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 1kf6_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 0.000 176.312 176.300 0.019 0.000 1.140 0 M CA 0.000 55.322 55.300 0.036 0.000 0.988 0 M CB 0.000 32.627 32.600 0.046 0.000 1.302 1 Q N 1.710 121.527 119.800 0.030 0.000 2.352 1 Q HA 0.435 4.772 4.340 -0.006 0.000 0.260 1 Q C -1.088 174.872 176.000 -0.068 0.000 0.976 1 Q CA 0.511 56.283 55.803 -0.052 0.000 0.881 1 Q CB 1.119 29.830 28.738 -0.045 0.000 1.235 1 Q HN 0.651 nan 8.270 nan 0.000 0.419 2 T N 3.358 117.794 114.554 -0.197 0.000 2.940 2 T HA 0.640 4.986 4.350 -0.006 0.000 0.288 2 T C -1.185 173.329 174.700 -0.310 0.000 1.033 2 T CA -0.360 61.672 62.100 -0.114 0.000 1.033 2 T CB 0.549 69.382 68.868 -0.057 0.000 1.079 2 T HN 0.453 nan 8.240 nan 0.000 0.496 3 F N 1.054 121.025 119.950 0.034 0.000 2.578 3 F HA 0.412 4.933 4.527 -0.011 0.000 0.311 3 F C -0.058 175.760 175.800 0.029 0.000 1.094 3 F CA -1.123 56.913 58.000 0.060 0.000 0.923 3 F CB 2.082 41.156 39.000 0.123 0.000 1.230 3 F HN 0.199 nan 8.300 nan 0.000 0.450 4 Q N 2.263 122.192 119.800 0.215 0.000 2.256 4 Q HA 0.833 5.170 4.340 -0.006 0.000 0.257 4 Q C -0.810 175.266 176.000 0.127 0.000 0.936 4 Q CA -0.683 55.194 55.803 0.124 0.000 0.903 4 Q CB 2.269 31.052 28.738 0.075 0.000 1.263 4 Q HN 0.773 nan 8.270 nan 0.000 0.440 5 A N 1.953 124.821 122.820 0.079 0.000 2.572 5 A HA 0.466 4.782 4.320 -0.006 0.000 0.295 5 A C -0.477 177.127 177.584 0.033 0.000 1.072 5 A CA -0.642 51.430 52.037 0.059 0.000 0.691 5 A CB 1.115 20.142 19.000 0.044 0.000 1.291 5 A HN 0.614 nan 8.150 nan 0.000 0.404 6 D N -0.240 120.173 120.400 0.022 0.000 2.123 6 D HA 0.171 4.807 4.640 -0.006 0.000 0.200 6 D C 0.601 176.903 176.300 0.003 0.000 0.976 6 D CA 1.896 55.903 54.000 0.012 0.000 0.831 6 D CB 0.019 40.821 40.800 0.003 0.000 0.974 6 D HN 0.574 nan 8.370 nan 0.000 0.469 7 L N -3.089 118.127 121.223 -0.012 0.000 2.472 7 L HA 0.835 5.171 4.340 -0.006 0.000 0.260 7 L C -1.657 175.189 176.870 -0.040 0.000 0.963 7 L CA -1.512 53.310 54.840 -0.029 0.000 0.829 7 L CB 2.283 44.306 42.059 -0.061 0.000 1.348 7 L HN -0.255 nan 8.230 nan 0.000 0.408 8 A N 4.055 126.846 122.820 -0.050 0.000 2.288 8 A HA 0.819 5.136 4.320 -0.006 0.000 0.320 8 A C -0.586 176.954 177.584 -0.073 0.000 1.217 8 A CA -0.468 51.523 52.037 -0.077 0.000 0.840 8 A CB 0.710 19.647 19.000 -0.105 0.000 1.179 8 A HN 0.714 nan 8.150 nan 0.000 0.504 9 I N 3.343 123.870 120.570 -0.072 0.000 2.330 9 I HA 0.242 4.408 4.170 -0.006 0.000 0.289 9 I C -0.606 175.470 176.117 -0.067 0.000 1.001 9 I CA -0.723 60.541 61.300 -0.061 0.000 1.193 9 I CB 1.835 39.806 38.000 -0.049 0.000 1.345 9 I HN 0.307 nan 8.210 nan 0.000 0.461 10 V N 5.856 125.726 119.914 -0.073 0.000 2.339 10 V HA 0.719 4.835 4.120 -0.006 0.000 0.261 10 V C 0.564 176.613 176.094 -0.076 0.000 1.058 10 V CA -0.359 61.887 62.300 -0.091 0.000 0.897 10 V CB 0.204 31.957 31.823 -0.116 0.000 1.052 10 V HN 1.058 nan 8.190 nan 0.000 0.480 11 G N 3.910 112.673 108.800 -0.061 0.000 3.239 11 G HA2 0.377 4.334 3.960 -0.006 0.000 0.666 11 G HA3 0.377 4.334 3.960 -0.006 0.000 0.666 11 G C -0.362 174.531 174.900 -0.012 0.000 1.313 11 G CA -0.304 44.770 45.100 -0.043 0.000 1.001 11 G HN 1.302 nan 8.290 nan 0.000 0.573 12 A N 1.468 124.288 122.820 -0.000 0.000 2.911 12 A HA 0.808 5.124 4.320 -0.006 0.000 0.304 12 A C 1.240 178.837 177.584 0.022 0.000 1.144 12 A CA 1.033 53.084 52.037 0.024 0.000 0.988 12 A CB -0.125 18.901 19.000 0.043 0.000 1.141 12 A HN 2.009 nan 8.150 nan 0.000 0.552 13 G N -0.588 108.226 108.800 0.024 0.000 2.574 13 G HA2 0.431 4.387 3.960 -0.006 0.000 0.248 13 G HA3 0.431 4.387 3.960 -0.006 0.000 0.248 13 G C 1.149 176.080 174.900 0.051 0.000 1.422 13 G CA 0.184 45.304 45.100 0.033 0.000 1.051 13 G HN 0.539 nan 8.290 nan 0.000 0.560 14 G N 0.156 108.997 108.800 0.068 0.000 2.545 14 G HA2 -0.039 3.918 3.960 -0.006 0.000 0.217 14 G HA3 -0.039 3.918 3.960 -0.006 0.000 0.217 14 G C 2.052 177.008 174.900 0.093 0.000 1.218 14 G CA 2.387 47.541 45.100 0.089 0.000 0.787 14 G HN 0.989 nan 8.290 nan 0.000 0.571 15 A N 0.812 123.689 122.820 0.095 0.000 1.859 15 A HA 0.073 4.390 4.320 -0.006 0.000 0.217 15 A C 2.793 180.412 177.584 0.058 0.000 1.198 15 A CA 2.545 54.637 52.037 0.092 0.000 0.629 15 A CB -1.377 17.679 19.000 0.093 0.000 0.830 15 A HN 0.747 nan 8.150 nan 0.000 0.446 16 G N -0.442 108.381 108.800 0.038 0.000 2.446 16 G HA2 -0.198 3.758 3.960 -0.006 0.000 0.217 16 G HA3 -0.198 3.758 3.960 -0.006 0.000 0.217 16 G C 1.602 176.508 174.900 0.011 0.000 1.168 16 G CA 1.151 46.260 45.100 0.015 0.000 0.771 16 G HN 0.428 nan 8.290 nan 0.000 0.551 17 L N -0.262 120.978 121.223 0.029 0.000 2.017 17 L HA -0.028 4.308 4.340 -0.006 0.000 0.208 17 L C 2.909 179.775 176.870 -0.007 0.000 1.073 17 L CA 1.377 56.227 54.840 0.017 0.000 0.745 17 L CB -0.279 41.810 42.059 0.049 0.000 0.894 17 L HN 0.160 nan 8.230 nan 0.000 0.432 18 R N 0.455 120.980 120.500 0.042 0.000 2.120 18 R HA -0.129 4.207 4.340 -0.006 0.000 0.234 18 R C 2.069 178.382 176.300 0.022 0.000 1.123 18 R CA 1.548 57.692 56.100 0.073 0.000 0.975 18 R CB -0.457 29.924 30.300 0.134 0.000 0.866 18 R HN 0.346 nan 8.270 nan 0.000 0.446 19 A N 0.037 122.857 122.820 0.000 0.000 1.897 19 A HA 0.088 4.404 4.320 -0.006 0.000 0.215 19 A C 2.351 179.884 177.584 -0.086 0.000 1.181 19 A CA 1.334 53.349 52.037 -0.037 0.000 0.620 19 A CB -0.930 18.049 19.000 -0.035 0.000 0.821 19 A HN 0.450 nan 8.150 nan 0.000 0.443 20 A N 0.047 122.814 122.820 -0.089 0.000 1.902 20 A HA -0.101 4.216 4.320 -0.006 0.000 0.217 20 A C 2.111 179.555 177.584 -0.234 0.000 1.181 20 A CA 1.613 53.573 52.037 -0.128 0.000 0.623 20 A CB -0.600 18.346 19.000 -0.091 0.000 0.818 20 A HN 0.486 nan 8.150 nan 0.000 0.443 21 I N -0.389 120.012 120.570 -0.283 0.000 2.202 21 I HA -0.237 3.929 4.170 -0.006 0.000 0.242 21 I C 2.978 178.859 176.117 -0.394 0.000 1.091 21 I CA 0.951 61.933 61.300 -0.530 0.000 1.368 21 I CB -0.321 37.398 38.000 -0.468 0.000 1.058 21 I HN 0.346 nan 8.210 nan 0.000 0.410 22 A N 0.789 123.506 122.820 -0.171 0.000 1.908 22 A HA -0.234 4.082 4.320 -0.006 0.000 0.218 22 A C 2.523 180.025 177.584 -0.136 0.000 1.181 22 A CA 2.100 54.078 52.037 -0.098 0.000 0.627 22 A CB -0.939 18.035 19.000 -0.044 0.000 0.818 22 A HN 0.443 nan 8.150 nan 0.000 0.445 23 A N -0.444 122.283 122.820 -0.156 0.000 1.933 23 A HA 0.204 4.520 4.320 -0.006 0.000 0.218 23 A C 2.438 179.933 177.584 -0.148 0.000 1.175 23 A CA 1.954 53.908 52.037 -0.139 0.000 0.628 23 A CB -0.845 18.076 19.000 -0.132 0.000 0.814 23 A HN 1.075 nan 8.150 nan 0.000 0.444 24 A N -0.960 121.716 122.820 -0.240 0.000 2.014 24 A HA -0.097 4.219 4.320 -0.006 0.000 0.218 24 A C 2.054 179.534 177.584 -0.173 0.000 1.163 24 A CA 1.363 53.259 52.037 -0.236 0.000 0.652 24 A CB -0.337 18.408 19.000 -0.425 0.000 0.808 24 A HN 0.646 nan 8.150 nan 0.000 0.449 25 Q N -1.003 118.669 119.800 -0.213 0.000 2.302 25 Q HA 0.142 4.479 4.340 -0.006 0.000 0.202 25 Q C 2.232 178.223 176.000 -0.015 0.000 0.936 25 Q CA 0.791 56.561 55.803 -0.055 0.000 0.886 25 Q CB -0.131 28.592 28.738 -0.025 0.000 0.986 25 Q HN 0.649 nan 8.270 nan 0.000 0.487 26 A N 1.352 124.146 122.820 -0.043 0.000 1.970 26 A HA -0.059 4.258 4.320 -0.006 0.000 0.216 26 A C 0.924 178.498 177.584 -0.016 0.000 1.170 26 A CA 0.868 52.890 52.037 -0.024 0.000 0.645 26 A CB 0.147 19.123 19.000 -0.040 0.000 0.816 26 A HN 0.234 nan 8.150 nan 0.000 0.447 27 N N -1.245 117.441 118.700 -0.024 0.000 2.640 27 N HA 0.326 5.063 4.740 -0.006 0.000 0.262 27 N C -2.770 172.740 175.510 -0.000 0.000 1.174 27 N CA -1.894 51.150 53.050 -0.010 0.000 0.791 27 N CB 1.351 39.828 38.487 -0.016 0.000 1.279 27 N HN -0.207 nan 8.380 nan 0.000 0.535 28 P HA -0.035 nan 4.420 nan 0.000 0.223 28 P C 0.319 177.638 177.300 0.032 0.000 1.144 28 P CA 1.011 64.135 63.100 0.039 0.000 0.783 28 P CB 0.324 32.053 31.700 0.048 0.000 0.771 29 N N -1.235 117.477 118.700 0.020 0.000 2.299 29 N HA 0.107 4.843 4.740 -0.006 0.000 0.187 29 N C 0.725 176.244 175.510 0.015 0.000 1.099 29 N CA 0.042 53.103 53.050 0.018 0.000 0.867 29 N CB -0.032 38.465 38.487 0.015 0.000 0.974 29 N HN 0.056 nan 8.380 nan 0.000 0.477 30 A N 1.196 124.021 122.820 0.008 0.000 2.448 30 A HA 0.108 4.425 4.320 -0.006 0.000 0.239 30 A C 0.662 178.252 177.584 0.011 0.000 1.080 30 A CA 0.256 52.295 52.037 0.003 0.000 0.779 30 A CB 0.441 19.433 19.000 -0.014 0.000 1.026 30 A HN -0.069 nan 8.150 nan 0.000 0.499 31 K N 2.239 122.649 120.400 0.017 0.000 2.464 31 K HA 0.461 4.778 4.320 -0.006 0.000 0.252 31 K C -1.511 175.106 176.600 0.027 0.000 1.000 31 K CA -0.081 56.225 56.287 0.031 0.000 0.951 31 K CB 0.307 32.836 32.500 0.049 0.000 1.183 31 K HN 0.612 nan 8.250 nan 0.000 0.445 32 I N 2.850 123.431 120.570 0.018 0.000 2.336 32 I HA 0.270 4.436 4.170 -0.006 0.000 0.292 32 I C 0.247 176.387 176.117 0.039 0.000 0.991 32 I CA -0.754 60.550 61.300 0.006 0.000 1.227 32 I CB 1.810 39.794 38.000 -0.027 0.000 1.366 32 I HN 0.521 nan 8.210 nan 0.000 0.466 33 A N 7.529 130.370 122.820 0.035 0.000 2.366 33 A HA 0.503 4.819 4.320 -0.006 0.000 0.322 33 A C -0.678 176.928 177.584 0.036 0.000 1.397 33 A CA -0.397 51.690 52.037 0.084 0.000 0.984 33 A CB 0.167 19.127 19.000 -0.067 0.000 1.149 33 A HN 0.598 nan 8.150 nan 0.000 0.540 34 L N 4.575 125.859 121.223 0.102 0.000 2.260 34 L HA 0.610 4.946 4.340 -0.006 0.000 0.289 34 L C -0.641 176.283 176.870 0.089 0.000 1.057 34 L CA 0.014 54.888 54.840 0.057 0.000 0.811 34 L CB 0.256 42.347 42.059 0.053 0.000 1.184 34 L HN 0.576 nan 8.230 nan 0.000 0.429 35 I N 3.945 124.519 120.570 0.007 0.000 2.562 35 I HA 0.682 4.849 4.170 -0.006 0.000 0.301 35 I C -0.033 176.081 176.117 -0.004 0.000 1.003 35 I CA -0.361 60.941 61.300 0.004 0.000 1.127 35 I CB 1.984 39.918 38.000 -0.110 0.000 1.304 35 I HN 0.631 nan 8.210 nan 0.000 0.446 36 S N 2.923 118.634 115.700 0.019 0.000 2.542 36 S HA 0.279 4.745 4.470 -0.006 0.000 0.276 36 S C 0.019 174.614 174.600 -0.009 0.000 1.148 36 S CA -0.896 57.294 58.200 -0.017 0.000 0.886 36 S CB 1.303 64.495 63.200 -0.014 0.000 1.109 36 S HN 0.763 nan 8.310 nan 0.000 0.458 37 K N 1.686 122.066 120.400 -0.032 0.000 2.487 37 K HA 0.234 4.550 4.320 -0.006 0.000 0.192 37 K C 0.603 177.222 176.600 0.031 0.000 1.027 37 K CA 0.510 56.808 56.287 0.018 0.000 1.054 37 K CB -0.306 32.225 32.500 0.052 0.000 0.824 37 K HN 0.520 nan 8.250 nan 0.000 0.510 38 V N -2.630 117.280 119.914 -0.006 0.000 3.130 38 V HA 0.422 4.538 4.120 -0.006 0.000 0.310 38 V C -0.744 175.302 176.094 -0.080 0.000 1.158 38 V CA -1.607 60.693 62.300 -0.000 0.000 1.029 38 V CB 0.721 32.585 31.823 0.068 0.000 1.057 38 V HN 0.001 nan 8.190 nan 0.000 0.436 39 Y N 2.232 122.526 120.300 -0.009 0.000 2.597 39 Y HA 0.253 4.800 4.550 -0.005 0.000 0.336 39 Y C -1.283 174.488 175.900 -0.215 0.000 1.216 39 Y CA -0.490 57.545 58.100 -0.108 0.000 1.463 39 Y CB 0.354 38.726 38.460 -0.148 0.000 1.303 39 Y HN 0.505 nan 8.280 nan 0.000 0.576 40 P HA -0.336 nan 4.420 nan 0.000 0.219 40 P C 1.636 178.726 177.300 -0.351 0.000 1.158 40 P CA 2.387 65.333 63.100 -0.256 0.000 0.895 40 P CB -0.036 31.492 31.700 -0.288 0.000 0.792 41 M N -2.442 116.790 119.600 -0.614 0.000 2.700 41 M HA 0.018 4.495 4.480 -0.006 0.000 0.249 41 M C 0.770 176.961 176.300 -0.182 0.000 1.082 41 M CA 1.710 56.693 55.300 -0.528 0.000 1.077 41 M CB -0.896 31.240 32.600 -0.774 0.000 1.477 41 M HN -0.204 nan 8.290 nan 0.000 0.529 42 R N 0.802 121.255 120.500 -0.078 0.000 2.362 42 R HA 0.348 4.684 4.340 -0.006 0.000 0.227 42 R C 0.217 176.548 176.300 0.051 0.000 0.905 42 R CA 0.007 56.126 56.100 0.032 0.000 1.067 42 R CB 0.015 30.361 30.300 0.077 0.000 1.078 42 R HN 0.353 nan 8.270 nan 0.000 0.516 43 S N -0.047 115.662 115.700 0.015 0.000 2.576 43 S HA -0.070 4.396 4.470 -0.006 0.000 0.272 43 S C 0.920 175.581 174.600 0.102 0.000 1.352 43 S CA -0.247 57.985 58.200 0.053 0.000 1.021 43 S CB 0.583 63.796 63.200 0.022 0.000 0.887 43 S HN 0.372 nan 8.310 nan 0.000 0.542 44 H N 1.610 120.700 119.070 0.033 0.000 2.518 44 H HA -0.042 4.511 4.556 -0.006 0.000 0.289 44 H C 1.785 177.156 175.328 0.072 0.000 1.051 44 H CA 1.896 57.975 56.048 0.051 0.000 1.280 44 H CB -0.481 29.301 29.762 0.033 0.000 1.380 44 H HN 0.592 nan 8.280 nan 0.000 0.566 45 T N -0.792 113.755 114.554 -0.011 0.000 2.849 45 T HA -0.173 4.174 4.350 -0.006 0.000 0.270 45 T C 2.174 176.853 174.700 -0.034 0.000 1.066 45 T CA 1.129 63.214 62.100 -0.025 0.000 1.130 45 T CB -0.582 68.308 68.868 0.038 0.000 0.864 45 T HN 0.262 nan 8.240 nan 0.000 0.481 46 V N 1.246 121.157 119.914 -0.006 0.000 2.568 46 V HA -0.112 4.005 4.120 -0.006 0.000 0.253 46 V C 2.404 178.542 176.094 0.073 0.000 1.072 46 V CA 1.800 64.150 62.300 0.083 0.000 1.084 46 V CB -0.727 31.183 31.823 0.144 0.000 0.676 46 V HN 0.538 nan 8.190 nan 0.000 0.469 47 A N -0.384 122.401 122.820 -0.057 0.000 2.169 47 A HA 0.533 4.849 4.320 -0.006 0.000 0.212 47 A C 1.389 178.985 177.584 0.020 0.000 1.153 47 A CA 0.692 52.713 52.037 -0.027 0.000 0.756 47 A CB -0.487 18.419 19.000 -0.156 0.000 0.813 47 A HN 0.792 nan 8.150 nan 0.000 0.471 48 A N 0.887 123.699 122.820 -0.014 0.000 2.511 48 A HA 0.357 4.673 4.320 -0.006 0.000 0.242 48 A C 0.941 178.594 177.584 0.114 0.000 1.069 48 A CA 0.502 52.573 52.037 0.055 0.000 0.763 48 A CB 0.069 19.099 19.000 0.050 0.000 1.001 48 A HN 0.626 nan 8.150 nan 0.000 0.498 49 E N 2.712 122.989 120.200 0.128 0.000 2.421 49 E HA 0.086 4.433 4.350 -0.006 0.000 0.209 49 E C 1.470 178.148 176.600 0.131 0.000 0.871 49 E CA 0.588 57.092 56.400 0.173 0.000 1.064 49 E CB -0.125 29.726 29.700 0.251 0.000 1.075 49 E HN 0.638 nan 8.360 nan 0.000 0.513 50 G N 1.711 110.510 108.800 -0.003 0.000 2.424 50 G HA2 0.295 4.252 3.960 -0.006 0.000 0.214 50 G HA3 0.295 4.252 3.960 -0.006 0.000 0.214 50 G C 0.760 175.366 174.900 -0.490 0.000 1.202 50 G CA 0.891 45.770 45.100 -0.369 0.000 0.793 50 G HN 0.594 nan 8.290 nan 0.000 0.534 51 G N -1.986 106.631 108.800 -0.306 0.000 2.352 51 G HA2 0.421 4.377 3.960 -0.006 0.000 0.283 51 G HA3 0.421 4.377 3.960 -0.006 0.000 0.283 51 G C -1.325 173.596 174.900 0.034 0.000 1.308 51 G CA 0.448 45.544 45.100 -0.007 0.000 0.892 51 G HN 0.926 nan 8.290 nan 0.000 0.504 52 S N -0.804 114.990 115.700 0.156 0.000 2.672 52 S HA 0.734 5.201 4.470 -0.006 0.000 0.291 52 S C 0.219 174.815 174.600 -0.007 0.000 1.145 52 S CA 0.670 58.930 58.200 0.100 0.000 1.013 52 S CB 0.837 64.147 63.200 0.183 0.000 1.017 52 S HN 2.115 nan 8.310 nan 0.000 0.487 53 A N 3.368 126.197 122.820 0.015 0.000 2.477 53 A HA 0.748 5.064 4.320 -0.006 0.000 0.246 53 A C 0.400 177.864 177.584 -0.200 0.000 1.078 53 A CA 0.213 52.224 52.037 -0.043 0.000 0.770 53 A CB -0.064 18.953 19.000 0.029 0.000 1.011 53 A HN 1.821 nan 8.150 nan 0.000 0.494 54 A N 2.268 124.966 122.820 -0.203 0.000 2.534 54 A HA 0.498 4.814 4.320 -0.006 0.000 0.300 54 A C -0.602 177.018 177.584 0.059 0.000 1.054 54 A CA -0.579 51.349 52.037 -0.180 0.000 0.858 54 A CB 0.104 18.767 19.000 -0.561 0.000 1.333 54 A HN 1.463 nan 8.150 nan 0.000 0.391 55 V N 1.530 121.446 119.914 0.004 0.000 2.584 55 V HA 0.290 4.407 4.120 -0.006 0.000 0.303 55 V C 1.256 177.346 176.094 -0.006 0.000 1.035 55 V CA 1.707 63.958 62.300 -0.082 0.000 1.172 55 V CB 0.485 32.109 31.823 -0.332 0.000 0.896 55 V HN 1.679 nan 8.190 nan 0.000 0.486 56 A N 3.530 126.328 122.820 -0.036 0.000 1.757 56 A HA 0.220 4.537 4.320 -0.006 0.000 0.205 56 A C 0.753 178.267 177.584 -0.117 0.000 1.791 56 A CA -0.239 51.773 52.037 -0.042 0.000 1.282 56 A CB 0.099 19.050 19.000 -0.082 0.000 1.297 56 A HN 0.680 nan 8.150 nan 0.000 0.422 57 Q N 1.049 120.771 119.800 -0.129 0.000 2.394 57 Q HA 0.140 4.477 4.340 -0.006 0.000 0.248 57 Q C -0.316 175.627 176.000 -0.094 0.000 0.992 57 Q CA -0.180 55.566 55.803 -0.095 0.000 0.888 57 Q CB 0.658 29.337 28.738 -0.098 0.000 1.257 57 Q HN 0.321 nan 8.270 nan 0.000 0.462 58 D N 0.828 121.232 120.400 0.006 0.000 2.149 58 D HA -0.161 4.476 4.640 -0.006 0.000 0.198 58 D C 1.449 177.776 176.300 0.045 0.000 0.990 58 D CA 1.606 55.612 54.000 0.011 0.000 0.839 58 D CB -0.117 40.706 40.800 0.038 0.000 0.948 58 D HN 0.675 nan 8.370 nan 0.000 0.460 59 H N -1.506 117.557 119.070 -0.011 0.000 2.547 59 H HA 0.232 4.785 4.556 -0.006 0.000 0.274 59 H C 0.285 175.679 175.328 0.110 0.000 1.024 59 H CA -0.355 55.713 56.048 0.033 0.000 1.155 59 H CB 0.152 29.932 29.762 0.030 0.000 1.344 59 H HN -0.147 nan 8.280 nan 0.000 0.598 60 D N 0.438 120.716 120.400 -0.203 0.000 2.478 60 D HA 0.406 5.043 4.640 -0.006 0.000 0.263 60 D C -0.437 175.755 176.300 -0.179 0.000 1.153 60 D CA -0.641 53.297 54.000 -0.103 0.000 1.038 60 D CB 1.934 42.601 40.800 -0.222 0.000 1.120 60 D HN 0.243 nan 8.370 nan 0.000 0.564 61 S N -0.260 115.273 115.700 -0.278 0.000 2.537 61 S HA 0.261 4.728 4.470 -0.006 0.000 0.270 61 S C 0.503 174.896 174.600 -0.346 0.000 1.142 61 S CA -0.678 57.211 58.200 -0.518 0.000 0.870 61 S CB 0.269 62.918 63.200 -0.919 0.000 1.112 61 S HN 0.389 nan 8.310 nan 0.000 0.466 62 F N 1.510 121.332 119.950 -0.214 0.000 2.192 62 F HA -0.096 4.428 4.527 -0.005 0.000 0.301 62 F C 2.434 178.199 175.800 -0.059 0.000 1.079 62 F CA 1.579 59.450 58.000 -0.215 0.000 1.303 62 F CB 0.062 38.740 39.000 -0.538 0.000 1.024 62 F HN 0.760 nan 8.300 nan 0.000 0.494 63 E N -0.034 120.196 120.200 0.050 0.000 2.150 63 E HA -0.211 4.136 4.350 -0.006 0.000 0.193 63 E C 1.716 178.490 176.600 0.290 0.000 0.985 63 E CA 1.469 57.937 56.400 0.113 0.000 0.814 63 E CB -0.437 29.237 29.700 -0.045 0.000 0.752 63 E HN 0.422 nan 8.360 nan 0.000 0.466 64 Y N -0.654 119.761 120.300 0.191 0.000 2.337 64 Y HA 0.005 4.552 4.550 -0.006 0.000 0.293 64 Y C 2.372 178.430 175.900 0.263 0.000 1.123 64 Y CA 1.327 59.529 58.100 0.170 0.000 1.201 64 Y CB -1.005 37.492 38.460 0.062 0.000 1.011 64 Y HN 0.361 nan 8.280 nan 0.000 0.545 65 H N -1.333 117.913 119.070 0.294 0.000 2.428 65 H HA -0.158 4.395 4.556 -0.006 0.000 0.296 65 H C 2.045 177.523 175.328 0.249 0.000 1.062 65 H CA 0.887 57.071 56.048 0.228 0.000 1.350 65 H CB -0.172 29.694 29.762 0.173 0.000 1.403 65 H HN 0.287 nan 8.280 nan 0.000 0.533 66 F N 0.615 120.693 119.950 0.214 0.000 2.102 66 F HA -0.190 4.333 4.527 -0.006 0.000 0.298 66 F C 2.499 178.378 175.800 0.132 0.000 1.105 66 F CA 2.059 60.131 58.000 0.119 0.000 1.239 66 F CB -0.514 38.567 39.000 0.136 0.000 0.991 66 F HN 0.210 nan 8.300 nan 0.000 0.474 67 H N -0.581 118.608 119.070 0.197 0.000 2.395 67 H HA -0.088 4.464 4.556 -0.006 0.000 0.299 67 H C 1.870 177.174 175.328 -0.039 0.000 1.070 67 H CA 1.861 57.957 56.048 0.080 0.000 1.356 67 H CB -0.260 29.658 29.762 0.259 0.000 1.401 67 H HN 0.182 nan 8.280 nan 0.000 0.524 68 D N -0.702 119.834 120.400 0.228 0.000 2.097 68 D HA -0.134 4.502 4.640 -0.006 0.000 0.195 68 D C 2.073 178.365 176.300 -0.013 0.000 0.989 68 D CA 1.760 55.849 54.000 0.147 0.000 0.827 68 D CB -0.507 40.432 40.800 0.232 0.000 0.966 68 D HN 0.374 nan 8.370 nan 0.000 0.456 69 T N 0.241 114.764 114.554 -0.052 0.000 2.674 69 T HA -0.091 4.256 4.350 -0.006 0.000 0.265 69 T C 2.222 176.718 174.700 -0.339 0.000 1.039 69 T CA 0.880 62.898 62.100 -0.137 0.000 1.150 69 T CB -0.376 68.411 68.868 -0.136 0.000 0.864 69 T HN -0.049 nan 8.240 nan 0.000 0.427 70 V N 1.622 121.195 119.914 -0.568 0.000 2.343 70 V HA -0.164 3.952 4.120 -0.006 0.000 0.247 70 V C 2.842 178.334 176.094 -1.004 0.000 1.051 70 V CA 1.796 63.612 62.300 -0.807 0.000 1.036 70 V CB -1.114 30.116 31.823 -0.989 0.000 0.654 70 V HN 0.532 nan 8.190 nan 0.000 0.451 71 A N 0.331 122.612 122.820 -0.899 0.000 1.929 71 A HA -0.002 4.315 4.320 -0.006 0.000 0.216 71 A C 2.374 179.752 177.584 -0.343 0.000 1.176 71 A CA 1.589 53.143 52.037 -0.805 0.000 0.628 71 A CB -1.050 17.726 19.000 -0.374 0.000 0.816 71 A HN 0.531 nan 8.150 nan 0.000 0.444 72 G N -0.680 107.980 108.800 -0.232 0.000 2.471 72 G HA2 0.110 4.066 3.960 -0.006 0.000 0.219 72 G HA3 0.110 4.066 3.960 -0.006 0.000 0.219 72 G C 1.204 176.030 174.900 -0.123 0.000 1.125 72 G CA 1.050 46.085 45.100 -0.108 0.000 0.775 72 G HN 0.734 nan 8.290 nan 0.000 0.548 73 G N -0.672 107.998 108.800 -0.217 0.000 3.189 73 G HA2 0.274 4.230 3.960 -0.006 0.000 0.225 73 G HA3 0.274 4.230 3.960 -0.006 0.000 0.225 73 G C 0.306 175.101 174.900 -0.176 0.000 1.159 73 G CA 0.424 45.406 45.100 -0.196 0.000 0.763 73 G HN 0.185 nan 8.290 nan 0.000 0.549 74 D N -0.626 119.708 120.400 -0.110 0.000 2.708 74 D HA -0.168 4.468 4.640 -0.006 0.000 0.236 74 D C 0.529 176.976 176.300 0.245 0.000 1.146 74 D CA 0.732 54.816 54.000 0.139 0.000 0.662 74 D CB -1.251 39.619 40.800 0.117 0.000 1.059 74 D HN 0.546 nan 8.370 nan 0.000 0.428 75 W N -1.750 119.489 121.300 -0.102 0.000 4.141 75 W HA -0.306 4.350 4.660 -0.006 0.000 0.336 75 W C 0.847 177.296 176.519 -0.117 0.000 1.258 75 W CA 0.174 57.460 57.345 -0.097 0.000 0.747 75 W CB -1.745 27.677 29.460 -0.062 0.000 2.338 75 W HN 0.339 nan 8.180 nan 0.000 1.410 76 L N -0.261 120.909 121.223 -0.088 0.000 2.769 76 L HA 0.127 4.464 4.340 -0.006 0.000 0.240 76 L C 1.053 177.845 176.870 -0.130 0.000 1.163 76 L CA 0.196 54.943 54.840 -0.155 0.000 0.962 76 L CB 0.080 42.008 42.059 -0.218 0.000 1.258 76 L HN -0.115 nan 8.230 nan 0.000 0.513 77 C N 0.888 120.097 119.300 -0.152 0.000 2.527 77 C HA 0.156 4.613 4.460 -0.006 0.000 0.396 77 C C 0.942 175.904 174.990 -0.046 0.000 1.289 77 C CA -0.952 57.990 59.018 -0.128 0.000 2.047 77 C CB 0.528 28.117 27.740 -0.252 0.000 2.568 77 C HN 0.234 nan 8.230 nan 0.000 0.573 78 E N 2.302 122.507 120.200 0.009 0.000 1.881 78 E HA -0.001 4.345 4.350 -0.006 0.000 0.264 78 E C 1.009 177.638 176.600 0.049 0.000 1.243 78 E CA 0.377 56.809 56.400 0.054 0.000 0.965 78 E CB 0.287 30.006 29.700 0.031 0.000 1.055 78 E HN 0.688 nan 8.360 nan 0.000 0.412 79 Q N 1.324 121.173 119.800 0.082 0.000 2.248 79 Q HA -0.210 4.126 4.340 -0.006 0.000 0.208 79 Q C 1.318 177.486 176.000 0.280 0.000 0.984 79 Q CA 1.643 57.558 55.803 0.186 0.000 0.875 79 Q CB 0.209 29.107 28.738 0.265 0.000 0.910 79 Q HN 0.510 nan 8.270 nan 0.000 0.433 80 D N -0.663 119.847 120.400 0.184 0.000 2.183 80 D HA -0.102 4.534 4.640 -0.006 0.000 0.203 80 D C 1.748 178.177 176.300 0.216 0.000 0.969 80 D CA 0.749 54.857 54.000 0.180 0.000 0.842 80 D CB -0.328 40.540 40.800 0.112 0.000 0.957 80 D HN 0.113 nan 8.370 nan 0.000 0.484 81 V N 0.904 120.923 119.914 0.175 0.000 2.379 81 V HA -0.176 3.941 4.120 -0.006 0.000 0.245 81 V C 2.919 179.217 176.094 0.340 0.000 1.044 81 V CA 0.978 63.411 62.300 0.222 0.000 1.036 81 V CB -0.266 31.589 31.823 0.054 0.000 0.664 81 V HN 0.081 nan 8.190 nan 0.000 0.453 82 V N 0.657 120.705 119.914 0.223 0.000 2.332 82 V HA -0.339 3.777 4.120 -0.006 0.000 0.248 82 V C 2.292 178.654 176.094 0.446 0.000 1.055 82 V CA 2.556 64.995 62.300 0.231 0.000 1.038 82 V CB -0.725 31.058 31.823 -0.065 0.000 0.651 82 V HN 0.656 nan 8.190 nan 0.000 0.450 83 D N -1.052 119.666 120.400 0.530 0.000 2.097 83 D HA -0.267 4.369 4.640 -0.006 0.000 0.195 83 D C 2.038 178.578 176.300 0.400 0.000 0.989 83 D CA 1.587 55.882 54.000 0.491 0.000 0.827 83 D CB -0.264 40.718 40.800 0.305 0.000 0.966 83 D HN 0.555 nan 8.370 nan 0.000 0.456 84 Y N -0.481 119.963 120.300 0.239 0.000 2.274 84 Y HA -0.190 4.357 4.550 -0.004 0.000 0.290 84 Y C 1.815 177.830 175.900 0.191 0.000 1.145 84 Y CA 1.511 59.715 58.100 0.173 0.000 1.203 84 Y CB -0.403 38.106 38.460 0.082 0.000 0.984 84 Y HN 0.090 nan 8.280 nan 0.000 0.533 85 F N 0.496 120.535 119.950 0.148 0.000 2.060 85 F HA -0.184 4.340 4.527 -0.006 0.000 0.295 85 F C 2.455 178.208 175.800 -0.078 0.000 1.120 85 F CA 2.219 60.227 58.000 0.014 0.000 1.205 85 F CB -1.206 37.903 39.000 0.181 0.000 0.986 85 F HN -0.042 nan 8.300 nan 0.000 0.470 86 V N -1.022 118.755 119.914 -0.227 0.000 2.332 86 V HA -0.298 3.818 4.120 -0.006 0.000 0.248 86 V C 2.435 178.217 176.094 -0.519 0.000 1.055 86 V CA 2.401 64.463 62.300 -0.397 0.000 1.038 86 V CB -1.442 30.291 31.823 -0.150 0.000 0.651 86 V HN 0.483 nan 8.190 nan 0.000 0.450 87 H N 0.096 118.806 119.070 -0.599 0.000 2.456 87 H HA -0.077 4.476 4.556 -0.006 0.000 0.296 87 H C 1.801 176.636 175.328 -0.821 0.000 1.079 87 H CA 2.181 57.619 56.048 -1.017 0.000 1.322 87 H CB -0.019 29.279 29.762 -0.774 0.000 1.388 87 H HN 0.658 nan 8.280 nan 0.000 0.538 88 H N -1.896 116.841 119.070 -0.556 0.000 2.652 88 H HA 0.103 4.656 4.556 -0.005 0.000 0.274 88 H C 2.030 177.133 175.328 -0.375 0.000 1.021 88 H CA -0.217 55.552 56.048 -0.466 0.000 1.187 88 H CB 0.224 29.642 29.762 -0.572 0.000 1.505 88 H HN 0.193 nan 8.280 nan 0.000 0.530 89 C N 0.963 120.075 119.300 -0.313 0.000 2.436 89 C HA -0.072 4.385 4.460 -0.006 0.000 0.277 89 C C -0.065 174.745 174.990 -0.299 0.000 1.241 89 C CA 0.798 59.622 59.018 -0.324 0.000 1.721 89 C CB -0.913 26.608 27.740 -0.366 0.000 2.043 89 C HN 0.465 nan 8.230 nan 0.000 0.472 90 P HA -0.115 nan 4.420 nan 0.000 0.216 90 P C 1.501 178.696 177.300 -0.174 0.000 1.153 90 P CA 2.097 65.117 63.100 -0.134 0.000 0.858 90 P CB -0.325 31.416 31.700 0.070 0.000 0.789 91 T N -0.356 114.103 114.554 -0.157 0.000 2.708 91 T HA -0.141 4.206 4.350 -0.006 0.000 0.266 91 T C 1.560 176.154 174.700 -0.178 0.000 1.037 91 T CA 1.260 63.273 62.100 -0.146 0.000 1.146 91 T CB -0.644 68.136 68.868 -0.147 0.000 0.865 91 T HN 0.182 nan 8.240 nan 0.000 0.435 92 E N 0.462 120.546 120.200 -0.194 0.000 2.152 92 E HA 0.062 4.408 4.350 -0.006 0.000 0.192 92 E C 2.064 178.532 176.600 -0.219 0.000 0.983 92 E CA 0.673 56.967 56.400 -0.178 0.000 0.818 92 E CB -0.261 29.372 29.700 -0.111 0.000 0.758 92 E HN 0.350 nan 8.360 nan 0.000 0.467 93 M N 0.232 119.577 119.600 -0.426 0.000 2.156 93 M HA -0.055 4.421 4.480 -0.006 0.000 0.264 93 M C 2.146 178.261 176.300 -0.308 0.000 1.067 93 M CA 1.363 56.270 55.300 -0.655 0.000 1.131 93 M CB -0.803 30.610 32.600 -1.978 0.000 1.368 93 M HN -0.044 nan 8.290 nan 0.000 0.416 94 T N -0.516 113.902 114.554 -0.226 0.000 2.652 94 T HA -0.212 4.134 4.350 -0.006 0.000 0.267 94 T C 1.731 176.410 174.700 -0.035 0.000 1.039 94 T CA 1.650 63.785 62.100 0.058 0.000 1.153 94 T CB -0.276 68.619 68.868 0.046 0.000 0.863 94 T HN 0.290 nan 8.240 nan 0.000 0.428 95 Q N 0.726 120.405 119.800 -0.201 0.000 2.181 95 Q HA -0.003 4.333 4.340 -0.006 0.000 0.205 95 Q C 2.035 177.701 176.000 -0.556 0.000 0.980 95 Q CA 1.375 56.896 55.803 -0.471 0.000 0.862 95 Q CB -0.757 27.609 28.738 -0.620 0.000 0.905 95 Q HN 0.525 nan 8.270 nan 0.000 0.429 96 L N 0.023 121.151 121.223 -0.158 0.000 2.093 96 L HA -0.153 4.183 4.340 -0.006 0.000 0.208 96 L C 2.537 179.525 176.870 0.196 0.000 1.085 96 L CA 1.398 56.309 54.840 0.118 0.000 0.755 96 L CB -0.399 41.852 42.059 0.319 0.000 0.904 96 L HN 0.321 nan 8.230 nan 0.000 0.435 97 E N 0.455 120.856 120.200 0.336 0.000 2.051 97 E HA -0.225 4.121 4.350 -0.006 0.000 0.192 97 E C 2.281 178.968 176.600 0.145 0.000 0.991 97 E CA 1.372 57.981 56.400 0.349 0.000 0.799 97 E CB -0.151 29.827 29.700 0.463 0.000 0.748 97 E HN 0.470 nan 8.360 nan 0.000 0.449 98 L N -0.512 120.727 121.223 0.027 0.000 2.081 98 L HA -0.196 4.140 4.340 -0.006 0.000 0.212 98 L C 2.262 179.190 176.870 0.097 0.000 1.080 98 L CA 1.055 55.885 54.840 -0.017 0.000 0.754 98 L CB -0.583 41.380 42.059 -0.161 0.000 0.893 98 L HN 0.272 nan 8.230 nan 0.000 0.433 99 W N -0.069 121.272 121.300 0.068 0.000 3.077 99 W HA 0.188 4.844 4.660 -0.006 0.000 0.245 99 W C 1.622 178.146 176.519 0.007 0.000 1.316 99 W CA 0.949 58.317 57.345 0.038 0.000 1.537 99 W CB -0.855 28.634 29.460 0.047 0.000 1.131 99 W HN 0.410 nan 8.180 nan 0.000 0.695 100 G N -0.531 108.382 108.800 0.188 0.000 2.253 100 G HA2 -0.278 3.679 3.960 -0.006 0.000 0.209 100 G HA3 -0.278 3.679 3.960 -0.006 0.000 0.209 100 G C 0.426 175.316 174.900 -0.017 0.000 0.997 100 G CA -0.328 44.820 45.100 0.081 0.000 0.640 100 G HN 0.156 nan 8.290 nan 0.000 0.496 101 C N 4.521 123.783 119.300 -0.062 0.000 2.334 101 C HA 0.407 4.863 4.460 -0.006 0.000 0.395 101 C C -1.005 173.729 174.990 -0.426 0.000 1.507 101 C CA 0.011 58.834 59.018 -0.325 0.000 1.494 101 C CB 0.115 27.518 27.740 -0.562 0.000 2.509 101 C HN 0.404 nan 8.230 nan 0.000 0.599 102 P HA 0.154 nan 4.420 nan 0.000 0.232 102 P C -0.804 176.294 177.300 -0.338 0.000 1.814 102 P CA -0.084 62.789 63.100 -0.378 0.000 1.085 102 P CB -0.344 31.085 31.700 -0.450 0.000 1.901 103 W N 1.161 122.396 121.300 -0.108 0.000 2.158 103 W HA 0.162 4.819 4.660 -0.007 0.000 0.339 103 W C 0.970 177.335 176.519 -0.257 0.000 1.294 103 W CA -0.130 57.130 57.345 -0.141 0.000 1.231 103 W CB 0.174 29.596 29.460 -0.064 0.000 1.143 103 W HN 0.157 nan 8.180 nan 0.000 0.571 104 S N 2.800 118.388 115.700 -0.186 0.000 2.568 104 S HA 0.274 4.741 4.470 -0.006 0.000 0.282 104 S C 0.325 174.759 174.600 -0.278 0.000 1.338 104 S CA -0.546 57.460 58.200 -0.323 0.000 1.045 104 S CB 0.325 63.118 63.200 -0.678 0.000 0.873 104 S HN 0.256 nan 8.310 nan 0.000 0.516 105 R N 1.317 121.729 120.500 -0.147 0.000 2.919 105 R HA 0.496 4.833 4.340 -0.006 0.000 0.260 105 R C -0.193 176.067 176.300 -0.067 0.000 1.067 105 R CA -0.865 55.167 56.100 -0.113 0.000 1.003 105 R CB 0.925 31.184 30.300 -0.068 0.000 1.192 105 R HN 0.571 nan 8.270 nan 0.000 0.488 106 R N 0.776 121.235 120.500 -0.068 0.000 2.532 106 R HA 0.223 4.560 4.340 -0.006 0.000 0.272 106 R C -1.525 174.758 176.300 -0.027 0.000 1.032 106 R CA -1.711 54.367 56.100 -0.036 0.000 1.089 106 R CB 0.436 30.703 30.300 -0.055 0.000 1.098 106 R HN 0.240 nan 8.270 nan 0.000 0.526 107 P HA -0.197 nan 4.420 nan 0.000 0.217 107 P C 0.424 177.713 177.300 -0.018 0.000 1.148 107 P CA 1.331 64.425 63.100 -0.010 0.000 0.828 107 P CB 0.089 31.787 31.700 -0.004 0.000 0.783 108 D N -1.697 118.688 120.400 -0.025 0.000 2.352 108 D HA 0.025 4.662 4.640 -0.006 0.000 0.232 108 D C 1.431 177.710 176.300 -0.034 0.000 1.055 108 D CA 0.756 54.740 54.000 -0.028 0.000 0.891 108 D CB -0.925 39.856 40.800 -0.031 0.000 0.897 108 D HN 0.250 nan 8.370 nan 0.000 0.529 109 G N 0.244 109.021 108.800 -0.039 0.000 2.199 109 G HA2 -0.307 3.650 3.960 -0.006 0.000 0.254 109 G HA3 -0.307 3.650 3.960 -0.006 0.000 0.254 109 G C 0.453 175.315 174.900 -0.064 0.000 0.982 109 G CA 0.502 45.577 45.100 -0.042 0.000 0.632 109 G HN 0.817 nan 8.290 nan 0.000 0.529 110 S N -0.266 115.383 115.700 -0.085 0.000 2.600 110 S HA 0.646 5.112 4.470 -0.006 0.000 0.265 110 S C 0.776 175.267 174.600 -0.182 0.000 1.325 110 S CA -0.089 58.032 58.200 -0.132 0.000 1.002 110 S CB 1.834 64.954 63.200 -0.134 0.000 0.921 110 S HN 1.836 nan 8.310 nan 0.000 0.554 111 V N 0.337 120.069 119.914 -0.302 0.000 2.649 111 V HA 0.454 4.570 4.120 -0.006 0.000 0.292 111 V C 0.436 176.283 176.094 -0.411 0.000 1.055 111 V CA -0.958 61.100 62.300 -0.402 0.000 1.023 111 V CB 0.461 31.860 31.823 -0.706 0.000 0.992 111 V HN 0.886 nan 8.190 nan 0.000 0.480 112 N N 1.954 120.456 118.700 -0.330 0.000 2.413 112 N HA 0.691 5.427 4.740 -0.006 0.000 0.266 112 N C -0.667 174.792 175.510 -0.084 0.000 1.238 112 N CA 0.154 53.113 53.050 -0.153 0.000 0.972 112 N CB 1.646 40.137 38.487 0.007 0.000 1.210 112 N HN 1.160 nan 8.380 nan 0.000 0.547 113 V N -1.718 118.309 119.914 0.188 0.000 3.048 113 V HA 0.726 4.842 4.120 -0.006 0.000 0.303 113 V C -0.823 175.435 176.094 0.273 0.000 1.214 113 V CA -1.050 61.411 62.300 0.269 0.000 0.984 113 V CB 1.788 33.632 31.823 0.035 0.000 1.054 113 V HN 0.877 nan 8.190 nan 0.000 0.430 114 R N 1.897 122.528 120.500 0.218 0.000 2.905 114 R HA 0.731 5.068 4.340 -0.006 0.000 0.260 114 R C -0.683 175.704 176.300 0.144 0.000 1.086 114 R CA -1.085 55.052 56.100 0.062 0.000 0.978 114 R CB 2.214 32.401 30.300 -0.188 0.000 1.215 114 R HN 0.868 nan 8.270 nan 0.000 0.480 115 R N 1.179 121.696 120.500 0.030 0.000 2.265 115 R HA 0.381 4.717 4.340 -0.006 0.000 0.314 115 R C -1.469 174.775 176.300 -0.094 0.000 1.053 115 R CA -0.087 56.025 56.100 0.020 0.000 0.931 115 R CB 0.549 30.824 30.300 -0.041 0.000 1.024 115 R HN 0.537 nan 8.270 nan 0.000 0.457 116 F N 0.907 120.868 119.950 0.018 0.000 2.643 116 F HA 0.383 4.907 4.527 -0.005 0.000 0.314 116 F C 0.926 176.748 175.800 0.036 0.000 1.096 116 F CA -0.096 57.922 58.000 0.030 0.000 0.953 116 F CB 2.332 41.363 39.000 0.052 0.000 1.345 116 F HN 0.745 nan 8.300 nan 0.000 0.468 117 G N 0.703 109.653 108.800 0.250 0.000 2.233 117 G HA2 0.039 3.996 3.960 -0.006 0.000 0.270 117 G HA3 0.039 3.996 3.960 -0.006 0.000 0.270 117 G C 1.112 176.063 174.900 0.085 0.000 1.011 117 G CA 0.881 46.069 45.100 0.146 0.000 0.762 117 G HN 2.108 nan 8.290 nan 0.000 0.511 118 G N -1.468 107.361 108.800 0.048 0.000 2.168 118 G HA2 -0.310 3.646 3.960 -0.006 0.000 0.263 118 G HA3 -0.310 3.646 3.960 -0.006 0.000 0.263 118 G C 0.577 175.501 174.900 0.039 0.000 0.977 118 G CA 1.029 46.144 45.100 0.025 0.000 0.659 118 G HN 1.185 nan 8.290 nan 0.000 0.533 119 M N -0.065 119.572 119.600 0.062 0.000 2.251 119 M HA 0.168 4.644 4.480 -0.006 0.000 0.343 119 M C 1.696 178.015 176.300 0.033 0.000 1.245 119 M CA 1.021 56.358 55.300 0.062 0.000 1.061 119 M CB 0.706 33.351 32.600 0.074 0.000 1.723 119 M HN 0.295 nan 8.290 nan 0.000 0.449 120 K N 2.993 123.402 120.400 0.016 0.000 2.057 120 K HA -0.035 4.281 4.320 -0.006 0.000 0.206 120 K C 0.126 176.723 176.600 -0.004 0.000 1.050 120 K CA 1.095 57.377 56.287 -0.008 0.000 0.935 120 K CB 0.342 32.810 32.500 -0.053 0.000 0.715 120 K HN 0.493 nan 8.250 nan 0.000 0.439 121 I N 3.649 124.208 120.570 -0.019 0.000 2.312 121 I HA 0.075 4.241 4.170 -0.006 0.000 0.290 121 I C -0.394 175.718 176.117 -0.009 0.000 1.008 121 I CA -1.272 60.013 61.300 -0.025 0.000 1.226 121 I CB 0.937 38.868 38.000 -0.114 0.000 1.371 121 I HN 0.292 nan 8.210 nan 0.000 0.468 122 E N 7.830 128.044 120.200 0.023 0.000 2.414 122 E HA 0.044 4.391 4.350 -0.006 0.000 0.263 122 E C 0.133 176.750 176.600 0.027 0.000 1.000 122 E CA -0.139 56.288 56.400 0.045 0.000 0.914 122 E CB 0.728 30.465 29.700 0.062 0.000 0.948 122 E HN 0.777 nan 8.360 nan 0.000 0.444 123 R N 0.216 120.753 120.500 0.062 0.000 2.471 123 R HA 0.160 4.496 4.340 -0.006 0.000 0.367 123 R C -0.740 175.681 176.300 0.202 0.000 0.799 123 R CA -0.513 55.630 56.100 0.072 0.000 1.055 123 R CB -0.294 29.973 30.300 -0.055 0.000 1.704 123 R HN 0.274 nan 8.270 nan 0.000 0.531 124 T N 1.975 116.677 114.554 0.247 0.000 2.728 124 T HA 0.259 4.605 4.350 -0.006 0.000 0.296 124 T C -0.879 174.104 174.700 0.472 0.000 0.940 124 T CA -0.169 62.113 62.100 0.304 0.000 1.013 124 T CB 0.334 69.371 68.868 0.281 0.000 0.912 124 T HN 0.118 nan 8.240 nan 0.000 0.484 125 W N 4.593 125.904 121.300 0.018 0.000 2.251 125 W HA 0.596 5.253 4.660 -0.005 0.000 0.329 125 W C -0.110 176.611 176.519 0.337 0.000 1.234 125 W CA -1.336 55.955 57.345 -0.090 0.000 1.228 125 W CB -0.029 28.910 29.460 -0.868 0.000 1.135 125 W HN 0.619 nan 8.180 nan 0.000 0.576 126 F N -0.574 119.688 119.950 0.520 0.000 2.654 126 F HA 0.762 5.285 4.527 -0.006 0.000 0.308 126 F C -0.731 175.409 175.800 0.565 0.000 1.108 126 F CA -2.081 56.256 58.000 0.562 0.000 0.957 126 F CB 1.103 40.296 39.000 0.322 0.000 1.309 126 F HN 0.366 nan 8.300 nan 0.000 0.446 127 A N 2.832 125.930 122.820 0.464 0.000 2.801 127 A HA 0.813 5.129 4.320 -0.006 0.000 0.344 127 A C 0.653 178.445 177.584 0.346 0.000 1.322 127 A CA -0.033 52.145 52.037 0.235 0.000 0.913 127 A CB -0.669 18.438 19.000 0.178 0.000 1.140 127 A HN 2.557 nan 8.150 nan 0.000 0.487 128 A N 1.808 124.864 122.820 0.392 0.000 5.821 128 A HA -0.211 4.105 4.320 -0.006 0.000 0.282 128 A C 0.717 178.555 177.584 0.423 0.000 2.032 128 A CA 1.370 53.647 52.037 0.400 0.000 0.715 128 A CB -1.262 17.884 19.000 0.243 0.000 1.178 128 A HN 1.554 nan 8.150 nan 0.000 0.370 129 D N -0.618 119.954 120.400 0.286 0.000 2.525 129 D HA 0.337 4.973 4.640 -0.006 0.000 0.229 129 D C 0.324 176.748 176.300 0.206 0.000 1.202 129 D CA 0.346 54.508 54.000 0.269 0.000 0.828 129 D CB 0.044 41.001 40.800 0.263 0.000 1.008 129 D HN 0.560 nan 8.370 nan 0.000 0.493 130 K N -0.071 120.416 120.400 0.144 0.000 2.726 130 K HA 0.170 4.486 4.320 -0.006 0.000 0.209 130 K C 0.771 177.473 176.600 0.171 0.000 1.082 130 K CA -0.102 56.197 56.287 0.019 0.000 1.081 130 K CB 0.669 33.052 32.500 -0.195 0.000 0.830 130 K HN -0.047 nan 8.250 nan 0.000 0.470 131 T N -0.316 114.371 114.554 0.222 0.000 2.684 131 T HA -0.162 4.184 4.350 -0.006 0.000 0.267 131 T C 1.960 176.753 174.700 0.156 0.000 1.036 131 T CA 1.821 64.056 62.100 0.226 0.000 1.148 131 T CB -0.194 68.844 68.868 0.283 0.000 0.863 131 T HN 0.529 nan 8.240 nan 0.000 0.436 132 G N 0.649 109.530 108.800 0.135 0.000 2.422 132 G HA2 -0.193 3.764 3.960 -0.006 0.000 0.218 132 G HA3 -0.193 3.764 3.960 -0.006 0.000 0.218 132 G C 1.354 176.315 174.900 0.102 0.000 1.146 132 G CA 0.575 45.735 45.100 0.100 0.000 0.769 132 G HN 0.492 nan 8.290 nan 0.000 0.547 133 F N 0.990 120.902 119.950 -0.062 0.000 2.102 133 F HA -0.083 4.440 4.527 -0.005 0.000 0.298 133 F C 2.644 178.390 175.800 -0.089 0.000 1.105 133 F CA 1.869 59.801 58.000 -0.113 0.000 1.239 133 F CB -0.186 38.603 39.000 -0.352 0.000 0.991 133 F HN 0.168 nan 8.300 nan 0.000 0.474 134 H N -0.269 118.806 119.070 0.008 0.000 2.428 134 H HA -0.032 4.520 4.556 -0.006 0.000 0.296 134 H C 2.300 177.513 175.328 -0.192 0.000 1.062 134 H CA 1.772 57.720 56.048 -0.166 0.000 1.350 134 H CB -0.335 29.360 29.762 -0.112 0.000 1.403 134 H HN 0.373 nan 8.280 nan 0.000 0.533 135 M N -0.441 119.148 119.600 -0.019 0.000 2.098 135 M HA -0.112 4.364 4.480 -0.006 0.000 0.262 135 M C 2.399 178.714 176.300 0.024 0.000 1.072 135 M CA 0.891 56.182 55.300 -0.016 0.000 1.133 135 M CB -0.228 32.398 32.600 0.044 0.000 1.344 135 M HN 0.112 nan 8.290 nan 0.000 0.414 136 L N 0.152 121.383 121.223 0.012 0.000 1.990 136 L HA -0.268 4.068 4.340 -0.006 0.000 0.213 136 L C 2.485 179.330 176.870 -0.042 0.000 1.072 136 L CA 2.038 56.872 54.840 -0.009 0.000 0.755 136 L CB -0.915 41.124 42.059 -0.034 0.000 0.889 136 L HN 0.320 nan 8.230 nan 0.000 0.432 137 H N -1.410 117.538 119.070 -0.203 0.000 2.321 137 H HA -0.136 4.417 4.556 -0.005 0.000 0.300 137 H C 2.058 177.358 175.328 -0.047 0.000 1.087 137 H CA 1.880 57.832 56.048 -0.160 0.000 1.319 137 H CB -0.304 29.186 29.762 -0.452 0.000 1.379 137 H HN 0.399 nan 8.280 nan 0.000 0.501 138 T N 1.829 116.417 114.554 0.058 0.000 2.624 138 T HA -0.178 4.168 4.350 -0.006 0.000 0.268 138 T C 2.396 177.117 174.700 0.035 0.000 1.041 138 T CA 1.156 63.288 62.100 0.053 0.000 1.159 138 T CB -0.471 68.435 68.868 0.064 0.000 0.863 138 T HN 0.171 nan 8.240 nan 0.000 0.434 139 L N -0.328 120.930 121.223 0.059 0.000 1.970 139 L HA -0.094 4.243 4.340 -0.006 0.000 0.212 139 L C 2.311 179.150 176.870 -0.051 0.000 1.071 139 L CA 1.728 56.578 54.840 0.017 0.000 0.751 139 L CB -0.644 41.462 42.059 0.077 0.000 0.889 139 L HN 0.222 nan 8.230 nan 0.000 0.432 140 F N 0.961 120.841 119.950 -0.116 0.000 2.043 140 F HA -0.339 4.184 4.527 -0.007 0.000 0.297 140 F C 2.666 178.399 175.800 -0.112 0.000 1.118 140 F CA 2.026 59.950 58.000 -0.128 0.000 1.202 140 F CB -0.530 38.351 39.000 -0.198 0.000 0.965 140 F HN 0.077 nan 8.300 nan 0.000 0.482 141 Q N -0.679 118.913 119.800 -0.345 0.000 2.096 141 Q HA -0.183 4.153 4.340 -0.006 0.000 0.204 141 Q C 2.143 177.938 176.000 -0.342 0.000 0.982 141 Q CA 2.389 57.971 55.803 -0.369 0.000 0.850 141 Q CB -0.465 28.205 28.738 -0.113 0.000 0.901 141 Q HN 0.433 nan 8.270 nan 0.000 0.422 142 T N 0.389 114.766 114.554 -0.296 0.000 2.746 142 T HA -0.175 4.171 4.350 -0.006 0.000 0.267 142 T C 2.003 176.518 174.700 -0.308 0.000 1.039 142 T CA 1.509 63.385 62.100 -0.374 0.000 1.142 142 T CB -0.357 68.131 68.868 -0.633 0.000 0.866 142 T HN 0.480 nan 8.240 nan 0.000 0.444 143 S N 1.867 117.415 115.700 -0.254 0.000 2.442 143 S HA -0.002 4.465 4.470 -0.006 0.000 0.236 143 S C 2.011 176.552 174.600 -0.098 0.000 1.007 143 S CA 0.625 58.792 58.200 -0.054 0.000 0.965 143 S CB -0.893 62.224 63.200 -0.137 0.000 0.773 143 S HN 0.465 nan 8.310 nan 0.000 0.504 144 L N 1.605 122.643 121.223 -0.308 0.000 2.261 144 L HA -0.157 4.180 4.340 -0.006 0.000 0.216 144 L C 2.891 179.631 176.870 -0.217 0.000 1.114 144 L CA 1.645 56.314 54.840 -0.284 0.000 0.777 144 L CB -0.693 41.157 42.059 -0.349 0.000 0.910 144 L HN 0.669 nan 8.230 nan 0.000 0.440 145 Q N -0.539 119.077 119.800 -0.306 0.000 2.444 145 Q HA -0.036 4.301 4.340 -0.006 0.000 0.206 145 Q C -0.107 175.609 176.000 -0.474 0.000 0.948 145 Q CA 0.278 55.831 55.803 -0.418 0.000 0.946 145 Q CB 0.003 28.388 28.738 -0.588 0.000 1.027 145 Q HN 0.289 nan 8.270 nan 0.000 0.513 146 F N 2.812 122.677 119.950 -0.143 0.000 2.332 146 F HA 0.336 4.860 4.527 -0.005 0.000 0.368 146 F C -1.554 174.195 175.800 -0.085 0.000 1.110 146 F CA -2.710 55.227 58.000 -0.105 0.000 1.087 146 F CB 1.504 40.437 39.000 -0.113 0.000 1.235 146 F HN -0.057 nan 8.300 nan 0.000 0.470 147 P HA -0.181 nan 4.420 nan 0.000 0.222 147 P C 0.826 178.152 177.300 0.044 0.000 1.147 147 P CA 1.184 64.304 63.100 0.032 0.000 0.790 147 P CB 0.364 32.070 31.700 0.010 0.000 0.780 148 Q N 0.229 120.071 119.800 0.070 0.000 2.170 148 Q HA -0.017 4.320 4.340 -0.006 0.000 0.203 148 Q C 1.111 177.125 176.000 0.023 0.000 0.976 148 Q CA 0.789 56.616 55.803 0.041 0.000 0.858 148 Q CB -0.813 27.943 28.738 0.029 0.000 0.907 148 Q HN 0.369 nan 8.270 nan 0.000 0.433 149 I N 1.550 122.137 120.570 0.027 0.000 2.363 149 I HA 0.063 4.229 4.170 -0.006 0.000 0.292 149 I C -0.054 176.066 176.117 0.005 0.000 1.075 149 I CA -0.574 60.731 61.300 0.009 0.000 1.333 149 I CB 0.584 38.583 38.000 -0.002 0.000 1.415 149 I HN 0.004 nan 8.210 nan 0.000 0.502 150 Q N 7.553 127.358 119.800 0.009 0.000 2.348 150 Q HA 0.401 4.737 4.340 -0.006 0.000 0.265 150 Q C -0.876 175.100 176.000 -0.041 0.000 0.998 150 Q CA -0.450 55.324 55.803 -0.047 0.000 0.831 150 Q CB 1.049 29.752 28.738 -0.058 0.000 1.251 150 Q HN 0.472 nan 8.270 nan 0.000 0.456 151 R N 3.019 123.462 120.500 -0.095 0.000 2.457 151 R HA 0.409 4.746 4.340 -0.006 0.000 0.284 151 R C -0.704 175.441 176.300 -0.258 0.000 1.024 151 R CA -0.379 55.700 56.100 -0.035 0.000 1.025 151 R CB 0.844 31.169 30.300 0.041 0.000 1.063 151 R HN 0.564 nan 8.270 nan 0.000 0.493 152 F N 1.583 121.416 119.950 -0.195 0.000 2.449 152 F HA 0.193 4.720 4.527 -0.000 0.000 0.344 152 F C -0.239 175.517 175.800 -0.074 0.000 1.180 152 F CA -0.953 56.822 58.000 -0.375 0.000 1.209 152 F CB 0.602 39.154 39.000 -0.748 0.000 1.440 152 F HN 0.259 nan 8.300 nan 0.000 0.526 153 D N 2.434 122.888 120.400 0.090 0.000 2.424 153 D HA 0.027 4.664 4.640 -0.006 0.000 0.244 153 D C 0.575 176.896 176.300 0.034 0.000 1.134 153 D CA 0.457 54.443 54.000 -0.024 0.000 0.881 153 D CB 0.543 41.214 40.800 -0.216 0.000 1.191 153 D HN 0.540 nan 8.370 nan 0.000 0.445 154 E N 0.696 120.845 120.200 -0.085 0.000 2.252 154 E HA -0.266 4.081 4.350 -0.006 0.000 0.218 154 E C -0.723 175.875 176.600 -0.003 0.000 1.253 154 E CA 0.569 56.949 56.400 -0.034 0.000 0.705 154 E CB -1.463 28.213 29.700 -0.041 0.000 1.172 154 E HN 0.475 nan 8.360 nan 0.000 0.369 155 H N -0.217 118.867 119.070 0.022 0.000 2.539 155 H HA 0.391 4.943 4.556 -0.006 0.000 0.332 155 H C -0.899 174.455 175.328 0.043 0.000 1.031 155 H CA -0.593 55.489 56.048 0.056 0.000 1.206 155 H CB 0.742 30.549 29.762 0.076 0.000 1.446 155 H HN 0.220 nan 8.280 nan 0.000 0.496 156 F N 5.016 124.944 119.950 -0.037 0.000 2.334 156 F HA 0.296 4.819 4.527 -0.007 0.000 0.365 156 F C -0.448 175.341 175.800 -0.017 0.000 1.124 156 F CA -0.765 57.210 58.000 -0.042 0.000 1.166 156 F CB 0.258 39.201 39.000 -0.095 0.000 1.355 156 F HN 0.265 nan 8.300 nan 0.000 0.532 157 V N 8.076 127.878 119.914 -0.185 0.000 2.493 157 V HA -0.134 3.982 4.120 -0.006 0.000 0.292 157 V C 1.108 177.188 176.094 -0.023 0.000 1.016 157 V CA 0.689 62.929 62.300 -0.101 0.000 1.097 157 V CB 0.682 32.406 31.823 -0.165 0.000 0.947 157 V HN 0.866 nan 8.190 nan 0.000 0.479 158 L N 2.755 124.049 121.223 0.118 0.000 2.253 158 L HA 0.329 4.666 4.340 -0.006 0.000 0.205 158 L C 0.687 177.643 176.870 0.143 0.000 1.078 158 L CA 0.805 55.764 54.840 0.198 0.000 0.805 158 L CB 0.185 42.352 42.059 0.179 0.000 0.963 158 L HN 0.684 nan 8.230 nan 0.000 0.459 159 D N -1.342 119.112 120.400 0.089 0.000 2.653 159 D HA 0.330 4.966 4.640 -0.006 0.000 0.258 159 D C -1.166 175.165 176.300 0.052 0.000 1.252 159 D CA -0.569 53.496 54.000 0.108 0.000 0.777 159 D CB 1.759 42.653 40.800 0.156 0.000 1.339 159 D HN 0.015 nan 8.370 nan 0.000 0.422 160 I N -1.458 119.134 120.570 0.038 0.000 2.783 160 I HA 0.577 4.743 4.170 -0.006 0.000 0.312 160 I C -0.556 175.491 176.117 -0.117 0.000 0.988 160 I CA -0.876 60.364 61.300 -0.101 0.000 1.182 160 I CB 1.224 39.085 38.000 -0.233 0.000 1.368 160 I HN 0.206 nan 8.210 nan 0.000 0.511 161 L N 4.328 125.482 121.223 -0.114 0.000 2.298 161 L HA 0.608 4.944 4.340 -0.006 0.000 0.284 161 L C -0.743 176.068 176.870 -0.098 0.000 1.013 161 L CA -0.768 54.037 54.840 -0.058 0.000 0.824 161 L CB 1.595 43.648 42.059 -0.011 0.000 1.221 161 L HN 0.408 nan 8.230 nan 0.000 0.418 162 V N 1.715 121.579 119.914 -0.082 0.000 2.656 162 V HA 0.567 4.684 4.120 -0.006 0.000 0.307 162 V C -1.116 174.993 176.094 0.025 0.000 1.051 162 V CA -0.467 61.799 62.300 -0.057 0.000 0.893 162 V CB 2.419 34.174 31.823 -0.113 0.000 0.999 162 V HN 0.709 nan 8.190 nan 0.000 0.426 163 D N 2.465 122.886 120.400 0.035 0.000 2.977 163 D HA 0.378 5.014 4.640 -0.006 0.000 0.220 163 D C -0.379 175.950 176.300 0.048 0.000 1.267 163 D CA -0.147 53.877 54.000 0.041 0.000 0.884 163 D CB 1.690 42.509 40.800 0.032 0.000 1.667 163 D HN 0.631 nan 8.370 nan 0.000 0.536 164 D N 3.263 123.686 120.400 0.038 0.000 2.708 164 D HA -0.141 4.495 4.640 -0.006 0.000 0.236 164 D C 0.939 177.268 176.300 0.050 0.000 1.146 164 D CA 2.425 56.447 54.000 0.036 0.000 0.662 164 D CB -1.121 39.695 40.800 0.026 0.000 1.059 164 D HN 1.031 nan 8.370 nan 0.000 0.428 165 G N -0.095 108.730 108.800 0.041 0.000 2.153 165 G HA2 -0.329 3.627 3.960 -0.006 0.000 0.252 165 G HA3 -0.329 3.627 3.960 -0.006 0.000 0.252 165 G C 0.059 174.981 174.900 0.036 0.000 0.994 165 G CA 0.595 45.711 45.100 0.026 0.000 0.698 165 G HN 0.851 nan 8.290 nan 0.000 0.521 166 H N -0.876 118.172 119.070 -0.036 0.000 2.679 166 H HA 0.564 5.118 4.556 -0.002 0.000 0.360 166 H C -0.314 174.983 175.328 -0.052 0.000 1.105 166 H CA -0.192 55.831 56.048 -0.042 0.000 1.196 166 H CB 2.125 31.872 29.762 -0.025 0.000 1.636 166 H HN 0.243 nan 8.280 nan 0.000 0.531 167 V N 5.200 125.001 119.914 -0.188 0.000 2.775 167 V HA 0.241 4.357 4.120 -0.006 0.000 0.299 167 V C 0.396 176.573 176.094 0.138 0.000 1.062 167 V CA 0.007 62.271 62.300 -0.061 0.000 1.063 167 V CB 0.753 32.483 31.823 -0.154 0.000 0.994 167 V HN 0.767 nan 8.190 nan 0.000 0.483 168 R N 4.032 124.570 120.500 0.064 0.000 2.549 168 R HA 0.431 4.768 4.340 -0.006 0.000 0.361 168 R C 0.337 176.652 176.300 0.026 0.000 0.969 168 R CA 0.601 56.743 56.100 0.071 0.000 1.158 168 R CB 0.709 31.040 30.300 0.052 0.000 1.456 168 R HN 1.060 nan 8.270 nan 0.000 0.540 169 G N 0.877 109.675 108.800 -0.003 0.000 2.302 169 G HA2 0.177 4.133 3.960 -0.006 0.000 0.264 169 G HA3 0.177 4.133 3.960 -0.006 0.000 0.264 169 G C -1.951 172.923 174.900 -0.043 0.000 1.335 169 G CA -0.464 44.624 45.100 -0.020 0.000 0.982 169 G HN 0.108 nan 8.290 nan 0.000 0.473 170 L N -3.446 117.752 121.223 -0.042 0.000 2.775 170 L HA 0.918 5.254 4.340 -0.006 0.000 0.263 170 L C -0.824 176.033 176.870 -0.022 0.000 1.017 170 L CA -1.228 53.587 54.840 -0.042 0.000 0.891 170 L CB 1.505 43.520 42.059 -0.073 0.000 1.482 170 L HN 0.850 nan 8.230 nan 0.000 0.410 171 V N 0.815 120.730 119.914 0.003 0.000 2.459 171 V HA 0.977 5.093 4.120 -0.006 0.000 0.295 171 V C 0.249 176.365 176.094 0.036 0.000 1.029 171 V CA 0.262 62.579 62.300 0.029 0.000 0.874 171 V CB 1.131 32.984 31.823 0.050 0.000 0.985 171 V HN 1.197 nan 8.190 nan 0.000 0.438 172 A N 5.105 127.957 122.820 0.054 0.000 2.479 172 A HA 0.920 5.236 4.320 -0.006 0.000 0.296 172 A C -0.823 176.839 177.584 0.130 0.000 1.121 172 A CA -0.744 51.348 52.037 0.091 0.000 0.743 172 A CB 2.068 21.109 19.000 0.067 0.000 1.323 172 A HN 0.795 nan 8.150 nan 0.000 0.415 173 M N 2.245 121.923 119.600 0.131 0.000 2.167 173 M HA 0.252 4.728 4.480 -0.006 0.000 0.333 173 M C -0.562 175.676 176.300 -0.104 0.000 1.030 173 M CA -0.651 54.675 55.300 0.043 0.000 0.963 173 M CB 0.839 33.440 32.600 0.001 0.000 1.589 173 M HN 0.833 nan 8.290 nan 0.000 0.431 174 N N 5.275 123.867 118.700 -0.181 0.000 2.416 174 N HA 0.052 4.788 4.740 -0.006 0.000 0.271 174 N C 0.575 175.916 175.510 -0.281 0.000 1.245 174 N CA 0.338 53.073 53.050 -0.525 0.000 0.940 174 N CB 0.597 38.994 38.487 -0.150 0.000 1.175 174 N HN 0.853 nan 8.380 nan 0.000 0.483 175 M N 2.806 122.231 119.600 -0.292 0.000 2.159 175 M HA -0.203 4.274 4.480 -0.006 0.000 0.263 175 M C 1.799 178.080 176.300 -0.033 0.000 1.063 175 M CA 1.623 56.801 55.300 -0.203 0.000 1.110 175 M CB -0.116 32.324 32.600 -0.267 0.000 1.374 175 M HN 0.526 nan 8.290 nan 0.000 0.411 176 M N 0.185 119.828 119.600 0.072 0.000 2.193 176 M HA -0.096 4.380 4.480 -0.006 0.000 0.265 176 M C 1.927 178.268 176.300 0.068 0.000 1.071 176 M CA 1.659 57.055 55.300 0.161 0.000 1.140 176 M CB -0.098 32.580 32.600 0.130 0.000 1.369 176 M HN 0.015 nan 8.290 nan 0.000 0.423 177 E N -0.476 119.739 120.200 0.024 0.000 2.107 177 E HA 0.054 4.401 4.350 -0.006 0.000 0.191 177 E C 1.506 178.105 176.600 -0.002 0.000 0.982 177 E CA 1.144 57.556 56.400 0.020 0.000 0.809 177 E CB -0.430 29.291 29.700 0.035 0.000 0.756 177 E HN 0.651 nan 8.360 nan 0.000 0.459 178 G N 1.812 110.591 108.800 -0.035 0.000 2.143 178 G HA2 -0.269 3.688 3.960 -0.006 0.000 0.249 178 G HA3 -0.269 3.688 3.960 -0.006 0.000 0.249 178 G C 0.512 175.394 174.900 -0.031 0.000 0.981 178 G CA 0.805 45.872 45.100 -0.055 0.000 0.665 178 G HN 0.411 nan 8.290 nan 0.000 0.528 179 T N -0.927 113.625 114.554 -0.004 0.000 2.902 179 T HA 0.746 5.093 4.350 -0.006 0.000 0.283 179 T C 0.449 175.179 174.700 0.050 0.000 1.009 179 T CA -0.947 61.170 62.100 0.029 0.000 1.051 179 T CB 2.299 71.203 68.868 0.060 0.000 0.999 179 T HN 0.433 nan 8.240 nan 0.000 0.474 180 L N 2.032 123.291 121.223 0.060 0.000 2.375 180 L HA 0.701 5.038 4.340 -0.006 0.000 0.271 180 L C -0.385 176.562 176.870 0.128 0.000 1.107 180 L CA -0.974 53.914 54.840 0.079 0.000 0.806 180 L CB 1.383 43.475 42.059 0.056 0.000 1.146 180 L HN 0.490 nan 8.230 nan 0.000 0.447 181 V N 1.802 121.809 119.914 0.156 0.000 3.007 181 V HA 0.341 4.457 4.120 -0.006 0.000 0.311 181 V C -0.735 175.453 176.094 0.155 0.000 1.120 181 V CA -0.734 61.699 62.300 0.222 0.000 0.980 181 V CB 2.321 34.355 31.823 0.352 0.000 1.033 181 V HN 0.700 nan 8.190 nan 0.000 0.429 182 Q N 2.739 122.644 119.800 0.175 0.000 2.333 182 Q HA 0.642 4.979 4.340 -0.006 0.000 0.265 182 Q C -1.367 174.713 176.000 0.133 0.000 0.989 182 Q CA -0.393 55.473 55.803 0.105 0.000 0.842 182 Q CB 2.388 31.168 28.738 0.070 0.000 1.262 182 Q HN 0.599 nan 8.270 nan 0.000 0.451 183 I N 3.219 123.807 120.570 0.030 0.000 2.362 183 I HA 0.387 4.554 4.170 -0.006 0.000 0.289 183 I C -0.178 175.940 176.117 0.002 0.000 0.994 183 I CA -0.699 60.599 61.300 -0.003 0.000 1.158 183 I CB 1.158 39.028 38.000 -0.216 0.000 1.315 183 I HN 0.320 nan 8.210 nan 0.000 0.451 184 R N 5.098 125.620 120.500 0.038 0.000 2.265 184 R HA 0.835 5.172 4.340 -0.006 0.000 0.319 184 R C -0.783 175.530 176.300 0.023 0.000 1.006 184 R CA -0.485 55.631 56.100 0.026 0.000 0.880 184 R CB 1.944 32.263 30.300 0.032 0.000 1.077 184 R HN 0.759 nan 8.270 nan 0.000 0.454 185 A N 2.349 125.181 122.820 0.020 0.000 2.604 185 A HA 0.309 4.625 4.320 -0.006 0.000 0.295 185 A C -0.363 177.256 177.584 0.058 0.000 1.067 185 A CA -0.771 51.283 52.037 0.027 0.000 0.683 185 A CB 1.374 20.377 19.000 0.004 0.000 1.281 185 A HN 0.640 nan 8.150 nan 0.000 0.407 186 N N 0.230 118.980 118.700 0.084 0.000 2.322 186 N HA 0.367 5.104 4.740 -0.006 0.000 0.194 186 N C -0.048 175.588 175.510 0.210 0.000 1.126 186 N CA 1.125 54.284 53.050 0.181 0.000 0.845 186 N CB 0.869 39.445 38.487 0.148 0.000 0.976 186 N HN 0.949 nan 8.380 nan 0.000 0.475 187 A N -0.069 122.818 122.820 0.111 0.000 2.459 187 A HA 0.621 4.937 4.320 -0.006 0.000 0.296 187 A C -1.158 176.462 177.584 0.060 0.000 1.039 187 A CA -0.468 51.640 52.037 0.118 0.000 0.698 187 A CB 1.535 20.580 19.000 0.075 0.000 1.261 187 A HN -0.105 nan 8.150 nan 0.000 0.405 188 V N 2.546 122.516 119.914 0.093 0.000 2.577 188 V HA 0.491 4.608 4.120 -0.006 0.000 0.303 188 V C -0.564 175.585 176.094 0.091 0.000 1.042 188 V CA -0.560 61.761 62.300 0.034 0.000 0.872 188 V CB 1.879 33.691 31.823 -0.019 0.000 0.998 188 V HN 0.742 nan 8.190 nan 0.000 0.423 189 V N 5.615 125.543 119.914 0.024 0.000 2.370 189 V HA 0.443 4.559 4.120 -0.006 0.000 0.283 189 V C 0.138 176.232 176.094 -0.001 0.000 1.023 189 V CA -0.566 61.758 62.300 0.039 0.000 0.857 189 V CB 1.622 33.425 31.823 -0.032 0.000 0.985 189 V HN 0.724 nan 8.190 nan 0.000 0.443 190 M N 4.462 124.064 119.600 0.004 0.000 2.108 190 M HA 0.439 4.915 4.480 -0.006 0.000 0.347 190 M C 0.310 176.592 176.300 -0.030 0.000 1.326 190 M CA 0.022 55.300 55.300 -0.038 0.000 1.126 190 M CB 0.838 33.403 32.600 -0.057 0.000 1.606 190 M HN 0.757 nan 8.290 nan 0.000 0.462 191 A N 2.673 125.469 122.820 -0.039 0.000 2.959 191 A HA 0.330 4.647 4.320 -0.006 0.000 0.280 191 A C 1.012 178.573 177.584 -0.039 0.000 0.953 191 A CA -0.417 51.606 52.037 -0.023 0.000 1.047 191 A CB -0.366 18.631 19.000 -0.006 0.000 1.147 191 A HN 0.787 nan 8.150 nan 0.000 0.489 192 T N -3.155 111.358 114.554 -0.068 0.000 3.129 192 T HA 0.462 4.809 4.350 -0.006 0.000 0.251 192 T C 1.142 175.798 174.700 -0.074 0.000 1.117 192 T CA 0.845 62.891 62.100 -0.089 0.000 1.034 192 T CB -0.123 68.661 68.868 -0.140 0.000 0.968 192 T HN 2.066 nan 8.240 nan 0.000 0.526 193 G N -0.122 108.645 108.800 -0.055 0.000 2.685 193 G HA2 0.293 4.249 3.960 -0.006 0.000 0.387 193 G HA3 0.293 4.249 3.960 -0.006 0.000 0.387 193 G C 0.066 174.904 174.900 -0.104 0.000 1.324 193 G CA -0.556 44.512 45.100 -0.052 0.000 0.878 193 G HN 0.763 nan 8.290 nan 0.000 0.527 194 G N -1.470 107.246 108.800 -0.140 0.000 2.494 194 G HA2 0.694 4.650 3.960 -0.006 0.000 0.270 194 G HA3 0.694 4.650 3.960 -0.006 0.000 0.270 194 G C 0.845 175.650 174.900 -0.158 0.000 1.423 194 G CA 0.871 45.849 45.100 -0.203 0.000 1.055 194 G HN 2.149 nan 8.290 nan 0.000 0.536 195 A N -1.247 121.480 122.820 -0.154 0.000 2.594 195 A HA 0.539 4.855 4.320 -0.006 0.000 0.292 195 A C 1.702 179.255 177.584 -0.051 0.000 1.026 195 A CA 0.879 52.862 52.037 -0.090 0.000 0.983 195 A CB 0.154 19.115 19.000 -0.064 0.000 1.233 195 A HN 1.077 nan 8.150 nan 0.000 0.519 196 G N 0.091 108.830 108.800 -0.102 0.000 2.498 196 G HA2 -0.167 3.790 3.960 -0.006 0.000 0.219 196 G HA3 -0.167 3.790 3.960 -0.006 0.000 0.219 196 G C 1.302 176.202 174.900 0.000 0.000 1.119 196 G CA 0.322 45.378 45.100 -0.074 0.000 0.766 196 G HN 0.418 nan 8.290 nan 0.000 0.552 197 R N 0.415 120.895 120.500 -0.033 0.000 2.323 197 R HA 0.021 4.357 4.340 -0.006 0.000 0.198 197 R C 2.195 178.490 176.300 -0.008 0.000 0.988 197 R CA 0.713 56.798 56.100 -0.026 0.000 1.041 197 R CB -0.071 30.202 30.300 -0.044 0.000 0.926 197 R HN 0.503 nan 8.270 nan 0.000 0.476 198 V N -3.140 116.784 119.914 0.017 0.000 3.623 198 V HA 0.093 4.210 4.120 -0.006 0.000 0.271 198 V C 0.384 176.367 176.094 -0.185 0.000 1.248 198 V CA 0.181 62.434 62.300 -0.078 0.000 1.156 198 V CB -0.776 30.978 31.823 -0.115 0.000 0.870 198 V HN -0.069 nan 8.190 nan 0.000 0.453 199 Y N 0.587 120.818 120.300 -0.115 0.000 2.323 199 Y HA 0.571 5.117 4.550 -0.006 0.000 0.331 199 Y C 1.700 177.493 175.900 -0.179 0.000 1.092 199 Y CA -0.744 57.280 58.100 -0.126 0.000 1.150 199 Y CB 1.191 39.568 38.460 -0.137 0.000 1.200 199 Y HN -0.153 nan 8.280 nan 0.000 0.472 200 R N 2.150 122.565 120.500 -0.141 0.000 2.094 200 R HA -0.174 4.162 4.340 -0.006 0.000 0.239 200 R C -0.743 175.255 176.300 -0.504 0.000 1.137 200 R CA 1.679 57.529 56.100 -0.417 0.000 0.943 200 R CB -0.391 29.498 30.300 -0.685 0.000 0.850 200 R HN 0.708 nan 8.270 nan 0.000 0.433 201 Y N 0.727 121.051 120.300 0.040 0.000 2.334 201 Y HA 0.270 4.816 4.550 -0.006 0.000 0.336 201 Y C 0.064 175.933 175.900 -0.052 0.000 0.960 201 Y CA -1.095 57.001 58.100 -0.007 0.000 1.164 201 Y CB 1.086 39.540 38.460 -0.010 0.000 1.155 201 Y HN 0.220 nan 8.280 nan 0.000 0.478 202 N N -1.940 116.797 118.700 0.061 0.000 2.853 202 N HA 0.366 5.102 4.740 -0.006 0.000 0.258 202 N C 0.008 175.511 175.510 -0.011 0.000 1.444 202 N CA -0.775 52.257 53.050 -0.031 0.000 0.837 202 N CB 1.110 39.554 38.487 -0.071 0.000 1.489 202 N HN 0.291 nan 8.380 nan 0.000 0.529 203 T N -3.749 110.809 114.554 0.008 0.000 3.086 203 T HA 0.248 4.594 4.350 -0.006 0.000 0.250 203 T C -0.143 174.601 174.700 0.073 0.000 1.074 203 T CA -0.188 61.950 62.100 0.064 0.000 0.988 203 T CB -1.083 67.901 68.868 0.193 0.000 0.988 203 T HN 0.513 nan 8.240 nan 0.000 0.530 204 N N 0.752 119.403 118.700 -0.081 0.000 2.463 204 N HA 0.503 5.240 4.740 -0.006 0.000 0.270 204 N C 0.319 175.704 175.510 -0.208 0.000 1.205 204 N CA -0.907 51.932 53.050 -0.350 0.000 0.974 204 N CB 0.668 38.905 38.487 -0.417 0.000 1.197 204 N HN 0.340 nan 8.380 nan 0.000 0.504 205 G N -0.935 107.699 108.800 -0.276 0.000 2.503 205 G HA2 0.244 4.200 3.960 -0.006 0.000 0.257 205 G HA3 0.244 4.200 3.960 -0.006 0.000 0.257 205 G C 1.091 175.952 174.900 -0.066 0.000 1.214 205 G CA -0.567 44.522 45.100 -0.018 0.000 0.839 205 G HN 0.618 nan 8.290 nan 0.000 0.559 206 G N 0.919 109.706 108.800 -0.023 0.000 2.517 206 G HA2 -0.279 3.677 3.960 -0.006 0.000 0.222 206 G HA3 -0.279 3.677 3.960 -0.006 0.000 0.222 206 G C 1.535 176.414 174.900 -0.035 0.000 1.109 206 G CA 1.267 46.341 45.100 -0.043 0.000 0.746 206 G HN 0.948 nan 8.290 nan 0.000 0.576 207 I N -1.170 119.400 120.570 -0.001 0.000 3.564 207 I HA 0.222 4.389 4.170 -0.006 0.000 0.294 207 I C 0.226 176.331 176.117 -0.020 0.000 1.289 207 I CA -0.027 61.284 61.300 0.019 0.000 1.325 207 I CB 0.143 38.174 38.000 0.051 0.000 1.039 207 I HN -0.154 nan 8.210 nan 0.000 0.474 208 V N 3.290 123.162 119.914 -0.071 0.000 2.096 208 V HA 0.066 4.183 4.120 -0.006 0.000 0.259 208 V C 1.485 177.531 176.094 -0.080 0.000 1.420 208 V CA 0.720 62.956 62.300 -0.107 0.000 1.336 208 V CB -0.530 31.159 31.823 -0.223 0.000 1.394 208 V HN 0.583 nan 8.190 nan 0.000 0.494 209 T N -2.116 112.414 114.554 -0.041 0.000 3.069 209 T HA 0.294 4.640 4.350 -0.006 0.000 0.252 209 T C 1.502 176.197 174.700 -0.009 0.000 1.053 209 T CA 0.491 62.589 62.100 -0.004 0.000 0.964 209 T CB 0.557 69.461 68.868 0.061 0.000 1.005 209 T HN 0.997 nan 8.240 nan 0.000 0.532 210 G N 1.852 110.617 108.800 -0.058 0.000 2.136 210 G HA2 -0.265 3.692 3.960 -0.006 0.000 0.242 210 G HA3 -0.265 3.692 3.960 -0.006 0.000 0.242 210 G C 0.368 175.186 174.900 -0.137 0.000 0.989 210 G CA 0.247 45.299 45.100 -0.080 0.000 0.682 210 G HN 0.488 nan 8.290 nan 0.000 0.522 211 D N 0.636 120.920 120.400 -0.193 0.000 2.108 211 D HA -0.102 4.535 4.640 -0.006 0.000 0.190 211 D C 2.558 178.540 176.300 -0.529 0.000 0.995 211 D CA 2.120 55.828 54.000 -0.486 0.000 0.834 211 D CB -0.987 39.582 40.800 -0.384 0.000 0.967 211 D HN 0.625 nan 8.370 nan 0.000 0.446 212 G N 0.422 109.033 108.800 -0.316 0.000 2.505 212 G HA2 -0.328 3.628 3.960 -0.006 0.000 0.220 212 G HA3 -0.328 3.628 3.960 -0.006 0.000 0.220 212 G C 1.673 176.457 174.900 -0.193 0.000 1.145 212 G CA 1.231 46.191 45.100 -0.233 0.000 0.761 212 G HN 0.207 nan 8.290 nan 0.000 0.571 213 M N 0.518 120.014 119.600 -0.172 0.000 2.086 213 M HA 0.011 4.488 4.480 -0.006 0.000 0.261 213 M C 2.895 179.129 176.300 -0.109 0.000 1.067 213 M CA 1.498 56.721 55.300 -0.128 0.000 1.116 213 M CB -0.492 32.042 32.600 -0.111 0.000 1.348 213 M HN 0.297 nan 8.290 nan 0.000 0.407 214 G N 0.148 108.872 108.800 -0.127 0.000 2.446 214 G HA2 -0.230 3.727 3.960 -0.006 0.000 0.217 214 G HA3 -0.230 3.727 3.960 -0.006 0.000 0.217 214 G C 1.496 176.403 174.900 0.011 0.000 1.168 214 G CA 0.826 45.936 45.100 0.016 0.000 0.771 214 G HN 0.360 nan 8.290 nan 0.000 0.551 215 M N 0.763 120.289 119.600 -0.125 0.000 2.108 215 M HA -0.055 4.421 4.480 -0.006 0.000 0.261 215 M C 3.057 179.413 176.300 0.093 0.000 1.066 215 M CA 1.447 56.753 55.300 0.010 0.000 1.107 215 M CB -0.345 32.224 32.600 -0.052 0.000 1.356 215 M HN 0.340 nan 8.290 nan 0.000 0.406 216 A N 0.649 123.475 122.820 0.009 0.000 1.873 216 A HA -0.111 4.205 4.320 -0.006 0.000 0.215 216 A C 2.118 179.717 177.584 0.025 0.000 1.186 216 A CA 1.231 53.279 52.037 0.019 0.000 0.616 216 A CB -0.951 18.013 19.000 -0.059 0.000 0.823 216 A HN 0.434 nan 8.150 nan 0.000 0.442 217 L N -0.228 120.985 121.223 -0.016 0.000 2.051 217 L HA -0.248 4.089 4.340 -0.006 0.000 0.214 217 L C 2.765 179.627 176.870 -0.013 0.000 1.076 217 L CA 1.668 56.494 54.840 -0.023 0.000 0.758 217 L CB -0.417 41.627 42.059 -0.025 0.000 0.890 217 L HN 0.338 nan 8.230 nan 0.000 0.433 218 S N -1.884 113.794 115.700 -0.036 0.000 2.442 218 S HA -0.141 4.326 4.470 -0.006 0.000 0.236 218 S C 1.263 175.668 174.600 -0.325 0.000 1.007 218 S CA 0.805 58.906 58.200 -0.166 0.000 0.965 218 S CB -0.283 62.788 63.200 -0.216 0.000 0.773 218 S HN 0.454 nan 8.310 nan 0.000 0.504 219 H N -0.746 118.325 119.070 0.002 0.000 2.486 219 H HA 0.314 4.868 4.556 -0.003 0.000 0.284 219 H C 1.546 176.881 175.328 0.012 0.000 1.103 219 H CA 0.484 56.532 56.048 0.001 0.000 1.089 219 H CB 0.244 29.997 29.762 -0.016 0.000 1.603 219 H HN 0.474 nan 8.280 nan 0.000 0.557 220 G N 1.041 109.898 108.800 0.095 0.000 2.179 220 G HA2 -0.299 3.658 3.960 -0.006 0.000 0.260 220 G HA3 -0.299 3.658 3.960 -0.006 0.000 0.260 220 G C 0.365 175.365 174.900 0.167 0.000 0.977 220 G CA 0.329 45.515 45.100 0.144 0.000 0.641 220 G HN 0.233 nan 8.290 nan 0.000 0.533 221 V N 3.657 123.607 119.914 0.060 0.000 2.530 221 V HA 0.455 4.571 4.120 -0.006 0.000 0.282 221 V C -0.945 175.023 176.094 -0.209 0.000 1.048 221 V CA -0.846 61.424 62.300 -0.049 0.000 0.997 221 V CB 1.427 33.212 31.823 -0.065 0.000 0.987 221 V HN 0.293 nan 8.190 nan 0.000 0.477 222 P HA 0.398 nan 4.420 nan 0.000 0.281 222 P C -1.178 175.863 177.300 -0.432 0.000 1.264 222 P CA -0.617 62.022 63.100 -0.768 0.000 0.824 222 P CB 1.481 32.208 31.700 -1.622 0.000 1.092 223 L N 1.487 122.497 121.223 -0.354 0.000 2.287 223 L HA 0.498 4.834 4.340 -0.006 0.000 0.287 223 L C 1.024 177.772 176.870 -0.203 0.000 1.022 223 L CA -0.730 53.976 54.840 -0.224 0.000 0.814 223 L CB 1.272 43.237 42.059 -0.156 0.000 1.217 223 L HN 0.383 nan 8.230 nan 0.000 0.420 224 R N 3.154 123.556 120.500 -0.163 0.000 2.428 224 R HA 0.168 4.504 4.340 -0.006 0.000 0.294 224 R C -0.358 175.943 176.300 0.001 0.000 1.000 224 R CA -0.363 55.674 56.100 -0.106 0.000 0.960 224 R CB 0.737 30.935 30.300 -0.170 0.000 1.076 224 R HN 0.648 nan 8.270 nan 0.000 0.475 225 D N 4.046 124.513 120.400 0.112 0.000 2.737 225 D HA -0.205 4.431 4.640 -0.006 0.000 0.233 225 D C 0.761 177.198 176.300 0.228 0.000 1.155 225 D CA 0.723 54.897 54.000 0.290 0.000 0.667 225 D CB -0.293 40.744 40.800 0.396 0.000 1.060 225 D HN 0.595 nan 8.370 nan 0.000 0.427 226 M N -0.266 119.367 119.600 0.054 0.000 2.460 226 M HA -0.133 4.344 4.480 -0.006 0.000 0.263 226 M C 2.147 178.418 176.300 -0.049 0.000 1.071 226 M CA 1.202 56.503 55.300 0.002 0.000 1.096 226 M CB -0.536 32.042 32.600 -0.036 0.000 1.408 226 M HN 0.274 nan 8.290 nan 0.000 0.463 227 E N 0.163 120.247 120.200 -0.194 0.000 2.418 227 E HA -0.127 4.219 4.350 -0.006 0.000 0.197 227 E C -0.187 176.164 176.600 -0.415 0.000 1.026 227 E CA 0.451 56.622 56.400 -0.382 0.000 0.862 227 E CB -0.587 28.697 29.700 -0.693 0.000 0.799 227 E HN 0.385 nan 8.360 nan 0.000 0.518 228 F N 1.842 121.813 119.950 0.035 0.000 2.451 228 F HA 0.248 4.771 4.527 -0.007 0.000 0.356 228 F C -0.090 175.750 175.800 0.067 0.000 1.178 228 F CA -0.742 57.303 58.000 0.075 0.000 1.210 228 F CB 1.028 40.075 39.000 0.079 0.000 1.504 228 F HN -0.298 nan 8.300 nan 0.000 0.598 229 V N 3.303 123.326 119.914 0.181 0.000 2.350 229 V HA 0.182 4.299 4.120 -0.006 0.000 0.276 229 V C 0.076 176.257 176.094 0.146 0.000 1.028 229 V CA -0.783 61.578 62.300 0.103 0.000 0.860 229 V CB 1.381 33.235 31.823 0.051 0.000 0.990 229 V HN 0.618 nan 8.190 nan 0.000 0.453 230 Q N 4.043 123.919 119.800 0.127 0.000 2.295 230 Q HA 0.285 4.622 4.340 -0.006 0.000 0.259 230 Q C -1.558 174.535 176.000 0.155 0.000 0.976 230 Q CA -0.272 55.643 55.803 0.186 0.000 0.923 230 Q CB 0.582 29.463 28.738 0.238 0.000 1.185 230 Q HN 0.670 nan 8.270 nan 0.000 0.410 231 Y N 2.025 122.336 120.300 0.018 0.000 2.387 231 Y HA 0.231 4.777 4.550 -0.006 0.000 0.330 231 Y C -0.331 175.586 175.900 0.029 0.000 1.133 231 Y CA -0.576 57.522 58.100 -0.003 0.000 1.152 231 Y CB 1.329 39.740 38.460 -0.081 0.000 1.215 231 Y HN 0.675 nan 8.280 nan 0.000 0.466 232 H N 4.897 123.999 119.070 0.054 0.000 2.489 232 H HA 0.266 4.818 4.556 -0.006 0.000 0.322 232 H C -1.759 173.547 175.328 -0.036 0.000 1.091 232 H CA -2.224 53.782 56.048 -0.071 0.000 1.291 232 H CB 1.681 31.254 29.762 -0.316 0.000 1.436 232 H HN 0.334 nan 8.280 nan 0.000 0.480 233 P HA -0.098 nan 4.420 nan 0.000 0.222 233 P C -0.236 177.081 177.300 0.029 0.000 1.147 233 P CA 0.867 63.931 63.100 -0.061 0.000 0.790 233 P CB 0.268 31.914 31.700 -0.089 0.000 0.780 234 T N -2.319 112.367 114.554 0.221 0.000 2.991 234 T HA 0.684 5.030 4.350 -0.006 0.000 0.347 234 T C 0.076 174.820 174.700 0.072 0.000 1.122 234 T CA -0.771 61.416 62.100 0.145 0.000 1.062 234 T CB 1.210 70.168 68.868 0.150 0.000 1.043 234 T HN 0.029 nan 8.240 nan 0.000 0.491 235 G N 2.452 111.241 108.800 -0.019 0.000 2.569 235 G HA2 0.667 4.623 3.960 -0.006 0.000 0.300 235 G HA3 0.667 4.623 3.960 -0.006 0.000 0.300 235 G C -0.788 174.072 174.900 -0.068 0.000 1.269 235 G CA -1.246 43.814 45.100 -0.067 0.000 0.959 235 G HN 0.786 nan 8.290 nan 0.000 0.478 236 L N 2.062 123.247 121.223 -0.063 0.000 2.371 236 L HA 0.311 4.648 4.340 -0.006 0.000 0.272 236 L C -1.661 175.166 176.870 -0.073 0.000 1.124 236 L CA -1.645 53.168 54.840 -0.044 0.000 0.816 236 L CB 1.323 43.370 42.059 -0.019 0.000 1.129 236 L HN 0.298 nan 8.230 nan 0.000 0.448 237 P HA 0.002 nan 4.420 nan 0.000 0.267 237 P C 0.714 177.960 177.300 -0.089 0.000 1.200 237 P CA 0.835 63.858 63.100 -0.127 0.000 0.772 237 P CB 1.079 32.728 31.700 -0.085 0.000 0.855 238 G N 2.794 111.510 108.800 -0.140 0.000 5.452 238 G HA2 -0.402 3.555 3.960 -0.006 0.000 0.310 238 G HA3 -0.402 3.555 3.960 -0.006 0.000 0.310 238 G C 1.469 176.429 174.900 0.099 0.000 1.392 238 G CA 1.037 46.151 45.100 0.024 0.000 0.942 238 G HN 0.692 nan 8.290 nan 0.000 0.776 239 S N 1.407 117.123 115.700 0.026 0.000 2.419 239 S HA 0.273 4.740 4.470 -0.006 0.000 0.233 239 S C 2.752 177.346 174.600 -0.010 0.000 1.016 239 S CA 2.014 60.205 58.200 -0.016 0.000 0.974 239 S CB -0.533 62.595 63.200 -0.120 0.000 0.786 239 S HN 2.763 nan 8.310 nan 0.000 0.492 240 G N 0.975 109.769 108.800 -0.011 0.000 2.189 240 G HA2 -0.273 3.683 3.960 -0.006 0.000 0.267 240 G HA3 -0.273 3.683 3.960 -0.006 0.000 0.267 240 G C 0.132 174.999 174.900 -0.055 0.000 0.975 240 G CA 0.291 45.386 45.100 -0.010 0.000 0.644 240 G HN 0.651 nan 8.290 nan 0.000 0.537 241 I N 0.684 121.198 120.570 -0.094 0.000 2.775 241 I HA 0.113 4.279 4.170 -0.006 0.000 0.290 241 I C 1.078 177.118 176.117 -0.129 0.000 1.203 241 I CA -0.509 60.716 61.300 -0.125 0.000 1.433 241 I CB 0.491 38.370 38.000 -0.200 0.000 1.354 241 I HN 0.184 nan 8.210 nan 0.000 0.579 242 L N 8.445 129.578 121.223 -0.150 0.000 2.380 242 L HA 0.240 4.577 4.340 -0.006 0.000 0.273 242 L C -0.218 176.525 176.870 -0.211 0.000 1.138 242 L CA 0.496 55.191 54.840 -0.243 0.000 0.832 242 L CB 0.572 42.456 42.059 -0.291 0.000 1.124 242 L HN 0.457 nan 8.230 nan 0.000 0.454 243 M N 4.941 124.422 119.600 -0.199 0.000 2.027 243 M HA 0.164 4.641 4.480 -0.006 0.000 0.329 243 M C 0.188 176.461 176.300 -0.046 0.000 0.971 243 M CA -0.320 54.924 55.300 -0.093 0.000 0.933 243 M CB 0.502 33.088 32.600 -0.024 0.000 1.392 243 M HN 0.794 nan 8.290 nan 0.000 0.394 244 T N 1.309 115.854 114.554 -0.015 0.000 2.897 244 T HA -0.124 4.223 4.350 -0.006 0.000 0.304 244 T C 1.338 176.158 174.700 0.199 0.000 1.051 244 T CA 0.977 63.146 62.100 0.116 0.000 1.132 244 T CB 0.382 69.365 68.868 0.190 0.000 1.066 244 T HN 0.821 nan 8.240 nan 0.000 0.518 245 E N 2.466 122.853 120.200 0.312 0.000 2.267 245 E HA -0.106 4.240 4.350 -0.006 0.000 0.197 245 E C 2.087 178.688 176.600 0.001 0.000 0.998 245 E CA 1.153 57.649 56.400 0.161 0.000 0.830 245 E CB -0.785 28.993 29.700 0.131 0.000 0.751 245 E HN 0.926 nan 8.360 nan 0.000 0.491 246 G N 0.321 109.164 108.800 0.072 0.000 2.479 246 G HA2 -0.293 3.663 3.960 -0.006 0.000 0.220 246 G HA3 -0.293 3.663 3.960 -0.006 0.000 0.220 246 G C 1.533 176.426 174.900 -0.013 0.000 1.115 246 G CA 0.850 45.941 45.100 -0.016 0.000 0.757 246 G HN 0.397 nan 8.290 nan 0.000 0.560 247 C N -0.325 118.989 119.300 0.024 0.000 2.422 247 C HA 0.077 4.534 4.460 -0.006 0.000 0.279 247 C C 2.884 177.870 174.990 -0.007 0.000 1.305 247 C CA 0.654 59.680 59.018 0.013 0.000 1.757 247 C CB -0.646 27.113 27.740 0.032 0.000 1.962 247 C HN 0.482 nan 8.230 nan 0.000 0.499 248 R N -0.057 120.433 120.500 -0.017 0.000 2.156 248 R HA 0.070 4.406 4.340 -0.006 0.000 0.207 248 R C 2.400 178.668 176.300 -0.054 0.000 1.040 248 R CA 0.938 57.025 56.100 -0.021 0.000 1.013 248 R CB -0.472 29.817 30.300 -0.018 0.000 0.931 248 R HN 0.524 nan 8.270 nan 0.000 0.465 249 G N 0.890 109.620 108.800 -0.117 0.000 2.559 249 G HA2 -0.174 3.782 3.960 -0.006 0.000 0.216 249 G HA3 -0.174 3.782 3.960 -0.006 0.000 0.216 249 G C 1.044 175.888 174.900 -0.094 0.000 1.126 249 G CA 0.399 45.407 45.100 -0.153 0.000 0.778 249 G HN 0.148 nan 8.290 nan 0.000 0.543 250 E N -0.050 120.112 120.200 -0.063 0.000 2.463 250 E HA 0.203 4.549 4.350 -0.006 0.000 0.193 250 E C 1.600 178.193 176.600 -0.012 0.000 1.041 250 E CA 0.437 56.815 56.400 -0.036 0.000 0.879 250 E CB 0.320 30.002 29.700 -0.030 0.000 0.997 250 E HN 0.395 nan 8.360 nan 0.000 0.478 251 G N 0.923 109.729 108.800 0.009 0.000 2.144 251 G HA2 -0.208 3.748 3.960 -0.006 0.000 0.218 251 G HA3 -0.208 3.748 3.960 -0.006 0.000 0.218 251 G C 0.645 175.649 174.900 0.174 0.000 0.988 251 G CA -0.169 44.982 45.100 0.085 0.000 0.659 251 G HN 0.460 nan 8.290 nan 0.000 0.522 252 G N -0.023 108.816 108.800 0.065 0.000 2.569 252 G HA2 0.664 4.620 3.960 -0.006 0.000 0.249 252 G HA3 0.664 4.620 3.960 -0.006 0.000 0.249 252 G C 0.351 175.331 174.900 0.133 0.000 1.216 252 G CA 0.121 45.270 45.100 0.082 0.000 0.845 252 G HN 1.453 nan 8.290 nan 0.000 0.568 253 I N -1.784 118.886 120.570 0.168 0.000 2.846 253 I HA 0.691 4.857 4.170 -0.006 0.000 0.307 253 I C -0.836 175.322 176.117 0.068 0.000 1.053 253 I CA -1.345 60.004 61.300 0.082 0.000 1.050 253 I CB 2.325 40.356 38.000 0.052 0.000 1.239 253 I HN 0.202 nan 8.210 nan 0.000 0.439 254 L N 5.113 126.328 121.223 -0.012 0.000 2.325 254 L HA 0.720 5.057 4.340 -0.006 0.000 0.281 254 L C -0.409 176.427 176.870 -0.057 0.000 1.004 254 L CA -0.861 53.988 54.840 0.014 0.000 0.823 254 L CB 1.804 43.846 42.059 -0.028 0.000 1.236 254 L HN 0.634 nan 8.230 nan 0.000 0.415 255 V N -0.201 119.821 119.914 0.180 0.000 3.102 255 V HA 0.679 4.796 4.120 -0.006 0.000 0.312 255 V C -0.549 175.817 176.094 0.455 0.000 1.135 255 V CA -0.873 61.573 62.300 0.244 0.000 1.022 255 V CB 1.895 33.839 31.823 0.201 0.000 1.056 255 V HN 0.797 nan 8.190 nan 0.000 0.436 256 N N 1.390 120.374 118.700 0.473 0.000 2.531 256 N HA 0.305 5.041 4.740 -0.006 0.000 0.301 256 N C 0.779 176.446 175.510 0.262 0.000 1.310 256 N CA -0.162 53.094 53.050 0.343 0.000 0.949 256 N CB 0.145 38.819 38.487 0.312 0.000 1.111 256 N HN 0.864 nan 8.380 nan 0.000 0.565 257 K N -1.512 118.990 120.400 0.169 0.000 2.362 257 K HA 0.053 4.370 4.320 -0.006 0.000 0.200 257 K C 0.170 176.860 176.600 0.150 0.000 1.046 257 K CA 0.946 57.328 56.287 0.157 0.000 0.952 257 K CB -0.281 32.271 32.500 0.087 0.000 0.753 257 K HN 0.316 nan 8.250 nan 0.000 0.466 258 N N 0.734 119.527 118.700 0.154 0.000 2.336 258 N HA 0.034 4.770 4.740 -0.006 0.000 0.189 258 N C 0.705 176.314 175.510 0.165 0.000 1.113 258 N CA 0.910 54.037 53.050 0.128 0.000 0.858 258 N CB 0.986 39.529 38.487 0.093 0.000 0.970 258 N HN 0.552 nan 8.380 nan 0.000 0.471 259 G N 0.740 109.667 108.800 0.210 0.000 2.148 259 G HA2 -0.322 3.635 3.960 -0.006 0.000 0.254 259 G HA3 -0.322 3.635 3.960 -0.006 0.000 0.254 259 G C -0.217 174.830 174.900 0.245 0.000 0.981 259 G CA 0.151 45.370 45.100 0.197 0.000 0.670 259 G HN 0.455 nan 8.290 nan 0.000 0.528 260 Y N 1.264 121.642 120.300 0.130 0.000 2.304 260 Y HA 0.582 5.128 4.550 -0.006 0.000 0.328 260 Y C 1.146 177.121 175.900 0.126 0.000 1.123 260 Y CA -1.357 56.813 58.100 0.117 0.000 1.218 260 Y CB 0.609 39.147 38.460 0.129 0.000 1.207 260 Y HN 0.133 nan 8.280 nan 0.000 0.495 261 R N 6.868 127.134 120.500 -0.390 0.000 4.164 261 R HA 0.002 4.338 4.340 -0.006 0.000 0.195 261 R C 0.434 176.202 176.300 -0.886 0.000 1.712 261 R CA -0.045 55.730 56.100 -0.542 0.000 1.457 261 R CB -0.649 29.432 30.300 -0.366 0.000 1.387 261 R HN 0.866 nan 8.270 nan 0.000 0.785 262 Y N -0.908 119.128 120.300 -0.439 0.000 2.271 262 Y HA -0.275 4.272 4.550 -0.006 0.000 0.284 262 Y C 1.224 177.158 175.900 0.056 0.000 1.189 262 Y CA 1.004 59.022 58.100 -0.138 0.000 1.229 262 Y CB -0.569 38.052 38.460 0.269 0.000 0.973 262 Y HN 0.280 nan 8.280 nan 0.000 0.537 263 L N 1.307 122.427 121.223 -0.171 0.000 2.450 263 L HA -0.202 4.134 4.340 -0.006 0.000 0.224 263 L C 2.641 179.566 176.870 0.090 0.000 1.149 263 L CA 1.547 56.461 54.840 0.123 0.000 0.816 263 L CB -0.709 41.325 42.059 -0.042 0.000 0.932 263 L HN 0.519 nan 8.230 nan 0.000 0.449 264 Q N -1.184 118.575 119.800 -0.068 0.000 2.378 264 Q HA -0.127 4.209 4.340 -0.006 0.000 0.205 264 Q C 0.537 176.524 176.000 -0.022 0.000 0.954 264 Q CA 0.972 56.755 55.803 -0.033 0.000 0.901 264 Q CB -0.066 28.628 28.738 -0.072 0.000 0.981 264 Q HN 0.404 nan 8.270 nan 0.000 0.483 265 D N -0.132 120.206 120.400 -0.103 0.000 2.340 265 D HA 0.039 4.676 4.640 -0.006 0.000 0.217 265 D C -0.344 175.634 176.300 -0.536 0.000 1.081 265 D CA 0.233 54.065 54.000 -0.280 0.000 0.842 265 D CB 0.246 40.868 40.800 -0.295 0.000 0.934 265 D HN 0.389 nan 8.370 nan 0.000 0.511 266 Y N -0.452 119.911 120.300 0.106 0.000 2.736 266 Y HA 0.367 4.914 4.550 -0.006 0.000 0.293 266 Y C 1.583 177.528 175.900 0.075 0.000 1.062 266 Y CA -0.513 57.644 58.100 0.096 0.000 1.247 266 Y CB 0.972 39.528 38.460 0.161 0.000 1.200 266 Y HN -0.017 nan 8.280 nan 0.000 0.552 267 G N 0.437 109.306 108.800 0.114 0.000 2.159 267 G HA2 -0.329 3.628 3.960 -0.006 0.000 0.256 267 G HA3 -0.329 3.628 3.960 -0.006 0.000 0.256 267 G C 0.508 175.452 174.900 0.074 0.000 0.977 267 G CA 0.490 45.642 45.100 0.088 0.000 0.652 267 G HN 0.446 nan 8.290 nan 0.000 0.531 268 M N 1.057 120.714 119.600 0.095 0.000 2.576 268 M HA 0.372 4.848 4.480 -0.006 0.000 0.322 268 M C 1.413 177.799 176.300 0.143 0.000 1.184 268 M CA 0.439 55.783 55.300 0.073 0.000 0.967 268 M CB 0.940 33.584 32.600 0.073 0.000 1.372 268 M HN 0.284 nan 8.290 nan 0.000 0.509 269 G N 1.111 109.992 108.800 0.134 0.000 2.543 269 G HA2 0.582 4.538 3.960 -0.006 0.000 0.290 269 G HA3 0.582 4.538 3.960 -0.006 0.000 0.290 269 G C -2.790 172.241 174.900 0.218 0.000 1.310 269 G CA -0.994 44.186 45.100 0.133 0.000 1.025 269 G HN 0.066 nan 8.290 nan 0.000 0.502 270 P HA 0.242 nan 4.420 nan 0.000 0.276 270 P C -0.105 177.193 177.300 -0.003 0.000 1.244 270 P CA -0.578 62.539 63.100 0.028 0.000 0.801 270 P CB 0.826 32.520 31.700 -0.010 0.000 1.006 271 E N 0.328 120.517 120.200 -0.019 0.000 2.459 271 E HA 0.118 4.464 4.350 -0.006 0.000 0.264 271 E C -0.426 176.138 176.600 -0.061 0.000 1.055 271 E CA 0.141 56.515 56.400 -0.043 0.000 0.957 271 E CB 0.288 29.958 29.700 -0.050 0.000 0.952 271 E HN 0.510 nan 8.360 nan 0.000 0.448 272 T N 1.833 116.349 114.554 -0.065 0.000 2.885 272 T HA 0.531 4.877 4.350 -0.006 0.000 0.285 272 T C -2.554 172.105 174.700 -0.067 0.000 1.019 272 T CA -2.051 60.003 62.100 -0.077 0.000 1.010 272 T CB 1.567 70.393 68.868 -0.070 0.000 1.022 272 T HN 0.241 nan 8.240 nan 0.000 0.466 273 P HA 0.272 nan 4.420 nan 0.000 0.271 273 P C 1.272 178.530 177.300 -0.071 0.000 1.216 273 P CA -0.599 62.463 63.100 -0.064 0.000 0.776 273 P CB 0.491 32.160 31.700 -0.052 0.000 0.881 274 L N 1.667 122.823 121.223 -0.112 0.000 2.085 274 L HA -0.311 4.026 4.340 -0.006 0.000 0.218 274 L C 2.415 179.264 176.870 -0.035 0.000 1.080 274 L CA 2.204 56.946 54.840 -0.164 0.000 0.776 274 L CB -1.278 40.602 42.059 -0.298 0.000 0.891 274 L HN 0.640 nan 8.230 nan 0.000 0.437 275 G N -0.037 108.749 108.800 -0.023 0.000 2.639 275 G HA2 -0.226 3.730 3.960 -0.006 0.000 0.216 275 G HA3 -0.226 3.730 3.960 -0.006 0.000 0.216 275 G C 0.322 175.230 174.900 0.013 0.000 1.267 275 G CA 0.504 45.609 45.100 0.009 0.000 0.801 275 G HN 0.446 nan 8.290 nan 0.000 0.592 276 E N 2.049 122.243 120.200 -0.009 0.000 2.042 276 E HA 0.356 4.703 4.350 -0.006 0.000 0.260 276 E C -2.392 174.197 176.600 -0.019 0.000 0.975 276 E CA -1.869 54.523 56.400 -0.014 0.000 0.799 276 E CB 1.571 31.256 29.700 -0.026 0.000 1.131 276 E HN 0.290 nan 8.360 nan 0.000 0.423 277 P HA 0.112 nan 4.420 nan 0.000 0.279 277 P C -0.686 176.614 177.300 -0.001 0.000 1.239 277 P CA -0.483 62.616 63.100 -0.002 0.000 0.789 277 P CB 1.160 32.864 31.700 0.006 0.000 0.933 278 K N 2.388 122.800 120.400 0.019 0.000 2.270 278 K HA 0.206 4.522 4.320 -0.006 0.000 0.255 278 K C 0.182 176.861 176.600 0.132 0.000 0.936 278 K CA -0.796 55.522 56.287 0.051 0.000 0.809 278 K CB 1.382 33.877 32.500 -0.008 0.000 1.131 278 K HN 0.449 nan 8.250 nan 0.000 0.427 279 N N 2.926 121.688 118.700 0.103 0.000 2.416 279 N HA -0.077 4.659 4.740 -0.006 0.000 0.246 279 N C -0.333 175.251 175.510 0.123 0.000 1.260 279 N CA 1.178 54.275 53.050 0.078 0.000 0.897 279 N CB 0.458 38.968 38.487 0.038 0.000 1.110 279 N HN 0.776 nan 8.380 nan 0.000 0.439 280 K N -0.120 120.289 120.400 0.014 0.000 3.483 280 K HA -0.260 4.056 4.320 -0.006 0.000 0.288 280 K C -0.721 175.728 176.600 -0.250 0.000 0.894 280 K CA 1.335 57.545 56.287 -0.128 0.000 1.245 280 K CB -1.059 31.315 32.500 -0.211 0.000 1.368 280 K HN 0.537 nan 8.250 nan 0.000 0.477 281 Y N 0.494 120.791 120.300 -0.005 0.000 2.488 281 Y HA 0.320 4.866 4.550 -0.006 0.000 0.325 281 Y C 1.721 177.611 175.900 -0.017 0.000 1.204 281 Y CA -0.970 57.126 58.100 -0.006 0.000 1.229 281 Y CB 0.570 39.024 38.460 -0.011 0.000 1.274 281 Y HN -0.111 nan 8.280 nan 0.000 0.493 282 M N -0.487 119.206 119.600 0.155 0.000 7.319 282 M HA -0.433 4.044 4.480 -0.006 0.000 0.349 282 M C 1.429 177.736 176.300 0.012 0.000 0.480 282 M CA 1.881 57.211 55.300 0.049 0.000 1.311 282 M CB -1.578 31.032 32.600 0.017 0.000 0.421 282 M HN 0.834 nan 8.290 nan 0.000 1.025 283 E N 0.572 120.765 120.200 -0.012 0.000 2.409 283 E HA 0.049 4.396 4.350 -0.006 0.000 0.198 283 E C 1.338 177.932 176.600 -0.009 0.000 1.024 283 E CA 0.714 57.104 56.400 -0.017 0.000 0.861 283 E CB -0.214 29.475 29.700 -0.018 0.000 0.788 283 E HN 0.477 nan 8.360 nan 0.000 0.521 284 L N 0.174 121.400 121.223 0.004 0.000 2.912 284 L HA 0.310 4.647 4.340 -0.006 0.000 0.240 284 L C 0.896 177.758 176.870 -0.012 0.000 1.262 284 L CA -0.736 54.097 54.840 -0.011 0.000 1.058 284 L CB 0.212 42.269 42.059 -0.003 0.000 1.383 284 L HN 0.041 nan 8.230 nan 0.000 0.512 285 G N 0.063 108.857 108.800 -0.011 0.000 2.588 285 G HA2 0.362 4.318 3.960 -0.006 0.000 0.281 285 G HA3 0.362 4.318 3.960 -0.006 0.000 0.281 285 G C -2.528 172.357 174.900 -0.025 0.000 1.236 285 G CA -1.135 43.948 45.100 -0.027 0.000 0.969 285 G HN -0.012 nan 8.290 nan 0.000 0.504 286 P HA 0.019 nan 4.420 nan 0.000 0.261 286 P C 1.055 178.346 177.300 -0.015 0.000 1.183 286 P CA -0.213 62.879 63.100 -0.014 0.000 0.761 286 P CB 0.694 32.392 31.700 -0.003 0.000 0.785 287 R N 3.471 123.955 120.500 -0.026 0.000 2.136 287 R HA -0.247 4.089 4.340 -0.006 0.000 0.242 287 R C 1.025 177.298 176.300 -0.045 0.000 1.131 287 R CA 2.286 58.356 56.100 -0.050 0.000 0.937 287 R CB -0.669 29.599 30.300 -0.052 0.000 0.863 287 R HN 0.492 nan 8.270 nan 0.000 0.435 288 D N 0.324 120.702 120.400 -0.037 0.000 2.133 288 D HA -0.164 4.472 4.640 -0.006 0.000 0.195 288 D C 1.897 178.159 176.300 -0.063 0.000 0.997 288 D CA 1.147 55.108 54.000 -0.066 0.000 0.840 288 D CB -0.081 40.682 40.800 -0.061 0.000 0.947 288 D HN 0.195 nan 8.370 nan 0.000 0.452 289 K N 0.502 120.897 120.400 -0.009 0.000 2.148 289 K HA -0.022 4.294 4.320 -0.006 0.000 0.204 289 K C 2.260 178.894 176.600 0.056 0.000 1.050 289 K CA 0.236 56.548 56.287 0.042 0.000 0.942 289 K CB -0.506 32.036 32.500 0.070 0.000 0.724 289 K HN 0.138 nan 8.250 nan 0.000 0.446 290 V N 1.251 121.189 119.914 0.040 0.000 2.453 290 V HA -0.159 3.957 4.120 -0.006 0.000 0.247 290 V C 2.226 178.371 176.094 0.085 0.000 1.048 290 V CA 1.661 64.007 62.300 0.078 0.000 1.049 290 V CB -0.391 31.456 31.823 0.040 0.000 0.672 290 V HN 0.219 nan 8.190 nan 0.000 0.457 291 S N -0.532 115.171 115.700 0.005 0.000 2.387 291 S HA -0.210 4.257 4.470 -0.006 0.000 0.226 291 S C 1.988 176.579 174.600 -0.015 0.000 1.026 291 S CA 1.240 59.427 58.200 -0.022 0.000 0.972 291 S CB -0.235 62.896 63.200 -0.114 0.000 0.814 291 S HN 0.655 nan 8.310 nan 0.000 0.477 292 Q N 0.850 120.595 119.800 -0.091 0.000 2.167 292 Q HA 0.059 4.396 4.340 -0.006 0.000 0.202 292 Q C 2.411 178.382 176.000 -0.048 0.000 0.970 292 Q CA 1.144 56.865 55.803 -0.137 0.000 0.855 292 Q CB -0.330 28.335 28.738 -0.121 0.000 0.911 292 Q HN 0.583 nan 8.270 nan 0.000 0.438 293 A N 0.577 123.393 122.820 -0.007 0.000 1.933 293 A HA -0.206 4.110 4.320 -0.006 0.000 0.218 293 A C 1.835 179.347 177.584 -0.119 0.000 1.175 293 A CA 1.081 52.988 52.037 -0.217 0.000 0.628 293 A CB -0.767 18.246 19.000 0.022 0.000 0.814 293 A HN 0.478 nan 8.150 nan 0.000 0.444 294 F N -1.093 118.808 119.950 -0.081 0.000 2.069 294 F HA -0.217 4.307 4.527 -0.006 0.000 0.298 294 F C 2.038 177.855 175.800 0.029 0.000 1.113 294 F CA 2.212 60.164 58.000 -0.081 0.000 1.214 294 F CB -0.520 38.471 39.000 -0.015 0.000 0.978 294 F HN 0.453 nan 8.300 nan 0.000 0.474 295 W N 0.935 122.264 121.300 0.048 0.000 2.338 295 W HA -0.253 4.404 4.660 -0.006 0.000 0.304 295 W C 2.796 179.311 176.519 -0.006 0.000 1.212 295 W CA 2.476 59.842 57.345 0.035 0.000 1.264 295 W CB -0.602 28.875 29.460 0.029 0.000 1.142 295 W HN 0.111 nan 8.180 nan 0.000 0.512 296 H N -0.121 119.127 119.070 0.297 0.000 2.321 296 H HA -0.130 4.422 4.556 -0.006 0.000 0.300 296 H C 2.075 177.382 175.328 -0.035 0.000 1.087 296 H CA 1.795 57.924 56.048 0.135 0.000 1.319 296 H CB -0.788 28.987 29.762 0.021 0.000 1.379 296 H HN 0.156 nan 8.280 nan 0.000 0.501 297 E N 0.194 120.360 120.200 -0.057 0.000 2.085 297 E HA -0.188 4.158 4.350 -0.006 0.000 0.194 297 E C 2.187 178.642 176.600 -0.242 0.000 0.994 297 E CA 0.617 56.901 56.400 -0.193 0.000 0.801 297 E CB -0.570 28.818 29.700 -0.520 0.000 0.743 297 E HN 0.530 nan 8.360 nan 0.000 0.453 298 W N 2.128 123.118 121.300 -0.516 0.000 2.355 298 W HA -0.173 4.484 4.660 -0.005 0.000 0.309 298 W C 2.097 178.383 176.519 -0.388 0.000 1.206 298 W CA 1.447 58.477 57.345 -0.525 0.000 1.284 298 W CB -0.047 29.020 29.460 -0.654 0.000 1.145 298 W HN -0.086 nan 8.180 nan 0.000 0.502 299 R N 0.724 120.916 120.500 -0.514 0.000 2.091 299 R HA -0.142 4.195 4.340 -0.006 0.000 0.238 299 R C 1.903 177.931 176.300 -0.453 0.000 1.136 299 R CA 1.826 57.554 56.100 -0.620 0.000 0.959 299 R CB -1.114 28.972 30.300 -0.357 0.000 0.856 299 R HN 0.332 nan 8.270 nan 0.000 0.437 300 K N -0.571 119.668 120.400 -0.268 0.000 2.439 300 K HA 0.025 4.342 4.320 -0.006 0.000 0.197 300 K C 0.772 177.236 176.600 -0.227 0.000 1.041 300 K CA 0.688 56.865 56.287 -0.184 0.000 0.970 300 K CB 0.136 32.597 32.500 -0.066 0.000 0.773 300 K HN 0.411 nan 8.250 nan 0.000 0.479 301 G N 1.984 110.581 108.800 -0.338 0.000 2.171 301 G HA2 -0.200 3.756 3.960 -0.006 0.000 0.238 301 G HA3 -0.200 3.756 3.960 -0.006 0.000 0.238 301 G C 0.086 174.877 174.900 -0.181 0.000 1.039 301 G CA 0.047 44.969 45.100 -0.296 0.000 0.759 301 G HN 0.260 nan 8.290 nan 0.000 0.501 302 N N 0.126 118.725 118.700 -0.168 0.000 2.236 302 N HA 0.121 4.858 4.740 -0.006 0.000 0.196 302 N C 1.300 176.754 175.510 -0.093 0.000 1.114 302 N CA 0.915 53.912 53.050 -0.089 0.000 0.859 302 N CB 0.509 38.973 38.487 -0.038 0.000 0.982 302 N HN 0.795 nan 8.380 nan 0.000 0.493 303 T N -0.968 113.500 114.554 -0.143 0.000 2.882 303 T HA 0.528 4.874 4.350 -0.006 0.000 0.287 303 T C 0.400 175.069 174.700 -0.050 0.000 1.014 303 T CA -0.543 61.485 62.100 -0.119 0.000 1.049 303 T CB 1.147 69.935 68.868 -0.132 0.000 1.001 303 T HN -0.147 nan 8.240 nan 0.000 0.525 304 I N 1.898 122.434 120.570 -0.057 0.000 2.365 304 I HA 0.337 4.503 4.170 -0.006 0.000 0.291 304 I C 0.760 176.869 176.117 -0.014 0.000 1.004 304 I CA -0.150 61.129 61.300 -0.035 0.000 1.311 304 I CB 1.512 39.453 38.000 -0.100 0.000 1.401 304 I HN 0.668 nan 8.210 nan 0.000 0.491 305 S N 4.013 119.723 115.700 0.017 0.000 2.513 305 S HA 0.636 5.103 4.470 -0.006 0.000 0.276 305 S C -0.028 174.591 174.600 0.032 0.000 1.254 305 S CA -0.405 57.814 58.200 0.032 0.000 1.053 305 S CB 0.085 63.306 63.200 0.036 0.000 0.958 305 S HN 0.798 nan 8.310 nan 0.000 0.491 306 T N 2.622 117.194 114.554 0.030 0.000 2.887 306 T HA 0.585 4.932 4.350 -0.006 0.000 0.292 306 T C -2.323 172.397 174.700 0.032 0.000 1.087 306 T CA -1.661 60.459 62.100 0.034 0.000 1.009 306 T CB 1.001 69.886 68.868 0.029 0.000 1.203 306 T HN 0.259 nan 8.240 nan 0.000 0.518 307 P HA 0.081 nan 4.420 nan 0.000 0.218 307 P C 1.120 178.438 177.300 0.029 0.000 1.148 307 P CA 0.824 63.944 63.100 0.034 0.000 0.822 307 P CB 0.107 31.830 31.700 0.038 0.000 0.784 308 R N -1.259 119.253 120.500 0.020 0.000 2.317 308 R HA 0.393 4.730 4.340 -0.006 0.000 0.208 308 R C 0.682 176.961 176.300 -0.035 0.000 0.914 308 R CA 0.359 56.460 56.100 0.002 0.000 1.060 308 R CB 0.140 30.441 30.300 0.002 0.000 1.015 308 R HN 0.198 nan 8.270 nan 0.000 0.498 309 G N 0.220 109.011 108.800 -0.015 0.000 2.381 309 G HA2 -0.144 3.813 3.960 -0.006 0.000 0.672 309 G HA3 -0.144 3.813 3.960 -0.006 0.000 0.672 309 G C -1.676 173.228 174.900 0.006 0.000 1.324 309 G CA -1.073 44.014 45.100 -0.023 0.000 0.975 309 G HN 0.026 nan 8.290 nan 0.000 0.593 310 D N 0.196 120.622 120.400 0.043 0.000 2.389 310 D HA 0.459 5.096 4.640 -0.006 0.000 0.247 310 D C 0.948 177.346 176.300 0.163 0.000 1.128 310 D CA 1.091 55.152 54.000 0.101 0.000 0.884 310 D CB 1.798 42.703 40.800 0.175 0.000 1.194 310 D HN 1.182 nan 8.370 nan 0.000 0.441 311 V N -0.722 119.254 119.914 0.104 0.000 3.103 311 V HA 0.784 4.901 4.120 -0.006 0.000 0.311 311 V C -0.349 175.796 176.094 0.085 0.000 1.322 311 V CA -0.854 61.539 62.300 0.154 0.000 1.063 311 V CB 1.682 33.477 31.823 -0.046 0.000 1.090 311 V HN 0.345 nan 8.190 nan 0.000 0.462 312 V N -2.131 117.854 119.914 0.118 0.000 3.155 312 V HA 0.747 4.863 4.120 -0.006 0.000 0.313 312 V C -1.347 174.727 176.094 -0.033 0.000 1.162 312 V CA -0.858 61.486 62.300 0.075 0.000 1.048 312 V CB 1.901 33.915 31.823 0.317 0.000 1.092 312 V HN 0.926 nan 8.190 nan 0.000 0.447 313 Y N 1.183 121.612 120.300 0.216 0.000 2.341 313 Y HA 0.720 5.267 4.550 -0.006 0.000 0.337 313 Y C -0.179 175.804 175.900 0.138 0.000 1.014 313 Y CA -1.028 57.165 58.100 0.154 0.000 1.111 313 Y CB 1.863 40.400 38.460 0.129 0.000 1.194 313 Y HN 0.691 nan 8.280 nan 0.000 0.462 314 L N 4.835 126.246 121.223 0.313 0.000 2.288 314 L HA 0.390 4.727 4.340 -0.006 0.000 0.283 314 L C -0.795 176.172 176.870 0.161 0.000 1.072 314 L CA -0.273 54.682 54.840 0.192 0.000 0.862 314 L CB 0.057 42.201 42.059 0.141 0.000 1.245 314 L HN 0.510 nan 8.230 nan 0.000 0.432 315 D N 3.833 124.324 120.400 0.152 0.000 2.313 315 D HA 0.290 4.926 4.640 -0.006 0.000 0.239 315 D C 0.484 176.841 176.300 0.096 0.000 1.142 315 D CA 0.011 54.085 54.000 0.123 0.000 0.847 315 D CB 0.911 41.796 40.800 0.142 0.000 1.082 315 D HN 0.613 nan 8.370 nan 0.000 0.480 316 L N 3.609 124.826 121.223 -0.011 0.000 2.858 316 L HA 0.245 4.582 4.340 -0.006 0.000 0.251 316 L C 2.185 178.892 176.870 -0.270 0.000 1.149 316 L CA -0.417 54.314 54.840 -0.181 0.000 0.955 316 L CB 0.079 42.084 42.059 -0.089 0.000 1.289 316 L HN 0.274 nan 8.230 nan 0.000 0.542 317 R N 0.887 121.329 120.500 -0.096 0.000 2.136 317 R HA -0.235 4.102 4.340 -0.006 0.000 0.242 317 R C 1.806 178.063 176.300 -0.071 0.000 1.131 317 R CA 2.131 58.207 56.100 -0.041 0.000 0.937 317 R CB -1.129 29.193 30.300 0.036 0.000 0.863 317 R HN 0.579 nan 8.270 nan 0.000 0.435 318 H N 0.679 119.753 119.070 0.007 0.000 2.565 318 H HA 0.005 4.558 4.556 -0.006 0.000 0.285 318 H C 1.528 176.860 175.328 0.006 0.000 1.064 318 H CA 0.508 56.558 56.048 0.004 0.000 1.196 318 H CB -0.107 29.656 29.762 0.001 0.000 1.332 318 H HN 0.207 nan 8.280 nan 0.000 0.621 319 L N 0.552 121.620 121.223 -0.259 0.000 2.202 319 L HA 0.164 4.500 4.340 -0.006 0.000 0.205 319 L C 0.945 177.785 176.870 -0.051 0.000 1.083 319 L CA 1.432 56.176 54.840 -0.159 0.000 0.790 319 L CB -0.697 41.260 42.059 -0.170 0.000 0.942 319 L HN 0.657 nan 8.230 nan 0.000 0.452 320 G N 0.244 109.019 108.800 -0.042 0.000 2.895 320 G HA2 -0.171 3.786 3.960 -0.006 0.000 0.686 320 G HA3 -0.171 3.786 3.960 -0.006 0.000 0.686 320 G C 0.570 175.443 174.900 -0.045 0.000 1.108 320 G CA -0.213 44.868 45.100 -0.032 0.000 0.761 320 G HN 0.155 nan 8.290 nan 0.000 0.611 321 E N 1.562 121.703 120.200 -0.099 0.000 2.072 321 E HA -0.255 4.091 4.350 -0.006 0.000 0.218 321 E C 2.512 178.990 176.600 -0.204 0.000 1.051 321 E CA 2.060 58.311 56.400 -0.248 0.000 0.880 321 E CB -0.313 29.221 29.700 -0.276 0.000 0.783 321 E HN 0.596 nan 8.360 nan 0.000 0.473 322 K N 0.944 121.275 120.400 -0.115 0.000 2.015 322 K HA -0.213 4.103 4.320 -0.006 0.000 0.220 322 K C 2.126 178.742 176.600 0.028 0.000 1.055 322 K CA 2.027 58.292 56.287 -0.037 0.000 0.951 322 K CB -0.479 32.011 32.500 -0.016 0.000 0.725 322 K HN 0.061 nan 8.250 nan 0.000 0.449 323 K N 0.281 120.696 120.400 0.026 0.000 2.032 323 K HA -0.123 4.194 4.320 -0.006 0.000 0.209 323 K C 2.108 178.761 176.600 0.088 0.000 1.048 323 K CA 1.514 57.830 56.287 0.048 0.000 0.927 323 K CB -0.235 32.278 32.500 0.023 0.000 0.712 323 K HN 0.047 nan 8.250 nan 0.000 0.441 324 L N 0.058 121.349 121.223 0.112 0.000 1.990 324 L HA -0.249 4.087 4.340 -0.006 0.000 0.213 324 L C 2.345 179.377 176.870 0.270 0.000 1.072 324 L CA 1.577 56.532 54.840 0.191 0.000 0.755 324 L CB -0.506 41.712 42.059 0.265 0.000 0.889 324 L HN 0.376 nan 8.230 nan 0.000 0.432 325 H N -1.574 117.515 119.070 0.032 0.000 2.529 325 H HA -0.091 4.462 4.556 -0.006 0.000 0.277 325 H C 1.919 177.280 175.328 0.055 0.000 0.999 325 H CA 0.816 56.889 56.048 0.042 0.000 1.256 325 H CB 0.072 29.853 29.762 0.032 0.000 1.402 325 H HN 0.414 nan 8.280 nan 0.000 0.566 326 E N 0.400 120.708 120.200 0.180 0.000 2.340 326 E HA 0.012 4.359 4.350 -0.006 0.000 0.194 326 E C 1.155 177.839 176.600 0.141 0.000 0.996 326 E CA 0.222 56.704 56.400 0.137 0.000 0.869 326 E CB 0.414 30.179 29.700 0.109 0.000 0.835 326 E HN 0.258 nan 8.360 nan 0.000 0.493 327 R N -0.755 119.824 120.500 0.132 0.000 2.517 327 R HA 0.337 4.674 4.340 -0.006 0.000 0.265 327 R C 0.449 176.824 176.300 0.125 0.000 0.921 327 R CA 0.030 56.210 56.100 0.134 0.000 1.054 327 R CB 1.026 31.384 30.300 0.098 0.000 1.340 327 R HN 0.019 nan 8.270 nan 0.000 0.551 328 L N 1.321 122.609 121.223 0.108 0.000 3.186 328 L HA 0.316 4.652 4.340 -0.006 0.000 0.317 328 L C -1.859 175.046 176.870 0.059 0.000 1.296 328 L CA -1.016 53.880 54.840 0.093 0.000 0.870 328 L CB 1.334 43.433 42.059 0.065 0.000 1.302 328 L HN -0.072 nan 8.230 nan 0.000 0.590 329 P HA -0.210 nan 4.420 nan 0.000 0.216 329 P C 1.587 178.937 177.300 0.083 0.000 1.153 329 P CA 1.239 64.333 63.100 -0.010 0.000 0.848 329 P CB 0.250 31.958 31.700 0.014 0.000 0.787 330 F N 1.463 121.389 119.950 -0.041 0.000 2.031 330 F HA -0.165 4.359 4.527 -0.006 0.000 0.295 330 F C 2.316 178.109 175.800 -0.012 0.000 1.133 330 F CA 0.814 58.795 58.000 -0.031 0.000 1.188 330 F CB -1.343 37.647 39.000 -0.017 0.000 0.974 330 F HN -0.287 nan 8.300 nan 0.000 0.473 331 I N 0.277 120.825 120.570 -0.036 0.000 2.181 331 I HA -0.417 3.749 4.170 -0.006 0.000 0.247 331 I C 2.719 178.783 176.117 -0.088 0.000 1.081 331 I CA 1.460 62.687 61.300 -0.121 0.000 1.340 331 I CB -1.939 36.045 38.000 -0.026 0.000 1.036 331 I HN 0.275 nan 8.210 nan 0.000 0.417 332 C N 0.076 119.346 119.300 -0.051 0.000 2.453 332 C HA -0.134 4.323 4.460 -0.006 0.000 0.277 332 C C 2.680 177.635 174.990 -0.058 0.000 1.262 332 C CA 0.455 59.438 59.018 -0.058 0.000 1.718 332 C CB -1.051 26.621 27.740 -0.113 0.000 2.031 332 C HN 0.508 nan 8.230 nan 0.000 0.480 333 E N 0.611 120.783 120.200 -0.046 0.000 2.106 333 E HA -0.141 4.205 4.350 -0.006 0.000 0.192 333 E C 2.082 178.649 176.600 -0.056 0.000 0.984 333 E CA 0.907 57.289 56.400 -0.031 0.000 0.806 333 E CB -0.156 29.566 29.700 0.037 0.000 0.750 333 E HN 0.612 nan 8.360 nan 0.000 0.458 334 L N 0.472 121.639 121.223 -0.093 0.000 2.017 334 L HA -0.214 4.122 4.340 -0.006 0.000 0.208 334 L C 2.615 179.508 176.870 0.039 0.000 1.073 334 L CA 1.178 56.007 54.840 -0.018 0.000 0.745 334 L CB -0.533 41.407 42.059 -0.198 0.000 0.894 334 L HN 0.151 nan 8.230 nan 0.000 0.432 335 A N 0.116 122.926 122.820 -0.016 0.000 1.883 335 A HA -0.231 4.086 4.320 -0.006 0.000 0.217 335 A C 2.339 179.921 177.584 -0.004 0.000 1.186 335 A CA 1.834 53.877 52.037 0.010 0.000 0.624 335 A CB -0.403 18.598 19.000 0.001 0.000 0.822 335 A HN 0.339 nan 8.150 nan 0.000 0.444 336 K N -0.424 119.955 120.400 -0.036 0.000 2.002 336 K HA -0.090 4.226 4.320 -0.006 0.000 0.209 336 K C 2.386 178.926 176.600 -0.100 0.000 1.048 336 K CA 1.259 57.516 56.287 -0.050 0.000 0.930 336 K CB -0.403 32.066 32.500 -0.051 0.000 0.714 336 K HN 0.439 nan 8.250 nan 0.000 0.438 337 A N 0.705 123.405 122.820 -0.200 0.000 1.873 337 A HA -0.143 4.173 4.320 -0.006 0.000 0.215 337 A C 1.744 179.033 177.584 -0.491 0.000 1.186 337 A CA 1.308 53.093 52.037 -0.420 0.000 0.616 337 A CB -0.616 17.960 19.000 -0.706 0.000 0.823 337 A HN 0.362 nan 8.150 nan 0.000 0.442 338 Y N -1.218 119.076 120.300 -0.011 0.000 2.478 338 Y HA 0.207 4.754 4.550 -0.006 0.000 0.261 338 Y C 1.547 177.449 175.900 0.004 0.000 1.127 338 Y CA 0.569 58.667 58.100 -0.004 0.000 1.288 338 Y CB 0.686 39.137 38.460 -0.014 0.000 1.084 338 Y HN 0.212 nan 8.280 nan 0.000 0.530 339 V N -4.594 115.382 119.914 0.104 0.000 3.337 339 V HA 0.546 4.662 4.120 -0.006 0.000 0.307 339 V C 1.013 177.139 176.094 0.054 0.000 1.505 339 V CA -0.114 62.237 62.300 0.085 0.000 1.072 339 V CB 0.189 32.066 31.823 0.091 0.000 0.929 339 V HN 0.219 nan 8.190 nan 0.000 0.455 340 G N 0.983 109.796 108.800 0.021 0.000 2.370 340 G HA2 -0.106 3.850 3.960 -0.006 0.000 0.293 340 G HA3 -0.106 3.850 3.960 -0.006 0.000 0.293 340 G C -0.339 174.572 174.900 0.018 0.000 0.992 340 G CA 0.643 45.747 45.100 0.006 0.000 1.247 340 G HN 1.151 nan 8.290 nan 0.000 0.505 341 V N 1.042 120.966 119.914 0.016 0.000 2.851 341 V HA 0.435 4.552 4.120 -0.006 0.000 0.307 341 V C -0.761 175.341 176.094 0.014 0.000 1.129 341 V CA -1.151 61.163 62.300 0.022 0.000 0.932 341 V CB 2.200 34.050 31.823 0.045 0.000 1.024 341 V HN 0.441 nan 8.190 nan 0.000 0.426 342 D N 5.222 125.630 120.400 0.013 0.000 2.359 342 D HA 0.366 5.003 4.640 -0.006 0.000 0.230 342 D C -2.022 174.291 176.300 0.021 0.000 1.118 342 D CA -1.862 52.149 54.000 0.018 0.000 0.844 342 D CB 2.460 43.274 40.800 0.023 0.000 1.059 342 D HN 0.216 nan 8.370 nan 0.000 0.493 343 P HA -0.056 nan 4.420 nan 0.000 0.250 343 P C 0.809 178.122 177.300 0.022 0.000 1.239 343 P CA 0.437 63.549 63.100 0.021 0.000 0.756 343 P CB 0.435 32.146 31.700 0.019 0.000 1.013 344 V N -1.401 118.533 119.914 0.033 0.000 3.359 344 V HA 0.092 4.209 4.120 -0.006 0.000 0.245 344 V C 2.111 178.213 176.094 0.013 0.000 1.247 344 V CA 0.882 63.198 62.300 0.028 0.000 1.145 344 V CB -0.092 31.762 31.823 0.052 0.000 0.906 344 V HN 0.077 nan 8.190 nan 0.000 0.464 345 K N -0.216 120.191 120.400 0.013 0.000 2.262 345 K HA 0.156 4.472 4.320 -0.006 0.000 0.200 345 K C 0.528 177.123 176.600 -0.009 0.000 1.058 345 K CA 0.610 56.899 56.287 0.004 0.000 0.974 345 K CB 0.640 33.144 32.500 0.006 0.000 0.910 345 K HN 0.301 nan 8.250 nan 0.000 0.484 346 E N 0.575 120.767 120.200 -0.013 0.000 2.378 346 E HA 0.387 4.734 4.350 -0.006 0.000 0.265 346 E C -2.695 173.879 176.600 -0.044 0.000 0.932 346 E CA -2.476 53.898 56.400 -0.043 0.000 0.795 346 E CB 1.668 31.342 29.700 -0.043 0.000 1.296 346 E HN 0.004 nan 8.360 nan 0.000 0.438 347 P HA 0.376 nan 4.420 nan 0.000 0.286 347 P C -0.411 176.922 177.300 0.054 0.000 1.261 347 P CA -0.334 62.722 63.100 -0.073 0.000 0.821 347 P CB 0.648 32.180 31.700 -0.281 0.000 1.013 348 I N 4.415 125.082 120.570 0.162 0.000 2.342 348 I HA 0.257 4.424 4.170 -0.006 0.000 0.291 348 I C -1.953 174.363 176.117 0.331 0.000 1.010 348 I CA -2.493 58.930 61.300 0.204 0.000 1.308 348 I CB 1.202 39.272 38.000 0.117 0.000 1.400 348 I HN 0.147 nan 8.210 nan 0.000 0.488 349 P HA 0.154 nan 4.420 nan 0.000 0.276 349 P C -0.738 176.597 177.300 0.059 0.000 1.243 349 P CA 0.028 63.203 63.100 0.124 0.000 0.768 349 P CB 1.186 32.938 31.700 0.088 0.000 0.856 350 V N 1.289 121.220 119.914 0.029 0.000 3.182 350 V HA 0.937 5.054 4.120 -0.006 0.000 0.308 350 V C -0.808 175.261 176.094 -0.042 0.000 1.240 350 V CA -1.326 60.978 62.300 0.007 0.000 1.063 350 V CB 2.379 34.229 31.823 0.046 0.000 1.076 350 V HN 0.797 nan 8.190 nan 0.000 0.446 351 R N -0.518 119.882 120.500 -0.166 0.000 2.739 351 R HA 0.611 4.948 4.340 -0.006 0.000 0.266 351 R C -3.445 172.599 176.300 -0.427 0.000 1.044 351 R CA -1.509 54.286 56.100 -0.508 0.000 0.885 351 R CB 0.999 30.920 30.300 -0.633 0.000 1.260 351 R HN 0.485 nan 8.270 nan 0.000 0.477 352 P HA 0.083 nan 4.420 nan 0.000 0.265 352 P C -0.934 176.352 177.300 -0.022 0.000 1.187 352 P CA 0.229 63.211 63.100 -0.197 0.000 0.766 352 P CB 0.680 32.246 31.700 -0.223 0.000 0.820 353 T N 1.022 115.636 114.554 0.101 0.000 2.993 353 T HA 0.558 4.904 4.350 -0.006 0.000 0.312 353 T C -0.616 173.907 174.700 -0.294 0.000 1.115 353 T CA -0.529 61.562 62.100 -0.014 0.000 1.027 353 T CB 1.538 70.384 68.868 -0.037 0.000 1.116 353 T HN 0.357 nan 8.240 nan 0.000 0.464 354 A N 1.496 123.882 122.820 -0.724 0.000 2.546 354 A HA 0.377 4.693 4.320 -0.006 0.000 0.243 354 A C 0.539 177.886 177.584 -0.396 0.000 1.063 354 A CA 0.619 51.999 52.037 -1.095 0.000 0.757 354 A CB -0.184 18.040 19.000 -1.294 0.000 0.991 354 A HN 1.119 nan 8.150 nan 0.000 0.503 355 H N 1.053 119.894 119.070 -0.382 0.000 2.312 355 H HA 0.289 4.842 4.556 -0.005 0.000 0.215 355 H C -0.870 174.459 175.328 0.003 0.000 0.870 355 H CA 0.684 56.664 56.048 -0.113 0.000 0.982 355 H CB 0.283 30.057 29.762 0.020 0.000 1.330 355 H HN 0.666 nan 8.280 nan 0.000 0.399 356 Y N 0.982 121.089 120.300 -0.322 0.000 2.477 356 Y HA 0.482 5.029 4.550 -0.006 0.000 0.347 356 Y C -1.049 174.750 175.900 -0.169 0.000 0.981 356 Y CA -0.928 56.977 58.100 -0.324 0.000 1.033 356 Y CB 2.022 40.282 38.460 -0.333 0.000 1.245 356 Y HN 0.044 nan 8.280 nan 0.000 0.455 357 T N 7.557 121.561 114.554 -0.917 0.000 2.747 357 T HA 0.148 4.495 4.350 -0.006 0.000 0.301 357 T C 0.911 175.257 174.700 -0.591 0.000 0.952 357 T CA -0.349 61.416 62.100 -0.558 0.000 0.983 357 T CB 0.673 69.296 68.868 -0.408 0.000 0.930 357 T HN 0.743 nan 8.240 nan 0.000 0.494 358 M N 2.479 122.005 119.600 -0.123 0.000 2.098 358 M HA 0.166 4.643 4.480 -0.006 0.000 0.262 358 M C 1.796 178.134 176.300 0.064 0.000 1.072 358 M CA 0.964 56.329 55.300 0.108 0.000 1.133 358 M CB -0.529 32.202 32.600 0.218 0.000 1.344 358 M HN 0.700 nan 8.290 nan 0.000 0.414 359 G N -0.997 107.839 108.800 0.060 0.000 2.684 359 G HA2 0.472 4.428 3.960 -0.006 0.000 0.255 359 G HA3 0.472 4.428 3.960 -0.006 0.000 0.255 359 G C 0.047 174.915 174.900 -0.054 0.000 1.219 359 G CA -0.029 45.090 45.100 0.031 0.000 0.901 359 G HN 0.637 nan 8.290 nan 0.000 0.548 360 G N -1.620 107.134 108.800 -0.076 0.000 2.317 360 G HA2 0.334 4.290 3.960 -0.006 0.000 0.293 360 G HA3 0.334 4.290 3.960 -0.006 0.000 0.293 360 G C -0.646 174.178 174.900 -0.128 0.000 1.287 360 G CA -0.952 44.084 45.100 -0.107 0.000 0.850 360 G HN 0.752 nan 8.290 nan 0.000 0.515 361 I N 1.496 121.987 120.570 -0.132 0.000 2.742 361 I HA 0.028 4.195 4.170 -0.006 0.000 0.287 361 I C 1.071 177.089 176.117 -0.165 0.000 1.186 361 I CA 0.387 61.599 61.300 -0.147 0.000 1.417 361 I CB 0.587 38.511 38.000 -0.127 0.000 1.377 361 I HN 0.553 nan 8.210 nan 0.000 0.556 362 E N 6.485 126.570 120.200 -0.191 0.000 2.376 362 E HA 0.113 4.460 4.350 -0.006 0.000 0.266 362 E C -0.438 176.048 176.600 -0.189 0.000 1.009 362 E CA -0.090 56.187 56.400 -0.205 0.000 0.902 362 E CB 0.702 30.266 29.700 -0.226 0.000 0.972 362 E HN 0.716 nan 8.360 nan 0.000 0.439 363 T N 1.225 115.663 114.554 -0.193 0.000 2.883 363 T HA 0.305 4.651 4.350 -0.006 0.000 0.301 363 T C -0.453 174.145 174.700 -0.169 0.000 1.158 363 T CA -1.015 60.978 62.100 -0.179 0.000 1.007 363 T CB 1.483 70.254 68.868 -0.162 0.000 1.186 363 T HN 0.488 nan 8.240 nan 0.000 0.499 364 D N 0.846 121.158 120.400 -0.146 0.000 2.469 364 D HA 0.198 4.834 4.640 -0.006 0.000 0.278 364 D C 1.085 177.322 176.300 -0.105 0.000 1.231 364 D CA -0.495 53.436 54.000 -0.116 0.000 1.075 364 D CB 0.125 40.867 40.800 -0.098 0.000 1.121 364 D HN 0.558 nan 8.370 nan 0.000 0.571 365 Q N -1.368 118.383 119.800 -0.082 0.000 2.500 365 Q HA 0.048 4.385 4.340 -0.006 0.000 0.213 365 Q C 0.379 176.330 176.000 -0.082 0.000 0.974 365 Q CA 0.965 56.720 55.803 -0.081 0.000 0.918 365 Q CB -0.433 28.261 28.738 -0.074 0.000 0.980 365 Q HN 0.439 nan 8.270 nan 0.000 0.505 366 N N -1.602 117.073 118.700 -0.041 0.000 2.234 366 N HA 0.169 4.906 4.740 -0.006 0.000 0.227 366 N C -0.748 174.846 175.510 0.140 0.000 1.151 366 N CA -0.021 53.043 53.050 0.023 0.000 0.865 366 N CB 0.807 39.329 38.487 0.059 0.000 1.066 366 N HN 0.104 nan 8.380 nan 0.000 0.515 367 C N 0.416 119.756 119.300 0.066 0.000 4.497 367 C HA -0.173 4.284 4.460 -0.006 0.000 0.268 367 C C 0.640 175.665 174.990 0.060 0.000 1.343 367 C CA 0.161 59.233 59.018 0.091 0.000 1.742 367 C CB -2.514 25.352 27.740 0.211 0.000 1.450 367 C HN 0.569 nan 8.230 nan 0.000 0.733 368 E N 1.080 121.209 120.200 -0.118 0.000 2.277 368 E HA 0.498 4.845 4.350 -0.006 0.000 0.274 368 E C 0.836 177.217 176.600 -0.365 0.000 1.022 368 E CA 0.478 56.548 56.400 -0.549 0.000 0.853 368 E CB 1.160 30.456 29.700 -0.673 0.000 1.086 368 E HN 0.570 nan 8.360 nan 0.000 0.397 369 T N 0.671 114.979 114.554 -0.411 0.000 2.884 369 T HA 0.307 4.654 4.350 -0.006 0.000 0.277 369 T C 0.991 175.546 174.700 -0.242 0.000 0.976 369 T CA -0.578 61.361 62.100 -0.269 0.000 0.956 369 T CB 0.990 69.719 68.868 -0.231 0.000 1.113 369 T HN 0.524 nan 8.240 nan 0.000 0.554 370 R N -0.508 119.895 120.500 -0.162 0.000 2.285 370 R HA 0.193 4.529 4.340 -0.006 0.000 0.213 370 R C 0.245 176.473 176.300 -0.120 0.000 1.068 370 R CA 0.608 56.641 56.100 -0.112 0.000 1.004 370 R CB -0.478 29.793 30.300 -0.048 0.000 0.873 370 R HN 0.571 nan 8.270 nan 0.000 0.467 371 I N 1.784 122.257 120.570 -0.161 0.000 2.304 371 I HA 0.081 4.247 4.170 -0.006 0.000 0.291 371 I C 0.049 175.998 176.117 -0.280 0.000 1.018 371 I CA -0.863 60.333 61.300 -0.173 0.000 1.260 371 I CB 1.273 39.176 38.000 -0.161 0.000 1.390 371 I HN -0.204 nan 8.210 nan 0.000 0.475 372 K N 4.551 124.786 120.400 -0.275 0.000 2.472 372 K HA 0.216 4.532 4.320 -0.006 0.000 0.280 372 K C 0.977 177.153 176.600 -0.707 0.000 1.028 372 K CA 1.366 57.424 56.287 -0.383 0.000 1.045 372 K CB 0.210 32.600 32.500 -0.182 0.000 0.902 372 K HN 0.823 nan 8.250 nan 0.000 0.478 373 G N 2.704 111.193 108.800 -0.520 0.000 2.241 373 G HA2 -0.276 3.680 3.960 -0.006 0.000 0.244 373 G HA3 -0.276 3.680 3.960 -0.006 0.000 0.244 373 G C -0.448 174.383 174.900 -0.114 0.000 0.998 373 G CA 0.147 45.082 45.100 -0.276 0.000 0.621 373 G HN 0.563 nan 8.290 nan 0.000 0.519 374 L N 1.885 122.899 121.223 -0.348 0.000 2.260 374 L HA 0.812 5.148 4.340 -0.006 0.000 0.289 374 L C -0.452 176.188 176.870 -0.383 0.000 1.057 374 L CA -1.061 53.648 54.840 -0.219 0.000 0.811 374 L CB 0.031 41.955 42.059 -0.224 0.000 1.184 374 L HN 0.051 nan 8.230 nan 0.000 0.429 375 F N 3.716 123.599 119.950 -0.110 0.000 2.594 375 F HA 0.883 5.403 4.527 -0.011 0.000 0.335 375 F C 0.255 176.000 175.800 -0.093 0.000 1.058 375 F CA -0.500 57.444 58.000 -0.094 0.000 0.981 375 F CB 1.799 40.754 39.000 -0.074 0.000 1.289 375 F HN 0.556 nan 8.300 nan 0.000 0.490 376 A N 1.002 123.881 122.820 0.100 0.000 2.459 376 A HA 0.731 5.047 4.320 -0.006 0.000 0.296 376 A C -1.905 175.688 177.584 0.015 0.000 1.039 376 A CA -0.698 51.350 52.037 0.017 0.000 0.698 376 A CB 1.600 20.567 19.000 -0.055 0.000 1.261 376 A HN 0.773 nan 8.150 nan 0.000 0.405 377 V N 1.800 121.724 119.914 0.017 0.000 3.130 377 V HA 0.930 5.046 4.120 -0.006 0.000 0.310 377 V C 0.535 176.644 176.094 0.026 0.000 1.158 377 V CA 1.131 63.447 62.300 0.028 0.000 1.029 377 V CB 1.794 33.669 31.823 0.086 0.000 1.057 377 V HN 2.956 nan 8.190 nan 0.000 0.436 378 G N 3.291 112.120 108.800 0.048 0.000 2.615 378 G HA2 -0.213 3.744 3.960 -0.006 0.000 0.218 378 G HA3 -0.213 3.744 3.960 -0.006 0.000 0.218 378 G C 0.461 175.396 174.900 0.059 0.000 1.339 378 G CA 0.593 45.741 45.100 0.080 0.000 0.884 378 G HN 1.188 nan 8.290 nan 0.000 0.559 379 E N -0.508 119.731 120.200 0.066 0.000 2.409 379 E HA -0.100 4.247 4.350 -0.006 0.000 0.198 379 E C 2.468 179.011 176.600 -0.096 0.000 1.024 379 E CA 1.729 58.126 56.400 -0.006 0.000 0.861 379 E CB -0.415 29.265 29.700 -0.032 0.000 0.788 379 E HN 0.844 nan 8.360 nan 0.000 0.521 380 C N -0.065 119.193 119.300 -0.071 0.000 2.562 380 C HA 0.226 4.682 4.460 -0.006 0.000 0.266 380 C C 1.456 176.387 174.990 -0.098 0.000 1.382 380 C CA -0.208 58.752 59.018 -0.097 0.000 1.742 380 C CB -1.306 26.378 27.740 -0.092 0.000 1.812 380 C HN 0.228 nan 8.230 nan 0.000 0.559 381 S N 0.058 115.708 115.700 -0.085 0.000 2.786 381 S HA 0.650 5.116 4.470 -0.006 0.000 0.307 381 S C -0.264 174.265 174.600 -0.119 0.000 1.121 381 S CA -0.073 58.062 58.200 -0.107 0.000 0.975 381 S CB 1.368 64.501 63.200 -0.113 0.000 1.220 381 S HN 0.437 nan 8.310 nan 0.000 0.550 382 S N 0.651 116.256 115.700 -0.159 0.000 2.216 382 S HA 0.281 4.747 4.470 -0.006 0.000 0.156 382 S C 0.472 174.917 174.600 -0.258 0.000 1.665 382 S CA -0.304 57.787 58.200 -0.181 0.000 1.262 382 S CB -0.352 62.750 63.200 -0.162 0.000 1.207 382 S HN 1.121 nan 8.310 nan 0.000 0.427 383 V N 1.122 120.825 119.914 -0.352 0.000 3.141 383 V HA 0.343 4.460 4.120 -0.006 0.000 0.265 383 V C 1.523 177.397 176.094 -0.367 0.000 1.126 383 V CA 0.947 62.987 62.300 -0.434 0.000 1.141 383 V CB -1.286 30.053 31.823 -0.806 0.000 0.743 383 V HN 1.270 nan 8.190 nan 0.000 0.492 384 G N 0.275 108.876 108.800 -0.331 0.000 2.164 384 G HA2 -0.211 3.745 3.960 -0.006 0.000 0.212 384 G HA3 -0.211 3.745 3.960 -0.006 0.000 0.212 384 G C 0.131 174.871 174.900 -0.266 0.000 1.031 384 G CA 0.349 45.309 45.100 -0.233 0.000 0.730 384 G HN 0.634 nan 8.290 nan 0.000 0.501 385 L N -0.768 120.176 121.223 -0.465 0.000 2.221 385 L HA 0.398 4.734 4.340 -0.006 0.000 0.202 385 L C 2.161 178.691 176.870 -0.566 0.000 1.074 385 L CA 1.811 56.283 54.840 -0.613 0.000 0.795 385 L CB -0.189 41.258 42.059 -1.019 0.000 0.960 385 L HN 0.308 nan 8.230 nan 0.000 0.458 386 H N -0.183 118.768 119.070 -0.197 0.000 2.544 386 H HA 0.375 4.928 4.556 -0.006 0.000 0.269 386 H C 1.458 176.687 175.328 -0.164 0.000 0.970 386 H CA 0.404 56.359 56.048 -0.154 0.000 1.219 386 H CB -0.289 29.432 29.762 -0.069 0.000 1.421 386 H HN 0.415 nan 8.280 nan 0.000 0.555 387 G N 1.003 109.748 108.800 -0.091 0.000 2.566 387 G HA2 -0.350 3.607 3.960 -0.006 0.000 0.280 387 G HA3 -0.350 3.607 3.960 -0.006 0.000 0.280 387 G C 0.992 175.675 174.900 -0.361 0.000 1.225 387 G CA 0.978 45.965 45.100 -0.188 0.000 0.966 387 G HN 0.584 nan 8.290 nan 0.000 0.560 388 A N 0.061 122.555 122.820 -0.544 0.000 2.370 388 A HA 0.545 4.862 4.320 -0.006 0.000 0.238 388 A C 0.745 178.172 177.584 -0.262 0.000 1.289 388 A CA 1.220 52.700 52.037 -0.928 0.000 0.885 388 A CB -0.313 18.153 19.000 -0.889 0.000 0.961 388 A HN 1.263 nan 8.150 nan 0.000 0.499 389 N N -0.370 118.261 118.700 -0.115 0.000 4.296 389 N HA 0.049 4.786 4.740 -0.006 0.000 0.183 389 N C -1.032 174.474 175.510 -0.007 0.000 1.159 389 N CA -0.331 52.718 53.050 -0.003 0.000 0.980 389 N CB 0.842 39.332 38.487 0.005 0.000 1.621 389 N HN 0.463 nan 8.380 nan 0.000 0.861 390 R N 1.857 122.345 120.500 -0.020 0.000 2.643 390 R HA 0.249 4.586 4.340 -0.006 0.000 0.270 390 R C -0.476 175.783 176.300 -0.069 0.000 1.061 390 R CA -0.218 55.803 56.100 -0.132 0.000 1.107 390 R CB 0.530 30.506 30.300 -0.540 0.000 0.999 390 R HN 0.419 nan 8.270 nan 0.000 0.460 391 L N 3.329 124.546 121.223 -0.009 0.000 2.292 391 L HA 0.338 4.674 4.340 -0.006 0.000 0.284 391 L C 0.221 177.121 176.870 0.049 0.000 1.065 391 L CA 0.344 55.215 54.840 0.052 0.000 0.806 391 L CB 1.387 43.521 42.059 0.124 0.000 1.175 391 L HN 0.809 nan 8.230 nan 0.000 0.431 392 G N 3.026 111.876 108.800 0.084 0.000 2.224 392 G HA2 0.310 4.266 3.960 -0.006 0.000 0.239 392 G HA3 0.310 4.266 3.960 -0.006 0.000 0.239 392 G C 0.714 175.687 174.900 0.123 0.000 1.240 392 G CA 0.511 45.685 45.100 0.123 0.000 0.896 392 G HN 1.685 nan 8.290 nan 0.000 0.496 393 S N 0.541 116.267 115.700 0.043 0.000 3.018 393 S HA -0.263 4.204 4.470 -0.006 0.000 0.274 393 S C 1.219 175.901 174.600 0.136 0.000 1.300 393 S CA 1.134 59.351 58.200 0.028 0.000 1.179 393 S CB -1.732 61.456 63.200 -0.020 0.000 1.427 393 S HN 0.645 nan 8.310 nan 0.000 0.668 394 N N 1.344 120.146 118.700 0.171 0.000 2.416 394 N HA 0.189 4.926 4.740 -0.006 0.000 0.177 394 N C 1.675 177.352 175.510 0.278 0.000 1.036 394 N CA 1.149 54.408 53.050 0.348 0.000 0.901 394 N CB -0.201 38.505 38.487 0.364 0.000 0.976 394 N HN 0.658 nan 8.380 nan 0.000 0.444 395 S N 0.226 115.951 115.700 0.042 0.000 2.355 395 S HA 0.063 4.530 4.470 -0.006 0.000 0.222 395 S C 1.853 176.549 174.600 0.160 0.000 1.031 395 S CA 0.662 58.875 58.200 0.023 0.000 0.993 395 S CB -0.217 62.841 63.200 -0.237 0.000 0.859 395 S HN 0.219 nan 8.310 nan 0.000 0.453 396 L N 1.195 122.502 121.223 0.140 0.000 2.046 396 L HA -0.060 4.276 4.340 -0.006 0.000 0.208 396 L C 3.000 179.997 176.870 0.213 0.000 1.077 396 L CA 1.198 56.139 54.840 0.167 0.000 0.747 396 L CB -0.741 41.408 42.059 0.151 0.000 0.896 396 L HN 0.440 nan 8.230 nan 0.000 0.432 397 A N 0.019 122.988 122.820 0.247 0.000 1.883 397 A HA -0.297 4.019 4.320 -0.006 0.000 0.217 397 A C 2.256 180.094 177.584 0.423 0.000 1.186 397 A CA 2.033 54.229 52.037 0.265 0.000 0.624 397 A CB -0.642 18.533 19.000 0.291 0.000 0.822 397 A HN 0.516 nan 8.150 nan 0.000 0.444 398 E N 0.108 120.640 120.200 0.554 0.000 2.070 398 E HA -0.229 4.117 4.350 -0.006 0.000 0.197 398 E C 1.930 178.784 176.600 0.423 0.000 1.004 398 E CA 1.534 58.265 56.400 0.552 0.000 0.805 398 E CB -0.347 29.550 29.700 0.329 0.000 0.744 398 E HN 0.635 nan 8.360 nan 0.000 0.451 399 L N 0.671 122.072 121.223 0.295 0.000 1.990 399 L HA -0.233 4.104 4.340 -0.006 0.000 0.213 399 L C 2.839 179.836 176.870 0.212 0.000 1.072 399 L CA 1.876 56.854 54.840 0.230 0.000 0.755 399 L CB -0.981 41.186 42.059 0.180 0.000 0.889 399 L HN 0.274 nan 8.230 nan 0.000 0.432 400 V N -4.458 115.571 119.914 0.192 0.000 2.649 400 V HA -0.053 4.064 4.120 -0.006 0.000 0.248 400 V C 2.245 178.402 176.094 0.106 0.000 1.054 400 V CA 0.812 63.202 62.300 0.150 0.000 1.073 400 V CB -0.230 31.676 31.823 0.138 0.000 0.699 400 V HN 0.166 nan 8.190 nan 0.000 0.463 401 V N 0.180 120.156 119.914 0.104 0.000 2.270 401 V HA -0.116 4.000 4.120 -0.006 0.000 0.245 401 V C 2.365 178.380 176.094 -0.131 0.000 1.043 401 V CA 2.465 64.738 62.300 -0.046 0.000 1.014 401 V CB -0.770 31.011 31.823 -0.070 0.000 0.645 401 V HN 0.520 nan 8.190 nan 0.000 0.447 402 F N 0.844 120.896 119.950 0.171 0.000 2.710 402 F HA 0.189 4.712 4.527 -0.007 0.000 0.298 402 F C 2.220 178.056 175.800 0.061 0.000 1.137 402 F CA 0.826 58.889 58.000 0.106 0.000 1.444 402 F CB -0.839 38.200 39.000 0.066 0.000 1.111 402 F HN 0.179 nan 8.300 nan 0.000 0.580 403 G N -0.030 108.894 108.800 0.206 0.000 2.408 403 G HA2 -0.199 3.757 3.960 -0.006 0.000 0.217 403 G HA3 -0.199 3.757 3.960 -0.006 0.000 0.217 403 G C 1.876 176.817 174.900 0.068 0.000 1.150 403 G CA 0.281 45.456 45.100 0.126 0.000 0.776 403 G HN 0.191 nan 8.290 nan 0.000 0.542 404 R N -0.372 120.167 120.500 0.064 0.000 2.066 404 R HA 0.004 4.341 4.340 -0.006 0.000 0.232 404 R C 2.474 178.777 176.300 0.006 0.000 1.131 404 R CA 1.242 57.363 56.100 0.034 0.000 0.955 404 R CB -0.474 29.850 30.300 0.041 0.000 0.851 404 R HN 0.347 nan 8.270 nan 0.000 0.432 405 L N 1.047 122.277 121.223 0.012 0.000 2.012 405 L HA -0.132 4.204 4.340 -0.006 0.000 0.210 405 L C 2.390 179.245 176.870 -0.026 0.000 1.073 405 L CA 2.267 57.104 54.840 -0.005 0.000 0.748 405 L CB -0.838 41.214 42.059 -0.012 0.000 0.891 405 L HN 0.250 nan 8.230 nan 0.000 0.431 406 A N -0.653 122.170 122.820 0.005 0.000 1.883 406 A HA -0.157 4.159 4.320 -0.006 0.000 0.217 406 A C 2.359 179.800 177.584 -0.239 0.000 1.186 406 A CA 1.869 53.851 52.037 -0.092 0.000 0.624 406 A CB -1.667 17.325 19.000 -0.013 0.000 0.822 406 A HN 0.550 nan 8.150 nan 0.000 0.444 407 G N -0.755 107.958 108.800 -0.145 0.000 2.446 407 G HA2 -0.222 3.735 3.960 -0.006 0.000 0.217 407 G HA3 -0.222 3.735 3.960 -0.006 0.000 0.217 407 G C 1.459 176.253 174.900 -0.177 0.000 1.168 407 G CA 1.110 46.112 45.100 -0.164 0.000 0.771 407 G HN 0.654 nan 8.290 nan 0.000 0.551 408 E N -0.183 119.940 120.200 -0.128 0.000 2.017 408 E HA -0.123 4.224 4.350 -0.006 0.000 0.193 408 E C 2.809 179.327 176.600 -0.137 0.000 0.997 408 E CA 1.002 57.341 56.400 -0.102 0.000 0.804 408 E CB -0.075 29.593 29.700 -0.052 0.000 0.757 408 E HN 0.221 nan 8.360 nan 0.000 0.448 409 Q N -0.036 119.665 119.800 -0.164 0.000 2.135 409 Q HA -0.144 4.192 4.340 -0.006 0.000 0.204 409 Q C 2.111 177.907 176.000 -0.340 0.000 0.981 409 Q CA 1.436 57.146 55.803 -0.154 0.000 0.856 409 Q CB -0.356 28.360 28.738 -0.037 0.000 0.902 409 Q HN 0.272 nan 8.270 nan 0.000 0.425 410 A N 0.108 122.507 122.820 -0.703 0.000 1.930 410 A HA -0.128 4.188 4.320 -0.006 0.000 0.217 410 A C 2.363 179.784 177.584 -0.272 0.000 1.175 410 A CA 1.783 53.346 52.037 -0.790 0.000 0.627 410 A CB -0.756 17.751 19.000 -0.822 0.000 0.815 410 A HN 0.349 nan 8.150 nan 0.000 0.443 411 T N -0.081 114.351 114.554 -0.205 0.000 2.652 411 T HA -0.173 4.173 4.350 -0.006 0.000 0.267 411 T C 1.824 176.492 174.700 -0.053 0.000 1.039 411 T CA 1.869 63.907 62.100 -0.105 0.000 1.153 411 T CB -0.248 68.564 68.868 -0.093 0.000 0.863 411 T HN 0.651 nan 8.240 nan 0.000 0.428 412 E N 0.207 120.381 120.200 -0.045 0.000 2.031 412 E HA -0.155 4.191 4.350 -0.006 0.000 0.193 412 E C 2.490 179.110 176.600 0.034 0.000 0.994 412 E CA 0.913 57.312 56.400 -0.001 0.000 0.800 412 E CB -0.117 29.589 29.700 0.009 0.000 0.752 412 E HN 0.060 nan 8.360 nan 0.000 0.447 413 R N 1.079 121.617 120.500 0.063 0.000 2.117 413 R HA -0.134 4.202 4.340 -0.006 0.000 0.243 413 R C 1.821 178.200 176.300 0.132 0.000 1.143 413 R CA 1.752 57.939 56.100 0.145 0.000 0.968 413 R CB -0.679 29.799 30.300 0.296 0.000 0.863 413 R HN 0.169 nan 8.270 nan 0.000 0.444 414 A N -0.660 122.209 122.820 0.081 0.000 2.119 414 A HA 0.199 4.515 4.320 -0.006 0.000 0.216 414 A C 2.107 179.719 177.584 0.047 0.000 1.152 414 A CA 1.153 53.235 52.037 0.075 0.000 0.708 414 A CB -0.465 18.558 19.000 0.038 0.000 0.805 414 A HN 0.423 nan 8.150 nan 0.000 0.460 415 A N -0.475 122.366 122.820 0.034 0.000 2.072 415 A HA 0.109 4.426 4.320 -0.006 0.000 0.216 415 A C 1.979 179.576 177.584 0.022 0.000 1.156 415 A CA 1.774 53.823 52.037 0.021 0.000 0.701 415 A CB -0.516 18.492 19.000 0.013 0.000 0.816 415 A HN 0.681 nan 8.150 nan 0.000 0.458 416 T N -4.559 110.016 114.554 0.035 0.000 3.084 416 T HA 0.539 4.885 4.350 -0.006 0.000 0.270 416 T C 1.501 176.216 174.700 0.025 0.000 1.008 416 T CA 0.765 62.882 62.100 0.028 0.000 0.900 416 T CB 0.350 69.240 68.868 0.037 0.000 1.084 416 T HN 0.338 nan 8.240 nan 0.000 0.538 417 A N 1.977 124.814 122.820 0.028 0.000 1.858 417 A HA 0.495 4.812 4.320 -0.006 0.000 0.216 417 A C 1.732 179.245 177.584 -0.119 0.000 1.190 417 A CA 1.007 53.028 52.037 -0.027 0.000 0.617 417 A CB -1.394 17.598 19.000 -0.013 0.000 0.827 417 A HN 1.740 nan 8.150 nan 0.000 0.443 418 G N -1.217 107.534 108.800 -0.081 0.000 2.755 418 G HA2 -0.146 3.810 3.960 -0.006 0.000 0.686 418 G HA3 -0.146 3.810 3.960 -0.006 0.000 0.686 418 G C -0.547 174.281 174.900 -0.120 0.000 1.427 418 G CA -0.220 44.829 45.100 -0.084 0.000 0.873 418 G HN 0.654 nan 8.290 nan 0.000 0.580 419 N N 0.055 118.704 118.700 -0.084 0.000 2.399 419 N HA 0.549 5.285 4.740 -0.006 0.000 0.250 419 N C 0.774 176.230 175.510 -0.091 0.000 1.272 419 N CA 0.754 53.757 53.050 -0.078 0.000 0.928 419 N CB 1.305 39.764 38.487 -0.045 0.000 1.158 419 N HN 1.084 nan 8.380 nan 0.000 0.463 420 G N -0.328 108.429 108.800 -0.071 0.000 2.788 420 G HA2 0.086 4.042 3.960 -0.006 0.000 0.293 420 G HA3 0.086 4.042 3.960 -0.006 0.000 0.293 420 G C -0.441 174.441 174.900 -0.029 0.000 1.305 420 G CA -0.517 44.549 45.100 -0.057 0.000 1.005 420 G HN 0.518 nan 8.290 nan 0.000 0.496 421 N N 0.295 118.984 118.700 -0.018 0.000 2.400 421 N HA -0.024 4.712 4.740 -0.006 0.000 0.267 421 N C 1.147 176.654 175.510 -0.005 0.000 1.208 421 N CA -0.088 52.956 53.050 -0.010 0.000 0.951 421 N CB 1.370 39.854 38.487 -0.005 0.000 1.227 421 N HN 0.612 nan 8.380 nan 0.000 0.488 422 E N 4.254 124.451 120.200 -0.006 0.000 2.114 422 E HA -0.215 4.131 4.350 -0.006 0.000 0.199 422 E C 1.505 178.105 176.600 0.001 0.000 1.008 422 E CA 2.073 58.471 56.400 -0.003 0.000 0.810 422 E CB -0.148 29.549 29.700 -0.005 0.000 0.739 422 E HN 0.687 nan 8.360 nan 0.000 0.456 423 A N 0.370 123.190 122.820 0.001 0.000 1.930 423 A HA 0.048 4.364 4.320 -0.006 0.000 0.217 423 A C 2.409 179.997 177.584 0.006 0.000 1.175 423 A CA 1.855 53.893 52.037 0.003 0.000 0.627 423 A CB -0.879 18.122 19.000 0.001 0.000 0.815 423 A HN 0.401 nan 8.150 nan 0.000 0.443 424 A N 0.249 123.073 122.820 0.007 0.000 1.877 424 A HA -0.073 4.244 4.320 -0.006 0.000 0.216 424 A C 2.113 179.707 177.584 0.016 0.000 1.186 424 A CA 1.489 53.533 52.037 0.012 0.000 0.620 424 A CB -0.625 18.382 19.000 0.012 0.000 0.822 424 A HN 0.487 nan 8.150 nan 0.000 0.443 425 I N -0.733 119.846 120.570 0.014 0.000 2.099 425 I HA -0.271 3.895 4.170 -0.006 0.000 0.239 425 I C 2.576 178.703 176.117 0.018 0.000 1.066 425 I CA 1.975 63.285 61.300 0.017 0.000 1.324 425 I CB -0.467 37.541 38.000 0.012 0.000 1.037 425 I HN 0.379 nan 8.210 nan 0.000 0.401 426 E N 1.273 121.481 120.200 0.013 0.000 2.160 426 E HA -0.223 4.123 4.350 -0.006 0.000 0.195 426 E C 2.015 178.625 176.600 0.016 0.000 0.991 426 E CA 1.607 58.015 56.400 0.013 0.000 0.810 426 E CB -0.135 29.569 29.700 0.008 0.000 0.742 426 E HN 0.465 nan 8.360 nan 0.000 0.466 427 A N 0.173 123.003 122.820 0.016 0.000 1.930 427 A HA -0.172 4.144 4.320 -0.006 0.000 0.217 427 A C 2.107 179.706 177.584 0.025 0.000 1.175 427 A CA 1.274 53.321 52.037 0.017 0.000 0.627 427 A CB -0.413 18.596 19.000 0.015 0.000 0.815 427 A HN 0.213 nan 8.150 nan 0.000 0.443 428 Q N -0.358 119.460 119.800 0.031 0.000 2.061 428 Q HA -0.194 4.142 4.340 -0.006 0.000 0.204 428 Q C 2.476 178.502 176.000 0.044 0.000 0.984 428 Q CA 1.768 57.598 55.803 0.045 0.000 0.846 428 Q CB -0.638 28.130 28.738 0.051 0.000 0.902 428 Q HN 0.655 nan 8.270 nan 0.000 0.421 429 A N 0.948 123.789 122.820 0.035 0.000 1.902 429 A HA -0.090 4.226 4.320 -0.006 0.000 0.217 429 A C 2.307 179.909 177.584 0.031 0.000 1.181 429 A CA 1.898 53.955 52.037 0.034 0.000 0.623 429 A CB -0.646 18.371 19.000 0.029 0.000 0.818 429 A HN 0.384 nan 8.150 nan 0.000 0.443 430 A N -0.547 122.288 122.820 0.025 0.000 2.015 430 A HA 0.168 4.485 4.320 -0.006 0.000 0.219 430 A C 2.321 179.918 177.584 0.021 0.000 1.163 430 A CA 1.759 53.808 52.037 0.020 0.000 0.646 430 A CB -1.204 17.805 19.000 0.015 0.000 0.806 430 A HN 0.680 nan 8.150 nan 0.000 0.448 431 G N -0.326 108.489 108.800 0.026 0.000 2.421 431 G HA2 -0.123 3.833 3.960 -0.006 0.000 0.216 431 G HA3 -0.123 3.833 3.960 -0.006 0.000 0.216 431 G C 1.517 176.435 174.900 0.029 0.000 1.171 431 G CA 1.241 46.356 45.100 0.026 0.000 0.775 431 G HN 0.294 nan 8.290 nan 0.000 0.543 432 V N 0.768 120.706 119.914 0.040 0.000 2.287 432 V HA -0.220 3.897 4.120 -0.006 0.000 0.248 432 V C 2.594 178.708 176.094 0.034 0.000 1.053 432 V CA 2.398 64.726 62.300 0.046 0.000 1.027 432 V CB -0.549 31.309 31.823 0.059 0.000 0.646 432 V HN 0.569 nan 8.190 nan 0.000 0.447 433 E N -0.326 119.891 120.200 0.029 0.000 2.085 433 E HA -0.345 4.001 4.350 -0.006 0.000 0.194 433 E C 2.258 178.864 176.600 0.010 0.000 0.994 433 E CA 1.835 58.246 56.400 0.019 0.000 0.801 433 E CB -0.086 29.625 29.700 0.018 0.000 0.743 433 E HN 0.582 nan 8.360 nan 0.000 0.453 434 Q N 0.776 120.583 119.800 0.010 0.000 2.050 434 Q HA -0.130 4.207 4.340 -0.006 0.000 0.202 434 Q C 2.042 178.044 176.000 0.002 0.000 0.980 434 Q CA 1.703 57.508 55.803 0.004 0.000 0.840 434 Q CB -0.102 28.639 28.738 0.005 0.000 0.898 434 Q HN 0.149 nan 8.270 nan 0.000 0.424 435 R N -0.668 119.837 120.500 0.008 0.000 2.105 435 R HA -0.140 4.196 4.340 -0.006 0.000 0.239 435 R C 2.182 178.484 176.300 0.002 0.000 1.135 435 R CA 1.315 57.419 56.100 0.008 0.000 0.967 435 R CB -0.438 29.872 30.300 0.016 0.000 0.861 435 R HN 0.309 nan 8.270 nan 0.000 0.442 436 L N 1.472 122.696 121.223 0.002 0.000 2.046 436 L HA -0.174 4.162 4.340 -0.006 0.000 0.208 436 L C 1.654 178.507 176.870 -0.027 0.000 1.077 436 L CA 1.854 56.687 54.840 -0.012 0.000 0.747 436 L CB -0.195 41.858 42.059 -0.010 0.000 0.896 436 L HN -0.013 nan 8.230 nan 0.000 0.432 437 K N -0.548 119.840 120.400 -0.021 0.000 2.097 437 K HA -0.156 4.161 4.320 -0.006 0.000 0.206 437 K C 1.738 178.321 176.600 -0.030 0.000 1.049 437 K CA 1.441 57.713 56.287 -0.027 0.000 0.933 437 K CB -0.346 32.142 32.500 -0.019 0.000 0.717 437 K HN 0.371 nan 8.250 nan 0.000 0.442 438 D N 1.235 121.622 120.400 -0.022 0.000 2.123 438 D HA -0.173 4.464 4.640 -0.006 0.000 0.196 438 D C 1.851 178.129 176.300 -0.037 0.000 0.992 438 D CA 0.877 54.862 54.000 -0.024 0.000 0.833 438 D CB -0.213 40.579 40.800 -0.013 0.000 0.954 438 D HN 0.049 nan 8.370 nan 0.000 0.455 439 L N 0.421 121.620 121.223 -0.039 0.000 2.093 439 L HA -0.103 4.234 4.340 -0.006 0.000 0.208 439 L C 2.120 178.939 176.870 -0.086 0.000 1.085 439 L CA 1.078 55.881 54.840 -0.062 0.000 0.755 439 L CB -0.149 41.883 42.059 -0.046 0.000 0.904 439 L HN -0.142 nan 8.230 nan 0.000 0.435 440 V N 0.279 120.148 119.914 -0.075 0.000 2.427 440 V HA -0.215 3.901 4.120 -0.006 0.000 0.248 440 V C 1.975 178.027 176.094 -0.070 0.000 1.051 440 V CA 1.814 64.065 62.300 -0.081 0.000 1.048 440 V CB -0.876 30.905 31.823 -0.071 0.000 0.666 440 V HN 0.530 nan 8.190 nan 0.000 0.456 441 N N -0.185 118.481 118.700 -0.057 0.000 2.467 441 N HA -0.012 4.725 4.740 -0.006 0.000 0.184 441 N C 0.999 176.478 175.510 -0.052 0.000 1.106 441 N CA 0.145 53.166 53.050 -0.048 0.000 0.892 441 N CB -0.114 38.351 38.487 -0.037 0.000 0.969 441 N HN 0.636 nan 8.380 nan 0.000 0.454 442 Q N 1.682 121.442 119.800 -0.066 0.000 2.330 442 Q HA 0.020 4.357 4.340 -0.006 0.000 0.279 442 Q C -0.891 175.064 176.000 -0.074 0.000 1.024 442 Q CA 0.249 56.007 55.803 -0.075 0.000 0.900 442 Q CB 0.410 29.085 28.738 -0.106 0.000 1.221 442 Q HN 0.298 nan 8.270 nan 0.000 0.396 443 D N 1.362 121.725 120.400 -0.061 0.000 2.531 443 D HA 0.723 5.359 4.640 -0.006 0.000 0.244 443 D C 0.186 176.455 176.300 -0.051 0.000 1.090 443 D CA -0.252 53.716 54.000 -0.053 0.000 0.989 443 D CB 1.606 42.383 40.800 -0.038 0.000 1.433 443 D HN 0.537 nan 8.370 nan 0.000 0.492 444 G N -1.805 106.969 108.800 -0.043 0.000 4.080 444 G HA2 0.360 4.316 3.960 -0.006 0.000 0.219 444 G HA3 0.360 4.316 3.960 -0.006 0.000 0.219 444 G C 1.050 175.932 174.900 -0.030 0.000 0.843 444 G CA 0.230 45.308 45.100 -0.037 0.000 0.856 444 G HN 1.643 nan 8.290 nan 0.000 0.616 445 G N -0.072 108.711 108.800 -0.029 0.000 2.155 445 G HA2 -0.258 3.699 3.960 -0.006 0.000 0.257 445 G HA3 -0.258 3.699 3.960 -0.006 0.000 0.257 445 G C 0.046 174.937 174.900 -0.014 0.000 0.983 445 G CA 0.827 45.916 45.100 -0.018 0.000 0.676 445 G HN 0.608 nan 8.290 nan 0.000 0.528 446 E N 0.201 120.389 120.200 -0.020 0.000 2.301 446 E HA 0.291 4.638 4.350 -0.006 0.000 0.275 446 E C -0.026 176.577 176.600 0.006 0.000 1.030 446 E CA -0.726 55.666 56.400 -0.014 0.000 0.852 446 E CB 1.005 30.691 29.700 -0.023 0.000 1.060 446 E HN 0.240 nan 8.360 nan 0.000 0.401 447 N N 3.874 122.577 118.700 0.005 0.000 2.414 447 N HA 0.000 4.737 4.740 -0.006 0.000 0.256 447 N C 1.209 176.720 175.510 0.002 0.000 1.029 447 N CA -0.485 52.577 53.050 0.020 0.000 0.948 447 N CB 0.346 38.813 38.487 -0.034 0.000 1.102 447 N HN 0.583 nan 8.380 nan 0.000 0.496 448 W N 4.545 125.834 121.300 -0.017 0.000 2.304 448 W HA -0.251 4.407 4.660 -0.005 0.000 0.315 448 W C 0.928 177.472 176.519 0.041 0.000 1.233 448 W CA 1.533 58.890 57.345 0.019 0.000 1.261 448 W CB -1.401 28.078 29.460 0.031 0.000 1.150 448 W HN 0.553 nan 8.180 nan 0.000 0.494 449 A N 1.864 123.768 122.820 -1.526 0.000 1.948 449 A HA -0.225 4.091 4.320 -0.006 0.000 0.220 449 A C 2.047 179.269 177.584 -0.603 0.000 1.177 449 A CA 2.300 53.512 52.037 -1.375 0.000 0.636 449 A CB -0.638 17.773 19.000 -0.982 0.000 0.815 449 A HN 0.206 nan 8.150 nan 0.000 0.449 450 K N -0.334 119.851 120.400 -0.357 0.000 2.228 450 K HA 0.126 4.443 4.320 -0.006 0.000 0.202 450 K C 1.697 178.204 176.600 -0.156 0.000 1.051 450 K CA 0.762 56.925 56.287 -0.208 0.000 0.960 450 K CB -0.464 31.957 32.500 -0.130 0.000 0.743 450 K HN 0.627 nan 8.250 nan 0.000 0.458 451 I N 0.709 121.203 120.570 -0.128 0.000 2.286 451 I HA -0.202 3.964 4.170 -0.006 0.000 0.245 451 I C 2.765 178.839 176.117 -0.071 0.000 1.104 451 I CA 0.803 62.080 61.300 -0.039 0.000 1.397 451 I CB -0.202 37.848 38.000 0.084 0.000 1.072 451 I HN 0.145 nan 8.210 nan 0.000 0.417 452 R N 1.265 121.681 120.500 -0.140 0.000 2.097 452 R HA -0.240 4.096 4.340 -0.006 0.000 0.236 452 R C 1.859 178.057 176.300 -0.171 0.000 1.135 452 R CA 2.442 58.447 56.100 -0.159 0.000 0.934 452 R CB -0.355 29.732 30.300 -0.355 0.000 0.846 452 R HN 0.311 nan 8.270 nan 0.000 0.431 453 D N 0.247 120.521 120.400 -0.209 0.000 2.149 453 D HA -0.163 4.474 4.640 -0.006 0.000 0.198 453 D C 1.808 178.023 176.300 -0.141 0.000 0.990 453 D CA 1.410 55.304 54.000 -0.177 0.000 0.839 453 D CB -0.195 40.503 40.800 -0.170 0.000 0.948 453 D HN 0.496 nan 8.370 nan 0.000 0.460 454 E N 0.040 120.170 120.200 -0.115 0.000 2.152 454 E HA -0.082 4.264 4.350 -0.006 0.000 0.192 454 E C 2.094 178.635 176.600 -0.098 0.000 0.983 454 E CA 0.224 56.569 56.400 -0.091 0.000 0.818 454 E CB -0.068 29.592 29.700 -0.066 0.000 0.758 454 E HN 0.240 nan 8.360 nan 0.000 0.467 455 M N 0.546 120.086 119.600 -0.101 0.000 2.080 455 M HA -0.122 4.354 4.480 -0.006 0.000 0.260 455 M C 2.206 178.408 176.300 -0.164 0.000 1.068 455 M CA 2.207 57.437 55.300 -0.115 0.000 1.109 455 M CB -0.321 32.220 32.600 -0.098 0.000 1.342 455 M HN 0.137 nan 8.290 nan 0.000 0.405 456 G N 0.783 109.482 108.800 -0.168 0.000 2.440 456 G HA2 -0.201 3.756 3.960 -0.006 0.000 0.218 456 G HA3 -0.201 3.756 3.960 -0.006 0.000 0.218 456 G C 1.447 176.230 174.900 -0.195 0.000 1.154 456 G CA 1.017 45.996 45.100 -0.202 0.000 0.767 456 G HN 0.488 nan 8.290 nan 0.000 0.552 457 L N 0.536 121.665 121.223 -0.156 0.000 2.093 457 L HA -0.039 4.297 4.340 -0.006 0.000 0.208 457 L C 3.407 180.227 176.870 -0.084 0.000 1.085 457 L CA 0.889 55.663 54.840 -0.109 0.000 0.755 457 L CB -0.386 41.625 42.059 -0.080 0.000 0.904 457 L HN 0.325 nan 8.230 nan 0.000 0.435 458 A N -0.192 122.564 122.820 -0.106 0.000 1.877 458 A HA -0.212 4.104 4.320 -0.006 0.000 0.216 458 A C 2.266 179.773 177.584 -0.129 0.000 1.186 458 A CA 1.494 53.472 52.037 -0.097 0.000 0.620 458 A CB -0.364 18.575 19.000 -0.102 0.000 0.822 458 A HN 0.259 nan 8.150 nan 0.000 0.443 459 M N -0.721 118.733 119.600 -0.242 0.000 2.213 459 M HA -0.110 4.366 4.480 -0.006 0.000 0.263 459 M C 1.892 178.069 176.300 -0.205 0.000 1.062 459 M CA 1.686 56.739 55.300 -0.413 0.000 1.105 459 M CB -1.256 30.782 32.600 -0.938 0.000 1.385 459 M HN 0.535 nan 8.290 nan 0.000 0.417 460 E N 0.535 120.704 120.200 -0.052 0.000 2.046 460 E HA -0.146 4.200 4.350 -0.006 0.000 0.190 460 E C 1.941 178.635 176.600 0.156 0.000 0.982 460 E CA 1.428 57.943 56.400 0.192 0.000 0.800 460 E CB -0.043 29.750 29.700 0.156 0.000 0.756 460 E HN 0.573 nan 8.360 nan 0.000 0.449 461 E N -1.290 118.953 120.200 0.072 0.000 2.051 461 E HA -0.062 4.284 4.350 -0.006 0.000 0.189 461 E C 1.827 178.463 176.600 0.061 0.000 0.979 461 E CA 1.072 57.513 56.400 0.068 0.000 0.803 461 E CB -0.251 29.474 29.700 0.041 0.000 0.761 461 E HN 0.314 nan 8.360 nan 0.000 0.451 462 G N -0.649 108.167 108.800 0.026 0.000 2.595 462 G HA2 -0.080 3.876 3.960 -0.006 0.000 0.213 462 G HA3 -0.080 3.876 3.960 -0.006 0.000 0.213 462 G C 0.820 175.738 174.900 0.030 0.000 1.141 462 G CA 0.273 45.383 45.100 0.015 0.000 0.806 462 G HN 0.306 nan 8.290 nan 0.000 0.530 463 C N 1.740 121.076 119.300 0.061 0.000 2.667 463 C HA 0.637 5.093 4.460 -0.006 0.000 0.261 463 C C 1.380 176.536 174.990 0.277 0.000 1.590 463 C CA -0.888 58.206 59.018 0.127 0.000 1.668 463 C CB -0.605 27.196 27.740 0.101 0.000 2.962 463 C HN 0.408 nan 8.230 nan 0.000 0.525 464 G N 0.120 109.016 108.800 0.160 0.000 2.702 464 G HA2 0.495 4.452 3.960 -0.006 0.000 0.254 464 G HA3 0.495 4.452 3.960 -0.006 0.000 0.254 464 G C 1.010 175.738 174.900 -0.288 0.000 1.380 464 G CA -0.460 44.662 45.100 0.037 0.000 1.042 464 G HN 0.257 nan 8.290 nan 0.000 0.557 465 I N -1.102 119.061 120.570 -0.678 0.000 2.143 465 I HA -0.179 3.988 4.170 -0.006 0.000 0.245 465 I C 0.368 176.057 176.117 -0.713 0.000 1.068 465 I CA 1.462 62.317 61.300 -0.742 0.000 1.326 465 I CB -0.224 37.319 38.000 -0.761 0.000 1.028 465 I HN 0.176 nan 8.210 nan 0.000 0.412 466 Y N -0.043 119.951 120.300 -0.511 0.000 2.376 466 Y HA 0.514 5.061 4.550 -0.006 0.000 0.340 466 Y C 0.055 175.760 175.900 -0.327 0.000 0.965 466 Y CA -0.946 56.834 58.100 -0.533 0.000 1.078 466 Y CB 1.377 39.256 38.460 -0.967 0.000 1.193 466 Y HN -0.114 nan 8.280 nan 0.000 0.452 467 R N 1.276 121.739 120.500 -0.061 0.000 2.637 467 R HA 0.615 4.951 4.340 -0.006 0.000 0.291 467 R C -0.915 175.364 176.300 -0.035 0.000 0.963 467 R CA -0.868 55.206 56.100 -0.044 0.000 0.901 467 R CB 2.051 32.324 30.300 -0.046 0.000 1.160 467 R HN 0.687 nan 8.270 nan 0.000 0.457 468 T N -1.707 112.845 114.554 -0.004 0.000 2.893 468 T HA 0.357 4.704 4.350 -0.006 0.000 0.291 468 T C -2.012 172.694 174.700 0.010 0.000 1.028 468 T CA -2.064 60.036 62.100 0.001 0.000 0.995 468 T CB 2.159 71.038 68.868 0.019 0.000 1.051 468 T HN 0.285 nan 8.240 nan 0.000 0.470 469 P HA -0.118 nan 4.420 nan 0.000 0.219 469 P C 1.164 178.471 177.300 0.012 0.000 1.146 469 P CA 0.961 64.069 63.100 0.013 0.000 0.808 469 P CB 0.360 32.070 31.700 0.016 0.000 0.779 470 E N 0.110 120.320 120.200 0.017 0.000 2.031 470 E HA -0.124 4.222 4.350 -0.006 0.000 0.193 470 E C 2.170 178.779 176.600 0.015 0.000 0.994 470 E CA 1.012 57.422 56.400 0.018 0.000 0.800 470 E CB -0.378 29.338 29.700 0.025 0.000 0.752 470 E HN 0.200 nan 8.360 nan 0.000 0.447 471 L N 0.087 121.323 121.223 0.022 0.000 2.156 471 L HA -0.130 4.206 4.340 -0.006 0.000 0.208 471 L C 2.680 179.551 176.870 0.002 0.000 1.095 471 L CA 0.586 55.438 54.840 0.021 0.000 0.770 471 L CB -0.246 41.839 42.059 0.043 0.000 0.914 471 L HN 0.257 nan 8.230 nan 0.000 0.439 472 M N -0.723 118.876 119.600 -0.002 0.000 2.099 472 M HA -0.238 4.238 4.480 -0.006 0.000 0.262 472 M C 2.377 178.647 176.300 -0.051 0.000 1.067 472 M CA 1.680 56.966 55.300 -0.023 0.000 1.124 472 M CB -0.257 32.335 32.600 -0.013 0.000 1.353 472 M HN 0.156 nan 8.290 nan 0.000 0.410 473 Q N 1.082 120.861 119.800 -0.036 0.000 2.061 473 Q HA -0.223 4.114 4.340 -0.006 0.000 0.204 473 Q C 1.803 177.777 176.000 -0.042 0.000 0.984 473 Q CA 1.982 57.760 55.803 -0.042 0.000 0.846 473 Q CB -0.285 28.445 28.738 -0.014 0.000 0.902 473 Q HN 0.353 nan 8.270 nan 0.000 0.421 474 K N -1.285 119.100 120.400 -0.024 0.000 2.113 474 K HA -0.156 4.160 4.320 -0.006 0.000 0.208 474 K C 1.780 178.357 176.600 -0.039 0.000 1.047 474 K CA 1.761 58.035 56.287 -0.022 0.000 0.928 474 K CB -0.189 32.307 32.500 -0.007 0.000 0.716 474 K HN 0.277 nan 8.250 nan 0.000 0.446 475 T N 1.013 115.534 114.554 -0.054 0.000 2.857 475 T HA -0.006 4.341 4.350 -0.006 0.000 0.266 475 T C 1.755 176.394 174.700 -0.103 0.000 1.048 475 T CA 1.090 63.145 62.100 -0.076 0.000 1.139 475 T CB -0.053 68.766 68.868 -0.082 0.000 0.874 475 T HN 0.175 nan 8.240 nan 0.000 0.455 476 I N 1.386 121.875 120.570 -0.136 0.000 2.226 476 I HA -0.181 3.985 4.170 -0.006 0.000 0.245 476 I C 2.179 178.237 176.117 -0.099 0.000 1.100 476 I CA 1.168 62.350 61.300 -0.195 0.000 1.374 476 I CB -0.292 37.515 38.000 -0.321 0.000 1.057 476 I HN 0.139 nan 8.210 nan 0.000 0.413 477 D N 0.645 121.007 120.400 -0.063 0.000 2.144 477 D HA -0.192 4.445 4.640 -0.006 0.000 0.200 477 D C 2.056 178.340 176.300 -0.026 0.000 0.978 477 D CA 1.100 55.083 54.000 -0.029 0.000 0.833 477 D CB -0.158 40.631 40.800 -0.018 0.000 0.961 477 D HN 0.100 nan 8.370 nan 0.000 0.470 478 K N 0.802 121.179 120.400 -0.037 0.000 2.025 478 K HA -0.016 4.301 4.320 -0.006 0.000 0.207 478 K C 2.160 178.739 176.600 -0.034 0.000 1.049 478 K CA 0.755 57.022 56.287 -0.034 0.000 0.933 478 K CB -0.536 31.937 32.500 -0.044 0.000 0.714 478 K HN 0.091 nan 8.250 nan 0.000 0.438 479 L N 0.035 121.229 121.223 -0.049 0.000 2.042 479 L HA -0.181 4.156 4.340 -0.006 0.000 0.210 479 L C 2.460 179.320 176.870 -0.016 0.000 1.076 479 L CA 1.399 56.213 54.840 -0.043 0.000 0.749 479 L CB -0.706 41.316 42.059 -0.062 0.000 0.893 479 L HN 0.262 nan 8.230 nan 0.000 0.432 480 A N -0.111 122.706 122.820 -0.005 0.000 1.883 480 A HA -0.285 4.032 4.320 -0.006 0.000 0.217 480 A C 2.307 179.901 177.584 0.017 0.000 1.186 480 A CA 2.007 54.054 52.037 0.017 0.000 0.624 480 A CB -0.623 18.393 19.000 0.027 0.000 0.822 480 A HN 0.511 nan 8.150 nan 0.000 0.444 481 E N -0.043 120.163 120.200 0.010 0.000 2.058 481 E HA -0.203 4.144 4.350 -0.006 0.000 0.194 481 E C 1.918 178.532 176.600 0.024 0.000 0.997 481 E CA 1.404 57.812 56.400 0.013 0.000 0.801 481 E CB -0.266 29.437 29.700 0.004 0.000 0.746 481 E HN 0.626 nan 8.360 nan 0.000 0.450 482 L N 0.691 121.925 121.223 0.019 0.000 2.191 482 L HA -0.191 4.145 4.340 -0.006 0.000 0.212 482 L C 2.771 179.689 176.870 0.081 0.000 1.103 482 L CA 0.766 55.631 54.840 0.040 0.000 0.769 482 L CB -0.354 41.714 42.059 0.016 0.000 0.908 482 L HN 0.211 nan 8.230 nan 0.000 0.438 483 Q N -0.268 119.564 119.800 0.053 0.000 2.119 483 Q HA -0.219 4.117 4.340 -0.006 0.000 0.201 483 Q C 2.065 178.135 176.000 0.116 0.000 0.972 483 Q CA 1.290 57.134 55.803 0.069 0.000 0.847 483 Q CB -0.026 28.725 28.738 0.021 0.000 0.903 483 Q HN 0.405 nan 8.270 nan 0.000 0.433 484 E N 1.243 121.489 120.200 0.077 0.000 2.047 484 E HA -0.110 4.236 4.350 -0.006 0.000 0.191 484 E C 1.899 178.544 176.600 0.074 0.000 0.987 484 E CA 1.181 57.620 56.400 0.065 0.000 0.799 484 E CB -0.025 29.698 29.700 0.038 0.000 0.752 484 E HN 0.142 nan 8.360 nan 0.000 0.449 485 R N -0.789 119.756 120.500 0.074 0.000 2.096 485 R HA -0.127 4.209 4.340 -0.006 0.000 0.235 485 R C 2.318 178.667 176.300 0.082 0.000 1.127 485 R CA 1.234 57.370 56.100 0.061 0.000 0.968 485 R CB -0.598 29.735 30.300 0.054 0.000 0.861 485 R HN 0.272 nan 8.270 nan 0.000 0.440 486 F N 2.165 122.120 119.950 0.008 0.000 2.192 486 F HA -0.220 4.303 4.527 -0.007 0.000 0.301 486 F C 1.690 177.495 175.800 0.008 0.000 1.079 486 F CA 1.611 59.621 58.000 0.016 0.000 1.303 486 F CB 0.055 39.061 39.000 0.009 0.000 1.024 486 F HN -0.159 nan 8.300 nan 0.000 0.494 487 K N -0.409 120.018 120.400 0.044 0.000 2.439 487 K HA -0.052 4.264 4.320 -0.006 0.000 0.197 487 K C 1.457 178.002 176.600 -0.091 0.000 1.041 487 K CA 0.651 56.919 56.287 -0.032 0.000 0.970 487 K CB -0.014 32.508 32.500 0.036 0.000 0.773 487 K HN 0.148 nan 8.250 nan 0.000 0.479 488 R N 0.191 120.641 120.500 -0.084 0.000 2.427 488 R HA 0.147 4.483 4.340 -0.006 0.000 0.262 488 R C -0.468 175.770 176.300 -0.103 0.000 0.943 488 R CA -0.146 55.911 56.100 -0.072 0.000 1.081 488 R CB 0.713 30.992 30.300 -0.035 0.000 1.166 488 R HN -0.109 nan 8.270 nan 0.000 0.534 489 V N 1.166 120.966 119.914 -0.189 0.000 2.649 489 V HA 0.222 4.339 4.120 -0.006 0.000 0.292 489 V C 0.265 176.269 176.094 -0.150 0.000 1.055 489 V CA -0.246 61.947 62.300 -0.178 0.000 1.023 489 V CB 1.369 33.005 31.823 -0.311 0.000 0.992 489 V HN 0.181 nan 8.190 nan 0.000 0.480 490 R N 4.713 125.163 120.500 -0.082 0.000 2.480 490 R HA 0.491 4.828 4.340 -0.006 0.000 0.306 490 R C -0.972 175.294 176.300 -0.056 0.000 0.958 490 R CA -0.681 55.375 56.100 -0.073 0.000 0.861 490 R CB 1.214 31.486 30.300 -0.048 0.000 1.171 490 R HN 0.683 nan 8.270 nan 0.000 0.445 491 I N 5.057 125.574 120.570 -0.087 0.000 2.260 491 I HA 0.021 4.188 4.170 -0.006 0.000 0.297 491 I C 1.720 177.793 176.117 -0.072 0.000 1.143 491 I CA -0.125 61.117 61.300 -0.096 0.000 1.271 491 I CB 1.131 39.043 38.000 -0.147 0.000 1.461 491 I HN 0.708 nan 8.210 nan 0.000 0.530 492 T N -0.247 114.283 114.554 -0.040 0.000 3.155 492 T HA -0.114 4.233 4.350 -0.006 0.000 0.264 492 T C 0.557 175.232 174.700 -0.041 0.000 1.160 492 T CA 0.290 62.371 62.100 -0.031 0.000 1.075 492 T CB -0.286 68.577 68.868 -0.008 0.000 0.921 492 T HN 0.444 nan 8.240 nan 0.000 0.533 493 D N 1.859 122.220 120.400 -0.064 0.000 2.392 493 D HA 0.227 4.864 4.640 -0.006 0.000 0.228 493 D C 0.877 177.126 176.300 -0.085 0.000 1.074 493 D CA -0.352 53.606 54.000 -0.071 0.000 0.838 493 D CB 1.660 42.407 40.800 -0.088 0.000 1.067 493 D HN 0.279 nan 8.370 nan 0.000 0.511 494 T N -0.008 114.507 114.554 -0.066 0.000 3.134 494 T HA 0.168 4.515 4.350 -0.006 0.000 0.260 494 T C 0.831 175.495 174.700 -0.061 0.000 1.027 494 T CA -0.317 61.743 62.100 -0.066 0.000 0.913 494 T CB -0.324 68.513 68.868 -0.051 0.000 1.046 494 T HN 0.247 nan 8.240 nan 0.000 0.553 495 S N 0.769 116.433 115.700 -0.060 0.000 2.606 495 S HA 0.337 4.804 4.470 -0.006 0.000 0.257 495 S C 0.954 175.518 174.600 -0.059 0.000 1.327 495 S CA -0.384 57.788 58.200 -0.048 0.000 0.984 495 S CB 0.988 64.166 63.200 -0.037 0.000 0.941 495 S HN 0.222 nan 8.310 nan 0.000 0.576 496 S N -0.845 114.830 115.700 -0.041 0.000 2.554 496 S HA 0.212 4.678 4.470 -0.006 0.000 0.227 496 S C 0.037 174.620 174.600 -0.030 0.000 1.050 496 S CA -0.317 57.856 58.200 -0.044 0.000 0.927 496 S CB 0.315 63.499 63.200 -0.027 0.000 0.859 496 S HN 0.564 nan 8.310 nan 0.000 0.494 497 V N 3.388 123.303 119.914 0.002 0.000 2.368 497 V HA 0.346 4.462 4.120 -0.006 0.000 0.266 497 V C -0.074 176.090 176.094 0.118 0.000 1.045 497 V CA -0.494 61.838 62.300 0.053 0.000 0.899 497 V CB -0.683 31.172 31.823 0.053 0.000 1.006 497 V HN 0.520 nan 8.190 nan 0.000 0.470 498 F N 4.068 123.970 119.950 -0.081 0.000 2.738 498 F HA -0.230 4.294 4.527 -0.005 0.000 0.232 498 F C 0.792 176.510 175.800 -0.137 0.000 1.025 498 F CA 0.488 58.428 58.000 -0.099 0.000 0.895 498 F CB -0.425 38.536 39.000 -0.065 0.000 0.839 498 F HN 0.715 nan 8.300 nan 0.000 0.850 499 N N 1.535 120.104 118.700 -0.220 0.000 2.415 499 N HA 0.095 4.831 4.740 -0.006 0.000 0.250 499 N C 1.253 176.497 175.510 -0.443 0.000 1.127 499 N CA 0.721 53.619 53.050 -0.253 0.000 0.945 499 N CB 0.865 39.216 38.487 -0.227 0.000 1.196 499 N HN 0.470 nan 8.380 nan 0.000 0.499 500 T N -0.205 114.059 114.554 -0.483 0.000 3.067 500 T HA -0.043 4.303 4.350 -0.006 0.000 0.257 500 T C 1.271 175.358 174.700 -1.021 0.000 1.105 500 T CA 0.418 62.011 62.100 -0.846 0.000 1.104 500 T CB 0.096 68.428 68.868 -0.893 0.000 0.925 500 T HN 0.311 nan 8.240 nan 0.000 0.498 501 D N 1.217 121.238 120.400 -0.633 0.000 2.104 501 D HA -0.094 4.542 4.640 -0.006 0.000 0.194 501 D C 1.887 177.839 176.300 -0.581 0.000 0.994 501 D CA 0.939 54.618 54.000 -0.534 0.000 0.830 501 D CB -0.393 40.236 40.800 -0.284 0.000 0.959 501 D HN 0.317 nan 8.370 nan 0.000 0.452 502 L N 0.194 121.133 121.223 -0.474 0.000 2.027 502 L HA -0.033 4.303 4.340 -0.006 0.000 0.206 502 L C 2.117 178.687 176.870 -0.500 0.000 1.074 502 L CA 1.529 56.118 54.840 -0.418 0.000 0.745 502 L CB -0.718 41.136 42.059 -0.342 0.000 0.898 502 L HN 0.169 nan 8.230 nan 0.000 0.433 503 L N -1.498 119.351 121.223 -0.623 0.000 2.046 503 L HA -0.270 4.066 4.340 -0.006 0.000 0.208 503 L C 2.612 179.246 176.870 -0.394 0.000 1.077 503 L CA 1.763 56.174 54.840 -0.715 0.000 0.747 503 L CB -0.918 40.667 42.059 -0.790 0.000 0.896 503 L HN 0.340 nan 8.230 nan 0.000 0.432 504 Y N -0.316 119.661 120.300 -0.540 0.000 2.274 504 Y HA -0.234 4.312 4.550 -0.007 0.000 0.290 504 Y C 2.810 178.283 175.900 -0.712 0.000 1.145 504 Y CA 0.794 58.514 58.100 -0.634 0.000 1.203 504 Y CB -0.491 37.358 38.460 -1.018 0.000 0.984 504 Y HN 0.207 nan 8.280 nan 0.000 0.533 505 T N 0.586 114.797 114.554 -0.572 0.000 2.857 505 T HA -0.116 4.230 4.350 -0.006 0.000 0.266 505 T C 1.794 176.522 174.700 0.047 0.000 1.048 505 T CA 1.116 63.061 62.100 -0.258 0.000 1.139 505 T CB -0.281 68.401 68.868 -0.311 0.000 0.874 505 T HN 0.269 nan 8.240 nan 0.000 0.455 506 I N 0.856 121.385 120.570 -0.069 0.000 2.202 506 I HA -0.128 4.038 4.170 -0.006 0.000 0.242 506 I C 2.628 178.781 176.117 0.060 0.000 1.091 506 I CA 1.297 62.598 61.300 0.001 0.000 1.368 506 I CB -0.364 37.606 38.000 -0.051 0.000 1.058 506 I HN 0.262 nan 8.210 nan 0.000 0.410 507 E N 0.651 120.955 120.200 0.173 0.000 2.097 507 E HA -0.284 4.062 4.350 -0.006 0.000 0.196 507 E C 2.100 178.794 176.600 0.157 0.000 1.000 507 E CA 1.368 57.930 56.400 0.270 0.000 0.804 507 E CB -0.166 29.686 29.700 0.253 0.000 0.740 507 E HN 0.279 nan 8.360 nan 0.000 0.454 508 L N 0.321 121.639 121.223 0.158 0.000 2.131 508 L HA -0.052 4.284 4.340 -0.006 0.000 0.210 508 L C 2.022 178.826 176.870 -0.111 0.000 1.092 508 L CA 2.100 57.043 54.840 0.171 0.000 0.759 508 L CB -0.770 41.564 42.059 0.458 0.000 0.903 508 L HN 0.098 nan 8.230 nan 0.000 0.435 509 G N -1.523 107.093 108.800 -0.305 0.000 2.421 509 G HA2 -0.272 3.684 3.960 -0.006 0.000 0.216 509 G HA3 -0.272 3.684 3.960 -0.006 0.000 0.216 509 G C 1.467 176.083 174.900 -0.473 0.000 1.171 509 G CA 0.881 45.513 45.100 -0.780 0.000 0.775 509 G HN 0.548 nan 8.290 nan 0.000 0.543 510 H N 0.859 119.848 119.070 -0.137 0.000 2.353 510 H HA -0.077 4.475 4.556 -0.007 0.000 0.300 510 H C 2.882 178.150 175.328 -0.099 0.000 1.090 510 H CA 1.223 57.215 56.048 -0.093 0.000 1.327 510 H CB -0.855 28.885 29.762 -0.037 0.000 1.383 510 H HN 0.360 nan 8.280 nan 0.000 0.508 511 G N 1.249 110.063 108.800 0.024 0.000 2.514 511 G HA2 -0.231 3.725 3.960 -0.006 0.000 0.217 511 G HA3 -0.231 3.725 3.960 -0.006 0.000 0.217 511 G C 1.972 176.831 174.900 -0.068 0.000 1.198 511 G CA 0.976 46.066 45.100 -0.017 0.000 0.780 511 G HN 0.280 nan 8.290 nan 0.000 0.565 512 L N 0.490 121.639 121.223 -0.123 0.000 1.990 512 L HA -0.191 4.145 4.340 -0.006 0.000 0.213 512 L C 2.850 179.659 176.870 -0.102 0.000 1.072 512 L CA 1.478 56.238 54.840 -0.133 0.000 0.755 512 L CB -0.600 41.335 42.059 -0.207 0.000 0.889 512 L HN 0.144 nan 8.230 nan 0.000 0.432 513 N N -0.282 118.352 118.700 -0.111 0.000 2.069 513 N HA -0.161 4.576 4.740 -0.006 0.000 0.191 513 N C 1.850 177.337 175.510 -0.037 0.000 1.031 513 N CA 1.375 54.386 53.050 -0.065 0.000 0.852 513 N CB -0.695 37.761 38.487 -0.051 0.000 1.018 513 N HN 0.094 nan 8.380 nan 0.000 0.423 514 V N 1.291 121.185 119.914 -0.033 0.000 2.343 514 V HA -0.176 3.941 4.120 -0.006 0.000 0.247 514 V C 2.298 178.368 176.094 -0.040 0.000 1.051 514 V CA 1.772 64.051 62.300 -0.034 0.000 1.036 514 V CB -0.952 30.852 31.823 -0.031 0.000 0.654 514 V HN 0.333 nan 8.190 nan 0.000 0.451 515 A N -0.618 122.169 122.820 -0.055 0.000 1.969 515 A HA -0.204 4.112 4.320 -0.006 0.000 0.218 515 A C 2.159 179.708 177.584 -0.058 0.000 1.169 515 A CA 1.615 53.607 52.037 -0.076 0.000 0.635 515 A CB -0.386 18.544 19.000 -0.116 0.000 0.810 515 A HN 0.623 nan 8.150 nan 0.000 0.445 516 E N -0.836 119.348 120.200 -0.025 0.000 2.150 516 E HA -0.149 4.197 4.350 -0.006 0.000 0.193 516 E C 1.964 178.624 176.600 0.102 0.000 0.985 516 E CA 1.113 57.538 56.400 0.041 0.000 0.814 516 E CB -0.317 29.441 29.700 0.096 0.000 0.752 516 E HN 0.695 nan 8.360 nan 0.000 0.466 517 C N 0.526 119.850 119.300 0.041 0.000 2.425 517 C HA -0.106 4.351 4.460 -0.006 0.000 0.277 517 C C 2.623 177.617 174.990 0.006 0.000 1.280 517 C CA 0.568 59.602 59.018 0.026 0.000 1.744 517 C CB -0.686 27.039 27.740 -0.026 0.000 1.989 517 C HN 0.451 nan 8.230 nan 0.000 0.491 518 M N 1.221 120.808 119.600 -0.022 0.000 2.067 518 M HA -0.133 4.343 4.480 -0.006 0.000 0.260 518 M C 2.604 178.869 176.300 -0.059 0.000 1.069 518 M CA 2.208 57.483 55.300 -0.041 0.000 1.117 518 M CB -0.633 31.955 32.600 -0.021 0.000 1.334 518 M HN 0.412 nan 8.290 nan 0.000 0.407 519 A N -0.444 122.332 122.820 -0.073 0.000 1.902 519 A HA -0.196 4.120 4.320 -0.006 0.000 0.217 519 A C 1.937 179.438 177.584 -0.140 0.000 1.181 519 A CA 1.582 53.544 52.037 -0.124 0.000 0.623 519 A CB -1.157 17.735 19.000 -0.181 0.000 0.818 519 A HN 0.488 nan 8.150 nan 0.000 0.443 520 H N -0.197 118.844 119.070 -0.047 0.000 2.353 520 H HA -0.059 4.494 4.556 -0.006 0.000 0.300 520 H C 2.594 177.893 175.328 -0.049 0.000 1.090 520 H CA 1.657 57.683 56.048 -0.035 0.000 1.327 520 H CB -0.258 29.488 29.762 -0.028 0.000 1.383 520 H HN 0.481 nan 8.280 nan 0.000 0.508 521 S N 0.472 116.195 115.700 0.039 0.000 2.356 521 S HA -0.141 4.325 4.470 -0.006 0.000 0.223 521 S C 2.463 176.969 174.600 -0.157 0.000 1.032 521 S CA 0.983 59.155 58.200 -0.047 0.000 1.005 521 S CB -0.257 62.886 63.200 -0.093 0.000 0.867 521 S HN 0.539 nan 8.310 nan 0.000 0.449 522 A N 1.212 123.903 122.820 -0.214 0.000 1.877 522 A HA -0.089 4.228 4.320 -0.006 0.000 0.216 522 A C 2.119 179.632 177.584 -0.119 0.000 1.186 522 A CA 1.865 53.709 52.037 -0.322 0.000 0.620 522 A CB -0.641 18.270 19.000 -0.148 0.000 0.822 522 A HN 0.453 nan 8.150 nan 0.000 0.443 523 M N 0.160 119.735 119.600 -0.041 0.000 2.202 523 M HA -0.063 4.414 4.480 -0.006 0.000 0.262 523 M C 1.940 178.263 176.300 0.038 0.000 1.063 523 M CA 1.755 57.060 55.300 0.009 0.000 1.097 523 M CB -0.398 32.199 32.600 -0.004 0.000 1.382 523 M HN 0.372 nan 8.290 nan 0.000 0.413 524 A N -0.829 122.025 122.820 0.056 0.000 2.030 524 A HA 0.059 4.375 4.320 -0.006 0.000 0.215 524 A C 1.586 179.221 177.584 0.086 0.000 1.164 524 A CA 0.148 52.264 52.037 0.133 0.000 0.697 524 A CB -0.423 18.716 19.000 0.232 0.000 0.827 524 A HN 0.463 nan 8.150 nan 0.000 0.457 525 R N 1.474 121.933 120.500 -0.068 0.000 2.609 525 R HA 0.104 4.440 4.340 -0.006 0.000 0.271 525 R C -0.648 175.450 176.300 -0.338 0.000 1.403 525 R CA -0.002 55.917 56.100 -0.301 0.000 1.138 525 R CB -0.341 29.732 30.300 -0.379 0.000 1.142 525 R HN 0.205 nan 8.270 nan 0.000 0.559 526 K N 4.347 124.409 120.400 -0.563 0.000 3.000 526 K HA -0.029 4.287 4.320 -0.006 0.000 0.265 526 K C -0.436 175.911 176.600 -0.423 0.000 1.260 526 K CA 0.161 56.255 56.287 -0.321 0.000 1.209 526 K CB -0.049 32.412 32.500 -0.064 0.000 1.484 526 K HN 0.677 nan 8.250 nan 0.000 0.283 527 E N -2.009 117.983 120.200 -0.347 0.000 2.425 527 E HA 0.382 4.729 4.350 -0.006 0.000 0.272 527 E C -1.205 175.345 176.600 -0.083 0.000 1.061 527 E CA -1.113 55.169 56.400 -0.196 0.000 0.877 527 E CB 1.151 30.709 29.700 -0.237 0.000 1.590 527 E HN -0.134 nan 8.360 nan 0.000 0.462 528 S N -0.398 115.284 115.700 -0.030 0.000 2.647 528 S HA 0.612 5.079 4.470 -0.006 0.000 0.300 528 S C -1.272 173.376 174.600 0.081 0.000 1.129 528 S CA -0.671 57.506 58.200 -0.038 0.000 1.029 528 S CB 0.993 64.160 63.200 -0.055 0.000 1.007 528 S HN 0.453 nan 8.310 nan 0.000 0.484 529 R N 2.125 122.734 120.500 0.180 0.000 2.535 529 R HA 0.540 4.876 4.340 -0.006 0.000 0.274 529 R C 0.568 177.042 176.300 0.291 0.000 1.090 529 R CA 0.345 56.585 56.100 0.233 0.000 0.930 529 R CB 1.077 31.553 30.300 0.294 0.000 1.223 529 R HN 0.913 nan 8.270 nan 0.000 0.441 530 G N 2.191 111.089 108.800 0.164 0.000 2.614 530 G HA2 -0.444 3.513 3.960 -0.006 0.000 0.303 530 G HA3 -0.444 3.513 3.960 -0.006 0.000 0.303 530 G C 0.804 175.817 174.900 0.188 0.000 1.270 530 G CA 0.608 45.793 45.100 0.142 0.000 0.988 530 G HN 0.911 nan 8.290 nan 0.000 0.551 531 A N -0.698 122.283 122.820 0.269 0.000 2.178 531 A HA 0.163 4.479 4.320 -0.006 0.000 0.218 531 A C 1.276 178.975 177.584 0.192 0.000 1.157 531 A CA 2.258 54.426 52.037 0.219 0.000 0.689 531 A CB -0.403 18.760 19.000 0.272 0.000 0.787 531 A HN 1.582 nan 8.150 nan 0.000 0.465 532 H N 0.886 120.061 119.070 0.174 0.000 2.741 532 H HA 0.463 5.015 4.556 -0.005 0.000 0.282 532 H C -0.685 174.635 175.328 -0.013 0.000 1.122 532 H CA -0.336 55.703 56.048 -0.015 0.000 1.293 532 H CB 0.121 29.750 29.762 -0.222 0.000 1.415 532 H HN 0.149 nan 8.280 nan 0.000 0.472 533 Q N 4.810 124.363 119.800 -0.411 0.000 2.330 533 Q HA 0.412 4.748 4.340 -0.006 0.000 0.269 533 Q C -0.427 175.388 176.000 -0.309 0.000 1.022 533 Q CA -0.610 55.000 55.803 -0.321 0.000 0.796 533 Q CB 2.235 30.824 28.738 -0.248 0.000 1.271 533 Q HN 0.741 nan 8.270 nan 0.000 0.450 534 R N 1.998 122.343 120.500 -0.257 0.000 2.637 534 R HA 0.491 4.828 4.340 -0.006 0.000 0.291 534 R C 0.875 177.126 176.300 -0.082 0.000 0.963 534 R CA -0.533 55.464 56.100 -0.172 0.000 0.901 534 R CB 1.509 31.692 30.300 -0.196 0.000 1.160 534 R HN 0.475 nan 8.270 nan 0.000 0.457 535 L N 1.370 122.544 121.223 -0.082 0.000 2.592 535 L HA 0.056 4.393 4.340 -0.006 0.000 0.227 535 L C 0.261 177.097 176.870 -0.056 0.000 1.127 535 L CA 0.181 54.962 54.840 -0.098 0.000 0.884 535 L CB -0.253 41.711 42.059 -0.159 0.000 1.065 535 L HN 0.648 nan 8.230 nan 0.000 0.457 536 D N 0.765 121.142 120.400 -0.040 0.000 2.256 536 D HA -0.036 4.600 4.640 -0.006 0.000 0.250 536 D C 0.128 176.420 176.300 -0.013 0.000 1.093 536 D CA -0.450 53.539 54.000 -0.019 0.000 0.882 536 D CB 1.116 41.910 40.800 -0.010 0.000 1.185 536 D HN 0.022 nan 8.370 nan 0.000 0.437 537 E N 0.901 121.099 120.200 -0.003 0.000 2.966 537 E HA 0.013 4.359 4.350 -0.006 0.000 0.254 537 E C 0.869 177.474 176.600 0.009 0.000 0.923 537 E CA 1.017 57.419 56.400 0.004 0.000 0.960 537 E CB -0.380 29.325 29.700 0.008 0.000 0.901 537 E HN 0.810 nan 8.360 nan 0.000 0.525 538 G N 3.087 111.893 108.800 0.011 0.000 2.143 538 G HA2 -0.282 3.675 3.960 -0.006 0.000 0.249 538 G HA3 -0.282 3.675 3.960 -0.006 0.000 0.249 538 G C 0.465 175.374 174.900 0.014 0.000 0.981 538 G CA 0.072 45.184 45.100 0.019 0.000 0.665 538 G HN 0.629 nan 8.290 nan 0.000 0.528 539 C N -0.309 118.988 119.300 -0.005 0.000 4.027 539 C HA 0.304 4.761 4.460 -0.006 0.000 0.351 539 C C 2.379 177.345 174.990 -0.041 0.000 1.634 539 C CA 1.021 60.021 59.018 -0.031 0.000 1.897 539 C CB -0.244 27.470 27.740 -0.042 0.000 2.949 539 C HN 0.866 nan 8.230 nan 0.000 0.684 540 T N -1.499 113.042 114.554 -0.021 0.000 3.160 540 T HA 0.105 4.452 4.350 -0.006 0.000 0.257 540 T C 0.230 174.930 174.700 0.002 0.000 1.147 540 T CA 0.947 63.038 62.100 -0.015 0.000 1.064 540 T CB 0.164 69.030 68.868 -0.004 0.000 0.949 540 T HN 0.621 nan 8.240 nan 0.000 0.526 541 E N 0.084 120.287 120.200 0.006 0.000 2.410 541 E HA 0.515 4.861 4.350 -0.006 0.000 0.269 541 E C -0.822 175.797 176.600 0.033 0.000 0.937 541 E CA -1.211 55.202 56.400 0.022 0.000 0.793 541 E CB 1.903 31.618 29.700 0.026 0.000 1.314 541 E HN 0.059 nan 8.360 nan 0.000 0.447 542 R N 1.167 121.695 120.500 0.046 0.000 2.490 542 R HA 0.106 4.442 4.340 -0.006 0.000 0.280 542 R C -1.084 175.259 176.300 0.071 0.000 1.077 542 R CA 0.016 56.157 56.100 0.068 0.000 1.065 542 R CB 0.520 30.861 30.300 0.069 0.000 1.003 542 R HN 0.361 nan 8.270 nan 0.000 0.470 543 D N 2.510 122.979 120.400 0.114 0.000 2.389 543 D HA 0.127 4.763 4.640 -0.006 0.000 0.256 543 D C -0.628 175.753 176.300 0.135 0.000 1.239 543 D CA -0.475 53.606 54.000 0.135 0.000 0.925 543 D CB 1.122 42.053 40.800 0.218 0.000 1.145 543 D HN 0.418 nan 8.370 nan 0.000 0.542 544 D N 2.196 122.631 120.400 0.058 0.000 2.355 544 D HA -0.014 4.623 4.640 -0.006 0.000 0.218 544 D C 1.941 178.244 176.300 0.004 0.000 1.004 544 D CA 0.337 54.354 54.000 0.028 0.000 0.880 544 D CB 0.825 41.608 40.800 -0.029 0.000 0.911 544 D HN 0.264 nan 8.370 nan 0.000 0.528 545 V N 0.952 120.868 119.914 0.004 0.000 2.446 545 V HA -0.053 4.063 4.120 -0.006 0.000 0.244 545 V C 1.702 177.750 176.094 -0.076 0.000 1.039 545 V CA 1.097 63.380 62.300 -0.028 0.000 1.045 545 V CB -0.081 31.730 31.823 -0.018 0.000 0.681 545 V HN 0.182 nan 8.190 nan 0.000 0.459 546 N N -1.531 117.116 118.700 -0.088 0.000 2.273 546 N HA 0.191 4.927 4.740 -0.006 0.000 0.192 546 N C 0.576 175.665 175.510 -0.701 0.000 1.132 546 N CA 0.389 53.234 53.050 -0.341 0.000 0.887 546 N CB 0.933 39.214 38.487 -0.345 0.000 1.048 546 N HN 0.454 nan 8.380 nan 0.000 0.490 547 F N 0.411 120.325 119.950 -0.060 0.000 2.791 547 F HA 0.300 4.823 4.527 -0.006 0.000 0.316 547 F C 0.449 176.237 175.800 -0.019 0.000 1.134 547 F CA -0.445 57.518 58.000 -0.062 0.000 1.222 547 F CB 0.575 39.566 39.000 -0.014 0.000 1.034 547 F HN -0.159 nan 8.300 nan 0.000 0.516 548 L N 3.652 124.916 121.223 0.068 0.000 2.437 548 L HA 0.260 4.596 4.340 -0.006 0.000 0.243 548 L C 0.074 176.943 176.870 -0.002 0.000 1.346 548 L CA 0.402 55.271 54.840 0.049 0.000 1.233 548 L CB -1.454 40.622 42.059 0.028 0.000 1.436 548 L HN 0.147 nan 8.230 nan 0.000 0.416 549 K N -0.604 119.808 120.400 0.020 0.000 2.555 549 K HA 0.471 4.787 4.320 -0.006 0.000 0.279 549 K C -1.139 175.514 176.600 0.088 0.000 0.986 549 K CA -0.981 55.316 56.287 0.017 0.000 0.880 549 K CB 1.110 33.643 32.500 0.055 0.000 1.474 549 K HN -0.011 nan 8.250 nan 0.000 0.433 550 H N 0.529 119.733 119.070 0.223 0.000 2.505 550 H HA 0.240 4.793 4.556 -0.005 0.000 0.351 550 H C -0.367 175.156 175.328 0.325 0.000 1.151 550 H CA -0.198 55.987 56.048 0.228 0.000 1.339 550 H CB 1.798 31.631 29.762 0.120 0.000 1.483 550 H HN 0.513 nan 8.280 nan 0.000 0.558 551 T N 3.828 118.626 114.554 0.405 0.000 2.771 551 T HA 0.348 4.694 4.350 -0.006 0.000 0.291 551 T C 0.581 175.295 174.700 0.022 0.000 0.954 551 T CA -0.617 61.600 62.100 0.196 0.000 1.045 551 T CB 0.358 69.329 68.868 0.171 0.000 0.917 551 T HN 0.199 nan 8.240 nan 0.000 0.484 552 L N 2.837 123.991 121.223 -0.114 0.000 2.305 552 L HA 0.693 5.029 4.340 -0.006 0.000 0.284 552 L C 0.061 176.815 176.870 -0.193 0.000 1.013 552 L CA -1.059 53.677 54.840 -0.173 0.000 0.819 552 L CB 1.429 43.426 42.059 -0.104 0.000 1.227 552 L HN 0.673 nan 8.230 nan 0.000 0.417 553 A N 4.140 126.798 122.820 -0.270 0.000 2.287 553 A HA 0.790 5.106 4.320 -0.006 0.000 0.317 553 A C -1.072 176.373 177.584 -0.232 0.000 1.220 553 A CA -0.290 51.654 52.037 -0.154 0.000 0.835 553 A CB 0.398 19.335 19.000 -0.105 0.000 1.180 553 A HN 0.499 nan 8.150 nan 0.000 0.500 554 F N 0.715 120.607 119.950 -0.097 0.000 2.483 554 F HA 0.680 5.201 4.527 -0.009 0.000 0.329 554 F C 0.770 176.520 175.800 -0.084 0.000 1.064 554 F CA -0.512 57.438 58.000 -0.082 0.000 0.986 554 F CB 1.850 40.802 39.000 -0.080 0.000 1.218 554 F HN 0.576 nan 8.300 nan 0.000 0.484 555 R N 1.682 122.255 120.500 0.121 0.000 2.409 555 R HA 0.304 4.641 4.340 -0.006 0.000 0.313 555 R C -1.346 174.973 176.300 0.031 0.000 0.953 555 R CA -0.656 55.467 56.100 0.038 0.000 0.849 555 R CB 0.637 30.938 30.300 0.002 0.000 1.171 555 R HN 0.606 nan 8.270 nan 0.000 0.458 556 D N 2.284 122.685 120.400 0.002 0.000 2.411 556 D HA 0.131 4.767 4.640 -0.006 0.000 0.251 556 D C 0.969 177.255 176.300 -0.023 0.000 1.201 556 D CA -0.039 53.952 54.000 -0.015 0.000 0.996 556 D CB 1.155 41.934 40.800 -0.035 0.000 1.101 556 D HN 0.640 nan 8.370 nan 0.000 0.504 557 A N 0.522 123.325 122.820 -0.028 0.000 2.121 557 A HA -0.148 4.168 4.320 -0.006 0.000 0.218 557 A C 1.094 178.664 177.584 -0.024 0.000 1.154 557 A CA 1.165 53.185 52.037 -0.029 0.000 0.679 557 A CB -0.331 18.652 19.000 -0.029 0.000 0.795 557 A HN 0.536 nan 8.150 nan 0.000 0.458 558 D N -1.965 118.421 120.400 -0.024 0.000 2.319 558 D HA 0.255 4.892 4.640 -0.006 0.000 0.230 558 D C 1.129 177.418 176.300 -0.017 0.000 1.094 558 D CA 0.668 54.656 54.000 -0.019 0.000 0.856 558 D CB -0.688 40.099 40.800 -0.022 0.000 0.915 558 D HN 0.646 nan 8.370 nan 0.000 0.517 559 G N 0.493 109.281 108.800 -0.020 0.000 2.162 559 G HA2 -0.278 3.678 3.960 -0.006 0.000 0.260 559 G HA3 -0.278 3.678 3.960 -0.006 0.000 0.260 559 G C 0.424 175.310 174.900 -0.023 0.000 0.976 559 G CA 0.601 45.690 45.100 -0.018 0.000 0.655 559 G HN 0.663 nan 8.290 nan 0.000 0.533 560 T N -0.764 113.769 114.554 -0.036 0.000 2.909 560 T HA 0.592 4.938 4.350 -0.006 0.000 0.286 560 T C 0.039 174.688 174.700 -0.086 0.000 1.002 560 T CA 0.083 62.145 62.100 -0.064 0.000 1.074 560 T CB 2.167 70.995 68.868 -0.066 0.000 0.984 560 T HN 0.186 nan 8.240 nan 0.000 0.495 561 T N 3.618 118.069 114.554 -0.171 0.000 2.753 561 T HA 0.403 4.749 4.350 -0.006 0.000 0.297 561 T C 0.168 174.731 174.700 -0.228 0.000 0.981 561 T CA -0.638 61.348 62.100 -0.190 0.000 0.956 561 T CB 0.224 68.955 68.868 -0.228 0.000 0.936 561 T HN 0.458 nan 8.240 nan 0.000 0.463 562 R N 2.687 123.137 120.500 -0.083 0.000 2.604 562 R HA 0.688 5.025 4.340 -0.006 0.000 0.287 562 R C -0.600 175.710 176.300 0.017 0.000 0.970 562 R CA -0.855 55.209 56.100 -0.061 0.000 0.946 562 R CB 1.634 31.896 30.300 -0.064 0.000 1.127 562 R HN 0.448 nan 8.270 nan 0.000 0.473 563 L N 1.248 122.446 121.223 -0.041 0.000 2.330 563 L HA 0.562 4.898 4.340 -0.006 0.000 0.271 563 L C -0.014 176.769 176.870 -0.144 0.000 1.013 563 L CA -0.676 54.103 54.840 -0.103 0.000 0.816 563 L CB 1.792 43.718 42.059 -0.222 0.000 1.287 563 L HN 0.567 nan 8.230 nan 0.000 0.435 564 E N 0.218 120.300 120.200 -0.197 0.000 2.433 564 E HA 0.546 4.892 4.350 -0.006 0.000 0.273 564 E C -1.913 174.482 176.600 -0.343 0.000 0.950 564 E CA -0.738 55.582 56.400 -0.133 0.000 0.796 564 E CB 2.899 32.673 29.700 0.123 0.000 1.330 564 E HN 0.322 nan 8.360 nan 0.000 0.455 565 Y N 0.030 120.401 120.300 0.120 0.000 2.499 565 Y HA 0.445 4.992 4.550 -0.005 0.000 0.347 565 Y C -0.015 175.950 175.900 0.109 0.000 0.987 565 Y CA -0.660 57.510 58.100 0.116 0.000 1.044 565 Y CB 2.296 40.805 38.460 0.082 0.000 1.245 565 Y HN 0.476 nan 8.280 nan 0.000 0.461 566 S N 0.322 116.204 115.700 0.304 0.000 2.634 566 S HA 0.543 5.010 4.470 -0.006 0.000 0.296 566 S C -1.380 173.357 174.600 0.228 0.000 1.104 566 S CA -1.120 57.216 58.200 0.226 0.000 0.920 566 S CB 2.027 65.338 63.200 0.186 0.000 1.111 566 S HN 0.498 nan 8.310 nan 0.000 0.493 567 D N 0.732 121.231 120.400 0.165 0.000 2.329 567 D HA 0.436 5.073 4.640 -0.006 0.000 0.246 567 D C -0.363 176.024 176.300 0.144 0.000 1.111 567 D CA -0.218 53.850 54.000 0.113 0.000 0.941 567 D CB 1.521 42.367 40.800 0.077 0.000 1.169 567 D HN 0.414 nan 8.370 nan 0.000 0.441 568 V N 1.696 121.638 119.914 0.047 0.000 2.370 568 V HA 0.126 4.242 4.120 -0.006 0.000 0.279 568 V C 0.354 176.498 176.094 0.083 0.000 1.029 568 V CA -0.878 61.445 62.300 0.038 0.000 0.870 568 V CB 1.232 33.003 31.823 -0.086 0.000 0.984 568 V HN 0.356 nan 8.190 nan 0.000 0.451 569 K N 5.785 126.251 120.400 0.109 0.000 2.402 569 K HA 0.236 4.552 4.320 -0.006 0.000 0.285 569 K C -0.571 176.095 176.600 0.109 0.000 1.054 569 K CA 0.174 56.519 56.287 0.097 0.000 1.001 569 K CB 0.040 32.596 32.500 0.092 0.000 0.946 569 K HN 0.494 nan 8.250 nan 0.000 0.473 570 I N 4.572 125.210 120.570 0.113 0.000 2.525 570 I HA 0.208 4.374 4.170 -0.006 0.000 0.301 570 I C 1.167 177.368 176.117 0.141 0.000 0.992 570 I CA -0.308 61.080 61.300 0.146 0.000 1.162 570 I CB 1.374 39.460 38.000 0.144 0.000 1.332 570 I HN 1.006 nan 8.210 nan 0.000 0.458 571 T N -0.596 114.065 114.554 0.178 0.000 3.330 571 T HA 0.017 4.364 4.350 -0.006 0.000 0.240 571 T C 1.117 175.891 174.700 0.123 0.000 0.988 571 T CA 0.833 63.015 62.100 0.136 0.000 1.253 571 T CB 0.206 69.149 68.868 0.124 0.000 1.163 571 T HN 0.573 nan 8.240 nan 0.000 0.382 572 T N -1.048 113.601 114.554 0.160 0.000 2.975 572 T HA 0.440 4.786 4.350 -0.006 0.000 0.261 572 T C 0.099 174.934 174.700 0.225 0.000 0.984 572 T CA -0.319 61.861 62.100 0.134 0.000 0.911 572 T CB 0.167 69.057 68.868 0.036 0.000 1.127 572 T HN 0.240 nan 8.240 nan 0.000 0.514 573 L N 4.453 125.876 121.223 0.334 0.000 2.506 573 L HA 0.531 4.868 4.340 -0.006 0.000 0.247 573 L C -2.581 174.553 176.870 0.439 0.000 1.141 573 L CA -2.564 52.519 54.840 0.403 0.000 0.973 573 L CB 0.919 43.263 42.059 0.476 0.000 1.319 573 L HN -0.067 nan 8.230 nan 0.000 0.455 574 P HA 0.194 nan 4.420 nan 0.000 0.269 574 P C -2.731 174.600 177.300 0.052 0.000 1.217 574 P CA -0.893 62.313 63.100 0.177 0.000 0.783 574 P CB -0.258 31.493 31.700 0.085 0.000 0.898 575 P HA 0.379 nan 4.420 nan 0.000 0.278 575 P C -2.174 174.778 177.300 -0.579 0.000 1.258 575 P CA -0.432 62.105 63.100 -0.937 0.000 0.811 575 P CB 2.144 33.401 31.700 -0.738 0.000 1.063 576 A N 0.000 122.394 122.820 -0.711 0.000 2.254 576 A HA 0.000 4.316 4.320 -0.006 0.000 0.244 576 A CA 0.000 51.813 52.037 -0.373 0.000 0.836 576 A CB 0.000 18.877 19.000 -0.206 0.000 0.831 576 A HN 0.000 nan 8.150 nan 0.000 0.486