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 1rqg_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVRYMVTSAL PYANGPIHAG HLAGAYLPAD IFVRYLRLKG EDVVFICGTD DATA SEQUENCE EHGTPISFRA LKEGRSPREI VDEFHEQIKI TFQRAKISFD FFGRTELPIH DATA SEQUENCE YKLSQEFFLK AYENGHLVKK VTKQAYCEHD KMFLPDRFVI GTCPYCGAED DATA SEQUENCE QKGDQCEVCG RPLTPEILIN PRCAICGRPI SFRDSAHYYI KMQDFAERLK DATA SEQUENCE RWIEKQPWKP NVKNMVLSWI EEGLEERAIT RDLNWGIPVP LDEEDMKGKV DATA SEQUENCE LYVWFEAPIG YISITIEHFK RIGKPNEWKK YWLNIDGQTR VIHFIGKDNI DATA SEQUENCE PFHAIFWPAF LMAYGKYKDE EVEAEWNLPY DIPANEYLTL EGKKFSTSRN DATA SEQUENCE WAIWVHEFLD VFPADYLRYY LTTIMPETRD SDFSFSDFKV RINEELVNNL DATA SEQUENCE GNFVHRALTF VNRYFDGVVP ERGELDELDR EALEEIEKAF KEVGELIMNY DATA SEQUENCE RFKDALKRVM SLASFGNRYF DHKQPWKTAK EDKVRTGTTV NISLQIVKAL DATA SEQUENCE GILLEPFLPD ASEKIWHLLN LDEVKRWEFR ELPAGHKVRK PEILFKKVTD DATA SEQUENCE DQIIYFILNY MAKGNPEGAR ILLDKYYKRE DVIRVAKEKF GDEAEVVLRR DATA SEQUENCE VYKDIK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.242 176.300 -0.097 0.000 1.140 1 M CA 0.000 55.266 55.300 -0.056 0.000 0.988 1 M CB 0.000 32.580 32.600 -0.034 0.000 1.302 2 V N 2.265 122.097 119.914 -0.137 0.000 2.924 2 V HA 0.793 4.913 4.120 0.001 0.000 0.305 2 V C -0.015 175.942 176.094 -0.228 0.000 1.073 2 V CA -0.291 61.848 62.300 -0.269 0.000 1.098 2 V CB 1.065 32.604 31.823 -0.473 0.000 1.000 2 V HN 0.962 nan 8.190 nan 0.000 0.484 3 R N 2.112 122.442 120.500 -0.283 0.000 2.892 3 R HA 0.702 5.042 4.340 0.001 0.000 0.265 3 R C -1.878 174.334 176.300 -0.147 0.000 1.025 3 R CA -0.900 55.165 56.100 -0.058 0.000 0.982 3 R CB 1.437 31.688 30.300 -0.082 0.000 1.185 3 R HN 0.656 nan 8.270 nan 0.000 0.484 4 Y N 0.689 121.064 120.300 0.126 0.000 2.391 4 Y HA 0.413 4.963 4.550 0.001 0.000 0.341 4 Y C -0.175 175.833 175.900 0.180 0.000 0.965 4 Y CA -1.245 56.928 58.100 0.122 0.000 1.067 4 Y CB 2.417 40.951 38.460 0.123 0.000 1.199 4 Y HN 0.342 nan 8.280 nan 0.000 0.450 5 M N 4.798 124.533 119.600 0.226 0.000 2.103 5 M HA 0.371 4.851 4.480 0.001 0.000 0.350 5 M C -1.478 174.871 176.300 0.082 0.000 1.100 5 M CA -0.854 54.482 55.300 0.060 0.000 1.042 5 M CB 0.227 32.652 32.600 -0.292 0.000 1.368 5 M HN 0.413 nan 8.290 nan 0.000 0.404 6 V N 3.769 123.812 119.914 0.215 0.000 2.472 6 V HA 0.729 4.849 4.120 0.001 0.000 0.290 6 V C 0.522 176.869 176.094 0.422 0.000 1.037 6 V CA -0.535 61.934 62.300 0.280 0.000 0.908 6 V CB 1.491 33.437 31.823 0.205 0.000 0.985 6 V HN 0.843 nan 8.190 nan 0.000 0.454 7 T N 1.063 115.844 114.554 0.378 0.000 2.887 7 T HA 0.729 5.079 4.350 0.001 0.000 0.292 7 T C -0.501 174.459 174.700 0.433 0.000 1.087 7 T CA -0.710 61.627 62.100 0.395 0.000 1.009 7 T CB 2.143 71.070 68.868 0.098 0.000 1.203 7 T HN 0.501 nan 8.240 nan 0.000 0.518 8 S N 0.297 116.253 115.700 0.427 0.000 2.536 8 S HA 0.748 5.218 4.470 0.001 0.000 0.287 8 S C -0.011 174.787 174.600 0.330 0.000 1.101 8 S CA -0.629 57.788 58.200 0.362 0.000 0.950 8 S CB 1.394 64.942 63.200 0.581 0.000 1.056 8 S HN 1.181 nan 8.310 nan 0.000 0.481 9 A N 2.746 125.667 122.820 0.169 0.000 2.566 9 A HA 0.225 4.545 4.320 0.001 0.000 0.245 9 A C -0.154 177.573 177.584 0.238 0.000 1.056 9 A CA -0.020 52.140 52.037 0.206 0.000 0.757 9 A CB -0.490 18.549 19.000 0.065 0.000 0.979 9 A HN 0.633 nan 8.150 nan 0.000 0.508 10 L N 5.772 127.058 121.223 0.105 0.000 2.584 10 L HA 0.163 4.503 4.340 0.001 0.000 0.272 10 L C -1.484 175.436 176.870 0.084 0.000 1.195 10 L CA -0.610 54.236 54.840 0.010 0.000 0.920 10 L CB -0.410 41.514 42.059 -0.225 0.000 1.173 10 L HN 0.524 nan 8.230 nan 0.000 0.489 11 P HA 0.010 nan 4.420 nan 0.000 0.276 11 P C -0.895 176.438 177.300 0.055 0.000 1.230 11 P CA -0.440 62.740 63.100 0.134 0.000 0.776 11 P CB 0.443 32.251 31.700 0.178 0.000 0.888 12 Y N 2.640 122.868 120.300 -0.120 0.000 2.442 12 Y HA 0.239 4.789 4.550 0.001 0.000 0.330 12 Y C 1.121 176.938 175.900 -0.139 0.000 1.129 12 Y CA -0.242 57.785 58.100 -0.120 0.000 1.365 12 Y CB 0.510 38.905 38.460 -0.108 0.000 1.233 12 Y HN 0.508 nan 8.280 nan 0.000 0.529 13 A N 4.911 127.452 122.820 -0.465 0.000 2.958 13 A HA 0.053 4.373 4.320 0.001 0.000 0.247 13 A C 0.876 178.265 177.584 -0.325 0.000 1.679 13 A CA 0.274 52.128 52.037 -0.305 0.000 1.345 13 A CB -1.097 17.806 19.000 -0.162 0.000 1.013 13 A HN 0.810 nan 8.150 nan 0.000 0.641 14 N N -0.228 118.227 118.700 -0.410 0.000 2.159 14 N HA 0.339 5.079 4.740 0.001 0.000 0.217 14 N C 0.301 175.450 175.510 -0.602 0.000 1.223 14 N CA 0.857 53.756 53.050 -0.250 0.000 0.896 14 N CB 0.789 39.322 38.487 0.076 0.000 1.064 14 N HN 0.543 nan 8.380 nan 0.000 0.518 15 G N -0.278 107.693 108.800 -1.383 0.000 2.322 15 G HA2 0.241 4.201 3.960 0.001 0.000 0.295 15 G HA3 0.241 4.201 3.960 0.001 0.000 0.295 15 G C -3.272 170.940 174.900 -1.147 0.000 1.369 15 G CA -0.817 43.365 45.100 -1.530 0.000 0.821 15 G HN -0.060 nan 8.290 nan 0.000 0.536 16 P HA 0.496 nan 4.420 nan 0.000 0.278 16 P C 0.017 177.424 177.300 0.178 0.000 1.258 16 P CA -0.509 62.461 63.100 -0.217 0.000 0.811 16 P CB 1.692 33.239 31.700 -0.254 0.000 1.063 17 I N 0.231 120.915 120.570 0.191 0.000 2.577 17 I HA 0.428 4.599 4.170 0.001 0.000 0.300 17 I C 0.114 176.501 176.117 0.450 0.000 0.990 17 I CA -0.721 60.800 61.300 0.368 0.000 1.283 17 I CB 1.017 39.066 38.000 0.083 0.000 1.411 17 I HN 0.471 nan 8.210 nan 0.000 0.515 18 H N 3.693 122.899 119.070 0.227 0.000 2.771 18 H HA 0.585 5.141 4.556 0.001 0.000 0.367 18 H C 0.577 175.881 175.328 -0.040 0.000 1.172 18 H CA -0.651 55.310 56.048 -0.144 0.000 1.186 18 H CB 1.739 31.109 29.762 -0.654 0.000 1.790 18 H HN 0.746 nan 8.280 nan 0.000 0.556 19 A N 1.239 124.169 122.820 0.184 0.000 1.997 19 A HA -0.186 4.135 4.320 0.001 0.000 0.221 19 A C 2.331 179.937 177.584 0.036 0.000 1.172 19 A CA 2.042 54.119 52.037 0.066 0.000 0.645 19 A CB -1.537 17.390 19.000 -0.122 0.000 0.813 19 A HN 0.917 nan 8.150 nan 0.000 0.454 20 G N -1.194 107.560 108.800 -0.076 0.000 2.418 20 G HA2 -0.245 3.716 3.960 0.001 0.000 0.217 20 G HA3 -0.245 3.716 3.960 0.001 0.000 0.217 20 G C 1.355 176.325 174.900 0.117 0.000 1.158 20 G CA 1.213 46.121 45.100 -0.321 0.000 0.771 20 G HN 0.804 nan 8.290 nan 0.000 0.545 21 H N -0.828 118.444 119.070 0.337 0.000 2.293 21 H HA -0.003 4.554 4.556 0.001 0.000 0.300 21 H C 2.491 177.986 175.328 0.278 0.000 1.082 21 H CA 0.783 56.957 56.048 0.211 0.000 1.308 21 H CB -0.009 29.851 29.762 0.164 0.000 1.375 21 H HN 0.255 nan 8.280 nan 0.000 0.495 22 L N 0.919 122.420 121.223 0.464 0.000 1.976 22 L HA -0.142 4.198 4.340 0.001 0.000 0.209 22 L C 2.573 179.543 176.870 0.166 0.000 1.071 22 L CA 1.825 56.917 54.840 0.420 0.000 0.746 22 L CB -0.869 41.355 42.059 0.276 0.000 0.890 22 L HN 0.261 nan 8.230 nan 0.000 0.432 23 A N -0.862 121.994 122.820 0.060 0.000 1.940 23 A HA -0.140 4.181 4.320 0.001 0.000 0.219 23 A C 2.300 179.844 177.584 -0.067 0.000 1.176 23 A CA 1.721 53.734 52.037 -0.040 0.000 0.631 23 A CB -1.518 17.429 19.000 -0.088 0.000 0.814 23 A HN 0.554 nan 8.150 nan 0.000 0.446 24 G N -1.719 107.052 108.800 -0.049 0.000 2.408 24 G HA2 0.184 4.144 3.960 0.001 0.000 0.217 24 G HA3 0.184 4.144 3.960 0.001 0.000 0.217 24 G C 1.133 175.940 174.900 -0.154 0.000 1.150 24 G CA 1.350 46.391 45.100 -0.098 0.000 0.776 24 G HN 1.197 nan 8.290 nan 0.000 0.542 25 A N -2.018 120.650 122.820 -0.253 0.000 2.710 25 A HA 0.512 4.832 4.320 0.001 0.000 0.212 25 A C 1.392 178.702 177.584 -0.457 0.000 1.358 25 A CA -0.048 51.773 52.037 -0.359 0.000 1.048 25 A CB 0.023 18.737 19.000 -0.477 0.000 1.345 25 A HN 0.233 nan 8.150 nan 0.000 0.583 26 Y N -1.254 119.071 120.300 0.041 0.000 2.351 26 Y HA 0.180 4.731 4.550 0.001 0.000 0.291 26 Y C 2.093 177.886 175.900 -0.179 0.000 1.153 26 Y CA 0.623 58.708 58.100 -0.025 0.000 1.193 26 Y CB -0.170 38.339 38.460 0.082 0.000 1.187 26 Y HN 0.250 nan 8.280 nan 0.000 0.524 27 L N 1.514 122.736 121.223 -0.001 0.000 2.013 27 L HA -0.095 4.245 4.340 0.001 0.000 0.212 27 L C -1.027 175.607 176.870 -0.394 0.000 1.073 27 L CA 2.128 56.879 54.840 -0.148 0.000 0.753 27 L CB -1.707 40.296 42.059 -0.094 0.000 0.890 27 L HN 0.005 nan 8.230 nan 0.000 0.432 28 P HA -0.164 nan 4.420 nan 0.000 0.213 28 P C 1.662 178.366 177.300 -0.993 0.000 1.170 28 P CA 2.229 64.798 63.100 -0.886 0.000 0.898 28 P CB -0.242 31.240 31.700 -0.364 0.000 0.787 29 A N -0.446 121.626 122.820 -1.246 0.000 1.948 29 A HA -0.298 4.023 4.320 0.001 0.000 0.220 29 A C 2.178 179.133 177.584 -1.047 0.000 1.177 29 A CA 2.486 53.473 52.037 -1.750 0.000 0.636 29 A CB -1.750 16.599 19.000 -1.085 0.000 0.815 29 A HN 0.171 nan 8.150 nan 0.000 0.449 30 D N -0.403 119.619 120.400 -0.631 0.000 2.097 30 D HA -0.096 4.545 4.640 0.001 0.000 0.197 30 D C 1.747 177.806 176.300 -0.403 0.000 0.984 30 D CA 1.350 55.087 54.000 -0.439 0.000 0.826 30 D CB -0.216 40.432 40.800 -0.252 0.000 0.973 30 D HN 0.473 nan 8.370 nan 0.000 0.460 31 I N -0.229 120.084 120.570 -0.429 0.000 2.208 31 I HA -0.238 3.932 4.170 0.001 0.000 0.245 31 I C 2.037 178.022 176.117 -0.220 0.000 1.097 31 I CA 0.761 61.813 61.300 -0.413 0.000 1.363 31 I CB -0.305 37.362 38.000 -0.554 0.000 1.051 31 I HN 0.070 nan 8.210 nan 0.000 0.413 32 F N 1.069 120.834 119.950 -0.309 0.000 2.084 32 F HA -0.192 4.336 4.527 0.001 0.000 0.296 32 F C 2.371 178.032 175.800 -0.232 0.000 1.111 32 F CA 1.684 59.618 58.000 -0.110 0.000 1.224 32 F CB -0.344 38.672 39.000 0.026 0.000 0.991 32 F HN -0.245 nan 8.300 nan 0.000 0.471 33 V N 0.837 120.574 119.914 -0.294 0.000 2.295 33 V HA -0.290 3.831 4.120 0.001 0.000 0.246 33 V C 2.466 178.372 176.094 -0.314 0.000 1.049 33 V CA 2.190 64.251 62.300 -0.398 0.000 1.024 33 V CB -0.789 30.636 31.823 -0.664 0.000 0.648 33 V HN 0.257 nan 8.190 nan 0.000 0.447 34 R N -1.016 119.333 120.500 -0.252 0.000 2.094 34 R HA -0.242 4.099 4.340 0.001 0.000 0.239 34 R C 2.340 178.527 176.300 -0.187 0.000 1.137 34 R CA 2.352 58.354 56.100 -0.164 0.000 0.943 34 R CB -0.733 29.498 30.300 -0.116 0.000 0.850 34 R HN 0.616 nan 8.270 nan 0.000 0.433 35 Y N 1.746 121.835 120.300 -0.351 0.000 2.014 35 Y HA -0.294 4.256 4.550 0.001 0.000 0.272 35 Y C 2.012 177.600 175.900 -0.520 0.000 1.164 35 Y CA 1.724 59.513 58.100 -0.519 0.000 1.114 35 Y CB -0.732 37.335 38.460 -0.655 0.000 0.961 35 Y HN -0.016 nan 8.280 nan 0.000 0.489 36 L N 0.011 120.761 121.223 -0.788 0.000 2.089 36 L HA -0.328 4.012 4.340 0.001 0.000 0.213 36 L C 2.718 179.280 176.870 -0.513 0.000 1.079 36 L CA 1.920 56.285 54.840 -0.791 0.000 0.758 36 L CB -0.498 41.126 42.059 -0.724 0.000 0.891 36 L HN 0.282 nan 8.230 nan 0.000 0.433 37 R N -0.385 119.908 120.500 -0.344 0.000 2.075 37 R HA -0.101 4.239 4.340 0.001 0.000 0.232 37 R C 2.240 178.449 176.300 -0.152 0.000 1.126 37 R CA 1.037 57.027 56.100 -0.184 0.000 0.963 37 R CB -0.352 29.885 30.300 -0.105 0.000 0.858 37 R HN 0.335 nan 8.270 nan 0.000 0.435 38 L N 0.682 121.807 121.223 -0.163 0.000 2.201 38 L HA -0.126 4.214 4.340 0.001 0.000 0.212 38 L C 2.268 179.119 176.870 -0.030 0.000 1.105 38 L CA 0.965 55.810 54.840 0.008 0.000 0.775 38 L CB -0.175 42.046 42.059 0.269 0.000 0.913 38 L HN -0.004 nan 8.230 nan 0.000 0.440 39 K N 0.274 120.465 120.400 -0.347 0.000 2.432 39 K HA 0.030 4.350 4.320 0.001 0.000 0.196 39 K C 1.312 177.815 176.600 -0.162 0.000 1.038 39 K CA 0.887 56.963 56.287 -0.353 0.000 0.986 39 K CB -0.021 32.036 32.500 -0.738 0.000 0.782 39 K HN 0.232 nan 8.250 nan 0.000 0.485 40 G N 0.225 108.947 108.800 -0.130 0.000 2.176 40 G HA2 -0.313 3.647 3.960 0.001 0.000 0.253 40 G HA3 -0.313 3.647 3.960 0.001 0.000 0.253 40 G C -0.013 174.857 174.900 -0.051 0.000 0.979 40 G CA 0.421 45.488 45.100 -0.055 0.000 0.641 40 G HN 0.412 nan 8.290 nan 0.000 0.530 41 E N 0.763 120.900 120.200 -0.105 0.000 2.447 41 E HA 0.368 4.718 4.350 0.001 0.000 0.259 41 E C 0.197 176.817 176.600 0.033 0.000 1.196 41 E CA 0.120 56.496 56.400 -0.040 0.000 0.995 41 E CB 0.382 30.008 29.700 -0.125 0.000 0.974 41 E HN 0.201 nan 8.360 nan 0.000 0.465 42 D N 1.812 122.289 120.400 0.129 0.000 2.428 42 D HA 0.237 4.878 4.640 0.001 0.000 0.221 42 D C -1.607 174.868 176.300 0.291 0.000 1.123 42 D CA -0.294 53.819 54.000 0.189 0.000 0.869 42 D CB 0.453 41.362 40.800 0.182 0.000 1.032 42 D HN 0.116 nan 8.370 nan 0.000 0.506 43 V N 4.032 124.079 119.914 0.222 0.000 2.789 43 V HA 0.575 4.695 4.120 0.001 0.000 0.311 43 V C -1.283 174.914 176.094 0.171 0.000 1.073 43 V CA -0.527 61.911 62.300 0.231 0.000 0.921 43 V CB 2.250 34.122 31.823 0.082 0.000 1.009 43 V HN 0.278 nan 8.190 nan 0.000 0.426 44 V N 6.560 126.560 119.914 0.144 0.000 2.495 44 V HA 0.522 4.643 4.120 0.001 0.000 0.298 44 V C -0.660 175.574 176.094 0.235 0.000 1.031 44 V CA -0.451 61.899 62.300 0.083 0.000 0.871 44 V CB 1.671 33.409 31.823 -0.142 0.000 0.988 44 V HN 0.793 nan 8.190 nan 0.000 0.432 45 F N 5.792 125.766 119.950 0.039 0.000 2.434 45 F HA 0.635 5.162 4.527 0.001 0.000 0.355 45 F C -0.771 175.118 175.800 0.148 0.000 1.115 45 F CA -0.777 57.284 58.000 0.101 0.000 1.010 45 F CB 0.714 39.751 39.000 0.062 0.000 1.234 45 F HN 0.273 nan 8.300 nan 0.000 0.439 46 I N 5.291 125.992 120.570 0.218 0.000 2.693 46 I HA 0.495 4.665 4.170 0.001 0.000 0.303 46 I C -0.364 175.674 176.117 -0.132 0.000 1.025 46 I CA -0.634 60.676 61.300 0.018 0.000 1.086 46 I CB 1.497 39.624 38.000 0.212 0.000 1.268 46 I HN 0.717 nan 8.210 nan 0.000 0.440 47 C N 2.378 121.412 119.300 -0.442 0.000 3.231 47 C HA 0.831 5.291 4.460 0.001 0.000 0.343 47 C C -0.302 174.136 174.990 -0.920 0.000 1.349 47 C CA 0.203 58.865 59.018 -0.592 0.000 1.209 47 C CB 1.263 28.363 27.740 -1.068 0.000 1.475 47 C HN 1.089 nan 8.230 nan 0.000 0.460 48 G N 0.835 109.022 108.800 -1.021 0.000 2.441 48 G HA2 0.611 4.572 3.960 0.001 0.000 0.294 48 G HA3 0.611 4.572 3.960 0.001 0.000 0.294 48 G C -0.908 173.449 174.900 -0.904 0.000 1.393 48 G CA 0.343 44.479 45.100 -1.607 0.000 0.796 48 G HN 1.296 nan 8.290 nan 0.000 0.494 49 T N -0.668 113.486 114.554 -0.667 0.000 2.856 49 T HA 0.488 4.838 4.350 0.001 0.000 0.292 49 T C -0.491 174.010 174.700 -0.331 0.000 0.980 49 T CA -0.551 61.386 62.100 -0.271 0.000 1.091 49 T CB 1.938 70.775 68.868 -0.052 0.000 0.936 49 T HN 0.420 nan 8.240 nan 0.000 0.503 50 D N 1.754 122.000 120.400 -0.257 0.000 2.336 50 D HA 0.089 4.730 4.640 0.001 0.000 0.249 50 D C 0.291 176.384 176.300 -0.344 0.000 1.213 50 D CA -0.210 53.629 54.000 -0.269 0.000 0.870 50 D CB 0.733 41.495 40.800 -0.063 0.000 1.076 50 D HN 0.689 nan 8.370 nan 0.000 0.483 51 E N 2.759 122.684 120.200 -0.458 0.000 2.558 51 E HA 0.117 4.468 4.350 0.001 0.000 0.205 51 E C -0.252 176.217 176.600 -0.219 0.000 1.006 51 E CA -0.242 55.926 56.400 -0.387 0.000 0.961 51 E CB 0.619 30.138 29.700 -0.302 0.000 1.044 51 E HN 0.572 nan 8.360 nan 0.000 0.465 52 H N -0.648 118.448 119.070 0.043 0.000 3.024 52 H HA 0.734 5.291 4.556 0.001 0.000 0.305 52 H C 0.294 175.816 175.328 0.322 0.000 1.506 52 H CA -0.827 55.294 56.048 0.123 0.000 1.324 52 H CB 2.031 31.735 29.762 -0.096 0.000 1.925 52 H HN 0.117 nan 8.280 nan 0.000 0.661 53 G N -0.747 108.340 108.800 0.477 0.000 2.515 53 G HA2 -0.183 3.777 3.960 0.001 0.000 0.686 53 G HA3 -0.183 3.777 3.960 0.001 0.000 0.686 53 G C 0.498 175.643 174.900 0.408 0.000 1.274 53 G CA -0.183 45.187 45.100 0.450 0.000 0.874 53 G HN 0.553 nan 8.290 nan 0.000 0.631 54 T N 1.837 116.566 114.554 0.291 0.000 2.652 54 T HA -0.061 4.290 4.350 0.001 0.000 0.267 54 T C 0.052 174.866 174.700 0.190 0.000 1.039 54 T CA 2.490 64.709 62.100 0.198 0.000 1.153 54 T CB -0.970 67.945 68.868 0.078 0.000 0.863 54 T HN 0.442 nan 8.240 nan 0.000 0.428 55 P HA -0.134 nan 4.420 nan 0.000 0.212 55 P C 1.577 179.024 177.300 0.245 0.000 1.174 55 P CA 1.206 64.468 63.100 0.270 0.000 0.934 55 P CB -0.269 31.621 31.700 0.316 0.000 0.791 56 I N -0.978 119.772 120.570 0.301 0.000 2.185 56 I HA -0.330 3.840 4.170 0.001 0.000 0.246 56 I C 2.247 178.406 176.117 0.069 0.000 1.088 56 I CA 1.831 63.199 61.300 0.114 0.000 1.347 56 I CB -0.815 37.228 38.000 0.071 0.000 1.041 56 I HN 0.011 nan 8.210 nan 0.000 0.415 57 S N 0.696 116.496 115.700 0.166 0.000 2.356 57 S HA -0.182 4.288 4.470 0.001 0.000 0.223 57 S C 1.819 176.530 174.600 0.184 0.000 1.032 57 S CA 1.279 59.573 58.200 0.157 0.000 1.005 57 S CB -0.505 62.865 63.200 0.284 0.000 0.867 57 S HN 0.426 nan 8.310 nan 0.000 0.449 58 F N 3.244 123.143 119.950 -0.085 0.000 2.011 58 F HA -0.158 4.369 4.527 0.001 0.000 0.296 58 F C 2.365 178.134 175.800 -0.052 0.000 1.144 58 F CA 1.803 59.688 58.000 -0.192 0.000 1.185 58 F CB -1.241 37.562 39.000 -0.329 0.000 0.961 58 F HN 0.066 nan 8.300 nan 0.000 0.485 59 R N 0.426 120.824 120.500 -0.170 0.000 2.174 59 R HA -0.242 4.098 4.340 0.001 0.000 0.253 59 R C 2.231 178.476 176.300 -0.091 0.000 1.165 59 R CA 1.602 57.539 56.100 -0.272 0.000 0.984 59 R CB -0.693 29.489 30.300 -0.195 0.000 0.873 59 R HN 0.466 nan 8.270 nan 0.000 0.456 60 A N 1.213 124.015 122.820 -0.030 0.000 1.877 60 A HA -0.153 4.167 4.320 0.001 0.000 0.216 60 A C 2.133 179.728 177.584 0.018 0.000 1.186 60 A CA 1.153 53.165 52.037 -0.042 0.000 0.620 60 A CB -0.606 18.343 19.000 -0.086 0.000 0.822 60 A HN 0.402 nan 8.150 nan 0.000 0.443 61 L N -0.071 121.219 121.223 0.111 0.000 2.093 61 L HA -0.149 4.192 4.340 0.001 0.000 0.208 61 L C 2.248 179.189 176.870 0.118 0.000 1.085 61 L CA 2.607 57.529 54.840 0.137 0.000 0.755 61 L CB -0.877 41.328 42.059 0.244 0.000 0.904 61 L HN 0.583 nan 8.230 nan 0.000 0.435 62 K N -0.091 120.389 120.400 0.134 0.000 1.987 62 K HA -0.234 4.086 4.320 0.001 0.000 0.216 62 K C 1.579 178.186 176.600 0.013 0.000 1.051 62 K CA 1.813 58.143 56.287 0.072 0.000 0.942 62 K CB -0.097 32.361 32.500 -0.070 0.000 0.722 62 K HN 0.201 nan 8.250 nan 0.000 0.444 63 E N -0.170 120.013 120.200 -0.028 0.000 2.445 63 E HA 0.044 4.395 4.350 0.001 0.000 0.189 63 E C 0.024 176.605 176.600 -0.032 0.000 1.069 63 E CA 0.553 56.931 56.400 -0.038 0.000 0.871 63 E CB 0.219 29.881 29.700 -0.064 0.000 0.991 63 E HN 0.634 nan 8.360 nan 0.000 0.481 64 G N 2.242 111.034 108.800 -0.014 0.000 2.371 64 G HA2 -0.330 3.631 3.960 0.001 0.000 0.299 64 G HA3 -0.330 3.631 3.960 0.001 0.000 0.299 64 G C -0.029 174.847 174.900 -0.039 0.000 1.014 64 G CA 0.744 45.834 45.100 -0.017 0.000 1.097 64 G HN 0.178 nan 8.290 nan 0.000 0.512 65 R N -0.637 119.829 120.500 -0.056 0.000 2.771 65 R HA 0.661 5.001 4.340 0.001 0.000 0.274 65 R C 0.413 176.644 176.300 -0.114 0.000 0.987 65 R CA -0.241 55.808 56.100 -0.085 0.000 0.908 65 R CB 1.512 31.751 30.300 -0.102 0.000 1.213 65 R HN 0.494 nan 8.270 nan 0.000 0.468 66 S N 0.902 116.517 115.700 -0.141 0.000 2.580 66 S HA 0.181 4.651 4.470 0.001 0.000 0.274 66 S C -1.914 172.479 174.600 -0.344 0.000 1.329 66 S CA -0.985 57.088 58.200 -0.211 0.000 1.036 66 S CB 1.255 64.346 63.200 -0.183 0.000 0.919 66 S HN 0.344 nan 8.310 nan 0.000 0.515 67 P HA -0.113 nan 4.420 nan 0.000 0.217 67 P C 1.596 178.405 177.300 -0.818 0.000 1.148 67 P CA 0.907 63.495 63.100 -0.853 0.000 0.828 67 P CB 0.058 30.777 31.700 -1.635 0.000 0.783 68 R N 0.659 120.666 120.500 -0.822 0.000 2.075 68 R HA -0.120 4.220 4.340 0.001 0.000 0.232 68 R C 1.994 178.192 176.300 -0.170 0.000 1.126 68 R CA 1.688 57.585 56.100 -0.339 0.000 0.963 68 R CB -1.100 29.124 30.300 -0.127 0.000 0.858 68 R HN 0.172 nan 8.270 nan 0.000 0.435 69 E N 0.184 120.268 120.200 -0.193 0.000 2.038 69 E HA -0.222 4.128 4.350 0.001 0.000 0.195 69 E C 2.006 178.514 176.600 -0.153 0.000 1.000 69 E CA 1.820 58.134 56.400 -0.144 0.000 0.803 69 E CB -0.436 29.179 29.700 -0.142 0.000 0.750 69 E HN 0.578 nan 8.360 nan 0.000 0.448 70 I N -0.070 120.396 120.570 -0.173 0.000 2.252 70 I HA -0.203 3.967 4.170 0.001 0.000 0.245 70 I C 2.430 178.500 176.117 -0.078 0.000 1.102 70 I CA 1.294 62.501 61.300 -0.155 0.000 1.385 70 I CB -0.257 37.683 38.000 -0.100 0.000 1.064 70 I HN 0.015 nan 8.210 nan 0.000 0.414 71 V N -0.849 119.042 119.914 -0.037 0.000 2.515 71 V HA -0.178 3.942 4.120 0.001 0.000 0.250 71 V C 2.017 178.141 176.094 0.051 0.000 1.058 71 V CA 2.001 64.325 62.300 0.040 0.000 1.064 71 V CB -1.201 30.663 31.823 0.068 0.000 0.675 71 V HN 0.354 nan 8.190 nan 0.000 0.461 72 D N 0.453 120.855 120.400 0.004 0.000 2.144 72 D HA -0.129 4.511 4.640 0.001 0.000 0.200 72 D C 2.157 178.451 176.300 -0.011 0.000 0.978 72 D CA 1.749 55.758 54.000 0.016 0.000 0.833 72 D CB -0.083 40.709 40.800 -0.013 0.000 0.961 72 D HN 0.745 nan 8.370 nan 0.000 0.470 73 E N -0.724 119.405 120.200 -0.118 0.000 2.047 73 E HA -0.110 4.240 4.350 0.001 0.000 0.191 73 E C 1.740 178.182 176.600 -0.263 0.000 0.987 73 E CA 0.663 56.914 56.400 -0.248 0.000 0.799 73 E CB -0.117 29.325 29.700 -0.430 0.000 0.752 73 E HN 0.272 nan 8.360 nan 0.000 0.449 74 F N -0.300 119.607 119.950 -0.071 0.000 2.456 74 F HA -0.078 4.449 4.527 0.001 0.000 0.298 74 F C 2.458 178.225 175.800 -0.054 0.000 1.104 74 F CA 0.682 58.625 58.000 -0.095 0.000 1.435 74 F CB 0.023 38.954 39.000 -0.115 0.000 1.078 74 F HN 0.246 nan 8.300 nan 0.000 0.546 75 H N 0.357 119.488 119.070 0.103 0.000 2.357 75 H HA -0.138 4.419 4.556 0.001 0.000 0.301 75 H C 2.121 177.514 175.328 0.107 0.000 1.082 75 H CA 1.468 57.578 56.048 0.104 0.000 1.342 75 H CB 0.124 29.909 29.762 0.037 0.000 1.389 75 H HN 0.168 nan 8.280 nan 0.000 0.511 76 E N 0.603 120.791 120.200 -0.021 0.000 2.047 76 E HA -0.157 4.193 4.350 0.001 0.000 0.191 76 E C 2.291 178.821 176.600 -0.118 0.000 0.987 76 E CA 0.574 56.927 56.400 -0.077 0.000 0.799 76 E CB -0.055 29.630 29.700 -0.024 0.000 0.752 76 E HN 0.493 nan 8.360 nan 0.000 0.449 77 Q N 0.549 120.294 119.800 -0.091 0.000 2.096 77 Q HA -0.146 4.194 4.340 0.001 0.000 0.204 77 Q C 2.353 178.251 176.000 -0.169 0.000 0.982 77 Q CA 1.207 56.945 55.803 -0.108 0.000 0.850 77 Q CB -0.259 28.450 28.738 -0.048 0.000 0.901 77 Q HN 0.362 nan 8.270 nan 0.000 0.422 78 I N 0.574 121.036 120.570 -0.179 0.000 2.333 78 I HA -0.240 3.930 4.170 0.001 0.000 0.246 78 I C 2.577 178.362 176.117 -0.554 0.000 1.106 78 I CA 1.100 62.164 61.300 -0.393 0.000 1.411 78 I CB -0.336 37.499 38.000 -0.274 0.000 1.082 78 I HN 0.189 nan 8.210 nan 0.000 0.420 79 K N 1.640 121.783 120.400 -0.427 0.000 2.057 79 K HA -0.196 4.124 4.320 0.001 0.000 0.207 79 K C 2.089 178.526 176.600 -0.272 0.000 1.049 79 K CA 1.592 57.581 56.287 -0.496 0.000 0.931 79 K CB -0.046 32.255 32.500 -0.331 0.000 0.714 79 K HN 0.142 nan 8.250 nan 0.000 0.440 80 I N 1.897 122.350 120.570 -0.195 0.000 2.252 80 I HA -0.180 3.991 4.170 0.001 0.000 0.245 80 I C 2.133 178.186 176.117 -0.108 0.000 1.102 80 I CA 1.364 62.599 61.300 -0.108 0.000 1.385 80 I CB -1.397 36.559 38.000 -0.074 0.000 1.064 80 I HN 0.310 nan 8.210 nan 0.000 0.414 81 T N 1.423 115.863 114.554 -0.190 0.000 2.684 81 T HA -0.171 4.179 4.350 0.001 0.000 0.267 81 T C 1.764 176.374 174.700 -0.151 0.000 1.036 81 T CA 1.415 63.407 62.100 -0.179 0.000 1.148 81 T CB -0.352 68.342 68.868 -0.291 0.000 0.863 81 T HN 0.059 nan 8.240 nan 0.000 0.436 82 F N 1.492 121.318 119.950 -0.206 0.000 2.216 82 F HA -0.030 4.497 4.527 0.001 0.000 0.300 82 F C 2.612 178.315 175.800 -0.162 0.000 1.085 82 F CA 0.608 58.476 58.000 -0.221 0.000 1.326 82 F CB -0.804 38.011 39.000 -0.308 0.000 1.027 82 F HN 0.167 nan 8.300 nan 0.000 0.497 83 Q N -0.345 119.481 119.800 0.044 0.000 2.079 83 Q HA -0.132 4.208 4.340 0.001 0.000 0.200 83 Q C 2.409 178.428 176.000 0.032 0.000 0.974 83 Q CA 1.286 57.102 55.803 0.023 0.000 0.840 83 Q CB -0.066 28.678 28.738 0.009 0.000 0.898 83 Q HN 0.231 nan 8.270 nan 0.000 0.430 84 R N -0.303 120.215 120.500 0.031 0.000 2.081 84 R HA -0.083 4.257 4.340 0.001 0.000 0.235 84 R C 2.063 178.405 176.300 0.071 0.000 1.131 84 R CA 1.275 57.406 56.100 0.051 0.000 0.960 84 R CB -0.422 29.911 30.300 0.055 0.000 0.856 84 R HN 0.212 nan 8.270 nan 0.000 0.436 85 A N 1.001 123.867 122.820 0.077 0.000 2.119 85 A HA -0.065 4.255 4.320 0.001 0.000 0.217 85 A C 0.468 178.089 177.584 0.063 0.000 1.153 85 A CA 0.501 52.595 52.037 0.095 0.000 0.692 85 A CB 0.085 19.167 19.000 0.137 0.000 0.799 85 A HN 0.183 nan 8.150 nan 0.000 0.458 86 K N -1.122 119.299 120.400 0.035 0.000 3.218 86 K HA -0.121 4.200 4.320 0.001 0.000 0.276 86 K C -0.639 175.925 176.600 -0.061 0.000 1.173 86 K CA 0.548 56.838 56.287 0.004 0.000 0.812 86 K CB -2.011 30.508 32.500 0.032 0.000 1.275 86 K HN 0.432 nan 8.250 nan 0.000 0.504 87 I N 1.692 122.178 120.570 -0.140 0.000 2.291 87 I HA 0.028 4.198 4.170 0.001 0.000 0.292 87 I C 1.347 177.200 176.117 -0.441 0.000 1.064 87 I CA -0.003 61.072 61.300 -0.374 0.000 1.269 87 I CB 0.896 38.473 38.000 -0.706 0.000 1.418 87 I HN 0.081 nan 8.210 nan 0.000 0.485 88 S N 5.589 121.152 115.700 -0.228 0.000 3.227 88 S HA 0.199 4.669 4.470 0.001 0.000 0.249 88 S C 0.185 174.752 174.600 -0.056 0.000 1.322 88 S CA -0.543 57.602 58.200 -0.092 0.000 1.253 88 S CB -1.232 61.975 63.200 0.011 0.000 1.076 88 S HN 0.284 nan 8.310 nan 0.000 0.471 89 F N 2.520 122.281 119.950 -0.316 0.000 2.623 89 F HA 0.033 4.560 4.527 0.001 0.000 0.386 89 F C 1.387 177.044 175.800 -0.239 0.000 1.068 89 F CA -0.406 57.206 58.000 -0.647 0.000 1.265 89 F CB 0.034 38.665 39.000 -0.615 0.000 1.026 89 F HN 0.203 nan 8.300 nan 0.000 0.568 90 D N 1.679 122.086 120.400 0.012 0.000 2.263 90 D HA -0.122 4.519 4.640 0.001 0.000 0.208 90 D C -0.050 176.172 176.300 -0.131 0.000 0.971 90 D CA 1.544 55.502 54.000 -0.071 0.000 0.867 90 D CB -0.036 40.664 40.800 -0.167 0.000 0.929 90 D HN 0.274 nan 8.370 nan 0.000 0.492 91 F N -0.385 119.399 119.950 -0.277 0.000 2.669 91 F HA 0.319 4.846 4.527 0.001 0.000 0.315 91 F C -2.270 173.474 175.800 -0.094 0.000 1.109 91 F CA -1.633 56.251 58.000 -0.194 0.000 1.028 91 F CB 0.727 39.516 39.000 -0.352 0.000 1.287 91 F HN -0.295 nan 8.300 nan 0.000 0.452 92 F N 5.851 125.285 119.950 -0.860 0.000 2.359 92 F HA 0.724 5.251 4.527 0.001 0.000 0.370 92 F C 0.267 175.453 175.800 -1.025 0.000 1.077 92 F CA -0.379 57.092 58.000 -0.882 0.000 1.136 92 F CB 0.591 39.315 39.000 -0.461 0.000 1.387 92 F HN 0.649 nan 8.300 nan 0.000 0.468 93 G N 4.571 112.453 108.800 -1.530 0.000 2.574 93 G HA2 0.686 4.646 3.960 0.001 0.000 0.248 93 G HA3 0.686 4.646 3.960 0.001 0.000 0.248 93 G C -1.030 173.405 174.900 -0.775 0.000 1.422 93 G CA -0.873 43.620 45.100 -1.012 0.000 1.051 93 G HN 0.656 nan 8.290 nan 0.000 0.560 94 R N -2.144 118.025 120.500 -0.551 0.000 2.629 94 R HA 0.354 4.694 4.340 0.001 0.000 0.266 94 R C -0.083 175.961 176.300 -0.426 0.000 1.051 94 R CA -0.226 55.559 56.100 -0.524 0.000 0.895 94 R CB 0.765 30.712 30.300 -0.588 0.000 1.246 94 R HN 0.535 nan 8.270 nan 0.000 0.459 95 T N -2.172 112.070 114.554 -0.520 0.000 3.400 95 T HA 0.026 4.377 4.350 0.001 0.000 0.254 95 T C 0.531 175.131 174.700 -0.167 0.000 1.153 95 T CA 0.383 62.118 62.100 -0.608 0.000 1.012 95 T CB -0.095 68.257 68.868 -0.860 0.000 0.994 95 T HN 0.537 nan 8.240 nan 0.000 0.555 96 E N 0.273 120.418 120.200 -0.092 0.000 2.481 96 E HA 0.313 4.663 4.350 0.001 0.000 0.198 96 E C 0.487 177.159 176.600 0.120 0.000 1.027 96 E CA -0.195 56.289 56.400 0.141 0.000 0.900 96 E CB 0.137 29.866 29.700 0.048 0.000 0.993 96 E HN 0.593 nan 8.360 nan 0.000 0.482 97 L N 1.909 123.171 121.223 0.064 0.000 2.499 97 L HA -0.004 4.337 4.340 0.001 0.000 0.273 97 L C -1.334 175.591 176.870 0.091 0.000 1.195 97 L CA -1.048 53.820 54.840 0.046 0.000 0.882 97 L CB 0.554 42.638 42.059 0.042 0.000 1.133 97 L HN -0.119 nan 8.230 nan 0.000 0.483 98 P HA -0.256 nan 4.420 nan 0.000 0.216 98 P C 1.558 178.895 177.300 0.061 0.000 1.157 98 P CA 1.163 64.214 63.100 -0.082 0.000 0.880 98 P CB 0.172 31.819 31.700 -0.089 0.000 0.791 99 I N -1.450 119.160 120.570 0.066 0.000 2.335 99 I HA -0.263 3.907 4.170 0.001 0.000 0.251 99 I C 2.269 178.447 176.117 0.102 0.000 1.129 99 I CA 1.685 63.026 61.300 0.069 0.000 1.402 99 I CB -0.929 37.093 38.000 0.036 0.000 1.069 99 I HN 0.082 nan 8.210 nan 0.000 0.424 100 H N -1.017 118.088 119.070 0.058 0.000 2.326 100 H HA -0.227 4.329 4.556 0.001 0.000 0.301 100 H C 2.119 177.497 175.328 0.082 0.000 1.081 100 H CA 2.142 58.203 56.048 0.020 0.000 1.334 100 H CB -0.207 29.551 29.762 -0.006 0.000 1.385 100 H HN 0.345 nan 8.280 nan 0.000 0.504 101 Y N 1.413 121.641 120.300 -0.120 0.000 2.151 101 Y HA -0.232 4.319 4.550 0.001 0.000 0.284 101 Y C 2.940 178.767 175.900 -0.121 0.000 1.166 101 Y CA 1.795 59.801 58.100 -0.156 0.000 1.163 101 Y CB -0.313 38.099 38.460 -0.080 0.000 0.974 101 Y HN 0.184 nan 8.280 nan 0.000 0.511 102 K N -0.181 120.288 120.400 0.115 0.000 2.025 102 K HA -0.180 4.141 4.320 0.001 0.000 0.207 102 K C 2.102 178.761 176.600 0.098 0.000 1.049 102 K CA 1.297 57.640 56.287 0.094 0.000 0.933 102 K CB -0.492 32.064 32.500 0.093 0.000 0.714 102 K HN 0.233 nan 8.250 nan 0.000 0.438 103 L N 1.174 122.440 121.223 0.073 0.000 2.046 103 L HA -0.140 4.200 4.340 0.001 0.000 0.208 103 L C 2.077 179.059 176.870 0.187 0.000 1.077 103 L CA 1.705 56.642 54.840 0.161 0.000 0.747 103 L CB -0.489 41.618 42.059 0.079 0.000 0.896 103 L HN 0.102 nan 8.230 nan 0.000 0.432 104 S N -0.724 114.911 115.700 -0.109 0.000 2.353 104 S HA -0.269 4.201 4.470 0.001 0.000 0.222 104 S C 1.855 176.543 174.600 0.145 0.000 1.035 104 S CA 1.587 59.698 58.200 -0.148 0.000 1.025 104 S CB -0.437 62.480 63.200 -0.473 0.000 0.902 104 S HN 0.543 nan 8.310 nan 0.000 0.440 105 Q N 0.260 120.103 119.800 0.073 0.000 2.152 105 Q HA -0.225 4.116 4.340 0.001 0.000 0.206 105 Q C 2.295 178.434 176.000 0.231 0.000 0.985 105 Q CA 1.567 57.457 55.803 0.144 0.000 0.863 105 Q CB -0.164 28.614 28.738 0.067 0.000 0.904 105 Q HN 0.436 nan 8.270 nan 0.000 0.422 106 E N 0.222 120.553 120.200 0.219 0.000 2.047 106 E HA -0.150 4.200 4.350 0.001 0.000 0.191 106 E C 1.435 178.114 176.600 0.131 0.000 0.987 106 E CA 1.022 57.520 56.400 0.163 0.000 0.799 106 E CB -0.306 29.536 29.700 0.237 0.000 0.752 106 E HN 0.246 nan 8.360 nan 0.000 0.449 107 F N -0.190 119.868 119.950 0.180 0.000 2.087 107 F HA -0.205 4.322 4.527 0.001 0.000 0.299 107 F C 2.125 178.096 175.800 0.284 0.000 1.100 107 F CA 1.923 60.072 58.000 0.249 0.000 1.226 107 F CB -0.593 38.533 39.000 0.210 0.000 0.983 107 F HN 0.181 nan 8.300 nan 0.000 0.479 108 F N -0.134 120.066 119.950 0.417 0.000 2.186 108 F HA -0.165 4.362 4.527 0.001 0.000 0.299 108 F C 2.053 177.899 175.800 0.077 0.000 1.090 108 F CA 1.355 59.493 58.000 0.231 0.000 1.307 108 F CB -0.591 38.475 39.000 0.111 0.000 1.019 108 F HN -0.079 nan 8.300 nan 0.000 0.489 109 L N 0.129 121.332 121.223 -0.033 0.000 2.141 109 L HA -0.167 4.174 4.340 0.001 0.000 0.209 109 L C 2.357 179.126 176.870 -0.169 0.000 1.094 109 L CA 0.990 55.722 54.840 -0.180 0.000 0.763 109 L CB -0.428 41.594 42.059 -0.060 0.000 0.908 109 L HN -0.013 nan 8.230 nan 0.000 0.437 110 K N -0.280 119.993 120.400 -0.212 0.000 2.211 110 K HA -0.056 4.265 4.320 0.001 0.000 0.203 110 K C 1.967 178.518 176.600 -0.082 0.000 1.050 110 K CA 1.205 57.330 56.287 -0.270 0.000 0.945 110 K CB -0.170 31.894 32.500 -0.727 0.000 0.732 110 K HN 0.311 nan 8.250 nan 0.000 0.451 111 A N -0.124 122.672 122.820 -0.040 0.000 1.970 111 A HA -0.137 4.183 4.320 0.001 0.000 0.216 111 A C 2.081 179.648 177.584 -0.028 0.000 1.170 111 A CA 0.736 52.818 52.037 0.076 0.000 0.645 111 A CB -0.497 18.557 19.000 0.089 0.000 0.816 111 A HN 0.290 nan 8.150 nan 0.000 0.447 112 Y N 0.946 121.038 120.300 -0.347 0.000 2.089 112 Y HA -0.194 4.356 4.550 0.001 0.000 0.282 112 Y C 2.227 178.023 175.900 -0.173 0.000 1.139 112 Y CA 2.292 60.185 58.100 -0.344 0.000 1.123 112 Y CB -0.291 37.883 38.460 -0.477 0.000 0.980 112 Y HN 0.435 nan 8.280 nan 0.000 0.493 113 E N -0.211 120.004 120.200 0.026 0.000 2.331 113 E HA -0.222 4.129 4.350 0.001 0.000 0.199 113 E C 0.546 177.109 176.600 -0.061 0.000 1.008 113 E CA 1.262 57.656 56.400 -0.009 0.000 0.843 113 E CB -0.352 29.344 29.700 -0.007 0.000 0.761 113 E HN 0.657 nan 8.360 nan 0.000 0.507 114 N N -0.378 118.288 118.700 -0.056 0.000 2.328 114 N HA 0.133 4.874 4.740 0.001 0.000 0.247 114 N C -0.008 175.285 175.510 -0.362 0.000 1.165 114 N CA -0.046 52.938 53.050 -0.110 0.000 0.873 114 N CB 1.413 39.963 38.487 0.106 0.000 1.125 114 N HN 0.054 nan 8.380 nan 0.000 0.513 115 G N 1.511 110.146 108.800 -0.275 0.000 2.421 115 G HA2 -0.296 3.664 3.960 0.001 0.000 0.300 115 G HA3 -0.296 3.664 3.960 0.001 0.000 0.300 115 G C 0.284 175.017 174.900 -0.279 0.000 0.974 115 G CA 0.372 45.300 45.100 -0.287 0.000 1.062 115 G HN 0.618 nan 8.290 nan 0.000 0.514 116 H N -1.220 117.857 119.070 0.011 0.000 2.549 116 H HA 0.312 4.868 4.556 0.001 0.000 0.279 116 H C 1.413 176.831 175.328 0.149 0.000 1.018 116 H CA 0.318 56.442 56.048 0.126 0.000 1.175 116 H CB 0.461 30.404 29.762 0.301 0.000 1.485 116 H HN 0.413 nan 8.280 nan 0.000 0.543 117 L N 0.200 121.507 121.223 0.139 0.000 2.286 117 L HA 0.561 4.901 4.340 0.001 0.000 0.265 117 L C -0.375 176.598 176.870 0.171 0.000 1.012 117 L CA -1.120 53.834 54.840 0.190 0.000 0.818 117 L CB 2.888 45.033 42.059 0.143 0.000 1.337 117 L HN -0.194 nan 8.230 nan 0.000 0.438 118 V N 1.348 121.433 119.914 0.286 0.000 2.697 118 V HA 0.295 4.416 4.120 0.001 0.000 0.296 118 V C -0.803 175.413 176.094 0.202 0.000 1.140 118 V CA -0.660 61.752 62.300 0.187 0.000 0.921 118 V CB 1.861 33.739 31.823 0.091 0.000 1.036 118 V HN 0.768 nan 8.190 nan 0.000 0.438 119 K N 5.349 125.787 120.400 0.064 0.000 2.258 119 K HA 0.600 4.920 4.320 0.001 0.000 0.264 119 K C -0.583 175.969 176.600 -0.079 0.000 1.007 119 K CA -0.065 56.108 56.287 -0.190 0.000 0.941 119 K CB 0.739 33.024 32.500 -0.357 0.000 0.966 119 K HN 0.793 nan 8.250 nan 0.000 0.480 120 K N 1.701 122.079 120.400 -0.037 0.000 2.557 120 K HA 0.310 4.631 4.320 0.001 0.000 0.261 120 K C -1.740 174.882 176.600 0.037 0.000 0.932 120 K CA -0.936 55.318 56.287 -0.056 0.000 0.829 120 K CB 2.305 34.638 32.500 -0.279 0.000 1.358 120 K HN 0.216 nan 8.250 nan 0.000 0.430 121 V N 2.076 121.995 119.914 0.009 0.000 2.398 121 V HA 0.451 4.571 4.120 0.001 0.000 0.286 121 V C -0.324 175.806 176.094 0.060 0.000 1.026 121 V CA -0.323 62.006 62.300 0.048 0.000 0.868 121 V CB 1.658 33.492 31.823 0.018 0.000 0.982 121 V HN 0.793 nan 8.190 nan 0.000 0.443 122 T N 4.282 118.907 114.554 0.118 0.000 2.916 122 T HA 0.471 4.822 4.350 0.001 0.000 0.292 122 T C -0.507 174.263 174.700 0.117 0.000 1.055 122 T CA -0.924 61.236 62.100 0.100 0.000 1.009 122 T CB 1.705 70.651 68.868 0.130 0.000 1.118 122 T HN 0.758 nan 8.240 nan 0.000 0.497 123 K N 1.967 122.407 120.400 0.067 0.000 2.258 123 K HA 0.639 4.959 4.320 0.001 0.000 0.284 123 K C -0.288 176.405 176.600 0.155 0.000 1.051 123 K CA -0.669 55.661 56.287 0.073 0.000 0.923 123 K CB 1.101 33.566 32.500 -0.058 0.000 1.046 123 K HN 0.464 nan 8.250 nan 0.000 0.474 124 Q N 0.869 120.849 119.800 0.300 0.000 2.683 124 Q HA 0.553 4.894 4.340 0.001 0.000 0.302 124 Q C -0.921 175.341 176.000 0.437 0.000 1.042 124 Q CA -1.322 54.714 55.803 0.388 0.000 0.773 124 Q CB 2.049 30.994 28.738 0.344 0.000 1.508 124 Q HN 0.800 nan 8.270 nan 0.000 0.459 125 A N 0.204 123.207 122.820 0.306 0.000 2.386 125 A HA 0.473 4.794 4.320 0.001 0.000 0.246 125 A C -1.238 176.353 177.584 0.011 0.000 1.089 125 A CA 0.607 52.666 52.037 0.036 0.000 0.790 125 A CB 0.245 19.244 19.000 -0.001 0.000 1.042 125 A HN 0.578 nan 8.150 nan 0.000 0.497 126 Y N -1.959 118.141 120.300 -0.333 0.000 2.732 126 Y HA 0.437 4.987 4.550 0.001 0.000 0.342 126 Y C -0.919 174.803 175.900 -0.297 0.000 1.203 126 Y CA -0.664 57.211 58.100 -0.375 0.000 1.092 126 Y CB 1.264 39.446 38.460 -0.464 0.000 1.345 126 Y HN 1.044 nan 8.280 nan 0.000 0.458 127 C N 3.645 122.612 119.300 -0.555 0.000 2.482 127 C HA 0.523 4.983 4.460 0.001 0.000 0.317 127 C C 0.422 175.254 174.990 -0.262 0.000 1.197 127 C CA -0.228 58.589 59.018 -0.334 0.000 1.432 127 C CB 0.874 28.394 27.740 -0.367 0.000 2.062 127 C HN 0.955 nan 8.230 nan 0.000 0.471 128 E N 1.600 121.784 120.200 -0.028 0.000 2.251 128 E HA -0.081 4.269 4.350 0.001 0.000 0.194 128 E C 1.526 178.142 176.600 0.025 0.000 0.964 128 E CA 0.432 56.867 56.400 0.059 0.000 0.868 128 E CB -0.246 29.501 29.700 0.079 0.000 0.828 128 E HN 0.920 nan 8.360 nan 0.000 0.481 129 H N 0.792 119.818 119.070 -0.074 0.000 2.521 129 H HA -0.049 4.507 4.556 0.001 0.000 0.286 129 H C 0.248 175.523 175.328 -0.088 0.000 1.034 129 H CA 0.974 56.982 56.048 -0.067 0.000 1.278 129 H CB 0.570 30.294 29.762 -0.064 0.000 1.386 129 H HN -0.027 nan 8.280 nan 0.000 0.567 130 D N -0.266 119.963 120.400 -0.286 0.000 2.469 130 D HA 0.070 4.710 4.640 0.001 0.000 0.213 130 D C 0.960 177.080 176.300 -0.299 0.000 1.135 130 D CA 0.895 54.682 54.000 -0.354 0.000 0.834 130 D CB 0.699 41.296 40.800 -0.338 0.000 1.009 130 D HN 0.397 nan 8.370 nan 0.000 0.507 131 K N 0.781 121.021 120.400 -0.268 0.000 3.078 131 K HA -0.222 4.099 4.320 0.001 0.000 0.261 131 K C 0.318 176.695 176.600 -0.371 0.000 0.947 131 K CA 1.699 57.864 56.287 -0.203 0.000 0.702 131 K CB -2.722 29.752 32.500 -0.043 0.000 1.318 131 K HN 0.635 nan 8.250 nan 0.000 0.473 132 M N -2.986 116.108 119.600 -0.843 0.000 2.470 132 M HA 0.846 5.326 4.480 0.001 0.000 0.285 132 M C -0.413 175.343 176.300 -0.906 0.000 1.213 132 M CA -1.179 53.744 55.300 -0.629 0.000 0.901 132 M CB 1.489 33.876 32.600 -0.356 0.000 1.718 132 M HN 0.016 nan 8.290 nan 0.000 0.469 133 F N 1.885 121.583 119.950 -0.419 0.000 2.535 133 F HA 0.366 4.894 4.527 0.001 0.000 0.332 133 F C 0.308 175.931 175.800 -0.296 0.000 1.208 133 F CA 0.032 57.946 58.000 -0.143 0.000 1.330 133 F CB 0.525 39.577 39.000 0.087 0.000 1.167 133 F HN 0.473 nan 8.300 nan 0.000 0.597 134 L N 3.024 124.247 121.223 -0.001 0.000 2.556 134 L HA 0.340 4.681 4.340 0.001 0.000 0.243 134 L C -2.478 174.485 176.870 0.155 0.000 1.331 134 L CA -1.760 53.016 54.840 -0.108 0.000 0.927 134 L CB 0.324 42.282 42.059 -0.168 0.000 1.219 134 L HN 0.312 nan 8.230 nan 0.000 0.490 135 P HA 0.033 nan 4.420 nan 0.000 0.269 135 P C 0.201 177.621 177.300 0.201 0.000 1.217 135 P CA -0.110 63.114 63.100 0.206 0.000 0.783 135 P CB 0.605 32.410 31.700 0.175 0.000 0.898 136 D N 0.811 121.248 120.400 0.062 0.000 1.631 136 D HA -0.325 4.315 4.640 0.001 0.000 0.630 136 D C 1.235 177.533 176.300 -0.003 0.000 0.622 136 D CA 1.676 55.690 54.000 0.024 0.000 1.708 136 D CB -0.819 39.985 40.800 0.006 0.000 0.357 136 D HN 0.403 nan 8.370 nan 0.000 0.200 137 R N -0.324 120.129 120.500 -0.079 0.000 2.447 137 R HA -0.053 4.287 4.340 0.001 0.000 0.215 137 R C 1.109 177.113 176.300 -0.492 0.000 1.130 137 R CA 0.529 56.514 56.100 -0.192 0.000 1.075 137 R CB -0.565 29.678 30.300 -0.096 0.000 0.824 137 R HN 0.334 nan 8.270 nan 0.000 0.484 138 F N -1.634 118.188 119.950 -0.215 0.000 2.749 138 F HA 0.109 4.636 4.527 0.001 0.000 0.300 138 F C 0.797 176.472 175.800 -0.208 0.000 1.103 138 F CA -0.370 57.451 58.000 -0.297 0.000 1.342 138 F CB 0.633 39.515 39.000 -0.197 0.000 1.098 138 F HN -0.165 nan 8.300 nan 0.000 0.586 139 V N 2.249 122.175 119.914 0.020 0.000 2.655 139 V HA 0.419 4.539 4.120 0.001 0.000 0.300 139 V C 0.003 176.083 176.094 -0.023 0.000 1.044 139 V CA 0.107 62.413 62.300 0.010 0.000 1.095 139 V CB 0.802 32.637 31.823 0.019 0.000 0.952 139 V HN 0.004 nan 8.190 nan 0.000 0.485 140 I N 5.409 125.972 120.570 -0.012 0.000 2.560 140 I HA 0.945 5.115 4.170 0.001 0.000 0.278 140 I C 0.172 176.290 176.117 0.001 0.000 1.089 140 I CA 0.341 61.636 61.300 -0.009 0.000 1.086 140 I CB 0.955 38.948 38.000 -0.012 0.000 1.202 140 I HN 1.085 nan 8.210 nan 0.000 0.471 141 G N 1.966 110.771 108.800 0.008 0.000 2.731 141 G HA2 0.974 4.934 3.960 0.001 0.000 0.309 141 G HA3 0.974 4.934 3.960 0.001 0.000 0.309 141 G C 0.058 174.966 174.900 0.013 0.000 1.273 141 G CA 0.406 45.512 45.100 0.011 0.000 0.798 141 G HN 1.579 nan 8.290 nan 0.000 0.509 142 T N -1.429 113.133 114.554 0.014 0.000 2.828 142 T HA 0.481 4.832 4.350 0.001 0.000 0.290 142 T C 0.811 175.521 174.700 0.016 0.000 1.019 142 T CA 0.384 62.491 62.100 0.012 0.000 1.031 142 T CB 0.388 69.263 68.868 0.012 0.000 1.001 142 T HN 1.394 nan 8.240 nan 0.000 0.531 143 C N 1.450 120.754 119.300 0.008 0.000 2.649 143 C HA 0.709 5.169 4.460 0.001 0.000 0.377 143 C C -1.497 173.516 174.990 0.039 0.000 1.321 143 C CA -0.033 58.993 59.018 0.012 0.000 2.368 143 C CB 0.499 28.224 27.740 -0.024 0.000 2.597 143 C HN 0.805 nan 8.230 nan 0.000 0.678 144 P HA 0.371 nan 4.420 nan 0.000 0.201 144 P C -0.416 176.996 177.300 0.188 0.000 1.882 144 P CA 0.163 63.322 63.100 0.099 0.000 1.129 144 P CB -0.676 31.074 31.700 0.082 0.000 1.794 145 Y N -1.270 119.042 120.300 0.019 0.000 2.769 145 Y HA -0.166 4.384 4.550 0.001 0.000 0.326 145 Y C 1.575 177.484 175.900 0.015 0.000 0.874 145 Y CA 0.969 59.080 58.100 0.018 0.000 0.966 145 Y CB -0.820 37.651 38.460 0.019 0.000 1.317 145 Y HN 0.378 nan 8.280 nan 0.000 0.522 146 C N 2.430 121.659 119.300 -0.118 0.000 2.964 146 C HA 0.774 5.234 4.460 0.001 0.000 0.358 146 C C 1.257 176.196 174.990 -0.084 0.000 1.289 146 C CA 1.094 59.977 59.018 -0.224 0.000 1.856 146 C CB 0.513 27.916 27.740 -0.561 0.000 2.488 146 C HN 1.559 nan 8.230 nan 0.000 0.604 147 G N 1.433 110.201 108.800 -0.053 0.000 2.683 147 G HA2 0.410 4.370 3.960 0.001 0.000 0.234 147 G HA3 0.410 4.370 3.960 0.001 0.000 0.234 147 G C -0.264 174.616 174.900 -0.032 0.000 1.135 147 G CA 0.230 45.316 45.100 -0.024 0.000 0.975 147 G HN 1.590 nan 8.290 nan 0.000 0.511 148 A N -0.661 122.138 122.820 -0.035 0.000 2.355 148 A HA 1.049 5.369 4.320 0.001 0.000 0.324 148 A C 0.257 177.834 177.584 -0.011 0.000 1.117 148 A CA 0.699 52.719 52.037 -0.028 0.000 0.785 148 A CB 1.119 20.094 19.000 -0.041 0.000 1.254 148 A HN 2.009 nan 8.150 nan 0.000 0.453 149 E N 0.050 120.247 120.200 -0.006 0.000 2.360 149 E HA 0.455 4.806 4.350 0.001 0.000 0.269 149 E C 0.351 176.957 176.600 0.010 0.000 1.022 149 E CA 0.705 57.107 56.400 0.003 0.000 0.887 149 E CB -0.642 29.060 29.700 0.004 0.000 0.990 149 E HN 2.469 nan 8.360 nan 0.000 0.426 150 D N -0.239 120.170 120.400 0.015 0.000 4.621 150 D HA 0.496 5.136 4.640 0.001 0.000 0.241 150 D C 0.024 176.341 176.300 0.028 0.000 1.065 150 D CA 1.273 55.288 54.000 0.024 0.000 1.247 150 D CB -2.062 38.758 40.800 0.035 0.000 0.793 150 D HN 1.797 nan 8.370 nan 0.000 0.391 151 Q N 1.111 120.926 119.800 0.025 0.000 2.275 151 Q HA 0.711 5.052 4.340 0.001 0.000 0.266 151 Q C -0.003 176.014 176.000 0.028 0.000 1.002 151 Q CA -0.213 55.607 55.803 0.029 0.000 0.761 151 Q CB 1.456 30.207 28.738 0.022 0.000 1.255 151 Q HN 1.448 nan 8.270 nan 0.000 0.446 152 K N 0.789 121.214 120.400 0.042 0.000 2.295 152 K HA 0.876 5.197 4.320 0.001 0.000 0.239 152 K C 1.011 177.634 176.600 0.039 0.000 0.991 152 K CA 0.157 56.461 56.287 0.028 0.000 0.845 152 K CB 1.565 34.097 32.500 0.053 0.000 1.197 152 K HN 1.555 nan 8.250 nan 0.000 0.441 153 G N 2.033 110.846 108.800 0.022 0.000 2.698 153 G HA2 -0.404 3.557 3.960 0.001 0.000 0.337 153 G HA3 -0.404 3.557 3.960 0.001 0.000 0.337 153 G C -0.463 174.458 174.900 0.036 0.000 1.286 153 G CA 1.252 46.368 45.100 0.028 0.000 1.000 153 G HN 0.989 nan 8.290 nan 0.000 0.547 154 D N -1.625 118.800 120.400 0.041 0.000 3.100 154 D HA 0.543 5.183 4.640 0.001 0.000 0.350 154 D C 0.479 176.812 176.300 0.055 0.000 1.310 154 D CA -0.173 53.856 54.000 0.049 0.000 0.741 154 D CB 0.832 41.661 40.800 0.049 0.000 1.248 154 D HN 0.464 nan 8.370 nan 0.000 0.527 155 Q N -0.646 119.187 119.800 0.055 0.000 2.519 155 Q HA 0.337 4.678 4.340 0.001 0.000 0.248 155 Q C 0.250 176.279 176.000 0.048 0.000 0.804 155 Q CA 0.160 55.996 55.803 0.056 0.000 0.979 155 Q CB 0.918 29.695 28.738 0.064 0.000 1.282 155 Q HN 0.420 nan 8.270 nan 0.000 0.558 156 C N -0.898 118.429 119.300 0.046 0.000 0.168 156 C HA 0.002 4.463 4.460 0.001 0.000 0.017 156 C C 0.748 175.755 174.990 0.029 0.000 0.171 156 C CA 1.062 60.099 59.018 0.031 0.000 0.499 156 C CB -1.110 26.639 27.740 0.015 0.000 3.212 156 C HN 0.724 nan 8.230 nan 0.000 1.118 157 E N -2.786 117.419 120.200 0.009 0.000 2.422 157 E HA 0.532 4.883 4.350 0.001 0.000 0.146 157 E C 0.151 176.739 176.600 -0.021 0.000 0.861 157 E CA 1.687 58.091 56.400 0.006 0.000 1.354 157 E CB -0.922 28.788 29.700 0.017 0.000 1.294 157 E HN 2.428 nan 8.360 nan 0.000 0.586 158 V N -0.550 119.339 119.914 -0.042 0.000 2.840 158 V HA 0.424 4.545 4.120 0.001 0.000 0.234 158 V C 2.232 178.262 176.094 -0.106 0.000 1.159 158 V CA 2.394 64.643 62.300 -0.084 0.000 1.194 158 V CB 0.729 32.479 31.823 -0.122 0.000 0.971 158 V HN 1.187 nan 8.190 nan 0.000 0.494 159 C N -2.224 117.008 119.300 -0.113 0.000 5.468 159 C HA 0.469 4.929 4.460 0.001 0.000 0.418 159 C C 1.416 176.420 174.990 0.022 0.000 1.014 159 C CA -0.045 58.929 59.018 -0.074 0.000 2.406 159 C CB -0.781 26.773 27.740 -0.310 0.000 2.716 159 C HN 1.306 nan 8.230 nan 0.000 0.410 160 G N 1.773 110.550 108.800 -0.038 0.000 2.225 160 G HA2 0.539 4.499 3.960 0.001 0.000 0.245 160 G HA3 0.539 4.499 3.960 0.001 0.000 0.245 160 G C -0.088 174.854 174.900 0.070 0.000 1.249 160 G CA 0.961 46.092 45.100 0.052 0.000 0.919 160 G HN 1.433 nan 8.290 nan 0.000 0.486 161 R N 1.809 122.372 120.500 0.105 0.000 2.533 161 R HA 0.923 5.264 4.340 0.001 0.000 0.288 161 R C -1.272 175.087 176.300 0.098 0.000 1.039 161 R CA -0.161 55.992 56.100 0.088 0.000 0.909 161 R CB 0.549 30.902 30.300 0.088 0.000 1.195 161 R HN 2.072 nan 8.270 nan 0.000 0.438 162 P HA 0.376 nan 4.420 nan 0.000 0.019 162 P C -0.329 177.017 177.300 0.076 0.000 0.812 162 P CA 1.419 64.567 63.100 0.080 0.000 1.035 162 P CB -1.654 30.102 31.700 0.093 0.000 1.904 163 L N 1.789 123.051 121.223 0.065 0.000 2.408 163 L HA 0.934 5.275 4.340 0.001 0.000 0.257 163 L C 1.092 177.991 176.870 0.049 0.000 1.053 163 L CA 0.377 55.254 54.840 0.062 0.000 0.922 163 L CB -0.030 42.065 42.059 0.061 0.000 1.261 163 L HN 1.303 nan 8.230 nan 0.000 0.458 164 T N 1.688 116.269 114.554 0.045 0.000 2.872 164 T HA 0.245 4.595 4.350 0.001 0.000 0.292 164 T C -0.270 174.454 174.700 0.041 0.000 1.036 164 T CA 0.112 62.234 62.100 0.036 0.000 1.136 164 T CB -0.478 68.410 68.868 0.032 0.000 1.052 164 T HN 0.613 nan 8.240 nan 0.000 0.512 165 P HA -0.103 nan 4.420 nan 0.000 0.221 165 P C 1.036 178.373 177.300 0.063 0.000 1.141 165 P CA 0.896 64.024 63.100 0.046 0.000 0.794 165 P CB 0.403 32.131 31.700 0.047 0.000 0.764 166 E N -1.531 118.709 120.200 0.068 0.000 2.340 166 E HA 0.059 4.409 4.350 0.001 0.000 0.198 166 E C 1.655 178.297 176.600 0.070 0.000 0.961 166 E CA 0.160 56.612 56.400 0.086 0.000 0.905 166 E CB -0.630 29.124 29.700 0.090 0.000 0.884 166 E HN 0.253 nan 8.360 nan 0.000 0.491 167 I N 1.338 121.941 120.570 0.055 0.000 3.334 167 I HA -0.047 4.123 4.170 0.001 0.000 0.282 167 I C 0.387 176.536 176.117 0.052 0.000 1.313 167 I CA 0.369 61.700 61.300 0.051 0.000 1.396 167 I CB -0.106 37.923 38.000 0.048 0.000 1.054 167 I HN -0.102 nan 8.210 nan 0.000 0.495 168 L N 1.504 122.758 121.223 0.052 0.000 2.380 168 L HA 0.220 4.560 4.340 0.001 0.000 0.273 168 L C 0.100 176.996 176.870 0.044 0.000 1.138 168 L CA -0.190 54.676 54.840 0.044 0.000 0.832 168 L CB 0.642 42.724 42.059 0.039 0.000 1.124 168 L HN -0.013 nan 8.230 nan 0.000 0.454 169 I N 3.477 124.068 120.570 0.036 0.000 2.519 169 I HA 0.056 4.227 4.170 0.001 0.000 0.287 169 I C 0.532 176.664 176.117 0.025 0.000 1.047 169 I CA -0.176 61.143 61.300 0.032 0.000 1.381 169 I CB 0.399 38.416 38.000 0.028 0.000 1.417 169 I HN 0.735 nan 8.210 nan 0.000 0.540 170 N N 3.563 122.277 118.700 0.025 0.000 2.681 170 N HA -0.117 4.623 4.740 0.001 0.000 0.259 170 N C -2.512 173.002 175.510 0.007 0.000 1.066 170 N CA -0.504 52.555 53.050 0.015 0.000 0.717 170 N CB -1.138 37.355 38.487 0.009 0.000 0.885 170 N HN 0.373 nan 8.380 nan 0.000 0.547 171 P HA 0.062 nan 4.420 nan 0.000 0.264 171 P C -0.567 176.710 177.300 -0.039 0.000 1.229 171 P CA 0.736 63.830 63.100 -0.011 0.000 0.780 171 P CB 0.563 32.259 31.700 -0.007 0.000 0.808 172 R N 2.460 122.939 120.500 -0.034 0.000 2.532 172 R HA 0.348 4.688 4.340 0.001 0.000 0.297 172 R C -0.560 175.716 176.300 -0.040 0.000 0.984 172 R CA -0.776 55.299 56.100 -0.042 0.000 0.884 172 R CB 1.337 31.622 30.300 -0.026 0.000 1.182 172 R HN 0.450 nan 8.270 nan 0.000 0.442 173 C N 2.728 121.991 119.300 -0.061 0.000 2.465 173 C HA 0.038 4.498 4.460 0.001 0.000 0.402 173 C C 1.976 176.954 174.990 -0.020 0.000 1.448 173 C CA 0.473 59.454 59.018 -0.062 0.000 1.589 173 C CB -0.528 27.148 27.740 -0.107 0.000 2.535 173 C HN 0.989 nan 8.230 nan 0.000 0.600 174 A N 5.359 128.184 122.820 0.009 0.000 1.930 174 A HA -0.052 4.269 4.320 0.001 0.000 0.217 174 A C 2.029 179.641 177.584 0.047 0.000 1.175 174 A CA 1.757 53.797 52.037 0.006 0.000 0.627 174 A CB -0.483 18.453 19.000 -0.106 0.000 0.815 174 A HN 0.926 nan 8.150 nan 0.000 0.443 175 I N -0.374 120.238 120.570 0.068 0.000 2.208 175 I HA -0.323 3.847 4.170 0.001 0.000 0.245 175 I C 2.203 178.357 176.117 0.062 0.000 1.097 175 I CA 1.768 63.113 61.300 0.075 0.000 1.363 175 I CB -0.199 37.810 38.000 0.014 0.000 1.051 175 I HN 0.697 nan 8.210 nan 0.000 0.413 176 C N -1.681 117.649 119.300 0.050 0.000 3.785 176 C HA 0.652 5.112 4.460 0.001 0.000 0.312 176 C C 1.650 176.659 174.990 0.031 0.000 1.566 176 C CA -0.135 58.930 59.018 0.078 0.000 1.837 176 C CB 0.056 27.922 27.740 0.210 0.000 2.826 176 C HN 0.689 nan 8.230 nan 0.000 0.667 177 G N 1.551 110.359 108.800 0.013 0.000 2.184 177 G HA2 -0.227 3.734 3.960 0.001 0.000 0.264 177 G HA3 -0.227 3.734 3.960 0.001 0.000 0.264 177 G C 0.183 175.069 174.900 -0.025 0.000 0.975 177 G CA 0.184 45.280 45.100 -0.006 0.000 0.642 177 G HN 0.682 nan 8.290 nan 0.000 0.536 178 R N 1.056 121.540 120.500 -0.026 0.000 2.458 178 R HA 0.218 4.559 4.340 0.001 0.000 0.303 178 R C -2.382 173.885 176.300 -0.055 0.000 1.013 178 R CA -1.218 54.856 56.100 -0.043 0.000 1.026 178 R CB 0.134 30.421 30.300 -0.023 0.000 0.948 178 R HN 0.166 nan 8.270 nan 0.000 0.417 179 P HA -0.072 nan 4.420 nan 0.000 0.261 179 P C 0.417 177.654 177.300 -0.105 0.000 1.183 179 P CA 0.182 63.243 63.100 -0.066 0.000 0.761 179 P CB 0.203 31.874 31.700 -0.048 0.000 0.785 180 I N 0.173 120.654 120.570 -0.149 0.000 3.185 180 I HA 0.001 4.171 4.170 0.001 0.000 0.300 180 I C -0.112 175.809 176.117 -0.326 0.000 1.245 180 I CA 0.742 61.892 61.300 -0.251 0.000 1.413 180 I CB 0.251 38.049 38.000 -0.337 0.000 1.324 180 I HN 0.177 nan 8.210 nan 0.000 0.588 181 S N 2.794 118.269 115.700 -0.376 0.000 2.709 181 S HA 0.733 5.204 4.470 0.001 0.000 0.302 181 S C -1.001 173.286 174.600 -0.523 0.000 1.127 181 S CA -0.412 57.597 58.200 -0.319 0.000 0.905 181 S CB 1.583 64.732 63.200 -0.085 0.000 1.151 181 S HN 0.494 nan 8.310 nan 0.000 0.510 182 F N 1.399 121.328 119.950 -0.034 0.000 2.500 182 F HA 0.574 5.101 4.527 0.001 0.000 0.349 182 F C 0.032 175.752 175.800 -0.133 0.000 1.127 182 F CA -0.596 57.370 58.000 -0.055 0.000 0.998 182 F CB 1.299 40.283 39.000 -0.027 0.000 1.237 182 F HN 0.187 nan 8.300 nan 0.000 0.439 183 R N 2.605 123.087 120.500 -0.031 0.000 2.480 183 R HA 0.324 4.665 4.340 0.001 0.000 0.306 183 R C -0.939 175.376 176.300 0.025 0.000 0.958 183 R CA -0.884 55.097 56.100 -0.198 0.000 0.861 183 R CB 0.932 30.782 30.300 -0.749 0.000 1.171 183 R HN 0.554 nan 8.270 nan 0.000 0.445 184 D N 0.813 121.251 120.400 0.062 0.000 2.372 184 D HA 0.205 4.845 4.640 0.001 0.000 0.243 184 D C -0.452 175.982 176.300 0.224 0.000 1.121 184 D CA -0.133 53.949 54.000 0.136 0.000 0.898 184 D CB 1.646 42.487 40.800 0.068 0.000 1.202 184 D HN 0.236 nan 8.370 nan 0.000 0.428 185 S N -0.448 115.404 115.700 0.254 0.000 2.588 185 S HA 0.624 5.094 4.470 0.001 0.000 0.275 185 S C -1.547 173.122 174.600 0.114 0.000 1.130 185 S CA -0.782 57.538 58.200 0.201 0.000 0.855 185 S CB 1.473 64.820 63.200 0.245 0.000 1.116 185 S HN 0.754 nan 8.310 nan 0.000 0.472 186 A N 2.614 125.392 122.820 -0.069 0.000 2.276 186 A HA 0.768 5.089 4.320 0.001 0.000 0.316 186 A C -1.129 176.250 177.584 -0.342 0.000 1.229 186 A CA -0.236 51.731 52.037 -0.115 0.000 0.851 186 A CB 0.117 19.030 19.000 -0.145 0.000 1.165 186 A HN 0.908 nan 8.150 nan 0.000 0.513 187 H N -0.124 118.935 119.070 -0.018 0.000 2.851 187 H HA 0.497 5.053 4.556 0.001 0.000 0.372 187 H C -1.535 173.824 175.328 0.051 0.000 1.158 187 H CA -0.229 55.802 56.048 -0.029 0.000 1.159 187 H CB 1.232 30.929 29.762 -0.108 0.000 1.757 187 H HN 0.653 nan 8.280 nan 0.000 0.546 188 Y N 1.174 121.624 120.300 0.251 0.000 2.301 188 Y HA 0.305 4.856 4.550 0.001 0.000 0.325 188 Y C -0.524 175.537 175.900 0.268 0.000 1.203 188 Y CA 0.095 58.409 58.100 0.356 0.000 1.255 188 Y CB 0.608 39.315 38.460 0.411 0.000 1.232 188 Y HN 0.501 nan 8.280 nan 0.000 0.501 189 Y N 1.739 122.226 120.300 0.311 0.000 2.602 189 Y HA 0.517 5.067 4.550 0.001 0.000 0.342 189 Y C -0.533 175.527 175.900 0.266 0.000 1.029 189 Y CA -1.715 56.533 58.100 0.247 0.000 1.080 189 Y CB 1.585 40.153 38.460 0.180 0.000 1.284 189 Y HN 0.410 nan 8.280 nan 0.000 0.485 190 I N 2.120 122.961 120.570 0.452 0.000 2.362 190 I HA 0.345 4.516 4.170 0.001 0.000 0.289 190 I C -0.586 175.811 176.117 0.466 0.000 0.994 190 I CA -0.813 60.755 61.300 0.447 0.000 1.158 190 I CB 0.751 39.040 38.000 0.482 0.000 1.315 190 I HN 0.554 nan 8.210 nan 0.000 0.451 191 K N 8.165 128.823 120.400 0.430 0.000 2.243 191 K HA 0.104 4.424 4.320 0.001 0.000 0.232 191 K C 1.052 177.917 176.600 0.441 0.000 1.237 191 K CA -0.316 56.185 56.287 0.356 0.000 1.161 191 K CB 0.184 32.834 32.500 0.250 0.000 1.505 191 K HN 0.695 nan 8.250 nan 0.000 0.271 192 M N 0.636 120.534 119.600 0.497 0.000 2.192 192 M HA -0.251 4.229 4.480 0.001 0.000 0.259 192 M C 1.936 178.508 176.300 0.454 0.000 1.071 192 M CA 1.727 57.367 55.300 0.566 0.000 1.082 192 M CB -0.600 32.325 32.600 0.541 0.000 1.373 192 M HN 0.424 nan 8.290 nan 0.000 0.408 193 Q N 0.996 120.974 119.800 0.296 0.000 2.234 193 Q HA -0.175 4.166 4.340 0.001 0.000 0.206 193 Q C 1.055 177.111 176.000 0.093 0.000 0.980 193 Q CA 1.639 57.552 55.803 0.184 0.000 0.869 193 Q CB -0.355 28.464 28.738 0.135 0.000 0.912 193 Q HN 0.440 nan 8.270 nan 0.000 0.436 194 D N -1.281 119.122 120.400 0.004 0.000 2.309 194 D HA -0.127 4.514 4.640 0.001 0.000 0.212 194 D C 0.386 176.354 176.300 -0.553 0.000 0.968 194 D CA 0.881 54.689 54.000 -0.321 0.000 0.882 194 D CB -0.021 40.487 40.800 -0.487 0.000 0.918 194 D HN 0.396 nan 8.370 nan 0.000 0.503 195 F N -0.724 119.284 119.950 0.096 0.000 2.728 195 F HA 0.450 4.977 4.527 0.001 0.000 0.314 195 F C 2.077 177.914 175.800 0.061 0.000 1.094 195 F CA -0.373 57.660 58.000 0.055 0.000 1.217 195 F CB -0.371 38.635 39.000 0.011 0.000 1.056 195 F HN -0.152 nan 8.300 nan 0.000 0.577 196 A N 0.680 123.630 122.820 0.216 0.000 1.881 196 A HA -0.307 4.013 4.320 0.001 0.000 0.219 196 A C 2.167 179.829 177.584 0.131 0.000 1.215 196 A CA 2.561 54.696 52.037 0.163 0.000 0.648 196 A CB -0.754 18.328 19.000 0.136 0.000 0.832 196 A HN 0.314 nan 8.150 nan 0.000 0.455 197 E N -0.638 119.623 120.200 0.101 0.000 2.017 197 E HA -0.190 4.160 4.350 0.001 0.000 0.193 197 E C 2.230 178.890 176.600 0.100 0.000 0.997 197 E CA 1.641 58.090 56.400 0.082 0.000 0.804 197 E CB -0.301 29.433 29.700 0.055 0.000 0.757 197 E HN 0.545 nan 8.360 nan 0.000 0.448 198 R N -0.206 120.360 120.500 0.110 0.000 2.139 198 R HA -0.148 4.193 4.340 0.001 0.000 0.243 198 R C 2.313 178.719 176.300 0.177 0.000 1.145 198 R CA 1.334 57.510 56.100 0.127 0.000 0.976 198 R CB -0.295 30.082 30.300 0.129 0.000 0.866 198 R HN 0.224 nan 8.270 nan 0.000 0.449 199 L N 0.539 121.880 121.223 0.197 0.000 1.973 199 L HA -0.184 4.156 4.340 0.001 0.000 0.208 199 L C 2.717 179.744 176.870 0.262 0.000 1.073 199 L CA 1.278 56.282 54.840 0.272 0.000 0.746 199 L CB -0.631 41.555 42.059 0.211 0.000 0.891 199 L HN 0.147 nan 8.230 nan 0.000 0.433 200 K N 0.380 120.868 120.400 0.147 0.000 2.089 200 K HA -0.221 4.099 4.320 0.001 0.000 0.210 200 K C 2.243 178.862 176.600 0.032 0.000 1.048 200 K CA 1.606 57.933 56.287 0.068 0.000 0.926 200 K CB -0.143 32.393 32.500 0.060 0.000 0.714 200 K HN 0.173 nan 8.250 nan 0.000 0.448 201 R N -0.691 119.854 120.500 0.075 0.000 2.081 201 R HA -0.170 4.170 4.340 0.001 0.000 0.235 201 R C 2.152 178.486 176.300 0.057 0.000 1.131 201 R CA 1.530 57.663 56.100 0.054 0.000 0.960 201 R CB -1.002 29.343 30.300 0.076 0.000 0.856 201 R HN 0.455 nan 8.270 nan 0.000 0.436 202 W N 1.641 122.894 121.300 -0.078 0.000 2.379 202 W HA -0.060 4.600 4.660 0.001 0.000 0.307 202 W C 1.813 178.194 176.519 -0.230 0.000 1.200 202 W CA 0.883 58.156 57.345 -0.120 0.000 1.297 202 W CB -0.541 28.866 29.460 -0.088 0.000 1.140 202 W HN -0.075 nan 8.180 nan 0.000 0.507 203 I N 1.218 121.427 120.570 -0.601 0.000 2.264 203 I HA -0.328 3.842 4.170 0.001 0.000 0.248 203 I C 2.512 178.201 176.117 -0.714 0.000 1.111 203 I CA 1.548 62.239 61.300 -1.015 0.000 1.382 203 I CB -0.590 37.086 38.000 -0.540 0.000 1.060 203 I HN 0.040 nan 8.210 nan 0.000 0.418 204 E N 1.497 121.466 120.200 -0.386 0.000 2.019 204 E HA -0.222 4.128 4.350 0.001 0.000 0.208 204 E C 1.145 177.551 176.600 -0.324 0.000 1.030 204 E CA 1.341 57.580 56.400 -0.269 0.000 0.856 204 E CB -0.491 29.121 29.700 -0.147 0.000 0.781 204 E HN 0.458 nan 8.360 nan 0.000 0.471 205 K N 1.718 121.948 120.400 -0.284 0.000 2.408 205 K HA 0.073 4.393 4.320 0.001 0.000 0.231 205 K C 0.095 176.465 176.600 -0.384 0.000 1.261 205 K CA 0.175 56.312 56.287 -0.251 0.000 1.193 205 K CB -0.108 32.312 32.500 -0.133 0.000 1.431 205 K HN 0.142 nan 8.250 nan 0.000 0.243 206 Q N 0.523 120.020 119.800 -0.505 0.000 2.327 206 Q HA 0.175 4.516 4.340 0.001 0.000 0.265 206 Q C -2.532 173.148 176.000 -0.534 0.000 0.993 206 Q CA -1.813 53.589 55.803 -0.669 0.000 0.885 206 Q CB 2.110 30.046 28.738 -1.337 0.000 1.379 206 Q HN 0.020 nan 8.270 nan 0.000 0.408 207 P HA -0.030 nan 4.420 nan 0.000 0.301 207 P C -1.189 176.179 177.300 0.114 0.000 1.560 207 P CA 0.471 63.521 63.100 -0.084 0.000 0.784 207 P CB -0.123 31.551 31.700 -0.044 0.000 1.715 208 W N 1.493 122.667 121.300 -0.210 0.000 2.359 208 W HA 0.299 4.959 4.660 0.001 0.000 0.344 208 W C 0.840 177.274 176.519 -0.142 0.000 1.170 208 W CA -1.900 55.331 57.345 -0.191 0.000 1.296 208 W CB 0.133 29.456 29.460 -0.227 0.000 1.197 208 W HN -0.077 nan 8.180 nan 0.000 0.618 209 K N 1.476 121.938 120.400 0.103 0.000 2.350 209 K HA 0.211 4.531 4.320 0.001 0.000 0.279 209 K C -1.945 174.673 176.600 0.030 0.000 1.027 209 K CA -0.979 55.327 56.287 0.031 0.000 0.969 209 K CB 1.020 33.515 32.500 -0.009 0.000 0.954 209 K HN -0.034 nan 8.250 nan 0.000 0.474 210 P HA -0.240 nan 4.420 nan 0.000 0.216 210 P C 0.295 177.599 177.300 0.007 0.000 1.154 210 P CA 1.655 64.757 63.100 0.003 0.000 0.865 210 P CB -0.055 31.642 31.700 -0.005 0.000 0.789 211 N N -1.322 117.377 118.700 -0.002 0.000 2.493 211 N HA -0.117 4.624 4.740 0.001 0.000 0.191 211 N C 1.020 176.523 175.510 -0.012 0.000 1.041 211 N CA 0.468 53.515 53.050 -0.006 0.000 0.904 211 N CB -0.060 38.416 38.487 -0.018 0.000 0.948 211 N HN 0.095 nan 8.380 nan 0.000 0.446 212 V N -0.170 119.740 119.914 -0.007 0.000 3.097 212 V HA -0.049 4.072 4.120 0.001 0.000 0.223 212 V C 1.917 178.033 176.094 0.037 0.000 1.199 212 V CA 0.234 62.526 62.300 -0.014 0.000 1.260 212 V CB -0.427 31.368 31.823 -0.046 0.000 1.155 212 V HN 0.003 nan 8.190 nan 0.000 0.509 213 K N 0.766 121.221 120.400 0.091 0.000 2.090 213 K HA -0.347 3.974 4.320 0.001 0.000 0.218 213 K C 1.828 178.437 176.600 0.015 0.000 1.055 213 K CA 2.881 59.206 56.287 0.065 0.000 0.941 213 K CB -0.273 32.227 32.500 0.001 0.000 0.722 213 K HN 0.489 nan 8.250 nan 0.000 0.458 214 N N -0.315 118.394 118.700 0.015 0.000 2.051 214 N HA -0.115 4.626 4.740 0.001 0.000 0.192 214 N C 1.750 177.294 175.510 0.057 0.000 1.049 214 N CA 1.979 55.044 53.050 0.024 0.000 0.845 214 N CB -0.134 38.366 38.487 0.022 0.000 1.031 214 N HN 0.167 nan 8.380 nan 0.000 0.425 215 M N 0.311 119.947 119.600 0.060 0.000 2.192 215 M HA -0.142 4.338 4.480 0.001 0.000 0.259 215 M C 1.877 178.249 176.300 0.120 0.000 1.071 215 M CA 1.040 56.402 55.300 0.104 0.000 1.082 215 M CB -1.195 31.440 32.600 0.058 0.000 1.373 215 M HN 0.030 nan 8.290 nan 0.000 0.408 216 V N 0.821 120.758 119.914 0.039 0.000 2.270 216 V HA -0.243 3.878 4.120 0.001 0.000 0.245 216 V C 2.627 178.801 176.094 0.133 0.000 1.043 216 V CA 1.468 63.787 62.300 0.031 0.000 1.014 216 V CB -0.734 31.108 31.823 0.031 0.000 0.645 216 V HN 0.397 nan 8.190 nan 0.000 0.447 217 L N 0.327 121.604 121.223 0.091 0.000 2.013 217 L HA -0.253 4.088 4.340 0.001 0.000 0.212 217 L C 2.764 179.715 176.870 0.135 0.000 1.073 217 L CA 2.062 56.954 54.840 0.087 0.000 0.753 217 L CB -0.961 41.122 42.059 0.040 0.000 0.890 217 L HN 0.469 nan 8.230 nan 0.000 0.432 218 S N -0.540 115.256 115.700 0.159 0.000 2.365 218 S HA -0.272 4.199 4.470 0.001 0.000 0.221 218 S C 1.724 176.462 174.600 0.229 0.000 1.037 218 S CA 1.660 59.963 58.200 0.172 0.000 1.060 218 S CB -0.635 62.678 63.200 0.189 0.000 0.974 218 S HN 0.438 nan 8.310 nan 0.000 0.427 219 W N 1.540 122.876 121.300 0.061 0.000 2.292 219 W HA -0.118 4.542 4.660 0.001 0.000 0.304 219 W C 2.127 178.694 176.519 0.080 0.000 1.228 219 W CA 1.453 58.847 57.345 0.080 0.000 1.241 219 W CB -0.512 29.003 29.460 0.091 0.000 1.142 219 W HN 0.397 nan 8.180 nan 0.000 0.520 220 I N -1.214 119.528 120.570 0.285 0.000 2.852 220 I HA -0.110 4.060 4.170 0.001 0.000 0.264 220 I C 1.745 177.943 176.117 0.134 0.000 1.179 220 I CA 0.689 62.103 61.300 0.190 0.000 1.480 220 I CB -0.543 37.546 38.000 0.148 0.000 1.111 220 I HN -0.250 nan 8.210 nan 0.000 0.441 221 E N 1.858 122.129 120.200 0.118 0.000 2.501 221 E HA -0.176 4.174 4.350 0.001 0.000 0.203 221 E C 0.472 177.111 176.600 0.065 0.000 1.072 221 E CA 0.641 57.090 56.400 0.081 0.000 0.885 221 E CB -0.073 29.669 29.700 0.070 0.000 0.813 221 E HN 0.451 nan 8.360 nan 0.000 0.556 222 E N -0.768 119.474 120.200 0.069 0.000 3.666 222 E HA 0.330 4.681 4.350 0.001 0.000 0.230 222 E C 0.247 176.889 176.600 0.070 0.000 1.235 222 E CA -0.205 56.225 56.400 0.051 0.000 1.096 222 E CB -0.371 29.340 29.700 0.018 0.000 1.287 222 E HN 0.069 nan 8.360 nan 0.000 0.406 223 G N 1.687 110.539 108.800 0.087 0.000 3.016 223 G HA2 -0.232 3.728 3.960 0.001 0.000 0.518 223 G HA3 -0.232 3.728 3.960 0.001 0.000 0.518 223 G C -0.507 174.486 174.900 0.155 0.000 1.586 223 G CA -0.138 45.028 45.100 0.110 0.000 1.051 223 G HN 0.464 nan 8.290 nan 0.000 0.572 224 L N 1.269 122.609 121.223 0.194 0.000 2.353 224 L HA 0.349 4.689 4.340 0.001 0.000 0.270 224 L C 0.834 177.868 176.870 0.274 0.000 1.003 224 L CA -0.811 54.197 54.840 0.280 0.000 0.862 224 L CB 1.374 43.626 42.059 0.321 0.000 1.221 224 L HN 0.886 nan 8.230 nan 0.000 0.430 225 E N 1.678 122.026 120.200 0.247 0.000 2.417 225 E HA 0.071 4.421 4.350 0.001 0.000 0.261 225 E C -0.678 176.084 176.600 0.270 0.000 1.000 225 E CA -0.669 55.857 56.400 0.210 0.000 0.919 225 E CB 0.455 30.250 29.700 0.157 0.000 0.955 225 E HN 0.484 nan 8.360 nan 0.000 0.455 226 E N 3.685 124.037 120.200 0.253 0.000 2.752 226 E HA -0.077 4.274 4.350 0.001 0.000 0.241 226 E C -0.441 176.405 176.600 0.409 0.000 1.016 226 E CA 0.383 56.981 56.400 0.329 0.000 0.952 226 E CB 0.163 30.014 29.700 0.252 0.000 0.921 226 E HN 0.351 nan 8.360 nan 0.000 0.515 227 R N 2.090 122.838 120.500 0.412 0.000 2.428 227 R HA 0.515 4.855 4.340 0.001 0.000 0.294 227 R C -0.138 176.265 176.300 0.172 0.000 1.000 227 R CA -0.858 55.403 56.100 0.269 0.000 0.960 227 R CB 1.520 31.924 30.300 0.172 0.000 1.076 227 R HN 0.660 nan 8.270 nan 0.000 0.475 228 A N 3.199 125.904 122.820 -0.191 0.000 2.425 228 A HA 0.247 4.568 4.320 0.001 0.000 0.249 228 A C 0.930 178.443 177.584 -0.120 0.000 1.084 228 A CA -0.247 51.400 52.037 -0.650 0.000 0.781 228 A CB -0.113 18.332 19.000 -0.926 0.000 1.019 228 A HN 0.926 nan 8.150 nan 0.000 0.490 229 I N -0.746 119.785 120.570 -0.065 0.000 3.817 229 I HA 0.343 4.514 4.170 0.001 0.000 0.325 229 I C -0.280 175.847 176.117 0.017 0.000 1.550 229 I CA -0.155 61.201 61.300 0.093 0.000 1.100 229 I CB 0.362 38.237 38.000 -0.208 0.000 1.216 229 I HN 0.314 nan 8.210 nan 0.000 0.481 230 T N 0.956 115.502 114.554 -0.013 0.000 2.901 230 T HA 0.718 5.068 4.350 0.001 0.000 0.293 230 T C -0.609 174.114 174.700 0.038 0.000 1.084 230 T CA -0.712 61.407 62.100 0.032 0.000 1.008 230 T CB 2.327 71.281 68.868 0.142 0.000 1.170 230 T HN 0.116 nan 8.240 nan 0.000 0.509 231 R N 0.762 121.290 120.500 0.046 0.000 2.680 231 R HA 0.322 4.663 4.340 0.001 0.000 0.269 231 R C -1.652 174.667 176.300 0.033 0.000 1.026 231 R CA -0.823 55.272 56.100 -0.009 0.000 0.889 231 R CB 1.455 31.669 30.300 -0.142 0.000 1.241 231 R HN 0.620 nan 8.270 nan 0.000 0.463 232 D N 2.552 122.966 120.400 0.023 0.000 2.896 232 D HA 0.256 4.897 4.640 0.001 0.000 0.240 232 D C -0.190 176.105 176.300 -0.008 0.000 1.193 232 D CA 0.192 54.124 54.000 -0.113 0.000 0.983 232 D CB 0.343 40.921 40.800 -0.371 0.000 1.074 232 D HN 0.130 nan 8.370 nan 0.000 0.496 233 L N 0.621 121.856 121.223 0.021 0.000 2.333 233 L HA 0.308 4.649 4.340 0.001 0.000 0.269 233 L C 1.374 178.300 176.870 0.093 0.000 1.010 233 L CA -0.698 54.203 54.840 0.102 0.000 0.818 233 L CB 2.254 44.395 42.059 0.138 0.000 1.306 233 L HN -0.038 nan 8.230 nan 0.000 0.430 234 N N 1.000 119.795 118.700 0.159 0.000 2.336 234 N HA 0.005 4.745 4.740 0.001 0.000 0.189 234 N C -0.825 174.845 175.510 0.266 0.000 1.113 234 N CA 0.140 53.287 53.050 0.161 0.000 0.858 234 N CB 0.622 39.197 38.487 0.147 0.000 0.970 234 N HN 0.485 nan 8.380 nan 0.000 0.471 235 W N 0.763 122.088 121.300 0.041 0.000 2.538 235 W HA 0.460 5.121 4.660 0.001 0.000 0.322 235 W C -0.438 176.059 176.519 -0.037 0.000 1.028 235 W CA -0.314 57.055 57.345 0.041 0.000 1.228 235 W CB 1.321 30.838 29.460 0.095 0.000 1.356 235 W HN 0.024 nan 8.180 nan 0.000 0.452 236 G N 3.674 112.034 108.800 -0.734 0.000 2.357 236 G HA2 0.054 4.014 3.960 0.001 0.000 0.289 236 G HA3 0.054 4.014 3.960 0.001 0.000 0.289 236 G C -1.793 172.588 174.900 -0.864 0.000 1.302 236 G CA -1.181 43.315 45.100 -1.007 0.000 0.936 236 G HN 0.491 nan 8.290 nan 0.000 0.513 237 I N 2.022 122.032 120.570 -0.932 0.000 2.322 237 I HA 0.260 4.430 4.170 0.001 0.000 0.292 237 I C -2.078 173.794 176.117 -0.408 0.000 1.060 237 I CA -1.621 59.203 61.300 -0.793 0.000 1.309 237 I CB 1.391 38.869 38.000 -0.871 0.000 1.415 237 I HN 0.079 nan 8.210 nan 0.000 0.492 238 P HA -0.064 nan 4.420 nan 0.000 0.264 238 P C -0.237 176.943 177.300 -0.199 0.000 1.183 238 P CA -0.150 62.850 63.100 -0.166 0.000 0.763 238 P CB 0.439 32.095 31.700 -0.073 0.000 0.807 239 V N 3.364 123.136 119.914 -0.237 0.000 2.521 239 V HA 0.131 4.251 4.120 0.001 0.000 0.286 239 V C -1.618 174.383 176.094 -0.153 0.000 1.034 239 V CA -1.023 61.072 62.300 -0.342 0.000 1.045 239 V CB 0.321 31.901 31.823 -0.405 0.000 0.974 239 V HN 0.471 nan 8.190 nan 0.000 0.480 240 P HA -0.126 nan 4.420 nan 0.000 0.216 240 P C 0.664 177.944 177.300 -0.034 0.000 1.157 240 P CA 1.047 64.142 63.100 -0.009 0.000 0.880 240 P CB -0.182 31.552 31.700 0.056 0.000 0.791 241 L N 0.649 121.846 121.223 -0.045 0.000 2.737 241 L HA -0.118 4.222 4.340 0.001 0.000 0.279 241 L C 0.087 176.935 176.870 -0.036 0.000 1.200 241 L CA 0.488 55.277 54.840 -0.084 0.000 0.952 241 L CB -0.595 41.408 42.059 -0.093 0.000 1.240 241 L HN -0.040 nan 8.230 nan 0.000 0.486 242 D N 4.463 124.840 120.400 -0.037 0.000 2.522 242 D HA 0.242 4.882 4.640 0.001 0.000 0.218 242 D C 0.060 176.360 176.300 -0.001 0.000 1.149 242 D CA 0.080 54.070 54.000 -0.016 0.000 0.981 242 D CB 0.355 41.145 40.800 -0.016 0.000 1.041 242 D HN 0.505 nan 8.370 nan 0.000 0.518 243 E N 0.118 120.326 120.200 0.014 0.000 2.423 243 E HA 0.277 4.628 4.350 0.001 0.000 0.269 243 E C 0.361 176.972 176.600 0.019 0.000 0.948 243 E CA -0.742 55.675 56.400 0.028 0.000 0.802 243 E CB 1.533 31.270 29.700 0.061 0.000 1.339 243 E HN -0.013 nan 8.360 nan 0.000 0.445 244 E N 0.554 120.765 120.200 0.018 0.000 2.400 244 E HA -0.100 4.251 4.350 0.001 0.000 0.195 244 E C 0.933 177.535 176.600 0.004 0.000 1.012 244 E CA 0.940 57.347 56.400 0.011 0.000 0.875 244 E CB 0.282 29.989 29.700 0.012 0.000 0.859 244 E HN 0.522 nan 8.360 nan 0.000 0.498 245 D N -0.087 120.316 120.400 0.005 0.000 2.249 245 D HA -0.117 4.523 4.640 0.001 0.000 0.205 245 D C 1.302 177.576 176.300 -0.044 0.000 0.962 245 D CA 0.452 54.442 54.000 -0.017 0.000 0.860 245 D CB -0.049 40.741 40.800 -0.017 0.000 0.955 245 D HN 0.207 nan 8.370 nan 0.000 0.505 246 M N 0.779 120.374 119.600 -0.010 0.000 2.494 246 M HA 0.132 4.612 4.480 0.001 0.000 0.232 246 M C 0.032 176.304 176.300 -0.047 0.000 1.137 246 M CA -0.069 55.219 55.300 -0.021 0.000 1.012 246 M CB -0.431 32.213 32.600 0.074 0.000 1.567 246 M HN -0.010 nan 8.290 nan 0.000 0.486 247 K N 0.284 120.662 120.400 -0.036 0.000 2.382 247 K HA 0.419 4.739 4.320 0.001 0.000 0.275 247 K C 0.980 177.553 176.600 -0.045 0.000 1.009 247 K CA 0.831 57.101 56.287 -0.029 0.000 0.970 247 K CB 0.013 32.507 32.500 -0.009 0.000 0.934 247 K HN 0.274 nan 8.250 nan 0.000 0.479 248 G N 1.726 110.504 108.800 -0.036 0.000 2.249 248 G HA2 -0.299 3.661 3.960 0.001 0.000 0.273 248 G HA3 -0.299 3.661 3.960 0.001 0.000 0.273 248 G C -0.692 174.164 174.900 -0.074 0.000 1.036 248 G CA 0.638 45.717 45.100 -0.034 0.000 0.824 248 G HN 0.641 nan 8.290 nan 0.000 0.504 249 K N -1.174 119.167 120.400 -0.099 0.000 2.340 249 K HA 0.817 5.138 4.320 0.001 0.000 0.244 249 K C -0.630 175.886 176.600 -0.139 0.000 0.973 249 K CA -0.903 55.303 56.287 -0.134 0.000 0.828 249 K CB 3.164 35.556 32.500 -0.180 0.000 1.226 249 K HN 0.336 nan 8.250 nan 0.000 0.437 250 V N 1.869 121.697 119.914 -0.143 0.000 3.130 250 V HA 0.444 4.564 4.120 0.001 0.000 0.310 250 V C -1.367 174.619 176.094 -0.181 0.000 1.158 250 V CA -1.119 61.070 62.300 -0.186 0.000 1.029 250 V CB 2.016 33.730 31.823 -0.183 0.000 1.057 250 V HN 0.603 nan 8.190 nan 0.000 0.436 251 L N 4.051 125.143 121.223 -0.219 0.000 2.360 251 L HA 0.306 4.647 4.340 0.001 0.000 0.276 251 L C -0.032 176.882 176.870 0.072 0.000 1.121 251 L CA -0.153 54.606 54.840 -0.135 0.000 0.845 251 L CB 0.443 42.433 42.059 -0.114 0.000 1.143 251 L HN 0.718 nan 8.230 nan 0.000 0.452 252 Y N 2.823 123.127 120.300 0.007 0.000 2.865 252 Y HA -0.154 4.396 4.550 0.001 0.000 0.338 252 Y C 1.414 177.423 175.900 0.180 0.000 1.269 252 Y CA -0.295 57.869 58.100 0.106 0.000 1.585 252 Y CB 1.096 39.659 38.460 0.172 0.000 1.224 252 Y HN 0.508 nan 8.280 nan 0.000 0.554 253 V N 8.506 128.678 119.914 0.430 0.000 2.453 253 V HA -0.318 3.802 4.120 0.001 0.000 0.252 253 V C 1.590 177.693 176.094 0.014 0.000 1.068 253 V CA 2.441 64.856 62.300 0.192 0.000 1.070 253 V CB -0.696 31.275 31.823 0.247 0.000 0.664 253 V HN 0.988 nan 8.190 nan 0.000 0.461 254 W N -0.296 120.701 121.300 -0.505 0.000 2.364 254 W HA -0.242 4.419 4.660 0.001 0.000 0.281 254 W C 1.990 178.483 176.519 -0.043 0.000 1.219 254 W CA 2.056 59.030 57.345 -0.619 0.000 1.220 254 W CB -0.351 28.228 29.460 -1.469 0.000 1.127 254 W HN 0.448 nan 8.180 nan 0.000 0.556 255 F N 1.463 121.354 119.950 -0.099 0.000 2.317 255 F HA 0.034 4.561 4.527 0.001 0.000 0.290 255 F C 2.238 177.822 175.800 -0.359 0.000 1.075 255 F CA 1.828 59.605 58.000 -0.372 0.000 1.380 255 F CB -0.659 38.191 39.000 -0.250 0.000 1.093 255 F HN 0.026 nan 8.300 nan 0.000 0.524 256 E N 0.805 120.822 120.200 -0.306 0.000 2.112 256 E HA 0.037 4.387 4.350 0.001 0.000 0.190 256 E C 2.228 178.662 176.600 -0.276 0.000 0.979 256 E CA 0.875 57.047 56.400 -0.380 0.000 0.814 256 E CB -0.911 28.693 29.700 -0.159 0.000 0.762 256 E HN 0.276 nan 8.360 nan 0.000 0.460 257 A N 2.495 125.171 122.820 -0.241 0.000 1.882 257 A HA -0.227 4.093 4.320 0.001 0.000 0.220 257 A C 0.066 177.264 177.584 -0.644 0.000 1.253 257 A CA 2.408 54.223 52.037 -0.370 0.000 0.664 257 A CB -1.980 16.811 19.000 -0.348 0.000 0.838 257 A HN 0.335 nan 8.150 nan 0.000 0.460 258 P HA -0.124 nan 4.420 nan 0.000 0.218 258 P C 1.245 177.794 177.300 -1.251 0.000 1.148 258 P CA 1.087 63.366 63.100 -1.368 0.000 0.822 258 P CB -0.215 30.570 31.700 -1.526 0.000 0.784 259 I N -0.770 119.305 120.570 -0.826 0.000 2.530 259 I HA -0.165 4.005 4.170 0.001 0.000 0.257 259 I C 2.417 178.259 176.117 -0.459 0.000 1.179 259 I CA 1.392 62.278 61.300 -0.690 0.000 1.440 259 I CB -1.078 36.443 38.000 -0.799 0.000 1.087 259 I HN 0.020 nan 8.210 nan 0.000 0.440 260 G N 0.143 108.652 108.800 -0.484 0.000 2.450 260 G HA2 -0.267 3.693 3.960 0.001 0.000 0.220 260 G HA3 -0.267 3.693 3.960 0.001 0.000 0.220 260 G C 1.514 176.198 174.900 -0.361 0.000 1.130 260 G CA 0.562 45.358 45.100 -0.506 0.000 0.760 260 G HN 0.407 nan 8.290 nan 0.000 0.557 261 Y N 0.147 120.210 120.300 -0.394 0.000 2.256 261 Y HA -0.104 4.446 4.550 0.001 0.000 0.288 261 Y C 2.619 178.341 175.900 -0.296 0.000 1.155 261 Y CA 0.540 58.506 58.100 -0.223 0.000 1.203 261 Y CB -0.059 38.260 38.460 -0.235 0.000 0.980 261 Y HN 0.197 nan 8.280 nan 0.000 0.530 262 I N -1.655 118.599 120.570 -0.527 0.000 2.556 262 I HA -0.194 3.976 4.170 0.001 0.000 0.251 262 I C 2.278 178.269 176.117 -0.210 0.000 1.105 262 I CA 0.454 61.335 61.300 -0.699 0.000 1.436 262 I CB -0.373 37.088 38.000 -0.899 0.000 1.139 262 I HN -0.023 nan 8.210 nan 0.000 0.438 263 S N 1.553 117.146 115.700 -0.180 0.000 2.380 263 S HA -0.238 4.232 4.470 0.001 0.000 0.229 263 S C 2.026 176.641 174.600 0.024 0.000 1.050 263 S CA 1.825 59.989 58.200 -0.061 0.000 1.100 263 S CB -0.541 62.691 63.200 0.054 0.000 0.984 263 S HN 0.310 nan 8.310 nan 0.000 0.434 264 I N 1.283 121.880 120.570 0.045 0.000 2.163 264 I HA -0.211 3.960 4.170 0.001 0.000 0.243 264 I C 2.613 178.955 176.117 0.376 0.000 1.085 264 I CA 1.338 62.743 61.300 0.175 0.000 1.347 264 I CB -1.001 36.984 38.000 -0.026 0.000 1.044 264 I HN 0.282 nan 8.210 nan 0.000 0.408 265 T N 1.280 116.082 114.554 0.413 0.000 2.665 265 T HA -0.183 4.168 4.350 0.001 0.000 0.268 265 T C 1.924 176.986 174.700 0.603 0.000 1.035 265 T CA 1.590 64.063 62.100 0.623 0.000 1.151 265 T CB -0.343 69.101 68.868 0.960 0.000 0.862 265 T HN 0.250 nan 8.240 nan 0.000 0.438 266 I N 0.785 121.544 120.570 0.315 0.000 2.163 266 I HA -0.200 3.970 4.170 0.001 0.000 0.243 266 I C 2.753 178.951 176.117 0.136 0.000 1.085 266 I CA 1.552 62.872 61.300 0.034 0.000 1.347 266 I CB -0.384 37.357 38.000 -0.431 0.000 1.044 266 I HN 0.248 nan 8.210 nan 0.000 0.408 267 E N 0.607 120.885 120.200 0.130 0.000 2.118 267 E HA -0.310 4.040 4.350 0.001 0.000 0.195 267 E C 2.122 178.681 176.600 -0.069 0.000 0.992 267 E CA 1.692 58.140 56.400 0.081 0.000 0.804 267 E CB -0.358 29.467 29.700 0.208 0.000 0.741 267 E HN 0.541 nan 8.360 nan 0.000 0.458 268 H N -1.220 117.773 119.070 -0.130 0.000 2.270 268 H HA -0.152 4.404 4.556 0.001 0.000 0.299 268 H C 1.657 176.796 175.328 -0.314 0.000 1.077 268 H CA 1.810 57.602 56.048 -0.428 0.000 1.294 268 H CB -0.282 29.351 29.762 -0.215 0.000 1.371 268 H HN 0.310 nan 8.280 nan 0.000 0.491 269 F N 1.243 121.085 119.950 -0.181 0.000 2.333 269 F HA -0.098 4.429 4.527 0.001 0.000 0.300 269 F C 2.738 178.499 175.800 -0.065 0.000 1.083 269 F CA 1.105 59.013 58.000 -0.153 0.000 1.395 269 F CB -0.112 38.961 39.000 0.121 0.000 1.056 269 F HN 0.167 nan 8.300 nan 0.000 0.529 270 K N 1.425 121.887 120.400 0.103 0.000 1.967 270 K HA -0.194 4.127 4.320 0.001 0.000 0.212 270 K C 2.349 178.939 176.600 -0.015 0.000 1.044 270 K CA 1.715 58.042 56.287 0.066 0.000 0.942 270 K CB -0.206 32.320 32.500 0.043 0.000 0.726 270 K HN 0.222 nan 8.250 nan 0.000 0.440 271 R N 0.143 120.583 120.500 -0.100 0.000 2.193 271 R HA -0.104 4.237 4.340 0.001 0.000 0.229 271 R C 1.982 178.214 176.300 -0.113 0.000 1.110 271 R CA 1.280 57.311 56.100 -0.115 0.000 0.988 271 R CB -0.547 29.639 30.300 -0.188 0.000 0.871 271 R HN 0.179 nan 8.270 nan 0.000 0.458 272 I N 0.657 121.122 120.570 -0.175 0.000 3.111 272 I HA 0.076 4.247 4.170 0.001 0.000 0.272 272 I C 1.435 177.521 176.117 -0.051 0.000 1.268 272 I CA 1.427 62.630 61.300 -0.163 0.000 1.467 272 I CB 0.192 37.962 38.000 -0.384 0.000 1.087 272 I HN 0.615 nan 8.210 nan 0.000 0.467 273 G N 0.097 108.891 108.800 -0.010 0.000 2.213 273 G HA2 -0.273 3.687 3.960 0.001 0.000 0.226 273 G HA3 -0.273 3.687 3.960 0.001 0.000 0.226 273 G C 0.697 175.641 174.900 0.072 0.000 0.992 273 G CA 0.061 45.180 45.100 0.032 0.000 0.632 273 G HN 0.403 nan 8.290 nan 0.000 0.511 274 K N 1.139 121.608 120.400 0.115 0.000 2.655 274 K HA 0.399 4.720 4.320 0.001 0.000 0.213 274 K C -1.720 175.021 176.600 0.234 0.000 1.126 274 K CA -1.639 54.748 56.287 0.168 0.000 1.076 274 K CB 1.683 34.311 32.500 0.212 0.000 1.644 274 K HN 0.038 nan 8.250 nan 0.000 0.523 275 P HA -0.267 nan 4.420 nan 0.000 0.222 275 P C -0.015 177.496 177.300 0.352 0.000 1.154 275 P CA 1.585 64.837 63.100 0.253 0.000 0.874 275 P CB 0.091 31.899 31.700 0.180 0.000 0.787 276 N N -1.987 116.833 118.700 0.201 0.000 2.236 276 N HA 0.003 4.744 4.740 0.001 0.000 0.196 276 N C 1.071 176.440 175.510 -0.235 0.000 1.114 276 N CA -0.257 52.830 53.050 0.062 0.000 0.859 276 N CB 0.088 38.575 38.487 -0.001 0.000 0.982 276 N HN 0.060 nan 8.380 nan 0.000 0.493 277 E N 1.113 121.183 120.200 -0.217 0.000 2.265 277 E HA -0.170 4.181 4.350 0.001 0.000 0.196 277 E C 1.723 177.873 176.600 -0.749 0.000 0.996 277 E CA 0.589 56.702 56.400 -0.479 0.000 0.832 277 E CB -0.238 29.226 29.700 -0.393 0.000 0.756 277 E HN 0.634 nan 8.360 nan 0.000 0.491 278 W N 1.916 122.745 121.300 -0.785 0.000 2.350 278 W HA -0.176 4.485 4.660 0.001 0.000 0.289 278 W C 1.211 177.780 176.519 0.083 0.000 1.215 278 W CA 0.803 57.971 57.345 -0.295 0.000 1.236 278 W CB -0.786 28.771 29.460 0.162 0.000 1.130 278 W HN 0.002 nan 8.180 nan 0.000 0.541 279 K N 1.624 121.255 120.400 -1.282 0.000 2.113 279 K HA -0.243 4.077 4.320 0.001 0.000 0.208 279 K C 2.098 178.421 176.600 -0.461 0.000 1.047 279 K CA 2.817 58.382 56.287 -1.202 0.000 0.928 279 K CB -0.431 31.369 32.500 -1.166 0.000 0.716 279 K HN 0.309 nan 8.250 nan 0.000 0.446 280 K N -0.337 119.831 120.400 -0.387 0.000 2.365 280 K HA -0.112 4.208 4.320 0.001 0.000 0.199 280 K C 1.310 177.685 176.600 -0.375 0.000 1.045 280 K CA 1.226 57.291 56.287 -0.370 0.000 0.962 280 K CB -0.069 32.156 32.500 -0.460 0.000 0.759 280 K HN 0.141 nan 8.250 nan 0.000 0.469 281 Y N -0.978 119.261 120.300 -0.103 0.000 2.347 281 Y HA 0.076 4.626 4.550 0.001 0.000 0.294 281 Y C 1.213 177.033 175.900 -0.132 0.000 1.117 281 Y CA 0.557 58.580 58.100 -0.128 0.000 1.184 281 Y CB 0.081 38.467 38.460 -0.123 0.000 1.047 281 Y HN 0.057 nan 8.280 nan 0.000 0.546 282 W N -1.427 120.114 121.300 0.402 0.000 3.013 282 W HA 0.267 4.927 4.660 0.001 0.000 0.280 282 W C -0.430 176.329 176.519 0.399 0.000 1.249 282 W CA -0.198 57.446 57.345 0.498 0.000 1.577 282 W CB 0.465 30.383 29.460 0.764 0.000 1.057 282 W HN -0.239 nan 8.180 nan 0.000 0.613 283 L N 0.801 122.193 121.223 0.282 0.000 2.325 283 L HA 0.208 4.549 4.340 0.001 0.000 0.279 283 L C 0.042 176.897 176.870 -0.025 0.000 1.054 283 L CA -0.549 54.284 54.840 -0.012 0.000 0.804 283 L CB 1.090 42.989 42.059 -0.267 0.000 1.200 283 L HN -0.159 nan 8.230 nan 0.000 0.436 284 N N 2.196 120.876 118.700 -0.033 0.000 3.245 284 N HA 0.264 5.004 4.740 0.001 0.000 0.296 284 N C 0.811 176.278 175.510 -0.072 0.000 1.254 284 N CA 0.013 53.041 53.050 -0.036 0.000 1.190 284 N CB 0.061 38.544 38.487 -0.007 0.000 1.460 284 N HN 0.534 nan 8.380 nan 0.000 0.538 285 I N -0.291 120.217 120.570 -0.103 0.000 4.097 285 I HA -0.094 4.076 4.170 0.001 0.000 0.198 285 I C 0.564 176.626 176.117 -0.091 0.000 1.006 285 I CA 0.323 61.559 61.300 -0.107 0.000 1.446 285 I CB -0.012 37.905 38.000 -0.138 0.000 1.316 285 I HN 0.362 nan 8.210 nan 0.000 0.425 286 D N 2.265 122.605 120.400 -0.101 0.000 2.619 286 D HA 0.128 4.768 4.640 0.001 0.000 0.224 286 D C 0.291 176.537 176.300 -0.091 0.000 1.133 286 D CA -0.132 53.818 54.000 -0.084 0.000 1.017 286 D CB -0.510 40.243 40.800 -0.078 0.000 1.077 286 D HN 0.422 nan 8.370 nan 0.000 0.503 287 G N 2.132 110.885 108.800 -0.078 0.000 2.164 287 G HA2 -0.008 3.952 3.960 0.001 0.000 0.259 287 G HA3 -0.008 3.952 3.960 0.001 0.000 0.259 287 G C 0.519 175.372 174.900 -0.078 0.000 0.894 287 G CA 0.117 45.175 45.100 -0.071 0.000 0.961 287 G HN 0.664 nan 8.290 nan 0.000 0.369 288 Q N 0.168 119.903 119.800 -0.109 0.000 1.810 288 Q HA 0.029 4.370 4.340 0.001 0.000 0.178 288 Q C -0.234 175.639 176.000 -0.212 0.000 0.788 288 Q CA -0.510 55.209 55.803 -0.141 0.000 0.857 288 Q CB -0.705 27.951 28.738 -0.136 0.000 1.275 288 Q HN 0.350 nan 8.270 nan 0.000 0.368 289 T N 2.318 116.759 114.554 -0.189 0.000 2.743 289 T HA 0.365 4.716 4.350 0.001 0.000 0.293 289 T C -0.262 174.303 174.700 -0.225 0.000 0.945 289 T CA -0.515 61.448 62.100 -0.228 0.000 1.030 289 T CB 0.692 69.454 68.868 -0.178 0.000 0.912 289 T HN 0.124 nan 8.240 nan 0.000 0.483 290 R N 3.139 123.405 120.500 -0.390 0.000 2.210 290 R HA 0.299 4.639 4.340 0.001 0.000 0.338 290 R C -0.762 175.486 176.300 -0.086 0.000 1.062 290 R CA -0.398 55.445 56.100 -0.428 0.000 0.902 290 R CB 0.691 30.424 30.300 -0.946 0.000 1.050 290 R HN 0.353 nan 8.270 nan 0.000 0.461 291 V N 6.296 126.251 119.914 0.069 0.000 2.353 291 V HA 0.201 4.321 4.120 0.001 0.000 0.264 291 V C 0.283 176.385 176.094 0.014 0.000 1.049 291 V CA -0.491 61.806 62.300 -0.005 0.000 0.896 291 V CB 0.720 32.519 31.823 -0.041 0.000 1.025 291 V HN 0.468 nan 8.190 nan 0.000 0.475 292 I N 5.018 125.609 120.570 0.035 0.000 2.392 292 I HA 0.407 4.578 4.170 0.001 0.000 0.295 292 I C 0.102 176.143 176.117 -0.128 0.000 0.985 292 I CA -0.198 61.100 61.300 -0.003 0.000 1.221 292 I CB 1.013 39.108 38.000 0.157 0.000 1.366 292 I HN 0.451 nan 8.210 nan 0.000 0.467 293 H N 6.433 125.415 119.070 -0.146 0.000 2.697 293 H HA 0.329 4.886 4.556 0.001 0.000 0.270 293 H C -0.948 174.154 175.328 -0.376 0.000 1.188 293 H CA -0.807 55.090 56.048 -0.251 0.000 1.322 293 H CB 0.329 29.874 29.762 -0.362 0.000 1.405 293 H HN 0.293 nan 8.280 nan 0.000 0.502 294 F N 4.616 124.444 119.950 -0.202 0.000 2.502 294 F HA 0.167 4.695 4.527 0.001 0.000 0.371 294 F C 1.184 176.809 175.800 -0.291 0.000 1.083 294 F CA -0.104 57.725 58.000 -0.286 0.000 1.174 294 F CB 0.158 39.014 39.000 -0.241 0.000 1.096 294 F HN 0.404 nan 8.300 nan 0.000 0.545 295 I N -0.287 120.135 120.570 -0.246 0.000 3.467 295 I HA 0.917 5.087 4.170 0.001 0.000 0.314 295 I C -0.062 175.922 176.117 -0.223 0.000 1.177 295 I CA -1.448 59.710 61.300 -0.236 0.000 0.943 295 I CB 1.624 39.439 38.000 -0.309 0.000 1.338 295 I HN 0.457 nan 8.210 nan 0.000 0.482 296 G N 0.534 109.229 108.800 -0.174 0.000 2.410 296 G HA2 0.353 4.313 3.960 0.001 0.000 0.330 296 G HA3 0.353 4.313 3.960 0.001 0.000 0.330 296 G C 0.446 175.229 174.900 -0.196 0.000 1.142 296 G CA -0.488 44.498 45.100 -0.189 0.000 0.902 296 G HN 0.948 nan 8.290 nan 0.000 0.491 297 K N 0.526 120.766 120.400 -0.265 0.000 2.107 297 K HA -0.229 4.092 4.320 0.001 0.000 0.211 297 K C 1.062 177.576 176.600 -0.144 0.000 1.049 297 K CA 1.957 58.103 56.287 -0.235 0.000 0.927 297 K CB -0.202 32.114 32.500 -0.306 0.000 0.714 297 K HN 0.308 nan 8.250 nan 0.000 0.452 298 D N 0.742 121.076 120.400 -0.110 0.000 2.265 298 D HA -0.131 4.510 4.640 0.001 0.000 0.208 298 D C 1.460 177.778 176.300 0.031 0.000 0.977 298 D CA 0.808 54.813 54.000 0.008 0.000 0.871 298 D CB -0.265 40.581 40.800 0.077 0.000 0.925 298 D HN 0.324 nan 8.370 nan 0.000 0.485 299 N N 0.130 118.846 118.700 0.026 0.000 2.412 299 N HA 0.062 4.803 4.740 0.001 0.000 0.184 299 N C 1.818 177.447 175.510 0.198 0.000 1.101 299 N CA -0.131 53.013 53.050 0.157 0.000 0.881 299 N CB 0.455 39.080 38.487 0.229 0.000 0.969 299 N HN 0.258 nan 8.380 nan 0.000 0.459 300 I N 1.880 122.457 120.570 0.011 0.000 2.091 300 I HA -0.252 3.918 4.170 0.001 0.000 0.239 300 I C -0.670 175.437 176.117 -0.018 0.000 1.061 300 I CA 1.487 62.751 61.300 -0.060 0.000 1.317 300 I CB -1.653 36.247 38.000 -0.167 0.000 1.031 300 I HN 0.045 nan 8.210 nan 0.000 0.401 301 P HA -0.258 nan 4.420 nan 0.000 0.213 301 P C 1.843 179.219 177.300 0.125 0.000 1.176 301 P CA 1.747 64.765 63.100 -0.137 0.000 0.919 301 P CB -0.186 31.367 31.700 -0.246 0.000 0.791 302 F N -0.771 119.289 119.950 0.182 0.000 2.091 302 F HA -0.292 4.236 4.527 0.001 0.000 0.299 302 F C 2.427 178.235 175.800 0.013 0.000 1.103 302 F CA 1.762 59.901 58.000 0.233 0.000 1.228 302 F CB -0.543 38.475 39.000 0.030 0.000 0.984 302 F HN 0.061 nan 8.300 nan 0.000 0.477 303 H N -1.006 118.134 119.070 0.117 0.000 2.495 303 H HA 0.120 4.677 4.556 0.001 0.000 0.287 303 H C 1.939 177.367 175.328 0.166 0.000 1.033 303 H CA 1.063 57.175 56.048 0.108 0.000 1.307 303 H CB -0.104 29.700 29.762 0.070 0.000 1.401 303 H HN 0.387 nan 8.280 nan 0.000 0.555 304 A N -0.497 122.439 122.820 0.192 0.000 2.348 304 A HA 0.253 4.574 4.320 0.001 0.000 0.224 304 A C 1.785 179.495 177.584 0.210 0.000 1.227 304 A CA -0.033 52.193 52.037 0.315 0.000 0.885 304 A CB 0.400 19.542 19.000 0.237 0.000 0.933 304 A HN 0.189 nan 8.150 nan 0.000 0.506 305 I N -3.040 117.462 120.570 -0.114 0.000 3.626 305 I HA 0.155 4.325 4.170 0.001 0.000 0.256 305 I C 1.537 177.287 176.117 -0.612 0.000 1.105 305 I CA 0.183 61.250 61.300 -0.389 0.000 1.656 305 I CB -0.248 37.317 38.000 -0.724 0.000 1.672 305 I HN 0.182 nan 8.210 nan 0.000 0.421 306 F N 1.073 120.797 119.950 -0.377 0.000 2.102 306 F HA -0.235 4.292 4.527 0.001 0.000 0.298 306 F C 2.414 177.245 175.800 -1.615 0.000 1.105 306 F CA 1.570 59.049 58.000 -0.868 0.000 1.239 306 F CB -1.016 37.510 39.000 -0.790 0.000 0.991 306 F HN 0.324 nan 8.300 nan 0.000 0.474 307 W N 3.153 123.552 121.300 -1.501 0.000 2.338 307 W HA -0.165 4.495 4.660 0.001 0.000 0.304 307 W C -1.177 174.948 176.519 -0.658 0.000 1.212 307 W CA 1.214 57.828 57.345 -1.218 0.000 1.264 307 W CB -1.520 27.372 29.460 -0.947 0.000 1.142 307 W HN 0.042 nan 8.180 nan 0.000 0.512 308 P HA -0.154 nan 4.420 nan 0.000 0.216 308 P C 1.799 178.709 177.300 -0.651 0.000 1.153 308 P CA 3.252 65.903 63.100 -0.748 0.000 0.848 308 P CB -0.503 30.853 31.700 -0.572 0.000 0.787 309 A N -1.018 121.432 122.820 -0.616 0.000 1.902 309 A HA -0.202 4.118 4.320 0.001 0.000 0.217 309 A C 1.899 179.137 177.584 -0.576 0.000 1.181 309 A CA 1.475 53.063 52.037 -0.747 0.000 0.623 309 A CB -1.818 16.764 19.000 -0.697 0.000 0.818 309 A HN 0.032 nan 8.150 nan 0.000 0.443 310 F N 0.232 119.976 119.950 -0.343 0.000 2.120 310 F HA -0.166 4.362 4.527 0.001 0.000 0.300 310 F C 2.136 177.935 175.800 -0.002 0.000 1.095 310 F CA 0.712 58.680 58.000 -0.054 0.000 1.249 310 F CB -1.234 37.746 39.000 -0.033 0.000 0.995 310 F HN 0.113 nan 8.300 nan 0.000 0.480 311 L N -1.085 120.080 121.223 -0.098 0.000 2.056 311 L HA -0.232 4.108 4.340 0.001 0.000 0.207 311 L C 2.496 179.374 176.870 0.015 0.000 1.078 311 L CA 1.223 55.993 54.840 -0.117 0.000 0.749 311 L CB -0.618 41.151 42.059 -0.484 0.000 0.901 311 L HN 0.130 nan 8.230 nan 0.000 0.433 312 M N -0.491 119.024 119.600 -0.142 0.000 2.117 312 M HA -0.158 4.322 4.480 0.001 0.000 0.262 312 M C 2.464 178.833 176.300 0.116 0.000 1.065 312 M CA 1.758 57.043 55.300 -0.025 0.000 1.114 312 M CB -0.541 32.019 32.600 -0.066 0.000 1.361 312 M HN 0.285 nan 8.290 nan 0.000 0.408 313 A N -0.899 121.894 122.820 -0.045 0.000 2.139 313 A HA -0.211 4.109 4.320 0.001 0.000 0.221 313 A C 1.634 179.374 177.584 0.260 0.000 1.159 313 A CA 1.107 53.208 52.037 0.106 0.000 0.662 313 A CB -0.973 18.076 19.000 0.080 0.000 0.796 313 A HN 0.690 nan 8.150 nan 0.000 0.463 314 Y N -0.038 120.309 120.300 0.078 0.000 2.746 314 Y HA 0.346 4.896 4.550 0.001 0.000 0.312 314 Y C 1.761 177.725 175.900 0.106 0.000 1.117 314 Y CA -0.489 57.627 58.100 0.027 0.000 1.324 314 Y CB -0.498 37.820 38.460 -0.237 0.000 1.173 314 Y HN 0.330 nan 8.280 nan 0.000 0.529 315 G N 1.811 110.809 108.800 0.329 0.000 2.917 315 G HA2 -0.395 3.566 3.960 0.001 0.000 0.249 315 G HA3 -0.395 3.566 3.960 0.001 0.000 0.249 315 G C 0.391 175.406 174.900 0.192 0.000 1.101 315 G CA 1.569 46.812 45.100 0.237 0.000 0.732 315 G HN 0.519 nan 8.290 nan 0.000 0.650 316 K N -1.125 119.412 120.400 0.228 0.000 2.323 316 K HA 0.582 4.902 4.320 0.001 0.000 0.259 316 K C -1.617 175.111 176.600 0.214 0.000 0.947 316 K CA -1.144 55.223 56.287 0.134 0.000 0.819 316 K CB 2.282 34.821 32.500 0.065 0.000 1.109 316 K HN 0.169 nan 8.250 nan 0.000 0.429 317 Y N 1.797 122.037 120.300 -0.100 0.000 2.341 317 Y HA 0.483 5.034 4.550 0.001 0.000 0.337 317 Y C -1.006 174.852 175.900 -0.071 0.000 1.014 317 Y CA -0.165 57.862 58.100 -0.122 0.000 1.111 317 Y CB 1.373 39.447 38.460 -0.644 0.000 1.194 317 Y HN 0.837 nan 8.280 nan 0.000 0.462 318 K N 4.759 124.664 120.400 -0.825 0.000 2.865 318 K HA 0.406 4.727 4.320 0.001 0.000 0.259 318 K C -2.024 174.339 176.600 -0.396 0.000 1.236 318 K CA -0.422 55.556 56.287 -0.514 0.000 1.024 318 K CB 0.286 32.656 32.500 -0.218 0.000 1.344 318 K HN 0.785 nan 8.250 nan 0.000 0.558 319 D N 1.109 121.272 120.400 -0.395 0.000 2.871 319 D HA 0.252 4.893 4.640 0.001 0.000 0.209 319 D C -0.257 176.010 176.300 -0.056 0.000 1.292 319 D CA 0.051 53.952 54.000 -0.165 0.000 0.869 319 D CB 1.356 42.083 40.800 -0.120 0.000 1.663 319 D HN 0.564 nan 8.370 nan 0.000 0.557 320 E N 0.517 120.696 120.200 -0.034 0.000 4.005 320 E HA -0.224 4.126 4.350 0.001 0.000 0.349 320 E C -0.200 176.396 176.600 -0.006 0.000 0.635 320 E CA 1.193 57.590 56.400 -0.005 0.000 1.238 320 E CB -0.402 29.313 29.700 0.025 0.000 1.698 320 E HN 0.572 nan 8.360 nan 0.000 0.418 321 E N -0.210 119.982 120.200 -0.013 0.000 2.446 321 E HA 0.411 4.762 4.350 0.001 0.000 0.276 321 E C -0.348 176.232 176.600 -0.034 0.000 0.969 321 E CA -0.649 55.739 56.400 -0.020 0.000 0.800 321 E CB 2.354 32.045 29.700 -0.015 0.000 1.341 321 E HN -0.051 nan 8.360 nan 0.000 0.460 322 V N 2.156 122.044 119.914 -0.045 0.000 2.877 322 V HA -0.171 3.950 4.120 0.001 0.000 0.294 322 V C 0.512 176.576 176.094 -0.051 0.000 1.280 322 V CA 0.765 63.034 62.300 -0.051 0.000 1.372 322 V CB -0.523 31.263 31.823 -0.061 0.000 0.867 322 V HN 0.590 nan 8.190 nan 0.000 0.513 323 E N 3.932 124.093 120.200 -0.066 0.000 1.861 323 E HA 0.571 4.921 4.350 0.001 0.000 0.263 323 E C 0.099 176.662 176.600 -0.062 0.000 1.137 323 E CA -0.081 56.270 56.400 -0.082 0.000 0.944 323 E CB 0.798 30.450 29.700 -0.081 0.000 1.092 323 E HN 0.723 nan 8.360 nan 0.000 0.420 324 A N 3.140 125.924 122.820 -0.060 0.000 2.352 324 A HA 0.575 4.896 4.320 0.001 0.000 0.299 324 A C -0.130 177.369 177.584 -0.142 0.000 1.160 324 A CA -0.730 51.255 52.037 -0.088 0.000 0.933 324 A CB 1.065 20.003 19.000 -0.103 0.000 1.387 324 A HN 0.488 nan 8.150 nan 0.000 0.487 325 E N -1.018 119.099 120.200 -0.139 0.000 2.235 325 E HA 0.319 4.669 4.350 0.001 0.000 0.265 325 E C -1.444 175.067 176.600 -0.147 0.000 0.940 325 E CA -0.450 55.853 56.400 -0.163 0.000 0.819 325 E CB 1.251 30.924 29.700 -0.044 0.000 1.206 325 E HN 0.609 nan 8.360 nan 0.000 0.409 326 W N 1.300 122.586 121.300 -0.023 0.000 2.181 326 W HA 0.081 4.741 4.660 0.001 0.000 0.335 326 W C 0.541 177.073 176.519 0.022 0.000 1.310 326 W CA -0.235 57.119 57.345 0.015 0.000 1.226 326 W CB 0.163 29.599 29.460 -0.040 0.000 1.155 326 W HN 0.427 nan 8.180 nan 0.000 0.565 327 N N 1.448 120.374 118.700 0.377 0.000 2.326 327 N HA 0.318 5.058 4.740 0.001 0.000 0.239 327 N C -0.887 174.739 175.510 0.193 0.000 1.301 327 N CA -0.300 52.891 53.050 0.235 0.000 0.909 327 N CB 0.248 38.876 38.487 0.235 0.000 1.156 327 N HN 0.092 nan 8.380 nan 0.000 0.462 328 L N 0.875 122.173 121.223 0.124 0.000 2.303 328 L HA 0.502 4.843 4.340 0.001 0.000 0.266 328 L C -2.189 174.873 176.870 0.320 0.000 1.011 328 L CA -2.336 52.529 54.840 0.041 0.000 0.818 328 L CB 1.092 42.952 42.059 -0.332 0.000 1.326 328 L HN 0.448 nan 8.230 nan 0.000 0.435 329 P HA -0.091 nan 4.420 nan 0.000 0.255 329 P C -0.051 177.627 177.300 0.630 0.000 1.173 329 P CA 0.483 63.907 63.100 0.539 0.000 0.780 329 P CB -0.006 32.129 31.700 0.725 0.000 0.758 330 Y N 3.907 124.392 120.300 0.308 0.000 2.133 330 Y HA -0.073 4.478 4.550 0.001 0.000 0.287 330 Y C 0.567 176.729 175.900 0.436 0.000 1.134 330 Y CA 1.537 59.830 58.100 0.322 0.000 1.133 330 Y CB 0.212 38.774 38.460 0.170 0.000 0.987 330 Y HN 0.245 nan 8.280 nan 0.000 0.502 331 D N -1.067 119.365 120.400 0.053 0.000 2.602 331 D HA 0.304 4.944 4.640 0.001 0.000 0.236 331 D C -1.245 174.791 176.300 -0.440 0.000 1.209 331 D CA -0.465 53.350 54.000 -0.308 0.000 0.831 331 D CB 1.616 42.258 40.800 -0.263 0.000 1.478 331 D HN 0.198 nan 8.370 nan 0.000 0.438 332 I N -1.074 119.029 120.570 -0.777 0.000 2.925 332 I HA 0.420 4.590 4.170 0.001 0.000 0.296 332 I C -2.594 173.067 176.117 -0.759 0.000 1.413 332 I CA -1.934 58.966 61.300 -0.667 0.000 0.932 332 I CB 1.273 38.909 38.000 -0.607 0.000 1.873 332 I HN -0.145 nan 8.210 nan 0.000 0.619 333 P HA 0.139 nan 4.420 nan 0.000 0.260 333 P C -0.172 176.697 177.300 -0.718 0.000 1.185 333 P CA 0.550 62.989 63.100 -1.101 0.000 0.763 333 P CB 0.783 31.319 31.700 -1.940 0.000 0.776 334 A N 3.966 126.483 122.820 -0.505 0.000 2.401 334 A HA 0.592 4.912 4.320 0.001 0.000 0.310 334 A C -0.606 176.816 177.584 -0.270 0.000 1.075 334 A CA -0.679 51.145 52.037 -0.355 0.000 0.746 334 A CB 1.283 20.094 19.000 -0.314 0.000 1.277 334 A HN 0.545 nan 8.150 nan 0.000 0.425 335 N N 0.568 119.129 118.700 -0.232 0.000 2.272 335 N HA 0.330 5.070 4.740 0.001 0.000 0.305 335 N C -0.590 174.768 175.510 -0.253 0.000 1.103 335 N CA -0.850 52.085 53.050 -0.192 0.000 0.791 335 N CB 1.491 39.894 38.487 -0.140 0.000 1.356 335 N HN 0.696 nan 8.380 nan 0.000 0.486 336 E N 0.677 120.742 120.200 -0.225 0.000 2.766 336 E HA 0.040 4.390 4.350 0.001 0.000 0.261 336 E C -0.455 175.953 176.600 -0.321 0.000 1.427 336 E CA 0.410 56.635 56.400 -0.292 0.000 1.085 336 E CB 0.372 29.989 29.700 -0.139 0.000 1.074 336 E HN 0.419 nan 8.360 nan 0.000 0.651 337 Y N -0.632 119.612 120.300 -0.092 0.000 2.282 337 Y HA 0.299 4.849 4.550 0.001 0.000 0.335 337 Y C 0.427 176.206 175.900 -0.203 0.000 1.335 337 Y CA -0.597 57.418 58.100 -0.141 0.000 1.529 337 Y CB 0.385 38.778 38.460 -0.112 0.000 1.429 337 Y HN 0.219 nan 8.280 nan 0.000 0.563 338 L N 0.541 121.670 121.223 -0.156 0.000 2.381 338 L HA 0.600 4.941 4.340 0.001 0.000 0.268 338 L C -0.459 176.196 176.870 -0.358 0.000 0.997 338 L CA -0.337 54.309 54.840 -0.324 0.000 0.818 338 L CB 2.069 43.784 42.059 -0.573 0.000 1.310 338 L HN 0.795 nan 8.230 nan 0.000 0.416 339 T N 1.247 115.739 114.554 -0.104 0.000 2.930 339 T HA 0.699 5.049 4.350 0.001 0.000 0.290 339 T C -1.078 173.789 174.700 0.278 0.000 1.052 339 T CA -0.748 61.409 62.100 0.094 0.000 1.017 339 T CB 1.632 70.567 68.868 0.111 0.000 1.137 339 T HN 0.480 nan 8.240 nan 0.000 0.511 340 L N 1.994 123.452 121.223 0.391 0.000 2.316 340 L HA 0.476 4.817 4.340 0.001 0.000 0.280 340 L C 0.192 177.323 176.870 0.436 0.000 1.006 340 L CA 0.146 55.172 54.840 0.309 0.000 0.836 340 L CB 0.122 42.097 42.059 -0.141 0.000 1.221 340 L HN 0.851 nan 8.230 nan 0.000 0.418 341 E N 4.430 124.838 120.200 0.347 0.000 2.328 341 E HA -0.270 4.081 4.350 0.001 0.000 0.233 341 E C 1.017 177.784 176.600 0.278 0.000 1.219 341 E CA 1.044 57.650 56.400 0.344 0.000 0.717 341 E CB -1.461 28.527 29.700 0.480 0.000 1.210 341 E HN 1.220 nan 8.360 nan 0.000 0.381 342 G N -0.683 108.248 108.800 0.219 0.000 2.176 342 G HA2 -0.337 3.623 3.960 0.001 0.000 0.253 342 G HA3 -0.337 3.623 3.960 0.001 0.000 0.253 342 G C 0.239 175.218 174.900 0.131 0.000 0.979 342 G CA 0.812 45.999 45.100 0.145 0.000 0.641 342 G HN 0.325 nan 8.290 nan 0.000 0.530 343 K N -0.026 120.499 120.400 0.209 0.000 2.395 343 K HA 0.573 4.894 4.320 0.001 0.000 0.247 343 K C -0.338 176.412 176.600 0.251 0.000 0.973 343 K CA -1.191 55.190 56.287 0.156 0.000 0.828 343 K CB 1.432 33.942 32.500 0.017 0.000 1.272 343 K HN 0.140 nan 8.250 nan 0.000 0.439 344 K N 0.755 121.254 120.400 0.164 0.000 2.258 344 K HA 0.209 4.529 4.320 0.001 0.000 0.264 344 K C -0.416 176.374 176.600 0.317 0.000 1.007 344 K CA -0.094 56.296 56.287 0.171 0.000 0.941 344 K CB -0.008 32.509 32.500 0.028 0.000 0.966 344 K HN 0.363 nan 8.250 nan 0.000 0.480 345 F N 0.784 120.687 119.950 -0.078 0.000 2.607 345 F HA 0.000 4.528 4.527 0.001 0.000 0.374 345 F C 0.877 176.647 175.800 -0.050 0.000 1.104 345 F CA 0.388 58.272 58.000 -0.193 0.000 1.296 345 F CB 0.669 39.325 39.000 -0.573 0.000 1.085 345 F HN 0.535 nan 8.300 nan 0.000 0.584 346 S N 2.365 118.143 115.700 0.129 0.000 2.737 346 S HA 0.191 4.661 4.470 0.001 0.000 0.269 346 S C 0.363 175.081 174.600 0.196 0.000 1.150 346 S CA -0.739 57.560 58.200 0.165 0.000 1.077 346 S CB 1.271 64.571 63.200 0.166 0.000 1.075 346 S HN 0.684 nan 8.310 nan 0.000 0.476 347 T N 3.239 117.941 114.554 0.246 0.000 2.821 347 T HA -0.078 4.272 4.350 0.001 0.000 0.267 347 T C 1.945 176.779 174.700 0.224 0.000 1.046 347 T CA 1.906 64.203 62.100 0.329 0.000 1.139 347 T CB -0.181 68.891 68.868 0.340 0.000 0.871 347 T HN 0.617 nan 8.240 nan 0.000 0.454 348 S N 1.359 117.157 115.700 0.163 0.000 2.344 348 S HA -0.093 4.378 4.470 0.001 0.000 0.217 348 S C 1.961 176.630 174.600 0.115 0.000 1.033 348 S CA 0.822 59.091 58.200 0.115 0.000 1.017 348 S CB -0.332 62.920 63.200 0.087 0.000 0.941 348 S HN 0.382 nan 8.310 nan 0.000 0.430 349 R N 1.742 122.313 120.500 0.118 0.000 2.357 349 R HA -0.035 4.305 4.340 0.001 0.000 0.202 349 R C -0.139 176.273 176.300 0.187 0.000 1.047 349 R CA 0.314 56.481 56.100 0.112 0.000 1.034 349 R CB -0.591 29.754 30.300 0.074 0.000 0.875 349 R HN 0.306 nan 8.270 nan 0.000 0.473 350 N N 0.242 119.073 118.700 0.218 0.000 2.725 350 N HA -0.244 4.496 4.740 0.001 0.000 0.251 350 N C -1.723 173.977 175.510 0.318 0.000 1.031 350 N CA 1.099 54.310 53.050 0.268 0.000 0.720 350 N CB -1.040 37.568 38.487 0.202 0.000 0.930 350 N HN 0.518 nan 8.380 nan 0.000 0.543 351 W N 0.425 121.718 121.300 -0.012 0.000 2.517 351 W HA 0.586 5.246 4.660 0.001 0.000 0.301 351 W C -0.811 175.446 176.519 -0.436 0.000 1.002 351 W CA 0.094 57.357 57.345 -0.137 0.000 1.415 351 W CB 0.835 30.244 29.460 -0.084 0.000 1.275 351 W HN 0.290 nan 8.180 nan 0.000 0.413 352 A N 4.848 127.085 122.820 -0.971 0.000 2.544 352 A HA 0.574 4.894 4.320 0.001 0.000 0.291 352 A C -1.965 174.709 177.584 -1.517 0.000 1.055 352 A CA -0.704 50.262 52.037 -1.785 0.000 0.651 352 A CB 1.238 19.165 19.000 -1.789 0.000 1.296 352 A HN 0.243 nan 8.150 nan 0.000 0.431 353 I N 1.084 120.674 120.570 -1.633 0.000 2.347 353 I HA 0.213 4.384 4.170 0.001 0.000 0.283 353 I C -1.079 174.662 176.117 -0.626 0.000 1.058 353 I CA -0.312 60.444 61.300 -0.906 0.000 1.202 353 I CB -0.167 37.173 38.000 -1.100 0.000 1.386 353 I HN 0.648 nan 8.210 nan 0.000 0.475 354 W N 5.734 126.968 121.300 -0.110 0.000 2.356 354 W HA 0.207 4.868 4.660 0.001 0.000 0.311 354 W C 1.521 178.055 176.519 0.025 0.000 1.328 354 W CA -0.564 56.788 57.345 0.012 0.000 1.251 354 W CB 0.547 30.016 29.460 0.013 0.000 1.280 354 W HN 0.280 nan 8.180 nan 0.000 0.524 355 V N 3.517 123.596 119.914 0.275 0.000 2.282 355 V HA -0.410 3.711 4.120 0.001 0.000 0.249 355 V C 2.739 178.971 176.094 0.229 0.000 1.057 355 V CA 2.485 64.901 62.300 0.194 0.000 1.032 355 V CB -1.082 30.828 31.823 0.145 0.000 0.645 355 V HN 0.785 nan 8.190 nan 0.000 0.447 356 H N 0.476 119.637 119.070 0.153 0.000 2.421 356 H HA -0.122 4.434 4.556 0.001 0.000 0.298 356 H C 1.922 177.315 175.328 0.108 0.000 1.087 356 H CA 1.918 58.030 56.048 0.106 0.000 1.330 356 H CB -0.288 29.512 29.762 0.063 0.000 1.388 356 H HN 0.577 nan 8.280 nan 0.000 0.526 357 E N 0.157 120.035 120.200 -0.538 0.000 2.021 357 E HA -0.085 4.266 4.350 0.001 0.000 0.189 357 E C 2.082 178.547 176.600 -0.225 0.000 0.980 357 E CA 0.723 56.780 56.400 -0.572 0.000 0.803 357 E CB -0.320 28.987 29.700 -0.655 0.000 0.766 357 E HN 0.316 nan 8.360 nan 0.000 0.449 358 F N 1.480 121.388 119.950 -0.071 0.000 2.154 358 F HA -0.197 4.330 4.527 0.001 0.000 0.301 358 F C 1.813 177.638 175.800 0.041 0.000 1.087 358 F CA 0.979 58.953 58.000 -0.044 0.000 1.274 358 F CB 0.052 38.953 39.000 -0.166 0.000 1.009 358 F HN -0.024 nan 8.300 nan 0.000 0.485 359 L N 0.170 121.561 121.223 0.280 0.000 2.675 359 L HA -0.075 4.266 4.340 0.001 0.000 0.238 359 L C 1.235 178.159 176.870 0.090 0.000 1.155 359 L CA 1.018 55.987 54.840 0.216 0.000 0.881 359 L CB -1.096 41.082 42.059 0.199 0.000 1.008 359 L HN 0.057 nan 8.230 nan 0.000 0.443 360 D N -2.030 118.390 120.400 0.033 0.000 2.327 360 D HA 0.057 4.698 4.640 0.001 0.000 0.205 360 D C 1.953 178.243 176.300 -0.017 0.000 0.989 360 D CA 0.617 54.645 54.000 0.048 0.000 0.873 360 D CB 0.748 41.627 40.800 0.131 0.000 0.955 360 D HN 0.157 nan 8.370 nan 0.000 0.515 361 V N -0.606 119.205 119.914 -0.170 0.000 3.572 361 V HA 0.212 4.332 4.120 0.001 0.000 0.260 361 V C -0.104 175.507 176.094 -0.805 0.000 1.324 361 V CA 0.279 62.285 62.300 -0.491 0.000 1.068 361 V CB 0.494 31.926 31.823 -0.652 0.000 0.837 361 V HN -0.106 nan 8.190 nan 0.000 0.450 362 F N 0.210 120.049 119.950 -0.185 0.000 2.551 362 F HA 0.645 5.172 4.527 0.001 0.000 0.316 362 F C -2.579 173.195 175.800 -0.045 0.000 1.089 362 F CA -2.917 55.022 58.000 -0.101 0.000 0.915 362 F CB 0.974 39.973 39.000 -0.001 0.000 1.186 362 F HN -0.170 nan 8.300 nan 0.000 0.456 363 P HA 0.098 nan 4.420 nan 0.000 0.269 363 P C 0.172 177.548 177.300 0.127 0.000 1.215 363 P CA 0.084 63.145 63.100 -0.065 0.000 0.780 363 P CB 0.845 32.338 31.700 -0.344 0.000 0.898 364 A N 2.373 125.279 122.820 0.143 0.000 1.978 364 A HA -0.221 4.099 4.320 0.001 0.000 0.220 364 A C 1.680 179.412 177.584 0.247 0.000 1.170 364 A CA 1.823 53.978 52.037 0.196 0.000 0.636 364 A CB -1.123 17.962 19.000 0.143 0.000 0.810 364 A HN 0.518 nan 8.150 nan 0.000 0.448 365 D N -1.132 119.418 120.400 0.249 0.000 2.144 365 D HA -0.151 4.490 4.640 0.001 0.000 0.199 365 D C 1.612 178.181 176.300 0.449 0.000 0.984 365 D CA 1.263 55.450 54.000 0.313 0.000 0.834 365 D CB -0.381 40.601 40.800 0.303 0.000 0.955 365 D HN 0.551 nan 8.370 nan 0.000 0.465 366 Y N 0.577 121.014 120.300 0.228 0.000 2.181 366 Y HA -0.082 4.469 4.550 0.001 0.000 0.288 366 Y C 2.292 178.485 175.900 0.488 0.000 1.146 366 Y CA 0.091 58.379 58.100 0.312 0.000 1.164 366 Y CB -0.895 37.814 38.460 0.415 0.000 0.982 366 Y HN -0.031 nan 8.280 nan 0.000 0.515 367 L N 0.073 121.653 121.223 0.594 0.000 2.109 367 L HA -0.071 4.270 4.340 0.001 0.000 0.207 367 L C 2.268 179.301 176.870 0.271 0.000 1.086 367 L CA 1.485 56.547 54.840 0.371 0.000 0.760 367 L CB -0.404 41.782 42.059 0.213 0.000 0.910 367 L HN -0.029 nan 8.230 nan 0.000 0.437 368 R N -2.123 118.539 120.500 0.270 0.000 2.090 368 R HA -0.168 4.173 4.340 0.001 0.000 0.228 368 R C 2.195 178.621 176.300 0.210 0.000 1.110 368 R CA 1.677 57.894 56.100 0.195 0.000 0.973 368 R CB -0.590 29.822 30.300 0.187 0.000 0.869 368 R HN 0.408 nan 8.270 nan 0.000 0.440 369 Y N 0.177 120.578 120.300 0.168 0.000 2.089 369 Y HA -0.347 4.203 4.550 0.001 0.000 0.282 369 Y C 2.300 178.266 175.900 0.109 0.000 1.139 369 Y CA 1.792 59.958 58.100 0.108 0.000 1.123 369 Y CB -0.508 37.961 38.460 0.015 0.000 0.980 369 Y HN 0.045 nan 8.280 nan 0.000 0.493 370 Y N 0.625 121.007 120.300 0.137 0.000 2.128 370 Y HA -0.289 4.261 4.550 0.001 0.000 0.284 370 Y C 2.116 177.974 175.900 -0.071 0.000 1.154 370 Y CA 1.876 59.987 58.100 0.019 0.000 1.149 370 Y CB -0.783 37.804 38.460 0.212 0.000 0.976 370 Y HN 0.224 nan 8.280 nan 0.000 0.505 371 L N -0.918 120.206 121.223 -0.165 0.000 2.083 371 L HA -0.253 4.088 4.340 0.001 0.000 0.209 371 L C 2.223 178.952 176.870 -0.234 0.000 1.083 371 L CA 1.966 56.651 54.840 -0.259 0.000 0.752 371 L CB -0.852 41.158 42.059 -0.082 0.000 0.899 371 L HN 0.225 nan 8.230 nan 0.000 0.433 372 T N -1.861 112.594 114.554 -0.165 0.000 2.951 372 T HA -0.138 4.213 4.350 0.001 0.000 0.268 372 T C 1.834 176.423 174.700 -0.186 0.000 1.073 372 T CA 1.429 63.464 62.100 -0.108 0.000 1.134 372 T CB -0.109 68.766 68.868 0.012 0.000 0.884 372 T HN 0.273 nan 8.240 nan 0.000 0.479 373 T N 2.315 116.665 114.554 -0.340 0.000 2.929 373 T HA 0.036 4.386 4.350 0.001 0.000 0.271 373 T C 1.397 175.937 174.700 -0.268 0.000 1.085 373 T CA 0.818 62.713 62.100 -0.341 0.000 1.125 373 T CB -0.317 68.327 68.868 -0.373 0.000 0.874 373 T HN 0.662 nan 8.240 nan 0.000 0.494 374 I N -2.449 117.922 120.570 -0.331 0.000 3.817 374 I HA 0.493 4.663 4.170 0.001 0.000 0.325 374 I C 0.022 176.023 176.117 -0.193 0.000 1.550 374 I CA -0.843 60.289 61.300 -0.280 0.000 1.100 374 I CB -0.158 37.579 38.000 -0.438 0.000 1.216 374 I HN -0.045 nan 8.210 nan 0.000 0.481 375 M N 4.169 123.687 119.600 -0.137 0.000 2.323 375 M HA 0.100 4.580 4.480 0.001 0.000 0.386 375 M C -2.079 174.183 176.300 -0.064 0.000 1.525 375 M CA -1.003 54.253 55.300 -0.073 0.000 0.914 375 M CB -0.045 32.571 32.600 0.027 0.000 2.042 375 M HN -0.035 nan 8.290 nan 0.000 0.483 376 P HA -0.001 nan 4.420 nan 0.000 0.262 376 P C -0.278 176.983 177.300 -0.067 0.000 1.647 376 P CA 0.286 63.338 63.100 -0.080 0.000 0.865 376 P CB -0.256 31.380 31.700 -0.107 0.000 1.834 377 E N 0.534 120.713 120.200 -0.036 0.000 1.949 377 E HA -0.162 4.188 4.350 0.001 0.000 0.205 377 E C 1.898 178.466 176.600 -0.052 0.000 0.957 377 E CA 2.052 58.436 56.400 -0.027 0.000 0.886 377 E CB -0.748 28.954 29.700 0.002 0.000 0.824 377 E HN 0.301 nan 8.360 nan 0.000 0.555 378 T N -0.494 114.034 114.554 -0.043 0.000 3.051 378 T HA -0.080 4.271 4.350 0.001 0.000 0.269 378 T C 0.574 175.250 174.700 -0.041 0.000 1.127 378 T CA 0.834 62.907 62.100 -0.044 0.000 1.107 378 T CB -0.118 68.730 68.868 -0.034 0.000 0.898 378 T HN 0.193 nan 8.240 nan 0.000 0.517 379 R N -0.833 119.643 120.500 -0.039 0.000 2.902 379 R HA 0.686 5.027 4.340 0.001 0.000 0.264 379 R C -2.114 174.170 176.300 -0.027 0.000 1.059 379 R CA -0.956 55.128 56.100 -0.026 0.000 0.935 379 R CB -0.274 30.020 30.300 -0.011 0.000 1.325 379 R HN -0.079 nan 8.270 nan 0.000 0.438 380 D N -0.072 120.328 120.400 0.001 0.000 2.313 380 D HA 0.569 5.209 4.640 0.001 0.000 0.247 380 D C -0.573 175.720 176.300 -0.011 0.000 1.094 380 D CA 0.095 54.100 54.000 0.009 0.000 0.925 380 D CB 1.232 42.068 40.800 0.059 0.000 1.188 380 D HN 0.474 nan 8.370 nan 0.000 0.430 381 S N 0.113 115.794 115.700 -0.031 0.000 2.599 381 S HA 0.444 4.914 4.470 0.001 0.000 0.294 381 S C -1.180 173.408 174.600 -0.019 0.000 1.094 381 S CA -0.848 57.329 58.200 -0.039 0.000 0.931 381 S CB 1.839 64.989 63.200 -0.083 0.000 1.093 381 S HN 0.424 nan 8.310 nan 0.000 0.488 382 D N 0.776 121.182 120.400 0.009 0.000 2.381 382 D HA 0.420 5.060 4.640 0.001 0.000 0.235 382 D C -1.160 175.207 176.300 0.112 0.000 1.068 382 D CA -0.433 53.611 54.000 0.073 0.000 0.832 382 D CB 0.506 41.361 40.800 0.092 0.000 1.101 382 D HN 0.298 nan 8.370 nan 0.000 0.515 383 F N 3.609 123.563 119.950 0.007 0.000 2.495 383 F HA 0.372 4.899 4.527 0.001 0.000 0.365 383 F C -0.123 175.693 175.800 0.027 0.000 1.090 383 F CA 0.307 58.331 58.000 0.039 0.000 1.235 383 F CB 0.737 39.716 39.000 -0.034 0.000 1.119 383 F HN 0.214 nan 8.300 nan 0.000 0.562 384 S N 5.318 120.897 115.700 -0.201 0.000 2.572 384 S HA 0.354 4.824 4.470 0.001 0.000 0.274 384 S C 0.301 174.732 174.600 -0.281 0.000 1.150 384 S CA -0.720 57.443 58.200 -0.061 0.000 0.944 384 S CB 0.556 63.815 63.200 0.098 0.000 1.071 384 S HN 0.590 nan 8.310 nan 0.000 0.479 385 F N 2.890 122.918 119.950 0.130 0.000 2.171 385 F HA -0.046 4.481 4.527 0.001 0.000 0.300 385 F C 2.919 178.630 175.800 -0.148 0.000 1.090 385 F CA 1.712 59.731 58.000 0.031 0.000 1.293 385 F CB -0.598 38.529 39.000 0.213 0.000 1.013 385 F HN 0.754 nan 8.300 nan 0.000 0.486 386 S N -0.717 114.924 115.700 -0.098 0.000 2.383 386 S HA -0.220 4.251 4.470 0.001 0.000 0.227 386 S C 1.854 176.366 174.600 -0.146 0.000 1.026 386 S CA 1.358 59.404 58.200 -0.256 0.000 0.981 386 S CB -0.632 62.407 63.200 -0.268 0.000 0.818 386 S HN 0.401 nan 8.310 nan 0.000 0.472 387 D N 0.825 121.157 120.400 -0.113 0.000 2.144 387 D HA -0.093 4.547 4.640 0.001 0.000 0.200 387 D C 1.599 177.682 176.300 -0.363 0.000 0.978 387 D CA 0.868 54.790 54.000 -0.130 0.000 0.833 387 D CB -0.474 40.322 40.800 -0.006 0.000 0.961 387 D HN 0.385 nan 8.370 nan 0.000 0.470 388 F N 2.179 121.611 119.950 -0.864 0.000 2.051 388 F HA -0.160 4.367 4.527 0.001 0.000 0.296 388 F C 2.237 177.678 175.800 -0.597 0.000 1.122 388 F CA 2.508 59.742 58.000 -1.277 0.000 1.201 388 F CB -0.555 37.721 39.000 -1.208 0.000 0.978 388 F HN -0.006 nan 8.300 nan 0.000 0.472 389 K N -0.040 120.012 120.400 -0.579 0.000 2.057 389 K HA -0.122 4.198 4.320 0.001 0.000 0.207 389 K C 1.997 178.348 176.600 -0.415 0.000 1.049 389 K CA 1.853 57.818 56.287 -0.537 0.000 0.931 389 K CB -1.342 31.056 32.500 -0.169 0.000 0.714 389 K HN 0.295 nan 8.250 nan 0.000 0.440 390 V N 2.041 121.783 119.914 -0.287 0.000 2.332 390 V HA -0.216 3.904 4.120 0.001 0.000 0.248 390 V C 2.604 178.572 176.094 -0.210 0.000 1.055 390 V CA 1.787 63.968 62.300 -0.200 0.000 1.038 390 V CB -0.442 31.304 31.823 -0.130 0.000 0.651 390 V HN 0.392 nan 8.190 nan 0.000 0.450 391 R N -0.716 119.646 120.500 -0.231 0.000 2.075 391 R HA -0.083 4.257 4.340 0.001 0.000 0.232 391 R C 2.171 178.324 176.300 -0.246 0.000 1.126 391 R CA 1.379 57.399 56.100 -0.133 0.000 0.963 391 R CB -0.437 29.879 30.300 0.027 0.000 0.858 391 R HN 0.385 nan 8.270 nan 0.000 0.435 392 I N 1.782 122.064 120.570 -0.480 0.000 2.113 392 I HA -0.266 3.904 4.170 0.001 0.000 0.238 392 I C 1.807 177.614 176.117 -0.516 0.000 1.070 392 I CA 1.575 62.467 61.300 -0.680 0.000 1.332 392 I CB -1.374 36.002 38.000 -1.039 0.000 1.044 392 I HN 0.259 nan 8.210 nan 0.000 0.402 393 N N 0.211 118.676 118.700 -0.392 0.000 2.120 393 N HA -0.231 4.510 4.740 0.001 0.000 0.188 393 N C 1.770 177.177 175.510 -0.171 0.000 1.024 393 N CA 1.056 53.964 53.050 -0.237 0.000 0.852 393 N CB -0.053 38.331 38.487 -0.172 0.000 1.003 393 N HN 0.289 nan 8.380 nan 0.000 0.424 394 E N 0.759 120.862 120.200 -0.162 0.000 2.112 394 E HA -0.055 4.296 4.350 0.001 0.000 0.190 394 E C 1.413 177.952 176.600 -0.101 0.000 0.979 394 E CA 1.061 57.397 56.400 -0.106 0.000 0.814 394 E CB 0.281 29.931 29.700 -0.083 0.000 0.762 394 E HN 0.369 nan 8.360 nan 0.000 0.460 395 E N -0.853 119.261 120.200 -0.144 0.000 2.083 395 E HA 0.002 4.353 4.350 0.001 0.000 0.193 395 E C 1.818 178.275 176.600 -0.240 0.000 0.950 395 E CA 0.132 56.450 56.400 -0.137 0.000 0.849 395 E CB -0.148 29.514 29.700 -0.063 0.000 0.827 395 E HN 0.049 nan 8.360 nan 0.000 0.465 396 L N 1.086 122.022 121.223 -0.479 0.000 2.027 396 L HA -0.138 4.203 4.340 0.001 0.000 0.206 396 L C 2.142 178.884 176.870 -0.213 0.000 1.074 396 L CA 1.382 55.852 54.840 -0.617 0.000 0.745 396 L CB -0.226 41.154 42.059 -1.131 0.000 0.898 396 L HN -0.002 nan 8.230 nan 0.000 0.433 397 V N -0.363 119.449 119.914 -0.171 0.000 2.249 397 V HA -0.191 3.929 4.120 0.001 0.000 0.239 397 V C 2.147 178.261 176.094 0.033 0.000 1.038 397 V CA 1.692 64.012 62.300 0.034 0.000 1.005 397 V CB -0.786 31.018 31.823 -0.032 0.000 0.646 397 V HN 0.429 nan 8.190 nan 0.000 0.455 398 N N 0.525 119.210 118.700 -0.025 0.000 2.348 398 N HA -0.144 4.596 4.740 0.001 0.000 0.185 398 N C 1.546 177.064 175.510 0.014 0.000 1.019 398 N CA 1.310 54.354 53.050 -0.009 0.000 0.880 398 N CB -0.381 38.089 38.487 -0.028 0.000 0.965 398 N HN 0.611 nan 8.380 nan 0.000 0.437 399 N N 0.015 118.723 118.700 0.012 0.000 2.652 399 N HA -0.005 4.735 4.740 0.001 0.000 0.226 399 N C 1.598 177.168 175.510 0.100 0.000 1.023 399 N CA -0.118 52.954 53.050 0.036 0.000 1.126 399 N CB -0.305 38.182 38.487 0.000 0.000 1.476 399 N HN -0.033 nan 8.380 nan 0.000 0.537 400 L N 1.879 123.161 121.223 0.099 0.000 1.970 400 L HA 0.036 4.376 4.340 0.001 0.000 0.212 400 L C 2.291 179.320 176.870 0.264 0.000 1.071 400 L CA 2.492 57.450 54.840 0.196 0.000 0.751 400 L CB -1.261 40.914 42.059 0.194 0.000 0.889 400 L HN 0.362 nan 8.230 nan 0.000 0.432 401 G N -0.687 108.293 108.800 0.301 0.000 2.440 401 G HA2 -0.360 3.600 3.960 0.001 0.000 0.218 401 G HA3 -0.360 3.600 3.960 0.001 0.000 0.218 401 G C 1.585 176.526 174.900 0.068 0.000 1.154 401 G CA 0.830 46.006 45.100 0.126 0.000 0.767 401 G HN 0.506 nan 8.290 nan 0.000 0.552 402 N N 0.354 119.117 118.700 0.105 0.000 2.025 402 N HA -0.159 4.582 4.740 0.001 0.000 0.194 402 N C 1.996 177.563 175.510 0.094 0.000 1.044 402 N CA 1.393 54.494 53.050 0.085 0.000 0.851 402 N CB -0.442 38.087 38.487 0.071 0.000 1.036 402 N HN 0.248 nan 8.380 nan 0.000 0.422 403 F N 2.143 122.083 119.950 -0.017 0.000 2.025 403 F HA -0.230 4.297 4.527 0.001 0.000 0.297 403 F C 2.428 178.197 175.800 -0.053 0.000 1.132 403 F CA 1.540 59.514 58.000 -0.045 0.000 1.191 403 F CB -0.933 38.079 39.000 0.020 0.000 0.963 403 F HN -0.125 nan 8.300 nan 0.000 0.481 404 V N 0.823 120.668 119.914 -0.116 0.000 2.277 404 V HA -0.429 3.691 4.120 0.001 0.000 0.253 404 V C 2.600 178.570 176.094 -0.208 0.000 1.067 404 V CA 2.537 64.696 62.300 -0.235 0.000 1.047 404 V CB -1.211 30.587 31.823 -0.043 0.000 0.649 404 V HN 0.609 nan 8.190 nan 0.000 0.447 405 H N 0.058 118.988 119.070 -0.234 0.000 2.293 405 H HA -0.150 4.406 4.556 0.001 0.000 0.300 405 H C 2.715 177.856 175.328 -0.310 0.000 1.082 405 H CA 1.937 57.847 56.048 -0.230 0.000 1.308 405 H CB 0.148 29.799 29.762 -0.185 0.000 1.375 405 H HN 0.330 nan 8.280 nan 0.000 0.495 406 R N 0.421 120.669 120.500 -0.421 0.000 2.097 406 R HA -0.185 4.155 4.340 0.001 0.000 0.236 406 R C 2.617 178.556 176.300 -0.600 0.000 1.135 406 R CA 1.148 56.865 56.100 -0.638 0.000 0.934 406 R CB -0.714 29.240 30.300 -0.577 0.000 0.846 406 R HN 0.336 nan 8.270 nan 0.000 0.431 407 A N 1.677 124.154 122.820 -0.571 0.000 1.870 407 A HA -0.228 4.092 4.320 0.001 0.000 0.219 407 A C 2.353 179.898 177.584 -0.064 0.000 1.224 407 A CA 1.773 53.652 52.037 -0.263 0.000 0.650 407 A CB -0.961 17.763 19.000 -0.461 0.000 0.836 407 A HN 0.237 nan 8.150 nan 0.000 0.454 408 L N -1.040 120.095 121.223 -0.147 0.000 2.012 408 L HA -0.193 4.147 4.340 0.001 0.000 0.210 408 L C 2.775 179.600 176.870 -0.076 0.000 1.073 408 L CA 1.911 56.711 54.840 -0.066 0.000 0.748 408 L CB -1.031 40.990 42.059 -0.063 0.000 0.891 408 L HN 0.402 nan 8.230 nan 0.000 0.431 409 T N -0.538 113.858 114.554 -0.263 0.000 2.869 409 T HA -0.202 4.148 4.350 0.001 0.000 0.270 409 T C 1.500 176.092 174.700 -0.180 0.000 1.082 409 T CA 1.519 63.410 62.100 -0.348 0.000 1.123 409 T CB -0.296 68.142 68.868 -0.717 0.000 0.856 409 T HN 0.215 nan 8.240 nan 0.000 0.499 410 F N -0.423 119.589 119.950 0.103 0.000 2.274 410 F HA 0.131 4.658 4.527 0.001 0.000 0.288 410 F C 2.404 178.424 175.800 0.368 0.000 1.069 410 F CA -0.073 58.111 58.000 0.306 0.000 1.343 410 F CB -0.229 38.976 39.000 0.342 0.000 1.089 410 F HN -0.107 nan 8.300 nan 0.000 0.517 411 V N 0.446 120.618 119.914 0.429 0.000 2.688 411 V HA -0.300 3.820 4.120 0.001 0.000 0.256 411 V C 1.419 177.709 176.094 0.326 0.000 1.084 411 V CA 2.275 64.775 62.300 0.333 0.000 1.103 411 V CB -0.616 31.297 31.823 0.150 0.000 0.688 411 V HN 0.329 nan 8.190 nan 0.000 0.480 412 N N -0.604 118.240 118.700 0.240 0.000 2.395 412 N HA 0.015 4.755 4.740 0.001 0.000 0.175 412 N C 1.940 177.536 175.510 0.142 0.000 1.029 412 N CA 0.686 53.826 53.050 0.150 0.000 0.897 412 N CB -0.125 38.399 38.487 0.061 0.000 0.991 412 N HN 0.432 nan 8.380 nan 0.000 0.441 413 R N -0.870 119.755 120.500 0.209 0.000 2.080 413 R HA -0.003 4.338 4.340 0.001 0.000 0.222 413 R C 0.694 176.926 176.300 -0.113 0.000 1.107 413 R CA 1.202 57.328 56.100 0.043 0.000 0.980 413 R CB 0.016 30.367 30.300 0.085 0.000 0.879 413 R HN 0.280 nan 8.270 nan 0.000 0.439 414 Y N -1.938 118.471 120.300 0.181 0.000 2.449 414 Y HA 0.236 4.787 4.550 0.001 0.000 0.254 414 Y C 0.258 175.939 175.900 -0.364 0.000 1.140 414 Y CA -0.074 57.999 58.100 -0.045 0.000 1.272 414 Y CB 0.731 39.186 38.460 -0.008 0.000 1.114 414 Y HN -0.017 nan 8.280 nan 0.000 0.525 415 F N -0.905 119.157 119.950 0.186 0.000 2.880 415 F HA 0.252 4.780 4.527 0.001 0.000 0.328 415 F C -0.357 175.483 175.800 0.067 0.000 1.146 415 F CA -0.976 57.093 58.000 0.114 0.000 1.135 415 F CB 0.415 39.485 39.000 0.116 0.000 1.151 415 F HN -0.224 nan 8.300 nan 0.000 0.523 416 D N 1.223 121.727 120.400 0.174 0.000 2.735 416 D HA -0.181 4.460 4.640 0.001 0.000 0.235 416 D C 1.483 177.848 176.300 0.110 0.000 1.175 416 D CA 1.329 55.389 54.000 0.099 0.000 0.683 416 D CB -1.118 39.716 40.800 0.056 0.000 1.008 416 D HN 0.680 nan 8.370 nan 0.000 0.416 417 G N -1.085 107.795 108.800 0.133 0.000 2.337 417 G HA2 -0.289 3.671 3.960 0.001 0.000 0.290 417 G HA3 -0.289 3.671 3.960 0.001 0.000 0.290 417 G C 0.422 175.357 174.900 0.060 0.000 1.003 417 G CA 0.595 45.746 45.100 0.085 0.000 0.825 417 G HN 0.602 nan 8.290 nan 0.000 0.509 418 V N 0.286 120.268 119.914 0.115 0.000 2.459 418 V HA 0.409 4.529 4.120 0.001 0.000 0.295 418 V C 0.908 177.027 176.094 0.043 0.000 1.029 418 V CA -0.963 61.380 62.300 0.072 0.000 0.874 418 V CB 2.006 33.888 31.823 0.098 0.000 0.985 418 V HN 0.170 nan 8.190 nan 0.000 0.438 419 V N 8.265 128.186 119.914 0.012 0.000 2.420 419 V HA 0.066 4.186 4.120 0.001 0.000 0.274 419 V C -1.902 174.141 176.094 -0.085 0.000 1.003 419 V CA -0.701 61.577 62.300 -0.037 0.000 1.092 419 V CB 0.146 31.988 31.823 0.032 0.000 1.002 419 V HN 0.770 nan 8.190 nan 0.000 0.473 420 P HA 0.113 nan 4.420 nan 0.000 0.269 420 P C -0.184 177.052 177.300 -0.107 0.000 1.217 420 P CA -0.187 62.758 63.100 -0.257 0.000 0.783 420 P CB 0.681 31.951 31.700 -0.716 0.000 0.898 421 E N 1.259 121.442 120.200 -0.028 0.000 2.266 421 E HA 0.209 4.559 4.350 0.001 0.000 0.277 421 E C -0.280 176.313 176.600 -0.012 0.000 1.018 421 E CA -0.686 55.709 56.400 -0.009 0.000 0.840 421 E CB 0.577 30.287 29.700 0.017 0.000 1.082 421 E HN 0.180 nan 8.360 nan 0.000 0.395 422 R N 2.094 122.588 120.500 -0.010 0.000 2.298 422 R HA 0.310 4.650 4.340 0.001 0.000 0.310 422 R C 0.211 176.513 176.300 0.003 0.000 1.068 422 R CA 0.069 56.166 56.100 -0.005 0.000 0.957 422 R CB 1.089 31.389 30.300 0.000 0.000 1.003 422 R HN 0.640 nan 8.270 nan 0.000 0.454 423 G N 1.612 110.415 108.800 0.004 0.000 2.641 423 G HA2 0.114 4.074 3.960 0.001 0.000 0.239 423 G HA3 0.114 4.074 3.960 0.001 0.000 0.239 423 G C -0.627 174.275 174.900 0.004 0.000 1.402 423 G CA -0.529 44.574 45.100 0.005 0.000 1.046 423 G HN 0.458 nan 8.290 nan 0.000 0.565 424 E N -0.749 119.452 120.200 0.001 0.000 2.467 424 E HA 0.084 4.435 4.350 0.001 0.000 0.264 424 E C -0.617 175.986 176.600 0.004 0.000 1.020 424 E CA 0.271 56.672 56.400 0.001 0.000 0.945 424 E CB 0.927 30.625 29.700 -0.003 0.000 0.942 424 E HN 0.036 nan 8.360 nan 0.000 0.449 425 L N 3.570 124.799 121.223 0.010 0.000 2.322 425 L HA 0.201 4.542 4.340 0.001 0.000 0.281 425 L C 0.725 177.606 176.870 0.018 0.000 1.014 425 L CA -0.441 54.412 54.840 0.022 0.000 0.815 425 L CB 1.144 43.222 42.059 0.030 0.000 1.247 425 L HN 0.452 nan 8.230 nan 0.000 0.421 426 D N 1.371 121.783 120.400 0.020 0.000 2.507 426 D HA 0.112 4.752 4.640 0.001 0.000 0.280 426 D C 0.558 176.877 176.300 0.031 0.000 1.219 426 D CA -0.402 53.604 54.000 0.011 0.000 1.085 426 D CB 0.815 41.609 40.800 -0.010 0.000 1.134 426 D HN 0.321 nan 8.370 nan 0.000 0.583 427 E N -0.286 119.928 120.200 0.023 0.000 2.038 427 E HA -0.107 4.243 4.350 0.001 0.000 0.195 427 E C 2.055 178.706 176.600 0.086 0.000 1.000 427 E CA 0.678 57.102 56.400 0.040 0.000 0.803 427 E CB -0.523 29.189 29.700 0.021 0.000 0.750 427 E HN 0.447 nan 8.360 nan 0.000 0.448 428 L N 1.200 122.487 121.223 0.106 0.000 2.046 428 L HA -0.230 4.110 4.340 0.001 0.000 0.208 428 L C 2.022 179.080 176.870 0.313 0.000 1.077 428 L CA 1.346 56.326 54.840 0.233 0.000 0.747 428 L CB -0.411 41.777 42.059 0.214 0.000 0.896 428 L HN 0.100 nan 8.230 nan 0.000 0.432 429 D N -0.415 120.131 120.400 0.244 0.000 2.104 429 D HA -0.233 4.407 4.640 0.001 0.000 0.194 429 D C 2.201 178.567 176.300 0.110 0.000 0.994 429 D CA 1.145 55.262 54.000 0.196 0.000 0.830 429 D CB -0.190 40.686 40.800 0.126 0.000 0.959 429 D HN 0.080 nan 8.370 nan 0.000 0.452 430 R N 0.906 121.458 120.500 0.087 0.000 2.081 430 R HA -0.094 4.246 4.340 0.001 0.000 0.235 430 R C 2.048 178.376 176.300 0.046 0.000 1.131 430 R CA 1.358 57.489 56.100 0.052 0.000 0.960 430 R CB -0.310 30.015 30.300 0.041 0.000 0.856 430 R HN 0.264 nan 8.270 nan 0.000 0.436 431 E N -0.988 119.263 120.200 0.085 0.000 2.152 431 E HA -0.097 4.253 4.350 0.001 0.000 0.192 431 E C 1.661 178.276 176.600 0.025 0.000 0.983 431 E CA 0.863 57.305 56.400 0.070 0.000 0.818 431 E CB -0.037 29.754 29.700 0.150 0.000 0.758 431 E HN 0.410 nan 8.360 nan 0.000 0.467 432 A N 0.945 123.849 122.820 0.140 0.000 1.898 432 A HA -0.131 4.189 4.320 0.001 0.000 0.216 432 A C 2.120 179.654 177.584 -0.083 0.000 1.181 432 A CA 1.002 53.101 52.037 0.103 0.000 0.620 432 A CB -0.579 18.413 19.000 -0.013 0.000 0.819 432 A HN 0.284 nan 8.150 nan 0.000 0.442 433 L N -0.715 120.480 121.223 -0.048 0.000 2.201 433 L HA -0.145 4.195 4.340 0.001 0.000 0.212 433 L C 2.434 179.253 176.870 -0.085 0.000 1.105 433 L CA 1.190 55.998 54.840 -0.053 0.000 0.775 433 L CB -0.572 41.486 42.059 -0.001 0.000 0.913 433 L HN 0.472 nan 8.230 nan 0.000 0.440 434 E N -0.186 119.960 120.200 -0.090 0.000 2.072 434 E HA -0.167 4.183 4.350 0.001 0.000 0.190 434 E C 2.058 178.563 176.600 -0.158 0.000 0.982 434 E CA 0.528 56.871 56.400 -0.096 0.000 0.803 434 E CB 0.061 29.717 29.700 -0.073 0.000 0.755 434 E HN 0.357 nan 8.360 nan 0.000 0.453 435 E N 0.953 120.984 120.200 -0.282 0.000 2.085 435 E HA -0.186 4.165 4.350 0.001 0.000 0.194 435 E C 2.148 178.586 176.600 -0.270 0.000 0.994 435 E CA 0.801 56.954 56.400 -0.412 0.000 0.801 435 E CB -0.181 28.956 29.700 -0.938 0.000 0.743 435 E HN 0.342 nan 8.360 nan 0.000 0.453 436 I N 1.022 121.450 120.570 -0.236 0.000 2.208 436 I HA -0.292 3.879 4.170 0.001 0.000 0.245 436 I C 2.299 178.403 176.117 -0.021 0.000 1.097 436 I CA 1.293 62.490 61.300 -0.172 0.000 1.363 436 I CB -0.293 37.503 38.000 -0.339 0.000 1.051 436 I HN 0.125 nan 8.210 nan 0.000 0.413 437 E N 0.827 120.983 120.200 -0.073 0.000 2.051 437 E HA -0.235 4.115 4.350 0.001 0.000 0.192 437 E C 2.200 178.834 176.600 0.057 0.000 0.991 437 E CA 1.142 57.533 56.400 -0.014 0.000 0.799 437 E CB -0.058 29.621 29.700 -0.034 0.000 0.748 437 E HN 0.415 nan 8.360 nan 0.000 0.449 438 K N 0.650 121.044 120.400 -0.010 0.000 2.044 438 K HA -0.209 4.111 4.320 0.001 0.000 0.210 438 K C 2.221 178.837 176.600 0.026 0.000 1.049 438 K CA 1.282 57.563 56.287 -0.008 0.000 0.927 438 K CB -0.251 32.204 32.500 -0.074 0.000 0.713 438 K HN 0.065 nan 8.250 nan 0.000 0.443 439 A N 1.243 124.059 122.820 -0.006 0.000 1.849 439 A HA -0.210 4.110 4.320 0.001 0.000 0.217 439 A C 2.005 179.621 177.584 0.053 0.000 1.202 439 A CA 1.744 53.761 52.037 -0.034 0.000 0.629 439 A CB -1.119 17.798 19.000 -0.139 0.000 0.834 439 A HN 0.238 nan 8.150 nan 0.000 0.447 440 F N 0.300 120.226 119.950 -0.039 0.000 2.085 440 F HA -0.268 4.259 4.527 0.001 0.000 0.299 440 F C 2.455 178.461 175.800 0.344 0.000 1.096 440 F CA 2.200 60.248 58.000 0.079 0.000 1.227 440 F CB -0.255 38.689 39.000 -0.094 0.000 0.983 440 F HN 0.167 nan 8.300 nan 0.000 0.482 441 K N 0.818 121.440 120.400 0.369 0.000 1.985 441 K HA -0.189 4.131 4.320 0.001 0.000 0.210 441 K C 1.979 178.683 176.600 0.173 0.000 1.047 441 K CA 2.012 58.453 56.287 0.257 0.000 0.932 441 K CB -0.389 32.201 32.500 0.149 0.000 0.716 441 K HN 0.355 nan 8.250 nan 0.000 0.439 442 E N 0.213 120.478 120.200 0.107 0.000 2.072 442 E HA -0.123 4.228 4.350 0.001 0.000 0.191 442 E C 2.131 178.747 176.600 0.028 0.000 0.985 442 E CA 1.066 57.491 56.400 0.042 0.000 0.801 442 E CB -0.063 29.643 29.700 0.009 0.000 0.750 442 E HN 0.048 nan 8.360 nan 0.000 0.452 443 V N 1.378 121.339 119.914 0.077 0.000 2.287 443 V HA -0.245 3.876 4.120 0.001 0.000 0.248 443 V C 2.461 178.528 176.094 -0.045 0.000 1.053 443 V CA 2.129 64.479 62.300 0.083 0.000 1.027 443 V CB -1.188 30.758 31.823 0.206 0.000 0.646 443 V HN 0.422 nan 8.190 nan 0.000 0.447 444 G N -0.392 108.416 108.800 0.014 0.000 2.476 444 G HA2 -0.280 3.681 3.960 0.001 0.000 0.218 444 G HA3 -0.280 3.681 3.960 0.001 0.000 0.218 444 G C 1.437 176.053 174.900 -0.472 0.000 1.164 444 G CA 1.147 45.959 45.100 -0.480 0.000 0.768 444 G HN 0.619 nan 8.290 nan 0.000 0.560 445 E N 0.084 120.176 120.200 -0.179 0.000 2.072 445 E HA 0.007 4.358 4.350 0.001 0.000 0.191 445 E C 2.587 179.063 176.600 -0.206 0.000 0.985 445 E CA 0.409 56.717 56.400 -0.153 0.000 0.801 445 E CB -0.212 29.448 29.700 -0.067 0.000 0.750 445 E HN 0.380 nan 8.360 nan 0.000 0.452 446 L N 0.839 121.950 121.223 -0.188 0.000 2.083 446 L HA -0.191 4.149 4.340 0.001 0.000 0.209 446 L C 2.413 179.100 176.870 -0.306 0.000 1.083 446 L CA 0.916 55.636 54.840 -0.199 0.000 0.752 446 L CB -0.336 41.649 42.059 -0.123 0.000 0.899 446 L HN 0.182 nan 8.230 nan 0.000 0.433 447 I N -0.919 119.436 120.570 -0.359 0.000 2.163 447 I HA -0.281 3.890 4.170 0.001 0.000 0.240 447 I C 2.372 178.327 176.117 -0.270 0.000 1.081 447 I CA 1.014 62.091 61.300 -0.372 0.000 1.353 447 I CB -0.238 37.411 38.000 -0.586 0.000 1.054 447 I HN 0.244 nan 8.210 nan 0.000 0.407 448 M N 0.259 119.666 119.600 -0.322 0.000 2.623 448 M HA -0.158 4.322 4.480 0.001 0.000 0.258 448 M C 1.025 177.104 176.300 -0.369 0.000 1.067 448 M CA 1.336 56.553 55.300 -0.138 0.000 1.068 448 M CB -1.249 31.277 32.600 -0.123 0.000 1.409 448 M HN 0.320 nan 8.290 nan 0.000 0.504 449 N N -0.883 117.531 118.700 -0.476 0.000 2.187 449 N HA 0.029 4.769 4.740 0.001 0.000 0.212 449 N C -0.637 174.501 175.510 -0.620 0.000 1.152 449 N CA 0.041 52.745 53.050 -0.578 0.000 0.872 449 N CB 0.650 38.956 38.487 -0.301 0.000 1.025 449 N HN 0.243 nan 8.380 nan 0.000 0.514 450 Y N -0.477 119.563 120.300 -0.433 0.000 4.490 450 Y HA -0.225 4.325 4.550 0.001 0.000 0.233 450 Y C -0.027 175.261 175.900 -1.020 0.000 1.101 450 Y CA 0.033 57.625 58.100 -0.847 0.000 2.010 450 Y CB -2.469 35.773 38.460 -0.363 0.000 1.622 450 Y HN 0.067 nan 8.280 nan 0.000 0.675 451 R N 0.646 120.719 120.500 -0.712 0.000 3.785 451 R HA 0.341 4.682 4.340 0.001 0.000 0.255 451 R C 0.547 176.637 176.300 -0.350 0.000 1.485 451 R CA -0.216 55.645 56.100 -0.398 0.000 1.555 451 R CB -0.670 29.493 30.300 -0.228 0.000 1.362 451 R HN 0.324 nan 8.270 nan 0.000 0.702 452 F N 0.810 120.808 119.950 0.079 0.000 2.163 452 F HA -0.101 4.426 4.527 0.001 0.000 0.297 452 F C 2.540 178.417 175.800 0.129 0.000 1.094 452 F CA 0.922 59.003 58.000 0.135 0.000 1.290 452 F CB -0.174 38.886 39.000 0.100 0.000 1.017 452 F HN 0.170 nan 8.300 nan 0.000 0.483 453 K N 0.498 121.022 120.400 0.207 0.000 2.103 453 K HA -0.210 4.111 4.320 0.001 0.000 0.207 453 K C 1.424 178.030 176.600 0.011 0.000 1.048 453 K CA 2.064 58.390 56.287 0.065 0.000 0.930 453 K CB -0.190 32.317 32.500 0.012 0.000 0.716 453 K HN 0.091 nan 8.250 nan 0.000 0.444 454 D N -0.323 120.080 120.400 0.004 0.000 2.213 454 D HA 0.027 4.668 4.640 0.001 0.000 0.205 454 D C 1.689 177.978 176.300 -0.019 0.000 0.961 454 D CA 1.016 55.000 54.000 -0.026 0.000 0.853 454 D CB 0.007 40.781 40.800 -0.044 0.000 0.967 454 D HN 0.348 nan 8.370 nan 0.000 0.496 455 A N 0.824 123.666 122.820 0.037 0.000 1.873 455 A HA -0.129 4.192 4.320 0.001 0.000 0.215 455 A C 2.090 179.652 177.584 -0.035 0.000 1.186 455 A CA 0.931 53.022 52.037 0.090 0.000 0.616 455 A CB -0.749 18.411 19.000 0.266 0.000 0.823 455 A HN 0.258 nan 8.150 nan 0.000 0.442 456 L N -0.302 120.852 121.223 -0.115 0.000 2.131 456 L HA -0.107 4.233 4.340 0.001 0.000 0.210 456 L C 2.115 178.806 176.870 -0.299 0.000 1.092 456 L CA 2.239 56.731 54.840 -0.580 0.000 0.759 456 L CB -0.533 41.292 42.059 -0.390 0.000 0.903 456 L HN 0.371 nan 8.230 nan 0.000 0.435 457 K N -1.241 119.067 120.400 -0.153 0.000 2.097 457 K HA -0.100 4.220 4.320 0.001 0.000 0.205 457 K C 2.268 178.815 176.600 -0.089 0.000 1.050 457 K CA 0.659 56.888 56.287 -0.097 0.000 0.938 457 K CB -0.072 32.389 32.500 -0.065 0.000 0.718 457 K HN 0.134 nan 8.250 nan 0.000 0.442 458 R N 0.501 120.946 120.500 -0.092 0.000 2.120 458 R HA -0.083 4.258 4.340 0.001 0.000 0.234 458 R C 2.012 178.249 176.300 -0.104 0.000 1.123 458 R CA 0.941 56.994 56.100 -0.079 0.000 0.975 458 R CB -0.346 29.920 30.300 -0.057 0.000 0.866 458 R HN 0.083 nan 8.270 nan 0.000 0.446 459 V N 0.832 120.653 119.914 -0.155 0.000 2.283 459 V HA -0.234 3.887 4.120 0.001 0.000 0.243 459 V C 2.474 178.501 176.094 -0.112 0.000 1.039 459 V CA 1.305 63.502 62.300 -0.170 0.000 1.016 459 V CB -0.332 31.325 31.823 -0.277 0.000 0.650 459 V HN 0.184 nan 8.190 nan 0.000 0.449 460 M N 0.944 120.489 119.600 -0.091 0.000 2.149 460 M HA -0.142 4.338 4.480 0.001 0.000 0.261 460 M C 2.503 178.782 176.300 -0.034 0.000 1.064 460 M CA 2.271 57.551 55.300 -0.033 0.000 1.102 460 M CB -1.659 30.952 32.600 0.018 0.000 1.369 460 M HN 0.641 nan 8.290 nan 0.000 0.408 461 S N 0.422 116.099 115.700 -0.038 0.000 2.402 461 S HA -0.118 4.352 4.470 0.001 0.000 0.229 461 S C 1.909 176.507 174.600 -0.003 0.000 1.021 461 S CA 0.959 59.150 58.200 -0.015 0.000 0.974 461 S CB -0.921 62.270 63.200 -0.016 0.000 0.800 461 S HN 0.411 nan 8.310 nan 0.000 0.484 462 L N 2.247 123.444 121.223 -0.043 0.000 2.046 462 L HA 0.156 4.496 4.340 0.001 0.000 0.208 462 L C 2.608 179.438 176.870 -0.067 0.000 1.077 462 L CA 1.676 56.490 54.840 -0.044 0.000 0.747 462 L CB -1.292 40.703 42.059 -0.106 0.000 0.896 462 L HN 0.337 nan 8.230 nan 0.000 0.432 463 A N -1.295 121.456 122.820 -0.116 0.000 1.898 463 A HA -0.159 4.162 4.320 0.001 0.000 0.216 463 A C 2.334 179.764 177.584 -0.256 0.000 1.181 463 A CA 1.824 53.718 52.037 -0.239 0.000 0.620 463 A CB -0.929 18.033 19.000 -0.063 0.000 0.819 463 A HN 0.551 nan 8.150 nan 0.000 0.442 464 S N -0.791 114.851 115.700 -0.097 0.000 2.383 464 S HA -0.164 4.307 4.470 0.001 0.000 0.229 464 S C 1.654 176.218 174.600 -0.060 0.000 1.030 464 S CA 1.488 59.653 58.200 -0.058 0.000 1.002 464 S CB -0.549 62.646 63.200 -0.007 0.000 0.829 464 S HN 0.656 nan 8.310 nan 0.000 0.467 465 F N 2.749 122.608 119.950 -0.151 0.000 2.146 465 F HA 0.037 4.565 4.527 0.001 0.000 0.298 465 F C 2.260 177.984 175.800 -0.127 0.000 1.096 465 F CA 1.190 59.128 58.000 -0.105 0.000 1.275 465 F CB -0.947 37.993 39.000 -0.100 0.000 1.008 465 F HN 0.200 nan 8.300 nan 0.000 0.480 466 G N 0.515 109.098 108.800 -0.362 0.000 2.421 466 G HA2 -0.310 3.651 3.960 0.001 0.000 0.216 466 G HA3 -0.310 3.651 3.960 0.001 0.000 0.216 466 G C 1.614 176.387 174.900 -0.213 0.000 1.171 466 G CA 0.922 45.661 45.100 -0.602 0.000 0.775 466 G HN 0.339 nan 8.290 nan 0.000 0.543 467 N N 0.451 119.012 118.700 -0.232 0.000 2.043 467 N HA -0.086 4.655 4.740 0.001 0.000 0.193 467 N C 2.290 177.806 175.510 0.010 0.000 1.037 467 N CA 0.854 53.943 53.050 0.065 0.000 0.851 467 N CB -0.370 38.128 38.487 0.018 0.000 1.027 467 N HN 0.271 nan 8.380 nan 0.000 0.422 468 R N -0.212 120.180 120.500 -0.180 0.000 2.094 468 R HA -0.204 4.137 4.340 0.001 0.000 0.239 468 R C 2.146 178.086 176.300 -0.600 0.000 1.137 468 R CA 1.506 57.359 56.100 -0.412 0.000 0.943 468 R CB -0.603 29.471 30.300 -0.377 0.000 0.850 468 R HN 0.296 nan 8.270 nan 0.000 0.433 469 Y N 0.471 120.461 120.300 -0.517 0.000 2.002 469 Y HA -0.352 4.198 4.550 0.001 0.000 0.268 469 Y C 2.019 177.864 175.900 -0.093 0.000 1.177 469 Y CA 2.108 60.025 58.100 -0.304 0.000 1.111 469 Y CB -0.881 37.374 38.460 -0.341 0.000 0.952 469 Y HN 0.009 nan 8.280 nan 0.000 0.491 470 F N 0.947 120.911 119.950 0.023 0.000 2.065 470 F HA -0.291 4.236 4.527 0.001 0.000 0.298 470 F C 2.373 178.191 175.800 0.030 0.000 1.112 470 F CA 2.272 60.310 58.000 0.064 0.000 1.212 470 F CB -0.680 38.508 39.000 0.313 0.000 0.975 470 F HN 0.137 nan 8.300 nan 0.000 0.476 471 D N -1.124 119.422 120.400 0.243 0.000 2.149 471 D HA -0.209 4.431 4.640 0.001 0.000 0.194 471 D C 0.891 177.266 176.300 0.125 0.000 1.001 471 D CA 1.759 55.887 54.000 0.214 0.000 0.849 471 D CB -0.736 40.081 40.800 0.028 0.000 0.939 471 D HN 0.569 nan 8.370 nan 0.000 0.449 472 H N -1.982 117.067 119.070 -0.036 0.000 2.351 472 H HA 0.602 5.158 4.556 0.001 0.000 0.232 472 H C 0.309 175.458 175.328 -0.298 0.000 1.452 472 H CA -0.437 55.532 56.048 -0.131 0.000 1.236 472 H CB 0.731 30.442 29.762 -0.085 0.000 1.579 472 H HN -0.164 nan 8.280 nan 0.000 0.535 473 K N 1.000 121.238 120.400 -0.270 0.000 2.570 473 K HA 0.005 4.325 4.320 0.001 0.000 0.201 473 K C -0.088 176.141 176.600 -0.618 0.000 1.730 473 K CA 0.031 56.029 56.287 -0.483 0.000 1.034 473 K CB 0.607 32.650 32.500 -0.762 0.000 1.471 473 K HN 0.461 nan 8.250 nan 0.000 0.608 474 Q N 0.780 120.117 119.800 -0.772 0.000 2.394 474 Q HA -0.197 4.143 4.340 0.001 0.000 0.369 474 Q C -2.080 173.069 176.000 -1.418 0.000 1.312 474 Q CA 0.316 55.164 55.803 -1.593 0.000 1.155 474 Q CB -0.765 27.234 28.738 -1.231 0.000 1.311 474 Q HN 0.178 nan 8.270 nan 0.000 0.315 475 P HA -0.213 nan 4.420 nan 0.000 0.216 475 P C 0.888 177.744 177.300 -0.740 0.000 1.150 475 P CA 1.796 64.403 63.100 -0.821 0.000 0.843 475 P CB -0.166 31.036 31.700 -0.830 0.000 0.787 476 W N -0.667 120.353 121.300 -0.465 0.000 2.421 476 W HA 0.017 4.677 4.660 0.001 0.000 0.270 476 W C 1.752 178.217 176.519 -0.090 0.000 1.233 476 W CA 0.847 58.069 57.345 -0.206 0.000 1.226 476 W CB -1.056 28.421 29.460 0.029 0.000 1.121 476 W HN -0.195 nan 8.180 nan 0.000 0.579 477 K N 0.869 120.935 120.400 -0.556 0.000 2.102 477 K HA -0.006 4.314 4.320 0.001 0.000 0.206 477 K C 1.926 178.374 176.600 -0.253 0.000 1.031 477 K CA 1.865 57.968 56.287 -0.306 0.000 0.962 477 K CB -1.056 31.193 32.500 -0.420 0.000 0.811 477 K HN 0.026 nan 8.250 nan 0.000 0.453 478 T N 1.681 116.016 114.554 -0.364 0.000 2.792 478 T HA -0.181 4.170 4.350 0.001 0.000 0.268 478 T C 1.605 176.187 174.700 -0.196 0.000 1.059 478 T CA 1.525 63.462 62.100 -0.272 0.000 1.136 478 T CB -0.255 68.415 68.868 -0.330 0.000 0.846 478 T HN 0.419 nan 8.240 nan 0.000 0.489 479 A N 0.643 123.331 122.820 -0.220 0.000 2.119 479 A HA 0.008 4.329 4.320 0.001 0.000 0.217 479 A C 2.052 179.647 177.584 0.019 0.000 1.153 479 A CA 0.917 52.881 52.037 -0.122 0.000 0.692 479 A CB -0.026 18.809 19.000 -0.273 0.000 0.799 479 A HN 0.188 nan 8.150 nan 0.000 0.458 480 K N -0.666 119.739 120.400 0.009 0.000 2.387 480 K HA 0.261 4.582 4.320 0.001 0.000 0.198 480 K C 1.260 177.857 176.600 -0.005 0.000 1.022 480 K CA 0.956 57.261 56.287 0.029 0.000 1.128 480 K CB 0.446 32.975 32.500 0.048 0.000 0.853 480 K HN 0.672 nan 8.250 nan 0.000 0.523 481 E N 0.532 120.712 120.200 -0.032 0.000 3.454 481 E HA -0.008 4.343 4.350 0.001 0.000 0.208 481 E C -0.332 176.244 176.600 -0.039 0.000 1.153 481 E CA 0.035 56.413 56.400 -0.037 0.000 1.553 481 E CB 0.130 29.798 29.700 -0.053 0.000 1.423 481 E HN 0.085 nan 8.360 nan 0.000 0.662 482 D N 0.047 120.414 120.400 -0.054 0.000 2.438 482 D HA 0.443 5.084 4.640 0.001 0.000 0.257 482 D C 1.056 177.338 176.300 -0.031 0.000 1.148 482 D CA 0.617 54.591 54.000 -0.043 0.000 0.902 482 D CB 0.980 41.746 40.800 -0.056 0.000 1.062 482 D HN 0.306 nan 8.370 nan 0.000 0.518 483 K N 1.768 122.163 120.400 -0.008 0.000 2.000 483 K HA -0.167 4.154 4.320 0.001 0.000 0.218 483 K C 2.061 178.710 176.600 0.082 0.000 1.053 483 K CA 2.228 58.530 56.287 0.026 0.000 0.946 483 K CB -1.414 31.093 32.500 0.012 0.000 0.723 483 K HN 0.337 nan 8.250 nan 0.000 0.446 484 V N 1.228 121.178 119.914 0.060 0.000 2.313 484 V HA -0.354 3.766 4.120 0.001 0.000 0.253 484 V C 2.688 178.800 176.094 0.031 0.000 1.070 484 V CA 2.570 64.906 62.300 0.059 0.000 1.057 484 V CB -0.685 31.155 31.823 0.028 0.000 0.653 484 V HN 0.700 nan 8.190 nan 0.000 0.450 485 R N 0.883 121.379 120.500 -0.007 0.000 2.075 485 R HA -0.140 4.200 4.340 0.001 0.000 0.230 485 R C 2.405 178.664 176.300 -0.069 0.000 1.140 485 R CA 2.586 58.655 56.100 -0.051 0.000 0.928 485 R CB -1.569 28.680 30.300 -0.086 0.000 0.834 485 R HN 0.538 nan 8.270 nan 0.000 0.429 486 T N -0.233 114.282 114.554 -0.065 0.000 2.699 486 T HA -0.153 4.197 4.350 0.001 0.000 0.268 486 T C 1.756 176.445 174.700 -0.017 0.000 1.036 486 T CA 1.591 63.639 62.100 -0.086 0.000 1.147 486 T CB -0.911 67.927 68.868 -0.049 0.000 0.862 486 T HN 0.586 nan 8.240 nan 0.000 0.446 487 G N 1.146 110.005 108.800 0.099 0.000 2.469 487 G HA2 -0.262 3.699 3.960 0.001 0.000 0.219 487 G HA3 -0.262 3.699 3.960 0.001 0.000 0.219 487 G C 1.712 176.532 174.900 -0.133 0.000 1.150 487 G CA 1.582 46.639 45.100 -0.071 0.000 0.763 487 G HN 0.473 nan 8.290 nan 0.000 0.561 488 T N 1.018 115.537 114.554 -0.058 0.000 2.643 488 T HA -0.125 4.225 4.350 0.001 0.000 0.264 488 T C 2.647 177.336 174.700 -0.017 0.000 1.045 488 T CA 1.903 63.983 62.100 -0.032 0.000 1.155 488 T CB -0.789 68.073 68.868 -0.011 0.000 0.863 488 T HN 0.315 nan 8.240 nan 0.000 0.420 489 T N 2.198 116.719 114.554 -0.055 0.000 2.592 489 T HA -0.164 4.187 4.350 0.001 0.000 0.267 489 T C 2.136 176.816 174.700 -0.032 0.000 1.060 489 T CA 1.555 63.618 62.100 -0.062 0.000 1.167 489 T CB -0.885 67.782 68.868 -0.335 0.000 0.863 489 T HN 0.123 nan 8.240 nan 0.000 0.431 490 V N 2.831 122.677 119.914 -0.114 0.000 2.233 490 V HA -0.241 3.880 4.120 0.001 0.000 0.247 490 V C 2.653 178.737 176.094 -0.017 0.000 1.050 490 V CA 2.016 64.285 62.300 -0.051 0.000 1.010 490 V CB -0.765 30.951 31.823 -0.180 0.000 0.637 490 V HN 0.570 nan 8.190 nan 0.000 0.444 491 N N 0.481 119.129 118.700 -0.086 0.000 2.061 491 N HA -0.207 4.533 4.740 0.001 0.000 0.193 491 N C 1.794 177.325 175.510 0.035 0.000 1.030 491 N CA 2.104 55.130 53.050 -0.040 0.000 0.856 491 N CB -0.231 38.222 38.487 -0.056 0.000 1.023 491 N HN 0.351 nan 8.380 nan 0.000 0.424 492 I N 1.573 122.170 120.570 0.045 0.000 2.163 492 I HA -0.248 3.923 4.170 0.001 0.000 0.243 492 I C 2.615 178.774 176.117 0.070 0.000 1.085 492 I CA 1.503 62.824 61.300 0.035 0.000 1.347 492 I CB -1.702 36.298 38.000 -0.000 0.000 1.044 492 I HN 0.304 nan 8.210 nan 0.000 0.408 493 S N 1.275 117.077 115.700 0.169 0.000 2.383 493 S HA -0.162 4.308 4.470 0.001 0.000 0.229 493 S C 2.063 176.843 174.600 0.299 0.000 1.030 493 S CA 1.111 59.530 58.200 0.366 0.000 1.002 493 S CB -0.961 62.604 63.200 0.609 0.000 0.829 493 S HN 0.464 nan 8.310 nan 0.000 0.467 494 L N 0.642 121.976 121.223 0.186 0.000 2.109 494 L HA -0.055 4.286 4.340 0.001 0.000 0.207 494 L C 3.097 180.083 176.870 0.193 0.000 1.086 494 L CA 0.911 55.837 54.840 0.143 0.000 0.760 494 L CB -0.663 41.452 42.059 0.093 0.000 0.910 494 L HN 0.292 nan 8.230 nan 0.000 0.437 495 Q N 0.375 120.296 119.800 0.202 0.000 2.096 495 Q HA -0.183 4.158 4.340 0.001 0.000 0.204 495 Q C 2.256 178.407 176.000 0.252 0.000 0.982 495 Q CA 1.677 57.660 55.803 0.300 0.000 0.850 495 Q CB -0.363 28.524 28.738 0.248 0.000 0.901 495 Q HN 0.582 nan 8.270 nan 0.000 0.422 496 I N -0.146 120.553 120.570 0.215 0.000 2.394 496 I HA -0.190 3.981 4.170 0.001 0.000 0.251 496 I C 2.192 178.509 176.117 0.335 0.000 1.136 496 I CA 0.507 61.942 61.300 0.224 0.000 1.425 496 I CB -0.193 38.005 38.000 0.329 0.000 1.079 496 I HN -0.038 nan 8.210 nan 0.000 0.425 497 V N 1.123 121.253 119.914 0.361 0.000 2.379 497 V HA -0.257 3.864 4.120 0.001 0.000 0.245 497 V C 2.534 178.801 176.094 0.289 0.000 1.044 497 V CA 1.844 64.328 62.300 0.306 0.000 1.036 497 V CB -0.580 31.322 31.823 0.133 0.000 0.664 497 V HN 0.403 nan 8.190 nan 0.000 0.453 498 K N 0.634 121.218 120.400 0.306 0.000 2.097 498 K HA -0.155 4.165 4.320 0.001 0.000 0.206 498 K C 2.093 179.035 176.600 0.570 0.000 1.049 498 K CA 1.619 58.144 56.287 0.397 0.000 0.933 498 K CB -0.336 32.373 32.500 0.347 0.000 0.717 498 K HN 0.408 nan 8.250 nan 0.000 0.442 499 A N 0.729 123.816 122.820 0.445 0.000 1.898 499 A HA -0.085 4.235 4.320 0.001 0.000 0.216 499 A C 1.951 179.596 177.584 0.101 0.000 1.181 499 A CA 1.007 53.213 52.037 0.281 0.000 0.620 499 A CB -0.521 18.390 19.000 -0.149 0.000 0.819 499 A HN 0.318 nan 8.150 nan 0.000 0.442 500 L N 0.138 121.434 121.223 0.121 0.000 2.265 500 L HA -0.027 4.314 4.340 0.001 0.000 0.215 500 L C 2.404 179.357 176.870 0.138 0.000 1.117 500 L CA 1.503 56.393 54.840 0.083 0.000 0.782 500 L CB -0.934 41.230 42.059 0.176 0.000 0.914 500 L HN 0.382 nan 8.230 nan 0.000 0.441 501 G N -0.998 107.960 108.800 0.263 0.000 2.403 501 G HA2 -0.159 3.801 3.960 0.001 0.000 0.216 501 G HA3 -0.159 3.801 3.960 0.001 0.000 0.216 501 G C 1.616 176.594 174.900 0.131 0.000 1.154 501 G CA 0.769 46.065 45.100 0.326 0.000 0.784 501 G HN 0.410 nan 8.290 nan 0.000 0.538 502 I N -0.212 120.420 120.570 0.102 0.000 2.339 502 I HA 0.043 4.214 4.170 0.001 0.000 0.245 502 I C 2.393 178.422 176.117 -0.146 0.000 1.096 502 I CA 0.045 61.305 61.300 -0.067 0.000 1.408 502 I CB -0.131 37.896 38.000 0.044 0.000 1.092 502 I HN 0.003 nan 8.210 nan 0.000 0.423 503 L N 0.197 121.210 121.223 -0.350 0.000 2.042 503 L HA -0.228 4.112 4.340 0.001 0.000 0.210 503 L C 2.361 179.310 176.870 0.132 0.000 1.076 503 L CA 1.789 56.434 54.840 -0.325 0.000 0.749 503 L CB -1.005 40.774 42.059 -0.467 0.000 0.893 503 L HN 0.180 nan 8.230 nan 0.000 0.432 504 L N -0.575 120.714 121.223 0.110 0.000 2.017 504 L HA -0.210 4.131 4.340 0.001 0.000 0.208 504 L C 2.537 179.612 176.870 0.342 0.000 1.073 504 L CA 1.753 56.730 54.840 0.229 0.000 0.745 504 L CB -0.902 41.263 42.059 0.176 0.000 0.894 504 L HN 0.406 nan 8.230 nan 0.000 0.432 505 E N 0.226 120.551 120.200 0.208 0.000 2.240 505 E HA -0.286 4.065 4.350 0.001 0.000 0.236 505 E C -0.599 176.103 176.600 0.171 0.000 1.085 505 E CA 2.865 59.356 56.400 0.152 0.000 0.979 505 E CB -1.720 28.026 29.700 0.077 0.000 0.845 505 E HN 0.299 nan 8.360 nan 0.000 0.483 506 P HA -0.138 nan 4.420 nan 0.000 0.217 506 P C 0.885 178.068 177.300 -0.196 0.000 1.148 506 P CA 1.839 64.905 63.100 -0.055 0.000 0.828 506 P CB -0.150 31.461 31.700 -0.149 0.000 0.783 507 F N -1.903 118.107 119.950 0.099 0.000 2.315 507 F HA 0.188 4.715 4.527 0.001 0.000 0.284 507 F C 1.242 177.104 175.800 0.103 0.000 1.049 507 F CA 0.512 58.566 58.000 0.090 0.000 1.323 507 F CB -0.514 38.556 39.000 0.116 0.000 1.113 507 F HN -0.330 nan 8.300 nan 0.000 0.544 508 L N 0.935 122.364 121.223 0.343 0.000 2.433 508 L HA 0.315 4.656 4.340 0.001 0.000 0.256 508 L C -2.123 174.860 176.870 0.189 0.000 1.063 508 L CA -1.582 53.409 54.840 0.251 0.000 0.922 508 L CB 1.366 43.585 42.059 0.268 0.000 1.238 508 L HN -0.169 nan 8.230 nan 0.000 0.466 509 P HA -0.179 nan 4.420 nan 0.000 0.216 509 P C 0.831 178.178 177.300 0.078 0.000 1.153 509 P CA 1.332 64.481 63.100 0.082 0.000 0.858 509 P CB 0.367 32.100 31.700 0.055 0.000 0.789 510 D N -0.925 119.538 120.400 0.104 0.000 2.123 510 D HA -0.064 4.577 4.640 0.001 0.000 0.200 510 D C 1.922 178.291 176.300 0.115 0.000 0.976 510 D CA 1.389 55.446 54.000 0.094 0.000 0.831 510 D CB -0.645 40.222 40.800 0.111 0.000 0.974 510 D HN 0.079 nan 8.370 nan 0.000 0.469 511 A N 0.448 123.394 122.820 0.210 0.000 2.119 511 A HA -0.073 4.247 4.320 0.001 0.000 0.217 511 A C 2.258 179.946 177.584 0.173 0.000 1.153 511 A CA 1.384 53.583 52.037 0.270 0.000 0.692 511 A CB -0.232 19.084 19.000 0.525 0.000 0.799 511 A HN 0.175 nan 8.150 nan 0.000 0.458 512 S N -0.599 115.182 115.700 0.134 0.000 2.362 512 S HA -0.119 4.351 4.470 0.001 0.000 0.221 512 S C 1.972 176.604 174.600 0.053 0.000 1.032 512 S CA 1.486 59.742 58.200 0.093 0.000 0.973 512 S CB -0.197 63.032 63.200 0.048 0.000 0.849 512 S HN 0.562 nan 8.310 nan 0.000 0.465 513 E N 1.191 121.379 120.200 -0.021 0.000 2.152 513 E HA 0.011 4.361 4.350 0.001 0.000 0.192 513 E C 1.996 178.415 176.600 -0.303 0.000 0.983 513 E CA 0.993 57.311 56.400 -0.137 0.000 0.818 513 E CB -0.136 29.459 29.700 -0.175 0.000 0.758 513 E HN 0.485 nan 8.360 nan 0.000 0.467 514 K N -0.028 120.282 120.400 -0.149 0.000 2.026 514 K HA -0.098 4.222 4.320 0.001 0.000 0.208 514 K C 2.023 178.626 176.600 0.005 0.000 1.048 514 K CA 1.523 57.742 56.287 -0.113 0.000 0.929 514 K CB -0.173 32.299 32.500 -0.047 0.000 0.713 514 K HN 0.175 nan 8.250 nan 0.000 0.439 515 I N -0.299 120.325 120.570 0.090 0.000 2.286 515 I HA -0.295 3.876 4.170 0.001 0.000 0.248 515 I C 2.190 178.480 176.117 0.288 0.000 1.115 515 I CA 1.000 62.403 61.300 0.172 0.000 1.392 515 I CB -0.245 37.887 38.000 0.220 0.000 1.065 515 I HN 0.474 nan 8.210 nan 0.000 0.418 516 W N 1.230 122.562 121.300 0.053 0.000 2.374 516 W HA -0.197 4.464 4.660 0.001 0.000 0.288 516 W C 2.528 179.186 176.519 0.231 0.000 1.218 516 W CA 1.456 58.879 57.345 0.131 0.000 1.245 516 W CB -0.226 29.316 29.460 0.135 0.000 1.126 516 W HN 0.342 nan 8.180 nan 0.000 0.545 517 H N -0.503 118.710 119.070 0.238 0.000 2.363 517 H HA -0.117 4.439 4.556 0.001 0.000 0.301 517 H C 2.442 177.801 175.328 0.051 0.000 1.074 517 H CA 1.091 57.211 56.048 0.119 0.000 1.354 517 H CB -0.327 29.501 29.762 0.110 0.000 1.397 517 H HN 0.084 nan 8.280 nan 0.000 0.516 518 L N 0.303 121.635 121.223 0.181 0.000 2.042 518 L HA -0.210 4.130 4.340 0.001 0.000 0.210 518 L C 1.870 178.768 176.870 0.046 0.000 1.076 518 L CA 0.661 55.552 54.840 0.085 0.000 0.749 518 L CB -0.139 41.953 42.059 0.056 0.000 0.893 518 L HN 0.233 nan 8.230 nan 0.000 0.432 519 L N -0.405 120.840 121.223 0.037 0.000 2.552 519 L HA -0.013 4.327 4.340 0.001 0.000 0.227 519 L C 1.031 177.904 176.870 0.004 0.000 1.146 519 L CA 0.665 55.503 54.840 -0.004 0.000 0.858 519 L CB -1.133 40.865 42.059 -0.101 0.000 0.969 519 L HN 0.385 nan 8.230 nan 0.000 0.451 520 N N 0.840 119.538 118.700 -0.004 0.000 2.681 520 N HA -0.224 4.517 4.740 0.001 0.000 0.259 520 N C -0.926 174.573 175.510 -0.018 0.000 1.066 520 N CA 0.342 53.384 53.050 -0.012 0.000 0.717 520 N CB -0.929 37.514 38.487 -0.073 0.000 0.885 520 N HN 0.251 nan 8.380 nan 0.000 0.547 521 L N 0.903 122.026 121.223 -0.167 0.000 2.346 521 L HA 0.440 4.780 4.340 0.001 0.000 0.274 521 L C 1.065 177.922 176.870 -0.022 0.000 1.007 521 L CA -0.997 53.668 54.840 -0.291 0.000 0.818 521 L CB 1.527 42.967 42.059 -1.031 0.000 1.284 521 L HN 0.016 nan 8.230 nan 0.000 0.424 522 D N -0.016 120.420 120.400 0.060 0.000 2.394 522 D HA -0.013 4.628 4.640 0.001 0.000 0.226 522 D C 0.128 176.583 176.300 0.259 0.000 0.990 522 D CA 0.156 54.254 54.000 0.163 0.000 0.902 522 D CB 0.278 41.136 40.800 0.097 0.000 1.038 522 D HN 0.534 nan 8.370 nan 0.000 0.499 523 E N 1.508 121.830 120.200 0.203 0.000 3.311 523 E HA -0.090 4.261 4.350 0.001 0.000 0.264 523 E C -0.267 176.582 176.600 0.414 0.000 0.875 523 E CA 0.069 56.625 56.400 0.260 0.000 0.969 523 E CB 0.801 30.631 29.700 0.216 0.000 0.910 523 E HN -0.102 nan 8.360 nan 0.000 0.548 524 V N 5.296 125.354 119.914 0.240 0.000 2.493 524 V HA -0.091 4.029 4.120 0.001 0.000 0.292 524 V C 0.518 176.707 176.094 0.158 0.000 1.016 524 V CA 0.463 62.866 62.300 0.172 0.000 1.097 524 V CB 0.406 32.293 31.823 0.107 0.000 0.947 524 V HN 0.545 nan 8.190 nan 0.000 0.479 525 K N 7.143 127.553 120.400 0.016 0.000 2.472 525 K HA 0.201 4.521 4.320 0.001 0.000 0.280 525 K C 0.207 176.824 176.600 0.029 0.000 1.028 525 K CA 0.348 56.562 56.287 -0.121 0.000 1.045 525 K CB 0.219 32.479 32.500 -0.401 0.000 0.902 525 K HN 0.728 nan 8.250 nan 0.000 0.478 526 R N 1.798 122.367 120.500 0.115 0.000 2.739 526 R HA 0.190 4.530 4.340 0.001 0.000 0.271 526 R C -0.104 176.373 176.300 0.295 0.000 1.010 526 R CA -1.074 55.135 56.100 0.183 0.000 0.897 526 R CB 0.419 30.803 30.300 0.140 0.000 1.236 526 R HN 0.626 nan 8.270 nan 0.000 0.466 527 W N 1.848 123.233 121.300 0.142 0.000 2.595 527 W HA -0.026 4.635 4.660 0.001 0.000 0.257 527 W C -0.288 176.383 176.519 0.253 0.000 1.267 527 W CA 0.900 58.423 57.345 0.296 0.000 1.300 527 W CB 0.578 30.146 29.460 0.179 0.000 1.120 527 W HN 0.591 nan 8.180 nan 0.000 0.618 528 E N 1.244 121.562 120.200 0.197 0.000 2.052 528 E HA 0.009 4.360 4.350 0.001 0.000 0.283 528 E C -0.859 175.692 176.600 -0.081 0.000 1.071 528 E CA -0.518 55.897 56.400 0.025 0.000 0.851 528 E CB -0.101 29.626 29.700 0.046 0.000 1.066 528 E HN -0.079 nan 8.360 nan 0.000 0.396 529 F N 3.347 122.992 119.950 -0.508 0.000 2.518 529 F HA 0.199 4.726 4.527 0.001 0.000 0.359 529 F C 0.156 175.820 175.800 -0.227 0.000 1.118 529 F CA 0.028 57.747 58.000 -0.469 0.000 1.287 529 F CB 0.615 39.085 39.000 -0.884 0.000 1.132 529 F HN 0.315 nan 8.300 nan 0.000 0.587 530 R N 4.565 124.386 120.500 -1.132 0.000 2.533 530 R HA 0.204 4.544 4.340 0.001 0.000 0.288 530 R C -0.885 174.726 176.300 -1.148 0.000 1.039 530 R CA -0.963 54.657 56.100 -0.802 0.000 0.909 530 R CB 1.771 31.825 30.300 -0.410 0.000 1.195 530 R HN 0.763 nan 8.270 nan 0.000 0.438 531 E N 2.555 122.335 120.200 -0.700 0.000 2.442 531 E HA -0.005 4.345 4.350 0.001 0.000 0.260 531 E C -0.603 175.816 176.600 -0.303 0.000 1.148 531 E CA -0.557 55.612 56.400 -0.386 0.000 0.976 531 E CB 0.621 30.268 29.700 -0.088 0.000 0.967 531 E HN 0.134 nan 8.360 nan 0.000 0.454 532 L N 2.731 123.855 121.223 -0.166 0.000 2.319 532 L HA 0.288 4.629 4.340 0.001 0.000 0.280 532 L C -2.271 174.522 176.870 -0.129 0.000 1.099 532 L CA -1.885 52.844 54.840 -0.185 0.000 0.828 532 L CB 0.589 42.599 42.059 -0.082 0.000 1.150 532 L HN 0.552 nan 8.230 nan 0.000 0.442 533 P HA 0.241 nan 4.420 nan 0.000 0.274 533 P C -1.160 176.136 177.300 -0.008 0.000 1.231 533 P CA -0.477 62.577 63.100 -0.077 0.000 0.790 533 P CB 0.669 32.317 31.700 -0.086 0.000 0.951 534 A N 1.990 124.809 122.820 -0.003 0.000 2.425 534 A HA 0.490 4.810 4.320 0.001 0.000 0.249 534 A C 1.364 178.971 177.584 0.038 0.000 1.084 534 A CA 0.585 52.630 52.037 0.013 0.000 0.781 534 A CB -1.165 17.837 19.000 0.004 0.000 1.019 534 A HN 0.858 nan 8.150 nan 0.000 0.490 535 G N 0.336 109.167 108.800 0.051 0.000 2.175 535 G HA2 -0.213 3.748 3.960 0.001 0.000 0.244 535 G HA3 -0.213 3.748 3.960 0.001 0.000 0.244 535 G C 0.243 175.187 174.900 0.074 0.000 0.982 535 G CA 0.404 45.538 45.100 0.055 0.000 0.641 535 G HN 1.282 nan 8.290 nan 0.000 0.527 536 H N 1.720 120.777 119.070 -0.021 0.000 2.683 536 H HA 0.412 4.968 4.556 0.001 0.000 0.339 536 H C 0.185 175.500 175.328 -0.021 0.000 1.081 536 H CA 0.158 56.187 56.048 -0.031 0.000 1.432 536 H CB 0.719 30.449 29.762 -0.054 0.000 1.462 536 H HN 0.228 nan 8.280 nan 0.000 0.557 537 K N 5.382 125.454 120.400 -0.546 0.000 2.267 537 K HA 0.225 4.545 4.320 0.001 0.000 0.282 537 K C -0.702 175.622 176.600 -0.460 0.000 1.078 537 K CA -0.636 55.425 56.287 -0.376 0.000 0.903 537 K CB 1.169 33.534 32.500 -0.224 0.000 1.111 537 K HN 0.129 nan 8.250 nan 0.000 0.475 538 V N 3.853 123.626 119.914 -0.234 0.000 2.837 538 V HA 0.312 4.432 4.120 0.001 0.000 0.310 538 V C 0.772 176.824 176.094 -0.071 0.000 1.059 538 V CA -0.879 61.342 62.300 -0.131 0.000 1.004 538 V CB 1.365 33.165 31.823 -0.038 0.000 1.045 538 V HN 0.722 nan 8.190 nan 0.000 0.465 539 R N 1.957 122.433 120.500 -0.040 0.000 2.583 539 R HA 0.374 4.714 4.340 0.001 0.000 0.268 539 R C -0.333 175.965 176.300 -0.003 0.000 1.101 539 R CA -0.761 55.328 56.100 -0.018 0.000 1.180 539 R CB 0.626 30.927 30.300 0.002 0.000 1.128 539 R HN 0.559 nan 8.270 nan 0.000 0.568 540 K N 1.714 122.114 120.400 0.000 0.000 2.326 540 K HA 0.129 4.449 4.320 0.001 0.000 0.275 540 K C -2.233 174.373 176.600 0.010 0.000 1.018 540 K CA -1.394 54.895 56.287 0.003 0.000 0.962 540 K CB 0.158 32.658 32.500 0.001 0.000 0.953 540 K HN 0.252 nan 8.250 nan 0.000 0.475 541 P HA -0.087 nan 4.420 nan 0.000 0.256 541 P C -0.583 176.756 177.300 0.066 0.000 1.173 541 P CA 0.484 63.609 63.100 0.041 0.000 0.768 541 P CB 0.570 32.268 31.700 -0.002 0.000 0.758 542 E N 3.233 123.459 120.200 0.044 0.000 2.819 542 E HA 0.670 5.020 4.350 0.001 0.000 0.241 542 E C -0.823 175.707 176.600 -0.116 0.000 0.987 542 E CA -0.754 55.633 56.400 -0.021 0.000 1.024 542 E CB 0.490 30.174 29.700 -0.026 0.000 1.448 542 E HN 0.199 nan 8.360 nan 0.000 0.484 543 I N 0.702 121.160 120.570 -0.186 0.000 2.646 543 I HA 0.261 4.431 4.170 0.001 0.000 0.299 543 I C -0.087 175.853 176.117 -0.296 0.000 1.036 543 I CA -0.236 60.874 61.300 -0.317 0.000 1.074 543 I CB 1.567 39.409 38.000 -0.263 0.000 1.258 543 I HN 0.634 nan 8.210 nan 0.000 0.430 544 L N 4.710 125.672 121.223 -0.436 0.000 2.200 544 L HA 0.338 4.678 4.340 0.001 0.000 0.200 544 L C -0.498 175.881 176.870 -0.817 0.000 1.072 544 L CA 0.534 54.907 54.840 -0.778 0.000 0.787 544 L CB 0.129 41.461 42.059 -1.212 0.000 0.957 544 L HN 0.404 nan 8.230 nan 0.000 0.459 545 F N -0.999 118.958 119.950 0.011 0.000 2.578 545 F HA 0.424 4.951 4.527 0.001 0.000 0.311 545 F C -0.304 175.532 175.800 0.061 0.000 1.094 545 F CA -1.124 56.932 58.000 0.093 0.000 0.923 545 F CB 1.581 40.642 39.000 0.102 0.000 1.230 545 F HN -0.385 nan 8.300 nan 0.000 0.450 546 K N 2.314 122.909 120.400 0.326 0.000 2.185 546 K HA 0.319 4.639 4.320 0.001 0.000 0.269 546 K C -0.565 176.167 176.600 0.219 0.000 0.987 546 K CA -0.626 55.772 56.287 0.184 0.000 0.865 546 K CB 1.015 33.589 32.500 0.124 0.000 1.090 546 K HN 0.436 nan 8.250 nan 0.000 0.450 547 K N 1.939 122.402 120.400 0.105 0.000 2.489 547 K HA 0.036 4.356 4.320 0.001 0.000 0.278 547 K C -0.336 176.325 176.600 0.102 0.000 1.000 547 K CA -0.122 56.196 56.287 0.051 0.000 1.012 547 K CB 0.490 32.994 32.500 0.006 0.000 0.903 547 K HN 0.314 nan 8.250 nan 0.000 0.485 548 V N 3.268 123.225 119.914 0.072 0.000 2.763 548 V HA -0.021 4.099 4.120 0.001 0.000 0.306 548 V C 0.588 176.761 176.094 0.132 0.000 1.059 548 V CA 0.364 62.772 62.300 0.179 0.000 1.138 548 V CB 1.208 33.066 31.823 0.058 0.000 0.940 548 V HN 0.799 nan 8.190 nan 0.000 0.489 549 T N 2.668 117.331 114.554 0.182 0.000 2.950 549 T HA 0.279 4.629 4.350 0.001 0.000 0.288 549 T C 0.754 175.532 174.700 0.130 0.000 1.035 549 T CA -0.543 61.625 62.100 0.113 0.000 1.028 549 T CB 1.474 70.379 68.868 0.062 0.000 1.109 549 T HN 0.738 nan 8.240 nan 0.000 0.514 550 D N 0.651 121.094 120.400 0.072 0.000 2.234 550 D HA -0.064 4.576 4.640 0.001 0.000 0.205 550 D C 0.989 177.235 176.300 -0.090 0.000 0.962 550 D CA 0.941 54.953 54.000 0.020 0.000 0.855 550 D CB 0.149 40.946 40.800 -0.005 0.000 0.951 550 D HN 0.501 nan 8.370 nan 0.000 0.500 551 D N 1.027 121.397 120.400 -0.050 0.000 2.144 551 D HA -0.122 4.518 4.640 0.001 0.000 0.199 551 D C 2.208 178.512 176.300 0.007 0.000 0.984 551 D CA 0.958 54.923 54.000 -0.058 0.000 0.834 551 D CB 0.127 40.890 40.800 -0.062 0.000 0.955 551 D HN 0.255 nan 8.370 nan 0.000 0.465 552 Q N -0.178 119.655 119.800 0.055 0.000 2.020 552 Q HA -0.054 4.287 4.340 0.001 0.000 0.198 552 Q C 2.415 178.559 176.000 0.240 0.000 0.974 552 Q CA 0.759 56.621 55.803 0.098 0.000 0.829 552 Q CB -0.031 28.760 28.738 0.088 0.000 0.894 552 Q HN 0.363 nan 8.270 nan 0.000 0.433 553 I N 0.927 121.668 120.570 0.285 0.000 2.151 553 I HA -0.316 3.855 4.170 0.001 0.000 0.243 553 I C 2.347 178.549 176.117 0.140 0.000 1.080 553 I CA 1.300 62.745 61.300 0.242 0.000 1.339 553 I CB -0.427 37.701 38.000 0.214 0.000 1.039 553 I HN 0.211 nan 8.210 nan 0.000 0.409 554 I N -0.148 120.455 120.570 0.056 0.000 2.179 554 I HA -0.352 3.818 4.170 0.001 0.000 0.242 554 I C 2.724 178.896 176.117 0.091 0.000 1.088 554 I CA 1.712 63.026 61.300 0.024 0.000 1.357 554 I CB -0.598 37.330 38.000 -0.120 0.000 1.051 554 I HN 0.217 nan 8.210 nan 0.000 0.409 555 Y N 1.293 121.600 120.300 0.011 0.000 2.151 555 Y HA -0.371 4.180 4.550 0.001 0.000 0.284 555 Y C 2.344 178.321 175.900 0.127 0.000 1.166 555 Y CA 1.726 59.836 58.100 0.017 0.000 1.163 555 Y CB -0.619 37.794 38.460 -0.078 0.000 0.974 555 Y HN 0.130 nan 8.280 nan 0.000 0.511 556 F N 0.292 120.231 119.950 -0.018 0.000 2.051 556 F HA -0.230 4.297 4.527 0.001 0.000 0.296 556 F C 2.181 177.982 175.800 0.001 0.000 1.122 556 F CA 2.093 60.106 58.000 0.022 0.000 1.201 556 F CB -0.799 38.250 39.000 0.082 0.000 0.978 556 F HN 0.058 nan 8.300 nan 0.000 0.472 557 I N 0.138 120.690 120.570 -0.030 0.000 2.118 557 I HA -0.377 3.793 4.170 0.001 0.000 0.241 557 I C 2.514 178.545 176.117 -0.144 0.000 1.070 557 I CA 1.602 62.845 61.300 -0.095 0.000 1.327 557 I CB -0.687 37.312 38.000 -0.001 0.000 1.034 557 I HN 0.235 nan 8.210 nan 0.000 0.405 558 L N 0.185 121.346 121.223 -0.102 0.000 2.017 558 L HA -0.241 4.100 4.340 0.001 0.000 0.208 558 L C 2.334 179.045 176.870 -0.266 0.000 1.073 558 L CA 1.769 56.545 54.840 -0.105 0.000 0.745 558 L CB -0.621 41.493 42.059 0.093 0.000 0.894 558 L HN 0.337 nan 8.230 nan 0.000 0.432 559 N N -1.362 117.097 118.700 -0.402 0.000 2.270 559 N HA -0.157 4.584 4.740 0.001 0.000 0.181 559 N C 1.375 176.377 175.510 -0.847 0.000 1.016 559 N CA 1.389 54.036 53.050 -0.671 0.000 0.870 559 N CB 0.137 37.988 38.487 -1.060 0.000 0.979 559 N HN 0.258 nan 8.380 nan 0.000 0.431 560 Y N -0.972 119.010 120.300 -0.529 0.000 2.687 560 Y HA 0.241 4.792 4.550 0.001 0.000 0.246 560 Y C 2.209 177.913 175.900 -0.326 0.000 1.061 560 Y CA -0.129 57.693 58.100 -0.463 0.000 1.400 560 Y CB -0.549 37.474 38.460 -0.728 0.000 1.325 560 Y HN -0.156 nan 8.280 nan 0.000 0.498 561 M N 0.899 120.381 119.600 -0.198 0.000 2.308 561 M HA -0.353 4.127 4.480 0.001 0.000 0.257 561 M C 2.276 178.569 176.300 -0.011 0.000 1.070 561 M CA 2.127 57.386 55.300 -0.068 0.000 1.080 561 M CB -1.864 30.709 32.600 -0.043 0.000 1.274 561 M HN 0.447 nan 8.290 nan 0.000 0.434 562 A N 0.474 123.253 122.820 -0.068 0.000 1.912 562 A HA -0.220 4.100 4.320 0.001 0.000 0.217 562 A C 1.522 179.067 177.584 -0.064 0.000 1.309 562 A CA 1.789 53.783 52.037 -0.071 0.000 0.726 562 A CB -1.006 17.910 19.000 -0.139 0.000 0.840 562 A HN 0.527 nan 8.150 nan 0.000 0.473 563 K N -0.055 120.276 120.400 -0.114 0.000 2.382 563 K HA 0.337 4.657 4.320 0.001 0.000 0.286 563 K C 0.729 177.303 176.600 -0.043 0.000 1.062 563 K CA 0.716 56.949 56.287 -0.090 0.000 1.000 563 K CB -0.294 32.128 32.500 -0.131 0.000 0.954 563 K HN 0.842 nan 8.250 nan 0.000 0.470 564 G N 3.344 112.143 108.800 -0.003 0.000 3.006 564 G HA2 -0.169 3.791 3.960 0.001 0.000 0.195 564 G HA3 -0.169 3.791 3.960 0.001 0.000 0.195 564 G C -0.186 174.761 174.900 0.078 0.000 1.034 564 G CA -0.279 44.847 45.100 0.042 0.000 0.807 564 G HN 0.612 nan 8.290 nan 0.000 0.469 565 N N 0.436 119.183 118.700 0.077 0.000 3.211 565 N HA 0.236 4.977 4.740 0.001 0.000 0.183 565 N C -2.384 173.169 175.510 0.072 0.000 1.447 565 N CA -0.346 52.765 53.050 0.101 0.000 0.840 565 N CB 1.337 39.959 38.487 0.225 0.000 1.611 565 N HN -0.015 nan 8.380 nan 0.000 0.610 566 P HA -0.124 nan 4.420 nan 0.000 0.216 566 P C 1.168 178.446 177.300 -0.038 0.000 1.150 566 P CA 1.182 64.263 63.100 -0.032 0.000 0.837 566 P CB 0.588 32.256 31.700 -0.053 0.000 0.786 567 E N -0.225 119.956 120.200 -0.031 0.000 2.047 567 E HA -0.111 4.240 4.350 0.001 0.000 0.191 567 E C 2.214 178.788 176.600 -0.044 0.000 0.987 567 E CA 1.882 58.251 56.400 -0.051 0.000 0.799 567 E CB -1.445 28.217 29.700 -0.064 0.000 0.752 567 E HN 0.098 nan 8.360 nan 0.000 0.449 568 G N 0.479 109.264 108.800 -0.025 0.000 2.476 568 G HA2 -0.292 3.668 3.960 0.001 0.000 0.218 568 G HA3 -0.292 3.668 3.960 0.001 0.000 0.218 568 G C 1.707 176.759 174.900 0.254 0.000 1.164 568 G CA 1.578 46.676 45.100 -0.002 0.000 0.768 568 G HN 0.470 nan 8.290 nan 0.000 0.560 569 A N 0.564 123.514 122.820 0.216 0.000 1.845 569 A HA -0.032 4.289 4.320 0.001 0.000 0.215 569 A C 2.369 179.977 177.584 0.040 0.000 1.195 569 A CA 1.917 54.040 52.037 0.142 0.000 0.616 569 A CB -0.628 18.391 19.000 0.032 0.000 0.832 569 A HN 0.288 nan 8.150 nan 0.000 0.443 570 R N -0.130 120.322 120.500 -0.079 0.000 2.112 570 R HA -0.196 4.144 4.340 0.001 0.000 0.242 570 R C 2.023 178.309 176.300 -0.024 0.000 1.137 570 R CA 2.263 58.262 56.100 -0.168 0.000 0.944 570 R CB -0.660 29.532 30.300 -0.180 0.000 0.857 570 R HN 0.618 nan 8.270 nan 0.000 0.435 571 I N 0.861 121.430 120.570 -0.001 0.000 2.264 571 I HA -0.314 3.857 4.170 0.001 0.000 0.248 571 I C 2.376 178.507 176.117 0.022 0.000 1.111 571 I CA 1.069 62.373 61.300 0.006 0.000 1.382 571 I CB -0.210 37.771 38.000 -0.031 0.000 1.060 571 I HN 0.229 nan 8.210 nan 0.000 0.418 572 L N -0.063 121.216 121.223 0.094 0.000 2.044 572 L HA -0.162 4.179 4.340 0.001 0.000 0.205 572 L C 2.526 179.447 176.870 0.085 0.000 1.075 572 L CA 1.140 56.035 54.840 0.092 0.000 0.747 572 L CB -0.402 41.840 42.059 0.305 0.000 0.903 572 L HN 0.243 nan 8.230 nan 0.000 0.435 573 L N 0.412 121.745 121.223 0.182 0.000 1.943 573 L HA -0.242 4.099 4.340 0.001 0.000 0.215 573 L C 1.543 178.588 176.870 0.291 0.000 1.074 573 L CA 1.751 56.779 54.840 0.312 0.000 0.759 573 L CB -0.871 41.340 42.059 0.253 0.000 0.888 573 L HN 0.445 nan 8.230 nan 0.000 0.433 574 D N -0.559 119.991 120.400 0.249 0.000 2.490 574 D HA -0.114 4.526 4.640 0.001 0.000 0.255 574 D C 1.241 177.593 176.300 0.087 0.000 1.248 574 D CA 0.323 54.452 54.000 0.214 0.000 0.887 574 D CB -0.131 40.823 40.800 0.256 0.000 0.978 574 D HN 0.260 nan 8.370 nan 0.000 0.491 575 K N -0.523 119.878 120.400 0.003 0.000 2.474 575 K HA 0.028 4.348 4.320 0.001 0.000 0.204 575 K C 0.372 176.870 176.600 -0.169 0.000 1.220 575 K CA 0.053 56.261 56.287 -0.131 0.000 0.966 575 K CB 0.354 32.690 32.500 -0.274 0.000 1.049 575 K HN 0.302 nan 8.250 nan 0.000 0.554 576 Y N -0.939 119.265 120.300 -0.160 0.000 2.526 576 Y HA 0.207 4.757 4.550 0.001 0.000 0.265 576 Y C -0.123 175.406 175.900 -0.620 0.000 1.092 576 Y CA -0.751 57.044 58.100 -0.509 0.000 1.277 576 Y CB 0.904 38.793 38.460 -0.952 0.000 1.228 576 Y HN -0.169 nan 8.280 nan 0.000 0.507 577 Y N 0.276 120.732 120.300 0.260 0.000 2.581 577 Y HA 0.402 4.953 4.550 0.001 0.000 0.345 577 Y C -0.499 175.486 175.900 0.142 0.000 1.036 577 Y CA -2.245 55.965 58.100 0.183 0.000 1.042 577 Y CB 0.987 39.558 38.460 0.185 0.000 1.289 577 Y HN -0.348 nan 8.280 nan 0.000 0.471 578 K N 1.428 121.995 120.400 0.279 0.000 2.270 578 K HA 0.281 4.602 4.320 0.001 0.000 0.276 578 K C 0.698 177.373 176.600 0.124 0.000 1.023 578 K CA -0.531 55.849 56.287 0.154 0.000 0.955 578 K CB 0.962 33.525 32.500 0.105 0.000 0.975 578 K HN 0.698 nan 8.250 nan 0.000 0.471 579 R N 1.802 122.319 120.500 0.028 0.000 2.152 579 R HA -0.159 4.181 4.340 0.001 0.000 0.232 579 R C 1.176 177.436 176.300 -0.068 0.000 1.117 579 R CA 1.286 57.323 56.100 -0.105 0.000 0.981 579 R CB -0.002 30.076 30.300 -0.370 0.000 0.870 579 R HN 0.668 nan 8.270 nan 0.000 0.451 580 E N 0.292 120.477 120.200 -0.026 0.000 2.274 580 E HA -0.124 4.227 4.350 0.001 0.000 0.194 580 E C 1.112 177.718 176.600 0.010 0.000 0.996 580 E CA 0.659 57.051 56.400 -0.013 0.000 0.840 580 E CB 0.126 29.823 29.700 -0.005 0.000 0.772 580 E HN 0.333 nan 8.360 nan 0.000 0.491 581 D N 0.067 120.487 120.400 0.034 0.000 2.201 581 D HA -0.061 4.579 4.640 0.001 0.000 0.209 581 D C 2.111 178.420 176.300 0.015 0.000 0.961 581 D CA 0.605 54.622 54.000 0.027 0.000 0.861 581 D CB 0.249 41.079 40.800 0.050 0.000 0.997 581 D HN 0.004 nan 8.370 nan 0.000 0.486 582 V N 1.949 121.898 119.914 0.058 0.000 2.343 582 V HA -0.224 3.897 4.120 0.001 0.000 0.247 582 V C 2.571 178.724 176.094 0.098 0.000 1.051 582 V CA 1.092 63.446 62.300 0.091 0.000 1.036 582 V CB -0.367 31.602 31.823 0.242 0.000 0.654 582 V HN 0.176 nan 8.190 nan 0.000 0.451 583 I N -0.289 120.328 120.570 0.079 0.000 2.127 583 I HA -0.309 3.862 4.170 0.001 0.000 0.241 583 I C 2.778 178.926 176.117 0.051 0.000 1.075 583 I CA 2.080 63.422 61.300 0.071 0.000 1.334 583 I CB -0.529 37.486 38.000 0.024 0.000 1.040 583 I HN 0.241 nan 8.210 nan 0.000 0.405 584 R N 0.886 121.400 120.500 0.022 0.000 2.094 584 R HA -0.201 4.139 4.340 0.001 0.000 0.239 584 R C 2.311 178.605 176.300 -0.010 0.000 1.137 584 R CA 2.135 58.237 56.100 0.003 0.000 0.943 584 R CB -0.369 29.927 30.300 -0.007 0.000 0.850 584 R HN 0.180 nan 8.270 nan 0.000 0.433 585 V N 0.930 120.834 119.914 -0.017 0.000 2.343 585 V HA -0.244 3.876 4.120 0.001 0.000 0.247 585 V C 2.509 178.571 176.094 -0.053 0.000 1.051 585 V CA 1.969 64.240 62.300 -0.048 0.000 1.036 585 V CB -0.716 31.074 31.823 -0.055 0.000 0.654 585 V HN 0.591 nan 8.190 nan 0.000 0.451 586 A N -0.759 122.087 122.820 0.044 0.000 1.898 586 A HA -0.172 4.148 4.320 0.001 0.000 0.216 586 A C 2.306 179.968 177.584 0.130 0.000 1.181 586 A CA 1.484 53.620 52.037 0.165 0.000 0.620 586 A CB -0.374 18.802 19.000 0.294 0.000 0.819 586 A HN 0.383 nan 8.150 nan 0.000 0.442 587 K N 0.330 120.775 120.400 0.075 0.000 2.025 587 K HA -0.134 4.187 4.320 0.001 0.000 0.207 587 K C 1.485 178.087 176.600 0.003 0.000 1.049 587 K CA 1.553 57.872 56.287 0.054 0.000 0.933 587 K CB -0.374 32.147 32.500 0.034 0.000 0.714 587 K HN 0.886 nan 8.250 nan 0.000 0.438 588 E N 0.221 120.396 120.200 -0.042 0.000 2.335 588 E HA 0.022 4.373 4.350 0.001 0.000 0.191 588 E C 0.817 177.329 176.600 -0.147 0.000 1.077 588 E CA 0.272 56.627 56.400 -0.074 0.000 1.010 588 E CB 0.439 30.099 29.700 -0.068 0.000 1.141 588 E HN -0.088 nan 8.360 nan 0.000 0.452 589 K N -0.625 119.644 120.400 -0.220 0.000 2.585 589 K HA 0.234 4.554 4.320 0.001 0.000 0.210 589 K C -0.029 176.280 176.600 -0.484 0.000 1.504 589 K CA 0.183 56.205 56.287 -0.441 0.000 1.029 589 K CB 0.578 32.666 32.500 -0.687 0.000 1.332 589 K HN 0.079 nan 8.250 nan 0.000 0.569 590 F N 0.268 120.237 119.950 0.031 0.000 2.698 590 F HA 0.395 4.922 4.527 0.001 0.000 0.304 590 F C 1.307 177.109 175.800 0.002 0.000 1.108 590 F CA -0.259 57.752 58.000 0.018 0.000 1.263 590 F CB 0.336 39.341 39.000 0.009 0.000 1.013 590 F HN 0.149 nan 8.300 nan 0.000 0.532 591 G N 1.868 110.737 108.800 0.115 0.000 2.700 591 G HA2 -0.432 3.528 3.960 0.001 0.000 0.350 591 G HA3 -0.432 3.528 3.960 0.001 0.000 0.350 591 G C 0.920 175.866 174.900 0.076 0.000 1.250 591 G CA 0.987 46.129 45.100 0.070 0.000 0.978 591 G HN 0.452 nan 8.290 nan 0.000 0.551 592 D N 2.119 122.553 120.400 0.057 0.000 2.504 592 D HA 0.434 5.075 4.640 0.001 0.000 0.243 592 D C 1.104 177.426 176.300 0.037 0.000 1.203 592 D CA 1.605 55.628 54.000 0.039 0.000 0.847 592 D CB -0.170 40.643 40.800 0.023 0.000 0.973 592 D HN 1.037 nan 8.370 nan 0.000 0.490 593 E N -0.862 119.375 120.200 0.062 0.000 2.671 593 E HA 0.405 4.755 4.350 0.001 0.000 0.204 593 E C 1.568 178.178 176.600 0.017 0.000 0.940 593 E CA 0.306 56.717 56.400 0.019 0.000 1.328 593 E CB -0.363 29.332 29.700 -0.010 0.000 1.214 593 E HN 0.306 nan 8.360 nan 0.000 0.624 594 A N 1.032 123.927 122.820 0.126 0.000 1.917 594 A HA -0.161 4.159 4.320 0.001 0.000 0.219 594 A C 2.145 179.776 177.584 0.079 0.000 1.182 594 A CA 2.165 54.314 52.037 0.188 0.000 0.633 594 A CB -0.231 18.910 19.000 0.234 0.000 0.819 594 A HN 0.403 nan 8.150 nan 0.000 0.448 595 E N -0.201 120.030 120.200 0.053 0.000 2.153 595 E HA -0.088 4.263 4.350 0.001 0.000 0.194 595 E C 0.862 177.467 176.600 0.008 0.000 0.988 595 E CA 1.122 57.543 56.400 0.034 0.000 0.811 595 E CB -0.194 29.522 29.700 0.025 0.000 0.746 595 E HN 0.281 nan 8.360 nan 0.000 0.466 596 V N 0.528 120.427 119.914 -0.025 0.000 3.164 596 V HA 0.098 4.218 4.120 0.001 0.000 0.388 596 V C 0.521 176.553 176.094 -0.102 0.000 1.279 596 V CA 0.020 62.288 62.300 -0.053 0.000 1.426 596 V CB 0.161 31.947 31.823 -0.062 0.000 1.330 596 V HN 0.091 nan 8.190 nan 0.000 0.511 597 V N -1.199 118.664 119.914 -0.086 0.000 3.837 597 V HA 0.079 4.200 4.120 0.001 0.000 0.182 597 V C 1.829 177.900 176.094 -0.038 0.000 1.356 597 V CA 0.118 62.336 62.300 -0.137 0.000 1.260 597 V CB -0.010 31.662 31.823 -0.252 0.000 1.287 597 V HN 0.361 nan 8.190 nan 0.000 0.572 598 L N 0.621 121.876 121.223 0.053 0.000 2.089 598 L HA -0.237 4.103 4.340 0.001 0.000 0.213 598 L C 2.654 179.647 176.870 0.205 0.000 1.079 598 L CA 2.105 57.065 54.840 0.199 0.000 0.758 598 L CB -0.608 41.580 42.059 0.215 0.000 0.891 598 L HN 0.346 nan 8.230 nan 0.000 0.433 599 R N -0.694 119.866 120.500 0.099 0.000 2.148 599 R HA -0.083 4.257 4.340 0.001 0.000 0.223 599 R C 2.363 178.685 176.300 0.036 0.000 1.088 599 R CA 0.472 56.619 56.100 0.078 0.000 0.985 599 R CB -0.272 30.051 30.300 0.039 0.000 0.880 599 R HN 0.310 nan 8.270 nan 0.000 0.451 600 R N 0.998 121.493 120.500 -0.008 0.000 2.193 600 R HA -0.026 4.314 4.340 0.001 0.000 0.213 600 R C 1.396 177.653 176.300 -0.072 0.000 1.055 600 R CA 0.965 57.037 56.100 -0.046 0.000 0.995 600 R CB 0.257 30.509 30.300 -0.080 0.000 0.893 600 R HN 0.092 nan 8.270 nan 0.000 0.459 601 V N -0.205 119.644 119.914 -0.109 0.000 2.521 601 V HA 0.009 4.129 4.120 0.001 0.000 0.239 601 V C 0.262 176.206 176.094 -0.250 0.000 1.053 601 V CA 0.563 62.719 62.300 -0.240 0.000 1.073 601 V CB -0.150 31.417 31.823 -0.428 0.000 0.746 601 V HN 0.117 nan 8.190 nan 0.000 0.476 602 Y N 1.898 122.206 120.300 0.013 0.000 2.627 602 Y HA 0.195 4.745 4.550 0.001 0.000 0.347 602 Y C 1.511 177.414 175.900 0.006 0.000 1.099 602 Y CA -0.112 57.998 58.100 0.015 0.000 1.408 602 Y CB 0.162 38.635 38.460 0.022 0.000 1.247 602 Y HN 0.078 nan 8.280 nan 0.000 0.506 603 K N 1.213 121.670 120.400 0.096 0.000 2.008 603 K HA -0.323 3.997 4.320 0.001 0.000 0.231 603 K C 0.059 176.697 176.600 0.064 0.000 1.031 603 K CA 2.237 58.558 56.287 0.056 0.000 0.995 603 K CB -0.146 32.378 32.500 0.040 0.000 0.747 603 K HN 0.597 nan 8.250 nan 0.000 0.447 604 D N -2.200 118.242 120.400 0.069 0.000 2.375 604 D HA 0.429 5.069 4.640 0.001 0.000 0.247 604 D C -0.052 176.282 176.300 0.056 0.000 1.061 604 D CA 0.459 54.490 54.000 0.052 0.000 0.834 604 D CB 1.724 42.543 40.800 0.032 0.000 1.247 604 D HN 0.248 nan 8.370 nan 0.000 0.489 605 I N -0.320 120.276 120.570 0.044 0.000 4.827 605 I HA 0.400 4.570 4.170 0.001 0.000 0.362 605 I C 0.689 176.812 176.117 0.010 0.000 1.237 605 I CA 0.574 61.888 61.300 0.022 0.000 1.366 605 I CB -0.532 37.485 38.000 0.029 0.000 1.742 605 I HN 0.525 nan 8.210 nan 0.000 0.588 606 K N 0.000 120.409 120.400 0.015 0.000 2.780 606 K HA 0.000 4.320 4.320 0.001 0.000 0.191 606 K CA 0.000 56.292 56.287 0.009 0.000 0.838 606 K CB 0.000 32.507 32.500 0.011 0.000 1.064 606 K HN 0.000 nan 8.250 nan 0.000 0.543