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_A 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 0.000 177.684 177.584 0.167 0.000 1.274 7 A CA 0.000 52.091 52.037 0.091 0.000 0.836 7 A CB 0.000 19.030 19.000 0.050 0.000 0.831 8 E N 0.240 120.497 120.200 0.095 0.000 2.076 8 E HA -0.109 4.127 4.350 -0.189 0.000 0.190 8 E C 1.347 177.990 176.600 0.071 0.000 0.979 8 E CA 1.078 57.520 56.400 0.071 0.000 0.807 8 E CB -0.050 29.674 29.700 0.039 0.000 0.761 8 E HN 0.497 nan 8.360 nan 0.000 0.454 9 Q N -0.226 119.622 119.800 0.080 0.000 2.389 9 Q HA -0.084 4.143 4.340 -0.189 0.000 0.204 9 Q C 1.702 177.762 176.000 0.100 0.000 0.944 9 Q CA 0.648 56.492 55.803 0.067 0.000 0.908 9 Q CB -0.138 28.632 28.738 0.054 0.000 1.002 9 Q HN 0.440 nan 8.270 nan 0.000 0.493 10 Y N 1.354 121.650 120.300 -0.007 0.000 2.243 10 Y HA -0.051 4.385 4.550 -0.189 0.000 0.293 10 Y C 1.182 177.077 175.900 -0.008 0.000 1.124 10 Y CA 1.320 59.416 58.100 -0.008 0.000 1.159 10 Y CB 0.241 38.697 38.460 -0.007 0.000 1.008 10 Y HN 0.010 nan 8.280 nan 0.000 0.527 11 Q N 0.065 119.771 119.800 -0.157 0.000 2.211 11 Q HA 0.236 4.463 4.340 -0.189 0.000 0.231 11 Q C 1.188 177.125 176.000 -0.106 0.000 0.865 11 Q CA 0.236 55.893 55.803 -0.242 0.000 0.997 11 Q CB 0.505 29.159 28.738 -0.140 0.000 1.101 11 Q HN 0.591 nan 8.270 nan 0.000 0.468 12 G N -0.418 108.342 108.800 -0.068 0.000 3.088 12 G HA2 0.349 4.195 3.960 -0.189 0.000 0.217 12 G HA3 0.349 4.195 3.960 -0.189 0.000 0.217 12 G C 0.356 175.231 174.900 -0.041 0.000 1.159 12 G CA 0.050 45.129 45.100 -0.035 0.000 0.760 12 G HN 0.355 nan 8.290 nan 0.000 0.550 13 A N 0.292 123.075 122.820 -0.062 0.000 2.286 13 A HA 0.792 4.999 4.320 -0.189 0.000 0.286 13 A C 0.787 178.340 177.584 -0.051 0.000 1.097 13 A CA 0.146 52.153 52.037 -0.051 0.000 0.821 13 A CB 0.549 19.515 19.000 -0.057 0.000 1.076 13 A HN 0.874 nan 8.150 nan 0.000 0.490 14 A N 0.987 123.783 122.820 -0.040 0.000 2.483 14 A HA 0.458 4.664 4.320 -0.189 0.000 0.238 14 A C 0.884 178.442 177.584 -0.042 0.000 1.070 14 A CA 0.562 52.577 52.037 -0.038 0.000 0.770 14 A CB -0.169 18.812 19.000 -0.032 0.000 1.008 14 A HN 1.351 nan 8.150 nan 0.000 0.497 15 S N 0.659 116.335 115.700 -0.040 0.000 2.564 15 S HA 0.370 4.727 4.470 -0.189 0.000 0.278 15 S C 1.338 175.917 174.600 -0.034 0.000 1.333 15 S CA -0.047 58.130 58.200 -0.039 0.000 1.048 15 S CB 0.716 63.895 63.200 -0.035 0.000 0.900 15 S HN 1.406 nan 8.310 nan 0.000 0.505 16 A N 4.745 127.547 122.820 -0.032 0.000 2.121 16 A HA 0.143 4.350 4.320 -0.189 0.000 0.218 16 A C 0.815 178.387 177.584 -0.019 0.000 1.154 16 A CA 0.437 52.459 52.037 -0.025 0.000 0.679 16 A CB -0.451 18.535 19.000 -0.022 0.000 0.795 16 A HN 0.688 nan 8.150 nan 0.000 0.458 17 V N 2.015 121.918 119.914 -0.018 0.000 2.540 17 V HA 0.024 4.031 4.120 -0.189 0.000 0.297 17 V C 0.119 176.198 176.094 -0.024 0.000 1.024 17 V CA -0.198 62.096 62.300 -0.009 0.000 1.105 17 V CB 0.683 32.501 31.823 -0.008 0.000 0.938 17 V HN 0.443 nan 8.190 nan 0.000 0.482 18 D N 6.926 127.307 120.400 -0.031 0.000 2.343 18 D HA 0.211 4.737 4.640 -0.189 0.000 0.255 18 D C -1.410 174.832 176.300 -0.097 0.000 1.187 18 D CA -1.972 51.963 54.000 -0.107 0.000 0.875 18 D CB 1.842 42.494 40.800 -0.246 0.000 1.136 18 D HN 0.219 nan 8.370 nan 0.000 0.469 19 P HA -0.158 nan 4.420 nan 0.000 0.216 19 P C 1.016 178.280 177.300 -0.060 0.000 1.153 19 P CA 1.751 64.817 63.100 -0.056 0.000 0.858 19 P CB 0.118 31.786 31.700 -0.053 0.000 0.789 20 A N -0.584 122.160 122.820 -0.127 0.000 1.986 20 A HA -0.253 3.954 4.320 -0.189 0.000 0.220 20 A C 1.760 179.342 177.584 -0.003 0.000 1.171 20 A CA 1.812 53.776 52.037 -0.120 0.000 0.640 20 A CB -1.544 17.320 19.000 -0.227 0.000 0.811 20 A HN 0.280 nan 8.150 nan 0.000 0.451 21 H N -1.424 117.640 119.070 -0.010 0.000 2.539 21 H HA 0.252 4.694 4.556 -0.189 0.000 0.269 21 H C -0.107 175.215 175.328 -0.010 0.000 0.980 21 H CA -0.004 56.038 56.048 -0.010 0.000 1.152 21 H CB -0.308 29.448 29.762 -0.010 0.000 1.407 21 H HN 0.200 nan 8.280 nan 0.000 0.564 22 V N 3.382 123.352 119.914 0.093 0.000 2.368 22 V HA 0.126 4.132 4.120 -0.189 0.000 0.266 22 V C 0.524 176.639 176.094 0.036 0.000 1.045 22 V CA -0.817 61.512 62.300 0.049 0.000 0.899 22 V CB 1.058 32.895 31.823 0.023 0.000 1.006 22 V HN 0.075 nan 8.190 nan 0.000 0.470 23 V N 3.355 123.287 119.914 0.031 0.000 2.481 23 V HA 0.603 4.610 4.120 -0.189 0.000 0.286 23 V C 0.213 176.314 176.094 0.011 0.000 1.042 23 V CA -0.893 61.419 62.300 0.021 0.000 0.928 23 V CB 1.244 33.078 31.823 0.018 0.000 0.986 23 V HN 0.882 nan 8.190 nan 0.000 0.462 24 R N 2.933 123.437 120.500 0.007 0.000 2.539 24 R HA 0.468 4.695 4.340 -0.189 0.000 0.275 24 R C -0.421 175.879 176.300 0.001 0.000 1.077 24 R CA -0.169 55.932 56.100 0.003 0.000 1.097 24 R CB 0.949 31.249 30.300 0.001 0.000 1.018 24 R HN 0.931 nan 8.270 nan 0.000 0.483 25 T N 3.914 118.468 114.554 0.000 0.000 2.756 25 T HA 0.418 4.654 4.350 -0.189 0.000 0.290 25 T C -0.667 174.034 174.700 0.002 0.000 0.985 25 T CA -0.684 61.415 62.100 -0.002 0.000 0.955 25 T CB 0.818 69.685 68.868 -0.001 0.000 0.930 25 T HN 0.609 nan 8.240 nan 0.000 0.451 26 N N 0.475 119.171 118.700 -0.007 0.000 3.467 26 N HA 0.449 5.076 4.740 -0.189 0.000 0.280 26 N C 0.096 175.587 175.510 -0.031 0.000 1.352 26 N CA 0.513 53.558 53.050 -0.009 0.000 0.801 26 N CB 0.795 39.288 38.487 0.009 0.000 1.627 26 N HN 0.852 nan 8.380 nan 0.000 0.397 27 G N -0.919 107.859 108.800 -0.037 0.000 2.145 27 G HA2 0.262 4.109 3.960 -0.189 0.000 0.145 27 G HA3 0.262 4.109 3.960 -0.189 0.000 0.145 27 G C -0.125 174.723 174.900 -0.086 0.000 1.017 27 G CA 0.437 45.510 45.100 -0.045 0.000 0.682 27 G HN 0.866 nan 8.290 nan 0.000 0.504 28 A N 0.333 123.069 122.820 -0.139 0.000 2.302 28 A HA 0.846 5.052 4.320 -0.189 0.000 0.285 28 A C -1.884 175.581 177.584 -0.198 0.000 1.105 28 A CA -1.310 50.539 52.037 -0.313 0.000 0.816 28 A CB 0.467 18.982 19.000 -0.807 0.000 1.067 28 A HN 0.132 nan 8.150 nan 0.000 0.489 29 P HA 0.152 nan 4.420 nan 0.000 0.267 29 P C -0.931 176.430 177.300 0.101 0.000 1.205 29 P CA -0.077 63.010 63.100 -0.022 0.000 0.765 29 P CB 0.339 32.036 31.700 -0.005 0.000 0.828 30 D N 3.957 124.421 120.400 0.108 0.000 2.458 30 D HA 0.159 4.685 4.640 -0.189 0.000 0.243 30 D C 0.503 176.895 176.300 0.154 0.000 1.146 30 D CA 0.808 54.893 54.000 0.142 0.000 0.877 30 D CB 0.177 41.023 40.800 0.077 0.000 1.176 30 D HN 0.351 nan 8.370 nan 0.000 0.461 31 M N -0.664 119.039 119.600 0.172 0.000 2.324 31 M HA 0.364 4.731 4.480 -0.189 0.000 0.288 31 M C -0.148 176.209 176.300 0.096 0.000 1.097 31 M CA -0.996 54.397 55.300 0.156 0.000 0.928 31 M CB 2.051 34.803 32.600 0.253 0.000 1.648 31 M HN 0.181 nan 8.290 nan 0.000 0.460 32 S N 0.911 116.657 115.700 0.077 0.000 2.598 32 S HA 0.082 4.438 4.470 -0.189 0.000 0.256 32 S C 0.768 175.410 174.600 0.070 0.000 1.350 32 S CA 0.408 58.637 58.200 0.048 0.000 0.984 32 S CB 1.032 64.257 63.200 0.040 0.000 0.930 32 S HN 0.954 nan 8.310 nan 0.000 0.577 33 E N 0.356 120.579 120.200 0.039 0.000 2.077 33 E HA -0.176 4.061 4.350 -0.189 0.000 0.193 33 E C 2.239 178.901 176.600 0.102 0.000 0.989 33 E CA 1.394 57.828 56.400 0.057 0.000 0.800 33 E CB -0.342 29.370 29.700 0.020 0.000 0.746 33 E HN 0.794 nan 8.360 nan 0.000 0.452 34 S N 0.240 115.980 115.700 0.067 0.000 2.368 34 S HA -0.200 4.157 4.470 -0.189 0.000 0.225 34 S C 1.757 176.393 174.600 0.060 0.000 1.030 34 S CA 1.482 59.714 58.200 0.054 0.000 0.999 34 S CB -0.258 62.961 63.200 0.032 0.000 0.844 34 S HN 0.304 nan 8.310 nan 0.000 0.459 35 E N -0.180 120.067 120.200 0.078 0.000 2.047 35 E HA -0.082 4.154 4.350 -0.189 0.000 0.191 35 E C 1.807 178.464 176.600 0.095 0.000 0.987 35 E CA 1.365 57.810 56.400 0.075 0.000 0.799 35 E CB -0.349 29.405 29.700 0.091 0.000 0.752 35 E HN 0.685 nan 8.360 nan 0.000 0.449 36 F N 2.233 122.192 119.950 0.015 0.000 2.171 36 F HA -0.155 4.258 4.527 -0.189 0.000 0.300 36 F C 1.805 177.605 175.800 -0.000 0.000 1.090 36 F CA 1.197 59.224 58.000 0.045 0.000 1.293 36 F CB 0.076 39.089 39.000 0.022 0.000 1.013 36 F HN -0.066 nan 8.300 nan 0.000 0.486 37 N N 0.292 119.063 118.700 0.118 0.000 2.300 37 N HA -0.157 4.469 4.740 -0.189 0.000 0.179 37 N C 1.856 177.305 175.510 -0.101 0.000 1.016 37 N CA 1.154 54.215 53.050 0.018 0.000 0.876 37 N CB -0.496 38.037 38.487 0.076 0.000 0.979 37 N HN 0.506 nan 8.380 nan 0.000 0.432 38 E N 0.752 120.897 120.200 -0.091 0.000 2.106 38 E HA -0.051 4.185 4.350 -0.189 0.000 0.192 38 E C 1.638 178.109 176.600 -0.216 0.000 0.984 38 E CA 0.852 57.184 56.400 -0.114 0.000 0.806 38 E CB 0.083 29.741 29.700 -0.071 0.000 0.750 38 E HN 0.300 nan 8.360 nan 0.000 0.458 39 A N 1.115 123.737 122.820 -0.330 0.000 1.970 39 A HA -0.118 4.089 4.320 -0.189 0.000 0.216 39 A C 2.053 179.088 177.584 -0.914 0.000 1.170 39 A CA 1.184 52.891 52.037 -0.550 0.000 0.645 39 A CB -0.265 18.412 19.000 -0.539 0.000 0.816 39 A HN 0.111 nan 8.150 nan 0.000 0.447 40 K N -0.516 119.343 120.400 -0.901 0.000 2.057 40 K HA -0.167 4.040 4.320 -0.189 0.000 0.206 40 K C 2.273 178.775 176.600 -0.162 0.000 1.050 40 K CA 1.490 57.371 56.287 -0.677 0.000 0.935 40 K CB -0.150 32.148 32.500 -0.338 0.000 0.715 40 K HN 0.615 nan 8.250 nan 0.000 0.439 41 Q N 0.557 120.270 119.800 -0.146 0.000 2.079 41 Q HA -0.132 4.095 4.340 -0.189 0.000 0.200 41 Q C 2.018 177.976 176.000 -0.070 0.000 0.974 41 Q CA 1.401 57.178 55.803 -0.043 0.000 0.840 41 Q CB 0.009 28.712 28.738 -0.058 0.000 0.898 41 Q HN 0.369 nan 8.270 nan 0.000 0.430 42 I N -0.205 120.259 120.570 -0.176 0.000 2.252 42 I HA -0.275 3.782 4.170 -0.189 0.000 0.245 42 I C 2.141 178.094 176.117 -0.272 0.000 1.102 42 I CA 1.064 62.230 61.300 -0.224 0.000 1.385 42 I CB -0.374 37.462 38.000 -0.274 0.000 1.064 42 I HN 0.310 nan 8.210 nan 0.000 0.414 43 Y N 1.244 121.294 120.300 -0.417 0.000 2.128 43 Y HA -0.294 4.142 4.550 -0.189 0.000 0.284 43 Y C 2.130 177.767 175.900 -0.438 0.000 1.154 43 Y CA 1.834 59.654 58.100 -0.467 0.000 1.149 43 Y CB -0.350 37.778 38.460 -0.553 0.000 0.976 43 Y HN -0.010 nan 8.280 nan 0.000 0.505 44 F N -0.104 119.818 119.950 -0.047 0.000 2.456 44 F HA -0.081 4.332 4.527 -0.189 0.000 0.298 44 F C 2.314 178.059 175.800 -0.092 0.000 1.104 44 F CA 1.097 59.066 58.000 -0.051 0.000 1.435 44 F CB -0.321 38.700 39.000 0.035 0.000 1.078 44 F HN 0.109 nan 8.300 nan 0.000 0.546 45 Q N -0.431 119.368 119.800 -0.002 0.000 2.212 45 Q HA 0.015 4.241 4.340 -0.189 0.000 0.199 45 Q C 1.870 177.829 176.000 -0.068 0.000 0.950 45 Q CA 0.799 56.595 55.803 -0.012 0.000 0.863 45 Q CB 0.197 28.919 28.738 -0.027 0.000 0.944 45 Q HN 0.364 nan 8.270 nan 0.000 0.465 46 R N -1.469 118.900 120.500 -0.219 0.000 2.310 46 R HA 0.177 4.403 4.340 -0.189 0.000 0.199 46 R C 1.872 177.984 176.300 -0.315 0.000 0.891 46 R CA 0.574 56.505 56.100 -0.282 0.000 1.060 46 R CB 0.291 30.213 30.300 -0.630 0.000 1.188 46 R HN 0.217 nan 8.270 nan 0.000 0.607 47 C N 0.447 119.421 119.300 -0.543 0.000 2.487 47 C HA 0.367 4.713 4.460 -0.189 0.000 0.311 47 C C 2.769 177.433 174.990 -0.544 0.000 1.367 47 C CA 0.282 58.944 59.018 -0.592 0.000 1.865 47 C CB -0.357 26.772 27.740 -1.019 0.000 2.277 47 C HN 0.468 nan 8.230 nan 0.000 0.521 48 A N 1.951 124.292 122.820 -0.799 0.000 1.940 48 A HA -0.111 4.096 4.320 -0.189 0.000 0.221 48 A C 2.342 179.899 177.584 -0.045 0.000 1.190 48 A CA 2.554 54.361 52.037 -0.384 0.000 0.647 48 A CB -1.492 17.395 19.000 -0.189 0.000 0.821 48 A HN 0.605 nan 8.150 nan 0.000 0.457 49 G N -1.475 107.324 108.800 -0.001 0.000 2.469 49 G HA2 -0.301 3.545 3.960 -0.189 0.000 0.219 49 G HA3 -0.301 3.545 3.960 -0.189 0.000 0.219 49 G C 1.560 176.496 174.900 0.061 0.000 1.150 49 G CA 1.472 46.623 45.100 0.085 0.000 0.763 49 G HN 0.572 nan 8.290 nan 0.000 0.561 50 C N -1.125 118.188 119.300 0.023 0.000 2.524 50 C HA 0.242 4.589 4.460 -0.189 0.000 0.284 50 C C 2.224 177.152 174.990 -0.103 0.000 1.346 50 C CA 0.171 59.159 59.018 -0.050 0.000 1.739 50 C CB -0.695 26.990 27.740 -0.091 0.000 2.119 50 C HN 0.513 nan 8.230 nan 0.000 0.501 51 H N 0.533 119.601 119.070 -0.003 0.000 2.539 51 H HA 0.259 4.701 4.556 -0.189 0.000 0.267 51 H C 1.404 176.795 175.328 0.105 0.000 0.982 51 H CA 1.055 57.137 56.048 0.057 0.000 1.146 51 H CB -0.051 29.753 29.762 0.070 0.000 1.382 51 H HN 0.583 nan 8.280 nan 0.000 0.577 52 G N 0.226 109.131 108.800 0.175 0.000 2.758 52 G HA2 -0.256 3.591 3.960 -0.189 0.000 0.686 52 G HA3 -0.256 3.591 3.960 -0.189 0.000 0.686 52 G C 0.844 175.860 174.900 0.192 0.000 1.389 52 G CA -0.158 45.044 45.100 0.170 0.000 0.845 52 G HN 0.108 nan 8.290 nan 0.000 0.572 53 V N 0.861 120.858 119.914 0.138 0.000 2.323 53 V HA -0.058 3.949 4.120 -0.189 0.000 0.244 53 V C 2.773 178.850 176.094 -0.028 0.000 1.041 53 V CA 2.374 64.726 62.300 0.086 0.000 1.025 53 V CB -0.598 31.103 31.823 -0.202 0.000 0.656 53 V HN 0.545 nan 8.190 nan 0.000 0.451 54 L N -0.679 120.507 121.223 -0.062 0.000 2.591 54 L HA 0.197 4.424 4.340 -0.189 0.000 0.228 54 L C 1.202 178.051 176.870 -0.036 0.000 1.133 54 L CA 0.240 55.044 54.840 -0.060 0.000 0.880 54 L CB -0.284 41.770 42.059 -0.008 0.000 1.033 54 L HN 0.320 nan 8.230 nan 0.000 0.450 55 R N -0.897 119.621 120.500 0.031 0.000 3.878 55 R HA -0.169 4.058 4.340 -0.189 0.000 0.330 55 R C 0.683 177.021 176.300 0.065 0.000 1.186 55 R CA 0.389 56.538 56.100 0.081 0.000 0.885 55 R CB -1.606 28.684 30.300 -0.016 0.000 1.377 55 R HN 0.259 nan 8.270 nan 0.000 0.523 56 K N 1.135 121.548 120.400 0.022 0.000 2.505 56 K HA 0.080 4.286 4.320 -0.189 0.000 0.192 56 K C 0.906 177.535 176.600 0.049 0.000 1.025 56 K CA 1.002 57.269 56.287 -0.034 0.000 1.086 56 K CB 0.582 32.954 32.500 -0.213 0.000 0.840 56 K HN 0.544 nan 8.250 nan 0.000 0.514 57 G N 0.253 109.134 108.800 0.136 0.000 2.895 57 G HA2 -0.022 3.825 3.960 -0.189 0.000 0.686 57 G HA3 -0.022 3.825 3.960 -0.189 0.000 0.686 57 G C -0.222 174.822 174.900 0.240 0.000 1.108 57 G CA -0.338 44.863 45.100 0.168 0.000 0.761 57 G HN 0.321 nan 8.290 nan 0.000 0.611 58 A N 1.336 124.260 122.820 0.174 0.000 2.446 58 A HA 0.857 5.063 4.320 -0.189 0.000 0.199 58 A C 1.989 179.651 177.584 0.130 0.000 1.677 58 A CA 1.384 53.592 52.037 0.285 0.000 1.600 58 A CB -0.505 18.594 19.000 0.165 0.000 1.583 58 A HN 1.411 nan 8.150 nan 0.000 0.551 59 T N 1.046 115.526 114.554 -0.123 0.000 2.812 59 T HA 0.174 4.411 4.350 -0.189 0.000 0.264 59 T C 1.138 175.670 174.700 -0.280 0.000 1.042 59 T CA 1.173 63.058 62.100 -0.358 0.000 1.140 59 T CB -0.569 68.135 68.868 -0.272 0.000 0.870 59 T HN 0.778 nan 8.240 nan 0.000 0.445 60 G N 1.149 109.751 108.800 -0.330 0.000 2.539 60 G HA2 0.407 4.254 3.960 -0.189 0.000 0.258 60 G HA3 0.407 4.254 3.960 -0.189 0.000 0.258 60 G C -0.261 174.471 174.900 -0.280 0.000 1.202 60 G CA -0.583 44.167 45.100 -0.583 0.000 0.851 60 G HN 0.232 nan 8.290 nan 0.000 0.556 61 K N 0.834 121.169 120.400 -0.109 0.000 2.180 61 K HA 0.183 4.389 4.320 -0.189 0.000 0.251 61 K C -2.172 174.550 176.600 0.204 0.000 1.014 61 K CA -1.142 55.202 56.287 0.096 0.000 0.913 61 K CB 0.705 33.293 32.500 0.146 0.000 1.008 61 K HN 0.234 nan 8.250 nan 0.000 0.490 62 P HA 0.041 nan 4.420 nan 0.000 0.271 62 P C -0.334 177.040 177.300 0.124 0.000 1.226 62 P CA 0.393 63.568 63.100 0.126 0.000 0.765 62 P CB 0.334 32.074 31.700 0.067 0.000 0.835 63 L N 2.188 123.479 121.223 0.113 0.000 3.062 63 L HA 0.150 4.376 4.340 -0.189 0.000 0.255 63 L C 0.738 177.592 176.870 -0.026 0.000 1.274 63 L CA -0.143 54.722 54.840 0.041 0.000 1.047 63 L CB -0.287 41.782 42.059 0.016 0.000 1.402 63 L HN 0.347 nan 8.230 nan 0.000 0.550 64 T N -3.686 110.855 114.554 -0.020 0.000 2.913 64 T HA 0.199 4.435 4.350 -0.189 0.000 0.297 64 T C -1.720 172.948 174.700 -0.053 0.000 1.029 64 T CA -1.558 60.514 62.100 -0.047 0.000 1.104 64 T CB 1.329 70.177 68.868 -0.032 0.000 0.964 64 T HN -0.115 nan 8.240 nan 0.000 0.532 65 P HA -0.258 nan 4.420 nan 0.000 0.218 65 P C 1.493 178.759 177.300 -0.057 0.000 1.154 65 P CA 1.598 64.656 63.100 -0.071 0.000 0.872 65 P CB -0.017 31.643 31.700 -0.067 0.000 0.790 66 D N -0.654 119.720 120.400 -0.044 0.000 2.116 66 D HA -0.192 4.335 4.640 -0.189 0.000 0.193 66 D C 1.802 178.075 176.300 -0.045 0.000 0.998 66 D CA 1.507 55.484 54.000 -0.039 0.000 0.836 66 D CB -1.136 39.647 40.800 -0.029 0.000 0.951 66 D HN 0.173 nan 8.370 nan 0.000 0.449 67 I N 1.131 121.675 120.570 -0.043 0.000 2.235 67 I HA -0.177 3.879 4.170 -0.189 0.000 0.241 67 I C 2.785 178.862 176.117 -0.067 0.000 1.085 67 I CA 1.690 62.959 61.300 -0.051 0.000 1.378 67 I CB -0.690 37.291 38.000 -0.031 0.000 1.076 67 I HN 0.228 nan 8.210 nan 0.000 0.415 68 T N -1.572 112.949 114.554 -0.055 0.000 2.720 68 T HA -0.264 3.972 4.350 -0.189 0.000 0.268 68 T C 1.810 176.476 174.700 -0.057 0.000 1.037 68 T CA 1.447 63.516 62.100 -0.051 0.000 1.144 68 T CB -0.634 68.204 68.868 -0.049 0.000 0.864 68 T HN 0.392 nan 8.240 nan 0.000 0.444 69 Q N 0.539 120.301 119.800 -0.064 0.000 2.167 69 Q HA -0.095 4.131 4.340 -0.189 0.000 0.202 69 Q C 2.561 178.527 176.000 -0.057 0.000 0.970 69 Q CA 1.272 57.039 55.803 -0.060 0.000 0.855 69 Q CB -0.216 28.484 28.738 -0.064 0.000 0.911 69 Q HN 0.727 nan 8.270 nan 0.000 0.438 70 Q N 0.496 120.254 119.800 -0.069 0.000 2.079 70 Q HA -0.167 4.059 4.340 -0.189 0.000 0.200 70 Q C 1.951 177.888 176.000 -0.106 0.000 0.974 70 Q CA 0.955 56.711 55.803 -0.078 0.000 0.840 70 Q CB 0.224 28.912 28.738 -0.084 0.000 0.898 70 Q HN 0.176 nan 8.270 nan 0.000 0.430 71 R N -0.058 120.350 120.500 -0.154 0.000 2.092 71 R HA 0.036 4.262 4.340 -0.189 0.000 0.231 71 R C 0.994 177.264 176.300 -0.050 0.000 1.119 71 R CA 1.060 57.017 56.100 -0.239 0.000 0.970 71 R CB -0.914 29.170 30.300 -0.360 0.000 0.864 71 R HN 0.438 nan 8.270 nan 0.000 0.440 72 G N 0.372 109.163 108.800 -0.016 0.000 2.730 72 G HA2 -0.261 3.586 3.960 -0.189 0.000 0.686 72 G HA3 -0.261 3.586 3.960 -0.189 0.000 0.686 72 G C 0.282 175.219 174.900 0.063 0.000 1.343 72 G CA 0.074 45.188 45.100 0.022 0.000 0.826 72 G HN 0.159 nan 8.290 nan 0.000 0.582 73 Q N -0.099 119.728 119.800 0.045 0.000 2.062 73 Q HA -0.173 4.053 4.340 -0.189 0.000 0.209 73 Q C 2.878 178.923 176.000 0.075 0.000 0.996 73 Q CA 3.136 58.968 55.803 0.049 0.000 0.859 73 Q CB -0.301 28.456 28.738 0.032 0.000 0.920 73 Q HN 0.731 nan 8.270 nan 0.000 0.415 74 Q N -1.325 118.525 119.800 0.084 0.000 2.050 74 Q HA -0.203 4.023 4.340 -0.189 0.000 0.202 74 Q C 2.053 178.122 176.000 0.116 0.000 0.980 74 Q CA 1.688 57.544 55.803 0.088 0.000 0.840 74 Q CB -0.666 28.122 28.738 0.083 0.000 0.898 74 Q HN 0.535 nan 8.270 nan 0.000 0.424 75 Y N 1.848 122.168 120.300 0.034 0.000 2.128 75 Y HA -0.210 4.226 4.550 -0.189 0.000 0.284 75 Y C 2.151 178.079 175.900 0.047 0.000 1.154 75 Y CA 1.316 59.442 58.100 0.043 0.000 1.149 75 Y CB -0.395 38.084 38.460 0.033 0.000 0.976 75 Y HN -0.025 nan 8.280 nan 0.000 0.505 76 L N -0.048 121.362 121.223 0.312 0.000 1.989 76 L HA -0.248 3.979 4.340 -0.189 0.000 0.211 76 L C 2.484 179.402 176.870 0.079 0.000 1.071 76 L CA 1.948 56.909 54.840 0.201 0.000 0.749 76 L CB -0.711 41.429 42.059 0.136 0.000 0.890 76 L HN 0.262 nan 8.230 nan 0.000 0.431 77 E N 0.094 120.325 120.200 0.052 0.000 2.085 77 E HA -0.253 3.983 4.350 -0.189 0.000 0.194 77 E C 2.276 178.859 176.600 -0.029 0.000 0.994 77 E CA 1.291 57.697 56.400 0.008 0.000 0.801 77 E CB -0.167 29.540 29.700 0.010 0.000 0.743 77 E HN 0.521 nan 8.360 nan 0.000 0.453 78 A N 1.387 124.197 122.820 -0.016 0.000 1.858 78 A HA -0.169 4.038 4.320 -0.189 0.000 0.216 78 A C 2.212 179.795 177.584 -0.002 0.000 1.190 78 A CA 1.046 53.089 52.037 0.011 0.000 0.617 78 A CB -0.749 18.272 19.000 0.036 0.000 0.827 78 A HN 0.232 nan 8.150 nan 0.000 0.443 79 L N -0.328 120.844 121.223 -0.085 0.000 2.012 79 L HA -0.180 4.047 4.340 -0.189 0.000 0.210 79 L C 2.421 179.320 176.870 0.049 0.000 1.073 79 L CA 1.652 56.468 54.840 -0.040 0.000 0.748 79 L CB -0.259 41.768 42.059 -0.053 0.000 0.891 79 L HN 0.455 nan 8.230 nan 0.000 0.431 80 I N -1.014 119.590 120.570 0.057 0.000 2.286 80 I HA -0.309 3.748 4.170 -0.189 0.000 0.248 80 I C 2.306 178.480 176.117 0.095 0.000 1.115 80 I CA 1.647 63.026 61.300 0.130 0.000 1.392 80 I CB -0.572 37.467 38.000 0.066 0.000 1.065 80 I HN 0.289 nan 8.210 nan 0.000 0.418 81 T N -0.224 114.267 114.554 -0.106 0.000 2.746 81 T HA -0.173 4.063 4.350 -0.189 0.000 0.267 81 T C 1.392 175.805 174.700 -0.478 0.000 1.039 81 T CA 1.674 63.558 62.100 -0.359 0.000 1.142 81 T CB -0.230 68.228 68.868 -0.683 0.000 0.866 81 T HN 0.319 nan 8.240 nan 0.000 0.444 82 Y N 0.369 120.666 120.300 -0.004 0.000 2.462 82 Y HA 0.452 4.888 4.550 -0.189 0.000 0.253 82 Y C 1.748 177.618 175.900 -0.049 0.000 1.095 82 Y CA -0.236 57.843 58.100 -0.035 0.000 1.283 82 Y CB -0.221 38.212 38.460 -0.046 0.000 1.138 82 Y HN 0.371 nan 8.280 nan 0.000 0.522 83 G N 0.911 109.762 108.800 0.085 0.000 2.598 83 G HA2 -0.081 3.766 3.960 -0.189 0.000 0.244 83 G HA3 -0.081 3.766 3.960 -0.189 0.000 0.244 83 G C -0.130 174.801 174.900 0.052 0.000 1.302 83 G CA -0.041 45.087 45.100 0.046 0.000 0.903 83 G HN 0.657 nan 8.290 nan 0.000 0.575 84 T N -2.990 111.579 114.554 0.025 0.000 2.843 84 T HA 0.766 5.003 4.350 -0.189 0.000 0.302 84 T C -2.091 172.606 174.700 -0.005 0.000 1.232 84 T CA -0.089 62.022 62.100 0.018 0.000 1.009 84 T CB 2.609 71.499 68.868 0.036 0.000 1.254 84 T HN 0.807 nan 8.240 nan 0.000 0.504 85 P HA 0.287 nan 4.420 nan 0.000 0.253 85 P C 0.545 177.832 177.300 -0.021 0.000 1.260 85 P CA 0.022 63.111 63.100 -0.019 0.000 0.800 85 P CB 0.034 31.724 31.700 -0.017 0.000 1.162 86 L N -1.004 120.210 121.223 -0.016 0.000 2.872 86 L HA 0.417 4.643 4.340 -0.189 0.000 0.245 86 L C 1.306 178.152 176.870 -0.040 0.000 1.211 86 L CA 0.391 55.217 54.840 -0.024 0.000 1.013 86 L CB -0.196 41.856 42.059 -0.012 0.000 1.326 86 L HN 0.101 nan 8.230 nan 0.000 0.525 87 G N 0.370 109.143 108.800 -0.044 0.000 2.229 87 G HA2 -0.254 3.593 3.960 -0.189 0.000 0.189 87 G HA3 -0.254 3.593 3.960 -0.189 0.000 0.189 87 G C 0.035 174.909 174.900 -0.042 0.000 1.000 87 G CA -0.183 44.881 45.100 -0.061 0.000 0.663 87 G HN 0.181 nan 8.290 nan 0.000 0.493 88 M N 3.829 123.424 119.600 -0.008 0.000 2.151 88 M HA 0.529 4.896 4.480 -0.189 0.000 0.349 88 M C -2.039 174.242 176.300 -0.032 0.000 1.284 88 M CA -3.225 52.102 55.300 0.046 0.000 1.173 88 M CB 0.565 33.232 32.600 0.112 0.000 1.469 88 M HN 0.040 nan 8.290 nan 0.000 0.439 89 P HA 0.041 nan 4.420 nan 0.000 0.267 89 P C -1.294 175.675 177.300 -0.552 0.000 1.200 89 P CA 0.126 62.971 63.100 -0.424 0.000 0.772 89 P CB -0.126 31.139 31.700 -0.724 0.000 0.855 90 N N 1.056 119.477 118.700 -0.466 0.000 2.555 90 N HA 0.114 4.741 4.740 -0.189 0.000 0.244 90 N C 0.100 175.383 175.510 -0.378 0.000 1.114 90 N CA -0.703 52.166 53.050 -0.301 0.000 0.963 90 N CB -0.117 38.291 38.487 -0.132 0.000 1.276 90 N HN 0.390 nan 8.380 nan 0.000 0.510 91 W N 1.743 123.001 121.300 -0.071 0.000 2.519 91 W HA 0.200 4.746 4.660 -0.189 0.000 0.266 91 W C 1.930 178.390 176.519 -0.100 0.000 1.253 91 W CA 0.296 57.594 57.345 -0.078 0.000 1.274 91 W CB 0.095 29.509 29.460 -0.076 0.000 1.114 91 W HN 0.686 nan 8.180 nan 0.000 0.596 92 G N -0.611 108.191 108.800 0.004 0.000 2.524 92 G HA2 -0.132 3.715 3.960 -0.189 0.000 0.210 92 G HA3 -0.132 3.715 3.960 -0.189 0.000 0.210 92 G C 1.587 176.439 174.900 -0.080 0.000 1.187 92 G CA 0.819 45.870 45.100 -0.082 0.000 0.825 92 G HN 0.092 nan 8.290 nan 0.000 0.558 93 S N 1.423 117.063 115.700 -0.100 0.000 2.374 93 S HA -0.211 4.146 4.470 -0.189 0.000 0.227 93 S C 2.695 177.280 174.600 -0.024 0.000 1.037 93 S CA 2.012 60.204 58.200 -0.014 0.000 1.024 93 S CB -0.399 62.837 63.200 0.059 0.000 0.861 93 S HN 0.616 nan 8.310 nan 0.000 0.456 94 S N 0.494 116.160 115.700 -0.057 0.000 2.453 94 S HA 0.218 4.574 4.470 -0.189 0.000 0.231 94 S C 1.628 176.210 174.600 -0.029 0.000 1.005 94 S CA 0.935 59.097 58.200 -0.063 0.000 0.949 94 S CB -0.492 62.631 63.200 -0.129 0.000 0.774 94 S HN 0.943 nan 8.310 nan 0.000 0.510 95 G N 0.736 109.530 108.800 -0.010 0.000 2.143 95 G HA2 -0.275 3.572 3.960 -0.189 0.000 0.249 95 G HA3 -0.275 3.572 3.960 -0.189 0.000 0.249 95 G C 0.519 175.443 174.900 0.039 0.000 0.981 95 G CA 0.509 45.615 45.100 0.010 0.000 0.665 95 G HN 0.454 nan 8.290 nan 0.000 0.528 96 E N -0.391 119.853 120.200 0.074 0.000 2.072 96 E HA 0.168 4.404 4.350 -0.189 0.000 0.191 96 E C 1.417 178.112 176.600 0.158 0.000 0.985 96 E CA 1.042 57.533 56.400 0.152 0.000 0.801 96 E CB -0.025 29.842 29.700 0.277 0.000 0.750 96 E HN 0.677 nan 8.360 nan 0.000 0.452 97 L N -0.252 121.064 121.223 0.155 0.000 2.354 97 L HA 0.369 4.596 4.340 -0.189 0.000 0.264 97 L C 0.074 176.965 176.870 0.035 0.000 1.008 97 L CA -0.988 53.897 54.840 0.075 0.000 0.819 97 L CB 2.068 44.158 42.059 0.051 0.000 1.339 97 L HN -0.094 nan 8.230 nan 0.000 0.420 98 S N 0.177 115.881 115.700 0.006 0.000 2.632 98 S HA 0.269 4.626 4.470 -0.189 0.000 0.267 98 S C 0.819 175.411 174.600 -0.014 0.000 1.276 98 S CA -0.671 57.527 58.200 -0.004 0.000 0.998 98 S CB 1.553 64.750 63.200 -0.006 0.000 0.953 98 S HN 0.526 nan 8.310 nan 0.000 0.547 99 K N 0.925 121.314 120.400 -0.017 0.000 2.103 99 K HA -0.122 4.085 4.320 -0.189 0.000 0.207 99 K C 1.819 178.409 176.600 -0.017 0.000 1.048 99 K CA 1.750 58.024 56.287 -0.022 0.000 0.930 99 K CB -0.689 31.802 32.500 -0.015 0.000 0.716 99 K HN 0.756 nan 8.250 nan 0.000 0.444 100 E N 0.411 120.603 120.200 -0.013 0.000 2.072 100 E HA -0.137 4.099 4.350 -0.189 0.000 0.191 100 E C 2.166 178.754 176.600 -0.020 0.000 0.985 100 E CA 1.168 57.561 56.400 -0.011 0.000 0.801 100 E CB -0.076 29.619 29.700 -0.008 0.000 0.750 100 E HN 0.356 nan 8.360 nan 0.000 0.452 101 Q N -0.064 119.717 119.800 -0.031 0.000 2.079 101 Q HA -0.044 4.182 4.340 -0.189 0.000 0.200 101 Q C 2.274 178.236 176.000 -0.063 0.000 0.974 101 Q CA 0.993 56.764 55.803 -0.053 0.000 0.840 101 Q CB -0.105 28.595 28.738 -0.063 0.000 0.898 101 Q HN 0.324 nan 8.270 nan 0.000 0.430 102 I N 0.443 120.983 120.570 -0.050 0.000 2.361 102 I HA -0.256 3.800 4.170 -0.189 0.000 0.251 102 I C 2.070 178.170 176.117 -0.029 0.000 1.133 102 I CA 1.043 62.314 61.300 -0.049 0.000 1.413 102 I CB -0.322 37.655 38.000 -0.037 0.000 1.073 102 I HN 0.214 nan 8.210 nan 0.000 0.424 103 T N 1.205 115.749 114.554 -0.017 0.000 2.777 103 T HA -0.105 4.132 4.350 -0.189 0.000 0.266 103 T C 1.987 176.693 174.700 0.011 0.000 1.040 103 T CA 1.127 63.228 62.100 0.001 0.000 1.141 103 T CB -0.240 68.631 68.868 0.005 0.000 0.868 103 T HN 0.248 nan 8.240 nan 0.000 0.444 104 L N 0.352 121.574 121.223 -0.002 0.000 2.046 104 L HA -0.101 4.125 4.340 -0.189 0.000 0.208 104 L C 2.668 179.547 176.870 0.014 0.000 1.077 104 L CA 0.955 55.798 54.840 0.005 0.000 0.747 104 L CB -0.416 41.625 42.059 -0.031 0.000 0.896 104 L HN 0.277 nan 8.230 nan 0.000 0.432 105 M N -0.871 118.713 119.600 -0.027 0.000 2.175 105 M HA -0.117 4.250 4.480 -0.189 0.000 0.264 105 M C 2.532 178.868 176.300 0.060 0.000 1.063 105 M CA 1.741 57.035 55.300 -0.010 0.000 1.119 105 M CB -1.362 31.180 32.600 -0.096 0.000 1.377 105 M HN 0.255 nan 8.290 nan 0.000 0.415 106 A N 0.337 123.177 122.820 0.033 0.000 1.972 106 A HA -0.163 4.043 4.320 -0.189 0.000 0.219 106 A C 2.304 179.914 177.584 0.044 0.000 1.169 106 A CA 1.506 53.566 52.037 0.038 0.000 0.635 106 A CB -0.440 18.579 19.000 0.033 0.000 0.810 106 A HN 0.482 nan 8.150 nan 0.000 0.446 107 K N -1.870 118.571 120.400 0.068 0.000 2.062 107 K HA -0.087 4.119 4.320 -0.189 0.000 0.205 107 K C 1.990 178.673 176.600 0.139 0.000 1.051 107 K CA 1.395 57.730 56.287 0.080 0.000 0.941 107 K CB -0.369 32.202 32.500 0.119 0.000 0.719 107 K HN 0.569 nan 8.250 nan 0.000 0.440 108 Y N 2.737 123.059 120.300 0.038 0.000 2.097 108 Y HA -0.209 4.228 4.550 -0.189 0.000 0.282 108 Y C 1.893 177.786 175.900 -0.012 0.000 1.152 108 Y CA 1.660 59.771 58.100 0.018 0.000 1.136 108 Y CB -0.306 38.052 38.460 -0.170 0.000 0.975 108 Y HN 0.052 nan 8.280 nan 0.000 0.498 109 I N -1.143 119.389 120.570 -0.063 0.000 3.241 109 I HA -0.161 3.895 4.170 -0.189 0.000 0.280 109 I C 1.376 177.395 176.117 -0.163 0.000 1.320 109 I CA 1.223 62.413 61.300 -0.185 0.000 1.413 109 I CB -0.550 37.416 38.000 -0.057 0.000 1.060 109 I HN 0.342 nan 8.210 nan 0.000 0.500 110 Q N -0.091 119.625 119.800 -0.139 0.000 2.360 110 Q HA 0.168 4.395 4.340 -0.189 0.000 0.202 110 Q C -0.161 175.691 176.000 -0.248 0.000 0.915 110 Q CA 0.118 55.815 55.803 -0.175 0.000 0.943 110 Q CB 0.218 28.850 28.738 -0.178 0.000 1.064 110 Q HN 0.672 nan 8.270 nan 0.000 0.511 111 H N -0.812 118.181 119.070 -0.128 0.000 2.544 111 H HA 0.225 4.667 4.556 -0.189 0.000 0.342 111 H C -0.226 175.014 175.328 -0.147 0.000 1.185 111 H CA -0.551 55.441 56.048 -0.093 0.000 1.264 111 H CB 1.307 31.080 29.762 0.018 0.000 1.607 111 H HN -0.131 nan 8.280 nan 0.000 0.550 112 T N 3.865 118.458 114.554 0.065 0.000 2.928 112 T HA 0.061 4.298 4.350 -0.189 0.000 0.305 112 T C -2.245 172.422 174.700 -0.055 0.000 1.035 112 T CA -0.917 61.176 62.100 -0.013 0.000 1.145 112 T CB 0.234 69.104 68.868 0.004 0.000 0.963 112 T HN 0.357 nan 8.240 nan 0.000 0.545 113 P HA 0.220 nan 4.420 nan 0.000 0.267 113 P C -2.306 174.974 177.300 -0.032 0.000 1.205 113 P CA -1.103 61.902 63.100 -0.159 0.000 0.765 113 P CB -0.296 31.308 31.700 -0.160 0.000 0.828 114 P HA 0.075 nan 4.420 nan 0.000 0.269 114 P C -0.484 176.854 177.300 0.064 0.000 1.215 114 P CA 0.061 63.236 63.100 0.126 0.000 0.780 114 P CB 0.425 32.286 31.700 0.268 0.000 0.898 115 Q N 2.786 122.621 119.800 0.058 0.000 2.303 115 Q HA 0.315 4.541 4.340 -0.189 0.000 0.257 115 Q C -1.898 174.133 176.000 0.051 0.000 0.941 115 Q CA -1.505 54.328 55.803 0.051 0.000 0.931 115 Q CB 0.857 29.649 28.738 0.091 0.000 1.215 115 Q HN 0.422 nan 8.270 nan 0.000 0.437 116 P HA 0.340 nan 4.420 nan 0.000 0.279 116 P C -2.503 174.976 177.300 0.298 0.000 1.252 116 P CA -1.306 61.807 63.100 0.021 0.000 0.811 116 P CB 0.220 31.736 31.700 -0.307 0.000 1.035 117 P HA 0.103 nan 4.420 nan 0.000 0.270 117 P C -0.010 177.551 177.300 0.435 0.000 1.223 117 P CA 0.129 63.421 63.100 0.320 0.000 0.785 117 P CB 1.006 32.868 31.700 0.269 0.000 0.923 118 E N 0.176 120.549 120.200 0.289 0.000 2.849 118 E HA 0.262 4.499 4.350 -0.189 0.000 0.257 118 E C -0.643 176.131 176.600 0.290 0.000 1.306 118 E CA -0.076 56.437 56.400 0.189 0.000 1.058 118 E CB 0.760 30.511 29.700 0.085 0.000 1.249 118 E HN 0.604 nan 8.360 nan 0.000 0.638 119 W N 0.461 121.723 121.300 -0.064 0.000 2.320 119 W HA 0.350 4.897 4.660 -0.189 0.000 0.287 119 W C -0.860 175.621 176.519 -0.065 0.000 1.041 119 W CA -0.262 57.057 57.345 -0.043 0.000 1.148 119 W CB 0.740 30.177 29.460 -0.039 0.000 1.046 119 W HN 0.552 nan 8.180 nan 0.000 0.295 120 G N 1.855 110.521 108.800 -0.223 0.000 2.583 120 G HA2 0.315 4.161 3.960 -0.189 0.000 0.280 120 G HA3 0.315 4.161 3.960 -0.189 0.000 0.280 120 G C 0.422 175.162 174.900 -0.266 0.000 1.376 120 G CA -0.435 44.553 45.100 -0.186 0.000 1.043 120 G HN 0.338 nan 8.290 nan 0.000 0.538 121 M N 0.312 119.808 119.600 -0.174 0.000 2.106 121 M HA 0.004 4.370 4.480 -0.189 0.000 0.259 121 M C -0.349 175.845 176.300 -0.177 0.000 1.068 121 M CA 1.805 57.014 55.300 -0.152 0.000 1.100 121 M CB -1.039 31.497 32.600 -0.107 0.000 1.351 121 M HN 0.281 nan 8.290 nan 0.000 0.404 122 P HA -0.155 nan 4.420 nan 0.000 0.214 122 P C 0.998 178.140 177.300 -0.263 0.000 1.163 122 P CA 1.574 64.568 63.100 -0.176 0.000 0.889 122 P CB -0.036 31.569 31.700 -0.159 0.000 0.790 123 E N -1.453 118.452 120.200 -0.491 0.000 2.072 123 E HA -0.126 4.111 4.350 -0.189 0.000 0.191 123 E C 2.087 178.314 176.600 -0.622 0.000 0.985 123 E CA 1.197 57.097 56.400 -0.833 0.000 0.801 123 E CB -0.659 27.947 29.700 -1.824 0.000 0.750 123 E HN 0.194 nan 8.360 nan 0.000 0.452 124 M N 0.061 119.378 119.600 -0.471 0.000 2.065 124 M HA -0.187 4.180 4.480 -0.189 0.000 0.259 124 M C 2.262 178.599 176.300 0.062 0.000 1.071 124 M CA 1.637 56.911 55.300 -0.044 0.000 1.109 124 M CB -0.265 32.325 32.600 -0.017 0.000 1.313 124 M HN 0.028 nan 8.290 nan 0.000 0.408 125 R N -0.154 120.357 120.500 0.018 0.000 2.091 125 R HA -0.210 4.017 4.340 -0.189 0.000 0.238 125 R C 2.063 178.472 176.300 0.183 0.000 1.136 125 R CA 1.721 57.916 56.100 0.157 0.000 0.959 125 R CB -0.539 29.822 30.300 0.101 0.000 0.856 125 R HN 0.339 nan 8.270 nan 0.000 0.437 126 E N 1.149 121.381 120.200 0.055 0.000 2.118 126 E HA -0.164 4.072 4.350 -0.189 0.000 0.195 126 E C 1.748 178.410 176.600 0.103 0.000 0.992 126 E CA 2.047 58.474 56.400 0.044 0.000 0.804 126 E CB -0.070 29.613 29.700 -0.029 0.000 0.741 126 E HN 0.310 nan 8.360 nan 0.000 0.458 127 S N -1.129 114.668 115.700 0.162 0.000 2.527 127 S HA -0.032 4.325 4.470 -0.189 0.000 0.222 127 S C 0.477 175.233 174.600 0.260 0.000 0.985 127 S CA -0.129 58.210 58.200 0.231 0.000 0.921 127 S CB -0.518 62.901 63.200 0.365 0.000 0.772 127 S HN 0.414 nan 8.310 nan 0.000 0.529 128 W N 3.421 124.755 121.300 0.057 0.000 2.253 128 W HA 0.497 5.044 4.660 -0.189 0.000 0.322 128 W C -0.501 176.035 176.519 0.028 0.000 1.342 128 W CA -1.011 56.358 57.345 0.039 0.000 1.218 128 W CB 0.197 29.670 29.460 0.023 0.000 1.205 128 W HN 0.012 nan 8.180 nan 0.000 0.551 129 K N 4.998 125.267 120.400 -0.217 0.000 2.513 129 K HA 0.417 4.624 4.320 -0.189 0.000 0.251 129 K C -1.596 174.782 176.600 -0.371 0.000 0.939 129 K CA -1.024 55.049 56.287 -0.358 0.000 0.793 129 K CB 2.253 34.686 32.500 -0.111 0.000 1.241 129 K HN 0.125 nan 8.250 nan 0.000 0.431 130 V N 5.261 124.902 119.914 -0.454 0.000 2.311 130 V HA 0.172 4.178 4.120 -0.189 0.000 0.275 130 V C 1.098 177.107 176.094 -0.142 0.000 1.022 130 V CA -0.469 61.686 62.300 -0.241 0.000 0.830 130 V CB 0.698 32.365 31.823 -0.261 0.000 1.012 130 V HN 0.758 nan 8.190 nan 0.000 0.452 131 L N 4.233 125.417 121.223 -0.065 0.000 2.095 131 L HA 0.145 4.372 4.340 -0.189 0.000 0.204 131 L C 0.390 177.250 176.870 -0.017 0.000 1.080 131 L CA 1.040 55.859 54.840 -0.035 0.000 0.759 131 L CB 0.038 42.095 42.059 -0.004 0.000 0.914 131 L HN 0.433 nan 8.230 nan 0.000 0.439 132 V N 0.603 120.518 119.914 0.001 0.000 2.488 132 V HA 0.209 4.215 4.120 -0.189 0.000 0.293 132 V C -0.266 175.842 176.094 0.023 0.000 1.027 132 V CA -1.083 61.228 62.300 0.019 0.000 0.862 132 V CB 1.592 33.443 31.823 0.047 0.000 1.008 132 V HN 0.124 nan 8.190 nan 0.000 0.428 133 K N 5.046 125.454 120.400 0.012 0.000 2.380 133 K HA 0.147 4.353 4.320 -0.189 0.000 0.267 133 K C -1.651 174.972 176.600 0.039 0.000 0.990 133 K CA -1.093 55.204 56.287 0.018 0.000 0.946 133 K CB 0.676 33.181 32.500 0.008 0.000 0.937 133 K HN 0.302 nan 8.250 nan 0.000 0.491 134 P HA -0.244 nan 4.420 nan 0.000 0.217 134 P C 0.771 178.105 177.300 0.056 0.000 1.148 134 P CA 1.286 64.418 63.100 0.053 0.000 0.828 134 P CB 0.174 31.895 31.700 0.035 0.000 0.783 135 E N -0.536 119.689 120.200 0.043 0.000 2.152 135 E HA -0.160 4.077 4.350 -0.189 0.000 0.192 135 E C 0.958 177.585 176.600 0.045 0.000 0.983 135 E CA 1.224 57.649 56.400 0.041 0.000 0.818 135 E CB -1.182 28.536 29.700 0.030 0.000 0.758 135 E HN 0.305 nan 8.360 nan 0.000 0.467 136 D N 0.958 121.385 120.400 0.044 0.000 2.347 136 D HA 0.037 4.564 4.640 -0.189 0.000 0.213 136 D C 0.370 176.707 176.300 0.061 0.000 0.985 136 D CA 0.185 54.212 54.000 0.045 0.000 0.879 136 D CB 0.055 40.875 40.800 0.034 0.000 0.919 136 D HN 0.126 nan 8.370 nan 0.000 0.526 137 R N 1.681 122.228 120.500 0.079 0.000 2.539 137 R HA 0.257 4.484 4.340 -0.189 0.000 0.275 137 R C -2.068 174.303 176.300 0.118 0.000 1.077 137 R CA -1.320 54.843 56.100 0.104 0.000 1.097 137 R CB 0.025 30.404 30.300 0.132 0.000 1.018 137 R HN -0.020 nan 8.270 nan 0.000 0.483 138 P HA -0.048 nan 4.420 nan 0.000 0.270 138 P C -0.315 177.118 177.300 0.222 0.000 1.221 138 P CA 0.101 63.295 63.100 0.156 0.000 0.788 138 P CB 0.595 32.397 31.700 0.169 0.000 0.904 139 K N 0.239 120.745 120.400 0.177 0.000 2.354 139 K HA 0.103 4.309 4.320 -0.189 0.000 0.194 139 K C 0.590 177.311 176.600 0.201 0.000 1.038 139 K CA 0.582 56.992 56.287 0.205 0.000 1.052 139 K CB 0.319 32.884 32.500 0.108 0.000 0.861 139 K HN 0.529 nan 8.250 nan 0.000 0.535 140 K N 0.327 120.735 120.400 0.013 0.000 2.466 140 K HA 0.205 4.412 4.320 -0.189 0.000 0.277 140 K C -0.929 175.286 176.600 -0.641 0.000 1.039 140 K CA -0.923 55.067 56.287 -0.496 0.000 0.904 140 K CB 1.052 33.331 32.500 -0.368 0.000 1.506 140 K HN -0.227 nan 8.250 nan 0.000 0.441 141 Q N 1.508 120.648 119.800 -1.100 0.000 2.286 141 Q HA 0.109 4.336 4.340 -0.189 0.000 0.265 141 Q C -0.206 175.609 176.000 -0.307 0.000 1.080 141 Q CA -0.086 55.247 55.803 -0.784 0.000 0.906 141 Q CB 0.270 28.511 28.738 -0.829 0.000 1.227 141 Q HN 0.558 nan 8.270 nan 0.000 0.409 142 L N 3.783 124.929 121.223 -0.129 0.000 2.653 142 L HA 0.144 4.370 4.340 -0.189 0.000 0.232 142 L C -0.277 176.571 176.870 -0.037 0.000 1.169 142 L CA -0.170 54.634 54.840 -0.060 0.000 0.951 142 L CB -0.845 41.211 42.059 -0.005 0.000 1.181 142 L HN 0.615 nan 8.230 nan 0.000 0.460 143 N N -3.268 115.403 118.700 -0.048 0.000 2.774 143 N HA 0.255 4.882 4.740 -0.189 0.000 0.264 143 N C -0.769 174.720 175.510 -0.036 0.000 1.415 143 N CA -0.856 52.181 53.050 -0.022 0.000 0.815 143 N CB 0.668 39.160 38.487 0.009 0.000 1.514 143 N HN -0.219 nan 8.380 nan 0.000 0.523 144 D N -0.152 120.238 120.400 -0.016 0.000 2.491 144 D HA 0.250 4.776 4.640 -0.189 0.000 0.228 144 D C -0.273 176.028 176.300 0.001 0.000 1.183 144 D CA -0.088 53.902 54.000 -0.016 0.000 0.827 144 D CB -0.158 40.636 40.800 -0.009 0.000 0.989 144 D HN 0.367 nan 8.370 nan 0.000 0.494 145 L N 0.480 121.710 121.223 0.011 0.000 2.418 145 L HA 0.180 4.407 4.340 -0.189 0.000 0.265 145 L C 0.781 177.671 176.870 0.033 0.000 1.143 145 L CA -0.399 54.460 54.840 0.032 0.000 0.809 145 L CB 0.805 42.893 42.059 0.048 0.000 1.124 145 L HN -0.185 nan 8.230 nan 0.000 0.456 146 D N 2.128 122.554 120.400 0.044 0.000 2.563 146 D HA 0.154 4.680 4.640 -0.189 0.000 0.222 146 D C 1.193 177.529 176.300 0.061 0.000 1.145 146 D CA -0.048 53.978 54.000 0.045 0.000 1.001 146 D CB 0.328 41.155 40.800 0.045 0.000 1.049 146 D HN 0.386 nan 8.370 nan 0.000 0.515 147 L N 2.343 123.609 121.223 0.072 0.000 2.051 147 L HA -0.162 4.064 4.340 -0.189 0.000 0.214 147 L C -0.507 176.415 176.870 0.086 0.000 1.076 147 L CA 1.337 56.232 54.840 0.091 0.000 0.758 147 L CB -1.482 40.657 42.059 0.133 0.000 0.890 147 L HN 0.310 nan 8.230 nan 0.000 0.433 148 P HA -0.148 nan 4.420 nan 0.000 0.218 148 P C 0.941 178.274 177.300 0.055 0.000 1.148 148 P CA 1.328 64.497 63.100 0.115 0.000 0.822 148 P CB -0.018 31.737 31.700 0.092 0.000 0.784 149 N N -1.453 117.266 118.700 0.032 0.000 2.268 149 N HA 0.051 4.678 4.740 -0.189 0.000 0.204 149 N C -0.063 175.468 175.510 0.035 0.000 1.124 149 N CA -0.096 52.963 53.050 0.016 0.000 0.838 149 N CB -0.524 38.008 38.487 0.076 0.000 0.994 149 N HN -0.095 nan 8.380 nan 0.000 0.489 150 L N 0.383 121.616 121.223 0.016 0.000 2.452 150 L HA 0.317 4.544 4.340 -0.189 0.000 0.267 150 L C -0.602 176.238 176.870 -0.049 0.000 1.188 150 L CA 0.379 55.256 54.840 0.063 0.000 0.821 150 L CB 0.125 42.220 42.059 0.060 0.000 1.102 150 L HN 0.008 nan 8.230 nan 0.000 0.470 151 F N 1.300 121.175 119.950 -0.125 0.000 2.460 151 F HA 0.285 4.699 4.527 -0.189 0.000 0.341 151 F C 0.302 176.064 175.800 -0.064 0.000 1.130 151 F CA -0.422 57.468 58.000 -0.184 0.000 0.962 151 F CB 1.783 40.527 39.000 -0.427 0.000 1.171 151 F HN 0.326 nan 8.300 nan 0.000 0.436 152 S N 3.834 119.609 115.700 0.125 0.000 2.416 152 S HA 0.577 4.933 4.470 -0.189 0.000 0.287 152 S C -0.684 174.014 174.600 0.164 0.000 1.139 152 S CA -0.444 57.839 58.200 0.139 0.000 1.058 152 S CB -0.020 63.255 63.200 0.126 0.000 0.967 152 S HN 0.345 nan 8.310 nan 0.000 0.495 153 V N 5.529 125.512 119.914 0.115 0.000 2.435 153 V HA 0.370 4.376 4.120 -0.189 0.000 0.290 153 V C 0.424 176.542 176.094 0.040 0.000 1.030 153 V CA -0.808 61.533 62.300 0.069 0.000 0.881 153 V CB 1.806 33.669 31.823 0.066 0.000 0.983 153 V HN 0.815 nan 8.190 nan 0.000 0.445 154 T N 6.605 121.159 114.554 0.001 0.000 2.737 154 T HA 0.369 4.605 4.350 -0.189 0.000 0.296 154 T C 0.333 174.992 174.700 -0.067 0.000 0.922 154 T CA -0.092 61.986 62.100 -0.037 0.000 1.079 154 T CB 0.030 68.850 68.868 -0.079 0.000 0.892 154 T HN 0.414 nan 8.240 nan 0.000 0.514 155 L N 4.630 125.830 121.223 -0.038 0.000 2.466 155 L HA 0.320 4.547 4.340 -0.189 0.000 0.248 155 L C 2.021 178.858 176.870 -0.055 0.000 1.240 155 L CA -0.525 54.301 54.840 -0.025 0.000 1.180 155 L CB -0.401 41.665 42.059 0.012 0.000 1.413 155 L HN 0.670 nan 8.230 nan 0.000 0.406 156 R N 1.244 121.679 120.500 -0.109 0.000 2.273 156 R HA -0.275 3.951 4.340 -0.189 0.000 0.229 156 R C 1.118 177.288 176.300 -0.216 0.000 1.104 156 R CA 2.835 58.829 56.100 -0.177 0.000 0.870 156 R CB 0.003 30.209 30.300 -0.156 0.000 0.894 156 R HN 0.512 nan 8.270 nan 0.000 0.421 157 D N -0.725 119.650 120.400 -0.042 0.000 2.350 157 D HA -0.047 4.480 4.640 -0.189 0.000 0.216 157 D C 1.296 177.696 176.300 0.167 0.000 0.968 157 D CA 1.165 55.221 54.000 0.093 0.000 0.894 157 D CB 0.023 40.946 40.800 0.205 0.000 0.909 157 D HN 0.491 nan 8.370 nan 0.000 0.520 158 A N -0.017 122.850 122.820 0.078 0.000 2.123 158 A HA 0.385 4.591 4.320 -0.189 0.000 0.214 158 A C 1.742 179.388 177.584 0.104 0.000 1.152 158 A CA 0.768 52.865 52.037 0.100 0.000 0.728 158 A CB -0.388 18.652 19.000 0.066 0.000 0.814 158 A HN 0.213 nan 8.150 nan 0.000 0.464 159 G N -0.467 108.356 108.800 0.039 0.000 2.333 159 G HA2 -0.191 3.655 3.960 -0.189 0.000 0.296 159 G HA3 -0.191 3.655 3.960 -0.189 0.000 0.296 159 G C -0.207 174.721 174.900 0.047 0.000 1.059 159 G CA 0.648 45.782 45.100 0.056 0.000 1.050 159 G HN 0.756 nan 8.290 nan 0.000 0.508 160 Q N -1.660 118.150 119.800 0.016 0.000 2.737 160 Q HA 0.747 4.974 4.340 -0.189 0.000 0.307 160 Q C -0.357 175.651 176.000 0.014 0.000 0.905 160 Q CA -0.893 54.926 55.803 0.027 0.000 0.753 160 Q CB 1.846 30.607 28.738 0.038 0.000 1.463 160 Q HN 0.888 nan 8.270 nan 0.000 0.455 161 I N -2.672 117.914 120.570 0.027 0.000 2.802 161 I HA 0.931 4.988 4.170 -0.189 0.000 0.298 161 I C -1.480 174.664 176.117 0.045 0.000 1.176 161 I CA -0.898 60.421 61.300 0.032 0.000 1.025 161 I CB 2.346 40.368 38.000 0.036 0.000 1.243 161 I HN 0.586 nan 8.210 nan 0.000 0.424 162 A N 5.756 128.608 122.820 0.054 0.000 2.343 162 A HA 0.820 5.027 4.320 -0.189 0.000 0.316 162 A C -0.848 176.784 177.584 0.080 0.000 1.104 162 A CA -0.613 51.462 52.037 0.063 0.000 0.768 162 A CB 1.001 20.039 19.000 0.062 0.000 1.213 162 A HN 0.790 nan 8.150 nan 0.000 0.456 163 L N 3.266 124.537 121.223 0.081 0.000 2.261 163 L HA 0.372 4.599 4.340 -0.189 0.000 0.289 163 L C -0.631 176.303 176.870 0.108 0.000 1.059 163 L CA -0.534 54.363 54.840 0.094 0.000 0.816 163 L CB 1.113 43.221 42.059 0.081 0.000 1.191 163 L HN 0.434 nan 8.230 nan 0.000 0.431 164 V N 2.326 122.323 119.914 0.137 0.000 2.427 164 V HA 0.142 4.149 4.120 -0.189 0.000 0.286 164 V C -0.091 176.106 176.094 0.172 0.000 1.034 164 V CA -0.698 61.692 62.300 0.150 0.000 0.893 164 V CB 1.975 33.903 31.823 0.175 0.000 0.982 164 V HN 0.644 nan 8.190 nan 0.000 0.452 165 D N 3.558 124.055 120.400 0.162 0.000 2.383 165 D HA 0.323 4.850 4.640 -0.189 0.000 0.252 165 D C 1.306 177.747 176.300 0.234 0.000 1.166 165 D CA 0.760 54.861 54.000 0.169 0.000 0.879 165 D CB 1.699 42.573 40.800 0.125 0.000 1.164 165 D HN 0.582 nan 8.370 nan 0.000 0.462 166 G N 3.328 112.287 108.800 0.265 0.000 2.480 166 G HA2 -0.297 3.550 3.960 -0.189 0.000 0.216 166 G HA3 -0.297 3.550 3.960 -0.189 0.000 0.216 166 G C 1.163 176.273 174.900 0.351 0.000 1.200 166 G CA 0.625 45.930 45.100 0.342 0.000 0.782 166 G HN 0.559 nan 8.290 nan 0.000 0.554 167 D N 0.176 120.708 120.400 0.219 0.000 2.149 167 D HA -0.067 4.459 4.640 -0.189 0.000 0.201 167 D C 2.956 179.321 176.300 0.107 0.000 0.972 167 D CA 1.499 55.590 54.000 0.152 0.000 0.835 167 D CB -0.198 40.664 40.800 0.104 0.000 0.966 167 D HN 0.467 nan 8.370 nan 0.000 0.476 168 S N -0.307 115.455 115.700 0.104 0.000 2.478 168 S HA -0.003 4.354 4.470 -0.189 0.000 0.222 168 S C 0.928 175.561 174.600 0.054 0.000 1.008 168 S CA 0.241 58.480 58.200 0.065 0.000 0.928 168 S CB 0.318 63.553 63.200 0.058 0.000 0.781 168 S HN -0.074 nan 8.310 nan 0.000 0.518 169 K N 0.124 120.584 120.400 0.101 0.000 3.281 169 K HA -0.099 4.108 4.320 -0.189 0.000 0.295 169 K C -0.650 175.982 176.600 0.053 0.000 1.233 169 K CA 0.974 57.298 56.287 0.062 0.000 0.866 169 K CB -1.972 30.479 32.500 -0.081 0.000 1.265 169 K HN 0.602 nan 8.250 nan 0.000 0.482 170 K N -0.033 120.413 120.400 0.077 0.000 2.208 170 K HA 0.496 4.702 4.320 -0.189 0.000 0.247 170 K C 0.057 176.704 176.600 0.079 0.000 0.953 170 K CA -0.907 55.416 56.287 0.060 0.000 0.837 170 K CB 1.387 33.914 32.500 0.045 0.000 1.131 170 K HN -0.012 nan 8.250 nan 0.000 0.431 171 I N 3.135 123.744 120.570 0.065 0.000 2.347 171 I HA -0.051 4.005 4.170 -0.189 0.000 0.294 171 I C 1.147 177.301 176.117 0.061 0.000 1.090 171 I CA -0.115 61.227 61.300 0.069 0.000 1.314 171 I CB 0.788 38.823 38.000 0.058 0.000 1.423 171 I HN 0.470 nan 8.210 nan 0.000 0.503 172 V N 5.330 125.285 119.914 0.069 0.000 2.719 172 V HA -0.052 3.955 4.120 -0.189 0.000 0.252 172 V C 0.619 176.746 176.094 0.055 0.000 1.065 172 V CA 1.299 63.636 62.300 0.061 0.000 1.086 172 V CB -0.597 31.267 31.823 0.068 0.000 0.700 172 V HN 0.731 nan 8.190 nan 0.000 0.467 173 K N -1.009 119.425 120.400 0.058 0.000 2.589 173 K HA 0.493 4.699 4.320 -0.189 0.000 0.265 173 K C -1.888 174.744 176.600 0.053 0.000 0.935 173 K CA -0.296 56.022 56.287 0.053 0.000 0.850 173 K CB 2.157 34.689 32.500 0.053 0.000 1.372 173 K HN -0.204 nan 8.250 nan 0.000 0.420 174 V N 5.335 125.278 119.914 0.048 0.000 2.409 174 V HA 0.571 4.577 4.120 -0.189 0.000 0.291 174 V C -0.434 175.687 176.094 0.045 0.000 1.020 174 V CA -0.626 61.702 62.300 0.047 0.000 0.848 174 V CB 1.264 33.114 31.823 0.044 0.000 0.990 174 V HN 0.639 nan 8.190 nan 0.000 0.430 175 I N 3.563 124.160 120.570 0.045 0.000 2.433 175 I HA 0.417 4.473 4.170 -0.189 0.000 0.292 175 I C -0.354 175.789 176.117 0.043 0.000 1.001 175 I CA -0.710 60.616 61.300 0.044 0.000 1.119 175 I CB 1.898 39.925 38.000 0.046 0.000 1.289 175 I HN 0.479 nan 8.210 nan 0.000 0.438 176 D N 4.878 125.304 120.400 0.044 0.000 2.389 176 D HA 0.288 4.814 4.640 -0.189 0.000 0.247 176 D C 0.335 176.663 176.300 0.047 0.000 1.128 176 D CA 0.471 54.500 54.000 0.048 0.000 0.884 176 D CB 1.547 42.377 40.800 0.049 0.000 1.194 176 D HN 0.698 nan 8.370 nan 0.000 0.441 177 T N -1.852 112.732 114.554 0.049 0.000 2.590 177 T HA 0.607 4.844 4.350 -0.189 0.000 0.282 177 T C 0.465 175.200 174.700 0.059 0.000 0.989 177 T CA -0.990 61.137 62.100 0.045 0.000 1.091 177 T CB 0.806 69.692 68.868 0.029 0.000 1.460 177 T HN 0.232 nan 8.240 nan 0.000 0.499 178 G N -0.581 108.250 108.800 0.052 0.000 2.569 178 G HA2 0.416 4.263 3.960 -0.189 0.000 0.249 178 G HA3 0.416 4.263 3.960 -0.189 0.000 0.249 178 G C -0.926 174.032 174.900 0.096 0.000 1.216 178 G CA -0.516 44.629 45.100 0.074 0.000 0.845 178 G HN 0.690 nan 8.290 nan 0.000 0.568 179 Y N 1.359 121.674 120.300 0.024 0.000 2.620 179 Y HA 0.270 4.707 4.550 -0.189 0.000 0.330 179 Y C 0.948 176.875 175.900 0.045 0.000 1.186 179 Y CA 0.414 58.536 58.100 0.036 0.000 1.467 179 Y CB 0.286 38.768 38.460 0.037 0.000 1.262 179 Y HN 1.296 nan 8.280 nan 0.000 0.550 180 A N 4.067 126.426 122.820 -0.768 0.000 2.362 180 A HA -0.166 4.040 4.320 -0.189 0.000 0.290 180 A C 0.063 177.537 177.584 -0.184 0.000 1.441 180 A CA 0.555 52.268 52.037 -0.539 0.000 0.743 180 A CB -2.512 16.122 19.000 -0.610 0.000 1.125 180 A HN 0.700 nan 8.150 nan 0.000 0.378 181 V N 1.761 121.601 119.914 -0.124 0.000 2.681 181 V HA -0.088 3.919 4.120 -0.189 0.000 0.306 181 V C 1.722 177.797 176.094 -0.030 0.000 1.077 181 V CA 1.606 63.878 62.300 -0.046 0.000 1.224 181 V CB 0.446 32.248 31.823 -0.036 0.000 0.879 181 V HN 0.846 nan 8.190 nan 0.000 0.494 182 H N 4.408 123.441 119.070 -0.061 0.000 2.431 182 H HA 0.363 4.806 4.556 -0.190 0.000 0.295 182 H C 0.531 175.872 175.328 0.021 0.000 1.038 182 H CA 1.292 57.322 56.048 -0.030 0.000 1.360 182 H CB 0.434 30.165 29.762 -0.052 0.000 1.433 182 H HN 0.698 nan 8.280 nan 0.000 0.536 183 I N -3.884 116.701 120.570 0.025 0.000 3.263 183 I HA 0.536 4.592 4.170 -0.189 0.000 0.314 183 I C -1.196 174.686 176.117 -0.391 0.000 1.269 183 I CA -1.095 60.104 61.300 -0.169 0.000 0.942 183 I CB 2.529 40.389 38.000 -0.233 0.000 1.305 183 I HN -0.266 nan 8.210 nan 0.000 0.474 184 S N 1.397 116.501 115.700 -0.992 0.000 2.526 184 S HA 0.746 5.103 4.470 -0.189 0.000 0.293 184 S C -0.877 173.306 174.600 -0.695 0.000 1.092 184 S CA -0.777 57.039 58.200 -0.638 0.000 0.980 184 S CB 1.680 64.664 63.200 -0.360 0.000 1.048 184 S HN 0.462 nan 8.310 nan 0.000 0.483 185 R N 1.573 121.867 120.500 -0.343 0.000 2.771 185 R HA 0.529 4.756 4.340 -0.189 0.000 0.274 185 R C -1.270 174.955 176.300 -0.126 0.000 0.987 185 R CA -0.755 55.203 56.100 -0.237 0.000 0.908 185 R CB 1.493 31.676 30.300 -0.196 0.000 1.213 185 R HN 0.494 nan 8.270 nan 0.000 0.468 186 M N 1.077 120.627 119.600 -0.083 0.000 2.436 186 M HA 0.287 4.653 4.480 -0.189 0.000 0.331 186 M C 0.448 176.727 176.300 -0.034 0.000 1.135 186 M CA -0.753 54.520 55.300 -0.046 0.000 0.987 186 M CB 1.752 34.328 32.600 -0.040 0.000 1.687 186 M HN 0.674 nan 8.290 nan 0.000 0.445 187 S N 1.437 117.134 115.700 -0.005 0.000 2.579 187 S HA 0.364 4.720 4.470 -0.189 0.000 0.275 187 S C 1.243 175.830 174.600 -0.021 0.000 1.345 187 S CA -0.042 58.162 58.200 0.007 0.000 1.031 187 S CB 0.678 63.920 63.200 0.070 0.000 0.892 187 S HN 0.756 nan 8.310 nan 0.000 0.529 188 A N 2.452 125.262 122.820 -0.016 0.000 1.986 188 A HA -0.103 4.103 4.320 -0.189 0.000 0.220 188 A C 2.426 179.989 177.584 -0.036 0.000 1.171 188 A CA 2.028 54.045 52.037 -0.034 0.000 0.640 188 A CB -1.566 17.436 19.000 0.004 0.000 0.811 188 A HN 1.384 nan 8.150 nan 0.000 0.451 189 S N -1.935 113.754 115.700 -0.019 0.000 2.453 189 S HA 0.294 4.650 4.470 -0.189 0.000 0.231 189 S C 1.595 176.191 174.600 -0.007 0.000 1.005 189 S CA 1.228 59.419 58.200 -0.015 0.000 0.949 189 S CB -0.556 62.610 63.200 -0.058 0.000 0.774 189 S HN 1.994 nan 8.310 nan 0.000 0.510 190 G N 1.619 110.401 108.800 -0.030 0.000 2.143 190 G HA2 -0.311 3.535 3.960 -0.189 0.000 0.249 190 G HA3 -0.311 3.535 3.960 -0.189 0.000 0.249 190 G C 0.718 175.588 174.900 -0.050 0.000 0.981 190 G CA 0.456 45.557 45.100 0.001 0.000 0.665 190 G HN 0.645 nan 8.290 nan 0.000 0.528 191 R N -1.133 119.224 120.500 -0.238 0.000 2.123 191 R HA 0.303 4.529 4.340 -0.189 0.000 0.209 191 R C 0.281 176.239 176.300 -0.571 0.000 1.078 191 R CA 0.255 55.985 56.100 -0.616 0.000 1.028 191 R CB 0.194 29.704 30.300 -1.316 0.000 0.939 191 R HN 0.333 nan 8.270 nan 0.000 0.463 192 Y N 1.067 121.244 120.300 -0.205 0.000 2.323 192 Y HA 0.351 4.787 4.550 -0.190 0.000 0.331 192 Y C -0.152 175.696 175.900 -0.086 0.000 1.092 192 Y CA -0.735 57.284 58.100 -0.135 0.000 1.150 192 Y CB 1.521 39.902 38.460 -0.132 0.000 1.200 192 Y HN -0.001 nan 8.280 nan 0.000 0.472 193 L N 5.503 126.786 121.223 0.101 0.000 2.287 193 L HA 0.503 4.730 4.340 -0.189 0.000 0.287 193 L C -1.395 175.490 176.870 0.026 0.000 1.022 193 L CA -0.657 54.205 54.840 0.037 0.000 0.814 193 L CB 0.688 42.764 42.059 0.028 0.000 1.217 193 L HN 0.630 nan 8.230 nan 0.000 0.420 194 L N 6.232 127.442 121.223 -0.022 0.000 2.296 194 L HA 0.567 4.794 4.340 -0.189 0.000 0.286 194 L C -0.293 176.530 176.870 -0.079 0.000 1.023 194 L CA -0.727 54.086 54.840 -0.045 0.000 0.812 194 L CB 1.808 43.827 42.059 -0.067 0.000 1.223 194 L HN 0.394 nan 8.230 nan 0.000 0.421 195 V N 1.971 121.852 119.914 -0.055 0.000 2.823 195 V HA 0.689 4.695 4.120 -0.189 0.000 0.312 195 V C -0.760 175.305 176.094 -0.049 0.000 1.072 195 V CA -0.731 61.531 62.300 -0.064 0.000 0.937 195 V CB 2.306 34.109 31.823 -0.033 0.000 1.013 195 V HN 0.692 nan 8.190 nan 0.000 0.430 196 I N 2.569 123.106 120.570 -0.054 0.000 2.533 196 I HA 0.835 4.892 4.170 -0.189 0.000 0.290 196 I C 0.477 176.583 176.117 -0.019 0.000 1.056 196 I CA -0.330 60.946 61.300 -0.040 0.000 1.057 196 I CB 1.723 39.686 38.000 -0.063 0.000 1.240 196 I HN 1.020 nan 8.210 nan 0.000 0.423 197 G N 5.102 113.896 108.800 -0.009 0.000 2.504 197 G HA2 0.277 4.124 3.960 -0.189 0.000 0.288 197 G HA3 0.277 4.124 3.960 -0.189 0.000 0.288 197 G C 0.612 175.513 174.900 0.002 0.000 1.182 197 G CA -0.733 44.371 45.100 0.007 0.000 0.894 197 G HN 0.865 nan 8.290 nan 0.000 0.521 198 R N -0.668 119.850 120.500 0.030 0.000 2.237 198 R HA -0.038 4.189 4.340 -0.189 0.000 0.219 198 R C 0.724 177.028 176.300 0.007 0.000 1.080 198 R CA 1.485 57.587 56.100 0.003 0.000 0.995 198 R CB -0.093 30.248 30.300 0.070 0.000 0.875 198 R HN 0.461 nan 8.270 nan 0.000 0.462 199 D N 0.439 120.863 120.400 0.039 0.000 2.336 199 D HA 0.126 4.653 4.640 -0.189 0.000 0.229 199 D C 0.831 177.087 176.300 -0.073 0.000 1.061 199 D CA 0.442 54.446 54.000 0.007 0.000 0.875 199 D CB 0.527 41.358 40.800 0.050 0.000 0.904 199 D HN 0.315 nan 8.370 nan 0.000 0.525 200 A N -0.097 122.679 122.820 -0.074 0.000 3.172 200 A HA -0.295 3.912 4.320 -0.189 0.000 0.263 200 A C 0.796 178.336 177.584 -0.074 0.000 1.215 200 A CA 0.845 52.819 52.037 -0.105 0.000 1.065 200 A CB -2.361 16.527 19.000 -0.187 0.000 1.148 200 A HN 0.476 nan 8.150 nan 0.000 0.904 201 R N 0.478 120.957 120.500 -0.036 0.000 2.267 201 R HA 0.589 4.816 4.340 -0.189 0.000 0.319 201 R C -0.352 175.953 176.300 0.008 0.000 1.067 201 R CA -0.330 55.772 56.100 0.002 0.000 0.936 201 R CB 0.110 30.425 30.300 0.026 0.000 1.006 201 R HN 0.523 nan 8.270 nan 0.000 0.452 202 I N 3.706 124.287 120.570 0.019 0.000 2.437 202 I HA 0.261 4.317 4.170 -0.189 0.000 0.298 202 I C -0.229 175.906 176.117 0.030 0.000 0.984 202 I CA -0.577 60.729 61.300 0.009 0.000 1.214 202 I CB 1.840 39.839 38.000 -0.002 0.000 1.365 202 I HN 0.498 nan 8.210 nan 0.000 0.469 203 D N 6.846 127.257 120.400 0.019 0.000 2.649 203 D HA 0.359 4.885 4.640 -0.189 0.000 0.249 203 D C -0.950 175.363 176.300 0.023 0.000 1.112 203 D CA -0.395 53.624 54.000 0.032 0.000 0.850 203 D CB 2.900 43.720 40.800 0.034 0.000 1.399 203 D HN 0.389 nan 8.370 nan 0.000 0.503 204 M N 3.406 123.025 119.600 0.031 0.000 2.180 204 M HA 0.446 4.813 4.480 -0.189 0.000 0.350 204 M C -1.423 174.928 176.300 0.084 0.000 1.125 204 M CA -0.439 54.878 55.300 0.028 0.000 1.031 204 M CB 0.884 33.464 32.600 -0.035 0.000 1.623 204 M HN 0.301 nan 8.290 nan 0.000 0.451 205 I N 3.886 124.531 120.570 0.125 0.000 2.406 205 I HA 0.256 4.313 4.170 -0.189 0.000 0.290 205 I C -0.662 175.559 176.117 0.175 0.000 0.999 205 I CA -0.758 60.622 61.300 0.133 0.000 1.124 205 I CB 1.746 39.793 38.000 0.078 0.000 1.289 205 I HN 0.553 nan 8.210 nan 0.000 0.441 206 D N 6.432 126.919 120.400 0.146 0.000 2.325 206 D HA 0.209 4.736 4.640 -0.189 0.000 0.251 206 D C 0.697 176.975 176.300 -0.035 0.000 1.196 206 D CA 0.080 54.060 54.000 -0.033 0.000 0.866 206 D CB 1.282 42.103 40.800 0.035 0.000 1.101 206 D HN 0.450 nan 8.370 nan 0.000 0.476 207 L N 2.932 124.094 121.223 -0.102 0.000 2.554 207 L HA 0.035 4.262 4.340 -0.189 0.000 0.226 207 L C 1.205 178.209 176.870 0.224 0.000 1.137 207 L CA 0.000 54.872 54.840 0.054 0.000 0.863 207 L CB 0.068 42.161 42.059 0.056 0.000 0.985 207 L HN 0.489 nan 8.230 nan 0.000 0.451 208 W N 0.655 121.882 121.300 -0.121 0.000 2.863 208 W HA 0.255 4.801 4.660 -0.189 0.000 0.258 208 W C 1.439 177.930 176.519 -0.047 0.000 1.298 208 W CA -0.895 56.398 57.345 -0.087 0.000 1.451 208 W CB -0.560 28.830 29.460 -0.118 0.000 1.107 208 W HN -0.072 nan 8.180 nan 0.000 0.641 209 A N 1.211 124.136 122.820 0.176 0.000 2.466 209 A HA 0.033 4.239 4.320 -0.189 0.000 0.238 209 A C 1.679 179.311 177.584 0.080 0.000 1.074 209 A CA 0.051 52.155 52.037 0.111 0.000 0.774 209 A CB 0.436 19.488 19.000 0.088 0.000 1.015 209 A HN 0.149 nan 8.150 nan 0.000 0.498 210 K N 0.137 120.571 120.400 0.056 0.000 2.127 210 K HA -0.192 4.014 4.320 -0.189 0.000 0.212 210 K C 0.537 177.161 176.600 0.040 0.000 1.050 210 K CA 2.040 58.349 56.287 0.037 0.000 0.929 210 K CB 0.047 32.565 32.500 0.030 0.000 0.715 210 K HN 0.818 nan 8.250 nan 0.000 0.457 211 E N 0.395 120.623 120.200 0.047 0.000 2.241 211 E HA 0.201 4.437 4.350 -0.189 0.000 0.263 211 E C -2.707 173.926 176.600 0.056 0.000 0.882 211 E CA -2.583 53.846 56.400 0.047 0.000 0.769 211 E CB 1.900 31.624 29.700 0.041 0.000 1.185 211 E HN -0.176 nan 8.360 nan 0.000 0.415 212 P HA -0.076 nan 4.420 nan 0.000 0.258 212 P C -0.753 176.583 177.300 0.060 0.000 1.172 212 P CA 0.500 63.638 63.100 0.064 0.000 0.762 212 P CB 0.229 31.967 31.700 0.063 0.000 0.764 213 T N 0.228 114.821 114.554 0.065 0.000 2.896 213 T HA 0.452 4.688 4.350 -0.189 0.000 0.297 213 T C -0.358 174.386 174.700 0.074 0.000 1.108 213 T CA -1.273 60.864 62.100 0.063 0.000 1.004 213 T CB 1.534 70.436 68.868 0.057 0.000 1.159 213 T HN 0.083 nan 8.240 nan 0.000 0.499 214 K N 1.342 121.781 120.400 0.065 0.000 2.412 214 K HA 0.340 4.546 4.320 -0.189 0.000 0.281 214 K C 1.203 177.843 176.600 0.067 0.000 1.027 214 K CA -0.242 56.085 56.287 0.067 0.000 0.989 214 K CB 1.016 33.548 32.500 0.052 0.000 0.935 214 K HN 0.559 nan 8.250 nan 0.000 0.475 215 V N -0.787 119.175 119.914 0.079 0.000 3.523 215 V HA 0.402 4.408 4.120 -0.189 0.000 0.255 215 V C 0.327 176.446 176.094 0.041 0.000 1.226 215 V CA 0.246 62.588 62.300 0.069 0.000 1.092 215 V CB 0.228 32.119 31.823 0.113 0.000 0.817 215 V HN 0.659 nan 8.190 nan 0.000 0.458 216 A N 0.765 123.613 122.820 0.047 0.000 2.604 216 A HA 0.814 5.021 4.320 -0.189 0.000 0.295 216 A C -0.925 176.711 177.584 0.087 0.000 1.067 216 A CA -0.073 52.005 52.037 0.068 0.000 0.683 216 A CB 1.720 20.787 19.000 0.111 0.000 1.281 216 A HN 0.704 nan 8.150 nan 0.000 0.407 217 E N 0.452 120.728 120.200 0.127 0.000 2.433 217 E HA 0.864 5.101 4.350 -0.189 0.000 0.278 217 E C -1.391 175.340 176.600 0.219 0.000 0.976 217 E CA -0.733 55.746 56.400 0.132 0.000 0.793 217 E CB 2.024 31.776 29.700 0.087 0.000 1.311 217 E HN 1.114 nan 8.360 nan 0.000 0.460 218 I N -0.059 120.618 120.570 0.179 0.000 2.836 218 I HA 0.320 4.376 4.170 -0.189 0.000 0.298 218 I C -2.169 174.045 176.117 0.161 0.000 1.600 218 I CA -0.680 60.750 61.300 0.218 0.000 0.972 218 I CB 2.130 40.259 38.000 0.214 0.000 1.385 218 I HN 0.676 nan 8.210 nan 0.000 0.520 219 K N 5.808 126.341 120.400 0.222 0.000 2.483 219 K HA 0.451 4.657 4.320 -0.189 0.000 0.256 219 K C 0.058 176.797 176.600 0.232 0.000 0.961 219 K CA -0.554 55.819 56.287 0.143 0.000 0.873 219 K CB 1.126 33.703 32.500 0.129 0.000 1.107 219 K HN 0.591 nan 8.250 nan 0.000 0.432 220 I N 0.354 120.959 120.570 0.059 0.000 3.810 220 I HA 0.406 4.463 4.170 -0.189 0.000 0.322 220 I C 0.388 176.461 176.117 -0.073 0.000 1.288 220 I CA -0.125 61.239 61.300 0.107 0.000 1.143 220 I CB 0.658 38.689 38.000 0.051 0.000 1.012 220 I HN 0.610 nan 8.210 nan 0.000 0.423 221 G N -0.032 108.421 108.800 -0.579 0.000 2.325 221 G HA2 0.293 4.139 3.960 -0.189 0.000 0.295 221 G HA3 0.293 4.139 3.960 -0.189 0.000 0.295 221 G C -0.490 173.945 174.900 -0.774 0.000 1.274 221 G CA -0.384 44.316 45.100 -0.667 0.000 0.857 221 G HN -0.102 nan 8.290 nan 0.000 0.499 222 I N 0.240 120.603 120.570 -0.346 0.000 2.585 222 I HA 0.311 4.367 4.170 -0.189 0.000 0.254 222 I C 0.911 176.991 176.117 -0.063 0.000 1.129 222 I CA 0.642 61.833 61.300 -0.182 0.000 1.455 222 I CB 0.000 38.083 38.000 0.139 0.000 1.111 222 I HN 0.635 nan 8.210 nan 0.000 0.433 223 E N -0.010 120.208 120.200 0.030 0.000 2.308 223 E HA 0.700 4.937 4.350 -0.189 0.000 0.275 223 E C -1.393 175.217 176.600 0.016 0.000 0.890 223 E CA -0.624 55.810 56.400 0.056 0.000 0.754 223 E CB 2.200 32.014 29.700 0.190 0.000 1.207 223 E HN 0.079 nan 8.360 nan 0.000 0.426 224 A N 3.125 125.875 122.820 -0.116 0.000 2.588 224 A HA 0.700 4.907 4.320 -0.189 0.000 0.290 224 A C -0.548 176.813 177.584 -0.372 0.000 1.136 224 A CA -0.591 51.328 52.037 -0.197 0.000 0.681 224 A CB 1.624 20.559 19.000 -0.109 0.000 1.282 224 A HN 0.582 nan 8.150 nan 0.000 0.421 225 R N -0.551 119.722 120.500 -0.379 0.000 2.716 225 R HA 0.278 4.505 4.340 -0.189 0.000 0.186 225 R C 0.626 176.806 176.300 -0.201 0.000 0.830 225 R CA 0.755 56.606 56.100 -0.415 0.000 1.059 225 R CB 0.008 29.912 30.300 -0.661 0.000 1.531 225 R HN 0.638 nan 8.270 nan 0.000 0.633 226 S N 0.576 116.177 115.700 -0.165 0.000 2.651 226 S HA 0.666 5.022 4.470 -0.189 0.000 0.291 226 S C -0.919 173.593 174.600 -0.146 0.000 1.141 226 S CA -0.466 57.651 58.200 -0.138 0.000 1.027 226 S CB 1.455 64.572 63.200 -0.139 0.000 1.043 226 S HN -0.012 nan 8.310 nan 0.000 0.530 227 V N 2.168 121.981 119.914 -0.169 0.000 3.120 227 V HA 0.845 4.852 4.120 -0.189 0.000 0.303 227 V C -1.589 174.374 176.094 -0.218 0.000 1.238 227 V CA -0.379 61.808 62.300 -0.188 0.000 1.008 227 V CB 2.289 34.022 31.823 -0.150 0.000 1.064 227 V HN 1.022 nan 8.190 nan 0.000 0.434 228 E N 2.557 122.600 120.200 -0.262 0.000 2.437 228 E HA 0.738 4.974 4.350 -0.189 0.000 0.280 228 E C -1.752 174.742 176.600 -0.177 0.000 1.044 228 E CA -0.223 56.037 56.400 -0.232 0.000 0.826 228 E CB 2.381 31.899 29.700 -0.304 0.000 1.358 228 E HN 0.811 nan 8.360 nan 0.000 0.459 229 S N 0.307 116.007 115.700 0.001 0.000 2.568 229 S HA 0.632 4.989 4.470 -0.189 0.000 0.293 229 S C -1.075 173.718 174.600 0.322 0.000 1.089 229 S CA -0.277 57.991 58.200 0.114 0.000 0.945 229 S CB 0.756 63.975 63.200 0.031 0.000 1.077 229 S HN 0.648 nan 8.310 nan 0.000 0.485 230 S N 2.814 118.670 115.700 0.261 0.000 2.516 230 S HA 0.345 4.701 4.470 -0.189 0.000 0.282 230 S C 0.150 174.791 174.600 0.068 0.000 1.286 230 S CA -0.360 57.845 58.200 0.008 0.000 1.066 230 S CB 0.539 63.518 63.200 -0.368 0.000 0.884 230 S HN 0.758 nan 8.310 nan 0.000 0.491 231 K N 0.991 121.432 120.400 0.069 0.000 2.438 231 K HA 0.204 4.411 4.320 -0.189 0.000 0.206 231 K C -0.473 176.185 176.600 0.097 0.000 1.081 231 K CA -0.318 55.992 56.287 0.039 0.000 1.053 231 K CB 0.331 32.784 32.500 -0.078 0.000 0.908 231 K HN 0.630 nan 8.250 nan 0.000 0.556 232 F N 3.019 122.984 119.950 0.025 0.000 2.443 232 F HA 0.143 4.556 4.527 -0.190 0.000 0.353 232 F C 0.559 176.488 175.800 0.214 0.000 1.101 232 F CA -0.866 57.175 58.000 0.068 0.000 1.226 232 F CB 0.558 39.542 39.000 -0.027 0.000 1.140 232 F HN -0.258 nan 8.300 nan 0.000 0.557 233 K N 4.030 124.029 120.400 -0.669 0.000 2.441 233 K HA 0.260 4.466 4.320 -0.189 0.000 0.273 233 K C 0.791 177.250 176.600 -0.236 0.000 1.090 233 K CA 1.493 57.499 56.287 -0.468 0.000 1.158 233 K CB -0.467 31.653 32.500 -0.633 0.000 0.847 233 K HN 0.968 nan 8.250 nan 0.000 0.483 234 G N 3.477 112.220 108.800 -0.095 0.000 2.131 234 G HA2 -0.261 3.585 3.960 -0.189 0.000 0.223 234 G HA3 -0.261 3.585 3.960 -0.189 0.000 0.223 234 G C -0.162 174.554 174.900 -0.307 0.000 0.990 234 G CA 0.162 45.163 45.100 -0.165 0.000 0.671 234 G HN 0.639 nan 8.290 nan 0.000 0.521 235 Y N 0.388 120.694 120.300 0.011 0.000 2.768 235 Y HA 0.323 4.759 4.550 -0.189 0.000 0.249 235 Y C 0.907 176.776 175.900 -0.051 0.000 1.146 235 Y CA -0.841 57.268 58.100 0.016 0.000 1.171 235 Y CB 0.533 39.088 38.460 0.158 0.000 1.249 235 Y HN 0.327 nan 8.280 nan 0.000 0.567 236 E N 2.000 122.227 120.200 0.046 0.000 2.585 236 E HA -0.087 4.150 4.350 -0.189 0.000 0.252 236 E C -0.312 176.270 176.600 -0.030 0.000 0.981 236 E CA 0.818 57.225 56.400 0.011 0.000 0.943 236 E CB 0.143 29.841 29.700 -0.004 0.000 0.923 236 E HN 0.336 nan 8.360 nan 0.000 0.486 237 D N 2.056 122.436 120.400 -0.034 0.000 3.059 237 D HA -0.227 4.299 4.640 -0.189 0.000 0.220 237 D C 0.889 177.095 176.300 -0.158 0.000 1.169 237 D CA 0.604 54.557 54.000 -0.079 0.000 0.902 237 D CB -0.478 40.285 40.800 -0.063 0.000 1.116 237 D HN 0.436 nan 8.370 nan 0.000 0.417 238 R N -0.832 119.551 120.500 -0.195 0.000 2.055 238 R HA 0.029 4.255 4.340 -0.189 0.000 0.228 238 R C 0.686 176.582 176.300 -0.675 0.000 1.143 238 R CA 1.373 57.205 56.100 -0.447 0.000 0.945 238 R CB -0.090 29.965 30.300 -0.408 0.000 0.841 238 R HN 0.325 nan 8.270 nan 0.000 0.429 239 Y N -1.298 118.927 120.300 -0.125 0.000 2.598 239 Y HA 0.385 4.821 4.550 -0.189 0.000 0.340 239 Y C -0.207 175.699 175.900 0.009 0.000 1.038 239 Y CA -0.773 57.277 58.100 -0.083 0.000 1.100 239 Y CB 2.042 40.414 38.460 -0.146 0.000 1.281 239 Y HN -0.248 nan 8.280 nan 0.000 0.488 240 T N 2.995 117.646 114.554 0.161 0.000 2.937 240 T HA 0.489 4.726 4.350 -0.189 0.000 0.297 240 T C -1.155 173.477 174.700 -0.114 0.000 0.991 240 T CA -0.457 61.642 62.100 -0.003 0.000 0.990 240 T CB 0.811 69.646 68.868 -0.055 0.000 0.991 240 T HN 0.552 nan 8.240 nan 0.000 0.440 241 I N 2.583 122.912 120.570 -0.402 0.000 2.707 241 I HA 0.863 4.920 4.170 -0.189 0.000 0.309 241 I C -0.988 174.934 176.117 -0.325 0.000 1.001 241 I CA -0.806 60.220 61.300 -0.457 0.000 1.129 241 I CB 1.261 38.650 38.000 -1.018 0.000 1.308 241 I HN 0.738 nan 8.210 nan 0.000 0.466 242 A N 4.397 127.108 122.820 -0.182 0.000 2.465 242 A HA 0.673 4.879 4.320 -0.189 0.000 0.292 242 A C -0.666 176.898 177.584 -0.035 0.000 1.041 242 A CA -0.312 51.651 52.037 -0.123 0.000 0.718 242 A CB 1.130 20.080 19.000 -0.085 0.000 1.266 242 A HN 0.855 nan 8.150 nan 0.000 0.403 243 G N 0.501 109.272 108.800 -0.049 0.000 2.389 243 G HA2 0.739 4.585 3.960 -0.189 0.000 0.317 243 G HA3 0.739 4.585 3.960 -0.189 0.000 0.317 243 G C -0.086 174.839 174.900 0.042 0.000 1.137 243 G CA 0.234 45.355 45.100 0.036 0.000 0.870 243 G HN 1.705 nan 8.290 nan 0.000 0.496 244 A N 1.080 123.957 122.820 0.096 0.000 2.380 244 A HA 0.679 4.886 4.320 -0.189 0.000 0.315 244 A C -0.037 177.711 177.584 0.272 0.000 1.101 244 A CA -0.658 51.444 52.037 0.108 0.000 0.771 244 A CB 1.230 20.250 19.000 0.032 0.000 1.287 244 A HN 0.632 nan 8.150 nan 0.000 0.436 245 Y N 0.082 120.414 120.300 0.053 0.000 2.201 245 Y HA 0.112 4.548 4.550 -0.190 0.000 0.292 245 Y C 0.761 176.809 175.900 0.246 0.000 1.119 245 Y CA 0.514 58.693 58.100 0.131 0.000 1.127 245 Y CB 0.149 38.693 38.460 0.139 0.000 1.019 245 Y HN 0.681 nan 8.280 nan 0.000 0.514 246 W N 2.131 123.554 121.300 0.205 0.000 2.781 246 W HA 0.333 4.879 4.660 -0.189 0.000 0.333 246 W C -3.092 173.467 176.519 0.067 0.000 1.047 246 W CA -2.295 55.125 57.345 0.124 0.000 1.236 246 W CB 2.039 31.575 29.460 0.126 0.000 1.394 246 W HN -0.109 nan 8.180 nan 0.000 0.466 247 P HA 0.203 nan 4.420 nan 0.000 0.276 247 P C -2.533 174.505 177.300 -0.438 0.000 1.244 247 P CA -1.234 61.200 63.100 -1.109 0.000 0.801 247 P CB 0.433 31.653 31.700 -0.799 0.000 1.006 248 P HA 0.042 nan 4.420 nan 0.000 0.264 248 P C -0.716 176.521 177.300 -0.105 0.000 1.537 248 P CA 0.586 63.619 63.100 -0.112 0.000 1.189 248 P CB -0.470 31.195 31.700 -0.058 0.000 1.687 249 Q N 2.436 122.201 119.800 -0.058 0.000 2.687 249 Q HA 0.625 4.852 4.340 -0.189 0.000 0.295 249 Q C -1.547 174.473 176.000 0.033 0.000 0.920 249 Q CA -1.029 54.721 55.803 -0.087 0.000 0.766 249 Q CB 1.192 29.831 28.738 -0.165 0.000 1.467 249 Q HN 0.183 nan 8.270 nan 0.000 0.415 250 F N -1.187 118.733 119.950 -0.051 0.000 2.588 250 F HA 0.975 5.389 4.527 -0.188 0.000 0.314 250 F C -1.484 174.279 175.800 -0.062 0.000 1.069 250 F CA -0.925 57.037 58.000 -0.064 0.000 0.931 250 F CB 1.947 40.898 39.000 -0.081 0.000 1.260 250 F HN 0.798 nan 8.300 nan 0.000 0.465 251 A N 3.421 126.335 122.820 0.157 0.000 2.356 251 A HA 0.788 4.995 4.320 -0.189 0.000 0.310 251 A C -1.144 176.488 177.584 0.081 0.000 1.075 251 A CA -0.752 51.317 52.037 0.052 0.000 0.746 251 A CB 0.827 19.831 19.000 0.008 0.000 1.221 251 A HN 0.805 nan 8.150 nan 0.000 0.443 252 I N 2.467 123.081 120.570 0.074 0.000 2.353 252 I HA 0.460 4.517 4.170 -0.189 0.000 0.293 252 I C -0.019 176.111 176.117 0.022 0.000 0.992 252 I CA 0.073 61.413 61.300 0.068 0.000 1.268 252 I CB 1.490 39.542 38.000 0.086 0.000 1.387 252 I HN 0.669 nan 8.210 nan 0.000 0.478 253 M N 3.709 123.332 119.600 0.038 0.000 2.658 253 M HA 0.330 4.697 4.480 -0.189 0.000 0.295 253 M C -0.841 175.494 176.300 0.058 0.000 1.248 253 M CA -0.879 54.412 55.300 -0.015 0.000 0.843 253 M CB 1.836 34.383 32.600 -0.089 0.000 1.749 253 M HN 0.351 nan 8.290 nan 0.000 0.464 254 D N 0.700 121.079 120.400 -0.036 0.000 2.417 254 D HA 0.154 4.681 4.640 -0.189 0.000 0.250 254 D C 0.886 177.129 176.300 -0.096 0.000 1.166 254 D CA 0.505 54.472 54.000 -0.055 0.000 0.881 254 D CB 1.170 41.914 40.800 -0.094 0.000 1.164 254 D HN 0.726 nan 8.370 nan 0.000 0.467 255 G N 3.083 111.797 108.800 -0.143 0.000 3.061 255 G HA2 -0.086 3.760 3.960 -0.189 0.000 0.208 255 G HA3 -0.086 3.760 3.960 -0.189 0.000 0.208 255 G C 1.033 175.798 174.900 -0.225 0.000 1.175 255 G CA 0.087 45.091 45.100 -0.159 0.000 0.812 255 G HN 0.510 nan 8.290 nan 0.000 0.523 256 E N -0.697 119.383 120.200 -0.200 0.000 2.399 256 E HA 0.024 4.260 4.350 -0.189 0.000 0.206 256 E C 2.277 178.781 176.600 -0.161 0.000 0.812 256 E CA 1.126 57.390 56.400 -0.228 0.000 1.138 256 E CB 0.448 30.062 29.700 -0.144 0.000 1.140 256 E HN 0.243 nan 8.360 nan 0.000 0.536 257 T N -2.151 112.377 114.554 -0.044 0.000 3.004 257 T HA 0.264 4.501 4.350 -0.189 0.000 0.266 257 T C 0.850 175.687 174.700 0.229 0.000 0.986 257 T CA 0.042 62.215 62.100 0.123 0.000 0.902 257 T CB 0.213 69.236 68.868 0.259 0.000 1.118 257 T HN 0.159 nan 8.240 nan 0.000 0.522 258 L N 0.614 121.845 121.223 0.013 0.000 4.291 258 L HA -0.149 4.077 4.340 -0.189 0.000 0.413 258 L C 0.267 176.891 176.870 -0.410 0.000 1.162 258 L CA 0.500 55.298 54.840 -0.070 0.000 0.961 258 L CB -1.676 40.420 42.059 0.062 0.000 2.095 258 L HN 0.617 nan 8.230 nan 0.000 0.838 259 E N 2.670 122.504 120.200 -0.610 0.000 2.366 259 E HA 0.179 4.416 4.350 -0.189 0.000 0.266 259 E C -2.045 174.157 176.600 -0.663 0.000 1.015 259 E CA -1.595 54.049 56.400 -1.261 0.000 0.906 259 E CB 0.841 29.940 29.700 -1.001 0.000 0.979 259 E HN 0.007 nan 8.360 nan 0.000 0.443 260 P HA -0.010 nan 4.420 nan 0.000 0.267 260 P C -0.438 176.733 177.300 -0.215 0.000 1.209 260 P CA 0.020 62.942 63.100 -0.297 0.000 0.763 260 P CB 0.900 32.464 31.700 -0.227 0.000 0.816 261 K N 1.370 121.695 120.400 -0.124 0.000 2.354 261 K HA 0.189 4.395 4.320 -0.189 0.000 0.210 261 K C 0.515 177.074 176.600 -0.069 0.000 1.184 261 K CA 0.822 57.062 56.287 -0.077 0.000 0.880 261 K CB 0.194 32.683 32.500 -0.018 0.000 1.328 261 K HN 0.431 nan 8.250 nan 0.000 0.466 262 Q N 0.416 120.178 119.800 -0.063 0.000 2.375 262 Q HA 0.527 4.754 4.340 -0.189 0.000 0.271 262 Q C -0.807 175.129 176.000 -0.106 0.000 1.074 262 Q CA -0.383 55.375 55.803 -0.076 0.000 0.808 262 Q CB 2.723 31.427 28.738 -0.056 0.000 1.327 262 Q HN 0.137 nan 8.270 nan 0.000 0.441 263 I N 1.329 121.805 120.570 -0.156 0.000 2.478 263 I HA 0.473 4.529 4.170 -0.189 0.000 0.287 263 I C -0.635 175.282 176.117 -0.334 0.000 1.042 263 I CA -0.992 60.176 61.300 -0.220 0.000 1.067 263 I CB 2.144 40.056 38.000 -0.147 0.000 1.233 263 I HN 0.105 nan 8.210 nan 0.000 0.431 264 V N 4.311 123.854 119.914 -0.617 0.000 2.540 264 V HA 0.328 4.335 4.120 -0.189 0.000 0.302 264 V C 0.147 175.907 176.094 -0.557 0.000 1.035 264 V CA -0.590 61.297 62.300 -0.688 0.000 0.873 264 V CB 2.008 33.149 31.823 -1.137 0.000 0.992 264 V HN 0.806 nan 8.190 nan 0.000 0.428 265 S N 2.711 118.236 115.700 -0.292 0.000 2.548 265 S HA 0.215 4.571 4.470 -0.189 0.000 0.277 265 S C 1.098 175.640 174.600 -0.096 0.000 1.315 265 S CA 0.225 58.322 58.200 -0.172 0.000 1.050 265 S CB 0.992 64.132 63.200 -0.101 0.000 0.918 265 S HN 1.016 nan 8.310 nan 0.000 0.497 266 T N 2.201 116.731 114.554 -0.041 0.000 3.105 266 T HA 0.326 4.563 4.350 -0.189 0.000 0.253 266 T C 0.539 175.254 174.700 0.025 0.000 1.047 266 T CA -0.376 61.742 62.100 0.030 0.000 0.944 266 T CB -0.140 68.774 68.868 0.077 0.000 1.016 266 T HN 0.547 nan 8.240 nan 0.000 0.544 267 R N 0.993 121.511 120.500 0.030 0.000 2.623 267 R HA 0.554 4.780 4.340 -0.189 0.000 0.271 267 R C 0.873 177.257 176.300 0.139 0.000 1.043 267 R CA 1.110 57.255 56.100 0.075 0.000 1.083 267 R CB 0.387 30.778 30.300 0.150 0.000 0.974 267 R HN 0.577 nan 8.270 nan 0.000 0.436 268 G N 1.257 110.129 108.800 0.121 0.000 2.335 268 G HA2 0.163 4.009 3.960 -0.189 0.000 0.291 268 G HA3 0.163 4.009 3.960 -0.189 0.000 0.291 268 G C -1.533 173.460 174.900 0.154 0.000 1.261 268 G CA -0.965 44.257 45.100 0.203 0.000 0.871 268 G HN 0.247 nan 8.290 nan 0.000 0.491 269 M N 2.001 121.682 119.600 0.135 0.000 2.216 269 M HA 0.385 4.751 4.480 -0.189 0.000 0.356 269 M C 1.012 177.323 176.300 0.019 0.000 1.205 269 M CA -0.603 54.754 55.300 0.095 0.000 1.122 269 M CB 0.427 33.078 32.600 0.084 0.000 1.571 269 M HN 0.811 nan 8.290 nan 0.000 0.464 270 T N -1.092 113.464 114.554 0.002 0.000 2.898 270 T HA 0.260 4.496 4.350 -0.189 0.000 0.301 270 T C 1.119 175.794 174.700 -0.041 0.000 1.049 270 T CA -0.774 61.295 62.100 -0.052 0.000 1.095 270 T CB 1.309 70.145 68.868 -0.053 0.000 0.976 270 T HN 0.499 nan 8.240 nan 0.000 0.539 271 V N 1.608 121.482 119.914 -0.067 0.000 2.548 271 V HA -0.071 3.935 4.120 -0.189 0.000 0.249 271 V C 2.087 178.160 176.094 -0.035 0.000 1.055 271 V CA 2.354 64.625 62.300 -0.048 0.000 1.065 271 V CB -0.784 31.003 31.823 -0.059 0.000 0.681 271 V HN 1.056 nan 8.190 nan 0.000 0.462 272 D N -0.048 120.328 120.400 -0.041 0.000 2.113 272 D HA -0.150 4.376 4.640 -0.189 0.000 0.206 272 D C 2.048 178.343 176.300 -0.007 0.000 0.979 272 D CA 2.251 56.238 54.000 -0.021 0.000 0.862 272 D CB -1.291 39.497 40.800 -0.020 0.000 1.013 272 D HN 0.525 nan 8.370 nan 0.000 0.455 273 T N -3.338 111.214 114.554 -0.003 0.000 3.067 273 T HA -0.007 4.229 4.350 -0.189 0.000 0.261 273 T C 0.861 175.570 174.700 0.014 0.000 1.110 273 T CA 0.517 62.623 62.100 0.010 0.000 1.113 273 T CB -0.527 68.353 68.868 0.018 0.000 0.917 273 T HN 0.331 nan 8.240 nan 0.000 0.499 274 Q N 1.690 121.497 119.800 0.011 0.000 2.468 274 Q HA -0.147 4.079 4.340 -0.189 0.000 0.289 274 Q C -0.327 175.698 176.000 0.041 0.000 1.299 274 Q CA 0.765 56.580 55.803 0.020 0.000 0.838 274 Q CB -2.238 26.509 28.738 0.015 0.000 1.195 274 Q HN 0.909 nan 8.270 nan 0.000 0.456 275 T N -3.755 110.830 114.554 0.053 0.000 2.942 275 T HA 0.530 4.766 4.350 -0.189 0.000 0.289 275 T C -0.598 174.181 174.700 0.131 0.000 1.044 275 T CA -0.897 61.254 62.100 0.084 0.000 1.023 275 T CB 1.405 70.312 68.868 0.065 0.000 1.123 275 T HN 0.233 nan 8.240 nan 0.000 0.512 276 Y N 1.957 122.273 120.300 0.026 0.000 2.442 276 Y HA 0.322 4.758 4.550 -0.189 0.000 0.330 276 Y C 0.216 176.148 175.900 0.054 0.000 1.129 276 Y CA -0.327 57.795 58.100 0.037 0.000 1.365 276 Y CB 0.206 38.675 38.460 0.016 0.000 1.233 276 Y HN 0.797 nan 8.280 nan 0.000 0.529 277 H N 8.874 127.524 119.070 -0.700 0.000 2.646 277 H HA 0.283 4.726 4.556 -0.189 0.000 0.328 277 H C -2.244 172.575 175.328 -0.847 0.000 0.998 277 H CA -2.399 53.306 56.048 -0.572 0.000 1.225 277 H CB 2.270 31.859 29.762 -0.289 0.000 1.457 277 H HN 0.519 nan 8.280 nan 0.000 0.505 278 P HA 0.027 nan 4.420 nan 0.000 0.249 278 P C 0.026 177.339 177.300 0.021 0.000 1.241 278 P CA 0.579 63.483 63.100 -0.327 0.000 0.781 278 P CB 0.438 32.071 31.700 -0.113 0.000 1.088 279 E N 0.398 120.708 120.200 0.185 0.000 3.554 279 E HA 0.235 4.472 4.350 -0.189 0.000 0.286 279 E C -2.778 173.980 176.600 0.263 0.000 1.173 279 E CA -1.484 55.105 56.400 0.314 0.000 1.117 279 E CB 0.854 30.759 29.700 0.341 0.000 1.323 279 E HN 0.028 nan 8.360 nan 0.000 0.394 280 P HA 0.204 nan 4.420 nan 0.000 0.266 280 P C -0.853 176.413 177.300 -0.058 0.000 1.586 280 P CA -0.313 62.726 63.100 -0.102 0.000 1.088 280 P CB 0.056 31.691 31.700 -0.109 0.000 1.584 281 R N 1.342 121.783 120.500 -0.099 0.000 2.640 281 R HA 0.211 4.437 4.340 -0.189 0.000 0.270 281 R C 0.045 176.324 176.300 -0.036 0.000 1.024 281 R CA -0.356 55.668 56.100 -0.126 0.000 1.085 281 R CB 0.203 30.173 30.300 -0.551 0.000 0.963 281 R HN 0.173 nan 8.270 nan 0.000 0.426 282 V N 2.853 122.831 119.914 0.106 0.000 2.498 282 V HA 0.323 4.330 4.120 -0.189 0.000 0.279 282 V C 0.686 176.894 176.094 0.190 0.000 1.048 282 V CA 0.108 62.477 62.300 0.115 0.000 0.967 282 V CB 0.974 32.870 31.823 0.121 0.000 0.988 282 V HN 1.011 nan 8.190 nan 0.000 0.473 283 A N 4.661 127.534 122.820 0.088 0.000 3.711 283 A HA 0.905 5.112 4.320 -0.189 0.000 0.185 283 A C 0.925 178.478 177.584 -0.051 0.000 1.697 283 A CA 0.193 52.258 52.037 0.047 0.000 1.787 283 A CB -0.473 18.525 19.000 -0.004 0.000 1.545 283 A HN 1.104 nan 8.150 nan 0.000 0.553 284 A N -0.677 122.095 122.820 -0.079 0.000 2.507 284 A HA 0.504 4.711 4.320 -0.189 0.000 0.235 284 A C -0.294 177.219 177.584 -0.118 0.000 1.070 284 A CA 0.525 52.521 52.037 -0.068 0.000 0.768 284 A CB -0.480 18.543 19.000 0.038 0.000 1.011 284 A HN 0.556 nan 8.150 nan 0.000 0.502 285 I N 1.557 122.011 120.570 -0.194 0.000 2.571 285 I HA 0.431 4.487 4.170 -0.189 0.000 0.289 285 I C -0.842 175.072 176.117 -0.337 0.000 1.115 285 I CA -0.124 60.998 61.300 -0.296 0.000 1.045 285 I CB 1.823 39.633 38.000 -0.317 0.000 1.238 285 I HN 0.657 nan 8.210 nan 0.000 0.424 286 I N 4.836 125.126 120.570 -0.467 0.000 2.582 286 I HA 0.662 4.718 4.170 -0.189 0.000 0.292 286 I C -0.320 175.665 176.117 -0.220 0.000 1.066 286 I CA -0.498 60.518 61.300 -0.473 0.000 1.053 286 I CB 1.864 39.250 38.000 -1.023 0.000 1.241 286 I HN 0.691 nan 8.210 nan 0.000 0.421 287 A N 5.366 128.200 122.820 0.023 0.000 2.354 287 A HA 0.441 4.647 4.320 -0.189 0.000 0.281 287 A C 0.092 177.753 177.584 0.127 0.000 1.174 287 A CA -0.092 52.049 52.037 0.174 0.000 0.828 287 A CB 0.612 19.740 19.000 0.214 0.000 1.099 287 A HN 0.724 nan 8.150 nan 0.000 0.516 288 S N 0.941 116.692 115.700 0.084 0.000 2.572 288 S HA 0.147 4.504 4.470 -0.189 0.000 0.279 288 S C 0.716 175.266 174.600 -0.084 0.000 1.341 288 S CA -0.244 58.018 58.200 0.103 0.000 1.043 288 S CB 0.042 63.234 63.200 -0.014 0.000 0.887 288 S HN 0.722 nan 8.310 nan 0.000 0.516 289 H N 2.048 121.147 119.070 0.048 0.000 2.827 289 H HA 0.240 4.683 4.556 -0.189 0.000 0.269 289 H C 0.919 176.331 175.328 0.140 0.000 1.031 289 H CA -0.133 55.974 56.048 0.099 0.000 1.202 289 H CB 0.582 30.286 29.762 -0.097 0.000 1.511 289 H HN 0.621 nan 8.280 nan 0.000 0.517 290 E N 0.379 120.572 120.200 -0.012 0.000 2.216 290 E HA 0.063 4.299 4.350 -0.189 0.000 0.192 290 E C 0.290 176.424 176.600 -0.777 0.000 0.973 290 E CA 0.687 56.909 56.400 -0.296 0.000 0.851 290 E CB 0.734 30.184 29.700 -0.417 0.000 0.804 290 E HN 0.476 nan 8.360 nan 0.000 0.477 291 H N -1.056 117.684 119.070 -0.550 0.000 2.985 291 H HA 0.260 4.702 4.556 -0.190 0.000 0.360 291 H C -2.417 172.108 175.328 -1.339 0.000 1.221 291 H CA -2.113 53.313 56.048 -1.037 0.000 1.121 291 H CB 1.699 31.113 29.762 -0.579 0.000 1.854 291 H HN -0.213 nan 8.280 nan 0.000 0.551 292 P HA 0.181 nan 4.420 nan 0.000 0.230 292 P C -0.666 175.601 177.300 -1.721 0.000 1.791 292 P CA 0.258 62.531 63.100 -1.378 0.000 1.020 292 P CB -0.124 30.846 31.700 -1.218 0.000 1.977 293 E N 0.321 119.849 120.200 -1.120 0.000 2.416 293 E HA 0.572 4.808 4.350 -0.189 0.000 0.273 293 E C -0.986 175.349 176.600 -0.442 0.000 0.935 293 E CA -0.760 55.150 56.400 -0.817 0.000 0.784 293 E CB 1.328 30.756 29.700 -0.454 0.000 1.301 293 E HN -0.024 nan 8.360 nan 0.000 0.454 294 F N 0.994 120.859 119.950 -0.142 0.000 2.480 294 F HA 0.479 4.892 4.527 -0.190 0.000 0.329 294 F C -0.032 175.619 175.800 -0.249 0.000 1.091 294 F CA -0.865 57.055 58.000 -0.133 0.000 0.972 294 F CB 1.072 39.993 39.000 -0.131 0.000 1.150 294 F HN 0.224 nan 8.300 nan 0.000 0.467 295 I N 4.134 124.643 120.570 -0.102 0.000 2.359 295 I HA 0.315 4.372 4.170 -0.189 0.000 0.284 295 I C -0.965 174.954 176.117 -0.330 0.000 1.018 295 I CA -0.670 60.468 61.300 -0.269 0.000 1.173 295 I CB 1.020 38.750 38.000 -0.450 0.000 1.326 295 I HN 0.125 nan 8.210 nan 0.000 0.462 296 V N 5.875 125.622 119.914 -0.278 0.000 2.427 296 V HA 0.319 4.326 4.120 -0.189 0.000 0.286 296 V C 0.078 176.082 176.094 -0.150 0.000 1.034 296 V CA -0.739 61.392 62.300 -0.282 0.000 0.893 296 V CB 1.540 33.090 31.823 -0.456 0.000 0.982 296 V HN 0.584 nan 8.190 nan 0.000 0.452 297 N N 2.969 121.615 118.700 -0.089 0.000 2.426 297 N HA 0.452 5.078 4.740 -0.189 0.000 0.275 297 N C -0.755 174.740 175.510 -0.025 0.000 1.019 297 N CA -0.221 52.819 53.050 -0.015 0.000 0.941 297 N CB 1.881 40.393 38.487 0.042 0.000 1.123 297 N HN 0.433 nan 8.380 nan 0.000 0.486 298 V N 3.580 123.475 119.914 -0.032 0.000 2.313 298 V HA 0.184 4.191 4.120 -0.189 0.000 0.278 298 V C 1.531 177.572 176.094 -0.090 0.000 1.017 298 V CA -0.739 61.535 62.300 -0.043 0.000 0.823 298 V CB 1.202 33.004 31.823 -0.034 0.000 1.010 298 V HN 0.667 nan 8.190 nan 0.000 0.443 299 K N 3.655 124.001 120.400 -0.090 0.000 1.974 299 K HA -0.245 3.961 4.320 -0.189 0.000 0.231 299 K C 1.697 178.098 176.600 -0.332 0.000 1.035 299 K CA 2.552 58.763 56.287 -0.127 0.000 1.044 299 K CB 0.038 32.499 32.500 -0.064 0.000 0.738 299 K HN 0.700 nan 8.250 nan 0.000 0.447 300 E N -0.442 119.486 120.200 -0.453 0.000 2.219 300 E HA -0.165 4.072 4.350 -0.189 0.000 0.198 300 E C 1.748 177.950 176.600 -0.663 0.000 0.998 300 E CA 1.973 57.913 56.400 -0.766 0.000 0.818 300 E CB -0.138 28.948 29.700 -1.024 0.000 0.741 300 E HN 0.676 nan 8.360 nan 0.000 0.477 301 T N -3.980 110.318 114.554 -0.426 0.000 3.060 301 T HA 0.254 4.490 4.350 -0.189 0.000 0.249 301 T C 1.471 176.046 174.700 -0.208 0.000 1.079 301 T CA 0.140 62.077 62.100 -0.272 0.000 1.013 301 T CB 0.297 69.067 68.868 -0.164 0.000 0.975 301 T HN 0.215 nan 8.240 nan 0.000 0.518 302 G N 2.263 110.926 108.800 -0.227 0.000 2.338 302 G HA2 -0.202 3.645 3.960 -0.189 0.000 0.296 302 G HA3 -0.202 3.645 3.960 -0.189 0.000 0.296 302 G C -0.305 174.538 174.900 -0.095 0.000 1.040 302 G CA -0.106 44.900 45.100 -0.155 0.000 1.004 302 G HN 0.545 nan 8.290 nan 0.000 0.509 303 K N -0.640 119.713 120.400 -0.079 0.000 2.207 303 K HA 0.700 4.907 4.320 -0.189 0.000 0.255 303 K C -0.112 176.466 176.600 -0.038 0.000 0.941 303 K CA -1.018 55.239 56.287 -0.051 0.000 0.825 303 K CB 2.415 34.892 32.500 -0.038 0.000 1.119 303 K HN 0.118 nan 8.250 nan 0.000 0.430 304 V N 4.270 124.166 119.914 -0.030 0.000 2.334 304 V HA 0.359 4.365 4.120 -0.189 0.000 0.281 304 V C -0.115 175.951 176.094 -0.046 0.000 1.016 304 V CA -0.840 61.446 62.300 -0.024 0.000 0.832 304 V CB 0.941 32.770 31.823 0.010 0.000 0.999 304 V HN 0.488 nan 8.190 nan 0.000 0.439 305 L N 5.978 127.157 121.223 -0.074 0.000 2.292 305 L HA 0.518 4.745 4.340 -0.189 0.000 0.284 305 L C -0.317 176.479 176.870 -0.122 0.000 1.065 305 L CA -0.403 54.386 54.840 -0.085 0.000 0.806 305 L CB 1.131 43.140 42.059 -0.083 0.000 1.175 305 L HN 0.428 nan 8.230 nan 0.000 0.431 306 L N 4.938 126.098 121.223 -0.105 0.000 2.321 306 L HA 0.315 4.541 4.340 -0.189 0.000 0.272 306 L C -0.439 176.350 176.870 -0.135 0.000 1.050 306 L CA -0.556 54.207 54.840 -0.129 0.000 0.893 306 L CB 1.256 43.238 42.059 -0.129 0.000 1.272 306 L HN 0.352 nan 8.230 nan 0.000 0.435 307 V N 2.683 122.519 119.914 -0.129 0.000 2.372 307 V HA 0.098 4.105 4.120 -0.189 0.000 0.261 307 V C 0.612 176.600 176.094 -0.176 0.000 1.055 307 V CA -0.437 61.814 62.300 -0.082 0.000 0.930 307 V CB 0.851 32.659 31.823 -0.025 0.000 1.031 307 V HN 0.629 nan 8.190 nan 0.000 0.479 308 N N 4.435 122.991 118.700 -0.239 0.000 2.430 308 N HA 0.079 4.705 4.740 -0.189 0.000 0.265 308 N C 0.060 175.362 175.510 -0.346 0.000 1.100 308 N CA -0.270 52.529 53.050 -0.418 0.000 0.961 308 N CB 1.089 39.370 38.487 -0.344 0.000 1.075 308 N HN 0.711 nan 8.380 nan 0.000 0.478 309 Y N 2.404 122.499 120.300 -0.342 0.000 2.571 309 Y HA 0.354 4.791 4.550 -0.189 0.000 0.275 309 Y C 1.698 177.454 175.900 -0.240 0.000 1.179 309 Y CA -0.596 57.277 58.100 -0.380 0.000 1.242 309 Y CB -0.184 37.927 38.460 -0.582 0.000 1.126 309 Y HN 0.427 nan 8.280 nan 0.000 0.524 310 K N 0.902 121.210 120.400 -0.154 0.000 2.147 310 K HA -0.162 4.044 4.320 -0.189 0.000 0.205 310 K C -0.366 176.303 176.600 0.116 0.000 1.049 310 K CA 1.571 57.880 56.287 0.038 0.000 0.936 310 K CB 0.110 32.575 32.500 -0.058 0.000 0.722 310 K HN 0.372 nan 8.250 nan 0.000 0.446 311 D N 0.144 120.560 120.400 0.026 0.000 2.336 311 D HA 0.013 4.539 4.640 -0.189 0.000 0.248 311 D C 0.281 176.571 176.300 -0.016 0.000 1.326 311 D CA -0.384 53.635 54.000 0.031 0.000 0.973 311 D CB 0.785 41.590 40.800 0.008 0.000 1.255 311 D HN 0.205 nan 8.370 nan 0.000 0.558 312 I N 1.113 121.667 120.570 -0.026 0.000 3.111 312 I HA 0.007 4.064 4.170 -0.189 0.000 0.272 312 I C 0.130 176.222 176.117 -0.042 0.000 1.268 312 I CA 0.724 61.970 61.300 -0.090 0.000 1.467 312 I CB 0.368 38.228 38.000 -0.234 0.000 1.087 312 I HN 0.107 nan 8.210 nan 0.000 0.467 313 D N 1.486 121.879 120.400 -0.012 0.000 2.213 313 D HA 0.005 4.532 4.640 -0.189 0.000 0.205 313 D C 0.165 176.454 176.300 -0.018 0.000 0.961 313 D CA 0.694 54.688 54.000 -0.010 0.000 0.853 313 D CB 0.048 40.851 40.800 0.004 0.000 0.967 313 D HN 0.487 nan 8.370 nan 0.000 0.496 314 N N 1.334 120.022 118.700 -0.019 0.000 2.841 314 N HA 0.134 4.760 4.740 -0.189 0.000 0.257 314 N C -0.594 174.898 175.510 -0.031 0.000 1.396 314 N CA -0.351 52.685 53.050 -0.024 0.000 0.823 314 N CB 1.512 39.988 38.487 -0.019 0.000 1.162 314 N HN 0.006 nan 8.380 nan 0.000 0.503 315 L N 1.297 122.501 121.223 -0.032 0.000 2.540 315 L HA 0.074 4.300 4.340 -0.189 0.000 0.276 315 L C 0.451 177.301 176.870 -0.033 0.000 1.212 315 L CA 1.021 55.843 54.840 -0.029 0.000 0.893 315 L CB 0.317 42.372 42.059 -0.006 0.000 1.138 315 L HN 0.237 nan 8.230 nan 0.000 0.491 316 T N 4.264 118.786 114.554 -0.053 0.000 2.786 316 T HA 0.602 4.839 4.350 -0.189 0.000 0.283 316 T C -0.724 173.938 174.700 -0.063 0.000 0.992 316 T CA -0.417 61.644 62.100 -0.064 0.000 0.954 316 T CB 1.164 69.976 68.868 -0.094 0.000 0.934 316 T HN 0.261 nan 8.240 nan 0.000 0.440 317 V N 3.584 123.475 119.914 -0.039 0.000 2.487 317 V HA 0.460 4.467 4.120 -0.189 0.000 0.298 317 V C 0.116 176.183 176.094 -0.045 0.000 1.028 317 V CA -0.817 61.467 62.300 -0.027 0.000 0.860 317 V CB 2.139 33.985 31.823 0.039 0.000 0.991 317 V HN 0.911 nan 8.190 nan 0.000 0.427 318 T N 3.051 117.565 114.554 -0.067 0.000 2.753 318 T HA 0.208 4.445 4.350 -0.189 0.000 0.297 318 T C 0.193 174.863 174.700 -0.049 0.000 0.981 318 T CA -0.001 62.059 62.100 -0.067 0.000 0.956 318 T CB 1.037 69.849 68.868 -0.094 0.000 0.936 318 T HN 0.582 nan 8.240 nan 0.000 0.463 319 S N 4.349 120.030 115.700 -0.033 0.000 2.400 319 S HA 0.423 4.780 4.470 -0.189 0.000 0.295 319 S C 0.149 174.732 174.600 -0.029 0.000 1.113 319 S CA -0.741 57.445 58.200 -0.024 0.000 1.064 319 S CB -0.453 62.741 63.200 -0.010 0.000 0.990 319 S HN 0.525 nan 8.310 nan 0.000 0.502 320 I N 4.260 124.811 120.570 -0.032 0.000 2.331 320 I HA 0.372 4.429 4.170 -0.189 0.000 0.292 320 I C 1.157 177.255 176.117 -0.032 0.000 0.998 320 I CA -0.822 60.460 61.300 -0.031 0.000 1.267 320 I CB 1.292 39.274 38.000 -0.031 0.000 1.386 320 I HN 0.589 nan 8.210 nan 0.000 0.476 321 G N 3.757 112.538 108.800 -0.031 0.000 2.403 321 G HA2 0.502 4.348 3.960 -0.189 0.000 0.259 321 G HA3 0.502 4.348 3.960 -0.189 0.000 0.259 321 G C 0.109 174.985 174.900 -0.040 0.000 1.244 321 G CA 0.208 45.287 45.100 -0.035 0.000 0.849 321 G HN 0.823 nan 8.290 nan 0.000 0.532 322 A N 1.934 124.726 122.820 -0.047 0.000 2.290 322 A HA 0.971 5.178 4.320 -0.189 0.000 0.204 322 A C 0.549 178.105 177.584 -0.047 0.000 2.001 322 A CA 0.697 52.703 52.037 -0.051 0.000 1.643 322 A CB 0.158 19.125 19.000 -0.054 0.000 1.293 322 A HN 2.105 nan 8.150 nan 0.000 0.474 323 A N -0.600 122.191 122.820 -0.049 0.000 2.589 323 A HA 0.704 4.911 4.320 -0.189 0.000 0.296 323 A C -3.183 174.366 177.584 -0.059 0.000 1.062 323 A CA -1.363 50.653 52.037 -0.036 0.000 0.686 323 A CB 0.672 19.667 19.000 -0.009 0.000 1.282 323 A HN 0.245 nan 8.150 nan 0.000 0.404 324 P HA 0.368 nan 4.420 nan 0.000 0.269 324 P C -0.359 176.874 177.300 -0.112 0.000 1.217 324 P CA 0.630 63.581 63.100 -0.249 0.000 0.783 324 P CB -0.151 31.352 31.700 -0.327 0.000 0.898 325 F N -2.953 116.966 119.950 -0.052 0.000 3.040 325 F HA -0.200 4.213 4.527 -0.190 0.000 0.298 325 F C 0.400 176.201 175.800 0.002 0.000 0.948 325 F CA 0.147 58.127 58.000 -0.033 0.000 1.022 325 F CB -2.454 36.525 39.000 -0.034 0.000 1.023 325 F HN 0.156 nan 8.300 nan 0.000 0.742 326 L N 0.936 122.200 121.223 0.068 0.000 2.456 326 L HA 0.211 4.437 4.340 -0.189 0.000 0.272 326 L C 1.410 178.375 176.870 0.159 0.000 1.189 326 L CA 0.335 55.217 54.840 0.070 0.000 0.846 326 L CB 0.774 42.839 42.059 0.010 0.000 1.111 326 L HN 0.476 nan 8.230 nan 0.000 0.475 327 H N 0.776 119.859 119.070 0.022 0.000 5.180 327 H HA 0.150 4.592 4.556 -0.190 0.000 0.088 327 H C -0.823 174.517 175.328 0.020 0.000 1.297 327 H CA -0.033 56.039 56.048 0.039 0.000 0.486 327 H CB 0.824 30.607 29.762 0.034 0.000 1.599 327 H HN 0.777 nan 8.280 nan 0.000 0.117 328 D N 0.131 120.546 120.400 0.025 0.000 2.487 328 D HA 0.532 5.059 4.640 -0.189 0.000 0.262 328 D C 0.419 176.693 176.300 -0.044 0.000 1.130 328 D CA -0.213 53.761 54.000 -0.042 0.000 1.038 328 D CB 2.182 42.952 40.800 -0.050 0.000 1.142 328 D HN 0.737 nan 8.370 nan 0.000 0.575 329 G N -2.879 105.919 108.800 -0.004 0.000 2.337 329 G HA2 0.569 4.415 3.960 -0.189 0.000 0.298 329 G HA3 0.569 4.415 3.960 -0.189 0.000 0.298 329 G C -1.000 173.937 174.900 0.063 0.000 1.335 329 G CA -0.255 44.792 45.100 -0.088 0.000 0.875 329 G HN 0.982 nan 8.290 nan 0.000 0.579 330 G N -1.992 106.833 108.800 0.041 0.000 2.600 330 G HA2 0.565 4.412 3.960 -0.189 0.000 0.293 330 G HA3 0.565 4.412 3.960 -0.189 0.000 0.293 330 G C -1.085 174.025 174.900 0.350 0.000 1.408 330 G CA -0.814 44.444 45.100 0.263 0.000 0.782 330 G HN 0.735 nan 8.290 nan 0.000 0.482 331 W N 1.130 122.802 121.300 0.619 0.000 2.123 331 W HA 0.303 4.848 4.660 -0.192 0.000 0.351 331 W C 1.073 177.829 176.519 0.395 0.000 1.292 331 W CA -0.281 57.299 57.345 0.391 0.000 1.263 331 W CB 0.712 30.257 29.460 0.142 0.000 1.165 331 W HN 0.619 nan 8.180 nan 0.000 0.590 332 D N -0.275 120.512 120.400 0.645 0.000 2.447 332 D HA 0.008 4.535 4.640 -0.189 0.000 0.265 332 D C 1.344 177.918 176.300 0.456 0.000 1.250 332 D CA 0.257 54.554 54.000 0.495 0.000 1.046 332 D CB 0.426 41.496 40.800 0.450 0.000 1.095 332 D HN 0.391 nan 8.370 nan 0.000 0.555 333 S N -0.155 115.734 115.700 0.316 0.000 2.374 333 S HA -0.256 4.100 4.470 -0.189 0.000 0.227 333 S C 1.945 176.557 174.600 0.021 0.000 1.037 333 S CA 1.802 60.096 58.200 0.156 0.000 1.024 333 S CB -1.048 62.211 63.200 0.098 0.000 0.861 333 S HN 0.642 nan 8.310 nan 0.000 0.456 334 S N 0.454 116.200 115.700 0.078 0.000 2.522 334 S HA -0.008 4.349 4.470 -0.189 0.000 0.227 334 S C 0.566 175.107 174.600 -0.099 0.000 0.986 334 S CA 0.564 58.745 58.200 -0.032 0.000 0.929 334 S CB -1.096 62.146 63.200 0.070 0.000 0.769 334 S HN 0.782 nan 8.310 nan 0.000 0.529 335 H N -0.296 118.663 119.070 -0.185 0.000 2.941 335 H HA -0.104 4.338 4.556 -0.190 0.000 0.279 335 H C 1.326 176.129 175.328 -0.875 0.000 1.247 335 H CA 0.622 56.279 56.048 -0.651 0.000 1.129 335 H CB -0.784 28.477 29.762 -0.836 0.000 1.313 335 H HN 0.336 nan 8.280 nan 0.000 0.384 336 R N 0.121 120.453 120.500 -0.280 0.000 2.276 336 R HA 0.087 4.314 4.340 -0.189 0.000 0.195 336 R C -0.405 175.755 176.300 -0.234 0.000 0.908 336 R CA 0.612 56.478 56.100 -0.389 0.000 1.083 336 R CB 0.724 30.770 30.300 -0.423 0.000 1.182 336 R HN 0.151 nan 8.270 nan 0.000 0.608 337 Y N 0.136 120.627 120.300 0.319 0.000 2.335 337 Y HA 0.263 4.706 4.550 -0.178 0.000 0.339 337 Y C -0.438 175.746 175.900 0.473 0.000 0.987 337 Y CA -1.090 57.204 58.100 0.324 0.000 1.140 337 Y CB 0.924 39.484 38.460 0.167 0.000 1.173 337 Y HN -0.111 nan 8.280 nan 0.000 0.486 338 F N 5.723 125.841 119.950 0.280 0.000 2.404 338 F HA 0.354 4.768 4.527 -0.189 0.000 0.359 338 F C -0.612 175.047 175.800 -0.235 0.000 1.134 338 F CA -1.645 56.304 58.000 -0.086 0.000 1.160 338 F CB 0.396 39.231 39.000 -0.276 0.000 1.186 338 F HN 0.330 nan 8.300 nan 0.000 0.526 339 M N 6.312 125.476 119.600 -0.727 0.000 2.261 339 M HA 0.161 4.528 4.480 -0.189 0.000 0.349 339 M C 0.206 175.770 176.300 -1.226 0.000 1.305 339 M CA 0.032 54.646 55.300 -1.144 0.000 1.240 339 M CB -0.127 31.216 32.600 -2.095 0.000 1.394 339 M HN 0.589 nan 8.290 nan 0.000 0.438 340 T N 1.846 115.779 114.554 -1.034 0.000 2.940 340 T HA 0.840 5.077 4.350 -0.189 0.000 0.288 340 T C -0.900 173.598 174.700 -0.337 0.000 1.033 340 T CA -0.608 61.024 62.100 -0.779 0.000 1.033 340 T CB 1.553 69.884 68.868 -0.896 0.000 1.079 340 T HN 0.699 nan 8.240 nan 0.000 0.496 341 A N 2.098 124.823 122.820 -0.157 0.000 2.303 341 A HA 0.763 4.969 4.320 -0.189 0.000 0.320 341 A C 0.246 177.835 177.584 0.009 0.000 1.192 341 A CA -0.616 51.400 52.037 -0.034 0.000 0.821 341 A CB 0.722 19.734 19.000 0.020 0.000 1.188 341 A HN 1.157 nan 8.150 nan 0.000 0.492 342 A N 3.402 126.234 122.820 0.020 0.000 3.094 342 A HA 0.372 4.579 4.320 -0.189 0.000 0.288 342 A C 1.044 178.684 177.584 0.094 0.000 1.519 342 A CA -0.268 51.811 52.037 0.070 0.000 1.227 342 A CB -0.989 18.038 19.000 0.045 0.000 1.175 342 A HN 0.996 nan 8.150 nan 0.000 0.568 343 N N 1.959 120.710 118.700 0.085 0.000 2.011 343 N HA -0.309 4.317 4.740 -0.189 0.000 0.199 343 N C 0.816 176.340 175.510 0.023 0.000 1.047 343 N CA 2.534 55.609 53.050 0.042 0.000 0.863 343 N CB -0.843 37.635 38.487 -0.015 0.000 1.056 343 N HN 0.685 nan 8.380 nan 0.000 0.427 344 N N -0.957 117.729 118.700 -0.023 0.000 2.609 344 N HA 0.063 4.690 4.740 -0.189 0.000 0.190 344 N C 0.318 175.831 175.510 0.004 0.000 1.157 344 N CA 0.529 53.495 53.050 -0.139 0.000 0.918 344 N CB 0.046 38.186 38.487 -0.578 0.000 0.978 344 N HN 0.251 nan 8.380 nan 0.000 0.448 345 S N 0.226 115.986 115.700 0.100 0.000 2.524 345 S HA 0.089 4.445 4.470 -0.189 0.000 0.215 345 S C 0.170 174.811 174.600 0.068 0.000 0.986 345 S CA -0.344 57.918 58.200 0.102 0.000 0.911 345 S CB 0.293 63.567 63.200 0.124 0.000 0.805 345 S HN 0.305 nan 8.310 nan 0.000 0.501 346 N N 1.550 120.289 118.700 0.067 0.000 2.754 346 N HA -0.138 4.489 4.740 -0.189 0.000 0.248 346 N C -0.648 174.913 175.510 0.085 0.000 1.093 346 N CA 1.092 54.191 53.050 0.080 0.000 0.699 346 N CB -1.080 37.443 38.487 0.061 0.000 1.016 346 N HN 0.529 nan 8.380 nan 0.000 0.552 347 K N -0.701 119.744 120.400 0.074 0.000 2.444 347 K HA 0.717 4.923 4.320 -0.189 0.000 0.252 347 K C -0.581 176.044 176.600 0.041 0.000 0.993 347 K CA -0.781 55.540 56.287 0.057 0.000 0.847 347 K CB 2.583 35.103 32.500 0.034 0.000 1.340 347 K HN -0.143 nan 8.250 nan 0.000 0.446 348 V N 1.578 121.505 119.914 0.023 0.000 2.443 348 V HA 0.413 4.420 4.120 -0.189 0.000 0.293 348 V C -0.735 175.292 176.094 -0.111 0.000 1.021 348 V CA -0.763 61.519 62.300 -0.030 0.000 0.848 348 V CB 1.424 33.278 31.823 0.051 0.000 0.998 348 V HN 0.909 nan 8.190 nan 0.000 0.424 349 A N 5.180 127.895 122.820 -0.176 0.000 2.331 349 A HA 0.732 4.938 4.320 -0.189 0.000 0.283 349 A C -0.413 176.983 177.584 -0.314 0.000 1.142 349 A CA -0.344 51.571 52.037 -0.204 0.000 0.812 349 A CB 0.910 19.813 19.000 -0.161 0.000 1.074 349 A HN 0.704 nan 8.150 nan 0.000 0.497 350 V N 4.428 124.141 119.914 -0.336 0.000 2.311 350 V HA 0.232 4.239 4.120 -0.189 0.000 0.275 350 V C -0.651 175.277 176.094 -0.276 0.000 1.022 350 V CA -0.382 61.652 62.300 -0.443 0.000 0.830 350 V CB 0.711 32.015 31.823 -0.864 0.000 1.012 350 V HN 0.674 nan 8.190 nan 0.000 0.452 351 I N 4.010 124.514 120.570 -0.110 0.000 2.304 351 I HA 0.325 4.382 4.170 -0.189 0.000 0.291 351 I C 0.276 176.459 176.117 0.110 0.000 1.018 351 I CA -0.904 60.412 61.300 0.027 0.000 1.260 351 I CB 1.180 39.267 38.000 0.145 0.000 1.390 351 I HN 0.525 nan 8.210 nan 0.000 0.475 352 D N 4.189 124.631 120.400 0.070 0.000 2.352 352 D HA 0.051 4.577 4.640 -0.189 0.000 0.245 352 D C 1.171 177.467 176.300 -0.007 0.000 1.224 352 D CA 0.135 54.137 54.000 0.003 0.000 0.879 352 D CB 0.988 41.831 40.800 0.071 0.000 1.057 352 D HN 0.556 nan 8.370 nan 0.000 0.491 353 S N 3.278 118.977 115.700 -0.002 0.000 2.489 353 S HA -0.102 4.255 4.470 -0.189 0.000 0.228 353 S C 1.575 176.198 174.600 0.040 0.000 0.995 353 S CA 0.493 58.735 58.200 0.070 0.000 0.934 353 S CB 0.243 63.566 63.200 0.206 0.000 0.771 353 S HN 0.488 nan 8.310 nan 0.000 0.522 354 K N 1.186 121.553 120.400 -0.055 0.000 2.056 354 K HA 0.023 4.229 4.320 -0.189 0.000 0.205 354 K C 0.919 177.599 176.600 0.133 0.000 1.035 354 K CA 1.294 57.569 56.287 -0.020 0.000 0.955 354 K CB -0.144 32.288 32.500 -0.114 0.000 0.769 354 K HN 0.153 nan 8.250 nan 0.000 0.447 355 D N 0.898 121.327 120.400 0.048 0.000 2.363 355 D HA -0.019 4.507 4.640 -0.189 0.000 0.220 355 D C -0.452 175.861 176.300 0.021 0.000 0.994 355 D CA 0.402 54.432 54.000 0.051 0.000 0.890 355 D CB 0.035 40.867 40.800 0.054 0.000 0.906 355 D HN 0.224 nan 8.370 nan 0.000 0.530 356 R N 0.376 120.886 120.500 0.018 0.000 3.146 356 R HA -0.225 4.002 4.340 -0.189 0.000 0.250 356 R C -0.263 176.025 176.300 -0.020 0.000 0.912 356 R CA 0.471 56.561 56.100 -0.017 0.000 0.633 356 R CB -2.084 28.167 30.300 -0.083 0.000 1.180 356 R HN 0.393 nan 8.270 nan 0.000 0.464 357 R N -1.066 119.433 120.500 -0.002 0.000 2.692 357 R HA 0.437 4.664 4.340 -0.189 0.000 0.269 357 R C -1.252 175.040 176.300 -0.013 0.000 1.030 357 R CA -1.338 54.758 56.100 -0.007 0.000 0.882 357 R CB 0.779 31.081 30.300 0.004 0.000 1.250 357 R HN 0.009 nan 8.270 nan 0.000 0.465 358 L N 2.246 123.449 121.223 -0.033 0.000 2.456 358 L HA 0.205 4.432 4.340 -0.189 0.000 0.277 358 L C 0.463 177.278 176.870 -0.092 0.000 1.124 358 L CA 0.688 55.487 54.840 -0.068 0.000 0.880 358 L CB 1.107 43.127 42.059 -0.064 0.000 1.192 358 L HN 0.824 nan 8.230 nan 0.000 0.463 359 S N 3.611 119.207 115.700 -0.175 0.000 2.387 359 S HA 0.416 4.772 4.470 -0.189 0.000 0.226 359 S C 0.558 174.961 174.600 -0.328 0.000 1.026 359 S CA 0.680 58.722 58.200 -0.264 0.000 0.972 359 S CB -0.144 62.736 63.200 -0.533 0.000 0.814 359 S HN 0.917 nan 8.310 nan 0.000 0.477 360 A N -0.217 122.385 122.820 -0.362 0.000 2.549 360 A HA 0.614 4.820 4.320 -0.189 0.000 0.291 360 A C -2.097 175.387 177.584 -0.166 0.000 1.034 360 A CA -0.768 51.142 52.037 -0.210 0.000 0.655 360 A CB 0.384 19.296 19.000 -0.148 0.000 1.299 360 A HN 0.162 nan 8.150 nan 0.000 0.427 361 L N 1.646 122.828 121.223 -0.069 0.000 2.353 361 L HA 0.452 4.679 4.340 -0.189 0.000 0.270 361 L C -0.854 176.016 176.870 0.000 0.000 1.003 361 L CA -0.833 53.980 54.840 -0.046 0.000 0.862 361 L CB 1.539 43.582 42.059 -0.027 0.000 1.221 361 L HN 0.524 nan 8.230 nan 0.000 0.430 362 V N 1.804 121.724 119.914 0.010 0.000 2.461 362 V HA 0.171 4.178 4.120 -0.189 0.000 0.275 362 V C 0.192 176.323 176.094 0.061 0.000 1.047 362 V CA -0.676 61.659 62.300 0.057 0.000 0.955 362 V CB 1.242 33.120 31.823 0.093 0.000 0.988 362 V HN 0.537 nan 8.190 nan 0.000 0.471 363 D N 3.619 124.055 120.400 0.061 0.000 2.348 363 D HA 0.414 4.941 4.640 -0.189 0.000 0.253 363 D C 0.205 176.554 176.300 0.081 0.000 1.161 363 D CA 0.249 54.286 54.000 0.061 0.000 0.876 363 D CB 2.122 42.948 40.800 0.045 0.000 1.160 363 D HN 0.502 nan 8.370 nan 0.000 0.459 364 V N -0.199 119.781 119.914 0.109 0.000 3.271 364 V HA 0.835 4.842 4.120 -0.189 0.000 0.305 364 V C 0.725 176.881 176.094 0.103 0.000 1.303 364 V CA -0.795 61.602 62.300 0.161 0.000 1.038 364 V CB 0.578 32.583 31.823 0.304 0.000 1.197 364 V HN 0.466 nan 8.190 nan 0.000 0.478 365 G N -0.498 108.321 108.800 0.030 0.000 2.611 365 G HA2 0.398 4.244 3.960 -0.189 0.000 0.273 365 G HA3 0.398 4.244 3.960 -0.189 0.000 0.273 365 G C -0.461 174.404 174.900 -0.059 0.000 1.305 365 G CA -0.823 44.063 45.100 -0.357 0.000 1.010 365 G HN 0.837 nan 8.290 nan 0.000 0.509 366 K N 0.738 121.081 120.400 -0.095 0.000 2.383 366 K HA 0.330 4.537 4.320 -0.189 0.000 0.286 366 K C 0.182 176.874 176.600 0.153 0.000 1.051 366 K CA 0.527 56.833 56.287 0.032 0.000 0.974 366 K CB 0.325 32.818 32.500 -0.012 0.000 0.968 366 K HN 0.483 nan 8.250 nan 0.000 0.475 367 T N 3.177 117.811 114.554 0.133 0.000 3.429 367 T HA -0.100 4.136 4.350 -0.189 0.000 0.417 367 T C -2.275 172.516 174.700 0.152 0.000 0.767 367 T CA -0.342 61.819 62.100 0.103 0.000 2.141 367 T CB -1.539 67.348 68.868 0.032 0.000 1.699 367 T HN 0.520 nan 8.240 nan 0.000 0.685 368 P HA 0.105 nan 4.420 nan 0.000 0.268 368 P C -0.228 177.037 177.300 -0.058 0.000 1.205 368 P CA 0.218 63.212 63.100 -0.177 0.000 0.771 368 P CB 0.577 32.200 31.700 -0.129 0.000 0.858 369 H N 4.621 123.568 119.070 -0.205 0.000 2.538 369 H HA 0.232 4.675 4.556 -0.189 0.000 0.239 369 H C -2.184 173.060 175.328 -0.140 0.000 1.401 369 H CA -1.847 54.128 56.048 -0.122 0.000 1.499 369 H CB 1.125 30.801 29.762 -0.143 0.000 1.624 369 H HN 0.147 nan 8.280 nan 0.000 0.524 370 P HA 0.035 nan 4.420 nan 0.000 0.222 370 P C 1.162 178.505 177.300 0.072 0.000 1.153 370 P CA 1.768 64.846 63.100 -0.037 0.000 0.798 370 P CB 0.786 32.551 31.700 0.109 0.000 0.796 371 G N 0.755 109.571 108.800 0.027 0.000 2.595 371 G HA2 -0.369 3.478 3.960 -0.189 0.000 0.297 371 G HA3 -0.369 3.478 3.960 -0.189 0.000 0.297 371 G C 1.080 176.070 174.900 0.151 0.000 1.181 371 G CA 0.487 45.726 45.100 0.233 0.000 0.963 371 G HN 0.307 nan 8.290 nan 0.000 0.541 372 R N 1.560 122.108 120.500 0.080 0.000 2.362 372 R HA 0.465 4.692 4.340 -0.189 0.000 0.227 372 R C 1.266 177.609 176.300 0.071 0.000 0.905 372 R CA 1.169 57.191 56.100 -0.129 0.000 1.067 372 R CB 0.301 30.184 30.300 -0.694 0.000 1.078 372 R HN 2.023 nan 8.270 nan 0.000 0.516 373 G N 0.445 109.296 108.800 0.085 0.000 2.760 373 G HA2 -0.081 3.765 3.960 -0.189 0.000 0.246 373 G HA3 -0.081 3.765 3.960 -0.189 0.000 0.246 373 G C -1.025 173.847 174.900 -0.047 0.000 1.359 373 G CA -0.493 44.488 45.100 -0.199 0.000 0.861 373 G HN 0.341 nan 8.290 nan 0.000 0.541 374 A N 0.384 123.055 122.820 -0.249 0.000 2.357 374 A HA 0.739 4.946 4.320 -0.189 0.000 0.295 374 A C -0.276 177.398 177.584 0.151 0.000 1.121 374 A CA -0.564 51.535 52.037 0.103 0.000 0.742 374 A CB 1.020 20.116 19.000 0.160 0.000 1.181 374 A HN 0.778 nan 8.150 nan 0.000 0.454 375 N N 1.959 120.849 118.700 0.315 0.000 2.421 375 N HA 0.769 5.395 4.740 -0.189 0.000 0.285 375 N C -1.073 174.629 175.510 0.321 0.000 1.027 375 N CA 0.205 53.424 53.050 0.282 0.000 0.918 375 N CB 1.659 40.341 38.487 0.325 0.000 1.152 375 N HN 0.667 nan 8.380 nan 0.000 0.485 376 F N -1.812 118.208 119.950 0.118 0.000 2.719 376 F HA 0.439 4.857 4.527 -0.182 0.000 0.309 376 F C -1.355 174.494 175.800 0.081 0.000 1.138 376 F CA -1.203 56.847 58.000 0.083 0.000 0.943 376 F CB 0.550 39.595 39.000 0.075 0.000 1.304 376 F HN -0.006 nan 8.300 nan 0.000 0.445 377 V N 3.198 123.260 119.914 0.247 0.000 2.408 377 V HA 0.174 4.180 4.120 -0.189 0.000 0.267 377 V C 0.095 176.333 176.094 0.240 0.000 1.047 377 V CA -0.261 62.117 62.300 0.129 0.000 0.937 377 V CB 0.274 32.155 31.823 0.096 0.000 0.999 377 V HN 0.844 nan 8.190 nan 0.000 0.472 378 H N 8.919 128.017 119.070 0.047 0.000 2.610 378 H HA 0.214 4.659 4.556 -0.186 0.000 0.336 378 H C -1.476 173.869 175.328 0.029 0.000 1.087 378 H CA -1.737 54.382 56.048 0.119 0.000 1.405 378 H CB 2.243 32.042 29.762 0.063 0.000 1.460 378 H HN 0.385 nan 8.280 nan 0.000 0.538 379 P HA -0.172 nan 4.420 nan 0.000 0.216 379 P C 1.149 178.462 177.300 0.021 0.000 1.150 379 P CA 1.511 64.573 63.100 -0.062 0.000 0.837 379 P CB 0.558 32.167 31.700 -0.151 0.000 0.786 380 K N -1.201 119.261 120.400 0.103 0.000 2.214 380 K HA -0.022 4.184 4.320 -0.189 0.000 0.201 380 K C 1.627 178.093 176.600 -0.224 0.000 1.049 380 K CA 0.488 56.698 56.287 -0.128 0.000 0.978 380 K CB -0.012 32.210 32.500 -0.463 0.000 0.842 380 K HN -0.035 nan 8.250 nan 0.000 0.474 381 Y N 0.918 121.167 120.300 -0.085 0.000 2.466 381 Y HA 0.293 4.719 4.550 -0.206 0.000 0.272 381 Y C 1.063 176.736 175.900 -0.379 0.000 1.169 381 Y CA 0.106 57.879 58.100 -0.546 0.000 1.285 381 Y CB 0.095 38.009 38.460 -0.911 0.000 1.078 381 Y HN 0.349 nan 8.280 nan 0.000 0.523 382 G N 0.690 109.398 108.800 -0.153 0.000 2.645 382 G HA2 -0.261 3.585 3.960 -0.189 0.000 0.246 382 G HA3 -0.261 3.585 3.960 -0.189 0.000 0.246 382 G C -2.699 172.045 174.900 -0.260 0.000 1.322 382 G CA -1.169 43.663 45.100 -0.446 0.000 0.898 382 G HN 0.090 nan 8.290 nan 0.000 0.573 383 P HA 0.400 nan 4.420 nan 0.000 0.263 383 P C 0.183 177.384 177.300 -0.165 0.000 1.195 383 P CA 0.621 63.637 63.100 -0.139 0.000 0.762 383 P CB 0.970 32.631 31.700 -0.065 0.000 0.799 384 V N 0.919 120.701 119.914 -0.221 0.000 3.130 384 V HA 0.722 4.729 4.120 -0.189 0.000 0.310 384 V C -1.744 174.289 176.094 -0.102 0.000 1.158 384 V CA -1.208 60.967 62.300 -0.207 0.000 1.029 384 V CB 2.379 33.979 31.823 -0.371 0.000 1.057 384 V HN 0.545 nan 8.190 nan 0.000 0.436 385 W N 2.606 123.832 121.300 -0.124 0.000 2.656 385 W HA 0.812 5.356 4.660 -0.194 0.000 0.327 385 W C -0.104 176.419 176.519 0.007 0.000 1.041 385 W CA 0.134 57.483 57.345 0.007 0.000 1.229 385 W CB 2.071 31.598 29.460 0.112 0.000 1.397 385 W HN 1.062 nan 8.180 nan 0.000 0.479 386 S N 3.549 118.942 115.700 -0.511 0.000 2.638 386 S HA 0.881 5.237 4.470 -0.189 0.000 0.302 386 S C -0.743 173.386 174.600 -0.785 0.000 1.096 386 S CA -0.748 57.196 58.200 -0.427 0.000 0.953 386 S CB 2.066 65.234 63.200 -0.052 0.000 1.107 386 S HN 0.586 nan 8.310 nan 0.000 0.503 387 T N 0.260 114.550 114.554 -0.441 0.000 2.942 387 T HA 0.635 4.871 4.350 -0.189 0.000 0.327 387 T C -0.461 174.117 174.700 -0.203 0.000 1.360 387 T CA -0.287 61.578 62.100 -0.393 0.000 1.055 387 T CB 1.256 69.870 68.868 -0.424 0.000 1.261 387 T HN 1.165 nan 8.240 nan 0.000 0.485 388 S N 2.668 118.275 115.700 -0.155 0.000 2.718 388 S HA 0.859 5.215 4.470 -0.189 0.000 0.292 388 S C -0.638 173.834 174.600 -0.213 0.000 1.125 388 S CA -0.509 57.682 58.200 -0.015 0.000 1.013 388 S CB 0.750 63.985 63.200 0.058 0.000 1.192 388 S HN 0.869 nan 8.310 nan 0.000 0.535 389 H N -1.778 117.312 119.070 0.033 0.000 2.908 389 H HA 0.585 5.027 4.556 -0.191 0.000 0.350 389 H C 0.037 175.377 175.328 0.020 0.000 1.217 389 H CA -0.820 55.251 56.048 0.037 0.000 1.168 389 H CB 1.035 30.815 29.762 0.030 0.000 1.891 389 H HN 0.390 nan 8.280 nan 0.000 0.566 390 L N -0.502 120.808 121.223 0.145 0.000 2.537 390 L HA 0.257 4.483 4.340 -0.189 0.000 0.224 390 L C 2.060 178.963 176.870 0.056 0.000 1.065 390 L CA 0.781 55.657 54.840 0.061 0.000 0.860 390 L CB 0.341 42.404 42.059 0.006 0.000 1.086 390 L HN 0.846 nan 8.230 nan 0.000 0.482 391 G N -0.271 108.574 108.800 0.076 0.000 2.777 391 G HA2 0.007 3.854 3.960 -0.189 0.000 0.211 391 G HA3 0.007 3.854 3.960 -0.189 0.000 0.211 391 G C -0.177 174.732 174.900 0.016 0.000 1.149 391 G CA 0.635 45.754 45.100 0.031 0.000 0.785 391 G HN 0.494 nan 8.290 nan 0.000 0.536 392 D N -3.751 116.668 120.400 0.032 0.000 2.768 392 D HA 0.394 4.921 4.640 -0.189 0.000 0.327 392 D C 0.687 177.007 176.300 0.033 0.000 1.302 392 D CA -0.102 53.899 54.000 0.000 0.000 0.897 392 D CB 0.473 41.236 40.800 -0.063 0.000 1.420 392 D HN -0.094 nan 8.370 nan 0.000 0.494 393 G N -0.911 107.906 108.800 0.027 0.000 3.233 393 G HA2 0.309 4.155 3.960 -0.189 0.000 0.227 393 G HA3 0.309 4.155 3.960 -0.189 0.000 0.227 393 G C 0.367 175.316 174.900 0.081 0.000 1.175 393 G CA 0.281 45.419 45.100 0.063 0.000 0.781 393 G HN 0.639 nan 8.290 nan 0.000 0.542 394 S N -0.296 115.421 115.700 0.029 0.000 2.624 394 S HA 0.656 5.013 4.470 -0.189 0.000 0.263 394 S C -0.497 174.207 174.600 0.172 0.000 1.287 394 S CA -0.404 57.816 58.200 0.032 0.000 0.990 394 S CB 1.745 64.871 63.200 -0.124 0.000 0.950 394 S HN -0.009 nan 8.310 nan 0.000 0.561 395 I N 1.441 122.090 120.570 0.131 0.000 2.531 395 I HA 0.265 4.322 4.170 -0.189 0.000 0.283 395 I C -0.546 175.631 176.117 0.099 0.000 1.083 395 I CA -0.005 61.367 61.300 0.119 0.000 1.071 395 I CB 2.039 40.027 38.000 -0.020 0.000 1.210 395 I HN 0.631 nan 8.210 nan 0.000 0.450 396 S N 6.710 122.511 115.700 0.168 0.000 2.513 396 S HA 0.609 4.966 4.470 -0.189 0.000 0.276 396 S C -0.237 174.391 174.600 0.046 0.000 1.254 396 S CA -0.531 57.741 58.200 0.119 0.000 1.053 396 S CB 0.634 63.957 63.200 0.205 0.000 0.958 396 S HN 0.343 nan 8.310 nan 0.000 0.491 397 L N 4.446 125.675 121.223 0.010 0.000 2.294 397 L HA 0.547 4.773 4.340 -0.189 0.000 0.283 397 L C -0.689 176.148 176.870 -0.055 0.000 1.015 397 L CA -0.347 54.470 54.840 -0.038 0.000 0.831 397 L CB 0.663 42.685 42.059 -0.062 0.000 1.217 397 L HN 0.503 nan 8.230 nan 0.000 0.420 398 I N 2.356 122.953 120.570 0.046 0.000 2.378 398 I HA 0.363 4.420 4.170 -0.189 0.000 0.291 398 I C 0.926 177.065 176.117 0.037 0.000 0.992 398 I CA -0.482 60.869 61.300 0.086 0.000 1.154 398 I CB 1.869 40.026 38.000 0.261 0.000 1.315 398 I HN 0.593 nan 8.210 nan 0.000 0.448 399 G N 2.679 111.438 108.800 -0.067 0.000 2.398 399 G HA2 0.324 4.170 3.960 -0.189 0.000 0.246 399 G HA3 0.324 4.170 3.960 -0.189 0.000 0.246 399 G C 0.558 175.333 174.900 -0.208 0.000 1.289 399 G CA -0.137 44.878 45.100 -0.141 0.000 0.869 399 G HN 0.742 nan 8.290 nan 0.000 0.543 400 T N -1.146 113.283 114.554 -0.209 0.000 3.296 400 T HA 0.225 4.462 4.350 -0.189 0.000 0.285 400 T C -0.154 174.328 174.700 -0.363 0.000 1.014 400 T CA -0.422 61.513 62.100 -0.275 0.000 0.920 400 T CB 0.554 69.508 68.868 0.143 0.000 1.143 400 T HN 0.353 nan 8.240 nan 0.000 0.522 401 D N 1.552 121.723 120.400 -0.381 0.000 2.434 401 D HA 0.406 4.933 4.640 -0.189 0.000 0.275 401 D C -1.994 174.174 176.300 -0.220 0.000 1.172 401 D CA -2.442 51.448 54.000 -0.183 0.000 0.916 401 D CB 1.787 42.598 40.800 0.019 0.000 1.041 401 D HN 0.003 nan 8.370 nan 0.000 0.501 402 P HA -0.104 nan 4.420 nan 0.000 0.218 402 P C 1.118 178.368 177.300 -0.082 0.000 1.149 402 P CA 1.045 63.997 63.100 -0.247 0.000 0.817 402 P CB 0.538 32.162 31.700 -0.127 0.000 0.785 403 K N -0.672 119.719 120.400 -0.015 0.000 1.975 403 K HA -0.032 4.174 4.320 -0.189 0.000 0.210 403 K C 1.483 178.069 176.600 -0.024 0.000 1.041 403 K CA 1.340 57.630 56.287 0.005 0.000 0.942 403 K CB -0.332 32.192 32.500 0.040 0.000 0.729 403 K HN 0.025 nan 8.250 nan 0.000 0.439 404 N N 0.173 118.871 118.700 -0.002 0.000 2.398 404 N HA -0.014 4.612 4.740 -0.189 0.000 0.188 404 N C -0.394 174.947 175.510 -0.282 0.000 1.122 404 N CA 0.673 53.670 53.050 -0.089 0.000 0.866 404 N CB 0.487 38.954 38.487 -0.034 0.000 0.970 404 N HN 0.248 nan 8.380 nan 0.000 0.462 405 H N -1.307 117.724 119.070 -0.065 0.000 2.823 405 H HA 0.190 4.632 4.556 -0.190 0.000 0.222 405 H C -1.771 173.455 175.328 -0.171 0.000 1.414 405 H CA -1.005 55.002 56.048 -0.068 0.000 1.289 405 H CB 1.243 31.034 29.762 0.050 0.000 1.970 405 H HN 0.009 nan 8.280 nan 0.000 0.517 406 P HA -0.220 nan 4.420 nan 0.000 0.218 406 P C 1.594 178.768 177.300 -0.211 0.000 1.149 406 P CA 1.099 64.096 63.100 -0.173 0.000 0.817 406 P CB 0.501 32.123 31.700 -0.129 0.000 0.785 407 Q N -0.831 118.797 119.800 -0.286 0.000 2.364 407 Q HA -0.159 4.068 4.340 -0.189 0.000 0.207 407 Q C 0.877 176.638 176.000 -0.399 0.000 0.970 407 Q CA 1.634 57.204 55.803 -0.389 0.000 0.888 407 Q CB -1.106 27.328 28.738 -0.507 0.000 0.951 407 Q HN 0.324 nan 8.270 nan 0.000 0.469 408 Y N 0.182 120.435 120.300 -0.078 0.000 2.445 408 Y HA 0.536 5.061 4.550 -0.041 0.000 0.247 408 Y C 0.958 176.701 175.900 -0.262 0.000 1.129 408 Y CA -0.922 57.098 58.100 -0.134 0.000 1.251 408 Y CB -0.019 38.395 38.460 -0.076 0.000 1.176 408 Y HN 0.123 nan 8.280 nan 0.000 0.522 409 A N -0.167 122.481 122.820 -0.286 0.000 2.524 409 A HA 0.171 4.377 4.320 -0.189 0.000 0.250 409 A C 0.074 177.291 177.584 -0.612 0.000 1.078 409 A CA 0.013 51.573 52.037 -0.795 0.000 0.761 409 A CB -0.933 17.399 19.000 -1.113 0.000 1.012 409 A HN 0.741 nan 8.150 nan 0.000 0.500 410 W N 0.261 121.527 121.300 -0.057 0.000 3.834 410 W HA -0.216 4.362 4.660 -0.137 0.000 0.320 410 W C 0.321 176.824 176.519 -0.026 0.000 1.201 410 W CA 0.600 57.913 57.345 -0.053 0.000 0.701 410 W CB -1.558 27.865 29.460 -0.061 0.000 2.264 410 W HN 0.660 nan 8.180 nan 0.000 1.413 411 K N 1.118 121.584 120.400 0.110 0.000 2.259 411 K HA 0.334 4.540 4.320 -0.189 0.000 0.249 411 K C 0.267 176.869 176.600 0.005 0.000 0.942 411 K CA -1.192 55.126 56.287 0.053 0.000 0.816 411 K CB 1.608 34.120 32.500 0.020 0.000 1.155 411 K HN -0.192 nan 8.250 nan 0.000 0.428 412 K N 3.437 123.837 120.400 -0.001 0.000 2.155 412 K HA 0.040 4.247 4.320 -0.189 0.000 0.240 412 K C 0.754 177.271 176.600 -0.138 0.000 1.193 412 K CA 0.003 56.272 56.287 -0.030 0.000 1.104 412 K CB 0.181 32.689 32.500 0.013 0.000 1.558 412 K HN 0.427 nan 8.250 nan 0.000 0.313 413 V N 2.250 121.995 119.914 -0.282 0.000 2.469 413 V HA -0.179 3.827 4.120 -0.189 0.000 0.251 413 V C 0.729 176.421 176.094 -0.669 0.000 1.064 413 V CA 2.081 64.002 62.300 -0.632 0.000 1.066 413 V CB -0.145 31.059 31.823 -1.032 0.000 0.667 413 V HN 0.803 nan 8.190 nan 0.000 0.461 414 A N -1.563 121.030 122.820 -0.379 0.000 2.564 414 A HA 0.752 4.959 4.320 -0.189 0.000 0.291 414 A C -0.974 176.581 177.584 -0.049 0.000 1.102 414 A CA -0.615 51.325 52.037 -0.162 0.000 0.660 414 A CB 1.536 20.500 19.000 -0.061 0.000 1.283 414 A HN 0.231 nan 8.150 nan 0.000 0.430 415 E N -0.395 119.814 120.200 0.015 0.000 2.340 415 E HA 0.709 4.946 4.350 -0.189 0.000 0.273 415 E C -1.613 175.016 176.600 0.049 0.000 0.891 415 E CA -0.517 55.901 56.400 0.029 0.000 0.757 415 E CB 2.168 31.883 29.700 0.026 0.000 1.231 415 E HN 0.576 nan 8.360 nan 0.000 0.439 416 L N 1.635 122.872 121.223 0.024 0.000 2.309 416 L HA 0.530 4.757 4.340 -0.189 0.000 0.261 416 L C -0.735 176.206 176.870 0.118 0.000 1.021 416 L CA -1.148 53.703 54.840 0.019 0.000 0.823 416 L CB 1.884 43.762 42.059 -0.302 0.000 1.366 416 L HN 0.340 nan 8.230 nan 0.000 0.423 417 Q N 0.785 120.758 119.800 0.288 0.000 2.340 417 Q HA 0.531 4.757 4.340 -0.189 0.000 0.268 417 Q C -0.189 176.114 176.000 0.504 0.000 1.031 417 Q CA -0.369 55.619 55.803 0.309 0.000 0.804 417 Q CB 2.485 31.368 28.738 0.243 0.000 1.286 417 Q HN 0.837 nan 8.270 nan 0.000 0.448 418 G N 0.541 109.520 108.800 0.297 0.000 2.671 418 G HA2 0.171 4.018 3.960 -0.189 0.000 0.275 418 G HA3 0.171 4.018 3.960 -0.189 0.000 0.275 418 G C 0.440 175.314 174.900 -0.044 0.000 1.368 418 G CA -0.288 44.832 45.100 0.032 0.000 1.044 418 G HN 0.546 nan 8.290 nan 0.000 0.543 419 Q N -0.615 119.021 119.800 -0.273 0.000 2.364 419 Q HA 0.207 4.433 4.340 -0.189 0.000 0.209 419 Q C 1.101 177.111 176.000 0.017 0.000 0.977 419 Q CA 0.891 56.653 55.803 -0.069 0.000 0.885 419 Q CB 0.014 28.674 28.738 -0.130 0.000 0.941 419 Q HN 0.801 nan 8.270 nan 0.000 0.464 420 G N -0.985 107.825 108.800 0.017 0.000 2.357 420 G HA2 0.193 4.039 3.960 -0.189 0.000 0.289 420 G HA3 0.193 4.039 3.960 -0.189 0.000 0.289 420 G C -0.454 174.466 174.900 0.034 0.000 1.302 420 G CA -0.813 44.306 45.100 0.032 0.000 0.936 420 G HN 0.224 nan 8.290 nan 0.000 0.513 421 G N -1.669 107.152 108.800 0.035 0.000 2.570 421 G HA2 0.579 4.425 3.960 -0.189 0.000 0.276 421 G HA3 0.579 4.425 3.960 -0.189 0.000 0.276 421 G C 1.472 176.401 174.900 0.048 0.000 1.346 421 G CA 1.432 46.558 45.100 0.045 0.000 1.034 421 G HN 2.532 nan 8.290 nan 0.000 0.512 422 G N -1.939 106.897 108.800 0.060 0.000 2.148 422 G HA2 -0.195 3.652 3.960 -0.189 0.000 0.254 422 G HA3 -0.195 3.652 3.960 -0.189 0.000 0.254 422 G C 0.666 175.612 174.900 0.077 0.000 0.981 422 G CA 0.922 46.079 45.100 0.095 0.000 0.670 422 G HN 1.342 nan 8.290 nan 0.000 0.528 423 S N -1.094 114.629 115.700 0.038 0.000 2.585 423 S HA 0.623 4.980 4.470 -0.189 0.000 0.273 423 S C 1.140 175.672 174.600 -0.113 0.000 1.339 423 S CA 0.213 58.415 58.200 0.004 0.000 1.028 423 S CB 1.171 64.395 63.200 0.039 0.000 0.906 423 S HN 0.529 nan 8.310 nan 0.000 0.528 424 L N 2.826 123.927 121.223 -0.203 0.000 2.713 424 L HA 0.591 4.817 4.340 -0.189 0.000 0.223 424 L C -1.044 175.357 176.870 -0.783 0.000 1.040 424 L CA 0.778 55.209 54.840 -0.680 0.000 0.894 424 L CB 0.236 41.859 42.059 -0.725 0.000 1.361 424 L HN 0.677 nan 8.230 nan 0.000 0.490 425 F N -0.385 119.638 119.950 0.121 0.000 2.561 425 F HA 0.483 4.896 4.527 -0.190 0.000 0.313 425 F C -0.287 175.587 175.800 0.124 0.000 1.126 425 F CA -0.796 57.283 58.000 0.132 0.000 0.918 425 F CB 1.744 40.804 39.000 0.101 0.000 1.199 425 F HN -0.301 nan 8.300 nan 0.000 0.444 426 I N 2.994 123.723 120.570 0.265 0.000 2.525 426 I HA 0.674 4.731 4.170 -0.189 0.000 0.301 426 I C -1.097 175.174 176.117 0.256 0.000 0.992 426 I CA -0.653 60.778 61.300 0.219 0.000 1.162 426 I CB 1.681 39.736 38.000 0.091 0.000 1.332 426 I HN 0.652 nan 8.210 nan 0.000 0.458 427 K N 3.305 123.905 120.400 0.332 0.000 2.551 427 K HA 0.662 4.868 4.320 -0.189 0.000 0.269 427 K C -1.114 175.793 176.600 0.511 0.000 0.949 427 K CA -0.428 56.090 56.287 0.385 0.000 0.849 427 K CB 2.106 34.822 32.500 0.361 0.000 1.411 427 K HN 0.695 nan 8.250 nan 0.000 0.432 428 T N -0.088 114.726 114.554 0.433 0.000 2.658 428 T HA 0.421 4.657 4.350 -0.189 0.000 0.305 428 T C -2.250 172.367 174.700 -0.138 0.000 1.551 428 T CA -0.475 61.808 62.100 0.305 0.000 0.985 428 T CB 0.687 69.701 68.868 0.244 0.000 1.731 428 T HN 0.582 nan 8.240 nan 0.000 0.486 429 H N -0.181 118.680 119.070 -0.347 0.000 3.064 429 H HA 0.348 4.791 4.556 -0.188 0.000 0.352 429 H C -2.469 172.788 175.328 -0.118 0.000 1.260 429 H CA -1.248 54.554 56.048 -0.410 0.000 1.160 429 H CB 2.323 31.508 29.762 -0.962 0.000 1.879 429 H HN 0.352 nan 8.280 nan 0.000 0.544 430 P HA -0.122 nan 4.420 nan 0.000 0.216 430 P C 1.019 178.376 177.300 0.095 0.000 1.150 430 P CA 1.494 64.538 63.100 -0.093 0.000 0.843 430 P CB 0.373 31.951 31.700 -0.204 0.000 0.787 431 K N -0.945 119.651 120.400 0.326 0.000 2.365 431 K HA 0.095 4.301 4.320 -0.189 0.000 0.197 431 K C 1.141 177.870 176.600 0.215 0.000 1.042 431 K CA 0.359 56.808 56.287 0.270 0.000 0.987 431 K CB -0.148 32.530 32.500 0.295 0.000 0.779 431 K HN 0.119 nan 8.250 nan 0.000 0.484 432 S N 0.799 116.646 115.700 0.244 0.000 2.646 432 S HA 0.142 4.498 4.470 -0.189 0.000 0.276 432 S C 0.776 175.450 174.600 0.124 0.000 1.222 432 S CA -0.567 57.781 58.200 0.247 0.000 1.014 432 S CB 1.204 64.672 63.200 0.447 0.000 0.991 432 S HN 0.240 nan 8.310 nan 0.000 0.533 433 S N 1.723 117.430 115.700 0.012 0.000 2.650 433 S HA 0.358 4.714 4.470 -0.189 0.000 0.240 433 S C -0.242 174.199 174.600 -0.266 0.000 1.007 433 S CA -0.453 57.659 58.200 -0.146 0.000 0.984 433 S CB -0.382 62.694 63.200 -0.207 0.000 0.910 433 S HN 0.784 nan 8.310 nan 0.000 0.509 434 H N 0.272 119.407 119.070 0.108 0.000 2.670 434 H HA 0.740 5.183 4.556 -0.189 0.000 0.361 434 H C -1.238 174.119 175.328 0.048 0.000 1.169 434 H CA -0.902 55.154 56.048 0.013 0.000 1.198 434 H CB 1.783 31.501 29.762 -0.073 0.000 1.700 434 H HN 0.197 nan 8.280 nan 0.000 0.542 435 L N 2.889 124.168 121.223 0.094 0.000 2.406 435 L HA 0.349 4.575 4.340 -0.189 0.000 0.270 435 L C -1.841 175.157 176.870 0.212 0.000 0.982 435 L CA -0.466 54.474 54.840 0.166 0.000 0.843 435 L CB 0.276 42.329 42.059 -0.011 0.000 1.225 435 L HN 0.519 nan 8.230 nan 0.000 0.412 436 Y N 4.250 124.751 120.300 0.335 0.000 2.361 436 Y HA 0.686 5.122 4.550 -0.189 0.000 0.332 436 Y C 0.146 176.218 175.900 0.287 0.000 1.101 436 Y CA -0.780 57.511 58.100 0.319 0.000 1.137 436 Y CB 1.894 40.557 38.460 0.338 0.000 1.207 436 Y HN 0.434 nan 8.280 nan 0.000 0.463 437 V N 0.574 120.725 119.914 0.395 0.000 2.686 437 V HA 0.652 4.659 4.120 -0.189 0.000 0.306 437 V C -0.985 175.238 176.094 0.216 0.000 1.065 437 V CA -0.893 61.580 62.300 0.288 0.000 0.894 437 V CB 1.614 33.575 31.823 0.229 0.000 1.004 437 V HN 0.784 nan 8.190 nan 0.000 0.424 438 D N 2.823 123.359 120.400 0.227 0.000 2.423 438 D HA 0.588 5.114 4.640 -0.189 0.000 0.255 438 D C 0.402 176.753 176.300 0.085 0.000 1.174 438 D CA 0.085 54.188 54.000 0.171 0.000 1.008 438 D CB 1.679 42.627 40.800 0.246 0.000 1.101 438 D HN 0.995 nan 8.370 nan 0.000 0.516 439 T N -2.051 112.527 114.554 0.039 0.000 4.152 439 T HA 0.181 4.418 4.350 -0.189 0.000 0.237 439 T C 0.660 175.346 174.700 -0.022 0.000 0.971 439 T CA -0.210 61.895 62.100 0.009 0.000 1.328 439 T CB -1.014 67.848 68.868 -0.010 0.000 0.912 439 T HN 0.285 nan 8.240 nan 0.000 0.587 440 T N 1.230 115.756 114.554 -0.047 0.000 2.649 440 T HA -0.086 4.151 4.350 -0.189 0.000 0.268 440 T C 0.581 175.069 174.700 -0.353 0.000 1.036 440 T CA 1.733 63.713 62.100 -0.199 0.000 1.157 440 T CB -0.359 68.350 68.868 -0.264 0.000 0.861 440 T HN 0.549 nan 8.240 nan 0.000 0.445 441 F N 1.487 121.439 119.950 0.005 0.000 2.819 441 F HA 0.352 4.765 4.527 -0.190 0.000 0.294 441 F C 0.910 176.690 175.800 -0.034 0.000 1.166 441 F CA -1.239 56.748 58.000 -0.022 0.000 1.374 441 F CB -0.335 38.651 39.000 -0.024 0.000 0.956 441 F HN 0.035 nan 8.300 nan 0.000 0.509 442 N N 3.090 121.835 118.700 0.075 0.000 2.470 442 N HA 0.052 4.678 4.740 -0.189 0.000 0.268 442 N C -1.452 174.070 175.510 0.021 0.000 1.136 442 N CA -1.139 51.935 53.050 0.039 0.000 0.961 442 N CB 1.447 39.937 38.487 0.006 0.000 1.067 442 N HN -0.000 nan 8.380 nan 0.000 0.468 443 P HA -0.101 nan 4.420 nan 0.000 0.223 443 P C -0.124 177.166 177.300 -0.017 0.000 1.144 443 P CA 0.812 63.912 63.100 -0.000 0.000 0.783 443 P CB 0.221 31.917 31.700 -0.006 0.000 0.771 444 D N -0.615 119.774 120.400 -0.019 0.000 2.308 444 D HA 0.344 4.871 4.640 -0.189 0.000 0.251 444 D C 1.387 177.663 176.300 -0.041 0.000 1.127 444 D CA -0.228 53.755 54.000 -0.028 0.000 0.876 444 D CB 1.134 41.919 40.800 -0.024 0.000 1.176 444 D HN -0.118 nan 8.370 nan 0.000 0.446 445 A N 4.781 127.573 122.820 -0.047 0.000 1.902 445 A HA -0.175 4.032 4.320 -0.189 0.000 0.217 445 A C 2.122 179.665 177.584 -0.068 0.000 1.181 445 A CA 1.250 53.252 52.037 -0.059 0.000 0.623 445 A CB -0.384 18.582 19.000 -0.057 0.000 0.818 445 A HN 0.715 nan 8.150 nan 0.000 0.443 446 R N -0.448 120.014 120.500 -0.063 0.000 2.081 446 R HA -0.060 4.166 4.340 -0.189 0.000 0.235 446 R C 1.978 178.229 176.300 -0.082 0.000 1.131 446 R CA 1.668 57.723 56.100 -0.075 0.000 0.960 446 R CB -0.346 29.915 30.300 -0.065 0.000 0.856 446 R HN 0.574 nan 8.270 nan 0.000 0.436 447 I N 0.562 121.094 120.570 -0.064 0.000 2.202 447 I HA -0.250 3.807 4.170 -0.189 0.000 0.242 447 I C 2.307 178.381 176.117 -0.072 0.000 1.091 447 I CA 1.535 62.798 61.300 -0.062 0.000 1.368 447 I CB -0.258 37.719 38.000 -0.039 0.000 1.058 447 I HN 0.290 nan 8.210 nan 0.000 0.410 448 S N -0.002 115.657 115.700 -0.068 0.000 2.474 448 S HA -0.168 4.188 4.470 -0.189 0.000 0.235 448 S C 1.606 176.154 174.600 -0.088 0.000 0.997 448 S CA 0.738 58.892 58.200 -0.076 0.000 0.949 448 S CB -0.310 62.839 63.200 -0.085 0.000 0.766 448 S HN 0.540 nan 8.310 nan 0.000 0.517 449 Q N 1.241 120.982 119.800 -0.099 0.000 2.247 449 Q HA 0.277 4.504 4.340 -0.189 0.000 0.204 449 Q C 0.058 175.964 176.000 -0.157 0.000 0.872 449 Q CA -0.024 55.712 55.803 -0.113 0.000 0.951 449 Q CB 0.710 29.381 28.738 -0.113 0.000 1.099 449 Q HN 0.725 nan 8.270 nan 0.000 0.501 450 S N -0.831 114.775 115.700 -0.157 0.000 2.627 450 S HA 0.750 5.106 4.470 -0.189 0.000 0.283 450 S C -0.489 174.011 174.600 -0.167 0.000 1.127 450 S CA -0.906 57.166 58.200 -0.214 0.000 0.863 450 S CB 1.980 65.051 63.200 -0.215 0.000 1.121 450 S HN 0.067 nan 8.310 nan 0.000 0.479 451 V N -1.413 118.380 119.914 -0.201 0.000 2.769 451 V HA 0.995 5.002 4.120 -0.189 0.000 0.312 451 V C -0.008 176.018 176.094 -0.112 0.000 1.061 451 V CA -0.877 61.368 62.300 -0.092 0.000 0.931 451 V CB 0.982 32.812 31.823 0.013 0.000 1.010 451 V HN 1.479 nan 8.190 nan 0.000 0.433 452 A N 3.310 126.052 122.820 -0.130 0.000 2.310 452 A HA 0.864 5.070 4.320 -0.189 0.000 0.299 452 A C -0.399 177.087 177.584 -0.162 0.000 1.147 452 A CA -0.577 51.275 52.037 -0.308 0.000 0.818 452 A CB 1.194 19.738 19.000 -0.761 0.000 1.096 452 A HN 1.546 nan 8.150 nan 0.000 0.495 453 V N 1.767 121.527 119.914 -0.258 0.000 2.588 453 V HA 0.557 4.564 4.120 -0.189 0.000 0.304 453 V C -1.043 174.891 176.094 -0.267 0.000 1.042 453 V CA -0.361 61.772 62.300 -0.280 0.000 0.877 453 V CB 1.204 32.791 31.823 -0.392 0.000 0.996 453 V HN 0.739 nan 8.190 nan 0.000 0.425 454 F N 1.300 121.218 119.950 -0.053 0.000 2.507 454 F HA 0.549 4.965 4.527 -0.186 0.000 0.327 454 F C 0.227 176.041 175.800 0.024 0.000 1.068 454 F CA -0.737 57.275 58.000 0.021 0.000 0.965 454 F CB 1.459 40.467 39.000 0.013 0.000 1.192 454 F HN 0.438 nan 8.300 nan 0.000 0.476 455 D N 2.111 122.641 120.400 0.216 0.000 2.359 455 D HA 0.250 4.776 4.640 -0.189 0.000 0.230 455 D C 0.805 177.110 176.300 0.009 0.000 1.118 455 D CA 0.057 54.115 54.000 0.097 0.000 0.844 455 D CB 0.943 41.785 40.800 0.071 0.000 1.059 455 D HN 0.488 nan 8.370 nan 0.000 0.493 456 L N 3.159 124.324 121.223 -0.096 0.000 2.275 456 L HA -0.083 4.144 4.340 -0.189 0.000 0.215 456 L C 1.941 178.738 176.870 -0.122 0.000 1.119 456 L CA 0.858 55.587 54.840 -0.185 0.000 0.790 456 L CB -0.089 41.809 42.059 -0.268 0.000 0.919 456 L HN 0.317 nan 8.230 nan 0.000 0.443 457 K N -0.227 120.119 120.400 -0.090 0.000 2.487 457 K HA -0.004 4.202 4.320 -0.189 0.000 0.192 457 K C 0.214 176.786 176.600 -0.046 0.000 1.027 457 K CA 0.178 56.425 56.287 -0.066 0.000 1.054 457 K CB 0.053 32.518 32.500 -0.059 0.000 0.824 457 K HN 0.074 nan 8.250 nan 0.000 0.510 458 N N 0.553 119.236 118.700 -0.030 0.000 2.884 458 N HA 0.092 4.719 4.740 -0.189 0.000 0.211 458 N C -0.154 175.375 175.510 0.031 0.000 1.442 458 N CA -0.064 52.983 53.050 -0.004 0.000 0.757 458 N CB 0.120 38.611 38.487 0.006 0.000 1.461 458 N HN -0.078 nan 8.380 nan 0.000 0.557 459 L N -0.236 120.999 121.223 0.021 0.000 2.633 459 L HA 0.041 4.268 4.340 -0.189 0.000 0.235 459 L C 0.842 177.785 176.870 0.122 0.000 1.163 459 L CA 0.638 55.526 54.840 0.080 0.000 0.859 459 L CB 0.087 42.181 42.059 0.058 0.000 0.973 459 L HN 0.336 nan 8.230 nan 0.000 0.451 460 D N 0.480 120.932 120.400 0.085 0.000 2.249 460 D HA 0.058 4.584 4.640 -0.189 0.000 0.205 460 D C 1.146 177.495 176.300 0.082 0.000 0.962 460 D CA 0.384 54.435 54.000 0.084 0.000 0.860 460 D CB 0.241 41.074 40.800 0.054 0.000 0.955 460 D HN 0.229 nan 8.370 nan 0.000 0.505 461 A N 1.266 124.130 122.820 0.074 0.000 2.440 461 A HA 0.115 4.321 4.320 -0.189 0.000 0.251 461 A C 0.691 178.311 177.584 0.059 0.000 1.089 461 A CA -0.203 51.860 52.037 0.044 0.000 0.779 461 A CB 0.497 19.515 19.000 0.029 0.000 1.022 461 A HN -0.036 nan 8.150 nan 0.000 0.492 462 K N 0.961 121.339 120.400 -0.037 0.000 2.286 462 K HA 0.211 4.417 4.320 -0.189 0.000 0.256 462 K C -0.200 176.245 176.600 -0.260 0.000 0.999 462 K CA -0.101 56.091 56.287 -0.159 0.000 0.908 462 K CB 0.142 32.456 32.500 -0.310 0.000 0.981 462 K HN 0.699 nan 8.250 nan 0.000 0.500 463 Y N -0.275 119.813 120.300 -0.352 0.000 2.281 463 Y HA 0.198 4.633 4.550 -0.190 0.000 0.337 463 Y C -0.121 175.570 175.900 -0.348 0.000 1.304 463 Y CA -0.730 56.989 58.100 -0.636 0.000 1.465 463 Y CB 0.294 37.984 38.460 -1.283 0.000 1.350 463 Y HN 0.421 nan 8.280 nan 0.000 0.575 464 Q N 0.659 120.419 119.800 -0.066 0.000 2.266 464 Q HA 0.620 4.846 4.340 -0.189 0.000 0.261 464 Q C -1.441 174.579 176.000 0.033 0.000 0.985 464 Q CA -1.240 54.535 55.803 -0.046 0.000 0.873 464 Q CB 2.579 31.274 28.738 -0.072 0.000 1.306 464 Q HN 0.636 nan 8.270 nan 0.000 0.447 465 V N 3.358 123.272 119.914 0.000 0.000 2.347 465 V HA 0.243 4.249 4.120 -0.189 0.000 0.280 465 V C -0.700 175.287 176.094 -0.178 0.000 1.021 465 V CA -0.681 61.587 62.300 -0.054 0.000 0.847 465 V CB 1.015 32.822 31.823 -0.026 0.000 0.990 465 V HN 0.539 nan 8.190 nan 0.000 0.444 466 L N 8.675 129.742 121.223 -0.261 0.000 2.264 466 L HA 0.455 4.681 4.340 -0.189 0.000 0.289 466 L C -1.885 174.557 176.870 -0.713 0.000 1.044 466 L CA -1.838 52.703 54.840 -0.498 0.000 0.807 466 L CB 1.482 43.316 42.059 -0.375 0.000 1.192 466 L HN 0.432 nan 8.230 nan 0.000 0.425 467 P HA 0.091 nan 4.420 nan 0.000 0.237 467 P C 0.947 177.632 177.300 -1.024 0.000 1.788 467 P CA -0.221 62.359 63.100 -0.866 0.000 1.061 467 P CB 0.270 31.501 31.700 -0.782 0.000 1.967 468 I N 2.221 122.379 120.570 -0.687 0.000 2.076 468 I HA -0.248 3.808 4.170 -0.189 0.000 0.237 468 I C 2.435 178.442 176.117 -0.185 0.000 1.059 468 I CA 1.807 62.867 61.300 -0.400 0.000 1.317 468 I CB -1.994 35.759 38.000 -0.412 0.000 1.037 468 I HN 0.173 nan 8.210 nan 0.000 0.398 469 A N 0.140 122.855 122.820 -0.174 0.000 1.978 469 A HA -0.260 3.947 4.320 -0.189 0.000 0.220 469 A C 2.368 179.909 177.584 -0.072 0.000 1.170 469 A CA 1.995 53.978 52.037 -0.090 0.000 0.636 469 A CB -0.762 18.184 19.000 -0.090 0.000 0.810 469 A HN 0.590 nan 8.150 nan 0.000 0.448 470 E N -1.378 118.739 120.200 -0.138 0.000 2.106 470 E HA -0.192 4.044 4.350 -0.189 0.000 0.192 470 E C 1.626 178.253 176.600 0.046 0.000 0.984 470 E CA 0.974 57.320 56.400 -0.090 0.000 0.806 470 E CB -0.181 29.414 29.700 -0.175 0.000 0.750 470 E HN 0.782 nan 8.360 nan 0.000 0.458 471 W N 0.445 121.694 121.300 -0.085 0.000 2.465 471 W HA 0.035 4.581 4.660 -0.190 0.000 0.268 471 W C 2.228 178.699 176.519 -0.080 0.000 1.242 471 W CA 0.932 58.225 57.345 -0.087 0.000 1.248 471 W CB -0.738 28.655 29.460 -0.110 0.000 1.118 471 W HN 0.204 nan 8.180 nan 0.000 0.587 472 A N -0.099 122.805 122.820 0.140 0.000 1.968 472 A HA -0.117 4.089 4.320 -0.189 0.000 0.217 472 A C 0.678 178.284 177.584 0.036 0.000 1.169 472 A CA 1.340 53.413 52.037 0.060 0.000 0.638 472 A CB -0.661 18.359 19.000 0.033 0.000 0.812 472 A HN 0.159 nan 8.150 nan 0.000 0.446 473 D N -1.846 118.576 120.400 0.036 0.000 3.133 473 D HA -0.129 4.397 4.640 -0.189 0.000 0.239 473 D C 0.143 176.448 176.300 0.008 0.000 1.136 473 D CA 0.797 54.809 54.000 0.020 0.000 0.898 473 D CB -1.449 39.365 40.800 0.022 0.000 0.959 473 D HN 0.382 nan 8.370 nan 0.000 0.415 474 L N 0.672 121.897 121.223 0.003 0.000 2.609 474 L HA 0.512 4.738 4.340 -0.189 0.000 0.230 474 L C 2.063 178.932 176.870 -0.002 0.000 1.064 474 L CA 0.337 55.178 54.840 0.002 0.000 0.873 474 L CB 0.036 42.097 42.059 0.003 0.000 1.139 474 L HN 0.639 nan 8.230 nan 0.000 0.490 475 G N 1.070 109.866 108.800 -0.007 0.000 2.501 475 G HA2 -0.182 3.665 3.960 -0.189 0.000 0.213 475 G HA3 -0.182 3.665 3.960 -0.189 0.000 0.213 475 G C -0.474 174.416 174.900 -0.015 0.000 1.158 475 G CA -0.108 44.986 45.100 -0.010 0.000 1.079 475 G HN 0.332 nan 8.290 nan 0.000 0.586 476 E N 0.554 120.746 120.200 -0.014 0.000 2.391 476 E HA 0.525 4.761 4.350 -0.189 0.000 0.255 476 E C 0.483 177.068 176.600 -0.024 0.000 1.187 476 E CA -0.166 56.222 56.400 -0.019 0.000 0.941 476 E CB 1.116 30.807 29.700 -0.016 0.000 1.010 476 E HN 2.474 nan 8.360 nan 0.000 0.458 477 G N -0.719 108.061 108.800 -0.033 0.000 2.484 477 G HA2 0.134 3.981 3.960 -0.189 0.000 0.685 477 G HA3 0.134 3.981 3.960 -0.189 0.000 0.685 477 G C 0.239 175.101 174.900 -0.063 0.000 1.294 477 G CA -0.250 44.822 45.100 -0.045 0.000 0.879 477 G HN 0.748 nan 8.290 nan 0.000 0.646 478 A N 0.547 123.313 122.820 -0.089 0.000 2.019 478 A HA 0.240 4.447 4.320 -0.189 0.000 0.219 478 A C 1.647 179.164 177.584 -0.111 0.000 1.164 478 A CA 2.164 54.135 52.037 -0.110 0.000 0.644 478 A CB -0.605 18.303 19.000 -0.153 0.000 0.805 478 A HN 1.752 nan 8.150 nan 0.000 0.449 479 K N -0.487 119.853 120.400 -0.100 0.000 3.177 479 K HA -0.197 4.010 4.320 -0.189 0.000 0.266 479 K C -0.667 175.890 176.600 -0.071 0.000 0.937 479 K CA 0.639 56.885 56.287 -0.068 0.000 0.702 479 K CB -1.273 31.197 32.500 -0.050 0.000 1.365 479 K HN 0.634 nan 8.250 nan 0.000 0.466 480 R N 0.564 120.993 120.500 -0.118 0.000 2.484 480 R HA 0.120 4.347 4.340 -0.189 0.000 0.293 480 R C 0.451 176.768 176.300 0.029 0.000 1.023 480 R CA -0.213 55.823 56.100 -0.107 0.000 1.037 480 R CB 0.619 30.763 30.300 -0.261 0.000 0.951 480 R HN -0.030 nan 8.270 nan 0.000 0.418 481 V N 4.285 124.209 119.914 0.017 0.000 2.644 481 V HA 0.393 4.400 4.120 -0.189 0.000 0.295 481 V C -0.016 176.161 176.094 0.137 0.000 1.053 481 V CA -0.290 62.059 62.300 0.081 0.000 0.987 481 V CB 1.721 33.555 31.823 0.017 0.000 1.006 481 V HN 0.512 nan 8.190 nan 0.000 0.472 482 V N 4.894 124.922 119.914 0.189 0.000 3.000 482 V HA 0.484 4.491 4.120 -0.189 0.000 0.300 482 V C -0.575 175.586 176.094 0.112 0.000 1.251 482 V CA -0.372 62.049 62.300 0.201 0.000 0.972 482 V CB 1.837 33.775 31.823 0.192 0.000 1.065 482 V HN 1.068 nan 8.190 nan 0.000 0.431 483 Q N 4.535 124.422 119.800 0.145 0.000 2.474 483 Q HA -0.106 4.121 4.340 -0.189 0.000 0.282 483 Q C -2.501 173.359 176.000 -0.232 0.000 1.323 483 Q CA 0.366 56.036 55.803 -0.221 0.000 0.820 483 Q CB -0.196 28.046 28.738 -0.828 0.000 0.914 483 Q HN 0.601 nan 8.270 nan 0.000 0.304 484 P HA 0.143 nan 4.420 nan 0.000 0.269 484 P C -0.796 176.284 177.300 -0.366 0.000 1.209 484 P CA 0.415 63.170 63.100 -0.575 0.000 0.776 484 P CB 0.917 32.370 31.700 -0.412 0.000 0.876 485 E N 1.823 121.788 120.200 -0.391 0.000 2.349 485 E HA 0.292 4.529 4.350 -0.189 0.000 0.290 485 E C -1.497 175.116 176.600 0.022 0.000 0.901 485 E CA -0.529 55.815 56.400 -0.093 0.000 0.800 485 E CB 0.209 29.840 29.700 -0.116 0.000 1.303 485 E HN 0.171 nan 8.360 nan 0.000 0.397 486 Y N 2.257 122.564 120.300 0.012 0.000 2.258 486 Y HA 0.275 4.712 4.550 -0.188 0.000 0.345 486 Y C 1.371 177.322 175.900 0.085 0.000 1.303 486 Y CA 0.058 58.200 58.100 0.070 0.000 1.537 486 Y CB 0.523 39.013 38.460 0.049 0.000 1.383 486 Y HN 0.614 nan 8.280 nan 0.000 0.606 487 N N 0.073 118.957 118.700 0.306 0.000 2.502 487 N HA 0.161 4.787 4.740 -0.189 0.000 0.280 487 N C 0.528 176.113 175.510 0.124 0.000 1.223 487 N CA -0.735 52.450 53.050 0.225 0.000 0.966 487 N CB 0.970 39.675 38.487 0.364 0.000 1.203 487 N HN 0.639 nan 8.380 nan 0.000 0.565 488 K N 0.134 120.579 120.400 0.074 0.000 2.089 488 K HA -0.178 4.029 4.320 -0.189 0.000 0.210 488 K C 1.720 178.358 176.600 0.064 0.000 1.048 488 K CA 1.405 57.736 56.287 0.074 0.000 0.926 488 K CB 0.005 32.473 32.500 -0.052 0.000 0.714 488 K HN 0.572 nan 8.250 nan 0.000 0.448 489 R N -0.721 119.801 120.500 0.037 0.000 2.276 489 R HA -0.041 4.185 4.340 -0.189 0.000 0.203 489 R C 0.803 177.080 176.300 -0.038 0.000 1.017 489 R CA 0.904 57.020 56.100 0.026 0.000 1.010 489 R CB 0.002 30.328 30.300 0.044 0.000 0.900 489 R HN 0.493 nan 8.270 nan 0.000 0.469 490 G N 1.624 110.325 108.800 -0.165 0.000 2.168 490 G HA2 -0.304 3.543 3.960 -0.189 0.000 0.257 490 G HA3 -0.304 3.543 3.960 -0.189 0.000 0.257 490 G C 0.150 175.108 174.900 0.096 0.000 0.997 490 G CA 0.792 45.666 45.100 -0.376 0.000 0.708 490 G HN 0.671 nan 8.290 nan 0.000 0.520 491 D N -0.407 120.065 120.400 0.120 0.000 2.360 491 D HA 0.178 4.704 4.640 -0.189 0.000 0.210 491 D C 0.761 177.140 176.300 0.131 0.000 1.047 491 D CA 0.776 54.861 54.000 0.142 0.000 0.854 491 D CB 0.179 41.041 40.800 0.104 0.000 0.936 491 D HN 0.676 nan 8.370 nan 0.000 0.514 492 E N -0.304 119.975 120.200 0.132 0.000 2.343 492 E HA 0.618 4.855 4.350 -0.189 0.000 0.270 492 E C -1.195 175.385 176.600 -0.034 0.000 0.895 492 E CA -1.256 55.196 56.400 0.087 0.000 0.767 492 E CB 3.089 32.908 29.700 0.198 0.000 1.248 492 E HN -0.197 nan 8.360 nan 0.000 0.440 493 V N 1.623 121.436 119.914 -0.169 0.000 2.531 493 V HA 0.343 4.350 4.120 -0.189 0.000 0.301 493 V C -1.235 174.707 176.094 -0.253 0.000 1.034 493 V CA -0.911 61.096 62.300 -0.488 0.000 0.865 493 V CB 0.688 31.891 31.823 -1.034 0.000 0.995 493 V HN 0.607 nan 8.190 nan 0.000 0.424 494 W N 4.001 124.940 121.300 -0.602 0.000 2.449 494 W HA 0.819 5.365 4.660 -0.189 0.000 0.331 494 W C -0.627 175.464 176.519 -0.715 0.000 1.119 494 W CA -1.011 56.064 57.345 -0.450 0.000 1.240 494 W CB 0.894 30.136 29.460 -0.364 0.000 1.251 494 W HN 0.340 nan 8.180 nan 0.000 0.576 495 F N 0.661 120.632 119.950 0.036 0.000 2.588 495 F HA 0.469 4.882 4.527 -0.189 0.000 0.310 495 F C 0.145 175.947 175.800 0.003 0.000 1.082 495 F CA -1.202 56.796 58.000 -0.004 0.000 0.929 495 F CB 1.717 40.704 39.000 -0.022 0.000 1.254 495 F HN -0.043 nan 8.300 nan 0.000 0.455 496 S N 1.316 117.116 115.700 0.167 0.000 2.442 496 S HA 0.510 4.867 4.470 -0.189 0.000 0.297 496 S C -0.548 174.137 174.600 0.141 0.000 1.131 496 S CA -0.679 57.584 58.200 0.105 0.000 1.092 496 S CB 1.402 64.609 63.200 0.012 0.000 0.998 496 S HN 0.348 nan 8.310 nan 0.000 0.478 497 V N 4.722 124.711 119.914 0.124 0.000 2.258 497 V HA 0.126 4.132 4.120 -0.189 0.000 0.258 497 V C -0.365 175.838 176.094 0.182 0.000 1.121 497 V CA -0.665 61.706 62.300 0.119 0.000 0.942 497 V CB -0.501 31.362 31.823 0.066 0.000 1.170 497 V HN 0.910 nan 8.190 nan 0.000 0.487 498 W N 5.839 127.127 121.300 -0.020 0.000 2.518 498 W HA 0.239 4.786 4.660 -0.189 0.000 0.439 498 W C 0.149 176.654 176.519 -0.024 0.000 1.075 498 W CA -0.510 56.821 57.345 -0.024 0.000 1.646 498 W CB -0.535 28.900 29.460 -0.042 0.000 1.721 498 W HN 0.451 nan 8.180 nan 0.000 0.386 499 N N 2.230 121.030 118.700 0.166 0.000 2.483 499 N HA 0.576 5.202 4.740 -0.189 0.000 0.285 499 N C 0.468 175.997 175.510 0.032 0.000 1.210 499 N CA -0.108 52.949 53.050 0.013 0.000 0.931 499 N CB 1.170 39.673 38.487 0.026 0.000 1.220 499 N HN 0.354 nan 8.380 nan 0.000 0.542 500 G N 0.071 108.858 108.800 -0.022 0.000 2.720 500 G HA2 -0.051 3.795 3.960 -0.189 0.000 0.237 500 G HA3 -0.051 3.795 3.960 -0.189 0.000 0.237 500 G C 0.949 175.889 174.900 0.067 0.000 1.239 500 G CA 0.137 45.244 45.100 0.011 0.000 0.847 500 G HN 0.781 nan 8.290 nan 0.000 0.593 501 K N -0.826 119.624 120.400 0.083 0.000 2.155 501 K HA -0.026 4.181 4.320 -0.189 0.000 0.203 501 K C 1.505 178.145 176.600 0.067 0.000 1.052 501 K CA 1.635 57.978 56.287 0.094 0.000 0.948 501 K CB -0.091 32.476 32.500 0.112 0.000 0.728 501 K HN 0.521 nan 8.250 nan 0.000 0.448 502 N N 0.565 119.295 118.700 0.050 0.000 2.280 502 N HA 0.024 4.650 4.740 -0.189 0.000 0.192 502 N C -0.496 175.031 175.510 0.029 0.000 1.109 502 N CA -0.262 52.810 53.050 0.038 0.000 0.855 502 N CB 0.366 38.871 38.487 0.031 0.000 0.974 502 N HN 0.202 nan 8.380 nan 0.000 0.482 503 D N -0.307 120.110 120.400 0.029 0.000 2.539 503 D HA 0.246 4.772 4.640 -0.189 0.000 0.276 503 D C -0.234 176.083 176.300 0.029 0.000 1.206 503 D CA -0.051 53.961 54.000 0.020 0.000 1.081 503 D CB 0.891 41.696 40.800 0.008 0.000 1.142 503 D HN -0.231 nan 8.370 nan 0.000 0.595 504 S N -0.652 115.062 115.700 0.023 0.000 2.475 504 S HA 0.568 4.924 4.470 -0.189 0.000 0.298 504 S C -0.496 174.125 174.600 0.035 0.000 1.119 504 S CA -0.462 57.754 58.200 0.027 0.000 1.085 504 S CB 0.943 64.154 63.200 0.017 0.000 1.028 504 S HN 0.292 nan 8.310 nan 0.000 0.489 505 S N 1.388 117.115 115.700 0.045 0.000 2.715 505 S HA 0.998 5.354 4.470 -0.189 0.000 0.307 505 S C -0.703 173.923 174.600 0.043 0.000 1.119 505 S CA -0.649 57.586 58.200 0.058 0.000 0.937 505 S CB 1.814 65.069 63.200 0.091 0.000 1.150 505 S HN 0.988 nan 8.310 nan 0.000 0.521 506 A N 0.532 123.380 122.820 0.046 0.000 2.586 506 A HA 0.719 4.926 4.320 -0.189 0.000 0.290 506 A C -2.255 175.347 177.584 0.029 0.000 1.086 506 A CA -0.700 51.352 52.037 0.025 0.000 0.665 506 A CB 0.707 19.712 19.000 0.008 0.000 1.279 506 A HN 0.625 nan 8.150 nan 0.000 0.423 507 L N 1.210 122.431 121.223 -0.004 0.000 2.319 507 L HA 0.548 4.774 4.340 -0.189 0.000 0.281 507 L C -0.880 175.929 176.870 -0.102 0.000 1.005 507 L CA -0.953 53.880 54.840 -0.012 0.000 0.828 507 L CB 1.630 43.688 42.059 -0.001 0.000 1.227 507 L HN 0.453 nan 8.230 nan 0.000 0.415 508 V N 4.425 124.324 119.914 -0.025 0.000 2.407 508 V HA 0.384 4.390 4.120 -0.189 0.000 0.278 508 V C 0.218 176.247 176.094 -0.108 0.000 1.037 508 V CA -0.557 61.717 62.300 -0.044 0.000 0.900 508 V CB 2.029 33.896 31.823 0.074 0.000 0.983 508 V HN 0.414 nan 8.190 nan 0.000 0.459 509 V N 5.514 125.229 119.914 -0.331 0.000 2.547 509 V HA 0.605 4.611 4.120 -0.189 0.000 0.299 509 V C -0.170 175.805 176.094 -0.199 0.000 1.040 509 V CA -0.544 61.462 62.300 -0.490 0.000 0.913 509 V CB 2.002 33.292 31.823 -0.888 0.000 0.992 509 V HN 0.598 nan 8.190 nan 0.000 0.449 510 V N 2.034 121.901 119.914 -0.077 0.000 2.735 510 V HA 0.392 4.399 4.120 -0.189 0.000 0.310 510 V C -0.570 175.516 176.094 -0.013 0.000 1.061 510 V CA -0.716 61.585 62.300 0.001 0.000 0.913 510 V CB 2.183 34.133 31.823 0.212 0.000 1.005 510 V HN 0.913 nan 8.190 nan 0.000 0.428 511 D N 2.424 122.810 120.400 -0.024 0.000 2.344 511 D HA 0.047 4.573 4.640 -0.189 0.000 0.253 511 D C 0.821 177.173 176.300 0.086 0.000 1.255 511 D CA 0.165 54.173 54.000 0.013 0.000 0.894 511 D CB 1.364 42.155 40.800 -0.016 0.000 1.067 511 D HN 0.730 nan 8.370 nan 0.000 0.492 512 D N 3.393 123.876 120.400 0.137 0.000 2.178 512 D HA -0.175 4.351 4.640 -0.189 0.000 0.201 512 D C 1.650 178.145 176.300 0.326 0.000 0.980 512 D CA 1.117 55.278 54.000 0.268 0.000 0.842 512 D CB 0.252 41.249 40.800 0.329 0.000 0.948 512 D HN 0.343 nan 8.370 nan 0.000 0.472 513 K N -0.891 119.644 120.400 0.225 0.000 2.103 513 K HA -0.087 4.119 4.320 -0.189 0.000 0.204 513 K C 1.650 178.365 176.600 0.192 0.000 1.052 513 K CA 1.670 58.084 56.287 0.211 0.000 0.945 513 K CB -0.034 32.543 32.500 0.129 0.000 0.722 513 K HN 0.345 nan 8.250 nan 0.000 0.443 514 T N -2.475 112.151 114.554 0.121 0.000 2.990 514 T HA 0.190 4.427 4.350 -0.189 0.000 0.250 514 T C 0.971 175.702 174.700 0.051 0.000 1.041 514 T CA -0.017 62.129 62.100 0.077 0.000 1.010 514 T CB 0.054 68.940 68.868 0.030 0.000 1.003 514 T HN 0.300 nan 8.240 nan 0.000 0.499 515 L N -0.565 120.683 121.223 0.042 0.000 4.089 515 L HA -0.155 4.071 4.340 -0.189 0.000 0.408 515 L C -0.136 176.769 176.870 0.059 0.000 1.184 515 L CA 0.305 55.166 54.840 0.036 0.000 0.947 515 L CB -1.758 40.281 42.059 -0.033 0.000 2.066 515 L HN 0.279 nan 8.230 nan 0.000 0.851 516 K N 0.473 120.849 120.400 -0.040 0.000 2.156 516 K HA 0.584 4.791 4.320 -0.189 0.000 0.254 516 K C -0.149 176.218 176.600 -0.388 0.000 0.950 516 K CA -0.866 55.300 56.287 -0.202 0.000 0.849 516 K CB 1.757 34.163 32.500 -0.157 0.000 1.100 516 K HN 0.070 nan 8.250 nan 0.000 0.434 517 L N 3.112 123.837 121.223 -0.830 0.000 2.601 517 L HA -0.035 4.192 4.340 -0.189 0.000 0.277 517 L C 0.845 177.450 176.870 -0.442 0.000 1.219 517 L CA 1.186 55.521 54.840 -0.842 0.000 0.915 517 L CB 0.318 41.635 42.059 -1.238 0.000 1.160 517 L HN 0.742 nan 8.230 nan 0.000 0.494 518 K N 3.733 123.941 120.400 -0.321 0.000 2.306 518 K HA 0.508 4.714 4.320 -0.189 0.000 0.200 518 K C 0.014 176.470 176.600 -0.240 0.000 1.083 518 K CA 0.540 56.683 56.287 -0.239 0.000 0.959 518 K CB 0.476 32.863 32.500 -0.188 0.000 0.994 518 K HN 0.777 nan 8.250 nan 0.000 0.492 519 A N -0.019 122.633 122.820 -0.279 0.000 2.599 519 A HA 0.606 4.813 4.320 -0.189 0.000 0.290 519 A C -1.748 175.678 177.584 -0.264 0.000 1.101 519 A CA -0.670 51.207 52.037 -0.267 0.000 0.674 519 A CB 2.018 20.835 19.000 -0.304 0.000 1.277 519 A HN -0.084 nan 8.150 nan 0.000 0.419 520 V N 0.627 120.412 119.914 -0.214 0.000 2.610 520 V HA 0.431 4.437 4.120 -0.189 0.000 0.298 520 V C -0.917 175.090 176.094 -0.144 0.000 1.067 520 V CA -0.512 61.690 62.300 -0.164 0.000 0.894 520 V CB 1.663 33.428 31.823 -0.098 0.000 1.015 520 V HN 0.793 nan 8.190 nan 0.000 0.432 521 V N 5.552 125.376 119.914 -0.149 0.000 2.333 521 V HA 0.492 4.498 4.120 -0.189 0.000 0.274 521 V C 0.080 176.149 176.094 -0.042 0.000 1.028 521 V CA -0.542 61.700 62.300 -0.097 0.000 0.851 521 V CB 1.135 32.897 31.823 -0.101 0.000 1.000 521 V HN 0.807 nan 8.190 nan 0.000 0.456 522 K N 3.567 123.952 120.400 -0.026 0.000 2.318 522 K HA 0.709 4.916 4.320 -0.189 0.000 0.249 522 K C -1.264 175.338 176.600 0.004 0.000 0.942 522 K CA -0.848 55.435 56.287 -0.006 0.000 0.808 522 K CB 2.490 34.985 32.500 -0.008 0.000 1.189 522 K HN 0.673 nan 8.250 nan 0.000 0.428 523 D N 1.773 122.182 120.400 0.015 0.000 2.747 523 D HA 0.058 4.584 4.640 -0.189 0.000 0.218 523 D C -2.185 174.131 176.300 0.026 0.000 1.230 523 D CA -1.169 52.843 54.000 0.020 0.000 0.774 523 D CB 2.003 42.818 40.800 0.025 0.000 1.667 523 D HN 0.210 nan 8.370 nan 0.000 0.499 524 P HA -0.084 nan 4.420 nan 0.000 0.221 524 P C 0.933 178.254 177.300 0.034 0.000 1.145 524 P CA 0.756 63.873 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 -0.827 119.694 120.500 0.035 0.000 2.173 525 R HA 0.113 4.339 4.340 -0.189 0.000 0.208 525 R C 1.205 177.531 176.300 0.043 0.000 1.035 525 R CA -0.153 55.971 56.100 0.040 0.000 1.004 525 R CB -0.593 29.731 30.300 0.039 0.000 0.917 525 R HN 0.110 nan 8.270 nan 0.000 0.462 526 L N 2.535 123.783 121.223 0.042 0.000 2.449 526 L HA 0.130 4.356 4.340 -0.189 0.000 0.266 526 L C -0.543 176.360 176.870 0.053 0.000 1.321 526 L CA 0.613 55.480 54.840 0.046 0.000 1.194 526 L CB -0.263 41.822 42.059 0.043 0.000 1.384 526 L HN 0.036 nan 8.230 nan 0.000 0.438 527 I N 3.404 124.008 120.570 0.057 0.000 2.365 527 I HA 0.139 4.196 4.170 -0.189 0.000 0.291 527 I C 0.838 177.007 176.117 0.087 0.000 1.004 527 I CA -0.394 60.950 61.300 0.074 0.000 1.311 527 I CB 1.137 39.181 38.000 0.073 0.000 1.401 527 I HN 0.681 nan 8.210 nan 0.000 0.491 528 T N 3.879 118.517 114.554 0.140 0.000 3.473 528 T HA -0.100 4.136 4.350 -0.189 0.000 0.403 528 T C -2.215 172.532 174.700 0.078 0.000 0.768 528 T CA -0.720 61.518 62.100 0.231 0.000 2.009 528 T CB -1.947 67.092 68.868 0.285 0.000 1.715 528 T HN 0.410 nan 8.240 nan 0.000 0.666 529 P HA 0.200 nan 4.420 nan 0.000 0.271 529 P C 1.029 178.215 177.300 -0.191 0.000 1.226 529 P CA 0.104 63.176 63.100 -0.046 0.000 0.765 529 P CB 1.469 33.178 31.700 0.016 0.000 0.835 530 T N 1.099 115.458 114.554 -0.326 0.000 2.709 530 T HA 0.351 4.588 4.350 -0.189 0.000 0.174 530 T C 1.041 175.527 174.700 -0.357 0.000 0.774 530 T CA 0.102 61.897 62.100 -0.509 0.000 1.309 530 T CB -0.861 67.532 68.868 -0.792 0.000 2.586 530 T HN 0.325 nan 8.240 nan 0.000 0.401 531 G N 1.861 110.451 108.800 -0.348 0.000 2.441 531 G HA2 0.488 4.334 3.960 -0.189 0.000 0.243 531 G HA3 0.488 4.334 3.960 -0.189 0.000 0.243 531 G C -0.964 173.695 174.900 -0.401 0.000 1.281 531 G CA -0.450 44.400 45.100 -0.416 0.000 0.854 531 G HN 0.644 nan 8.290 nan 0.000 0.560 532 K N 0.783 120.768 120.400 -0.691 0.000 2.397 532 K HA 0.459 4.666 4.320 -0.189 0.000 0.253 532 K C -1.584 174.568 176.600 -0.747 0.000 0.932 532 K CA -0.472 55.573 56.287 -0.402 0.000 0.795 532 K CB 2.285 34.699 32.500 -0.143 0.000 1.159 532 K HN 0.371 nan 8.250 nan 0.000 0.424 533 F N 1.785 121.691 119.950 -0.074 0.000 2.577 533 F HA 0.220 4.633 4.527 -0.190 0.000 0.344 533 F C 0.269 175.869 175.800 -0.334 0.000 1.145 533 F CA -0.986 56.918 58.000 -0.160 0.000 0.996 533 F CB 1.241 40.175 39.000 -0.109 0.000 1.248 533 F HN 0.451 nan 8.300 nan 0.000 0.447 534 N N 2.590 120.999 118.700 -0.485 0.000 2.468 534 N HA 0.032 4.658 4.740 -0.189 0.000 0.265 534 N C 1.123 176.462 175.510 -0.285 0.000 1.199 534 N CA 0.108 52.635 53.050 -0.871 0.000 0.928 534 N CB 1.377 39.245 38.487 -1.031 0.000 1.059 534 N HN 0.459 nan 8.380 nan 0.000 0.467 535 V N 4.888 124.680 119.914 -0.204 0.000 2.231 535 V HA -0.311 3.696 4.120 -0.189 0.000 0.250 535 V C 1.812 177.950 176.094 0.074 0.000 1.058 535 V CA 1.994 64.279 62.300 -0.026 0.000 1.022 535 V CB -1.138 30.693 31.823 0.014 0.000 0.640 535 V HN 0.764 nan 8.190 nan 0.000 0.445 536 Y N 1.680 121.986 120.300 0.010 0.000 2.114 536 Y HA -0.219 4.218 4.550 -0.189 0.000 0.284 536 Y C 2.572 178.589 175.900 0.195 0.000 1.143 536 Y CA 2.139 60.328 58.100 0.148 0.000 1.135 536 Y CB -0.426 38.094 38.460 0.099 0.000 0.980 536 Y HN 0.295 nan 8.280 nan 0.000 0.499 537 N N -0.680 118.142 118.700 0.203 0.000 2.205 537 N HA -0.151 4.475 4.740 -0.189 0.000 0.186 537 N C 1.690 177.293 175.510 0.156 0.000 1.015 537 N CA 1.842 54.994 53.050 0.171 0.000 0.862 537 N CB -0.667 37.938 38.487 0.197 0.000 0.986 537 N HN 0.407 nan 8.380 nan 0.000 0.429 538 T N 0.660 115.285 114.554 0.118 0.000 2.770 538 T HA -0.108 4.129 4.350 -0.189 0.000 0.258 538 T C 1.840 176.583 174.700 0.071 0.000 1.039 538 T CA 0.809 62.992 62.100 0.137 0.000 1.143 538 T CB -0.173 68.757 68.868 0.103 0.000 0.866 538 T HN 0.297 nan 8.240 nan 0.000 0.428 539 Q N 0.399 120.189 119.800 -0.016 0.000 2.112 539 Q HA -0.192 4.034 4.340 -0.189 0.000 0.206 539 Q C 1.171 177.016 176.000 -0.259 0.000 0.987 539 Q CA 1.484 57.197 55.803 -0.149 0.000 0.858 539 Q CB -0.084 28.520 28.738 -0.224 0.000 0.905 539 Q HN 0.638 nan 8.270 nan 0.000 0.420 540 H N 0.428 119.425 119.070 -0.121 0.000 2.507 540 H HA 0.096 4.538 4.556 -0.190 0.000 0.294 540 H C -0.492 174.845 175.328 0.015 0.000 1.064 540 H CA 0.132 56.110 56.048 -0.118 0.000 1.138 540 H CB 0.341 29.859 29.762 -0.406 0.000 1.515 540 H HN 0.377 nan 8.280 nan 0.000 0.547 541 D N 1.216 121.712 120.400 0.159 0.000 2.704 541 D HA -0.149 4.378 4.640 -0.189 0.000 0.232 541 D C -0.120 176.112 176.300 -0.114 0.000 1.183 541 D CA 0.312 54.394 54.000 0.136 0.000 0.647 541 D CB -1.068 39.752 40.800 0.035 0.000 1.013 541 D HN 0.161 nan 8.370 nan 0.000 0.415 542 V N 1.839 121.783 119.914 0.050 0.000 2.313 542 V HA 0.266 4.272 4.120 -0.189 0.000 0.252 542 V C 0.165 176.319 176.094 0.100 0.000 1.112 542 V CA -0.005 62.287 62.300 -0.014 0.000 0.984 542 V CB -0.690 31.148 31.823 0.025 0.000 1.157 542 V HN 0.248 nan 8.190 nan 0.000 0.493 543 Y N 0.000 120.396 120.300 0.159 0.000 2.660 543 Y HA 0.000 4.436 4.550 -0.190 0.000 0.201 543 Y CA 0.000 58.198 58.100 0.163 0.000 1.940 543 Y CB 0.000 38.592 38.460 0.219 0.000 1.050 543 Y HN 0.000 nan 8.280 nan 0.000 0.758