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 1bl9_1_B DATA FIRST_RESID 7 DATA SEQUENCE AEQYQGAASA VDPAHVVRTN GAPDMSESEF NEAKQIYFQR CAGCHGVLRK DATA SEQUENCE GATGKPLTPD ITQQRGQQYL EALITYGTPL GMPNWGSSGE LSKEQITLMA DATA SEQUENCE KYIQHTPPQP PEWGMPEMRE SWKVLVKPED RPKKQLNDLD LPNLFSVTLR DATA SEQUENCE DAGQIALVDG DSKKIVKVID TGYAVHISRM SASGRYLLVI GRDARIDMID DATA SEQUENCE LWAKEPTKVA EIKIGIEARS VESSKFKGYE DRYTIAGAYW PPQFAIMDGE DATA SEQUENCE TLEPKQIVST RGMTVDTQTY HPEPRVAAII ASHEHPEFIV NVKETGKVLL DATA SEQUENCE VNYKDIDNLT VTSIGAAPFL HDGGWDSSHR YFMTAANNSN KVAVIDSKDR DATA SEQUENCE RLSALVDVGK TPHPGRGANF VHPKYGPVWS TSHLGDGSIS LIGTDPKNHP DATA SEQUENCE QYAWKKVAEL QGQGGGSLFI KTHPKSSHLY VDTTFNPDAR ISQSVAVFDL DATA SEQUENCE KNLDAKYQVL PIAEWADLGE GAKRVVQPEY NKRGDEVWFS VWNGKNDSSA DATA SEQUENCE LVVVDDKTLK LKAVVKDPRL ITPTGKFNVY NTQHDVY 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.687 177.584 0.172 0.000 1.274 7 A CA 0.000 52.092 52.037 0.092 0.000 0.836 7 A CB 0.000 19.032 19.000 0.053 0.000 0.831 8 E N 0.194 120.452 120.200 0.096 0.000 2.076 8 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 8 E C 1.390 178.033 176.600 0.071 0.000 0.979 8 E CA 1.025 57.468 56.400 0.071 0.000 0.807 8 E CB -0.023 29.701 29.700 0.039 0.000 0.761 8 E HN 0.505 nan 8.360 nan 0.000 0.454 9 Q N -0.276 119.573 119.800 0.082 0.000 2.389 9 Q HA -0.086 4.254 4.340 -0.000 0.000 0.204 9 Q C 1.737 177.800 176.000 0.104 0.000 0.944 9 Q CA 0.643 56.487 55.803 0.069 0.000 0.908 9 Q CB -0.094 28.677 28.738 0.055 0.000 1.002 9 Q HN 0.435 nan 8.270 nan 0.000 0.493 10 Y N 1.373 121.668 120.300 -0.009 0.000 2.243 10 Y HA -0.058 4.492 4.550 -0.000 0.000 0.293 10 Y C 1.190 177.084 175.900 -0.010 0.000 1.124 10 Y CA 1.323 59.417 58.100 -0.009 0.000 1.159 10 Y CB 0.222 38.677 38.460 -0.009 0.000 1.008 10 Y HN 0.002 nan 8.280 nan 0.000 0.527 11 Q N 0.100 119.808 119.800 -0.154 0.000 2.217 11 Q HA 0.235 4.575 4.340 -0.000 0.000 0.226 11 Q C 1.185 177.123 176.000 -0.104 0.000 0.875 11 Q CA 0.236 55.893 55.803 -0.243 0.000 0.974 11 Q CB 0.500 29.149 28.738 -0.148 0.000 1.079 11 Q HN 0.596 nan 8.270 nan 0.000 0.463 12 G N -0.423 108.338 108.800 -0.065 0.000 3.126 12 G HA2 0.344 4.304 3.960 -0.000 0.000 0.224 12 G HA3 0.344 4.304 3.960 -0.000 0.000 0.224 12 G C 0.362 175.238 174.900 -0.040 0.000 1.142 12 G CA 0.045 45.124 45.100 -0.034 0.000 0.759 12 G HN 0.358 nan 8.290 nan 0.000 0.550 13 A N 0.321 123.105 122.820 -0.061 0.000 2.302 13 A HA 0.786 5.106 4.320 -0.000 0.000 0.285 13 A C 0.795 178.347 177.584 -0.053 0.000 1.105 13 A CA 0.154 52.160 52.037 -0.052 0.000 0.816 13 A CB 0.536 19.501 19.000 -0.058 0.000 1.067 13 A HN 0.879 nan 8.150 nan 0.000 0.489 14 A N 1.072 123.866 122.820 -0.043 0.000 2.483 14 A HA 0.456 4.776 4.320 -0.000 0.000 0.238 14 A C 0.889 178.444 177.584 -0.049 0.000 1.070 14 A CA 0.560 52.572 52.037 -0.042 0.000 0.770 14 A CB -0.166 18.812 19.000 -0.036 0.000 1.008 14 A HN 1.342 nan 8.150 nan 0.000 0.497 15 S N 0.674 116.345 115.700 -0.047 0.000 2.564 15 S HA 0.369 4.839 4.470 -0.000 0.000 0.278 15 S C 1.352 175.922 174.600 -0.050 0.000 1.333 15 S CA -0.045 58.125 58.200 -0.049 0.000 1.048 15 S CB 0.711 63.884 63.200 -0.044 0.000 0.900 15 S HN 1.404 nan 8.310 nan 0.000 0.505 16 A N 4.738 127.527 122.820 -0.051 0.000 2.067 16 A HA 0.135 4.455 4.320 -0.000 0.000 0.219 16 A C 0.820 178.368 177.584 -0.061 0.000 1.158 16 A CA 0.475 52.480 52.037 -0.053 0.000 0.661 16 A CB -0.474 18.497 19.000 -0.049 0.000 0.801 16 A HN 0.691 nan 8.150 nan 0.000 0.452 17 V N 2.018 121.898 119.914 -0.056 0.000 2.540 17 V HA 0.024 4.143 4.120 -0.000 0.000 0.297 17 V C 0.126 176.177 176.094 -0.072 0.000 1.024 17 V CA -0.201 62.064 62.300 -0.057 0.000 1.105 17 V CB 0.665 32.465 31.823 -0.038 0.000 0.938 17 V HN 0.440 nan 8.190 nan 0.000 0.482 18 D N 6.915 127.246 120.400 -0.115 0.000 2.343 18 D HA 0.210 4.850 4.640 -0.000 0.000 0.255 18 D C -1.409 174.851 176.300 -0.067 0.000 1.187 18 D CA -1.983 51.926 54.000 -0.151 0.000 0.875 18 D CB 1.845 42.423 40.800 -0.370 0.000 1.136 18 D HN 0.220 nan 8.370 nan 0.000 0.469 19 P HA -0.158 nan 4.420 nan 0.000 0.216 19 P C 1.012 178.337 177.300 0.041 0.000 1.153 19 P CA 1.740 64.840 63.100 0.001 0.000 0.858 19 P CB 0.122 31.819 31.700 -0.006 0.000 0.789 20 A N -0.713 122.144 122.820 0.061 0.000 1.986 20 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 20 A C 1.664 179.409 177.584 0.268 0.000 1.171 20 A CA 1.893 54.018 52.037 0.147 0.000 0.640 20 A CB -1.595 17.508 19.000 0.172 0.000 0.811 20 A HN 0.276 nan 8.150 nan 0.000 0.451 21 H N -1.596 117.466 119.070 -0.013 0.000 2.539 21 H HA 0.283 4.838 4.556 -0.000 0.000 0.269 21 H C -0.118 175.202 175.328 -0.014 0.000 0.980 21 H CA -0.122 55.918 56.048 -0.013 0.000 1.152 21 H CB -0.146 29.608 29.762 -0.013 0.000 1.407 21 H HN 0.186 nan 8.280 nan 0.000 0.564 22 V N 2.949 122.923 119.914 0.101 0.000 2.368 22 V HA 0.150 4.270 4.120 -0.000 0.000 0.266 22 V C 0.295 176.404 176.094 0.025 0.000 1.045 22 V CA -0.899 61.429 62.300 0.046 0.000 0.899 22 V CB 0.926 32.766 31.823 0.027 0.000 1.006 22 V HN 0.116 nan 8.190 nan 0.000 0.470 23 V N 3.345 123.265 119.914 0.010 0.000 2.481 23 V HA 0.605 4.725 4.120 -0.000 0.000 0.286 23 V C 0.206 176.295 176.094 -0.009 0.000 1.042 23 V CA -0.897 61.400 62.300 -0.005 0.000 0.928 23 V CB 1.253 33.065 31.823 -0.018 0.000 0.986 23 V HN 0.882 nan 8.190 nan 0.000 0.462 24 R N 2.941 123.433 120.500 -0.013 0.000 2.539 24 R HA 0.467 4.807 4.340 -0.000 0.000 0.275 24 R C -0.417 175.867 176.300 -0.027 0.000 1.077 24 R CA -0.162 55.927 56.100 -0.017 0.000 1.097 24 R CB 0.940 31.229 30.300 -0.018 0.000 1.018 24 R HN 0.932 nan 8.270 nan 0.000 0.483 25 T N 3.943 118.479 114.554 -0.031 0.000 2.758 25 T HA 0.419 4.769 4.350 -0.000 0.000 0.285 25 T C -0.658 174.005 174.700 -0.062 0.000 0.981 25 T CA -0.688 61.386 62.100 -0.044 0.000 0.965 25 T CB 0.826 69.671 68.868 -0.039 0.000 0.927 25 T HN 0.608 nan 8.240 nan 0.000 0.448 26 N N 0.459 119.112 118.700 -0.080 0.000 3.467 26 N HA 0.452 5.192 4.740 -0.000 0.000 0.280 26 N C 0.093 175.536 175.510 -0.110 0.000 1.352 26 N CA 0.504 53.488 53.050 -0.111 0.000 0.801 26 N CB 0.818 39.252 38.487 -0.089 0.000 1.627 26 N HN 0.855 nan 8.380 nan 0.000 0.397 27 G N -0.912 107.815 108.800 -0.123 0.000 2.145 27 G HA2 0.261 4.221 3.960 -0.000 0.000 0.145 27 G HA3 0.261 4.221 3.960 -0.000 0.000 0.145 27 G C -0.138 174.685 174.900 -0.128 0.000 1.017 27 G CA 0.418 45.461 45.100 -0.096 0.000 0.682 27 G HN 0.861 nan 8.290 nan 0.000 0.504 28 A N 0.606 123.290 122.820 -0.227 0.000 2.293 28 A HA 0.846 5.166 4.320 -0.000 0.000 0.302 28 A C -1.698 175.795 177.584 -0.151 0.000 1.119 28 A CA -1.295 50.545 52.037 -0.328 0.000 0.823 28 A CB 0.556 18.984 19.000 -0.953 0.000 1.097 28 A HN 0.184 nan 8.150 nan 0.000 0.491 29 P HA 0.122 nan 4.420 nan 0.000 0.267 29 P C -0.945 176.488 177.300 0.223 0.000 1.205 29 P CA -0.110 63.050 63.100 0.100 0.000 0.765 29 P CB 0.393 32.157 31.700 0.107 0.000 0.828 30 D N 4.181 124.666 120.400 0.142 0.000 2.458 30 D HA 0.150 4.790 4.640 -0.000 0.000 0.243 30 D C 0.621 177.000 176.300 0.133 0.000 1.146 30 D CA 0.832 54.919 54.000 0.145 0.000 0.877 30 D CB 0.221 41.067 40.800 0.077 0.000 1.176 30 D HN 0.370 nan 8.370 nan 0.000 0.461 31 M N -0.660 119.011 119.600 0.118 0.000 2.324 31 M HA 0.361 4.840 4.480 -0.000 0.000 0.288 31 M C -0.139 176.194 176.300 0.055 0.000 1.097 31 M CA -1.002 54.349 55.300 0.086 0.000 0.928 31 M CB 2.057 34.722 32.600 0.109 0.000 1.648 31 M HN 0.178 nan 8.290 nan 0.000 0.460 32 S N 0.910 116.641 115.700 0.051 0.000 2.598 32 S HA 0.081 4.550 4.470 -0.000 0.000 0.256 32 S C 0.768 175.401 174.600 0.054 0.000 1.350 32 S CA 0.413 58.634 58.200 0.034 0.000 0.984 32 S CB 1.037 64.254 63.200 0.029 0.000 0.930 32 S HN 0.955 nan 8.310 nan 0.000 0.577 33 E N 0.353 120.572 120.200 0.032 0.000 2.077 33 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 33 E C 2.237 178.890 176.600 0.088 0.000 0.989 33 E CA 1.391 57.821 56.400 0.051 0.000 0.800 33 E CB -0.345 29.366 29.700 0.019 0.000 0.746 33 E HN 0.790 nan 8.360 nan 0.000 0.452 34 S N 0.243 115.975 115.700 0.054 0.000 2.368 34 S HA -0.204 4.266 4.470 -0.000 0.000 0.225 34 S C 1.756 176.380 174.600 0.039 0.000 1.030 34 S CA 1.513 59.736 58.200 0.039 0.000 0.999 34 S CB -0.256 62.956 63.200 0.021 0.000 0.844 34 S HN 0.305 nan 8.310 nan 0.000 0.459 35 E N -0.193 120.038 120.200 0.051 0.000 2.051 35 E HA -0.089 4.260 4.350 -0.000 0.000 0.192 35 E C 1.815 178.442 176.600 0.045 0.000 0.991 35 E CA 1.381 57.804 56.400 0.039 0.000 0.799 35 E CB -0.360 29.370 29.700 0.051 0.000 0.748 35 E HN 0.684 nan 8.360 nan 0.000 0.449 36 F N 2.245 122.169 119.950 -0.044 0.000 2.171 36 F HA -0.165 4.362 4.527 -0.001 0.000 0.300 36 F C 1.807 177.576 175.800 -0.052 0.000 1.090 36 F CA 1.215 59.196 58.000 -0.031 0.000 1.293 36 F CB 0.077 39.052 39.000 -0.041 0.000 1.013 36 F HN -0.062 nan 8.300 nan 0.000 0.486 37 N N 0.263 119.016 118.700 0.088 0.000 2.300 37 N HA -0.155 4.585 4.740 -0.000 0.000 0.179 37 N C 1.853 177.289 175.510 -0.123 0.000 1.016 37 N CA 1.136 54.182 53.050 -0.005 0.000 0.876 37 N CB -0.489 38.033 38.487 0.059 0.000 0.979 37 N HN 0.507 nan 8.380 nan 0.000 0.432 38 E N 0.772 120.904 120.200 -0.114 0.000 2.106 38 E HA -0.052 4.297 4.350 -0.000 0.000 0.192 38 E C 1.641 178.101 176.600 -0.234 0.000 0.984 38 E CA 0.854 57.174 56.400 -0.132 0.000 0.806 38 E CB 0.086 29.732 29.700 -0.089 0.000 0.750 38 E HN 0.298 nan 8.360 nan 0.000 0.458 39 A N 1.121 123.728 122.820 -0.354 0.000 1.968 39 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 39 A C 2.055 179.092 177.584 -0.913 0.000 1.169 39 A CA 1.198 52.893 52.037 -0.570 0.000 0.638 39 A CB -0.268 18.383 19.000 -0.581 0.000 0.812 39 A HN 0.112 nan 8.150 nan 0.000 0.446 40 K N -0.533 119.321 120.400 -0.910 0.000 2.097 40 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 40 K C 2.267 178.771 176.600 -0.161 0.000 1.050 40 K CA 1.489 57.369 56.287 -0.679 0.000 0.938 40 K CB -0.143 32.140 32.500 -0.362 0.000 0.718 40 K HN 0.615 nan 8.250 nan 0.000 0.442 41 Q N 0.537 120.242 119.800 -0.158 0.000 2.079 41 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 41 Q C 2.010 177.967 176.000 -0.072 0.000 0.974 41 Q CA 1.315 57.086 55.803 -0.054 0.000 0.840 41 Q CB 0.027 28.723 28.738 -0.071 0.000 0.898 41 Q HN 0.365 nan 8.270 nan 0.000 0.430 42 I N -0.196 120.269 120.570 -0.176 0.000 2.252 42 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 42 I C 2.129 178.089 176.117 -0.263 0.000 1.102 42 I CA 1.074 62.241 61.300 -0.222 0.000 1.385 42 I CB -0.375 37.459 38.000 -0.277 0.000 1.064 42 I HN 0.311 nan 8.210 nan 0.000 0.414 43 Y N 1.236 121.302 120.300 -0.390 0.000 2.128 43 Y HA -0.299 4.251 4.550 -0.001 0.000 0.284 43 Y C 2.136 177.794 175.900 -0.404 0.000 1.154 43 Y CA 1.852 59.697 58.100 -0.425 0.000 1.149 43 Y CB -0.366 37.809 38.460 -0.475 0.000 0.976 43 Y HN -0.008 nan 8.280 nan 0.000 0.505 44 F N -0.173 119.744 119.950 -0.054 0.000 2.456 44 F HA -0.083 4.443 4.527 -0.001 0.000 0.298 44 F C 2.283 178.025 175.800 -0.096 0.000 1.104 44 F CA 1.119 59.086 58.000 -0.055 0.000 1.435 44 F CB -0.257 38.761 39.000 0.031 0.000 1.078 44 F HN 0.103 nan 8.300 nan 0.000 0.546 45 Q N -0.764 119.032 119.800 -0.007 0.000 2.302 45 Q HA 0.029 4.369 4.340 -0.000 0.000 0.202 45 Q C 1.839 177.795 176.000 -0.074 0.000 0.936 45 Q CA 0.594 56.388 55.803 -0.016 0.000 0.886 45 Q CB 0.302 29.022 28.738 -0.029 0.000 0.986 45 Q HN 0.223 nan 8.270 nan 0.000 0.487 46 R N -1.407 118.958 120.500 -0.226 0.000 2.320 46 R HA 0.166 4.506 4.340 -0.000 0.000 0.193 46 R C 1.822 177.931 176.300 -0.319 0.000 0.885 46 R CA 0.652 56.575 56.100 -0.296 0.000 1.085 46 R CB 0.004 29.907 30.300 -0.661 0.000 1.253 46 R HN 0.216 nan 8.270 nan 0.000 0.636 47 C N 0.242 119.211 119.300 -0.551 0.000 2.487 47 C HA 0.378 4.838 4.460 -0.000 0.000 0.311 47 C C 2.674 177.328 174.990 -0.560 0.000 1.367 47 C CA 0.252 58.911 59.018 -0.598 0.000 1.865 47 C CB -0.522 26.608 27.740 -1.017 0.000 2.277 47 C HN 0.448 nan 8.230 nan 0.000 0.521 48 A N 1.962 124.283 122.820 -0.832 0.000 1.940 48 A HA -0.111 4.209 4.320 -0.000 0.000 0.221 48 A C 2.346 179.878 177.584 -0.087 0.000 1.190 48 A CA 2.554 54.322 52.037 -0.449 0.000 0.647 48 A CB -1.496 17.305 19.000 -0.332 0.000 0.821 48 A HN 0.603 nan 8.150 nan 0.000 0.457 49 G N -1.432 107.350 108.800 -0.031 0.000 2.476 49 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.218 49 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.218 49 G C 1.566 176.494 174.900 0.047 0.000 1.164 49 G CA 1.481 46.621 45.100 0.066 0.000 0.768 49 G HN 0.574 nan 8.290 nan 0.000 0.560 50 C N -1.110 118.197 119.300 0.012 0.000 2.524 50 C HA 0.239 4.699 4.460 -0.000 0.000 0.284 50 C C 2.235 177.159 174.990 -0.110 0.000 1.346 50 C CA 0.189 59.173 59.018 -0.055 0.000 1.739 50 C CB -0.720 26.967 27.740 -0.089 0.000 2.119 50 C HN 0.514 nan 8.230 nan 0.000 0.501 51 H N 0.543 119.604 119.070 -0.015 0.000 2.548 51 H HA 0.257 4.813 4.556 -0.001 0.000 0.265 51 H C 1.413 176.796 175.328 0.091 0.000 0.969 51 H CA 1.048 57.124 56.048 0.047 0.000 1.155 51 H CB -0.053 29.747 29.762 0.064 0.000 1.394 51 H HN 0.583 nan 8.280 nan 0.000 0.570 52 G N 0.227 109.120 108.800 0.154 0.000 2.787 52 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.685 52 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.685 52 G C 0.845 175.838 174.900 0.155 0.000 1.437 52 G CA -0.159 45.028 45.100 0.145 0.000 0.872 52 G HN 0.114 nan 8.290 nan 0.000 0.566 53 V N 0.827 120.802 119.914 0.102 0.000 2.515 53 V HA -0.061 4.059 4.120 -0.000 0.000 0.250 53 V C 2.691 178.756 176.094 -0.047 0.000 1.058 53 V CA 2.426 64.748 62.300 0.037 0.000 1.064 53 V CB -0.506 31.167 31.823 -0.249 0.000 0.675 53 V HN 0.532 nan 8.190 nan 0.000 0.461 54 L N -1.371 119.828 121.223 -0.039 0.000 2.556 54 L HA 0.265 4.605 4.340 -0.000 0.000 0.226 54 L C 1.380 178.233 176.870 -0.028 0.000 1.089 54 L CA 0.184 54.994 54.840 -0.049 0.000 0.864 54 L CB -0.003 42.050 42.059 -0.010 0.000 1.067 54 L HN 0.232 nan 8.230 nan 0.000 0.477 55 R N -1.490 119.036 120.500 0.043 0.000 3.804 55 R HA -0.133 4.207 4.340 -0.000 0.000 0.459 55 R C 0.938 177.274 176.300 0.061 0.000 1.009 55 R CA 0.258 56.410 56.100 0.087 0.000 1.210 55 R CB -1.562 28.758 30.300 0.032 0.000 1.860 55 R HN 0.127 nan 8.270 nan 0.000 0.526 56 K N 1.343 121.739 120.400 -0.007 0.000 2.442 56 K HA -0.006 4.314 4.320 -0.000 0.000 0.198 56 K C 1.079 177.708 176.600 0.049 0.000 1.044 56 K CA 1.419 57.666 56.287 -0.066 0.000 0.948 56 K CB -0.061 32.242 32.500 -0.330 0.000 0.762 56 K HN 0.586 nan 8.250 nan 0.000 0.472 57 G N -0.224 108.651 108.800 0.124 0.000 2.788 57 G HA2 0.053 4.013 3.960 -0.000 0.000 0.686 57 G HA3 0.053 4.013 3.960 -0.000 0.000 0.686 57 G C -0.239 174.804 174.900 0.238 0.000 1.147 57 G CA -0.325 44.872 45.100 0.162 0.000 0.755 57 G HN 0.377 nan 8.290 nan 0.000 0.634 58 A N 1.107 124.028 122.820 0.168 0.000 3.792 58 A HA 0.906 5.225 4.320 -0.000 0.000 0.176 58 A C 2.206 179.865 177.584 0.124 0.000 1.354 58 A CA 1.289 53.483 52.037 0.262 0.000 1.480 58 A CB -0.707 18.380 19.000 0.146 0.000 1.585 58 A HN 1.970 nan 8.150 nan 0.000 0.640 59 T N 0.294 114.767 114.554 -0.134 0.000 2.731 59 T HA -0.117 4.233 4.350 -0.000 0.000 0.263 59 T C 1.086 175.613 174.700 -0.288 0.000 1.033 59 T CA 1.822 63.662 62.100 -0.433 0.000 1.160 59 T CB -0.855 67.820 68.868 -0.322 0.000 0.849 59 T HN 1.108 nan 8.240 nan 0.000 0.469 60 G N 0.058 108.721 108.800 -0.228 0.000 2.932 60 G HA2 0.577 4.537 3.960 -0.000 0.000 0.283 60 G HA3 0.577 4.537 3.960 -0.000 0.000 0.283 60 G C -0.880 173.993 174.900 -0.045 0.000 1.336 60 G CA -1.088 43.917 45.100 -0.159 0.000 1.056 60 G HN 0.234 nan 8.290 nan 0.000 0.522 61 K N 0.967 121.388 120.400 0.036 0.000 2.469 61 K HA 0.143 4.463 4.320 -0.000 0.000 0.274 61 K C -2.185 174.510 176.600 0.159 0.000 0.983 61 K CA -0.768 55.578 56.287 0.099 0.000 0.974 61 K CB 0.380 32.948 32.500 0.113 0.000 0.913 61 K HN 0.203 nan 8.250 nan 0.000 0.493 62 P HA 0.039 nan 4.420 nan 0.000 0.272 62 P C -0.200 177.180 177.300 0.132 0.000 1.223 62 P CA 0.093 63.273 63.100 0.133 0.000 0.784 62 P CB 0.463 32.204 31.700 0.067 0.000 0.923 63 L N 0.616 121.911 121.223 0.119 0.000 3.141 63 L HA 0.165 4.504 4.340 -0.000 0.000 0.267 63 L C 0.683 177.542 176.870 -0.018 0.000 1.281 63 L CA -0.240 54.629 54.840 0.048 0.000 1.037 63 L CB -0.290 41.783 42.059 0.024 0.000 1.407 63 L HN 0.374 nan 8.230 nan 0.000 0.566 64 T N -3.624 110.920 114.554 -0.017 0.000 2.918 64 T HA 0.174 4.524 4.350 -0.000 0.000 0.302 64 T C -1.715 172.955 174.700 -0.050 0.000 1.045 64 T CA -1.432 60.642 62.100 -0.044 0.000 1.114 64 T CB 1.194 70.043 68.868 -0.032 0.000 0.965 64 T HN -0.108 nan 8.240 nan 0.000 0.540 65 P HA -0.238 nan 4.420 nan 0.000 0.218 65 P C 1.490 178.755 177.300 -0.058 0.000 1.154 65 P CA 1.549 64.607 63.100 -0.069 0.000 0.872 65 P CB -0.025 31.628 31.700 -0.079 0.000 0.790 66 D N -0.749 119.622 120.400 -0.049 0.000 2.133 66 D HA -0.185 4.455 4.640 -0.000 0.000 0.195 66 D C 1.763 178.035 176.300 -0.048 0.000 0.997 66 D CA 1.503 55.475 54.000 -0.046 0.000 0.840 66 D CB -1.075 39.703 40.800 -0.037 0.000 0.947 66 D HN 0.123 nan 8.370 nan 0.000 0.452 67 I N 1.452 121.996 120.570 -0.043 0.000 2.235 67 I HA -0.159 4.011 4.170 -0.000 0.000 0.241 67 I C 2.797 178.876 176.117 -0.063 0.000 1.085 67 I CA 1.639 62.909 61.300 -0.050 0.000 1.378 67 I CB -1.684 36.298 38.000 -0.029 0.000 1.076 67 I HN 0.246 nan 8.210 nan 0.000 0.415 68 T N -0.413 114.114 114.554 -0.045 0.000 2.720 68 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 68 T C 1.786 176.463 174.700 -0.038 0.000 1.037 68 T CA 1.384 63.464 62.100 -0.034 0.000 1.144 68 T CB -0.621 68.233 68.868 -0.023 0.000 0.864 68 T HN 0.377 nan 8.240 nan 0.000 0.444 69 Q N 0.540 120.313 119.800 -0.046 0.000 2.224 69 Q HA -0.100 4.240 4.340 -0.000 0.000 0.203 69 Q C 2.563 178.535 176.000 -0.047 0.000 0.970 69 Q CA 1.289 57.066 55.803 -0.043 0.000 0.865 69 Q CB -0.218 28.487 28.738 -0.054 0.000 0.922 69 Q HN 0.731 nan 8.270 nan 0.000 0.445 70 Q N 0.493 120.256 119.800 -0.063 0.000 2.050 70 Q HA -0.169 4.170 4.340 -0.000 0.000 0.202 70 Q C 1.959 177.899 176.000 -0.100 0.000 0.980 70 Q CA 0.965 56.724 55.803 -0.074 0.000 0.840 70 Q CB 0.221 28.909 28.738 -0.084 0.000 0.898 70 Q HN 0.180 nan 8.270 nan 0.000 0.424 71 R N -0.072 120.340 120.500 -0.147 0.000 2.096 71 R HA 0.036 4.376 4.340 -0.000 0.000 0.235 71 R C 0.987 177.266 176.300 -0.035 0.000 1.127 71 R CA 1.072 57.035 56.100 -0.230 0.000 0.968 71 R CB -0.915 29.167 30.300 -0.364 0.000 0.861 71 R HN 0.437 nan 8.270 nan 0.000 0.440 72 G N 0.305 109.106 108.800 0.002 0.000 2.730 72 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.686 72 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.686 72 G C 0.288 175.239 174.900 0.086 0.000 1.343 72 G CA -0.077 45.048 45.100 0.042 0.000 0.826 72 G HN 0.073 nan 8.290 nan 0.000 0.582 73 Q N -0.090 119.752 119.800 0.069 0.000 2.082 73 Q HA -0.203 4.137 4.340 -0.000 0.000 0.211 73 Q C 2.808 178.863 176.000 0.091 0.000 1.002 73 Q CA 2.920 58.767 55.803 0.073 0.000 0.868 73 Q CB -0.388 28.384 28.738 0.056 0.000 0.931 73 Q HN 0.796 nan 8.270 nan 0.000 0.414 74 Q N -1.551 118.307 119.800 0.097 0.000 2.123 74 Q HA -0.149 4.191 4.340 -0.000 0.000 0.199 74 Q C 1.872 177.948 176.000 0.127 0.000 0.966 74 Q CA 1.226 57.086 55.803 0.095 0.000 0.845 74 Q CB -0.220 28.568 28.738 0.083 0.000 0.907 74 Q HN 0.421 nan 8.270 nan 0.000 0.439 75 Y N 1.154 121.479 120.300 0.042 0.000 2.128 75 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 75 Y C 1.676 177.609 175.900 0.055 0.000 1.154 75 Y CA 1.462 59.593 58.100 0.050 0.000 1.149 75 Y CB -0.189 38.295 38.460 0.040 0.000 0.976 75 Y HN 0.018 nan 8.280 nan 0.000 0.505 76 L N -0.049 121.375 121.223 0.335 0.000 1.989 76 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 76 L C 2.501 179.424 176.870 0.088 0.000 1.071 76 L CA 1.927 56.900 54.840 0.221 0.000 0.749 76 L CB -0.707 41.446 42.059 0.158 0.000 0.890 76 L HN 0.262 nan 8.230 nan 0.000 0.431 77 E N 0.107 120.344 120.200 0.061 0.000 2.058 77 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 77 E C 2.264 178.846 176.600 -0.029 0.000 0.997 77 E CA 1.328 57.736 56.400 0.014 0.000 0.801 77 E CB -0.163 29.546 29.700 0.016 0.000 0.746 77 E HN 0.516 nan 8.360 nan 0.000 0.450 78 A N 1.388 124.198 122.820 -0.016 0.000 1.858 78 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 78 A C 2.216 179.795 177.584 -0.008 0.000 1.190 78 A CA 1.073 53.114 52.037 0.007 0.000 0.617 78 A CB -0.759 18.262 19.000 0.036 0.000 0.827 78 A HN 0.236 nan 8.150 nan 0.000 0.443 79 L N -0.335 120.836 121.223 -0.087 0.000 2.012 79 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 79 L C 2.417 179.315 176.870 0.047 0.000 1.073 79 L CA 1.629 56.444 54.840 -0.042 0.000 0.748 79 L CB -0.258 41.765 42.059 -0.061 0.000 0.891 79 L HN 0.455 nan 8.230 nan 0.000 0.431 80 I N -1.004 119.600 120.570 0.057 0.000 2.286 80 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 80 I C 2.308 178.482 176.117 0.095 0.000 1.115 80 I CA 1.633 63.013 61.300 0.133 0.000 1.392 80 I CB -0.577 37.465 38.000 0.069 0.000 1.065 80 I HN 0.287 nan 8.210 nan 0.000 0.418 81 T N -0.205 114.284 114.554 -0.108 0.000 2.746 81 T HA -0.174 4.175 4.350 -0.000 0.000 0.267 81 T C 1.407 175.819 174.700 -0.480 0.000 1.039 81 T CA 1.685 63.567 62.100 -0.362 0.000 1.142 81 T CB -0.229 68.227 68.868 -0.686 0.000 0.866 81 T HN 0.315 nan 8.240 nan 0.000 0.444 82 Y N 0.369 120.667 120.300 -0.004 0.000 2.462 82 Y HA 0.451 5.001 4.550 -0.000 0.000 0.253 82 Y C 1.747 177.617 175.900 -0.050 0.000 1.095 82 Y CA -0.222 57.856 58.100 -0.036 0.000 1.283 82 Y CB -0.233 38.200 38.460 -0.045 0.000 1.138 82 Y HN 0.375 nan 8.280 nan 0.000 0.522 83 G N 0.866 109.717 108.800 0.084 0.000 2.598 83 G HA2 -0.074 3.885 3.960 -0.000 0.000 0.244 83 G HA3 -0.074 3.885 3.960 -0.000 0.000 0.244 83 G C -0.137 174.794 174.900 0.052 0.000 1.302 83 G CA -0.071 45.056 45.100 0.045 0.000 0.903 83 G HN 0.652 nan 8.290 nan 0.000 0.575 84 T N -2.965 111.603 114.554 0.025 0.000 2.843 84 T HA 0.770 5.120 4.350 -0.000 0.000 0.302 84 T C -2.076 172.621 174.700 -0.005 0.000 1.232 84 T CA -0.100 62.011 62.100 0.019 0.000 1.009 84 T CB 2.620 71.510 68.868 0.037 0.000 1.254 84 T HN 0.801 nan 8.240 nan 0.000 0.504 85 P HA 0.286 nan 4.420 nan 0.000 0.253 85 P C 0.553 177.841 177.300 -0.021 0.000 1.260 85 P CA 0.028 63.117 63.100 -0.019 0.000 0.800 85 P CB 0.037 31.727 31.700 -0.016 0.000 1.162 86 L N -0.983 120.231 121.223 -0.015 0.000 2.872 86 L HA 0.416 4.756 4.340 -0.000 0.000 0.245 86 L C 1.309 178.155 176.870 -0.039 0.000 1.211 86 L CA 0.392 55.218 54.840 -0.023 0.000 1.013 86 L CB -0.207 41.846 42.059 -0.010 0.000 1.326 86 L HN 0.101 nan 8.230 nan 0.000 0.525 87 G N 0.320 109.094 108.800 -0.043 0.000 2.229 87 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.189 87 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.189 87 G C 0.040 174.915 174.900 -0.042 0.000 1.000 87 G CA -0.201 44.864 45.100 -0.060 0.000 0.663 87 G HN 0.177 nan 8.290 nan 0.000 0.493 88 M N 3.858 123.453 119.600 -0.008 0.000 2.151 88 M HA 0.520 5.000 4.480 -0.000 0.000 0.349 88 M C -2.034 174.245 176.300 -0.036 0.000 1.284 88 M CA -3.290 52.037 55.300 0.045 0.000 1.173 88 M CB 0.513 33.180 32.600 0.112 0.000 1.469 88 M HN 0.046 nan 8.290 nan 0.000 0.439 89 P HA 0.000 nan 4.420 nan 0.000 0.266 89 P C -1.113 175.851 177.300 -0.560 0.000 1.193 89 P CA 0.257 63.097 63.100 -0.434 0.000 0.770 89 P CB 0.050 31.311 31.700 -0.733 0.000 0.836 90 N N 2.109 120.535 118.700 -0.457 0.000 2.555 90 N HA 0.018 4.758 4.740 -0.000 0.000 0.244 90 N C 0.049 175.335 175.510 -0.373 0.000 1.114 90 N CA -0.442 52.432 53.050 -0.294 0.000 0.963 90 N CB 0.076 38.482 38.487 -0.135 0.000 1.276 90 N HN 0.474 nan 8.380 nan 0.000 0.510 91 W N 2.063 123.320 121.300 -0.071 0.000 2.595 91 W HA 0.137 4.797 4.660 -0.001 0.000 0.257 91 W C 2.014 178.473 176.519 -0.099 0.000 1.267 91 W CA 0.347 57.645 57.345 -0.078 0.000 1.300 91 W CB 0.098 29.512 29.460 -0.077 0.000 1.120 91 W HN 0.607 nan 8.180 nan 0.000 0.618 92 G N -0.595 108.208 108.800 0.006 0.000 2.524 92 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.210 92 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.210 92 G C 1.587 176.442 174.900 -0.075 0.000 1.187 92 G CA 0.822 45.874 45.100 -0.078 0.000 0.825 92 G HN 0.090 nan 8.290 nan 0.000 0.558 93 S N 1.434 117.078 115.700 -0.094 0.000 2.374 93 S HA -0.214 4.256 4.470 -0.000 0.000 0.227 93 S C 2.695 177.282 174.600 -0.022 0.000 1.037 93 S CA 2.023 60.216 58.200 -0.011 0.000 1.024 93 S CB -0.405 62.832 63.200 0.061 0.000 0.861 93 S HN 0.617 nan 8.310 nan 0.000 0.456 94 S N 0.479 116.145 115.700 -0.055 0.000 2.453 94 S HA 0.220 4.689 4.470 -0.000 0.000 0.231 94 S C 1.642 176.225 174.600 -0.028 0.000 1.005 94 S CA 0.939 59.102 58.200 -0.062 0.000 0.949 94 S CB -0.491 62.633 63.200 -0.126 0.000 0.774 94 S HN 0.945 nan 8.310 nan 0.000 0.510 95 G N 0.809 109.604 108.800 -0.009 0.000 2.143 95 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.249 95 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.249 95 G C 0.631 175.554 174.900 0.039 0.000 0.981 95 G CA 0.424 45.530 45.100 0.011 0.000 0.665 95 G HN 0.400 nan 8.290 nan 0.000 0.528 96 E N -0.410 119.834 120.200 0.073 0.000 2.051 96 E HA 0.087 4.437 4.350 -0.000 0.000 0.192 96 E C 1.535 178.227 176.600 0.153 0.000 0.991 96 E CA 0.964 57.455 56.400 0.152 0.000 0.799 96 E CB -0.026 29.861 29.700 0.312 0.000 0.748 96 E HN 0.683 nan 8.360 nan 0.000 0.449 97 L N 0.013 121.327 121.223 0.153 0.000 2.341 97 L HA 0.283 4.623 4.340 -0.000 0.000 0.267 97 L C 0.272 177.162 176.870 0.034 0.000 1.009 97 L CA -0.855 54.029 54.840 0.072 0.000 0.819 97 L CB 2.040 44.127 42.059 0.048 0.000 1.323 97 L HN -0.109 nan 8.230 nan 0.000 0.425 98 S N 0.100 115.802 115.700 0.003 0.000 2.652 98 S HA 0.263 4.733 4.470 -0.000 0.000 0.270 98 S C 0.816 175.406 174.600 -0.016 0.000 1.243 98 S CA -0.668 57.528 58.200 -0.006 0.000 0.999 98 S CB 1.591 64.786 63.200 -0.009 0.000 0.973 98 S HN 0.522 nan 8.310 nan 0.000 0.544 99 K N 0.949 121.339 120.400 -0.018 0.000 2.103 99 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 99 K C 1.797 178.385 176.600 -0.019 0.000 1.048 99 K CA 1.780 58.054 56.287 -0.023 0.000 0.930 99 K CB -0.733 31.758 32.500 -0.015 0.000 0.716 99 K HN 0.767 nan 8.250 nan 0.000 0.444 100 E N 0.384 120.575 120.200 -0.015 0.000 2.077 100 E HA -0.138 4.211 4.350 -0.000 0.000 0.193 100 E C 2.177 178.762 176.600 -0.025 0.000 0.989 100 E CA 1.191 57.582 56.400 -0.015 0.000 0.800 100 E CB -0.086 29.607 29.700 -0.012 0.000 0.746 100 E HN 0.366 nan 8.360 nan 0.000 0.452 101 Q N -0.069 119.710 119.800 -0.035 0.000 2.079 101 Q HA -0.047 4.293 4.340 -0.000 0.000 0.200 101 Q C 2.280 178.239 176.000 -0.068 0.000 0.974 101 Q CA 1.004 56.772 55.803 -0.059 0.000 0.840 101 Q CB -0.112 28.585 28.738 -0.069 0.000 0.898 101 Q HN 0.324 nan 8.270 nan 0.000 0.430 102 I N 0.439 120.977 120.570 -0.053 0.000 2.361 102 I HA -0.258 3.912 4.170 -0.000 0.000 0.251 102 I C 2.077 178.177 176.117 -0.029 0.000 1.133 102 I CA 1.053 62.323 61.300 -0.050 0.000 1.413 102 I CB -0.329 37.649 38.000 -0.037 0.000 1.073 102 I HN 0.215 nan 8.210 nan 0.000 0.424 103 T N 1.216 115.759 114.554 -0.018 0.000 2.777 103 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 103 T C 1.986 176.692 174.700 0.010 0.000 1.040 103 T CA 1.129 63.231 62.100 0.003 0.000 1.141 103 T CB -0.241 68.630 68.868 0.006 0.000 0.868 103 T HN 0.250 nan 8.240 nan 0.000 0.444 104 L N 0.326 121.543 121.223 -0.010 0.000 2.046 104 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 104 L C 2.664 179.531 176.870 -0.005 0.000 1.077 104 L CA 0.951 55.783 54.840 -0.012 0.000 0.747 104 L CB -0.412 41.616 42.059 -0.051 0.000 0.896 104 L HN 0.278 nan 8.230 nan 0.000 0.432 105 M N -0.885 118.694 119.600 -0.036 0.000 2.175 105 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 105 M C 2.538 178.877 176.300 0.065 0.000 1.063 105 M CA 1.724 57.015 55.300 -0.015 0.000 1.119 105 M CB -1.354 31.188 32.600 -0.097 0.000 1.377 105 M HN 0.249 nan 8.290 nan 0.000 0.415 106 A N 0.364 123.210 122.820 0.043 0.000 1.972 106 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 106 A C 2.302 179.938 177.584 0.086 0.000 1.169 106 A CA 1.524 53.598 52.037 0.061 0.000 0.635 106 A CB -0.451 18.581 19.000 0.053 0.000 0.810 106 A HN 0.483 nan 8.150 nan 0.000 0.446 107 K N -1.876 118.587 120.400 0.105 0.000 2.062 107 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 107 K C 1.993 178.732 176.600 0.233 0.000 1.051 107 K CA 1.406 57.786 56.287 0.155 0.000 0.941 107 K CB -0.368 32.219 32.500 0.145 0.000 0.719 107 K HN 0.573 nan 8.250 nan 0.000 0.440 108 Y N 2.725 123.037 120.300 0.020 0.000 2.097 108 Y HA -0.205 4.345 4.550 -0.001 0.000 0.282 108 Y C 1.892 177.782 175.900 -0.017 0.000 1.152 108 Y CA 1.641 59.700 58.100 -0.067 0.000 1.136 108 Y CB -0.304 38.012 38.460 -0.241 0.000 0.975 108 Y HN 0.050 nan 8.280 nan 0.000 0.498 109 I N -1.131 119.414 120.570 -0.041 0.000 3.241 109 I HA -0.163 4.007 4.170 -0.000 0.000 0.280 109 I C 1.386 177.440 176.117 -0.105 0.000 1.320 109 I CA 1.229 62.435 61.300 -0.157 0.000 1.413 109 I CB -0.553 37.426 38.000 -0.035 0.000 1.060 109 I HN 0.343 nan 8.210 nan 0.000 0.500 110 Q N 0.063 119.853 119.800 -0.016 0.000 2.360 110 Q HA 0.187 4.527 4.340 -0.000 0.000 0.202 110 Q C 0.156 176.102 176.000 -0.090 0.000 0.915 110 Q CA 0.127 55.913 55.803 -0.029 0.000 0.943 110 Q CB 0.242 28.980 28.738 0.000 0.000 1.064 110 Q HN 0.669 nan 8.270 nan 0.000 0.511 111 H N -0.224 118.770 119.070 -0.128 0.000 2.544 111 H HA 0.229 4.785 4.556 -0.001 0.000 0.342 111 H C -0.127 175.114 175.328 -0.145 0.000 1.185 111 H CA -0.524 55.470 56.048 -0.090 0.000 1.264 111 H CB 1.472 31.248 29.762 0.024 0.000 1.607 111 H HN -0.066 nan 8.280 nan 0.000 0.550 112 T N 3.840 118.410 114.554 0.025 0.000 2.928 112 T HA 0.058 4.408 4.350 -0.000 0.000 0.305 112 T C -2.183 172.489 174.700 -0.047 0.000 1.035 112 T CA -0.865 61.220 62.100 -0.025 0.000 1.145 112 T CB 0.163 69.028 68.868 -0.005 0.000 0.963 112 T HN 0.293 nan 8.240 nan 0.000 0.545 113 P HA 0.221 nan 4.420 nan 0.000 0.267 113 P C -2.312 174.975 177.300 -0.022 0.000 1.205 113 P CA -1.100 61.910 63.100 -0.151 0.000 0.765 113 P CB -0.302 31.305 31.700 -0.155 0.000 0.828 114 P HA 0.078 nan 4.420 nan 0.000 0.269 114 P C -0.494 176.846 177.300 0.066 0.000 1.215 114 P CA 0.053 63.234 63.100 0.135 0.000 0.780 114 P CB 0.427 32.286 31.700 0.266 0.000 0.898 115 Q N 2.842 122.679 119.800 0.061 0.000 2.303 115 Q HA 0.316 4.656 4.340 -0.000 0.000 0.257 115 Q C -1.894 174.137 176.000 0.051 0.000 0.941 115 Q CA -1.504 54.331 55.803 0.054 0.000 0.931 115 Q CB 0.834 29.629 28.738 0.095 0.000 1.215 115 Q HN 0.424 nan 8.270 nan 0.000 0.437 116 P HA 0.341 nan 4.420 nan 0.000 0.279 116 P C -2.499 174.982 177.300 0.302 0.000 1.252 116 P CA -1.313 61.802 63.100 0.025 0.000 0.811 116 P CB 0.221 31.744 31.700 -0.296 0.000 1.035 117 P HA 0.104 nan 4.420 nan 0.000 0.270 117 P C -0.016 177.551 177.300 0.444 0.000 1.223 117 P CA 0.129 63.424 63.100 0.326 0.000 0.785 117 P CB 0.998 32.863 31.700 0.274 0.000 0.923 118 E N 0.185 120.562 120.200 0.296 0.000 2.602 118 E HA 0.262 4.612 4.350 -0.000 0.000 0.255 118 E C -0.652 176.125 176.600 0.295 0.000 1.268 118 E CA -0.074 56.443 56.400 0.195 0.000 1.007 118 E CB 0.769 30.523 29.700 0.090 0.000 1.208 118 E HN 0.604 nan 8.360 nan 0.000 0.584 119 W N 0.476 121.739 121.300 -0.061 0.000 2.320 119 W HA 0.354 5.014 4.660 -0.000 0.000 0.287 119 W C -0.854 175.628 176.519 -0.062 0.000 1.041 119 W CA -0.269 57.052 57.345 -0.040 0.000 1.148 119 W CB 0.768 30.207 29.460 -0.034 0.000 1.046 119 W HN 0.552 nan 8.180 nan 0.000 0.295 120 G N 1.868 110.544 108.800 -0.205 0.000 2.671 120 G HA2 0.315 4.275 3.960 -0.000 0.000 0.275 120 G HA3 0.315 4.275 3.960 -0.000 0.000 0.275 120 G C 0.420 175.166 174.900 -0.256 0.000 1.368 120 G CA -0.445 44.551 45.100 -0.174 0.000 1.044 120 G HN 0.343 nan 8.290 nan 0.000 0.543 121 M N 0.305 119.805 119.600 -0.167 0.000 2.106 121 M HA 0.002 4.482 4.480 -0.000 0.000 0.259 121 M C -0.361 175.835 176.300 -0.173 0.000 1.068 121 M CA 1.812 57.024 55.300 -0.147 0.000 1.100 121 M CB -1.027 31.511 32.600 -0.104 0.000 1.351 121 M HN 0.282 nan 8.290 nan 0.000 0.404 122 P HA -0.152 nan 4.420 nan 0.000 0.215 122 P C 0.980 178.122 177.300 -0.263 0.000 1.157 122 P CA 1.559 64.554 63.100 -0.175 0.000 0.868 122 P CB -0.035 31.570 31.700 -0.159 0.000 0.788 123 E N -1.472 118.433 120.200 -0.492 0.000 2.072 123 E HA -0.118 4.231 4.350 -0.000 0.000 0.191 123 E C 2.081 178.305 176.600 -0.627 0.000 0.985 123 E CA 1.167 57.065 56.400 -0.838 0.000 0.801 123 E CB -0.647 27.960 29.700 -1.821 0.000 0.750 123 E HN 0.197 nan 8.360 nan 0.000 0.452 124 M N 0.050 119.371 119.600 -0.465 0.000 2.059 124 M HA -0.177 4.302 4.480 -0.000 0.000 0.259 124 M C 2.249 178.589 176.300 0.066 0.000 1.072 124 M CA 1.617 56.895 55.300 -0.036 0.000 1.117 124 M CB -0.240 32.356 32.600 -0.006 0.000 1.320 124 M HN 0.024 nan 8.290 nan 0.000 0.408 125 R N -0.158 120.355 120.500 0.021 0.000 2.091 125 R HA -0.209 4.131 4.340 -0.000 0.000 0.238 125 R C 2.057 178.468 176.300 0.184 0.000 1.136 125 R CA 1.702 57.898 56.100 0.160 0.000 0.959 125 R CB -0.525 29.837 30.300 0.102 0.000 0.856 125 R HN 0.338 nan 8.270 nan 0.000 0.437 126 E N 1.136 121.369 120.200 0.055 0.000 2.118 126 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 126 E C 1.753 178.415 176.600 0.103 0.000 0.992 126 E CA 2.025 58.451 56.400 0.044 0.000 0.804 126 E CB -0.069 29.612 29.700 -0.032 0.000 0.741 126 E HN 0.302 nan 8.360 nan 0.000 0.458 127 S N -1.102 114.696 115.700 0.163 0.000 2.527 127 S HA -0.035 4.435 4.470 -0.000 0.000 0.222 127 S C 0.478 175.235 174.600 0.261 0.000 0.985 127 S CA -0.132 58.207 58.200 0.232 0.000 0.921 127 S CB -0.516 62.905 63.200 0.368 0.000 0.772 127 S HN 0.414 nan 8.310 nan 0.000 0.529 128 W N 3.404 124.739 121.300 0.058 0.000 2.253 128 W HA 0.501 5.161 4.660 -0.001 0.000 0.322 128 W C -0.505 176.030 176.519 0.028 0.000 1.342 128 W CA -1.034 56.334 57.345 0.040 0.000 1.218 128 W CB 0.199 29.673 29.460 0.023 0.000 1.205 128 W HN 0.017 nan 8.180 nan 0.000 0.551 129 K N 4.968 125.237 120.400 -0.218 0.000 2.513 129 K HA 0.418 4.737 4.320 -0.000 0.000 0.251 129 K C -1.600 174.777 176.600 -0.372 0.000 0.939 129 K CA -1.024 55.048 56.287 -0.359 0.000 0.793 129 K CB 2.255 34.688 32.500 -0.112 0.000 1.241 129 K HN 0.121 nan 8.250 nan 0.000 0.431 130 V N 5.247 124.889 119.914 -0.455 0.000 2.311 130 V HA 0.170 4.290 4.120 -0.000 0.000 0.275 130 V C 1.099 177.107 176.094 -0.143 0.000 1.022 130 V CA -0.469 61.685 62.300 -0.243 0.000 0.830 130 V CB 0.677 32.341 31.823 -0.265 0.000 1.012 130 V HN 0.758 nan 8.190 nan 0.000 0.452 131 L N 4.199 125.383 121.223 -0.066 0.000 2.095 131 L HA 0.138 4.478 4.340 -0.000 0.000 0.204 131 L C 0.400 177.259 176.870 -0.018 0.000 1.080 131 L CA 1.056 55.875 54.840 -0.036 0.000 0.759 131 L CB 0.030 42.086 42.059 -0.005 0.000 0.914 131 L HN 0.432 nan 8.230 nan 0.000 0.439 132 V N 0.588 120.502 119.914 0.000 0.000 2.488 132 V HA 0.209 4.329 4.120 -0.000 0.000 0.293 132 V C -0.264 175.843 176.094 0.021 0.000 1.027 132 V CA -1.080 61.231 62.300 0.018 0.000 0.862 132 V CB 1.598 33.448 31.823 0.046 0.000 1.008 132 V HN 0.122 nan 8.190 nan 0.000 0.428 133 K N 5.054 125.460 120.400 0.011 0.000 2.380 133 K HA 0.151 4.470 4.320 -0.000 0.000 0.267 133 K C -1.649 174.974 176.600 0.038 0.000 0.990 133 K CA -1.111 55.185 56.287 0.016 0.000 0.946 133 K CB 0.696 33.200 32.500 0.007 0.000 0.937 133 K HN 0.303 nan 8.250 nan 0.000 0.491 134 P HA -0.197 nan 4.420 nan 0.000 0.217 134 P C 0.285 177.618 177.300 0.054 0.000 1.148 134 P CA 1.325 64.456 63.100 0.051 0.000 0.828 134 P CB 0.274 31.994 31.700 0.033 0.000 0.783 135 E N -0.493 119.732 120.200 0.041 0.000 2.077 135 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 135 E C 1.525 178.152 176.600 0.045 0.000 0.989 135 E CA 1.265 57.688 56.400 0.039 0.000 0.800 135 E CB -1.052 28.665 29.700 0.028 0.000 0.746 135 E HN 0.318 nan 8.360 nan 0.000 0.452 136 D N 0.330 120.756 120.400 0.043 0.000 2.347 136 D HA -0.016 4.624 4.640 -0.000 0.000 0.215 136 D C 0.163 176.500 176.300 0.061 0.000 0.976 136 D CA 0.343 54.369 54.000 0.044 0.000 0.884 136 D CB 0.006 40.826 40.800 0.033 0.000 0.915 136 D HN 0.097 nan 8.370 nan 0.000 0.526 137 R N 1.403 121.949 120.500 0.078 0.000 2.539 137 R HA 0.278 4.617 4.340 -0.000 0.000 0.275 137 R C -2.130 174.240 176.300 0.117 0.000 1.077 137 R CA -1.388 54.775 56.100 0.103 0.000 1.097 137 R CB -0.029 30.349 30.300 0.130 0.000 1.018 137 R HN -0.056 nan 8.270 nan 0.000 0.483 138 P HA -0.058 nan 4.420 nan 0.000 0.270 138 P C -0.119 177.314 177.300 0.222 0.000 1.221 138 P CA 0.104 63.299 63.100 0.158 0.000 0.788 138 P CB 0.574 32.383 31.700 0.180 0.000 0.904 139 K N 0.422 120.928 120.400 0.177 0.000 2.354 139 K HA 0.091 4.411 4.320 -0.000 0.000 0.194 139 K C 0.557 177.283 176.600 0.210 0.000 1.038 139 K CA 0.654 57.063 56.287 0.203 0.000 1.052 139 K CB 0.288 32.852 32.500 0.105 0.000 0.861 139 K HN 0.557 nan 8.250 nan 0.000 0.535 140 K N 0.054 120.468 120.400 0.024 0.000 2.499 140 K HA 0.212 4.532 4.320 -0.000 0.000 0.277 140 K C -0.926 175.291 176.600 -0.639 0.000 1.025 140 K CA -0.934 55.055 56.287 -0.496 0.000 0.900 140 K CB 1.048 33.329 32.500 -0.365 0.000 1.494 140 K HN -0.247 nan 8.250 nan 0.000 0.442 141 Q N 1.432 120.560 119.800 -1.121 0.000 2.263 141 Q HA 0.093 4.432 4.340 -0.000 0.000 0.270 141 Q C -0.188 175.625 176.000 -0.311 0.000 1.104 141 Q CA -0.090 55.238 55.803 -0.791 0.000 0.909 141 Q CB 0.278 28.517 28.738 -0.832 0.000 1.214 141 Q HN 0.588 nan 8.270 nan 0.000 0.400 142 L N 3.776 124.921 121.223 -0.131 0.000 2.653 142 L HA 0.138 4.478 4.340 -0.000 0.000 0.232 142 L C -0.263 176.585 176.870 -0.038 0.000 1.169 142 L CA -0.172 54.632 54.840 -0.061 0.000 0.951 142 L CB -0.810 41.246 42.059 -0.005 0.000 1.181 142 L HN 0.614 nan 8.230 nan 0.000 0.460 143 N N -2.455 116.215 118.700 -0.049 0.000 2.774 143 N HA 0.261 5.001 4.740 -0.000 0.000 0.264 143 N C -0.900 174.588 175.510 -0.036 0.000 1.415 143 N CA -0.921 52.116 53.050 -0.022 0.000 0.815 143 N CB 0.729 39.222 38.487 0.009 0.000 1.514 143 N HN -0.109 nan 8.380 nan 0.000 0.523 144 D N -0.099 120.291 120.400 -0.017 0.000 2.894 144 D HA 0.234 4.874 4.640 -0.000 0.000 0.273 144 D C -0.316 175.985 176.300 0.002 0.000 1.328 144 D CA -0.206 53.783 54.000 -0.018 0.000 0.845 144 D CB -0.265 40.525 40.800 -0.016 0.000 1.072 144 D HN 0.371 nan 8.370 nan 0.000 0.484 145 L N 0.169 121.399 121.223 0.012 0.000 2.418 145 L HA 0.217 4.557 4.340 -0.000 0.000 0.265 145 L C 0.626 177.517 176.870 0.035 0.000 1.143 145 L CA -0.530 54.329 54.840 0.033 0.000 0.809 145 L CB 0.921 43.009 42.059 0.049 0.000 1.124 145 L HN -0.111 nan 8.230 nan 0.000 0.456 146 D N 2.023 122.451 120.400 0.047 0.000 2.563 146 D HA 0.156 4.796 4.640 -0.000 0.000 0.222 146 D C 1.187 177.526 176.300 0.066 0.000 1.145 146 D CA -0.047 53.983 54.000 0.049 0.000 1.001 146 D CB 0.340 41.170 40.800 0.050 0.000 1.049 146 D HN 0.383 nan 8.370 nan 0.000 0.515 147 L N 2.369 123.638 121.223 0.077 0.000 2.051 147 L HA -0.159 4.181 4.340 -0.000 0.000 0.214 147 L C -0.512 176.413 176.870 0.092 0.000 1.076 147 L CA 1.318 56.215 54.840 0.095 0.000 0.758 147 L CB -1.480 40.660 42.059 0.136 0.000 0.890 147 L HN 0.308 nan 8.230 nan 0.000 0.433 148 P HA -0.152 nan 4.420 nan 0.000 0.216 148 P C 0.965 178.305 177.300 0.067 0.000 1.150 148 P CA 1.343 64.523 63.100 0.133 0.000 0.837 148 P CB -0.020 31.761 31.700 0.135 0.000 0.786 149 N N -1.462 117.262 118.700 0.039 0.000 2.268 149 N HA 0.045 4.784 4.740 -0.000 0.000 0.204 149 N C -0.032 175.498 175.510 0.033 0.000 1.124 149 N CA -0.084 52.976 53.050 0.016 0.000 0.838 149 N CB -0.540 37.991 38.487 0.073 0.000 0.994 149 N HN -0.094 nan 8.380 nan 0.000 0.489 150 L N 0.379 121.613 121.223 0.019 0.000 2.452 150 L HA 0.305 4.645 4.340 -0.000 0.000 0.267 150 L C -0.597 176.246 176.870 -0.045 0.000 1.188 150 L CA 0.405 55.284 54.840 0.065 0.000 0.821 150 L CB 0.108 42.204 42.059 0.062 0.000 1.102 150 L HN 0.007 nan 8.230 nan 0.000 0.470 151 F N 1.325 121.202 119.950 -0.122 0.000 2.460 151 F HA 0.283 4.810 4.527 -0.000 0.000 0.341 151 F C 0.301 176.064 175.800 -0.062 0.000 1.130 151 F CA -0.423 57.469 58.000 -0.180 0.000 0.962 151 F CB 1.775 40.522 39.000 -0.421 0.000 1.171 151 F HN 0.331 nan 8.300 nan 0.000 0.436 152 S N 3.811 119.588 115.700 0.129 0.000 2.416 152 S HA 0.578 5.048 4.470 -0.000 0.000 0.287 152 S C -0.679 174.022 174.600 0.169 0.000 1.139 152 S CA -0.442 57.843 58.200 0.141 0.000 1.058 152 S CB 0.009 63.284 63.200 0.124 0.000 0.967 152 S HN 0.345 nan 8.310 nan 0.000 0.495 153 V N 5.565 125.551 119.914 0.119 0.000 2.435 153 V HA 0.369 4.489 4.120 -0.000 0.000 0.290 153 V C 0.424 176.544 176.094 0.044 0.000 1.030 153 V CA -0.801 61.544 62.300 0.073 0.000 0.881 153 V CB 1.814 33.678 31.823 0.068 0.000 0.983 153 V HN 0.827 nan 8.190 nan 0.000 0.445 154 T N 6.629 121.186 114.554 0.005 0.000 2.737 154 T HA 0.381 4.730 4.350 -0.000 0.000 0.296 154 T C 0.284 174.945 174.700 -0.066 0.000 0.922 154 T CA -0.069 62.010 62.100 -0.034 0.000 1.079 154 T CB 0.069 68.891 68.868 -0.077 0.000 0.892 154 T HN 0.409 nan 8.240 nan 0.000 0.514 155 L N 4.644 125.844 121.223 -0.038 0.000 2.512 155 L HA 0.334 4.674 4.340 -0.000 0.000 0.247 155 L C 1.988 178.826 176.870 -0.053 0.000 1.204 155 L CA -0.547 54.279 54.840 -0.023 0.000 1.153 155 L CB -0.299 41.768 42.059 0.013 0.000 1.415 155 L HN 0.681 nan 8.230 nan 0.000 0.406 156 R N 1.206 121.641 120.500 -0.109 0.000 2.273 156 R HA -0.285 4.055 4.340 -0.000 0.000 0.229 156 R C 1.116 177.289 176.300 -0.212 0.000 1.104 156 R CA 2.881 58.878 56.100 -0.172 0.000 0.870 156 R CB -0.014 30.190 30.300 -0.160 0.000 0.894 156 R HN 0.519 nan 8.270 nan 0.000 0.421 157 D N -0.685 119.691 120.400 -0.039 0.000 2.309 157 D HA -0.072 4.568 4.640 -0.000 0.000 0.212 157 D C 1.339 177.742 176.300 0.171 0.000 0.968 157 D CA 1.239 55.295 54.000 0.093 0.000 0.882 157 D CB -0.034 40.889 40.800 0.206 0.000 0.918 157 D HN 0.501 nan 8.370 nan 0.000 0.503 158 A N -0.035 122.833 122.820 0.079 0.000 2.123 158 A HA 0.387 4.707 4.320 -0.000 0.000 0.214 158 A C 1.751 179.398 177.584 0.104 0.000 1.152 158 A CA 0.776 52.873 52.037 0.101 0.000 0.728 158 A CB -0.388 18.652 19.000 0.067 0.000 0.814 158 A HN 0.218 nan 8.150 nan 0.000 0.464 159 G N -0.481 108.343 108.800 0.041 0.000 2.333 159 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.296 159 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.296 159 G C -0.199 174.730 174.900 0.048 0.000 1.059 159 G CA 0.653 45.788 45.100 0.059 0.000 1.050 159 G HN 0.753 nan 8.290 nan 0.000 0.508 160 Q N -1.659 118.152 119.800 0.018 0.000 2.707 160 Q HA 0.754 5.094 4.340 -0.000 0.000 0.307 160 Q C -0.361 175.647 176.000 0.015 0.000 0.934 160 Q CA -0.898 54.921 55.803 0.028 0.000 0.753 160 Q CB 1.862 30.623 28.738 0.039 0.000 1.478 160 Q HN 0.893 nan 8.270 nan 0.000 0.458 161 I N -2.691 117.895 120.570 0.028 0.000 2.802 161 I HA 0.925 5.095 4.170 -0.000 0.000 0.298 161 I C -1.496 174.648 176.117 0.046 0.000 1.176 161 I CA -0.879 60.441 61.300 0.033 0.000 1.025 161 I CB 2.336 40.358 38.000 0.036 0.000 1.243 161 I HN 0.588 nan 8.210 nan 0.000 0.424 162 A N 5.870 128.722 122.820 0.055 0.000 2.331 162 A HA 0.823 5.143 4.320 -0.000 0.000 0.320 162 A C -0.839 176.794 177.584 0.081 0.000 1.138 162 A CA -0.622 51.453 52.037 0.064 0.000 0.790 162 A CB 1.013 20.051 19.000 0.063 0.000 1.206 162 A HN 0.795 nan 8.150 nan 0.000 0.470 163 L N 3.267 124.539 121.223 0.081 0.000 2.261 163 L HA 0.368 4.708 4.340 -0.000 0.000 0.289 163 L C -0.644 176.290 176.870 0.108 0.000 1.059 163 L CA -0.535 54.362 54.840 0.095 0.000 0.816 163 L CB 1.105 43.213 42.059 0.082 0.000 1.191 163 L HN 0.434 nan 8.230 nan 0.000 0.431 164 V N 2.341 122.338 119.914 0.137 0.000 2.427 164 V HA 0.137 4.256 4.120 -0.000 0.000 0.286 164 V C -0.081 176.116 176.094 0.171 0.000 1.034 164 V CA -0.698 61.691 62.300 0.149 0.000 0.893 164 V CB 1.963 33.889 31.823 0.171 0.000 0.982 164 V HN 0.644 nan 8.190 nan 0.000 0.452 165 D N 3.607 124.104 120.400 0.161 0.000 2.383 165 D HA 0.317 4.957 4.640 -0.000 0.000 0.252 165 D C 1.319 177.759 176.300 0.233 0.000 1.166 165 D CA 0.766 54.867 54.000 0.168 0.000 0.879 165 D CB 1.667 42.542 40.800 0.125 0.000 1.164 165 D HN 0.588 nan 8.370 nan 0.000 0.462 166 G N 3.391 112.350 108.800 0.265 0.000 2.514 166 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 166 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 166 G C 1.172 176.281 174.900 0.349 0.000 1.198 166 G CA 0.648 45.953 45.100 0.342 0.000 0.780 166 G HN 0.558 nan 8.290 nan 0.000 0.565 167 D N 0.130 120.660 120.400 0.218 0.000 2.149 167 D HA -0.065 4.575 4.640 -0.000 0.000 0.201 167 D C 2.952 179.316 176.300 0.107 0.000 0.972 167 D CA 1.492 55.583 54.000 0.152 0.000 0.835 167 D CB -0.193 40.669 40.800 0.104 0.000 0.966 167 D HN 0.468 nan 8.370 nan 0.000 0.476 168 S N -0.338 115.424 115.700 0.104 0.000 2.501 168 S HA 0.003 4.473 4.470 -0.000 0.000 0.220 168 S C 0.925 175.558 174.600 0.054 0.000 0.997 168 S CA 0.212 58.450 58.200 0.065 0.000 0.919 168 S CB 0.326 63.560 63.200 0.058 0.000 0.778 168 S HN -0.081 nan 8.310 nan 0.000 0.523 169 K N 0.160 120.621 120.400 0.101 0.000 3.281 169 K HA -0.101 4.218 4.320 -0.000 0.000 0.295 169 K C -0.654 175.978 176.600 0.053 0.000 1.233 169 K CA 0.979 57.304 56.287 0.063 0.000 0.866 169 K CB -1.976 30.476 32.500 -0.080 0.000 1.265 169 K HN 0.606 nan 8.250 nan 0.000 0.482 170 K N -0.029 120.417 120.400 0.077 0.000 2.156 170 K HA 0.490 4.810 4.320 -0.000 0.000 0.250 170 K C 0.074 176.721 176.600 0.078 0.000 0.955 170 K CA -0.908 55.414 56.287 0.060 0.000 0.855 170 K CB 1.390 33.917 32.500 0.045 0.000 1.101 170 K HN -0.012 nan 8.250 nan 0.000 0.434 171 I N 3.133 123.741 120.570 0.064 0.000 2.347 171 I HA -0.054 4.116 4.170 -0.000 0.000 0.294 171 I C 1.163 177.317 176.117 0.061 0.000 1.090 171 I CA -0.109 61.232 61.300 0.069 0.000 1.314 171 I CB 0.782 38.817 38.000 0.058 0.000 1.423 171 I HN 0.470 nan 8.210 nan 0.000 0.503 172 V N 5.365 125.320 119.914 0.069 0.000 2.719 172 V HA -0.053 4.067 4.120 -0.000 0.000 0.252 172 V C 0.624 176.751 176.094 0.055 0.000 1.065 172 V CA 1.314 63.651 62.300 0.061 0.000 1.086 172 V CB -0.579 31.285 31.823 0.068 0.000 0.700 172 V HN 0.727 nan 8.190 nan 0.000 0.467 173 K N -1.044 119.391 120.400 0.058 0.000 2.589 173 K HA 0.501 4.820 4.320 -0.000 0.000 0.265 173 K C -1.891 174.741 176.600 0.054 0.000 0.935 173 K CA -0.298 56.020 56.287 0.053 0.000 0.850 173 K CB 2.179 34.711 32.500 0.054 0.000 1.372 173 K HN -0.206 nan 8.250 nan 0.000 0.420 174 V N 5.284 125.227 119.914 0.048 0.000 2.444 174 V HA 0.574 4.694 4.120 -0.000 0.000 0.294 174 V C -0.458 175.663 176.094 0.045 0.000 1.022 174 V CA -0.628 61.700 62.300 0.047 0.000 0.850 174 V CB 1.292 33.142 31.823 0.045 0.000 0.992 174 V HN 0.641 nan 8.190 nan 0.000 0.426 175 I N 3.547 124.144 120.570 0.046 0.000 2.433 175 I HA 0.419 4.589 4.170 -0.000 0.000 0.292 175 I C -0.363 175.780 176.117 0.043 0.000 1.001 175 I CA -0.714 60.613 61.300 0.045 0.000 1.119 175 I CB 1.920 39.947 38.000 0.046 0.000 1.289 175 I HN 0.480 nan 8.210 nan 0.000 0.438 176 D N 4.850 125.277 120.400 0.045 0.000 2.389 176 D HA 0.291 4.930 4.640 -0.000 0.000 0.247 176 D C 0.319 176.648 176.300 0.048 0.000 1.128 176 D CA 0.465 54.495 54.000 0.049 0.000 0.884 176 D CB 1.542 42.372 40.800 0.050 0.000 1.194 176 D HN 0.698 nan 8.370 nan 0.000 0.441 177 T N -1.845 112.739 114.554 0.050 0.000 2.590 177 T HA 0.605 4.955 4.350 -0.000 0.000 0.282 177 T C 0.462 175.198 174.700 0.060 0.000 0.989 177 T CA -0.992 61.135 62.100 0.046 0.000 1.091 177 T CB 0.799 69.684 68.868 0.029 0.000 1.460 177 T HN 0.232 nan 8.240 nan 0.000 0.499 178 G N -0.581 108.251 108.800 0.053 0.000 2.569 178 G HA2 0.417 4.377 3.960 -0.000 0.000 0.249 178 G HA3 0.417 4.377 3.960 -0.000 0.000 0.249 178 G C -0.925 174.034 174.900 0.098 0.000 1.216 178 G CA -0.519 44.627 45.100 0.076 0.000 0.845 178 G HN 0.690 nan 8.290 nan 0.000 0.568 179 Y N 1.369 121.685 120.300 0.027 0.000 2.620 179 Y HA 0.267 4.816 4.550 -0.001 0.000 0.330 179 Y C 0.947 176.876 175.900 0.048 0.000 1.186 179 Y CA 0.430 58.553 58.100 0.039 0.000 1.467 179 Y CB 0.265 38.749 38.460 0.040 0.000 1.262 179 Y HN 1.299 nan 8.280 nan 0.000 0.550 180 A N 4.067 126.433 122.820 -0.756 0.000 2.362 180 A HA -0.166 4.154 4.320 -0.000 0.000 0.290 180 A C 0.058 177.534 177.584 -0.180 0.000 1.441 180 A CA 0.549 52.267 52.037 -0.532 0.000 0.743 180 A CB -2.507 16.129 19.000 -0.606 0.000 1.125 180 A HN 0.702 nan 8.150 nan 0.000 0.378 181 V N 1.817 121.659 119.914 -0.121 0.000 2.681 181 V HA -0.086 4.034 4.120 -0.000 0.000 0.306 181 V C 1.725 177.803 176.094 -0.027 0.000 1.077 181 V CA 1.596 63.870 62.300 -0.043 0.000 1.224 181 V CB 0.450 32.252 31.823 -0.035 0.000 0.879 181 V HN 0.845 nan 8.190 nan 0.000 0.494 182 H N 4.400 123.434 119.070 -0.060 0.000 2.431 182 H HA 0.362 4.918 4.556 -0.000 0.000 0.295 182 H C 0.531 175.873 175.328 0.023 0.000 1.038 182 H CA 1.313 57.343 56.048 -0.028 0.000 1.360 182 H CB 0.432 30.164 29.762 -0.049 0.000 1.433 182 H HN 0.698 nan 8.280 nan 0.000 0.536 183 I N -3.885 116.701 120.570 0.026 0.000 3.263 183 I HA 0.535 4.705 4.170 -0.000 0.000 0.314 183 I C -1.192 174.683 176.117 -0.403 0.000 1.269 183 I CA -1.091 60.107 61.300 -0.170 0.000 0.942 183 I CB 2.537 40.400 38.000 -0.227 0.000 1.305 183 I HN -0.267 nan 8.210 nan 0.000 0.474 184 S N 1.424 116.510 115.700 -1.023 0.000 2.526 184 S HA 0.746 5.216 4.470 -0.000 0.000 0.293 184 S C -0.879 173.295 174.600 -0.710 0.000 1.092 184 S CA -0.775 57.028 58.200 -0.662 0.000 0.980 184 S CB 1.679 64.646 63.200 -0.388 0.000 1.048 184 S HN 0.462 nan 8.310 nan 0.000 0.483 185 R N 1.591 121.881 120.500 -0.350 0.000 2.771 185 R HA 0.530 4.869 4.340 -0.000 0.000 0.274 185 R C -1.254 174.968 176.300 -0.130 0.000 0.987 185 R CA -0.750 55.207 56.100 -0.238 0.000 0.908 185 R CB 1.491 31.674 30.300 -0.195 0.000 1.213 185 R HN 0.496 nan 8.270 nan 0.000 0.468 186 M N 1.065 120.613 119.600 -0.087 0.000 2.436 186 M HA 0.289 4.769 4.480 -0.000 0.000 0.331 186 M C 0.464 176.738 176.300 -0.042 0.000 1.135 186 M CA -0.744 54.525 55.300 -0.052 0.000 0.987 186 M CB 1.764 34.335 32.600 -0.048 0.000 1.687 186 M HN 0.676 nan 8.290 nan 0.000 0.445 187 S N 1.412 117.103 115.700 -0.014 0.000 2.579 187 S HA 0.361 4.830 4.470 -0.000 0.000 0.275 187 S C 1.235 175.813 174.600 -0.037 0.000 1.345 187 S CA -0.042 58.156 58.200 -0.004 0.000 1.031 187 S CB 0.676 63.912 63.200 0.061 0.000 0.892 187 S HN 0.755 nan 8.310 nan 0.000 0.529 188 A N 2.386 125.184 122.820 -0.037 0.000 2.032 188 A HA -0.097 4.223 4.320 -0.000 0.000 0.221 188 A C 2.421 179.969 177.584 -0.059 0.000 1.165 188 A CA 1.992 53.992 52.037 -0.061 0.000 0.645 188 A CB -1.546 17.434 19.000 -0.033 0.000 0.807 188 A HN 1.376 nan 8.150 nan 0.000 0.453 189 S N -1.930 113.748 115.700 -0.037 0.000 2.453 189 S HA 0.298 4.768 4.470 -0.000 0.000 0.231 189 S C 1.581 176.168 174.600 -0.021 0.000 1.005 189 S CA 1.210 59.392 58.200 -0.030 0.000 0.949 189 S CB -0.545 62.612 63.200 -0.071 0.000 0.774 189 S HN 1.988 nan 8.310 nan 0.000 0.510 190 G N 1.635 110.408 108.800 -0.046 0.000 2.136 190 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.242 190 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.242 190 G C 0.707 175.573 174.900 -0.057 0.000 0.989 190 G CA 0.456 45.547 45.100 -0.014 0.000 0.682 190 G HN 0.645 nan 8.290 nan 0.000 0.522 191 R N -1.173 119.181 120.500 -0.244 0.000 2.123 191 R HA 0.308 4.647 4.340 -0.000 0.000 0.209 191 R C 0.244 176.199 176.300 -0.575 0.000 1.078 191 R CA 0.239 55.967 56.100 -0.619 0.000 1.028 191 R CB 0.217 29.723 30.300 -1.324 0.000 0.939 191 R HN 0.333 nan 8.270 nan 0.000 0.463 192 Y N 0.887 121.062 120.300 -0.209 0.000 2.342 192 Y HA 0.338 4.888 4.550 -0.000 0.000 0.334 192 Y C -0.429 175.416 175.900 -0.091 0.000 1.067 192 Y CA -1.075 56.941 58.100 -0.139 0.000 1.128 192 Y CB 1.642 40.020 38.460 -0.137 0.000 1.200 192 Y HN 0.009 nan 8.280 nan 0.000 0.464 193 L N 4.986 126.268 121.223 0.099 0.000 2.287 193 L HA 0.591 4.931 4.340 -0.000 0.000 0.287 193 L C -1.603 175.282 176.870 0.023 0.000 1.022 193 L CA -0.345 54.515 54.840 0.034 0.000 0.814 193 L CB 0.516 42.589 42.059 0.023 0.000 1.217 193 L HN 0.559 nan 8.230 nan 0.000 0.420 194 L N 6.504 127.712 121.223 -0.025 0.000 2.296 194 L HA 0.719 5.058 4.340 -0.000 0.000 0.286 194 L C -0.528 176.294 176.870 -0.081 0.000 1.023 194 L CA -0.884 53.927 54.840 -0.048 0.000 0.812 194 L CB 1.770 43.788 42.059 -0.069 0.000 1.223 194 L HN 0.566 nan 8.230 nan 0.000 0.421 195 V N 1.981 121.860 119.914 -0.057 0.000 2.823 195 V HA 0.685 4.805 4.120 -0.000 0.000 0.312 195 V C -0.762 175.303 176.094 -0.049 0.000 1.072 195 V CA -0.725 61.535 62.300 -0.066 0.000 0.937 195 V CB 2.294 34.096 31.823 -0.035 0.000 1.013 195 V HN 0.692 nan 8.190 nan 0.000 0.430 196 I N 2.713 123.251 120.570 -0.054 0.000 2.533 196 I HA 0.836 5.006 4.170 -0.000 0.000 0.290 196 I C 0.500 176.606 176.117 -0.017 0.000 1.056 196 I CA -0.323 60.954 61.300 -0.039 0.000 1.057 196 I CB 1.682 39.645 38.000 -0.062 0.000 1.240 196 I HN 1.017 nan 8.210 nan 0.000 0.423 197 G N 5.154 113.950 108.800 -0.007 0.000 2.504 197 G HA2 0.271 4.231 3.960 -0.000 0.000 0.288 197 G HA3 0.271 4.231 3.960 -0.000 0.000 0.288 197 G C 0.621 175.524 174.900 0.005 0.000 1.182 197 G CA -0.727 44.379 45.100 0.010 0.000 0.894 197 G HN 0.866 nan 8.290 nan 0.000 0.521 198 R N -0.709 119.811 120.500 0.033 0.000 2.237 198 R HA -0.038 4.302 4.340 -0.000 0.000 0.219 198 R C 0.721 177.027 176.300 0.011 0.000 1.080 198 R CA 1.492 57.595 56.100 0.005 0.000 0.995 198 R CB -0.102 30.241 30.300 0.072 0.000 0.875 198 R HN 0.460 nan 8.270 nan 0.000 0.462 199 D N 0.448 120.875 120.400 0.044 0.000 2.336 199 D HA 0.131 4.771 4.640 -0.000 0.000 0.229 199 D C 0.826 177.086 176.300 -0.066 0.000 1.061 199 D CA 0.434 54.442 54.000 0.013 0.000 0.875 199 D CB 0.531 41.364 40.800 0.056 0.000 0.904 199 D HN 0.317 nan 8.370 nan 0.000 0.525 200 A N -0.099 122.679 122.820 -0.069 0.000 3.172 200 A HA -0.301 4.019 4.320 -0.000 0.000 0.263 200 A C 0.811 178.353 177.584 -0.071 0.000 1.215 200 A CA 0.861 52.837 52.037 -0.101 0.000 1.065 200 A CB -2.357 16.534 19.000 -0.181 0.000 1.148 200 A HN 0.476 nan 8.150 nan 0.000 0.904 201 R N 0.452 120.932 120.500 -0.033 0.000 2.267 201 R HA 0.578 4.918 4.340 -0.000 0.000 0.319 201 R C -0.348 175.957 176.300 0.010 0.000 1.067 201 R CA -0.297 55.806 56.100 0.005 0.000 0.936 201 R CB 0.092 30.409 30.300 0.028 0.000 1.006 201 R HN 0.524 nan 8.270 nan 0.000 0.452 202 I N 3.745 124.327 120.570 0.020 0.000 2.437 202 I HA 0.256 4.426 4.170 -0.000 0.000 0.298 202 I C -0.244 175.890 176.117 0.030 0.000 0.984 202 I CA -0.580 60.726 61.300 0.010 0.000 1.214 202 I CB 1.849 39.848 38.000 -0.002 0.000 1.365 202 I HN 0.495 nan 8.210 nan 0.000 0.469 203 D N 6.925 127.336 120.400 0.018 0.000 2.649 203 D HA 0.355 4.995 4.640 -0.000 0.000 0.249 203 D C -0.927 175.386 176.300 0.022 0.000 1.112 203 D CA -0.391 53.628 54.000 0.031 0.000 0.850 203 D CB 2.874 43.694 40.800 0.034 0.000 1.399 203 D HN 0.390 nan 8.370 nan 0.000 0.503 204 M N 3.439 123.056 119.600 0.029 0.000 2.180 204 M HA 0.438 4.918 4.480 -0.000 0.000 0.350 204 M C -1.388 174.960 176.300 0.081 0.000 1.125 204 M CA -0.425 54.890 55.300 0.024 0.000 1.031 204 M CB 0.833 33.409 32.600 -0.040 0.000 1.623 204 M HN 0.298 nan 8.290 nan 0.000 0.451 205 I N 3.887 124.531 120.570 0.122 0.000 2.406 205 I HA 0.257 4.427 4.170 -0.000 0.000 0.290 205 I C -0.642 175.583 176.117 0.179 0.000 0.999 205 I CA -0.759 60.621 61.300 0.133 0.000 1.124 205 I CB 1.740 39.787 38.000 0.078 0.000 1.289 205 I HN 0.550 nan 8.210 nan 0.000 0.441 206 D N 6.420 126.911 120.400 0.152 0.000 2.325 206 D HA 0.210 4.850 4.640 -0.000 0.000 0.251 206 D C 0.696 176.977 176.300 -0.032 0.000 1.196 206 D CA 0.073 54.059 54.000 -0.024 0.000 0.866 206 D CB 1.268 42.094 40.800 0.043 0.000 1.101 206 D HN 0.449 nan 8.370 nan 0.000 0.476 207 L N 2.928 124.091 121.223 -0.101 0.000 2.554 207 L HA 0.035 4.374 4.340 -0.000 0.000 0.226 207 L C 1.185 178.193 176.870 0.230 0.000 1.137 207 L CA 0.007 54.880 54.840 0.055 0.000 0.863 207 L CB 0.065 42.158 42.059 0.058 0.000 0.985 207 L HN 0.489 nan 8.230 nan 0.000 0.451 208 W N 0.624 121.851 121.300 -0.120 0.000 2.863 208 W HA 0.261 4.921 4.660 -0.000 0.000 0.258 208 W C 1.436 177.927 176.519 -0.047 0.000 1.298 208 W CA -0.912 56.381 57.345 -0.087 0.000 1.451 208 W CB -0.558 28.831 29.460 -0.118 0.000 1.107 208 W HN -0.074 nan 8.180 nan 0.000 0.641 209 A N 1.200 124.126 122.820 0.178 0.000 2.466 209 A HA 0.027 4.347 4.320 -0.000 0.000 0.238 209 A C 1.669 179.301 177.584 0.081 0.000 1.074 209 A CA 0.074 52.179 52.037 0.112 0.000 0.774 209 A CB 0.424 19.477 19.000 0.089 0.000 1.015 209 A HN 0.175 nan 8.150 nan 0.000 0.498 210 K N 0.113 120.547 120.400 0.057 0.000 2.127 210 K HA -0.192 4.128 4.320 -0.000 0.000 0.212 210 K C 0.533 177.157 176.600 0.041 0.000 1.050 210 K CA 2.028 58.338 56.287 0.038 0.000 0.929 210 K CB 0.056 32.574 32.500 0.031 0.000 0.715 210 K HN 0.813 nan 8.250 nan 0.000 0.457 211 E N 0.405 120.633 120.200 0.047 0.000 2.241 211 E HA 0.201 4.551 4.350 -0.000 0.000 0.263 211 E C -2.715 173.919 176.600 0.057 0.000 0.882 211 E CA -2.613 53.816 56.400 0.048 0.000 0.769 211 E CB 1.911 31.635 29.700 0.041 0.000 1.185 211 E HN -0.173 nan 8.360 nan 0.000 0.415 212 P HA -0.062 nan 4.420 nan 0.000 0.258 212 P C -0.759 176.578 177.300 0.061 0.000 1.172 212 P CA 0.432 63.571 63.100 0.065 0.000 0.762 212 P CB 0.260 31.998 31.700 0.064 0.000 0.764 213 T N 0.225 114.818 114.554 0.066 0.000 2.906 213 T HA 0.457 4.806 4.350 -0.000 0.000 0.295 213 T C -0.341 174.403 174.700 0.074 0.000 1.075 213 T CA -1.270 60.868 62.100 0.064 0.000 1.005 213 T CB 1.513 70.416 68.868 0.058 0.000 1.136 213 T HN 0.084 nan 8.240 nan 0.000 0.498 214 K N 1.358 121.796 120.400 0.065 0.000 2.412 214 K HA 0.336 4.656 4.320 -0.000 0.000 0.281 214 K C 1.204 177.844 176.600 0.066 0.000 1.027 214 K CA -0.243 56.084 56.287 0.066 0.000 0.989 214 K CB 1.018 33.549 32.500 0.052 0.000 0.935 214 K HN 0.560 nan 8.250 nan 0.000 0.475 215 V N -0.773 119.187 119.914 0.078 0.000 3.523 215 V HA 0.400 4.520 4.120 -0.000 0.000 0.255 215 V C 0.330 176.446 176.094 0.038 0.000 1.226 215 V CA 0.247 62.587 62.300 0.067 0.000 1.092 215 V CB 0.230 32.118 31.823 0.109 0.000 0.817 215 V HN 0.657 nan 8.190 nan 0.000 0.458 216 A N 0.758 123.605 122.820 0.044 0.000 2.604 216 A HA 0.815 5.134 4.320 -0.000 0.000 0.295 216 A C -0.919 176.717 177.584 0.086 0.000 1.067 216 A CA -0.073 52.004 52.037 0.066 0.000 0.683 216 A CB 1.722 20.788 19.000 0.109 0.000 1.281 216 A HN 0.701 nan 8.150 nan 0.000 0.407 217 E N 0.472 120.748 120.200 0.127 0.000 2.433 217 E HA 0.861 5.211 4.350 -0.000 0.000 0.278 217 E C -1.422 175.310 176.600 0.219 0.000 0.976 217 E CA -0.728 55.751 56.400 0.132 0.000 0.793 217 E CB 2.017 31.770 29.700 0.088 0.000 1.311 217 E HN 1.115 nan 8.360 nan 0.000 0.460 218 I N -0.030 120.647 120.570 0.179 0.000 2.836 218 I HA 0.320 4.490 4.170 -0.000 0.000 0.298 218 I C -2.174 174.040 176.117 0.161 0.000 1.600 218 I CA -0.673 60.758 61.300 0.219 0.000 0.972 218 I CB 2.129 40.258 38.000 0.215 0.000 1.385 218 I HN 0.674 nan 8.210 nan 0.000 0.520 219 K N 5.822 126.355 120.400 0.221 0.000 2.483 219 K HA 0.447 4.767 4.320 -0.000 0.000 0.256 219 K C 0.076 176.811 176.600 0.225 0.000 0.961 219 K CA -0.555 55.817 56.287 0.142 0.000 0.873 219 K CB 1.130 33.707 32.500 0.128 0.000 1.107 219 K HN 0.593 nan 8.250 nan 0.000 0.432 220 I N 0.354 120.956 120.570 0.054 0.000 3.812 220 I HA 0.399 4.569 4.170 -0.000 0.000 0.320 220 I C 0.400 176.468 176.117 -0.083 0.000 1.276 220 I CA -0.102 61.257 61.300 0.098 0.000 1.164 220 I CB 0.636 38.665 38.000 0.048 0.000 1.009 220 I HN 0.611 nan 8.210 nan 0.000 0.431 221 G N 0.024 108.479 108.800 -0.575 0.000 2.325 221 G HA2 0.273 4.232 3.960 -0.000 0.000 0.295 221 G HA3 0.273 4.232 3.960 -0.000 0.000 0.295 221 G C -0.366 174.078 174.900 -0.760 0.000 1.274 221 G CA -0.310 44.393 45.100 -0.661 0.000 0.857 221 G HN -0.117 nan 8.290 nan 0.000 0.499 222 I N 0.082 120.452 120.570 -0.333 0.000 2.731 222 I HA 0.290 4.460 4.170 -0.000 0.000 0.260 222 I C 0.942 177.029 176.117 -0.051 0.000 1.138 222 I CA 0.823 62.021 61.300 -0.170 0.000 1.461 222 I CB -0.275 37.818 38.000 0.155 0.000 1.128 222 I HN 0.656 nan 8.210 nan 0.000 0.438 223 E N 0.216 120.440 120.200 0.041 0.000 2.308 223 E HA 0.681 5.031 4.350 -0.000 0.000 0.275 223 E C -1.424 175.191 176.600 0.023 0.000 0.890 223 E CA -0.541 55.898 56.400 0.066 0.000 0.754 223 E CB 2.547 32.368 29.700 0.203 0.000 1.207 223 E HN 0.105 nan 8.360 nan 0.000 0.426 224 A N 3.147 125.900 122.820 -0.111 0.000 2.588 224 A HA 0.703 5.023 4.320 -0.000 0.000 0.290 224 A C -0.543 176.819 177.584 -0.371 0.000 1.136 224 A CA -0.592 51.328 52.037 -0.194 0.000 0.681 224 A CB 1.618 20.554 19.000 -0.107 0.000 1.282 224 A HN 0.582 nan 8.150 nan 0.000 0.421 225 R N -0.562 119.712 120.500 -0.376 0.000 2.716 225 R HA 0.281 4.621 4.340 -0.000 0.000 0.186 225 R C 0.617 176.799 176.300 -0.197 0.000 0.830 225 R CA 0.752 56.606 56.100 -0.410 0.000 1.059 225 R CB -0.017 29.894 30.300 -0.650 0.000 1.531 225 R HN 0.636 nan 8.270 nan 0.000 0.633 226 S N 0.584 116.188 115.700 -0.161 0.000 2.651 226 S HA 0.665 5.135 4.470 -0.000 0.000 0.291 226 S C -0.925 173.589 174.600 -0.143 0.000 1.141 226 S CA -0.468 57.652 58.200 -0.134 0.000 1.027 226 S CB 1.464 64.583 63.200 -0.135 0.000 1.043 226 S HN -0.011 nan 8.310 nan 0.000 0.530 227 V N 2.189 122.004 119.914 -0.164 0.000 3.120 227 V HA 0.857 4.977 4.120 -0.000 0.000 0.303 227 V C -1.570 174.396 176.094 -0.213 0.000 1.238 227 V CA -0.380 61.809 62.300 -0.184 0.000 1.008 227 V CB 2.294 34.029 31.823 -0.148 0.000 1.064 227 V HN 1.019 nan 8.190 nan 0.000 0.434 228 E N 2.501 122.547 120.200 -0.257 0.000 2.437 228 E HA 0.728 5.078 4.350 -0.000 0.000 0.280 228 E C -1.753 174.745 176.600 -0.169 0.000 1.044 228 E CA -0.232 56.034 56.400 -0.223 0.000 0.826 228 E CB 2.375 31.900 29.700 -0.292 0.000 1.358 228 E HN 0.805 nan 8.360 nan 0.000 0.459 229 S N 0.334 116.039 115.700 0.008 0.000 2.566 229 S HA 0.629 5.099 4.470 -0.000 0.000 0.298 229 S C -1.054 173.737 174.600 0.318 0.000 1.083 229 S CA -0.267 58.003 58.200 0.116 0.000 0.978 229 S CB 0.737 63.953 63.200 0.027 0.000 1.073 229 S HN 0.651 nan 8.310 nan 0.000 0.491 230 S N 2.885 118.736 115.700 0.252 0.000 2.516 230 S HA 0.336 4.805 4.470 -0.000 0.000 0.282 230 S C 0.150 174.773 174.600 0.039 0.000 1.286 230 S CA -0.331 57.863 58.200 -0.009 0.000 1.066 230 S CB 0.510 63.483 63.200 -0.377 0.000 0.884 230 S HN 0.762 nan 8.310 nan 0.000 0.491 231 K N 0.990 121.405 120.400 0.026 0.000 2.447 231 K HA 0.205 4.525 4.320 -0.000 0.000 0.205 231 K C -0.487 176.075 176.600 -0.063 0.000 1.059 231 K CA -0.317 55.931 56.287 -0.066 0.000 1.065 231 K CB 0.340 32.710 32.500 -0.218 0.000 0.885 231 K HN 0.632 nan 8.250 nan 0.000 0.545 232 F N 3.422 123.336 119.950 -0.061 0.000 2.443 232 F HA 0.107 4.633 4.527 -0.001 0.000 0.353 232 F C 0.487 176.383 175.800 0.159 0.000 1.101 232 F CA -0.690 57.307 58.000 -0.005 0.000 1.226 232 F CB 0.556 39.522 39.000 -0.056 0.000 1.140 232 F HN -0.259 nan 8.300 nan 0.000 0.557 233 K N 4.412 124.361 120.400 -0.752 0.000 2.477 233 K HA 0.088 4.407 4.320 -0.000 0.000 0.275 233 K C 0.883 177.340 176.600 -0.239 0.000 1.054 233 K CA 1.138 57.131 56.287 -0.489 0.000 1.135 233 K CB -0.564 31.572 32.500 -0.607 0.000 0.854 233 K HN 1.062 nan 8.250 nan 0.000 0.484 234 G N 3.074 111.804 108.800 -0.117 0.000 2.132 234 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.234 234 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.234 234 G C -0.052 174.645 174.900 -0.338 0.000 0.989 234 G CA -0.094 44.894 45.100 -0.187 0.000 0.676 234 G HN 0.643 nan 8.290 nan 0.000 0.522 235 Y N 0.357 120.653 120.300 -0.006 0.000 2.768 235 Y HA 0.320 4.870 4.550 -0.001 0.000 0.249 235 Y C 0.902 176.759 175.900 -0.071 0.000 1.146 235 Y CA -0.838 57.262 58.100 0.000 0.000 1.171 235 Y CB 0.532 39.078 38.460 0.143 0.000 1.249 235 Y HN 0.327 nan 8.280 nan 0.000 0.567 236 E N 1.988 122.202 120.200 0.023 0.000 2.585 236 E HA -0.082 4.268 4.350 -0.000 0.000 0.252 236 E C -0.310 176.262 176.600 -0.046 0.000 0.981 236 E CA 0.795 57.189 56.400 -0.011 0.000 0.943 236 E CB 0.156 29.841 29.700 -0.024 0.000 0.923 236 E HN 0.337 nan 8.360 nan 0.000 0.486 237 D N 2.071 122.441 120.400 -0.049 0.000 3.059 237 D HA -0.228 4.412 4.640 -0.000 0.000 0.220 237 D C 0.893 177.092 176.300 -0.168 0.000 1.169 237 D CA 0.609 54.556 54.000 -0.089 0.000 0.902 237 D CB -0.478 40.280 40.800 -0.070 0.000 1.116 237 D HN 0.439 nan 8.370 nan 0.000 0.417 238 R N -0.835 119.541 120.500 -0.206 0.000 2.055 238 R HA 0.028 4.367 4.340 -0.000 0.000 0.228 238 R C 0.688 176.573 176.300 -0.692 0.000 1.143 238 R CA 1.369 57.194 56.100 -0.459 0.000 0.945 238 R CB -0.084 29.965 30.300 -0.418 0.000 0.841 238 R HN 0.326 nan 8.270 nan 0.000 0.429 239 Y N -1.301 118.919 120.300 -0.134 0.000 2.602 239 Y HA 0.383 4.933 4.550 -0.001 0.000 0.342 239 Y C -0.212 175.693 175.900 0.009 0.000 1.029 239 Y CA -0.775 57.272 58.100 -0.088 0.000 1.080 239 Y CB 2.056 40.426 38.460 -0.150 0.000 1.284 239 Y HN -0.249 nan 8.280 nan 0.000 0.485 240 T N 3.028 117.680 114.554 0.164 0.000 2.937 240 T HA 0.493 4.842 4.350 -0.000 0.000 0.297 240 T C -1.157 173.479 174.700 -0.107 0.000 0.991 240 T CA -0.456 61.645 62.100 0.002 0.000 0.990 240 T CB 0.811 69.647 68.868 -0.054 0.000 0.991 240 T HN 0.551 nan 8.240 nan 0.000 0.440 241 I N 2.578 122.911 120.570 -0.395 0.000 2.707 241 I HA 0.861 5.031 4.170 -0.000 0.000 0.309 241 I C -0.996 174.928 176.117 -0.322 0.000 1.001 241 I CA -0.818 60.211 61.300 -0.452 0.000 1.129 241 I CB 1.268 38.657 38.000 -1.019 0.000 1.308 241 I HN 0.738 nan 8.210 nan 0.000 0.466 242 A N 4.439 127.152 122.820 -0.178 0.000 2.465 242 A HA 0.673 4.993 4.320 -0.000 0.000 0.292 242 A C -0.652 176.913 177.584 -0.031 0.000 1.041 242 A CA -0.317 51.648 52.037 -0.121 0.000 0.718 242 A CB 1.134 20.085 19.000 -0.082 0.000 1.266 242 A HN 0.853 nan 8.150 nan 0.000 0.403 243 G N 0.509 109.282 108.800 -0.046 0.000 2.400 243 G HA2 0.737 4.697 3.960 -0.000 0.000 0.301 243 G HA3 0.737 4.697 3.960 -0.000 0.000 0.301 243 G C -0.074 174.851 174.900 0.043 0.000 1.154 243 G CA 0.242 45.365 45.100 0.038 0.000 0.852 243 G HN 1.702 nan 8.290 nan 0.000 0.511 244 A N 1.036 123.914 122.820 0.097 0.000 2.380 244 A HA 0.687 5.007 4.320 -0.000 0.000 0.315 244 A C -0.041 177.705 177.584 0.270 0.000 1.101 244 A CA -0.659 51.443 52.037 0.108 0.000 0.771 244 A CB 1.229 20.248 19.000 0.032 0.000 1.287 244 A HN 0.627 nan 8.150 nan 0.000 0.436 245 Y N 0.034 120.369 120.300 0.058 0.000 2.177 245 Y HA 0.118 4.667 4.550 -0.001 0.000 0.291 245 Y C 0.781 176.829 175.900 0.248 0.000 1.117 245 Y CA 0.464 58.645 58.100 0.136 0.000 1.114 245 Y CB 0.101 38.646 38.460 0.142 0.000 1.017 245 Y HN 0.681 nan 8.280 nan 0.000 0.505 246 W N 2.221 123.647 121.300 0.210 0.000 2.683 246 W HA 0.336 4.996 4.660 0.000 0.000 0.329 246 W C -3.066 173.496 176.519 0.072 0.000 1.037 246 W CA -2.287 55.136 57.345 0.130 0.000 1.232 246 W CB 2.015 31.557 29.460 0.137 0.000 1.390 246 W HN -0.096 nan 8.180 nan 0.000 0.465 247 P HA 0.205 nan 4.420 nan 0.000 0.276 247 P C -2.537 174.505 177.300 -0.430 0.000 1.244 247 P CA -1.249 61.187 63.100 -1.105 0.000 0.801 247 P CB 0.444 31.662 31.700 -0.803 0.000 1.006 248 P HA 0.044 nan 4.420 nan 0.000 0.264 248 P C -0.721 176.519 177.300 -0.101 0.000 1.537 248 P CA 0.586 63.622 63.100 -0.107 0.000 1.189 248 P CB -0.469 31.198 31.700 -0.055 0.000 1.687 249 Q N 2.429 122.197 119.800 -0.054 0.000 2.687 249 Q HA 0.629 4.969 4.340 -0.000 0.000 0.295 249 Q C -1.535 174.486 176.000 0.036 0.000 0.920 249 Q CA -1.030 54.723 55.803 -0.082 0.000 0.766 249 Q CB 1.206 29.847 28.738 -0.162 0.000 1.467 249 Q HN 0.183 nan 8.270 nan 0.000 0.415 250 F N -1.211 118.709 119.950 -0.049 0.000 2.588 250 F HA 0.975 5.501 4.527 -0.001 0.000 0.314 250 F C -1.488 174.276 175.800 -0.059 0.000 1.069 250 F CA -0.924 57.039 58.000 -0.062 0.000 0.931 250 F CB 1.940 40.894 39.000 -0.078 0.000 1.260 250 F HN 0.800 nan 8.300 nan 0.000 0.465 251 A N 3.357 126.271 122.820 0.157 0.000 2.356 251 A HA 0.791 5.111 4.320 -0.000 0.000 0.310 251 A C -1.157 176.478 177.584 0.086 0.000 1.075 251 A CA -0.760 51.309 52.037 0.053 0.000 0.746 251 A CB 0.857 19.862 19.000 0.009 0.000 1.221 251 A HN 0.805 nan 8.150 nan 0.000 0.443 252 I N 2.434 123.051 120.570 0.078 0.000 2.353 252 I HA 0.458 4.628 4.170 -0.000 0.000 0.293 252 I C -0.036 176.096 176.117 0.024 0.000 0.992 252 I CA 0.064 61.407 61.300 0.072 0.000 1.268 252 I CB 1.501 39.556 38.000 0.091 0.000 1.387 252 I HN 0.668 nan 8.210 nan 0.000 0.478 253 M N 3.695 123.319 119.600 0.040 0.000 2.658 253 M HA 0.328 4.808 4.480 -0.000 0.000 0.295 253 M C -0.837 175.498 176.300 0.059 0.000 1.248 253 M CA -0.866 54.425 55.300 -0.014 0.000 0.843 253 M CB 1.863 34.409 32.600 -0.089 0.000 1.749 253 M HN 0.354 nan 8.290 nan 0.000 0.464 254 D N 0.643 121.022 120.400 -0.035 0.000 2.417 254 D HA 0.163 4.803 4.640 -0.000 0.000 0.250 254 D C 0.963 177.205 176.300 -0.098 0.000 1.166 254 D CA 0.565 54.532 54.000 -0.055 0.000 0.881 254 D CB 1.138 41.881 40.800 -0.095 0.000 1.164 254 D HN 0.714 nan 8.370 nan 0.000 0.467 255 G N 3.189 111.900 108.800 -0.148 0.000 2.956 255 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.207 255 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.207 255 G C 0.985 175.748 174.900 -0.228 0.000 1.162 255 G CA 0.056 45.057 45.100 -0.165 0.000 0.796 255 G HN 0.452 nan 8.290 nan 0.000 0.527 256 E N -0.671 119.408 120.200 -0.202 0.000 2.367 256 E HA -0.006 4.343 4.350 -0.000 0.000 0.204 256 E C 2.354 178.854 176.600 -0.166 0.000 0.840 256 E CA 1.333 57.595 56.400 -0.230 0.000 1.051 256 E CB 0.439 30.057 29.700 -0.137 0.000 1.051 256 E HN 0.453 nan 8.360 nan 0.000 0.509 257 T N -2.177 112.349 114.554 -0.046 0.000 3.003 257 T HA 0.262 4.612 4.350 -0.000 0.000 0.261 257 T C 1.071 175.908 174.700 0.227 0.000 1.003 257 T CA -0.185 61.988 62.100 0.122 0.000 0.917 257 T CB 0.501 69.525 68.868 0.260 0.000 1.084 257 T HN 0.111 nan 8.240 nan 0.000 0.522 258 L N 0.599 121.828 121.223 0.011 0.000 4.291 258 L HA -0.150 4.189 4.340 -0.000 0.000 0.413 258 L C 0.268 176.890 176.870 -0.414 0.000 1.162 258 L CA 0.498 55.294 54.840 -0.073 0.000 0.961 258 L CB -1.677 40.417 42.059 0.059 0.000 2.095 258 L HN 0.617 nan 8.230 nan 0.000 0.838 259 E N 3.217 123.050 120.200 -0.611 0.000 2.324 259 E HA 0.165 4.515 4.350 -0.000 0.000 0.271 259 E C -1.966 174.236 176.600 -0.663 0.000 1.028 259 E CA -1.563 54.084 56.400 -1.255 0.000 0.890 259 E CB 0.845 29.940 29.700 -1.008 0.000 1.004 259 E HN 0.038 nan 8.360 nan 0.000 0.431 260 P HA -0.016 nan 4.420 nan 0.000 0.267 260 P C -0.536 176.636 177.300 -0.214 0.000 1.209 260 P CA 0.036 62.958 63.100 -0.297 0.000 0.763 260 P CB 1.050 32.616 31.700 -0.223 0.000 0.816 261 K N 1.532 121.857 120.400 -0.124 0.000 2.309 261 K HA 0.178 4.498 4.320 -0.000 0.000 0.210 261 K C 0.670 177.229 176.600 -0.069 0.000 1.114 261 K CA 0.828 57.069 56.287 -0.077 0.000 0.912 261 K CB 0.174 32.663 32.500 -0.019 0.000 1.198 261 K HN 0.450 nan 8.250 nan 0.000 0.471 262 Q N 0.428 120.190 119.800 -0.063 0.000 2.375 262 Q HA 0.525 4.864 4.340 -0.000 0.000 0.271 262 Q C -0.790 175.147 176.000 -0.106 0.000 1.074 262 Q CA -0.381 55.376 55.803 -0.076 0.000 0.808 262 Q CB 2.701 31.405 28.738 -0.057 0.000 1.327 262 Q HN 0.139 nan 8.270 nan 0.000 0.441 263 I N 1.311 121.788 120.570 -0.156 0.000 2.447 263 I HA 0.478 4.648 4.170 -0.000 0.000 0.287 263 I C -0.619 175.299 176.117 -0.333 0.000 1.023 263 I CA -1.003 60.166 61.300 -0.219 0.000 1.083 263 I CB 2.135 40.049 38.000 -0.144 0.000 1.245 263 I HN 0.103 nan 8.210 nan 0.000 0.434 264 V N 4.282 123.826 119.914 -0.617 0.000 2.487 264 V HA 0.328 4.448 4.120 -0.000 0.000 0.298 264 V C 0.142 175.906 176.094 -0.549 0.000 1.028 264 V CA -0.593 61.298 62.300 -0.682 0.000 0.860 264 V CB 1.999 33.147 31.823 -1.125 0.000 0.991 264 V HN 0.807 nan 8.190 nan 0.000 0.427 265 S N 2.705 118.233 115.700 -0.286 0.000 2.548 265 S HA 0.216 4.685 4.470 -0.000 0.000 0.277 265 S C 1.096 175.642 174.600 -0.091 0.000 1.315 265 S CA 0.220 58.320 58.200 -0.166 0.000 1.050 265 S CB 0.977 64.118 63.200 -0.098 0.000 0.918 265 S HN 1.016 nan 8.310 nan 0.000 0.497 266 T N 2.224 116.756 114.554 -0.036 0.000 3.105 266 T HA 0.328 4.677 4.350 -0.000 0.000 0.253 266 T C 0.534 175.251 174.700 0.028 0.000 1.047 266 T CA -0.378 61.742 62.100 0.034 0.000 0.944 266 T CB -0.141 68.775 68.868 0.079 0.000 1.016 266 T HN 0.542 nan 8.240 nan 0.000 0.544 267 R N 0.967 121.488 120.500 0.034 0.000 2.623 267 R HA 0.561 4.900 4.340 -0.000 0.000 0.271 267 R C 0.875 177.260 176.300 0.142 0.000 1.043 267 R CA 1.097 57.245 56.100 0.079 0.000 1.083 267 R CB 0.413 30.806 30.300 0.155 0.000 0.974 267 R HN 0.573 nan 8.270 nan 0.000 0.436 268 G N 1.219 110.094 108.800 0.125 0.000 2.336 268 G HA2 0.162 4.122 3.960 -0.000 0.000 0.286 268 G HA3 0.162 4.122 3.960 -0.000 0.000 0.286 268 G C -1.529 173.466 174.900 0.158 0.000 1.269 268 G CA -0.965 44.259 45.100 0.207 0.000 0.873 268 G HN 0.247 nan 8.290 nan 0.000 0.494 269 M N 1.932 121.616 119.600 0.140 0.000 2.249 269 M HA 0.393 4.872 4.480 -0.000 0.000 0.351 269 M C 1.007 177.321 176.300 0.023 0.000 1.180 269 M CA -0.593 54.767 55.300 0.100 0.000 1.127 269 M CB 0.444 33.098 32.600 0.089 0.000 1.546 269 M HN 0.812 nan 8.290 nan 0.000 0.461 270 T N -1.190 113.367 114.554 0.007 0.000 2.899 270 T HA 0.278 4.628 4.350 -0.000 0.000 0.295 270 T C 1.100 175.778 174.700 -0.037 0.000 1.033 270 T CA -0.797 61.275 62.100 -0.047 0.000 1.084 270 T CB 1.354 70.194 68.868 -0.048 0.000 0.979 270 T HN 0.495 nan 8.240 nan 0.000 0.532 271 V N 1.519 121.395 119.914 -0.063 0.000 2.591 271 V HA -0.067 4.053 4.120 -0.000 0.000 0.249 271 V C 2.077 178.152 176.094 -0.032 0.000 1.053 271 V CA 2.334 64.607 62.300 -0.045 0.000 1.068 271 V CB -0.776 31.013 31.823 -0.056 0.000 0.689 271 V HN 1.053 nan 8.190 nan 0.000 0.462 272 D N -0.044 120.333 120.400 -0.038 0.000 2.113 272 D HA -0.150 4.490 4.640 -0.000 0.000 0.206 272 D C 2.045 178.343 176.300 -0.003 0.000 0.979 272 D CA 2.250 56.239 54.000 -0.018 0.000 0.862 272 D CB -1.288 39.502 40.800 -0.017 0.000 1.013 272 D HN 0.524 nan 8.370 nan 0.000 0.455 273 T N -3.324 111.230 114.554 0.001 0.000 3.067 273 T HA -0.009 4.341 4.350 -0.000 0.000 0.261 273 T C 0.866 175.578 174.700 0.019 0.000 1.110 273 T CA 0.528 62.636 62.100 0.014 0.000 1.113 273 T CB -0.525 68.357 68.868 0.023 0.000 0.917 273 T HN 0.334 nan 8.240 nan 0.000 0.499 274 Q N 1.679 121.488 119.800 0.015 0.000 2.468 274 Q HA -0.147 4.193 4.340 -0.000 0.000 0.289 274 Q C -0.336 175.693 176.000 0.047 0.000 1.299 274 Q CA 0.762 56.580 55.803 0.025 0.000 0.838 274 Q CB -2.232 26.518 28.738 0.020 0.000 1.195 274 Q HN 0.909 nan 8.270 nan 0.000 0.456 275 T N -3.752 110.837 114.554 0.058 0.000 2.942 275 T HA 0.531 4.881 4.350 -0.000 0.000 0.289 275 T C -0.601 174.181 174.700 0.136 0.000 1.044 275 T CA -0.897 61.257 62.100 0.091 0.000 1.023 275 T CB 1.404 70.315 68.868 0.072 0.000 1.123 275 T HN 0.233 nan 8.240 nan 0.000 0.512 276 Y N 1.944 122.263 120.300 0.032 0.000 2.442 276 Y HA 0.324 4.874 4.550 -0.001 0.000 0.330 276 Y C 0.212 176.146 175.900 0.058 0.000 1.129 276 Y CA -0.318 57.807 58.100 0.041 0.000 1.365 276 Y CB 0.210 38.683 38.460 0.021 0.000 1.233 276 Y HN 0.798 nan 8.280 nan 0.000 0.529 277 H N 8.861 127.510 119.070 -0.702 0.000 2.646 277 H HA 0.283 4.839 4.556 -0.001 0.000 0.328 277 H C -2.254 172.565 175.328 -0.848 0.000 0.998 277 H CA -2.399 53.307 56.048 -0.569 0.000 1.225 277 H CB 2.289 31.877 29.762 -0.289 0.000 1.457 277 H HN 0.518 nan 8.280 nan 0.000 0.505 278 P HA 0.027 nan 4.420 nan 0.000 0.249 278 P C 0.019 177.335 177.300 0.026 0.000 1.241 278 P CA 0.575 63.480 63.100 -0.325 0.000 0.781 278 P CB 0.446 32.081 31.700 -0.107 0.000 1.088 279 E N 0.427 120.741 120.200 0.190 0.000 3.554 279 E HA 0.237 4.587 4.350 -0.000 0.000 0.286 279 E C -2.783 173.976 176.600 0.264 0.000 1.173 279 E CA -1.502 55.087 56.400 0.315 0.000 1.117 279 E CB 0.876 30.782 29.700 0.342 0.000 1.323 279 E HN 0.025 nan 8.360 nan 0.000 0.394 280 P HA 0.208 nan 4.420 nan 0.000 0.251 280 P C -0.858 176.409 177.300 -0.055 0.000 1.718 280 P CA -0.325 62.715 63.100 -0.101 0.000 1.119 280 P CB 0.052 31.689 31.700 -0.105 0.000 1.762 281 R N 1.320 121.764 120.500 -0.094 0.000 2.640 281 R HA 0.208 4.547 4.340 -0.000 0.000 0.270 281 R C 0.048 176.332 176.300 -0.027 0.000 1.024 281 R CA -0.340 55.690 56.100 -0.117 0.000 1.085 281 R CB 0.202 30.184 30.300 -0.529 0.000 0.963 281 R HN 0.172 nan 8.270 nan 0.000 0.426 282 V N 2.875 122.857 119.914 0.112 0.000 2.498 282 V HA 0.326 4.446 4.120 -0.000 0.000 0.279 282 V C 0.680 176.889 176.094 0.191 0.000 1.048 282 V CA 0.114 62.486 62.300 0.119 0.000 0.967 282 V CB 0.970 32.867 31.823 0.123 0.000 0.988 282 V HN 1.011 nan 8.190 nan 0.000 0.473 283 A N 4.658 127.532 122.820 0.089 0.000 3.658 283 A HA 0.907 5.227 4.320 -0.000 0.000 0.188 283 A C 0.912 178.465 177.584 -0.051 0.000 1.601 283 A CA 0.184 52.248 52.037 0.045 0.000 1.765 283 A CB -0.461 18.534 19.000 -0.007 0.000 1.546 283 A HN 1.104 nan 8.150 nan 0.000 0.555 284 A N -0.642 122.131 122.820 -0.079 0.000 2.466 284 A HA 0.505 4.824 4.320 -0.000 0.000 0.238 284 A C -0.306 177.211 177.584 -0.113 0.000 1.074 284 A CA 0.520 52.518 52.037 -0.065 0.000 0.774 284 A CB -0.496 18.529 19.000 0.042 0.000 1.015 284 A HN 0.551 nan 8.150 nan 0.000 0.498 285 I N 1.713 122.171 120.570 -0.187 0.000 2.571 285 I HA 0.429 4.598 4.170 -0.000 0.000 0.289 285 I C -0.818 175.106 176.117 -0.322 0.000 1.115 285 I CA -0.122 61.006 61.300 -0.287 0.000 1.045 285 I CB 1.806 39.621 38.000 -0.309 0.000 1.238 285 I HN 0.657 nan 8.210 nan 0.000 0.424 286 I N 4.872 125.174 120.570 -0.447 0.000 2.582 286 I HA 0.662 4.832 4.170 -0.000 0.000 0.292 286 I C -0.287 175.726 176.117 -0.175 0.000 1.066 286 I CA -0.506 60.528 61.300 -0.443 0.000 1.053 286 I CB 1.852 39.256 38.000 -0.993 0.000 1.241 286 I HN 0.692 nan 8.210 nan 0.000 0.421 287 A N 5.378 128.252 122.820 0.090 0.000 2.354 287 A HA 0.432 4.752 4.320 -0.000 0.000 0.281 287 A C 0.099 177.864 177.584 0.301 0.000 1.174 287 A CA -0.082 52.111 52.037 0.260 0.000 0.828 287 A CB 0.600 19.764 19.000 0.274 0.000 1.099 287 A HN 0.725 nan 8.150 nan 0.000 0.516 288 S N 0.951 116.777 115.700 0.211 0.000 2.572 288 S HA 0.185 4.654 4.470 -0.000 0.000 0.279 288 S C 0.615 175.268 174.600 0.088 0.000 1.341 288 S CA 0.014 58.362 58.200 0.248 0.000 1.043 288 S CB 0.081 63.312 63.200 0.051 0.000 0.887 288 S HN 0.743 nan 8.310 nan 0.000 0.516 289 H N 1.302 120.407 119.070 0.059 0.000 2.827 289 H HA 0.338 4.894 4.556 -0.000 0.000 0.269 289 H C 1.343 176.758 175.328 0.145 0.000 1.031 289 H CA -0.132 55.978 56.048 0.103 0.000 1.202 289 H CB 0.510 30.214 29.762 -0.096 0.000 1.511 289 H HN 0.527 nan 8.280 nan 0.000 0.517 290 E N 0.023 120.227 120.200 0.007 0.000 2.216 290 E HA 0.082 4.431 4.350 -0.000 0.000 0.192 290 E C 0.015 176.156 176.600 -0.765 0.000 0.973 290 E CA 0.708 56.937 56.400 -0.285 0.000 0.851 290 E CB 0.635 30.088 29.700 -0.413 0.000 0.804 290 E HN 0.492 nan 8.360 nan 0.000 0.477 291 H N -1.007 117.751 119.070 -0.519 0.000 3.008 291 H HA 0.235 4.791 4.556 -0.001 0.000 0.354 291 H C -2.407 172.139 175.328 -1.303 0.000 1.252 291 H CA -2.034 53.409 56.048 -1.008 0.000 1.117 291 H CB 1.829 31.252 29.762 -0.564 0.000 1.857 291 H HN -0.199 nan 8.280 nan 0.000 0.547 292 P HA 0.164 nan 4.420 nan 0.000 0.230 292 P C -0.652 175.625 177.300 -1.706 0.000 1.791 292 P CA 0.225 62.500 63.100 -1.375 0.000 1.020 292 P CB -0.097 30.864 31.700 -1.232 0.000 1.977 293 E N 0.474 120.023 120.200 -1.085 0.000 2.416 293 E HA 0.574 4.923 4.350 -0.000 0.000 0.273 293 E C -1.012 175.346 176.600 -0.403 0.000 0.935 293 E CA -0.757 55.175 56.400 -0.779 0.000 0.784 293 E CB 1.341 30.785 29.700 -0.428 0.000 1.301 293 E HN -0.003 nan 8.360 nan 0.000 0.454 294 F N 1.035 120.914 119.950 -0.119 0.000 2.480 294 F HA 0.475 5.002 4.527 -0.000 0.000 0.329 294 F C -0.030 175.632 175.800 -0.229 0.000 1.091 294 F CA -0.868 57.065 58.000 -0.112 0.000 0.972 294 F CB 1.060 39.989 39.000 -0.118 0.000 1.150 294 F HN 0.228 nan 8.300 nan 0.000 0.467 295 I N 4.214 124.735 120.570 -0.081 0.000 2.330 295 I HA 0.311 4.481 4.170 -0.000 0.000 0.286 295 I C -0.938 174.990 176.117 -0.315 0.000 1.025 295 I CA -0.661 60.488 61.300 -0.251 0.000 1.197 295 I CB 0.976 38.719 38.000 -0.428 0.000 1.358 295 I HN 0.126 nan 8.210 nan 0.000 0.467 296 V N 5.947 125.701 119.914 -0.267 0.000 2.427 296 V HA 0.315 4.435 4.120 -0.000 0.000 0.286 296 V C 0.086 176.094 176.094 -0.143 0.000 1.034 296 V CA -0.746 61.390 62.300 -0.273 0.000 0.893 296 V CB 1.539 33.093 31.823 -0.449 0.000 0.982 296 V HN 0.585 nan 8.190 nan 0.000 0.452 297 N N 3.002 121.652 118.700 -0.084 0.000 2.422 297 N HA 0.439 5.179 4.740 -0.000 0.000 0.266 297 N C -0.738 174.760 175.510 -0.021 0.000 1.007 297 N CA -0.217 52.826 53.050 -0.011 0.000 0.941 297 N CB 1.878 40.393 38.487 0.046 0.000 1.115 297 N HN 0.432 nan 8.380 nan 0.000 0.492 298 V N 3.634 123.531 119.914 -0.028 0.000 2.293 298 V HA 0.176 4.295 4.120 -0.000 0.000 0.275 298 V C 1.536 177.578 176.094 -0.086 0.000 1.021 298 V CA -0.736 61.540 62.300 -0.040 0.000 0.815 298 V CB 1.142 32.947 31.823 -0.030 0.000 1.025 298 V HN 0.667 nan 8.190 nan 0.000 0.448 299 K N 3.645 123.994 120.400 -0.085 0.000 1.974 299 K HA -0.254 4.066 4.320 -0.000 0.000 0.231 299 K C 1.705 178.109 176.600 -0.326 0.000 1.035 299 K CA 2.591 58.805 56.287 -0.122 0.000 1.044 299 K CB 0.033 32.498 32.500 -0.058 0.000 0.738 299 K HN 0.695 nan 8.250 nan 0.000 0.447 300 E N -0.449 119.482 120.200 -0.448 0.000 2.219 300 E HA -0.170 4.180 4.350 -0.000 0.000 0.198 300 E C 1.764 177.970 176.600 -0.657 0.000 0.998 300 E CA 2.005 57.949 56.400 -0.759 0.000 0.818 300 E CB -0.158 28.926 29.700 -1.026 0.000 0.741 300 E HN 0.683 nan 8.360 nan 0.000 0.477 301 T N -3.936 110.365 114.554 -0.422 0.000 3.060 301 T HA 0.250 4.599 4.350 -0.000 0.000 0.249 301 T C 1.463 176.041 174.700 -0.204 0.000 1.079 301 T CA 0.145 62.084 62.100 -0.267 0.000 1.013 301 T CB 0.269 69.041 68.868 -0.160 0.000 0.975 301 T HN 0.220 nan 8.240 nan 0.000 0.518 302 G N 1.552 110.219 108.800 -0.223 0.000 2.338 302 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.296 302 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.296 302 G C -0.301 174.544 174.900 -0.092 0.000 1.040 302 G CA -0.035 44.974 45.100 -0.152 0.000 1.004 302 G HN 0.609 nan 8.290 nan 0.000 0.509 303 K N -0.903 119.452 120.400 -0.076 0.000 2.259 303 K HA 0.732 5.051 4.320 -0.000 0.000 0.252 303 K C -0.094 176.485 176.600 -0.034 0.000 0.936 303 K CA -0.891 55.368 56.287 -0.047 0.000 0.810 303 K CB 2.246 34.724 32.500 -0.036 0.000 1.143 303 K HN 0.131 nan 8.250 nan 0.000 0.427 304 V N 4.872 124.770 119.914 -0.025 0.000 2.334 304 V HA 0.396 4.516 4.120 -0.000 0.000 0.281 304 V C -0.440 175.630 176.094 -0.040 0.000 1.016 304 V CA -0.855 61.434 62.300 -0.018 0.000 0.832 304 V CB 0.789 32.621 31.823 0.016 0.000 0.999 304 V HN 0.519 nan 8.190 nan 0.000 0.439 305 L N 5.983 127.166 121.223 -0.067 0.000 2.292 305 L HA 0.522 4.862 4.340 -0.000 0.000 0.284 305 L C -0.329 176.474 176.870 -0.113 0.000 1.065 305 L CA -0.407 54.386 54.840 -0.078 0.000 0.806 305 L CB 1.143 43.156 42.059 -0.077 0.000 1.175 305 L HN 0.427 nan 8.230 nan 0.000 0.431 306 L N 4.899 126.065 121.223 -0.096 0.000 2.321 306 L HA 0.319 4.659 4.340 -0.000 0.000 0.272 306 L C -0.454 176.341 176.870 -0.125 0.000 1.050 306 L CA -0.565 54.204 54.840 -0.118 0.000 0.893 306 L CB 1.282 43.270 42.059 -0.118 0.000 1.272 306 L HN 0.351 nan 8.230 nan 0.000 0.435 307 V N 2.659 122.501 119.914 -0.119 0.000 2.372 307 V HA 0.100 4.219 4.120 -0.000 0.000 0.261 307 V C 0.607 176.601 176.094 -0.166 0.000 1.055 307 V CA -0.441 61.815 62.300 -0.073 0.000 0.930 307 V CB 0.853 32.666 31.823 -0.016 0.000 1.031 307 V HN 0.631 nan 8.190 nan 0.000 0.479 308 N N 4.446 123.008 118.700 -0.230 0.000 2.430 308 N HA 0.080 4.820 4.740 -0.000 0.000 0.265 308 N C 0.052 175.356 175.510 -0.343 0.000 1.100 308 N CA -0.281 52.522 53.050 -0.411 0.000 0.961 308 N CB 1.106 39.388 38.487 -0.341 0.000 1.075 308 N HN 0.715 nan 8.380 nan 0.000 0.478 309 Y N 2.458 122.554 120.300 -0.339 0.000 2.571 309 Y HA 0.356 4.905 4.550 -0.001 0.000 0.275 309 Y C 1.685 177.437 175.900 -0.247 0.000 1.179 309 Y CA -0.600 57.273 58.100 -0.378 0.000 1.242 309 Y CB -0.197 37.919 38.460 -0.574 0.000 1.126 309 Y HN 0.431 nan 8.280 nan 0.000 0.524 310 K N 0.880 121.181 120.400 -0.165 0.000 2.209 310 K HA -0.163 4.157 4.320 -0.000 0.000 0.204 310 K C -0.379 176.287 176.600 0.109 0.000 1.048 310 K CA 1.569 57.872 56.287 0.028 0.000 0.940 310 K CB 0.105 32.566 32.500 -0.067 0.000 0.729 310 K HN 0.371 nan 8.250 nan 0.000 0.451 311 D N 0.112 120.525 120.400 0.022 0.000 2.336 311 D HA 0.018 4.658 4.640 -0.000 0.000 0.248 311 D C 0.401 176.690 176.300 -0.018 0.000 1.326 311 D CA -0.402 53.614 54.000 0.027 0.000 0.973 311 D CB 0.771 41.574 40.800 0.006 0.000 1.255 311 D HN 0.217 nan 8.370 nan 0.000 0.558 312 I N 0.539 121.092 120.570 -0.029 0.000 3.111 312 I HA 0.033 4.203 4.170 -0.000 0.000 0.272 312 I C 0.215 176.306 176.117 -0.043 0.000 1.268 312 I CA 0.674 61.920 61.300 -0.090 0.000 1.467 312 I CB 0.352 38.213 38.000 -0.232 0.000 1.087 312 I HN 0.065 nan 8.210 nan 0.000 0.467 313 D N 1.758 122.150 120.400 -0.013 0.000 2.213 313 D HA -0.034 4.606 4.640 -0.000 0.000 0.205 313 D C 0.149 176.438 176.300 -0.019 0.000 0.961 313 D CA 0.877 54.870 54.000 -0.011 0.000 0.853 313 D CB -0.081 40.721 40.800 0.003 0.000 0.967 313 D HN 0.629 nan 8.370 nan 0.000 0.496 314 N N 0.907 119.596 118.700 -0.019 0.000 2.841 314 N HA 0.205 4.945 4.740 -0.000 0.000 0.257 314 N C -0.889 174.602 175.510 -0.031 0.000 1.396 314 N CA -0.504 52.532 53.050 -0.024 0.000 0.823 314 N CB 1.380 39.855 38.487 -0.020 0.000 1.162 314 N HN -0.115 nan 8.380 nan 0.000 0.503 315 L N 1.459 122.664 121.223 -0.031 0.000 2.540 315 L HA 0.075 4.415 4.340 -0.000 0.000 0.276 315 L C 0.198 177.049 176.870 -0.032 0.000 1.212 315 L CA 1.117 55.940 54.840 -0.028 0.000 0.893 315 L CB 0.450 42.506 42.059 -0.005 0.000 1.138 315 L HN 0.383 nan 8.230 nan 0.000 0.491 316 T N 4.237 118.761 114.554 -0.051 0.000 2.786 316 T HA 0.613 4.963 4.350 -0.000 0.000 0.283 316 T C -0.716 173.948 174.700 -0.060 0.000 0.992 316 T CA -0.425 61.638 62.100 -0.062 0.000 0.954 316 T CB 1.198 70.010 68.868 -0.093 0.000 0.934 316 T HN 0.260 nan 8.240 nan 0.000 0.440 317 V N 3.517 123.410 119.914 -0.036 0.000 2.531 317 V HA 0.461 4.580 4.120 -0.000 0.000 0.301 317 V C 0.077 176.146 176.094 -0.041 0.000 1.034 317 V CA -0.820 61.466 62.300 -0.023 0.000 0.865 317 V CB 2.185 34.034 31.823 0.043 0.000 0.995 317 V HN 0.918 nan 8.190 nan 0.000 0.424 318 T N 3.017 117.534 114.554 -0.062 0.000 2.753 318 T HA 0.208 4.558 4.350 -0.000 0.000 0.297 318 T C 0.184 174.858 174.700 -0.044 0.000 0.981 318 T CA -0.004 62.059 62.100 -0.062 0.000 0.956 318 T CB 1.036 69.851 68.868 -0.088 0.000 0.936 318 T HN 0.583 nan 8.240 nan 0.000 0.463 319 S N 4.414 120.097 115.700 -0.028 0.000 2.400 319 S HA 0.422 4.892 4.470 -0.000 0.000 0.295 319 S C 0.149 174.734 174.600 -0.024 0.000 1.113 319 S CA -0.746 57.443 58.200 -0.020 0.000 1.064 319 S CB -0.479 62.717 63.200 -0.006 0.000 0.990 319 S HN 0.529 nan 8.310 nan 0.000 0.502 320 I N 4.274 124.827 120.570 -0.028 0.000 2.331 320 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 320 I C 1.164 177.264 176.117 -0.028 0.000 0.998 320 I CA -0.821 60.463 61.300 -0.027 0.000 1.267 320 I CB 1.290 39.274 38.000 -0.026 0.000 1.386 320 I HN 0.591 nan 8.210 nan 0.000 0.476 321 G N 3.756 112.540 108.800 -0.028 0.000 2.403 321 G HA2 0.501 4.461 3.960 -0.000 0.000 0.259 321 G HA3 0.501 4.461 3.960 -0.000 0.000 0.259 321 G C 0.107 174.984 174.900 -0.037 0.000 1.244 321 G CA 0.207 45.287 45.100 -0.032 0.000 0.849 321 G HN 0.824 nan 8.290 nan 0.000 0.532 322 A N 1.941 124.734 122.820 -0.044 0.000 2.290 322 A HA 0.973 5.292 4.320 -0.000 0.000 0.204 322 A C 0.546 178.104 177.584 -0.045 0.000 2.001 322 A CA 0.693 52.700 52.037 -0.049 0.000 1.643 322 A CB 0.162 19.131 19.000 -0.052 0.000 1.293 322 A HN 2.108 nan 8.150 nan 0.000 0.474 323 A N -0.788 122.004 122.820 -0.047 0.000 2.589 323 A HA 0.702 5.022 4.320 -0.000 0.000 0.296 323 A C -3.192 174.357 177.584 -0.058 0.000 1.062 323 A CA -1.320 50.696 52.037 -0.035 0.000 0.686 323 A CB 0.509 19.504 19.000 -0.009 0.000 1.282 323 A HN 0.213 nan 8.150 nan 0.000 0.404 324 P HA 0.379 nan 4.420 nan 0.000 0.268 324 P C -0.426 176.809 177.300 -0.108 0.000 1.208 324 P CA 0.659 63.610 63.100 -0.248 0.000 0.777 324 P CB -0.147 31.379 31.700 -0.290 0.000 0.875 325 F N -2.683 117.238 119.950 -0.050 0.000 3.040 325 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 325 F C 0.246 176.049 175.800 0.004 0.000 0.948 325 F CA 0.122 58.103 58.000 -0.031 0.000 1.022 325 F CB -2.409 36.572 39.000 -0.032 0.000 1.023 325 F HN 0.159 nan 8.300 nan 0.000 0.742 326 L N 0.976 122.242 121.223 0.071 0.000 2.456 326 L HA 0.210 4.550 4.340 -0.000 0.000 0.272 326 L C 1.407 178.374 176.870 0.161 0.000 1.189 326 L CA 0.323 55.207 54.840 0.073 0.000 0.846 326 L CB 0.773 42.840 42.059 0.012 0.000 1.111 326 L HN 0.477 nan 8.230 nan 0.000 0.475 327 H N 0.796 119.881 119.070 0.024 0.000 5.180 327 H HA 0.150 4.706 4.556 -0.000 0.000 0.088 327 H C -0.816 174.526 175.328 0.023 0.000 1.297 327 H CA -0.024 56.049 56.048 0.041 0.000 0.486 327 H CB 0.837 30.620 29.762 0.034 0.000 1.599 327 H HN 0.778 nan 8.280 nan 0.000 0.117 328 D N 0.128 120.547 120.400 0.031 0.000 2.487 328 D HA 0.533 5.172 4.640 -0.000 0.000 0.262 328 D C 0.406 176.683 176.300 -0.038 0.000 1.130 328 D CA -0.233 53.746 54.000 -0.035 0.000 1.038 328 D CB 2.223 42.999 40.800 -0.039 0.000 1.142 328 D HN 0.728 nan 8.370 nan 0.000 0.575 329 G N -2.855 105.947 108.800 0.003 0.000 2.337 329 G HA2 0.567 4.527 3.960 -0.000 0.000 0.298 329 G HA3 0.567 4.527 3.960 -0.000 0.000 0.298 329 G C -1.024 173.921 174.900 0.075 0.000 1.335 329 G CA -0.266 44.785 45.100 -0.082 0.000 0.875 329 G HN 0.961 nan 8.290 nan 0.000 0.579 330 G N -1.972 106.864 108.800 0.060 0.000 2.600 330 G HA2 0.570 4.530 3.960 -0.000 0.000 0.293 330 G HA3 0.570 4.530 3.960 -0.000 0.000 0.293 330 G C -1.068 174.046 174.900 0.356 0.000 1.408 330 G CA -0.834 44.431 45.100 0.275 0.000 0.782 330 G HN 0.726 nan 8.290 nan 0.000 0.482 331 W N 1.113 122.775 121.300 0.602 0.000 2.123 331 W HA 0.296 4.956 4.660 -0.001 0.000 0.351 331 W C 1.079 177.822 176.519 0.374 0.000 1.292 331 W CA -0.303 57.259 57.345 0.361 0.000 1.263 331 W CB 0.712 30.223 29.460 0.085 0.000 1.165 331 W HN 0.617 nan 8.180 nan 0.000 0.590 332 D N -0.267 120.505 120.400 0.621 0.000 2.447 332 D HA 0.006 4.645 4.640 -0.000 0.000 0.265 332 D C 1.352 177.915 176.300 0.438 0.000 1.250 332 D CA 0.268 54.556 54.000 0.481 0.000 1.046 332 D CB 0.418 41.482 40.800 0.439 0.000 1.095 332 D HN 0.392 nan 8.370 nan 0.000 0.555 333 S N -0.161 115.721 115.700 0.305 0.000 2.374 333 S HA -0.256 4.214 4.470 -0.000 0.000 0.227 333 S C 1.948 176.555 174.600 0.012 0.000 1.037 333 S CA 1.808 60.097 58.200 0.148 0.000 1.024 333 S CB -1.053 62.203 63.200 0.094 0.000 0.861 333 S HN 0.641 nan 8.310 nan 0.000 0.456 334 S N 0.456 116.194 115.700 0.065 0.000 2.522 334 S HA -0.011 4.459 4.470 -0.000 0.000 0.227 334 S C 0.566 175.088 174.600 -0.130 0.000 0.986 334 S CA 0.574 58.746 58.200 -0.047 0.000 0.929 334 S CB -1.109 62.126 63.200 0.058 0.000 0.769 334 S HN 0.784 nan 8.310 nan 0.000 0.529 335 H N -0.159 118.773 119.070 -0.230 0.000 2.903 335 H HA -0.126 4.430 4.556 -0.001 0.000 0.285 335 H C 1.225 175.975 175.328 -0.963 0.000 1.231 335 H CA 0.754 56.359 56.048 -0.738 0.000 1.135 335 H CB -1.010 28.174 29.762 -0.963 0.000 1.328 335 H HN 0.506 nan 8.280 nan 0.000 0.388 336 R N 0.016 120.320 120.500 -0.327 0.000 2.310 336 R HA 0.100 4.439 4.340 -0.000 0.000 0.199 336 R C -0.411 175.738 176.300 -0.252 0.000 0.891 336 R CA 0.241 56.087 56.100 -0.424 0.000 1.060 336 R CB 0.774 30.801 30.300 -0.455 0.000 1.188 336 R HN 0.123 nan 8.270 nan 0.000 0.607 337 Y N 0.279 120.761 120.300 0.303 0.000 2.335 337 Y HA 0.271 4.821 4.550 -0.000 0.000 0.339 337 Y C -0.660 175.513 175.900 0.455 0.000 0.987 337 Y CA -1.179 57.109 58.100 0.313 0.000 1.140 337 Y CB 1.052 39.613 38.460 0.168 0.000 1.173 337 Y HN -0.069 nan 8.280 nan 0.000 0.486 338 F N 5.733 125.846 119.950 0.272 0.000 2.434 338 F HA 0.347 4.874 4.527 -0.000 0.000 0.358 338 F C -0.583 175.077 175.800 -0.235 0.000 1.136 338 F CA -1.620 56.330 58.000 -0.082 0.000 1.157 338 F CB 0.395 39.237 39.000 -0.264 0.000 1.167 338 F HN 0.330 nan 8.300 nan 0.000 0.539 339 M N 6.335 125.496 119.600 -0.730 0.000 2.261 339 M HA 0.159 4.638 4.480 -0.000 0.000 0.349 339 M C 0.198 175.757 176.300 -1.234 0.000 1.305 339 M CA 0.034 54.646 55.300 -1.148 0.000 1.240 339 M CB -0.163 31.181 32.600 -2.093 0.000 1.394 339 M HN 0.590 nan 8.290 nan 0.000 0.438 340 T N 1.766 115.698 114.554 -1.038 0.000 2.912 340 T HA 0.825 5.175 4.350 -0.000 0.000 0.288 340 T C -0.846 173.647 174.700 -0.345 0.000 1.030 340 T CA -0.623 61.001 62.100 -0.793 0.000 1.020 340 T CB 1.552 69.879 68.868 -0.901 0.000 1.056 340 T HN 0.690 nan 8.240 nan 0.000 0.480 341 A N 2.318 125.044 122.820 -0.158 0.000 2.271 341 A HA 0.744 5.063 4.320 -0.000 0.000 0.317 341 A C 0.432 178.022 177.584 0.009 0.000 1.245 341 A CA -0.566 51.450 52.037 -0.034 0.000 0.857 341 A CB 0.479 19.492 19.000 0.020 0.000 1.175 341 A HN 1.172 nan 8.150 nan 0.000 0.512 342 A N 3.534 126.365 122.820 0.019 0.000 3.126 342 A HA 0.341 4.661 4.320 -0.000 0.000 0.268 342 A C 1.112 178.753 177.584 0.095 0.000 1.605 342 A CA -0.207 51.872 52.037 0.069 0.000 1.305 342 A CB -1.064 17.963 19.000 0.045 0.000 1.160 342 A HN 1.002 nan 8.150 nan 0.000 0.609 343 N N 1.828 120.579 118.700 0.085 0.000 2.011 343 N HA -0.319 4.421 4.740 -0.000 0.000 0.199 343 N C 0.824 176.349 175.510 0.026 0.000 1.047 343 N CA 2.571 55.647 53.050 0.043 0.000 0.863 343 N CB -0.875 37.604 38.487 -0.013 0.000 1.056 343 N HN 0.684 nan 8.380 nan 0.000 0.427 344 N N -0.962 117.725 118.700 -0.021 0.000 2.609 344 N HA 0.057 4.797 4.740 -0.000 0.000 0.190 344 N C 0.318 175.833 175.510 0.008 0.000 1.157 344 N CA 0.565 53.535 53.050 -0.133 0.000 0.918 344 N CB 0.035 38.187 38.487 -0.559 0.000 0.978 344 N HN 0.260 nan 8.380 nan 0.000 0.448 345 S N 0.232 115.993 115.700 0.101 0.000 2.524 345 S HA 0.088 4.558 4.470 -0.000 0.000 0.215 345 S C 0.164 174.806 174.600 0.068 0.000 0.986 345 S CA -0.347 57.914 58.200 0.103 0.000 0.911 345 S CB 0.285 63.559 63.200 0.122 0.000 0.805 345 S HN 0.306 nan 8.310 nan 0.000 0.501 346 N N 1.571 120.311 118.700 0.067 0.000 2.735 346 N HA -0.139 4.601 4.740 -0.000 0.000 0.248 346 N C -0.637 174.924 175.510 0.086 0.000 1.083 346 N CA 1.095 54.194 53.050 0.082 0.000 0.703 346 N CB -1.068 37.456 38.487 0.062 0.000 1.005 346 N HN 0.529 nan 8.380 nan 0.000 0.550 347 K N -0.712 119.733 120.400 0.074 0.000 2.444 347 K HA 0.715 5.035 4.320 -0.000 0.000 0.252 347 K C -0.599 176.025 176.600 0.040 0.000 0.993 347 K CA -0.773 55.548 56.287 0.057 0.000 0.847 347 K CB 2.596 35.116 32.500 0.033 0.000 1.340 347 K HN -0.141 nan 8.250 nan 0.000 0.446 348 V N 1.589 121.515 119.914 0.020 0.000 2.443 348 V HA 0.416 4.536 4.120 -0.000 0.000 0.293 348 V C -0.751 175.275 176.094 -0.114 0.000 1.021 348 V CA -0.764 61.515 62.300 -0.034 0.000 0.848 348 V CB 1.435 33.286 31.823 0.045 0.000 0.998 348 V HN 0.909 nan 8.190 nan 0.000 0.424 349 A N 5.202 127.915 122.820 -0.178 0.000 2.331 349 A HA 0.732 5.051 4.320 -0.000 0.000 0.283 349 A C -0.417 176.977 177.584 -0.317 0.000 1.142 349 A CA -0.339 51.575 52.037 -0.205 0.000 0.812 349 A CB 0.896 19.799 19.000 -0.161 0.000 1.074 349 A HN 0.708 nan 8.150 nan 0.000 0.497 350 V N 4.708 124.418 119.914 -0.340 0.000 2.311 350 V HA 0.237 4.356 4.120 -0.000 0.000 0.275 350 V C -0.528 175.398 176.094 -0.281 0.000 1.022 350 V CA -0.468 61.562 62.300 -0.450 0.000 0.830 350 V CB 0.799 32.097 31.823 -0.876 0.000 1.012 350 V HN 0.665 nan 8.190 nan 0.000 0.452 351 I N 3.813 124.316 120.570 -0.111 0.000 2.304 351 I HA 0.319 4.489 4.170 -0.000 0.000 0.291 351 I C 0.257 176.443 176.117 0.114 0.000 1.018 351 I CA -0.658 60.660 61.300 0.029 0.000 1.260 351 I CB 1.250 39.339 38.000 0.149 0.000 1.390 351 I HN 0.551 nan 8.210 nan 0.000 0.475 352 D N 4.427 124.872 120.400 0.076 0.000 2.352 352 D HA 0.053 4.693 4.640 -0.000 0.000 0.245 352 D C 1.209 177.510 176.300 0.002 0.000 1.224 352 D CA 0.091 54.099 54.000 0.014 0.000 0.879 352 D CB 1.044 41.892 40.800 0.081 0.000 1.057 352 D HN 0.559 nan 8.370 nan 0.000 0.491 353 S N 3.271 118.973 115.700 0.004 0.000 2.489 353 S HA -0.099 4.371 4.470 -0.000 0.000 0.228 353 S C 1.569 176.197 174.600 0.045 0.000 0.995 353 S CA 0.479 58.726 58.200 0.078 0.000 0.934 353 S CB 0.258 63.589 63.200 0.218 0.000 0.771 353 S HN 0.488 nan 8.310 nan 0.000 0.522 354 K N 1.199 121.568 120.400 -0.052 0.000 2.056 354 K HA 0.023 4.343 4.320 -0.000 0.000 0.205 354 K C 0.916 177.596 176.600 0.134 0.000 1.035 354 K CA 1.282 57.557 56.287 -0.020 0.000 0.955 354 K CB -0.145 32.287 32.500 -0.114 0.000 0.769 354 K HN 0.150 nan 8.250 nan 0.000 0.447 355 D N 0.902 121.334 120.400 0.052 0.000 2.363 355 D HA -0.020 4.620 4.640 -0.000 0.000 0.220 355 D C -0.452 175.864 176.300 0.027 0.000 0.994 355 D CA 0.406 54.439 54.000 0.055 0.000 0.890 355 D CB 0.031 40.866 40.800 0.058 0.000 0.906 355 D HN 0.226 nan 8.370 nan 0.000 0.530 356 R N 0.387 120.902 120.500 0.025 0.000 3.152 356 R HA -0.223 4.117 4.340 -0.000 0.000 0.252 356 R C -0.286 176.007 176.300 -0.013 0.000 0.930 356 R CA 0.464 56.559 56.100 -0.009 0.000 0.642 356 R CB -2.088 28.169 30.300 -0.072 0.000 1.205 356 R HN 0.392 nan 8.270 nan 0.000 0.452 357 R N -1.053 119.449 120.500 0.003 0.000 2.690 357 R HA 0.420 4.759 4.340 -0.000 0.000 0.269 357 R C -1.256 175.038 176.300 -0.010 0.000 1.037 357 R CA -1.339 54.759 56.100 -0.003 0.000 0.877 357 R CB 0.767 31.071 30.300 0.008 0.000 1.255 357 R HN 0.011 nan 8.270 nan 0.000 0.467 358 L N 2.322 123.527 121.223 -0.030 0.000 2.456 358 L HA 0.195 4.535 4.340 -0.000 0.000 0.277 358 L C 0.488 177.302 176.870 -0.093 0.000 1.124 358 L CA 0.696 55.496 54.840 -0.067 0.000 0.880 358 L CB 1.062 43.084 42.059 -0.062 0.000 1.192 358 L HN 0.822 nan 8.230 nan 0.000 0.463 359 S N 3.622 119.216 115.700 -0.177 0.000 2.387 359 S HA 0.390 4.860 4.470 -0.000 0.000 0.226 359 S C 0.583 174.984 174.600 -0.331 0.000 1.026 359 S CA 0.717 58.755 58.200 -0.269 0.000 0.972 359 S CB -0.164 62.710 63.200 -0.544 0.000 0.814 359 S HN 0.919 nan 8.310 nan 0.000 0.477 360 A N -0.255 122.343 122.820 -0.369 0.000 2.549 360 A HA 0.620 4.939 4.320 -0.000 0.000 0.291 360 A C -2.095 175.388 177.584 -0.168 0.000 1.034 360 A CA -0.770 51.138 52.037 -0.214 0.000 0.655 360 A CB 0.399 19.307 19.000 -0.154 0.000 1.299 360 A HN 0.163 nan 8.150 nan 0.000 0.427 361 L N 1.616 122.796 121.223 -0.071 0.000 2.353 361 L HA 0.459 4.799 4.340 -0.000 0.000 0.270 361 L C -0.874 175.995 176.870 -0.001 0.000 1.003 361 L CA -0.839 53.973 54.840 -0.047 0.000 0.862 361 L CB 1.565 43.608 42.059 -0.028 0.000 1.221 361 L HN 0.522 nan 8.230 nan 0.000 0.430 362 V N 1.868 121.787 119.914 0.008 0.000 2.432 362 V HA 0.176 4.296 4.120 -0.000 0.000 0.271 362 V C 0.172 176.303 176.094 0.061 0.000 1.046 362 V CA -0.689 61.645 62.300 0.056 0.000 0.945 362 V CB 1.263 33.140 31.823 0.091 0.000 0.992 362 V HN 0.542 nan 8.190 nan 0.000 0.471 363 D N 3.668 124.104 120.400 0.061 0.000 2.348 363 D HA 0.408 5.047 4.640 -0.000 0.000 0.253 363 D C 0.203 176.552 176.300 0.082 0.000 1.161 363 D CA 0.256 54.293 54.000 0.062 0.000 0.876 363 D CB 2.127 42.954 40.800 0.045 0.000 1.160 363 D HN 0.503 nan 8.370 nan 0.000 0.459 364 V N -0.172 119.809 119.914 0.111 0.000 3.271 364 V HA 0.838 4.958 4.120 -0.000 0.000 0.305 364 V C 0.730 176.891 176.094 0.111 0.000 1.303 364 V CA -0.787 61.613 62.300 0.166 0.000 1.038 364 V CB 0.605 32.611 31.823 0.306 0.000 1.197 364 V HN 0.465 nan 8.190 nan 0.000 0.478 365 G N -0.470 108.357 108.800 0.044 0.000 2.611 365 G HA2 0.393 4.353 3.960 -0.000 0.000 0.273 365 G HA3 0.393 4.353 3.960 -0.000 0.000 0.273 365 G C -0.461 174.405 174.900 -0.057 0.000 1.305 365 G CA -0.820 44.071 45.100 -0.349 0.000 1.010 365 G HN 0.842 nan 8.290 nan 0.000 0.509 366 K N 0.716 121.059 120.400 -0.095 0.000 2.383 366 K HA 0.340 4.660 4.320 -0.000 0.000 0.286 366 K C 0.171 176.862 176.600 0.152 0.000 1.051 366 K CA 0.500 56.807 56.287 0.032 0.000 0.974 366 K CB 0.363 32.856 32.500 -0.012 0.000 0.968 366 K HN 0.478 nan 8.250 nan 0.000 0.475 367 T N 3.187 117.821 114.554 0.134 0.000 3.429 367 T HA -0.100 4.250 4.350 -0.000 0.000 0.417 367 T C -2.281 172.512 174.700 0.155 0.000 0.767 367 T CA -0.346 61.817 62.100 0.105 0.000 2.141 367 T CB -1.537 67.352 68.868 0.034 0.000 1.699 367 T HN 0.519 nan 8.240 nan 0.000 0.685 368 P HA 0.109 nan 4.420 nan 0.000 0.268 368 P C -0.227 177.040 177.300 -0.055 0.000 1.205 368 P CA 0.216 63.210 63.100 -0.177 0.000 0.771 368 P CB 0.576 32.196 31.700 -0.134 0.000 0.858 369 H N 4.561 123.512 119.070 -0.199 0.000 2.538 369 H HA 0.233 4.789 4.556 -0.000 0.000 0.239 369 H C -2.200 173.048 175.328 -0.134 0.000 1.401 369 H CA -1.839 54.139 56.048 -0.117 0.000 1.499 369 H CB 1.141 30.819 29.762 -0.140 0.000 1.624 369 H HN 0.145 nan 8.280 nan 0.000 0.524 370 P HA 0.042 nan 4.420 nan 0.000 0.222 370 P C 1.160 178.513 177.300 0.087 0.000 1.153 370 P CA 1.732 64.818 63.100 -0.024 0.000 0.798 370 P CB 0.791 32.566 31.700 0.124 0.000 0.796 371 G N 0.863 109.691 108.800 0.047 0.000 2.595 371 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.297 371 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.297 371 G C 1.005 176.002 174.900 0.160 0.000 1.181 371 G CA 0.467 45.719 45.100 0.253 0.000 0.963 371 G HN 0.314 nan 8.290 nan 0.000 0.541 372 R N 1.582 122.133 120.500 0.085 0.000 2.397 372 R HA 0.470 4.810 4.340 -0.000 0.000 0.241 372 R C 1.223 177.555 176.300 0.052 0.000 0.914 372 R CA 1.076 57.103 56.100 -0.122 0.000 1.071 372 R CB 0.296 30.185 30.300 -0.685 0.000 1.116 372 R HN 2.001 nan 8.270 nan 0.000 0.524 373 G N 0.584 109.438 108.800 0.089 0.000 2.782 373 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.228 373 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.228 373 G C -0.943 173.923 174.900 -0.057 0.000 1.372 373 G CA -0.471 44.515 45.100 -0.189 0.000 0.862 373 G HN 0.346 nan 8.290 nan 0.000 0.547 374 A N 0.425 123.088 122.820 -0.262 0.000 2.385 374 A HA 0.733 5.053 4.320 -0.000 0.000 0.290 374 A C -0.263 177.409 177.584 0.148 0.000 1.094 374 A CA -0.561 51.533 52.037 0.095 0.000 0.729 374 A CB 1.013 20.107 19.000 0.157 0.000 1.194 374 A HN 0.775 nan 8.150 nan 0.000 0.442 375 N N 1.972 120.860 118.700 0.313 0.000 2.421 375 N HA 0.768 5.508 4.740 -0.000 0.000 0.285 375 N C -1.063 174.640 175.510 0.323 0.000 1.027 375 N CA 0.206 53.425 53.050 0.282 0.000 0.918 375 N CB 1.661 40.342 38.487 0.323 0.000 1.152 375 N HN 0.667 nan 8.380 nan 0.000 0.485 376 F N -1.835 118.184 119.950 0.115 0.000 2.719 376 F HA 0.440 4.966 4.527 -0.000 0.000 0.309 376 F C -1.354 174.493 175.800 0.078 0.000 1.138 376 F CA -1.204 56.844 58.000 0.081 0.000 0.943 376 F CB 0.558 39.601 39.000 0.073 0.000 1.304 376 F HN -0.006 nan 8.300 nan 0.000 0.445 377 V N 3.208 123.267 119.914 0.242 0.000 2.408 377 V HA 0.173 4.292 4.120 -0.000 0.000 0.267 377 V C 0.100 176.333 176.094 0.232 0.000 1.047 377 V CA -0.264 62.111 62.300 0.125 0.000 0.937 377 V CB 0.244 32.123 31.823 0.093 0.000 0.999 377 V HN 0.841 nan 8.190 nan 0.000 0.472 378 H N 8.942 128.037 119.070 0.041 0.000 2.610 378 H HA 0.211 4.766 4.556 -0.001 0.000 0.336 378 H C -1.467 173.875 175.328 0.024 0.000 1.087 378 H CA -1.727 54.388 56.048 0.111 0.000 1.405 378 H CB 2.230 32.025 29.762 0.054 0.000 1.460 378 H HN 0.383 nan 8.280 nan 0.000 0.538 379 P HA -0.174 nan 4.420 nan 0.000 0.216 379 P C 1.155 178.467 177.300 0.020 0.000 1.150 379 P CA 1.522 64.585 63.100 -0.063 0.000 0.837 379 P CB 0.550 32.160 31.700 -0.149 0.000 0.786 380 K N -1.235 119.225 120.400 0.101 0.000 2.214 380 K HA -0.024 4.295 4.320 -0.000 0.000 0.201 380 K C 1.641 178.090 176.600 -0.252 0.000 1.049 380 K CA 0.500 56.705 56.287 -0.137 0.000 0.978 380 K CB -0.010 32.209 32.500 -0.467 0.000 0.842 380 K HN -0.031 nan 8.250 nan 0.000 0.474 381 Y N 0.840 121.077 120.300 -0.106 0.000 2.466 381 Y HA 0.294 4.843 4.550 -0.000 0.000 0.272 381 Y C 1.062 176.721 175.900 -0.402 0.000 1.169 381 Y CA 0.115 57.863 58.100 -0.586 0.000 1.285 381 Y CB 0.153 38.053 38.460 -0.933 0.000 1.078 381 Y HN 0.344 nan 8.280 nan 0.000 0.523 382 G N 0.653 109.355 108.800 -0.163 0.000 2.645 382 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.239 382 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.239 382 G C -2.715 172.024 174.900 -0.268 0.000 1.331 382 G CA -1.184 43.640 45.100 -0.460 0.000 0.890 382 G HN 0.078 nan 8.290 nan 0.000 0.572 383 P HA 0.402 nan 4.420 nan 0.000 0.263 383 P C 0.180 177.379 177.300 -0.167 0.000 1.195 383 P CA 0.616 63.630 63.100 -0.143 0.000 0.762 383 P CB 0.986 32.645 31.700 -0.068 0.000 0.799 384 V N 0.944 120.726 119.914 -0.221 0.000 3.130 384 V HA 0.718 4.838 4.120 -0.000 0.000 0.310 384 V C -1.729 174.306 176.094 -0.099 0.000 1.158 384 V CA -1.208 60.969 62.300 -0.205 0.000 1.029 384 V CB 2.353 33.956 31.823 -0.366 0.000 1.057 384 V HN 0.543 nan 8.190 nan 0.000 0.436 385 W N 2.586 123.813 121.300 -0.121 0.000 2.587 385 W HA 0.815 5.475 4.660 -0.000 0.000 0.324 385 W C -0.090 176.433 176.519 0.006 0.000 1.040 385 W CA 0.157 57.506 57.345 0.008 0.000 1.222 385 W CB 2.087 31.614 29.460 0.110 0.000 1.381 385 W HN 1.068 nan 8.180 nan 0.000 0.483 386 S N 3.508 118.897 115.700 -0.518 0.000 2.638 386 S HA 0.877 5.346 4.470 -0.000 0.000 0.302 386 S C -0.761 173.361 174.600 -0.795 0.000 1.096 386 S CA -0.746 57.196 58.200 -0.431 0.000 0.953 386 S CB 2.053 65.220 63.200 -0.055 0.000 1.107 386 S HN 0.594 nan 8.310 nan 0.000 0.503 387 T N 0.240 114.527 114.554 -0.446 0.000 2.932 387 T HA 0.647 4.997 4.350 -0.000 0.000 0.318 387 T C -0.456 174.124 174.700 -0.199 0.000 1.265 387 T CA -0.273 61.591 62.100 -0.393 0.000 1.036 387 T CB 1.276 69.894 68.868 -0.418 0.000 1.209 387 T HN 1.172 nan 8.240 nan 0.000 0.484 388 S N 2.571 118.180 115.700 -0.151 0.000 2.718 388 S HA 0.863 5.333 4.470 -0.000 0.000 0.292 388 S C -0.664 173.820 174.600 -0.193 0.000 1.125 388 S CA -0.520 57.675 58.200 -0.008 0.000 1.013 388 S CB 0.767 64.002 63.200 0.058 0.000 1.192 388 S HN 0.872 nan 8.310 nan 0.000 0.535 389 H N -1.802 117.287 119.070 0.031 0.000 2.941 389 H HA 0.585 5.141 4.556 -0.000 0.000 0.344 389 H C 0.023 175.363 175.328 0.019 0.000 1.235 389 H CA -0.816 55.255 56.048 0.037 0.000 1.149 389 H CB 1.029 30.809 29.762 0.030 0.000 1.885 389 H HN 0.389 nan 8.280 nan 0.000 0.558 390 L N -0.513 120.799 121.223 0.147 0.000 2.537 390 L HA 0.259 4.599 4.340 -0.000 0.000 0.224 390 L C 2.044 178.947 176.870 0.056 0.000 1.065 390 L CA 0.784 55.661 54.840 0.062 0.000 0.860 390 L CB 0.354 42.418 42.059 0.009 0.000 1.086 390 L HN 0.845 nan 8.230 nan 0.000 0.482 391 G N -0.289 108.556 108.800 0.076 0.000 2.777 391 G HA2 0.016 3.976 3.960 -0.000 0.000 0.211 391 G HA3 0.016 3.976 3.960 -0.000 0.000 0.211 391 G C -0.201 174.707 174.900 0.014 0.000 1.149 391 G CA 0.608 45.727 45.100 0.030 0.000 0.785 391 G HN 0.494 nan 8.290 nan 0.000 0.536 392 D N -3.764 116.653 120.400 0.029 0.000 2.713 392 D HA 0.392 5.032 4.640 -0.000 0.000 0.306 392 D C 0.668 176.986 176.300 0.029 0.000 1.299 392 D CA -0.112 53.886 54.000 -0.003 0.000 0.823 392 D CB 0.475 41.236 40.800 -0.066 0.000 1.353 392 D HN -0.095 nan 8.370 nan 0.000 0.447 393 G N -0.892 107.923 108.800 0.024 0.000 3.314 393 G HA2 0.313 4.273 3.960 -0.000 0.000 0.238 393 G HA3 0.313 4.273 3.960 -0.000 0.000 0.238 393 G C 0.361 175.308 174.900 0.078 0.000 1.184 393 G CA 0.269 45.405 45.100 0.060 0.000 0.806 393 G HN 0.640 nan 8.290 nan 0.000 0.536 394 S N -0.301 115.414 115.700 0.025 0.000 2.624 394 S HA 0.656 5.126 4.470 -0.000 0.000 0.263 394 S C -0.499 174.201 174.600 0.167 0.000 1.287 394 S CA -0.405 57.813 58.200 0.029 0.000 0.990 394 S CB 1.750 64.875 63.200 -0.125 0.000 0.950 394 S HN -0.013 nan 8.310 nan 0.000 0.561 395 I N 1.458 122.106 120.570 0.130 0.000 2.503 395 I HA 0.269 4.439 4.170 -0.000 0.000 0.282 395 I C -0.522 175.655 176.117 0.100 0.000 1.059 395 I CA 0.007 61.378 61.300 0.119 0.000 1.081 395 I CB 2.023 40.010 38.000 -0.021 0.000 1.210 395 I HN 0.633 nan 8.210 nan 0.000 0.450 396 S N 6.679 122.481 115.700 0.170 0.000 2.513 396 S HA 0.608 5.078 4.470 -0.000 0.000 0.276 396 S C -0.235 174.393 174.600 0.047 0.000 1.254 396 S CA -0.524 57.748 58.200 0.120 0.000 1.053 396 S CB 0.635 63.958 63.200 0.205 0.000 0.958 396 S HN 0.344 nan 8.310 nan 0.000 0.491 397 L N 4.428 125.657 121.223 0.011 0.000 2.294 397 L HA 0.544 4.884 4.340 -0.000 0.000 0.283 397 L C -0.696 176.141 176.870 -0.055 0.000 1.015 397 L CA -0.343 54.474 54.840 -0.038 0.000 0.831 397 L CB 0.686 42.707 42.059 -0.063 0.000 1.217 397 L HN 0.504 nan 8.230 nan 0.000 0.420 398 I N 2.346 122.944 120.570 0.047 0.000 2.354 398 I HA 0.361 4.530 4.170 -0.000 0.000 0.292 398 I C 0.923 177.062 176.117 0.037 0.000 0.989 398 I CA -0.480 60.873 61.300 0.087 0.000 1.188 398 I CB 1.871 40.027 38.000 0.261 0.000 1.342 398 I HN 0.590 nan 8.210 nan 0.000 0.457 399 G N 2.656 111.417 108.800 -0.065 0.000 2.365 399 G HA2 0.321 4.280 3.960 -0.000 0.000 0.249 399 G HA3 0.321 4.280 3.960 -0.000 0.000 0.249 399 G C 0.561 175.334 174.900 -0.211 0.000 1.288 399 G CA -0.147 44.868 45.100 -0.140 0.000 0.887 399 G HN 0.741 nan 8.290 nan 0.000 0.524 400 T N -1.055 113.374 114.554 -0.209 0.000 3.296 400 T HA 0.227 4.576 4.350 -0.000 0.000 0.285 400 T C -0.147 174.331 174.700 -0.370 0.000 1.014 400 T CA -0.437 61.492 62.100 -0.284 0.000 0.920 400 T CB 0.538 69.487 68.868 0.135 0.000 1.143 400 T HN 0.350 nan 8.240 nan 0.000 0.522 401 D N 1.499 121.668 120.400 -0.385 0.000 2.434 401 D HA 0.406 5.045 4.640 -0.000 0.000 0.275 401 D C -2.013 174.153 176.300 -0.223 0.000 1.172 401 D CA -2.437 51.451 54.000 -0.187 0.000 0.916 401 D CB 1.807 42.619 40.800 0.020 0.000 1.041 401 D HN 0.004 nan 8.370 nan 0.000 0.501 402 P HA -0.098 nan 4.420 nan 0.000 0.218 402 P C 1.041 178.290 177.300 -0.085 0.000 1.149 402 P CA 1.005 63.954 63.100 -0.252 0.000 0.817 402 P CB 0.573 32.191 31.700 -0.136 0.000 0.785 403 K N -0.515 119.874 120.400 -0.017 0.000 1.967 403 K HA -0.027 4.293 4.320 -0.000 0.000 0.212 403 K C 1.589 178.173 176.600 -0.027 0.000 1.044 403 K CA 1.401 57.690 56.287 0.003 0.000 0.942 403 K CB -0.454 32.068 32.500 0.036 0.000 0.726 403 K HN -0.009 nan 8.250 nan 0.000 0.440 404 N N -0.049 118.648 118.700 -0.005 0.000 2.398 404 N HA -0.011 4.728 4.740 -0.000 0.000 0.188 404 N C -0.415 174.923 175.510 -0.286 0.000 1.122 404 N CA 0.610 53.605 53.050 -0.092 0.000 0.866 404 N CB 0.452 38.918 38.487 -0.036 0.000 0.970 404 N HN 0.264 nan 8.380 nan 0.000 0.462 405 H N -1.618 117.413 119.070 -0.064 0.000 2.823 405 H HA 0.220 4.775 4.556 -0.001 0.000 0.222 405 H C -1.833 173.394 175.328 -0.169 0.000 1.414 405 H CA -1.033 54.976 56.048 -0.065 0.000 1.289 405 H CB 1.232 31.029 29.762 0.057 0.000 1.970 405 H HN 0.003 nan 8.280 nan 0.000 0.517 406 P HA -0.188 nan 4.420 nan 0.000 0.216 406 P C 1.181 178.354 177.300 -0.212 0.000 1.150 406 P CA 1.187 64.184 63.100 -0.172 0.000 0.837 406 P CB 0.456 32.078 31.700 -0.130 0.000 0.786 407 Q N -1.650 117.973 119.800 -0.295 0.000 2.291 407 Q HA -0.155 4.184 4.340 -0.000 0.000 0.206 407 Q C 1.141 176.913 176.000 -0.379 0.000 0.976 407 Q CA 1.547 57.111 55.803 -0.399 0.000 0.875 407 Q CB -1.305 27.045 28.738 -0.647 0.000 0.927 407 Q HN 0.419 nan 8.270 nan 0.000 0.450 408 Y N -0.360 119.895 120.300 -0.076 0.000 2.444 408 Y HA 0.541 5.091 4.550 -0.001 0.000 0.249 408 Y C 0.515 176.260 175.900 -0.259 0.000 1.134 408 Y CA -0.954 57.066 58.100 -0.133 0.000 1.261 408 Y CB -0.223 38.190 38.460 -0.078 0.000 1.143 408 Y HN 0.011 nan 8.280 nan 0.000 0.523 409 A N -0.140 122.512 122.820 -0.281 0.000 2.524 409 A HA 0.160 4.480 4.320 -0.000 0.000 0.250 409 A C 0.065 177.291 177.584 -0.598 0.000 1.078 409 A CA -0.007 51.560 52.037 -0.784 0.000 0.761 409 A CB -0.942 17.398 19.000 -1.100 0.000 1.012 409 A HN 0.753 nan 8.150 nan 0.000 0.500 410 W N 0.241 121.507 121.300 -0.057 0.000 3.834 410 W HA -0.215 4.444 4.660 -0.000 0.000 0.320 410 W C 0.324 176.827 176.519 -0.027 0.000 1.201 410 W CA 0.598 57.911 57.345 -0.054 0.000 0.701 410 W CB -1.562 27.861 29.460 -0.062 0.000 2.264 410 W HN 0.660 nan 8.180 nan 0.000 1.413 411 K N 1.147 121.613 120.400 0.111 0.000 2.203 411 K HA 0.330 4.650 4.320 -0.000 0.000 0.251 411 K C 0.289 176.892 176.600 0.006 0.000 0.944 411 K CA -1.184 55.136 56.287 0.054 0.000 0.829 411 K CB 1.589 34.101 32.500 0.020 0.000 1.125 411 K HN -0.191 nan 8.250 nan 0.000 0.430 412 K N 3.451 123.852 120.400 0.000 0.000 2.155 412 K HA 0.037 4.357 4.320 -0.000 0.000 0.240 412 K C 0.763 177.282 176.600 -0.136 0.000 1.193 412 K CA 0.004 56.273 56.287 -0.029 0.000 1.104 412 K CB 0.144 32.653 32.500 0.015 0.000 1.558 412 K HN 0.426 nan 8.250 nan 0.000 0.313 413 V N 2.172 121.919 119.914 -0.278 0.000 2.469 413 V HA -0.185 3.935 4.120 -0.000 0.000 0.251 413 V C 0.724 176.418 176.094 -0.666 0.000 1.064 413 V CA 2.071 63.995 62.300 -0.625 0.000 1.066 413 V CB -0.164 31.042 31.823 -1.029 0.000 0.667 413 V HN 0.800 nan 8.190 nan 0.000 0.461 414 A N -1.619 120.977 122.820 -0.374 0.000 2.564 414 A HA 0.744 5.064 4.320 -0.000 0.000 0.291 414 A C -1.001 176.554 177.584 -0.048 0.000 1.102 414 A CA -0.663 51.279 52.037 -0.159 0.000 0.660 414 A CB 1.400 20.363 19.000 -0.061 0.000 1.283 414 A HN 0.240 nan 8.150 nan 0.000 0.430 415 E N -0.334 119.875 120.200 0.015 0.000 2.367 415 E HA 0.688 5.038 4.350 -0.000 0.000 0.273 415 E C -1.559 175.070 176.600 0.049 0.000 0.903 415 E CA -0.579 55.839 56.400 0.030 0.000 0.764 415 E CB 2.360 32.076 29.700 0.027 0.000 1.252 415 E HN 0.551 nan 8.360 nan 0.000 0.446 416 L N 1.390 122.628 121.223 0.024 0.000 2.309 416 L HA 0.502 4.841 4.340 -0.000 0.000 0.261 416 L C -0.711 176.230 176.870 0.118 0.000 1.021 416 L CA -1.128 53.724 54.840 0.019 0.000 0.823 416 L CB 1.873 43.750 42.059 -0.303 0.000 1.366 416 L HN 0.301 nan 8.230 nan 0.000 0.423 417 Q N 0.811 120.783 119.800 0.286 0.000 2.340 417 Q HA 0.526 4.866 4.340 -0.000 0.000 0.268 417 Q C -0.177 176.124 176.000 0.503 0.000 1.031 417 Q CA -0.364 55.625 55.803 0.309 0.000 0.804 417 Q CB 2.477 31.360 28.738 0.241 0.000 1.286 417 Q HN 0.837 nan 8.270 nan 0.000 0.448 418 G N 0.566 109.543 108.800 0.294 0.000 2.671 418 G HA2 0.167 4.126 3.960 -0.000 0.000 0.275 418 G HA3 0.167 4.126 3.960 -0.000 0.000 0.275 418 G C 0.449 175.318 174.900 -0.050 0.000 1.368 418 G CA -0.283 44.831 45.100 0.023 0.000 1.044 418 G HN 0.546 nan 8.290 nan 0.000 0.543 419 Q N -0.607 119.025 119.800 -0.279 0.000 2.364 419 Q HA 0.206 4.546 4.340 -0.000 0.000 0.209 419 Q C 1.097 177.105 176.000 0.014 0.000 0.977 419 Q CA 0.891 56.650 55.803 -0.073 0.000 0.885 419 Q CB 0.015 28.672 28.738 -0.134 0.000 0.941 419 Q HN 0.797 nan 8.270 nan 0.000 0.464 420 G N -0.983 107.826 108.800 0.014 0.000 2.357 420 G HA2 0.196 4.155 3.960 -0.000 0.000 0.289 420 G HA3 0.196 4.155 3.960 -0.000 0.000 0.289 420 G C -0.466 174.452 174.900 0.031 0.000 1.302 420 G CA -0.812 44.306 45.100 0.030 0.000 0.936 420 G HN 0.222 nan 8.290 nan 0.000 0.513 421 G N -1.678 107.141 108.800 0.032 0.000 2.570 421 G HA2 0.582 4.541 3.960 -0.000 0.000 0.276 421 G HA3 0.582 4.541 3.960 -0.000 0.000 0.276 421 G C 1.461 176.388 174.900 0.045 0.000 1.346 421 G CA 1.422 46.547 45.100 0.042 0.000 1.034 421 G HN 2.529 nan 8.290 nan 0.000 0.512 422 G N -1.937 106.898 108.800 0.057 0.000 2.143 422 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.249 422 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.249 422 G C 0.657 175.599 174.900 0.070 0.000 0.981 422 G CA 0.914 46.069 45.100 0.092 0.000 0.665 422 G HN 1.351 nan 8.290 nan 0.000 0.528 423 S N -1.100 114.619 115.700 0.033 0.000 2.592 423 S HA 0.631 5.101 4.470 -0.000 0.000 0.271 423 S C 1.138 175.664 174.600 -0.124 0.000 1.326 423 S CA 0.197 58.396 58.200 -0.003 0.000 1.024 423 S CB 1.175 64.396 63.200 0.035 0.000 0.921 423 S HN 0.522 nan 8.310 nan 0.000 0.527 424 L N 2.738 123.829 121.223 -0.219 0.000 2.713 424 L HA 0.592 4.931 4.340 -0.000 0.000 0.223 424 L C -1.041 175.351 176.870 -0.797 0.000 1.040 424 L CA 0.778 55.195 54.840 -0.705 0.000 0.894 424 L CB 0.224 41.828 42.059 -0.758 0.000 1.361 424 L HN 0.676 nan 8.230 nan 0.000 0.490 425 F N -0.414 119.605 119.950 0.115 0.000 2.561 425 F HA 0.482 5.009 4.527 -0.001 0.000 0.313 425 F C -0.293 175.580 175.800 0.122 0.000 1.126 425 F CA -0.804 57.273 58.000 0.128 0.000 0.918 425 F CB 1.751 40.810 39.000 0.098 0.000 1.199 425 F HN -0.304 nan 8.300 nan 0.000 0.444 426 I N 3.011 123.738 120.570 0.261 0.000 2.525 426 I HA 0.665 4.835 4.170 -0.000 0.000 0.301 426 I C -1.084 175.184 176.117 0.252 0.000 0.992 426 I CA -0.645 60.785 61.300 0.216 0.000 1.162 426 I CB 1.655 39.708 38.000 0.089 0.000 1.332 426 I HN 0.649 nan 8.210 nan 0.000 0.458 427 K N 3.366 123.963 120.400 0.328 0.000 2.551 427 K HA 0.666 4.985 4.320 -0.000 0.000 0.269 427 K C -1.105 175.799 176.600 0.506 0.000 0.949 427 K CA -0.429 56.087 56.287 0.381 0.000 0.849 427 K CB 2.117 34.830 32.500 0.355 0.000 1.411 427 K HN 0.688 nan 8.250 nan 0.000 0.432 428 T N -0.076 114.740 114.554 0.436 0.000 2.658 428 T HA 0.418 4.768 4.350 -0.000 0.000 0.305 428 T C -2.256 172.377 174.700 -0.111 0.000 1.551 428 T CA -0.477 61.812 62.100 0.315 0.000 0.985 428 T CB 0.680 69.695 68.868 0.244 0.000 1.731 428 T HN 0.583 nan 8.240 nan 0.000 0.486 429 H N -0.158 118.712 119.070 -0.333 0.000 3.064 429 H HA 0.346 4.901 4.556 -0.000 0.000 0.352 429 H C -2.462 172.794 175.328 -0.121 0.000 1.260 429 H CA -1.243 54.562 56.048 -0.404 0.000 1.160 429 H CB 2.324 31.504 29.762 -0.970 0.000 1.879 429 H HN 0.352 nan 8.280 nan 0.000 0.544 430 P HA -0.120 nan 4.420 nan 0.000 0.216 430 P C 0.927 178.282 177.300 0.091 0.000 1.150 430 P CA 1.592 64.636 63.100 -0.092 0.000 0.843 430 P CB 0.343 31.923 31.700 -0.200 0.000 0.787 431 K N -1.031 119.559 120.400 0.318 0.000 2.418 431 K HA 0.101 4.421 4.320 -0.000 0.000 0.195 431 K C 1.106 177.828 176.600 0.203 0.000 1.035 431 K CA 0.297 56.737 56.287 0.256 0.000 1.003 431 K CB -0.051 32.613 32.500 0.273 0.000 0.793 431 K HN 0.106 nan 8.250 nan 0.000 0.494 432 S N 0.739 116.577 115.700 0.230 0.000 2.646 432 S HA 0.139 4.609 4.470 -0.000 0.000 0.276 432 S C 0.750 175.419 174.600 0.115 0.000 1.222 432 S CA -0.639 57.701 58.200 0.234 0.000 1.014 432 S CB 1.250 64.708 63.200 0.430 0.000 0.991 432 S HN 0.231 nan 8.310 nan 0.000 0.533 433 S N 1.748 117.449 115.700 0.001 0.000 2.650 433 S HA 0.359 4.829 4.470 -0.000 0.000 0.240 433 S C -0.236 174.205 174.600 -0.265 0.000 1.007 433 S CA -0.452 57.658 58.200 -0.151 0.000 0.984 433 S CB -0.392 62.682 63.200 -0.211 0.000 0.910 433 S HN 0.784 nan 8.310 nan 0.000 0.509 434 H N 0.263 119.396 119.070 0.105 0.000 2.670 434 H HA 0.739 5.295 4.556 -0.001 0.000 0.361 434 H C -1.239 174.117 175.328 0.047 0.000 1.169 434 H CA -0.915 55.140 56.048 0.012 0.000 1.198 434 H CB 1.781 31.499 29.762 -0.073 0.000 1.700 434 H HN 0.196 nan 8.280 nan 0.000 0.542 435 L N 2.896 124.174 121.223 0.093 0.000 2.406 435 L HA 0.350 4.690 4.340 -0.000 0.000 0.270 435 L C -1.816 175.179 176.870 0.208 0.000 0.982 435 L CA -0.460 54.478 54.840 0.164 0.000 0.843 435 L CB 0.249 42.302 42.059 -0.009 0.000 1.225 435 L HN 0.513 nan 8.230 nan 0.000 0.412 436 Y N 3.817 124.314 120.300 0.330 0.000 2.387 436 Y HA 0.749 5.298 4.550 -0.000 0.000 0.330 436 Y C -0.115 175.955 175.900 0.283 0.000 1.133 436 Y CA -0.966 57.322 58.100 0.314 0.000 1.152 436 Y CB 1.828 40.489 38.460 0.335 0.000 1.215 436 Y HN 0.258 nan 8.280 nan 0.000 0.466 437 V N 2.905 123.059 119.914 0.399 0.000 2.612 437 V HA 0.254 4.373 4.120 -0.000 0.000 0.301 437 V C -0.872 175.348 176.094 0.210 0.000 1.059 437 V CA -1.064 61.404 62.300 0.279 0.000 0.886 437 V CB 1.544 33.507 31.823 0.233 0.000 1.007 437 V HN 0.836 nan 8.190 nan 0.000 0.426 438 D N 2.514 123.046 120.400 0.221 0.000 2.432 438 D HA 0.537 5.177 4.640 -0.000 0.000 0.258 438 D C 0.434 176.780 176.300 0.077 0.000 1.146 438 D CA -0.305 53.794 54.000 0.165 0.000 1.015 438 D CB 1.669 42.615 40.800 0.244 0.000 1.107 438 D HN 0.612 nan 8.370 nan 0.000 0.529 439 T N -4.201 110.371 114.554 0.030 0.000 3.866 439 T HA 0.219 4.569 4.350 -0.000 0.000 0.241 439 T C 0.803 175.485 174.700 -0.030 0.000 1.017 439 T CA -0.521 61.579 62.100 0.001 0.000 1.300 439 T CB -0.645 68.213 68.868 -0.016 0.000 0.968 439 T HN 0.285 nan 8.240 nan 0.000 0.595 440 T N 1.372 115.892 114.554 -0.056 0.000 2.649 440 T HA -0.138 4.211 4.350 -0.000 0.000 0.268 440 T C 0.618 175.096 174.700 -0.369 0.000 1.036 440 T CA 1.766 63.737 62.100 -0.214 0.000 1.157 440 T CB -0.471 68.229 68.868 -0.280 0.000 0.861 440 T HN 0.543 nan 8.240 nan 0.000 0.445 441 F N 1.430 121.381 119.950 0.001 0.000 2.660 441 F HA 0.327 4.853 4.527 -0.001 0.000 0.297 441 F C 1.053 176.831 175.800 -0.037 0.000 1.132 441 F CA -1.113 56.873 58.000 -0.024 0.000 1.372 441 F CB -0.414 38.571 39.000 -0.026 0.000 1.003 441 F HN 0.055 nan 8.300 nan 0.000 0.524 442 N N 3.207 121.949 118.700 0.070 0.000 2.475 442 N HA 0.022 4.761 4.740 -0.000 0.000 0.267 442 N C -1.443 174.078 175.510 0.018 0.000 1.169 442 N CA -1.018 52.053 53.050 0.035 0.000 0.947 442 N CB 1.326 39.814 38.487 0.002 0.000 1.061 442 N HN -0.006 nan 8.380 nan 0.000 0.466 443 P HA -0.098 nan 4.420 nan 0.000 0.225 443 P C -0.128 177.161 177.300 -0.019 0.000 1.148 443 P CA 0.805 63.904 63.100 -0.002 0.000 0.779 443 P CB 0.213 31.908 31.700 -0.008 0.000 0.780 444 D N -0.608 119.780 120.400 -0.021 0.000 2.264 444 D HA 0.347 4.987 4.640 -0.000 0.000 0.250 444 D C 1.382 177.657 176.300 -0.042 0.000 1.113 444 D CA -0.247 53.735 54.000 -0.030 0.000 0.871 444 D CB 1.141 41.925 40.800 -0.026 0.000 1.167 444 D HN -0.122 nan 8.370 nan 0.000 0.447 445 A N 4.779 127.570 122.820 -0.048 0.000 1.902 445 A HA -0.171 4.148 4.320 -0.000 0.000 0.217 445 A C 2.122 179.664 177.584 -0.069 0.000 1.181 445 A CA 1.216 53.216 52.037 -0.061 0.000 0.623 445 A CB -0.378 18.588 19.000 -0.058 0.000 0.818 445 A HN 0.713 nan 8.150 nan 0.000 0.443 446 R N -0.454 120.008 120.500 -0.064 0.000 2.081 446 R HA -0.057 4.282 4.340 -0.000 0.000 0.235 446 R C 1.968 178.218 176.300 -0.084 0.000 1.131 446 R CA 1.658 57.712 56.100 -0.076 0.000 0.960 446 R CB -0.340 29.921 30.300 -0.066 0.000 0.856 446 R HN 0.574 nan 8.270 nan 0.000 0.436 447 I N 0.542 121.072 120.570 -0.066 0.000 2.252 447 I HA -0.242 3.927 4.170 -0.000 0.000 0.245 447 I C 2.285 178.357 176.117 -0.075 0.000 1.102 447 I CA 1.498 62.759 61.300 -0.065 0.000 1.385 447 I CB -0.236 37.739 38.000 -0.041 0.000 1.064 447 I HN 0.281 nan 8.210 nan 0.000 0.414 448 S N -0.022 115.635 115.700 -0.070 0.000 2.507 448 S HA -0.157 4.313 4.470 -0.000 0.000 0.235 448 S C 1.586 176.132 174.600 -0.090 0.000 0.988 448 S CA 0.693 58.846 58.200 -0.079 0.000 0.944 448 S CB -0.293 62.854 63.200 -0.088 0.000 0.762 448 S HN 0.539 nan 8.310 nan 0.000 0.526 449 Q N 1.251 120.990 119.800 -0.101 0.000 2.247 449 Q HA 0.280 4.620 4.340 -0.000 0.000 0.204 449 Q C 0.038 175.943 176.000 -0.159 0.000 0.872 449 Q CA -0.042 55.693 55.803 -0.114 0.000 0.951 449 Q CB 0.742 29.412 28.738 -0.113 0.000 1.099 449 Q HN 0.719 nan 8.270 nan 0.000 0.501 450 S N -0.806 114.799 115.700 -0.159 0.000 2.627 450 S HA 0.752 5.221 4.470 -0.000 0.000 0.283 450 S C -0.490 174.007 174.600 -0.172 0.000 1.127 450 S CA -0.902 57.168 58.200 -0.217 0.000 0.863 450 S CB 1.985 65.055 63.200 -0.217 0.000 1.121 450 S HN 0.071 nan 8.310 nan 0.000 0.479 451 V N -1.408 118.382 119.914 -0.207 0.000 2.769 451 V HA 0.995 5.115 4.120 -0.000 0.000 0.312 451 V C -0.015 176.009 176.094 -0.117 0.000 1.061 451 V CA -0.879 61.362 62.300 -0.098 0.000 0.931 451 V CB 0.987 32.811 31.823 0.002 0.000 1.010 451 V HN 1.481 nan 8.190 nan 0.000 0.433 452 A N 3.331 126.071 122.820 -0.133 0.000 2.310 452 A HA 0.861 5.181 4.320 -0.000 0.000 0.299 452 A C -0.402 177.082 177.584 -0.167 0.000 1.147 452 A CA -0.576 51.275 52.037 -0.310 0.000 0.818 452 A CB 1.189 19.734 19.000 -0.759 0.000 1.096 452 A HN 1.553 nan 8.150 nan 0.000 0.495 453 V N 1.849 121.606 119.914 -0.262 0.000 2.588 453 V HA 0.546 4.666 4.120 -0.000 0.000 0.304 453 V C -1.030 174.902 176.094 -0.270 0.000 1.042 453 V CA -0.359 61.769 62.300 -0.286 0.000 0.877 453 V CB 1.152 32.734 31.823 -0.402 0.000 0.996 453 V HN 0.737 nan 8.190 nan 0.000 0.425 454 F N 1.353 121.269 119.950 -0.057 0.000 2.507 454 F HA 0.549 5.076 4.527 -0.000 0.000 0.327 454 F C 0.263 176.078 175.800 0.025 0.000 1.068 454 F CA -0.717 57.295 58.000 0.020 0.000 0.965 454 F CB 1.427 40.435 39.000 0.013 0.000 1.192 454 F HN 0.438 nan 8.300 nan 0.000 0.476 455 D N 2.091 122.622 120.400 0.217 0.000 2.359 455 D HA 0.248 4.888 4.640 -0.000 0.000 0.230 455 D C 0.799 177.107 176.300 0.014 0.000 1.118 455 D CA 0.053 54.116 54.000 0.104 0.000 0.844 455 D CB 0.945 41.791 40.800 0.075 0.000 1.059 455 D HN 0.484 nan 8.370 nan 0.000 0.493 456 L N 3.164 124.333 121.223 -0.090 0.000 2.275 456 L HA -0.080 4.260 4.340 -0.000 0.000 0.215 456 L C 1.941 178.740 176.870 -0.119 0.000 1.119 456 L CA 0.851 55.583 54.840 -0.180 0.000 0.790 456 L CB -0.089 41.810 42.059 -0.266 0.000 0.919 456 L HN 0.315 nan 8.230 nan 0.000 0.443 457 K N -0.220 120.127 120.400 -0.087 0.000 2.487 457 K HA -0.005 4.315 4.320 -0.000 0.000 0.192 457 K C 0.215 176.789 176.600 -0.044 0.000 1.027 457 K CA 0.181 56.429 56.287 -0.064 0.000 1.054 457 K CB 0.049 32.515 32.500 -0.058 0.000 0.824 457 K HN 0.074 nan 8.250 nan 0.000 0.510 458 N N 0.561 119.244 118.700 -0.028 0.000 2.884 458 N HA 0.094 4.833 4.740 -0.000 0.000 0.211 458 N C -0.160 175.369 175.510 0.032 0.000 1.442 458 N CA -0.066 52.983 53.050 -0.003 0.000 0.757 458 N CB 0.131 38.623 38.487 0.008 0.000 1.461 458 N HN -0.077 nan 8.380 nan 0.000 0.557 459 L N -0.229 121.008 121.223 0.023 0.000 2.633 459 L HA 0.045 4.385 4.340 -0.000 0.000 0.235 459 L C 0.846 177.789 176.870 0.122 0.000 1.163 459 L CA 0.627 55.517 54.840 0.082 0.000 0.859 459 L CB 0.090 42.185 42.059 0.061 0.000 0.973 459 L HN 0.334 nan 8.230 nan 0.000 0.451 460 D N 0.494 120.945 120.400 0.086 0.000 2.249 460 D HA 0.057 4.696 4.640 -0.000 0.000 0.205 460 D C 1.149 177.498 176.300 0.081 0.000 0.962 460 D CA 0.386 54.437 54.000 0.085 0.000 0.860 460 D CB 0.247 41.079 40.800 0.054 0.000 0.955 460 D HN 0.232 nan 8.370 nan 0.000 0.505 461 A N 1.256 124.121 122.820 0.073 0.000 2.425 461 A HA 0.119 4.439 4.320 -0.000 0.000 0.249 461 A C 0.677 178.295 177.584 0.057 0.000 1.084 461 A CA -0.207 51.856 52.037 0.043 0.000 0.781 461 A CB 0.511 19.527 19.000 0.028 0.000 1.019 461 A HN -0.037 nan 8.150 nan 0.000 0.490 462 K N 0.987 121.364 120.400 -0.039 0.000 2.230 462 K HA 0.224 4.544 4.320 -0.000 0.000 0.253 462 K C -0.213 176.226 176.600 -0.268 0.000 1.008 462 K CA -0.129 56.060 56.287 -0.163 0.000 0.910 462 K CB 0.152 32.463 32.500 -0.314 0.000 0.994 462 K HN 0.694 nan 8.250 nan 0.000 0.495 463 Y N -0.211 119.877 120.300 -0.353 0.000 2.296 463 Y HA 0.183 4.733 4.550 -0.000 0.000 0.343 463 Y C -0.097 175.595 175.900 -0.348 0.000 1.292 463 Y CA -0.709 57.013 58.100 -0.631 0.000 1.490 463 Y CB 0.266 37.968 38.460 -1.264 0.000 1.359 463 Y HN 0.420 nan 8.280 nan 0.000 0.599 464 Q N 0.608 120.365 119.800 -0.072 0.000 2.266 464 Q HA 0.620 4.959 4.340 -0.000 0.000 0.261 464 Q C -1.443 174.571 176.000 0.023 0.000 0.985 464 Q CA -1.234 54.538 55.803 -0.051 0.000 0.873 464 Q CB 2.592 31.284 28.738 -0.077 0.000 1.306 464 Q HN 0.629 nan 8.270 nan 0.000 0.447 465 V N 3.342 123.252 119.914 -0.006 0.000 2.370 465 V HA 0.248 4.367 4.120 -0.000 0.000 0.283 465 V C -0.698 175.286 176.094 -0.183 0.000 1.023 465 V CA -0.681 61.583 62.300 -0.060 0.000 0.857 465 V CB 1.035 32.840 31.823 -0.030 0.000 0.985 465 V HN 0.540 nan 8.190 nan 0.000 0.443 466 L N 8.644 129.707 121.223 -0.265 0.000 2.257 466 L HA 0.456 4.796 4.340 -0.000 0.000 0.290 466 L C -1.888 174.553 176.870 -0.715 0.000 1.044 466 L CA -1.806 52.734 54.840 -0.500 0.000 0.810 466 L CB 1.515 43.347 42.059 -0.378 0.000 1.193 466 L HN 0.433 nan 8.230 nan 0.000 0.425 467 P HA 0.089 nan 4.420 nan 0.000 0.237 467 P C 0.948 177.637 177.300 -1.018 0.000 1.788 467 P CA -0.221 62.360 63.100 -0.865 0.000 1.061 467 P CB 0.269 31.498 31.700 -0.784 0.000 1.967 468 I N 2.230 122.388 120.570 -0.686 0.000 2.076 468 I HA -0.251 3.919 4.170 -0.000 0.000 0.237 468 I C 2.444 178.450 176.117 -0.184 0.000 1.059 468 I CA 1.819 62.880 61.300 -0.399 0.000 1.317 468 I CB -2.002 35.750 38.000 -0.413 0.000 1.037 468 I HN 0.173 nan 8.210 nan 0.000 0.398 469 A N 0.139 122.854 122.820 -0.174 0.000 1.978 469 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 469 A C 2.368 179.910 177.584 -0.071 0.000 1.170 469 A CA 2.018 54.001 52.037 -0.090 0.000 0.636 469 A CB -0.774 18.172 19.000 -0.090 0.000 0.810 469 A HN 0.593 nan 8.150 nan 0.000 0.448 470 E N -1.373 118.745 120.200 -0.137 0.000 2.106 470 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 470 E C 1.641 178.269 176.600 0.046 0.000 0.984 470 E CA 1.015 57.361 56.400 -0.090 0.000 0.806 470 E CB -0.185 29.410 29.700 -0.176 0.000 0.750 470 E HN 0.783 nan 8.360 nan 0.000 0.458 471 W N 0.441 121.690 121.300 -0.085 0.000 2.465 471 W HA 0.033 4.693 4.660 -0.001 0.000 0.268 471 W C 2.242 178.713 176.519 -0.080 0.000 1.242 471 W CA 0.936 58.229 57.345 -0.087 0.000 1.248 471 W CB -0.756 28.639 29.460 -0.109 0.000 1.118 471 W HN 0.205 nan 8.180 nan 0.000 0.587 472 A N -0.083 122.822 122.820 0.141 0.000 1.968 472 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 472 A C 0.684 178.290 177.584 0.037 0.000 1.169 472 A CA 1.365 53.438 52.037 0.060 0.000 0.638 472 A CB -0.672 18.348 19.000 0.034 0.000 0.812 472 A HN 0.163 nan 8.150 nan 0.000 0.446 473 D N -1.868 118.554 120.400 0.037 0.000 3.133 473 D HA -0.129 4.510 4.640 -0.000 0.000 0.239 473 D C 0.149 176.454 176.300 0.009 0.000 1.136 473 D CA 0.801 54.813 54.000 0.020 0.000 0.898 473 D CB -1.450 39.364 40.800 0.023 0.000 0.959 473 D HN 0.383 nan 8.370 nan 0.000 0.415 474 L N 0.651 121.876 121.223 0.003 0.000 2.537 474 L HA 0.511 4.851 4.340 -0.000 0.000 0.224 474 L C 2.064 178.933 176.870 -0.002 0.000 1.065 474 L CA 0.349 55.190 54.840 0.002 0.000 0.860 474 L CB 0.014 42.076 42.059 0.004 0.000 1.086 474 L HN 0.638 nan 8.230 nan 0.000 0.482 475 G N 1.041 109.837 108.800 -0.007 0.000 2.501 475 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.213 475 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.213 475 G C -0.493 174.398 174.900 -0.015 0.000 1.158 475 G CA -0.115 44.979 45.100 -0.009 0.000 1.079 475 G HN 0.328 nan 8.290 nan 0.000 0.586 476 E N 0.536 120.727 120.200 -0.014 0.000 2.391 476 E HA 0.523 4.872 4.350 -0.000 0.000 0.255 476 E C 0.482 177.067 176.600 -0.024 0.000 1.187 476 E CA -0.163 56.226 56.400 -0.019 0.000 0.941 476 E CB 1.100 30.790 29.700 -0.016 0.000 1.010 476 E HN 2.474 nan 8.360 nan 0.000 0.458 477 G N -0.733 108.048 108.800 -0.033 0.000 2.525 477 G HA2 0.135 4.094 3.960 -0.000 0.000 0.685 477 G HA3 0.135 4.094 3.960 -0.000 0.000 0.685 477 G C 0.242 175.104 174.900 -0.063 0.000 1.285 477 G CA -0.250 44.823 45.100 -0.045 0.000 0.849 477 G HN 0.749 nan 8.290 nan 0.000 0.653 478 A N 0.600 123.367 122.820 -0.089 0.000 2.019 478 A HA 0.232 4.552 4.320 -0.000 0.000 0.219 478 A C 1.652 179.170 177.584 -0.111 0.000 1.164 478 A CA 2.167 54.138 52.037 -0.110 0.000 0.644 478 A CB -0.603 18.305 19.000 -0.153 0.000 0.805 478 A HN 1.753 nan 8.150 nan 0.000 0.449 479 K N -0.487 119.853 120.400 -0.099 0.000 3.177 479 K HA -0.198 4.122 4.320 -0.000 0.000 0.266 479 K C -0.665 175.893 176.600 -0.070 0.000 0.937 479 K CA 0.641 56.888 56.287 -0.067 0.000 0.702 479 K CB -1.266 31.205 32.500 -0.049 0.000 1.365 479 K HN 0.635 nan 8.250 nan 0.000 0.466 480 R N 0.559 120.990 120.500 -0.116 0.000 2.484 480 R HA 0.121 4.460 4.340 -0.000 0.000 0.293 480 R C 0.456 176.774 176.300 0.030 0.000 1.023 480 R CA -0.219 55.818 56.100 -0.105 0.000 1.037 480 R CB 0.619 30.764 30.300 -0.259 0.000 0.951 480 R HN -0.030 nan 8.270 nan 0.000 0.418 481 V N 4.243 124.168 119.914 0.017 0.000 2.644 481 V HA 0.401 4.521 4.120 -0.000 0.000 0.295 481 V C -0.019 176.158 176.094 0.137 0.000 1.053 481 V CA -0.293 62.056 62.300 0.081 0.000 0.987 481 V CB 1.729 33.562 31.823 0.016 0.000 1.006 481 V HN 0.516 nan 8.190 nan 0.000 0.472 482 V N 4.890 124.919 119.914 0.191 0.000 3.000 482 V HA 0.483 4.602 4.120 -0.000 0.000 0.300 482 V C -0.619 175.546 176.094 0.119 0.000 1.251 482 V CA -0.340 62.083 62.300 0.205 0.000 0.972 482 V CB 1.815 33.756 31.823 0.196 0.000 1.065 482 V HN 1.078 nan 8.190 nan 0.000 0.431 483 Q N 4.674 124.570 119.800 0.159 0.000 2.474 483 Q HA -0.101 4.239 4.340 -0.000 0.000 0.282 483 Q C -2.519 173.352 176.000 -0.214 0.000 1.323 483 Q CA 0.372 56.056 55.803 -0.198 0.000 0.820 483 Q CB -0.188 28.060 28.738 -0.817 0.000 0.914 483 Q HN 0.604 nan 8.270 nan 0.000 0.304 484 P HA 0.152 nan 4.420 nan 0.000 0.269 484 P C -0.778 176.298 177.300 -0.373 0.000 1.215 484 P CA 0.413 63.167 63.100 -0.577 0.000 0.780 484 P CB 0.867 32.328 31.700 -0.398 0.000 0.898 485 E N 1.387 121.346 120.200 -0.402 0.000 2.415 485 E HA 0.288 4.637 4.350 -0.000 0.000 0.302 485 E C -1.562 175.046 176.600 0.012 0.000 0.907 485 E CA -0.498 55.842 56.400 -0.100 0.000 0.798 485 E CB 0.182 29.809 29.700 -0.121 0.000 1.315 485 E HN 0.172 nan 8.360 nan 0.000 0.396 486 Y N 2.329 122.631 120.300 0.004 0.000 2.258 486 Y HA 0.278 4.828 4.550 -0.000 0.000 0.345 486 Y C 1.373 177.312 175.900 0.066 0.000 1.303 486 Y CA 0.137 58.273 58.100 0.060 0.000 1.537 486 Y CB 0.556 39.044 38.460 0.047 0.000 1.383 486 Y HN 0.625 nan 8.280 nan 0.000 0.606 487 N N 0.183 119.057 118.700 0.289 0.000 2.502 487 N HA 0.147 4.887 4.740 -0.000 0.000 0.280 487 N C 0.599 176.168 175.510 0.098 0.000 1.223 487 N CA -0.693 52.476 53.050 0.199 0.000 0.966 487 N CB 0.952 39.649 38.487 0.350 0.000 1.203 487 N HN 0.569 nan 8.380 nan 0.000 0.565 488 K N 0.221 120.646 120.400 0.042 0.000 2.089 488 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 488 K C 1.609 178.213 176.600 0.005 0.000 1.048 488 K CA 1.646 57.940 56.287 0.012 0.000 0.926 488 K CB -0.088 32.352 32.500 -0.100 0.000 0.714 488 K HN 0.741 nan 8.250 nan 0.000 0.448 489 R N -0.460 120.042 120.500 0.002 0.000 2.313 489 R HA 0.003 4.343 4.340 -0.000 0.000 0.199 489 R C 0.939 177.201 176.300 -0.062 0.000 0.958 489 R CA 0.979 57.077 56.100 -0.003 0.000 1.047 489 R CB -0.188 30.120 30.300 0.014 0.000 0.955 489 R HN 0.276 nan 8.270 nan 0.000 0.481 490 G N 2.303 110.985 108.800 -0.196 0.000 2.203 490 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.263 490 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.263 490 G C 0.103 175.056 174.900 0.088 0.000 1.012 490 G CA 0.744 45.618 45.100 -0.376 0.000 0.749 490 G HN 0.744 nan 8.290 nan 0.000 0.512 491 D N -0.344 120.124 120.400 0.113 0.000 2.360 491 D HA 0.153 4.793 4.640 -0.000 0.000 0.210 491 D C 0.829 177.207 176.300 0.129 0.000 1.047 491 D CA 0.869 54.951 54.000 0.137 0.000 0.854 491 D CB 0.092 40.951 40.800 0.098 0.000 0.936 491 D HN 0.753 nan 8.370 nan 0.000 0.514 492 E N -0.293 119.985 120.200 0.130 0.000 2.343 492 E HA 0.606 4.955 4.350 -0.000 0.000 0.270 492 E C -1.183 175.398 176.600 -0.032 0.000 0.895 492 E CA -1.291 55.159 56.400 0.084 0.000 0.767 492 E CB 2.788 32.586 29.700 0.164 0.000 1.248 492 E HN -0.183 nan 8.360 nan 0.000 0.440 493 V N 1.567 121.375 119.914 -0.176 0.000 2.531 493 V HA 0.341 4.461 4.120 -0.000 0.000 0.301 493 V C -1.208 174.734 176.094 -0.253 0.000 1.034 493 V CA -0.842 61.165 62.300 -0.488 0.000 0.865 493 V CB 0.691 31.891 31.823 -1.038 0.000 0.995 493 V HN 0.629 nan 8.190 nan 0.000 0.424 494 W N 3.921 124.856 121.300 -0.608 0.000 2.512 494 W HA 0.820 5.480 4.660 -0.000 0.000 0.335 494 W C -0.648 175.436 176.519 -0.725 0.000 1.088 494 W CA -1.035 56.036 57.345 -0.456 0.000 1.236 494 W CB 0.925 30.168 29.460 -0.361 0.000 1.307 494 W HN 0.338 nan 8.180 nan 0.000 0.567 495 F N 0.660 120.634 119.950 0.041 0.000 2.588 495 F HA 0.472 4.999 4.527 -0.000 0.000 0.310 495 F C 0.156 175.960 175.800 0.006 0.000 1.082 495 F CA -1.196 56.804 58.000 0.000 0.000 0.929 495 F CB 1.724 40.713 39.000 -0.018 0.000 1.254 495 F HN -0.044 nan 8.300 nan 0.000 0.455 496 S N 1.308 117.111 115.700 0.170 0.000 2.442 496 S HA 0.515 4.985 4.470 -0.000 0.000 0.297 496 S C -0.553 174.133 174.600 0.143 0.000 1.131 496 S CA -0.677 57.587 58.200 0.108 0.000 1.092 496 S CB 1.403 64.611 63.200 0.014 0.000 0.998 496 S HN 0.347 nan 8.310 nan 0.000 0.478 497 V N 4.723 124.712 119.914 0.125 0.000 2.258 497 V HA 0.129 4.249 4.120 -0.000 0.000 0.258 497 V C -0.378 175.826 176.094 0.184 0.000 1.121 497 V CA -0.671 61.701 62.300 0.120 0.000 0.942 497 V CB -0.456 31.407 31.823 0.067 0.000 1.170 497 V HN 0.912 nan 8.190 nan 0.000 0.487 498 W N 5.865 127.154 121.300 -0.018 0.000 2.518 498 W HA 0.242 4.902 4.660 -0.000 0.000 0.439 498 W C 0.143 176.649 176.519 -0.022 0.000 1.075 498 W CA -0.515 56.817 57.345 -0.022 0.000 1.646 498 W CB -0.536 28.900 29.460 -0.039 0.000 1.721 498 W HN 0.455 nan 8.180 nan 0.000 0.386 499 N N 2.191 120.995 118.700 0.174 0.000 2.483 499 N HA 0.578 5.318 4.740 -0.000 0.000 0.285 499 N C 0.463 175.996 175.510 0.038 0.000 1.210 499 N CA -0.112 52.950 53.050 0.019 0.000 0.931 499 N CB 1.161 39.665 38.487 0.028 0.000 1.220 499 N HN 0.349 nan 8.380 nan 0.000 0.542 500 G N 0.071 108.860 108.800 -0.018 0.000 2.720 500 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.237 500 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.237 500 G C 0.939 175.881 174.900 0.070 0.000 1.239 500 G CA 0.129 45.237 45.100 0.014 0.000 0.847 500 G HN 0.781 nan 8.290 nan 0.000 0.593 501 K N -0.747 119.705 120.400 0.085 0.000 2.148 501 K HA -0.039 4.281 4.320 -0.000 0.000 0.204 501 K C 1.561 178.202 176.600 0.068 0.000 1.050 501 K CA 1.695 58.039 56.287 0.095 0.000 0.942 501 K CB -0.114 32.454 32.500 0.113 0.000 0.724 501 K HN 0.532 nan 8.250 nan 0.000 0.446 502 N N 0.531 119.262 118.700 0.051 0.000 2.299 502 N HA 0.020 4.760 4.740 -0.000 0.000 0.187 502 N C -0.482 175.046 175.510 0.030 0.000 1.099 502 N CA -0.243 52.830 53.050 0.038 0.000 0.867 502 N CB 0.361 38.867 38.487 0.031 0.000 0.974 502 N HN 0.203 nan 8.380 nan 0.000 0.477 503 D N -0.309 120.108 120.400 0.029 0.000 2.511 503 D HA 0.225 4.865 4.640 -0.000 0.000 0.276 503 D C -0.252 176.066 176.300 0.029 0.000 1.220 503 D CA -0.052 53.961 54.000 0.021 0.000 1.077 503 D CB 0.859 41.664 40.800 0.009 0.000 1.126 503 D HN -0.233 nan 8.370 nan 0.000 0.583 504 S N -0.697 115.017 115.700 0.024 0.000 2.475 504 S HA 0.560 5.030 4.470 -0.000 0.000 0.298 504 S C -0.540 174.081 174.600 0.036 0.000 1.119 504 S CA -0.441 57.775 58.200 0.028 0.000 1.085 504 S CB 0.787 63.998 63.200 0.018 0.000 1.028 504 S HN 0.301 nan 8.310 nan 0.000 0.489 505 S N 1.524 117.251 115.700 0.046 0.000 2.715 505 S HA 1.000 5.470 4.470 -0.000 0.000 0.307 505 S C -0.725 173.901 174.600 0.044 0.000 1.119 505 S CA -0.645 57.590 58.200 0.059 0.000 0.937 505 S CB 1.804 65.059 63.200 0.092 0.000 1.150 505 S HN 1.000 nan 8.310 nan 0.000 0.521 506 A N 0.537 123.385 122.820 0.047 0.000 2.586 506 A HA 0.719 5.039 4.320 -0.000 0.000 0.290 506 A C -2.248 175.354 177.584 0.030 0.000 1.086 506 A CA -0.701 51.352 52.037 0.025 0.000 0.665 506 A CB 0.712 19.718 19.000 0.009 0.000 1.279 506 A HN 0.626 nan 8.150 nan 0.000 0.423 507 L N 1.209 122.430 121.223 -0.004 0.000 2.319 507 L HA 0.549 4.889 4.340 -0.000 0.000 0.281 507 L C -0.875 175.934 176.870 -0.101 0.000 1.005 507 L CA -0.959 53.874 54.840 -0.011 0.000 0.828 507 L CB 1.645 43.705 42.059 0.001 0.000 1.227 507 L HN 0.454 nan 8.230 nan 0.000 0.415 508 V N 4.424 124.324 119.914 -0.023 0.000 2.407 508 V HA 0.382 4.502 4.120 -0.000 0.000 0.278 508 V C 0.209 176.239 176.094 -0.106 0.000 1.037 508 V CA -0.560 61.716 62.300 -0.041 0.000 0.900 508 V CB 2.000 33.871 31.823 0.080 0.000 0.983 508 V HN 0.414 nan 8.190 nan 0.000 0.459 509 V N 5.538 125.253 119.914 -0.332 0.000 2.547 509 V HA 0.601 4.721 4.120 -0.000 0.000 0.299 509 V C -0.166 175.809 176.094 -0.199 0.000 1.040 509 V CA -0.550 61.455 62.300 -0.492 0.000 0.913 509 V CB 1.989 33.276 31.823 -0.893 0.000 0.992 509 V HN 0.599 nan 8.190 nan 0.000 0.449 510 V N 2.097 121.967 119.914 -0.073 0.000 2.735 510 V HA 0.396 4.516 4.120 -0.000 0.000 0.310 510 V C -0.540 175.548 176.094 -0.010 0.000 1.061 510 V CA -0.715 61.589 62.300 0.006 0.000 0.913 510 V CB 2.176 34.131 31.823 0.220 0.000 1.005 510 V HN 0.912 nan 8.190 nan 0.000 0.428 511 D N 2.410 122.797 120.400 -0.021 0.000 2.338 511 D HA 0.046 4.686 4.640 -0.000 0.000 0.255 511 D C 0.811 177.165 176.300 0.090 0.000 1.237 511 D CA 0.162 54.171 54.000 0.016 0.000 0.883 511 D CB 1.377 42.169 40.800 -0.015 0.000 1.087 511 D HN 0.733 nan 8.370 nan 0.000 0.485 512 D N 3.334 123.818 120.400 0.140 0.000 2.178 512 D HA -0.169 4.471 4.640 -0.000 0.000 0.201 512 D C 1.632 178.131 176.300 0.332 0.000 0.980 512 D CA 1.071 55.236 54.000 0.274 0.000 0.842 512 D CB 0.270 41.269 40.800 0.333 0.000 0.948 512 D HN 0.316 nan 8.370 nan 0.000 0.472 513 K N -0.809 119.726 120.400 0.226 0.000 2.103 513 K HA -0.082 4.238 4.320 -0.000 0.000 0.204 513 K C 1.659 178.374 176.600 0.192 0.000 1.052 513 K CA 1.663 58.076 56.287 0.209 0.000 0.945 513 K CB -0.038 32.538 32.500 0.127 0.000 0.722 513 K HN 0.352 nan 8.250 nan 0.000 0.443 514 T N -2.466 112.162 114.554 0.123 0.000 2.990 514 T HA 0.189 4.539 4.350 -0.000 0.000 0.250 514 T C 0.989 175.721 174.700 0.054 0.000 1.041 514 T CA -0.023 62.124 62.100 0.079 0.000 1.010 514 T CB 0.050 68.936 68.868 0.030 0.000 1.003 514 T HN 0.299 nan 8.240 nan 0.000 0.499 515 L N -0.493 120.758 121.223 0.047 0.000 4.089 515 L HA -0.157 4.182 4.340 -0.000 0.000 0.408 515 L C -0.120 176.788 176.870 0.063 0.000 1.184 515 L CA 0.364 55.228 54.840 0.040 0.000 0.947 515 L CB -1.783 40.256 42.059 -0.032 0.000 2.066 515 L HN 0.305 nan 8.230 nan 0.000 0.851 516 K N 0.434 120.812 120.400 -0.036 0.000 2.156 516 K HA 0.582 4.901 4.320 -0.000 0.000 0.254 516 K C -0.145 176.225 176.600 -0.383 0.000 0.950 516 K CA -0.968 55.200 56.287 -0.199 0.000 0.849 516 K CB 1.936 34.343 32.500 -0.154 0.000 1.100 516 K HN 0.052 nan 8.250 nan 0.000 0.434 517 L N 3.117 123.844 121.223 -0.827 0.000 2.601 517 L HA -0.050 4.290 4.340 -0.000 0.000 0.277 517 L C 0.866 177.472 176.870 -0.440 0.000 1.219 517 L CA 1.211 55.546 54.840 -0.841 0.000 0.915 517 L CB 0.307 41.625 42.059 -1.235 0.000 1.160 517 L HN 0.731 nan 8.230 nan 0.000 0.494 518 K N 3.720 123.928 120.400 -0.319 0.000 2.329 518 K HA 0.507 4.826 4.320 -0.000 0.000 0.198 518 K C 0.011 176.468 176.600 -0.238 0.000 1.085 518 K CA 0.536 56.681 56.287 -0.237 0.000 0.961 518 K CB 0.482 32.870 32.500 -0.186 0.000 0.971 518 K HN 0.776 nan 8.250 nan 0.000 0.502 519 A N -0.015 122.638 122.820 -0.278 0.000 2.599 519 A HA 0.601 4.921 4.320 -0.000 0.000 0.290 519 A C -1.754 175.672 177.584 -0.265 0.000 1.101 519 A CA -0.668 51.209 52.037 -0.266 0.000 0.674 519 A CB 2.002 20.820 19.000 -0.302 0.000 1.277 519 A HN -0.085 nan 8.150 nan 0.000 0.419 520 V N 0.632 120.417 119.914 -0.214 0.000 2.610 520 V HA 0.433 4.553 4.120 -0.000 0.000 0.298 520 V C -0.910 175.097 176.094 -0.145 0.000 1.067 520 V CA -0.514 61.688 62.300 -0.164 0.000 0.894 520 V CB 1.665 33.429 31.823 -0.098 0.000 1.015 520 V HN 0.795 nan 8.190 nan 0.000 0.432 521 V N 5.569 125.393 119.914 -0.149 0.000 2.333 521 V HA 0.486 4.606 4.120 -0.000 0.000 0.274 521 V C 0.083 176.152 176.094 -0.042 0.000 1.028 521 V CA -0.543 61.698 62.300 -0.097 0.000 0.851 521 V CB 1.119 32.880 31.823 -0.102 0.000 1.000 521 V HN 0.806 nan 8.190 nan 0.000 0.456 522 K N 3.588 123.972 120.400 -0.026 0.000 2.318 522 K HA 0.708 5.028 4.320 -0.000 0.000 0.249 522 K C -1.246 175.357 176.600 0.004 0.000 0.942 522 K CA -0.845 55.438 56.287 -0.006 0.000 0.808 522 K CB 2.481 34.976 32.500 -0.008 0.000 1.189 522 K HN 0.669 nan 8.250 nan 0.000 0.428 523 D N 1.801 122.210 120.400 0.015 0.000 2.747 523 D HA 0.062 4.701 4.640 -0.000 0.000 0.218 523 D C -2.181 174.135 176.300 0.026 0.000 1.230 523 D CA -1.195 52.817 54.000 0.020 0.000 0.774 523 D CB 2.023 42.839 40.800 0.025 0.000 1.667 523 D HN 0.208 nan 8.370 nan 0.000 0.499 524 P HA -0.081 nan 4.420 nan 0.000 0.221 524 P C 0.928 178.249 177.300 0.035 0.000 1.145 524 P CA 0.753 63.870 63.100 0.028 0.000 0.795 524 P CB 0.526 32.241 31.700 0.025 0.000 0.775 525 R N -0.817 119.704 120.500 0.036 0.000 2.173 525 R HA 0.112 4.452 4.340 -0.000 0.000 0.208 525 R C 1.207 177.533 176.300 0.044 0.000 1.035 525 R CA -0.152 55.972 56.100 0.040 0.000 1.004 525 R CB -0.603 29.720 30.300 0.039 0.000 0.917 525 R HN 0.108 nan 8.270 nan 0.000 0.462 526 L N 2.528 123.777 121.223 0.043 0.000 2.449 526 L HA 0.128 4.468 4.340 -0.000 0.000 0.266 526 L C -0.534 176.368 176.870 0.054 0.000 1.321 526 L CA 0.615 55.483 54.840 0.046 0.000 1.194 526 L CB -0.277 41.809 42.059 0.043 0.000 1.384 526 L HN 0.038 nan 8.230 nan 0.000 0.438 527 I N 3.296 123.900 120.570 0.057 0.000 2.365 527 I HA 0.138 4.308 4.170 -0.000 0.000 0.291 527 I C 0.850 177.019 176.117 0.087 0.000 1.004 527 I CA -0.399 60.946 61.300 0.074 0.000 1.311 527 I CB 1.158 39.203 38.000 0.074 0.000 1.401 527 I HN 0.676 nan 8.210 nan 0.000 0.491 528 T N 3.863 118.500 114.554 0.140 0.000 3.473 528 T HA -0.101 4.249 4.350 -0.000 0.000 0.403 528 T C -2.219 172.526 174.700 0.074 0.000 0.768 528 T CA -0.723 61.514 62.100 0.229 0.000 2.009 528 T CB -1.947 67.093 68.868 0.286 0.000 1.715 528 T HN 0.405 nan 8.240 nan 0.000 0.666 529 P HA 0.202 nan 4.420 nan 0.000 0.271 529 P C 1.023 178.208 177.300 -0.191 0.000 1.226 529 P CA 0.105 63.177 63.100 -0.046 0.000 0.765 529 P CB 1.475 33.185 31.700 0.016 0.000 0.835 530 T N 1.053 115.414 114.554 -0.322 0.000 2.709 530 T HA 0.353 4.703 4.350 -0.000 0.000 0.174 530 T C 1.036 175.525 174.700 -0.351 0.000 0.774 530 T CA 0.105 61.903 62.100 -0.502 0.000 1.309 530 T CB -0.852 67.542 68.868 -0.789 0.000 2.586 530 T HN 0.325 nan 8.240 nan 0.000 0.401 531 G N 1.870 110.464 108.800 -0.343 0.000 2.432 531 G HA2 0.486 4.446 3.960 -0.000 0.000 0.239 531 G HA3 0.486 4.446 3.960 -0.000 0.000 0.239 531 G C -0.963 173.705 174.900 -0.387 0.000 1.291 531 G CA -0.438 44.417 45.100 -0.409 0.000 0.863 531 G HN 0.648 nan 8.290 nan 0.000 0.560 532 K N 0.768 120.762 120.400 -0.676 0.000 2.443 532 K HA 0.461 4.781 4.320 -0.000 0.000 0.252 532 K C -1.583 174.582 176.600 -0.725 0.000 0.933 532 K CA -0.472 55.584 56.287 -0.384 0.000 0.792 532 K CB 2.290 34.710 32.500 -0.133 0.000 1.185 532 K HN 0.373 nan 8.250 nan 0.000 0.425 533 F N 1.765 121.672 119.950 -0.073 0.000 2.577 533 F HA 0.221 4.748 4.527 -0.000 0.000 0.344 533 F C 0.255 175.858 175.800 -0.328 0.000 1.145 533 F CA -0.978 56.927 58.000 -0.158 0.000 0.996 533 F CB 1.263 40.199 39.000 -0.108 0.000 1.248 533 F HN 0.449 nan 8.300 nan 0.000 0.447 534 N N 2.633 121.051 118.700 -0.470 0.000 2.468 534 N HA 0.036 4.776 4.740 -0.000 0.000 0.265 534 N C 1.124 176.469 175.510 -0.274 0.000 1.199 534 N CA 0.105 52.647 53.050 -0.847 0.000 0.928 534 N CB 1.381 39.258 38.487 -1.018 0.000 1.059 534 N HN 0.463 nan 8.380 nan 0.000 0.467 535 V N 4.929 124.726 119.914 -0.196 0.000 2.233 535 V HA -0.313 3.807 4.120 -0.000 0.000 0.252 535 V C 1.807 177.945 176.094 0.073 0.000 1.063 535 V CA 2.005 64.290 62.300 -0.024 0.000 1.032 535 V CB -1.132 30.700 31.823 0.014 0.000 0.645 535 V HN 0.766 nan 8.190 nan 0.000 0.446 536 Y N 1.574 121.882 120.300 0.013 0.000 2.114 536 Y HA -0.221 4.329 4.550 -0.000 0.000 0.284 536 Y C 2.586 178.605 175.900 0.199 0.000 1.143 536 Y CA 2.148 60.339 58.100 0.153 0.000 1.135 536 Y CB -0.341 38.180 38.460 0.101 0.000 0.980 536 Y HN 0.296 nan 8.280 nan 0.000 0.499 537 N N -0.667 118.195 118.700 0.270 0.000 2.205 537 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 537 N C 1.685 177.310 175.510 0.192 0.000 1.015 537 N CA 1.845 55.035 53.050 0.233 0.000 0.862 537 N CB -0.678 37.942 38.487 0.223 0.000 0.986 537 N HN 0.400 nan 8.380 nan 0.000 0.429 538 T N 0.723 115.361 114.554 0.139 0.000 2.770 538 T HA -0.114 4.236 4.350 -0.000 0.000 0.258 538 T C 1.843 176.590 174.700 0.080 0.000 1.039 538 T CA 0.839 63.028 62.100 0.148 0.000 1.143 538 T CB -0.195 68.740 68.868 0.111 0.000 0.866 538 T HN 0.297 nan 8.240 nan 0.000 0.428 539 Q N 0.362 120.154 119.800 -0.014 0.000 2.112 539 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 539 Q C 1.203 177.043 176.000 -0.268 0.000 0.987 539 Q CA 1.484 57.191 55.803 -0.159 0.000 0.858 539 Q CB -0.081 28.508 28.738 -0.248 0.000 0.905 539 Q HN 0.642 nan 8.270 nan 0.000 0.420 540 H N 0.087 119.092 119.070 -0.107 0.000 2.505 540 H HA 0.102 4.658 4.556 -0.000 0.000 0.289 540 H C -0.607 174.749 175.328 0.047 0.000 1.052 540 H CA 0.297 56.291 56.048 -0.090 0.000 1.156 540 H CB 0.290 29.832 29.762 -0.366 0.000 1.507 540 H HN 0.379 nan 8.280 nan 0.000 0.548 541 D N 0.718 121.223 120.400 0.175 0.000 2.704 541 D HA -0.155 4.485 4.640 -0.000 0.000 0.232 541 D C -0.403 175.840 176.300 -0.096 0.000 1.183 541 D CA 0.292 54.377 54.000 0.141 0.000 0.647 541 D CB -1.153 39.647 40.800 0.001 0.000 1.013 541 D HN 0.134 nan 8.370 nan 0.000 0.415 542 V N 1.531 121.493 119.914 0.082 0.000 2.313 542 V HA 0.383 4.503 4.120 -0.000 0.000 0.252 542 V C 0.084 176.249 176.094 0.118 0.000 1.112 542 V CA -0.063 62.248 62.300 0.017 0.000 0.984 542 V CB -0.920 30.947 31.823 0.074 0.000 1.157 542 V HN 0.332 nan 8.190 nan 0.000 0.493 543 Y N 0.000 120.398 120.300 0.164 0.000 2.660 543 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 543 Y CA 0.000 58.199 58.100 0.166 0.000 1.940 543 Y CB 0.000 38.592 38.460 0.220 0.000 1.050 543 Y HN 0.000 nan 8.280 nan 0.000 0.758