658 514 V HN 0.319 nan 8.190 nan 0.000 0.452 515 A N -0.586 122.197 122.820 -0.062 0.000 1.940 515 A HA -0.278 4.041 4.320 -0.003 0.000 0.219 515 A C 2.159 179.699 177.584 -0.074 0.000 1.176 515 A CA 2.017 54.002 52.037 -0.088 0.000 0.631 515 A CB -0.480 18.447 19.000 -0.123 0.000 0.814 515 A HN 0.639 nan 8.150 nan 0.000 0.446 516 E N -1.035 119.138 120.200 -0.045 0.000 2.150 516 E HA -0.166 4.183 4.350 -0.003 0.000 0.193 516 E C 2.024 178.666 176.600 0.070 0.000 0.985 516 E CA 1.098 57.501 56.400 0.004 0.000 0.814 516 E CB -0.316 29.414 29.700 0.051 0.000 0.752 516 E HN 0.698 nan 8.360 nan 0.000 0.466 517 C N 0.455 119.772 119.300 0.028 0.000 2.446 517 C HA -0.086 4.372 4.460 -0.003 0.000 0.277 517 C C 2.661 177.650 174.990 -0.002 0.000 1.275 517 C CA 0.554 59.584 59.018 0.019 0.000 1.727 517 C CB -0.649 27.074 27.740 -0.028 0.000 2.010 517 C HN 0.453 nan 8.230 nan 0.000 0.486 518 M N 0.918 120.502 119.600 -0.026 0.000 2.086 518 M HA -0.141 4.337 4.480 -0.003 0.000 0.261 518 M C 2.511 178.782 176.300 -0.048 0.000 1.067 518 M CA 2.153 57.431 55.300 -0.037 0.000 1.116 518 M CB -0.555 32.033 32.600 -0.020 0.000 1.348 518 M HN 0.434 nan 8.290 nan 0.000 0.407 519 A N -0.553 122.225 122.820 -0.070 0.000 1.898 519 A HA -0.169 4.149 4.320 -0.003 0.000 0.216 519 A C 1.923 179.427 177.584 -0.134 0.000 1.181 519 A CA 1.416 53.378 52.037 -0.124 0.000 0.620 519 A CB -0.986 17.895 19.000 -0.198 0.000 0.819 519 A HN 0.456 nan 8.150 nan 0.000 0.442 520 H N -0.159 118.889 119.070 -0.037 0.000 2.363 520 H HA -0.032 4.522 4.556 -0.003 0.000 0.301 520 H C 2.609 177.918 175.328 -0.032 0.000 1.074 520 H CA 1.587 57.621 56.048 -0.024 0.000 1.354 520 H CB -0.258 29.492 29.762 -0.020 0.000 1.397 520 H HN 0.475 nan 8.280 nan 0.000 0.516 521 S N 0.744 116.478 115.700 0.058 0.000 2.353 521 S HA -0.183 4.285 4.470 -0.003 0.000 0.222 521 S C 2.490 177.028 174.600 -0.104 0.000 1.035 521 S CA 1.120 59.302 58.200 -0.030 0.000 1.025 521 S CB -0.419 62.727 63.200 -0.090 0.000 0.902 521 S HN 0.547 nan 8.310 nan 0.000 0.440 522 A N 1.231 123.975 122.820 -0.126 0.000 1.917 522 A HA -0.184 4.135 4.320 -0.003 0.000 0.219 522 A C 2.149 179.731 177.584 -0.004 0.000 1.182 522 A CA 2.131 54.096 52.037 -0.119 0.000 0.633 522 A CB -0.663 18.335 19.000 -0.003 0.000 0.819 522 A HN 0.470 nan 8.150 nan 0.000 0.448 523 M N 0.010 119.614 119.600 0.006 0.000 2.117 523 M HA -0.002 4.477 4.480 -0.003 0.000 0.262 523 M C 2.067 178.397 176.300 0.050 0.000 1.065 523 M CA 1.840 57.159 55.300 0.032 0.000 1.114 523 M CB -0.440 32.174 32.600 0.023 0.000 1.361 523 M HN 0.354 nan 8.290 nan 0.000 0.408 524 A N -0.459 122.402 122.820 0.068 0.000 2.014 524 A HA -0.033 4.285 4.320 -0.003 0.000 0.218 524 A C 1.616 179.266 177.584 0.111 0.000 1.163 524 A CA 0.530 52.649 52.037 0.136 0.000 0.652 524 A CB -0.578 18.547 19.000 0.207 0.000 0.808 524 A HN 0.500 nan 8.150 nan 0.000 0.449 525 R N 1.092 121.549 120.500 -0.072 0.000 2.325 525 R HA 0.177 4.515 4.340 -0.003 0.000 0.323 525 R C -0.715 175.301 176.300 -0.474 0.000 1.177 525 R CA -0.062 55.803 56.100 -0.392 0.000 1.018 525 R CB -0.108 29.866 30.300 -0.542 0.000 1.070 525 R HN 0.177 nan 8.270 nan 0.000 0.495 526 K N 4.392 124.367 120.400 -0.708 0.000 3.001 526 K HA 0.028 4.346 4.320 -0.003 0.000 0.257 526 K C -0.652 175.696 176.600 -0.419 0.000 1.290 526 K CA -0.040 56.059 56.287 -0.314 0.000 1.252 526 K CB 0.150 32.690 32.500 0.066 0.000 1.656 526 K HN 0.669 nan 8.250 nan 0.000 0.351 527 E N -1.942 117.998 120.200 -0.433 0.000 2.454 527 E HA 0.373 4.721 4.350 -0.003 0.000 0.279 527 E C -1.235 175.368 176.600 0.005 0.000 1.029 527 E CA -1.069 55.222 56.400 -0.180 0.000 0.831 527 E CB 1.230 30.809 29.700 -0.202 0.000 1.405 527 E HN -0.157 nan 8.360 nan 0.000 0.463 528 S N 0.094 115.820 115.700 0.044 0.000 2.449 528 S HA 0.605 5.073 4.470 -0.003 0.000 0.310 528 S C -0.917 173.768 174.600 0.143 0.000 1.096 528 S CA -0.745 57.499 58.200 0.074 0.000 1.095 528 S CB 0.899 64.102 63.200 0.004 0.000 1.007 528 S HN 0.448 nan 8.310 nan 0.000 0.474 529 R N 1.710 122.360 120.500 0.249 0.000 2.522 529 R HA 0.516 4.854 4.340 -0.003 0.000 0.283 529 R C 0.714 177.171 176.300 0.262 0.000 1.074 529 R CA 0.276 56.515 56.100 0.232 0.000 0.925 529 R CB 1.007 31.462 30.300 0.258 0.000 1.205 529 R HN 0.906 nan 8.270 nan 0.000 0.436 530 G N 2.443 111.318 108.800 0.126 0.000 2.672 530 G HA2 -0.482 3.477 3.960 -0.003 0.000 0.324 530 G HA3 -0.482 3.477 3.960 -0.003 0.000 0.324 530 G C 0.883 175.862 174.900 0.130 0.000 1.286 530 G CA 0.871 46.022 45.100 0.085 0.000 1.004 530 G HN 0.850 nan 8.290 nan 0.000 0.548 531 A N -0.507 122.437 122.820 0.207 0.000 2.019 531 A HA 0.137 4.455 4.320 -0.003 0.000 0.219 531 A C 1.370 179.052 177.584 0.162 0.000 1.164 531 A CA 2.265 54.414 52.037 0.186 0.000 0.644 531 A CB -0.483 18.673 19.000 0.261 0.000 0.805 531 A HN 1.620 nan 8.150 nan 0.000 0.449 532 H N 0.788 119.968 119.070 0.184 0.000 2.782 532 H HA 0.443 4.998 4.556 -0.002 0.000 0.285 532 H C -0.672 174.641 175.328 -0.025 0.000 1.093 532 H CA -0.213 55.841 56.048 0.009 0.000 1.410 532 H CB 0.200 29.880 29.762 -0.137 0.000 1.439 532 H HN 0.166 nan 8.280 nan 0.000 0.469 533 Q N 5.006 124.513 119.800 -0.489 0.000 2.310 533 Q HA 0.382 4.720 4.340 -0.003 0.000 0.270 533 Q C -0.438 175.350 176.000 -0.354 0.000 1.025 533 Q CA -0.653 54.927 55.803 -0.371 0.000 0.772 533 Q CB 2.256 30.780 28.738 -0.357 0.000 1.253 533 Q HN 0.770 nan 8.270 nan 0.000 0.450 534 R N 1.778 122.124 120.500 -0.256 0.000 2.732 534 R HA 0.530 4.868 4.340 -0.003 0.000 0.278 534 R C 0.923 177.194 176.300 -0.047 0.000 0.976 534 R CA -0.456 55.547 56.100 -0.162 0.000 0.963 534 R CB 1.377 31.584 30.300 -0.155 0.000 1.150 534 R HN 0.476 nan 8.270 nan 0.000 0.478 535 L N 0.546 121.740 121.223 -0.050 0.000 2.575 535 L HA 0.085 4.423 4.340 -0.003 0.000 0.228 535 L C 0.314 177.167 176.870 -0.028 0.000 1.075 535 L CA -0.105 54.704 54.840 -0.052 0.000 0.867 535 L CB -0.063 41.938 42.059 -0.096 0.000 1.097 535 L HN 0.676 nan 8.230 nan 0.000 0.485 536 D N 1.253 121.641 120.400 -0.020 0.000 2.400 536 D HA -0.092 4.546 4.640 -0.003 0.000 0.238 536 D C 0.123 176.427 176.300 0.006 0.000 1.157 536 D CA -0.164 53.834 54.000 -0.003 0.000 0.889 536 D CB 0.798 41.599 40.800 0.002 0.000 1.199 536 D HN 0.051 nan 8.370 nan 0.000 0.436 537 E N -0.287 119.921 120.200 0.013 0.000 2.465 537 E HA 0.202 4.551 4.350 -0.003 0.000 0.260 537 E C 1.040 177.657 176.600 0.027 0.000 0.980 537 E CA 0.740 57.151 56.400 0.019 0.000 0.927 537 E CB -0.067 29.645 29.700 0.019 0.000 0.934 537 E HN 0.730 nan 8.360 nan 0.000 0.459 538 G N 3.058 111.877 108.800 0.032 0.000 2.179 538 G HA2 -0.301 3.658 3.960 -0.003 0.000 0.260 538 G HA3 -0.301 3.658 3.960 -0.003 0.000 0.260 538 G C 0.593 175.523 174.900 0.050 0.000 0.977 538 G CA 0.232 45.358 45.100 0.044 0.000 0.641 538 G HN 0.624 nan 8.290 nan 0.000 0.533 539 C N 1.117 120.435 119.300 0.031 0.000 3.243 539 C HA 0.356 4.814 4.460 -0.003 0.000 0.286 539 C C 2.605 177.600 174.990 0.009 0.000 1.373 539 C CA 0.966 59.992 59.018 0.015 0.000 1.749 539 C CB -0.715 27.021 27.740 -0.007 0.000 2.313 539 C HN 0.751 nan 8.230 nan 0.000 0.644 540 T N -0.978 113.590 114.554 0.023 0.000 2.867 540 T HA -0.050 4.298 4.350 -0.003 0.000 0.268 540 T C 0.453 175.179 174.700 0.042 0.000 1.057 540 T CA 1.218 63.337 62.100 0.032 0.000 1.136 540 T CB 0.180 69.070 68.868 0.036 0.000 0.874 540 T HN 0.624 nan 8.240 nan 0.000 0.466 541 E N 0.571 120.798 120.200 0.044 0.000 2.235 541 E HA 0.459 4.808 4.350 -0.003 0.000 0.265 541 E C -0.597 176.039 176.600 0.060 0.000 0.940 541 E CA -1.072 55.358 56.400 0.050 0.000 0.819 541 E CB 1.868 31.594 29.700 0.044 0.000 1.206 541 E HN 0.150 nan 8.360 nan 0.000 0.409 542 R N 1.513 122.051 120.500 0.063 0.000 2.491 542 R HA 0.020 4.358 4.340 -0.003 0.000 0.283 542 R C -0.957 175.394 176.300 0.086 0.000 1.072 542 R CA 0.023 56.171 56.100 0.080 0.000 1.048 542 R CB 0.434 30.777 30.300 0.071 0.000 0.983 542 R HN 0.376 nan 8.270 nan 0.000 0.450 543 D N 2.637 123.122 120.400 0.142 0.000 2.460 543 D HA 0.145 4.783 4.640 -0.003 0.000 0.232 543 D C -0.475 175.900 176.300 0.125 0.000 1.079 543 D CA -0.465 53.628 54.000 0.155 0.000 0.864 543 D CB 1.375 42.345 40.800 0.283 0.000 1.048 543 D HN 0.440 nan 8.370 nan 0.000 0.523 544 D N 2.111 122.535 120.400 0.041 0.000 2.323 544 D HA -0.041 4.597 4.640 -0.003 0.000 0.209 544 D C 1.975 178.264 176.300 -0.019 0.000 0.973 544 D CA 0.379 54.380 54.000 0.002 0.000 0.874 544 D CB 0.558 41.324 40.800 -0.057 0.000 0.930 544 D HN 0.259 nan 8.370 nan 0.000 0.521 545 V N 0.931 120.831 119.914 -0.023 0.000 2.379 545 V HA -0.114 4.004 4.120 -0.003 0.000 0.245 545 V C 1.561 177.589 176.094 -0.109 0.000 1.044 545 V CA 1.342 63.609 62.300 -0.054 0.000 1.036 545 V CB -0.148 31.648 31.823 -0.045 0.000 0.664 545 V HN 0.194 nan 8.190 nan 0.000 0.453 546 N N -1.744 116.860 118.700 -0.160 0.000 2.382 546 N HA 0.186 4.924 4.740 -0.003 0.000 0.200 546 N C 0.997 176.164 175.510 -0.572 0.000 1.122 546 N CA 0.366 53.174 53.050 -0.403 0.000 0.870 546 N CB 0.487 38.630 38.487 -0.573 0.000 1.176 546 N HN 0.463 nan 8.380 nan 0.000 0.474 547 F N 0.439 120.346 119.950 -0.073 0.000 2.654 547 F HA 0.314 4.839 4.527 -0.003 0.000 0.303 547 F C 0.636 176.415 175.800 -0.036 0.000 1.099 547 F CA -0.485 57.470 58.000 -0.074 0.000 1.270 547 F CB 0.600 39.583 39.000 -0.028 0.000 1.024 547 F HN -0.132 nan 8.300 nan 0.000 0.548 548 L N 3.626 124.891 121.223 0.071 0.000 2.511 548 L HA 0.203 4.541 4.340 -0.003 0.000 0.239 548 L C 0.043 176.914 176.870 0.002 0.000 1.400 548 L CA 0.296 55.158 54.840 0.037 0.000 1.226 548 L CB -1.710 40.358 42.059 0.015 0.000 1.475 548 L HN 0.095 nan 8.230 nan 0.000 0.428 549 K N -0.241 120.174 120.400 0.024 0.000 2.556 549 K HA 0.430 4.748 4.320 -0.003 0.000 0.274 549 K C -1.112 175.549 176.600 0.102 0.000 0.966 549 K CA -0.915 55.401 56.287 0.048 0.000 0.865 549 K CB 1.174 33.739 32.500 0.107 0.000 1.444 549 K HN 0.008 nan 8.250 nan 0.000 0.433 550 H N 0.971 120.184 119.070 0.239 0.000 2.562 550 H HA 0.164 4.719 4.556 -0.002 0.000 0.352 550 H C -0.269 175.226 175.328 0.278 0.000 1.125 550 H CA 0.037 56.221 56.048 0.228 0.000 1.379 550 H CB 1.387 31.225 29.762 0.127 0.000 1.464 550 H HN 0.504 nan 8.280 nan 0.000 0.563 551 T N 4.594 119.349 114.554 0.334 0.000 2.806 551 T HA 0.359 4.707 4.350 -0.003 0.000 0.290 551 T C 0.646 175.325 174.700 -0.035 0.000 0.966 551 T CA -0.631 61.517 62.100 0.081 0.000 1.060 551 T CB 0.375 69.292 68.868 0.081 0.000 0.927 551 T HN 0.237 nan 8.240 nan 0.000 0.485 552 L N 2.637 123.757 121.223 -0.172 0.000 2.325 552 L HA 0.709 5.047 4.340 -0.003 0.000 0.281 552 L C 0.064 176.815 176.870 -0.199 0.000 1.004 552 L CA -1.150 53.584 54.840 -0.176 0.000 0.823 552 L CB 1.504 43.514 42.059 -0.081 0.000 1.236 552 L HN 0.674 nan 8.230 nan 0.000 0.415 553 A N 3.790 126.436 122.820 -0.291 0.000 2.287 553 A HA 0.817 5.135 4.320 -0.003 0.000 0.317 553 A C -1.143 176.238 177.584 -0.339 0.000 1.220 553 A CA -0.255 51.665 52.037 -0.195 0.000 0.835 553 A CB 0.393 19.317 19.000 -0.126 0.000 1.180 553 A HN 0.508 nan 8.150 nan 0.000 0.500 554 F N 1.110 121.010 119.950 -0.083 0.000 2.495 554 F HA 0.574 5.098 4.527 -0.006 0.000 0.327 554 F C 0.677 176.436 175.800 -0.069 0.000 1.103 554 F CA -0.401 57.558 58.000 -0.069 0.000 0.949 554 F CB 2.032 40.991 39.000 -0.069 0.000 1.142 554 F HN 0.594 nan 8.300 nan 0.000 0.457 555 R N 2.400 122.963 120.500 0.105 0.000 2.295 555 R HA 0.314 4.652 4.340 -0.003 0.000 0.324 555 R C -1.079 175.251 176.300 0.051 0.000 0.968 555 R CA -0.652 55.476 56.100 0.047 0.000 0.837 555 R CB 0.632 30.936 30.300 0.007 0.000 1.133 555 R HN 0.613 nan 8.270 nan 0.000 0.450 556 D N 1.991 122.405 120.400 0.023 0.000 2.411 556 D HA 0.154 4.792 4.640 -0.003 0.000 0.251 556 D C 1.034 177.329 176.300 -0.009 0.000 1.201 556 D CA 0.018 54.020 54.000 0.004 0.000 0.996 556 D CB 0.937 41.727 40.800 -0.017 0.000 1.101 556 D HN 0.608 nan 8.370 nan 0.000 0.504 557 A N 0.534 123.345 122.820 -0.015 0.000 2.019 557 A HA -0.159 4.160 4.320 -0.003 0.000 0.219 557 A C 1.346 178.919 177.584 -0.017 0.000 1.164 557 A CA 1.605 53.630 52.037 -0.020 0.000 0.644 557 A CB -0.455 18.533 19.000 -0.020 0.000 0.805 557 A HN 0.616 nan 8.150 nan 0.000 0.449 558 D N -1.826 118.565 120.400 -0.016 0.000 2.349 558 D HA 0.216 4.855 4.640 -0.003 0.000 0.224 558 D C 1.151 177.445 176.300 -0.011 0.000 1.029 558 D CA 0.941 54.933 54.000 -0.013 0.000 0.879 558 D CB -0.648 40.143 40.800 -0.015 0.000 0.906 558 D HN 0.824 nan 8.370 nan 0.000 0.528 559 G N 0.284 109.076 108.800 -0.013 0.000 2.141 559 G HA2 -0.225 3.734 3.960 -0.003 0.000 0.231 559 G HA3 -0.225 3.734 3.960 -0.003 0.000 0.231 559 G C 0.321 175.214 174.900 -0.012 0.000 0.984 559 G CA 0.382 45.475 45.100 -0.011 0.000 0.660 559 G HN 0.778 nan 8.290 nan 0.000 0.525 560 T N -1.476 113.065 114.554 -0.022 0.000 2.902 560 T HA 0.650 4.999 4.350 -0.003 0.000 0.283 560 T C 0.003 174.662 174.700 -0.068 0.000 1.009 560 T CA 0.117 62.190 62.100 -0.046 0.000 1.051 560 T CB 2.136 70.972 68.868 -0.052 0.000 0.999 560 T HN 0.329 nan 8.240 nan 0.000 0.474 561 T N 4.482 118.947 114.554 -0.148 0.000 2.762 561 T HA 0.396 4.744 4.350 -0.003 0.000 0.303 561 T C 0.186 174.770 174.700 -0.194 0.000 0.977 561 T CA -0.863 61.141 62.100 -0.160 0.000 0.961 561 T CB 0.112 68.879 68.868 -0.168 0.000 0.944 561 T HN 0.435 nan 8.240 nan 0.000 0.481 562 R N 2.862 123.332 120.500 -0.050 0.000 2.536 562 R HA 0.624 4.962 4.340 -0.003 0.000 0.279 562 R C -0.518 175.812 176.300 0.049 0.000 1.001 562 R CA -0.730 55.354 56.100 -0.025 0.000 1.027 562 R CB 1.430 31.715 30.300 -0.025 0.000 1.096 562 R HN 0.528 nan 8.270 nan 0.000 0.502 563 L N 1.348 122.570 121.223 -0.001 0.000 2.362 563 L HA 0.520 4.858 4.340 -0.003 0.000 0.271 563 L C 0.151 176.969 176.870 -0.086 0.000 1.002 563 L CA -0.571 54.239 54.840 -0.050 0.000 0.818 563 L CB 2.091 44.066 42.059 -0.139 0.000 1.298 563 L HN 0.464 nan 8.230 nan 0.000 0.420 564 E N 1.055 121.178 120.200 -0.128 0.000 2.410 564 E HA 0.526 4.874 4.350 -0.003 0.000 0.269 564 E C -1.885 174.509 176.600 -0.344 0.000 0.937 564 E CA -0.824 55.514 56.400 -0.104 0.000 0.793 564 E CB 2.953 32.717 29.700 0.107 0.000 1.314 564 E HN 0.325 nan 8.360 nan 0.000 0.447 565 Y N 0.412 120.785 120.300 0.123 0.000 2.361 565 Y HA 0.262 4.811 4.550 -0.002 0.000 0.337 565 Y C -0.015 175.955 175.900 0.117 0.000 0.965 565 Y CA -0.768 57.406 58.100 0.122 0.000 1.091 565 Y CB 2.092 40.609 38.460 0.095 0.000 1.182 565 Y HN 0.394 nan 8.280 nan 0.000 0.450 566 S N 1.287 117.160 115.700 0.287 0.000 2.565 566 S HA 0.398 4.867 4.470 -0.003 0.000 0.290 566 S C -0.745 174.008 174.600 0.254 0.000 1.150 566 S CA -0.974 57.365 58.200 0.232 0.000 1.058 566 S CB 1.818 65.131 63.200 0.188 0.000 1.032 566 S HN 0.605 nan 8.310 nan 0.000 0.510 567 D N 0.690 121.202 120.400 0.186 0.000 2.344 567 D HA 0.349 4.987 4.640 -0.003 0.000 0.244 567 D C -0.560 175.856 176.300 0.192 0.000 1.134 567 D CA -0.266 53.821 54.000 0.145 0.000 0.930 567 D CB 1.422 42.281 40.800 0.098 0.000 1.175 567 D HN 0.397 nan 8.370 nan 0.000 0.437 568 V N 2.657 122.641 119.914 0.117 0.000 2.427 568 V HA 0.182 4.301 4.120 -0.003 0.000 0.286 568 V C 0.306 176.476 176.094 0.126 0.000 1.034 568 V CA -0.823 61.554 62.300 0.129 0.000 0.893 568 V CB 1.487 33.304 31.823 -0.010 0.000 0.982 568 V HN 0.392 nan 8.190 nan 0.000 0.452 569 K N 4.781 125.269 120.400 0.147 0.000 2.339 569 K HA 0.477 4.795 4.320 -0.003 0.000 0.286 569 K C -0.904 175.772 176.600 0.127 0.000 1.050 569 K CA 0.276 56.635 56.287 0.120 0.000 0.956 569 K CB 0.263 32.829 32.500 0.110 0.000 0.990 569 K HN 0.630 nan 8.250 nan 0.000 0.475 570 I N 5.150 125.795 120.570 0.125 0.000 2.448 570 I HA 0.116 4.285 4.170 -0.003 0.000 0.281 570 I C 0.929 177.132 176.117 0.143 0.000 1.027 570 I CA -0.415 60.976 61.300 0.151 0.000 1.111 570 I CB 1.890 39.986 38.000 0.159 0.000 1.236 570 I HN 0.915 nan 8.210 nan 0.000 0.452 571 T N -0.235 114.419 114.554 0.167 0.000 2.837 571 T HA -0.060 4.288 4.350 -0.003 0.000 0.248 571 T C 1.397 176.168 174.700 0.120 0.000 1.033 571 T CA 1.430 63.608 62.100 0.130 0.000 1.150 571 T CB -0.006 68.933 68.868 0.118 0.000 0.865 571 T HN 0.583 nan 8.240 nan 0.000 0.425 572 T N -1.693 112.958 114.554 0.161 0.000 2.986 572 T HA 0.440 4.788 4.350 -0.003 0.000 0.264 572 T C -0.055 174.765 174.700 0.200 0.000 0.964 572 T CA -0.479 61.698 62.100 0.129 0.000 0.895 572 T CB 0.069 68.957 68.868 0.032 0.000 1.163 572 T HN 0.248 nan 8.240 nan 0.000 0.517 573 L N 4.085 125.482 121.223 0.290 0.000 2.388 573 L HA 0.588 4.927 4.340 -0.003 0.000 0.267 573 L C -2.653 174.427 176.870 0.350 0.000 0.995 573 L CA -2.240 52.803 54.840 0.338 0.000 0.864 573 L CB 1.638 43.951 42.059 0.423 0.000 1.216 573 L HN -0.104 nan 8.230 nan 0.000 0.430 574 P HA 0.229 nan 4.420 nan 0.000 0.270 574 P C -2.769 174.600 177.300 0.115 0.000 1.223 574 P CA -1.132 62.068 63.100 0.167 0.000 0.785 574 P CB -0.319 31.433 31.700 0.088 0.000 0.923 575 P HA 0.325 nan 4.420 nan 0.000 0.280 575 P C -2.162 174.748 177.300 -0.649 0.000 1.244 575 P CA -0.222 62.433 63.100 -0.743 0.000 0.784 575 P CB 1.825 33.234 31.700 -0.485 0.000 0.913 576 A N 0.000 122.203 122.820 -1.028 0.000 2.254 576 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 576 A CA 0.000 51.694 52.037 -0.572 0.000 0.836 576 A CB 0.000 18.854 19.000 -0.244 0.000 0.831 576 A HN 0.000 nan 8.150 nan 0.000 0.486