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 3o4h_1_B DATA FIRST_RESID 7 DATA SEQUENCE VEFSRIVRDV ERLIAVEKYS LQGVVDGDKL LVVGFSEGSV NAYLYDGGET DATA SEQUENCE VKLNREPINS VLDPHYGVGR VILVRDVSKG AEQHALFKVN TSRPGEEQRL DATA SEQUENCE EAVKPMRILS GVDTGEAVVF TGATEDRVAL YALDGGGLRE LARLPGFGFV DATA SEQUENCE SDIRGDLIAG LGFFGGGRVS LFTSNLSSGG LRVFDSGEGS FSSASISPGM DATA SEQUENCE KVTAGLETAR EARLVTVDPR DGSVEDLELP SKDFSSYRPT AITWLGYLPD DATA SEQUENCE GRLAVVARRE GRSAVFIDGE RVEAPQGNHG RVVLWRGKLV TSHTSLSTPP DATA SEQUENCE RIVSLPSGEP LLEGGLPEDL RRSIAGSRLV WVESFDGSRV PTYVLESGRA DATA SEQUENCE PTPGPTVVLV HGGPFAEDSD SWDTFAASLA AAGFHVVMPN YRGSTGYGEE DATA SEQUENCE WRLKIIGDPC GGELEDVSAA ARWARESGLA SELYIMGYSY GGYMTLCALT DATA SEQUENCE MKPGLFKAGV AGASVVDWEE MYELSDAAFR NFIEQLTGGS REIMRSRSPI DATA SEQUENCE NHVDRIKEPL ALIHPQNASR TPLKPLLRLM GELLARGKTF EAHIIPDAGH DATA SEQUENCE AINTMEDAVK ILLPAVFFLA TQRE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 175.736 176.094 -0.597 0.000 1.182 7 V CA 0.000 62.011 62.300 -0.481 0.000 1.235 7 V CB 0.000 31.588 31.823 -0.392 0.000 1.184 8 E N 1.126 121.057 120.200 -0.447 0.000 2.026 8 E HA 0.461 4.372 4.350 -0.732 0.000 0.253 8 E C 0.076 176.524 176.600 -0.252 0.000 1.056 8 E CA -0.312 55.930 56.400 -0.263 0.000 0.927 8 E CB 0.293 29.911 29.700 -0.136 0.000 1.172 8 E HN 0.540 nan 8.360 nan 0.000 0.445 9 F N 0.705 120.535 119.950 -0.199 0.000 2.102 9 F HA -0.251 3.839 4.527 -0.730 0.000 0.298 9 F C 2.693 178.452 175.800 -0.068 0.000 1.105 9 F CA 1.504 59.297 58.000 -0.345 0.000 1.239 9 F CB -0.448 38.224 39.000 -0.546 0.000 0.991 9 F HN 0.359 nan 8.300 nan 0.000 0.474 10 S N 0.100 115.898 115.700 0.163 0.000 2.402 10 S HA -0.206 3.824 4.470 -0.732 0.000 0.229 10 S C 2.073 176.742 174.600 0.115 0.000 1.021 10 S CA 0.981 59.266 58.200 0.142 0.000 0.974 10 S CB -0.668 62.588 63.200 0.093 0.000 0.800 10 S HN 0.380 nan 8.310 nan 0.000 0.484 11 R N 1.151 121.697 120.500 0.077 0.000 2.073 11 R HA 0.079 3.980 4.340 -0.732 0.000 0.234 11 R C 2.229 178.584 176.300 0.091 0.000 1.134 11 R CA 1.637 57.773 56.100 0.060 0.000 0.952 11 R CB -0.553 29.759 30.300 0.020 0.000 0.850 11 R HN 0.494 nan 8.270 nan 0.000 0.433 12 I N 0.190 120.839 120.570 0.131 0.000 2.208 12 I HA -0.300 3.431 4.170 -0.732 0.000 0.245 12 I C 2.120 178.355 176.117 0.197 0.000 1.097 12 I CA 1.208 62.625 61.300 0.195 0.000 1.363 12 I CB -0.153 38.051 38.000 0.340 0.000 1.051 12 I HN 0.072 nan 8.210 nan 0.000 0.413 13 V N 0.515 120.577 119.914 0.246 0.000 2.358 13 V HA -0.224 3.456 4.120 -0.732 0.000 0.246 13 V C 2.505 178.657 176.094 0.097 0.000 1.047 13 V CA 1.685 64.088 62.300 0.173 0.000 1.035 13 V CB -0.767 31.186 31.823 0.216 0.000 0.658 13 V HN 0.353 nan 8.190 nan 0.000 0.452 14 R N 0.043 120.599 120.500 0.092 0.000 2.096 14 R HA -0.169 3.732 4.340 -0.732 0.000 0.235 14 R C 2.062 178.395 176.300 0.055 0.000 1.127 14 R CA 1.769 57.907 56.100 0.062 0.000 0.968 14 R CB -0.412 29.921 30.300 0.055 0.000 0.861 14 R HN 0.505 nan 8.270 nan 0.000 0.440 15 D N -0.043 120.395 120.400 0.063 0.000 2.123 15 D HA -0.085 4.115 4.640 -0.732 0.000 0.200 15 D C 1.968 178.299 176.300 0.051 0.000 0.976 15 D CA 0.827 54.862 54.000 0.059 0.000 0.831 15 D CB -0.104 40.736 40.800 0.065 0.000 0.974 15 D HN -0.034 nan 8.370 nan 0.000 0.469 16 V N 1.218 121.156 119.914 0.039 0.000 2.343 16 V HA -0.227 3.454 4.120 -0.732 0.000 0.247 16 V C 2.260 178.355 176.094 0.002 0.000 1.051 16 V CA 1.605 63.905 62.300 0.000 0.000 1.036 16 V CB -0.401 31.399 31.823 -0.039 0.000 0.654 16 V HN 0.204 nan 8.190 nan 0.000 0.451 17 E N -0.135 120.073 120.200 0.014 0.000 2.058 17 E HA -0.268 3.642 4.350 -0.732 0.000 0.194 17 E C 2.463 179.075 176.600 0.020 0.000 0.997 17 E CA 1.547 57.954 56.400 0.012 0.000 0.801 17 E CB -0.201 29.510 29.700 0.019 0.000 0.746 17 E HN 0.542 nan 8.360 nan 0.000 0.450 18 R N 0.327 120.846 120.500 0.032 0.000 2.081 18 R HA -0.095 3.805 4.340 -0.732 0.000 0.235 18 R C 2.467 178.800 176.300 0.056 0.000 1.131 18 R CA 0.961 57.083 56.100 0.037 0.000 0.960 18 R CB -0.264 30.061 30.300 0.043 0.000 0.856 18 R HN 0.166 nan 8.270 nan 0.000 0.436 19 L N 0.011 121.285 121.223 0.085 0.000 2.093 19 L HA -0.165 3.736 4.340 -0.732 0.000 0.208 19 L C 2.052 179.006 176.870 0.139 0.000 1.085 19 L CA 0.665 55.605 54.840 0.166 0.000 0.755 19 L CB -0.302 41.859 42.059 0.171 0.000 0.904 19 L HN 0.137 nan 8.230 nan 0.000 0.435 20 I N 0.404 121.007 120.570 0.054 0.000 2.252 20 I HA -0.195 3.535 4.170 -0.732 0.000 0.245 20 I C 2.621 178.752 176.117 0.024 0.000 1.102 20 I CA 1.426 62.741 61.300 0.025 0.000 1.385 20 I CB -1.230 36.759 38.000 -0.019 0.000 1.064 20 I HN 0.119 nan 8.210 nan 0.000 0.414 21 A N -0.197 122.632 122.820 0.016 0.000 2.123 21 A HA 0.029 3.909 4.320 -0.732 0.000 0.214 21 A C 1.380 178.953 177.584 -0.018 0.000 1.152 21 A CA 0.074 52.111 52.037 0.001 0.000 0.728 21 A CB -0.540 18.461 19.000 0.001 0.000 0.814 21 A HN 0.123 nan 8.150 nan 0.000 0.464 22 V N 1.370 121.270 119.914 -0.024 0.000 2.617 22 V HA 0.021 3.701 4.120 -0.732 0.000 0.304 22 V C 0.410 176.427 176.094 -0.128 0.000 1.040 22 V CA -0.100 62.154 62.300 -0.077 0.000 1.149 22 V CB 0.385 32.136 31.823 -0.121 0.000 0.914 22 V HN 0.625 nan 8.190 nan 0.000 0.487 23 E N 5.774 125.880 120.200 -0.157 0.000 2.344 23 E HA 0.238 4.148 4.350 -0.732 0.000 0.270 23 E C -0.456 175.875 176.600 -0.448 0.000 1.021 23 E CA -0.102 56.115 56.400 -0.305 0.000 0.887 23 E CB 0.520 30.003 29.700 -0.362 0.000 0.997 23 E HN 0.690 nan 8.360 nan 0.000 0.429 24 K N 3.465 123.601 120.400 -0.439 0.000 2.270 24 K HA 0.344 4.224 4.320 -0.732 0.000 0.255 24 K C -1.362 175.040 176.600 -0.330 0.000 0.936 24 K CA -0.644 55.448 56.287 -0.325 0.000 0.809 24 K CB 1.389 33.781 32.500 -0.181 0.000 1.131 24 K HN 0.392 nan 8.250 nan 0.000 0.427 25 Y N 0.198 120.520 120.300 0.038 0.000 2.446 25 Y HA 0.339 4.450 4.550 -0.731 0.000 0.345 25 Y C 0.194 176.137 175.900 0.072 0.000 0.984 25 Y CA -0.764 57.376 58.100 0.066 0.000 1.058 25 Y CB 2.342 40.764 38.460 -0.064 0.000 1.220 25 Y HN 0.612 nan 8.280 nan 0.000 0.455 26 S N 2.352 118.226 115.700 0.289 0.000 2.542 26 S HA 0.651 4.682 4.470 -0.732 0.000 0.293 26 S C -1.543 173.106 174.600 0.082 0.000 1.089 26 S CA -0.865 57.432 58.200 0.160 0.000 0.961 26 S CB 1.784 65.105 63.200 0.203 0.000 1.062 26 S HN 0.576 nan 8.310 nan 0.000 0.483 27 L N 2.593 123.809 121.223 -0.011 0.000 2.290 27 L HA 0.487 4.387 4.340 -0.732 0.000 0.284 27 L C 0.824 177.649 176.870 -0.074 0.000 1.078 27 L CA 0.279 55.076 54.840 -0.072 0.000 0.815 27 L CB 0.775 42.757 42.059 -0.128 0.000 1.162 27 L HN 0.813 nan 8.230 nan 0.000 0.435 28 Q N 3.963 123.734 119.800 -0.048 0.000 2.394 28 Q HA 0.480 4.380 4.340 -0.732 0.000 0.218 28 Q C 0.636 176.628 176.000 -0.013 0.000 0.907 28 Q CA 0.704 56.492 55.803 -0.025 0.000 0.919 28 Q CB 1.033 29.771 28.738 -0.000 0.000 1.051 28 Q HN 0.905 nan 8.270 nan 0.000 0.538 29 G N -0.534 108.253 108.800 -0.022 0.000 2.333 29 G HA2 0.294 3.815 3.960 -0.732 0.000 0.288 29 G HA3 0.294 3.815 3.960 -0.732 0.000 0.288 29 G C -1.800 173.093 174.900 -0.013 0.000 1.286 29 G CA -0.576 44.538 45.100 0.024 0.000 0.865 29 G HN -0.097 nan 8.290 nan 0.000 0.506 30 V N 0.675 120.586 119.914 -0.004 0.000 2.540 30 V HA 0.771 4.451 4.120 -0.732 0.000 0.302 30 V C 0.439 176.421 176.094 -0.186 0.000 1.035 30 V CA -0.179 62.060 62.300 -0.102 0.000 0.873 30 V CB 0.997 32.753 31.823 -0.112 0.000 0.992 30 V HN 1.554 nan 8.190 nan 0.000 0.428 31 V N 1.137 120.971 119.914 -0.133 0.000 3.158 31 V HA 0.905 4.585 4.120 -0.732 0.000 0.311 31 V C 0.026 176.072 176.094 -0.080 0.000 1.181 31 V CA -0.025 62.212 62.300 -0.104 0.000 1.054 31 V CB 1.558 33.354 31.823 -0.045 0.000 1.085 31 V HN 1.044 nan 8.190 nan 0.000 0.446 32 D N 1.374 121.743 120.400 -0.052 0.000 3.417 32 D HA -0.147 4.053 4.640 -0.732 0.000 0.163 32 D C 0.667 176.951 176.300 -0.027 0.000 1.070 32 D CA 1.676 55.662 54.000 -0.024 0.000 1.047 32 D CB -1.637 39.159 40.800 -0.008 0.000 0.514 32 D HN 2.000 nan 8.370 nan 0.000 0.532 33 G N -1.308 107.492 108.800 -0.001 0.000 3.444 33 G HA2 0.444 3.964 3.960 -0.732 0.000 0.315 33 G HA3 0.444 3.964 3.960 -0.732 0.000 0.315 33 G C -0.461 174.464 174.900 0.043 0.000 1.079 33 G CA 0.444 45.550 45.100 0.010 0.000 1.500 33 G HN 0.782 nan 8.290 nan 0.000 0.518 34 D N -0.205 120.223 120.400 0.046 0.000 2.798 34 D HA -0.124 4.076 4.640 -0.732 0.000 0.237 34 D C 0.368 176.910 176.300 0.403 0.000 1.092 34 D CA 0.957 55.078 54.000 0.201 0.000 0.727 34 D CB -0.791 40.083 40.800 0.124 0.000 1.087 34 D HN 0.510 nan 8.370 nan 0.000 0.437 35 K N 0.038 120.554 120.400 0.194 0.000 2.203 35 K HA 0.584 4.465 4.320 -0.732 0.000 0.251 35 K C 0.432 176.978 176.600 -0.090 0.000 0.944 35 K CA -0.865 55.487 56.287 0.109 0.000 0.829 35 K CB 1.562 34.085 32.500 0.038 0.000 1.125 35 K HN 0.018 nan 8.250 nan 0.000 0.430 36 L N 3.027 124.065 121.223 -0.310 0.000 2.380 36 L HA 0.227 4.128 4.340 -0.732 0.000 0.273 36 L C -0.278 176.514 176.870 -0.129 0.000 1.138 36 L CA -0.750 53.894 54.840 -0.328 0.000 0.832 36 L CB 0.307 42.066 42.059 -0.500 0.000 1.124 36 L HN 0.336 nan 8.230 nan 0.000 0.454 37 L N 5.587 126.753 121.223 -0.094 0.000 2.264 37 L HA 0.557 4.458 4.340 -0.732 0.000 0.289 37 L C -0.312 176.541 176.870 -0.029 0.000 1.044 37 L CA -0.191 54.627 54.840 -0.037 0.000 0.807 37 L CB 1.371 43.414 42.059 -0.027 0.000 1.192 37 L HN 0.372 nan 8.230 nan 0.000 0.425 38 V N 3.495 123.425 119.914 0.026 0.000 2.876 38 V HA 0.786 4.467 4.120 -0.732 0.000 0.312 38 V C -0.866 175.316 176.094 0.147 0.000 1.085 38 V CA -0.739 61.598 62.300 0.062 0.000 0.945 38 V CB 1.893 33.724 31.823 0.012 0.000 1.017 38 V HN 0.429 nan 8.190 nan 0.000 0.428 39 V N 2.652 122.643 119.914 0.128 0.000 2.513 39 V HA 0.875 4.556 4.120 -0.732 0.000 0.299 39 V C 0.792 176.921 176.094 0.059 0.000 1.035 39 V CA 0.342 62.643 62.300 0.002 0.000 0.889 39 V CB 1.621 33.354 31.823 -0.149 0.000 0.988 39 V HN 1.328 nan 8.190 nan 0.000 0.440 40 G N 3.001 111.800 108.800 -0.001 0.000 2.461 40 G HA2 0.718 4.239 3.960 -0.732 0.000 0.323 40 G HA3 0.718 4.239 3.960 -0.732 0.000 0.323 40 G C -1.404 173.266 174.900 -0.384 0.000 1.229 40 G CA -0.372 44.639 45.100 -0.149 0.000 0.941 40 G HN 0.430 nan 8.290 nan 0.000 0.477 41 F N 1.158 120.987 119.950 -0.200 0.000 2.460 41 F HA 0.587 4.675 4.527 -0.733 0.000 0.341 41 F C 0.490 176.195 175.800 -0.158 0.000 1.130 41 F CA -0.770 57.151 58.000 -0.131 0.000 0.962 41 F CB 2.725 41.659 39.000 -0.109 0.000 1.171 41 F HN 0.405 nan 8.300 nan 0.000 0.436 42 S N 3.060 118.780 115.700 0.035 0.000 2.779 42 S HA 0.293 4.324 4.470 -0.732 0.000 0.293 42 S C -0.415 174.196 174.600 0.019 0.000 1.150 42 S CA -0.431 57.769 58.200 0.001 0.000 1.057 42 S CB 0.466 63.648 63.200 -0.030 0.000 1.021 42 S HN 0.765 nan 8.310 nan 0.000 0.485 43 E N 2.853 123.068 120.200 0.024 0.000 2.252 43 E HA -0.221 3.689 4.350 -0.732 0.000 0.218 43 E C 0.676 177.292 176.600 0.026 0.000 1.253 43 E CA 0.791 57.202 56.400 0.018 0.000 0.705 43 E CB -1.503 28.200 29.700 0.005 0.000 1.172 43 E HN 1.508 nan 8.360 nan 0.000 0.369 44 G N -0.099 108.733 108.800 0.053 0.000 2.198 44 G HA2 -0.331 3.190 3.960 -0.732 0.000 0.260 44 G HA3 -0.331 3.190 3.960 -0.732 0.000 0.260 44 G C -0.069 174.858 174.900 0.046 0.000 1.025 44 G CA 0.619 45.755 45.100 0.060 0.000 0.769 44 G HN 0.495 nan 8.290 nan 0.000 0.507 45 S N -1.065 114.657 115.700 0.036 0.000 2.672 45 S HA 0.655 4.686 4.470 -0.732 0.000 0.291 45 S C -0.194 174.364 174.600 -0.069 0.000 1.145 45 S CA -0.376 57.815 58.200 -0.015 0.000 1.013 45 S CB 1.778 64.964 63.200 -0.022 0.000 1.017 45 S HN 0.845 nan 8.310 nan 0.000 0.487 46 V N 6.155 125.984 119.914 -0.142 0.000 2.459 46 V HA 0.608 4.288 4.120 -0.732 0.000 0.295 46 V C -0.188 175.726 176.094 -0.301 0.000 1.029 46 V CA -0.858 61.240 62.300 -0.337 0.000 0.874 46 V CB 1.687 33.274 31.823 -0.393 0.000 0.985 46 V HN 0.818 nan 8.190 nan 0.000 0.438 47 N N 2.047 120.537 118.700 -0.351 0.000 2.312 47 N HA 0.795 5.096 4.740 -0.732 0.000 0.296 47 N C -0.720 174.467 175.510 -0.538 0.000 1.193 47 N CA -0.425 52.364 53.050 -0.436 0.000 0.773 47 N CB 2.655 40.849 38.487 -0.488 0.000 1.435 47 N HN 0.760 nan 8.380 nan 0.000 0.484 48 A N 1.061 123.530 122.820 -0.585 0.000 2.337 48 A HA 0.763 4.643 4.320 -0.732 0.000 0.329 48 A C -1.619 175.644 177.584 -0.535 0.000 1.146 48 A CA -0.394 51.401 52.037 -0.404 0.000 0.800 48 A CB 0.585 19.448 19.000 -0.228 0.000 1.220 48 A HN 0.624 nan 8.150 nan 0.000 0.472 49 Y N 0.508 120.786 120.300 -0.038 0.000 2.512 49 Y HA 0.520 4.630 4.550 -0.733 0.000 0.348 49 Y C -0.181 175.707 175.900 -0.021 0.000 0.990 49 Y CA -0.752 57.338 58.100 -0.017 0.000 1.033 49 Y CB 1.911 40.381 38.460 0.016 0.000 1.259 49 Y HN 0.534 nan 8.280 nan 0.000 0.461 50 L N 2.985 124.295 121.223 0.145 0.000 2.305 50 L HA 0.308 4.208 4.340 -0.732 0.000 0.281 50 L C -1.105 175.820 176.870 0.093 0.000 1.085 50 L CA -0.610 54.274 54.840 0.074 0.000 0.813 50 L CB 0.723 42.801 42.059 0.033 0.000 1.157 50 L HN 0.624 nan 8.230 nan 0.000 0.436 51 Y N 1.555 121.790 120.300 -0.108 0.000 2.341 51 Y HA 0.457 4.568 4.550 -0.732 0.000 0.338 51 Y C -0.045 175.769 175.900 -0.144 0.000 0.965 51 Y CA -0.550 57.450 58.100 -0.166 0.000 1.108 51 Y CB 1.771 40.059 38.460 -0.286 0.000 1.180 51 Y HN 0.649 nan 8.280 nan 0.000 0.458 52 D N 3.570 123.539 120.400 -0.718 0.000 2.997 52 D HA 0.448 4.649 4.640 -0.732 0.000 0.362 52 D C 0.374 176.450 176.300 -0.373 0.000 1.298 52 D CA -0.127 53.681 54.000 -0.320 0.000 0.756 52 D CB 0.001 40.743 40.800 -0.096 0.000 1.216 52 D HN 1.496 nan 8.370 nan 0.000 0.496 53 G N -0.591 107.737 108.800 -0.786 0.000 2.884 53 G HA2 0.379 3.900 3.960 -0.732 0.000 0.261 53 G HA3 0.379 3.900 3.960 -0.732 0.000 0.261 53 G C 1.311 176.069 174.900 -0.237 0.000 1.025 53 G CA 0.952 45.906 45.100 -0.244 0.000 1.228 53 G HN 1.960 nan 8.290 nan 0.000 0.558 54 G N -0.328 108.380 108.800 -0.153 0.000 3.757 54 G HA2 0.347 3.867 3.960 -0.732 0.000 0.215 54 G HA3 0.347 3.867 3.960 -0.732 0.000 0.215 54 G C 0.748 175.638 174.900 -0.015 0.000 1.411 54 G CA 1.512 46.610 45.100 -0.003 0.000 0.896 54 G HN 2.419 nan 8.290 nan 0.000 0.581 55 E N 1.025 121.144 120.200 -0.134 0.000 2.242 55 E HA 0.714 4.625 4.350 -0.732 0.000 0.275 55 E C 0.331 176.887 176.600 -0.073 0.000 1.002 55 E CA 0.419 56.775 56.400 -0.074 0.000 0.841 55 E CB 0.980 30.641 29.700 -0.065 0.000 1.109 55 E HN 1.667 nan 8.360 nan 0.000 0.394 56 T N -1.928 112.626 114.554 -0.000 0.000 2.856 56 T HA 0.654 4.564 4.350 -0.732 0.000 0.283 56 T C -0.509 174.241 174.700 0.085 0.000 1.008 56 T CA -0.675 61.448 62.100 0.038 0.000 0.997 56 T CB 1.293 70.113 68.868 -0.081 0.000 0.992 56 T HN 0.482 nan 8.240 nan 0.000 0.454 57 V N 2.779 122.777 119.914 0.140 0.000 2.444 57 V HA 0.469 4.150 4.120 -0.732 0.000 0.294 57 V C 0.182 176.390 176.094 0.190 0.000 1.022 57 V CA -1.062 61.317 62.300 0.133 0.000 0.850 57 V CB 1.738 33.594 31.823 0.055 0.000 0.992 57 V HN 1.006 nan 8.190 nan 0.000 0.426 58 K N 3.370 123.864 120.400 0.157 0.000 2.322 58 K HA 0.383 4.264 4.320 -0.732 0.000 0.283 58 K C 0.482 177.022 176.600 -0.099 0.000 1.042 58 K CA -0.262 55.989 56.287 -0.060 0.000 0.958 58 K CB 0.863 33.309 32.500 -0.089 0.000 0.984 58 K HN 0.629 nan 8.250 nan 0.000 0.473 59 L N 2.937 124.060 121.223 -0.165 0.000 2.253 59 L HA -0.024 3.877 4.340 -0.732 0.000 0.205 59 L C 1.048 177.838 176.870 -0.133 0.000 1.078 59 L CA 0.090 54.860 54.840 -0.117 0.000 0.805 59 L CB -0.242 41.754 42.059 -0.106 0.000 0.963 59 L HN 0.723 nan 8.230 nan 0.000 0.459 60 N N -0.452 118.133 118.700 -0.192 0.000 2.458 60 N HA 0.163 4.464 4.740 -0.732 0.000 0.271 60 N C 0.311 175.712 175.510 -0.180 0.000 1.210 60 N CA -0.506 52.427 53.050 -0.194 0.000 0.978 60 N CB 1.705 40.052 38.487 -0.232 0.000 1.206 60 N HN -0.002 nan 8.380 nan 0.000 0.536 61 R N -0.348 120.042 120.500 -0.184 0.000 1.950 61 R HA 0.137 4.037 4.340 -0.732 0.000 0.200 61 R C 0.049 176.254 176.300 -0.157 0.000 1.476 61 R CA 0.135 56.143 56.100 -0.153 0.000 1.145 61 R CB -0.262 29.950 30.300 -0.147 0.000 0.942 61 R HN 0.645 nan 8.270 nan 0.000 0.484 62 E N 1.594 121.686 120.200 -0.179 0.000 2.374 62 E HA 0.190 4.100 4.350 -0.732 0.000 0.260 62 E C -2.225 174.272 176.600 -0.171 0.000 1.101 62 E CA -1.969 54.337 56.400 -0.157 0.000 0.907 62 E CB 0.074 29.681 29.700 -0.155 0.000 1.014 62 E HN 0.078 nan 8.360 nan 0.000 0.427 63 P HA 0.011 nan 4.420 nan 0.000 0.269 63 P C -0.209 177.006 177.300 -0.141 0.000 1.211 63 P CA 0.454 63.471 63.100 -0.138 0.000 0.781 63 P CB 0.339 31.982 31.700 -0.096 0.000 0.877 64 I N -1.674 118.809 120.570 -0.146 0.000 3.264 64 I HA 0.484 4.214 4.170 -0.732 0.000 0.309 64 I C 0.887 176.959 176.117 -0.076 0.000 1.099 64 I CA -0.888 60.341 61.300 -0.118 0.000 0.989 64 I CB 1.854 39.767 38.000 -0.147 0.000 1.250 64 I HN 0.153 nan 8.210 nan 0.000 0.478 65 N N 0.568 119.246 118.700 -0.035 0.000 2.278 65 N HA 0.017 4.317 4.740 -0.732 0.000 0.181 65 N C 0.125 175.613 175.510 -0.037 0.000 1.023 65 N CA 1.355 54.401 53.050 -0.008 0.000 0.862 65 N CB 0.464 38.958 38.487 0.011 0.000 1.003 65 N HN 0.891 nan 8.380 nan 0.000 0.431 66 S N -1.122 114.536 115.700 -0.070 0.000 2.656 66 S HA 0.444 4.475 4.470 -0.732 0.000 0.265 66 S C -0.926 173.633 174.600 -0.067 0.000 1.132 66 S CA -0.697 57.468 58.200 -0.058 0.000 0.819 66 S CB 1.392 64.580 63.200 -0.020 0.000 1.119 66 S HN 0.153 nan 8.310 nan 0.000 0.476 67 V N -0.885 119.002 119.914 -0.045 0.000 2.823 67 V HA 0.744 4.424 4.120 -0.732 0.000 0.312 67 V C -0.406 175.681 176.094 -0.010 0.000 1.072 67 V CA -1.177 61.101 62.300 -0.036 0.000 0.937 67 V CB 1.129 32.928 31.823 -0.041 0.000 1.013 67 V HN 0.978 nan 8.190 nan 0.000 0.430 68 L N 1.706 122.923 121.223 -0.010 0.000 2.464 68 L HA 0.388 4.288 4.340 -0.732 0.000 0.264 68 L C 0.001 176.889 176.870 0.030 0.000 1.199 68 L CA -0.351 54.499 54.840 0.016 0.000 0.818 68 L CB 0.313 42.378 42.059 0.010 0.000 1.102 68 L HN 0.664 nan 8.230 nan 0.000 0.473 69 D N 2.846 123.278 120.400 0.053 0.000 2.358 69 D HA 0.168 4.368 4.640 -0.732 0.000 0.258 69 D C -2.177 174.151 176.300 0.046 0.000 1.223 69 D CA -0.945 53.096 54.000 0.067 0.000 0.886 69 D CB 0.588 41.450 40.800 0.105 0.000 1.120 69 D HN 0.224 nan 8.370 nan 0.000 0.482 70 P HA 0.188 nan 4.420 nan 0.000 0.288 70 P C -0.391 176.994 177.300 0.141 0.000 1.267 70 P CA -0.405 62.730 63.100 0.058 0.000 0.815 70 P CB 0.936 32.665 31.700 0.048 0.000 0.989 71 H N 0.882 120.015 119.070 0.107 0.000 2.771 71 H HA -0.024 4.093 4.556 -0.732 0.000 0.364 71 H C -0.001 175.419 175.328 0.154 0.000 1.133 71 H CA -0.347 55.788 56.048 0.145 0.000 1.423 71 H CB 0.206 30.047 29.762 0.132 0.000 1.425 71 H HN 0.419 nan 8.280 nan 0.000 0.606 72 Y N 1.571 122.010 120.300 0.232 0.000 2.865 72 Y HA -0.073 4.038 4.550 -0.732 0.000 0.338 72 Y C 1.284 177.256 175.900 0.121 0.000 1.269 72 Y CA 1.345 59.532 58.100 0.144 0.000 1.585 72 Y CB -0.240 38.283 38.460 0.104 0.000 1.224 72 Y HN 0.951 nan 8.280 nan 0.000 0.554 73 G N 3.437 112.002 108.800 -0.392 0.000 2.179 73 G HA2 -0.285 3.235 3.960 -0.732 0.000 0.260 73 G HA3 -0.285 3.235 3.960 -0.732 0.000 0.260 73 G C -0.006 174.865 174.900 -0.048 0.000 0.977 73 G CA 0.056 45.007 45.100 -0.248 0.000 0.641 73 G HN 1.438 nan 8.290 nan 0.000 0.533 74 V N -1.010 118.910 119.914 0.011 0.000 2.872 74 V HA 0.644 4.324 4.120 -0.732 0.000 0.307 74 V C 1.403 177.504 176.094 0.011 0.000 1.072 74 V CA 0.685 63.008 62.300 0.039 0.000 1.148 74 V CB 1.450 33.314 31.823 0.068 0.000 0.954 74 V HN 1.179 nan 8.190 nan 0.000 0.490 75 G N 4.721 113.531 108.800 0.017 0.000 3.440 75 G HA2 0.417 3.937 3.960 -0.732 0.000 0.263 75 G HA3 0.417 3.937 3.960 -0.732 0.000 0.263 75 G C 0.434 175.338 174.900 0.008 0.000 1.236 75 G CA -0.126 44.980 45.100 0.008 0.000 0.927 75 G HN 1.132 nan 8.290 nan 0.000 0.530 76 R N -2.314 118.190 120.500 0.008 0.000 2.733 76 R HA 0.689 4.589 4.340 -0.732 0.000 0.272 76 R C -2.200 174.101 176.300 0.002 0.000 1.029 76 R CA -0.752 55.351 56.100 0.005 0.000 0.888 76 R CB 1.329 31.635 30.300 0.010 0.000 1.251 76 R HN -0.116 nan 8.270 nan 0.000 0.464 77 V N 1.884 121.796 119.914 -0.003 0.000 2.789 77 V HA 0.478 4.159 4.120 -0.732 0.000 0.311 77 V C -0.586 175.504 176.094 -0.006 0.000 1.073 77 V CA -0.990 61.305 62.300 -0.009 0.000 0.921 77 V CB 2.126 33.936 31.823 -0.022 0.000 1.009 77 V HN 0.573 nan 8.190 nan 0.000 0.426 78 I N 5.198 125.761 120.570 -0.011 0.000 2.328 78 I HA 0.403 4.133 4.170 -0.732 0.000 0.287 78 I C -0.091 176.017 176.117 -0.015 0.000 1.012 78 I CA -0.284 61.007 61.300 -0.015 0.000 1.195 78 I CB 1.117 39.093 38.000 -0.040 0.000 1.350 78 I HN 0.404 nan 8.210 nan 0.000 0.464 79 L N 6.336 127.571 121.223 0.019 0.000 2.371 79 L HA 0.476 4.376 4.340 -0.732 0.000 0.272 79 L C -0.021 176.882 176.870 0.055 0.000 1.124 79 L CA -0.733 54.119 54.840 0.020 0.000 0.816 79 L CB 1.187 43.256 42.059 0.017 0.000 1.129 79 L HN 0.205 nan 8.230 nan 0.000 0.448 80 V N 3.556 123.470 119.914 0.001 0.000 2.417 80 V HA 0.520 4.200 4.120 -0.732 0.000 0.291 80 V C -0.079 176.037 176.094 0.037 0.000 1.024 80 V CA -0.589 61.700 62.300 -0.018 0.000 0.861 80 V CB 1.557 33.290 31.823 -0.151 0.000 0.985 80 V HN 0.728 nan 8.190 nan 0.000 0.436 81 R N 2.517 123.114 120.500 0.161 0.000 2.574 81 R HA 0.388 4.288 4.340 -0.732 0.000 0.288 81 R C -1.285 175.169 176.300 0.256 0.000 1.004 81 R CA -0.765 55.438 56.100 0.172 0.000 0.895 81 R CB 1.560 31.931 30.300 0.117 0.000 1.191 81 R HN 0.710 nan 8.270 nan 0.000 0.444 82 D N 3.274 123.814 120.400 0.233 0.000 2.533 82 D HA -0.060 4.140 4.640 -0.732 0.000 0.236 82 D C 1.280 177.629 176.300 0.082 0.000 1.137 82 D CA 0.180 54.268 54.000 0.147 0.000 0.867 82 D CB 1.213 42.060 40.800 0.078 0.000 1.170 82 D HN 0.252 nan 8.370 nan 0.000 0.474 83 V N 1.467 121.399 119.914 0.030 0.000 2.759 83 V HA -0.117 3.564 4.120 -0.732 0.000 0.256 83 V C 0.850 176.955 176.094 0.017 0.000 1.080 83 V CA 1.439 63.760 62.300 0.034 0.000 1.101 83 V CB -0.171 31.652 31.823 0.000 0.000 0.698 83 V HN 0.435 nan 8.190 nan 0.000 0.477 84 S N -2.028 113.671 115.700 -0.002 0.000 2.651 84 S HA 0.605 4.636 4.470 -0.732 0.000 0.279 84 S C -0.092 174.505 174.600 -0.004 0.000 1.148 84 S CA -0.470 57.727 58.200 -0.003 0.000 0.837 84 S CB 1.525 64.719 63.200 -0.011 0.000 1.138 84 S HN 0.275 nan 8.310 nan 0.000 0.478 85 K N 0.194 120.591 120.400 -0.005 0.000 2.430 85 K HA 0.466 4.347 4.320 -0.732 0.000 0.280 85 K C 1.339 177.934 176.600 -0.007 0.000 1.063 85 K CA 0.389 56.673 56.287 -0.005 0.000 1.071 85 K CB -1.477 31.019 32.500 -0.007 0.000 0.899 85 K HN 1.833 nan 8.250 nan 0.000 0.473 86 G N 0.456 109.255 108.800 -0.002 0.000 2.212 86 G HA2 0.010 3.530 3.960 -0.732 0.000 0.266 86 G HA3 0.010 3.530 3.960 -0.732 0.000 0.266 86 G C 0.764 175.656 174.900 -0.012 0.000 0.978 86 G CA 0.747 45.845 45.100 -0.003 0.000 0.632 86 G HN 2.130 nan 8.290 nan 0.000 0.537 87 A N -0.165 122.639 122.820 -0.027 0.000 2.466 87 A HA 0.597 4.478 4.320 -0.732 0.000 0.238 87 A C 1.140 178.665 177.584 -0.099 0.000 1.074 87 A CA 1.753 53.757 52.037 -0.055 0.000 0.774 87 A CB 0.214 19.177 19.000 -0.061 0.000 1.015 87 A HN 1.714 nan 8.150 nan 0.000 0.498 88 E N 0.980 121.113 120.200 -0.113 0.000 2.419 88 E HA 0.222 4.133 4.350 -0.732 0.000 0.190 88 E C 0.392 176.793 176.600 -0.332 0.000 1.040 88 E CA 0.108 56.417 56.400 -0.150 0.000 0.900 88 E CB -0.176 29.501 29.700 -0.037 0.000 1.054 88 E HN 0.736 nan 8.360 nan 0.000 0.462 89 Q N -0.565 118.998 119.800 -0.396 0.000 2.345 89 Q HA 0.579 4.479 4.340 -0.732 0.000 0.268 89 Q C -1.168 174.522 176.000 -0.516 0.000 1.054 89 Q CA -0.814 54.752 55.803 -0.396 0.000 0.835 89 Q CB 1.782 30.433 28.738 -0.146 0.000 1.339 89 Q HN 0.662 nan 8.270 nan 0.000 0.447 90 H N -0.810 118.269 119.070 0.014 0.000 2.797 90 H HA 0.735 4.851 4.556 -0.733 0.000 0.372 90 H C -1.116 174.194 175.328 -0.031 0.000 1.168 90 H CA -0.812 55.241 56.048 0.008 0.000 1.163 90 H CB 1.843 31.608 29.762 0.005 0.000 1.778 90 H HN 0.695 nan 8.280 nan 0.000 0.551 91 A N 1.810 124.700 122.820 0.118 0.000 2.356 91 A HA 0.663 4.543 4.320 -0.732 0.000 0.323 91 A C -1.062 176.448 177.584 -0.125 0.000 1.119 91 A CA -0.759 51.230 52.037 -0.080 0.000 0.790 91 A CB 0.872 19.780 19.000 -0.154 0.000 1.273 91 A HN 0.572 nan 8.150 nan 0.000 0.452 92 L N 0.929 121.933 121.223 -0.365 0.000 2.309 92 L HA 0.612 4.512 4.340 -0.732 0.000 0.282 92 L C -1.425 175.153 176.870 -0.486 0.000 1.036 92 L CA -0.194 54.463 54.840 -0.305 0.000 0.806 92 L CB 1.195 43.039 42.059 -0.359 0.000 1.220 92 L HN 0.651 nan 8.230 nan 0.000 0.429 93 F N 1.879 121.770 119.950 -0.099 0.000 2.547 93 F HA 0.410 4.497 4.527 -0.732 0.000 0.316 93 F C 0.047 175.804 175.800 -0.072 0.000 1.121 93 F CA -0.787 57.168 58.000 -0.076 0.000 0.911 93 F CB 1.903 40.863 39.000 -0.066 0.000 1.179 93 F HN 0.301 nan 8.300 nan 0.000 0.443 94 K N 2.969 123.429 120.400 0.101 0.000 2.172 94 K HA 0.762 4.642 4.320 -0.732 0.000 0.276 94 K C -1.581 175.050 176.600 0.052 0.000 1.013 94 K CA -0.391 55.924 56.287 0.047 0.000 0.913 94 K CB 1.378 33.886 32.500 0.012 0.000 1.055 94 K HN 0.549 nan 8.250 nan 0.000 0.461 95 V N 3.936 123.864 119.914 0.023 0.000 2.531 95 V HA 0.156 3.837 4.120 -0.732 0.000 0.301 95 V C -0.285 175.810 176.094 0.001 0.000 1.034 95 V CA -1.199 61.104 62.300 0.006 0.000 0.865 95 V CB 1.523 33.336 31.823 -0.017 0.000 0.995 95 V HN 0.813 nan 8.190 nan 0.000 0.424 96 N N 2.714 121.415 118.700 0.002 0.000 2.452 96 N HA 0.041 4.341 4.740 -0.732 0.000 0.266 96 N C 1.460 176.968 175.510 -0.004 0.000 1.175 96 N CA 0.639 53.690 53.050 0.001 0.000 0.945 96 N CB 1.861 40.350 38.487 0.003 0.000 1.063 96 N HN 0.905 nan 8.380 nan 0.000 0.472 97 T N -0.133 114.419 114.554 -0.003 0.000 2.881 97 T HA -0.096 3.815 4.350 -0.732 0.000 0.270 97 T C 1.473 176.171 174.700 -0.004 0.000 1.068 97 T CA 1.129 63.226 62.100 -0.006 0.000 1.131 97 T CB -0.101 68.764 68.868 -0.006 0.000 0.871 97 T HN 0.346 nan 8.240 nan 0.000 0.479 98 S N 1.219 116.918 115.700 -0.001 0.000 2.522 98 S HA 0.171 4.202 4.470 -0.732 0.000 0.227 98 S C 0.915 175.514 174.600 -0.002 0.000 0.986 98 S CA 0.055 58.255 58.200 -0.001 0.000 0.929 98 S CB -0.067 63.133 63.200 0.002 0.000 0.769 98 S HN 0.545 nan 8.310 nan 0.000 0.529 99 R N 1.466 121.964 120.500 -0.004 0.000 2.644 99 R HA 0.250 4.151 4.340 -0.732 0.000 0.271 99 R C -3.178 173.115 176.300 -0.012 0.000 1.687 99 R CA -1.516 54.580 56.100 -0.006 0.000 1.655 99 R CB 1.044 31.342 30.300 -0.004 0.000 1.285 99 R HN 0.137 nan 8.270 nan 0.000 0.643 100 P HA 0.055 nan 4.420 nan 0.000 0.271 100 P C 0.899 178.180 177.300 -0.031 0.000 1.218 100 P CA 0.693 63.779 63.100 -0.024 0.000 0.780 100 P CB 1.013 32.703 31.700 -0.018 0.000 0.901 101 G N 1.329 110.101 108.800 -0.048 0.000 2.176 101 G HA2 -0.230 3.290 3.960 -0.732 0.000 0.253 101 G HA3 -0.230 3.290 3.960 -0.732 0.000 0.253 101 G C -0.178 174.693 174.900 -0.048 0.000 0.979 101 G CA -0.199 44.867 45.100 -0.056 0.000 0.641 101 G HN 0.600 nan 8.290 nan 0.000 0.530 102 E N 1.217 121.397 120.200 -0.032 0.000 2.073 102 E HA 0.441 4.351 4.350 -0.732 0.000 0.269 102 E C -0.321 176.274 176.600 -0.007 0.000 0.917 102 E CA -0.321 56.068 56.400 -0.018 0.000 0.757 102 E CB 0.950 30.645 29.700 -0.008 0.000 1.111 102 E HN 0.546 nan 8.360 nan 0.000 0.410 103 E N 1.531 121.730 120.200 -0.002 0.000 2.191 103 E HA 0.159 4.070 4.350 -0.732 0.000 0.278 103 E C -0.755 175.915 176.600 0.117 0.000 0.972 103 E CA -0.534 55.894 56.400 0.047 0.000 0.804 103 E CB 1.897 31.584 29.700 -0.022 0.000 1.110 103 E HN 0.123 nan 8.360 nan 0.000 0.394 104 Q N 4.001 123.888 119.800 0.144 0.000 2.357 104 Q HA 0.173 4.074 4.340 -0.732 0.000 0.266 104 Q C -0.785 175.272 176.000 0.095 0.000 1.021 104 Q CA -0.832 55.034 55.803 0.105 0.000 0.784 104 Q CB 1.306 30.069 28.738 0.041 0.000 1.243 104 Q HN 0.572 nan 8.270 nan 0.000 0.465 105 R N 3.379 123.910 120.500 0.050 0.000 2.489 105 R HA 0.186 4.087 4.340 -0.732 0.000 0.287 105 R C -0.158 175.988 176.300 -0.257 0.000 1.053 105 R CA 0.010 55.925 56.100 -0.308 0.000 1.036 105 R CB 0.224 30.346 30.300 -0.297 0.000 0.966 105 R HN 0.740 nan 8.270 nan 0.000 0.432 106 L N 5.823 126.841 121.223 -0.343 0.000 2.375 106 L HA 0.103 4.003 4.340 -0.732 0.000 0.276 106 L C 1.135 177.879 176.870 -0.210 0.000 1.162 106 L CA 0.064 54.772 54.840 -0.219 0.000 0.991 106 L CB 0.540 42.471 42.059 -0.213 0.000 1.315 106 L HN 0.727 nan 8.230 nan 0.000 0.431 107 E N 1.996 122.106 120.200 -0.151 0.000 2.268 107 E HA -0.175 3.735 4.350 -0.732 0.000 0.195 107 E C 2.103 178.647 176.600 -0.092 0.000 0.995 107 E CA 1.065 57.392 56.400 -0.121 0.000 0.836 107 E CB 0.209 29.861 29.700 -0.081 0.000 0.763 107 E HN 0.830 nan 8.360 nan 0.000 0.491 108 A N 0.839 123.615 122.820 -0.074 0.000 2.070 108 A HA -0.064 3.816 4.320 -0.732 0.000 0.220 108 A C 1.163 178.712 177.584 -0.058 0.000 1.159 108 A CA 0.597 52.606 52.037 -0.047 0.000 0.656 108 A CB 0.116 19.105 19.000 -0.019 0.000 0.800 108 A HN 0.038 nan 8.150 nan 0.000 0.453 109 V N 2.500 122.356 119.914 -0.097 0.000 2.334 109 V HA 0.172 3.852 4.120 -0.732 0.000 0.267 109 V C 0.429 176.447 176.094 -0.127 0.000 1.040 109 V CA -0.896 61.334 62.300 -0.117 0.000 0.866 109 V CB 0.522 32.236 31.823 -0.182 0.000 1.019 109 V HN 0.637 nan 8.190 nan 0.000 0.468 110 K N 5.484 125.827 120.400 -0.095 0.000 2.286 110 K HA 0.318 4.198 4.320 -0.732 0.000 0.256 110 K C -2.591 173.970 176.600 -0.065 0.000 0.999 110 K CA -1.327 54.917 56.287 -0.071 0.000 0.908 110 K CB -0.136 32.338 32.500 -0.043 0.000 0.981 110 K HN 0.287 nan 8.250 nan 0.000 0.500 111 P HA -0.013 nan 4.420 nan 0.000 0.267 111 P C -0.727 176.569 177.300 -0.006 0.000 1.205 111 P CA 0.349 63.430 63.100 -0.031 0.000 0.765 111 P CB 0.480 32.163 31.700 -0.028 0.000 0.828 112 M N 0.233 119.843 119.600 0.018 0.000 2.880 112 M HA 0.486 4.526 4.480 -0.732 0.000 0.269 112 M C -0.925 175.438 176.300 0.104 0.000 1.248 112 M CA -1.250 54.088 55.300 0.064 0.000 0.821 112 M CB 2.316 34.976 32.600 0.100 0.000 1.650 112 M HN -0.085 nan 8.290 nan 0.000 0.479 113 R N 1.854 122.439 120.500 0.143 0.000 2.248 113 R HA 0.419 4.320 4.340 -0.732 0.000 0.337 113 R C -1.065 175.428 176.300 0.322 0.000 1.085 113 R CA -0.458 55.780 56.100 0.231 0.000 0.934 113 R CB 0.320 30.714 30.300 0.157 0.000 1.034 113 R HN 0.635 nan 8.270 nan 0.000 0.465 114 I N 7.178 128.022 120.570 0.456 0.000 2.452 114 I HA -0.034 3.696 4.170 -0.732 0.000 0.287 114 I C 1.122 177.305 176.117 0.111 0.000 1.079 114 I CA 0.206 61.620 61.300 0.191 0.000 1.387 114 I CB 1.137 39.129 38.000 -0.012 0.000 1.404 114 I HN 0.831 nan 8.210 nan 0.000 0.522 115 L N 4.792 126.101 121.223 0.142 0.000 2.316 115 L HA 0.095 3.995 4.340 -0.732 0.000 0.207 115 L C 0.757 177.760 176.870 0.221 0.000 1.070 115 L CA 0.440 55.349 54.840 0.116 0.000 0.820 115 L CB 0.054 42.060 42.059 -0.089 0.000 0.992 115 L HN 0.812 nan 8.230 nan 0.000 0.466 116 S N -1.536 114.290 115.700 0.210 0.000 2.615 116 S HA 0.768 4.798 4.470 -0.732 0.000 0.268 116 S C -0.729 174.011 174.600 0.233 0.000 1.146 116 S CA -0.146 58.200 58.200 0.242 0.000 0.818 116 S CB 1.827 65.227 63.200 0.332 0.000 1.111 116 S HN 0.158 nan 8.310 nan 0.000 0.465 117 G N -0.436 108.482 108.800 0.197 0.000 2.411 117 G HA2 0.538 4.058 3.960 -0.732 0.000 0.295 117 G HA3 0.538 4.058 3.960 -0.732 0.000 0.295 117 G C -2.121 172.857 174.900 0.130 0.000 1.542 117 G CA -0.253 44.970 45.100 0.204 0.000 0.814 117 G HN 1.322 nan 8.290 nan 0.000 0.557 118 V N 0.803 120.782 119.914 0.109 0.000 2.656 118 V HA 0.602 4.282 4.120 -0.732 0.000 0.307 118 V C -1.188 174.901 176.094 -0.008 0.000 1.051 118 V CA -0.685 61.628 62.300 0.023 0.000 0.893 118 V CB 2.065 33.877 31.823 -0.019 0.000 0.999 118 V HN 0.807 nan 8.190 nan 0.000 0.426 119 D N 2.328 122.694 120.400 -0.057 0.000 2.392 119 D HA 0.282 4.483 4.640 -0.732 0.000 0.228 119 D C 1.154 177.375 176.300 -0.131 0.000 1.074 119 D CA 0.040 54.013 54.000 -0.045 0.000 0.838 119 D CB 2.057 42.854 40.800 -0.005 0.000 1.067 119 D HN 0.699 nan 8.370 nan 0.000 0.511 120 T N 0.831 115.327 114.554 -0.095 0.000 3.085 120 T HA 0.223 4.134 4.350 -0.732 0.000 0.263 120 T C 1.511 176.281 174.700 0.117 0.000 1.127 120 T CA 0.857 62.951 62.100 -0.009 0.000 1.103 120 T CB 0.003 68.923 68.868 0.087 0.000 0.921 120 T HN 0.621 nan 8.240 nan 0.000 0.510 121 G N 1.068 109.909 108.800 0.069 0.000 2.284 121 G HA2 -0.241 3.279 3.960 -0.732 0.000 0.230 121 G HA3 -0.241 3.279 3.960 -0.732 0.000 0.230 121 G C 0.925 175.863 174.900 0.063 0.000 1.021 121 G CA 0.345 45.489 45.100 0.073 0.000 0.619 121 G HN 0.524 nan 8.290 nan 0.000 0.510 122 E N 0.157 120.398 120.200 0.069 0.000 2.413 122 E HA 0.536 4.447 4.350 -0.732 0.000 0.203 122 E C 0.926 177.560 176.600 0.057 0.000 0.957 122 E CA 0.953 57.389 56.400 0.059 0.000 0.950 122 E CB 1.225 30.963 29.700 0.063 0.000 0.957 122 E HN 1.160 nan 8.360 nan 0.000 0.497 123 A N 0.843 123.700 122.820 0.062 0.000 2.520 123 A HA 0.516 4.396 4.320 -0.732 0.000 0.298 123 A C -0.833 176.799 177.584 0.080 0.000 1.051 123 A CA -0.584 51.496 52.037 0.071 0.000 0.690 123 A CB 1.660 20.703 19.000 0.072 0.000 1.281 123 A HN -0.064 nan 8.150 nan 0.000 0.402 124 V N 2.212 122.197 119.914 0.118 0.000 2.364 124 V HA 0.435 4.115 4.120 -0.732 0.000 0.272 124 V C -0.249 176.020 176.094 0.293 0.000 1.036 124 V CA -0.372 62.027 62.300 0.166 0.000 0.880 124 V CB 1.115 33.019 31.823 0.135 0.000 0.991 124 V HN 0.613 nan 8.190 nan 0.000 0.460 125 V N 7.206 127.268 119.914 0.246 0.000 2.409 125 V HA 0.669 4.350 4.120 -0.732 0.000 0.291 125 V C -0.425 175.846 176.094 0.295 0.000 1.020 125 V CA -0.449 61.972 62.300 0.201 0.000 0.848 125 V CB 0.959 32.844 31.823 0.103 0.000 0.990 125 V HN 0.811 nan 8.190 nan 0.000 0.430 126 F N 1.694 121.724 119.950 0.133 0.000 2.662 126 F HA 0.885 4.972 4.527 -0.732 0.000 0.312 126 F C -0.207 175.710 175.800 0.194 0.000 1.113 126 F CA -0.873 57.211 58.000 0.140 0.000 0.951 126 F CB 1.803 40.865 39.000 0.103 0.000 1.344 126 F HN 0.398 nan 8.300 nan 0.000 0.462 127 T N -0.811 113.918 114.554 0.291 0.000 2.855 127 T HA 0.868 4.779 4.350 -0.732 0.000 0.281 127 T C -0.372 174.524 174.700 0.326 0.000 1.007 127 T CA -0.430 61.774 62.100 0.174 0.000 1.009 127 T CB 1.373 70.268 68.868 0.045 0.000 0.983 127 T HN 1.362 nan 8.240 nan 0.000 0.455 128 G N 0.106 109.111 108.800 0.341 0.000 2.706 128 G HA2 0.698 4.218 3.960 -0.732 0.000 0.297 128 G HA3 0.698 4.218 3.960 -0.732 0.000 0.297 128 G C -1.299 173.780 174.900 0.299 0.000 1.403 128 G CA -0.866 44.461 45.100 0.378 0.000 0.954 128 G HN 1.071 nan 8.290 nan 0.000 0.500 129 A N 1.027 124.001 122.820 0.257 0.000 2.288 129 A HA 0.874 4.755 4.320 -0.732 0.000 0.320 129 A C 0.588 178.287 177.584 0.193 0.000 1.217 129 A CA 0.036 52.218 52.037 0.240 0.000 0.840 129 A CB 0.851 20.053 19.000 0.337 0.000 1.179 129 A HN 1.397 nan 8.150 nan 0.000 0.504 130 T N -1.123 113.526 114.554 0.159 0.000 2.844 130 T HA 0.703 4.614 4.350 -0.732 0.000 0.274 130 T C 1.290 176.043 174.700 0.088 0.000 0.991 130 T CA 0.346 62.516 62.100 0.117 0.000 0.983 130 T CB 0.615 69.553 68.868 0.118 0.000 1.310 130 T HN 0.774 nan 8.240 nan 0.000 0.596 131 E N -0.021 120.217 120.200 0.063 0.000 2.150 131 E HA -0.112 3.799 4.350 -0.732 0.000 0.193 131 E C 1.668 178.289 176.600 0.035 0.000 0.985 131 E CA 1.545 57.974 56.400 0.047 0.000 0.814 131 E CB -0.956 28.765 29.700 0.035 0.000 0.752 131 E HN 0.759 nan 8.360 nan 0.000 0.466 132 D N -0.403 120.017 120.400 0.033 0.000 2.216 132 D HA 0.034 4.234 4.640 -0.732 0.000 0.208 132 D C 0.918 177.216 176.300 -0.002 0.000 0.960 132 D CA 1.079 55.088 54.000 0.014 0.000 0.861 132 D CB 0.258 41.069 40.800 0.017 0.000 0.985 132 D HN 0.603 nan 8.370 nan 0.000 0.493 133 R N -2.153 118.353 120.500 0.011 0.000 2.741 133 R HA 0.497 4.397 4.340 -0.732 0.000 0.276 133 R C -1.687 174.614 176.300 0.002 0.000 1.028 133 R CA -0.895 55.191 56.100 -0.024 0.000 0.865 133 R CB 0.951 31.222 30.300 -0.047 0.000 1.268 133 R HN -0.242 nan 8.270 nan 0.000 0.475 134 V N 0.557 120.439 119.914 -0.052 0.000 2.398 134 V HA 0.829 4.510 4.120 -0.732 0.000 0.286 134 V C -0.211 175.800 176.094 -0.139 0.000 1.026 134 V CA -0.285 61.997 62.300 -0.030 0.000 0.868 134 V CB 1.012 32.816 31.823 -0.031 0.000 0.982 134 V HN 0.936 nan 8.190 nan 0.000 0.443 135 A N 4.407 127.123 122.820 -0.173 0.000 2.515 135 A HA 0.900 4.780 4.320 -0.732 0.000 0.296 135 A C -1.387 175.876 177.584 -0.535 0.000 1.094 135 A CA -0.673 51.093 52.037 -0.451 0.000 0.718 135 A CB 1.784 20.350 19.000 -0.723 0.000 1.307 135 A HN 0.860 nan 8.150 nan 0.000 0.408 136 L N 1.216 122.100 121.223 -0.565 0.000 2.282 136 L HA 0.752 4.653 4.340 -0.732 0.000 0.288 136 L C -1.512 174.992 176.870 -0.610 0.000 1.033 136 L CA -0.041 54.549 54.840 -0.417 0.000 0.807 136 L CB 0.315 42.244 42.059 -0.217 0.000 1.209 136 L HN 0.621 nan 8.230 nan 0.000 0.423 137 Y N 3.406 123.416 120.300 -0.483 0.000 2.562 137 Y HA 0.833 4.943 4.550 -0.733 0.000 0.343 137 Y C -0.004 175.627 175.900 -0.449 0.000 1.025 137 Y CA -0.726 57.031 58.100 -0.572 0.000 1.082 137 Y CB 2.204 40.004 38.460 -1.101 0.000 1.264 137 Y HN 0.718 nan 8.280 nan 0.000 0.478 138 A N 2.162 124.960 122.820 -0.036 0.000 2.359 138 A HA 0.700 4.580 4.320 -0.732 0.000 0.303 138 A C -2.211 175.444 177.584 0.118 0.000 1.066 138 A CA -0.554 51.511 52.037 0.046 0.000 0.730 138 A CB 1.170 20.193 19.000 0.037 0.000 1.211 138 A HN 0.626 nan 8.150 nan 0.000 0.439 139 L N 3.231 124.567 121.223 0.189 0.000 2.319 139 L HA 0.756 4.657 4.340 -0.732 0.000 0.281 139 L C -0.682 176.251 176.870 0.104 0.000 1.005 139 L CA -0.079 54.859 54.840 0.163 0.000 0.828 139 L CB 1.223 43.416 42.059 0.225 0.000 1.227 139 L HN 0.907 nan 8.230 nan 0.000 0.415 140 D N 2.181 122.624 120.400 0.072 0.000 2.989 140 D HA 0.455 4.656 4.640 -0.732 0.000 0.284 140 D C 0.929 177.253 176.300 0.040 0.000 1.212 140 D CA -0.044 53.989 54.000 0.054 0.000 1.055 140 D CB 0.258 41.087 40.800 0.050 0.000 1.351 140 D HN 0.362 nan 8.370 nan 0.000 0.611 141 G N -1.172 107.647 108.800 0.033 0.000 2.408 141 G HA2 0.015 3.536 3.960 -0.732 0.000 0.217 141 G HA3 0.015 3.536 3.960 -0.732 0.000 0.217 141 G C 1.290 176.203 174.900 0.022 0.000 1.150 141 G CA 0.620 45.735 45.100 0.025 0.000 0.776 141 G HN 0.594 nan 8.290 nan 0.000 0.542 142 G N -0.472 108.343 108.800 0.025 0.000 2.848 142 G HA2 0.443 3.963 3.960 -0.732 0.000 0.208 142 G HA3 0.443 3.963 3.960 -0.732 0.000 0.208 142 G C 0.861 175.775 174.900 0.023 0.000 1.152 142 G CA 0.644 45.757 45.100 0.022 0.000 0.789 142 G HN 1.298 nan 8.290 nan 0.000 0.531 143 G N -0.929 107.888 108.800 0.029 0.000 2.396 143 G HA2 0.107 3.628 3.960 -0.732 0.000 0.254 143 G HA3 0.107 3.628 3.960 -0.732 0.000 0.254 143 G C -1.064 173.865 174.900 0.049 0.000 1.248 143 G CA -0.373 44.746 45.100 0.031 0.000 1.033 143 G HN 0.758 nan 8.290 nan 0.000 0.502 144 L N 0.885 122.140 121.223 0.053 0.000 2.292 144 L HA 0.829 4.729 4.340 -0.732 0.000 0.284 144 L C 0.635 177.557 176.870 0.086 0.000 1.065 144 L CA -0.313 54.576 54.840 0.081 0.000 0.806 144 L CB 0.935 43.034 42.059 0.067 0.000 1.175 144 L HN 0.642 nan 8.230 nan 0.000 0.431 145 R N 3.425 123.985 120.500 0.100 0.000 2.599 145 R HA 0.348 4.249 4.340 -0.732 0.000 0.295 145 R C -1.010 175.347 176.300 0.094 0.000 0.963 145 R CA -0.729 55.416 56.100 0.075 0.000 0.883 145 R CB 1.792 32.112 30.300 0.035 0.000 1.171 145 R HN 0.608 nan 8.270 nan 0.000 0.450 146 E N 3.943 124.163 120.200 0.032 0.000 2.089 146 E HA 0.074 3.984 4.350 -0.732 0.000 0.284 146 E C 0.516 177.015 176.600 -0.168 0.000 1.023 146 E CA -0.139 56.162 56.400 -0.164 0.000 0.819 146 E CB 0.716 30.303 29.700 -0.188 0.000 1.076 146 E HN 0.554 nan 8.360 nan 0.000 0.396 147 L N 3.195 124.296 121.223 -0.202 0.000 2.109 147 L HA 0.140 4.041 4.340 -0.732 0.000 0.207 147 L C 0.807 177.581 176.870 -0.159 0.000 1.086 147 L CA 0.723 55.481 54.840 -0.136 0.000 0.760 147 L CB -0.092 41.906 42.059 -0.101 0.000 0.910 147 L HN 0.514 nan 8.230 nan 0.000 0.437 148 A N -0.758 121.917 122.820 -0.242 0.000 2.594 148 A HA 0.470 4.351 4.320 -0.732 0.000 0.296 148 A C -0.938 176.454 177.584 -0.320 0.000 1.056 148 A CA -0.643 51.247 52.037 -0.245 0.000 0.693 148 A CB 1.123 19.990 19.000 -0.222 0.000 1.278 148 A HN 0.022 nan 8.150 nan 0.000 0.408 149 R N 1.196 121.525 120.500 -0.284 0.000 2.390 149 R HA 0.593 4.494 4.340 -0.732 0.000 0.291 149 R C -1.048 175.037 176.300 -0.358 0.000 1.070 149 R CA -0.274 55.651 56.100 -0.292 0.000 1.014 149 R CB 0.384 30.549 30.300 -0.225 0.000 1.007 149 R HN 0.671 nan 8.270 nan 0.000 0.466 150 L N 6.065 127.055 121.223 -0.388 0.000 2.325 150 L HA 0.400 4.300 4.340 -0.732 0.000 0.278 150 L C -1.328 175.213 176.870 -0.548 0.000 1.023 150 L CA -2.111 52.388 54.840 -0.568 0.000 0.811 150 L CB 1.913 43.694 42.059 -0.464 0.000 1.249 150 L HN 0.534 nan 8.230 nan 0.000 0.431 151 P HA 0.020 nan 4.420 nan 0.000 0.234 151 P C 0.436 177.583 177.300 -0.255 0.000 1.167 151 P CA 0.580 63.380 63.100 -0.501 0.000 0.763 151 P CB 0.542 31.919 31.700 -0.540 0.000 0.835 152 G N -1.275 107.442 108.800 -0.138 0.000 2.570 152 G HA2 0.372 3.892 3.960 -0.732 0.000 0.310 152 G HA3 0.372 3.892 3.960 -0.732 0.000 0.310 152 G C -1.544 173.410 174.900 0.091 0.000 1.266 152 G CA -0.750 44.347 45.100 -0.005 0.000 0.825 152 G HN -0.206 nan 8.290 nan 0.000 0.483 153 F N 1.335 121.385 119.950 0.166 0.000 2.578 153 F HA 0.495 4.583 4.527 -0.732 0.000 0.381 153 F C 1.179 176.788 175.800 -0.319 0.000 1.069 153 F CA 0.481 58.424 58.000 -0.095 0.000 1.231 153 F CB 0.782 39.761 39.000 -0.035 0.000 1.086 153 F HN 0.582 nan 8.300 nan 0.000 0.564 154 G N 2.664 111.261 108.800 -0.339 0.000 2.619 154 G HA2 0.718 4.239 3.960 -0.732 0.000 0.296 154 G HA3 0.718 4.239 3.960 -0.732 0.000 0.296 154 G C -2.082 172.399 174.900 -0.698 0.000 1.334 154 G CA -0.708 44.179 45.100 -0.356 0.000 0.934 154 G HN 0.294 nan 8.290 nan 0.000 0.476 155 F N 0.291 120.357 119.950 0.193 0.000 2.557 155 F HA 0.416 4.503 4.527 -0.733 0.000 0.316 155 F C 0.187 176.073 175.800 0.144 0.000 1.141 155 F CA -0.957 57.116 58.000 0.122 0.000 0.922 155 F CB 2.442 41.438 39.000 -0.006 0.000 1.194 155 F HN 0.252 nan 8.300 nan 0.000 0.443 156 V N 2.743 122.823 119.914 0.278 0.000 2.521 156 V HA 0.102 3.783 4.120 -0.732 0.000 0.286 156 V C 0.444 176.597 176.094 0.098 0.000 1.034 156 V CA 0.449 62.838 62.300 0.147 0.000 1.045 156 V CB 1.027 32.946 31.823 0.159 0.000 0.974 156 V HN 1.000 nan 8.190 nan 0.000 0.480 157 S N 2.333 118.030 115.700 -0.005 0.000 2.502 157 S HA 0.151 4.182 4.470 -0.732 0.000 0.228 157 S C 0.267 174.888 174.600 0.034 0.000 1.061 157 S CA 0.200 58.406 58.200 0.011 0.000 0.935 157 S CB 0.176 63.334 63.200 -0.071 0.000 0.809 157 S HN 0.920 nan 8.310 nan 0.000 0.510 158 D N -0.991 119.416 120.400 0.012 0.000 2.683 158 D HA 0.450 4.650 4.640 -0.732 0.000 0.246 158 D C -1.938 174.399 176.300 0.061 0.000 1.238 158 D CA -0.417 53.622 54.000 0.065 0.000 0.759 158 D CB 1.103 41.934 40.800 0.052 0.000 1.349 158 D HN 0.003 nan 8.370 nan 0.000 0.426 159 I N 1.487 122.145 120.570 0.146 0.000 2.569 159 I HA 0.495 4.226 4.170 -0.732 0.000 0.290 159 I C -0.609 175.638 176.117 0.218 0.000 1.088 159 I CA -0.820 60.569 61.300 0.149 0.000 1.047 159 I CB 2.422 40.496 38.000 0.124 0.000 1.237 159 I HN 0.189 nan 8.210 nan 0.000 0.421 160 R N 4.024 124.587 120.500 0.105 0.000 2.502 160 R HA 0.589 4.489 4.340 -0.732 0.000 0.298 160 R C 0.378 176.700 176.300 0.037 0.000 1.018 160 R CA 0.328 56.457 56.100 0.049 0.000 0.899 160 R CB 1.658 31.943 30.300 -0.025 0.000 1.181 160 R HN 0.916 nan 8.270 nan 0.000 0.444 161 G N 3.472 112.300 108.800 0.047 0.000 2.622 161 G HA2 -0.389 3.131 3.960 -0.732 0.000 0.307 161 G HA3 -0.389 3.131 3.960 -0.732 0.000 0.307 161 G C 0.265 175.196 174.900 0.051 0.000 1.226 161 G CA 0.665 45.789 45.100 0.040 0.000 0.997 161 G HN 0.676 nan 8.290 nan 0.000 0.551 162 D N 0.142 120.563 120.400 0.035 0.000 2.340 162 D HA 0.250 4.451 4.640 -0.732 0.000 0.220 162 D C 0.932 177.256 176.300 0.040 0.000 1.039 162 D CA 0.104 54.127 54.000 0.038 0.000 0.866 162 D CB 0.068 40.885 40.800 0.029 0.000 0.913 162 D HN 0.294 nan 8.370 nan 0.000 0.523 163 L N 1.219 122.462 121.223 0.033 0.000 2.265 163 L HA 0.355 4.256 4.340 -0.732 0.000 0.288 163 L C -0.593 176.299 176.870 0.036 0.000 1.058 163 L CA -0.207 54.651 54.840 0.030 0.000 0.809 163 L CB 0.632 42.695 42.059 0.006 0.000 1.179 163 L HN -0.162 nan 8.230 nan 0.000 0.429 164 I N 5.265 125.862 120.570 0.045 0.000 2.377 164 I HA 0.642 4.372 4.170 -0.732 0.000 0.293 164 I C 0.000 176.103 176.117 -0.023 0.000 0.987 164 I CA -0.404 60.918 61.300 0.038 0.000 1.185 164 I CB 1.618 39.672 38.000 0.089 0.000 1.341 164 I HN 0.758 nan 8.210 nan 0.000 0.455 165 A N 4.417 127.169 122.820 -0.113 0.000 2.355 165 A HA 0.977 4.858 4.320 -0.732 0.000 0.324 165 A C -0.209 177.090 177.584 -0.475 0.000 1.117 165 A CA -0.437 51.434 52.037 -0.276 0.000 0.785 165 A CB 1.613 20.485 19.000 -0.213 0.000 1.254 165 A HN 0.846 nan 8.150 nan 0.000 0.453 166 G N -0.313 107.923 108.800 -0.939 0.000 2.645 166 G HA2 0.585 4.106 3.960 -0.732 0.000 0.292 166 G HA3 0.585 4.106 3.960 -0.732 0.000 0.292 166 G C -1.726 172.725 174.900 -0.747 0.000 1.415 166 G CA -0.669 43.823 45.100 -1.013 0.000 0.785 166 G HN 0.740 nan 8.290 nan 0.000 0.483 167 L N 0.008 121.121 121.223 -0.183 0.000 2.365 167 L HA 0.789 4.689 4.340 -0.732 0.000 0.273 167 L C 0.352 177.304 176.870 0.138 0.000 1.000 167 L CA -0.834 54.035 54.840 0.049 0.000 0.819 167 L CB 2.417 44.534 42.059 0.097 0.000 1.284 167 L HN 0.782 nan 8.230 nan 0.000 0.418 168 G N 1.206 109.884 108.800 -0.203 0.000 2.617 168 G HA2 0.586 4.106 3.960 -0.732 0.000 0.306 168 G HA3 0.586 4.106 3.960 -0.732 0.000 0.306 168 G C -1.025 173.622 174.900 -0.422 0.000 1.360 168 G CA -0.354 44.154 45.100 -0.987 0.000 0.983 168 G HN 0.257 nan 8.290 nan 0.000 0.496 169 F N 2.590 122.462 119.950 -0.130 0.000 2.626 169 F HA 0.330 4.417 4.527 -0.733 0.000 0.353 169 F C 0.588 176.534 175.800 0.242 0.000 1.230 169 F CA -1.648 56.419 58.000 0.112 0.000 1.298 169 F CB -0.652 38.522 39.000 0.291 0.000 1.670 169 F HN 0.436 nan 8.300 nan 0.000 0.633 170 F N 0.609 120.724 119.950 0.275 0.000 2.668 170 F HA 0.444 4.531 4.527 -0.732 0.000 0.297 170 F C 1.285 177.145 175.800 0.100 0.000 1.124 170 F CA -0.267 57.813 58.000 0.134 0.000 1.353 170 F CB 0.146 39.206 39.000 0.099 0.000 0.992 170 F HN 0.474 nan 8.300 nan 0.000 0.524 171 G N -0.215 108.750 108.800 0.274 0.000 2.619 171 G HA2 0.223 3.744 3.960 -0.732 0.000 0.686 171 G HA3 0.223 3.744 3.960 -0.732 0.000 0.686 171 G C 0.386 175.368 174.900 0.136 0.000 1.256 171 G CA -0.538 44.660 45.100 0.164 0.000 0.826 171 G HN 0.798 nan 8.290 nan 0.000 0.619 172 G N -1.246 107.607 108.800 0.088 0.000 2.175 172 G HA2 0.401 3.921 3.960 -0.732 0.000 0.244 172 G HA3 0.401 3.921 3.960 -0.732 0.000 0.244 172 G C 1.832 176.758 174.900 0.043 0.000 0.982 172 G CA 1.041 46.180 45.100 0.064 0.000 0.641 172 G HN 3.138 nan 8.290 nan 0.000 0.527 173 G N -1.235 107.590 108.800 0.042 0.000 2.179 173 G HA2 -0.222 3.299 3.960 -0.732 0.000 0.260 173 G HA3 -0.222 3.299 3.960 -0.732 0.000 0.260 173 G C 0.377 175.272 174.900 -0.009 0.000 0.977 173 G CA 1.405 46.508 45.100 0.006 0.000 0.641 173 G HN 1.179 nan 8.290 nan 0.000 0.533 174 R N -1.264 119.254 120.500 0.031 0.000 2.905 174 R HA 0.669 4.570 4.340 -0.732 0.000 0.260 174 R C -0.904 175.464 176.300 0.114 0.000 1.086 174 R CA -0.837 55.282 56.100 0.033 0.000 0.978 174 R CB 1.650 31.960 30.300 0.016 0.000 1.215 174 R HN 0.103 nan 8.270 nan 0.000 0.480 175 V N 1.707 121.711 119.914 0.150 0.000 2.364 175 V HA 0.213 3.893 4.120 -0.732 0.000 0.272 175 V C 0.046 176.326 176.094 0.311 0.000 1.036 175 V CA -0.317 62.146 62.300 0.272 0.000 0.880 175 V CB 1.277 33.297 31.823 0.328 0.000 0.991 175 V HN 0.681 nan 8.190 nan 0.000 0.460 176 S N 4.571 120.425 115.700 0.256 0.000 2.632 176 S HA 0.603 4.634 4.470 -0.732 0.000 0.271 176 S C -0.273 174.488 174.600 0.268 0.000 1.260 176 S CA -0.436 57.979 58.200 0.357 0.000 1.010 176 S CB 1.451 64.823 63.200 0.287 0.000 0.965 176 S HN 0.556 nan 8.310 nan 0.000 0.534 177 L N 2.712 124.039 121.223 0.173 0.000 2.357 177 L HA 0.701 4.601 4.340 -0.732 0.000 0.273 177 L C -0.822 176.224 176.870 0.292 0.000 1.080 177 L CA -0.172 54.601 54.840 -0.112 0.000 0.803 177 L CB 0.360 42.000 42.059 -0.698 0.000 1.174 177 L HN 0.626 nan 8.230 nan 0.000 0.443 178 F N 0.852 120.901 119.950 0.165 0.000 2.613 178 F HA 0.883 4.971 4.527 -0.733 0.000 0.314 178 F C -0.669 175.272 175.800 0.235 0.000 1.075 178 F CA -0.468 57.701 58.000 0.282 0.000 0.945 178 F CB 1.345 40.537 39.000 0.320 0.000 1.310 178 F HN 0.591 nan 8.300 nan 0.000 0.467 179 T N -0.634 114.227 114.554 0.511 0.000 2.916 179 T HA 0.774 4.684 4.350 -0.732 0.000 0.292 179 T C -0.887 174.039 174.700 0.376 0.000 1.055 179 T CA -0.655 61.642 62.100 0.328 0.000 1.009 179 T CB 1.604 70.642 68.868 0.284 0.000 1.118 179 T HN 0.992 nan 8.240 nan 0.000 0.497 180 S N 0.345 116.199 115.700 0.257 0.000 2.720 180 S HA 0.577 4.607 4.470 -0.732 0.000 0.287 180 S C -1.684 172.978 174.600 0.104 0.000 1.168 180 S CA -0.906 57.396 58.200 0.169 0.000 0.832 180 S CB 1.614 64.917 63.200 0.172 0.000 1.166 180 S HN 0.884 nan 8.310 nan 0.000 0.493 181 N N 1.723 120.463 118.700 0.066 0.000 2.354 181 N HA 0.273 4.574 4.740 -0.732 0.000 0.287 181 N C 0.379 175.912 175.510 0.038 0.000 1.016 181 N CA -0.417 52.662 53.050 0.048 0.000 0.871 181 N CB 1.612 40.120 38.487 0.035 0.000 1.299 181 N HN 0.504 nan 8.380 nan 0.000 0.482 182 L N 4.084 125.331 121.223 0.041 0.000 2.079 182 L HA -0.144 3.757 4.340 -0.732 0.000 0.210 182 L C 2.196 179.082 176.870 0.027 0.000 1.081 182 L CA 2.015 56.877 54.840 0.037 0.000 0.752 182 L CB -0.793 41.294 42.059 0.046 0.000 0.896 182 L HN 0.710 nan 8.230 nan 0.000 0.433 183 S N -2.035 113.679 115.700 0.024 0.000 2.371 183 S HA -0.057 3.973 4.470 -0.732 0.000 0.221 183 S C 1.731 176.337 174.600 0.010 0.000 1.036 183 S CA 0.766 58.977 58.200 0.018 0.000 0.965 183 S CB -0.685 62.526 63.200 0.018 0.000 0.845 183 S HN 0.555 nan 8.310 nan 0.000 0.475 184 S N 0.666 116.371 115.700 0.009 0.000 2.539 184 S HA 0.560 4.591 4.470 -0.732 0.000 0.221 184 S C 1.276 175.871 174.600 -0.008 0.000 0.987 184 S CA 0.146 58.346 58.200 0.000 0.000 0.929 184 S CB -0.484 62.717 63.200 0.002 0.000 0.832 184 S HN 1.199 nan 8.310 nan 0.000 0.492 185 G N 1.190 109.986 108.800 -0.006 0.000 2.575 185 G HA2 0.265 3.785 3.960 -0.732 0.000 0.267 185 G HA3 0.265 3.785 3.960 -0.732 0.000 0.267 185 G C 0.452 175.341 174.900 -0.019 0.000 1.264 185 G CA -0.236 44.852 45.100 -0.021 0.000 0.935 185 G HN 2.081 nan 8.290 nan 0.000 0.568 186 G N -2.711 106.061 108.800 -0.046 0.000 2.710 186 G HA2 0.439 3.959 3.960 -0.732 0.000 0.668 186 G HA3 0.439 3.959 3.960 -0.732 0.000 0.668 186 G C -0.871 174.002 174.900 -0.045 0.000 1.320 186 G CA 0.259 45.330 45.100 -0.049 0.000 0.860 186 G HN 2.263 nan 8.290 nan 0.000 0.538 187 L N -0.502 120.687 121.223 -0.057 0.000 2.482 187 L HA 0.914 4.814 4.340 -0.732 0.000 0.263 187 L C -0.555 176.287 176.870 -0.048 0.000 0.957 187 L CA -0.901 53.909 54.840 -0.050 0.000 0.836 187 L CB 2.068 44.026 42.059 -0.168 0.000 1.324 187 L HN 0.961 nan 8.230 nan 0.000 0.406 188 R N 3.533 124.034 120.500 0.002 0.000 2.502 188 R HA 0.750 4.651 4.340 -0.732 0.000 0.300 188 R C -1.998 174.179 176.300 -0.205 0.000 0.984 188 R CA -0.646 55.356 56.100 -0.162 0.000 0.882 188 R CB 1.613 31.831 30.300 -0.137 0.000 1.180 188 R HN 0.425 nan 8.270 nan 0.000 0.444 189 V N 5.473 125.211 119.914 -0.294 0.000 2.547 189 V HA 0.577 4.257 4.120 -0.732 0.000 0.299 189 V C -0.669 175.200 176.094 -0.376 0.000 1.040 189 V CA -0.549 61.709 62.300 -0.070 0.000 0.913 189 V CB 1.637 33.542 31.823 0.136 0.000 0.992 189 V HN 0.550 nan 8.190 nan 0.000 0.449 190 F N 1.952 122.011 119.950 0.181 0.000 2.434 190 F HA 0.379 4.466 4.527 -0.733 0.000 0.355 190 F C 0.187 176.152 175.800 0.275 0.000 1.115 190 F CA -0.769 57.329 58.000 0.164 0.000 1.010 190 F CB 1.200 40.242 39.000 0.070 0.000 1.234 190 F HN 0.489 nan 8.300 nan 0.000 0.439 191 D N 0.962 121.577 120.400 0.359 0.000 2.399 191 D HA 0.108 4.309 4.640 -0.732 0.000 0.241 191 D C 1.015 177.522 176.300 0.345 0.000 1.133 191 D CA 0.217 54.403 54.000 0.310 0.000 0.890 191 D CB 1.139 42.051 40.800 0.187 0.000 1.201 191 D HN 0.464 nan 8.370 nan 0.000 0.432 192 S N 1.951 117.781 115.700 0.216 0.000 2.575 192 S HA 0.325 4.356 4.470 -0.732 0.000 0.215 192 S C 1.440 175.978 174.600 -0.103 0.000 0.966 192 S CA 0.098 58.239 58.200 -0.099 0.000 0.911 192 S CB -0.357 62.647 63.200 -0.326 0.000 0.780 192 S HN 0.868 nan 8.310 nan 0.000 0.514 193 G N 2.170 110.972 108.800 0.004 0.000 2.591 193 G HA2 -0.418 3.103 3.960 -0.732 0.000 0.298 193 G HA3 -0.418 3.103 3.960 -0.732 0.000 0.298 193 G C 0.894 175.777 174.900 -0.028 0.000 1.195 193 G CA 1.024 46.123 45.100 -0.003 0.000 0.989 193 G HN 0.957 nan 8.290 nan 0.000 0.551 194 E N 0.416 120.591 120.200 -0.041 0.000 2.347 194 E HA 0.412 4.323 4.350 -0.732 0.000 0.196 194 E C 2.024 178.583 176.600 -0.068 0.000 1.008 194 E CA 1.952 58.325 56.400 -0.044 0.000 0.852 194 E CB -0.336 29.343 29.700 -0.035 0.000 0.783 194 E HN 1.812 nan 8.360 nan 0.000 0.505 195 G N -1.096 107.636 108.800 -0.113 0.000 2.736 195 G HA2 0.506 4.027 3.960 -0.732 0.000 0.229 195 G HA3 0.506 4.027 3.960 -0.732 0.000 0.229 195 G C -0.310 174.482 174.900 -0.180 0.000 1.380 195 G CA 0.354 45.364 45.100 -0.149 0.000 1.040 195 G HN 0.450 nan 8.290 nan 0.000 0.568 196 S N -1.347 114.226 115.700 -0.211 0.000 2.603 196 S HA 0.528 4.559 4.470 -0.732 0.000 0.274 196 S C -1.289 173.231 174.600 -0.132 0.000 1.168 196 S CA -0.681 57.436 58.200 -0.139 0.000 0.963 196 S CB 0.409 63.583 63.200 -0.044 0.000 1.078 196 S HN 0.324 nan 8.310 nan 0.000 0.477 197 F N 2.986 122.968 119.950 0.053 0.000 2.484 197 F HA 0.253 4.340 4.527 -0.733 0.000 0.360 197 F C 1.821 177.648 175.800 0.045 0.000 1.101 197 F CA 0.348 58.373 58.000 0.041 0.000 1.251 197 F CB 1.422 40.447 39.000 0.040 0.000 1.132 197 F HN 0.737 nan 8.300 nan 0.000 0.570 198 S N -0.217 115.619 115.700 0.227 0.000 2.549 198 S HA 0.296 4.327 4.470 -0.732 0.000 0.225 198 S C -0.072 174.587 174.600 0.099 0.000 1.039 198 S CA 0.331 58.612 58.200 0.136 0.000 0.942 198 S CB 0.074 63.335 63.200 0.101 0.000 0.881 198 S HN 0.601 nan 8.310 nan 0.000 0.503 199 S N -0.133 115.615 115.700 0.079 0.000 2.586 199 S HA 0.800 4.830 4.470 -0.732 0.000 0.277 199 S C -1.103 173.455 174.600 -0.071 0.000 1.131 199 S CA -0.469 57.726 58.200 -0.009 0.000 0.848 199 S CB 1.020 64.197 63.200 -0.039 0.000 1.091 199 S HN 1.357 nan 8.310 nan 0.000 0.453 200 A N 0.595 123.330 122.820 -0.141 0.000 2.574 200 A HA 0.941 4.821 4.320 -0.732 0.000 0.297 200 A C -0.672 176.806 177.584 -0.176 0.000 1.062 200 A CA -0.516 51.420 52.037 -0.169 0.000 0.686 200 A CB 1.668 20.547 19.000 -0.202 0.000 1.285 200 A HN 1.604 nan 8.150 nan 0.000 0.403 201 S N 0.587 116.206 115.700 -0.135 0.000 2.541 201 S HA 0.671 4.702 4.470 -0.732 0.000 0.271 201 S C -1.282 173.360 174.600 0.071 0.000 1.133 201 S CA -0.467 57.709 58.200 -0.040 0.000 0.876 201 S CB 0.747 63.889 63.200 -0.096 0.000 1.105 201 S HN 0.648 nan 8.310 nan 0.000 0.470 202 I N 3.888 124.488 120.570 0.049 0.000 2.325 202 I HA 0.280 4.010 4.170 -0.732 0.000 0.291 202 I C 0.871 176.825 176.117 -0.272 0.000 1.019 202 I CA -0.298 60.964 61.300 -0.063 0.000 1.302 202 I CB 1.597 39.555 38.000 -0.070 0.000 1.401 202 I HN 0.705 nan 8.210 nan 0.000 0.485 203 S N 6.517 121.956 115.700 -0.436 0.000 2.584 203 S HA 0.216 4.247 4.470 -0.732 0.000 0.270 203 S C -1.786 172.470 174.600 -0.573 0.000 1.346 203 S CA -0.923 56.723 58.200 -0.924 0.000 1.018 203 S CB 0.659 63.547 63.200 -0.521 0.000 0.899 203 S HN 0.409 nan 8.310 nan 0.000 0.542 204 P HA 0.055 nan 4.420 nan 0.000 0.218 204 P C 1.320 178.498 177.300 -0.204 0.000 1.148 204 P CA 1.408 64.330 63.100 -0.298 0.000 0.822 204 P CB -0.442 31.116 31.700 -0.237 0.000 0.784 205 G N -0.988 107.690 108.800 -0.204 0.000 3.061 205 G HA2 -0.013 3.507 3.960 -0.732 0.000 0.208 205 G HA3 -0.013 3.507 3.960 -0.732 0.000 0.208 205 G C 0.534 175.361 174.900 -0.122 0.000 1.175 205 G CA -0.071 44.948 45.100 -0.135 0.000 0.812 205 G HN 0.020 nan 8.290 nan 0.000 0.523 206 M N -0.634 118.878 119.600 -0.146 0.000 2.653 206 M HA -0.125 3.915 4.480 -0.732 0.000 0.203 206 M C -0.307 175.928 176.300 -0.108 0.000 0.502 206 M CA 0.947 56.180 55.300 -0.113 0.000 0.601 206 M CB -2.131 30.424 32.600 -0.074 0.000 2.228 206 M HN 0.212 nan 8.290 nan 0.000 0.711 207 K N 0.214 120.536 120.400 -0.130 0.000 2.123 207 K HA 0.740 4.620 4.320 -0.732 0.000 0.248 207 K C 0.216 176.735 176.600 -0.135 0.000 0.969 207 K CA -0.688 55.524 56.287 -0.125 0.000 0.882 207 K CB 1.999 34.437 32.500 -0.103 0.000 1.080 207 K HN 0.035 nan 8.250 nan 0.000 0.441 208 V N 2.325 122.140 119.914 -0.164 0.000 2.348 208 V HA 0.120 3.800 4.120 -0.732 0.000 0.270 208 V C 0.009 176.023 176.094 -0.133 0.000 1.037 208 V CA -0.554 61.642 62.300 -0.173 0.000 0.872 208 V CB 0.901 32.556 31.823 -0.280 0.000 1.002 208 V HN 0.665 nan 8.190 nan 0.000 0.464 209 T N 5.054 119.580 114.554 -0.048 0.000 2.794 209 T HA 0.644 4.555 4.350 -0.732 0.000 0.296 209 T C 0.210 174.854 174.700 -0.093 0.000 0.949 209 T CA -0.018 62.060 62.100 -0.036 0.000 1.101 209 T CB 1.146 70.036 68.868 0.036 0.000 0.905 209 T HN 0.934 nan 8.240 nan 0.000 0.516 210 A N 2.370 125.154 122.820 -0.059 0.000 2.515 210 A HA 0.821 4.701 4.320 -0.732 0.000 0.298 210 A C 0.124 177.755 177.584 0.078 0.000 1.059 210 A CA -0.859 51.169 52.037 -0.015 0.000 0.698 210 A CB 1.528 20.498 19.000 -0.050 0.000 1.289 210 A HN 0.937 nan 8.150 nan 0.000 0.404 211 G N 0.065 108.922 108.800 0.095 0.000 2.325 211 G HA2 0.541 4.062 3.960 -0.732 0.000 0.298 211 G HA3 0.541 4.062 3.960 -0.732 0.000 0.298 211 G C -0.967 174.040 174.900 0.178 0.000 1.134 211 G CA -0.161 45.005 45.100 0.111 0.000 0.876 211 G HN 1.009 nan 8.290 nan 0.000 0.452 212 L N 2.146 123.425 121.223 0.093 0.000 2.353 212 L HA 0.467 4.368 4.340 -0.732 0.000 0.270 212 L C 0.069 176.902 176.870 -0.061 0.000 1.003 212 L CA -0.679 54.122 54.840 -0.065 0.000 0.862 212 L CB 1.009 42.971 42.059 -0.161 0.000 1.221 212 L HN 0.579 nan 8.230 nan 0.000 0.430 213 E N 2.454 122.620 120.200 -0.058 0.000 2.343 213 E HA 0.564 4.474 4.350 -0.732 0.000 0.269 213 E C -0.124 176.433 176.600 -0.072 0.000 1.047 213 E CA -0.193 56.184 56.400 -0.039 0.000 0.874 213 E CB 1.166 30.858 29.700 -0.012 0.000 1.033 213 E HN 0.715 nan 8.360 nan 0.000 0.409 214 T N -2.164 112.358 114.554 -0.053 0.000 2.669 214 T HA 0.519 4.429 4.350 -0.732 0.000 0.283 214 T C 0.832 175.509 174.700 -0.039 0.000 1.019 214 T CA -0.247 61.820 62.100 -0.056 0.000 1.039 214 T CB 1.040 69.876 68.868 -0.053 0.000 1.374 214 T HN 0.325 nan 8.240 nan 0.000 0.523 215 A N -0.046 122.754 122.820 -0.033 0.000 2.070 215 A HA 0.149 4.029 4.320 -0.732 0.000 0.220 215 A C 1.975 179.555 177.584 -0.006 0.000 1.159 215 A CA 0.920 52.947 52.037 -0.017 0.000 0.656 215 A CB -0.589 18.402 19.000 -0.015 0.000 0.800 215 A HN 0.748 nan 8.150 nan 0.000 0.453 216 R N -1.778 118.711 120.500 -0.018 0.000 2.548 216 R HA 0.280 4.180 4.340 -0.732 0.000 0.107 216 R C -0.328 175.950 176.300 -0.037 0.000 1.296 216 R CA -0.301 55.787 56.100 -0.021 0.000 1.097 216 R CB 0.151 30.437 30.300 -0.024 0.000 0.937 216 R HN 0.170 nan 8.270 nan 0.000 0.400 217 E N 0.605 120.776 120.200 -0.048 0.000 2.366 217 E HA 0.427 4.338 4.350 -0.732 0.000 0.266 217 E C -0.581 175.991 176.600 -0.046 0.000 1.051 217 E CA -0.275 56.087 56.400 -0.063 0.000 0.884 217 E CB 1.513 31.163 29.700 -0.083 0.000 1.006 217 E HN 0.484 nan 8.360 nan 0.000 0.417 218 A N 2.871 125.670 122.820 -0.036 0.000 2.316 218 A HA 0.601 4.482 4.320 -0.732 0.000 0.284 218 A C 0.293 177.889 177.584 0.020 0.000 1.115 218 A CA -0.480 51.557 52.037 0.001 0.000 0.812 218 A CB 0.409 19.434 19.000 0.040 0.000 1.064 218 A HN 0.651 nan 8.150 nan 0.000 0.489 219 R N 0.783 121.308 120.500 0.042 0.000 2.892 219 R HA 0.691 4.592 4.340 -0.732 0.000 0.265 219 R C -1.635 174.742 176.300 0.128 0.000 1.025 219 R CA -0.984 55.170 56.100 0.090 0.000 0.982 219 R CB 1.047 31.379 30.300 0.053 0.000 1.185 219 R HN 0.453 nan 8.270 nan 0.000 0.484 220 L N 1.963 123.283 121.223 0.161 0.000 2.272 220 L HA 0.384 4.284 4.340 -0.732 0.000 0.289 220 L C -0.598 176.302 176.870 0.051 0.000 1.032 220 L CA -0.416 54.466 54.840 0.070 0.000 0.810 220 L CB 1.693 43.735 42.059 -0.028 0.000 1.205 220 L HN 0.590 nan 8.230 nan 0.000 0.422 221 V N 0.696 120.641 119.914 0.052 0.000 3.001 221 V HA 0.741 4.422 4.120 -0.732 0.000 0.314 221 V C -0.225 175.882 176.094 0.021 0.000 1.099 221 V CA -0.516 61.817 62.300 0.055 0.000 0.989 221 V CB 1.958 33.847 31.823 0.110 0.000 1.040 221 V HN 0.668 nan 8.190 nan 0.000 0.434 222 T N 2.532 117.089 114.554 0.005 0.000 2.756 222 T HA 0.610 4.521 4.350 -0.732 0.000 0.290 222 T C -0.376 174.293 174.700 -0.051 0.000 0.985 222 T CA -0.266 61.817 62.100 -0.029 0.000 0.955 222 T CB 1.148 70.002 68.868 -0.024 0.000 0.930 222 T HN 0.708 nan 8.240 nan 0.000 0.451 223 V N 3.804 123.644 119.914 -0.124 0.000 2.347 223 V HA 0.278 3.959 4.120 -0.732 0.000 0.280 223 V C 0.184 176.135 176.094 -0.239 0.000 1.021 223 V CA -0.950 61.223 62.300 -0.211 0.000 0.847 223 V CB 1.467 33.047 31.823 -0.405 0.000 0.990 223 V HN 0.791 nan 8.190 nan 0.000 0.444 224 D N 8.041 128.343 120.400 -0.162 0.000 2.336 224 D HA 0.207 4.408 4.640 -0.732 0.000 0.249 224 D C -1.312 174.906 176.300 -0.138 0.000 1.213 224 D CA -1.946 51.983 54.000 -0.118 0.000 0.870 224 D CB 2.076 42.850 40.800 -0.044 0.000 1.076 224 D HN 0.270 nan 8.370 nan 0.000 0.483 225 P HA -0.030 nan 4.420 nan 0.000 0.233 225 P C 0.879 178.267 177.300 0.146 0.000 1.167 225 P CA 0.410 63.489 63.100 -0.036 0.000 0.770 225 P CB 0.452 32.129 31.700 -0.040 0.000 0.837 226 R N 0.603 121.148 120.500 0.075 0.000 2.193 226 R HA -0.033 3.867 4.340 -0.732 0.000 0.213 226 R C 1.025 177.390 176.300 0.108 0.000 1.055 226 R CA 1.563 57.712 56.100 0.082 0.000 0.995 226 R CB -0.200 30.124 30.300 0.039 0.000 0.893 226 R HN 0.307 nan 8.270 nan 0.000 0.459 227 D N -2.905 117.573 120.400 0.131 0.000 2.480 227 D HA 0.058 4.258 4.640 -0.732 0.000 0.276 227 D C 0.875 177.291 176.300 0.194 0.000 1.294 227 D CA 0.470 54.550 54.000 0.133 0.000 0.829 227 D CB 0.113 40.959 40.800 0.077 0.000 1.242 227 D HN 0.098 nan 8.370 nan 0.000 0.513 228 G N 1.162 110.141 108.800 0.299 0.000 2.155 228 G HA2 -0.295 3.226 3.960 -0.732 0.000 0.257 228 G HA3 -0.295 3.226 3.960 -0.732 0.000 0.257 228 G C 0.416 175.425 174.900 0.182 0.000 0.983 228 G CA 0.632 45.965 45.100 0.388 0.000 0.676 228 G HN 1.039 nan 8.290 nan 0.000 0.528 229 S N -1.083 114.674 115.700 0.096 0.000 2.560 229 S HA 0.571 4.602 4.470 -0.732 0.000 0.284 229 S C 0.061 174.683 174.600 0.037 0.000 1.327 229 S CA 0.004 58.241 58.200 0.062 0.000 1.055 229 S CB 2.433 65.657 63.200 0.040 0.000 0.868 229 S HN 1.118 nan 8.310 nan 0.000 0.506 230 V N 3.755 123.701 119.914 0.053 0.000 2.531 230 V HA 0.634 4.315 4.120 -0.732 0.000 0.301 230 V C -0.220 175.899 176.094 0.042 0.000 1.034 230 V CA -0.616 61.717 62.300 0.054 0.000 0.865 230 V CB 1.318 33.206 31.823 0.108 0.000 0.995 230 V HN 1.097 nan 8.190 nan 0.000 0.424 231 E N 2.094 122.312 120.200 0.030 0.000 2.408 231 E HA 0.513 4.424 4.350 -0.732 0.000 0.275 231 E C -1.673 174.942 176.600 0.026 0.000 0.935 231 E CA -1.018 55.397 56.400 0.025 0.000 0.775 231 E CB 2.105 31.814 29.700 0.016 0.000 1.277 231 E HN 0.431 nan 8.360 nan 0.000 0.455 232 D N 1.429 121.844 120.400 0.026 0.000 2.455 232 D HA 0.127 4.327 4.640 -0.732 0.000 0.241 232 D C -0.569 175.744 176.300 0.022 0.000 1.138 232 D CA -0.062 53.956 54.000 0.029 0.000 0.877 232 D CB 0.841 41.658 40.800 0.029 0.000 1.187 232 D HN 0.304 nan 8.370 nan 0.000 0.451 233 L N 1.629 122.865 121.223 0.021 0.000 2.264 233 L HA 0.403 4.303 4.340 -0.732 0.000 0.289 233 L C 0.114 176.991 176.870 0.012 0.000 1.044 233 L CA -0.451 54.392 54.840 0.005 0.000 0.807 233 L CB 0.571 42.619 42.059 -0.018 0.000 1.192 233 L HN 0.407 nan 8.230 nan 0.000 0.425 234 E N 5.941 126.148 120.200 0.011 0.000 2.227 234 E HA 0.538 4.448 4.350 -0.732 0.000 0.282 234 E C -0.990 175.614 176.600 0.007 0.000 1.015 234 E CA -0.472 55.939 56.400 0.019 0.000 0.823 234 E CB 0.774 30.484 29.700 0.018 0.000 1.081 234 E HN 0.748 nan 8.360 nan 0.000 0.396 235 L N 3.165 124.394 121.223 0.011 0.000 2.344 235 L HA 0.403 4.303 4.340 -0.732 0.000 0.272 235 L C -1.409 175.471 176.870 0.018 0.000 1.035 235 L CA -2.088 52.751 54.840 -0.003 0.000 0.807 235 L CB 2.074 44.114 42.059 -0.031 0.000 1.237 235 L HN 0.432 nan 8.230 nan 0.000 0.442 236 P HA -0.131 nan 4.420 nan 0.000 0.216 236 P C 0.337 177.657 177.300 0.033 0.000 1.153 236 P CA 0.984 64.097 63.100 0.022 0.000 0.858 236 P CB 0.227 31.939 31.700 0.019 0.000 0.789 237 S N -0.695 115.033 115.700 0.046 0.000 2.525 237 S HA 0.274 4.305 4.470 -0.732 0.000 0.290 237 S C 0.682 175.331 174.600 0.082 0.000 1.152 237 S CA -0.671 57.569 58.200 0.066 0.000 1.072 237 S CB 0.400 63.651 63.200 0.084 0.000 1.027 237 S HN -0.197 nan 8.310 nan 0.000 0.500 238 K N 2.910 123.357 120.400 0.079 0.000 2.446 238 K HA 0.169 4.050 4.320 -0.732 0.000 0.203 238 K C 0.268 176.924 176.600 0.094 0.000 1.027 238 K CA -0.022 56.311 56.287 0.077 0.000 1.166 238 K CB -0.108 32.423 32.500 0.051 0.000 0.869 238 K HN 0.578 nan 8.250 nan 0.000 0.504 239 D N 0.612 121.102 120.400 0.149 0.000 2.117 239 D HA -0.171 4.030 4.640 -0.732 0.000 0.197 239 D C 1.545 177.948 176.300 0.172 0.000 0.987 239 D CA 0.895 55.029 54.000 0.223 0.000 0.829 239 D CB -0.167 40.839 40.800 0.344 0.000 0.961 239 D HN 0.184 nan 8.370 nan 0.000 0.460 240 F N 2.113 121.957 119.950 -0.177 0.000 2.102 240 F HA -0.240 3.848 4.527 -0.733 0.000 0.298 240 F C 2.492 178.115 175.800 -0.295 0.000 1.105 240 F CA 2.096 59.647 58.000 -0.749 0.000 1.239 240 F CB -0.438 38.076 39.000 -0.809 0.000 0.991 240 F HN -0.025 nan 8.300 nan 0.000 0.474 241 S N -0.411 115.161 115.700 -0.213 0.000 2.402 241 S HA -0.179 3.851 4.470 -0.732 0.000 0.229 241 S C 2.110 176.605 174.600 -0.175 0.000 1.021 241 S CA 1.072 59.132 58.200 -0.234 0.000 0.974 241 S CB -1.311 61.869 63.200 -0.032 0.000 0.800 241 S HN 0.540 nan 8.310 nan 0.000 0.484 242 S N -0.092 115.566 115.700 -0.069 0.000 2.522 242 S HA -0.002 4.029 4.470 -0.732 0.000 0.227 242 S C 1.567 176.172 174.600 0.008 0.000 0.986 242 S CA 0.250 58.437 58.200 -0.022 0.000 0.929 242 S CB -0.904 62.311 63.200 0.025 0.000 0.769 242 S HN 0.582 nan 8.310 nan 0.000 0.529 243 Y N 2.765 122.975 120.300 -0.151 0.000 2.293 243 Y HA 0.084 4.195 4.550 -0.733 0.000 0.291 243 Y C 0.840 176.654 175.900 -0.143 0.000 1.137 243 Y CA 1.166 59.210 58.100 -0.094 0.000 1.202 243 Y CB -0.357 38.072 38.460 -0.052 0.000 0.990 243 Y HN 0.233 nan 8.280 nan 0.000 0.537 244 R N -0.339 120.006 120.500 -0.258 0.000 3.209 244 R HA -0.153 3.747 4.340 -0.732 0.000 0.252 244 R C -2.741 173.361 176.300 -0.330 0.000 0.958 244 R CA 0.285 56.215 56.100 -0.283 0.000 0.651 244 R CB -2.071 28.097 30.300 -0.221 0.000 1.142 244 R HN 0.301 nan 8.270 nan 0.000 0.441 245 P HA -0.004 nan 4.420 nan 0.000 0.272 245 P C 0.761 178.002 177.300 -0.097 0.000 1.223 245 P CA 0.191 63.221 63.100 -0.117 0.000 0.784 245 P CB 0.899 32.646 31.700 0.079 0.000 0.923 246 T N -1.668 112.845 114.554 -0.069 0.000 3.014 246 T HA 0.493 4.403 4.350 -0.732 0.000 0.250 246 T C 0.639 175.331 174.700 -0.014 0.000 1.060 246 T CA 0.036 62.098 62.100 -0.062 0.000 1.040 246 T CB 0.138 68.939 68.868 -0.112 0.000 0.971 246 T HN 0.605 nan 8.240 nan 0.000 0.497 247 A N 0.711 123.554 122.820 0.039 0.000 2.556 247 A HA 0.788 4.669 4.320 -0.732 0.000 0.294 247 A C -1.491 176.179 177.584 0.144 0.000 1.091 247 A CA -0.992 51.087 52.037 0.070 0.000 0.704 247 A CB 1.246 20.275 19.000 0.049 0.000 1.300 247 A HN 0.381 nan 8.150 nan 0.000 0.406 248 I N 1.751 122.407 120.570 0.143 0.000 2.420 248 I HA 0.238 3.969 4.170 -0.732 0.000 0.282 248 I C 0.884 177.094 176.117 0.155 0.000 1.019 248 I CA -0.367 61.040 61.300 0.178 0.000 1.130 248 I CB 2.026 40.121 38.000 0.159 0.000 1.262 248 I HN 0.775 nan 8.210 nan 0.000 0.454 249 T N 4.220 118.892 114.554 0.196 0.000 2.812 249 T HA -0.084 3.826 4.350 -0.732 0.000 0.264 249 T C -0.267 174.603 174.700 0.283 0.000 1.042 249 T CA 1.318 63.543 62.100 0.208 0.000 1.140 249 T CB 0.060 69.061 68.868 0.222 0.000 0.870 249 T HN 0.646 nan 8.240 nan 0.000 0.445 250 W N 0.751 122.085 121.300 0.058 0.000 3.464 250 W HA 0.466 4.687 4.660 -0.732 0.000 0.292 250 W C -2.598 173.927 176.519 0.010 0.000 1.262 250 W CA -1.470 55.895 57.345 0.034 0.000 1.202 250 W CB 0.785 30.268 29.460 0.038 0.000 1.334 250 W HN 0.105 nan 8.180 nan 0.000 0.561 251 L N 3.025 123.550 121.223 -1.163 0.000 2.469 251 L HA 1.134 5.035 4.340 -0.732 0.000 0.256 251 L C -0.536 175.212 176.870 -1.870 0.000 1.006 251 L CA -0.632 53.412 54.840 -1.327 0.000 0.832 251 L CB 1.852 43.529 42.059 -0.637 0.000 1.421 251 L HN 0.875 nan 8.230 nan 0.000 0.410 252 G N -0.281 107.681 108.800 -1.397 0.000 2.702 252 G HA2 0.479 4.000 3.960 -0.732 0.000 0.296 252 G HA3 0.479 4.000 3.960 -0.732 0.000 0.296 252 G C -2.193 172.439 174.900 -0.447 0.000 1.463 252 G CA -0.652 44.004 45.100 -0.740 0.000 0.890 252 G HN 0.561 nan 8.290 nan 0.000 0.534 253 Y N 0.997 121.220 120.300 -0.130 0.000 2.377 253 Y HA 0.413 4.523 4.550 -0.732 0.000 0.330 253 Y C 1.371 177.262 175.900 -0.015 0.000 1.108 253 Y CA -0.175 57.881 58.100 -0.074 0.000 1.308 253 Y CB 0.900 39.309 38.460 -0.086 0.000 1.216 253 Y HN 0.300 nan 8.280 nan 0.000 0.518 254 L N 5.809 127.086 121.223 0.090 0.000 2.466 254 L HA 0.155 4.056 4.340 -0.732 0.000 0.257 254 L C -1.270 175.576 176.870 -0.041 0.000 1.189 254 L CA -1.758 53.104 54.840 0.037 0.000 0.813 254 L CB 0.309 42.382 42.059 0.024 0.000 1.118 254 L HN 0.471 nan 8.230 nan 0.000 0.471 255 P HA -0.155 nan 4.420 nan 0.000 0.219 255 P C 0.474 177.685 177.300 -0.148 0.000 1.146 255 P CA 0.991 63.924 63.100 -0.278 0.000 0.808 255 P CB -0.036 31.281 31.700 -0.638 0.000 0.779 256 D N -2.067 118.272 120.400 -0.100 0.000 2.349 256 D HA 0.093 4.293 4.640 -0.732 0.000 0.224 256 D C 1.441 177.730 176.300 -0.018 0.000 1.029 256 D CA 0.672 54.641 54.000 -0.053 0.000 0.879 256 D CB -0.950 39.827 40.800 -0.038 0.000 0.906 256 D HN 0.219 nan 8.370 nan 0.000 0.528 257 G N -0.070 108.734 108.800 0.007 0.000 2.195 257 G HA2 -0.323 3.198 3.960 -0.732 0.000 0.246 257 G HA3 -0.323 3.198 3.960 -0.732 0.000 0.246 257 G C 0.360 175.357 174.900 0.162 0.000 0.984 257 G CA -0.108 45.027 45.100 0.058 0.000 0.633 257 G HN 0.451 nan 8.290 nan 0.000 0.525 258 R N -0.396 120.160 120.500 0.094 0.000 2.641 258 R HA 0.533 4.434 4.340 -0.732 0.000 0.269 258 R C -0.019 176.284 176.300 0.004 0.000 1.074 258 R CA -0.466 55.671 56.100 0.062 0.000 1.133 258 R CB 0.862 31.173 30.300 0.019 0.000 1.029 258 R HN 0.270 nan 8.270 nan 0.000 0.488 259 L N 1.708 122.853 121.223 -0.129 0.000 2.272 259 L HA 0.436 4.337 4.340 -0.732 0.000 0.289 259 L C -0.762 175.948 176.870 -0.268 0.000 1.032 259 L CA 0.022 54.593 54.840 -0.447 0.000 0.810 259 L CB 1.367 43.076 42.059 -0.583 0.000 1.205 259 L HN 0.717 nan 8.230 nan 0.000 0.422 260 A N 5.342 128.013 122.820 -0.247 0.000 2.290 260 A HA 0.767 4.648 4.320 -0.732 0.000 0.310 260 A C -1.017 176.491 177.584 -0.127 0.000 1.202 260 A CA -0.479 51.528 52.037 -0.050 0.000 0.837 260 A CB 0.952 20.062 19.000 0.184 0.000 1.139 260 A HN 0.571 nan 8.150 nan 0.000 0.509 261 V N 2.905 122.823 119.914 0.006 0.000 2.709 261 V HA 0.478 4.158 4.120 -0.732 0.000 0.308 261 V C -0.602 175.661 176.094 0.281 0.000 1.062 261 V CA -0.551 61.753 62.300 0.007 0.000 0.901 261 V CB 1.942 33.627 31.823 -0.230 0.000 1.003 261 V HN 0.656 nan 8.190 nan 0.000 0.425 262 V N 3.431 123.546 119.914 0.335 0.000 2.409 262 V HA 0.914 4.595 4.120 -0.732 0.000 0.291 262 V C 0.191 176.498 176.094 0.355 0.000 1.020 262 V CA -0.228 62.288 62.300 0.359 0.000 0.848 262 V CB 1.421 33.461 31.823 0.362 0.000 0.990 262 V HN 1.081 nan 8.190 nan 0.000 0.430 263 A N 5.852 128.921 122.820 0.415 0.000 2.515 263 A HA 0.991 4.872 4.320 -0.732 0.000 0.296 263 A C -0.683 177.172 177.584 0.451 0.000 1.094 263 A CA -0.934 51.362 52.037 0.432 0.000 0.718 263 A CB 1.967 21.302 19.000 0.559 0.000 1.307 263 A HN 0.779 nan 8.150 nan 0.000 0.408 264 R N 0.050 120.795 120.500 0.409 0.000 2.795 264 R HA 0.810 4.710 4.340 -0.732 0.000 0.275 264 R C -0.704 175.731 176.300 0.225 0.000 0.981 264 R CA -0.895 55.404 56.100 0.333 0.000 0.917 264 R CB 2.612 33.007 30.300 0.159 0.000 1.202 264 R HN 0.894 nan 8.270 nan 0.000 0.469 265 R N 0.650 121.231 120.500 0.134 0.000 2.561 265 R HA 0.161 4.062 4.340 -0.732 0.000 0.266 265 R C -1.133 175.152 176.300 -0.024 0.000 1.091 265 R CA -0.496 55.559 56.100 -0.075 0.000 0.927 265 R CB 1.469 31.576 30.300 -0.321 0.000 1.240 265 R HN 0.821 nan 8.270 nan 0.000 0.449 266 E N 2.082 122.206 120.200 -0.127 0.000 2.389 266 E HA -0.251 3.660 4.350 -0.732 0.000 0.243 266 E C 0.518 177.253 176.600 0.225 0.000 1.154 266 E CA 1.049 57.485 56.400 0.059 0.000 0.723 266 E CB -1.328 28.535 29.700 0.271 0.000 1.261 266 E HN 1.166 nan 8.360 nan 0.000 0.390 267 G N -0.316 108.541 108.800 0.095 0.000 2.159 267 G HA2 -0.365 3.156 3.960 -0.732 0.000 0.256 267 G HA3 -0.365 3.156 3.960 -0.732 0.000 0.256 267 G C 0.202 175.124 174.900 0.037 0.000 0.977 267 G CA 0.680 45.848 45.100 0.112 0.000 0.652 267 G HN 0.314 nan 8.290 nan 0.000 0.531 268 R N -0.330 120.245 120.500 0.126 0.000 2.808 268 R HA 0.693 4.594 4.340 -0.732 0.000 0.272 268 R C 0.092 176.518 176.300 0.210 0.000 0.995 268 R CA -0.038 56.142 56.100 0.133 0.000 0.917 268 R CB 1.869 32.290 30.300 0.202 0.000 1.217 268 R HN 0.422 nan 8.270 nan 0.000 0.471 269 S N 0.243 116.067 115.700 0.207 0.000 2.739 269 S HA 0.924 4.954 4.470 -0.732 0.000 0.306 269 S C -0.808 173.988 174.600 0.326 0.000 1.115 269 S CA -0.761 57.624 58.200 0.309 0.000 0.985 269 S CB 2.198 65.563 63.200 0.274 0.000 1.133 269 S HN 0.702 nan 8.310 nan 0.000 0.541 270 A N 0.248 123.155 122.820 0.145 0.000 2.572 270 A HA 0.717 4.598 4.320 -0.732 0.000 0.295 270 A C -1.341 176.020 177.584 -0.371 0.000 1.072 270 A CA -0.747 51.132 52.037 -0.264 0.000 0.691 270 A CB 1.492 20.061 19.000 -0.719 0.000 1.291 270 A HN 0.968 nan 8.150 nan 0.000 0.404 271 V N 1.485 121.004 119.914 -0.658 0.000 2.417 271 V HA 0.663 4.343 4.120 -0.732 0.000 0.291 271 V C -1.189 174.480 176.094 -0.709 0.000 1.024 271 V CA -0.176 61.856 62.300 -0.447 0.000 0.861 271 V CB 0.754 32.372 31.823 -0.342 0.000 0.985 271 V HN 0.658 nan 8.190 nan 0.000 0.436 272 F N 4.723 124.652 119.950 -0.036 0.000 2.540 272 F HA 0.664 4.751 4.527 -0.733 0.000 0.317 272 F C -0.273 175.494 175.800 -0.055 0.000 1.104 272 F CA -0.914 57.065 58.000 -0.035 0.000 0.913 272 F CB 1.866 40.867 39.000 0.002 0.000 1.170 272 F HN 0.143 nan 8.300 nan 0.000 0.450 273 I N 2.657 123.298 120.570 0.119 0.000 2.410 273 I HA 0.221 3.952 4.170 -0.732 0.000 0.286 273 I C -0.393 175.747 176.117 0.038 0.000 1.009 273 I CA -0.728 60.599 61.300 0.045 0.000 1.111 273 I CB 1.184 39.198 38.000 0.023 0.000 1.262 273 I HN 0.610 nan 8.210 nan 0.000 0.443 274 D N 5.643 126.036 120.400 -0.013 0.000 2.702 274 D HA -0.200 4.001 4.640 -0.732 0.000 0.233 274 D C 1.355 177.664 176.300 0.014 0.000 1.164 274 D CA 1.727 55.716 54.000 -0.018 0.000 0.638 274 D CB -0.716 40.085 40.800 0.003 0.000 1.041 274 D HN 1.133 nan 8.370 nan 0.000 0.422 275 G N -0.322 108.496 108.800 0.029 0.000 2.241 275 G HA2 -0.358 3.163 3.960 -0.732 0.000 0.244 275 G HA3 -0.358 3.163 3.960 -0.732 0.000 0.244 275 G C 0.166 175.220 174.900 0.256 0.000 0.998 275 G CA 0.364 45.522 45.100 0.096 0.000 0.621 275 G HN 0.594 nan 8.290 nan 0.000 0.519 276 E N 0.919 121.245 120.200 0.211 0.000 2.229 276 E HA 0.497 4.408 4.350 -0.732 0.000 0.283 276 E C 0.588 177.307 176.600 0.197 0.000 1.030 276 E CA -0.820 55.695 56.400 0.191 0.000 0.836 276 E CB 0.450 30.204 29.700 0.090 0.000 1.068 276 E HN 0.397 nan 8.360 nan 0.000 0.401 277 R N 3.217 123.813 120.500 0.160 0.000 2.438 277 R HA 0.232 4.132 4.340 -0.732 0.000 0.287 277 R C -1.029 175.160 176.300 -0.185 0.000 1.077 277 R CA -0.417 55.559 56.100 -0.206 0.000 1.034 277 R CB 0.825 30.981 30.300 -0.239 0.000 0.993 277 R HN 0.317 nan 8.270 nan 0.000 0.459 278 V N 3.503 123.246 119.914 -0.285 0.000 2.483 278 V HA 0.149 3.830 4.120 -0.732 0.000 0.295 278 V C -0.179 175.785 176.094 -0.217 0.000 1.035 278 V CA -0.815 61.369 62.300 -0.194 0.000 0.896 278 V CB 1.533 33.252 31.823 -0.172 0.000 0.986 278 V HN 0.782 nan 8.190 nan 0.000 0.447 279 E N 2.923 123.038 120.200 -0.142 0.000 2.465 279 E HA 0.440 4.350 4.350 -0.732 0.000 0.260 279 E C -0.195 176.309 176.600 -0.160 0.000 0.980 279 E CA 0.525 56.852 56.400 -0.122 0.000 0.927 279 E CB 0.667 30.322 29.700 -0.074 0.000 0.934 279 E HN 0.953 nan 8.360 nan 0.000 0.459 280 A N 5.094 127.815 122.820 -0.166 0.000 2.572 280 A HA 0.613 4.494 4.320 -0.732 0.000 0.295 280 A C -2.632 174.900 177.584 -0.086 0.000 1.072 280 A CA -1.543 50.367 52.037 -0.211 0.000 0.691 280 A CB 1.168 19.867 19.000 -0.501 0.000 1.291 280 A HN 0.600 nan 8.150 nan 0.000 0.404 281 P HA 0.139 nan 4.420 nan 0.000 0.268 281 P C -0.630 176.713 177.300 0.072 0.000 1.205 281 P CA 0.044 63.049 63.100 -0.158 0.000 0.771 281 P CB 0.370 31.720 31.700 -0.584 0.000 0.858 282 Q N 1.070 120.951 119.800 0.135 0.000 2.286 282 Q HA 0.365 4.265 4.340 -0.732 0.000 0.290 282 Q C 0.869 177.048 176.000 0.299 0.000 1.049 282 Q CA 1.198 57.127 55.803 0.210 0.000 0.923 282 Q CB 0.223 29.063 28.738 0.170 0.000 1.183 282 Q HN 0.851 nan 8.270 nan 0.000 0.383 283 G N 3.070 111.968 108.800 0.163 0.000 2.384 283 G HA2 -0.080 3.440 3.960 -0.732 0.000 0.150 283 G HA3 -0.080 3.440 3.960 -0.732 0.000 0.150 283 G C -1.281 173.484 174.900 -0.224 0.000 1.269 283 G CA -0.823 44.271 45.100 -0.009 0.000 1.094 283 G HN 0.556 nan 8.290 nan 0.000 0.467 284 N N 0.301 118.769 118.700 -0.387 0.000 2.240 284 N HA 0.654 4.955 4.740 -0.732 0.000 0.302 284 N C -1.461 173.722 175.510 -0.544 0.000 1.106 284 N CA -0.347 52.455 53.050 -0.414 0.000 0.778 284 N CB 1.832 40.203 38.487 -0.193 0.000 1.431 284 N HN 0.590 nan 8.380 nan 0.000 0.479 285 H N -1.031 118.079 119.070 0.066 0.000 2.731 285 H HA 0.593 4.710 4.556 -0.732 0.000 0.368 285 H C 0.617 175.949 175.328 0.007 0.000 1.168 285 H CA -0.798 55.278 56.048 0.047 0.000 1.181 285 H CB 1.732 31.522 29.762 0.045 0.000 1.743 285 H HN 0.607 nan 8.280 nan 0.000 0.547 286 G N -0.204 108.634 108.800 0.065 0.000 3.019 286 G HA2 0.204 3.725 3.960 -0.732 0.000 0.152 286 G HA3 0.204 3.725 3.960 -0.732 0.000 0.152 286 G C -0.397 174.362 174.900 -0.236 0.000 1.320 286 G CA -0.976 44.084 45.100 -0.068 0.000 1.013 286 G HN 0.713 nan 8.290 nan 0.000 0.593 287 R N -0.972 119.198 120.500 -0.550 0.000 2.734 287 R HA 0.335 4.236 4.340 -0.732 0.000 0.266 287 R C -1.183 174.702 176.300 -0.692 0.000 1.044 287 R CA -0.112 55.274 56.100 -1.191 0.000 1.128 287 R CB 0.550 30.139 30.300 -1.184 0.000 1.010 287 R HN 0.123 nan 8.270 nan 0.000 0.461 288 V N 4.786 124.242 119.914 -0.763 0.000 2.495 288 V HA 0.411 4.091 4.120 -0.732 0.000 0.298 288 V C -0.048 176.013 176.094 -0.056 0.000 1.031 288 V CA -0.667 61.512 62.300 -0.202 0.000 0.871 288 V CB 1.402 33.249 31.823 0.041 0.000 0.988 288 V HN 0.736 nan 8.190 nan 0.000 0.432 289 V N 3.117 123.042 119.914 0.018 0.000 3.046 289 V HA 0.776 4.457 4.120 -0.732 0.000 0.316 289 V C -0.920 175.277 176.094 0.171 0.000 1.104 289 V CA -1.122 61.259 62.300 0.135 0.000 1.006 289 V CB 2.079 33.991 31.823 0.149 0.000 1.058 289 V HN 0.634 nan 8.190 nan 0.000 0.440 290 L N 3.247 124.600 121.223 0.217 0.000 2.272 290 L HA 0.708 4.608 4.340 -0.732 0.000 0.289 290 L C -1.191 175.894 176.870 0.358 0.000 1.032 290 L CA -0.106 54.861 54.840 0.212 0.000 0.810 290 L CB 1.076 43.206 42.059 0.119 0.000 1.205 290 L HN 0.955 nan 8.230 nan 0.000 0.422 291 W N 6.848 128.214 121.300 0.110 0.000 2.756 291 W HA 0.496 4.717 4.660 -0.732 0.000 0.333 291 W C -0.085 176.483 176.519 0.082 0.000 1.025 291 W CA -0.870 56.545 57.345 0.116 0.000 1.246 291 W CB 0.773 30.290 29.460 0.095 0.000 1.358 291 W HN 0.625 nan 8.180 nan 0.000 0.444 292 R N 4.587 124.890 120.500 -0.329 0.000 3.333 292 R HA -0.191 3.709 4.340 -0.732 0.000 0.256 292 R C 1.063 177.247 176.300 -0.194 0.000 1.010 292 R CA 1.269 57.133 56.100 -0.393 0.000 0.680 292 R CB -1.841 27.998 30.300 -0.769 0.000 1.102 292 R HN 1.523 nan 8.270 nan 0.000 0.440 293 G N -0.327 108.435 108.800 -0.063 0.000 2.180 293 G HA2 -0.375 3.145 3.960 -0.732 0.000 0.263 293 G HA3 -0.375 3.145 3.960 -0.732 0.000 0.263 293 G C 0.037 174.932 174.900 -0.008 0.000 0.989 293 G CA 1.204 46.288 45.100 -0.026 0.000 0.692 293 G HN 0.447 nan 8.290 nan 0.000 0.526 294 K N -0.565 119.845 120.400 0.017 0.000 2.318 294 K HA 0.643 4.523 4.320 -0.732 0.000 0.249 294 K C 0.161 176.824 176.600 0.105 0.000 0.942 294 K CA -1.000 55.315 56.287 0.046 0.000 0.808 294 K CB 1.962 34.487 32.500 0.041 0.000 1.189 294 K HN 0.100 nan 8.250 nan 0.000 0.428 295 L N 2.159 123.425 121.223 0.072 0.000 2.349 295 L HA 0.343 4.243 4.340 -0.732 0.000 0.275 295 L C -0.377 176.539 176.870 0.077 0.000 1.115 295 L CA -0.691 54.192 54.840 0.070 0.000 0.820 295 L CB 0.918 42.989 42.059 0.019 0.000 1.135 295 L HN 0.218 nan 8.230 nan 0.000 0.445 296 V N 1.934 121.894 119.914 0.078 0.000 2.709 296 V HA 0.646 4.326 4.120 -0.732 0.000 0.308 296 V C -0.152 175.925 176.094 -0.027 0.000 1.062 296 V CA -0.435 61.888 62.300 0.039 0.000 0.901 296 V CB 2.123 33.987 31.823 0.070 0.000 1.003 296 V HN 0.845 nan 8.190 nan 0.000 0.425 297 T N 1.645 116.170 114.554 -0.048 0.000 2.812 297 T HA 0.608 4.519 4.350 -0.732 0.000 0.294 297 T C -0.402 174.283 174.700 -0.025 0.000 1.159 297 T CA 0.032 62.098 62.100 -0.057 0.000 1.008 297 T CB 1.997 70.841 68.868 -0.040 0.000 1.289 297 T HN 1.011 nan 8.240 nan 0.000 0.514 298 S N 1.141 116.836 115.700 -0.007 0.000 2.646 298 S HA 0.611 4.641 4.470 -0.732 0.000 0.276 298 S C -0.721 173.972 174.600 0.153 0.000 1.222 298 S CA -0.556 57.666 58.200 0.037 0.000 1.014 298 S CB 1.001 64.199 63.200 -0.003 0.000 0.991 298 S HN 0.877 nan 8.310 nan 0.000 0.533 299 H N -0.278 118.797 119.070 0.007 0.000 2.954 299 H HA 0.521 4.638 4.556 -0.732 0.000 0.361 299 H C -1.669 173.624 175.328 -0.057 0.000 1.122 299 H CA -0.326 55.718 56.048 -0.006 0.000 1.217 299 H CB 2.155 31.955 29.762 0.062 0.000 1.776 299 H HN 0.804 nan 8.280 nan 0.000 0.533 300 T N 2.269 116.422 114.554 -0.668 0.000 2.900 300 T HA 0.549 4.460 4.350 -0.732 0.000 0.303 300 T C -1.320 173.020 174.700 -0.600 0.000 1.142 300 T CA -0.150 61.620 62.100 -0.551 0.000 1.007 300 T CB 1.369 70.106 68.868 -0.219 0.000 1.156 300 T HN 0.808 nan 8.240 nan 0.000 0.490 301 S N 2.424 117.945 115.700 -0.299 0.000 2.656 301 S HA 0.473 4.503 4.470 -0.732 0.000 0.273 301 S C 0.859 175.500 174.600 0.068 0.000 1.168 301 S CA -0.914 57.215 58.200 -0.118 0.000 0.817 301 S CB 0.599 63.774 63.200 -0.043 0.000 1.146 301 S HN 0.612 nan 8.310 nan 0.000 0.475 302 L N 1.472 122.716 121.223 0.035 0.000 2.261 302 L HA -0.064 3.836 4.340 -0.732 0.000 0.216 302 L C 2.273 179.260 176.870 0.195 0.000 1.114 302 L CA 1.643 56.520 54.840 0.061 0.000 0.777 302 L CB -0.494 41.575 42.059 0.017 0.000 0.910 302 L HN 0.897 nan 8.230 nan 0.000 0.440 303 S N -3.728 112.114 115.700 0.236 0.000 2.540 303 S HA 0.131 4.161 4.470 -0.732 0.000 0.218 303 S C 0.565 175.359 174.600 0.323 0.000 0.977 303 S CA -0.388 57.991 58.200 0.299 0.000 0.918 303 S CB 0.327 63.645 63.200 0.197 0.000 0.806 303 S HN 0.182 nan 8.310 nan 0.000 0.496 304 T N 4.181 118.891 114.554 0.260 0.000 2.965 304 T HA 0.473 4.384 4.350 -0.732 0.000 0.306 304 T C -3.145 171.380 174.700 -0.293 0.000 0.991 304 T CA -1.362 60.711 62.100 -0.044 0.000 1.001 304 T CB 1.934 70.781 68.868 -0.035 0.000 0.984 304 T HN -0.056 nan 8.240 nan 0.000 0.446 305 P HA 0.201 nan 4.420 nan 0.000 0.268 305 P C -2.594 174.431 177.300 -0.458 0.000 1.208 305 P CA -1.313 61.125 63.100 -1.103 0.000 0.777 305 P CB -0.477 30.468 31.700 -1.258 0.000 0.875 306 P HA -0.016 nan 4.420 nan 0.000 0.260 306 P C -0.178 177.088 177.300 -0.057 0.000 1.172 306 P CA 0.859 63.862 63.100 -0.162 0.000 0.760 306 P CB 0.162 31.784 31.700 -0.130 0.000 0.773 307 R N 2.549 123.046 120.500 -0.005 0.000 2.817 307 R HA 0.674 4.574 4.340 -0.732 0.000 0.268 307 R C -1.155 175.146 176.300 0.003 0.000 1.027 307 R CA -1.052 55.074 56.100 0.043 0.000 0.928 307 R CB 1.035 31.339 30.300 0.007 0.000 1.228 307 R HN 0.057 nan 8.270 nan 0.000 0.469 308 I N 2.466 122.970 120.570 -0.109 0.000 2.359 308 I HA 0.374 4.105 4.170 -0.732 0.000 0.294 308 I C 0.363 176.395 176.117 -0.142 0.000 0.987 308 I CA -0.834 60.368 61.300 -0.164 0.000 1.225 308 I CB 1.183 38.970 38.000 -0.354 0.000 1.366 308 I HN 0.612 nan 8.210 nan 0.000 0.466 309 V N 2.568 122.437 119.914 -0.075 0.000 3.001 309 V HA 0.716 4.397 4.120 -0.732 0.000 0.314 309 V C -0.102 175.969 176.094 -0.039 0.000 1.099 309 V CA -0.752 61.515 62.300 -0.055 0.000 0.989 309 V CB 1.857 33.657 31.823 -0.038 0.000 1.040 309 V HN 0.744 nan 8.190 nan 0.000 0.434 310 S N 2.515 118.207 115.700 -0.015 0.000 2.525 310 S HA 0.748 4.779 4.470 -0.732 0.000 0.278 310 S C -0.572 174.018 174.600 -0.016 0.000 1.234 310 S CA -0.599 57.614 58.200 0.022 0.000 1.058 310 S CB 0.220 63.452 63.200 0.054 0.000 0.983 310 S HN 0.706 nan 8.310 nan 0.000 0.495 311 L N 5.720 126.933 121.223 -0.018 0.000 2.334 311 L HA 0.523 4.424 4.340 -0.732 0.000 0.273 311 L C -1.473 175.380 176.870 -0.029 0.000 1.013 311 L CA -2.034 52.776 54.840 -0.051 0.000 0.816 311 L CB 2.006 44.014 42.059 -0.085 0.000 1.278 311 L HN 0.560 nan 8.230 nan 0.000 0.431 312 P HA -0.000 nan 4.420 nan 0.000 0.255 312 P C 1.026 178.295 177.300 -0.052 0.000 1.248 312 P CA 0.253 63.317 63.100 -0.059 0.000 0.807 312 P CB 0.445 32.114 31.700 -0.051 0.000 1.150 313 S N -0.501 115.177 115.700 -0.037 0.000 2.428 313 S HA 0.092 4.123 4.470 -0.732 0.000 0.230 313 S C 1.888 176.461 174.600 -0.044 0.000 1.014 313 S CA 1.009 59.191 58.200 -0.030 0.000 0.957 313 S CB -1.560 61.631 63.200 -0.015 0.000 0.784 313 S HN 0.279 nan 8.310 nan 0.000 0.499 314 G N 0.657 109.420 108.800 -0.062 0.000 2.168 314 G HA2 -0.317 3.204 3.960 -0.732 0.000 0.263 314 G HA3 -0.317 3.204 3.960 -0.732 0.000 0.263 314 G C -0.105 174.758 174.900 -0.061 0.000 0.977 314 G CA 0.417 45.464 45.100 -0.089 0.000 0.659 314 G HN 0.771 nan 8.290 nan 0.000 0.533 315 E N 1.881 122.061 120.200 -0.033 0.000 2.376 315 E HA 0.422 4.333 4.350 -0.732 0.000 0.266 315 E C -1.795 174.788 176.600 -0.027 0.000 1.009 315 E CA -1.732 54.656 56.400 -0.019 0.000 0.902 315 E CB 0.650 30.350 29.700 -0.001 0.000 0.972 315 E HN 0.245 nan 8.360 nan 0.000 0.439 316 P HA 0.038 nan 4.420 nan 0.000 0.276 316 P C 0.033 177.280 177.300 -0.088 0.000 1.235 316 P CA 0.188 63.251 63.100 -0.062 0.000 0.772 316 P CB 0.914 32.583 31.700 -0.052 0.000 0.871 317 L N 2.092 123.215 121.223 -0.168 0.000 2.253 317 L HA 0.164 4.065 4.340 -0.732 0.000 0.205 317 L C 0.815 177.414 176.870 -0.450 0.000 1.078 317 L CA 0.846 55.535 54.840 -0.252 0.000 0.805 317 L CB -0.016 41.817 42.059 -0.376 0.000 0.963 317 L HN 0.283 nan 8.230 nan 0.000 0.459 318 L N 0.810 121.716 121.223 -0.529 0.000 2.528 318 L HA 0.379 4.279 4.340 -0.732 0.000 0.267 318 L C -1.003 175.571 176.870 -0.494 0.000 0.961 318 L CA -0.230 54.217 54.840 -0.656 0.000 0.866 318 L CB 1.593 43.015 42.059 -1.061 0.000 1.248 318 L HN 0.225 nan 8.230 nan 0.000 0.404 319 E N 2.970 123.007 120.200 -0.271 0.000 2.366 319 E HA 0.725 4.636 4.350 -0.732 0.000 0.278 319 E C -0.630 176.028 176.600 0.097 0.000 0.923 319 E CA -1.119 55.272 56.400 -0.016 0.000 0.761 319 E CB 1.425 31.098 29.700 -0.045 0.000 1.231 319 E HN 0.679 nan 8.360 nan 0.000 0.443 320 G N 0.646 109.536 108.800 0.150 0.000 2.527 320 G HA2 0.448 3.969 3.960 -0.732 0.000 0.248 320 G HA3 0.448 3.969 3.960 -0.732 0.000 0.248 320 G C 0.151 175.040 174.900 -0.019 0.000 1.231 320 G CA -0.246 44.884 45.100 0.050 0.000 0.838 320 G HN 0.549 nan 8.290 nan 0.000 0.570 321 G N -0.141 108.650 108.800 -0.016 0.000 2.338 321 G HA2 0.518 4.038 3.960 -0.732 0.000 0.298 321 G HA3 0.518 4.038 3.960 -0.732 0.000 0.298 321 G C -0.318 174.568 174.900 -0.024 0.000 1.140 321 G CA -0.540 44.550 45.100 -0.017 0.000 0.860 321 G HN 0.534 nan 8.290 nan 0.000 0.470 322 L N 3.108 124.319 121.223 -0.020 0.000 2.342 322 L HA 0.428 4.328 4.340 -0.732 0.000 0.271 322 L C -1.902 174.975 176.870 0.011 0.000 1.008 322 L CA -1.967 52.873 54.840 -0.001 0.000 0.818 322 L CB 2.404 44.466 42.059 0.005 0.000 1.296 322 L HN 0.359 nan 8.230 nan 0.000 0.427 323 P HA 0.076 nan 4.420 nan 0.000 0.274 323 P C 0.342 177.657 177.300 0.026 0.000 1.231 323 P CA -0.512 62.600 63.100 0.021 0.000 0.790 323 P CB 0.598 32.311 31.700 0.023 0.000 0.951 324 E N 0.675 120.889 120.200 0.023 0.000 2.114 324 E HA -0.326 3.585 4.350 -0.732 0.000 0.199 324 E C 1.487 178.105 176.600 0.031 0.000 1.008 324 E CA 2.027 58.442 56.400 0.025 0.000 0.810 324 E CB -1.064 28.648 29.700 0.021 0.000 0.739 324 E HN 0.517 nan 8.360 nan 0.000 0.456 325 D N 1.774 122.191 120.400 0.029 0.000 2.084 325 D HA -0.122 4.079 4.640 -0.732 0.000 0.194 325 D C 2.040 178.363 176.300 0.039 0.000 0.990 325 D CA 1.516 55.534 54.000 0.030 0.000 0.826 325 D CB -0.707 40.108 40.800 0.024 0.000 0.971 325 D HN 0.175 nan 8.370 nan 0.000 0.453 326 L N 0.016 121.266 121.223 0.045 0.000 2.042 326 L HA -0.067 3.834 4.340 -0.732 0.000 0.210 326 L C 2.357 179.274 176.870 0.077 0.000 1.076 326 L CA 1.802 56.679 54.840 0.062 0.000 0.749 326 L CB -0.561 41.538 42.059 0.067 0.000 0.893 326 L HN 0.083 nan 8.230 nan 0.000 0.432 327 R N 0.297 120.837 120.500 0.066 0.000 2.094 327 R HA -0.143 3.758 4.340 -0.732 0.000 0.239 327 R C 2.441 178.787 176.300 0.077 0.000 1.137 327 R CA 1.756 57.899 56.100 0.071 0.000 0.943 327 R CB -0.646 29.683 30.300 0.048 0.000 0.850 327 R HN 0.414 nan 8.270 nan 0.000 0.433 328 R N -0.023 120.514 120.500 0.062 0.000 2.189 328 R HA -0.054 3.847 4.340 -0.732 0.000 0.223 328 R C 2.141 178.482 176.300 0.069 0.000 1.092 328 R CA 1.364 57.501 56.100 0.061 0.000 0.989 328 R CB -0.191 30.137 30.300 0.046 0.000 0.876 328 R HN 0.374 nan 8.270 nan 0.000 0.457 329 S N 0.438 116.179 115.700 0.069 0.000 2.423 329 S HA -0.039 3.992 4.470 -0.732 0.000 0.231 329 S C 1.018 175.675 174.600 0.095 0.000 1.014 329 S CA 0.553 58.794 58.200 0.069 0.000 0.965 329 S CB -0.028 63.207 63.200 0.058 0.000 0.785 329 S HN 0.132 nan 8.310 nan 0.000 0.495 330 I N 2.118 122.758 120.570 0.117 0.000 2.310 330 I HA 0.495 4.225 4.170 -0.732 0.000 0.287 330 I C -0.009 176.194 176.117 0.143 0.000 1.073 330 I CA -0.411 60.975 61.300 0.143 0.000 1.216 330 I CB 1.151 39.267 38.000 0.193 0.000 1.415 330 I HN 0.284 nan 8.210 nan 0.000 0.480 331 A N 5.561 128.465 122.820 0.140 0.000 3.105 331 A HA 0.738 4.619 4.320 -0.732 0.000 0.336 331 A C 0.344 178.007 177.584 0.131 0.000 1.042 331 A CA -0.258 51.856 52.037 0.127 0.000 0.851 331 A CB 0.185 19.256 19.000 0.118 0.000 1.068 331 A HN 0.933 nan 8.150 nan 0.000 0.477 332 G N 0.768 109.649 108.800 0.135 0.000 3.190 332 G HA2 0.323 3.844 3.960 -0.732 0.000 0.686 332 G HA3 0.323 3.844 3.960 -0.732 0.000 0.686 332 G C -0.282 174.704 174.900 0.143 0.000 1.033 332 G CA -0.208 44.970 45.100 0.131 0.000 0.797 332 G HN 2.011 nan 8.290 nan 0.000 0.567 333 S N 1.725 117.517 115.700 0.153 0.000 2.568 333 S HA 0.967 4.997 4.470 -0.732 0.000 0.302 333 S C -0.032 174.685 174.600 0.195 0.000 1.082 333 S CA -0.113 58.198 58.200 0.184 0.000 1.009 333 S CB 2.423 65.739 63.200 0.193 0.000 1.069 333 S HN 1.742 nan 8.310 nan 0.000 0.500 334 R N 0.346 120.967 120.500 0.201 0.000 2.710 334 R HA 0.671 4.572 4.340 -0.732 0.000 0.270 334 R C -2.121 174.117 176.300 -0.103 0.000 1.021 334 R CA -1.086 55.079 56.100 0.108 0.000 0.889 334 R CB 0.889 31.236 30.300 0.078 0.000 1.243 334 R HN 0.551 nan 8.270 nan 0.000 0.464 335 L N 2.332 123.384 121.223 -0.285 0.000 2.282 335 L HA 0.548 4.449 4.340 -0.732 0.000 0.288 335 L C -0.718 175.874 176.870 -0.463 0.000 1.033 335 L CA -0.487 53.924 54.840 -0.714 0.000 0.807 335 L CB 1.755 43.417 42.059 -0.661 0.000 1.209 335 L HN 0.605 nan 8.230 nan 0.000 0.423 336 V N 1.604 121.147 119.914 -0.618 0.000 2.769 336 V HA 0.641 4.322 4.120 -0.732 0.000 0.312 336 V C -1.315 174.378 176.094 -0.667 0.000 1.061 336 V CA -0.824 61.170 62.300 -0.511 0.000 0.931 336 V CB 1.595 33.019 31.823 -0.666 0.000 1.010 336 V HN 0.811 nan 8.190 nan 0.000 0.433 337 W N 2.657 123.742 121.300 -0.359 0.000 2.291 337 W HA 0.694 4.916 4.660 -0.731 0.000 0.312 337 W C -0.328 176.002 176.519 -0.316 0.000 1.061 337 W CA -0.558 56.596 57.345 -0.318 0.000 1.296 337 W CB 1.730 31.053 29.460 -0.229 0.000 1.223 337 W HN 0.526 nan 8.180 nan 0.000 0.421 338 V N 3.335 123.127 119.914 -0.203 0.000 2.432 338 V HA 0.119 3.799 4.120 -0.732 0.000 0.275 338 V C 0.194 176.292 176.094 0.008 0.000 1.043 338 V CA -0.969 61.221 62.300 -0.183 0.000 0.925 338 V CB 1.316 32.990 31.823 -0.249 0.000 0.985 338 V HN 0.424 nan 8.190 nan 0.000 0.466 339 E N 3.615 123.859 120.200 0.073 0.000 2.217 339 E HA 0.308 4.219 4.350 -0.732 0.000 0.279 339 E C 0.166 176.830 176.600 0.107 0.000 1.068 339 E CA 0.146 56.595 56.400 0.082 0.000 0.882 339 E CB 0.933 30.684 29.700 0.085 0.000 1.039 339 E HN 0.734 nan 8.360 nan 0.000 0.418 340 S N 2.904 118.658 115.700 0.090 0.000 2.590 340 S HA 0.289 4.319 4.470 -0.732 0.000 0.282 340 S C 0.690 175.358 174.600 0.113 0.000 1.136 340 S CA -0.380 57.906 58.200 0.144 0.000 1.030 340 S CB 0.144 63.435 63.200 0.152 0.000 1.195 340 S HN 0.591 nan 8.310 nan 0.000 0.506 341 F N 0.170 120.176 119.950 0.092 0.000 2.262 341 F HA 0.351 4.439 4.527 -0.733 0.000 0.292 341 F C 1.736 177.578 175.800 0.071 0.000 1.081 341 F CA 0.605 58.647 58.000 0.069 0.000 1.355 341 F CB -0.963 38.072 39.000 0.057 0.000 1.069 341 F HN 0.364 nan 8.300 nan 0.000 0.506 342 D N 0.702 120.369 120.400 -1.220 0.000 2.322 342 D HA -0.038 4.162 4.640 -0.732 0.000 0.210 342 D C 2.226 178.392 176.300 -0.223 0.000 0.983 342 D CA 1.821 55.401 54.000 -0.700 0.000 0.902 342 D CB -0.591 39.724 40.800 -0.808 0.000 0.905 342 D HN 0.652 nan 8.370 nan 0.000 0.483 343 G N -0.592 108.124 108.800 -0.139 0.000 2.234 343 G HA2 -0.313 3.207 3.960 -0.732 0.000 0.260 343 G HA3 -0.313 3.207 3.960 -0.732 0.000 0.260 343 G C 0.487 175.340 174.900 -0.078 0.000 0.987 343 G CA 0.776 45.834 45.100 -0.070 0.000 0.625 343 G HN 0.630 nan 8.290 nan 0.000 0.532 344 S N 0.033 115.668 115.700 -0.107 0.000 2.572 344 S HA 0.624 4.654 4.470 -0.732 0.000 0.279 344 S C 0.258 174.835 174.600 -0.038 0.000 1.341 344 S CA -0.105 58.063 58.200 -0.054 0.000 1.043 344 S CB 1.260 64.498 63.200 0.064 0.000 0.887 344 S HN 0.564 nan 8.310 nan 0.000 0.516 345 R N 1.427 121.874 120.500 -0.087 0.000 2.360 345 R HA 0.465 4.366 4.340 -0.732 0.000 0.318 345 R C -1.421 174.874 176.300 -0.009 0.000 0.950 345 R CA -0.717 55.395 56.100 0.018 0.000 0.837 345 R CB 1.716 32.040 30.300 0.040 0.000 1.165 345 R HN 0.521 nan 8.270 nan 0.000 0.458 346 V N 5.626 125.523 119.914 -0.028 0.000 2.368 346 V HA 0.206 3.887 4.120 -0.732 0.000 0.266 346 V C -1.902 173.923 176.094 -0.449 0.000 1.045 346 V CA -1.982 60.241 62.300 -0.128 0.000 0.899 346 V CB 1.002 32.875 31.823 0.082 0.000 1.006 346 V HN 0.604 nan 8.190 nan 0.000 0.470 347 P HA 0.254 nan 4.420 nan 0.000 0.276 347 P C -0.378 176.443 177.300 -0.798 0.000 1.253 347 P CA 0.056 62.313 63.100 -1.406 0.000 0.766 347 P CB 0.626 31.110 31.700 -2.027 0.000 0.845 348 T N 3.935 118.031 114.554 -0.764 0.000 2.881 348 T HA 0.322 4.233 4.350 -0.732 0.000 0.291 348 T C -0.588 173.794 174.700 -0.531 0.000 0.990 348 T CA -0.189 61.625 62.100 -0.477 0.000 0.976 348 T CB 0.285 68.878 68.868 -0.458 0.000 0.970 348 T HN 0.124 nan 8.240 nan 0.000 0.438 349 Y N 1.702 121.898 120.300 -0.173 0.000 2.309 349 Y HA 0.502 4.612 4.550 -0.733 0.000 0.327 349 Y C 0.319 176.198 175.900 -0.036 0.000 1.172 349 Y CA -0.382 57.661 58.100 -0.095 0.000 1.280 349 Y CB 0.992 39.428 38.460 -0.040 0.000 1.234 349 Y HN 0.297 nan 8.280 nan 0.000 0.512 350 V N 5.201 125.198 119.914 0.138 0.000 2.483 350 V HA 0.269 3.949 4.120 -0.732 0.000 0.297 350 V C -1.110 175.100 176.094 0.192 0.000 1.027 350 V CA -0.837 61.562 62.300 0.165 0.000 0.855 350 V CB 1.668 33.594 31.823 0.172 0.000 0.995 350 V HN 0.451 nan 8.190 nan 0.000 0.424 351 L N 4.920 126.257 121.223 0.190 0.000 2.280 351 L HA 0.564 4.465 4.340 -0.732 0.000 0.287 351 L C 0.181 177.180 176.870 0.216 0.000 1.023 351 L CA 0.242 55.188 54.840 0.176 0.000 0.819 351 L CB 1.163 43.303 42.059 0.134 0.000 1.212 351 L HN 0.663 nan 8.230 nan 0.000 0.420 352 E N 2.401 122.724 120.200 0.205 0.000 2.331 352 E HA 0.210 4.120 4.350 -0.732 0.000 0.272 352 E C -0.637 176.157 176.600 0.324 0.000 1.036 352 E CA -0.326 56.241 56.400 0.278 0.000 0.864 352 E CB 1.277 31.056 29.700 0.132 0.000 1.035 352 E HN 0.605 nan 8.360 nan 0.000 0.408 353 S N 1.228 117.213 115.700 0.475 0.000 2.499 353 S HA 0.273 4.303 4.470 -0.732 0.000 0.279 353 S C 1.041 175.739 174.600 0.163 0.000 1.219 353 S CA -0.416 57.894 58.200 0.184 0.000 1.062 353 S CB 1.062 64.243 63.200 -0.031 0.000 0.978 353 S HN 0.646 nan 8.310 nan 0.000 0.489 354 G N 3.618 112.482 108.800 0.107 0.000 2.679 354 G HA2 -0.008 3.512 3.960 -0.732 0.000 0.212 354 G HA3 -0.008 3.512 3.960 -0.732 0.000 0.212 354 G C 1.054 175.975 174.900 0.036 0.000 1.137 354 G CA -0.018 45.130 45.100 0.081 0.000 0.787 354 G HN 0.735 nan 8.290 nan 0.000 0.534 355 R N -0.215 120.283 120.500 -0.005 0.000 2.507 355 R HA 0.485 4.386 4.340 -0.732 0.000 0.298 355 R C 0.116 176.345 176.300 -0.119 0.000 0.999 355 R CA -0.009 56.060 56.100 -0.052 0.000 1.082 355 R CB 0.845 31.110 30.300 -0.059 0.000 1.246 355 R HN 0.224 nan 8.270 nan 0.000 0.553 356 A N 1.833 124.574 122.820 -0.132 0.000 2.371 356 A HA 0.602 4.483 4.320 -0.732 0.000 0.311 356 A C -2.520 175.049 177.584 -0.025 0.000 1.068 356 A CA -1.711 50.199 52.037 -0.211 0.000 0.744 356 A CB 1.195 19.843 19.000 -0.585 0.000 1.239 356 A HN -0.098 nan 8.150 nan 0.000 0.435 357 P HA 0.401 nan 4.420 nan 0.000 0.275 357 P C -0.481 176.931 177.300 0.187 0.000 1.266 357 P CA -0.005 63.140 63.100 0.074 0.000 0.793 357 P CB 0.694 32.411 31.700 0.027 0.000 1.074 358 T N 1.653 116.283 114.554 0.128 0.000 2.833 358 T HA 0.411 4.321 4.350 -0.732 0.000 0.297 358 T C -2.279 172.441 174.700 0.034 0.000 1.015 358 T CA -0.917 61.239 62.100 0.094 0.000 0.963 358 T CB 0.375 69.257 68.868 0.023 0.000 0.955 358 T HN 0.369 nan 8.240 nan 0.000 0.449 359 P HA 0.591 nan 4.420 nan 0.000 0.275 359 P C -0.012 177.347 177.300 0.098 0.000 1.228 359 P CA -0.245 62.882 63.100 0.045 0.000 0.786 359 P CB 0.975 32.678 31.700 0.005 0.000 0.927 360 G N 1.289 110.198 108.800 0.181 0.000 2.866 360 G HA2 0.590 4.111 3.960 -0.732 0.000 0.289 360 G HA3 0.590 4.111 3.960 -0.732 0.000 0.289 360 G C -3.238 171.749 174.900 0.145 0.000 1.396 360 G CA -1.632 43.544 45.100 0.126 0.000 0.848 360 G HN 0.216 nan 8.290 nan 0.000 0.515 361 P HA 0.310 nan 4.420 nan 0.000 0.267 361 P C -0.558 176.967 177.300 0.375 0.000 1.205 361 P CA 0.384 63.628 63.100 0.239 0.000 0.765 361 P CB 1.026 32.781 31.700 0.092 0.000 0.828 362 T N 2.612 117.467 114.554 0.501 0.000 2.928 362 T HA 0.348 4.259 4.350 -0.732 0.000 0.296 362 T C -0.523 174.458 174.700 0.469 0.000 1.000 362 T CA -0.436 61.938 62.100 0.458 0.000 0.989 362 T CB 1.016 70.098 68.868 0.357 0.000 1.005 362 T HN -0.060 nan 8.240 nan 0.000 0.442 363 V N 3.646 123.777 119.914 0.361 0.000 2.394 363 V HA 0.340 4.020 4.120 -0.732 0.000 0.282 363 V C 0.174 176.392 176.094 0.206 0.000 1.031 363 V CA -0.771 61.665 62.300 0.227 0.000 0.881 363 V CB 1.678 33.513 31.823 0.020 0.000 0.982 363 V HN 0.731 nan 8.190 nan 0.000 0.451 364 V N 6.663 126.689 119.914 0.186 0.000 2.356 364 V HA 0.196 3.877 4.120 -0.732 0.000 0.258 364 V C -0.017 176.108 176.094 0.052 0.000 1.065 364 V CA -0.165 62.231 62.300 0.160 0.000 0.935 364 V CB 0.934 32.896 31.823 0.232 0.000 1.061 364 V HN 0.627 nan 8.190 nan 0.000 0.484 365 L N 7.825 129.097 121.223 0.082 0.000 2.270 365 L HA 0.463 4.363 4.340 -0.732 0.000 0.286 365 L C -0.112 176.802 176.870 0.074 0.000 1.059 365 L CA 0.375 55.246 54.840 0.052 0.000 0.839 365 L CB 1.161 43.259 42.059 0.065 0.000 1.221 365 L HN 0.401 nan 8.230 nan 0.000 0.431 366 V N 5.040 124.980 119.914 0.044 0.000 2.432 366 V HA 0.251 3.932 4.120 -0.732 0.000 0.275 366 V C 0.037 176.210 176.094 0.131 0.000 1.043 366 V CA -0.691 61.659 62.300 0.084 0.000 0.925 366 V CB 0.725 32.548 31.823 -0.000 0.000 0.985 366 V HN 0.916 nan 8.190 nan 0.000 0.466 367 H N 2.656 121.876 119.070 0.250 0.000 2.615 367 H HA 0.639 4.756 4.556 -0.733 0.000 0.363 367 H C 0.574 176.054 175.328 0.254 0.000 1.148 367 H CA 0.117 56.265 56.048 0.166 0.000 1.401 367 H CB 0.608 30.416 29.762 0.076 0.000 1.461 367 H HN 0.667 nan 8.280 nan 0.000 0.588 368 G N -0.171 108.847 108.800 0.363 0.000 2.494 368 G HA2 0.470 3.990 3.960 -0.732 0.000 0.270 368 G HA3 0.470 3.990 3.960 -0.732 0.000 0.270 368 G C 0.573 175.690 174.900 0.362 0.000 1.423 368 G CA -0.346 44.948 45.100 0.323 0.000 1.055 368 G HN 1.327 nan 8.290 nan 0.000 0.536 369 G N -0.741 108.160 108.800 0.170 0.000 2.539 369 G HA2 -0.159 3.362 3.960 -0.732 0.000 0.230 369 G HA3 -0.159 3.362 3.960 -0.732 0.000 0.230 369 G C -1.099 173.665 174.900 -0.226 0.000 1.758 369 G CA 0.629 45.726 45.100 -0.005 0.000 1.433 369 G HN 0.771 nan 8.290 nan 0.000 0.494 370 P HA 0.203 nan 4.420 nan 0.000 0.236 370 P C 0.509 177.744 177.300 -0.109 0.000 1.177 370 P CA 0.408 63.314 63.100 -0.324 0.000 0.773 370 P CB -0.235 30.980 31.700 -0.809 0.000 0.878 371 F N 1.208 121.167 119.950 0.016 0.000 2.661 371 F HA 0.442 4.531 4.527 -0.730 0.000 0.356 371 F C 1.175 176.946 175.800 -0.049 0.000 1.244 371 F CA -0.715 57.281 58.000 -0.007 0.000 1.290 371 F CB -0.207 38.791 39.000 -0.003 0.000 1.677 371 F HN 0.002 nan 8.300 nan 0.000 0.649 372 A N 1.466 124.302 122.820 0.026 0.000 2.583 372 A HA 0.711 4.592 4.320 -0.732 0.000 0.289 372 A C -1.350 175.965 177.584 -0.449 0.000 1.151 372 A CA -0.772 51.161 52.037 -0.173 0.000 0.695 372 A CB 1.951 20.843 19.000 -0.180 0.000 1.290 372 A HN 0.404 nan 8.150 nan 0.000 0.419 373 E N 0.493 120.452 120.200 -0.401 0.000 2.256 373 E HA 0.406 4.317 4.350 -0.732 0.000 0.268 373 E C -1.660 174.787 176.600 -0.254 0.000 0.877 373 E CA -0.611 55.614 56.400 -0.293 0.000 0.757 373 E CB 1.469 31.126 29.700 -0.071 0.000 1.183 373 E HN 0.520 nan 8.360 nan 0.000 0.418 374 D N 2.744 123.064 120.400 -0.133 0.000 2.380 374 D HA 0.172 4.372 4.640 -0.732 0.000 0.230 374 D C -0.379 175.931 176.300 0.017 0.000 1.154 374 D CA 0.200 54.200 54.000 -0.000 0.000 0.859 374 D CB 1.270 42.157 40.800 0.146 0.000 1.045 374 D HN 0.408 nan 8.370 nan 0.000 0.495 375 S N 1.146 116.751 115.700 -0.157 0.000 2.759 375 S HA 0.331 4.361 4.470 -0.732 0.000 0.310 375 S C -0.078 174.102 174.600 -0.700 0.000 1.123 375 S CA -0.961 57.021 58.200 -0.364 0.000 0.959 375 S CB 1.914 64.994 63.200 -0.199 0.000 1.172 375 S HN 0.130 nan 8.310 nan 0.000 0.539 376 D N 1.027 120.890 120.400 -0.895 0.000 2.608 376 D HA 0.439 4.639 4.640 -0.732 0.000 0.224 376 D C -0.880 175.243 176.300 -0.296 0.000 1.123 376 D CA 0.179 53.788 54.000 -0.650 0.000 1.030 376 D CB -0.757 39.758 40.800 -0.475 0.000 1.093 376 D HN 0.433 nan 8.370 nan 0.000 0.497 377 S N 1.931 117.498 115.700 -0.223 0.000 2.549 377 S HA 0.231 4.262 4.470 -0.732 0.000 0.280 377 S C -0.786 173.799 174.600 -0.025 0.000 1.109 377 S CA -0.962 57.169 58.200 -0.115 0.000 0.905 377 S CB 1.369 64.500 63.200 -0.116 0.000 1.081 377 S HN 0.402 nan 8.310 nan 0.000 0.477 378 W N 3.475 124.686 121.300 -0.148 0.000 2.385 378 W HA 0.099 4.320 4.660 -0.730 0.000 0.336 378 W C -0.941 175.538 176.519 -0.067 0.000 1.351 378 W CA 0.960 58.244 57.345 -0.102 0.000 1.295 378 W CB 0.228 29.620 29.460 -0.112 0.000 1.239 378 W HN 0.662 nan 8.180 nan 0.000 0.565 379 D N 4.283 124.249 120.400 -0.723 0.000 2.620 379 D HA 0.175 4.376 4.640 -0.732 0.000 0.252 379 D C 0.847 176.672 176.300 -0.791 0.000 1.207 379 D CA -0.395 53.295 54.000 -0.518 0.000 0.884 379 D CB 1.741 42.400 40.800 -0.234 0.000 1.262 379 D HN 0.255 nan 8.370 nan 0.000 0.552 380 T N 2.554 116.764 114.554 -0.572 0.000 2.737 380 T HA -0.140 3.770 4.350 -0.732 0.000 0.269 380 T C 1.550 176.023 174.700 -0.380 0.000 1.040 380 T CA 1.262 63.086 62.100 -0.461 0.000 1.142 380 T CB -0.311 68.375 68.868 -0.303 0.000 0.861 380 T HN 0.426 nan 8.240 nan 0.000 0.456 381 F N 1.678 121.475 119.950 -0.254 0.000 2.075 381 F HA 0.022 4.103 4.527 -0.742 0.000 0.297 381 F C 2.762 178.468 175.800 -0.157 0.000 1.113 381 F CA 0.971 58.868 58.000 -0.172 0.000 1.218 381 F CB -1.006 37.910 39.000 -0.140 0.000 0.984 381 F HN 0.108 nan 8.300 nan 0.000 0.472 382 A N 0.099 122.924 122.820 0.009 0.000 1.908 382 A HA -0.138 3.743 4.320 -0.732 0.000 0.218 382 A C 2.379 179.907 177.584 -0.093 0.000 1.181 382 A CA 1.963 53.980 52.037 -0.033 0.000 0.627 382 A CB -1.384 17.581 19.000 -0.058 0.000 0.818 382 A HN 0.341 nan 8.150 nan 0.000 0.445 383 A N -0.666 121.988 122.820 -0.277 0.000 1.902 383 A HA -0.060 3.821 4.320 -0.732 0.000 0.217 383 A C 2.444 179.983 177.584 -0.075 0.000 1.181 383 A CA 2.068 53.953 52.037 -0.253 0.000 0.623 383 A CB -0.817 17.811 19.000 -0.620 0.000 0.818 383 A HN 0.463 nan 8.150 nan 0.000 0.443 384 S N -0.073 115.574 115.700 -0.088 0.000 2.368 384 S HA -0.077 3.954 4.470 -0.732 0.000 0.224 384 S C 1.829 176.463 174.600 0.057 0.000 1.029 384 S CA 1.392 59.578 58.200 -0.023 0.000 0.988 384 S CB -0.463 62.684 63.200 -0.088 0.000 0.838 384 S HN 0.506 nan 8.310 nan 0.000 0.462 385 L N 1.223 122.488 121.223 0.070 0.000 2.017 385 L HA -0.163 3.738 4.340 -0.732 0.000 0.208 385 L C 2.823 179.836 176.870 0.239 0.000 1.073 385 L CA 1.291 56.227 54.840 0.160 0.000 0.745 385 L CB -0.737 41.377 42.059 0.092 0.000 0.894 385 L HN 0.326 nan 8.230 nan 0.000 0.432 386 A N 0.029 122.935 122.820 0.144 0.000 1.902 386 A HA -0.188 3.692 4.320 -0.732 0.000 0.217 386 A C 2.520 180.158 177.584 0.091 0.000 1.181 386 A CA 1.769 53.881 52.037 0.125 0.000 0.623 386 A CB -0.773 18.293 19.000 0.111 0.000 0.818 386 A HN 0.410 nan 8.150 nan 0.000 0.443 387 A N -0.502 122.370 122.820 0.087 0.000 2.019 387 A HA 0.206 4.086 4.320 -0.732 0.000 0.219 387 A C 2.192 179.812 177.584 0.059 0.000 1.164 387 A CA 1.834 53.913 52.037 0.071 0.000 0.644 387 A CB -0.654 18.390 19.000 0.074 0.000 0.805 387 A HN 1.123 nan 8.150 nan 0.000 0.449 388 A N -1.917 120.966 122.820 0.105 0.000 2.275 388 A HA 0.448 4.329 4.320 -0.732 0.000 0.212 388 A C 1.495 179.027 177.584 -0.088 0.000 1.201 388 A CA 1.014 53.111 52.037 0.100 0.000 0.843 388 A CB -0.741 18.424 19.000 0.276 0.000 0.873 388 A HN 1.868 nan 8.150 nan 0.000 0.492 389 G N -1.501 107.223 108.800 -0.127 0.000 2.164 389 G HA2 -0.181 3.339 3.960 -0.732 0.000 0.212 389 G HA3 -0.181 3.339 3.960 -0.732 0.000 0.212 389 G C -0.316 174.233 174.900 -0.585 0.000 1.031 389 G CA -0.123 44.769 45.100 -0.348 0.000 0.730 389 G HN 0.338 nan 8.290 nan 0.000 0.501 390 F N 1.218 121.105 119.950 -0.105 0.000 2.507 390 F HA 0.565 4.654 4.527 -0.730 0.000 0.325 390 F C 0.780 176.541 175.800 -0.065 0.000 1.116 390 F CA -1.203 56.744 58.000 -0.089 0.000 0.930 390 F CB 1.263 40.265 39.000 0.004 0.000 1.146 390 F HN 0.061 nan 8.300 nan 0.000 0.447 391 H N 1.859 121.090 119.070 0.270 0.000 2.690 391 H HA 0.446 4.563 4.556 -0.732 0.000 0.365 391 H C -0.459 175.014 175.328 0.240 0.000 1.142 391 H CA -0.164 56.013 56.048 0.216 0.000 1.417 391 H CB 1.395 31.266 29.762 0.182 0.000 1.446 391 H HN 0.277 nan 8.280 nan 0.000 0.599 392 V N 3.125 123.237 119.914 0.330 0.000 2.487 392 V HA 0.231 3.911 4.120 -0.732 0.000 0.298 392 V C -0.074 176.161 176.094 0.235 0.000 1.028 392 V CA -0.783 61.663 62.300 0.244 0.000 0.860 392 V CB 2.009 33.936 31.823 0.173 0.000 0.991 392 V HN 0.432 nan 8.190 nan 0.000 0.427 393 V N 5.948 125.999 119.914 0.228 0.000 2.409 393 V HA 0.536 4.217 4.120 -0.732 0.000 0.291 393 V C -0.247 175.948 176.094 0.168 0.000 1.020 393 V CA -0.382 62.047 62.300 0.216 0.000 0.848 393 V CB 1.699 33.697 31.823 0.291 0.000 0.990 393 V HN 0.906 nan 8.190 nan 0.000 0.430 394 M N 7.991 127.674 119.600 0.139 0.000 1.987 394 M HA 0.369 4.410 4.480 -0.732 0.000 0.298 394 M C -2.854 173.522 176.300 0.126 0.000 0.892 394 M CA -1.394 53.996 55.300 0.149 0.000 0.885 394 M CB 2.198 34.895 32.600 0.162 0.000 1.469 394 M HN 0.346 nan 8.290 nan 0.000 0.389 395 P HA 0.165 nan 4.420 nan 0.000 0.292 395 P C -1.014 176.368 177.300 0.137 0.000 1.287 395 P CA -0.351 62.805 63.100 0.094 0.000 0.800 395 P CB 0.786 32.573 31.700 0.146 0.000 0.945 396 N N 3.479 122.207 118.700 0.046 0.000 3.050 396 N HA 0.043 4.344 4.740 -0.732 0.000 0.289 396 N C 0.245 175.880 175.510 0.209 0.000 1.209 396 N CA -0.083 53.011 53.050 0.074 0.000 1.154 396 N CB -0.455 38.013 38.487 -0.032 0.000 1.444 396 N HN 0.468 nan 8.380 nan 0.000 0.529 397 Y N 0.133 120.572 120.300 0.231 0.000 2.652 397 Y HA 0.005 4.115 4.550 -0.733 0.000 0.344 397 Y C 1.153 177.034 175.900 -0.031 0.000 1.254 397 Y CA -1.257 56.936 58.100 0.155 0.000 1.480 397 Y CB 0.285 38.773 38.460 0.046 0.000 1.345 397 Y HN 0.260 nan 8.280 nan 0.000 0.617 398 R N 1.380 121.705 120.500 -0.293 0.000 2.585 398 R HA 0.364 4.264 4.340 -0.732 0.000 0.275 398 R C 0.773 176.864 176.300 -0.349 0.000 1.018 398 R CA 0.573 55.974 56.100 -1.165 0.000 1.072 398 R CB -0.257 29.263 30.300 -1.300 0.000 0.953 398 R HN 1.385 nan 8.270 nan 0.000 0.419 399 G N 1.786 110.378 108.800 -0.346 0.000 2.278 399 G HA2 -0.256 3.264 3.960 -0.732 0.000 0.210 399 G HA3 -0.256 3.264 3.960 -0.732 0.000 0.210 399 G C -0.128 174.849 174.900 0.127 0.000 1.000 399 G CA 0.027 45.148 45.100 0.035 0.000 0.635 399 G HN 0.665 nan 8.290 nan 0.000 0.495 400 S N 1.767 117.458 115.700 -0.015 0.000 2.568 400 S HA 0.509 4.540 4.470 -0.732 0.000 0.282 400 S C 0.947 175.686 174.600 0.232 0.000 1.338 400 S CA 0.602 58.864 58.200 0.104 0.000 1.045 400 S CB 1.112 64.412 63.200 0.167 0.000 0.873 400 S HN 1.163 nan 8.310 nan 0.000 0.516 401 T N -1.035 113.618 114.554 0.166 0.000 2.824 401 T HA 0.639 4.549 4.350 -0.732 0.000 0.277 401 T C 1.225 176.042 174.700 0.194 0.000 0.975 401 T CA -0.098 62.093 62.100 0.152 0.000 0.966 401 T CB 0.900 69.805 68.868 0.062 0.000 1.054 401 T HN 1.218 nan 8.240 nan 0.000 0.533 402 G N -0.300 108.548 108.800 0.079 0.000 2.194 402 G HA2 -0.224 3.297 3.960 -0.732 0.000 0.236 402 G HA3 -0.224 3.297 3.960 -0.732 0.000 0.236 402 G C 0.114 174.733 174.900 -0.468 0.000 0.987 402 G CA 0.209 45.223 45.100 -0.142 0.000 0.635 402 G HN 0.787 nan 8.290 nan 0.000 0.520 403 Y N 0.822 121.182 120.300 0.100 0.000 2.721 403 Y HA 0.496 4.606 4.550 -0.733 0.000 0.251 403 Y C 1.225 177.184 175.900 0.099 0.000 1.136 403 Y CA 0.233 58.376 58.100 0.071 0.000 1.142 403 Y CB 1.035 39.485 38.460 -0.015 0.000 1.212 403 Y HN 1.235 nan 8.280 nan 0.000 0.565 404 G N 0.579 109.467 108.800 0.147 0.000 2.690 404 G HA2 -0.247 3.273 3.960 -0.732 0.000 0.686 404 G HA3 -0.247 3.273 3.960 -0.732 0.000 0.686 404 G C 0.204 175.195 174.900 0.152 0.000 1.277 404 G CA -0.136 45.036 45.100 0.121 0.000 0.799 404 G HN 0.212 nan 8.290 nan 0.000 0.613 405 E N 0.599 120.847 120.200 0.081 0.000 2.072 405 E HA 0.044 3.955 4.350 -0.732 0.000 0.191 405 E C 2.814 179.464 176.600 0.082 0.000 0.985 405 E CA 2.943 59.372 56.400 0.049 0.000 0.801 405 E CB -0.296 29.405 29.700 0.001 0.000 0.750 405 E HN 1.099 nan 8.360 nan 0.000 0.452 406 E N 0.912 121.178 120.200 0.110 0.000 2.070 406 E HA -0.235 3.675 4.350 -0.732 0.000 0.197 406 E C 1.873 178.599 176.600 0.210 0.000 1.004 406 E CA 1.574 58.052 56.400 0.130 0.000 0.805 406 E CB -1.750 28.026 29.700 0.126 0.000 0.744 406 E HN 0.627 nan 8.360 nan 0.000 0.451 407 W N 0.734 122.071 121.300 0.062 0.000 2.358 407 W HA -0.185 4.035 4.660 -0.733 0.000 0.303 407 W C 2.576 179.156 176.519 0.101 0.000 1.208 407 W CA 1.630 59.026 57.345 0.086 0.000 1.274 407 W CB -0.096 29.437 29.460 0.121 0.000 1.138 407 W HN 0.343 nan 8.180 nan 0.000 0.515 408 R N 0.558 121.147 120.500 0.148 0.000 2.083 408 R HA -0.202 3.698 4.340 -0.732 0.000 0.237 408 R C 2.394 178.702 176.300 0.014 0.000 1.137 408 R CA 1.857 57.989 56.100 0.053 0.000 0.951 408 R CB -0.794 29.526 30.300 0.034 0.000 0.851 408 R HN 0.255 nan 8.270 nan 0.000 0.434 409 L N 0.547 121.767 121.223 -0.005 0.000 2.376 409 L HA -0.096 3.805 4.340 -0.732 0.000 0.219 409 L C 2.213 179.074 176.870 -0.016 0.000 1.133 409 L CA 1.003 55.832 54.840 -0.018 0.000 0.816 409 L CB -0.167 41.879 42.059 -0.022 0.000 0.933 409 L HN 0.157 nan 8.230 nan 0.000 0.449 410 K N 0.197 120.568 120.400 -0.049 0.000 2.211 410 K HA -0.194 3.687 4.320 -0.732 0.000 0.204 410 K C 2.037 178.601 176.600 -0.060 0.000 1.047 410 K CA 1.259 57.504 56.287 -0.070 0.000 0.935 410 K CB -0.139 32.268 32.500 -0.155 0.000 0.728 410 K HN 0.300 nan 8.250 nan 0.000 0.452 411 I N 1.206 121.745 120.570 -0.050 0.000 2.493 411 I HA -0.131 3.600 4.170 -0.732 0.000 0.254 411 I C 0.102 176.203 176.117 -0.027 0.000 1.160 411 I CA 0.345 61.635 61.300 -0.017 0.000 1.445 411 I CB 0.273 38.279 38.000 0.010 0.000 1.086 411 I HN -0.003 nan 8.210 nan 0.000 0.433 412 I N 2.263 122.822 120.570 -0.018 0.000 2.662 412 I HA 0.043 3.773 4.170 -0.732 0.000 0.285 412 I C 1.473 177.543 176.117 -0.078 0.000 1.161 412 I CA 1.195 62.459 61.300 -0.060 0.000 1.415 412 I CB -0.537 37.438 38.000 -0.041 0.000 1.385 412 I HN 0.494 nan 8.210 nan 0.000 0.552 413 G N 5.595 114.321 108.800 -0.124 0.000 2.194 413 G HA2 -0.232 3.288 3.960 -0.732 0.000 0.236 413 G HA3 -0.232 3.288 3.960 -0.732 0.000 0.236 413 G C 0.279 175.131 174.900 -0.080 0.000 0.987 413 G CA 0.237 45.276 45.100 -0.103 0.000 0.635 413 G HN 0.576 nan 8.290 nan 0.000 0.520 414 D N 0.800 121.160 120.400 -0.067 0.000 2.992 414 D HA 0.333 4.534 4.640 -0.732 0.000 0.372 414 D C -2.246 174.068 176.300 0.023 0.000 1.374 414 D CA -1.127 52.863 54.000 -0.017 0.000 0.769 414 D CB 1.096 41.900 40.800 0.006 0.000 1.215 414 D HN 0.301 nan 8.370 nan 0.000 0.473 415 P HA 0.074 nan 4.420 nan 0.000 0.271 415 P C 0.353 177.803 177.300 0.249 0.000 1.218 415 P CA -0.114 63.101 63.100 0.191 0.000 0.780 415 P CB 1.245 32.995 31.700 0.083 0.000 0.901 416 C N 2.153 121.622 119.300 0.283 0.000 4.056 416 C HA -0.086 3.934 4.460 -0.732 0.000 0.302 416 C C 1.196 176.202 174.990 0.027 0.000 1.356 416 C CA 1.032 60.100 59.018 0.084 0.000 2.074 416 C CB -2.263 25.526 27.740 0.081 0.000 1.328 416 C HN 0.874 nan 8.230 nan 0.000 0.684 417 G N 0.005 108.821 108.800 0.028 0.000 3.341 417 G HA2 0.516 4.036 3.960 -0.732 0.000 0.186 417 G HA3 0.516 4.036 3.960 -0.732 0.000 0.186 417 G C 1.133 176.025 174.900 -0.014 0.000 1.430 417 G CA 0.671 45.763 45.100 -0.013 0.000 0.961 417 G HN 1.091 nan 8.290 nan 0.000 0.767 418 G N 0.878 109.714 108.800 0.059 0.000 2.442 418 G HA2 -0.143 3.377 3.960 -0.732 0.000 0.219 418 G HA3 -0.143 3.377 3.960 -0.732 0.000 0.219 418 G C 1.535 176.558 174.900 0.205 0.000 1.141 418 G CA 1.903 47.134 45.100 0.218 0.000 0.763 418 G HN 0.589 nan 8.290 nan 0.000 0.554 419 E N 0.779 121.043 120.200 0.106 0.000 2.107 419 E HA -0.092 3.819 4.350 -0.732 0.000 0.191 419 E C 2.421 179.038 176.600 0.029 0.000 0.982 419 E CA 0.903 57.356 56.400 0.089 0.000 0.809 419 E CB -0.755 28.989 29.700 0.072 0.000 0.756 419 E HN 0.360 nan 8.360 nan 0.000 0.459 420 L N 1.563 122.781 121.223 -0.009 0.000 2.131 420 L HA -0.105 3.795 4.340 -0.732 0.000 0.210 420 L C 2.195 179.082 176.870 0.029 0.000 1.092 420 L CA 1.701 56.520 54.840 -0.035 0.000 0.759 420 L CB -0.334 41.678 42.059 -0.078 0.000 0.903 420 L HN -0.060 nan 8.230 nan 0.000 0.435 421 E N -0.030 120.202 120.200 0.054 0.000 2.077 421 E HA -0.194 3.716 4.350 -0.732 0.000 0.193 421 E C 1.858 178.594 176.600 0.227 0.000 0.989 421 E CA 1.312 57.774 56.400 0.103 0.000 0.800 421 E CB -0.342 29.372 29.700 0.022 0.000 0.746 421 E HN 0.585 nan 8.360 nan 0.000 0.452 422 D N 0.453 121.014 120.400 0.269 0.000 2.097 422 D HA -0.116 4.084 4.640 -0.732 0.000 0.195 422 D C 2.163 178.596 176.300 0.221 0.000 0.989 422 D CA 0.753 54.917 54.000 0.274 0.000 0.827 422 D CB -0.306 40.690 40.800 0.326 0.000 0.966 422 D HN 0.012 nan 8.370 nan 0.000 0.456 423 V N 0.976 120.999 119.914 0.182 0.000 2.343 423 V HA -0.218 3.462 4.120 -0.732 0.000 0.247 423 V C 2.487 178.708 176.094 0.212 0.000 1.051 423 V CA 1.743 64.151 62.300 0.180 0.000 1.036 423 V CB -0.491 31.392 31.823 0.101 0.000 0.654 423 V HN 0.143 nan 8.190 nan 0.000 0.451 424 S N 0.205 116.002 115.700 0.162 0.000 2.383 424 S HA -0.135 3.896 4.470 -0.732 0.000 0.227 424 S C 2.232 176.894 174.600 0.103 0.000 1.026 424 S CA 1.267 59.528 58.200 0.102 0.000 0.981 424 S CB -0.485 62.740 63.200 0.042 0.000 0.818 424 S HN 0.650 nan 8.310 nan 0.000 0.472 425 A N 1.727 124.637 122.820 0.150 0.000 1.908 425 A HA 0.025 3.905 4.320 -0.732 0.000 0.218 425 A C 2.355 180.062 177.584 0.205 0.000 1.181 425 A CA 1.786 53.927 52.037 0.173 0.000 0.627 425 A CB -1.072 18.045 19.000 0.195 0.000 0.818 425 A HN 0.530 nan 8.150 nan 0.000 0.445 426 A N -0.427 122.515 122.820 0.203 0.000 1.969 426 A HA 0.227 4.107 4.320 -0.732 0.000 0.218 426 A C 2.452 180.234 177.584 0.330 0.000 1.169 426 A CA 1.878 54.060 52.037 0.240 0.000 0.635 426 A CB -0.833 18.277 19.000 0.183 0.000 0.810 426 A HN 0.998 nan 8.150 nan 0.000 0.445 427 A N 0.976 123.944 122.820 0.245 0.000 1.898 427 A HA -0.141 3.740 4.320 -0.732 0.000 0.216 427 A C 2.237 179.876 177.584 0.091 0.000 1.181 427 A CA 1.539 53.678 52.037 0.169 0.000 0.620 427 A CB -0.506 18.474 19.000 -0.033 0.000 0.819 427 A HN 0.704 nan 8.150 nan 0.000 0.442 428 R N -1.868 118.679 120.500 0.077 0.000 2.075 428 R HA -0.188 3.712 4.340 -0.732 0.000 0.232 428 R C 2.098 178.456 176.300 0.096 0.000 1.126 428 R CA 1.556 57.685 56.100 0.049 0.000 0.963 428 R CB -0.883 29.444 30.300 0.046 0.000 0.858 428 R HN 0.611 nan 8.270 nan 0.000 0.435 429 W N 2.192 123.506 121.300 0.022 0.000 2.335 429 W HA -0.174 4.045 4.660 -0.734 0.000 0.311 429 W C 2.377 178.911 176.519 0.025 0.000 1.213 429 W CA 2.437 59.798 57.345 0.026 0.000 1.274 429 W CB -0.320 29.160 29.460 0.034 0.000 1.148 429 W HN 0.240 nan 8.180 nan 0.000 0.498 430 A N 1.005 123.890 122.820 0.107 0.000 1.908 430 A HA -0.208 3.673 4.320 -0.732 0.000 0.218 430 A C 2.112 179.530 177.584 -0.277 0.000 1.181 430 A CA 3.482 55.406 52.037 -0.188 0.000 0.627 430 A CB -1.605 17.500 19.000 0.175 0.000 0.818 430 A HN 0.411 nan 8.150 nan 0.000 0.445 431 R N -0.131 120.287 120.500 -0.137 0.000 2.088 431 R HA -0.177 3.724 4.340 -0.732 0.000 0.232 431 R C 2.055 178.234 176.300 -0.202 0.000 1.136 431 R CA 2.323 58.343 56.100 -0.133 0.000 0.926 431 R CB -1.358 28.891 30.300 -0.085 0.000 0.837 431 R HN 0.633 nan 8.270 nan 0.000 0.429 432 E N 1.077 121.149 120.200 -0.213 0.000 2.204 432 E HA -0.110 3.800 4.350 -0.732 0.000 0.195 432 E C 2.052 178.480 176.600 -0.285 0.000 0.990 432 E CA 1.710 57.996 56.400 -0.189 0.000 0.821 432 E CB -0.086 29.557 29.700 -0.096 0.000 0.750 432 E HN 0.711 nan 8.360 nan 0.000 0.477 433 S N -1.875 113.496 115.700 -0.548 0.000 2.558 433 S HA 0.228 4.258 4.470 -0.732 0.000 0.217 433 S C 1.684 176.073 174.600 -0.353 0.000 0.975 433 S CA 0.337 58.209 58.200 -0.548 0.000 0.912 433 S CB 0.278 62.857 63.200 -1.035 0.000 0.776 433 S HN 0.458 nan 8.310 nan 0.000 0.526 434 G N 0.845 109.469 108.800 -0.293 0.000 2.175 434 G HA2 -0.259 3.261 3.960 -0.732 0.000 0.244 434 G HA3 -0.259 3.261 3.960 -0.732 0.000 0.244 434 G C 0.461 175.255 174.900 -0.177 0.000 0.982 434 G CA 0.307 45.297 45.100 -0.182 0.000 0.641 434 G HN 0.506 nan 8.290 nan 0.000 0.527 435 L N 0.956 122.016 121.223 -0.272 0.000 2.027 435 L HA 0.662 4.562 4.340 -0.732 0.000 0.206 435 L C 1.782 178.625 176.870 -0.045 0.000 1.074 435 L CA 2.619 57.334 54.840 -0.209 0.000 0.745 435 L CB -0.252 41.639 42.059 -0.279 0.000 0.898 435 L HN 0.878 nan 8.230 nan 0.000 0.433 436 A N -1.660 121.134 122.820 -0.045 0.000 2.288 436 A HA 0.505 4.386 4.320 -0.732 0.000 0.320 436 A C 0.978 178.574 177.584 0.021 0.000 1.217 436 A CA 0.119 52.188 52.037 0.053 0.000 0.840 436 A CB 0.799 19.840 19.000 0.067 0.000 1.179 436 A HN 0.419 nan 8.150 nan 0.000 0.504 437 S N 1.521 117.252 115.700 0.051 0.000 2.421 437 S HA 0.096 4.126 4.470 -0.732 0.000 0.224 437 S C 0.461 175.063 174.600 0.003 0.000 1.035 437 S CA 0.726 58.938 58.200 0.020 0.000 0.953 437 S CB -0.267 62.950 63.200 0.029 0.000 0.810 437 S HN 0.861 nan 8.310 nan 0.000 0.497 438 E N 0.065 120.278 120.200 0.020 0.000 2.383 438 E HA 0.663 4.573 4.350 -0.732 0.000 0.275 438 E C -1.743 174.812 176.600 -0.075 0.000 0.918 438 E CA -1.073 55.290 56.400 -0.060 0.000 0.764 438 E CB 1.447 31.097 29.700 -0.084 0.000 1.252 438 E HN 0.196 nan 8.360 nan 0.000 0.449 439 L N 2.144 123.247 121.223 -0.199 0.000 2.362 439 L HA 0.538 4.439 4.340 -0.732 0.000 0.275 439 L C -1.355 175.452 176.870 -0.104 0.000 0.998 439 L CA -0.822 54.011 54.840 -0.010 0.000 0.820 439 L CB 1.149 43.250 42.059 0.070 0.000 1.270 439 L HN 0.594 nan 8.230 nan 0.000 0.415 440 Y N 2.855 123.361 120.300 0.343 0.000 2.562 440 Y HA 0.633 4.745 4.550 -0.730 0.000 0.343 440 Y C -0.316 175.505 175.900 -0.131 0.000 1.025 440 Y CA -0.764 57.432 58.100 0.161 0.000 1.082 440 Y CB 2.347 40.826 38.460 0.031 0.000 1.264 440 Y HN 0.361 nan 8.280 nan 0.000 0.478 441 I N 3.292 123.642 120.570 -0.367 0.000 2.509 441 I HA 0.618 4.349 4.170 -0.732 0.000 0.293 441 I C -1.320 174.634 176.117 -0.271 0.000 1.020 441 I CA -0.907 60.010 61.300 -0.639 0.000 1.088 441 I CB 1.406 38.582 38.000 -1.373 0.000 1.267 441 I HN 0.803 nan 8.210 nan 0.000 0.430 442 M N 6.893 126.374 119.600 -0.199 0.000 2.322 442 M HA 0.712 4.752 4.480 -0.732 0.000 0.286 442 M C -1.440 174.785 176.300 -0.126 0.000 1.111 442 M CA -0.216 55.000 55.300 -0.141 0.000 0.941 442 M CB 2.035 34.594 32.600 -0.069 0.000 1.671 442 M HN 0.716 nan 8.290 nan 0.000 0.470 443 G N 2.557 111.247 108.800 -0.184 0.000 2.576 443 G HA2 0.611 4.132 3.960 -0.732 0.000 0.290 443 G HA3 0.611 4.132 3.960 -0.732 0.000 0.290 443 G C -2.638 172.110 174.900 -0.252 0.000 1.442 443 G CA -0.489 44.543 45.100 -0.113 0.000 0.792 443 G HN 0.664 nan 8.290 nan 0.000 0.491 444 Y N 0.239 120.454 120.300 -0.140 0.000 2.524 444 Y HA 0.642 4.750 4.550 -0.737 0.000 0.344 444 Y C 1.086 176.952 175.900 -0.057 0.000 1.012 444 Y CA 0.527 58.553 58.100 -0.124 0.000 1.068 444 Y CB 2.419 40.755 38.460 -0.207 0.000 1.249 444 Y HN 1.367 nan 8.280 nan 0.000 0.468 445 S N 1.096 116.834 115.700 0.063 0.000 3.973 445 S HA -0.431 3.599 4.470 -0.732 0.000 0.627 445 S C 0.912 175.582 174.600 0.118 0.000 2.126 445 S CA 1.481 59.719 58.200 0.064 0.000 4.069 445 S CB -1.499 61.737 63.200 0.060 0.000 0.220 445 S HN 0.872 nan 8.310 nan 0.000 0.739 446 Y N 2.356 122.708 120.300 0.086 0.000 2.315 446 Y HA 0.085 4.197 4.550 -0.730 0.000 0.288 446 Y C 2.459 178.435 175.900 0.127 0.000 1.154 446 Y CA 2.585 60.781 58.100 0.161 0.000 1.229 446 Y CB -0.985 37.584 38.460 0.182 0.000 0.980 446 Y HN 0.643 nan 8.280 nan 0.000 0.540 447 G N -1.097 107.804 108.800 0.169 0.000 2.422 447 G HA2 -0.189 3.331 3.960 -0.732 0.000 0.218 447 G HA3 -0.189 3.331 3.960 -0.732 0.000 0.218 447 G C 1.879 176.724 174.900 -0.093 0.000 1.140 447 G CA 0.682 45.800 45.100 0.030 0.000 0.775 447 G HN 0.549 nan 8.290 nan 0.000 0.545 448 G N -0.088 108.660 108.800 -0.087 0.000 2.394 448 G HA2 -0.202 3.319 3.960 -0.732 0.000 0.215 448 G HA3 -0.202 3.319 3.960 -0.732 0.000 0.215 448 G C 1.591 176.403 174.900 -0.148 0.000 1.165 448 G CA 0.979 45.988 45.100 -0.153 0.000 0.784 448 G HN 0.409 nan 8.290 nan 0.000 0.535 449 Y N 0.963 121.094 120.300 -0.283 0.000 2.165 449 Y HA -0.142 3.967 4.550 -0.735 0.000 0.286 449 Y C 2.708 178.397 175.900 -0.351 0.000 1.155 449 Y CA 1.744 59.621 58.100 -0.372 0.000 1.164 449 Y CB -0.073 38.061 38.460 -0.543 0.000 0.978 449 Y HN 0.075 nan 8.280 nan 0.000 0.513 450 M N -0.463 118.861 119.600 -0.461 0.000 2.159 450 M HA -0.192 3.848 4.480 -0.732 0.000 0.263 450 M C 2.015 178.107 176.300 -0.346 0.000 1.063 450 M CA 1.881 56.903 55.300 -0.462 0.000 1.110 450 M CB -1.322 31.073 32.600 -0.341 0.000 1.374 450 M HN 0.287 nan 8.290 nan 0.000 0.411 451 T N 1.629 116.010 114.554 -0.289 0.000 2.684 451 T HA -0.139 3.772 4.350 -0.732 0.000 0.267 451 T C 1.988 176.553 174.700 -0.225 0.000 1.036 451 T CA 1.241 63.187 62.100 -0.257 0.000 1.148 451 T CB -0.327 68.400 68.868 -0.234 0.000 0.863 451 T HN 0.330 nan 8.240 nan 0.000 0.436 452 L N 0.181 121.252 121.223 -0.253 0.000 2.056 452 L HA -0.088 3.812 4.340 -0.732 0.000 0.207 452 L C 2.937 179.664 176.870 -0.238 0.000 1.078 452 L CA 0.852 55.560 54.840 -0.219 0.000 0.749 452 L CB -0.713 41.215 42.059 -0.218 0.000 0.901 452 L HN 0.384 nan 8.230 nan 0.000 0.433 453 C N -0.128 118.946 119.300 -0.377 0.000 2.429 453 C HA -0.139 3.882 4.460 -0.732 0.000 0.277 453 C C 3.160 178.029 174.990 -0.203 0.000 1.262 453 C CA 0.796 59.599 59.018 -0.359 0.000 1.733 453 C CB -0.932 26.467 27.740 -0.568 0.000 2.010 453 C HN 0.616 nan 8.230 nan 0.000 0.483 454 A N 0.091 122.822 122.820 -0.148 0.000 1.873 454 A HA -0.075 3.805 4.320 -0.732 0.000 0.215 454 A C 2.098 179.705 177.584 0.037 0.000 1.186 454 A CA 1.362 53.403 52.037 0.007 0.000 0.616 454 A CB -0.600 18.475 19.000 0.126 0.000 0.823 454 A HN 0.602 nan 8.150 nan 0.000 0.442 455 L N -0.038 121.185 121.223 0.001 0.000 2.217 455 L HA -0.123 3.778 4.340 -0.732 0.000 0.211 455 L C 2.885 179.750 176.870 -0.008 0.000 1.107 455 L CA 1.684 56.539 54.840 0.025 0.000 0.783 455 L CB -0.625 41.442 42.059 0.014 0.000 0.919 455 L HN 0.704 nan 8.230 nan 0.000 0.442 456 T N -3.876 110.649 114.554 -0.049 0.000 2.901 456 T HA -0.038 3.873 4.350 -0.732 0.000 0.252 456 T C 1.758 176.402 174.700 -0.094 0.000 1.035 456 T CA 0.393 62.462 62.100 -0.053 0.000 1.142 456 T CB 0.014 68.857 68.868 -0.041 0.000 0.869 456 T HN -0.004 nan 8.240 nan 0.000 0.442 457 M N 0.722 120.245 119.600 -0.128 0.000 2.501 457 M HA 0.307 4.348 4.480 -0.732 0.000 0.261 457 M C 0.441 176.684 176.300 -0.096 0.000 1.129 457 M CA 0.779 55.988 55.300 -0.152 0.000 1.126 457 M CB -0.317 32.173 32.600 -0.183 0.000 1.359 457 M HN 0.157 nan 8.290 nan 0.000 0.471 458 K N 0.992 121.358 120.400 -0.057 0.000 3.206 458 K HA 0.358 4.238 4.320 -0.732 0.000 0.180 458 K C -2.631 173.955 176.600 -0.024 0.000 1.088 458 K CA -1.408 54.853 56.287 -0.045 0.000 0.872 458 K CB 0.742 33.219 32.500 -0.038 0.000 0.976 458 K HN 0.058 nan 8.250 nan 0.000 0.564 459 P HA 0.022 nan 4.420 nan 0.000 0.268 459 P C 0.923 178.209 177.300 -0.022 0.000 1.204 459 P CA 0.939 64.037 63.100 -0.004 0.000 0.768 459 P CB 0.782 32.479 31.700 -0.006 0.000 0.842 460 G N 1.748 110.540 108.800 -0.014 0.000 2.217 460 G HA2 -0.314 3.207 3.960 -0.732 0.000 0.246 460 G HA3 -0.314 3.207 3.960 -0.732 0.000 0.246 460 G C 0.593 175.435 174.900 -0.097 0.000 0.990 460 G CA 0.287 45.362 45.100 -0.041 0.000 0.627 460 G HN 0.546 nan 8.290 nan 0.000 0.522 461 L N 0.055 121.189 121.223 -0.148 0.000 2.023 461 L HA 0.514 4.415 4.340 -0.732 0.000 0.205 461 L C 1.123 177.693 176.870 -0.500 0.000 1.073 461 L CA 1.479 56.102 54.840 -0.362 0.000 0.745 461 L CB -0.348 41.414 42.059 -0.496 0.000 0.900 461 L HN 0.242 nan 8.230 nan 0.000 0.435 462 F N -0.927 118.999 119.950 -0.040 0.000 2.470 462 F HA 0.291 4.381 4.527 -0.728 0.000 0.329 462 F C 1.493 177.245 175.800 -0.080 0.000 1.072 462 F CA -0.514 57.448 58.000 -0.063 0.000 0.989 462 F CB 1.086 40.078 39.000 -0.013 0.000 1.193 462 F HN -0.230 nan 8.300 nan 0.000 0.481 463 K N 1.138 121.549 120.400 0.017 0.000 2.167 463 K HA 0.388 4.269 4.320 -0.732 0.000 0.203 463 K C -0.034 176.647 176.600 0.135 0.000 1.052 463 K CA 0.926 57.188 56.287 -0.042 0.000 0.956 463 K CB 0.233 32.547 32.500 -0.309 0.000 0.735 463 K HN 0.734 nan 8.250 nan 0.000 0.451 464 A N -0.685 122.298 122.820 0.272 0.000 2.586 464 A HA 0.637 4.517 4.320 -0.732 0.000 0.290 464 A C -1.106 176.687 177.584 0.348 0.000 1.086 464 A CA -0.454 51.803 52.037 0.366 0.000 0.665 464 A CB 1.452 20.689 19.000 0.394 0.000 1.279 464 A HN 0.205 nan 8.150 nan 0.000 0.423 465 G N -0.791 108.196 108.800 0.312 0.000 2.667 465 G HA2 0.626 4.147 3.960 -0.732 0.000 0.298 465 G HA3 0.626 4.147 3.960 -0.732 0.000 0.298 465 G C -1.662 173.267 174.900 0.049 0.000 1.377 465 G CA -0.470 44.691 45.100 0.101 0.000 0.964 465 G HN 1.187 nan 8.290 nan 0.000 0.493 466 V N 0.731 120.606 119.914 -0.065 0.000 2.448 466 V HA 0.742 4.423 4.120 -0.732 0.000 0.295 466 V C 0.209 176.151 176.094 -0.253 0.000 1.025 466 V CA -0.709 61.479 62.300 -0.187 0.000 0.859 466 V CB 1.438 33.180 31.823 -0.135 0.000 0.988 466 V HN 1.165 nan 8.190 nan 0.000 0.431 467 A N 3.720 126.379 122.820 -0.268 0.000 2.323 467 A HA 0.818 4.699 4.320 -0.732 0.000 0.305 467 A C 0.220 177.635 177.584 -0.282 0.000 1.275 467 A CA -0.181 51.699 52.037 -0.262 0.000 0.804 467 A CB 0.893 19.778 19.000 -0.191 0.000 1.152 467 A HN 1.018 nan 8.150 nan 0.000 0.487 468 G N 0.968 109.493 108.800 -0.459 0.000 2.379 468 G HA2 0.643 4.164 3.960 -0.732 0.000 0.327 468 G HA3 0.643 4.164 3.960 -0.732 0.000 0.327 468 G C 0.673 175.491 174.900 -0.136 0.000 1.145 468 G CA 0.104 44.961 45.100 -0.406 0.000 0.905 468 G HN 2.284 nan 8.290 nan 0.000 0.466 469 A N 1.045 123.839 122.820 -0.044 0.000 2.640 469 A HA -0.048 3.833 4.320 -0.732 0.000 0.300 469 A C 1.231 178.804 177.584 -0.019 0.000 1.499 469 A CA 0.998 52.930 52.037 -0.175 0.000 0.759 469 A CB -2.125 16.802 19.000 -0.123 0.000 1.048 469 A HN 2.254 nan 8.150 nan 0.000 0.450 470 S N -1.392 114.378 115.700 0.117 0.000 2.632 470 S HA 0.680 4.710 4.470 -0.732 0.000 0.267 470 S C 0.181 174.798 174.600 0.028 0.000 1.276 470 S CA -0.250 57.971 58.200 0.034 0.000 0.998 470 S CB 1.820 65.000 63.200 -0.034 0.000 0.953 470 S HN 1.225 nan 8.310 nan 0.000 0.547 471 V N 1.935 121.790 119.914 -0.098 0.000 2.472 471 V HA 0.328 4.009 4.120 -0.732 0.000 0.290 471 V C 0.581 176.522 176.094 -0.254 0.000 1.037 471 V CA -0.498 61.635 62.300 -0.278 0.000 0.908 471 V CB 1.513 32.908 31.823 -0.713 0.000 0.985 471 V HN 0.893 nan 8.190 nan 0.000 0.454 472 V N 2.020 121.781 119.914 -0.256 0.000 3.455 472 V HA 0.286 3.967 4.120 -0.732 0.000 0.250 472 V C -0.033 175.937 176.094 -0.206 0.000 1.230 472 V CA 0.720 62.904 62.300 -0.193 0.000 1.105 472 V CB 0.625 32.345 31.823 -0.172 0.000 0.850 472 V HN 0.962 nan 8.190 nan 0.000 0.461 473 D N -1.979 118.259 120.400 -0.270 0.000 2.452 473 D HA 0.105 4.306 4.640 -0.732 0.000 0.226 473 D C 0.013 176.232 176.300 -0.136 0.000 1.366 473 D CA -0.526 53.376 54.000 -0.163 0.000 0.986 473 D CB 0.469 41.225 40.800 -0.074 0.000 1.420 473 D HN 0.101 nan 8.370 nan 0.000 0.583 474 W N 2.267 123.587 121.300 0.034 0.000 2.363 474 W HA -0.022 4.203 4.660 -0.725 0.000 0.296 474 W C 2.155 178.719 176.519 0.075 0.000 1.212 474 W CA 0.438 57.796 57.345 0.022 0.000 1.260 474 W CB 0.241 29.692 29.460 -0.015 0.000 1.131 474 W HN 0.501 nan 8.180 nan 0.000 0.530 475 E N 0.527 120.893 120.200 0.276 0.000 2.047 475 E HA -0.254 3.656 4.350 -0.732 0.000 0.191 475 E C 2.021 178.702 176.600 0.135 0.000 0.987 475 E CA 1.320 57.833 56.400 0.188 0.000 0.799 475 E CB -0.184 29.576 29.700 0.100 0.000 0.752 475 E HN 0.330 nan 8.360 nan 0.000 0.449 476 E N -0.103 120.154 120.200 0.095 0.000 2.085 476 E HA -0.229 3.681 4.350 -0.732 0.000 0.194 476 E C 2.039 178.717 176.600 0.130 0.000 0.994 476 E CA 0.964 57.408 56.400 0.074 0.000 0.801 476 E CB 0.060 29.780 29.700 0.034 0.000 0.743 476 E HN 0.136 nan 8.360 nan 0.000 0.453 477 M N 0.115 119.820 119.600 0.175 0.000 2.117 477 M HA -0.163 3.877 4.480 -0.732 0.000 0.262 477 M C 2.046 178.546 176.300 0.333 0.000 1.065 477 M CA 1.319 56.769 55.300 0.249 0.000 1.114 477 M CB -1.082 31.686 32.600 0.281 0.000 1.361 477 M HN 0.274 nan 8.290 nan 0.000 0.408 478 Y N 1.587 121.979 120.300 0.152 0.000 2.207 478 Y HA -0.201 3.909 4.550 -0.734 0.000 0.287 478 Y C 1.927 177.883 175.900 0.093 0.000 1.156 478 Y CA 1.708 59.870 58.100 0.103 0.000 1.182 478 Y CB -0.443 38.057 38.460 0.067 0.000 0.979 478 Y HN 0.386 nan 8.280 nan 0.000 0.521 479 E N -0.372 119.968 120.200 0.234 0.000 2.170 479 E HA -0.063 3.847 4.350 -0.732 0.000 0.191 479 E C 2.248 178.925 176.600 0.128 0.000 0.981 479 E CA 0.701 57.152 56.400 0.085 0.000 0.830 479 E CB -0.139 29.552 29.700 -0.015 0.000 0.775 479 E HN 0.462 nan 8.360 nan 0.000 0.470 480 L N 1.024 122.340 121.223 0.155 0.000 2.395 480 L HA 0.023 3.923 4.340 -0.732 0.000 0.218 480 L C 1.111 178.082 176.870 0.169 0.000 1.130 480 L CA 0.136 55.058 54.840 0.136 0.000 0.826 480 L CB 0.091 42.224 42.059 0.123 0.000 0.941 480 L HN -0.107 nan 8.230 nan 0.000 0.451 481 S N -0.418 115.426 115.700 0.240 0.000 2.672 481 S HA 0.131 4.161 4.470 -0.732 0.000 0.276 481 S C -0.233 174.498 174.600 0.219 0.000 1.207 481 S CA -0.892 57.475 58.200 0.278 0.000 1.002 481 S CB 1.100 64.575 63.200 0.460 0.000 0.998 481 S HN 0.256 nan 8.310 nan 0.000 0.542 482 D N 0.249 120.770 120.400 0.202 0.000 2.377 482 D HA 0.220 4.421 4.640 -0.732 0.000 0.245 482 D C 0.970 177.372 176.300 0.170 0.000 1.196 482 D CA -0.382 53.713 54.000 0.157 0.000 0.962 482 D CB 0.945 41.818 40.800 0.122 0.000 1.127 482 D HN 0.424 nan 8.370 nan 0.000 0.471 483 A N 0.714 123.612 122.820 0.129 0.000 2.015 483 A HA 0.050 3.931 4.320 -0.732 0.000 0.219 483 A C 2.162 179.810 177.584 0.106 0.000 1.163 483 A CA 1.903 54.005 52.037 0.109 0.000 0.646 483 A CB -0.831 18.221 19.000 0.086 0.000 0.806 483 A HN 0.703 nan 8.150 nan 0.000 0.448 484 A N -1.086 121.813 122.820 0.131 0.000 1.855 484 A HA -0.022 3.858 4.320 -0.732 0.000 0.215 484 A C 2.091 179.795 177.584 0.200 0.000 1.191 484 A CA 1.419 53.542 52.037 0.143 0.000 0.613 484 A CB -0.752 18.331 19.000 0.138 0.000 0.829 484 A HN 0.601 nan 8.150 nan 0.000 0.442 485 F N 0.211 120.214 119.950 0.088 0.000 2.186 485 F HA -0.148 3.940 4.527 -0.732 0.000 0.299 485 F C 2.837 178.710 175.800 0.121 0.000 1.090 485 F CA 1.469 59.544 58.000 0.125 0.000 1.307 485 F CB 0.030 39.095 39.000 0.109 0.000 1.019 485 F HN 0.170 nan 8.300 nan 0.000 0.489 486 R N 0.862 121.401 120.500 0.065 0.000 2.091 486 R HA -0.214 3.686 4.340 -0.732 0.000 0.238 486 R C 2.218 178.340 176.300 -0.298 0.000 1.136 486 R CA 1.805 57.807 56.100 -0.163 0.000 0.959 486 R CB -2.083 28.207 30.300 -0.016 0.000 0.856 486 R HN 0.690 nan 8.270 nan 0.000 0.437 487 N N -0.385 118.250 118.700 -0.108 0.000 2.120 487 N HA -0.151 4.149 4.740 -0.732 0.000 0.188 487 N C 1.700 177.143 175.510 -0.111 0.000 1.024 487 N CA 1.643 54.633 53.050 -0.100 0.000 0.852 487 N CB -0.634 37.852 38.487 -0.002 0.000 1.003 487 N HN 0.588 nan 8.380 nan 0.000 0.424 488 F N 0.829 120.674 119.950 -0.175 0.000 2.134 488 F HA 0.040 4.127 4.527 -0.733 0.000 0.299 488 F C 2.084 177.687 175.800 -0.328 0.000 1.097 488 F CA 1.281 59.176 58.000 -0.175 0.000 1.264 488 F CB -0.145 38.790 39.000 -0.109 0.000 1.001 488 F HN 0.254 nan 8.300 nan 0.000 0.479 489 I N 0.812 121.052 120.570 -0.550 0.000 2.252 489 I HA -0.211 3.520 4.170 -0.732 0.000 0.245 489 I C 2.841 178.549 176.117 -0.680 0.000 1.102 489 I CA 1.497 62.358 61.300 -0.732 0.000 1.385 489 I CB -1.285 36.426 38.000 -0.482 0.000 1.064 489 I HN 0.376 nan 8.210 nan 0.000 0.414 490 E N 0.863 120.704 120.200 -0.598 0.000 2.077 490 E HA -0.288 3.622 4.350 -0.732 0.000 0.193 490 E C 2.234 178.627 176.600 -0.346 0.000 0.989 490 E CA 1.985 58.120 56.400 -0.442 0.000 0.800 490 E CB -1.256 28.220 29.700 -0.373 0.000 0.746 490 E HN 0.644 nan 8.360 nan 0.000 0.452 491 Q N -0.232 119.354 119.800 -0.357 0.000 2.020 491 Q HA 0.145 4.046 4.340 -0.732 0.000 0.202 491 Q C 2.520 178.294 176.000 -0.377 0.000 0.982 491 Q CA 1.751 57.379 55.803 -0.291 0.000 0.838 491 Q CB -0.899 27.716 28.738 -0.204 0.000 0.899 491 Q HN 0.637 nan 8.270 nan 0.000 0.423 492 L N 1.398 122.231 121.223 -0.650 0.000 2.042 492 L HA -0.107 3.793 4.340 -0.732 0.000 0.210 492 L C 2.528 179.089 176.870 -0.515 0.000 1.076 492 L CA 2.888 57.312 54.840 -0.693 0.000 0.749 492 L CB -0.528 40.812 42.059 -1.200 0.000 0.893 492 L HN 0.651 nan 8.230 nan 0.000 0.432 493 T N -3.979 110.263 114.554 -0.520 0.000 3.107 493 T HA 0.309 4.219 4.350 -0.732 0.000 0.249 493 T C 1.371 175.941 174.700 -0.217 0.000 1.096 493 T CA 0.236 62.112 62.100 -0.372 0.000 1.012 493 T CB -0.344 68.302 68.868 -0.371 0.000 0.977 493 T HN 0.596 nan 8.240 nan 0.000 0.527 494 G N 1.171 109.849 108.800 -0.203 0.000 2.179 494 G HA2 0.024 3.544 3.960 -0.732 0.000 0.257 494 G HA3 0.024 3.544 3.960 -0.732 0.000 0.257 494 G C 1.095 175.939 174.900 -0.094 0.000 1.010 494 G CA 0.318 45.343 45.100 -0.127 0.000 0.736 494 G HN 1.761 nan 8.290 nan 0.000 0.513 495 G N -2.315 106.420 108.800 -0.107 0.000 2.168 495 G HA2 0.222 3.743 3.960 -0.732 0.000 0.257 495 G HA3 0.222 3.743 3.960 -0.732 0.000 0.257 495 G C 0.557 175.454 174.900 -0.005 0.000 0.997 495 G CA 1.528 46.602 45.100 -0.043 0.000 0.708 495 G HN 2.387 nan 8.290 nan 0.000 0.520 496 S N -0.396 115.290 115.700 -0.024 0.000 2.410 496 S HA 0.715 4.746 4.470 -0.732 0.000 0.304 496 S C 1.187 175.798 174.600 0.018 0.000 1.095 496 S CA 0.154 58.352 58.200 -0.003 0.000 1.089 496 S CB 0.455 63.647 63.200 -0.014 0.000 0.968 496 S HN 0.394 nan 8.310 nan 0.000 0.480 497 R N 1.364 121.885 120.500 0.036 0.000 2.159 497 R HA -0.102 3.799 4.340 -0.732 0.000 0.237 497 R C 2.478 178.803 176.300 0.041 0.000 1.131 497 R CA 1.713 57.840 56.100 0.045 0.000 0.982 497 R CB -0.231 30.082 30.300 0.021 0.000 0.868 497 R HN 0.858 nan 8.270 nan 0.000 0.453 498 E N 0.466 120.683 120.200 0.028 0.000 2.106 498 E HA -0.121 3.789 4.350 -0.732 0.000 0.192 498 E C 1.949 178.577 176.600 0.045 0.000 0.984 498 E CA 1.538 57.957 56.400 0.031 0.000 0.806 498 E CB -0.629 29.083 29.700 0.020 0.000 0.750 498 E HN 0.195 nan 8.360 nan 0.000 0.458 499 I N 0.626 121.215 120.570 0.033 0.000 2.333 499 I HA -0.113 3.617 4.170 -0.732 0.000 0.246 499 I C 2.821 178.983 176.117 0.075 0.000 1.106 499 I CA 1.353 62.673 61.300 0.033 0.000 1.411 499 I CB -0.834 37.152 38.000 -0.024 0.000 1.082 499 I HN 0.526 nan 8.210 nan 0.000 0.420 500 M N -0.312 119.332 119.600 0.073 0.000 2.106 500 M HA -0.263 3.777 4.480 -0.732 0.000 0.259 500 M C 2.692 179.143 176.300 0.250 0.000 1.068 500 M CA 2.098 57.508 55.300 0.183 0.000 1.100 500 M CB -0.477 32.231 32.600 0.180 0.000 1.351 500 M HN 0.208 nan 8.290 nan 0.000 0.404 501 R N -0.140 120.449 120.500 0.149 0.000 2.062 501 R HA -0.028 3.873 4.340 -0.732 0.000 0.226 501 R C 2.499 178.872 176.300 0.123 0.000 1.125 501 R CA 1.634 57.798 56.100 0.107 0.000 0.966 501 R CB -1.106 29.224 30.300 0.050 0.000 0.861 501 R HN 0.743 nan 8.270 nan 0.000 0.433 502 S N 0.393 116.180 115.700 0.145 0.000 2.428 502 S HA -0.013 4.018 4.470 -0.732 0.000 0.230 502 S C 1.685 176.476 174.600 0.318 0.000 1.014 502 S CA 0.639 58.966 58.200 0.212 0.000 0.957 502 S CB -0.115 63.172 63.200 0.146 0.000 0.784 502 S HN 0.223 nan 8.310 nan 0.000 0.499 503 R N 1.502 122.174 120.500 0.287 0.000 2.317 503 R HA 0.379 4.280 4.340 -0.732 0.000 0.208 503 R C -0.077 176.494 176.300 0.452 0.000 0.914 503 R CA -0.017 56.294 56.100 0.351 0.000 1.060 503 R CB -0.649 29.872 30.300 0.368 0.000 1.015 503 R HN 0.310 nan 8.270 nan 0.000 0.498 504 S N 2.655 118.562 115.700 0.345 0.000 2.465 504 S HA 0.211 4.241 4.470 -0.732 0.000 0.279 504 S C -1.693 172.994 174.600 0.143 0.000 1.201 504 S CA -1.181 57.132 58.200 0.189 0.000 1.053 504 S CB 1.706 64.961 63.200 0.092 0.000 0.953 504 S HN -0.018 nan 8.310 nan 0.000 0.488 505 P HA 0.017 nan 4.420 nan 0.000 0.223 505 P C 1.286 178.586 177.300 -0.001 0.000 1.151 505 P CA 0.237 63.366 63.100 0.049 0.000 0.787 505 P CB 0.091 31.740 31.700 -0.084 0.000 0.788 506 I N -0.154 120.381 120.570 -0.059 0.000 2.423 506 I HA -0.202 3.529 4.170 -0.732 0.000 0.254 506 I C 1.249 177.300 176.117 -0.110 0.000 1.151 506 I CA 1.435 62.680 61.300 -0.092 0.000 1.421 506 I CB -0.298 37.641 38.000 -0.102 0.000 1.079 506 I HN -0.137 nan 8.210 nan 0.000 0.431 507 N N -0.178 118.424 118.700 -0.163 0.000 2.461 507 N HA -0.022 4.278 4.740 -0.732 0.000 0.188 507 N C 0.381 175.611 175.510 -0.466 0.000 1.134 507 N CA 0.708 53.565 53.050 -0.321 0.000 0.878 507 N CB -0.126 38.120 38.487 -0.402 0.000 0.972 507 N HN 0.532 nan 8.380 nan 0.000 0.456 508 H N -1.108 117.938 119.070 -0.040 0.000 2.665 508 H HA 0.230 4.345 4.556 -0.734 0.000 0.248 508 H C 1.273 176.574 175.328 -0.046 0.000 1.175 508 H CA -0.126 55.899 56.048 -0.038 0.000 0.952 508 H CB 0.418 30.157 29.762 -0.039 0.000 1.883 508 H HN -0.098 nan 8.280 nan 0.000 0.623 509 V N 0.899 120.822 119.914 0.016 0.000 2.594 509 V HA -0.251 3.429 4.120 -0.732 0.000 0.253 509 V C 2.472 178.567 176.094 0.002 0.000 1.069 509 V CA 2.482 64.775 62.300 -0.012 0.000 1.082 509 V CB -0.751 31.039 31.823 -0.055 0.000 0.680 509 V HN 0.678 nan 8.190 nan 0.000 0.469 510 D N -0.295 120.111 120.400 0.010 0.000 2.190 510 D HA -0.257 3.944 4.640 -0.732 0.000 0.200 510 D C 2.234 178.546 176.300 0.020 0.000 0.992 510 D CA 1.665 55.673 54.000 0.013 0.000 0.854 510 D CB -0.456 40.352 40.800 0.014 0.000 0.936 510 D HN 0.531 nan 8.370 nan 0.000 0.462 511 R N -0.921 119.596 120.500 0.029 0.000 2.236 511 R HA 0.229 4.130 4.340 -0.732 0.000 0.208 511 R C 0.694 177.002 176.300 0.014 0.000 1.036 511 R CA -0.233 55.879 56.100 0.019 0.000 1.001 511 R CB -0.020 30.289 30.300 0.015 0.000 0.896 511 R HN 0.433 nan 8.270 nan 0.000 0.464 512 I N 1.443 122.023 120.570 0.016 0.000 2.668 512 I HA -0.136 3.594 4.170 -0.732 0.000 0.285 512 I C 0.973 177.109 176.117 0.033 0.000 1.168 512 I CA 0.695 62.008 61.300 0.022 0.000 1.424 512 I CB 0.976 38.987 38.000 0.017 0.000 1.377 512 I HN -0.078 nan 8.210 nan 0.000 0.560 513 K N 3.420 123.844 120.400 0.040 0.000 2.440 513 K HA 0.228 4.108 4.320 -0.732 0.000 0.207 513 K C -0.149 176.488 176.600 0.062 0.000 1.112 513 K CA -0.115 56.199 56.287 0.044 0.000 1.036 513 K CB 0.563 33.081 32.500 0.030 0.000 0.935 513 K HN 0.636 nan 8.250 nan 0.000 0.564 514 E N 0.669 120.918 120.200 0.081 0.000 2.221 514 E HA 0.396 4.306 4.350 -0.732 0.000 0.268 514 E C -2.853 173.838 176.600 0.152 0.000 0.933 514 E CA -2.504 53.964 56.400 0.113 0.000 0.809 514 E CB 1.070 30.846 29.700 0.127 0.000 1.190 514 E HN -0.080 nan 8.360 nan 0.000 0.406 515 P HA 0.017 nan 4.420 nan 0.000 0.266 515 P C -1.254 176.265 177.300 0.366 0.000 1.195 515 P CA -0.059 63.217 63.100 0.293 0.000 0.768 515 P CB 0.351 32.243 31.700 0.321 0.000 0.838 516 L N 2.854 124.241 121.223 0.274 0.000 2.410 516 L HA 0.760 4.660 4.340 -0.732 0.000 0.270 516 L C -1.234 175.545 176.870 -0.152 0.000 0.983 516 L CA -0.815 54.073 54.840 0.080 0.000 0.822 516 L CB 1.701 43.786 42.059 0.044 0.000 1.285 516 L HN 0.390 nan 8.230 nan 0.000 0.409 517 A N 5.911 128.413 122.820 -0.530 0.000 2.318 517 A HA 0.793 4.674 4.320 -0.732 0.000 0.324 517 A C -1.298 176.100 177.584 -0.310 0.000 1.170 517 A CA -0.501 51.137 52.037 -0.665 0.000 0.810 517 A CB 0.744 18.859 19.000 -1.474 0.000 1.198 517 A HN 0.722 nan 8.150 nan 0.000 0.484 518 L N 3.319 124.456 121.223 -0.143 0.000 2.296 518 L HA 0.546 4.447 4.340 -0.732 0.000 0.286 518 L C -0.790 176.082 176.870 0.002 0.000 1.023 518 L CA -0.188 54.602 54.840 -0.084 0.000 0.812 518 L CB 1.402 43.416 42.059 -0.075 0.000 1.223 518 L HN 0.582 nan 8.230 nan 0.000 0.421 519 I N 2.548 123.123 120.570 0.008 0.000 2.418 519 I HA 0.400 4.131 4.170 -0.732 0.000 0.287 519 I C -0.936 175.268 176.117 0.146 0.000 1.008 519 I CA -0.501 60.854 61.300 0.092 0.000 1.104 519 I CB 1.704 39.740 38.000 0.059 0.000 1.264 519 I HN 0.565 nan 8.210 nan 0.000 0.438 520 H N 6.684 125.775 119.070 0.035 0.000 2.954 520 H HA 0.430 4.538 4.556 -0.746 0.000 0.361 520 H C -2.750 172.601 175.328 0.039 0.000 1.122 520 H CA -1.276 54.784 56.048 0.020 0.000 1.217 520 H CB 2.944 32.699 29.762 -0.011 0.000 1.776 520 H HN 0.236 nan 8.280 nan 0.000 0.533 521 P HA 0.005 nan 4.420 nan 0.000 0.275 521 P C 0.150 177.484 177.300 0.057 0.000 1.228 521 P CA -0.144 62.936 63.100 -0.034 0.000 0.786 521 P CB 1.406 33.057 31.700 -0.082 0.000 0.927 522 Q N 2.513 122.348 119.800 0.058 0.000 2.212 522 Q HA -0.064 3.837 4.340 -0.732 0.000 0.199 522 Q C 0.179 176.209 176.000 0.050 0.000 0.950 522 Q CA 1.334 57.176 55.803 0.066 0.000 0.863 522 Q CB 0.127 28.894 28.738 0.048 0.000 0.944 522 Q HN 0.554 nan 8.270 nan 0.000 0.465 523 N N -0.931 117.788 118.700 0.032 0.000 2.547 523 N HA 0.208 4.508 4.740 -0.732 0.000 0.285 523 N C -1.217 174.302 175.510 0.014 0.000 1.600 523 N CA -0.068 52.996 53.050 0.022 0.000 0.872 523 N CB 0.204 38.700 38.487 0.015 0.000 1.412 523 N HN 0.062 nan 8.380 nan 0.000 0.489 524 A N 0.281 123.110 122.820 0.016 0.000 2.301 524 A HA 0.545 4.425 4.320 -0.732 0.000 0.298 524 A C 1.316 178.909 177.584 0.015 0.000 1.185 524 A CA -0.199 51.851 52.037 0.023 0.000 0.830 524 A CB 0.566 19.581 19.000 0.025 0.000 1.112 524 A HN 0.385 nan 8.150 nan 0.000 0.508 525 S N 2.399 118.110 115.700 0.019 0.000 2.382 525 S HA -0.149 3.882 4.470 -0.732 0.000 0.228 525 S C 1.843 176.427 174.600 -0.026 0.000 1.027 525 S CA 1.465 59.670 58.200 0.008 0.000 0.991 525 S CB -0.338 62.872 63.200 0.017 0.000 0.823 525 S HN 1.131 nan 8.310 nan 0.000 0.469 526 R N 0.708 121.161 120.500 -0.079 0.000 2.362 526 R HA 0.372 4.272 4.340 -0.732 0.000 0.227 526 R C 0.906 177.075 176.300 -0.218 0.000 0.905 526 R CA 0.712 56.677 56.100 -0.225 0.000 1.067 526 R CB -0.747 29.319 30.300 -0.389 0.000 1.078 526 R HN 0.435 nan 8.270 nan 0.000 0.516 527 T N 2.692 117.180 114.554 -0.109 0.000 3.410 527 T HA 0.296 4.206 4.350 -0.732 0.000 0.328 527 T C -2.907 171.814 174.700 0.035 0.000 1.567 527 T CA -1.325 60.732 62.100 -0.072 0.000 1.626 527 T CB 1.720 70.473 68.868 -0.192 0.000 0.939 527 T HN 0.246 nan 8.240 nan 0.000 0.656 528 P HA 0.226 nan 4.420 nan 0.000 0.274 528 P C 0.778 178.183 177.300 0.174 0.000 1.237 528 P CA -0.652 62.509 63.100 0.101 0.000 0.793 528 P CB 1.295 33.035 31.700 0.067 0.000 0.977 529 L N 2.550 123.850 121.223 0.127 0.000 2.131 529 L HA -0.072 3.829 4.340 -0.732 0.000 0.206 529 L C 2.696 179.560 176.870 -0.010 0.000 1.087 529 L CA 1.882 56.780 54.840 0.096 0.000 0.767 529 L CB -1.172 40.939 42.059 0.087 0.000 0.917 529 L HN 0.216 nan 8.230 nan 0.000 0.441 530 K N 0.161 120.562 120.400 0.002 0.000 2.059 530 K HA -0.137 3.744 4.320 -0.732 0.000 0.212 530 K C -0.274 176.295 176.600 -0.053 0.000 1.050 530 K CA 2.010 58.285 56.287 -0.020 0.000 0.927 530 K CB -1.704 30.794 32.500 -0.003 0.000 0.714 530 K HN 0.439 nan 8.250 nan 0.000 0.447 531 P HA -0.039 nan 4.420 nan 0.000 0.220 531 P C 1.397 178.602 177.300 -0.157 0.000 1.148 531 P CA 0.833 63.882 63.100 -0.085 0.000 0.803 531 P CB -0.066 31.597 31.700 -0.062 0.000 0.782 532 L N -1.196 119.889 121.223 -0.229 0.000 2.109 532 L HA -0.061 3.839 4.340 -0.732 0.000 0.207 532 L C 2.154 178.878 176.870 -0.243 0.000 1.086 532 L CA 1.446 56.080 54.840 -0.344 0.000 0.760 532 L CB -0.979 40.686 42.059 -0.658 0.000 0.910 532 L HN -0.145 nan 8.230 nan 0.000 0.437 533 L N -0.784 120.340 121.223 -0.164 0.000 2.079 533 L HA -0.247 3.653 4.340 -0.732 0.000 0.210 533 L C 2.747 179.545 176.870 -0.119 0.000 1.081 533 L CA 1.502 56.273 54.840 -0.114 0.000 0.752 533 L CB -0.564 41.456 42.059 -0.065 0.000 0.896 533 L HN 0.296 nan 8.230 nan 0.000 0.433 534 R N 0.284 120.714 120.500 -0.116 0.000 2.073 534 R HA -0.220 3.680 4.340 -0.732 0.000 0.234 534 R C 2.341 178.552 176.300 -0.147 0.000 1.134 534 R CA 1.527 57.562 56.100 -0.109 0.000 0.952 534 R CB -0.324 29.922 30.300 -0.090 0.000 0.850 534 R HN 0.168 nan 8.270 nan 0.000 0.433 535 L N 0.827 121.937 121.223 -0.187 0.000 2.013 535 L HA -0.180 3.721 4.340 -0.732 0.000 0.212 535 L C 2.096 178.771 176.870 -0.324 0.000 1.073 535 L CA 1.938 56.636 54.840 -0.235 0.000 0.753 535 L CB -0.411 41.492 42.059 -0.260 0.000 0.890 535 L HN 0.311 nan 8.230 nan 0.000 0.432 536 M N -1.103 118.273 119.600 -0.372 0.000 2.213 536 M HA -0.119 3.922 4.480 -0.732 0.000 0.263 536 M C 2.095 178.214 176.300 -0.301 0.000 1.062 536 M CA 1.552 56.529 55.300 -0.538 0.000 1.105 536 M CB -0.938 31.457 32.600 -0.342 0.000 1.385 536 M HN 0.501 nan 8.290 nan 0.000 0.417 537 G N -0.187 108.515 108.800 -0.163 0.000 2.404 537 G HA2 -0.187 3.334 3.960 -0.732 0.000 0.215 537 G HA3 -0.187 3.334 3.960 -0.732 0.000 0.215 537 G C 1.373 176.223 174.900 -0.084 0.000 1.174 537 G CA 0.933 45.985 45.100 -0.081 0.000 0.780 537 G HN 0.385 nan 8.290 nan 0.000 0.537 538 E N 0.338 120.468 120.200 -0.118 0.000 2.085 538 E HA -0.054 3.857 4.350 -0.732 0.000 0.194 538 E C 2.766 179.304 176.600 -0.103 0.000 0.994 538 E CA 1.013 57.352 56.400 -0.102 0.000 0.801 538 E CB -0.342 29.291 29.700 -0.112 0.000 0.743 538 E HN 0.531 nan 8.360 nan 0.000 0.453 539 L N -0.426 120.685 121.223 -0.186 0.000 2.017 539 L HA -0.126 3.775 4.340 -0.732 0.000 0.208 539 L C 2.632 179.518 176.870 0.027 0.000 1.073 539 L CA 1.334 56.078 54.840 -0.160 0.000 0.745 539 L CB -0.484 41.286 42.059 -0.481 0.000 0.894 539 L HN 0.250 nan 8.230 nan 0.000 0.432 540 L N 0.188 121.464 121.223 0.088 0.000 2.017 540 L HA -0.162 3.739 4.340 -0.732 0.000 0.208 540 L C 2.621 179.542 176.870 0.085 0.000 1.073 540 L CA 2.015 56.970 54.840 0.192 0.000 0.745 540 L CB -0.666 41.517 42.059 0.208 0.000 0.894 540 L HN 0.151 nan 8.230 nan 0.000 0.432 541 A N -0.337 122.504 122.820 0.036 0.000 1.940 541 A HA -0.206 3.675 4.320 -0.732 0.000 0.219 541 A C 2.314 179.909 177.584 0.018 0.000 1.176 541 A CA 1.900 53.948 52.037 0.018 0.000 0.631 541 A CB -0.541 18.457 19.000 -0.003 0.000 0.814 541 A HN 0.555 nan 8.150 nan 0.000 0.446 542 R N -1.617 118.893 120.500 0.017 0.000 2.334 542 R HA 0.269 4.169 4.340 -0.732 0.000 0.220 542 R C 1.072 177.392 176.300 0.034 0.000 0.917 542 R CA 0.503 56.613 56.100 0.016 0.000 1.073 542 R CB 0.058 30.358 30.300 0.001 0.000 1.056 542 R HN 0.686 nan 8.270 nan 0.000 0.506 543 G N 1.342 110.174 108.800 0.053 0.000 2.141 543 G HA2 -0.239 3.281 3.960 -0.732 0.000 0.242 543 G HA3 -0.239 3.281 3.960 -0.732 0.000 0.242 543 G C -0.198 174.752 174.900 0.084 0.000 0.982 543 G CA -0.238 44.899 45.100 0.060 0.000 0.662 543 G HN 0.077 nan 8.290 nan 0.000 0.527 544 K N 1.057 121.529 120.400 0.120 0.000 2.174 544 K HA 0.468 4.349 4.320 -0.732 0.000 0.275 544 K C 0.366 177.098 176.600 0.221 0.000 1.015 544 K CA -0.270 56.104 56.287 0.145 0.000 0.933 544 K CB 0.909 33.480 32.500 0.119 0.000 1.025 544 K HN 0.101 nan 8.250 nan 0.000 0.463 545 T N 4.155 118.810 114.554 0.169 0.000 2.799 545 T HA 0.323 4.234 4.350 -0.732 0.000 0.296 545 T C -0.121 174.734 174.700 0.257 0.000 0.947 545 T CA 0.027 62.217 62.100 0.149 0.000 1.141 545 T CB -0.527 68.416 68.868 0.125 0.000 0.891 545 T HN 0.450 nan 8.240 nan 0.000 0.533 546 F N 0.776 120.748 119.950 0.038 0.000 2.631 546 F HA 0.764 4.838 4.527 -0.756 0.000 0.308 546 F C -0.816 174.976 175.800 -0.013 0.000 1.097 546 F CA -1.356 56.646 58.000 0.002 0.000 0.952 546 F CB 1.597 40.571 39.000 -0.044 0.000 1.307 546 F HN 0.422 nan 8.300 nan 0.000 0.450 547 E N 1.869 122.086 120.200 0.029 0.000 2.227 547 E HA 0.822 4.732 4.350 -0.732 0.000 0.268 547 E C -1.695 174.890 176.600 -0.025 0.000 0.907 547 E CA -1.260 55.083 56.400 -0.096 0.000 0.786 547 E CB 2.112 31.794 29.700 -0.030 0.000 1.191 547 E HN 1.103 nan 8.360 nan 0.000 0.411 548 A N 3.808 126.514 122.820 -0.190 0.000 2.486 548 A HA 0.543 4.424 4.320 -0.732 0.000 0.300 548 A C -1.644 175.663 177.584 -0.462 0.000 1.048 548 A CA -0.665 51.288 52.037 -0.139 0.000 0.696 548 A CB 1.295 20.339 19.000 0.074 0.000 1.278 548 A HN 0.708 nan 8.150 nan 0.000 0.405 549 H N 1.937 121.027 119.070 0.032 0.000 2.924 549 H HA 0.426 4.998 4.556 0.027 0.000 0.333 549 H C -1.386 173.975 175.328 0.054 0.000 0.979 549 H CA -0.198 55.871 56.048 0.035 0.000 1.326 549 H CB 1.477 31.253 29.762 0.024 0.000 1.600 549 H HN 0.530 nan 8.280 nan 0.000 0.520 550 I N 5.093 125.737 120.570 0.124 0.000 2.362 550 I HA 0.297 4.027 4.170 -0.732 0.000 0.289 550 I C -0.271 175.903 176.117 0.095 0.000 0.994 550 I CA -0.445 60.921 61.300 0.110 0.000 1.158 550 I CB 1.351 39.396 38.000 0.075 0.000 1.315 550 I HN 0.323 nan 8.210 nan 0.000 0.451 551 I N 8.464 129.087 120.570 0.088 0.000 2.447 551 I HA 0.393 4.124 4.170 -0.732 0.000 0.287 551 I C -2.377 173.766 176.117 0.044 0.000 1.023 551 I CA -1.983 59.355 61.300 0.064 0.000 1.083 551 I CB 1.862 39.899 38.000 0.063 0.000 1.245 551 I HN 0.288 nan 8.210 nan 0.000 0.434 552 P HA 0.112 nan 4.420 nan 0.000 0.275 552 P C -0.721 176.584 177.300 0.009 0.000 1.228 552 P CA 0.115 63.227 63.100 0.020 0.000 0.786 552 P CB 0.490 32.200 31.700 0.016 0.000 0.927 553 D N 0.448 120.847 120.400 -0.003 0.000 2.705 553 D HA -0.185 4.016 4.640 -0.732 0.000 0.240 553 D C 0.980 177.267 176.300 -0.020 0.000 1.137 553 D CA 1.060 55.047 54.000 -0.021 0.000 0.677 553 D CB -1.233 39.555 40.800 -0.020 0.000 1.049 553 D HN 0.518 nan 8.370 nan 0.000 0.427 554 A N 0.262 123.077 122.820 -0.008 0.000 2.014 554 A HA 0.361 4.242 4.320 -0.732 0.000 0.218 554 A C 1.646 179.236 177.584 0.010 0.000 1.163 554 A CA 2.029 54.075 52.037 0.015 0.000 0.652 554 A CB -0.079 18.944 19.000 0.037 0.000 0.808 554 A HN 1.329 nan 8.150 nan 0.000 0.449 555 G N -1.618 107.153 108.800 -0.047 0.000 2.698 555 G HA2 -0.252 3.268 3.960 -0.732 0.000 0.233 555 G HA3 -0.252 3.268 3.960 -0.732 0.000 0.233 555 G C 0.049 174.995 174.900 0.077 0.000 1.352 555 G CA 0.306 45.332 45.100 -0.123 0.000 0.879 555 G HN 0.776 nan 8.290 nan 0.000 0.567 556 H N -0.095 118.970 119.070 -0.008 0.000 3.230 556 H HA 0.539 4.654 4.556 -0.736 0.000 0.259 556 H C 0.775 176.100 175.328 -0.005 0.000 1.195 556 H CA 0.252 56.294 56.048 -0.011 0.000 1.112 556 H CB 0.795 30.549 29.762 -0.013 0.000 1.638 556 H HN 0.979 nan 8.280 nan 0.000 0.624 557 A N 1.018 123.905 122.820 0.112 0.000 2.549 557 A HA 0.489 4.370 4.320 -0.732 0.000 0.297 557 A C -0.930 176.682 177.584 0.047 0.000 1.061 557 A CA -0.463 51.616 52.037 0.070 0.000 0.690 557 A CB 1.176 20.207 19.000 0.052 0.000 1.287 557 A HN 0.059 nan 8.150 nan 0.000 0.402 558 I N 3.118 123.712 120.570 0.040 0.000 2.294 558 I HA 0.188 3.918 4.170 -0.732 0.000 0.295 558 I C 0.543 176.643 176.117 -0.028 0.000 1.098 558 I CA -0.393 60.893 61.300 -0.023 0.000 1.277 558 I CB -0.410 37.518 38.000 -0.121 0.000 1.434 558 I HN 0.805 nan 8.210 nan 0.000 0.498 559 N N 2.210 120.900 118.700 -0.017 0.000 2.606 559 N HA 0.057 4.357 4.740 -0.732 0.000 0.208 559 N C 1.036 176.540 175.510 -0.010 0.000 1.046 559 N CA 0.799 53.848 53.050 -0.002 0.000 0.891 559 N CB 0.474 38.969 38.487 0.014 0.000 1.344 559 N HN 0.726 nan 8.380 nan 0.000 0.437 560 T N -1.505 113.038 114.554 -0.019 0.000 2.936 560 T HA 0.327 4.237 4.350 -0.732 0.000 0.282 560 T C 1.271 175.949 174.700 -0.036 0.000 1.003 560 T CA -0.555 61.534 62.100 -0.020 0.000 1.005 560 T CB 1.860 70.719 68.868 -0.015 0.000 1.097 560 T HN -0.191 nan 8.240 nan 0.000 0.532 561 M N 0.376 119.957 119.600 -0.031 0.000 2.117 561 M HA 0.030 4.071 4.480 -0.732 0.000 0.262 561 M C 2.203 178.475 176.300 -0.046 0.000 1.065 561 M CA 1.743 57.020 55.300 -0.040 0.000 1.114 561 M CB -1.096 31.489 32.600 -0.024 0.000 1.361 561 M HN 0.919 nan 8.290 nan 0.000 0.408 562 E N -0.295 119.885 120.200 -0.032 0.000 2.085 562 E HA -0.258 3.653 4.350 -0.732 0.000 0.194 562 E C 1.382 177.959 176.600 -0.039 0.000 0.994 562 E CA 1.802 58.184 56.400 -0.031 0.000 0.801 562 E CB -0.124 29.564 29.700 -0.020 0.000 0.743 562 E HN 0.544 nan 8.360 nan 0.000 0.453 563 D N 0.192 120.568 120.400 -0.040 0.000 2.097 563 D HA -0.170 4.031 4.640 -0.732 0.000 0.195 563 D C 1.862 178.120 176.300 -0.071 0.000 0.989 563 D CA 1.399 55.374 54.000 -0.041 0.000 0.827 563 D CB -0.417 40.361 40.800 -0.036 0.000 0.966 563 D HN 0.314 nan 8.370 nan 0.000 0.456 564 A N 0.803 123.559 122.820 -0.107 0.000 1.902 564 A HA -0.142 3.738 4.320 -0.732 0.000 0.217 564 A C 2.568 180.061 177.584 -0.152 0.000 1.181 564 A CA 1.278 53.215 52.037 -0.166 0.000 0.623 564 A CB -0.764 18.130 19.000 -0.178 0.000 0.818 564 A HN 0.153 nan 8.150 nan 0.000 0.443 565 V N -0.073 119.769 119.914 -0.119 0.000 2.407 565 V HA -0.262 3.418 4.120 -0.732 0.000 0.248 565 V C 2.446 178.464 176.094 -0.126 0.000 1.055 565 V CA 2.386 64.606 62.300 -0.133 0.000 1.049 565 V CB -0.631 31.141 31.823 -0.084 0.000 0.662 565 V HN 0.553 nan 8.190 nan 0.000 0.455 566 K N -0.634 119.720 120.400 -0.076 0.000 2.062 566 K HA -0.057 3.823 4.320 -0.732 0.000 0.205 566 K C 1.980 178.563 176.600 -0.028 0.000 1.051 566 K CA 1.614 57.876 56.287 -0.042 0.000 0.941 566 K CB -0.093 32.401 32.500 -0.010 0.000 0.719 566 K HN 0.379 nan 8.250 nan 0.000 0.440 567 I N -0.619 119.944 120.570 -0.013 0.000 3.718 567 I HA 0.020 3.751 4.170 -0.732 0.000 0.297 567 I C 1.626 177.825 176.117 0.136 0.000 1.220 567 I CA 0.169 61.521 61.300 0.087 0.000 1.381 567 I CB 0.066 38.129 38.000 0.105 0.000 1.238 567 I HN 0.173 nan 8.210 nan 0.000 0.448 568 L N -0.131 121.082 121.223 -0.017 0.000 2.269 568 L HA 0.319 4.219 4.340 -0.732 0.000 0.200 568 L C 2.064 178.863 176.870 -0.119 0.000 1.069 568 L CA 1.655 56.468 54.840 -0.045 0.000 0.804 568 L CB -0.897 40.935 42.059 -0.378 0.000 0.987 568 L HN 0.129 nan 8.230 nan 0.000 0.468 569 L N 0.782 121.851 121.223 -0.256 0.000 2.043 569 L HA -0.126 3.774 4.340 -0.732 0.000 0.212 569 L C -0.553 176.005 176.870 -0.520 0.000 1.075 569 L CA 2.296 56.842 54.840 -0.489 0.000 0.752 569 L CB -1.787 39.886 42.059 -0.643 0.000 0.891 569 L HN 0.232 nan 8.230 nan 0.000 0.432 570 P HA -0.099 nan 4.420 nan 0.000 0.219 570 P C 1.486 178.768 177.300 -0.031 0.000 1.150 570 P CA 1.599 64.511 63.100 -0.313 0.000 0.814 570 P CB -0.058 31.275 31.700 -0.611 0.000 0.787 571 A N -0.390 122.435 122.820 0.009 0.000 1.877 571 A HA -0.156 3.724 4.320 -0.732 0.000 0.216 571 A C 2.307 179.971 177.584 0.133 0.000 1.186 571 A CA 1.945 54.043 52.037 0.101 0.000 0.620 571 A CB -1.720 17.363 19.000 0.138 0.000 0.822 571 A HN 0.020 nan 8.150 nan 0.000 0.443 572 V N -0.786 119.171 119.914 0.072 0.000 2.261 572 V HA -0.214 3.466 4.120 -0.732 0.000 0.246 572 V C 2.375 178.646 176.094 0.295 0.000 1.047 572 V CA 1.899 64.263 62.300 0.107 0.000 1.015 572 V CB -1.073 30.801 31.823 0.086 0.000 0.642 572 V HN 0.511 nan 8.190 nan 0.000 0.446 573 F N -0.113 119.925 119.950 0.146 0.000 2.126 573 F HA -0.160 3.922 4.527 -0.742 0.000 0.299 573 F C 2.287 178.217 175.800 0.216 0.000 1.096 573 F CA 1.196 59.332 58.000 0.227 0.000 1.255 573 F CB -1.345 37.858 39.000 0.338 0.000 0.997 573 F HN 0.237 nan 8.300 nan 0.000 0.479 574 F N 0.611 120.721 119.950 0.266 0.000 2.102 574 F HA -0.177 3.921 4.527 -0.715 0.000 0.298 574 F C 2.063 177.898 175.800 0.058 0.000 1.105 574 F CA 1.542 59.639 58.000 0.160 0.000 1.239 574 F CB -0.595 38.478 39.000 0.122 0.000 0.991 574 F HN -0.132 nan 8.300 nan 0.000 0.474 575 L N 0.130 121.308 121.223 -0.076 0.000 2.046 575 L HA -0.166 3.734 4.340 -0.732 0.000 0.208 575 L C 2.842 179.628 176.870 -0.140 0.000 1.077 575 L CA 1.123 55.721 54.840 -0.403 0.000 0.747 575 L CB -1.292 40.351 42.059 -0.694 0.000 0.896 575 L HN 0.269 nan 8.230 nan 0.000 0.432 576 A N 0.277 123.152 122.820 0.091 0.000 1.933 576 A HA -0.217 3.664 4.320 -0.732 0.000 0.218 576 A C 2.458 180.007 177.584 -0.058 0.000 1.175 576 A CA 2.277 54.375 52.037 0.101 0.000 0.628 576 A CB -0.929 18.098 19.000 0.044 0.000 0.814 576 A HN 0.535 nan 8.150 nan 0.000 0.444 577 T N -3.354 111.157 114.554 -0.073 0.000 2.942 577 T HA -0.104 3.806 4.350 -0.732 0.000 0.265 577 T C 1.827 176.466 174.700 -0.101 0.000 1.062 577 T CA 1.219 63.275 62.100 -0.074 0.000 1.139 577 T CB -0.248 68.637 68.868 0.029 0.000 0.883 577 T HN 0.386 nan 8.240 nan 0.000 0.468 578 Q N 0.949 120.627 119.800 -0.203 0.000 2.119 578 Q HA 0.036 3.936 4.340 -0.732 0.000 0.201 578 Q C 2.472 178.500 176.000 0.047 0.000 0.972 578 Q CA 1.085 56.802 55.803 -0.143 0.000 0.847 578 Q CB -0.381 28.183 28.738 -0.291 0.000 0.903 578 Q HN 0.620 nan 8.270 nan 0.000 0.433 579 R N 0.623 121.159 120.500 0.060 0.000 2.091 579 R HA -0.138 3.763 4.340 -0.732 0.000 0.238 579 R C 0.882 177.208 176.300 0.043 0.000 1.136 579 R CA 1.773 57.954 56.100 0.136 0.000 0.959 579 R CB 0.299 30.636 30.300 0.062 0.000 0.856 579 R HN 0.257 nan 8.270 nan 0.000 0.437 580 E N 0.000 120.192 120.200 -0.014 0.000 2.725 580 E HA 0.000 3.911 4.350 -0.732 0.000 0.291 580 E CA 0.000 56.382 56.400 -0.030 0.000 0.976 580 E CB 0.000 nan 29.700 nan 0.000 0.812 580 E HN 0.000 nan 8.360 nan 0.000 0.440