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 1sf2_1_B DATA FIRST_RESID 2 DATA SEQUENCE NSNKELMQRR SQAIPRGVGQ IHPIFADRAE NCRVWDVEGR EYLDFAGGIA DATA SEQUENCE VLNTGHLHPK VVAAVEAQLK KLSHTCFQVL AYEPYLELCE IMNQKVPGDF DATA SEQUENCE AKKTLLVTTG SEAVENAVKI ARAATKRSGT IAFSGAYHGR THYTLALTGK DATA SEQUENCE VNPYSAGMGL MPGHVYRALY PCPLHGISED DAIASIHRIF KNDAAPEDIA DATA SEQUENCE AIVIEPVQGE GGFYASSPAF MQRLRALCDE HGIMLIADEV QSGAGRTGTL DATA SEQUENCE FAMEQMGVAP DLTTFAKSIA GGFPLAGVTG RAEVMDAVAP GGLGGTYAGN DATA SEQUENCE PIACVAALEV LKVFEQENLL QKANDLGQKL KDGLLAIAEK HPEIGDVRGL DATA SEQUENCE GAMIAIELFE DGDHNKPDAK LTAEIVARAR DKGLILLSCG PYYNVLRILV DATA SEQUENCE PLTIEDAQIR QGLEIISQCF DEAKQ 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.490 175.510 -0.033 0.000 1.280 2 N CA 0.000 53.025 53.050 -0.041 0.000 0.885 2 N CB 0.000 38.469 38.487 -0.031 0.000 1.341 3 S N -0.460 115.205 115.700 -0.057 0.000 2.568 3 S HA 0.519 4.989 4.470 0.001 0.000 0.302 3 S C 0.423 174.987 174.600 -0.061 0.000 1.082 3 S CA -0.708 57.472 58.200 -0.033 0.000 1.009 3 S CB 2.015 65.200 63.200 -0.025 0.000 1.069 3 S HN 0.035 nan 8.310 nan 0.000 0.500 4 N N 1.883 120.588 118.700 0.008 0.000 2.084 4 N HA -0.088 4.653 4.740 0.001 0.000 0.190 4 N C 1.402 176.922 175.510 0.017 0.000 1.030 4 N CA 1.339 54.423 53.050 0.057 0.000 0.849 4 N CB -0.327 38.244 38.487 0.140 0.000 1.012 4 N HN 0.663 nan 8.380 nan 0.000 0.423 5 K N 1.090 121.499 120.400 0.015 0.000 2.097 5 K HA -0.138 4.182 4.320 0.001 0.000 0.206 5 K C 1.927 178.506 176.600 -0.035 0.000 1.049 5 K CA 0.785 57.078 56.287 0.009 0.000 0.933 5 K CB -0.095 32.412 32.500 0.011 0.000 0.717 5 K HN 0.361 nan 8.250 nan 0.000 0.442 6 E N 1.408 121.565 120.200 -0.072 0.000 2.077 6 E HA -0.194 4.157 4.350 0.001 0.000 0.193 6 E C 2.015 178.518 176.600 -0.162 0.000 0.989 6 E CA 0.940 57.283 56.400 -0.096 0.000 0.800 6 E CB -0.003 29.639 29.700 -0.098 0.000 0.746 6 E HN 0.228 nan 8.360 nan 0.000 0.452 7 L N 0.145 121.179 121.223 -0.316 0.000 2.093 7 L HA -0.163 4.177 4.340 0.001 0.000 0.208 7 L C 2.763 179.457 176.870 -0.292 0.000 1.085 7 L CA 0.597 55.070 54.840 -0.612 0.000 0.755 7 L CB -0.348 40.748 42.059 -1.604 0.000 0.904 7 L HN 0.287 nan 8.230 nan 0.000 0.435 8 M N -0.471 119.110 119.600 -0.032 0.000 2.159 8 M HA -0.224 4.257 4.480 0.001 0.000 0.263 8 M C 2.297 178.642 176.300 0.075 0.000 1.063 8 M CA 1.652 57.056 55.300 0.172 0.000 1.110 8 M CB -0.891 31.801 32.600 0.153 0.000 1.374 8 M HN 0.249 nan 8.290 nan 0.000 0.411 9 Q N 0.714 120.522 119.800 0.012 0.000 2.046 9 Q HA -0.103 4.238 4.340 0.001 0.000 0.200 9 Q C 1.979 177.982 176.000 0.005 0.000 0.975 9 Q CA 1.855 57.661 55.803 0.005 0.000 0.836 9 Q CB -0.211 28.519 28.738 -0.013 0.000 0.896 9 Q HN 0.417 nan 8.270 nan 0.000 0.428 10 R N -0.325 120.163 120.500 -0.020 0.000 2.120 10 R HA -0.087 4.254 4.340 0.001 0.000 0.234 10 R C 2.484 178.804 176.300 0.034 0.000 1.123 10 R CA 1.406 57.499 56.100 -0.011 0.000 0.975 10 R CB -0.346 29.924 30.300 -0.049 0.000 0.866 10 R HN 0.250 nan 8.270 nan 0.000 0.446 11 R N 0.846 121.396 120.500 0.082 0.000 2.081 11 R HA -0.122 4.219 4.340 0.001 0.000 0.235 11 R C 2.212 178.557 176.300 0.075 0.000 1.131 11 R CA 1.951 58.129 56.100 0.129 0.000 0.960 11 R CB -0.157 30.281 30.300 0.230 0.000 0.856 11 R HN 0.259 nan 8.270 nan 0.000 0.436 12 S N -0.189 115.545 115.700 0.057 0.000 2.447 12 S HA -0.088 4.382 4.470 0.001 0.000 0.233 12 S C 1.623 176.239 174.600 0.026 0.000 1.006 12 S CA 0.650 58.871 58.200 0.036 0.000 0.957 12 S CB 0.118 63.334 63.200 0.028 0.000 0.773 12 S HN 0.358 nan 8.310 nan 0.000 0.507 13 Q N 0.402 120.217 119.800 0.025 0.000 2.339 13 Q HA 0.397 4.738 4.340 0.001 0.000 0.205 13 Q C 2.130 178.142 176.000 0.020 0.000 0.925 13 Q CA 1.151 56.965 55.803 0.018 0.000 0.898 13 Q CB -0.218 28.527 28.738 0.012 0.000 1.013 13 Q HN 0.718 nan 8.270 nan 0.000 0.504 14 A N -0.154 122.683 122.820 0.028 0.000 2.140 14 A HA 0.286 4.606 4.320 0.001 0.000 0.209 14 A C 0.907 178.510 177.584 0.032 0.000 1.181 14 A CA 0.056 52.110 52.037 0.029 0.000 0.824 14 A CB 0.528 19.548 19.000 0.033 0.000 0.879 14 A HN 0.168 nan 8.150 nan 0.000 0.480 15 I N 1.700 122.291 120.570 0.036 0.000 2.509 15 I HA 0.317 4.488 4.170 0.001 0.000 0.293 15 I C -2.304 173.828 176.117 0.024 0.000 1.020 15 I CA -2.471 58.848 61.300 0.031 0.000 1.088 15 I CB 2.194 40.217 38.000 0.039 0.000 1.267 15 I HN 0.054 nan 8.210 nan 0.000 0.430 16 P HA 0.044 nan 4.420 nan 0.000 0.267 16 P C 0.087 177.394 177.300 0.012 0.000 1.200 16 P CA -0.252 62.857 63.100 0.015 0.000 0.772 16 P CB 0.629 32.338 31.700 0.015 0.000 0.855 17 R N 1.255 121.761 120.500 0.009 0.000 2.237 17 R HA -0.028 4.313 4.340 0.001 0.000 0.219 17 R C 2.110 178.412 176.300 0.004 0.000 1.080 17 R CA 1.319 57.422 56.100 0.005 0.000 0.995 17 R CB -1.509 28.792 30.300 0.002 0.000 0.875 17 R HN 0.505 nan 8.270 nan 0.000 0.462 18 G N 1.514 110.320 108.800 0.009 0.000 2.469 18 G HA2 -0.170 3.790 3.960 0.001 0.000 0.220 18 G HA3 -0.170 3.790 3.960 0.001 0.000 0.220 18 G C 0.518 175.426 174.900 0.013 0.000 1.136 18 G CA 0.671 45.780 45.100 0.014 0.000 0.759 18 G HN 0.181 nan 8.290 nan 0.000 0.562 19 V N 2.061 121.978 119.914 0.005 0.000 2.370 19 V HA 0.478 4.598 4.120 0.001 0.000 0.257 19 V C 1.266 177.352 176.094 -0.014 0.000 1.064 19 V CA -0.496 61.801 62.300 -0.004 0.000 0.975 19 V CB 0.166 31.985 31.823 -0.007 0.000 1.067 19 V HN 0.286 nan 8.190 nan 0.000 0.485 20 G N 3.739 112.528 108.800 -0.018 0.000 2.634 20 G HA2 0.408 4.368 3.960 0.001 0.000 0.255 20 G HA3 0.408 4.368 3.960 0.001 0.000 0.255 20 G C -0.379 174.486 174.900 -0.059 0.000 1.205 20 G CA -0.192 44.886 45.100 -0.036 0.000 0.884 20 G HN 0.632 nan 8.290 nan 0.000 0.549 21 Q N -0.032 119.723 119.800 -0.075 0.000 2.414 21 Q HA 0.299 4.640 4.340 0.001 0.000 0.256 21 Q C 0.926 176.846 176.000 -0.135 0.000 0.974 21 Q CA -0.648 55.096 55.803 -0.097 0.000 0.723 21 Q CB 0.995 29.688 28.738 -0.076 0.000 1.281 21 Q HN 0.300 nan 8.270 nan 0.000 0.470 22 I N 1.588 122.047 120.570 -0.185 0.000 2.142 22 I HA -0.145 4.026 4.170 0.001 0.000 0.240 22 I C 0.432 176.267 176.117 -0.470 0.000 1.078 22 I CA 1.286 62.383 61.300 -0.339 0.000 1.343 22 I CB -0.559 37.198 38.000 -0.406 0.000 1.046 22 I HN 0.585 nan 8.210 nan 0.000 0.405 23 H N 2.227 121.235 119.070 -0.104 0.000 2.587 23 H HA 0.257 4.813 4.556 0.001 0.000 0.325 23 H C -1.899 173.364 175.328 -0.108 0.000 1.012 23 H CA -2.136 53.846 56.048 -0.111 0.000 1.213 23 H CB 1.306 30.976 29.762 -0.154 0.000 1.431 23 H HN 0.062 nan 8.280 nan 0.000 0.492 24 P HA 0.185 nan 4.420 nan 0.000 0.225 24 P C -0.265 177.090 177.300 0.092 0.000 1.768 24 P CA 0.265 63.394 63.100 0.049 0.000 0.943 24 P CB -0.353 31.380 31.700 0.055 0.000 1.936 25 I N 0.498 121.084 120.570 0.028 0.000 2.545 25 I HA 0.355 4.525 4.170 0.001 0.000 0.292 25 I C -0.302 175.812 176.117 -0.004 0.000 1.040 25 I CA -1.117 60.206 61.300 0.037 0.000 1.068 25 I CB 1.902 39.808 38.000 -0.156 0.000 1.251 25 I HN -0.170 nan 8.210 nan 0.000 0.424 26 F N 4.440 124.370 119.950 -0.033 0.000 2.361 26 F HA 0.549 5.077 4.527 0.001 0.000 0.364 26 F C 0.748 176.538 175.800 -0.017 0.000 1.120 26 F CA -0.507 57.480 58.000 -0.021 0.000 1.102 26 F CB 1.357 40.358 39.000 0.000 0.000 1.183 26 F HN 0.426 nan 8.300 nan 0.000 0.476 27 A N 2.678 125.524 122.820 0.044 0.000 2.425 27 A HA 0.244 4.565 4.320 0.001 0.000 0.249 27 A C 0.765 178.409 177.584 0.099 0.000 1.084 27 A CA -0.077 51.982 52.037 0.036 0.000 0.781 27 A CB 0.361 19.330 19.000 -0.051 0.000 1.019 27 A HN 0.813 nan 8.150 nan 0.000 0.490 28 D N 0.300 120.775 120.400 0.125 0.000 2.525 28 D HA 0.114 4.754 4.640 0.001 0.000 0.248 28 D C 0.671 177.030 176.300 0.098 0.000 1.000 28 D CA 0.856 54.925 54.000 0.116 0.000 0.923 28 D CB 0.254 41.127 40.800 0.122 0.000 1.101 28 D HN 0.737 nan 8.370 nan 0.000 0.493 29 R N -1.012 119.573 120.500 0.143 0.000 2.733 29 R HA 0.825 5.166 4.340 0.001 0.000 0.272 29 R C -1.709 174.722 176.300 0.218 0.000 1.029 29 R CA -1.086 55.098 56.100 0.139 0.000 0.888 29 R CB 1.320 31.680 30.300 0.099 0.000 1.251 29 R HN -0.028 nan 8.270 nan 0.000 0.464 30 A N 0.380 123.297 122.820 0.161 0.000 2.610 30 A HA 0.662 4.982 4.320 0.001 0.000 0.291 30 A C -1.719 175.976 177.584 0.185 0.000 1.086 30 A CA -0.666 51.413 52.037 0.070 0.000 0.677 30 A CB 2.321 20.964 19.000 -0.594 0.000 1.278 30 A HN 0.809 nan 8.150 nan 0.000 0.414 31 E N 1.118 121.440 120.200 0.203 0.000 2.343 31 E HA 0.377 4.728 4.350 0.001 0.000 0.288 31 E C 0.296 177.004 176.600 0.181 0.000 0.907 31 E CA 0.065 56.601 56.400 0.226 0.000 0.792 31 E CB 1.103 30.970 29.700 0.278 0.000 1.275 31 E HN 1.012 nan 8.360 nan 0.000 0.402 32 N N 2.139 120.952 118.700 0.188 0.000 1.758 32 N HA -0.351 4.389 4.740 0.001 0.000 0.152 32 N C 0.281 175.899 175.510 0.181 0.000 0.558 32 N CA 2.449 55.585 53.050 0.143 0.000 1.229 32 N CB -1.136 37.398 38.487 0.079 0.000 1.337 32 N HN 0.570 nan 8.380 nan 0.000 0.432 33 C N 1.790 121.160 119.300 0.115 0.000 2.974 33 C HA 0.372 4.833 4.460 0.001 0.000 0.282 33 C C 0.266 175.270 174.990 0.023 0.000 1.292 33 C CA -0.407 58.678 59.018 0.112 0.000 1.710 33 C CB -1.301 26.496 27.740 0.096 0.000 2.036 33 C HN 0.258 nan 8.230 nan 0.000 0.629 34 R N 0.434 120.886 120.500 -0.080 0.000 2.532 34 R HA 0.727 5.067 4.340 0.001 0.000 0.295 34 R C -1.205 174.772 176.300 -0.538 0.000 0.968 34 R CA -0.186 55.679 56.100 -0.391 0.000 0.916 34 R CB 1.743 31.691 30.300 -0.586 0.000 1.124 34 R HN -0.002 nan 8.270 nan 0.000 0.463 35 V N 2.373 121.906 119.914 -0.634 0.000 2.760 35 V HA 0.438 4.559 4.120 0.001 0.000 0.309 35 V C -0.857 174.994 176.094 -0.405 0.000 1.077 35 V CA -0.911 61.135 62.300 -0.424 0.000 0.910 35 V CB 2.183 33.838 31.823 -0.280 0.000 1.008 35 V HN 0.664 nan 8.190 nan 0.000 0.424 36 W N 2.683 124.008 121.300 0.042 0.000 2.587 36 W HA 0.450 5.111 4.660 0.001 0.000 0.324 36 W C -0.305 176.276 176.519 0.104 0.000 1.040 36 W CA -0.642 56.762 57.345 0.098 0.000 1.222 36 W CB 2.302 31.782 29.460 0.034 0.000 1.381 36 W HN 0.815 nan 8.180 nan 0.000 0.483 37 D N -0.824 119.794 120.400 0.363 0.000 2.478 37 D HA 0.155 4.796 4.640 0.001 0.000 0.269 37 D C 1.178 177.606 176.300 0.212 0.000 1.232 37 D CA -0.497 53.654 54.000 0.251 0.000 1.059 37 D CB 0.068 41.024 40.800 0.259 0.000 1.104 37 D HN 0.110 nan 8.370 nan 0.000 0.566 38 V N -3.207 116.809 119.914 0.170 0.000 3.078 38 V HA -0.064 4.057 4.120 0.001 0.000 0.265 38 V C 1.207 177.355 176.094 0.090 0.000 1.122 38 V CA 1.358 63.725 62.300 0.112 0.000 1.141 38 V CB -1.174 30.691 31.823 0.071 0.000 0.735 38 V HN 0.526 nan 8.190 nan 0.000 0.498 39 E N 0.454 120.724 120.200 0.117 0.000 2.481 39 E HA 0.375 4.725 4.350 0.001 0.000 0.198 39 E C 1.692 178.350 176.600 0.098 0.000 1.027 39 E CA 0.451 56.904 56.400 0.088 0.000 0.900 39 E CB 0.502 30.253 29.700 0.085 0.000 0.993 39 E HN 0.774 nan 8.360 nan 0.000 0.482 40 G N 2.354 111.243 108.800 0.148 0.000 2.176 40 G HA2 -0.348 3.612 3.960 0.001 0.000 0.253 40 G HA3 -0.348 3.612 3.960 0.001 0.000 0.253 40 G C 0.370 175.415 174.900 0.243 0.000 0.979 40 G CA 0.197 45.403 45.100 0.178 0.000 0.641 40 G HN 0.254 nan 8.290 nan 0.000 0.530 41 R N 1.201 121.800 120.500 0.165 0.000 2.491 41 R HA 0.420 4.760 4.340 0.001 0.000 0.283 41 R C 0.162 176.399 176.300 -0.105 0.000 1.072 41 R CA -0.068 56.025 56.100 -0.012 0.000 1.048 41 R CB 0.333 30.560 30.300 -0.122 0.000 0.983 41 R HN 0.437 nan 8.270 nan 0.000 0.450 42 E N 3.421 123.437 120.200 -0.307 0.000 2.216 42 E HA 0.179 4.529 4.350 0.001 0.000 0.279 42 E C -1.456 174.746 176.600 -0.664 0.000 0.997 42 E CA -0.546 55.523 56.400 -0.552 0.000 0.817 42 E CB 0.695 30.126 29.700 -0.448 0.000 1.096 42 E HN 0.453 nan 8.360 nan 0.000 0.393 43 Y N 2.006 122.041 120.300 -0.442 0.000 2.570 43 Y HA 0.370 4.921 4.550 0.001 0.000 0.345 43 Y C -0.537 175.172 175.900 -0.319 0.000 1.014 43 Y CA -1.121 56.789 58.100 -0.316 0.000 1.063 43 Y CB 1.298 39.598 38.460 -0.267 0.000 1.272 43 Y HN 0.421 nan 8.280 nan 0.000 0.477 44 L N 2.690 123.864 121.223 -0.081 0.000 2.272 44 L HA 0.426 4.767 4.340 0.001 0.000 0.289 44 L C -0.695 176.173 176.870 -0.002 0.000 1.032 44 L CA -0.401 54.389 54.840 -0.083 0.000 0.810 44 L CB 0.583 42.547 42.059 -0.157 0.000 1.205 44 L HN 0.567 nan 8.230 nan 0.000 0.422 45 D N 4.016 124.470 120.400 0.091 0.000 2.365 45 D HA 0.114 4.754 4.640 0.001 0.000 0.237 45 D C -0.039 176.466 176.300 0.341 0.000 1.190 45 D CA 0.129 54.221 54.000 0.154 0.000 0.867 45 D CB 0.317 41.216 40.800 0.164 0.000 1.050 45 D HN 0.417 nan 8.370 nan 0.000 0.491 46 F N 2.061 121.997 119.950 -0.024 0.000 2.639 46 F HA 0.334 4.862 4.527 0.001 0.000 0.302 46 F C 1.554 177.348 175.800 -0.010 0.000 1.097 46 F CA -0.368 57.624 58.000 -0.013 0.000 1.294 46 F CB 0.255 39.244 39.000 -0.017 0.000 1.027 46 F HN 0.500 nan 8.300 nan 0.000 0.550 47 A N -0.849 122.050 122.820 0.132 0.000 2.055 47 A HA 0.465 4.785 4.320 0.001 0.000 0.205 47 A C 1.861 179.462 177.584 0.028 0.000 1.235 47 A CA 0.604 52.681 52.037 0.066 0.000 0.822 47 A CB -0.703 18.337 19.000 0.066 0.000 0.903 47 A HN 0.401 nan 8.150 nan 0.000 0.473 48 G N -0.409 108.405 108.800 0.024 0.000 2.323 48 G HA2 0.148 4.109 3.960 0.001 0.000 0.292 48 G HA3 0.148 4.109 3.960 0.001 0.000 0.292 48 G C 1.414 176.277 174.900 -0.061 0.000 1.040 48 G CA 0.763 45.838 45.100 -0.043 0.000 0.942 48 G HN 2.015 nan 8.290 nan 0.000 0.506 49 G N -0.418 108.367 108.800 -0.025 0.000 2.296 49 G HA2 -0.103 3.857 3.960 0.001 0.000 0.282 49 G HA3 -0.103 3.857 3.960 0.001 0.000 0.282 49 G C 0.771 175.655 174.900 -0.025 0.000 1.014 49 G CA 0.426 45.509 45.100 -0.027 0.000 0.812 49 G HN 2.187 nan 8.290 nan 0.000 0.508 50 I N -3.624 116.939 120.570 -0.013 0.000 6.526 50 I HA -0.183 3.987 4.170 0.001 0.000 0.126 50 I C 1.387 177.507 176.117 0.005 0.000 1.826 50 I CA 0.341 61.638 61.300 -0.006 0.000 2.038 50 I CB -1.961 36.024 38.000 -0.024 0.000 3.502 50 I HN 2.131 nan 8.210 nan 0.000 0.169 51 A N 1.670 124.497 122.820 0.012 0.000 2.847 51 A HA -0.218 4.103 4.320 0.001 0.000 0.263 51 A C 1.028 178.613 177.584 0.001 0.000 1.391 51 A CA 1.362 53.407 52.037 0.014 0.000 0.866 51 A CB -1.762 17.258 19.000 0.033 0.000 1.057 51 A HN 0.871 nan 8.150 nan 0.000 0.673 52 V N -1.144 118.759 119.914 -0.017 0.000 3.471 52 V HA 0.138 4.259 4.120 0.001 0.000 0.258 52 V C 1.200 177.273 176.094 -0.035 0.000 1.192 52 V CA 1.580 63.869 62.300 -0.018 0.000 1.116 52 V CB 0.067 31.869 31.823 -0.034 0.000 0.792 52 V HN 0.579 nan 8.190 nan 0.000 0.459 53 L N 0.810 121.989 121.223 -0.074 0.000 3.030 53 L HA 0.381 4.721 4.340 0.001 0.000 0.252 53 L C 1.064 177.901 176.870 -0.056 0.000 1.316 53 L CA -0.237 54.540 54.840 -0.105 0.000 0.975 53 L CB -0.009 41.880 42.059 -0.283 0.000 1.357 53 L HN 0.113 nan 8.230 nan 0.000 0.534 54 N N 0.327 119.029 118.700 0.003 0.000 2.289 54 N HA -0.114 4.627 4.740 0.001 0.000 0.184 54 N C 1.723 177.200 175.510 -0.055 0.000 1.016 54 N CA 1.609 54.666 53.050 0.012 0.000 0.872 54 N CB 0.014 38.587 38.487 0.144 0.000 0.973 54 N HN 0.465 nan 8.380 nan 0.000 0.433 55 T N -2.612 111.926 114.554 -0.027 0.000 3.163 55 T HA 0.461 4.811 4.350 0.001 0.000 0.252 55 T C 0.870 175.615 174.700 0.075 0.000 1.056 55 T CA 0.015 62.089 62.100 -0.043 0.000 0.947 55 T CB -0.076 68.750 68.868 -0.071 0.000 1.016 55 T HN 0.316 nan 8.240 nan 0.000 0.554 56 G N 1.270 110.081 108.800 0.017 0.000 2.758 56 G HA2 -0.158 3.802 3.960 0.001 0.000 0.686 56 G HA3 -0.158 3.802 3.960 0.001 0.000 0.686 56 G C -0.794 174.124 174.900 0.029 0.000 1.389 56 G CA -0.978 44.140 45.100 0.030 0.000 0.845 56 G HN 0.575 nan 8.290 nan 0.000 0.572 57 H N 0.653 119.761 119.070 0.062 0.000 2.886 57 H HA 0.212 4.768 4.556 0.001 0.000 0.329 57 H C 1.617 177.000 175.328 0.093 0.000 1.044 57 H CA 0.980 57.065 56.048 0.062 0.000 1.456 57 H CB 0.452 30.246 29.762 0.053 0.000 1.464 57 H HN 0.721 nan 8.280 nan 0.000 0.573 58 L N 2.924 124.280 121.223 0.222 0.000 3.854 58 L HA -0.261 4.080 4.340 0.001 0.000 0.460 58 L C 0.766 177.753 176.870 0.194 0.000 1.228 58 L CA 0.321 55.290 54.840 0.214 0.000 0.760 58 L CB -1.469 40.697 42.059 0.178 0.000 1.597 58 L HN 0.702 nan 8.230 nan 0.000 0.852 59 H N 3.482 122.626 119.070 0.123 0.000 3.157 59 H HA 0.009 4.565 4.556 0.001 0.000 0.299 59 H C -1.150 174.226 175.328 0.080 0.000 0.961 59 H CA -0.569 55.528 56.048 0.082 0.000 1.428 59 H CB 1.205 31.002 29.762 0.057 0.000 1.459 59 H HN 0.170 nan 8.280 nan 0.000 0.566 60 P HA -0.229 nan 4.420 nan 0.000 0.216 60 P C 1.214 178.602 177.300 0.146 0.000 1.154 60 P CA 1.344 64.456 63.100 0.020 0.000 0.865 60 P CB 0.451 32.102 31.700 -0.082 0.000 0.789 61 K N -0.249 120.350 120.400 0.331 0.000 2.057 61 K HA -0.038 4.282 4.320 0.001 0.000 0.206 61 K C 2.281 178.978 176.600 0.163 0.000 1.050 61 K CA 0.848 57.280 56.287 0.242 0.000 0.935 61 K CB -1.299 31.353 32.500 0.253 0.000 0.715 61 K HN 0.115 nan 8.250 nan 0.000 0.439 62 V N 1.340 121.385 119.914 0.218 0.000 2.343 62 V HA -0.198 3.922 4.120 0.001 0.000 0.247 62 V C 2.543 178.671 176.094 0.057 0.000 1.051 62 V CA 1.412 63.769 62.300 0.096 0.000 1.036 62 V CB -0.496 31.415 31.823 0.147 0.000 0.654 62 V HN -0.036 nan 8.190 nan 0.000 0.451 63 V N 0.398 120.391 119.914 0.131 0.000 2.343 63 V HA -0.238 3.882 4.120 0.001 0.000 0.247 63 V C 2.742 178.863 176.094 0.047 0.000 1.051 63 V CA 1.937 64.302 62.300 0.107 0.000 1.036 63 V CB -1.220 30.686 31.823 0.140 0.000 0.654 63 V HN 0.550 nan 8.190 nan 0.000 0.451 64 A N 0.142 122.993 122.820 0.052 0.000 1.908 64 A HA -0.165 4.156 4.320 0.001 0.000 0.218 64 A C 2.441 180.028 177.584 0.006 0.000 1.181 64 A CA 2.270 54.325 52.037 0.031 0.000 0.627 64 A CB -0.817 18.206 19.000 0.038 0.000 0.818 64 A HN 0.580 nan 8.150 nan 0.000 0.445 65 A N -0.642 122.174 122.820 -0.007 0.000 1.877 65 A HA -0.028 4.292 4.320 0.001 0.000 0.216 65 A C 2.240 179.783 177.584 -0.067 0.000 1.186 65 A CA 1.825 53.842 52.037 -0.033 0.000 0.620 65 A CB -1.054 17.919 19.000 -0.045 0.000 0.822 65 A HN 0.419 nan 8.150 nan 0.000 0.443 66 V N 0.326 120.168 119.914 -0.120 0.000 2.332 66 V HA -0.303 3.818 4.120 0.001 0.000 0.248 66 V C 2.432 178.486 176.094 -0.067 0.000 1.055 66 V CA 2.425 64.625 62.300 -0.167 0.000 1.038 66 V CB -0.881 30.765 31.823 -0.296 0.000 0.651 66 V HN 0.667 nan 8.190 nan 0.000 0.450 67 E N 0.159 120.344 120.200 -0.024 0.000 2.110 67 E HA -0.177 4.173 4.350 0.001 0.000 0.193 67 E C 2.330 178.929 176.600 -0.003 0.000 0.988 67 E CA 1.229 57.630 56.400 0.001 0.000 0.804 67 E CB -0.349 29.361 29.700 0.017 0.000 0.745 67 E HN 0.618 nan 8.360 nan 0.000 0.458 68 A N 1.321 124.136 122.820 -0.007 0.000 1.877 68 A HA -0.274 4.046 4.320 0.001 0.000 0.216 68 A C 2.190 179.770 177.584 -0.007 0.000 1.186 68 A CA 1.782 53.817 52.037 -0.003 0.000 0.620 68 A CB -0.478 18.522 19.000 -0.001 0.000 0.822 68 A HN 0.126 nan 8.150 nan 0.000 0.443 69 Q N -0.753 119.035 119.800 -0.019 0.000 2.167 69 Q HA -0.078 4.263 4.340 0.001 0.000 0.202 69 Q C 1.747 177.735 176.000 -0.020 0.000 0.970 69 Q CA 1.400 57.189 55.803 -0.022 0.000 0.855 69 Q CB -0.527 28.187 28.738 -0.039 0.000 0.911 69 Q HN 0.482 nan 8.270 nan 0.000 0.438 70 L N 0.135 121.349 121.223 -0.016 0.000 2.265 70 L HA -0.110 4.230 4.340 0.001 0.000 0.215 70 L C 1.390 178.262 176.870 0.002 0.000 1.117 70 L CA 1.671 56.509 54.840 -0.003 0.000 0.782 70 L CB -0.194 41.869 42.059 0.007 0.000 0.914 70 L HN 0.039 nan 8.230 nan 0.000 0.441 71 K N -0.463 119.938 120.400 0.002 0.000 2.365 71 K HA -0.013 4.307 4.320 0.001 0.000 0.197 71 K C 1.779 178.381 176.600 0.004 0.000 1.042 71 K CA 0.746 57.037 56.287 0.005 0.000 0.987 71 K CB 0.138 32.642 32.500 0.007 0.000 0.779 71 K HN 0.451 nan 8.250 nan 0.000 0.484 72 K N 0.158 120.557 120.400 -0.001 0.000 2.161 72 K HA 0.123 4.444 4.320 0.001 0.000 0.205 72 K C 0.215 176.810 176.600 -0.009 0.000 1.035 72 K CA 0.495 56.781 56.287 -0.002 0.000 0.970 72 K CB 0.211 32.711 32.500 -0.001 0.000 0.866 72 K HN -0.030 nan 8.250 nan 0.000 0.461 73 L N -3.244 117.965 121.223 -0.024 0.000 2.845 73 L HA 0.268 4.608 4.340 0.001 0.000 0.256 73 L C -0.031 176.808 176.870 -0.052 0.000 0.968 73 L CA -0.655 54.165 54.840 -0.034 0.000 0.944 73 L CB 1.543 43.569 42.059 -0.054 0.000 1.494 73 L HN 0.016 nan 8.230 nan 0.000 0.419 74 S N -1.379 114.311 115.700 -0.016 0.000 2.520 74 S HA 0.448 4.919 4.470 0.001 0.000 0.219 74 S C 0.129 174.767 174.600 0.063 0.000 1.028 74 S CA 0.805 59.009 58.200 0.007 0.000 0.921 74 S CB -0.367 62.858 63.200 0.041 0.000 0.844 74 S HN 1.214 nan 8.310 nan 0.000 0.495 75 H N -0.269 118.762 119.070 -0.064 0.000 3.094 75 H HA 0.481 5.037 4.556 0.001 0.000 0.335 75 H C -0.011 175.322 175.328 0.008 0.000 1.254 75 H CA 0.327 56.367 56.048 -0.014 0.000 1.240 75 H CB 1.430 31.247 29.762 0.091 0.000 1.936 75 H HN 0.071 nan 8.280 nan 0.000 0.536 76 T N 0.371 114.457 114.554 -0.779 0.000 3.177 76 T HA 0.106 4.457 4.350 0.001 0.000 0.267 76 T C 0.153 174.592 174.700 -0.435 0.000 0.858 76 T CA 0.436 62.288 62.100 -0.413 0.000 0.846 76 T CB -0.732 68.087 68.868 -0.083 0.000 1.256 76 T HN 1.285 nan 8.240 nan 0.000 0.601 77 C N 1.800 120.792 119.300 -0.514 0.000 2.173 77 C HA -0.165 4.296 4.460 0.001 0.000 0.274 77 C C 1.083 176.155 174.990 0.136 0.000 0.739 77 C CA -0.402 58.605 59.018 -0.018 0.000 2.963 77 C CB -2.771 25.003 27.740 0.056 0.000 1.685 77 C HN 0.657 nan 8.230 nan 0.000 0.340 78 F N 2.976 122.989 119.950 0.105 0.000 2.111 78 F HA -0.259 4.268 4.527 0.001 0.000 0.300 78 F C 2.112 177.782 175.800 -0.216 0.000 1.088 78 F CA 2.737 60.600 58.000 -0.229 0.000 1.243 78 F CB -0.101 38.531 39.000 -0.615 0.000 0.996 78 F HN 0.860 nan 8.300 nan 0.000 0.483 79 Q N -0.774 119.030 119.800 0.006 0.000 2.234 79 Q HA -0.177 4.164 4.340 0.001 0.000 0.206 79 Q C 2.137 178.061 176.000 -0.127 0.000 0.980 79 Q CA 1.793 57.562 55.803 -0.057 0.000 0.869 79 Q CB -0.368 28.387 28.738 0.029 0.000 0.912 79 Q HN 0.406 nan 8.270 nan 0.000 0.436 80 V N -0.311 119.541 119.914 -0.105 0.000 2.326 80 V HA -0.020 4.100 4.120 0.001 0.000 0.238 80 V C 0.465 176.469 176.094 -0.149 0.000 1.038 80 V CA 0.742 62.986 62.300 -0.094 0.000 1.032 80 V CB 0.038 31.836 31.823 -0.042 0.000 0.675 80 V HN 0.146 nan 8.190 nan 0.000 0.467 81 L N 0.172 121.302 121.223 -0.155 0.000 2.356 81 L HA 0.750 5.091 4.340 0.001 0.000 0.277 81 L C 0.111 176.810 176.870 -0.285 0.000 0.996 81 L CA -0.269 54.469 54.840 -0.170 0.000 0.822 81 L CB 1.031 43.054 42.059 -0.061 0.000 1.256 81 L HN 0.222 nan 8.230 nan 0.000 0.413 82 A N 3.393 125.895 122.820 -0.530 0.000 2.267 82 A HA 0.756 5.076 4.320 0.001 0.000 0.271 82 A C -1.238 176.186 177.584 -0.267 0.000 1.131 82 A CA 0.087 51.535 52.037 -0.981 0.000 0.818 82 A CB 0.432 18.730 19.000 -1.169 0.000 1.118 82 A HN 0.723 nan 8.150 nan 0.000 0.501 83 Y N -4.231 116.072 120.300 0.006 0.000 2.604 83 Y HA 0.475 5.026 4.550 0.001 0.000 0.331 83 Y C 0.277 176.322 175.900 0.242 0.000 1.158 83 Y CA -0.825 57.350 58.100 0.124 0.000 1.056 83 Y CB 0.455 38.992 38.460 0.129 0.000 1.330 83 Y HN 0.689 nan 8.280 nan 0.000 0.457 84 E N 0.979 121.365 120.200 0.309 0.000 2.085 84 E HA -0.107 4.243 4.350 0.001 0.000 0.194 84 E C -1.157 175.596 176.600 0.255 0.000 0.994 84 E CA 1.729 58.268 56.400 0.231 0.000 0.801 84 E CB -0.930 28.862 29.700 0.155 0.000 0.743 84 E HN 0.576 nan 8.360 nan 0.000 0.453 85 P HA -0.199 nan 4.420 nan 0.000 0.216 85 P C 1.023 178.474 177.300 0.253 0.000 1.150 85 P CA 1.123 64.374 63.100 0.251 0.000 0.837 85 P CB -0.106 31.742 31.700 0.248 0.000 0.786 86 Y N 0.083 120.488 120.300 0.175 0.000 2.070 86 Y HA -0.246 4.305 4.550 0.001 0.000 0.279 86 Y C 2.219 178.044 175.900 -0.125 0.000 1.134 86 Y CA 1.037 59.090 58.100 -0.079 0.000 1.113 86 Y CB -0.934 37.221 38.460 -0.509 0.000 0.981 86 Y HN -0.215 nan 8.280 nan 0.000 0.487 87 L N 1.089 122.478 121.223 0.276 0.000 1.990 87 L HA -0.278 4.063 4.340 0.001 0.000 0.213 87 L C 2.274 179.213 176.870 0.115 0.000 1.072 87 L CA 2.547 57.501 54.840 0.190 0.000 0.755 87 L CB -1.073 41.093 42.059 0.178 0.000 0.889 87 L HN 0.458 nan 8.230 nan 0.000 0.432 88 E N -1.031 119.233 120.200 0.106 0.000 2.085 88 E HA -0.272 4.078 4.350 0.001 0.000 0.194 88 E C 2.196 178.814 176.600 0.031 0.000 0.994 88 E CA 1.540 57.978 56.400 0.065 0.000 0.801 88 E CB -0.274 29.467 29.700 0.068 0.000 0.743 88 E HN 0.465 nan 8.360 nan 0.000 0.453 89 L N 0.491 121.725 121.223 0.018 0.000 2.056 89 L HA -0.156 4.184 4.340 0.001 0.000 0.207 89 L C 2.245 179.090 176.870 -0.042 0.000 1.078 89 L CA 1.559 56.383 54.840 -0.027 0.000 0.749 89 L CB -0.656 41.374 42.059 -0.047 0.000 0.901 89 L HN 0.296 nan 8.230 nan 0.000 0.433 90 C N 0.005 119.287 119.300 -0.029 0.000 2.413 90 C HA -0.173 4.288 4.460 0.001 0.000 0.276 90 C C 2.570 177.560 174.990 0.001 0.000 1.236 90 C CA 1.176 60.189 59.018 -0.008 0.000 1.735 90 C CB -0.978 26.781 27.740 0.032 0.000 2.031 90 C HN 0.607 nan 8.230 nan 0.000 0.474 91 E N 0.483 120.690 120.200 0.012 0.000 2.077 91 E HA -0.166 4.184 4.350 0.001 0.000 0.193 91 E C 2.038 178.629 176.600 -0.015 0.000 0.989 91 E CA 1.088 57.492 56.400 0.008 0.000 0.800 91 E CB -0.124 29.587 29.700 0.018 0.000 0.746 91 E HN 0.517 nan 8.360 nan 0.000 0.452 92 I N 0.785 121.340 120.570 -0.025 0.000 2.226 92 I HA -0.221 3.950 4.170 0.001 0.000 0.245 92 I C 2.226 178.300 176.117 -0.071 0.000 1.100 92 I CA 1.219 62.494 61.300 -0.043 0.000 1.374 92 I CB -0.816 37.156 38.000 -0.047 0.000 1.057 92 I HN 0.227 nan 8.210 nan 0.000 0.413 93 M N 0.263 119.805 119.600 -0.096 0.000 2.175 93 M HA -0.158 4.322 4.480 0.001 0.000 0.264 93 M C 1.905 178.140 176.300 -0.109 0.000 1.063 93 M CA 1.340 56.549 55.300 -0.151 0.000 1.119 93 M CB -1.783 30.689 32.600 -0.213 0.000 1.377 93 M HN 0.351 nan 8.290 nan 0.000 0.415 94 N N -0.152 118.514 118.700 -0.058 0.000 2.223 94 N HA -0.193 4.547 4.740 0.001 0.000 0.185 94 N C 1.675 177.148 175.510 -0.061 0.000 1.016 94 N CA 1.007 54.034 53.050 -0.039 0.000 0.863 94 N CB -0.025 38.459 38.487 -0.006 0.000 0.983 94 N HN 0.536 nan 8.380 nan 0.000 0.429 95 Q N 0.217 119.982 119.800 -0.059 0.000 2.163 95 Q HA 0.064 4.405 4.340 0.001 0.000 0.198 95 Q C 1.562 177.520 176.000 -0.070 0.000 0.954 95 Q CA 0.638 56.404 55.803 -0.061 0.000 0.851 95 Q CB 0.306 29.017 28.738 -0.043 0.000 0.928 95 Q HN 0.177 nan 8.270 nan 0.000 0.459 96 K N 0.335 120.696 120.400 -0.065 0.000 2.167 96 K HA 0.066 4.386 4.320 0.001 0.000 0.203 96 K C 0.566 177.147 176.600 -0.032 0.000 1.052 96 K CA 0.337 56.609 56.287 -0.025 0.000 0.956 96 K CB 0.024 32.532 32.500 0.013 0.000 0.735 96 K HN 0.029 nan 8.250 nan 0.000 0.451 97 V N 5.719 125.524 119.914 -0.183 0.000 2.521 97 V HA 0.039 4.160 4.120 0.001 0.000 0.286 97 V C -2.036 173.919 176.094 -0.231 0.000 1.034 97 V CA -1.502 60.563 62.300 -0.391 0.000 1.045 97 V CB 0.647 32.173 31.823 -0.496 0.000 0.974 97 V HN 0.153 nan 8.190 nan 0.000 0.480 98 P HA 0.240 nan 4.420 nan 0.000 0.264 98 P C 0.061 177.215 177.300 -0.245 0.000 1.183 98 P CA 0.553 63.562 63.100 -0.152 0.000 0.763 98 P CB 0.724 32.379 31.700 -0.075 0.000 0.807 99 G N 2.848 111.423 108.800 -0.374 0.000 2.220 99 G HA2 0.142 4.102 3.960 0.001 0.000 0.232 99 G HA3 0.142 4.102 3.960 0.001 0.000 0.232 99 G C -0.055 174.340 174.900 -0.842 0.000 1.680 99 G CA -0.386 44.206 45.100 -0.848 0.000 0.922 99 G HN 0.503 nan 8.290 nan 0.000 0.723 100 D N 0.225 120.183 120.400 -0.737 0.000 2.340 100 D HA 0.167 4.807 4.640 0.001 0.000 0.220 100 D C 0.844 176.966 176.300 -0.298 0.000 1.039 100 D CA 0.163 53.935 54.000 -0.381 0.000 0.866 100 D CB -0.182 40.514 40.800 -0.174 0.000 0.913 100 D HN 0.421 nan 8.370 nan 0.000 0.523 101 F N 0.394 120.333 119.950 -0.018 0.000 2.375 101 F HA 0.758 5.286 4.527 0.001 0.000 0.317 101 F C 0.535 176.325 175.800 -0.017 0.000 1.124 101 F CA -2.436 55.554 58.000 -0.015 0.000 1.050 101 F CB 0.041 39.032 39.000 -0.015 0.000 1.314 101 F HN -0.073 nan 8.300 nan 0.000 0.511 102 A N 1.275 124.257 122.820 0.269 0.000 2.440 102 A HA 0.494 4.814 4.320 0.001 0.000 0.251 102 A C -0.194 177.533 177.584 0.238 0.000 1.089 102 A CA -0.668 51.468 52.037 0.165 0.000 0.779 102 A CB -0.110 18.950 19.000 0.101 0.000 1.022 102 A HN 0.785 nan 8.150 nan 0.000 0.492 103 K N 1.546 122.035 120.400 0.149 0.000 2.350 103 K HA 0.628 4.948 4.320 0.001 0.000 0.241 103 K C -0.917 175.730 176.600 0.078 0.000 0.994 103 K CA -0.837 55.536 56.287 0.143 0.000 0.839 103 K CB 2.271 34.845 32.500 0.124 0.000 1.244 103 K HN 0.636 nan 8.250 nan 0.000 0.443 104 K N 0.711 121.151 120.400 0.068 0.000 2.426 104 K HA 0.420 4.740 4.320 0.001 0.000 0.251 104 K C -1.163 175.472 176.600 0.059 0.000 0.941 104 K CA -0.687 55.633 56.287 0.055 0.000 0.808 104 K CB 2.482 35.010 32.500 0.047 0.000 1.265 104 K HN 0.488 nan 8.250 nan 0.000 0.432 105 T N 2.032 116.623 114.554 0.063 0.000 2.841 105 T HA 0.406 4.757 4.350 0.001 0.000 0.283 105 T C -1.266 173.472 174.700 0.062 0.000 1.000 105 T CA -0.660 61.487 62.100 0.079 0.000 0.977 105 T CB 1.069 69.994 68.868 0.095 0.000 0.979 105 T HN 0.360 nan 8.240 nan 0.000 0.446 106 L N 4.090 125.336 121.223 0.038 0.000 2.329 106 L HA 0.713 5.053 4.340 0.001 0.000 0.279 106 L C -1.535 175.290 176.870 -0.075 0.000 1.014 106 L CA -0.537 54.314 54.840 0.018 0.000 0.814 106 L CB 0.839 42.904 42.059 0.010 0.000 1.257 106 L HN 0.582 nan 8.230 nan 0.000 0.424 107 L N 6.122 127.259 121.223 -0.143 0.000 2.322 107 L HA 0.710 5.051 4.340 0.001 0.000 0.281 107 L C 0.086 176.896 176.870 -0.101 0.000 1.014 107 L CA -0.761 53.916 54.840 -0.272 0.000 0.815 107 L CB 1.665 43.283 42.059 -0.735 0.000 1.247 107 L HN 0.703 nan 8.230 nan 0.000 0.421 108 V N -0.206 119.650 119.914 -0.096 0.000 4.781 108 V HA 0.588 4.708 4.120 0.001 0.000 0.288 108 V C 0.332 176.437 176.094 0.019 0.000 1.442 108 V CA -0.116 62.180 62.300 -0.007 0.000 0.846 108 V CB 1.485 33.290 31.823 -0.030 0.000 1.330 108 V HN 0.710 nan 8.190 nan 0.000 0.450 109 T N 0.341 114.922 114.554 0.045 0.000 3.115 109 T HA 0.271 4.621 4.350 0.001 0.000 0.256 109 T C 0.633 175.361 174.700 0.047 0.000 0.970 109 T CA 0.883 63.028 62.100 0.075 0.000 1.010 109 T CB 0.208 69.166 68.868 0.151 0.000 1.151 109 T HN 1.095 nan 8.240 nan 0.000 0.479 110 T N -0.856 113.718 114.554 0.033 0.000 2.932 110 T HA 0.626 4.977 4.350 0.001 0.000 0.289 110 T C 1.580 176.282 174.700 0.004 0.000 1.039 110 T CA -0.026 62.091 62.100 0.028 0.000 1.024 110 T CB 1.689 70.582 68.868 0.041 0.000 1.090 110 T HN 0.054 nan 8.240 nan 0.000 0.496 111 G N 1.040 109.852 108.800 0.020 0.000 2.469 111 G HA2 -0.199 3.761 3.960 0.001 0.000 0.220 111 G HA3 -0.199 3.761 3.960 0.001 0.000 0.220 111 G C 1.586 176.499 174.900 0.022 0.000 1.136 111 G CA 1.059 46.172 45.100 0.023 0.000 0.759 111 G HN 0.730 nan 8.290 nan 0.000 0.562 112 S N 0.428 116.144 115.700 0.026 0.000 2.368 112 S HA -0.098 4.372 4.470 0.001 0.000 0.225 112 S C 2.150 176.761 174.600 0.018 0.000 1.030 112 S CA 1.427 59.638 58.200 0.019 0.000 0.999 112 S CB -0.239 62.969 63.200 0.014 0.000 0.844 112 S HN 0.599 nan 8.310 nan 0.000 0.459 113 E N 1.160 121.366 120.200 0.010 0.000 2.077 113 E HA -0.119 4.231 4.350 0.001 0.000 0.193 113 E C 2.408 178.992 176.600 -0.027 0.000 0.989 113 E CA 0.988 57.388 56.400 0.000 0.000 0.800 113 E CB -0.270 29.434 29.700 0.006 0.000 0.746 113 E HN 0.508 nan 8.360 nan 0.000 0.452 114 A N 1.024 123.810 122.820 -0.057 0.000 1.883 114 A HA -0.170 4.150 4.320 0.001 0.000 0.217 114 A C 2.534 180.086 177.584 -0.052 0.000 1.186 114 A CA 1.429 53.405 52.037 -0.103 0.000 0.624 114 A CB -0.795 18.098 19.000 -0.178 0.000 0.822 114 A HN 0.120 nan 8.150 nan 0.000 0.444 115 V N 0.308 120.215 119.914 -0.011 0.000 2.295 115 V HA -0.245 3.876 4.120 0.001 0.000 0.246 115 V C 2.553 178.655 176.094 0.014 0.000 1.049 115 V CA 2.134 64.440 62.300 0.011 0.000 1.024 115 V CB -0.832 31.015 31.823 0.041 0.000 0.648 115 V HN 0.541 nan 8.190 nan 0.000 0.447 116 E N 0.428 120.641 120.200 0.022 0.000 2.070 116 E HA -0.239 4.111 4.350 0.001 0.000 0.197 116 E C 2.113 178.684 176.600 -0.049 0.000 1.004 116 E CA 1.509 57.910 56.400 0.002 0.000 0.805 116 E CB -0.446 29.257 29.700 0.006 0.000 0.744 116 E HN 0.620 nan 8.360 nan 0.000 0.451 117 N N 0.397 119.073 118.700 -0.040 0.000 2.270 117 N HA -0.083 4.657 4.740 0.001 0.000 0.181 117 N C 1.810 177.293 175.510 -0.044 0.000 1.016 117 N CA 0.963 53.986 53.050 -0.046 0.000 0.870 117 N CB -0.074 38.388 38.487 -0.041 0.000 0.979 117 N HN 0.095 nan 8.380 nan 0.000 0.431 118 A N 1.034 123.832 122.820 -0.037 0.000 1.877 118 A HA -0.094 4.226 4.320 0.001 0.000 0.216 118 A C 2.533 180.103 177.584 -0.023 0.000 1.186 118 A CA 1.287 53.309 52.037 -0.025 0.000 0.620 118 A CB -0.773 18.219 19.000 -0.013 0.000 0.822 118 A HN 0.089 nan 8.150 nan 0.000 0.443 119 V N 0.544 120.441 119.914 -0.028 0.000 2.295 119 V HA -0.273 3.847 4.120 0.001 0.000 0.246 119 V C 2.460 178.508 176.094 -0.077 0.000 1.049 119 V CA 2.234 64.512 62.300 -0.036 0.000 1.024 119 V CB -0.712 31.088 31.823 -0.039 0.000 0.648 119 V HN 0.524 nan 8.190 nan 0.000 0.447 120 K N -0.097 120.240 120.400 -0.105 0.000 2.044 120 K HA -0.194 4.126 4.320 0.001 0.000 0.210 120 K C 2.076 178.641 176.600 -0.059 0.000 1.049 120 K CA 1.878 58.106 56.287 -0.099 0.000 0.927 120 K CB -0.504 31.943 32.500 -0.088 0.000 0.713 120 K HN 0.401 nan 8.250 nan 0.000 0.443 121 I N 1.151 121.695 120.570 -0.044 0.000 2.179 121 I HA -0.269 3.901 4.170 0.001 0.000 0.242 121 I C 2.562 178.663 176.117 -0.027 0.000 1.088 121 I CA 1.194 62.476 61.300 -0.030 0.000 1.357 121 I CB -0.379 37.607 38.000 -0.024 0.000 1.051 121 I HN 0.138 nan 8.210 nan 0.000 0.409 122 A N 0.593 123.399 122.820 -0.022 0.000 1.972 122 A HA -0.185 4.135 4.320 0.001 0.000 0.219 122 A C 2.364 179.940 177.584 -0.013 0.000 1.169 122 A CA 1.396 53.426 52.037 -0.013 0.000 0.635 122 A CB -0.508 18.494 19.000 0.004 0.000 0.810 122 A HN 0.333 nan 8.150 nan 0.000 0.446 123 R N -0.652 119.835 120.500 -0.021 0.000 2.073 123 R HA 0.011 4.351 4.340 0.001 0.000 0.229 123 R C 2.486 178.771 176.300 -0.024 0.000 1.120 123 R CA 1.112 57.199 56.100 -0.021 0.000 0.967 123 R CB -0.401 29.877 30.300 -0.037 0.000 0.862 123 R HN 0.484 nan 8.270 nan 0.000 0.436 124 A N 1.164 123.967 122.820 -0.028 0.000 1.930 124 A HA -0.057 4.264 4.320 0.001 0.000 0.217 124 A C 2.305 179.875 177.584 -0.024 0.000 1.175 124 A CA 1.588 53.609 52.037 -0.026 0.000 0.627 124 A CB -0.476 18.508 19.000 -0.026 0.000 0.815 124 A HN 0.385 nan 8.150 nan 0.000 0.443 125 A N -0.497 122.308 122.820 -0.025 0.000 1.929 125 A HA -0.021 4.299 4.320 0.001 0.000 0.216 125 A C 2.335 179.903 177.584 -0.026 0.000 1.176 125 A CA 2.250 54.270 52.037 -0.028 0.000 0.628 125 A CB -0.939 18.041 19.000 -0.033 0.000 0.816 125 A HN 0.736 nan 8.150 nan 0.000 0.444 126 T N -4.421 110.120 114.554 -0.022 0.000 3.044 126 T HA 0.189 4.539 4.350 0.001 0.000 0.250 126 T C 0.593 175.282 174.700 -0.019 0.000 1.081 126 T CA 0.572 62.660 62.100 -0.020 0.000 1.040 126 T CB -0.260 68.601 68.868 -0.012 0.000 0.962 126 T HN 0.431 nan 8.240 nan 0.000 0.506 127 K N 1.109 121.497 120.400 -0.019 0.000 3.150 127 K HA -0.154 4.166 4.320 0.001 0.000 0.267 127 K C -0.483 176.106 176.600 -0.018 0.000 1.028 127 K CA 0.348 56.623 56.287 -0.019 0.000 0.753 127 K CB -1.095 31.393 32.500 -0.020 0.000 1.288 127 K HN 0.579 nan 8.250 nan 0.000 0.473 128 R N -1.260 119.233 120.500 -0.013 0.000 2.837 128 R HA 0.387 4.728 4.340 0.001 0.000 0.271 128 R C 0.428 176.731 176.300 0.004 0.000 0.993 128 R CA -0.808 55.287 56.100 -0.009 0.000 0.931 128 R CB 1.594 31.891 30.300 -0.006 0.000 1.206 128 R HN -0.047 nan 8.270 nan 0.000 0.474 129 S N -0.502 115.205 115.700 0.011 0.000 2.514 129 S HA 0.147 4.617 4.470 0.001 0.000 0.223 129 S C 0.677 175.341 174.600 0.107 0.000 1.046 129 S CA 0.047 58.269 58.200 0.038 0.000 0.914 129 S CB 0.845 64.055 63.200 0.018 0.000 0.807 129 S HN 0.723 nan 8.310 nan 0.000 0.497 130 G N 1.790 110.665 108.800 0.125 0.000 2.507 130 G HA2 0.506 4.466 3.960 0.001 0.000 0.271 130 G HA3 0.506 4.466 3.960 0.001 0.000 0.271 130 G C -0.310 174.730 174.900 0.233 0.000 1.189 130 G CA -0.131 45.118 45.100 0.248 0.000 0.859 130 G HN 0.314 nan 8.290 nan 0.000 0.542 131 T N -2.101 112.623 114.554 0.284 0.000 2.883 131 T HA 0.682 5.033 4.350 0.001 0.000 0.301 131 T C -0.632 174.187 174.700 0.198 0.000 1.158 131 T CA -0.764 61.461 62.100 0.208 0.000 1.007 131 T CB 1.679 70.669 68.868 0.202 0.000 1.186 131 T HN 0.382 nan 8.240 nan 0.000 0.499 132 I N 1.371 122.009 120.570 0.113 0.000 2.509 132 I HA 0.730 4.901 4.170 0.001 0.000 0.293 132 I C 0.073 176.171 176.117 -0.031 0.000 1.020 132 I CA -1.080 60.233 61.300 0.023 0.000 1.088 132 I CB 1.829 39.783 38.000 -0.076 0.000 1.267 132 I HN 1.066 nan 8.210 nan 0.000 0.430 133 A N 5.254 128.022 122.820 -0.087 0.000 2.485 133 A HA 0.883 5.204 4.320 0.001 0.000 0.292 133 A C -1.405 176.123 177.584 -0.094 0.000 1.147 133 A CA -0.418 51.641 52.037 0.036 0.000 0.750 133 A CB 1.210 20.272 19.000 0.103 0.000 1.331 133 A HN 0.467 nan 8.150 nan 0.000 0.419 134 F N 0.607 120.681 119.950 0.207 0.000 2.440 134 F HA 0.513 5.041 4.527 0.001 0.000 0.328 134 F C 1.352 177.238 175.800 0.143 0.000 1.070 134 F CA -0.194 57.927 58.000 0.202 0.000 1.011 134 F CB 1.620 40.834 39.000 0.357 0.000 1.226 134 F HN 0.576 nan 8.300 nan 0.000 0.491 135 S N 0.129 116.009 115.700 0.299 0.000 2.549 135 S HA 0.397 4.867 4.470 0.001 0.000 0.286 135 S C 0.986 175.663 174.600 0.130 0.000 1.314 135 S CA -0.096 58.198 58.200 0.158 0.000 1.062 135 S CB 0.491 63.765 63.200 0.123 0.000 0.865 135 S HN 1.558 nan 8.310 nan 0.000 0.498 136 G N 1.232 110.058 108.800 0.042 0.000 2.162 136 G HA2 -0.067 3.894 3.960 0.001 0.000 0.260 136 G HA3 -0.067 3.894 3.960 0.001 0.000 0.260 136 G C 0.340 175.242 174.900 0.003 0.000 0.976 136 G CA 0.105 45.199 45.100 -0.010 0.000 0.655 136 G HN 1.611 nan 8.290 nan 0.000 0.533 137 A N -0.670 122.179 122.820 0.049 0.000 2.332 137 A HA 0.697 5.018 4.320 0.001 0.000 0.258 137 A C -0.420 177.125 177.584 -0.064 0.000 1.087 137 A CA 0.100 52.128 52.037 -0.014 0.000 0.802 137 A CB 0.761 19.840 19.000 0.133 0.000 1.042 137 A HN 1.460 nan 8.150 nan 0.000 0.489 138 Y N 0.581 120.640 120.300 -0.402 0.000 2.354 138 Y HA 0.502 5.053 4.550 0.001 0.000 0.330 138 Y C 0.095 175.670 175.900 -0.541 0.000 1.011 138 Y CA -0.499 57.420 58.100 -0.301 0.000 1.099 138 Y CB 1.463 39.848 38.460 -0.125 0.000 1.179 138 Y HN 0.782 nan 8.280 nan 0.000 0.442 139 H N 3.555 122.277 119.070 -0.580 0.000 3.398 139 H HA 0.463 5.019 4.556 0.001 0.000 0.260 139 H C 0.457 175.554 175.328 -0.385 0.000 1.189 139 H CA 0.372 56.232 56.048 -0.312 0.000 1.145 139 H CB 1.268 30.953 29.762 -0.127 0.000 1.599 139 H HN 0.853 nan 8.280 nan 0.000 0.615 140 G N 0.920 109.294 108.800 -0.711 0.000 2.347 140 G HA2 -0.069 3.892 3.960 0.001 0.000 0.477 140 G HA3 -0.069 3.892 3.960 0.001 0.000 0.477 140 G C -0.453 174.240 174.900 -0.345 0.000 1.349 140 G CA -1.027 43.859 45.100 -0.356 0.000 1.000 140 G HN 0.142 nan 8.290 nan 0.000 0.605 141 R N 0.111 120.502 120.500 -0.182 0.000 2.633 141 R HA 0.238 4.578 4.340 0.001 0.000 0.348 141 R C 0.867 177.118 176.300 -0.081 0.000 1.100 141 R CA 0.387 56.388 56.100 -0.166 0.000 1.068 141 R CB 0.568 30.770 30.300 -0.163 0.000 1.351 141 R HN 0.760 nan 8.270 nan 0.000 0.575 142 T N -3.125 111.411 114.554 -0.030 0.000 2.918 142 T HA 0.155 4.505 4.350 0.001 0.000 0.283 142 T C 1.064 175.805 174.700 0.067 0.000 1.001 142 T CA -0.544 61.587 62.100 0.052 0.000 1.041 142 T CB 1.383 70.305 68.868 0.090 0.000 1.028 142 T HN 0.120 nan 8.240 nan 0.000 0.511 143 H N -0.247 118.842 119.070 0.033 0.000 2.265 143 H HA -0.115 4.441 4.556 0.001 0.000 0.293 143 H C 1.648 176.997 175.328 0.033 0.000 1.089 143 H CA 2.833 58.900 56.048 0.031 0.000 1.244 143 H CB -0.558 29.231 29.762 0.045 0.000 1.355 143 H HN 0.766 nan 8.280 nan 0.000 0.485 144 Y N 1.090 121.455 120.300 0.110 0.000 2.224 144 Y HA -0.241 4.310 4.550 0.001 0.000 0.289 144 Y C 2.691 178.594 175.900 0.004 0.000 1.146 144 Y CA 1.835 59.958 58.100 0.038 0.000 1.182 144 Y CB -0.374 38.097 38.460 0.019 0.000 0.983 144 Y HN 0.386 nan 8.280 nan 0.000 0.524 145 T N -2.009 112.590 114.554 0.076 0.000 2.995 145 T HA -0.126 4.224 4.350 0.001 0.000 0.269 145 T C 1.958 176.598 174.700 -0.100 0.000 1.091 145 T CA 1.196 63.288 62.100 -0.014 0.000 1.128 145 T CB -0.648 68.218 68.868 -0.003 0.000 0.891 145 T HN 0.362 nan 8.240 nan 0.000 0.492 146 L N 0.607 121.772 121.223 -0.097 0.000 2.093 146 L HA 0.089 4.430 4.340 0.001 0.000 0.208 146 L C 3.231 180.050 176.870 -0.086 0.000 1.085 146 L CA 1.105 55.895 54.840 -0.084 0.000 0.755 146 L CB -0.650 41.368 42.059 -0.069 0.000 0.904 146 L HN 0.384 nan 8.230 nan 0.000 0.435 147 A N -0.050 122.674 122.820 -0.160 0.000 1.930 147 A HA -0.127 4.194 4.320 0.001 0.000 0.217 147 A C 2.197 179.653 177.584 -0.214 0.000 1.175 147 A CA 1.161 53.068 52.037 -0.217 0.000 0.627 147 A CB -0.482 18.308 19.000 -0.350 0.000 0.815 147 A HN 0.354 nan 8.150 nan 0.000 0.443 148 L N -0.378 120.707 121.223 -0.229 0.000 2.109 148 L HA -0.045 4.295 4.340 0.001 0.000 0.207 148 L C 0.782 177.724 176.870 0.120 0.000 1.086 148 L CA 0.494 55.280 54.840 -0.089 0.000 0.760 148 L CB -0.715 41.279 42.059 -0.109 0.000 0.910 148 L HN 0.171 nan 8.230 nan 0.000 0.437 149 T N 0.693 115.283 114.554 0.059 0.000 2.902 149 T HA 0.152 4.503 4.350 0.001 0.000 0.301 149 T C 0.713 175.445 174.700 0.054 0.000 1.012 149 T CA 0.015 62.133 62.100 0.029 0.000 1.151 149 T CB 0.885 69.710 68.868 -0.071 0.000 0.946 149 T HN 0.347 nan 8.240 nan 0.000 0.542 150 G N 3.416 112.256 108.800 0.067 0.000 3.343 150 G HA2 0.457 4.418 3.960 0.001 0.000 0.279 150 G HA3 0.457 4.418 3.960 0.001 0.000 0.279 150 G C -0.185 174.724 174.900 0.014 0.000 0.919 150 G CA -0.348 44.777 45.100 0.041 0.000 1.812 150 G HN 0.647 nan 8.290 nan 0.000 0.584 151 K N 1.749 122.154 120.400 0.008 0.000 2.560 151 K HA 0.134 4.454 4.320 0.001 0.000 0.276 151 K C -0.223 176.325 176.600 -0.088 0.000 1.025 151 K CA -0.647 55.602 56.287 -0.065 0.000 0.974 151 K CB 0.985 33.440 32.500 -0.075 0.000 1.347 151 K HN -0.017 nan 8.250 nan 0.000 0.447 152 V N 1.948 121.797 119.914 -0.108 0.000 2.341 152 V HA -0.014 4.107 4.120 0.001 0.000 0.240 152 V C 0.893 176.896 176.094 -0.151 0.000 1.035 152 V CA 1.021 63.268 62.300 -0.087 0.000 1.033 152 V CB -0.441 31.347 31.823 -0.057 0.000 0.678 152 V HN 0.767 nan 8.190 nan 0.000 0.464 153 N N 1.700 120.296 118.700 -0.174 0.000 2.499 153 N HA 0.175 4.916 4.740 0.001 0.000 0.281 153 N C -1.648 173.654 175.510 -0.347 0.000 1.098 153 N CA -1.561 51.382 53.050 -0.178 0.000 0.979 153 N CB 1.623 40.054 38.487 -0.092 0.000 1.121 153 N HN 0.051 nan 8.380 nan 0.000 0.466 154 P HA 0.015 nan 4.420 nan 0.000 0.257 154 P C 0.473 177.796 177.300 0.039 0.000 1.241 154 P CA 0.502 63.542 63.100 -0.100 0.000 0.816 154 P CB 0.057 31.738 31.700 -0.032 0.000 1.150 155 Y N 1.254 121.560 120.300 0.010 0.000 2.181 155 Y HA -0.183 4.368 4.550 0.001 0.000 0.284 155 Y C 1.938 177.815 175.900 -0.037 0.000 1.179 155 Y CA 0.939 59.037 58.100 -0.004 0.000 1.179 155 Y CB -0.875 37.590 38.460 0.009 0.000 0.973 155 Y HN 0.039 nan 8.280 nan 0.000 0.519 156 S N -0.932 114.824 115.700 0.094 0.000 2.559 156 S HA 0.374 4.845 4.470 0.001 0.000 0.226 156 S C 0.760 175.362 174.600 0.002 0.000 1.000 156 S CA -0.171 58.041 58.200 0.021 0.000 0.948 156 S CB 0.276 63.476 63.200 0.000 0.000 0.870 156 S HN 0.336 nan 8.310 nan 0.000 0.497 157 A N 1.411 124.233 122.820 0.002 0.000 2.584 157 A HA 0.428 4.748 4.320 0.001 0.000 0.239 157 A C 1.645 179.229 177.584 -0.001 0.000 1.043 157 A CA 0.789 52.823 52.037 -0.005 0.000 0.756 157 A CB -0.899 18.096 19.000 -0.009 0.000 0.963 157 A HN 1.178 nan 8.150 nan 0.000 0.511 158 G N 1.781 110.579 108.800 -0.002 0.000 2.257 158 G HA2 -0.379 3.581 3.960 0.001 0.000 0.267 158 G HA3 -0.379 3.581 3.960 0.001 0.000 0.267 158 G C 0.943 175.845 174.900 0.004 0.000 0.984 158 G CA 1.149 46.249 45.100 0.001 0.000 0.626 158 G HN 0.718 nan 8.290 nan 0.000 0.540 159 M N 0.110 119.710 119.600 0.001 0.000 2.388 159 M HA 0.362 4.843 4.480 0.001 0.000 0.265 159 M C 1.641 177.948 176.300 0.012 0.000 1.088 159 M CA 1.547 56.850 55.300 0.005 0.000 1.134 159 M CB -0.020 32.570 32.600 -0.017 0.000 1.384 159 M HN 1.428 nan 8.290 nan 0.000 0.447 160 G N 0.706 109.508 108.800 0.004 0.000 2.549 160 G HA2 -0.156 3.805 3.960 0.001 0.000 0.404 160 G HA3 -0.156 3.805 3.960 0.001 0.000 0.404 160 G C -0.859 174.041 174.900 0.000 0.000 1.292 160 G CA -1.114 43.990 45.100 0.005 0.000 0.935 160 G HN 0.207 nan 8.290 nan 0.000 0.512 161 L N 0.933 122.154 121.223 -0.003 0.000 2.416 161 L HA 0.340 4.680 4.340 0.001 0.000 0.272 161 L C 1.468 178.337 176.870 -0.001 0.000 1.161 161 L CA -0.661 54.171 54.840 -0.014 0.000 0.845 161 L CB 0.622 42.664 42.059 -0.027 0.000 1.119 161 L HN 0.518 nan 8.230 nan 0.000 0.464 162 M N 2.871 122.461 119.600 -0.017 0.000 2.114 162 M HA 0.286 4.766 4.480 0.001 0.000 0.293 162 M C -1.886 174.400 176.300 -0.023 0.000 1.201 162 M CA -1.902 53.401 55.300 0.004 0.000 1.107 162 M CB -0.789 31.788 32.600 -0.040 0.000 1.405 162 M HN 0.254 nan 8.290 nan 0.000 0.486 163 P HA 0.050 nan 4.420 nan 0.000 0.261 163 P C 0.110 177.326 177.300 -0.140 0.000 1.173 163 P CA 0.263 63.346 63.100 -0.030 0.000 0.760 163 P CB 0.127 31.878 31.700 0.086 0.000 0.783 164 G N 1.375 110.046 108.800 -0.214 0.000 2.516 164 G HA2 0.088 4.048 3.960 0.001 0.000 0.276 164 G HA3 0.088 4.048 3.960 0.001 0.000 0.276 164 G C -0.402 174.300 174.900 -0.331 0.000 1.390 164 G CA -0.541 44.341 45.100 -0.364 0.000 1.050 164 G HN 0.788 nan 8.290 nan 0.000 0.519 165 H N -3.440 115.486 119.070 -0.241 0.000 2.770 165 H HA -0.132 4.425 4.556 0.001 0.000 0.309 165 H C -0.726 174.402 175.328 -0.333 0.000 1.206 165 H CA 0.029 55.923 56.048 -0.255 0.000 1.147 165 H CB -1.707 28.091 29.762 0.060 0.000 1.422 165 H HN 0.247 nan 8.280 nan 0.000 0.420 166 V N 1.440 121.021 119.914 -0.555 0.000 2.525 166 V HA 0.351 4.471 4.120 0.001 0.000 0.299 166 V C -0.323 175.410 176.094 -0.601 0.000 1.034 166 V CA -0.778 61.294 62.300 -0.380 0.000 0.863 166 V CB 1.102 32.725 31.823 -0.333 0.000 0.999 166 V HN 0.198 nan 8.190 nan 0.000 0.423 167 Y N 2.902 123.181 120.300 -0.035 0.000 2.409 167 Y HA 0.747 5.298 4.550 0.001 0.000 0.339 167 Y C 0.289 176.119 175.900 -0.116 0.000 1.033 167 Y CA -0.942 57.122 58.100 -0.061 0.000 1.094 167 Y CB 1.513 39.941 38.460 -0.054 0.000 1.210 167 Y HN 0.510 nan 8.280 nan 0.000 0.456 168 R N 1.886 122.391 120.500 0.008 0.000 2.229 168 R HA 0.758 5.098 4.340 0.001 0.000 0.328 168 R C -1.041 175.180 176.300 -0.132 0.000 1.009 168 R CA -0.290 55.769 56.100 -0.068 0.000 0.864 168 R CB 0.326 30.606 30.300 -0.034 0.000 1.085 168 R HN 0.812 nan 8.270 nan 0.000 0.453 169 A N 4.494 127.134 122.820 -0.300 0.000 2.322 169 A HA 0.597 4.917 4.320 0.001 0.000 0.327 169 A C -0.910 176.587 177.584 -0.144 0.000 1.134 169 A CA -0.836 50.981 52.037 -0.367 0.000 0.831 169 A CB 0.912 19.428 19.000 -0.808 0.000 1.288 169 A HN 0.672 nan 8.150 nan 0.000 0.472 170 L N 1.336 122.587 121.223 0.047 0.000 2.290 170 L HA 0.238 4.578 4.340 0.001 0.000 0.284 170 L C -0.568 176.556 176.870 0.423 0.000 1.078 170 L CA -0.333 54.628 54.840 0.202 0.000 0.815 170 L CB 0.576 42.696 42.059 0.103 0.000 1.162 170 L HN 0.762 nan 8.230 nan 0.000 0.435 171 Y N 6.351 126.839 120.300 0.313 0.000 2.442 171 Y HA 0.162 4.712 4.550 0.001 0.000 0.330 171 Y C -1.735 174.076 175.900 -0.148 0.000 1.129 171 Y CA -1.647 56.499 58.100 0.076 0.000 1.365 171 Y CB 0.750 39.214 38.460 0.007 0.000 1.233 171 Y HN 0.362 nan 8.280 nan 0.000 0.529 172 P HA 0.024 nan 4.420 nan 0.000 0.267 172 P C -0.905 176.255 177.300 -0.234 0.000 1.205 172 P CA 0.071 62.860 63.100 -0.520 0.000 0.765 172 P CB 0.738 31.831 31.700 -1.012 0.000 0.828 173 C N 6.191 125.403 119.300 -0.146 0.000 3.280 173 C HA 0.272 4.732 4.460 0.001 0.000 0.334 173 C C -1.749 173.176 174.990 -0.108 0.000 0.977 173 C CA -1.310 57.623 59.018 -0.142 0.000 1.264 173 C CB -0.048 27.540 27.740 -0.252 0.000 1.688 173 C HN 0.362 nan 8.230 nan 0.000 0.592 174 P HA -0.163 nan 4.420 nan 0.000 0.215 174 P C 1.707 178.937 177.300 -0.116 0.000 1.157 174 P CA 1.140 64.194 63.100 -0.076 0.000 0.874 174 P CB 0.070 31.736 31.700 -0.057 0.000 0.790 175 L N -1.229 119.891 121.223 -0.171 0.000 2.197 175 L HA -0.184 4.156 4.340 0.001 0.000 0.215 175 L C 1.077 177.666 176.870 -0.469 0.000 1.095 175 L CA 2.087 56.727 54.840 -0.333 0.000 0.764 175 L CB -1.114 40.749 42.059 -0.327 0.000 0.897 175 L HN 0.172 nan 8.230 nan 0.000 0.436 176 H N -1.055 117.959 119.070 -0.094 0.000 2.492 176 H HA 0.395 4.951 4.556 0.001 0.000 0.264 176 H C 1.431 176.729 175.328 -0.050 0.000 1.150 176 H CA 0.276 56.288 56.048 -0.060 0.000 0.962 176 H CB 0.057 29.795 29.762 -0.041 0.000 1.766 176 H HN 0.320 nan 8.280 nan 0.000 0.589 177 G N 1.282 110.094 108.800 0.020 0.000 2.168 177 G HA2 -0.265 3.696 3.960 0.001 0.000 0.263 177 G HA3 -0.265 3.696 3.960 0.001 0.000 0.263 177 G C 0.229 175.135 174.900 0.010 0.000 0.977 177 G CA 0.105 45.214 45.100 0.014 0.000 0.659 177 G HN 0.285 nan 8.290 nan 0.000 0.533 178 I N 2.497 123.068 120.570 0.001 0.000 2.306 178 I HA 0.373 4.543 4.170 0.001 0.000 0.288 178 I C 1.156 177.250 176.117 -0.038 0.000 1.036 178 I CA -0.541 60.754 61.300 -0.009 0.000 1.221 178 I CB 0.439 38.435 38.000 -0.006 0.000 1.385 178 I HN 0.342 nan 8.210 nan 0.000 0.472 179 S N 4.614 120.303 115.700 -0.019 0.000 2.645 179 S HA 0.290 4.760 4.470 0.001 0.000 0.266 179 S C 0.935 175.520 174.600 -0.025 0.000 1.258 179 S CA -0.492 57.696 58.200 -0.020 0.000 0.990 179 S CB 1.610 64.815 63.200 0.008 0.000 0.967 179 S HN 0.588 nan 8.310 nan 0.000 0.556 180 E N 0.258 120.457 120.200 -0.001 0.000 2.150 180 E HA -0.136 4.215 4.350 0.001 0.000 0.193 180 E C 1.055 177.750 176.600 0.158 0.000 0.985 180 E CA 1.139 57.584 56.400 0.076 0.000 0.814 180 E CB -0.138 29.655 29.700 0.155 0.000 0.752 180 E HN 0.622 nan 8.360 nan 0.000 0.466 181 D N 0.855 121.318 120.400 0.105 0.000 2.144 181 D HA -0.135 4.505 4.640 0.001 0.000 0.200 181 D C 1.466 177.830 176.300 0.106 0.000 0.978 181 D CA 0.868 54.932 54.000 0.108 0.000 0.833 181 D CB -0.174 40.670 40.800 0.074 0.000 0.961 181 D HN 0.116 nan 8.370 nan 0.000 0.470 182 D N 0.496 120.941 120.400 0.075 0.000 2.097 182 D HA -0.105 4.536 4.640 0.001 0.000 0.195 182 D C 2.032 178.384 176.300 0.086 0.000 0.989 182 D CA 1.251 55.290 54.000 0.065 0.000 0.827 182 D CB -0.294 40.529 40.800 0.038 0.000 0.966 182 D HN 0.126 nan 8.370 nan 0.000 0.456 183 A N 1.512 124.393 122.820 0.101 0.000 1.865 183 A HA -0.176 4.145 4.320 0.001 0.000 0.217 183 A C 2.250 179.971 177.584 0.228 0.000 1.191 183 A CA 1.095 53.236 52.037 0.173 0.000 0.623 183 A CB -0.632 18.438 19.000 0.116 0.000 0.826 183 A HN 0.125 nan 8.150 nan 0.000 0.444 184 I N -0.052 120.675 120.570 0.263 0.000 2.226 184 I HA -0.241 3.930 4.170 0.001 0.000 0.245 184 I C 2.936 179.107 176.117 0.091 0.000 1.100 184 I CA 1.472 62.861 61.300 0.149 0.000 1.374 184 I CB -1.605 36.494 38.000 0.166 0.000 1.057 184 I HN 0.380 nan 8.210 nan 0.000 0.413 185 A N 1.026 123.940 122.820 0.157 0.000 1.933 185 A HA -0.207 4.114 4.320 0.001 0.000 0.218 185 A C 2.493 180.118 177.584 0.068 0.000 1.175 185 A CA 2.132 54.273 52.037 0.173 0.000 0.628 185 A CB -0.795 18.275 19.000 0.116 0.000 0.814 185 A HN 0.565 nan 8.150 nan 0.000 0.444 186 S N -0.292 115.417 115.700 0.016 0.000 2.474 186 S HA -0.053 4.417 4.470 0.001 0.000 0.235 186 S C 1.736 176.235 174.600 -0.169 0.000 0.997 186 S CA 1.290 59.463 58.200 -0.045 0.000 0.949 186 S CB -0.636 62.550 63.200 -0.023 0.000 0.766 186 S HN 0.519 nan 8.310 nan 0.000 0.517 187 I N 0.801 121.208 120.570 -0.272 0.000 2.400 187 I HA -0.049 4.121 4.170 0.001 0.000 0.248 187 I C 2.681 178.338 176.117 -0.766 0.000 1.109 187 I CA 0.899 61.853 61.300 -0.577 0.000 1.425 187 I CB -0.550 37.075 38.000 -0.625 0.000 1.094 187 I HN 0.307 nan 8.210 nan 0.000 0.425 188 H N 0.900 119.776 119.070 -0.323 0.000 2.387 188 H HA -0.148 4.408 4.556 0.001 0.000 0.299 188 H C 2.281 177.552 175.328 -0.094 0.000 1.099 188 H CA 1.324 57.295 56.048 -0.128 0.000 1.315 188 H CB -0.298 29.477 29.762 0.022 0.000 1.380 188 H HN 0.267 nan 8.280 nan 0.000 0.513 189 R N 0.607 121.106 120.500 -0.002 0.000 2.091 189 R HA -0.104 4.236 4.340 0.001 0.000 0.238 189 R C 2.434 178.702 176.300 -0.054 0.000 1.136 189 R CA 1.183 57.278 56.100 -0.008 0.000 0.959 189 R CB -0.166 30.125 30.300 -0.015 0.000 0.856 189 R HN 0.219 nan 8.270 nan 0.000 0.437 190 I N -0.257 120.212 120.570 -0.167 0.000 2.179 190 I HA -0.292 3.879 4.170 0.001 0.000 0.242 190 I C 1.909 177.966 176.117 -0.101 0.000 1.088 190 I CA 1.427 62.612 61.300 -0.192 0.000 1.357 190 I CB -0.340 37.470 38.000 -0.318 0.000 1.051 190 I HN 0.202 nan 8.210 nan 0.000 0.409 191 F N 0.907 120.768 119.950 -0.149 0.000 2.161 191 F HA -0.284 4.244 4.527 0.001 0.000 0.300 191 F C 2.612 178.346 175.800 -0.111 0.000 1.089 191 F CA 0.941 58.845 58.000 -0.159 0.000 1.282 191 F CB -0.190 38.724 39.000 -0.144 0.000 1.010 191 F HN 0.009 nan 8.300 nan 0.000 0.485 192 K N 0.423 120.904 120.400 0.135 0.000 2.137 192 K HA -0.037 4.284 4.320 0.001 0.000 0.202 192 K C 1.438 178.053 176.600 0.025 0.000 1.052 192 K CA 1.140 57.467 56.287 0.068 0.000 0.961 192 K CB -0.089 32.453 32.500 0.069 0.000 0.741 192 K HN 0.077 nan 8.250 nan 0.000 0.452 193 N N -0.265 118.440 118.700 0.008 0.000 2.482 193 N HA 0.003 4.743 4.740 0.001 0.000 0.179 193 N C 0.332 175.836 175.510 -0.009 0.000 1.039 193 N CA 1.037 54.089 53.050 0.002 0.000 0.884 193 N CB 0.499 38.992 38.487 0.010 0.000 1.113 193 N HN 0.231 nan 8.380 nan 0.000 0.440 194 D N -0.288 120.076 120.400 -0.060 0.000 2.457 194 D HA 0.219 4.860 4.640 0.001 0.000 0.254 194 D C -0.094 176.065 176.300 -0.236 0.000 1.097 194 D CA 0.259 54.209 54.000 -0.084 0.000 0.870 194 D CB 1.556 42.358 40.800 0.003 0.000 1.253 194 D HN 0.037 nan 8.370 nan 0.000 0.500 195 A N 1.124 123.741 122.820 -0.339 0.000 2.497 195 A HA 0.621 4.941 4.320 0.001 0.000 0.280 195 A C -0.464 177.038 177.584 -0.137 0.000 1.065 195 A CA -0.484 51.348 52.037 -0.341 0.000 0.781 195 A CB 1.230 19.761 19.000 -0.781 0.000 1.289 195 A HN 0.078 nan 8.150 nan 0.000 0.415 196 A N 3.785 126.532 122.820 -0.121 0.000 2.448 196 A HA 0.587 4.908 4.320 0.001 0.000 0.239 196 A C -1.293 176.116 177.584 -0.293 0.000 1.080 196 A CA -0.772 51.163 52.037 -0.170 0.000 0.779 196 A CB -0.255 18.654 19.000 -0.151 0.000 1.026 196 A HN 0.531 nan 8.150 nan 0.000 0.499 197 P HA -0.224 nan 4.420 nan 0.000 0.216 197 P C 1.167 178.275 177.300 -0.320 0.000 1.153 197 P CA 1.719 64.324 63.100 -0.825 0.000 0.858 197 P CB -0.000 30.973 31.700 -1.210 0.000 0.789 198 E N -0.783 119.281 120.200 -0.226 0.000 2.455 198 E HA -0.189 4.162 4.350 0.001 0.000 0.202 198 E C 0.438 176.985 176.600 -0.089 0.000 1.045 198 E CA 1.121 57.449 56.400 -0.120 0.000 0.872 198 E CB -0.771 28.872 29.700 -0.094 0.000 0.792 198 E HN 0.332 nan 8.360 nan 0.000 0.542 199 D N 0.323 120.665 120.400 -0.096 0.000 2.469 199 D HA 0.173 4.814 4.640 0.001 0.000 0.215 199 D C -0.081 176.212 176.300 -0.013 0.000 1.154 199 D CA -0.217 53.748 54.000 -0.058 0.000 0.832 199 D CB 0.718 41.473 40.800 -0.075 0.000 1.008 199 D HN 0.110 nan 8.370 nan 0.000 0.506 200 I N 1.683 122.249 120.570 -0.006 0.000 2.328 200 I HA 0.236 4.407 4.170 0.001 0.000 0.287 200 I C 1.342 177.493 176.117 0.057 0.000 1.012 200 I CA -0.403 60.937 61.300 0.066 0.000 1.195 200 I CB 1.130 39.214 38.000 0.140 0.000 1.350 200 I HN -0.201 nan 8.210 nan 0.000 0.464 201 A N 5.492 128.352 122.820 0.066 0.000 1.897 201 A HA 0.482 4.802 4.320 0.001 0.000 0.215 201 A C 1.052 178.671 177.584 0.059 0.000 1.181 201 A CA 1.224 53.289 52.037 0.047 0.000 0.620 201 A CB 0.179 19.203 19.000 0.040 0.000 0.821 201 A HN 0.765 nan 8.150 nan 0.000 0.443 202 A N -1.635 121.236 122.820 0.085 0.000 2.610 202 A HA 0.677 4.997 4.320 0.001 0.000 0.291 202 A C -1.310 176.339 177.584 0.108 0.000 1.086 202 A CA -0.465 51.625 52.037 0.088 0.000 0.677 202 A CB 0.651 19.692 19.000 0.069 0.000 1.278 202 A HN 0.225 nan 8.150 nan 0.000 0.414 203 I N 1.483 122.123 120.570 0.117 0.000 2.410 203 I HA 0.393 4.564 4.170 0.001 0.000 0.286 203 I C -0.873 175.353 176.117 0.183 0.000 1.009 203 I CA -0.828 60.560 61.300 0.147 0.000 1.111 203 I CB 1.836 39.937 38.000 0.168 0.000 1.262 203 I HN 0.353 nan 8.210 nan 0.000 0.443 204 V N 7.664 127.688 119.914 0.183 0.000 2.407 204 V HA 0.519 4.639 4.120 0.001 0.000 0.278 204 V C -0.108 176.198 176.094 0.353 0.000 1.037 204 V CA -0.523 61.868 62.300 0.151 0.000 0.900 204 V CB 1.909 33.681 31.823 -0.085 0.000 0.983 204 V HN 0.558 nan 8.190 nan 0.000 0.459 205 I N 2.890 123.651 120.570 0.318 0.000 2.752 205 I HA 0.466 4.636 4.170 0.001 0.000 0.295 205 I C -0.606 175.682 176.117 0.285 0.000 1.219 205 I CA -0.492 61.012 61.300 0.340 0.000 1.030 205 I CB 2.681 40.782 38.000 0.167 0.000 1.259 205 I HN 0.648 nan 8.210 nan 0.000 0.423 206 E N 7.836 128.209 120.200 0.288 0.000 2.194 206 E HA 0.235 4.585 4.350 0.001 0.000 0.284 206 E C -1.953 174.766 176.600 0.200 0.000 1.035 206 E CA -1.505 55.014 56.400 0.198 0.000 0.836 206 E CB 1.275 31.027 29.700 0.087 0.000 1.070 206 E HN 0.391 nan 8.360 nan 0.000 0.401 207 P HA -0.127 nan 4.420 nan 0.000 0.218 207 P C -0.365 177.026 177.300 0.151 0.000 1.148 207 P CA 0.924 64.114 63.100 0.150 0.000 0.822 207 P CB 0.375 32.143 31.700 0.114 0.000 0.784 208 V N -0.058 119.898 119.914 0.071 0.000 2.532 208 V HA 0.150 4.270 4.120 0.001 0.000 0.294 208 V C -0.226 175.813 176.094 -0.092 0.000 1.036 208 V CA -0.834 61.458 62.300 -0.013 0.000 0.876 208 V CB 1.503 33.247 31.823 -0.130 0.000 1.012 208 V HN -0.090 nan 8.190 nan 0.000 0.432 209 Q N 2.176 121.882 119.800 -0.157 0.000 2.300 209 Q HA 0.265 4.606 4.340 0.001 0.000 0.280 209 Q C 1.168 177.132 176.000 -0.061 0.000 1.033 209 Q CA 0.660 56.355 55.803 -0.181 0.000 0.903 209 Q CB 1.628 30.160 28.738 -0.343 0.000 1.195 209 Q HN 0.918 nan 8.270 nan 0.000 0.386 210 G N 2.255 111.052 108.800 -0.006 0.000 2.670 210 G HA2 -0.157 3.803 3.960 0.001 0.000 0.219 210 G HA3 -0.157 3.803 3.960 0.001 0.000 0.219 210 G C 0.862 175.845 174.900 0.139 0.000 1.342 210 G CA -0.016 45.166 45.100 0.136 0.000 0.902 210 G HN 0.536 nan 8.290 nan 0.000 0.553 211 E N 1.106 121.304 120.200 -0.004 0.000 2.160 211 E HA -0.089 4.262 4.350 0.001 0.000 0.195 211 E C 2.551 179.114 176.600 -0.061 0.000 0.991 211 E CA 0.986 57.332 56.400 -0.090 0.000 0.810 211 E CB -0.864 28.699 29.700 -0.228 0.000 0.742 211 E HN 0.364 nan 8.360 nan 0.000 0.466 212 G N 0.016 108.799 108.800 -0.028 0.000 2.653 212 G HA2 0.028 3.988 3.960 0.001 0.000 0.212 212 G HA3 0.028 3.988 3.960 0.001 0.000 0.212 212 G C 1.023 175.912 174.900 -0.017 0.000 1.138 212 G CA 0.736 45.818 45.100 -0.030 0.000 0.782 212 G HN 0.445 nan 8.290 nan 0.000 0.535 213 G N -1.417 107.313 108.800 -0.116 0.000 2.148 213 G HA2 -0.095 3.866 3.960 0.001 0.000 0.157 213 G HA3 -0.095 3.866 3.960 0.001 0.000 0.157 213 G C 0.368 174.980 174.900 -0.481 0.000 1.012 213 G CA -0.202 44.677 45.100 -0.369 0.000 0.677 213 G HN 0.703 nan 8.290 nan 0.000 0.506 214 F N -1.211 118.482 119.950 -0.427 0.000 2.983 214 F HA -0.170 4.357 4.527 0.001 0.000 0.288 214 F C 0.349 175.942 175.800 -0.345 0.000 0.980 214 F CA 0.150 57.960 58.000 -0.317 0.000 0.965 214 F CB -2.329 36.521 39.000 -0.250 0.000 0.967 214 F HN 0.490 nan 8.300 nan 0.000 0.800 215 Y N -0.382 119.954 120.300 0.060 0.000 2.331 215 Y HA 0.653 5.204 4.550 0.001 0.000 0.338 215 Y C 0.517 176.457 175.900 0.068 0.000 0.992 215 Y CA -0.682 57.450 58.100 0.054 0.000 1.121 215 Y CB 1.384 39.862 38.460 0.029 0.000 1.184 215 Y HN 0.315 nan 8.280 nan 0.000 0.469 216 A N 2.432 125.403 122.820 0.252 0.000 2.312 216 A HA 0.528 4.848 4.320 0.001 0.000 0.326 216 A C -0.044 177.651 177.584 0.185 0.000 1.172 216 A CA -0.640 51.508 52.037 0.184 0.000 0.821 216 A CB 0.984 20.039 19.000 0.091 0.000 1.166 216 A HN 0.641 nan 8.150 nan 0.000 0.493 217 S N 1.431 117.228 115.700 0.162 0.000 2.592 217 S HA 0.474 4.945 4.470 0.001 0.000 0.271 217 S C 0.612 175.255 174.600 0.071 0.000 1.326 217 S CA 0.121 58.333 58.200 0.020 0.000 1.024 217 S CB 0.274 63.515 63.200 0.068 0.000 0.921 217 S HN 1.605 nan 8.310 nan 0.000 0.527 218 S N 3.608 119.356 115.700 0.079 0.000 2.646 218 S HA 0.498 4.968 4.470 0.001 0.000 0.276 218 S C -2.149 172.522 174.600 0.119 0.000 1.222 218 S CA -1.226 57.028 58.200 0.091 0.000 1.014 218 S CB 0.946 64.193 63.200 0.077 0.000 0.991 218 S HN 0.544 nan 8.310 nan 0.000 0.533 219 P HA -0.069 nan 4.420 nan 0.000 0.215 219 P C 1.673 179.007 177.300 0.057 0.000 1.153 219 P CA 2.042 65.178 63.100 0.060 0.000 0.853 219 P CB -0.233 31.492 31.700 0.042 0.000 0.788 220 A N -0.856 122.004 122.820 0.067 0.000 1.873 220 A HA -0.256 4.065 4.320 0.001 0.000 0.218 220 A C 2.167 179.789 177.584 0.064 0.000 1.193 220 A CA 1.878 53.950 52.037 0.059 0.000 0.629 220 A CB -1.920 17.121 19.000 0.068 0.000 0.826 220 A HN 0.181 nan 8.150 nan 0.000 0.447 221 F N -0.448 119.486 119.950 -0.026 0.000 2.102 221 F HA -0.173 4.354 4.527 0.001 0.000 0.298 221 F C 2.165 177.940 175.800 -0.042 0.000 1.105 221 F CA 2.338 60.311 58.000 -0.046 0.000 1.239 221 F CB -0.301 38.640 39.000 -0.098 0.000 0.991 221 F HN 0.243 nan 8.300 nan 0.000 0.474 222 M N 0.681 120.237 119.600 -0.074 0.000 2.213 222 M HA -0.208 4.273 4.480 0.001 0.000 0.263 222 M C 2.095 178.295 176.300 -0.166 0.000 1.062 222 M CA 1.694 56.906 55.300 -0.147 0.000 1.105 222 M CB -0.635 31.978 32.600 0.022 0.000 1.385 222 M HN 0.295 nan 8.290 nan 0.000 0.417 223 Q N -0.965 118.773 119.800 -0.103 0.000 2.079 223 Q HA -0.127 4.213 4.340 0.001 0.000 0.200 223 Q C 2.165 178.100 176.000 -0.109 0.000 0.974 223 Q CA 1.546 57.306 55.803 -0.072 0.000 0.840 223 Q CB -0.101 28.619 28.738 -0.030 0.000 0.898 223 Q HN 0.504 nan 8.270 nan 0.000 0.430 224 R N -0.068 120.330 120.500 -0.170 0.000 2.075 224 R HA -0.134 4.207 4.340 0.001 0.000 0.232 224 R C 2.215 178.388 176.300 -0.211 0.000 1.126 224 R CA 0.956 56.957 56.100 -0.165 0.000 0.963 224 R CB -0.346 29.850 30.300 -0.173 0.000 0.858 224 R HN 0.174 nan 8.270 nan 0.000 0.435 225 L N 1.159 122.150 121.223 -0.388 0.000 2.046 225 L HA -0.151 4.190 4.340 0.001 0.000 0.208 225 L C 2.371 179.174 176.870 -0.112 0.000 1.077 225 L CA 1.754 56.412 54.840 -0.303 0.000 0.747 225 L CB -0.461 41.331 42.059 -0.446 0.000 0.896 225 L HN -0.067 nan 8.230 nan 0.000 0.432 226 R N 0.146 120.589 120.500 -0.096 0.000 2.083 226 R HA -0.101 4.240 4.340 0.001 0.000 0.237 226 R C 2.158 178.450 176.300 -0.014 0.000 1.137 226 R CA 1.883 57.965 56.100 -0.030 0.000 0.951 226 R CB -0.986 29.302 30.300 -0.019 0.000 0.851 226 R HN 0.457 nan 8.270 nan 0.000 0.434 227 A N 0.689 123.494 122.820 -0.025 0.000 1.902 227 A HA -0.129 4.192 4.320 0.001 0.000 0.217 227 A C 2.295 179.883 177.584 0.006 0.000 1.181 227 A CA 1.542 53.571 52.037 -0.012 0.000 0.623 227 A CB -0.785 18.208 19.000 -0.012 0.000 0.818 227 A HN 0.451 nan 8.150 nan 0.000 0.443 228 L N -0.562 120.680 121.223 0.031 0.000 2.017 228 L HA -0.238 4.103 4.340 0.001 0.000 0.208 228 L C 2.552 179.522 176.870 0.168 0.000 1.073 228 L CA 2.112 57.025 54.840 0.121 0.000 0.745 228 L CB -0.402 41.721 42.059 0.107 0.000 0.894 228 L HN 0.492 nan 8.230 nan 0.000 0.432 229 C N 0.056 119.424 119.300 0.112 0.000 2.429 229 C HA -0.148 4.313 4.460 0.001 0.000 0.277 229 C C 2.327 177.351 174.990 0.058 0.000 1.262 229 C CA 0.671 59.759 59.018 0.117 0.000 1.733 229 C CB -1.047 26.740 27.740 0.078 0.000 2.010 229 C HN 0.608 nan 8.230 nan 0.000 0.483 230 D N 0.456 120.865 120.400 0.013 0.000 2.133 230 D HA -0.173 4.467 4.640 0.001 0.000 0.195 230 D C 2.059 178.320 176.300 -0.066 0.000 0.997 230 D CA 1.384 55.371 54.000 -0.022 0.000 0.840 230 D CB -0.619 40.167 40.800 -0.024 0.000 0.947 230 D HN 0.650 nan 8.370 nan 0.000 0.452 231 E N -0.380 119.747 120.200 -0.120 0.000 2.204 231 E HA -0.180 4.171 4.350 0.001 0.000 0.195 231 E C 0.925 177.270 176.600 -0.424 0.000 0.990 231 E CA 0.904 57.130 56.400 -0.290 0.000 0.821 231 E CB 0.154 29.616 29.700 -0.398 0.000 0.750 231 E HN 0.412 nan 8.360 nan 0.000 0.477 232 H N -1.649 117.397 119.070 -0.040 0.000 2.592 232 H HA 0.215 4.771 4.556 0.001 0.000 0.279 232 H C 0.930 176.214 175.328 -0.075 0.000 1.089 232 H CA 0.561 56.554 56.048 -0.092 0.000 1.150 232 H CB 1.203 30.862 29.762 -0.171 0.000 1.575 232 H HN 0.323 nan 8.280 nan 0.000 0.547 233 G N 1.884 110.698 108.800 0.023 0.000 2.203 233 G HA2 -0.292 3.668 3.960 0.001 0.000 0.263 233 G HA3 -0.292 3.668 3.960 0.001 0.000 0.263 233 G C 0.235 175.147 174.900 0.020 0.000 1.012 233 G CA 0.218 45.320 45.100 0.003 0.000 0.749 233 G HN 0.370 nan 8.290 nan 0.000 0.512 234 I N 1.004 121.608 120.570 0.057 0.000 2.428 234 I HA 0.298 4.468 4.170 0.001 0.000 0.289 234 I C 0.928 177.075 176.117 0.049 0.000 1.019 234 I CA -0.807 60.534 61.300 0.068 0.000 1.351 234 I CB 1.000 39.078 38.000 0.131 0.000 1.412 234 I HN -0.025 nan 8.210 nan 0.000 0.513 235 M N 6.601 126.224 119.600 0.039 0.000 2.162 235 M HA 0.192 4.673 4.480 0.001 0.000 0.356 235 M C -0.524 175.807 176.300 0.051 0.000 1.303 235 M CA -0.653 54.662 55.300 0.025 0.000 1.116 235 M CB 0.695 33.301 32.600 0.011 0.000 1.632 235 M HN 0.294 nan 8.290 nan 0.000 0.469 236 L N 6.291 127.543 121.223 0.048 0.000 2.261 236 L HA 0.455 4.795 4.340 0.001 0.000 0.289 236 L C -0.792 176.120 176.870 0.070 0.000 1.059 236 L CA 0.232 55.115 54.840 0.071 0.000 0.816 236 L CB 0.028 42.126 42.059 0.064 0.000 1.191 236 L HN 0.546 nan 8.230 nan 0.000 0.431 237 I N 5.666 126.286 120.570 0.084 0.000 2.312 237 I HA 0.435 4.605 4.170 0.001 0.000 0.290 237 I C 0.214 176.393 176.117 0.103 0.000 1.008 237 I CA -0.570 60.775 61.300 0.075 0.000 1.226 237 I CB 1.452 39.484 38.000 0.054 0.000 1.371 237 I HN 0.758 nan 8.210 nan 0.000 0.468 238 A N 5.124 128.003 122.820 0.098 0.000 2.294 238 A HA 0.245 4.566 4.320 0.001 0.000 0.316 238 A C -0.309 177.361 177.584 0.143 0.000 1.359 238 A CA -0.489 51.622 52.037 0.124 0.000 0.956 238 A CB 0.202 19.264 19.000 0.103 0.000 1.155 238 A HN 0.670 nan 8.150 nan 0.000 0.544 239 D N 2.755 123.265 120.400 0.184 0.000 2.374 239 D HA 0.107 4.747 4.640 0.001 0.000 0.240 239 D C 0.256 176.679 176.300 0.204 0.000 1.229 239 D CA 0.233 54.358 54.000 0.209 0.000 0.895 239 D CB 0.504 41.498 40.800 0.323 0.000 1.046 239 D HN 0.587 nan 8.370 nan 0.000 0.498 240 E N 2.871 123.206 120.200 0.224 0.000 2.496 240 E HA 0.052 4.403 4.350 0.001 0.000 0.202 240 E C 1.581 178.316 176.600 0.225 0.000 1.021 240 E CA -0.149 56.399 56.400 0.246 0.000 1.015 240 E CB 0.977 30.925 29.700 0.413 0.000 1.102 240 E HN 0.320 nan 8.360 nan 0.000 0.452 241 V N 0.953 120.980 119.914 0.189 0.000 2.332 241 V HA -0.319 3.801 4.120 0.001 0.000 0.248 241 V C 2.403 178.563 176.094 0.109 0.000 1.055 241 V CA 2.289 64.684 62.300 0.158 0.000 1.038 241 V CB -0.235 31.669 31.823 0.136 0.000 0.651 241 V HN 0.340 nan 8.190 nan 0.000 0.450 242 Q N -0.364 119.484 119.800 0.080 0.000 2.304 242 Q HA -0.084 4.257 4.340 0.001 0.000 0.204 242 Q C 2.342 178.322 176.000 -0.034 0.000 0.936 242 Q CA 1.115 56.934 55.803 0.027 0.000 0.878 242 Q CB 0.031 28.785 28.738 0.026 0.000 0.983 242 Q HN 0.703 nan 8.270 nan 0.000 0.516 243 S N -0.409 115.268 115.700 -0.037 0.000 2.428 243 S HA 0.068 4.538 4.470 0.001 0.000 0.230 243 S C 1.165 175.710 174.600 -0.091 0.000 1.014 243 S CA 0.335 58.482 58.200 -0.088 0.000 0.957 243 S CB -0.439 62.730 63.200 -0.050 0.000 0.784 243 S HN 0.414 nan 8.310 nan 0.000 0.499 244 G N 0.100 108.870 108.800 -0.050 0.000 2.570 244 G HA2 0.448 4.409 3.960 0.001 0.000 0.276 244 G HA3 0.448 4.409 3.960 0.001 0.000 0.276 244 G C 0.640 175.305 174.900 -0.393 0.000 1.346 244 G CA -0.310 44.642 45.100 -0.246 0.000 1.034 244 G HN 1.411 nan 8.290 nan 0.000 0.512 245 A N -2.460 119.916 122.820 -0.740 0.000 2.822 245 A HA 0.254 4.575 4.320 0.001 0.000 0.287 245 A C 2.091 179.336 177.584 -0.565 0.000 1.479 245 A CA 1.858 53.512 52.037 -0.639 0.000 0.779 245 A CB -1.473 17.348 19.000 -0.299 0.000 1.022 245 A HN 2.996 nan 8.150 nan 0.000 0.532 246 G N -1.874 106.590 108.800 -0.560 0.000 2.199 246 G HA2 -0.336 3.624 3.960 0.001 0.000 0.254 246 G HA3 -0.336 3.624 3.960 0.001 0.000 0.254 246 G C 0.861 175.732 174.900 -0.049 0.000 0.982 246 G CA 1.252 46.192 45.100 -0.265 0.000 0.632 246 G HN 1.424 nan 8.290 nan 0.000 0.529 247 R N 1.121 121.569 120.500 -0.088 0.000 2.103 247 R HA -0.068 4.273 4.340 0.001 0.000 0.242 247 R C 2.850 179.105 176.300 -0.076 0.000 1.142 247 R CA 2.747 58.807 56.100 -0.066 0.000 0.960 247 R CB -0.863 29.371 30.300 -0.110 0.000 0.858 247 R HN 0.749 nan 8.270 nan 0.000 0.439 248 T N -3.707 110.790 114.554 -0.095 0.000 3.169 248 T HA 0.267 4.617 4.350 0.001 0.000 0.250 248 T C 1.216 175.891 174.700 -0.042 0.000 1.111 248 T CA 0.484 62.539 62.100 -0.075 0.000 1.010 248 T CB 0.316 69.140 68.868 -0.073 0.000 0.984 248 T HN 0.417 nan 8.240 nan 0.000 0.537 249 G N 0.937 109.720 108.800 -0.028 0.000 2.213 249 G HA2 -0.185 3.776 3.960 0.001 0.000 0.226 249 G HA3 -0.185 3.776 3.960 0.001 0.000 0.226 249 G C 0.255 175.150 174.900 -0.010 0.000 0.992 249 G CA 0.150 45.246 45.100 -0.006 0.000 0.632 249 G HN 1.245 nan 8.290 nan 0.000 0.511 250 T N -1.995 112.536 114.554 -0.039 0.000 2.916 250 T HA 0.678 5.028 4.350 0.001 0.000 0.292 250 T C 1.078 175.693 174.700 -0.142 0.000 1.055 250 T CA -0.023 62.046 62.100 -0.051 0.000 1.009 250 T CB 2.153 71.010 68.868 -0.018 0.000 1.118 250 T HN 0.717 nan 8.240 nan 0.000 0.497 251 L N 0.072 121.178 121.223 -0.195 0.000 2.043 251 L HA 0.277 4.618 4.340 0.001 0.000 0.212 251 L C -0.223 176.231 176.870 -0.692 0.000 1.075 251 L CA 1.755 56.318 54.840 -0.462 0.000 0.752 251 L CB -0.565 41.266 42.059 -0.381 0.000 0.891 251 L HN 0.716 nan 8.230 nan 0.000 0.432 252 F N -2.465 117.417 119.950 -0.114 0.000 2.540 252 F HA 0.485 5.012 4.527 0.001 0.000 0.317 252 F C 1.070 176.842 175.800 -0.046 0.000 1.104 252 F CA -0.321 57.634 58.000 -0.074 0.000 0.913 252 F CB 1.278 40.242 39.000 -0.060 0.000 1.170 252 F HN -0.159 nan 8.300 nan 0.000 0.450 253 A N 3.064 125.954 122.820 0.117 0.000 1.978 253 A HA -0.163 4.158 4.320 0.001 0.000 0.220 253 A C 2.138 179.776 177.584 0.090 0.000 1.170 253 A CA 1.512 53.591 52.037 0.069 0.000 0.636 253 A CB -0.440 18.590 19.000 0.049 0.000 0.810 253 A HN 0.740 nan 8.150 nan 0.000 0.448 254 M N -0.067 119.608 119.600 0.127 0.000 2.267 254 M HA -0.172 4.309 4.480 0.001 0.000 0.263 254 M C 1.668 178.006 176.300 0.063 0.000 1.063 254 M CA 1.338 56.691 55.300 0.088 0.000 1.090 254 M CB -1.448 31.198 32.600 0.076 0.000 1.392 254 M HN 0.570 nan 8.290 nan 0.000 0.422 255 E N -0.131 120.113 120.200 0.073 0.000 2.265 255 E HA -0.204 4.146 4.350 0.001 0.000 0.196 255 E C 1.466 178.084 176.600 0.029 0.000 0.996 255 E CA 0.804 57.229 56.400 0.042 0.000 0.832 255 E CB -0.164 29.564 29.700 0.046 0.000 0.756 255 E HN 0.664 nan 8.360 nan 0.000 0.491 256 Q N -0.687 119.134 119.800 0.034 0.000 2.319 256 Q HA 0.144 4.485 4.340 0.001 0.000 0.202 256 Q C 1.308 177.328 176.000 0.032 0.000 0.896 256 Q CA -0.014 55.806 55.803 0.027 0.000 0.942 256 Q CB 0.517 29.270 28.738 0.024 0.000 1.083 256 Q HN 0.217 nan 8.270 nan 0.000 0.510 257 M N -1.526 118.096 119.600 0.037 0.000 2.492 257 M HA 0.203 4.683 4.480 0.001 0.000 0.255 257 M C 1.174 177.490 176.300 0.027 0.000 1.139 257 M CA 0.808 56.132 55.300 0.039 0.000 1.096 257 M CB 0.239 32.869 32.600 0.049 0.000 1.360 257 M HN 0.342 nan 8.290 nan 0.000 0.480 258 G N 1.492 110.304 108.800 0.020 0.000 2.159 258 G HA2 -0.185 3.775 3.960 0.001 0.000 0.256 258 G HA3 -0.185 3.775 3.960 0.001 0.000 0.256 258 G C 0.127 175.033 174.900 0.011 0.000 0.977 258 G CA 0.330 45.438 45.100 0.012 0.000 0.652 258 G HN 0.551 nan 8.290 nan 0.000 0.531 259 V N -3.602 116.322 119.914 0.016 0.000 3.114 259 V HA 0.989 5.109 4.120 0.001 0.000 0.308 259 V C 0.005 176.117 176.094 0.031 0.000 1.168 259 V CA -0.710 61.603 62.300 0.022 0.000 1.015 259 V CB 1.599 33.432 31.823 0.018 0.000 1.050 259 V HN 1.810 nan 8.190 nan 0.000 0.433 260 A N 2.980 125.833 122.820 0.055 0.000 2.324 260 A HA 1.024 5.345 4.320 0.001 0.000 0.330 260 A C -2.526 175.134 177.584 0.126 0.000 1.165 260 A CA -1.798 50.285 52.037 0.077 0.000 0.813 260 A CB 1.276 20.318 19.000 0.070 0.000 1.197 260 A HN 0.837 nan 8.150 nan 0.000 0.484 261 P HA 0.317 nan 4.420 nan 0.000 0.280 261 P C -0.587 176.794 177.300 0.135 0.000 1.272 261 P CA -0.301 62.860 63.100 0.101 0.000 0.819 261 P CB 1.219 32.963 31.700 0.073 0.000 1.122 262 D N -0.482 119.954 120.400 0.061 0.000 2.249 262 D HA 0.130 4.771 4.640 0.001 0.000 0.205 262 D C 0.548 176.858 176.300 0.018 0.000 0.962 262 D CA 1.137 55.132 54.000 -0.008 0.000 0.860 262 D CB 0.361 41.128 40.800 -0.054 0.000 0.955 262 D HN 0.250 nan 8.370 nan 0.000 0.505 263 L N -0.494 120.751 121.223 0.037 0.000 2.434 263 L HA 0.367 4.708 4.340 0.001 0.000 0.260 263 L C -0.753 176.139 176.870 0.037 0.000 0.983 263 L CA -0.408 54.451 54.840 0.032 0.000 0.820 263 L CB 2.873 44.942 42.059 0.018 0.000 1.361 263 L HN -0.357 nan 8.230 nan 0.000 0.410 264 T N 0.030 114.602 114.554 0.030 0.000 2.921 264 T HA 0.510 4.860 4.350 0.001 0.000 0.297 264 T C -0.527 174.225 174.700 0.087 0.000 1.013 264 T CA -0.636 61.486 62.100 0.036 0.000 0.990 264 T CB 1.761 70.577 68.868 -0.087 0.000 1.023 264 T HN 0.661 nan 8.240 nan 0.000 0.447 265 T N 1.167 115.780 114.554 0.100 0.000 2.829 265 T HA 0.841 5.191 4.350 0.001 0.000 0.282 265 T C -0.542 174.267 174.700 0.181 0.000 0.990 265 T CA -0.814 61.306 62.100 0.033 0.000 1.028 265 T CB 0.490 69.365 68.868 0.012 0.000 0.951 265 T HN 0.517 nan 8.240 nan 0.000 0.460 266 F N -0.089 119.925 119.950 0.107 0.000 2.626 266 F HA 0.988 5.516 4.527 0.001 0.000 0.311 266 F C -0.269 175.586 175.800 0.092 0.000 1.088 266 F CA -1.067 57.022 58.000 0.150 0.000 0.949 266 F CB 1.111 40.258 39.000 0.245 0.000 1.322 266 F HN 0.995 nan 8.300 nan 0.000 0.461 267 A N 0.716 123.726 122.820 0.315 0.000 6.075 267 A HA 0.508 4.828 4.320 0.001 0.000 0.142 267 A C 0.270 177.949 177.584 0.159 0.000 0.950 267 A CA -0.165 51.987 52.037 0.191 0.000 1.278 267 A CB -0.577 18.465 19.000 0.071 0.000 2.412 267 A HN 0.886 nan 8.150 nan 0.000 1.145 268 K N -1.024 119.436 120.400 0.101 0.000 2.026 268 K HA -0.294 4.026 4.320 0.001 0.000 0.145 268 K C 1.461 178.103 176.600 0.070 0.000 0.872 268 K CA 2.095 58.424 56.287 0.069 0.000 0.349 268 K CB -1.582 30.950 32.500 0.053 0.000 0.715 268 K HN 0.564 nan 8.250 nan 0.000 0.815 269 S N 0.704 116.435 115.700 0.051 0.000 2.537 269 S HA -0.091 4.380 4.470 0.001 0.000 0.240 269 S C 1.593 176.229 174.600 0.060 0.000 0.981 269 S CA 0.901 59.132 58.200 0.052 0.000 0.948 269 S CB -0.219 63.007 63.200 0.042 0.000 0.759 269 S HN 0.338 nan 8.310 nan 0.000 0.531 270 I N 1.493 122.104 120.570 0.070 0.000 2.361 270 I HA -0.116 4.055 4.170 0.001 0.000 0.251 270 I C 1.744 177.909 176.117 0.080 0.000 1.133 270 I CA 1.147 62.478 61.300 0.051 0.000 1.413 270 I CB -0.189 37.911 38.000 0.167 0.000 1.073 270 I HN 0.228 nan 8.210 nan 0.000 0.424 271 A N -0.699 122.201 122.820 0.132 0.000 2.508 271 A HA 0.541 4.861 4.320 0.001 0.000 0.257 271 A C 1.569 179.310 177.584 0.262 0.000 1.226 271 A CA 0.257 52.399 52.037 0.175 0.000 0.947 271 A CB -0.698 18.430 19.000 0.212 0.000 1.079 271 A HN 0.656 nan 8.150 nan 0.000 0.531 272 G N -0.762 108.148 108.800 0.182 0.000 2.341 272 G HA2 0.144 4.105 3.960 0.001 0.000 0.292 272 G HA3 0.144 4.105 3.960 0.001 0.000 0.292 272 G C 1.285 176.279 174.900 0.157 0.000 1.021 272 G CA 1.000 46.200 45.100 0.167 0.000 0.905 272 G HN 2.135 nan 8.290 nan 0.000 0.508 273 G N -2.802 106.035 108.800 0.062 0.000 2.151 273 G HA2 0.115 4.076 3.960 0.001 0.000 0.140 273 G HA3 0.115 4.076 3.960 0.001 0.000 0.140 273 G C -0.061 174.471 174.900 -0.614 0.000 1.020 273 G CA -0.030 44.928 45.100 -0.237 0.000 0.688 273 G HN 1.140 nan 8.290 nan 0.000 0.500 274 F N -0.140 119.826 119.950 0.026 0.000 2.576 274 F HA 0.595 5.123 4.527 0.001 0.000 0.313 274 F C -2.329 173.486 175.800 0.025 0.000 1.078 274 F CA -2.699 55.316 58.000 0.024 0.000 0.921 274 F CB 1.996 41.014 39.000 0.029 0.000 1.232 274 F HN -0.185 nan 8.300 nan 0.000 0.459 275 P HA 0.262 nan 4.420 nan 0.000 0.263 275 P C -1.151 176.219 177.300 0.116 0.000 1.247 275 P CA 0.339 63.497 63.100 0.098 0.000 0.876 275 P CB 0.352 32.079 31.700 0.044 0.000 0.928 276 L N 3.004 124.293 121.223 0.109 0.000 2.545 276 L HA 0.808 5.148 4.340 0.001 0.000 0.258 276 L C -1.597 175.317 176.870 0.074 0.000 0.942 276 L CA -0.601 54.298 54.840 0.099 0.000 0.855 276 L CB 1.920 44.055 42.059 0.127 0.000 1.374 276 L HN 0.377 nan 8.230 nan 0.000 0.411 277 A N 1.842 124.655 122.820 -0.013 0.000 2.588 277 A HA 1.048 5.369 4.320 0.001 0.000 0.290 277 A C -0.657 176.632 177.584 -0.491 0.000 1.136 277 A CA -0.078 51.846 52.037 -0.188 0.000 0.681 277 A CB 1.494 20.409 19.000 -0.142 0.000 1.282 277 A HN 1.603 nan 8.150 nan 0.000 0.421 278 G N -1.767 106.349 108.800 -1.140 0.000 2.451 278 G HA2 0.627 4.588 3.960 0.001 0.000 0.292 278 G HA3 0.627 4.588 3.960 0.001 0.000 0.292 278 G C -2.062 172.203 174.900 -1.059 0.000 1.427 278 G CA 0.014 44.413 45.100 -1.169 0.000 0.792 278 G HN 1.457 nan 8.290 nan 0.000 0.498 279 V N 0.119 119.799 119.914 -0.390 0.000 2.638 279 V HA 0.750 4.871 4.120 0.001 0.000 0.306 279 V C -0.421 175.726 176.094 0.089 0.000 1.052 279 V CA -0.612 61.623 62.300 -0.109 0.000 0.885 279 V CB 1.951 33.728 31.823 -0.077 0.000 0.999 279 V HN 0.860 nan 8.190 nan 0.000 0.424 280 T N 3.393 118.036 114.554 0.149 0.000 2.840 280 T HA 0.820 5.171 4.350 0.001 0.000 0.287 280 T C 0.170 174.907 174.700 0.062 0.000 0.991 280 T CA -0.246 61.921 62.100 0.113 0.000 0.964 280 T CB 1.624 70.542 68.868 0.083 0.000 0.954 280 T HN 1.141 nan 8.240 nan 0.000 0.438 281 G N 1.561 110.403 108.800 0.070 0.000 2.606 281 G HA2 0.538 4.499 3.960 0.001 0.000 0.300 281 G HA3 0.538 4.499 3.960 0.001 0.000 0.300 281 G C -1.231 173.723 174.900 0.089 0.000 1.360 281 G CA -1.113 44.037 45.100 0.084 0.000 0.783 281 G HN 0.642 nan 8.290 nan 0.000 0.484 282 R N 0.123 120.616 120.500 -0.011 0.000 2.481 282 R HA 0.124 4.465 4.340 0.001 0.000 0.291 282 R C 1.714 177.987 176.300 -0.046 0.000 0.934 282 R CA 0.553 56.555 56.100 -0.163 0.000 1.116 282 R CB 0.632 30.691 30.300 -0.403 0.000 0.895 282 R HN 0.659 nan 8.270 nan 0.000 0.410 283 A N 4.336 127.165 122.820 0.014 0.000 1.892 283 A HA -0.249 4.071 4.320 0.001 0.000 0.218 283 A C 1.932 179.509 177.584 -0.011 0.000 1.188 283 A CA 1.905 53.954 52.037 0.019 0.000 0.631 283 A CB -0.344 18.680 19.000 0.040 0.000 0.822 283 A HN 0.895 nan 8.150 nan 0.000 0.447 284 E N 0.248 120.426 120.200 -0.037 0.000 2.204 284 E HA -0.096 4.255 4.350 0.001 0.000 0.194 284 E C 1.896 178.468 176.600 -0.046 0.000 0.989 284 E CA 1.545 57.921 56.400 -0.040 0.000 0.824 284 E CB -0.926 28.745 29.700 -0.048 0.000 0.756 284 E HN 0.354 nan 8.360 nan 0.000 0.477 285 V N 1.576 121.451 119.914 -0.066 0.000 2.379 285 V HA -0.214 3.906 4.120 0.001 0.000 0.245 285 V C 2.666 178.740 176.094 -0.034 0.000 1.044 285 V CA 1.731 63.996 62.300 -0.057 0.000 1.036 285 V CB -0.477 31.299 31.823 -0.077 0.000 0.664 285 V HN 0.204 nan 8.190 nan 0.000 0.453 286 M N -0.198 119.388 119.600 -0.023 0.000 2.108 286 M HA -0.164 4.317 4.480 0.001 0.000 0.261 286 M C 1.637 177.935 176.300 -0.003 0.000 1.066 286 M CA 1.578 56.874 55.300 -0.006 0.000 1.107 286 M CB -1.207 31.399 32.600 0.010 0.000 1.356 286 M HN 0.303 nan 8.290 nan 0.000 0.406 287 D N 0.178 120.575 120.400 -0.005 0.000 2.349 287 D HA 0.145 4.785 4.640 0.001 0.000 0.224 287 D C 1.711 178.006 176.300 -0.009 0.000 1.029 287 D CA 0.362 54.361 54.000 -0.002 0.000 0.879 287 D CB 0.053 40.853 40.800 -0.001 0.000 0.906 287 D HN 0.257 nan 8.370 nan 0.000 0.528 288 A N -0.141 122.670 122.820 -0.015 0.000 2.015 288 A HA -0.042 4.279 4.320 0.001 0.000 0.219 288 A C 1.253 178.828 177.584 -0.015 0.000 1.163 288 A CA 0.389 52.415 52.037 -0.017 0.000 0.646 288 A CB 0.030 19.017 19.000 -0.023 0.000 0.806 288 A HN 0.083 nan 8.150 nan 0.000 0.448 289 V N 0.836 120.743 119.914 -0.012 0.000 2.555 289 V HA 0.425 4.545 4.120 0.001 0.000 0.286 289 V C 0.908 176.998 176.094 -0.007 0.000 1.044 289 V CA -0.421 61.872 62.300 -0.011 0.000 1.026 289 V CB 0.552 32.369 31.823 -0.010 0.000 0.981 289 V HN 0.513 nan 8.190 nan 0.000 0.480 290 A N 8.365 131.180 122.820 -0.008 0.000 2.425 290 A HA 0.507 4.827 4.320 0.001 0.000 0.242 290 A C -1.845 175.738 177.584 -0.003 0.000 1.077 290 A CA -1.132 50.901 52.037 -0.006 0.000 0.781 290 A CB -0.321 18.674 19.000 -0.008 0.000 1.020 290 A HN 0.741 nan 8.150 nan 0.000 0.494 291 P HA 0.164 nan 4.420 nan 0.000 0.262 291 P C 0.800 178.100 177.300 -0.001 0.000 1.182 291 P CA 1.493 64.593 63.100 0.000 0.000 0.761 291 P CB 0.598 32.296 31.700 -0.003 0.000 0.795 292 G N 2.475 111.277 108.800 0.004 0.000 2.195 292 G HA2 -0.201 3.760 3.960 0.001 0.000 0.224 292 G HA3 -0.201 3.760 3.960 0.001 0.000 0.224 292 G C 0.925 175.827 174.900 0.003 0.000 0.990 292 G CA 0.054 45.156 45.100 0.003 0.000 0.639 292 G HN 0.799 nan 8.290 nan 0.000 0.514 293 G N -0.241 108.561 108.800 0.002 0.000 3.042 293 G HA2 0.508 4.469 3.960 0.001 0.000 0.212 293 G HA3 0.508 4.469 3.960 0.001 0.000 0.212 293 G C 0.438 175.339 174.900 0.002 0.000 1.166 293 G CA 0.227 45.325 45.100 -0.002 0.000 0.767 293 G HN 0.545 nan 8.290 nan 0.000 0.546 294 L N 0.479 121.711 121.223 0.014 0.000 2.376 294 L HA 0.732 5.073 4.340 0.001 0.000 0.275 294 L C 0.322 177.217 176.870 0.043 0.000 0.987 294 L CA -0.625 54.229 54.840 0.024 0.000 0.828 294 L CB 2.095 44.172 42.059 0.030 0.000 1.249 294 L HN 0.143 nan 8.230 nan 0.000 0.409 295 G N 1.171 109.998 108.800 0.045 0.000 2.650 295 G HA2 0.775 4.736 3.960 0.001 0.000 0.310 295 G HA3 0.775 4.736 3.960 0.001 0.000 0.310 295 G C -1.009 173.933 174.900 0.070 0.000 1.270 295 G CA -0.227 44.912 45.100 0.065 0.000 0.810 295 G HN 0.850 nan 8.290 nan 0.000 0.493 296 G N -1.929 106.917 108.800 0.076 0.000 2.220 296 G HA2 0.480 4.441 3.960 0.001 0.000 0.232 296 G HA3 0.480 4.441 3.960 0.001 0.000 0.232 296 G C 0.370 175.325 174.900 0.091 0.000 1.680 296 G CA 0.616 45.758 45.100 0.069 0.000 0.922 296 G HN 0.986 nan 8.290 nan 0.000 0.723 297 T N 1.526 116.082 114.554 0.003 0.000 2.580 297 T HA -0.201 4.149 4.350 0.001 0.000 0.265 297 T C 1.865 176.674 174.700 0.182 0.000 1.063 297 T CA 2.538 64.629 62.100 -0.014 0.000 1.170 297 T CB -0.263 68.409 68.868 -0.327 0.000 0.863 297 T HN 0.537 nan 8.240 nan 0.000 0.418 298 Y N 1.533 121.962 120.300 0.214 0.000 2.583 298 Y HA 0.524 5.074 4.550 0.001 0.000 0.293 298 Y C 1.522 177.572 175.900 0.250 0.000 1.157 298 Y CA -1.119 57.127 58.100 0.243 0.000 1.315 298 Y CB -1.201 37.341 38.460 0.138 0.000 1.021 298 Y HN 0.164 nan 8.280 nan 0.000 0.536 299 A N 0.934 123.965 122.820 0.351 0.000 2.592 299 A HA 0.286 4.607 4.320 0.001 0.000 0.250 299 A C 1.581 179.380 177.584 0.359 0.000 1.017 299 A CA 0.940 53.150 52.037 0.288 0.000 0.794 299 A CB -0.976 18.175 19.000 0.252 0.000 0.917 299 A HN 0.997 nan 8.150 nan 0.000 0.515 300 G N 2.760 111.673 108.800 0.188 0.000 2.350 300 G HA2 -0.281 3.679 3.960 0.001 0.000 0.298 300 G HA3 -0.281 3.679 3.960 0.001 0.000 0.298 300 G C 0.185 175.301 174.900 0.360 0.000 1.037 300 G CA 0.281 45.445 45.100 0.107 0.000 1.074 300 G HN 1.270 nan 8.290 nan 0.000 0.511 301 N N 0.412 119.280 118.700 0.280 0.000 2.359 301 N HA 0.041 4.782 4.740 0.001 0.000 0.261 301 N C -0.283 175.326 175.510 0.166 0.000 1.267 301 N CA -0.438 52.759 53.050 0.244 0.000 0.864 301 N CB 0.879 39.465 38.487 0.166 0.000 1.063 301 N HN 0.084 nan 8.380 nan 0.000 0.474 302 P HA -0.210 nan 4.420 nan 0.000 0.215 302 P C 1.613 178.906 177.300 -0.011 0.000 1.163 302 P CA 1.138 64.198 63.100 -0.068 0.000 0.894 302 P CB 0.201 31.705 31.700 -0.327 0.000 0.791 303 I N -0.634 119.919 120.570 -0.029 0.000 2.127 303 I HA -0.233 3.938 4.170 0.001 0.000 0.241 303 I C 2.264 178.306 176.117 -0.125 0.000 1.075 303 I CA 2.000 63.254 61.300 -0.076 0.000 1.334 303 I CB -1.965 36.007 38.000 -0.046 0.000 1.040 303 I HN -0.075 nan 8.210 nan 0.000 0.405 304 A N 0.111 122.917 122.820 -0.022 0.000 1.933 304 A HA -0.219 4.101 4.320 0.001 0.000 0.218 304 A C 2.619 180.204 177.584 0.002 0.000 1.175 304 A CA 1.821 53.867 52.037 0.016 0.000 0.628 304 A CB -1.135 17.942 19.000 0.129 0.000 0.814 304 A HN 0.516 nan 8.150 nan 0.000 0.444 305 C N -0.847 118.473 119.300 0.033 0.000 2.413 305 C HA -0.117 4.343 4.460 0.001 0.000 0.277 305 C C 2.889 177.882 174.990 0.004 0.000 1.228 305 C CA 1.408 60.449 59.018 0.039 0.000 1.731 305 C CB -1.396 26.412 27.740 0.114 0.000 2.042 305 C HN 0.697 nan 8.230 nan 0.000 0.468 306 V N 0.802 120.707 119.914 -0.016 0.000 2.490 306 V HA -0.087 4.034 4.120 0.001 0.000 0.250 306 V C 2.398 178.442 176.094 -0.082 0.000 1.061 306 V CA 2.175 64.452 62.300 -0.037 0.000 1.064 306 V CB -1.488 30.308 31.823 -0.045 0.000 0.670 306 V HN 0.454 nan 8.190 nan 0.000 0.461 307 A N 0.899 123.626 122.820 -0.154 0.000 1.877 307 A HA 0.072 4.393 4.320 0.001 0.000 0.216 307 A C 2.549 180.101 177.584 -0.052 0.000 1.186 307 A CA 2.496 54.416 52.037 -0.194 0.000 0.620 307 A CB -1.185 17.565 19.000 -0.417 0.000 0.822 307 A HN 0.971 nan 8.150 nan 0.000 0.443 308 A N -0.186 122.625 122.820 -0.015 0.000 1.877 308 A HA -0.074 4.247 4.320 0.001 0.000 0.216 308 A C 2.182 179.757 177.584 -0.015 0.000 1.186 308 A CA 1.548 53.589 52.037 0.008 0.000 0.620 308 A CB -0.741 18.270 19.000 0.019 0.000 0.822 308 A HN 0.472 nan 8.150 nan 0.000 0.443 309 L N -0.974 120.237 121.223 -0.019 0.000 2.043 309 L HA -0.238 4.102 4.340 0.001 0.000 0.212 309 L C 2.695 179.556 176.870 -0.015 0.000 1.075 309 L CA 1.861 56.691 54.840 -0.018 0.000 0.752 309 L CB -0.441 41.614 42.059 -0.006 0.000 0.891 309 L HN 0.410 nan 8.230 nan 0.000 0.432 310 E N -0.251 119.936 120.200 -0.022 0.000 2.107 310 E HA -0.129 4.221 4.350 0.001 0.000 0.191 310 E C 2.127 178.708 176.600 -0.032 0.000 0.982 310 E CA 0.768 57.153 56.400 -0.025 0.000 0.809 310 E CB -0.075 29.606 29.700 -0.031 0.000 0.756 310 E HN 0.173 nan 8.360 nan 0.000 0.459 311 V N 0.636 120.543 119.914 -0.012 0.000 2.287 311 V HA -0.271 3.850 4.120 0.001 0.000 0.248 311 V C 2.360 178.528 176.094 0.122 0.000 1.053 311 V CA 1.709 64.029 62.300 0.033 0.000 1.027 311 V CB -0.462 31.412 31.823 0.085 0.000 0.646 311 V HN 0.313 nan 8.190 nan 0.000 0.447 312 L N -0.721 120.534 121.223 0.052 0.000 2.083 312 L HA -0.204 4.137 4.340 0.001 0.000 0.209 312 L C 2.552 179.460 176.870 0.064 0.000 1.083 312 L CA 1.648 56.508 54.840 0.034 0.000 0.752 312 L CB -0.604 41.427 42.059 -0.047 0.000 0.899 312 L HN 0.299 nan 8.230 nan 0.000 0.433 313 K N -0.387 120.029 120.400 0.028 0.000 2.057 313 K HA -0.111 4.209 4.320 0.001 0.000 0.206 313 K C 2.062 178.672 176.600 0.017 0.000 1.050 313 K CA 1.047 57.345 56.287 0.019 0.000 0.935 313 K CB -0.192 32.310 32.500 0.004 0.000 0.715 313 K HN 0.064 nan 8.250 nan 0.000 0.439 314 V N 0.924 120.824 119.914 -0.024 0.000 2.332 314 V HA -0.240 3.881 4.120 0.001 0.000 0.248 314 V C 1.929 177.975 176.094 -0.079 0.000 1.055 314 V CA 1.683 63.918 62.300 -0.109 0.000 1.038 314 V CB -0.517 31.091 31.823 -0.359 0.000 0.651 314 V HN 0.182 nan 8.190 nan 0.000 0.450 315 F N 0.511 120.400 119.950 -0.102 0.000 2.126 315 F HA -0.204 4.323 4.527 0.001 0.000 0.299 315 F C 2.466 178.233 175.800 -0.055 0.000 1.096 315 F CA 2.189 60.141 58.000 -0.080 0.000 1.255 315 F CB -0.210 38.736 39.000 -0.091 0.000 0.997 315 F HN 0.176 nan 8.300 nan 0.000 0.479 316 E N 0.415 120.696 120.200 0.135 0.000 2.028 316 E HA -0.235 4.116 4.350 0.001 0.000 0.191 316 E C 2.213 178.832 176.600 0.032 0.000 0.988 316 E CA 1.750 58.192 56.400 0.070 0.000 0.799 316 E CB -0.414 29.314 29.700 0.047 0.000 0.755 316 E HN 0.572 nan 8.360 nan 0.000 0.447 317 Q N -0.077 119.734 119.800 0.018 0.000 2.172 317 Q HA -0.106 4.235 4.340 0.001 0.000 0.200 317 Q C 1.254 177.254 176.000 0.000 0.000 0.964 317 Q CA 1.502 57.310 55.803 0.010 0.000 0.855 317 Q CB -0.159 28.587 28.738 0.013 0.000 0.918 317 Q HN 0.288 nan 8.270 nan 0.000 0.444 318 E N 0.505 120.692 120.200 -0.021 0.000 2.444 318 E HA 0.084 4.435 4.350 0.001 0.000 0.191 318 E C -0.720 175.849 176.600 -0.053 0.000 1.041 318 E CA -0.287 56.092 56.400 -0.035 0.000 0.883 318 E CB 0.121 29.795 29.700 -0.044 0.000 1.024 318 E HN 0.396 nan 8.360 nan 0.000 0.470 319 N N 0.726 119.408 118.700 -0.031 0.000 2.714 319 N HA -0.214 4.526 4.740 0.001 0.000 0.252 319 N C 0.468 175.950 175.510 -0.047 0.000 1.014 319 N CA 0.126 53.166 53.050 -0.016 0.000 0.735 319 N CB -0.890 37.592 38.487 -0.009 0.000 0.924 319 N HN 0.255 nan 8.380 nan 0.000 0.540 320 L N -0.684 120.468 121.223 -0.120 0.000 2.141 320 L HA -0.154 4.187 4.340 0.001 0.000 0.209 320 L C 2.086 178.944 176.870 -0.019 0.000 1.094 320 L CA 1.075 55.776 54.840 -0.231 0.000 0.763 320 L CB -0.268 41.265 42.059 -0.877 0.000 0.908 320 L HN 0.445 nan 8.230 nan 0.000 0.437 321 L N -0.563 120.744 121.223 0.139 0.000 2.046 321 L HA -0.243 4.097 4.340 0.001 0.000 0.208 321 L C 2.701 179.599 176.870 0.047 0.000 1.077 321 L CA 1.137 56.054 54.840 0.129 0.000 0.747 321 L CB -0.495 41.631 42.059 0.111 0.000 0.896 321 L HN 0.277 nan 8.230 nan 0.000 0.432 322 Q N 0.787 120.603 119.800 0.027 0.000 2.084 322 Q HA -0.198 4.143 4.340 0.001 0.000 0.202 322 Q C 2.077 178.075 176.000 -0.003 0.000 0.978 322 Q CA 1.747 57.556 55.803 0.009 0.000 0.844 322 Q CB -0.028 28.713 28.738 0.006 0.000 0.898 322 Q HN 0.314 nan 8.270 nan 0.000 0.426 323 K N -0.383 120.007 120.400 -0.017 0.000 2.057 323 K HA -0.052 4.269 4.320 0.001 0.000 0.207 323 K C 2.079 178.662 176.600 -0.027 0.000 1.049 323 K CA 1.028 57.298 56.287 -0.029 0.000 0.931 323 K CB -0.304 32.164 32.500 -0.054 0.000 0.714 323 K HN 0.280 nan 8.250 nan 0.000 0.440 324 A N 2.231 125.039 122.820 -0.020 0.000 1.917 324 A HA -0.232 4.089 4.320 0.001 0.000 0.219 324 A C 1.860 179.437 177.584 -0.012 0.000 1.182 324 A CA 1.807 53.836 52.037 -0.013 0.000 0.633 324 A CB -0.520 18.493 19.000 0.022 0.000 0.819 324 A HN 0.255 nan 8.150 nan 0.000 0.448 325 N N 0.227 118.924 118.700 -0.004 0.000 2.188 325 N HA -0.116 4.625 4.740 0.001 0.000 0.184 325 N C 1.105 176.612 175.510 -0.005 0.000 1.018 325 N CA 1.498 54.546 53.050 -0.004 0.000 0.858 325 N CB -0.423 38.065 38.487 0.001 0.000 0.989 325 N HN 0.455 nan 8.380 nan 0.000 0.426 326 D N 1.085 121.481 120.400 -0.007 0.000 2.097 326 D HA -0.117 4.523 4.640 0.001 0.000 0.195 326 D C 2.092 178.387 176.300 -0.009 0.000 0.989 326 D CA 0.398 54.395 54.000 -0.006 0.000 0.827 326 D CB -0.429 40.367 40.800 -0.007 0.000 0.966 326 D HN 0.129 nan 8.370 nan 0.000 0.456 327 L N 1.121 122.333 121.223 -0.018 0.000 2.042 327 L HA -0.036 4.305 4.340 0.001 0.000 0.210 327 L C 2.160 179.016 176.870 -0.023 0.000 1.076 327 L CA 2.269 57.093 54.840 -0.026 0.000 0.749 327 L CB -1.030 41.000 42.059 -0.049 0.000 0.893 327 L HN 0.060 nan 8.230 nan 0.000 0.432 328 G N -1.429 107.359 108.800 -0.020 0.000 2.422 328 G HA2 -0.346 3.614 3.960 0.001 0.000 0.218 328 G HA3 -0.346 3.614 3.960 0.001 0.000 0.218 328 G C 1.502 176.402 174.900 -0.000 0.000 1.146 328 G CA 0.887 45.980 45.100 -0.011 0.000 0.769 328 G HN 0.486 nan 8.290 nan 0.000 0.547 329 Q N 0.656 120.456 119.800 0.001 0.000 2.016 329 Q HA 0.018 4.358 4.340 0.001 0.000 0.200 329 Q C 2.538 178.543 176.000 0.009 0.000 0.978 329 Q CA 1.614 57.421 55.803 0.006 0.000 0.833 329 Q CB -0.269 28.472 28.738 0.005 0.000 0.895 329 Q HN 0.467 nan 8.270 nan 0.000 0.427 330 K N -0.171 120.233 120.400 0.008 0.000 2.044 330 K HA -0.157 4.163 4.320 0.001 0.000 0.210 330 K C 2.162 178.775 176.600 0.021 0.000 1.049 330 K CA 1.550 57.846 56.287 0.014 0.000 0.927 330 K CB -0.335 32.173 32.500 0.014 0.000 0.713 330 K HN 0.235 nan 8.250 nan 0.000 0.443 331 L N 1.162 122.395 121.223 0.017 0.000 2.017 331 L HA -0.207 4.133 4.340 0.001 0.000 0.208 331 L C 2.419 179.306 176.870 0.028 0.000 1.073 331 L CA 1.436 56.293 54.840 0.028 0.000 0.745 331 L CB -0.378 41.685 42.059 0.007 0.000 0.894 331 L HN 0.164 nan 8.230 nan 0.000 0.432 332 K N -0.247 120.165 120.400 0.020 0.000 2.097 332 K HA -0.173 4.148 4.320 0.001 0.000 0.206 332 K C 1.694 178.303 176.600 0.016 0.000 1.049 332 K CA 1.355 57.653 56.287 0.019 0.000 0.933 332 K CB -0.177 32.334 32.500 0.018 0.000 0.717 332 K HN 0.324 nan 8.250 nan 0.000 0.442 333 D N 0.099 120.508 120.400 0.016 0.000 2.117 333 D HA -0.098 4.542 4.640 0.001 0.000 0.198 333 D C 1.963 178.272 176.300 0.015 0.000 0.982 333 D CA 1.238 55.246 54.000 0.014 0.000 0.828 333 D CB -0.315 40.494 40.800 0.014 0.000 0.967 333 D HN 0.331 nan 8.370 nan 0.000 0.464 334 G N 0.845 109.658 108.800 0.022 0.000 2.418 334 G HA2 -0.178 3.782 3.960 0.001 0.000 0.217 334 G HA3 -0.178 3.782 3.960 0.001 0.000 0.217 334 G C 1.831 176.740 174.900 0.016 0.000 1.158 334 G CA 0.237 45.353 45.100 0.026 0.000 0.771 334 G HN 0.234 nan 8.290 nan 0.000 0.545 335 L N -0.121 121.110 121.223 0.014 0.000 2.093 335 L HA 0.067 4.408 4.340 0.001 0.000 0.208 335 L C 2.820 179.669 176.870 -0.035 0.000 1.085 335 L CA 0.383 55.216 54.840 -0.013 0.000 0.755 335 L CB -0.328 41.731 42.059 -0.001 0.000 0.904 335 L HN 0.158 nan 8.230 nan 0.000 0.435 336 L N -0.468 120.747 121.223 -0.014 0.000 2.191 336 L HA -0.175 4.165 4.340 0.001 0.000 0.212 336 L C 2.815 179.676 176.870 -0.015 0.000 1.103 336 L CA 0.900 55.732 54.840 -0.014 0.000 0.769 336 L CB -0.635 41.424 42.059 0.001 0.000 0.908 336 L HN 0.248 nan 8.230 nan 0.000 0.438 337 A N 0.380 123.195 122.820 -0.009 0.000 1.873 337 A HA -0.148 4.172 4.320 0.001 0.000 0.215 337 A C 2.185 179.766 177.584 -0.006 0.000 1.186 337 A CA 1.341 53.376 52.037 -0.003 0.000 0.616 337 A CB -0.535 18.469 19.000 0.006 0.000 0.823 337 A HN 0.335 nan 8.150 nan 0.000 0.442 338 I N -0.154 120.404 120.570 -0.020 0.000 2.315 338 I HA -0.248 3.922 4.170 0.001 0.000 0.248 338 I C 2.920 179.015 176.117 -0.038 0.000 1.117 338 I CA 0.881 62.169 61.300 -0.021 0.000 1.404 338 I CB -0.343 37.590 38.000 -0.111 0.000 1.071 338 I HN 0.354 nan 8.210 nan 0.000 0.419 339 A N 0.568 123.334 122.820 -0.089 0.000 1.978 339 A HA -0.256 4.065 4.320 0.001 0.000 0.220 339 A C 2.184 179.750 177.584 -0.031 0.000 1.170 339 A CA 1.768 53.757 52.037 -0.080 0.000 0.636 339 A CB -0.600 18.365 19.000 -0.059 0.000 0.810 339 A HN 0.456 nan 8.150 nan 0.000 0.448 340 E N -0.337 119.848 120.200 -0.025 0.000 2.118 340 E HA -0.197 4.153 4.350 0.001 0.000 0.195 340 E C 1.521 178.085 176.600 -0.060 0.000 0.992 340 E CA 1.468 57.851 56.400 -0.029 0.000 0.804 340 E CB -0.102 29.585 29.700 -0.022 0.000 0.741 340 E HN 0.646 nan 8.360 nan 0.000 0.458 341 K N -0.347 119.998 120.400 -0.092 0.000 2.374 341 K HA 0.095 4.415 4.320 0.001 0.000 0.196 341 K C -0.066 176.208 176.600 -0.544 0.000 1.023 341 K CA 0.218 56.349 56.287 -0.261 0.000 1.103 341 K CB 0.539 32.878 32.500 -0.268 0.000 0.848 341 K HN 0.107 nan 8.250 nan 0.000 0.528 342 H N -0.029 119.002 119.070 -0.065 0.000 3.108 342 H HA 0.132 4.689 4.556 0.001 0.000 0.301 342 H C -2.372 172.927 175.328 -0.048 0.000 1.139 342 H CA -1.836 54.179 56.048 -0.054 0.000 1.552 342 H CB 1.749 31.432 29.762 -0.131 0.000 1.663 342 H HN -0.131 nan 8.280 nan 0.000 0.517 343 P HA -0.152 nan 4.420 nan 0.000 0.219 343 P C 1.124 178.483 177.300 0.098 0.000 1.146 343 P CA 1.088 64.223 63.100 0.058 0.000 0.808 343 P CB 0.534 32.257 31.700 0.039 0.000 0.779 344 E N -0.574 119.707 120.200 0.134 0.000 2.267 344 E HA -0.096 4.254 4.350 0.001 0.000 0.197 344 E C 0.638 177.313 176.600 0.126 0.000 0.998 344 E CA 0.553 57.051 56.400 0.163 0.000 0.830 344 E CB -0.684 29.142 29.700 0.209 0.000 0.751 344 E HN 0.334 nan 8.360 nan 0.000 0.491 345 I N 1.068 121.668 120.570 0.048 0.000 2.293 345 I HA 0.072 4.242 4.170 0.001 0.000 0.299 345 I C 1.205 177.365 176.117 0.071 0.000 1.153 345 I CA -0.157 61.133 61.300 -0.016 0.000 1.302 345 I CB 0.801 38.705 38.000 -0.159 0.000 1.460 345 I HN 0.058 nan 8.210 nan 0.000 0.552 346 G N 3.824 112.719 108.800 0.158 0.000 3.042 346 G HA2 0.034 3.995 3.960 0.001 0.000 0.212 346 G HA3 0.034 3.995 3.960 0.001 0.000 0.212 346 G C -0.077 175.004 174.900 0.302 0.000 1.166 346 G CA 0.187 45.508 45.100 0.368 0.000 0.767 346 G HN 0.589 nan 8.290 nan 0.000 0.546 347 D N -1.094 119.379 120.400 0.122 0.000 2.746 347 D HA 0.278 4.919 4.640 0.001 0.000 0.211 347 D C -1.388 174.929 176.300 0.028 0.000 1.242 347 D CA -0.341 53.709 54.000 0.083 0.000 0.790 347 D CB 1.748 42.604 40.800 0.094 0.000 1.744 347 D HN -0.125 nan 8.370 nan 0.000 0.520 348 V N 4.400 124.332 119.914 0.030 0.000 2.376 348 V HA 0.705 4.825 4.120 0.001 0.000 0.287 348 V C -0.008 176.105 176.094 0.032 0.000 1.015 348 V CA -0.501 61.810 62.300 0.018 0.000 0.834 348 V CB 1.279 33.109 31.823 0.011 0.000 1.001 348 V HN 0.622 nan 8.190 nan 0.000 0.428 349 R N 3.093 123.617 120.500 0.039 0.000 2.831 349 R HA 0.991 5.332 4.340 0.001 0.000 0.266 349 R C -0.278 176.061 176.300 0.064 0.000 1.051 349 R CA -0.748 55.384 56.100 0.053 0.000 0.943 349 R CB 2.345 32.686 30.300 0.069 0.000 1.228 349 R HN 1.080 nan 8.270 nan 0.000 0.467 350 G N 0.628 109.461 108.800 0.054 0.000 2.312 350 G HA2 0.164 4.124 3.960 0.001 0.000 0.322 350 G HA3 0.164 4.124 3.960 0.001 0.000 0.322 350 G C -1.428 173.478 174.900 0.009 0.000 1.645 350 G CA -1.065 44.058 45.100 0.039 0.000 0.919 350 G HN 0.390 nan 8.290 nan 0.000 0.699 351 L N 2.381 123.591 121.223 -0.021 0.000 2.292 351 L HA 0.590 4.930 4.340 0.001 0.000 0.284 351 L C 1.664 178.513 176.870 -0.035 0.000 1.065 351 L CA 0.716 55.542 54.840 -0.023 0.000 0.806 351 L CB 0.991 43.032 42.059 -0.030 0.000 1.175 351 L HN 1.764 nan 8.230 nan 0.000 0.431 352 G N 3.063 111.851 108.800 -0.020 0.000 2.622 352 G HA2 -0.381 3.580 3.960 0.001 0.000 0.307 352 G HA3 -0.381 3.580 3.960 0.001 0.000 0.307 352 G C 0.569 175.455 174.900 -0.023 0.000 1.226 352 G CA 0.420 45.507 45.100 -0.021 0.000 0.997 352 G HN 0.925 nan 8.290 nan 0.000 0.551 353 A N -0.747 122.054 122.820 -0.032 0.000 2.460 353 A HA 0.678 4.999 4.320 0.001 0.000 0.258 353 A C 1.185 178.757 177.584 -0.019 0.000 1.300 353 A CA 1.008 53.027 52.037 -0.030 0.000 0.913 353 A CB -0.036 18.939 19.000 -0.041 0.000 1.031 353 A HN 0.768 nan 8.150 nan 0.000 0.512 354 M N 2.127 121.695 119.600 -0.052 0.000 3.396 354 M HA 0.298 4.778 4.480 0.001 0.000 0.255 354 M C -1.275 175.085 176.300 0.100 0.000 1.398 354 M CA -0.118 55.114 55.300 -0.113 0.000 1.554 354 M CB -0.342 32.001 32.600 -0.429 0.000 1.070 354 M HN 0.091 nan 8.290 nan 0.000 0.587 355 I N 2.093 122.809 120.570 0.243 0.000 2.428 355 I HA 0.720 4.890 4.170 0.001 0.000 0.296 355 I C 0.171 176.414 176.117 0.210 0.000 0.985 355 I CA -0.533 60.890 61.300 0.204 0.000 1.260 355 I CB 0.992 39.037 38.000 0.074 0.000 1.389 355 I HN 0.556 nan 8.210 nan 0.000 0.484 356 A N 6.846 129.735 122.820 0.115 0.000 2.609 356 A HA 0.892 5.212 4.320 0.001 0.000 0.291 356 A C -0.983 176.576 177.584 -0.042 0.000 1.096 356 A CA -0.571 51.433 52.037 -0.055 0.000 0.684 356 A CB 2.189 21.068 19.000 -0.202 0.000 1.282 356 A HN 0.686 nan 8.150 nan 0.000 0.412 357 I N -1.873 118.652 120.570 -0.074 0.000 2.647 357 I HA 0.809 4.979 4.170 0.001 0.000 0.295 357 I C -0.697 175.363 176.117 -0.095 0.000 1.078 357 I CA -0.533 60.735 61.300 -0.053 0.000 1.048 357 I CB 2.173 40.160 38.000 -0.022 0.000 1.239 357 I HN 0.753 nan 8.210 nan 0.000 0.421 358 E N 5.950 126.072 120.200 -0.129 0.000 2.158 358 E HA 0.570 4.921 4.350 0.001 0.000 0.271 358 E C -1.609 174.764 176.600 -0.378 0.000 0.911 358 E CA -0.776 55.469 56.400 -0.258 0.000 0.767 358 E CB 1.818 31.345 29.700 -0.289 0.000 1.120 358 E HN 0.676 nan 8.360 nan 0.000 0.405 359 L N 5.279 126.309 121.223 -0.321 0.000 2.289 359 L HA 0.481 4.822 4.340 0.001 0.000 0.285 359 L C -0.637 176.066 176.870 -0.279 0.000 1.049 359 L CA -0.574 54.151 54.840 -0.191 0.000 0.804 359 L CB 0.639 42.708 42.059 0.016 0.000 1.195 359 L HN 0.576 nan 8.230 nan 0.000 0.428 360 F N 0.577 120.606 119.950 0.131 0.000 2.540 360 F HA 0.296 4.824 4.527 0.001 0.000 0.317 360 F C 0.439 176.282 175.800 0.071 0.000 1.104 360 F CA -0.957 57.107 58.000 0.106 0.000 0.913 360 F CB 1.991 41.058 39.000 0.111 0.000 1.170 360 F HN 0.448 nan 8.300 nan 0.000 0.450 361 E N 3.123 123.485 120.200 0.270 0.000 2.383 361 E HA -0.040 4.310 4.350 0.001 0.000 0.257 361 E C -0.782 175.884 176.600 0.110 0.000 1.079 361 E CA 0.334 56.824 56.400 0.149 0.000 0.934 361 E CB 0.080 29.842 29.700 0.104 0.000 0.978 361 E HN 0.484 nan 8.360 nan 0.000 0.462 362 D N 3.419 123.876 120.400 0.094 0.000 2.735 362 D HA -0.194 4.446 4.640 0.001 0.000 0.235 362 D C 0.867 177.181 176.300 0.023 0.000 1.175 362 D CA 1.088 55.120 54.000 0.053 0.000 0.683 362 D CB -1.156 39.659 40.800 0.025 0.000 1.008 362 D HN 1.001 nan 8.370 nan 0.000 0.416 363 G N 1.075 109.913 108.800 0.064 0.000 2.320 363 G HA2 -0.359 3.601 3.960 0.001 0.000 0.291 363 G HA3 -0.359 3.601 3.960 0.001 0.000 0.291 363 G C 0.160 174.917 174.900 -0.239 0.000 0.994 363 G CA 0.818 45.910 45.100 -0.013 0.000 0.760 363 G HN 0.609 nan 8.290 nan 0.000 0.514 364 D N -0.289 120.001 120.400 -0.183 0.000 2.339 364 D HA 0.294 4.935 4.640 0.001 0.000 0.241 364 D C 1.361 177.308 176.300 -0.588 0.000 1.183 364 D CA -0.737 53.076 54.000 -0.312 0.000 0.859 364 D CB 0.146 40.856 40.800 -0.150 0.000 1.067 364 D HN 0.275 nan 8.370 nan 0.000 0.484 365 H N 3.227 121.867 119.070 -0.716 0.000 2.570 365 H HA -0.003 4.554 4.556 0.001 0.000 0.280 365 H C 0.565 175.514 175.328 -0.631 0.000 1.038 365 H CA 0.419 55.729 56.048 -1.229 0.000 1.186 365 H CB 0.158 29.527 29.762 -0.654 0.000 1.339 365 H HN 0.451 nan 8.280 nan 0.000 0.615 366 N N 0.319 118.849 118.700 -0.284 0.000 2.227 366 N HA 0.006 4.746 4.740 0.001 0.000 0.196 366 N C -0.097 175.363 175.510 -0.083 0.000 1.142 366 N CA 0.116 53.094 53.050 -0.121 0.000 0.887 366 N CB 0.950 39.383 38.487 -0.089 0.000 1.022 366 N HN 0.243 nan 8.380 nan 0.000 0.500 367 K N 2.482 122.855 120.400 -0.044 0.000 2.432 367 K HA 0.281 4.602 4.320 0.001 0.000 0.226 367 K C -2.596 174.162 176.600 0.263 0.000 1.057 367 K CA -1.511 54.813 56.287 0.062 0.000 1.034 367 K CB 1.637 34.164 32.500 0.045 0.000 1.561 367 K HN 0.025 nan 8.250 nan 0.000 0.492 368 P HA -0.043 nan 4.420 nan 0.000 0.271 368 P C -0.731 176.681 177.300 0.186 0.000 1.226 368 P CA -0.021 63.260 63.100 0.303 0.000 0.765 368 P CB 0.811 32.606 31.700 0.159 0.000 0.835 369 D N 3.097 123.595 120.400 0.163 0.000 2.524 369 D HA 0.262 4.903 4.640 0.001 0.000 0.222 369 D C 1.326 177.678 176.300 0.087 0.000 1.142 369 D CA -0.443 53.625 54.000 0.114 0.000 0.973 369 D CB 0.239 41.106 40.800 0.112 0.000 1.025 369 D HN 0.277 nan 8.370 nan 0.000 0.519 370 A N 3.877 126.762 122.820 0.108 0.000 2.015 370 A HA -0.129 4.192 4.320 0.001 0.000 0.219 370 A C 2.121 179.733 177.584 0.046 0.000 1.163 370 A CA 0.854 52.958 52.037 0.110 0.000 0.646 370 A CB 0.005 19.113 19.000 0.180 0.000 0.806 370 A HN 0.281 nan 8.150 nan 0.000 0.448 371 K N -0.487 119.934 120.400 0.035 0.000 2.026 371 K HA -0.105 4.215 4.320 0.001 0.000 0.208 371 K C 1.900 178.492 176.600 -0.014 0.000 1.048 371 K CA 1.229 57.519 56.287 0.005 0.000 0.929 371 K CB -0.890 31.617 32.500 0.011 0.000 0.713 371 K HN 0.446 nan 8.250 nan 0.000 0.439 372 L N 1.709 122.931 121.223 -0.002 0.000 2.046 372 L HA -0.144 4.197 4.340 0.001 0.000 0.208 372 L C 2.084 178.904 176.870 -0.084 0.000 1.077 372 L CA 1.949 56.768 54.840 -0.034 0.000 0.747 372 L CB -1.072 40.997 42.059 0.018 0.000 0.896 372 L HN 0.153 nan 8.230 nan 0.000 0.432 373 T N 0.013 114.543 114.554 -0.040 0.000 2.635 373 T HA -0.236 4.114 4.350 0.001 0.000 0.267 373 T C 1.870 176.524 174.700 -0.078 0.000 1.040 373 T CA 1.701 63.769 62.100 -0.053 0.000 1.156 373 T CB -0.623 68.241 68.868 -0.006 0.000 0.863 373 T HN 0.545 nan 8.240 nan 0.000 0.430 374 A N 0.918 123.703 122.820 -0.058 0.000 1.969 374 A HA -0.103 4.217 4.320 0.001 0.000 0.218 374 A C 2.200 179.732 177.584 -0.085 0.000 1.169 374 A CA 1.814 53.809 52.037 -0.070 0.000 0.635 374 A CB -0.540 18.421 19.000 -0.064 0.000 0.810 374 A HN 0.631 nan 8.150 nan 0.000 0.445 375 E N -0.194 119.948 120.200 -0.097 0.000 2.072 375 E HA -0.155 4.195 4.350 0.001 0.000 0.191 375 E C 1.792 178.299 176.600 -0.155 0.000 0.985 375 E CA 1.146 57.480 56.400 -0.110 0.000 0.801 375 E CB -0.119 29.516 29.700 -0.108 0.000 0.750 375 E HN 0.493 nan 8.360 nan 0.000 0.452 376 I N 1.052 121.483 120.570 -0.232 0.000 2.208 376 I HA -0.223 3.947 4.170 0.001 0.000 0.245 376 I C 2.497 178.505 176.117 -0.181 0.000 1.097 376 I CA 0.818 61.926 61.300 -0.319 0.000 1.363 376 I CB -1.077 36.615 38.000 -0.513 0.000 1.051 376 I HN 0.106 nan 8.210 nan 0.000 0.413 377 V N 1.373 121.217 119.914 -0.116 0.000 2.343 377 V HA -0.263 3.857 4.120 0.001 0.000 0.247 377 V C 2.820 178.912 176.094 -0.003 0.000 1.051 377 V CA 1.856 64.132 62.300 -0.039 0.000 1.036 377 V CB -1.033 30.771 31.823 -0.031 0.000 0.654 377 V HN 0.463 nan 8.190 nan 0.000 0.451 378 A N -0.084 122.715 122.820 -0.034 0.000 1.873 378 A HA -0.204 4.117 4.320 0.001 0.000 0.215 378 A C 2.364 179.932 177.584 -0.025 0.000 1.186 378 A CA 1.739 53.767 52.037 -0.015 0.000 0.616 378 A CB -0.465 18.514 19.000 -0.035 0.000 0.823 378 A HN 0.507 nan 8.150 nan 0.000 0.442 379 R N -0.478 119.984 120.500 -0.065 0.000 2.092 379 R HA -0.036 4.305 4.340 0.001 0.000 0.231 379 R C 2.462 178.721 176.300 -0.069 0.000 1.119 379 R CA 1.107 57.164 56.100 -0.072 0.000 0.970 379 R CB -0.465 29.771 30.300 -0.107 0.000 0.864 379 R HN 0.507 nan 8.270 nan 0.000 0.440 380 A N 1.358 124.130 122.820 -0.080 0.000 1.908 380 A HA -0.183 4.137 4.320 0.001 0.000 0.218 380 A C 2.145 179.693 177.584 -0.060 0.000 1.181 380 A CA 1.190 53.176 52.037 -0.085 0.000 0.627 380 A CB -0.456 18.491 19.000 -0.088 0.000 0.818 380 A HN 0.107 nan 8.150 nan 0.000 0.445 381 R N -0.090 120.399 120.500 -0.019 0.000 2.092 381 R HA -0.139 4.202 4.340 0.001 0.000 0.231 381 R C 1.112 177.436 176.300 0.041 0.000 1.119 381 R CA 1.787 57.895 56.100 0.013 0.000 0.970 381 R CB -0.638 29.700 30.300 0.062 0.000 0.864 381 R HN 0.451 nan 8.270 nan 0.000 0.440 382 D N 0.621 121.026 120.400 0.009 0.000 2.218 382 D HA -0.111 4.529 4.640 0.001 0.000 0.204 382 D C 0.924 177.200 176.300 -0.041 0.000 0.976 382 D CA 1.167 55.164 54.000 -0.005 0.000 0.853 382 D CB 0.079 40.869 40.800 -0.017 0.000 0.939 382 D HN 0.261 nan 8.370 nan 0.000 0.481 383 K N -0.622 119.743 120.400 -0.058 0.000 2.410 383 K HA 0.268 4.589 4.320 0.001 0.000 0.200 383 K C 0.857 177.382 176.600 -0.124 0.000 1.023 383 K CA 0.240 56.473 56.287 -0.089 0.000 1.149 383 K CB 0.908 33.355 32.500 -0.088 0.000 0.859 383 K HN 0.054 nan 8.250 nan 0.000 0.514 384 G N 1.715 110.444 108.800 -0.118 0.000 2.136 384 G HA2 -0.245 3.715 3.960 0.001 0.000 0.242 384 G HA3 -0.245 3.715 3.960 0.001 0.000 0.242 384 G C -0.449 174.405 174.900 -0.078 0.000 0.989 384 G CA -0.107 44.888 45.100 -0.176 0.000 0.682 384 G HN 0.240 nan 8.290 nan 0.000 0.522 385 L N 1.313 122.485 121.223 -0.084 0.000 2.333 385 L HA 0.743 5.084 4.340 0.001 0.000 0.280 385 L C -0.184 176.594 176.870 -0.153 0.000 1.004 385 L CA -1.296 53.440 54.840 -0.174 0.000 0.820 385 L CB 1.064 42.948 42.059 -0.292 0.000 1.247 385 L HN 0.044 nan 8.230 nan 0.000 0.416 386 I N 6.631 127.102 120.570 -0.164 0.000 2.312 386 I HA 0.346 4.517 4.170 0.001 0.000 0.291 386 I C -0.100 175.995 176.117 -0.036 0.000 1.031 386 I CA -0.113 61.039 61.300 -0.245 0.000 1.293 386 I CB 0.583 38.415 38.000 -0.281 0.000 1.403 386 I HN 0.567 nan 8.210 nan 0.000 0.484 387 L N 6.560 127.812 121.223 0.047 0.000 2.301 387 L HA 0.658 4.999 4.340 0.001 0.000 0.264 387 L C -0.528 176.440 176.870 0.162 0.000 1.016 387 L CA -0.837 54.074 54.840 0.118 0.000 0.821 387 L CB 2.797 44.897 42.059 0.068 0.000 1.346 387 L HN 0.331 nan 8.230 nan 0.000 0.429 388 L N 0.203 121.460 121.223 0.056 0.000 2.371 388 L HA 0.596 4.937 4.340 0.001 0.000 0.262 388 L C -0.361 176.463 176.870 -0.077 0.000 1.006 388 L CA -0.403 54.430 54.840 -0.012 0.000 0.818 388 L CB 2.460 44.499 42.059 -0.032 0.000 1.354 388 L HN 0.739 nan 8.230 nan 0.000 0.415 389 S N -0.081 115.565 115.700 -0.090 0.000 2.726 389 S HA 0.898 5.368 4.470 0.001 0.000 0.308 389 S C -0.397 174.128 174.600 -0.125 0.000 1.115 389 S CA -0.505 57.631 58.200 -0.106 0.000 0.965 389 S CB 2.124 65.293 63.200 -0.052 0.000 1.145 389 S HN 0.944 nan 8.310 nan 0.000 0.532 390 C N -2.157 117.059 119.300 -0.140 0.000 3.263 390 C HA 0.978 5.438 4.460 0.001 0.000 0.369 390 C C 0.285 175.180 174.990 -0.158 0.000 1.634 390 C CA -0.102 58.828 59.018 -0.148 0.000 1.143 390 C CB 0.165 27.771 27.740 -0.223 0.000 1.910 390 C HN 2.644 nan 8.230 nan 0.000 0.425 391 G N 0.855 109.547 108.800 -0.181 0.000 2.788 391 G HA2 0.136 4.096 3.960 0.001 0.000 0.686 391 G HA3 0.136 4.096 3.960 0.001 0.000 0.686 391 G C -1.667 173.006 174.900 -0.378 0.000 1.147 391 G CA -0.002 44.986 45.100 -0.187 0.000 0.755 391 G HN 0.886 nan 8.290 nan 0.000 0.634 392 P HA -0.117 nan 4.420 nan 0.000 0.223 392 P C 0.690 177.230 177.300 -1.266 0.000 1.144 392 P CA 1.530 64.162 63.100 -0.781 0.000 0.783 392 P CB -0.021 31.234 31.700 -0.740 0.000 0.771 393 Y N -2.582 117.375 120.300 -0.571 0.000 2.531 393 Y HA 0.214 4.764 4.550 0.001 0.000 0.249 393 Y C 0.270 175.948 175.900 -0.370 0.000 1.168 393 Y CA -0.677 57.123 58.100 -0.499 0.000 1.226 393 Y CB -0.341 38.033 38.460 -0.143 0.000 1.177 393 Y HN -0.223 nan 8.280 nan 0.000 0.527 394 Y N 0.424 120.742 120.300 0.030 0.000 3.589 394 Y HA -0.322 4.228 4.550 0.001 0.000 0.218 394 Y C 0.519 176.418 175.900 -0.000 0.000 1.234 394 Y CA 0.539 58.633 58.100 -0.010 0.000 1.576 394 Y CB -2.281 36.170 38.460 -0.016 0.000 1.487 394 Y HN 0.484 nan 8.280 nan 0.000 0.616 395 N N -1.338 117.404 118.700 0.070 0.000 2.299 395 N HA 0.292 5.032 4.740 0.001 0.000 0.246 395 N C -0.814 174.659 175.510 -0.060 0.000 1.254 395 N CA 0.041 53.107 53.050 0.026 0.000 0.879 395 N CB 0.489 39.002 38.487 0.043 0.000 1.214 395 N HN 0.169 nan 8.380 nan 0.000 0.510 396 V N 1.579 121.442 119.914 -0.086 0.000 2.448 396 V HA 0.435 4.556 4.120 0.001 0.000 0.295 396 V C -0.138 175.852 176.094 -0.174 0.000 1.025 396 V CA -0.740 61.466 62.300 -0.156 0.000 0.859 396 V CB 2.208 33.893 31.823 -0.230 0.000 0.988 396 V HN 0.158 nan 8.190 nan 0.000 0.431 397 L N 6.578 127.710 121.223 -0.151 0.000 2.272 397 L HA 0.635 4.976 4.340 0.001 0.000 0.289 397 L C 0.372 177.104 176.870 -0.229 0.000 1.032 397 L CA -0.401 54.358 54.840 -0.135 0.000 0.810 397 L CB 1.125 43.169 42.059 -0.024 0.000 1.205 397 L HN 0.725 nan 8.230 nan 0.000 0.422 398 R N 3.910 124.214 120.500 -0.327 0.000 2.787 398 R HA 0.809 5.150 4.340 0.001 0.000 0.271 398 R C -1.063 175.120 176.300 -0.194 0.000 0.993 398 R CA -0.872 54.928 56.100 -0.501 0.000 0.993 398 R CB 1.857 31.479 30.300 -1.131 0.000 1.155 398 R HN 0.427 nan 8.270 nan 0.000 0.486 399 I N 2.591 123.103 120.570 -0.095 0.000 2.439 399 I HA 0.224 4.395 4.170 0.001 0.000 0.285 399 I C -0.237 175.866 176.117 -0.023 0.000 1.021 399 I CA -0.671 60.599 61.300 -0.050 0.000 1.091 399 I CB 1.922 39.864 38.000 -0.095 0.000 1.242 399 I HN 0.552 nan 8.210 nan 0.000 0.439 400 L N 7.109 128.307 121.223 -0.043 0.000 3.218 400 L HA 0.298 4.638 4.340 0.001 0.000 0.279 400 L C 0.174 176.992 176.870 -0.087 0.000 1.287 400 L CA -0.221 54.613 54.840 -0.011 0.000 1.024 400 L CB 1.162 43.255 42.059 0.056 0.000 1.409 400 L HN 0.393 nan 8.230 nan 0.000 0.580 401 V N 1.616 121.384 119.914 -0.243 0.000 2.872 401 V HA 0.193 4.314 4.120 0.001 0.000 0.307 401 V C -1.786 174.211 176.094 -0.161 0.000 1.072 401 V CA -1.067 61.074 62.300 -0.265 0.000 1.148 401 V CB 1.124 32.501 31.823 -0.742 0.000 0.954 401 V HN 0.107 nan 8.190 nan 0.000 0.490 402 P HA 0.037 nan 4.420 nan 0.000 0.265 402 P C 0.656 177.907 177.300 -0.081 0.000 1.187 402 P CA 0.399 63.459 63.100 -0.065 0.000 0.766 402 P CB 0.309 31.993 31.700 -0.026 0.000 0.820 403 L N 1.736 122.906 121.223 -0.088 0.000 2.465 403 L HA -0.074 4.266 4.340 0.001 0.000 0.224 403 L C 1.774 178.585 176.870 -0.098 0.000 1.145 403 L CA 1.348 56.126 54.840 -0.104 0.000 0.834 403 L CB -1.042 40.932 42.059 -0.141 0.000 0.944 403 L HN 0.466 nan 8.230 nan 0.000 0.451 404 T N -2.741 111.768 114.554 -0.074 0.000 3.169 404 T HA 0.139 4.490 4.350 0.001 0.000 0.250 404 T C 0.780 175.471 174.700 -0.015 0.000 1.111 404 T CA -0.331 61.745 62.100 -0.040 0.000 1.010 404 T CB -0.271 68.599 68.868 0.003 0.000 0.984 404 T HN 0.151 nan 8.240 nan 0.000 0.537 405 I N 2.053 122.612 120.570 -0.019 0.000 2.815 405 I HA 0.055 4.226 4.170 0.001 0.000 0.291 405 I C 0.152 176.275 176.117 0.011 0.000 1.209 405 I CA -0.139 61.166 61.300 0.007 0.000 1.431 405 I CB 0.649 38.649 38.000 -0.000 0.000 1.351 405 I HN 0.271 nan 8.210 nan 0.000 0.585 406 E N 5.627 125.843 120.200 0.026 0.000 2.349 406 E HA 0.034 4.385 4.350 0.001 0.000 0.262 406 E C 0.424 177.042 176.600 0.029 0.000 1.088 406 E CA -0.537 55.877 56.400 0.022 0.000 0.899 406 E CB 0.689 30.404 29.700 0.025 0.000 1.044 406 E HN 0.557 nan 8.360 nan 0.000 0.420 407 D N 1.694 122.107 120.400 0.021 0.000 2.123 407 D HA -0.216 4.424 4.640 0.001 0.000 0.196 407 D C 1.715 178.035 176.300 0.032 0.000 0.992 407 D CA 1.609 55.623 54.000 0.024 0.000 0.833 407 D CB -0.149 40.661 40.800 0.017 0.000 0.954 407 D HN 0.522 nan 8.370 nan 0.000 0.455 408 A N 0.909 123.746 122.820 0.028 0.000 1.972 408 A HA -0.218 4.103 4.320 0.001 0.000 0.219 408 A C 2.109 179.715 177.584 0.036 0.000 1.169 408 A CA 1.307 53.360 52.037 0.026 0.000 0.635 408 A CB -0.539 18.472 19.000 0.019 0.000 0.810 408 A HN 0.252 nan 8.150 nan 0.000 0.446 409 Q N -0.610 119.220 119.800 0.050 0.000 2.230 409 Q HA -0.006 4.335 4.340 0.001 0.000 0.202 409 Q C 1.884 177.965 176.000 0.136 0.000 0.963 409 Q CA 1.067 56.916 55.803 0.075 0.000 0.866 409 Q CB -0.250 28.543 28.738 0.091 0.000 0.931 409 Q HN 0.751 nan 8.270 nan 0.000 0.452 410 I N 0.553 121.196 120.570 0.122 0.000 2.202 410 I HA -0.282 3.888 4.170 0.001 0.000 0.242 410 I C 2.304 178.502 176.117 0.134 0.000 1.091 410 I CA 1.235 62.628 61.300 0.155 0.000 1.368 410 I CB -0.252 37.798 38.000 0.082 0.000 1.058 410 I HN 0.163 nan 8.210 nan 0.000 0.410 411 R N 0.485 121.031 120.500 0.076 0.000 2.073 411 R HA -0.234 4.106 4.340 0.001 0.000 0.234 411 R C 2.280 178.601 176.300 0.034 0.000 1.134 411 R CA 1.611 57.741 56.100 0.051 0.000 0.952 411 R CB -0.601 29.717 30.300 0.031 0.000 0.850 411 R HN 0.480 nan 8.270 nan 0.000 0.433 412 Q N 0.648 120.460 119.800 0.020 0.000 2.077 412 Q HA -0.168 4.172 4.340 0.001 0.000 0.206 412 Q C 2.095 178.050 176.000 -0.074 0.000 0.989 412 Q CA 2.073 57.861 55.803 -0.025 0.000 0.853 412 Q CB -0.373 28.343 28.738 -0.036 0.000 0.907 412 Q HN 0.425 nan 8.270 nan 0.000 0.418 413 G N 0.929 109.677 108.800 -0.085 0.000 2.418 413 G HA2 -0.227 3.733 3.960 0.001 0.000 0.217 413 G HA3 -0.227 3.733 3.960 0.001 0.000 0.217 413 G C 1.404 176.239 174.900 -0.109 0.000 1.158 413 G CA 0.926 45.845 45.100 -0.302 0.000 0.771 413 G HN 0.332 nan 8.290 nan 0.000 0.545 414 L N -0.119 121.136 121.223 0.054 0.000 2.056 414 L HA -0.016 4.325 4.340 0.001 0.000 0.207 414 L C 2.884 179.774 176.870 0.033 0.000 1.078 414 L CA 0.981 55.865 54.840 0.073 0.000 0.749 414 L CB -0.299 41.813 42.059 0.088 0.000 0.901 414 L HN 0.096 nan 8.230 nan 0.000 0.433 415 E N 0.555 120.762 120.200 0.012 0.000 2.118 415 E HA -0.205 4.146 4.350 0.001 0.000 0.195 415 E C 2.207 178.802 176.600 -0.008 0.000 0.992 415 E CA 1.380 57.784 56.400 0.006 0.000 0.804 415 E CB -0.123 29.575 29.700 -0.003 0.000 0.741 415 E HN 0.488 nan 8.360 nan 0.000 0.458 416 I N 0.278 120.819 120.570 -0.048 0.000 2.202 416 I HA -0.256 3.915 4.170 0.001 0.000 0.242 416 I C 2.459 178.552 176.117 -0.040 0.000 1.091 416 I CA 0.737 61.995 61.300 -0.070 0.000 1.368 416 I CB -0.231 37.684 38.000 -0.140 0.000 1.058 416 I HN 0.057 nan 8.210 nan 0.000 0.410 417 I N 0.015 120.574 120.570 -0.017 0.000 2.208 417 I HA -0.339 3.832 4.170 0.001 0.000 0.245 417 I C 2.804 179.019 176.117 0.162 0.000 1.097 417 I CA 1.502 62.842 61.300 0.066 0.000 1.363 417 I CB -0.337 37.736 38.000 0.123 0.000 1.051 417 I HN 0.249 nan 8.210 nan 0.000 0.413 418 S N 0.351 116.120 115.700 0.115 0.000 2.359 418 S HA -0.272 4.198 4.470 0.001 0.000 0.224 418 S C 2.010 176.680 174.600 0.116 0.000 1.035 418 S CA 1.666 59.941 58.200 0.125 0.000 1.018 418 S CB -0.187 63.061 63.200 0.080 0.000 0.876 418 S HN 0.447 nan 8.310 nan 0.000 0.448 419 Q N -0.431 119.404 119.800 0.059 0.000 2.124 419 Q HA -0.106 4.235 4.340 0.001 0.000 0.202 419 Q C 2.555 178.561 176.000 0.009 0.000 0.977 419 Q CA 1.726 57.549 55.803 0.035 0.000 0.850 419 Q CB -0.410 28.330 28.738 0.002 0.000 0.901 419 Q HN 0.650 nan 8.270 nan 0.000 0.429 420 C N -0.364 118.918 119.300 -0.030 0.000 2.432 420 C HA -0.131 4.329 4.460 0.001 0.000 0.277 420 C C 2.266 177.138 174.990 -0.197 0.000 1.249 420 C CA 0.520 59.458 59.018 -0.134 0.000 1.725 420 C CB -1.026 26.584 27.740 -0.216 0.000 2.028 420 C HN 0.456 nan 8.230 nan 0.000 0.477 421 F N 1.424 121.260 119.950 -0.190 0.000 2.102 421 F HA -0.135 4.393 4.527 0.001 0.000 0.298 421 F C 2.181 177.854 175.800 -0.213 0.000 1.105 421 F CA 1.960 59.735 58.000 -0.375 0.000 1.239 421 F CB -0.625 37.861 39.000 -0.856 0.000 0.991 421 F HN 0.195 nan 8.300 nan 0.000 0.474 422 D N 0.297 120.781 120.400 0.140 0.000 2.103 422 D HA -0.194 4.447 4.640 0.001 0.000 0.190 422 D C 2.022 178.404 176.300 0.137 0.000 0.997 422 D CA 1.625 55.773 54.000 0.248 0.000 0.833 422 D CB -0.525 40.384 40.800 0.181 0.000 0.961 422 D HN 0.350 nan 8.370 nan 0.000 0.447 423 E N -0.000 120.234 120.200 0.058 0.000 2.338 423 E HA -0.037 4.314 4.350 0.001 0.000 0.197 423 E C 1.679 178.285 176.600 0.010 0.000 1.007 423 E CA 0.664 57.078 56.400 0.024 0.000 0.849 423 E CB -0.002 29.695 29.700 -0.005 0.000 0.774 423 E HN 0.202 nan 8.360 nan 0.000 0.506 424 A N 0.969 123.787 122.820 -0.003 0.000 2.208 424 A HA -0.068 4.253 4.320 0.001 0.000 0.209 424 A C 1.674 179.283 177.584 0.040 0.000 1.161 424 A CA 0.512 52.538 52.037 -0.019 0.000 0.782 424 A CB 0.024 18.964 19.000 -0.100 0.000 0.816 424 A HN 0.028 nan 8.150 nan 0.000 0.477 425 K N 0.366 120.820 120.400 0.089 0.000 1.995 425 K HA -0.049 4.272 4.320 0.001 0.000 0.207 425 K C 1.251 177.886 176.600 0.058 0.000 1.041 425 K CA 0.885 57.233 56.287 0.102 0.000 0.942 425 K CB -0.250 32.333 32.500 0.137 0.000 0.731 425 K HN 0.703 nan 8.250 nan 0.000 0.439 426 Q N 0.000 119.828 119.800 0.047 0.000 2.315 426 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 426 Q CA 0.000 55.821 55.803 0.029 0.000 1.022 426 Q CB 0.000 28.753 28.738 0.025 0.000 1.108 426 Q HN 0.000 nan 8.270 nan 0.000 0.481