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 3b53_1_X DATA FIRST_RESID 4 DATA SEQUENCE QNLKSTDRAV QQMLDKAKRE GIQTVWDRYE AMKPQCGFGE TGLCCRHCLQ DATA SEQUENCE GPCRINPFGD EPKVGICGAT AEVIVARGLD RSIAAGAAGH SGHAKHLAHT DATA SEQUENCE LKKAVQGKAA SYMIKDRTKL HSIAKRLGIP TEGQKDEDIA LEVAKAALAD DATA SEQUENCE FHEKDTPVLW VTTVLPPSRV KVLSAHGLIP AGIDHEIAEI MHRTSMGCDA DATA SEQUENCE DAQNLLLGGL RCSLADLAGC YMGTDLADIL FGTPAPVVTE SNLGVLKADA DATA SEQUENCE VNVAVHGHNP VLSDIIVSVS KEMENEARAA GATGINVVGI CCTGNEVLMR DATA SEQUENCE HGIPACTHSV SQEMAMITGA LDAMILDYQC IQPSVATIAE CTGTTVITTM DATA SEQUENCE EMSKITGATH VNFAEEAAVE NAKQILRLAI DTFKRRKGKP VEIPNIKTKV DATA SEQUENCE VAGFSTEAII NALSKLNAND PLKPLIDNVV NGNIRGVCLF AGCNNVKVPQ DATA SEQUENCE DQNFTTIARK LLKQNVLVVA TGCGAGALMR HGFMDPANVD ELCGDGLKAV DATA SEQUENCE LTAIGEANGL GGPLPPVLHM GSCVDNSRAV ALVAALANRL GVDLDRLPVV DATA SEQUENCE ASAAEAMHEK AVAIGTWAVT IGLPTHIGVL PPITGSLPVT QILTSSVKDI DATA SEQUENCE TGGYFIVELD PETAADKLLA AINERRAGLG LPW 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.905 176.000 -0.159 0.000 1.003 4 Q CA 0.000 55.710 55.803 -0.155 0.000 1.022 4 Q CB 0.000 28.644 28.738 -0.157 0.000 1.108 5 N N 1.739 120.386 118.700 -0.088 0.000 2.453 5 N HA -0.078 4.662 4.740 -0.001 0.000 0.183 5 N C 1.508 176.990 175.510 -0.046 0.000 1.041 5 N CA 0.723 53.739 53.050 -0.056 0.000 0.900 5 N CB -0.199 38.275 38.487 -0.023 0.000 0.961 5 N HN 0.279 nan 8.380 nan 0.000 0.443 6 L N -0.360 120.830 121.223 -0.054 0.000 2.395 6 L HA 0.051 4.390 4.340 -0.001 0.000 0.218 6 L C 2.156 179.012 176.870 -0.023 0.000 1.130 6 L CA 0.825 55.654 54.840 -0.019 0.000 0.826 6 L CB -0.134 41.922 42.059 -0.006 0.000 0.941 6 L HN 0.139 nan 8.230 nan 0.000 0.451 7 K N -1.035 119.263 120.400 -0.169 0.000 2.190 7 K HA 0.092 4.412 4.320 -0.001 0.000 0.202 7 K C 0.779 177.243 176.600 -0.227 0.000 1.045 7 K CA 0.324 56.376 56.287 -0.392 0.000 0.976 7 K CB 0.458 32.283 32.500 -1.125 0.000 0.849 7 K HN 0.010 nan 8.250 nan 0.000 0.468 8 S N -0.182 115.367 115.700 -0.252 0.000 2.540 8 S HA 0.131 4.601 4.470 -0.001 0.000 0.275 8 S C 0.363 174.970 174.600 0.010 0.000 1.123 8 S CA -0.731 57.445 58.200 -0.040 0.000 0.907 8 S CB 1.657 64.807 63.200 -0.084 0.000 1.081 8 S HN 0.292 nan 8.310 nan 0.000 0.476 9 T N -0.163 114.454 114.554 0.104 0.000 3.148 9 T HA 0.133 4.483 4.350 -0.001 0.000 0.253 9 T C 0.287 175.140 174.700 0.256 0.000 1.134 9 T CA 0.136 62.320 62.100 0.139 0.000 1.051 9 T CB -0.244 68.679 68.868 0.090 0.000 0.959 9 T HN 0.516 nan 8.240 nan 0.000 0.525 10 D N 1.212 121.731 120.400 0.198 0.000 2.316 10 D HA 0.206 4.846 4.640 -0.001 0.000 0.245 10 D C 1.034 177.346 176.300 0.020 0.000 1.171 10 D CA -0.418 53.633 54.000 0.085 0.000 0.856 10 D CB 1.111 41.950 40.800 0.065 0.000 1.090 10 D HN 0.195 nan 8.370 nan 0.000 0.476 11 R N 2.703 123.202 120.500 -0.001 0.000 2.115 11 R HA -0.084 4.255 4.340 -0.001 0.000 0.230 11 R C 1.924 178.212 176.300 -0.019 0.000 1.111 11 R CA 1.243 57.337 56.100 -0.009 0.000 0.976 11 R CB 0.010 30.306 30.300 -0.006 0.000 0.870 11 R HN 0.480 nan 8.270 nan 0.000 0.445 12 A N 0.673 123.481 122.820 -0.022 0.000 1.898 12 A HA -0.098 4.221 4.320 -0.001 0.000 0.216 12 A C 2.305 179.885 177.584 -0.007 0.000 1.181 12 A CA 1.236 53.265 52.037 -0.014 0.000 0.620 12 A CB -0.410 18.582 19.000 -0.013 0.000 0.819 12 A HN 0.103 nan 8.150 nan 0.000 0.442 13 V N -0.029 119.885 119.914 -0.001 0.000 2.358 13 V HA -0.315 3.805 4.120 -0.001 0.000 0.246 13 V C 2.617 178.671 176.094 -0.067 0.000 1.047 13 V CA 2.212 64.512 62.300 -0.001 0.000 1.035 13 V CB -0.971 30.876 31.823 0.039 0.000 0.658 13 V HN 0.639 nan 8.190 nan 0.000 0.452 14 Q N -0.370 119.382 119.800 -0.080 0.000 2.096 14 Q HA -0.313 4.027 4.340 -0.001 0.000 0.204 14 Q C 2.376 178.336 176.000 -0.068 0.000 0.982 14 Q CA 2.114 57.856 55.803 -0.102 0.000 0.850 14 Q CB -0.245 28.448 28.738 -0.075 0.000 0.901 14 Q HN 0.685 nan 8.270 nan 0.000 0.422 15 Q N -0.216 119.560 119.800 -0.039 0.000 2.084 15 Q HA -0.173 4.167 4.340 -0.001 0.000 0.202 15 Q C 1.943 177.932 176.000 -0.018 0.000 0.978 15 Q CA 1.097 56.885 55.803 -0.025 0.000 0.844 15 Q CB 0.149 28.878 28.738 -0.015 0.000 0.898 15 Q HN 0.333 nan 8.270 nan 0.000 0.426 16 M N 0.035 119.628 119.600 -0.012 0.000 2.254 16 M HA -0.089 4.390 4.480 -0.001 0.000 0.265 16 M C 2.109 178.413 176.300 0.005 0.000 1.066 16 M CA 0.998 56.302 55.300 0.006 0.000 1.123 16 M CB -0.678 31.938 32.600 0.026 0.000 1.388 16 M HN 0.291 nan 8.290 nan 0.000 0.425 17 L N 0.004 121.210 121.223 -0.029 0.000 2.042 17 L HA -0.258 4.081 4.340 -0.001 0.000 0.210 17 L C 2.100 178.954 176.870 -0.027 0.000 1.076 17 L CA 1.131 55.944 54.840 -0.045 0.000 0.749 17 L CB -0.726 41.238 42.059 -0.159 0.000 0.893 17 L HN 0.259 nan 8.230 nan 0.000 0.432 18 D N -0.102 120.278 120.400 -0.033 0.000 2.117 18 D HA -0.207 4.432 4.640 -0.001 0.000 0.197 18 D C 2.100 178.398 176.300 -0.004 0.000 0.987 18 D CA 1.178 55.167 54.000 -0.020 0.000 0.829 18 D CB -0.018 40.769 40.800 -0.022 0.000 0.961 18 D HN 0.250 nan 8.370 nan 0.000 0.460 19 K N 0.731 121.132 120.400 0.001 0.000 2.026 19 K HA -0.100 4.220 4.320 -0.001 0.000 0.208 19 K C 2.056 178.666 176.600 0.017 0.000 1.048 19 K CA 1.301 57.593 56.287 0.008 0.000 0.929 19 K CB -0.049 32.458 32.500 0.010 0.000 0.713 19 K HN 0.005 nan 8.250 nan 0.000 0.439 20 A N 1.569 124.404 122.820 0.026 0.000 1.908 20 A HA -0.235 4.085 4.320 -0.001 0.000 0.218 20 A C 2.057 179.662 177.584 0.036 0.000 1.181 20 A CA 1.955 54.016 52.037 0.041 0.000 0.627 20 A CB -0.557 18.482 19.000 0.065 0.000 0.818 20 A HN 0.414 nan 8.150 nan 0.000 0.445 21 K N -0.469 119.947 120.400 0.027 0.000 2.009 21 K HA -0.218 4.101 4.320 -0.001 0.000 0.210 21 K C 2.332 178.943 176.600 0.018 0.000 1.049 21 K CA 1.705 58.006 56.287 0.023 0.000 0.929 21 K CB -0.256 32.251 32.500 0.011 0.000 0.714 21 K HN 0.397 nan 8.250 nan 0.000 0.440 22 R N 0.825 121.333 120.500 0.012 0.000 2.119 22 R HA -0.171 4.169 4.340 -0.001 0.000 0.246 22 R C 1.364 177.672 176.300 0.013 0.000 1.146 22 R CA 2.234 58.340 56.100 0.010 0.000 0.962 22 R CB -0.018 30.286 30.300 0.007 0.000 0.863 22 R HN 0.363 nan 8.270 nan 0.000 0.442 23 E N -1.490 118.720 120.200 0.016 0.000 2.479 23 E HA 0.104 4.454 4.350 -0.001 0.000 0.193 23 E C 0.542 177.155 176.600 0.021 0.000 1.049 23 E CA 0.353 56.764 56.400 0.017 0.000 0.870 23 E CB 0.719 30.431 29.700 0.019 0.000 0.944 23 E HN 0.624 nan 8.360 nan 0.000 0.492 24 G N 2.114 110.929 108.800 0.024 0.000 2.198 24 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.260 24 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.260 24 G C 0.136 175.057 174.900 0.034 0.000 1.025 24 G CA 0.003 45.120 45.100 0.028 0.000 0.769 24 G HN 0.246 nan 8.290 nan 0.000 0.507 25 I N 0.813 121.407 120.570 0.041 0.000 2.312 25 I HA 0.206 4.376 4.170 -0.001 0.000 0.291 25 I C 0.925 177.080 176.117 0.064 0.000 1.031 25 I CA -0.434 60.895 61.300 0.049 0.000 1.293 25 I CB 1.338 39.368 38.000 0.050 0.000 1.403 25 I HN 0.262 nan 8.210 nan 0.000 0.484 26 Q N 5.599 125.437 119.800 0.064 0.000 2.337 26 Q HA 0.165 4.504 4.340 -0.001 0.000 0.270 26 Q C -0.070 175.990 176.000 0.100 0.000 1.002 26 Q CA -0.088 55.762 55.803 0.078 0.000 0.888 26 Q CB 0.969 29.745 28.738 0.064 0.000 1.222 26 Q HN 0.778 nan 8.270 nan 0.000 0.400 27 T N -0.662 113.976 114.554 0.140 0.000 2.938 27 T HA 0.202 4.552 4.350 -0.001 0.000 0.285 27 T C 0.848 175.634 174.700 0.144 0.000 1.028 27 T CA -0.444 61.764 62.100 0.180 0.000 1.005 27 T CB 1.051 70.115 68.868 0.327 0.000 1.157 27 T HN 0.440 nan 8.240 nan 0.000 0.550 28 V N 0.254 120.202 119.914 0.057 0.000 2.380 28 V HA -0.098 4.021 4.120 -0.001 0.000 0.251 28 V C 1.804 177.864 176.094 -0.058 0.000 1.063 28 V CA 1.629 63.867 62.300 -0.103 0.000 1.055 28 V CB -0.905 30.707 31.823 -0.352 0.000 0.657 28 V HN 0.840 nan 8.190 nan 0.000 0.455 29 W N -0.108 121.258 121.300 0.109 0.000 2.388 29 W HA -0.074 4.586 4.660 -0.000 0.000 0.294 29 W C 2.302 178.908 176.519 0.144 0.000 1.212 29 W CA 1.280 58.719 57.345 0.157 0.000 1.271 29 W CB -0.701 28.831 29.460 0.120 0.000 1.126 29 W HN 0.414 nan 8.180 nan 0.000 0.535 30 D N -0.188 120.397 120.400 0.309 0.000 2.117 30 D HA -0.118 4.522 4.640 -0.001 0.000 0.198 30 D C 2.106 178.486 176.300 0.132 0.000 0.982 30 D CA 1.214 55.323 54.000 0.181 0.000 0.828 30 D CB -0.382 40.502 40.800 0.140 0.000 0.967 30 D HN 0.211 nan 8.370 nan 0.000 0.464 31 R N -0.353 120.223 120.500 0.127 0.000 2.115 31 R HA -0.134 4.206 4.340 -0.001 0.000 0.230 31 R C 2.279 178.658 176.300 0.131 0.000 1.111 31 R CA 0.615 56.772 56.100 0.096 0.000 0.976 31 R CB -0.340 30.000 30.300 0.067 0.000 0.870 31 R HN 0.247 nan 8.270 nan 0.000 0.445 32 Y N 2.141 122.451 120.300 0.016 0.000 2.163 32 Y HA -0.216 4.334 4.550 -0.001 0.000 0.288 32 Y C 2.225 178.150 175.900 0.042 0.000 1.136 32 Y CA 1.684 59.793 58.100 0.015 0.000 1.147 32 Y CB -0.362 38.097 38.460 -0.001 0.000 0.987 32 Y HN -0.062 nan 8.280 nan 0.000 0.509 33 E N 0.470 120.621 120.200 -0.083 0.000 2.085 33 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 33 E C 2.228 178.763 176.600 -0.108 0.000 0.994 33 E CA 1.643 57.941 56.400 -0.171 0.000 0.801 33 E CB -0.625 29.053 29.700 -0.037 0.000 0.743 33 E HN 0.489 nan 8.360 nan 0.000 0.453 34 A N -0.384 122.420 122.820 -0.027 0.000 2.067 34 A HA -0.101 4.218 4.320 -0.001 0.000 0.219 34 A C 2.033 179.609 177.584 -0.014 0.000 1.158 34 A CA 1.521 53.552 52.037 -0.010 0.000 0.661 34 A CB -0.413 18.598 19.000 0.019 0.000 0.801 34 A HN 0.359 nan 8.150 nan 0.000 0.452 35 M N -0.357 119.233 119.600 -0.018 0.000 2.541 35 M HA 0.177 4.657 4.480 -0.001 0.000 0.252 35 M C 0.326 176.609 176.300 -0.029 0.000 1.125 35 M CA 0.531 55.834 55.300 0.005 0.000 1.091 35 M CB -0.173 32.470 32.600 0.072 0.000 1.420 35 M HN 0.131 nan 8.290 nan 0.000 0.486 36 K N 2.071 122.410 120.400 -0.101 0.000 2.270 36 K HA 0.287 4.606 4.320 -0.001 0.000 0.276 36 K C -2.172 174.394 176.600 -0.056 0.000 1.023 36 K CA -1.511 54.712 56.287 -0.106 0.000 0.955 36 K CB -0.060 32.327 32.500 -0.188 0.000 0.975 36 K HN 0.140 nan 8.250 nan 0.000 0.471 37 P HA 0.076 nan 4.420 nan 0.000 0.279 37 P C -0.944 176.353 177.300 -0.006 0.000 1.239 37 P CA -0.363 62.720 63.100 -0.028 0.000 0.789 37 P CB 0.862 32.549 31.700 -0.022 0.000 0.933 38 Q N 0.449 120.255 119.800 0.010 0.000 2.368 38 Q HA 0.200 4.540 4.340 -0.001 0.000 0.237 38 Q C 0.057 176.067 176.000 0.018 0.000 0.987 38 Q CA -0.460 55.362 55.803 0.031 0.000 0.896 38 Q CB 0.888 29.664 28.738 0.064 0.000 1.241 38 Q HN 0.565 nan 8.270 nan 0.000 0.485 39 C N 1.754 121.075 119.300 0.035 0.000 2.638 39 C HA 0.163 4.623 4.460 -0.001 0.000 0.410 39 C C 1.738 176.725 174.990 -0.006 0.000 1.404 39 C CA 0.094 59.140 59.018 0.047 0.000 1.651 39 C CB -0.975 26.830 27.740 0.108 0.000 2.495 39 C HN 0.978 nan 8.230 nan 0.000 0.606 40 G N 3.936 112.662 108.800 -0.123 0.000 2.484 40 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.218 40 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.218 40 G C 0.996 175.742 174.900 -0.257 0.000 1.130 40 G CA 0.512 45.479 45.100 -0.221 0.000 0.784 40 G HN 0.760 nan 8.290 nan 0.000 0.543 41 F N 1.607 121.544 119.950 -0.021 0.000 2.084 41 F HA 0.077 4.604 4.527 -0.000 0.000 0.296 41 F C 2.885 178.662 175.800 -0.037 0.000 1.111 41 F CA 1.054 59.032 58.000 -0.035 0.000 1.224 41 F CB -0.863 38.117 39.000 -0.033 0.000 0.991 41 F HN 0.148 nan 8.300 nan 0.000 0.471 42 G N -0.327 108.565 108.800 0.154 0.000 2.440 42 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.218 42 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.218 42 G C 1.535 176.448 174.900 0.022 0.000 1.154 42 G CA 0.978 46.119 45.100 0.070 0.000 0.767 42 G HN 0.373 nan 8.290 nan 0.000 0.552 43 E N -0.129 120.073 120.200 0.003 0.000 2.118 43 E HA -0.134 4.216 4.350 -0.001 0.000 0.195 43 E C 2.726 179.306 176.600 -0.034 0.000 0.992 43 E CA 1.556 57.944 56.400 -0.019 0.000 0.804 43 E CB -0.150 29.534 29.700 -0.028 0.000 0.741 43 E HN 0.623 nan 8.360 nan 0.000 0.458 44 T N -3.610 110.920 114.554 -0.040 0.000 3.081 44 T HA 0.267 4.617 4.350 -0.001 0.000 0.250 44 T C 1.478 176.153 174.700 -0.042 0.000 1.100 44 T CA 0.387 62.455 62.100 -0.053 0.000 1.038 44 T CB 0.741 69.558 68.868 -0.085 0.000 0.962 44 T HN 0.280 nan 8.240 nan 0.000 0.516 45 G N 1.576 110.364 108.800 -0.020 0.000 2.179 45 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.260 45 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.260 45 G C 0.256 175.150 174.900 -0.011 0.000 0.977 45 G CA 0.149 45.236 45.100 -0.021 0.000 0.641 45 G HN 0.589 nan 8.290 nan 0.000 0.533 46 L N 0.781 122.019 121.223 0.026 0.000 2.934 46 L HA 0.495 4.835 4.340 -0.001 0.000 0.233 46 L C 0.767 177.678 176.870 0.068 0.000 1.358 46 L CA -0.336 54.531 54.840 0.046 0.000 1.233 46 L CB 0.142 42.249 42.059 0.080 0.000 1.594 46 L HN 0.382 nan 8.230 nan 0.000 0.439 47 C N 0.032 119.337 119.300 0.008 0.000 2.783 47 C HA 0.702 5.162 4.460 -0.001 0.000 0.312 47 C C -0.673 174.272 174.990 -0.075 0.000 1.182 47 C CA -0.973 58.026 59.018 -0.031 0.000 1.432 47 C CB 1.319 29.066 27.740 0.012 0.000 1.933 47 C HN 0.653 nan 8.230 nan 0.000 0.473 48 C N 5.694 124.933 119.300 -0.102 0.000 2.535 48 C HA 0.736 5.196 4.460 -0.001 0.000 0.319 48 C C 0.206 175.159 174.990 -0.061 0.000 1.171 48 C CA -0.418 58.508 59.018 -0.152 0.000 1.394 48 C CB 0.854 28.453 27.740 -0.235 0.000 1.990 48 C HN 1.053 nan 8.230 nan 0.000 0.466 49 R N 2.749 123.276 120.500 0.045 0.000 2.690 49 R HA 0.221 4.561 4.340 -0.001 0.000 0.419 49 R C 0.673 177.092 176.300 0.199 0.000 1.090 49 R CA -0.193 55.962 56.100 0.092 0.000 1.064 49 R CB -0.123 30.216 30.300 0.066 0.000 1.391 49 R HN 0.815 nan 8.270 nan 0.000 0.586 50 H N -0.582 118.477 119.070 -0.017 0.000 2.556 50 H HA 0.055 4.611 4.556 -0.001 0.000 0.268 50 H C 0.868 176.190 175.328 -0.010 0.000 0.996 50 H CA 0.015 56.056 56.048 -0.011 0.000 1.157 50 H CB 0.314 30.072 29.762 -0.007 0.000 1.355 50 H HN 0.346 nan 8.280 nan 0.000 0.597 51 C N -2.057 117.304 119.300 0.100 0.000 3.320 51 C HA 0.278 4.738 4.460 -0.001 0.000 0.335 51 C C 1.014 176.018 174.990 0.024 0.000 1.430 51 C CA -1.018 58.029 59.018 0.048 0.000 1.271 51 C CB 0.556 28.320 27.740 0.040 0.000 1.609 51 C HN 0.225 nan 8.230 nan 0.000 0.457 52 L N 1.018 122.248 121.223 0.011 0.000 2.599 52 L HA 0.072 4.412 4.340 -0.001 0.000 0.230 52 L C 2.333 179.201 176.870 -0.003 0.000 1.141 52 L CA 0.647 55.489 54.840 0.002 0.000 0.877 52 L CB -0.537 41.522 42.059 -0.001 0.000 1.009 52 L HN 0.786 nan 8.230 nan 0.000 0.447 53 Q N 0.109 119.908 119.800 -0.003 0.000 2.378 53 Q HA 0.044 4.383 4.340 -0.001 0.000 0.205 53 Q C 1.430 177.418 176.000 -0.019 0.000 0.954 53 Q CA 0.438 56.234 55.803 -0.011 0.000 0.901 53 Q CB 0.149 28.881 28.738 -0.011 0.000 0.981 53 Q HN 0.534 nan 8.270 nan 0.000 0.483 54 G N 2.058 110.848 108.800 -0.017 0.000 2.553 54 G HA2 0.251 4.211 3.960 -0.001 0.000 0.278 54 G HA3 0.251 4.211 3.960 -0.001 0.000 0.278 54 G C -2.259 172.623 174.900 -0.030 0.000 1.349 54 G CA -0.881 44.202 45.100 -0.029 0.000 1.037 54 G HN 0.018 nan 8.290 nan 0.000 0.508 55 P HA 0.301 nan 4.420 nan 0.000 0.275 55 P C -0.705 176.541 177.300 -0.090 0.000 1.227 55 P CA -0.248 62.818 63.100 -0.057 0.000 0.781 55 P CB 0.961 32.624 31.700 -0.061 0.000 0.906 56 C N 3.579 122.820 119.300 -0.099 0.000 2.391 56 C HA 0.734 5.194 4.460 -0.001 0.000 0.339 56 C C 0.746 175.632 174.990 -0.172 0.000 1.205 56 C CA -0.304 58.640 59.018 -0.124 0.000 1.937 56 C CB 1.039 28.721 27.740 -0.097 0.000 2.341 56 C HN 0.735 nan 8.230 nan 0.000 0.516 57 R N 1.758 122.119 120.500 -0.231 0.000 2.764 57 R HA 0.861 5.201 4.340 -0.001 0.000 0.270 57 R C -2.068 174.118 176.300 -0.190 0.000 1.014 57 R CA -0.686 55.232 56.100 -0.303 0.000 0.904 57 R CB 1.166 30.985 30.300 -0.800 0.000 1.236 57 R HN 0.644 nan 8.270 nan 0.000 0.466 58 I N 1.252 121.797 120.570 -0.042 0.000 2.533 58 I HA 0.261 4.430 4.170 -0.001 0.000 0.290 58 I C -0.696 175.548 176.117 0.212 0.000 1.056 58 I CA -1.059 60.261 61.300 0.034 0.000 1.057 58 I CB 2.370 40.369 38.000 -0.003 0.000 1.240 58 I HN 0.662 nan 8.210 nan 0.000 0.423 59 N N 7.721 126.546 118.700 0.208 0.000 2.447 59 N HA 0.043 4.783 4.740 -0.001 0.000 0.263 59 N C -1.758 173.744 175.510 -0.015 0.000 1.226 59 N CA -0.914 52.265 53.050 0.215 0.000 0.906 59 N CB 0.665 39.245 38.487 0.154 0.000 1.060 59 N HN 0.383 nan 8.380 nan 0.000 0.468 60 P HA -0.127 nan 4.420 nan 0.000 0.216 60 P C -0.661 176.128 177.300 -0.851 0.000 1.153 60 P CA 1.436 64.239 63.100 -0.494 0.000 0.858 60 P CB 0.273 31.690 31.700 -0.473 0.000 0.789 61 F N -3.536 116.416 119.950 0.003 0.000 2.613 61 F HA 0.597 5.123 4.527 -0.000 0.000 0.310 61 F C 1.045 176.853 175.800 0.014 0.000 1.085 61 F CA -0.007 57.996 58.000 0.005 0.000 0.945 61 F CB 1.529 40.524 39.000 -0.008 0.000 1.298 61 F HN 0.049 nan 8.300 nan 0.000 0.455 62 G N 1.366 110.301 108.800 0.225 0.000 2.545 62 G HA2 -0.050 3.910 3.960 -0.001 0.000 0.211 62 G HA3 -0.050 3.910 3.960 -0.001 0.000 0.211 62 G C -1.187 173.767 174.900 0.090 0.000 1.167 62 G CA -0.339 44.840 45.100 0.130 0.000 1.151 62 G HN 0.554 nan 8.290 nan 0.000 0.581 63 D N 0.818 121.262 120.400 0.072 0.000 2.589 63 D HA 0.524 5.164 4.640 -0.001 0.000 0.268 63 D C 0.548 176.876 176.300 0.047 0.000 1.182 63 D CA -0.456 53.575 54.000 0.051 0.000 1.087 63 D CB 0.065 40.890 40.800 0.042 0.000 1.186 63 D HN 0.580 nan 8.370 nan 0.000 0.620 64 E N 0.937 121.156 120.200 0.032 0.000 2.418 64 E HA 0.131 4.481 4.350 -0.001 0.000 0.261 64 E C -1.941 174.674 176.600 0.026 0.000 1.070 64 E CA -0.912 55.500 56.400 0.021 0.000 0.931 64 E CB 0.161 29.867 29.700 0.009 0.000 0.954 64 E HN 0.164 nan 8.360 nan 0.000 0.439 65 P HA 0.068 nan 4.420 nan 0.000 0.276 65 P C -0.613 176.687 177.300 -0.000 0.000 1.230 65 P CA 0.067 63.160 63.100 -0.013 0.000 0.776 65 P CB 0.953 32.620 31.700 -0.054 0.000 0.888 66 K N 0.581 120.978 120.400 -0.007 0.000 2.391 66 K HA 0.281 4.601 4.320 -0.001 0.000 0.197 66 K C 0.296 176.884 176.600 -0.019 0.000 1.087 66 K CA 0.019 56.302 56.287 -0.007 0.000 1.012 66 K CB 0.988 33.488 32.500 0.000 0.000 0.925 66 K HN 0.246 nan 8.250 nan 0.000 0.547 67 V N -0.006 119.893 119.914 -0.026 0.000 3.120 67 V HA 0.530 4.649 4.120 -0.001 0.000 0.303 67 V C -0.844 175.225 176.094 -0.042 0.000 1.238 67 V CA -0.857 61.424 62.300 -0.032 0.000 1.008 67 V CB 1.736 33.545 31.823 -0.024 0.000 1.064 67 V HN 0.245 nan 8.190 nan 0.000 0.434 68 G N 3.344 112.115 108.800 -0.048 0.000 2.614 68 G HA2 0.288 4.247 3.960 -0.001 0.000 0.239 68 G HA3 0.288 4.247 3.960 -0.001 0.000 0.239 68 G C 0.879 175.753 174.900 -0.042 0.000 1.240 68 G CA 0.056 45.123 45.100 -0.055 0.000 0.842 68 G HN 0.861 nan 8.290 nan 0.000 0.584 69 I N 0.572 121.116 120.570 -0.042 0.000 2.286 69 I HA -0.235 3.935 4.170 -0.001 0.000 0.248 69 I C 2.774 178.878 176.117 -0.023 0.000 1.115 69 I CA 1.636 62.917 61.300 -0.032 0.000 1.392 69 I CB -0.167 37.814 38.000 -0.031 0.000 1.065 69 I HN 0.674 nan 8.210 nan 0.000 0.418 70 C N -0.068 119.219 119.300 -0.022 0.000 2.522 70 C HA 0.434 4.894 4.460 -0.001 0.000 0.271 70 C C 1.785 176.766 174.990 -0.015 0.000 1.425 70 C CA -0.036 58.973 59.018 -0.015 0.000 1.751 70 C CB -0.929 26.804 27.740 -0.010 0.000 1.775 70 C HN 0.726 nan 8.230 nan 0.000 0.557 71 G N 0.037 108.824 108.800 -0.021 0.000 2.179 71 G HA2 0.143 4.103 3.960 -0.001 0.000 0.220 71 G HA3 0.143 4.103 3.960 -0.001 0.000 0.220 71 G C 0.223 175.109 174.900 -0.024 0.000 0.990 71 G CA 0.106 45.195 45.100 -0.019 0.000 0.646 71 G HN 1.516 nan 8.290 nan 0.000 0.517 72 A N 1.324 124.125 122.820 -0.032 0.000 2.524 72 A HA 0.585 4.904 4.320 -0.001 0.000 0.250 72 A C 1.189 178.747 177.584 -0.042 0.000 1.078 72 A CA 1.368 53.381 52.037 -0.040 0.000 0.761 72 A CB -0.074 18.891 19.000 -0.057 0.000 1.012 72 A HN 1.796 nan 8.150 nan 0.000 0.500 73 T N 0.061 114.594 114.554 -0.036 0.000 2.788 73 T HA 0.482 4.832 4.350 -0.001 0.000 0.287 73 T C 1.487 176.161 174.700 -0.044 0.000 1.007 73 T CA -0.062 62.017 62.100 -0.034 0.000 1.005 73 T CB 0.960 69.813 68.868 -0.026 0.000 1.012 73 T HN 1.202 nan 8.240 nan 0.000 0.530 74 A N 0.580 123.374 122.820 -0.043 0.000 1.908 74 A HA -0.109 4.211 4.320 -0.001 0.000 0.218 74 A C 2.215 179.771 177.584 -0.047 0.000 1.181 74 A CA 1.883 53.890 52.037 -0.050 0.000 0.627 74 A CB -1.135 17.831 19.000 -0.057 0.000 0.818 74 A HN 0.897 nan 8.150 nan 0.000 0.445 75 E N -0.393 119.784 120.200 -0.038 0.000 2.085 75 E HA -0.109 4.241 4.350 -0.001 0.000 0.194 75 E C 2.018 178.600 176.600 -0.030 0.000 0.994 75 E CA 1.293 57.675 56.400 -0.030 0.000 0.801 75 E CB -0.554 29.134 29.700 -0.020 0.000 0.743 75 E HN 0.359 nan 8.360 nan 0.000 0.453 76 V N 0.541 120.434 119.914 -0.034 0.000 2.323 76 V HA -0.174 3.945 4.120 -0.001 0.000 0.244 76 V C 2.182 178.242 176.094 -0.057 0.000 1.041 76 V CA 1.318 63.597 62.300 -0.036 0.000 1.025 76 V CB -0.354 31.448 31.823 -0.034 0.000 0.656 76 V HN 0.225 nan 8.190 nan 0.000 0.451 77 I N -0.369 120.155 120.570 -0.077 0.000 2.179 77 I HA -0.212 3.957 4.170 -0.001 0.000 0.242 77 I C 2.387 178.448 176.117 -0.092 0.000 1.088 77 I CA 1.288 62.518 61.300 -0.117 0.000 1.357 77 I CB -0.354 37.578 38.000 -0.114 0.000 1.051 77 I HN 0.136 nan 8.210 nan 0.000 0.409 78 V N 0.974 120.850 119.914 -0.063 0.000 2.295 78 V HA -0.304 3.816 4.120 -0.001 0.000 0.246 78 V C 2.680 178.753 176.094 -0.035 0.000 1.049 78 V CA 2.084 64.355 62.300 -0.049 0.000 1.024 78 V CB -1.003 30.792 31.823 -0.047 0.000 0.648 78 V HN 0.504 nan 8.190 nan 0.000 0.447 79 A N -0.265 122.539 122.820 -0.026 0.000 1.933 79 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 79 A C 2.372 179.961 177.584 0.008 0.000 1.175 79 A CA 1.630 53.662 52.037 -0.008 0.000 0.628 79 A CB -0.462 18.536 19.000 -0.003 0.000 0.814 79 A HN 0.507 nan 8.150 nan 0.000 0.444 80 R N -0.897 119.605 120.500 0.004 0.000 2.073 80 R HA -0.101 4.238 4.340 -0.001 0.000 0.234 80 R C 2.441 178.805 176.300 0.107 0.000 1.134 80 R CA 1.177 57.311 56.100 0.057 0.000 0.952 80 R CB -0.707 29.613 30.300 0.034 0.000 0.850 80 R HN 0.526 nan 8.270 nan 0.000 0.433 81 G N 1.570 110.400 108.800 0.050 0.000 2.446 81 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.217 81 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.217 81 G C 1.358 176.282 174.900 0.039 0.000 1.168 81 G CA 0.472 45.612 45.100 0.066 0.000 0.771 81 G HN 0.164 nan 8.290 nan 0.000 0.551 82 L N 0.924 122.153 121.223 0.011 0.000 2.017 82 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 82 L C 2.198 179.082 176.870 0.024 0.000 1.073 82 L CA 2.276 57.116 54.840 -0.001 0.000 0.745 82 L CB -0.613 41.435 42.059 -0.018 0.000 0.894 82 L HN 0.092 nan 8.230 nan 0.000 0.432 83 D N -0.586 119.837 120.400 0.038 0.000 2.123 83 D HA -0.173 4.467 4.640 -0.001 0.000 0.196 83 D C 2.349 178.677 176.300 0.046 0.000 0.992 83 D CA 1.206 55.235 54.000 0.048 0.000 0.833 83 D CB -0.091 40.739 40.800 0.049 0.000 0.954 83 D HN 0.339 nan 8.370 nan 0.000 0.455 84 R N 0.258 120.787 120.500 0.049 0.000 2.120 84 R HA -0.020 4.320 4.340 -0.001 0.000 0.234 84 R C 2.360 178.669 176.300 0.016 0.000 1.123 84 R CA 0.980 57.096 56.100 0.027 0.000 0.975 84 R CB -0.157 30.154 30.300 0.018 0.000 0.866 84 R HN 0.070 nan 8.270 nan 0.000 0.446 85 S N 1.139 116.848 115.700 0.015 0.000 2.368 85 S HA -0.102 4.368 4.470 -0.001 0.000 0.225 85 S C 1.985 176.601 174.600 0.026 0.000 1.030 85 S CA 1.088 59.288 58.200 0.001 0.000 0.999 85 S CB -0.163 63.030 63.200 -0.012 0.000 0.844 85 S HN 0.220 nan 8.310 nan 0.000 0.459 86 I N 1.775 122.373 120.570 0.047 0.000 2.226 86 I HA -0.212 3.958 4.170 -0.001 0.000 0.245 86 I C 2.726 178.895 176.117 0.086 0.000 1.100 86 I CA 1.111 62.459 61.300 0.081 0.000 1.374 86 I CB -0.523 37.534 38.000 0.094 0.000 1.057 86 I HN 0.267 nan 8.210 nan 0.000 0.413 87 A N 0.787 123.644 122.820 0.063 0.000 1.902 87 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 87 A C 2.550 180.163 177.584 0.048 0.000 1.181 87 A CA 1.949 54.020 52.037 0.057 0.000 0.623 87 A CB -0.876 18.145 19.000 0.036 0.000 0.818 87 A HN 0.435 nan 8.150 nan 0.000 0.443 88 A N -0.474 122.363 122.820 0.029 0.000 1.877 88 A HA 0.120 4.440 4.320 -0.001 0.000 0.216 88 A C 2.445 180.048 177.584 0.032 0.000 1.186 88 A CA 1.990 54.035 52.037 0.014 0.000 0.620 88 A CB -1.466 17.526 19.000 -0.014 0.000 0.822 88 A HN 0.745 nan 8.150 nan 0.000 0.443 89 G N -0.380 108.451 108.800 0.052 0.000 2.459 89 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.217 89 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.217 89 G C 1.794 176.722 174.900 0.047 0.000 1.183 89 G CA 1.690 46.820 45.100 0.050 0.000 0.776 89 G HN 0.870 nan 8.290 nan 0.000 0.552 90 A N 1.102 124.002 122.820 0.133 0.000 1.948 90 A HA 0.163 4.483 4.320 -0.001 0.000 0.220 90 A C 2.795 180.458 177.584 0.132 0.000 1.177 90 A CA 2.483 54.623 52.037 0.173 0.000 0.636 90 A CB -0.750 18.339 19.000 0.149 0.000 0.815 90 A HN 0.889 nan 8.150 nan 0.000 0.449 91 A N -0.737 122.130 122.820 0.079 0.000 1.969 91 A HA 0.200 4.520 4.320 -0.001 0.000 0.218 91 A C 2.350 179.945 177.584 0.018 0.000 1.169 91 A CA 1.765 53.838 52.037 0.059 0.000 0.635 91 A CB -1.180 17.836 19.000 0.026 0.000 0.810 91 A HN 0.675 nan 8.150 nan 0.000 0.445 92 G N -1.054 107.723 108.800 -0.038 0.000 2.414 92 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.215 92 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.215 92 G C 1.397 176.271 174.900 -0.044 0.000 1.188 92 G CA 1.120 46.146 45.100 -0.124 0.000 0.783 92 G HN 0.732 nan 8.290 nan 0.000 0.537 93 H N 0.382 119.488 119.070 0.060 0.000 2.423 93 H HA -0.042 4.513 4.556 -0.001 0.000 0.297 93 H C 2.949 178.353 175.328 0.126 0.000 1.075 93 H CA 1.321 57.410 56.048 0.067 0.000 1.342 93 H CB 0.288 30.088 29.762 0.063 0.000 1.395 93 H HN 0.540 nan 8.280 nan 0.000 0.530 94 S N -0.292 115.572 115.700 0.273 0.000 2.414 94 S HA -0.040 4.429 4.470 -0.001 0.000 0.227 94 S C 2.403 177.191 174.600 0.313 0.000 1.022 94 S CA 0.618 59.033 58.200 0.359 0.000 0.958 94 S CB -0.418 63.022 63.200 0.401 0.000 0.797 94 S HN 0.448 nan 8.310 nan 0.000 0.493 95 G N 1.088 109.973 108.800 0.143 0.000 2.421 95 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.216 95 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.216 95 G C 1.255 176.233 174.900 0.130 0.000 1.171 95 G CA 1.065 46.173 45.100 0.014 0.000 0.775 95 G HN 0.759 nan 8.290 nan 0.000 0.543 96 H N 0.760 119.897 119.070 0.112 0.000 2.289 96 H HA -0.016 4.540 4.556 -0.001 0.000 0.296 96 H C 2.801 178.280 175.328 0.252 0.000 1.091 96 H CA 1.880 58.108 56.048 0.301 0.000 1.274 96 H CB -0.082 29.870 29.762 0.317 0.000 1.364 96 H HN 0.320 nan 8.280 nan 0.000 0.490 97 A N 0.848 123.942 122.820 0.456 0.000 1.902 97 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 97 A C 2.316 180.025 177.584 0.209 0.000 1.181 97 A CA 1.797 54.013 52.037 0.299 0.000 0.623 97 A CB -0.649 18.467 19.000 0.193 0.000 0.818 97 A HN 0.523 nan 8.150 nan 0.000 0.443 98 K N -1.158 119.348 120.400 0.176 0.000 2.057 98 K HA -0.245 4.074 4.320 -0.001 0.000 0.207 98 K C 1.967 178.615 176.600 0.079 0.000 1.049 98 K CA 1.725 57.955 56.287 -0.095 0.000 0.931 98 K CB -0.385 31.896 32.500 -0.365 0.000 0.714 98 K HN 0.802 nan 8.250 nan 0.000 0.440 99 H N 0.130 119.251 119.070 0.084 0.000 2.289 99 H HA -0.165 4.391 4.556 -0.000 0.000 0.296 99 H C 2.168 177.547 175.328 0.085 0.000 1.091 99 H CA 1.825 57.949 56.048 0.126 0.000 1.274 99 H CB 0.032 29.886 29.762 0.154 0.000 1.364 99 H HN 0.147 nan 8.280 nan 0.000 0.490 100 L N 0.045 121.356 121.223 0.147 0.000 2.046 100 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 100 L C 3.008 179.881 176.870 0.004 0.000 1.077 100 L CA 0.859 55.720 54.840 0.036 0.000 0.747 100 L CB -0.424 41.684 42.059 0.081 0.000 0.896 100 L HN 0.409 nan 8.230 nan 0.000 0.432 101 A N -0.839 121.964 122.820 -0.028 0.000 1.877 101 A HA -0.240 4.080 4.320 -0.001 0.000 0.216 101 A C 2.129 179.640 177.584 -0.121 0.000 1.186 101 A CA 1.526 53.494 52.037 -0.115 0.000 0.620 101 A CB -0.762 18.114 19.000 -0.206 0.000 0.822 101 A HN 0.433 nan 8.150 nan 0.000 0.443 102 H N -0.522 118.554 119.070 0.010 0.000 2.423 102 H HA -0.054 4.501 4.556 -0.001 0.000 0.297 102 H C 2.238 177.558 175.328 -0.014 0.000 1.075 102 H CA 1.748 57.798 56.048 0.003 0.000 1.342 102 H CB -0.532 29.234 29.762 0.006 0.000 1.395 102 H HN 0.463 nan 8.280 nan 0.000 0.530 103 T N 1.746 116.346 114.554 0.076 0.000 2.737 103 T HA -0.109 4.241 4.350 -0.001 0.000 0.265 103 T C 2.211 176.853 174.700 -0.096 0.000 1.038 103 T CA 0.815 62.862 62.100 -0.088 0.000 1.144 103 T CB -0.380 68.352 68.868 -0.227 0.000 0.866 103 T HN 0.076 nan 8.240 nan 0.000 0.434 104 L N 1.568 122.753 121.223 -0.064 0.000 2.017 104 L HA -0.005 4.335 4.340 -0.001 0.000 0.208 104 L C 2.350 179.218 176.870 -0.002 0.000 1.073 104 L CA 1.899 56.714 54.840 -0.041 0.000 0.745 104 L CB -0.632 41.406 42.059 -0.034 0.000 0.894 104 L HN 0.095 nan 8.230 nan 0.000 0.432 105 K N -0.451 119.956 120.400 0.013 0.000 2.020 105 K HA -0.258 4.061 4.320 -0.001 0.000 0.212 105 K C 2.190 178.815 176.600 0.041 0.000 1.050 105 K CA 2.050 58.358 56.287 0.035 0.000 0.929 105 K CB -0.112 32.423 32.500 0.059 0.000 0.714 105 K HN 0.311 nan 8.250 nan 0.000 0.443 106 K N -0.081 120.345 120.400 0.043 0.000 2.063 106 K HA -0.150 4.169 4.320 -0.001 0.000 0.208 106 K C 2.165 178.795 176.600 0.050 0.000 1.048 106 K CA 1.337 57.649 56.287 0.042 0.000 0.928 106 K CB -0.202 32.317 32.500 0.032 0.000 0.713 106 K HN 0.242 nan 8.250 nan 0.000 0.442 107 A N 1.147 123.997 122.820 0.050 0.000 1.865 107 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 107 A C 2.335 179.957 177.584 0.063 0.000 1.191 107 A CA 2.133 54.222 52.037 0.087 0.000 0.623 107 A CB -0.893 18.167 19.000 0.100 0.000 0.826 107 A HN 0.231 nan 8.150 nan 0.000 0.444 108 V N -2.977 116.964 119.914 0.045 0.000 3.217 108 V HA -0.066 4.054 4.120 -0.001 0.000 0.264 108 V C 1.615 177.730 176.094 0.035 0.000 1.135 108 V CA 1.729 64.052 62.300 0.038 0.000 1.142 108 V CB -0.814 31.028 31.823 0.031 0.000 0.754 108 V HN 0.589 nan 8.190 nan 0.000 0.484 109 Q N 1.018 120.840 119.800 0.037 0.000 2.403 109 Q HA 0.331 4.670 4.340 -0.001 0.000 0.203 109 Q C 1.637 177.657 176.000 0.033 0.000 0.932 109 Q CA 0.519 56.342 55.803 0.033 0.000 0.945 109 Q CB 0.468 29.226 28.738 0.034 0.000 1.045 109 Q HN 0.910 nan 8.270 nan 0.000 0.511 110 G N 1.497 110.320 108.800 0.039 0.000 2.136 110 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.242 110 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.242 110 G C 0.592 175.516 174.900 0.040 0.000 0.989 110 G CA 0.456 45.578 45.100 0.038 0.000 0.682 110 G HN 0.311 nan 8.290 nan 0.000 0.522 111 K N -0.316 120.112 120.400 0.046 0.000 2.353 111 K HA 0.567 4.887 4.320 -0.001 0.000 0.195 111 K C 0.911 177.549 176.600 0.062 0.000 1.031 111 K CA 0.723 57.035 56.287 0.043 0.000 1.079 111 K CB 0.923 33.444 32.500 0.034 0.000 0.857 111 K HN 0.796 nan 8.250 nan 0.000 0.535 112 A N 0.623 123.501 122.820 0.097 0.000 3.158 112 A HA 0.518 4.837 4.320 -0.001 0.000 0.302 112 A C 0.391 178.099 177.584 0.207 0.000 1.162 112 A CA -0.475 51.667 52.037 0.175 0.000 0.824 112 A CB 0.504 19.636 19.000 0.220 0.000 1.322 112 A HN 0.120 nan 8.150 nan 0.000 0.510 113 A N 0.208 123.095 122.820 0.111 0.000 2.121 113 A HA 0.059 4.379 4.320 -0.001 0.000 0.218 113 A C 1.933 179.534 177.584 0.028 0.000 1.154 113 A CA 1.968 54.045 52.037 0.066 0.000 0.679 113 A CB -0.297 18.721 19.000 0.031 0.000 0.795 113 A HN 0.792 nan 8.150 nan 0.000 0.458 114 S N -1.303 114.391 115.700 -0.010 0.000 2.507 114 S HA 0.045 4.515 4.470 -0.001 0.000 0.235 114 S C -0.057 174.310 174.600 -0.388 0.000 0.988 114 S CA 0.584 58.648 58.200 -0.226 0.000 0.944 114 S CB -0.324 62.653 63.200 -0.372 0.000 0.762 114 S HN 0.626 nan 8.310 nan 0.000 0.526 115 Y N 0.820 121.165 120.300 0.076 0.000 2.509 115 Y HA 0.724 5.273 4.550 -0.000 0.000 0.341 115 Y C 0.077 175.986 175.900 0.015 0.000 1.038 115 Y CA -1.282 56.855 58.100 0.062 0.000 1.089 115 Y CB 1.191 39.688 38.460 0.061 0.000 1.241 115 Y HN 0.029 nan 8.280 nan 0.000 0.468 116 M N 0.578 120.255 119.600 0.129 0.000 2.833 116 M HA 0.542 5.022 4.480 -0.001 0.000 0.270 116 M C -2.095 174.211 176.300 0.010 0.000 1.209 116 M CA -0.819 54.516 55.300 0.059 0.000 0.826 116 M CB 1.819 34.445 32.600 0.044 0.000 1.657 116 M HN 0.511 nan 8.290 nan 0.000 0.492 117 I N 2.573 123.152 120.570 0.015 0.000 2.389 117 I HA 0.126 4.296 4.170 -0.001 0.000 0.295 117 I C 0.883 177.008 176.117 0.013 0.000 1.117 117 I CA 0.020 61.325 61.300 0.008 0.000 1.317 117 I CB 0.358 38.378 38.000 0.034 0.000 1.431 117 I HN 0.704 nan 8.210 nan 0.000 0.521 118 K N 2.941 123.341 120.400 0.000 0.000 2.202 118 K HA 0.023 4.342 4.320 -0.001 0.000 0.201 118 K C 0.368 176.983 176.600 0.025 0.000 1.051 118 K CA 0.585 56.886 56.287 0.023 0.000 0.977 118 K CB 0.269 32.797 32.500 0.047 0.000 0.792 118 K HN 0.485 nan 8.250 nan 0.000 0.469 119 D N 1.108 121.522 120.400 0.022 0.000 2.477 119 D HA 0.082 4.722 4.640 -0.001 0.000 0.239 119 D C 0.522 176.848 176.300 0.044 0.000 1.102 119 D CA -0.077 53.940 54.000 0.028 0.000 0.901 119 D CB 0.787 41.606 40.800 0.031 0.000 1.026 119 D HN -0.043 nan 8.370 nan 0.000 0.515 120 R N 1.525 122.046 120.500 0.035 0.000 2.092 120 R HA -0.091 4.248 4.340 -0.001 0.000 0.231 120 R C 1.352 177.683 176.300 0.051 0.000 1.119 120 R CA 1.371 57.504 56.100 0.055 0.000 0.970 120 R CB 0.294 30.585 30.300 -0.016 0.000 0.864 120 R HN 0.248 nan 8.270 nan 0.000 0.440 121 T N 0.766 115.318 114.554 -0.003 0.000 2.708 121 T HA -0.152 4.197 4.350 -0.001 0.000 0.266 121 T C 1.618 176.359 174.700 0.069 0.000 1.037 121 T CA 1.671 63.771 62.100 -0.001 0.000 1.146 121 T CB -0.133 68.729 68.868 -0.011 0.000 0.865 121 T HN 0.197 nan 8.240 nan 0.000 0.435 122 K N 0.942 121.382 120.400 0.067 0.000 2.032 122 K HA -0.062 4.258 4.320 -0.001 0.000 0.209 122 K C 2.103 178.768 176.600 0.108 0.000 1.048 122 K CA 0.983 57.319 56.287 0.080 0.000 0.927 122 K CB -0.710 31.831 32.500 0.068 0.000 0.712 122 K HN 0.181 nan 8.250 nan 0.000 0.441 123 L N 0.823 122.122 121.223 0.127 0.000 1.990 123 L HA -0.236 4.103 4.340 -0.001 0.000 0.213 123 L C 2.056 178.996 176.870 0.118 0.000 1.072 123 L CA 2.033 56.951 54.840 0.129 0.000 0.755 123 L CB -0.806 41.343 42.059 0.150 0.000 0.889 123 L HN 0.413 nan 8.230 nan 0.000 0.432 124 H N -0.963 118.118 119.070 0.018 0.000 2.353 124 H HA -0.088 4.467 4.556 -0.001 0.000 0.300 124 H C 2.324 177.652 175.328 0.000 0.000 1.090 124 H CA 1.523 57.575 56.048 0.008 0.000 1.327 124 H CB -0.004 29.761 29.762 0.005 0.000 1.383 124 H HN 0.592 nan 8.280 nan 0.000 0.508 125 S N 0.747 116.522 115.700 0.126 0.000 2.383 125 S HA -0.096 4.374 4.470 -0.001 0.000 0.227 125 S C 2.228 176.838 174.600 0.017 0.000 1.026 125 S CA 0.713 58.948 58.200 0.059 0.000 0.981 125 S CB -0.623 62.610 63.200 0.056 0.000 0.818 125 S HN 0.255 nan 8.310 nan 0.000 0.472 126 I N 2.636 123.225 120.570 0.031 0.000 2.142 126 I HA -0.174 3.996 4.170 -0.001 0.000 0.240 126 I C 3.117 179.188 176.117 -0.077 0.000 1.078 126 I CA 1.167 62.462 61.300 -0.007 0.000 1.343 126 I CB -0.802 37.248 38.000 0.084 0.000 1.046 126 I HN 0.394 nan 8.210 nan 0.000 0.405 127 A N 0.781 123.571 122.820 -0.050 0.000 1.903 127 A HA -0.335 3.984 4.320 -0.001 0.000 0.219 127 A C 2.375 179.901 177.584 -0.096 0.000 1.191 127 A CA 2.446 54.433 52.037 -0.085 0.000 0.638 127 A CB -0.711 18.219 19.000 -0.117 0.000 0.823 127 A HN 0.397 nan 8.150 nan 0.000 0.451 128 K N -0.792 119.566 120.400 -0.070 0.000 2.057 128 K HA -0.151 4.168 4.320 -0.001 0.000 0.207 128 K C 2.356 178.899 176.600 -0.095 0.000 1.049 128 K CA 1.461 57.710 56.287 -0.063 0.000 0.931 128 K CB -0.192 32.293 32.500 -0.026 0.000 0.714 128 K HN 0.431 nan 8.250 nan 0.000 0.440 129 R N 0.431 120.859 120.500 -0.120 0.000 2.120 129 R HA -0.066 4.273 4.340 -0.001 0.000 0.234 129 R C 2.015 178.171 176.300 -0.240 0.000 1.123 129 R CA 1.198 57.193 56.100 -0.175 0.000 0.975 129 R CB -0.085 30.093 30.300 -0.204 0.000 0.866 129 R HN 0.254 nan 8.270 nan 0.000 0.446 130 L N -1.066 119.998 121.223 -0.265 0.000 2.418 130 L HA 0.145 4.484 4.340 -0.001 0.000 0.218 130 L C 1.202 177.961 176.870 -0.186 0.000 1.125 130 L CA 0.665 55.326 54.840 -0.299 0.000 0.835 130 L CB 0.266 42.124 42.059 -0.335 0.000 0.953 130 L HN 0.537 nan 8.230 nan 0.000 0.454 131 G N 0.758 109.474 108.800 -0.139 0.000 2.131 131 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.223 131 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.223 131 G C 0.106 174.958 174.900 -0.079 0.000 0.990 131 G CA -0.412 44.630 45.100 -0.098 0.000 0.671 131 G HN 0.239 nan 8.290 nan 0.000 0.521 132 I N 2.602 123.121 120.570 -0.084 0.000 2.325 132 I HA 0.280 4.449 4.170 -0.001 0.000 0.291 132 I C -1.612 174.465 176.117 -0.067 0.000 1.019 132 I CA -2.266 58.994 61.300 -0.068 0.000 1.302 132 I CB 1.173 39.133 38.000 -0.066 0.000 1.401 132 I HN -0.106 nan 8.210 nan 0.000 0.485 133 P HA 0.033 nan 4.420 nan 0.000 0.268 133 P C 0.499 177.759 177.300 -0.066 0.000 1.204 133 P CA -0.020 63.052 63.100 -0.047 0.000 0.768 133 P CB 0.722 32.403 31.700 -0.032 0.000 0.842 134 T N -1.622 112.893 114.554 -0.065 0.000 3.026 134 T HA -0.010 4.340 4.350 -0.001 0.000 0.245 134 T C 0.567 175.260 174.700 -0.012 0.000 1.004 134 T CA -0.228 61.816 62.100 -0.095 0.000 1.069 134 T CB -0.447 68.338 68.868 -0.138 0.000 1.005 134 T HN 0.444 nan 8.240 nan 0.000 0.472 135 E N 3.037 123.243 120.200 0.010 0.000 2.905 135 E HA 0.175 4.524 4.350 -0.001 0.000 0.240 135 E C 1.169 177.778 176.600 0.016 0.000 0.990 135 E CA 0.812 57.226 56.400 0.022 0.000 0.954 135 E CB -0.794 28.914 29.700 0.013 0.000 0.908 135 E HN 0.803 nan 8.360 nan 0.000 0.532 136 G N 3.019 111.835 108.800 0.027 0.000 2.148 136 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.254 136 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.254 136 G C -0.100 174.810 174.900 0.018 0.000 0.981 136 G CA 0.317 45.429 45.100 0.021 0.000 0.670 136 G HN 0.554 nan 8.290 nan 0.000 0.528 137 Q N -0.197 119.613 119.800 0.017 0.000 2.274 137 Q HA 0.516 4.856 4.340 -0.001 0.000 0.260 137 Q C 0.249 176.262 176.000 0.021 0.000 0.974 137 Q CA -0.733 55.073 55.803 0.005 0.000 0.876 137 Q CB 1.634 30.357 28.738 -0.025 0.000 1.297 137 Q HN 0.390 nan 8.270 nan 0.000 0.446 138 K N 1.419 121.830 120.400 0.018 0.000 2.401 138 K HA -0.030 4.290 4.320 -0.001 0.000 0.278 138 K C 0.447 177.065 176.600 0.030 0.000 1.018 138 K CA -0.112 56.193 56.287 0.030 0.000 0.981 138 K CB 0.555 33.069 32.500 0.022 0.000 0.933 138 K HN 0.391 nan 8.250 nan 0.000 0.477 139 D N 2.980 123.419 120.400 0.065 0.000 2.133 139 D HA -0.175 4.465 4.640 -0.001 0.000 0.195 139 D C 1.136 177.456 176.300 0.034 0.000 0.997 139 D CA 1.602 55.649 54.000 0.078 0.000 0.840 139 D CB 0.211 41.085 40.800 0.124 0.000 0.947 139 D HN 0.552 nan 8.370 nan 0.000 0.452 140 E N 0.509 120.728 120.200 0.033 0.000 2.153 140 E HA -0.119 4.231 4.350 -0.001 0.000 0.194 140 E C 1.585 178.194 176.600 0.016 0.000 0.988 140 E CA 0.908 57.323 56.400 0.026 0.000 0.811 140 E CB -0.016 29.701 29.700 0.027 0.000 0.746 140 E HN 0.290 nan 8.360 nan 0.000 0.466 141 D N -0.184 120.221 120.400 0.008 0.000 2.162 141 D HA -0.036 4.604 4.640 -0.001 0.000 0.203 141 D C 1.942 178.234 176.300 -0.013 0.000 0.967 141 D CA 0.590 54.590 54.000 0.001 0.000 0.840 141 D CB -0.035 40.765 40.800 0.000 0.000 0.972 141 D HN 0.209 nan 8.370 nan 0.000 0.482 142 I N 1.428 121.976 120.570 -0.038 0.000 2.179 142 I HA -0.235 3.935 4.170 -0.001 0.000 0.242 142 I C 2.515 178.609 176.117 -0.037 0.000 1.088 142 I CA 1.046 62.301 61.300 -0.076 0.000 1.357 142 I CB -0.175 37.711 38.000 -0.190 0.000 1.051 142 I HN -0.089 nan 8.210 nan 0.000 0.409 143 A N 0.564 123.375 122.820 -0.014 0.000 1.902 143 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 143 A C 2.245 179.844 177.584 0.024 0.000 1.181 143 A CA 1.402 53.447 52.037 0.014 0.000 0.623 143 A CB -0.795 18.218 19.000 0.021 0.000 0.818 143 A HN 0.374 nan 8.150 nan 0.000 0.443 144 L N -0.131 121.104 121.223 0.020 0.000 2.042 144 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 144 L C 2.147 179.037 176.870 0.033 0.000 1.076 144 L CA 2.284 57.140 54.840 0.026 0.000 0.749 144 L CB -0.562 41.511 42.059 0.023 0.000 0.893 144 L HN 0.342 nan 8.230 nan 0.000 0.432 145 E N -0.656 119.558 120.200 0.025 0.000 2.106 145 E HA -0.127 4.223 4.350 -0.001 0.000 0.192 145 E C 2.350 178.986 176.600 0.060 0.000 0.984 145 E CA 1.357 57.776 56.400 0.031 0.000 0.806 145 E CB -0.503 29.201 29.700 0.006 0.000 0.750 145 E HN 0.423 nan 8.360 nan 0.000 0.458 146 V N 1.593 121.548 119.914 0.068 0.000 2.295 146 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 146 V C 2.443 178.642 176.094 0.175 0.000 1.049 146 V CA 1.800 64.186 62.300 0.144 0.000 1.024 146 V CB -0.875 31.027 31.823 0.132 0.000 0.648 146 V HN 0.242 nan 8.190 nan 0.000 0.447 147 A N -0.284 122.590 122.820 0.091 0.000 1.908 147 A HA -0.261 4.059 4.320 -0.001 0.000 0.218 147 A C 2.286 179.897 177.584 0.045 0.000 1.181 147 A CA 2.103 54.164 52.037 0.042 0.000 0.627 147 A CB -0.451 18.557 19.000 0.014 0.000 0.818 147 A HN 0.550 nan 8.150 nan 0.000 0.445 148 K N -0.397 120.043 120.400 0.066 0.000 2.057 148 K HA -0.042 4.278 4.320 -0.001 0.000 0.207 148 K C 2.314 178.980 176.600 0.111 0.000 1.049 148 K CA 1.104 57.438 56.287 0.077 0.000 0.931 148 K CB -0.319 32.223 32.500 0.070 0.000 0.714 148 K HN 0.445 nan 8.250 nan 0.000 0.440 149 A N 1.531 124.441 122.820 0.150 0.000 1.902 149 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 149 A C 2.367 180.143 177.584 0.319 0.000 1.181 149 A CA 1.827 53.996 52.037 0.220 0.000 0.623 149 A CB -0.752 18.389 19.000 0.235 0.000 0.818 149 A HN 0.333 nan 8.150 nan 0.000 0.443 150 A N 0.002 122.969 122.820 0.245 0.000 1.859 150 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 150 A C 2.174 179.806 177.584 0.079 0.000 1.198 150 A CA 1.707 53.664 52.037 -0.132 0.000 0.629 150 A CB -0.803 18.023 19.000 -0.290 0.000 0.830 150 A HN 0.486 nan 8.150 nan 0.000 0.446 151 L N -0.893 120.401 121.223 0.118 0.000 2.131 151 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 151 L C 3.023 180.049 176.870 0.260 0.000 1.092 151 L CA 0.960 55.922 54.840 0.204 0.000 0.759 151 L CB -0.524 41.549 42.059 0.024 0.000 0.903 151 L HN 0.468 nan 8.230 nan 0.000 0.435 152 A N -0.573 122.308 122.820 0.102 0.000 2.015 152 A HA -0.211 4.109 4.320 -0.001 0.000 0.219 152 A C 1.797 179.145 177.584 -0.393 0.000 1.163 152 A CA 1.639 53.580 52.037 -0.160 0.000 0.646 152 A CB -0.419 18.571 19.000 -0.018 0.000 0.806 152 A HN 0.292 nan 8.150 nan 0.000 0.448 153 D N -1.185 119.129 120.400 -0.144 0.000 2.378 153 D HA -0.037 4.603 4.640 -0.001 0.000 0.222 153 D C 0.963 177.057 176.300 -0.343 0.000 0.980 153 D CA 0.677 54.544 54.000 -0.222 0.000 0.907 153 D CB -0.302 40.400 40.800 -0.162 0.000 0.899 153 D HN 0.532 nan 8.370 nan 0.000 0.527 154 F N -0.494 119.362 119.950 -0.156 0.000 2.615 154 F HA 0.065 4.592 4.527 -0.001 0.000 0.297 154 F C 0.973 176.804 175.800 0.052 0.000 1.124 154 F CA 0.330 58.315 58.000 -0.025 0.000 1.451 154 F CB 0.011 39.032 39.000 0.036 0.000 1.103 154 F HN 0.051 nan 8.300 nan 0.000 0.569 155 H N -3.063 116.114 119.070 0.179 0.000 2.907 155 H HA 0.511 5.067 4.556 -0.001 0.000 0.361 155 H C -0.639 174.707 175.328 0.030 0.000 1.194 155 H CA -1.544 54.578 56.048 0.125 0.000 1.152 155 H CB 0.190 30.025 29.762 0.121 0.000 1.867 155 H HN -0.093 nan 8.280 nan 0.000 0.561 156 E N 0.736 121.023 120.200 0.145 0.000 2.415 156 E HA 0.204 4.553 4.350 -0.001 0.000 0.262 156 E C -0.318 176.373 176.600 0.150 0.000 1.038 156 E CA 0.119 56.521 56.400 0.004 0.000 0.921 156 E CB 0.647 30.291 29.700 -0.092 0.000 0.950 156 E HN 0.720 nan 8.360 nan 0.000 0.438 157 K N 0.404 120.828 120.400 0.039 0.000 2.491 157 K HA 0.122 4.442 4.320 -0.001 0.000 0.275 157 K C -0.432 176.172 176.600 0.007 0.000 0.982 157 K CA -0.625 55.698 56.287 0.060 0.000 0.794 157 K CB 0.131 32.667 32.500 0.060 0.000 1.488 157 K HN 0.309 nan 8.250 nan 0.000 0.360 158 D N 0.177 120.582 120.400 0.008 0.000 2.347 158 D HA -0.048 4.592 4.640 -0.001 0.000 0.215 158 D C 0.199 176.486 176.300 -0.022 0.000 0.976 158 D CA 0.743 54.740 54.000 -0.006 0.000 0.884 158 D CB -0.213 40.586 40.800 -0.001 0.000 0.915 158 D HN 0.599 nan 8.370 nan 0.000 0.526 159 T N -2.798 111.738 114.554 -0.030 0.000 2.908 159 T HA 0.573 4.923 4.350 -0.001 0.000 0.290 159 T C -2.793 171.874 174.700 -0.056 0.000 1.034 159 T CA -1.837 60.236 62.100 -0.044 0.000 1.010 159 T CB 2.711 71.549 68.868 -0.050 0.000 1.068 159 T HN -0.227 nan 8.240 nan 0.000 0.481 160 P HA 0.208 nan 4.420 nan 0.000 0.286 160 P C -0.168 177.090 177.300 -0.070 0.000 1.293 160 P CA -0.547 62.515 63.100 -0.063 0.000 0.770 160 P CB 0.270 31.936 31.700 -0.056 0.000 1.206 161 V N 1.731 121.603 119.914 -0.069 0.000 2.420 161 V HA -0.075 4.045 4.120 -0.001 0.000 0.274 161 V C 2.088 178.144 176.094 -0.063 0.000 1.003 161 V CA 0.540 62.801 62.300 -0.064 0.000 1.092 161 V CB -0.959 30.820 31.823 -0.072 0.000 1.002 161 V HN 0.402 nan 8.190 nan 0.000 0.473 162 L N 4.350 125.540 121.223 -0.055 0.000 2.131 162 L HA -0.102 4.238 4.340 -0.001 0.000 0.210 162 L C 1.919 178.639 176.870 -0.251 0.000 1.092 162 L CA 1.509 56.250 54.840 -0.166 0.000 0.759 162 L CB -0.167 41.756 42.059 -0.227 0.000 0.903 162 L HN 0.684 nan 8.230 nan 0.000 0.435 163 W N -0.344 120.818 121.300 -0.230 0.000 3.077 163 W HA 0.009 4.668 4.660 -0.001 0.000 0.245 163 W C 1.649 177.970 176.519 -0.330 0.000 1.316 163 W CA 0.325 57.494 57.345 -0.294 0.000 1.537 163 W CB 0.215 29.536 29.460 -0.232 0.000 1.131 163 W HN 0.050 nan 8.180 nan 0.000 0.695 164 V N -0.470 119.374 119.914 -0.117 0.000 2.599 164 V HA -0.171 3.949 4.120 -0.001 0.000 0.237 164 V C 2.448 178.427 176.094 -0.191 0.000 1.081 164 V CA 2.239 64.441 62.300 -0.164 0.000 1.107 164 V CB -0.684 31.074 31.823 -0.109 0.000 0.808 164 V HN 0.043 nan 8.190 nan 0.000 0.486 165 T N -0.877 113.576 114.554 -0.167 0.000 2.962 165 T HA -0.158 4.192 4.350 -0.001 0.000 0.270 165 T C 1.591 176.177 174.700 -0.190 0.000 1.088 165 T CA 1.830 63.839 62.100 -0.151 0.000 1.127 165 T CB -0.575 68.220 68.868 -0.121 0.000 0.883 165 T HN 0.577 nan 8.240 nan 0.000 0.493 166 T N -0.386 114.005 114.554 -0.271 0.000 3.086 166 T HA 0.267 4.617 4.350 -0.001 0.000 0.250 166 T C 1.612 176.109 174.700 -0.337 0.000 1.074 166 T CA 0.287 62.207 62.100 -0.300 0.000 0.988 166 T CB 0.052 68.696 68.868 -0.374 0.000 0.988 166 T HN 0.481 nan 8.240 nan 0.000 0.530 167 V N -1.881 117.808 119.914 -0.375 0.000 3.645 167 V HA 0.549 4.668 4.120 -0.001 0.000 0.275 167 V C 0.243 176.217 176.094 -0.201 0.000 1.356 167 V CA -0.433 61.619 62.300 -0.414 0.000 1.051 167 V CB -0.332 30.943 31.823 -0.912 0.000 0.828 167 V HN 0.353 nan 8.190 nan 0.000 0.441 168 L N 1.233 122.359 121.223 -0.160 0.000 2.330 168 L HA 0.642 4.982 4.340 -0.001 0.000 0.271 168 L C -2.471 174.356 176.870 -0.072 0.000 1.013 168 L CA -2.149 52.638 54.840 -0.088 0.000 0.816 168 L CB 1.760 43.772 42.059 -0.077 0.000 1.287 168 L HN -0.044 nan 8.230 nan 0.000 0.435 169 P HA 0.080 nan 4.420 nan 0.000 0.267 169 P C -2.142 175.134 177.300 -0.039 0.000 1.200 169 P CA -0.986 62.092 63.100 -0.037 0.000 0.772 169 P CB 0.088 31.776 31.700 -0.019 0.000 0.855 170 P HA -0.262 nan 4.420 nan 0.000 0.217 170 P C 1.549 178.833 177.300 -0.026 0.000 1.151 170 P CA 2.055 65.132 63.100 -0.038 0.000 0.849 170 P CB -0.323 31.355 31.700 -0.036 0.000 0.787 171 S N -0.612 115.077 115.700 -0.018 0.000 2.368 171 S HA -0.210 4.260 4.470 -0.001 0.000 0.225 171 S C 2.127 176.726 174.600 -0.003 0.000 1.030 171 S CA 1.269 59.464 58.200 -0.009 0.000 0.999 171 S CB -0.896 62.301 63.200 -0.004 0.000 0.844 171 S HN -0.014 nan 8.310 nan 0.000 0.459 172 R N 1.760 122.257 120.500 -0.005 0.000 2.066 172 R HA 0.099 4.439 4.340 -0.001 0.000 0.232 172 R C 2.104 178.404 176.300 -0.000 0.000 1.131 172 R CA 1.745 57.846 56.100 0.002 0.000 0.955 172 R CB -1.502 28.796 30.300 -0.003 0.000 0.851 172 R HN 0.343 nan 8.270 nan 0.000 0.432 173 V N 1.556 121.458 119.914 -0.019 0.000 2.392 173 V HA -0.252 3.867 4.120 -0.001 0.000 0.249 173 V C 2.472 178.559 176.094 -0.012 0.000 1.059 173 V CA 2.257 64.542 62.300 -0.024 0.000 1.051 173 V CB -0.588 31.208 31.823 -0.045 0.000 0.658 173 V HN 0.420 nan 8.190 nan 0.000 0.455 174 K N -0.102 120.291 120.400 -0.012 0.000 2.026 174 K HA -0.154 4.165 4.320 -0.001 0.000 0.208 174 K C 2.112 178.711 176.600 -0.002 0.000 1.048 174 K CA 1.609 57.889 56.287 -0.013 0.000 0.929 174 K CB -0.196 32.294 32.500 -0.016 0.000 0.713 174 K HN 0.324 nan 8.250 nan 0.000 0.439 175 V N 1.865 121.792 119.914 0.021 0.000 2.287 175 V HA -0.277 3.843 4.120 -0.001 0.000 0.248 175 V C 2.332 178.500 176.094 0.123 0.000 1.053 175 V CA 1.723 64.063 62.300 0.067 0.000 1.027 175 V CB -0.360 31.515 31.823 0.086 0.000 0.646 175 V HN 0.327 nan 8.190 nan 0.000 0.447 176 L N -0.443 120.833 121.223 0.088 0.000 2.056 176 L HA -0.149 4.191 4.340 -0.001 0.000 0.207 176 L C 2.695 179.612 176.870 0.077 0.000 1.078 176 L CA 1.783 56.682 54.840 0.098 0.000 0.749 176 L CB -0.690 41.399 42.059 0.051 0.000 0.901 176 L HN 0.337 nan 8.230 nan 0.000 0.433 177 S N -0.292 115.425 115.700 0.028 0.000 2.382 177 S HA -0.176 4.293 4.470 -0.001 0.000 0.228 177 S C 2.129 176.720 174.600 -0.014 0.000 1.027 177 S CA 1.204 59.407 58.200 0.006 0.000 0.991 177 S CB -0.107 63.085 63.200 -0.014 0.000 0.823 177 S HN 0.444 nan 8.310 nan 0.000 0.469 178 A N 0.600 123.387 122.820 -0.054 0.000 1.972 178 A HA -0.111 4.208 4.320 -0.001 0.000 0.219 178 A C 1.712 179.156 177.584 -0.233 0.000 1.169 178 A CA 1.385 53.325 52.037 -0.162 0.000 0.635 178 A CB -0.719 18.137 19.000 -0.241 0.000 0.810 178 A HN 0.728 nan 8.150 nan 0.000 0.446 179 H N -1.262 117.812 119.070 0.008 0.000 2.529 179 H HA 0.254 4.810 4.556 -0.001 0.000 0.277 179 H C 1.521 176.858 175.328 0.015 0.000 1.004 179 H CA 0.435 56.490 56.048 0.013 0.000 1.167 179 H CB -0.097 29.675 29.762 0.017 0.000 1.445 179 H HN 0.606 nan 8.280 nan 0.000 0.554 180 G N 1.569 110.422 108.800 0.087 0.000 2.198 180 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.260 180 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.260 180 G C 0.916 175.859 174.900 0.072 0.000 1.025 180 G CA 0.415 45.553 45.100 0.063 0.000 0.769 180 G HN 0.442 nan 8.290 nan 0.000 0.507 181 L N -0.289 120.983 121.223 0.083 0.000 2.585 181 L HA 0.289 4.629 4.340 -0.001 0.000 0.226 181 L C 1.073 177.973 176.870 0.049 0.000 1.113 181 L CA -0.337 54.546 54.840 0.072 0.000 0.876 181 L CB -0.010 42.097 42.059 0.081 0.000 1.072 181 L HN 0.190 nan 8.230 nan 0.000 0.468 182 I N 2.332 122.922 120.570 0.033 0.000 2.452 182 I HA 0.150 4.320 4.170 -0.001 0.000 0.287 182 I C -1.937 174.190 176.117 0.016 0.000 1.079 182 I CA -2.192 59.114 61.300 0.011 0.000 1.387 182 I CB 0.240 38.235 38.000 -0.008 0.000 1.404 182 I HN -0.204 nan 8.210 nan 0.000 0.522 183 P HA 0.083 nan 4.420 nan 0.000 0.268 183 P C 0.334 177.635 177.300 0.003 0.000 1.204 183 P CA -0.112 63.005 63.100 0.029 0.000 0.768 183 P CB 0.805 32.513 31.700 0.014 0.000 0.842 184 A N 2.936 125.765 122.820 0.015 0.000 2.021 184 A HA 0.406 4.726 4.320 -0.001 0.000 0.216 184 A C 1.029 178.552 177.584 -0.103 0.000 1.163 184 A CA 1.414 53.399 52.037 -0.088 0.000 0.676 184 A CB -0.600 18.258 19.000 -0.237 0.000 0.818 184 A HN 0.664 nan 8.150 nan 0.000 0.453 185 G N -1.828 106.965 108.800 -0.011 0.000 2.691 185 G HA2 0.434 4.394 3.960 -0.001 0.000 0.298 185 G HA3 0.434 4.394 3.960 -0.001 0.000 0.298 185 G C 0.240 175.180 174.900 0.066 0.000 1.471 185 G CA -0.513 44.590 45.100 0.006 0.000 0.912 185 G HN -0.023 nan 8.290 nan 0.000 0.553 186 I N 0.494 121.033 120.570 -0.051 0.000 2.113 186 I HA -0.106 4.064 4.170 -0.001 0.000 0.238 186 I C 2.046 178.241 176.117 0.129 0.000 1.070 186 I CA 1.177 62.452 61.300 -0.042 0.000 1.332 186 I CB 0.076 37.888 38.000 -0.313 0.000 1.044 186 I HN 0.399 nan 8.210 nan 0.000 0.402 187 D N -0.730 119.818 120.400 0.248 0.000 2.224 187 D HA -0.187 4.453 4.640 -0.001 0.000 0.205 187 D C 1.903 178.312 176.300 0.181 0.000 0.965 187 D CA 1.051 55.191 54.000 0.234 0.000 0.852 187 D CB -0.372 40.590 40.800 0.270 0.000 0.947 187 D HN 0.437 nan 8.370 nan 0.000 0.494 188 H N 1.286 120.427 119.070 0.119 0.000 2.319 188 H HA -0.099 4.457 4.556 -0.001 0.000 0.299 188 H C 1.720 177.096 175.328 0.079 0.000 1.092 188 H CA 1.813 57.919 56.048 0.096 0.000 1.302 188 H CB 0.337 30.152 29.762 0.089 0.000 1.373 188 H HN -0.083 nan 8.280 nan 0.000 0.497 189 E N 0.395 120.664 120.200 0.114 0.000 2.072 189 E HA -0.119 4.231 4.350 -0.001 0.000 0.191 189 E C 2.604 179.211 176.600 0.012 0.000 0.985 189 E CA 1.086 57.517 56.400 0.051 0.000 0.801 189 E CB -0.213 29.551 29.700 0.107 0.000 0.750 189 E HN 0.610 nan 8.360 nan 0.000 0.452 190 I N 1.251 121.848 120.570 0.045 0.000 2.163 190 I HA -0.290 3.880 4.170 -0.001 0.000 0.243 190 I C 2.499 178.623 176.117 0.011 0.000 1.085 190 I CA 1.310 62.635 61.300 0.041 0.000 1.347 190 I CB -0.376 37.663 38.000 0.065 0.000 1.044 190 I HN 0.008 nan 8.210 nan 0.000 0.408 191 A N 0.074 122.890 122.820 -0.008 0.000 1.902 191 A HA -0.272 4.048 4.320 -0.001 0.000 0.217 191 A C 2.318 179.888 177.584 -0.023 0.000 1.181 191 A CA 1.967 53.991 52.037 -0.022 0.000 0.623 191 A CB -0.668 18.313 19.000 -0.031 0.000 0.818 191 A HN 0.506 nan 8.150 nan 0.000 0.443 192 E N -0.403 119.737 120.200 -0.099 0.000 2.110 192 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 192 E C 1.824 178.417 176.600 -0.011 0.000 0.988 192 E CA 1.091 57.449 56.400 -0.071 0.000 0.804 192 E CB -0.115 29.477 29.700 -0.179 0.000 0.745 192 E HN 0.503 nan 8.360 nan 0.000 0.458 193 I N 0.935 121.501 120.570 -0.006 0.000 2.179 193 I HA -0.274 3.896 4.170 -0.001 0.000 0.242 193 I C 2.334 178.464 176.117 0.021 0.000 1.088 193 I CA 1.182 62.489 61.300 0.011 0.000 1.357 193 I CB -0.859 37.155 38.000 0.023 0.000 1.051 193 I HN 0.331 nan 8.210 nan 0.000 0.409 194 M N -0.835 118.779 119.600 0.022 0.000 2.213 194 M HA -0.197 4.283 4.480 -0.001 0.000 0.263 194 M C 2.284 178.623 176.300 0.065 0.000 1.062 194 M CA 1.473 56.779 55.300 0.011 0.000 1.105 194 M CB -1.717 30.878 32.600 -0.009 0.000 1.385 194 M HN 0.392 nan 8.290 nan 0.000 0.417 195 H N 0.982 120.029 119.070 -0.038 0.000 2.261 195 H HA -0.139 4.417 4.556 -0.001 0.000 0.301 195 H C 2.295 177.617 175.328 -0.010 0.000 1.067 195 H CA 1.787 57.819 56.048 -0.028 0.000 1.297 195 H CB 0.090 29.831 29.762 -0.035 0.000 1.377 195 H HN 0.359 nan 8.280 nan 0.000 0.492 196 R N 0.735 121.187 120.500 -0.079 0.000 2.193 196 R HA -0.072 4.268 4.340 -0.001 0.000 0.229 196 R C 1.787 178.072 176.300 -0.025 0.000 1.110 196 R CA 1.734 57.738 56.100 -0.159 0.000 0.988 196 R CB -0.573 29.645 30.300 -0.136 0.000 0.871 196 R HN 0.383 nan 8.270 nan 0.000 0.458 197 T N -1.389 113.187 114.554 0.037 0.000 3.081 197 T HA 0.068 4.417 4.350 -0.001 0.000 0.250 197 T C 0.979 175.787 174.700 0.180 0.000 1.100 197 T CA 0.026 62.190 62.100 0.107 0.000 1.038 197 T CB 0.024 68.968 68.868 0.126 0.000 0.962 197 T HN 0.345 nan 8.240 nan 0.000 0.516 198 S N 1.940 117.706 115.700 0.109 0.000 2.608 198 S HA 0.414 4.884 4.470 -0.001 0.000 0.261 198 S C 0.513 175.187 174.600 0.122 0.000 1.314 198 S CA -0.978 57.287 58.200 0.107 0.000 0.992 198 S CB 0.192 63.442 63.200 0.084 0.000 0.935 198 S HN 0.363 nan 8.310 nan 0.000 0.564 199 M N 1.642 121.307 119.600 0.108 0.000 2.251 199 M HA 0.251 4.731 4.480 -0.001 0.000 0.343 199 M C 1.199 177.534 176.300 0.058 0.000 1.245 199 M CA 1.869 57.217 55.300 0.080 0.000 1.061 199 M CB -0.752 31.887 32.600 0.064 0.000 1.723 199 M HN 1.536 nan 8.290 nan 0.000 0.449 200 G N 3.901 112.725 108.800 0.040 0.000 2.198 200 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.260 200 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.260 200 G C 0.218 175.135 174.900 0.028 0.000 1.025 200 G CA 0.183 45.300 45.100 0.029 0.000 0.769 200 G HN 0.828 nan 8.290 nan 0.000 0.507 201 C N -1.221 118.093 119.300 0.023 0.000 2.951 201 C HA 0.627 5.087 4.460 -0.001 0.000 0.079 201 C C 0.960 175.937 174.990 -0.022 0.000 2.346 201 C CA 0.076 59.089 59.018 -0.008 0.000 1.858 201 C CB 0.181 27.904 27.740 -0.029 0.000 2.913 201 C HN 0.562 nan 8.230 nan 0.000 0.359 202 D N 0.510 120.887 120.400 -0.040 0.000 2.425 202 D HA 0.456 5.096 4.640 -0.001 0.000 0.247 202 D C -0.152 176.141 176.300 -0.012 0.000 1.147 202 D CA 0.468 54.449 54.000 -0.031 0.000 0.879 202 D CB 0.680 41.456 40.800 -0.040 0.000 1.179 202 D HN 0.614 nan 8.370 nan 0.000 0.456 203 A N 3.492 126.305 122.820 -0.011 0.000 2.897 203 A HA 0.256 4.575 4.320 -0.001 0.000 0.230 203 A C -0.522 177.057 177.584 -0.008 0.000 0.896 203 A CA -0.634 51.397 52.037 -0.010 0.000 1.114 203 A CB 0.091 19.086 19.000 -0.009 0.000 1.230 203 A HN 0.485 nan 8.150 nan 0.000 0.481 204 D N -0.413 119.983 120.400 -0.006 0.000 2.788 204 D HA 0.648 5.287 4.640 -0.001 0.000 0.247 204 D C 1.020 177.320 176.300 0.000 0.000 1.236 204 D CA 0.305 54.304 54.000 -0.002 0.000 0.898 204 D CB 1.842 42.643 40.800 0.001 0.000 1.401 204 D HN 0.121 nan 8.370 nan 0.000 0.549 205 A N 3.214 126.034 122.820 -0.000 0.000 1.877 205 A HA -0.206 4.114 4.320 -0.001 0.000 0.216 205 A C 1.898 179.487 177.584 0.009 0.000 1.186 205 A CA 1.759 53.797 52.037 0.002 0.000 0.620 205 A CB -0.655 18.345 19.000 -0.001 0.000 0.822 205 A HN 0.630 nan 8.150 nan 0.000 0.443 206 Q N 0.334 120.140 119.800 0.011 0.000 2.061 206 Q HA -0.212 4.128 4.340 -0.001 0.000 0.204 206 Q C 1.912 177.923 176.000 0.018 0.000 0.984 206 Q CA 2.405 58.217 55.803 0.015 0.000 0.846 206 Q CB -0.534 28.214 28.738 0.016 0.000 0.902 206 Q HN 0.663 nan 8.270 nan 0.000 0.421 207 N N -0.773 117.936 118.700 0.016 0.000 2.120 207 N HA -0.104 4.636 4.740 -0.001 0.000 0.188 207 N C 1.560 177.079 175.510 0.016 0.000 1.024 207 N CA 1.331 54.391 53.050 0.016 0.000 0.852 207 N CB -0.249 38.243 38.487 0.009 0.000 1.003 207 N HN 0.327 nan 8.380 nan 0.000 0.424 208 L N -0.027 121.203 121.223 0.012 0.000 2.017 208 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 208 L C 2.166 179.051 176.870 0.025 0.000 1.073 208 L CA 0.916 55.764 54.840 0.014 0.000 0.745 208 L CB -0.337 41.729 42.059 0.011 0.000 0.894 208 L HN 0.254 nan 8.230 nan 0.000 0.432 209 L N -0.986 120.253 121.223 0.027 0.000 2.093 209 L HA -0.212 4.128 4.340 -0.001 0.000 0.208 209 L C 2.453 179.349 176.870 0.044 0.000 1.085 209 L CA 0.922 55.785 54.840 0.039 0.000 0.755 209 L CB -0.391 41.691 42.059 0.038 0.000 0.904 209 L HN 0.265 nan 8.230 nan 0.000 0.435 210 L N -0.368 120.876 121.223 0.035 0.000 2.042 210 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 210 L C 2.700 179.599 176.870 0.048 0.000 1.076 210 L CA 1.478 56.341 54.840 0.038 0.000 0.749 210 L CB -1.229 40.854 42.059 0.040 0.000 0.893 210 L HN 0.325 nan 8.230 nan 0.000 0.432 211 G N -0.242 108.584 108.800 0.042 0.000 2.476 211 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.218 211 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.218 211 G C 1.585 176.519 174.900 0.056 0.000 1.164 211 G CA 0.839 45.965 45.100 0.043 0.000 0.768 211 G HN 0.496 nan 8.290 nan 0.000 0.560 212 G N 1.006 109.841 108.800 0.058 0.000 2.476 212 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.218 212 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.218 212 G C 1.825 176.783 174.900 0.096 0.000 1.164 212 G CA 0.943 46.089 45.100 0.076 0.000 0.768 212 G HN 0.432 nan 8.290 nan 0.000 0.560 213 L N -0.148 121.129 121.223 0.089 0.000 2.012 213 L HA -0.107 4.233 4.340 -0.001 0.000 0.210 213 L C 2.938 179.867 176.870 0.098 0.000 1.073 213 L CA 1.693 56.591 54.840 0.096 0.000 0.748 213 L CB -0.489 41.610 42.059 0.067 0.000 0.891 213 L HN 0.230 nan 8.230 nan 0.000 0.431 214 R N -0.380 120.169 120.500 0.081 0.000 2.081 214 R HA -0.216 4.123 4.340 -0.001 0.000 0.235 214 R C 2.533 178.885 176.300 0.085 0.000 1.131 214 R CA 2.026 58.172 56.100 0.077 0.000 0.960 214 R CB -0.635 29.707 30.300 0.071 0.000 0.856 214 R HN 0.425 nan 8.270 nan 0.000 0.436 215 C N 0.754 120.109 119.300 0.091 0.000 2.422 215 C HA -0.054 4.406 4.460 -0.001 0.000 0.279 215 C C 3.047 178.118 174.990 0.135 0.000 1.305 215 C CA 1.349 60.426 59.018 0.099 0.000 1.757 215 C CB -0.990 26.803 27.740 0.088 0.000 1.962 215 C HN 0.795 nan 8.230 nan 0.000 0.499 216 S N 0.352 116.153 115.700 0.168 0.000 2.399 216 S HA -0.103 4.367 4.470 -0.001 0.000 0.231 216 S C 1.741 176.503 174.600 0.271 0.000 1.022 216 S CA 1.660 60.023 58.200 0.271 0.000 0.983 216 S CB -0.729 62.642 63.200 0.284 0.000 0.803 216 S HN 0.691 nan 8.310 nan 0.000 0.480 217 L N 1.035 122.343 121.223 0.142 0.000 2.217 217 L HA 0.082 4.421 4.340 -0.001 0.000 0.211 217 L C 3.162 180.015 176.870 -0.028 0.000 1.107 217 L CA 0.865 55.718 54.840 0.021 0.000 0.783 217 L CB -0.787 41.279 42.059 0.012 0.000 0.919 217 L HN 0.473 nan 8.230 nan 0.000 0.442 218 A N 0.218 123.053 122.820 0.025 0.000 1.933 218 A HA -0.301 4.018 4.320 -0.001 0.000 0.218 218 A C 1.949 179.545 177.584 0.020 0.000 1.175 218 A CA 2.187 54.226 52.037 0.004 0.000 0.628 218 A CB -0.631 18.391 19.000 0.038 0.000 0.814 218 A HN 0.455 nan 8.150 nan 0.000 0.444 219 D N -0.805 119.667 120.400 0.120 0.000 2.097 219 D HA -0.164 4.475 4.640 -0.001 0.000 0.195 219 D C 1.804 178.133 176.300 0.048 0.000 0.989 219 D CA 1.359 55.492 54.000 0.221 0.000 0.827 219 D CB -0.141 40.926 40.800 0.445 0.000 0.966 219 D HN 0.240 nan 8.370 nan 0.000 0.456 220 L N 0.766 121.828 121.223 -0.267 0.000 2.012 220 L HA -0.086 4.254 4.340 -0.001 0.000 0.210 220 L C 2.186 178.851 176.870 -0.341 0.000 1.073 220 L CA 2.327 56.674 54.840 -0.822 0.000 0.748 220 L CB -1.285 40.082 42.059 -1.153 0.000 0.891 220 L HN 0.118 nan 8.230 nan 0.000 0.431 221 A N -0.435 122.266 122.820 -0.198 0.000 1.892 221 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 221 A C 2.375 179.881 177.584 -0.130 0.000 1.188 221 A CA 1.939 53.922 52.037 -0.091 0.000 0.631 221 A CB -1.699 17.240 19.000 -0.101 0.000 0.822 221 A HN 0.574 nan 8.150 nan 0.000 0.447 222 G N -1.137 107.586 108.800 -0.129 0.000 2.418 222 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.217 222 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.217 222 G C 1.590 176.440 174.900 -0.082 0.000 1.158 222 G CA 1.306 46.358 45.100 -0.081 0.000 0.771 222 G HN 0.541 nan 8.290 nan 0.000 0.545 223 C N -0.995 118.226 119.300 -0.131 0.000 2.436 223 C HA -0.014 4.446 4.460 -0.001 0.000 0.277 223 C C 2.380 177.314 174.990 -0.093 0.000 1.241 223 C CA 0.728 59.624 59.018 -0.203 0.000 1.721 223 C CB -1.070 26.532 27.740 -0.229 0.000 2.043 223 C HN 0.516 nan 8.230 nan 0.000 0.472 224 Y N 0.771 120.983 120.300 -0.145 0.000 2.200 224 Y HA -0.172 4.378 4.550 -0.001 0.000 0.290 224 Y C 2.615 178.522 175.900 0.012 0.000 1.137 224 Y CA 1.756 59.849 58.100 -0.010 0.000 1.163 224 Y CB -0.572 37.930 38.460 0.070 0.000 0.988 224 Y HN 0.277 nan 8.280 nan 0.000 0.518 225 M N -0.879 118.679 119.600 -0.071 0.000 2.108 225 M HA -0.148 4.332 4.480 -0.001 0.000 0.261 225 M C 2.238 178.440 176.300 -0.163 0.000 1.066 225 M CA 2.176 57.138 55.300 -0.562 0.000 1.107 225 M CB -0.644 31.365 32.600 -0.986 0.000 1.356 225 M HN 0.349 nan 8.290 nan 0.000 0.406 226 G N -0.792 107.970 108.800 -0.063 0.000 2.418 226 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.217 226 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.217 226 G C 1.309 176.257 174.900 0.080 0.000 1.158 226 G CA 1.445 46.581 45.100 0.059 0.000 0.771 226 G HN 0.474 nan 8.290 nan 0.000 0.545 227 T N 0.812 115.378 114.554 0.020 0.000 2.737 227 T HA -0.062 4.288 4.350 -0.001 0.000 0.265 227 T C 2.039 176.782 174.700 0.072 0.000 1.038 227 T CA 1.339 63.451 62.100 0.021 0.000 1.144 227 T CB -0.290 68.522 68.868 -0.093 0.000 0.866 227 T HN 0.122 nan 8.240 nan 0.000 0.434 228 D N 1.163 121.645 120.400 0.136 0.000 2.106 228 D HA -0.056 4.583 4.640 -0.001 0.000 0.191 228 D C 2.126 178.515 176.300 0.149 0.000 0.997 228 D CA 0.993 55.123 54.000 0.217 0.000 0.834 228 D CB -0.385 40.694 40.800 0.466 0.000 0.956 228 D HN 0.298 nan 8.370 nan 0.000 0.448 229 L N 0.321 121.611 121.223 0.111 0.000 2.056 229 L HA -0.083 4.257 4.340 -0.001 0.000 0.207 229 L C 2.545 179.437 176.870 0.037 0.000 1.078 229 L CA 1.000 55.875 54.840 0.058 0.000 0.749 229 L CB -0.408 41.664 42.059 0.022 0.000 0.901 229 L HN -0.036 nan 8.230 nan 0.000 0.433 230 A N -0.026 122.867 122.820 0.121 0.000 1.933 230 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 230 A C 1.904 179.584 177.584 0.161 0.000 1.175 230 A CA 2.023 54.200 52.037 0.233 0.000 0.628 230 A CB -0.492 18.700 19.000 0.320 0.000 0.814 230 A HN 0.337 nan 8.150 nan 0.000 0.444 231 D N -0.003 120.460 120.400 0.105 0.000 2.117 231 D HA -0.100 4.539 4.640 -0.001 0.000 0.198 231 D C 1.839 178.158 176.300 0.031 0.000 0.982 231 D CA 1.057 55.101 54.000 0.074 0.000 0.828 231 D CB -0.359 40.478 40.800 0.062 0.000 0.967 231 D HN 0.514 nan 8.370 nan 0.000 0.464 232 I N 0.378 120.956 120.570 0.014 0.000 2.163 232 I HA -0.272 3.897 4.170 -0.001 0.000 0.243 232 I C 2.345 178.400 176.117 -0.102 0.000 1.085 232 I CA 0.933 62.226 61.300 -0.013 0.000 1.347 232 I CB -0.141 37.862 38.000 0.005 0.000 1.044 232 I HN -0.004 nan 8.210 nan 0.000 0.408 233 L N -1.052 120.007 121.223 -0.273 0.000 2.109 233 L HA -0.117 4.222 4.340 -0.001 0.000 0.207 233 L C 1.576 178.080 176.870 -0.610 0.000 1.086 233 L CA 1.223 55.698 54.840 -0.610 0.000 0.760 233 L CB -0.126 41.206 42.059 -1.211 0.000 0.910 233 L HN 0.179 nan 8.230 nan 0.000 0.437 234 F N -1.043 118.965 119.950 0.097 0.000 2.767 234 F HA 0.475 5.002 4.527 -0.001 0.000 0.323 234 F C 0.962 176.795 175.800 0.055 0.000 1.091 234 F CA -0.135 57.925 58.000 0.099 0.000 1.192 234 F CB 0.208 39.271 39.000 0.106 0.000 1.056 234 F HN -0.047 nan 8.300 nan 0.000 0.571 235 G N 0.747 109.629 108.800 0.138 0.000 2.784 235 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.686 235 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.686 235 G C -0.496 174.427 174.900 0.037 0.000 1.156 235 G CA -1.065 44.077 45.100 0.070 0.000 0.757 235 G HN -0.018 nan 8.290 nan 0.000 0.642 236 T N 4.509 119.073 114.554 0.016 0.000 2.814 236 T HA 0.502 4.852 4.350 -0.001 0.000 0.297 236 T C -1.679 172.998 174.700 -0.038 0.000 0.956 236 T CA -0.213 61.886 62.100 -0.001 0.000 1.123 236 T CB 1.082 69.952 68.868 0.004 0.000 0.902 236 T HN 0.517 nan 8.240 nan 0.000 0.528 237 P HA 0.400 nan 4.420 nan 0.000 0.267 237 P C -0.981 176.247 177.300 -0.121 0.000 1.200 237 P CA -0.276 62.755 63.100 -0.114 0.000 0.772 237 P CB 0.496 32.117 31.700 -0.131 0.000 0.855 238 A N 3.604 126.331 122.820 -0.156 0.000 2.485 238 A HA 0.744 5.063 4.320 -0.001 0.000 0.292 238 A C -2.747 174.663 177.584 -0.290 0.000 1.147 238 A CA -2.075 49.847 52.037 -0.192 0.000 0.750 238 A CB 0.277 19.202 19.000 -0.125 0.000 1.331 238 A HN 0.305 nan 8.150 nan 0.000 0.419 239 P HA 0.242 nan 4.420 nan 0.000 0.262 239 P C -0.728 176.423 177.300 -0.249 0.000 1.182 239 P CA 0.493 63.297 63.100 -0.493 0.000 0.761 239 P CB 0.568 31.989 31.700 -0.464 0.000 0.795 240 V N 4.491 124.281 119.914 -0.206 0.000 3.049 240 V HA 0.475 4.594 4.120 -0.001 0.000 0.309 240 V C -1.091 174.972 176.094 -0.051 0.000 1.148 240 V CA -0.856 61.381 62.300 -0.106 0.000 0.990 240 V CB 2.783 34.544 31.823 -0.104 0.000 1.039 240 V HN 0.114 nan 8.190 nan 0.000 0.430 241 V N 4.572 124.475 119.914 -0.019 0.000 2.459 241 V HA 0.836 4.955 4.120 -0.001 0.000 0.295 241 V C 0.149 176.250 176.094 0.012 0.000 1.029 241 V CA 0.202 62.509 62.300 0.011 0.000 0.874 241 V CB 1.472 33.304 31.823 0.016 0.000 0.985 241 V HN 1.115 nan 8.190 nan 0.000 0.438 242 T N 3.298 117.867 114.554 0.026 0.000 2.606 242 T HA 0.559 4.909 4.350 -0.001 0.000 0.289 242 T C -1.558 173.162 174.700 0.034 0.000 1.113 242 T CA -0.409 61.706 62.100 0.024 0.000 1.106 242 T CB 1.927 70.808 68.868 0.021 0.000 1.611 242 T HN 0.736 nan 8.240 nan 0.000 0.471 243 E N 0.061 120.280 120.200 0.032 0.000 2.416 243 E HA 0.652 5.001 4.350 -0.001 0.000 0.273 243 E C -1.459 175.165 176.600 0.040 0.000 0.935 243 E CA -0.973 55.447 56.400 0.032 0.000 0.784 243 E CB 2.206 31.917 29.700 0.018 0.000 1.301 243 E HN 0.713 nan 8.360 nan 0.000 0.454 244 S N 1.161 116.885 115.700 0.040 0.000 2.618 244 S HA 0.705 5.175 4.470 -0.001 0.000 0.277 244 S C -0.447 174.168 174.600 0.024 0.000 1.138 244 S CA -0.512 57.717 58.200 0.049 0.000 0.844 244 S CB 1.898 65.156 63.200 0.098 0.000 1.127 244 S HN 0.865 nan 8.310 nan 0.000 0.474 245 N N -0.814 117.898 118.700 0.019 0.000 6.512 245 N HA -0.153 4.587 4.740 -0.001 0.000 0.413 245 N C 0.151 175.654 175.510 -0.013 0.000 1.124 245 N CA 0.147 53.197 53.050 0.000 0.000 1.789 245 N CB -0.953 37.525 38.487 -0.016 0.000 0.749 245 N HN 0.665 nan 8.380 nan 0.000 0.431 246 L N 0.389 121.604 121.223 -0.013 0.000 2.265 246 L HA -0.034 4.306 4.340 -0.001 0.000 0.215 246 L C 2.355 179.220 176.870 -0.009 0.000 1.117 246 L CA 1.629 56.461 54.840 -0.013 0.000 0.782 246 L CB -0.637 41.419 42.059 -0.005 0.000 0.914 246 L HN 0.755 nan 8.230 nan 0.000 0.441 247 G N -0.043 108.752 108.800 -0.007 0.000 2.625 247 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.214 247 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.214 247 G C 1.553 176.451 174.900 -0.003 0.000 1.132 247 G CA 0.777 45.875 45.100 -0.004 0.000 0.782 247 G HN 0.389 nan 8.290 nan 0.000 0.538 248 V N -1.384 118.526 119.914 -0.007 0.000 3.217 248 V HA 0.294 4.413 4.120 -0.001 0.000 0.264 248 V C 1.238 177.327 176.094 -0.008 0.000 1.135 248 V CA 0.050 62.345 62.300 -0.007 0.000 1.142 248 V CB -0.593 31.223 31.823 -0.010 0.000 0.754 248 V HN 0.162 nan 8.190 nan 0.000 0.484 249 L N 1.327 122.546 121.223 -0.006 0.000 2.439 249 L HA 0.351 4.691 4.340 -0.001 0.000 0.269 249 L C 0.320 177.196 176.870 0.010 0.000 1.179 249 L CA 0.393 55.234 54.840 0.001 0.000 0.828 249 L CB 0.393 42.455 42.059 0.005 0.000 1.106 249 L HN 0.176 nan 8.230 nan 0.000 0.467 250 K N 1.306 121.717 120.400 0.019 0.000 2.545 250 K HA 0.391 4.711 4.320 -0.001 0.000 0.252 250 K C 0.359 176.996 176.600 0.061 0.000 0.948 250 K CA -0.449 55.854 56.287 0.027 0.000 0.827 250 K CB 1.920 34.427 32.500 0.011 0.000 1.128 250 K HN 0.647 nan 8.250 nan 0.000 0.429 251 A N 2.290 125.150 122.820 0.067 0.000 1.978 251 A HA -0.186 4.133 4.320 -0.001 0.000 0.220 251 A C 1.277 178.972 177.584 0.185 0.000 1.170 251 A CA 2.022 54.118 52.037 0.098 0.000 0.636 251 A CB -0.351 18.685 19.000 0.059 0.000 0.810 251 A HN 0.850 nan 8.150 nan 0.000 0.448 252 D N -0.865 119.626 120.400 0.153 0.000 2.328 252 D HA 0.438 5.078 4.640 -0.001 0.000 0.221 252 D C 0.402 176.764 176.300 0.104 0.000 1.072 252 D CA 0.580 54.703 54.000 0.206 0.000 0.850 252 D CB -0.244 40.623 40.800 0.112 0.000 0.922 252 D HN 0.385 nan 8.370 nan 0.000 0.516 253 A N -0.089 122.753 122.820 0.037 0.000 2.350 253 A HA 0.604 4.923 4.320 -0.001 0.000 0.318 253 A C -0.401 177.029 177.584 -0.257 0.000 1.132 253 A CA -0.843 51.083 52.037 -0.186 0.000 0.811 253 A CB 1.660 20.601 19.000 -0.098 0.000 1.313 253 A HN 0.024 nan 8.150 nan 0.000 0.454 254 V N 3.093 122.747 119.914 -0.432 0.000 2.397 254 V HA 0.086 4.205 4.120 -0.001 0.000 0.262 254 V C -0.132 175.925 176.094 -0.063 0.000 1.047 254 V CA -0.431 61.741 62.300 -0.214 0.000 1.003 254 V CB -0.392 31.290 31.823 -0.235 0.000 1.037 254 V HN 0.711 nan 8.190 nan 0.000 0.480 255 N N 4.313 123.028 118.700 0.026 0.000 2.419 255 N HA 0.381 5.120 4.740 -0.001 0.000 0.264 255 N C -0.763 174.753 175.510 0.009 0.000 1.031 255 N CA -0.187 52.870 53.050 0.012 0.000 0.951 255 N CB 2.208 40.714 38.487 0.031 0.000 1.101 255 N HN 0.399 nan 8.380 nan 0.000 0.488 256 V N 1.547 121.453 119.914 -0.013 0.000 2.443 256 V HA 0.461 4.581 4.120 -0.001 0.000 0.293 256 V C 0.005 176.084 176.094 -0.026 0.000 1.021 256 V CA -1.002 61.289 62.300 -0.015 0.000 0.848 256 V CB 1.358 33.166 31.823 -0.025 0.000 0.998 256 V HN 0.705 nan 8.190 nan 0.000 0.424 257 A N 4.907 127.715 122.820 -0.020 0.000 2.301 257 A HA 0.755 5.074 4.320 -0.001 0.000 0.298 257 A C -0.084 177.487 177.584 -0.021 0.000 1.185 257 A CA -0.458 51.559 52.037 -0.033 0.000 0.830 257 A CB 1.019 19.995 19.000 -0.039 0.000 1.112 257 A HN 1.303 nan 8.150 nan 0.000 0.508 258 V N 1.522 121.413 119.914 -0.038 0.000 2.407 258 V HA 0.690 4.809 4.120 -0.001 0.000 0.278 258 V C -0.353 175.748 176.094 0.012 0.000 1.037 258 V CA -0.391 61.886 62.300 -0.037 0.000 0.900 258 V CB 0.803 32.578 31.823 -0.079 0.000 0.983 258 V HN 0.953 nan 8.190 nan 0.000 0.459 259 H N 2.599 121.607 119.070 -0.105 0.000 2.894 259 H HA 0.824 5.380 4.556 -0.000 0.000 0.367 259 H C 0.101 175.377 175.328 -0.087 0.000 1.144 259 H CA 0.296 56.291 56.048 -0.089 0.000 1.180 259 H CB 1.753 31.483 29.762 -0.054 0.000 1.758 259 H HN 1.352 nan 8.280 nan 0.000 0.541 260 G N 2.813 111.639 108.800 0.044 0.000 2.317 260 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.196 260 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.196 260 G C -0.497 174.316 174.900 -0.144 0.000 1.255 260 G CA 0.316 45.401 45.100 -0.025 0.000 1.243 260 G HN 0.655 nan 8.290 nan 0.000 0.535 261 H N -0.011 119.017 119.070 -0.070 0.000 2.916 261 H HA 0.303 4.859 4.556 -0.000 0.000 0.229 261 H C 0.830 176.154 175.328 -0.008 0.000 0.917 261 H CA 0.420 56.514 56.048 0.076 0.000 1.048 261 H CB 0.387 30.335 29.762 0.310 0.000 1.417 261 H HN 0.367 nan 8.280 nan 0.000 0.445 262 N N 3.233 121.800 118.700 -0.221 0.000 2.419 262 N HA 0.074 4.814 4.740 -0.001 0.000 0.264 262 N C -1.884 173.437 175.510 -0.315 0.000 1.031 262 N CA -1.775 51.035 53.050 -0.402 0.000 0.951 262 N CB 1.577 39.736 38.487 -0.548 0.000 1.101 262 N HN 0.030 nan 8.380 nan 0.000 0.488 263 P HA -0.106 nan 4.420 nan 0.000 0.228 263 P C 1.087 178.065 177.300 -0.537 0.000 1.151 263 P CA 0.553 63.429 63.100 -0.372 0.000 0.770 263 P CB 0.300 31.797 31.700 -0.338 0.000 0.786 264 V N 0.036 119.794 119.914 -0.259 0.000 2.380 264 V HA -0.233 3.887 4.120 -0.001 0.000 0.251 264 V C 2.478 178.551 176.094 -0.035 0.000 1.063 264 V CA 1.809 64.118 62.300 0.015 0.000 1.055 264 V CB -1.055 30.619 31.823 -0.250 0.000 0.657 264 V HN 0.105 nan 8.190 nan 0.000 0.455 265 L N 0.667 121.665 121.223 -0.375 0.000 2.062 265 L HA -0.033 4.307 4.340 -0.001 0.000 0.202 265 L C 2.723 179.349 176.870 -0.405 0.000 1.079 265 L CA 2.387 56.825 54.840 -0.670 0.000 0.755 265 L CB -0.881 40.746 42.059 -0.720 0.000 0.913 265 L HN 0.434 nan 8.230 nan 0.000 0.445 266 S N -1.720 113.778 115.700 -0.336 0.000 2.399 266 S HA -0.234 4.235 4.470 -0.001 0.000 0.231 266 S C 1.921 176.386 174.600 -0.225 0.000 1.022 266 S CA 1.297 59.351 58.200 -0.243 0.000 0.983 266 S CB -0.963 62.118 63.200 -0.199 0.000 0.803 266 S HN 0.617 nan 8.310 nan 0.000 0.480 267 D N 1.054 121.260 120.400 -0.324 0.000 2.144 267 D HA -0.080 4.560 4.640 -0.001 0.000 0.199 267 D C 1.813 177.989 176.300 -0.207 0.000 0.984 267 D CA 1.174 54.980 54.000 -0.322 0.000 0.834 267 D CB 0.009 40.366 40.800 -0.738 0.000 0.955 267 D HN 0.343 nan 8.370 nan 0.000 0.465 268 I N 1.503 121.992 120.570 -0.134 0.000 2.286 268 I HA -0.203 3.966 4.170 -0.001 0.000 0.245 268 I C 2.474 178.561 176.117 -0.050 0.000 1.104 268 I CA 0.425 61.693 61.300 -0.053 0.000 1.397 268 I CB -0.925 37.137 38.000 0.102 0.000 1.072 268 I HN 0.081 nan 8.210 nan 0.000 0.417 269 I N 0.739 121.272 120.570 -0.061 0.000 2.194 269 I HA -0.256 3.914 4.170 -0.001 0.000 0.246 269 I C 2.766 178.831 176.117 -0.087 0.000 1.093 269 I CA 1.336 62.600 61.300 -0.061 0.000 1.355 269 I CB -1.256 36.693 38.000 -0.085 0.000 1.046 269 I HN 0.038 nan 8.210 nan 0.000 0.413 270 V N 1.346 121.185 119.914 -0.126 0.000 2.295 270 V HA -0.258 3.862 4.120 -0.001 0.000 0.246 270 V C 2.694 178.691 176.094 -0.163 0.000 1.049 270 V CA 2.159 64.367 62.300 -0.153 0.000 1.024 270 V CB -0.841 30.851 31.823 -0.217 0.000 0.648 270 V HN 0.569 nan 8.190 nan 0.000 0.447 271 S N -0.271 115.324 115.700 -0.175 0.000 2.368 271 S HA -0.141 4.328 4.470 -0.001 0.000 0.224 271 S C 1.946 176.489 174.600 -0.096 0.000 1.029 271 S CA 1.497 59.609 58.200 -0.146 0.000 0.988 271 S CB -0.598 62.520 63.200 -0.136 0.000 0.838 271 S HN 0.308 nan 8.310 nan 0.000 0.462 272 V N 2.188 122.056 119.914 -0.075 0.000 2.427 272 V HA -0.120 4.000 4.120 -0.001 0.000 0.248 272 V C 2.818 178.880 176.094 -0.053 0.000 1.051 272 V CA 1.906 64.174 62.300 -0.052 0.000 1.048 272 V CB -1.169 30.637 31.823 -0.028 0.000 0.666 272 V HN 0.525 nan 8.190 nan 0.000 0.456 273 S N -0.364 115.300 115.700 -0.061 0.000 2.383 273 S HA -0.243 4.226 4.470 -0.001 0.000 0.229 273 S C 1.995 176.557 174.600 -0.064 0.000 1.030 273 S CA 1.624 59.788 58.200 -0.062 0.000 1.002 273 S CB -0.253 62.906 63.200 -0.068 0.000 0.829 273 S HN 0.618 nan 8.310 nan 0.000 0.467 274 K N 0.903 121.261 120.400 -0.070 0.000 2.097 274 K HA -0.067 4.253 4.320 -0.001 0.000 0.205 274 K C 2.217 178.784 176.600 -0.054 0.000 1.050 274 K CA 1.064 57.313 56.287 -0.064 0.000 0.938 274 K CB -0.099 32.359 32.500 -0.070 0.000 0.718 274 K HN 0.403 nan 8.250 nan 0.000 0.442 275 E N 0.707 120.875 120.200 -0.052 0.000 2.204 275 E HA -0.126 4.224 4.350 -0.001 0.000 0.194 275 E C 1.338 177.914 176.600 -0.040 0.000 0.989 275 E CA 0.863 57.237 56.400 -0.043 0.000 0.824 275 E CB 0.154 29.830 29.700 -0.041 0.000 0.756 275 E HN 0.268 nan 8.360 nan 0.000 0.477 276 M N 0.384 119.958 119.600 -0.044 0.000 2.453 276 M HA 0.064 4.544 4.480 -0.001 0.000 0.239 276 M C 1.567 177.837 176.300 -0.051 0.000 1.151 276 M CA 0.027 55.301 55.300 -0.042 0.000 0.989 276 M CB 0.391 32.967 32.600 -0.040 0.000 1.548 276 M HN 0.084 nan 8.290 nan 0.000 0.479 277 E N 1.738 121.906 120.200 -0.054 0.000 2.070 277 E HA -0.252 4.097 4.350 -0.001 0.000 0.197 277 E C 1.267 177.833 176.600 -0.058 0.000 1.004 277 E CA 2.002 58.365 56.400 -0.062 0.000 0.805 277 E CB 0.077 29.744 29.700 -0.055 0.000 0.744 277 E HN 0.600 nan 8.360 nan 0.000 0.451 278 N N -0.036 118.637 118.700 -0.043 0.000 2.188 278 N HA -0.153 4.587 4.740 -0.001 0.000 0.184 278 N C 1.808 177.298 175.510 -0.034 0.000 1.018 278 N CA 1.109 54.138 53.050 -0.035 0.000 0.858 278 N CB -0.025 38.446 38.487 -0.026 0.000 0.989 278 N HN 0.233 nan 8.380 nan 0.000 0.426 279 E N 0.522 120.702 120.200 -0.034 0.000 2.072 279 E HA -0.148 4.202 4.350 -0.001 0.000 0.191 279 E C 1.917 178.495 176.600 -0.038 0.000 0.985 279 E CA 0.893 57.276 56.400 -0.028 0.000 0.801 279 E CB -0.009 29.677 29.700 -0.024 0.000 0.750 279 E HN 0.401 nan 8.360 nan 0.000 0.452 280 A N 1.364 124.145 122.820 -0.065 0.000 1.902 280 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 280 A C 2.121 179.634 177.584 -0.118 0.000 1.181 280 A CA 1.322 53.291 52.037 -0.114 0.000 0.623 280 A CB -0.416 18.489 19.000 -0.157 0.000 0.818 280 A HN 0.156 nan 8.150 nan 0.000 0.443 281 R N -0.624 119.824 120.500 -0.086 0.000 2.092 281 R HA -0.050 4.289 4.340 -0.001 0.000 0.231 281 R C 2.443 178.731 176.300 -0.021 0.000 1.119 281 R CA 1.050 57.115 56.100 -0.059 0.000 0.970 281 R CB -0.523 29.749 30.300 -0.046 0.000 0.864 281 R HN 0.514 nan 8.270 nan 0.000 0.440 282 A N 1.460 124.271 122.820 -0.014 0.000 1.986 282 A HA -0.144 4.176 4.320 -0.001 0.000 0.220 282 A C 2.173 179.774 177.584 0.028 0.000 1.171 282 A CA 1.837 53.877 52.037 0.005 0.000 0.640 282 A CB -0.399 18.602 19.000 0.002 0.000 0.811 282 A HN 0.387 nan 8.150 nan 0.000 0.451 283 A N -2.146 120.695 122.820 0.034 0.000 2.251 283 A HA 0.428 4.748 4.320 -0.001 0.000 0.209 283 A C 1.726 179.424 177.584 0.190 0.000 1.187 283 A CA 1.123 53.219 52.037 0.099 0.000 0.823 283 A CB -0.869 18.196 19.000 0.109 0.000 0.846 283 A HN 1.899 nan 8.150 nan 0.000 0.486 284 G N -2.233 106.646 108.800 0.132 0.000 2.175 284 G HA2 0.102 4.061 3.960 -0.001 0.000 0.244 284 G HA3 0.102 4.061 3.960 -0.001 0.000 0.244 284 G C 0.417 175.450 174.900 0.222 0.000 0.982 284 G CA 0.258 45.476 45.100 0.198 0.000 0.641 284 G HN 1.537 nan 8.290 nan 0.000 0.527 285 A N -0.154 122.618 122.820 -0.081 0.000 2.264 285 A HA 0.805 5.125 4.320 -0.001 0.000 0.304 285 A C 1.681 179.141 177.584 -0.208 0.000 1.100 285 A CA 1.110 52.870 52.037 -0.462 0.000 0.839 285 A CB 0.529 18.837 19.000 -1.153 0.000 1.121 285 A HN 1.303 nan 8.150 nan 0.000 0.496 286 T N -1.700 112.748 114.554 -0.176 0.000 2.951 286 T HA 0.427 4.777 4.350 -0.001 0.000 0.268 286 T C 0.944 175.573 174.700 -0.120 0.000 1.073 286 T CA 1.082 63.121 62.100 -0.101 0.000 1.134 286 T CB -0.295 68.534 68.868 -0.063 0.000 0.884 286 T HN 2.151 nan 8.240 nan 0.000 0.479 287 G N 0.253 108.945 108.800 -0.180 0.000 2.333 287 G HA2 0.418 4.378 3.960 -0.001 0.000 0.288 287 G HA3 0.418 4.378 3.960 -0.001 0.000 0.288 287 G C -1.909 172.880 174.900 -0.185 0.000 1.286 287 G CA -1.031 43.978 45.100 -0.152 0.000 0.865 287 G HN 0.340 nan 8.290 nan 0.000 0.506 288 I N 1.315 121.804 120.570 -0.134 0.000 2.315 288 I HA 0.279 4.449 4.170 -0.001 0.000 0.291 288 I C -0.339 175.724 176.117 -0.090 0.000 1.006 288 I CA -0.673 60.555 61.300 -0.120 0.000 1.265 288 I CB 1.641 39.585 38.000 -0.093 0.000 1.387 288 I HN 0.347 nan 8.210 nan 0.000 0.475 289 N N 6.720 125.371 118.700 -0.081 0.000 2.678 289 N HA 0.226 4.966 4.740 -0.001 0.000 0.231 289 N C -0.878 174.603 175.510 -0.048 0.000 1.038 289 N CA -0.325 52.690 53.050 -0.057 0.000 0.932 289 N CB 0.755 39.215 38.487 -0.046 0.000 1.176 289 N HN 0.263 nan 8.380 nan 0.000 0.511 290 V N 3.546 123.430 119.914 -0.050 0.000 2.508 290 V HA 0.265 4.385 4.120 -0.001 0.000 0.281 290 V C 0.500 176.568 176.094 -0.043 0.000 1.041 290 V CA -0.383 61.888 62.300 -0.049 0.000 1.016 290 V CB 0.670 32.459 31.823 -0.057 0.000 0.984 290 V HN 0.436 nan 8.190 nan 0.000 0.478 291 V N 2.320 122.206 119.914 -0.046 0.000 3.040 291 V HA 1.039 5.159 4.120 -0.001 0.000 0.312 291 V C 0.129 176.180 176.094 -0.070 0.000 1.115 291 V CA -0.487 61.781 62.300 -0.052 0.000 0.998 291 V CB 1.889 33.681 31.823 -0.052 0.000 1.042 291 V HN 0.888 nan 8.190 nan 0.000 0.433 292 G N 1.845 110.593 108.800 -0.086 0.000 2.388 292 G HA2 0.759 4.719 3.960 -0.001 0.000 0.330 292 G HA3 0.759 4.719 3.960 -0.001 0.000 0.330 292 G C -1.048 173.733 174.900 -0.197 0.000 1.142 292 G CA -0.792 44.242 45.100 -0.110 0.000 0.908 292 G HN 0.836 nan 8.290 nan 0.000 0.473 293 I N 0.621 121.062 120.570 -0.215 0.000 2.545 293 I HA 0.354 4.524 4.170 -0.001 0.000 0.292 293 I C 0.456 176.445 176.117 -0.213 0.000 1.040 293 I CA -0.400 60.684 61.300 -0.360 0.000 1.068 293 I CB 1.729 39.370 38.000 -0.598 0.000 1.251 293 I HN 0.701 nan 8.210 nan 0.000 0.424 294 C N 2.618 121.812 119.300 -0.176 0.000 0.168 294 C HA -0.279 4.181 4.460 -0.001 0.000 0.017 294 C C 2.158 177.132 174.990 -0.028 0.000 0.171 294 C CA -0.110 58.916 59.018 0.015 0.000 0.499 294 C CB -1.469 26.344 27.740 0.122 0.000 3.212 294 C HN 1.027 nan 8.230 nan 0.000 1.118 295 C N 0.152 119.332 119.300 -0.200 0.000 2.464 295 C HA -0.008 4.452 4.460 -0.001 0.000 0.278 295 C C 2.506 177.419 174.990 -0.129 0.000 1.375 295 C CA 1.663 60.584 59.018 -0.163 0.000 1.761 295 C CB -1.529 26.091 27.740 -0.199 0.000 1.944 295 C HN 0.958 nan 8.230 nan 0.000 0.509 296 T N 0.667 115.106 114.554 -0.191 0.000 2.720 296 T HA -0.096 4.254 4.350 -0.001 0.000 0.268 296 T C 1.989 176.641 174.700 -0.080 0.000 1.037 296 T CA 1.927 63.956 62.100 -0.118 0.000 1.144 296 T CB -0.554 68.238 68.868 -0.127 0.000 0.864 296 T HN 0.686 nan 8.240 nan 0.000 0.444 297 G N 1.961 110.719 108.800 -0.069 0.000 2.446 297 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.217 297 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.217 297 G C 1.670 176.564 174.900 -0.009 0.000 1.168 297 G CA 0.695 45.764 45.100 -0.053 0.000 0.771 297 G HN 0.391 nan 8.290 nan 0.000 0.551 298 N N 0.713 119.434 118.700 0.035 0.000 2.149 298 N HA -0.091 4.649 4.740 -0.001 0.000 0.188 298 N C 2.182 177.682 175.510 -0.017 0.000 1.019 298 N CA 1.071 54.163 53.050 0.071 0.000 0.857 298 N CB -0.188 38.389 38.487 0.151 0.000 0.997 298 N HN 0.358 nan 8.380 nan 0.000 0.426 299 E N 0.456 120.642 120.200 -0.023 0.000 2.031 299 E HA -0.119 4.231 4.350 -0.001 0.000 0.193 299 E C 2.135 178.684 176.600 -0.084 0.000 0.994 299 E CA 1.200 57.574 56.400 -0.045 0.000 0.800 299 E CB -0.423 29.254 29.700 -0.037 0.000 0.752 299 E HN 0.404 nan 8.360 nan 0.000 0.447 300 V N -0.557 119.324 119.914 -0.055 0.000 2.871 300 V HA -0.056 4.064 4.120 -0.001 0.000 0.256 300 V C 2.409 178.492 176.094 -0.018 0.000 1.082 300 V CA 0.951 63.256 62.300 0.009 0.000 1.105 300 V CB -0.701 31.152 31.823 0.050 0.000 0.713 300 V HN 0.077 nan 8.190 nan 0.000 0.473 301 L N -0.740 120.458 121.223 -0.042 0.000 2.027 301 L HA -0.072 4.268 4.340 -0.001 0.000 0.206 301 L C 2.684 179.480 176.870 -0.124 0.000 1.074 301 L CA 1.927 56.737 54.840 -0.050 0.000 0.745 301 L CB -0.238 41.814 42.059 -0.011 0.000 0.898 301 L HN 0.181 nan 8.230 nan 0.000 0.433 302 M N -0.546 118.943 119.600 -0.185 0.000 2.117 302 M HA -0.179 4.300 4.480 -0.001 0.000 0.262 302 M C 2.392 178.550 176.300 -0.237 0.000 1.065 302 M CA 1.758 56.916 55.300 -0.236 0.000 1.114 302 M CB -1.055 31.408 32.600 -0.229 0.000 1.361 302 M HN 0.315 nan 8.290 nan 0.000 0.408 303 R N -1.432 118.876 120.500 -0.320 0.000 2.140 303 R HA -0.007 4.333 4.340 -0.001 0.000 0.213 303 R C 1.249 177.188 176.300 -0.602 0.000 1.059 303 R CA 0.764 56.545 56.100 -0.532 0.000 1.000 303 R CB 0.155 29.970 30.300 -0.808 0.000 0.910 303 R HN 0.507 nan 8.270 nan 0.000 0.455 304 H N -1.696 117.343 119.070 -0.051 0.000 3.233 304 H HA 0.232 4.788 4.556 -0.001 0.000 0.263 304 H C 0.956 176.257 175.328 -0.045 0.000 1.168 304 H CA 0.541 56.562 56.048 -0.045 0.000 1.159 304 H CB 1.398 31.132 29.762 -0.047 0.000 1.593 304 H HN 0.383 nan 8.280 nan 0.000 0.580 305 G N 1.959 110.766 108.800 0.013 0.000 2.179 305 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.257 305 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.257 305 G C 0.233 175.145 174.900 0.020 0.000 1.010 305 G CA 0.048 45.151 45.100 0.005 0.000 0.736 305 G HN 0.220 nan 8.290 nan 0.000 0.513 306 I N 2.202 122.792 120.570 0.032 0.000 2.668 306 I HA 0.128 4.297 4.170 -0.001 0.000 0.285 306 I C -1.185 174.935 176.117 0.005 0.000 1.168 306 I CA -2.007 59.302 61.300 0.015 0.000 1.424 306 I CB 0.099 38.107 38.000 0.014 0.000 1.377 306 I HN 0.042 nan 8.210 nan 0.000 0.560 307 P HA 0.135 nan 4.420 nan 0.000 0.271 307 P C -0.754 176.540 177.300 -0.011 0.000 1.218 307 P CA -0.492 62.610 63.100 0.003 0.000 0.780 307 P CB 0.849 32.548 31.700 -0.002 0.000 0.901 308 A N 2.463 125.287 122.820 0.005 0.000 2.309 308 A HA 0.205 4.525 4.320 -0.001 0.000 0.290 308 A C 1.537 179.073 177.584 -0.079 0.000 1.206 308 A CA -0.536 51.478 52.037 -0.039 0.000 0.850 308 A CB -0.434 18.604 19.000 0.063 0.000 1.118 308 A HN 0.758 nan 8.150 nan 0.000 0.523 309 C N 2.094 121.306 119.300 -0.147 0.000 2.543 309 C HA 0.342 4.802 4.460 -0.001 0.000 0.281 309 C C 1.357 176.253 174.990 -0.156 0.000 1.276 309 C CA 1.799 60.742 59.018 -0.126 0.000 1.700 309 C CB -0.254 27.411 27.740 -0.124 0.000 2.093 309 C HN 1.016 nan 8.230 nan 0.000 0.488 310 T N -2.887 111.477 114.554 -0.317 0.000 2.658 310 T HA 0.477 4.826 4.350 -0.001 0.000 0.306 310 T C -2.267 172.047 174.700 -0.644 0.000 1.544 310 T CA -0.430 61.496 62.100 -0.289 0.000 0.991 310 T CB 0.926 69.740 68.868 -0.090 0.000 1.774 310 T HN 0.555 nan 8.240 nan 0.000 0.479 311 H N -0.208 118.842 119.070 -0.033 0.000 3.012 311 H HA 0.733 5.288 4.556 -0.001 0.000 0.367 311 H C 0.493 175.823 175.328 0.003 0.000 1.211 311 H CA 0.389 56.419 56.048 -0.030 0.000 1.139 311 H CB 1.578 31.330 29.762 -0.016 0.000 1.838 311 H HN 0.824 nan 8.280 nan 0.000 0.550 312 S N -0.180 115.605 115.700 0.141 0.000 4.110 312 S HA -0.326 4.144 4.470 -0.001 0.000 0.573 312 S C 1.853 176.492 174.600 0.064 0.000 1.936 312 S CA 2.089 60.365 58.200 0.127 0.000 4.227 312 S CB -1.265 62.022 63.200 0.145 0.000 0.327 312 S HN 0.677 nan 8.310 nan 0.000 0.532 313 V N 2.527 122.458 119.914 0.030 0.000 2.469 313 V HA -0.066 4.054 4.120 -0.001 0.000 0.251 313 V C 2.239 178.259 176.094 -0.122 0.000 1.064 313 V CA 3.115 65.340 62.300 -0.126 0.000 1.066 313 V CB -0.693 31.003 31.823 -0.212 0.000 0.667 313 V HN 1.074 nan 8.190 nan 0.000 0.461 314 S N -0.013 115.749 115.700 0.104 0.000 2.634 314 S HA -0.044 4.426 4.470 -0.001 0.000 0.221 314 S C 1.629 176.299 174.600 0.117 0.000 0.952 314 S CA 0.452 58.795 58.200 0.239 0.000 0.930 314 S CB -0.044 63.348 63.200 0.320 0.000 0.780 314 S HN 0.875 nan 8.310 nan 0.000 0.498 315 Q N 1.772 121.593 119.800 0.035 0.000 2.181 315 Q HA -0.210 4.130 4.340 -0.001 0.000 0.205 315 Q C 1.381 177.387 176.000 0.010 0.000 0.980 315 Q CA 1.771 57.553 55.803 -0.035 0.000 0.862 315 Q CB -0.771 27.927 28.738 -0.068 0.000 0.905 315 Q HN 0.683 nan 8.270 nan 0.000 0.429 316 E N 0.379 120.616 120.200 0.061 0.000 2.204 316 E HA -0.113 4.236 4.350 -0.001 0.000 0.194 316 E C 1.937 178.584 176.600 0.078 0.000 0.989 316 E CA 1.042 57.488 56.400 0.075 0.000 0.824 316 E CB -0.041 29.716 29.700 0.095 0.000 0.756 316 E HN 0.397 nan 8.360 nan 0.000 0.477 317 M N 0.306 119.966 119.600 0.100 0.000 2.296 317 M HA -0.052 4.428 4.480 -0.001 0.000 0.265 317 M C 2.361 178.687 176.300 0.044 0.000 1.064 317 M CA 0.994 56.347 55.300 0.088 0.000 1.109 317 M CB -0.977 31.691 32.600 0.113 0.000 1.396 317 M HN 0.135 nan 8.290 nan 0.000 0.430 318 A N 0.350 123.182 122.820 0.020 0.000 1.940 318 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 318 A C 2.247 179.838 177.584 0.012 0.000 1.176 318 A CA 1.636 53.672 52.037 -0.001 0.000 0.631 318 A CB -0.552 18.425 19.000 -0.037 0.000 0.814 318 A HN 0.515 nan 8.150 nan 0.000 0.446 319 M N -0.634 118.980 119.600 0.023 0.000 2.200 319 M HA -0.040 4.439 4.480 -0.001 0.000 0.265 319 M C 1.678 177.997 176.300 0.031 0.000 1.066 319 M CA 0.954 56.272 55.300 0.030 0.000 1.127 319 M CB -0.402 32.222 32.600 0.039 0.000 1.379 319 M HN 0.245 nan 8.290 nan 0.000 0.420 320 I N 0.960 121.552 120.570 0.037 0.000 2.567 320 I HA -0.192 3.978 4.170 -0.001 0.000 0.257 320 I C 2.697 178.829 176.117 0.025 0.000 1.184 320 I CA 1.819 63.140 61.300 0.036 0.000 1.451 320 I CB -1.859 36.169 38.000 0.046 0.000 1.089 320 I HN 0.447 nan 8.210 nan 0.000 0.441 321 T N -1.029 113.539 114.554 0.022 0.000 2.803 321 T HA -0.114 4.235 4.350 -0.001 0.000 0.269 321 T C 1.802 176.511 174.700 0.015 0.000 1.052 321 T CA 1.630 63.740 62.100 0.017 0.000 1.136 321 T CB -0.544 68.334 68.868 0.015 0.000 0.864 321 T HN 0.511 nan 8.240 nan 0.000 0.467 322 G N 0.562 109.373 108.800 0.017 0.000 2.195 322 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.246 322 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.246 322 G C 0.925 175.834 174.900 0.015 0.000 0.984 322 G CA 0.314 45.422 45.100 0.012 0.000 0.633 322 G HN 1.373 nan 8.290 nan 0.000 0.525 323 A N -0.819 122.016 122.820 0.025 0.000 2.348 323 A HA 0.711 5.031 4.320 -0.001 0.000 0.224 323 A C 0.884 178.502 177.584 0.056 0.000 1.227 323 A CA 0.681 52.744 52.037 0.044 0.000 0.885 323 A CB 0.227 19.254 19.000 0.045 0.000 0.933 323 A HN 1.072 nan 8.150 nan 0.000 0.506 324 L N 1.251 122.498 121.223 0.039 0.000 2.342 324 L HA 0.247 4.587 4.340 -0.001 0.000 0.285 324 L C 0.237 177.136 176.870 0.048 0.000 1.095 324 L CA 0.118 54.981 54.840 0.037 0.000 0.843 324 L CB 0.235 42.307 42.059 0.023 0.000 1.201 324 L HN 0.220 nan 8.230 nan 0.000 0.445 325 D N 3.726 124.165 120.400 0.066 0.000 2.194 325 D HA 0.120 4.760 4.640 -0.001 0.000 0.204 325 D C 0.303 176.636 176.300 0.054 0.000 0.964 325 D CA 0.988 55.035 54.000 0.078 0.000 0.846 325 D CB 0.470 41.349 40.800 0.132 0.000 0.962 325 D HN 0.552 nan 8.370 nan 0.000 0.490 326 A N 0.189 123.033 122.820 0.039 0.000 2.549 326 A HA 0.640 4.960 4.320 -0.001 0.000 0.297 326 A C -1.246 176.352 177.584 0.024 0.000 1.061 326 A CA -0.602 51.453 52.037 0.029 0.000 0.690 326 A CB 2.134 21.148 19.000 0.022 0.000 1.287 326 A HN 0.060 nan 8.150 nan 0.000 0.402 327 M N 3.226 122.844 119.600 0.030 0.000 2.093 327 M HA 0.568 5.048 4.480 -0.001 0.000 0.297 327 M C -1.987 174.332 176.300 0.031 0.000 0.938 327 M CA -0.447 54.877 55.300 0.042 0.000 0.920 327 M CB 0.507 33.149 32.600 0.070 0.000 1.517 327 M HN 0.604 nan 8.290 nan 0.000 0.427 328 I N 6.470 127.047 120.570 0.012 0.000 2.312 328 I HA 0.353 4.522 4.170 -0.001 0.000 0.290 328 I C -0.907 175.183 176.117 -0.044 0.000 1.008 328 I CA -0.526 60.759 61.300 -0.025 0.000 1.226 328 I CB 1.041 39.010 38.000 -0.051 0.000 1.371 328 I HN 0.639 nan 8.210 nan 0.000 0.468 329 L N 5.971 127.157 121.223 -0.062 0.000 2.334 329 L HA 0.472 4.811 4.340 -0.001 0.000 0.276 329 L C 0.494 177.281 176.870 -0.138 0.000 1.014 329 L CA -0.570 54.211 54.840 -0.099 0.000 0.815 329 L CB 1.656 43.670 42.059 -0.076 0.000 1.268 329 L HN 0.629 nan 8.230 nan 0.000 0.428 330 D N 1.142 121.415 120.400 -0.211 0.000 2.928 330 D HA 0.091 4.731 4.640 -0.001 0.000 0.265 330 D C -0.540 175.645 176.300 -0.192 0.000 1.542 330 D CA 0.539 54.345 54.000 -0.323 0.000 1.133 330 D CB 0.377 40.801 40.800 -0.627 0.000 1.057 330 D HN 0.388 nan 8.370 nan 0.000 0.331 331 Y N -2.108 118.210 120.300 0.030 0.000 2.641 331 Y HA 0.469 5.019 4.550 -0.000 0.000 0.333 331 Y C -1.216 174.722 175.900 0.062 0.000 1.174 331 Y CA -1.530 56.586 58.100 0.027 0.000 1.057 331 Y CB 0.479 38.953 38.460 0.023 0.000 1.322 331 Y HN 0.184 nan 8.280 nan 0.000 0.457 332 Q N 0.046 119.991 119.800 0.241 0.000 3.149 332 Q HA -0.059 4.281 4.340 -0.001 0.000 0.055 332 Q C -0.271 175.817 176.000 0.146 0.000 1.662 332 Q CA 0.602 56.453 55.803 0.079 0.000 0.281 332 Q CB -1.163 27.389 28.738 -0.310 0.000 0.584 332 Q HN 1.488 nan 8.270 nan 0.000 0.322 333 C N 0.229 119.617 119.300 0.148 0.000 4.497 333 C HA -0.212 4.248 4.460 -0.001 0.000 0.268 333 C C 0.641 175.729 174.990 0.164 0.000 1.343 333 C CA 0.656 59.802 59.018 0.214 0.000 1.742 333 C CB -2.197 25.725 27.740 0.303 0.000 1.450 333 C HN 0.577 nan 8.230 nan 0.000 0.733 334 I N 1.418 122.001 120.570 0.021 0.000 2.301 334 I HA 0.188 4.358 4.170 -0.001 0.000 0.292 334 I C 0.779 176.922 176.117 0.043 0.000 1.046 334 I CA 0.541 61.794 61.300 -0.079 0.000 1.282 334 I CB 0.561 38.404 38.000 -0.262 0.000 1.409 334 I HN 0.272 nan 8.210 nan 0.000 0.484 335 Q N 8.725 128.586 119.800 0.100 0.000 2.244 335 Q HA 0.051 4.391 4.340 -0.001 0.000 0.278 335 Q C -1.291 174.739 176.000 0.050 0.000 1.093 335 Q CA -1.276 54.565 55.803 0.063 0.000 0.916 335 Q CB 0.613 29.384 28.738 0.055 0.000 1.159 335 Q HN 0.438 nan 8.270 nan 0.000 0.384 336 P HA -0.172 nan 4.420 nan 0.000 0.228 336 P C 1.020 178.341 177.300 0.035 0.000 1.151 336 P CA 1.007 64.125 63.100 0.031 0.000 0.770 336 P CB 0.207 31.921 31.700 0.023 0.000 0.786 337 S N 0.546 116.268 115.700 0.036 0.000 2.420 337 S HA -0.191 4.279 4.470 -0.001 0.000 0.237 337 S C 2.022 176.650 174.600 0.047 0.000 1.023 337 S CA 1.686 59.910 58.200 0.039 0.000 0.991 337 S CB -2.054 61.169 63.200 0.038 0.000 0.792 337 S HN 0.191 nan 8.310 nan 0.000 0.488 338 V N 0.398 120.346 119.914 0.056 0.000 2.469 338 V HA -0.047 4.073 4.120 -0.001 0.000 0.251 338 V C 2.707 178.833 176.094 0.052 0.000 1.064 338 V CA 1.536 63.874 62.300 0.064 0.000 1.066 338 V CB -1.861 30.015 31.823 0.088 0.000 0.667 338 V HN 0.573 nan 8.190 nan 0.000 0.461 339 A N 1.531 124.378 122.820 0.045 0.000 1.933 339 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 339 A C 2.531 180.136 177.584 0.036 0.000 1.175 339 A CA 2.823 54.884 52.037 0.040 0.000 0.628 339 A CB -1.168 17.854 19.000 0.036 0.000 0.814 339 A HN 0.837 nan 8.150 nan 0.000 0.444 340 T N -2.250 112.325 114.554 0.035 0.000 2.894 340 T HA 0.073 4.423 4.350 -0.001 0.000 0.258 340 T C 1.837 176.558 174.700 0.034 0.000 1.043 340 T CA 1.087 63.206 62.100 0.032 0.000 1.141 340 T CB -0.499 68.387 68.868 0.030 0.000 0.873 340 T HN 0.295 nan 8.240 nan 0.000 0.449 341 I N 2.126 122.720 120.570 0.040 0.000 2.286 341 I HA -0.096 4.074 4.170 -0.001 0.000 0.248 341 I C 3.198 179.338 176.117 0.037 0.000 1.115 341 I CA 1.033 62.358 61.300 0.042 0.000 1.392 341 I CB -0.602 37.428 38.000 0.050 0.000 1.065 341 I HN 0.354 nan 8.210 nan 0.000 0.418 342 A N 0.692 123.535 122.820 0.038 0.000 1.948 342 A HA -0.277 4.043 4.320 -0.001 0.000 0.220 342 A C 2.164 179.765 177.584 0.029 0.000 1.177 342 A CA 2.006 54.064 52.037 0.035 0.000 0.636 342 A CB -0.626 18.396 19.000 0.037 0.000 0.815 342 A HN 0.491 nan 8.150 nan 0.000 0.449 343 E N -1.004 119.212 120.200 0.027 0.000 2.110 343 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 343 E C 1.992 178.604 176.600 0.020 0.000 0.988 343 E CA 1.392 57.805 56.400 0.023 0.000 0.804 343 E CB -0.345 29.369 29.700 0.022 0.000 0.745 343 E HN 0.759 nan 8.360 nan 0.000 0.458 344 C N -0.023 119.290 119.300 0.023 0.000 2.492 344 C HA -0.015 4.445 4.460 -0.001 0.000 0.279 344 C C 2.872 177.873 174.990 0.019 0.000 1.335 344 C CA 1.103 60.133 59.018 0.021 0.000 1.734 344 C CB -0.874 26.880 27.740 0.025 0.000 2.027 344 C HN 0.579 nan 8.230 nan 0.000 0.496 345 T N -2.783 111.784 114.554 0.022 0.000 3.044 345 T HA 0.372 4.722 4.350 -0.001 0.000 0.250 345 T C 1.606 176.315 174.700 0.016 0.000 1.081 345 T CA 1.344 63.456 62.100 0.020 0.000 1.040 345 T CB 0.044 68.927 68.868 0.026 0.000 0.962 345 T HN 0.865 nan 8.240 nan 0.000 0.506 346 G N 1.125 109.935 108.800 0.016 0.000 2.199 346 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.254 346 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.254 346 G C 0.263 175.176 174.900 0.021 0.000 0.982 346 G CA 0.158 45.266 45.100 0.014 0.000 0.632 346 G HN 0.732 nan 8.290 nan 0.000 0.529 347 T N 2.260 116.830 114.554 0.027 0.000 2.928 347 T HA 0.437 4.787 4.350 -0.001 0.000 0.305 347 T C 0.571 175.291 174.700 0.033 0.000 1.035 347 T CA 1.008 63.127 62.100 0.033 0.000 1.145 347 T CB 1.090 69.979 68.868 0.035 0.000 0.963 347 T HN 0.242 nan 8.240 nan 0.000 0.545 348 T N 3.881 118.456 114.554 0.035 0.000 2.727 348 T HA 0.345 4.694 4.350 -0.001 0.000 0.298 348 T C 0.201 174.922 174.700 0.034 0.000 0.942 348 T CA -0.521 61.599 62.100 0.033 0.000 0.997 348 T CB 0.304 69.192 68.868 0.033 0.000 0.917 348 T HN 0.321 nan 8.240 nan 0.000 0.487 349 V N 6.029 125.965 119.914 0.037 0.000 2.432 349 V HA 0.446 4.566 4.120 -0.001 0.000 0.275 349 V C 0.109 176.224 176.094 0.035 0.000 1.043 349 V CA -0.584 61.739 62.300 0.039 0.000 0.925 349 V CB 0.843 32.694 31.823 0.046 0.000 0.985 349 V HN 0.771 nan 8.190 nan 0.000 0.466 350 I N 4.668 125.253 120.570 0.025 0.000 2.439 350 I HA 0.381 4.551 4.170 -0.001 0.000 0.285 350 I C 0.404 176.523 176.117 0.004 0.000 1.021 350 I CA -0.355 60.953 61.300 0.013 0.000 1.091 350 I CB 2.275 40.273 38.000 -0.003 0.000 1.242 350 I HN 0.681 nan 8.210 nan 0.000 0.439 351 T N 0.303 114.878 114.554 0.034 0.000 2.918 351 T HA 0.444 4.793 4.350 -0.001 0.000 0.283 351 T C 0.689 175.325 174.700 -0.106 0.000 1.001 351 T CA -0.108 62.028 62.100 0.061 0.000 1.041 351 T CB 1.724 70.736 68.868 0.241 0.000 1.028 351 T HN 0.754 nan 8.240 nan 0.000 0.511 352 T N -2.180 112.336 114.554 -0.064 0.000 3.080 352 T HA 0.324 4.673 4.350 -0.001 0.000 0.280 352 T C 0.254 174.996 174.700 0.070 0.000 0.926 352 T CA -0.529 61.499 62.100 -0.120 0.000 0.883 352 T CB 0.232 69.058 68.868 -0.071 0.000 1.194 352 T HN 0.461 nan 8.240 nan 0.000 0.541 353 M N 1.863 121.593 119.600 0.217 0.000 2.311 353 M HA 0.540 5.020 4.480 -0.001 0.000 0.325 353 M C 0.923 177.387 176.300 0.272 0.000 1.061 353 M CA -0.630 54.809 55.300 0.232 0.000 0.957 353 M CB 1.824 34.569 32.600 0.243 0.000 1.646 353 M HN -0.014 nan 8.290 nan 0.000 0.434 354 E N 3.284 123.590 120.200 0.176 0.000 2.160 354 E HA -0.163 4.187 4.350 -0.001 0.000 0.195 354 E C 1.121 177.726 176.600 0.008 0.000 0.991 354 E CA 1.975 58.416 56.400 0.070 0.000 0.810 354 E CB 0.081 29.802 29.700 0.034 0.000 0.742 354 E HN 0.633 nan 8.360 nan 0.000 0.466 355 M N -1.426 118.193 119.600 0.031 0.000 2.493 355 M HA 0.330 4.809 4.480 -0.001 0.000 0.244 355 M C 0.140 176.457 176.300 0.030 0.000 1.182 355 M CA -0.064 55.236 55.300 0.000 0.000 0.981 355 M CB 0.566 33.145 32.600 -0.035 0.000 1.551 355 M HN -0.098 nan 8.290 nan 0.000 0.476 356 S N 0.958 116.705 115.700 0.080 0.000 2.312 356 S HA 0.483 4.953 4.470 -0.001 0.000 0.173 356 S C -0.808 173.846 174.600 0.090 0.000 1.488 356 S CA -0.723 57.535 58.200 0.096 0.000 1.239 356 S CB 0.262 63.569 63.200 0.179 0.000 1.215 356 S HN 0.417 nan 8.310 nan 0.000 0.438 357 K N 2.355 122.773 120.400 0.031 0.000 2.166 357 K HA 0.671 4.991 4.320 -0.001 0.000 0.245 357 K C -0.819 175.796 176.600 0.025 0.000 0.967 357 K CA -0.859 55.441 56.287 0.021 0.000 0.863 357 K CB 1.731 34.180 32.500 -0.085 0.000 1.107 357 K HN 0.428 nan 8.250 nan 0.000 0.436 358 I N 1.367 121.959 120.570 0.037 0.000 2.478 358 I HA 0.124 4.294 4.170 -0.001 0.000 0.287 358 I C -0.302 175.831 176.117 0.027 0.000 1.042 358 I CA -0.841 60.476 61.300 0.029 0.000 1.067 358 I CB 2.146 40.168 38.000 0.035 0.000 1.233 358 I HN 0.515 nan 8.210 nan 0.000 0.431 359 T N 4.624 119.188 114.554 0.016 0.000 2.866 359 T HA 0.214 4.564 4.350 -0.001 0.000 0.293 359 T C 1.158 175.872 174.700 0.023 0.000 1.005 359 T CA 1.304 63.413 62.100 0.015 0.000 1.162 359 T CB 0.568 69.441 68.868 0.009 0.000 0.968 359 T HN 1.140 nan 8.240 nan 0.000 0.530 360 G N 1.861 110.677 108.800 0.026 0.000 2.213 360 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.236 360 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.236 360 G C 0.261 175.183 174.900 0.037 0.000 0.991 360 G CA -0.071 45.046 45.100 0.029 0.000 0.629 360 G HN 1.152 nan 8.290 nan 0.000 0.517 361 A N 0.091 122.938 122.820 0.045 0.000 2.286 361 A HA 0.761 5.081 4.320 -0.001 0.000 0.286 361 A C 0.596 178.221 177.584 0.069 0.000 1.097 361 A CA 0.811 52.881 52.037 0.055 0.000 0.821 361 A CB 0.567 19.604 19.000 0.061 0.000 1.076 361 A HN 0.682 nan 8.150 nan 0.000 0.490 362 T N 1.297 115.890 114.554 0.065 0.000 2.832 362 T HA 0.349 4.698 4.350 -0.001 0.000 0.296 362 T C -0.414 174.348 174.700 0.104 0.000 0.968 362 T CA 0.511 62.654 62.100 0.073 0.000 1.107 362 T CB 0.038 68.934 68.868 0.046 0.000 0.916 362 T HN 0.645 nan 8.240 nan 0.000 0.517 363 H N 2.271 121.357 119.070 0.027 0.000 2.504 363 H HA 0.550 5.106 4.556 -0.000 0.000 0.322 363 H C -1.073 174.279 175.328 0.039 0.000 1.055 363 H CA -0.469 55.598 56.048 0.032 0.000 1.231 363 H CB 0.559 30.338 29.762 0.028 0.000 1.417 363 H HN 0.315 nan 8.280 nan 0.000 0.472 364 V N 6.233 125.925 119.914 -0.370 0.000 2.349 364 V HA 0.129 4.249 4.120 -0.001 0.000 0.284 364 V C 0.259 176.159 176.094 -0.324 0.000 1.014 364 V CA -0.990 61.181 62.300 -0.215 0.000 0.826 364 V CB 0.830 32.608 31.823 -0.074 0.000 1.009 364 V HN 0.897 nan 8.190 nan 0.000 0.431 365 N N 3.329 121.902 118.700 -0.212 0.000 2.412 365 N HA 0.080 4.820 4.740 -0.001 0.000 0.258 365 N C -0.998 174.536 175.510 0.040 0.000 1.236 365 N CA -0.056 52.961 53.050 -0.056 0.000 0.882 365 N CB 0.378 38.909 38.487 0.074 0.000 1.066 365 N HN 0.572 nan 8.380 nan 0.000 0.465 366 F N 3.317 123.237 119.950 -0.050 0.000 2.411 366 F HA 0.563 5.089 4.527 -0.001 0.000 0.352 366 F C -0.402 175.424 175.800 0.044 0.000 1.123 366 F CA -0.653 57.349 58.000 0.004 0.000 1.044 366 F CB 0.982 39.989 39.000 0.012 0.000 1.135 366 F HN 0.415 nan 8.300 nan 0.000 0.461 367 A N 4.922 127.562 122.820 -0.299 0.000 2.330 367 A HA 0.453 4.773 4.320 -0.001 0.000 0.313 367 A C 0.590 178.007 177.584 -0.278 0.000 1.124 367 A CA -0.584 51.364 52.037 -0.149 0.000 0.774 367 A CB 0.925 19.867 19.000 -0.097 0.000 1.198 367 A HN 0.854 nan 8.150 nan 0.000 0.465 368 E N 1.315 121.508 120.200 -0.012 0.000 2.130 368 E HA -0.229 4.121 4.350 -0.001 0.000 0.196 368 E C 1.103 177.776 176.600 0.121 0.000 0.998 368 E CA 2.172 58.655 56.400 0.137 0.000 0.806 368 E CB -0.045 29.669 29.700 0.023 0.000 0.738 368 E HN 0.846 nan 8.360 nan 0.000 0.459 369 E N -0.200 120.013 120.200 0.022 0.000 2.204 369 E HA -0.083 4.266 4.350 -0.001 0.000 0.195 369 E C 0.808 177.391 176.600 -0.028 0.000 0.990 369 E CA 1.255 57.664 56.400 0.016 0.000 0.821 369 E CB 0.088 29.786 29.700 -0.003 0.000 0.750 369 E HN 0.263 nan 8.360 nan 0.000 0.477 370 A N -0.362 122.391 122.820 -0.112 0.000 2.643 370 A HA 0.655 4.974 4.320 -0.001 0.000 0.295 370 A C 1.492 178.918 177.584 -0.264 0.000 1.065 370 A CA 0.307 52.255 52.037 -0.148 0.000 0.986 370 A CB 0.021 18.941 19.000 -0.135 0.000 1.212 370 A HN 0.170 nan 8.150 nan 0.000 0.516 371 A N -0.297 122.357 122.820 -0.277 0.000 1.883 371 A HA -0.049 4.270 4.320 -0.001 0.000 0.217 371 A C 2.000 179.481 177.584 -0.171 0.000 1.186 371 A CA 2.203 53.982 52.037 -0.430 0.000 0.624 371 A CB -0.696 18.296 19.000 -0.014 0.000 0.822 371 A HN 0.555 nan 8.150 nan 0.000 0.444 372 V N -0.002 119.854 119.914 -0.097 0.000 2.295 372 V HA -0.284 3.836 4.120 -0.001 0.000 0.246 372 V C 2.543 178.610 176.094 -0.044 0.000 1.049 372 V CA 2.379 64.649 62.300 -0.050 0.000 1.024 372 V CB -0.774 31.016 31.823 -0.054 0.000 0.648 372 V HN 0.793 nan 8.190 nan 0.000 0.447 373 E N 0.512 120.671 120.200 -0.067 0.000 2.049 373 E HA -0.289 4.061 4.350 -0.001 0.000 0.198 373 E C 2.089 178.661 176.600 -0.047 0.000 1.007 373 E CA 1.899 58.267 56.400 -0.054 0.000 0.809 373 E CB -0.134 29.529 29.700 -0.062 0.000 0.749 373 E HN 0.605 nan 8.360 nan 0.000 0.450 374 N N 0.550 119.196 118.700 -0.090 0.000 2.104 374 N HA -0.168 4.571 4.740 -0.001 0.000 0.190 374 N C 1.670 177.221 175.510 0.069 0.000 1.024 374 N CA 1.374 54.396 53.050 -0.047 0.000 0.853 374 N CB -0.656 37.724 38.487 -0.179 0.000 1.008 374 N HN 0.293 nan 8.380 nan 0.000 0.424 375 A N 1.547 124.434 122.820 0.111 0.000 1.883 375 A HA -0.177 4.143 4.320 -0.001 0.000 0.217 375 A C 2.151 179.767 177.584 0.053 0.000 1.186 375 A CA 1.552 53.670 52.037 0.135 0.000 0.624 375 A CB -0.431 18.648 19.000 0.133 0.000 0.822 375 A HN 0.276 nan 8.150 nan 0.000 0.444 376 K N -0.839 119.574 120.400 0.022 0.000 2.057 376 K HA -0.204 4.116 4.320 -0.001 0.000 0.207 376 K C 2.422 179.027 176.600 0.008 0.000 1.049 376 K CA 1.528 57.818 56.287 0.005 0.000 0.931 376 K CB -0.193 32.303 32.500 -0.006 0.000 0.714 376 K HN 0.709 nan 8.250 nan 0.000 0.440 377 Q N 1.204 121.010 119.800 0.010 0.000 2.061 377 Q HA -0.198 4.142 4.340 -0.001 0.000 0.204 377 Q C 2.073 178.083 176.000 0.017 0.000 0.984 377 Q CA 1.581 57.390 55.803 0.011 0.000 0.846 377 Q CB -0.104 28.638 28.738 0.007 0.000 0.902 377 Q HN 0.293 nan 8.270 nan 0.000 0.421 378 I N 0.508 121.094 120.570 0.027 0.000 2.127 378 I HA -0.327 3.843 4.170 -0.001 0.000 0.241 378 I C 2.258 178.385 176.117 0.016 0.000 1.075 378 I CA 1.113 62.428 61.300 0.025 0.000 1.334 378 I CB -0.208 37.816 38.000 0.040 0.000 1.040 378 I HN 0.278 nan 8.210 nan 0.000 0.405 379 L N -0.094 121.137 121.223 0.013 0.000 2.201 379 L HA -0.154 4.185 4.340 -0.001 0.000 0.212 379 L C 2.635 179.508 176.870 0.004 0.000 1.105 379 L CA 1.085 55.926 54.840 0.002 0.000 0.775 379 L CB -0.470 41.584 42.059 -0.009 0.000 0.913 379 L HN 0.146 nan 8.230 nan 0.000 0.440 380 R N -0.192 120.313 120.500 0.008 0.000 2.115 380 R HA -0.075 4.265 4.340 -0.001 0.000 0.230 380 R C 2.273 178.586 176.300 0.023 0.000 1.111 380 R CA 0.965 57.072 56.100 0.013 0.000 0.976 380 R CB -0.225 30.081 30.300 0.010 0.000 0.870 380 R HN 0.289 nan 8.270 nan 0.000 0.445 381 L N -0.044 121.193 121.223 0.022 0.000 2.042 381 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 381 L C 2.608 179.501 176.870 0.038 0.000 1.076 381 L CA 1.343 56.200 54.840 0.028 0.000 0.749 381 L CB -0.593 41.480 42.059 0.024 0.000 0.893 381 L HN 0.271 nan 8.230 nan 0.000 0.432 382 A N 0.311 123.152 122.820 0.035 0.000 1.902 382 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 382 A C 2.202 179.832 177.584 0.077 0.000 1.181 382 A CA 1.546 53.611 52.037 0.046 0.000 0.623 382 A CB -0.640 18.375 19.000 0.024 0.000 0.818 382 A HN 0.348 nan 8.150 nan 0.000 0.443 383 I N -0.025 120.580 120.570 0.058 0.000 2.179 383 I HA -0.248 3.922 4.170 -0.001 0.000 0.242 383 I C 1.856 178.057 176.117 0.139 0.000 1.088 383 I CA 1.495 62.847 61.300 0.086 0.000 1.357 383 I CB -0.522 37.498 38.000 0.033 0.000 1.051 383 I HN 0.253 nan 8.210 nan 0.000 0.409 384 D N 0.495 120.947 120.400 0.087 0.000 2.149 384 D HA -0.161 4.479 4.640 -0.001 0.000 0.198 384 D C 2.200 178.545 176.300 0.076 0.000 0.990 384 D CA 1.716 55.760 54.000 0.073 0.000 0.839 384 D CB -0.433 40.395 40.800 0.046 0.000 0.948 384 D HN 0.313 nan 8.370 nan 0.000 0.460 385 T N 0.477 115.081 114.554 0.083 0.000 2.777 385 T HA -0.121 4.229 4.350 -0.001 0.000 0.266 385 T C 1.706 176.455 174.700 0.081 0.000 1.040 385 T CA 0.516 62.657 62.100 0.067 0.000 1.141 385 T CB -0.472 68.434 68.868 0.064 0.000 0.868 385 T HN 0.139 nan 8.240 nan 0.000 0.444 386 F N 2.384 122.334 119.950 0.000 0.000 2.091 386 F HA -0.159 4.368 4.527 -0.001 0.000 0.299 386 F C 2.137 177.937 175.800 -0.000 0.000 1.103 386 F CA 1.445 59.444 58.000 -0.001 0.000 1.228 386 F CB -0.208 38.791 39.000 -0.003 0.000 0.984 386 F HN -0.019 nan 8.300 nan 0.000 0.477 387 K N -0.068 120.356 120.400 0.039 0.000 2.097 387 K HA -0.157 4.162 4.320 -0.001 0.000 0.206 387 K C 2.171 178.695 176.600 -0.126 0.000 1.049 387 K CA 1.492 57.743 56.287 -0.060 0.000 0.933 387 K CB -0.264 32.271 32.500 0.059 0.000 0.717 387 K HN 0.304 nan 8.250 nan 0.000 0.442 388 R N 0.856 121.311 120.500 -0.076 0.000 2.189 388 R HA -0.107 4.233 4.340 -0.001 0.000 0.223 388 R C 1.860 178.097 176.300 -0.104 0.000 1.092 388 R CA 1.106 57.166 56.100 -0.067 0.000 0.989 388 R CB -0.048 30.235 30.300 -0.029 0.000 0.876 388 R HN 0.278 nan 8.270 nan 0.000 0.457 389 R N 0.837 121.233 120.500 -0.173 0.000 2.388 389 R HA 0.131 4.471 4.340 -0.001 0.000 0.247 389 R C 0.092 176.245 176.300 -0.245 0.000 0.931 389 R CA -0.247 55.745 56.100 -0.180 0.000 1.082 389 R CB 0.039 30.246 30.300 -0.154 0.000 1.135 389 R HN -0.167 nan 8.270 nan 0.000 0.525 390 K N 1.332 121.563 120.400 -0.282 0.000 2.491 390 K HA -0.019 4.301 4.320 -0.001 0.000 0.279 390 K C 0.637 177.152 176.600 -0.140 0.000 1.026 390 K CA 1.505 57.646 56.287 -0.243 0.000 1.070 390 K CB 0.037 32.430 32.500 -0.178 0.000 0.887 390 K HN 0.485 nan 8.250 nan 0.000 0.481 391 G N 3.230 111.960 108.800 -0.117 0.000 2.179 391 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.260 391 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.260 391 G C -0.405 174.459 174.900 -0.060 0.000 0.977 391 G CA 0.356 45.414 45.100 -0.071 0.000 0.641 391 G HN 0.602 nan 8.290 nan 0.000 0.533 392 K N 1.649 122.004 120.400 -0.075 0.000 2.201 392 K HA 0.448 4.767 4.320 -0.001 0.000 0.278 392 K C -2.062 174.512 176.600 -0.043 0.000 1.027 392 K CA -1.443 54.811 56.287 -0.055 0.000 0.909 392 K CB 1.536 34.000 32.500 -0.059 0.000 1.062 392 K HN 0.151 nan 8.250 nan 0.000 0.465 393 P HA 0.045 nan 4.420 nan 0.000 0.271 393 P C -0.500 176.791 177.300 -0.014 0.000 1.216 393 P CA -0.420 62.669 63.100 -0.018 0.000 0.776 393 P CB 0.870 32.563 31.700 -0.012 0.000 0.881 394 V N -0.997 118.913 119.914 -0.007 0.000 2.960 394 V HA 0.577 4.696 4.120 -0.001 0.000 0.315 394 V C -0.329 175.767 176.094 0.004 0.000 1.087 394 V CA -0.903 61.397 62.300 0.000 0.000 0.982 394 V CB 2.144 33.971 31.823 0.007 0.000 1.039 394 V HN 0.614 nan 8.190 nan 0.000 0.437 395 E N 2.375 122.579 120.200 0.006 0.000 2.489 395 E HA 0.486 4.836 4.350 -0.001 0.000 0.232 395 E C -1.265 175.340 176.600 0.007 0.000 0.990 395 E CA -0.552 55.851 56.400 0.006 0.000 0.768 395 E CB 1.033 30.735 29.700 0.004 0.000 1.270 395 E HN 0.794 nan 8.360 nan 0.000 0.423 396 I N 5.435 126.010 120.570 0.008 0.000 2.301 396 I HA 0.246 4.415 4.170 -0.001 0.000 0.292 396 I C -2.041 174.078 176.117 0.004 0.000 1.046 396 I CA -2.158 59.147 61.300 0.008 0.000 1.282 396 I CB 0.907 38.913 38.000 0.011 0.000 1.409 396 I HN 0.310 nan 8.210 nan 0.000 0.484 397 P HA -0.044 nan 4.420 nan 0.000 0.262 397 P C -0.312 176.986 177.300 -0.003 0.000 1.182 397 P CA -0.011 63.088 63.100 -0.002 0.000 0.761 397 P CB 0.358 32.055 31.700 -0.005 0.000 0.795 398 N N 3.438 122.136 118.700 -0.003 0.000 3.303 398 N HA 0.169 4.908 4.740 -0.001 0.000 0.304 398 N C -0.991 174.516 175.510 -0.006 0.000 1.302 398 N CA 0.072 53.120 53.050 -0.003 0.000 1.213 398 N CB -0.910 37.576 38.487 -0.001 0.000 1.481 398 N HN 0.292 nan 8.380 nan 0.000 0.546 399 I N 1.747 122.312 120.570 -0.008 0.000 2.468 399 I HA 0.325 4.494 4.170 -0.001 0.000 0.285 399 I C -0.679 175.430 176.117 -0.015 0.000 1.039 399 I CA -0.775 60.516 61.300 -0.014 0.000 1.074 399 I CB 1.497 39.485 38.000 -0.019 0.000 1.228 399 I HN 0.191 nan 8.210 nan 0.000 0.436 400 K N 3.154 123.546 120.400 -0.013 0.000 2.575 400 K HA 0.746 5.066 4.320 -0.001 0.000 0.279 400 K C -1.170 175.426 176.600 -0.007 0.000 0.969 400 K CA -0.821 55.460 56.287 -0.009 0.000 0.868 400 K CB 2.243 34.742 32.500 -0.002 0.000 1.457 400 K HN 0.457 nan 8.250 nan 0.000 0.426 401 T N -1.748 112.807 114.554 0.001 0.000 2.924 401 T HA 0.400 4.749 4.350 -0.001 0.000 0.291 401 T C -0.632 174.081 174.700 0.022 0.000 1.045 401 T CA -1.018 61.087 62.100 0.008 0.000 1.015 401 T CB 1.683 70.558 68.868 0.012 0.000 1.103 401 T HN 0.691 nan 8.240 nan 0.000 0.496 402 K N 1.170 121.585 120.400 0.024 0.000 2.249 402 K HA 0.528 4.847 4.320 -0.001 0.000 0.280 402 K C -1.323 175.310 176.600 0.055 0.000 1.033 402 K CA -0.643 55.664 56.287 0.034 0.000 0.946 402 K CB 0.537 33.054 32.500 0.028 0.000 1.005 402 K HN 0.484 nan 8.250 nan 0.000 0.469 403 V N 5.167 125.122 119.914 0.068 0.000 2.443 403 V HA 0.240 4.359 4.120 -0.001 0.000 0.293 403 V C -0.776 175.382 176.094 0.108 0.000 1.021 403 V CA -0.996 61.365 62.300 0.101 0.000 0.848 403 V CB 1.711 33.604 31.823 0.116 0.000 0.998 403 V HN 0.585 nan 8.190 nan 0.000 0.424 404 V N 4.665 124.666 119.914 0.144 0.000 2.407 404 V HA 0.898 5.017 4.120 -0.001 0.000 0.278 404 V C 0.494 176.752 176.094 0.273 0.000 1.037 404 V CA 0.285 62.690 62.300 0.174 0.000 0.900 404 V CB 1.063 33.013 31.823 0.211 0.000 0.983 404 V HN 1.074 nan 8.190 nan 0.000 0.459 405 A N 3.274 126.187 122.820 0.155 0.000 3.005 405 A HA 0.907 5.227 4.320 -0.001 0.000 0.282 405 A C 0.842 178.306 177.584 -0.200 0.000 1.218 405 A CA -0.167 51.959 52.037 0.148 0.000 0.703 405 A CB 0.684 19.709 19.000 0.041 0.000 1.387 405 A HN 1.971 nan 8.150 nan 0.000 0.592 406 G N -1.946 106.714 108.800 -0.233 0.000 2.149 406 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.235 406 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.235 406 G C -0.230 174.432 174.900 -0.397 0.000 1.018 406 G CA 0.366 45.270 45.100 -0.325 0.000 0.728 406 G HN 0.849 nan 8.290 nan 0.000 0.508 407 F N 3.056 122.991 119.950 -0.026 0.000 2.606 407 F HA 0.422 4.948 4.527 -0.001 0.000 0.347 407 F C 1.599 177.400 175.800 0.002 0.000 1.207 407 F CA -0.041 57.962 58.000 0.006 0.000 1.306 407 F CB 0.019 39.042 39.000 0.039 0.000 1.657 407 F HN 0.317 nan 8.300 nan 0.000 0.606 408 S N -1.094 114.638 115.700 0.052 0.000 2.580 408 S HA -0.021 4.449 4.470 -0.001 0.000 0.261 408 S C 1.468 176.113 174.600 0.074 0.000 1.366 408 S CA -0.265 57.959 58.200 0.041 0.000 0.996 408 S CB 0.828 64.025 63.200 -0.006 0.000 0.902 408 S HN 0.445 nan 8.310 nan 0.000 0.566 409 T N 1.502 116.084 114.554 0.048 0.000 2.821 409 T HA -0.065 4.285 4.350 -0.001 0.000 0.267 409 T C 1.588 176.319 174.700 0.052 0.000 1.046 409 T CA 1.840 63.972 62.100 0.053 0.000 1.139 409 T CB -0.516 68.370 68.868 0.031 0.000 0.871 409 T HN 0.745 nan 8.240 nan 0.000 0.454 410 E N 1.483 121.705 120.200 0.036 0.000 2.077 410 E HA -0.012 4.338 4.350 -0.001 0.000 0.193 410 E C 2.400 179.022 176.600 0.036 0.000 0.989 410 E CA 1.164 57.583 56.400 0.031 0.000 0.800 410 E CB -0.428 29.284 29.700 0.019 0.000 0.746 410 E HN 0.482 nan 8.360 nan 0.000 0.452 411 A N 0.626 123.466 122.820 0.034 0.000 1.902 411 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 411 A C 2.241 179.895 177.584 0.117 0.000 1.181 411 A CA 1.227 53.283 52.037 0.033 0.000 0.623 411 A CB -0.633 18.339 19.000 -0.046 0.000 0.818 411 A HN 0.189 nan 8.150 nan 0.000 0.443 412 I N -0.412 120.256 120.570 0.164 0.000 2.179 412 I HA -0.251 3.919 4.170 -0.001 0.000 0.242 412 I C 2.306 178.485 176.117 0.102 0.000 1.088 412 I CA 1.309 62.713 61.300 0.174 0.000 1.357 412 I CB -0.329 37.755 38.000 0.141 0.000 1.051 412 I HN 0.299 nan 8.210 nan 0.000 0.409 413 I N 0.851 121.465 120.570 0.074 0.000 2.226 413 I HA -0.326 3.843 4.170 -0.001 0.000 0.245 413 I C 2.350 178.496 176.117 0.049 0.000 1.100 413 I CA 1.658 62.989 61.300 0.052 0.000 1.374 413 I CB -0.526 37.499 38.000 0.041 0.000 1.057 413 I HN 0.328 nan 8.210 nan 0.000 0.413 414 N N 1.210 119.939 118.700 0.049 0.000 2.120 414 N HA -0.175 4.564 4.740 -0.001 0.000 0.188 414 N C 1.806 177.346 175.510 0.050 0.000 1.024 414 N CA 1.730 54.804 53.050 0.040 0.000 0.852 414 N CB -0.096 38.407 38.487 0.028 0.000 1.003 414 N HN 0.327 nan 8.380 nan 0.000 0.424 415 A N 0.511 123.377 122.820 0.076 0.000 1.877 415 A HA -0.073 4.247 4.320 -0.001 0.000 0.216 415 A C 2.310 179.933 177.584 0.065 0.000 1.186 415 A CA 1.215 53.306 52.037 0.090 0.000 0.620 415 A CB -0.903 18.190 19.000 0.155 0.000 0.822 415 A HN 0.379 nan 8.150 nan 0.000 0.443 416 L N 0.538 121.796 121.223 0.059 0.000 2.141 416 L HA -0.153 4.187 4.340 -0.001 0.000 0.209 416 L C 2.907 179.797 176.870 0.034 0.000 1.094 416 L CA 1.366 56.232 54.840 0.042 0.000 0.763 416 L CB -0.415 41.667 42.059 0.038 0.000 0.908 416 L HN 0.623 nan 8.230 nan 0.000 0.437 417 S N -0.695 115.025 115.700 0.033 0.000 2.442 417 S HA -0.135 4.334 4.470 -0.001 0.000 0.236 417 S C 1.858 176.472 174.600 0.023 0.000 1.007 417 S CA 0.593 58.809 58.200 0.026 0.000 0.965 417 S CB -0.196 63.018 63.200 0.024 0.000 0.773 417 S HN 0.269 nan 8.310 nan 0.000 0.504 418 K N 1.280 121.696 120.400 0.027 0.000 2.362 418 K HA 0.219 4.539 4.320 -0.001 0.000 0.200 418 K C 1.730 178.343 176.600 0.022 0.000 1.046 418 K CA 0.571 56.873 56.287 0.024 0.000 0.952 418 K CB -0.565 31.952 32.500 0.029 0.000 0.753 418 K HN 0.482 nan 8.250 nan 0.000 0.466 419 L N -0.913 120.324 121.223 0.022 0.000 2.408 419 L HA 0.105 4.445 4.340 -0.001 0.000 0.215 419 L C 0.291 177.171 176.870 0.016 0.000 1.081 419 L CA 0.139 54.990 54.840 0.019 0.000 0.840 419 L CB 0.120 42.191 42.059 0.020 0.000 1.002 419 L HN 0.128 nan 8.230 nan 0.000 0.468 420 N N -0.772 117.938 118.700 0.017 0.000 2.747 420 N HA 0.280 5.019 4.740 -0.001 0.000 0.262 420 N C 0.450 175.969 175.510 0.015 0.000 1.261 420 N CA 0.163 53.222 53.050 0.015 0.000 0.809 420 N CB 1.268 39.764 38.487 0.015 0.000 1.450 420 N HN 0.006 nan 8.380 nan 0.000 0.560 421 A N 2.987 125.815 122.820 0.013 0.000 1.902 421 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 421 A C 1.302 178.893 177.584 0.012 0.000 1.181 421 A CA 1.438 53.483 52.037 0.013 0.000 0.623 421 A CB -0.300 18.706 19.000 0.010 0.000 0.818 421 A HN 0.808 nan 8.150 nan 0.000 0.443 422 N N -1.208 117.498 118.700 0.010 0.000 2.236 422 N HA 0.106 4.846 4.740 -0.001 0.000 0.196 422 N C -0.565 174.950 175.510 0.010 0.000 1.114 422 N CA 0.341 53.397 53.050 0.009 0.000 0.859 422 N CB 0.601 39.093 38.487 0.007 0.000 0.982 422 N HN 0.258 nan 8.380 nan 0.000 0.493 423 D N -0.177 120.230 120.400 0.011 0.000 2.968 423 D HA 0.119 4.759 4.640 -0.001 0.000 0.301 423 D C -2.041 174.268 176.300 0.015 0.000 1.226 423 D CA -1.876 52.132 54.000 0.012 0.000 0.746 423 D CB 0.809 41.615 40.800 0.011 0.000 1.278 423 D HN -0.055 nan 8.370 nan 0.000 0.544 424 P HA -0.089 nan 4.420 nan 0.000 0.218 424 P C 1.763 179.076 177.300 0.022 0.000 1.149 424 P CA 0.545 63.657 63.100 0.021 0.000 0.817 424 P CB 0.541 32.255 31.700 0.024 0.000 0.785 425 L N -0.430 120.805 121.223 0.020 0.000 2.217 425 L HA -0.058 4.282 4.340 -0.001 0.000 0.211 425 L C 2.790 179.670 176.870 0.017 0.000 1.107 425 L CA 1.107 55.958 54.840 0.020 0.000 0.783 425 L CB -0.782 41.288 42.059 0.019 0.000 0.919 425 L HN -0.010 nan 8.230 nan 0.000 0.442 426 K N 0.826 121.235 120.400 0.016 0.000 2.032 426 K HA -0.171 4.149 4.320 -0.001 0.000 0.209 426 K C -0.535 176.074 176.600 0.015 0.000 1.048 426 K CA 1.497 57.792 56.287 0.014 0.000 0.927 426 K CB -0.718 31.790 32.500 0.013 0.000 0.712 426 K HN 0.152 nan 8.250 nan 0.000 0.441 427 P HA -0.176 nan 4.420 nan 0.000 0.216 427 P C 1.323 178.633 177.300 0.016 0.000 1.150 427 P CA 0.880 63.990 63.100 0.016 0.000 0.837 427 P CB -0.022 31.688 31.700 0.017 0.000 0.786 428 L N -0.499 120.733 121.223 0.016 0.000 1.994 428 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 428 L C 2.243 179.122 176.870 0.015 0.000 1.071 428 L CA 1.816 56.665 54.840 0.015 0.000 0.745 428 L CB -1.324 40.744 42.059 0.015 0.000 0.892 428 L HN -0.140 nan 8.230 nan 0.000 0.431 429 I N -0.403 120.176 120.570 0.015 0.000 2.286 429 I HA -0.276 3.893 4.170 -0.001 0.000 0.248 429 I C 2.049 178.176 176.117 0.017 0.000 1.115 429 I CA 1.208 62.518 61.300 0.016 0.000 1.392 429 I CB -0.629 37.380 38.000 0.015 0.000 1.065 429 I HN 0.279 nan 8.210 nan 0.000 0.418 430 D N 0.966 121.375 120.400 0.016 0.000 2.133 430 D HA -0.181 4.458 4.640 -0.001 0.000 0.195 430 D C 1.883 178.193 176.300 0.017 0.000 0.997 430 D CA 1.257 55.266 54.000 0.016 0.000 0.840 430 D CB -0.442 40.367 40.800 0.014 0.000 0.947 430 D HN 0.364 nan 8.370 nan 0.000 0.452 431 N N 0.150 118.861 118.700 0.017 0.000 2.354 431 N HA -0.061 4.679 4.740 -0.001 0.000 0.179 431 N C 1.974 177.497 175.510 0.022 0.000 1.021 431 N CA 0.217 53.278 53.050 0.018 0.000 0.887 431 N CB 0.325 38.821 38.487 0.015 0.000 0.974 431 N HN 0.075 nan 8.380 nan 0.000 0.437 432 V N 1.019 120.946 119.914 0.022 0.000 2.295 432 V HA -0.160 3.959 4.120 -0.001 0.000 0.246 432 V C 2.480 178.594 176.094 0.033 0.000 1.049 432 V CA 1.188 63.504 62.300 0.027 0.000 1.024 432 V CB -0.457 31.379 31.823 0.023 0.000 0.648 432 V HN 0.028 nan 8.190 nan 0.000 0.447 433 V N 2.144 122.075 119.914 0.029 0.000 2.343 433 V HA -0.209 3.911 4.120 -0.001 0.000 0.247 433 V C 2.153 178.266 176.094 0.031 0.000 1.051 433 V CA 2.235 64.554 62.300 0.032 0.000 1.036 433 V CB -0.963 30.876 31.823 0.026 0.000 0.654 433 V HN 0.909 nan 8.190 nan 0.000 0.451 434 N N 0.426 119.141 118.700 0.025 0.000 2.461 434 N HA 0.147 4.886 4.740 -0.001 0.000 0.188 434 N C 1.293 176.817 175.510 0.023 0.000 1.134 434 N CA 1.071 54.134 53.050 0.021 0.000 0.878 434 N CB 0.371 38.867 38.487 0.016 0.000 0.972 434 N HN 0.473 nan 8.380 nan 0.000 0.456 435 G N -0.003 108.816 108.800 0.032 0.000 2.195 435 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.246 435 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.246 435 G C 0.824 175.743 174.900 0.032 0.000 0.984 435 G CA 0.313 45.436 45.100 0.037 0.000 0.633 435 G HN 0.518 nan 8.290 nan 0.000 0.525 436 N N -0.400 118.314 118.700 0.025 0.000 2.223 436 N HA 0.040 4.779 4.740 -0.001 0.000 0.185 436 N C 0.350 175.875 175.510 0.024 0.000 1.016 436 N CA 0.863 53.925 53.050 0.021 0.000 0.863 436 N CB 0.079 38.576 38.487 0.017 0.000 0.983 436 N HN 0.341 nan 8.380 nan 0.000 0.429 437 I N 0.860 121.445 120.570 0.025 0.000 2.355 437 I HA 0.140 4.310 4.170 -0.001 0.000 0.288 437 I C 1.086 177.223 176.117 0.033 0.000 0.999 437 I CA -0.133 61.182 61.300 0.025 0.000 1.163 437 I CB 1.590 39.600 38.000 0.018 0.000 1.316 437 I HN 0.053 nan 8.210 nan 0.000 0.454 438 R N 4.401 124.923 120.500 0.038 0.000 2.073 438 R HA 0.126 4.466 4.340 -0.001 0.000 0.229 438 R C 0.787 177.109 176.300 0.035 0.000 1.120 438 R CA 1.239 57.370 56.100 0.050 0.000 0.967 438 R CB 0.425 30.760 30.300 0.059 0.000 0.862 438 R HN 0.859 nan 8.270 nan 0.000 0.436 439 G N -1.486 107.325 108.800 0.018 0.000 2.427 439 G HA2 0.368 4.327 3.960 -0.001 0.000 0.306 439 G HA3 0.368 4.327 3.960 -0.001 0.000 0.306 439 G C -1.903 172.991 174.900 -0.011 0.000 1.280 439 G CA -0.629 44.471 45.100 -0.000 0.000 0.837 439 G HN -0.010 nan 8.290 nan 0.000 0.482 440 V N -0.440 119.456 119.914 -0.030 0.000 2.588 440 V HA 0.598 4.718 4.120 -0.001 0.000 0.304 440 V C -0.613 175.430 176.094 -0.084 0.000 1.042 440 V CA -0.725 61.550 62.300 -0.042 0.000 0.877 440 V CB 1.341 33.145 31.823 -0.030 0.000 0.996 440 V HN 0.999 nan 8.190 nan 0.000 0.425 441 C N 6.783 126.013 119.300 -0.117 0.000 2.340 441 C HA 0.740 5.199 4.460 -0.001 0.000 0.323 441 C C -0.467 174.362 174.990 -0.268 0.000 1.260 441 C CA -0.670 58.202 59.018 -0.243 0.000 1.464 441 C CB 0.491 28.015 27.740 -0.360 0.000 2.156 441 C HN 0.871 nan 8.230 nan 0.000 0.476 442 L N 6.773 127.844 121.223 -0.254 0.000 2.260 442 L HA 0.603 4.943 4.340 -0.001 0.000 0.289 442 L C -0.955 175.755 176.870 -0.267 0.000 1.057 442 L CA 0.305 55.042 54.840 -0.172 0.000 0.811 442 L CB 0.071 42.082 42.059 -0.079 0.000 1.184 442 L HN 0.598 nan 8.230 nan 0.000 0.429 443 F N 4.951 124.915 119.950 0.023 0.000 2.411 443 F HA 0.707 5.234 4.527 -0.001 0.000 0.350 443 F C 0.697 176.527 175.800 0.049 0.000 1.114 443 F CA 0.216 58.269 58.000 0.089 0.000 1.135 443 F CB 1.191 40.251 39.000 0.101 0.000 1.120 443 F HN 0.706 nan 8.300 nan 0.000 0.495 444 A N 2.044 125.042 122.820 0.297 0.000 2.532 444 A HA 0.910 5.230 4.320 -0.001 0.000 0.290 444 A C 0.058 177.790 177.584 0.248 0.000 1.143 444 A CA -0.221 51.915 52.037 0.165 0.000 0.728 444 A CB 1.087 20.116 19.000 0.048 0.000 1.317 444 A HN 1.507 nan 8.150 nan 0.000 0.414 445 G N -1.396 107.503 108.800 0.164 0.000 2.632 445 G HA2 0.053 4.012 3.960 -0.001 0.000 0.224 445 G HA3 0.053 4.012 3.960 -0.001 0.000 0.224 445 G C 0.265 175.312 174.900 0.245 0.000 1.341 445 G CA -0.342 44.869 45.100 0.185 0.000 0.880 445 G HN 1.878 nan 8.290 nan 0.000 0.566 446 C N 0.285 119.726 119.300 0.234 0.000 2.365 446 C HA 0.727 5.187 4.460 -0.001 0.000 0.374 446 C C 0.802 175.966 174.990 0.290 0.000 1.318 446 C CA -0.991 58.153 59.018 0.210 0.000 2.239 446 C CB 0.671 28.501 27.740 0.149 0.000 2.144 446 C HN 0.804 nan 8.230 nan 0.000 0.581 447 N N 1.997 120.825 118.700 0.213 0.000 2.476 447 N HA 0.336 5.076 4.740 -0.001 0.000 0.275 447 N C -0.832 174.706 175.510 0.047 0.000 1.190 447 N CA -0.038 53.114 53.050 0.169 0.000 0.977 447 N CB 0.695 39.277 38.487 0.159 0.000 1.200 447 N HN 0.694 nan 8.380 nan 0.000 0.515 448 N N 0.244 118.936 118.700 -0.014 0.000 2.336 448 N HA 0.077 4.816 4.740 -0.001 0.000 0.290 448 N C 0.322 175.731 175.510 -0.169 0.000 1.058 448 N CA -0.401 52.588 53.050 -0.103 0.000 0.865 448 N CB 1.842 40.268 38.487 -0.102 0.000 1.581 448 N HN 0.175 nan 8.380 nan 0.000 0.480 449 V N 4.433 124.153 119.914 -0.324 0.000 2.688 449 V HA -0.165 3.954 4.120 -0.001 0.000 0.256 449 V C 1.878 177.692 176.094 -0.467 0.000 1.084 449 V CA 1.892 63.905 62.300 -0.479 0.000 1.103 449 V CB -0.267 31.139 31.823 -0.695 0.000 0.688 449 V HN 0.632 nan 8.190 nan 0.000 0.480 450 K N -0.671 119.449 120.400 -0.466 0.000 2.283 450 K HA 0.021 4.340 4.320 -0.001 0.000 0.202 450 K C 0.455 177.040 176.600 -0.026 0.000 1.048 450 K CA 0.522 56.641 56.287 -0.279 0.000 0.948 450 K CB 0.118 32.510 32.500 -0.180 0.000 0.742 450 K HN 0.391 nan 8.250 nan 0.000 0.458 451 V N 2.776 122.679 119.914 -0.018 0.000 2.417 451 V HA 0.190 4.310 4.120 -0.001 0.000 0.291 451 V C -2.467 173.690 176.094 0.105 0.000 1.024 451 V CA -2.508 59.810 62.300 0.030 0.000 0.861 451 V CB 1.401 33.209 31.823 -0.024 0.000 0.985 451 V HN -0.045 nan 8.190 nan 0.000 0.436 452 P HA -0.041 nan 4.420 nan 0.000 0.258 452 P C -0.145 177.246 177.300 0.151 0.000 1.172 452 P CA 0.299 63.489 63.100 0.150 0.000 0.762 452 P CB 0.226 31.976 31.700 0.083 0.000 0.764 453 Q N 3.844 123.792 119.800 0.247 0.000 2.262 453 Q HA -0.136 4.204 4.340 -0.001 0.000 0.298 453 Q C 0.036 176.149 176.000 0.188 0.000 1.083 453 Q CA 0.767 56.725 55.803 0.259 0.000 0.962 453 Q CB -0.156 28.814 28.738 0.388 0.000 1.104 453 Q HN 0.485 nan 8.270 nan 0.000 0.376 454 D N 1.687 122.194 120.400 0.178 0.000 2.748 454 D HA -0.273 4.367 4.640 -0.001 0.000 0.189 454 D C 0.859 177.146 176.300 -0.022 0.000 0.982 454 D CA 1.442 55.528 54.000 0.143 0.000 1.017 454 D CB -0.811 40.051 40.800 0.102 0.000 1.076 454 D HN 0.824 nan 8.370 nan 0.000 0.446 455 Q N 0.459 120.242 119.800 -0.028 0.000 2.084 455 Q HA -0.168 4.171 4.340 -0.001 0.000 0.202 455 Q C 1.668 177.609 176.000 -0.099 0.000 0.978 455 Q CA 1.870 57.633 55.803 -0.066 0.000 0.844 455 Q CB 0.084 28.809 28.738 -0.022 0.000 0.898 455 Q HN 0.301 nan 8.270 nan 0.000 0.426 456 N N -0.225 118.392 118.700 -0.139 0.000 2.135 456 N HA -0.092 4.647 4.740 -0.001 0.000 0.186 456 N C 1.457 176.813 175.510 -0.257 0.000 1.027 456 N CA 1.186 54.123 53.050 -0.189 0.000 0.849 456 N CB -0.524 37.817 38.487 -0.244 0.000 1.002 456 N HN 0.241 nan 8.380 nan 0.000 0.425 457 F N 1.146 120.945 119.950 -0.252 0.000 2.091 457 F HA -0.234 4.293 4.527 -0.001 0.000 0.299 457 F C 2.710 178.099 175.800 -0.685 0.000 1.103 457 F CA 1.660 59.325 58.000 -0.559 0.000 1.228 457 F CB -0.783 37.895 39.000 -0.538 0.000 0.984 457 F HN 0.175 nan 8.300 nan 0.000 0.477 458 T N -3.897 110.470 114.554 -0.311 0.000 2.896 458 T HA -0.106 4.244 4.350 -0.001 0.000 0.263 458 T C 1.822 176.434 174.700 -0.147 0.000 1.050 458 T CA 1.585 63.468 62.100 -0.362 0.000 1.140 458 T CB -0.884 67.837 68.868 -0.245 0.000 0.877 458 T HN 0.146 nan 8.240 nan 0.000 0.457 459 T N 2.264 116.754 114.554 -0.107 0.000 2.708 459 T HA 0.111 4.461 4.350 -0.001 0.000 0.266 459 T C 1.916 176.606 174.700 -0.017 0.000 1.037 459 T CA 1.413 63.491 62.100 -0.037 0.000 1.146 459 T CB -0.421 68.425 68.868 -0.036 0.000 0.865 459 T HN 0.394 nan 8.240 nan 0.000 0.435 460 I N 1.290 121.836 120.570 -0.041 0.000 2.202 460 I HA -0.120 4.050 4.170 -0.001 0.000 0.242 460 I C 2.972 179.169 176.117 0.133 0.000 1.091 460 I CA 1.008 62.348 61.300 0.065 0.000 1.368 460 I CB -0.550 37.557 38.000 0.178 0.000 1.058 460 I HN 0.172 nan 8.210 nan 0.000 0.410 461 A N 1.038 123.823 122.820 -0.059 0.000 1.908 461 A HA -0.243 4.076 4.320 -0.001 0.000 0.218 461 A C 2.404 180.083 177.584 0.159 0.000 1.181 461 A CA 1.731 53.768 52.037 -0.001 0.000 0.627 461 A CB -0.661 18.029 19.000 -0.517 0.000 0.818 461 A HN 0.322 nan 8.150 nan 0.000 0.445 462 R N -0.800 119.800 120.500 0.167 0.000 2.091 462 R HA -0.167 4.172 4.340 -0.001 0.000 0.238 462 R C 2.360 178.740 176.300 0.133 0.000 1.136 462 R CA 1.808 58.035 56.100 0.211 0.000 0.959 462 R CB -0.246 30.161 30.300 0.179 0.000 0.856 462 R HN 0.530 nan 8.270 nan 0.000 0.437 463 K N 1.020 121.481 120.400 0.102 0.000 2.026 463 K HA -0.082 4.238 4.320 -0.001 0.000 0.208 463 K C 1.923 178.575 176.600 0.086 0.000 1.048 463 K CA 1.201 57.535 56.287 0.078 0.000 0.929 463 K CB -0.136 32.398 32.500 0.058 0.000 0.713 463 K HN 0.076 nan 8.250 nan 0.000 0.439 464 L N 0.318 121.609 121.223 0.113 0.000 2.056 464 L HA -0.139 4.201 4.340 -0.001 0.000 0.207 464 L C 2.346 179.278 176.870 0.103 0.000 1.078 464 L CA 1.012 55.915 54.840 0.104 0.000 0.749 464 L CB -0.502 41.635 42.059 0.130 0.000 0.901 464 L HN 0.181 nan 8.230 nan 0.000 0.433 465 L N -0.305 120.998 121.223 0.132 0.000 2.046 465 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 465 L C 2.714 179.633 176.870 0.081 0.000 1.077 465 L CA 1.085 55.995 54.840 0.117 0.000 0.747 465 L CB -0.516 41.638 42.059 0.158 0.000 0.896 465 L HN 0.201 nan 8.230 nan 0.000 0.432 466 K N -0.177 120.269 120.400 0.077 0.000 2.209 466 K HA -0.121 4.198 4.320 -0.001 0.000 0.204 466 K C 1.698 178.328 176.600 0.049 0.000 1.048 466 K CA 0.935 57.254 56.287 0.054 0.000 0.940 466 K CB -0.114 32.416 32.500 0.050 0.000 0.729 466 K HN 0.344 nan 8.250 nan 0.000 0.451 467 Q N 0.749 120.583 119.800 0.057 0.000 2.247 467 Q HA 0.064 4.404 4.340 -0.001 0.000 0.205 467 Q C -0.396 175.635 176.000 0.052 0.000 0.896 467 Q CA -0.078 55.758 55.803 0.055 0.000 0.950 467 Q CB 0.107 28.880 28.738 0.059 0.000 1.054 467 Q HN 0.238 nan 8.270 nan 0.000 0.482 468 N N -0.727 118.002 118.700 0.049 0.000 2.776 468 N HA -0.142 4.597 4.740 -0.001 0.000 0.250 468 N C -0.578 174.956 175.510 0.040 0.000 1.112 468 N CA 0.431 53.506 53.050 0.042 0.000 0.733 468 N CB -1.778 36.732 38.487 0.037 0.000 1.097 468 N HN 0.043 nan 8.380 nan 0.000 0.558 469 V N 1.435 121.376 119.914 0.045 0.000 2.555 469 V HA 0.143 4.263 4.120 -0.001 0.000 0.286 469 V C 0.961 177.077 176.094 0.036 0.000 1.044 469 V CA -0.625 61.695 62.300 0.034 0.000 1.026 469 V CB 1.347 33.189 31.823 0.032 0.000 0.981 469 V HN 0.221 nan 8.190 nan 0.000 0.480 470 L N 7.526 128.760 121.223 0.017 0.000 2.433 470 L HA 0.312 4.652 4.340 -0.001 0.000 0.275 470 L C -0.136 176.741 176.870 0.011 0.000 1.128 470 L CA 0.747 55.593 54.840 0.010 0.000 0.875 470 L CB 0.760 42.816 42.059 -0.005 0.000 1.171 470 L HN 0.446 nan 8.230 nan 0.000 0.463 471 V N 6.531 126.469 119.914 0.040 0.000 2.394 471 V HA 0.546 4.665 4.120 -0.001 0.000 0.282 471 V C -0.021 176.106 176.094 0.055 0.000 1.031 471 V CA -0.413 61.933 62.300 0.076 0.000 0.881 471 V CB 1.501 33.441 31.823 0.195 0.000 0.982 471 V HN 0.673 nan 8.190 nan 0.000 0.451 472 V N 2.156 122.096 119.914 0.042 0.000 2.960 472 V HA 1.092 5.212 4.120 -0.001 0.000 0.315 472 V C -0.198 175.942 176.094 0.076 0.000 1.087 472 V CA -0.737 61.589 62.300 0.043 0.000 0.982 472 V CB 1.825 33.664 31.823 0.026 0.000 1.039 472 V HN 1.199 nan 8.190 nan 0.000 0.437 473 A N 1.997 124.855 122.820 0.063 0.000 2.574 473 A HA 0.973 5.292 4.320 -0.001 0.000 0.297 473 A C -0.322 177.259 177.584 -0.006 0.000 1.062 473 A CA -0.008 52.041 52.037 0.021 0.000 0.686 473 A CB 1.852 20.807 19.000 -0.075 0.000 1.285 473 A HN 1.986 nan 8.150 nan 0.000 0.403 474 T N -1.387 113.155 114.554 -0.020 0.000 2.865 474 T HA 0.849 5.198 4.350 -0.001 0.000 0.294 474 T C 0.830 175.507 174.700 -0.038 0.000 1.119 474 T CA 0.427 62.545 62.100 0.029 0.000 1.007 474 T CB 1.029 69.951 68.868 0.091 0.000 1.225 474 T HN 2.681 nan 8.240 nan 0.000 0.515 475 G N -0.007 108.818 108.800 0.042 0.000 2.596 475 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.295 475 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.295 475 G C 1.119 175.965 174.900 -0.091 0.000 1.240 475 G CA 0.314 45.437 45.100 0.038 0.000 0.985 475 G HN 1.378 nan 8.290 nan 0.000 0.555 476 C N 1.687 120.939 119.300 -0.080 0.000 2.539 476 C HA 0.369 4.828 4.460 -0.001 0.000 0.268 476 C C 2.970 177.643 174.990 -0.527 0.000 1.395 476 C CA 1.024 59.919 59.018 -0.206 0.000 1.757 476 C CB -1.337 26.413 27.740 0.017 0.000 1.851 476 C HN 1.069 nan 8.230 nan 0.000 0.545 477 G N 1.089 109.516 108.800 -0.622 0.000 2.404 477 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.215 477 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.215 477 G C 1.892 176.260 174.900 -0.885 0.000 1.174 477 G CA 0.952 45.277 45.100 -1.292 0.000 0.780 477 G HN 0.552 nan 8.290 nan 0.000 0.537 478 A N 0.967 123.439 122.820 -0.580 0.000 1.908 478 A HA 0.102 4.422 4.320 -0.001 0.000 0.218 478 A C 2.706 179.913 177.584 -0.629 0.000 1.181 478 A CA 2.224 53.876 52.037 -0.643 0.000 0.627 478 A CB -1.177 17.218 19.000 -1.009 0.000 0.818 478 A HN 0.565 nan 8.150 nan 0.000 0.445 479 G N -0.418 107.937 108.800 -0.741 0.000 2.459 479 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.217 479 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.217 479 G C 1.807 176.314 174.900 -0.655 0.000 1.183 479 G CA 1.799 46.169 45.100 -1.216 0.000 0.776 479 G HN 0.862 nan 8.290 nan 0.000 0.552 480 A N 0.558 123.048 122.820 -0.550 0.000 1.865 480 A HA 0.017 4.337 4.320 -0.001 0.000 0.217 480 A C 2.494 179.999 177.584 -0.131 0.000 1.191 480 A CA 1.595 53.480 52.037 -0.253 0.000 0.623 480 A CB -0.508 18.272 19.000 -0.366 0.000 0.826 480 A HN 0.367 nan 8.150 nan 0.000 0.444 481 L N -1.396 119.615 121.223 -0.353 0.000 2.056 481 L HA -0.171 4.169 4.340 -0.001 0.000 0.207 481 L C 2.894 179.802 176.870 0.064 0.000 1.078 481 L CA 1.288 55.973 54.840 -0.258 0.000 0.749 481 L CB -0.498 41.291 42.059 -0.449 0.000 0.901 481 L HN 0.416 nan 8.230 nan 0.000 0.433 482 M N -0.586 118.985 119.600 -0.048 0.000 2.080 482 M HA -0.240 4.240 4.480 -0.001 0.000 0.260 482 M C 2.386 178.727 176.300 0.068 0.000 1.068 482 M CA 1.844 57.166 55.300 0.037 0.000 1.109 482 M CB -0.362 32.247 32.600 0.014 0.000 1.342 482 M HN 0.154 nan 8.290 nan 0.000 0.405 483 R N -1.133 119.382 120.500 0.025 0.000 2.235 483 R HA -0.064 4.276 4.340 -0.001 0.000 0.213 483 R C 1.039 177.224 176.300 -0.191 0.000 1.059 483 R CA 0.645 56.710 56.100 -0.058 0.000 0.997 483 R CB -0.109 30.146 30.300 -0.075 0.000 0.884 483 R HN 0.526 nan 8.270 nan 0.000 0.462 484 H N -1.289 117.866 119.070 0.142 0.000 2.542 484 H HA 0.186 4.742 4.556 -0.001 0.000 0.283 484 H C 0.956 176.378 175.328 0.157 0.000 1.059 484 H CA 0.665 56.832 56.048 0.198 0.000 1.162 484 H CB 1.341 31.296 29.762 0.321 0.000 1.539 484 H HN 0.426 nan 8.280 nan 0.000 0.543 485 G N 0.897 109.803 108.800 0.177 0.000 2.157 485 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.239 485 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.239 485 G C 0.585 175.482 174.900 -0.005 0.000 0.982 485 G CA 0.019 45.139 45.100 0.033 0.000 0.650 485 G HN 0.326 nan 8.290 nan 0.000 0.527 486 F N 0.184 120.147 119.950 0.020 0.000 2.748 486 F HA 0.410 4.937 4.527 -0.000 0.000 0.299 486 F C 2.470 178.275 175.800 0.008 0.000 1.154 486 F CA 1.125 59.128 58.000 0.005 0.000 1.446 486 F CB 0.076 39.063 39.000 -0.020 0.000 1.112 486 F HN 0.247 nan 8.300 nan 0.000 0.584 487 M N -0.829 118.876 119.600 0.174 0.000 2.475 487 M HA 0.109 4.589 4.480 -0.001 0.000 0.283 487 M C -0.445 175.919 176.300 0.106 0.000 1.165 487 M CA -0.015 55.369 55.300 0.139 0.000 0.976 487 M CB 0.254 32.950 32.600 0.159 0.000 1.428 487 M HN -0.226 nan 8.290 nan 0.000 0.495 488 D N 0.933 121.371 120.400 0.063 0.000 2.329 488 D HA 0.232 4.871 4.640 -0.001 0.000 0.232 488 D C -1.993 174.320 176.300 0.022 0.000 1.088 488 D CA -2.110 51.914 54.000 0.039 0.000 0.835 488 D CB 1.858 42.666 40.800 0.014 0.000 1.078 488 D HN -0.079 nan 8.370 nan 0.000 0.495 489 P HA -0.084 nan 4.420 nan 0.000 0.221 489 P C 0.973 178.277 177.300 0.006 0.000 1.145 489 P CA 0.832 63.947 63.100 0.025 0.000 0.795 489 P CB 0.163 31.888 31.700 0.041 0.000 0.775 490 A N -0.321 122.500 122.820 0.002 0.000 2.076 490 A HA -0.195 4.125 4.320 -0.001 0.000 0.220 490 A C 1.795 179.363 177.584 -0.028 0.000 1.160 490 A CA 1.603 53.634 52.037 -0.009 0.000 0.653 490 A CB -1.544 17.451 19.000 -0.008 0.000 0.801 490 A HN 0.304 nan 8.150 nan 0.000 0.455 491 N N -0.835 117.839 118.700 -0.044 0.000 2.336 491 N HA 0.127 4.867 4.740 -0.001 0.000 0.189 491 N C 1.099 176.564 175.510 -0.074 0.000 1.113 491 N CA 0.200 53.202 53.050 -0.081 0.000 0.858 491 N CB 0.351 38.751 38.487 -0.145 0.000 0.970 491 N HN 0.215 nan 8.380 nan 0.000 0.471 492 V N 1.412 121.303 119.914 -0.040 0.000 2.287 492 V HA -0.274 3.845 4.120 -0.001 0.000 0.248 492 V C 1.641 177.721 176.094 -0.023 0.000 1.053 492 V CA 1.804 64.089 62.300 -0.024 0.000 1.027 492 V CB -0.322 31.497 31.823 -0.007 0.000 0.646 492 V HN 0.320 nan 8.190 nan 0.000 0.447 493 D N -0.544 119.843 120.400 -0.021 0.000 2.123 493 D HA -0.202 4.438 4.640 -0.001 0.000 0.196 493 D C 2.192 178.479 176.300 -0.023 0.000 0.992 493 D CA 1.615 55.605 54.000 -0.017 0.000 0.833 493 D CB -0.177 40.614 40.800 -0.015 0.000 0.954 493 D HN 0.621 nan 8.370 nan 0.000 0.455 494 E N -0.016 120.161 120.200 -0.039 0.000 2.047 494 E HA -0.104 4.246 4.350 -0.001 0.000 0.191 494 E C 2.139 178.712 176.600 -0.047 0.000 0.987 494 E CA 0.587 56.959 56.400 -0.047 0.000 0.799 494 E CB 0.042 29.699 29.700 -0.071 0.000 0.752 494 E HN 0.230 nan 8.360 nan 0.000 0.449 495 L N 0.152 121.338 121.223 -0.062 0.000 2.298 495 L HA 0.107 4.446 4.340 -0.001 0.000 0.209 495 L C 0.823 177.699 176.870 0.010 0.000 1.084 495 L CA -0.193 54.618 54.840 -0.049 0.000 0.816 495 L CB 0.500 42.490 42.059 -0.115 0.000 0.967 495 L HN 0.163 nan 8.230 nan 0.000 0.460 496 C N 0.825 120.130 119.300 0.007 0.000 2.350 496 C HA 0.579 5.038 4.460 -0.001 0.000 0.348 496 C C 1.203 176.206 174.990 0.021 0.000 1.260 496 C CA -1.452 57.581 59.018 0.025 0.000 1.966 496 C CB 0.435 28.187 27.740 0.019 0.000 2.380 496 C HN 0.441 nan 8.230 nan 0.000 0.535 497 G N 2.120 110.938 108.800 0.030 0.000 2.630 497 G HA2 0.106 4.066 3.960 -0.001 0.000 0.236 497 G HA3 0.106 4.066 3.960 -0.001 0.000 0.236 497 G C 0.500 175.412 174.900 0.019 0.000 1.248 497 G CA 0.012 45.127 45.100 0.025 0.000 0.844 497 G HN 0.822 nan 8.290 nan 0.000 0.588 498 D N 1.131 121.540 120.400 0.015 0.000 2.123 498 D HA -0.119 4.520 4.640 -0.001 0.000 0.196 498 D C 2.578 178.885 176.300 0.012 0.000 0.992 498 D CA 1.705 55.712 54.000 0.011 0.000 0.833 498 D CB -0.591 40.214 40.800 0.009 0.000 0.954 498 D HN 0.474 nan 8.370 nan 0.000 0.455 499 G N 0.895 109.704 108.800 0.015 0.000 2.433 499 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.216 499 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.216 499 G C 1.610 176.519 174.900 0.016 0.000 1.186 499 G CA 0.813 45.923 45.100 0.016 0.000 0.779 499 G HN 0.272 nan 8.290 nan 0.000 0.543 500 L N 0.879 122.113 121.223 0.019 0.000 2.017 500 L HA 0.066 4.405 4.340 -0.001 0.000 0.208 500 L C 2.671 179.548 176.870 0.012 0.000 1.073 500 L CA 2.637 57.487 54.840 0.017 0.000 0.745 500 L CB -0.630 41.444 42.059 0.025 0.000 0.894 500 L HN 0.288 nan 8.230 nan 0.000 0.432 501 K N -0.498 119.910 120.400 0.012 0.000 2.044 501 K HA -0.232 4.087 4.320 -0.001 0.000 0.210 501 K C 2.022 178.626 176.600 0.008 0.000 1.049 501 K CA 1.652 57.944 56.287 0.009 0.000 0.927 501 K CB -0.381 32.124 32.500 0.007 0.000 0.713 501 K HN 0.471 nan 8.250 nan 0.000 0.443 502 A N 0.538 123.364 122.820 0.009 0.000 1.892 502 A HA -0.165 4.155 4.320 -0.001 0.000 0.218 502 A C 2.269 179.858 177.584 0.009 0.000 1.188 502 A CA 2.069 54.111 52.037 0.009 0.000 0.631 502 A CB -0.762 18.244 19.000 0.009 0.000 0.822 502 A HN 0.209 nan 8.150 nan 0.000 0.447 503 V N -0.066 119.853 119.914 0.009 0.000 2.323 503 V HA -0.204 3.915 4.120 -0.001 0.000 0.244 503 V C 2.553 178.651 176.094 0.005 0.000 1.041 503 V CA 1.762 64.067 62.300 0.008 0.000 1.025 503 V CB -0.771 31.057 31.823 0.007 0.000 0.656 503 V HN 0.564 nan 8.190 nan 0.000 0.451 504 L N -0.139 121.085 121.223 0.001 0.000 2.079 504 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 504 L C 2.604 179.478 176.870 0.008 0.000 1.081 504 L CA 1.984 56.822 54.840 -0.004 0.000 0.752 504 L CB -1.051 41.002 42.059 -0.009 0.000 0.896 504 L HN 0.379 nan 8.230 nan 0.000 0.433 505 T N -0.203 114.357 114.554 0.010 0.000 2.737 505 T HA -0.115 4.235 4.350 -0.001 0.000 0.265 505 T C 2.067 176.777 174.700 0.017 0.000 1.038 505 T CA 1.212 63.320 62.100 0.014 0.000 1.144 505 T CB -0.243 68.632 68.868 0.011 0.000 0.866 505 T HN 0.434 nan 8.240 nan 0.000 0.434 506 A N 1.362 124.191 122.820 0.015 0.000 1.883 506 A HA -0.085 4.234 4.320 -0.001 0.000 0.217 506 A C 2.292 179.889 177.584 0.021 0.000 1.186 506 A CA 1.500 53.547 52.037 0.017 0.000 0.624 506 A CB -0.893 18.116 19.000 0.014 0.000 0.822 506 A HN 0.530 nan 8.150 nan 0.000 0.444 507 I N -0.446 120.138 120.570 0.023 0.000 2.179 507 I HA -0.181 3.989 4.170 -0.001 0.000 0.242 507 I C 2.738 178.881 176.117 0.044 0.000 1.088 507 I CA 1.132 62.451 61.300 0.033 0.000 1.357 507 I CB -0.754 37.265 38.000 0.031 0.000 1.051 507 I HN 0.392 nan 8.210 nan 0.000 0.409 508 G N 0.388 109.214 108.800 0.043 0.000 2.440 508 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.218 508 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.218 508 G C 1.539 176.464 174.900 0.043 0.000 1.154 508 G CA 0.649 45.782 45.100 0.054 0.000 0.767 508 G HN 0.418 nan 8.290 nan 0.000 0.552 509 E N 0.442 120.661 120.200 0.032 0.000 2.150 509 E HA 0.003 4.352 4.350 -0.001 0.000 0.193 509 E C 2.817 179.432 176.600 0.025 0.000 0.985 509 E CA 0.643 57.058 56.400 0.026 0.000 0.814 509 E CB -0.131 29.581 29.700 0.020 0.000 0.752 509 E HN 0.429 nan 8.360 nan 0.000 0.466 510 A N 1.247 124.084 122.820 0.027 0.000 2.119 510 A HA -0.078 4.241 4.320 -0.001 0.000 0.217 510 A C 1.568 179.170 177.584 0.029 0.000 1.153 510 A CA 0.747 52.800 52.037 0.026 0.000 0.692 510 A CB -0.075 18.940 19.000 0.026 0.000 0.799 510 A HN 0.132 nan 8.150 nan 0.000 0.458 511 N N -0.662 118.060 118.700 0.037 0.000 2.268 511 N HA 0.167 4.907 4.740 -0.001 0.000 0.204 511 N C 0.885 176.414 175.510 0.032 0.000 1.124 511 N CA 0.713 53.787 53.050 0.039 0.000 0.838 511 N CB 0.522 39.044 38.487 0.058 0.000 0.994 511 N HN 0.559 nan 8.380 nan 0.000 0.489 512 G N 1.182 109.998 108.800 0.027 0.000 2.143 512 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.248 512 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.248 512 G C 0.768 175.682 174.900 0.024 0.000 0.991 512 G CA -0.019 45.094 45.100 0.022 0.000 0.689 512 G HN 0.344 nan 8.290 nan 0.000 0.522 513 L N 0.080 121.321 121.223 0.030 0.000 2.492 513 L HA 0.322 4.662 4.340 -0.001 0.000 0.223 513 L C 2.376 179.262 176.870 0.026 0.000 1.132 513 L CA 0.737 55.596 54.840 0.033 0.000 0.850 513 L CB -0.278 41.809 42.059 0.047 0.000 0.966 513 L HN 0.950 nan 8.230 nan 0.000 0.454 514 G N 0.433 109.246 108.800 0.023 0.000 2.187 514 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.261 514 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.261 514 G C 0.413 175.324 174.900 0.019 0.000 1.000 514 G CA 0.238 45.349 45.100 0.018 0.000 0.718 514 G HN 0.681 nan 8.290 nan 0.000 0.519 515 G N -1.431 107.383 108.800 0.024 0.000 2.466 515 G HA2 0.746 4.706 3.960 -0.001 0.000 0.291 515 G HA3 0.746 4.706 3.960 -0.001 0.000 0.291 515 G C -3.197 171.721 174.900 0.030 0.000 1.460 515 G CA -0.008 45.106 45.100 0.024 0.000 0.791 515 G HN 0.325 nan 8.290 nan 0.000 0.505 516 P HA 0.375 nan 4.420 nan 0.000 0.274 516 P C 0.424 177.748 177.300 0.041 0.000 1.256 516 P CA -0.441 62.675 63.100 0.027 0.000 0.795 516 P CB 1.109 32.818 31.700 0.015 0.000 1.038 517 L N 1.236 122.479 121.223 0.033 0.000 2.479 517 L HA 0.141 4.481 4.340 -0.001 0.000 0.270 517 L C -1.530 175.343 176.870 0.006 0.000 1.236 517 L CA -1.502 53.356 54.840 0.029 0.000 0.823 517 L CB -0.662 41.361 42.059 -0.061 0.000 1.098 517 L HN 0.318 nan 8.230 nan 0.000 0.500 518 P HA 0.100 nan 4.420 nan 0.000 0.272 518 P C -2.322 174.971 177.300 -0.012 0.000 1.240 518 P CA -1.421 61.691 63.100 0.018 0.000 0.791 518 P CB -0.082 31.661 31.700 0.072 0.000 0.978 519 P HA -0.085 nan 4.420 nan 0.000 0.218 519 P C 0.098 177.443 177.300 0.074 0.000 1.148 519 P CA 1.375 64.506 63.100 0.052 0.000 0.822 519 P CB 0.135 31.878 31.700 0.071 0.000 0.784 520 V N -0.124 119.837 119.914 0.078 0.000 2.656 520 V HA 0.255 4.375 4.120 -0.001 0.000 0.307 520 V C -0.209 175.873 176.094 -0.019 0.000 1.051 520 V CA -0.830 61.506 62.300 0.060 0.000 0.893 520 V CB 2.307 34.196 31.823 0.110 0.000 0.999 520 V HN -0.169 nan 8.190 nan 0.000 0.426 521 L N 4.264 125.441 121.223 -0.077 0.000 2.257 521 L HA 0.446 4.786 4.340 -0.001 0.000 0.290 521 L C -0.161 176.773 176.870 0.107 0.000 1.044 521 L CA -0.610 54.130 54.840 -0.166 0.000 0.810 521 L CB 0.609 42.474 42.059 -0.323 0.000 1.193 521 L HN 0.642 nan 8.230 nan 0.000 0.425 522 H N 5.326 124.491 119.070 0.158 0.000 2.934 522 H HA 0.211 4.767 4.556 -0.001 0.000 0.273 522 H C 0.336 175.777 175.328 0.188 0.000 1.121 522 H CA -0.101 56.042 56.048 0.159 0.000 1.451 522 H CB 1.076 30.935 29.762 0.162 0.000 1.469 522 H HN 0.603 nan 8.280 nan 0.000 0.476 523 M N 3.420 123.274 119.600 0.422 0.000 2.428 523 M HA 0.197 4.677 4.480 -0.001 0.000 0.239 523 M C 1.022 177.428 176.300 0.177 0.000 1.121 523 M CA 0.557 55.999 55.300 0.237 0.000 1.019 523 M CB 0.656 33.351 32.600 0.158 0.000 1.485 523 M HN 0.811 nan 8.290 nan 0.000 0.484 524 G N 0.581 109.560 108.800 0.298 0.000 2.341 524 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.196 524 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.196 524 G C -0.358 174.682 174.900 0.233 0.000 1.231 524 G CA -0.284 44.887 45.100 0.118 0.000 1.155 524 G HN 0.415 nan 8.290 nan 0.000 0.529 525 S N -0.996 114.782 115.700 0.130 0.000 2.640 525 S HA 0.395 4.865 4.470 -0.001 0.000 0.262 525 S C 1.626 176.303 174.600 0.129 0.000 1.232 525 S CA 0.632 58.912 58.200 0.132 0.000 0.988 525 S CB 0.892 64.160 63.200 0.114 0.000 1.034 525 S HN 1.407 nan 8.310 nan 0.000 0.569 526 C N 0.314 119.712 119.300 0.164 0.000 2.429 526 C HA -0.046 4.414 4.460 -0.001 0.000 0.277 526 C C 2.893 177.929 174.990 0.077 0.000 1.262 526 C CA 0.735 59.856 59.018 0.173 0.000 1.733 526 C CB -1.740 26.180 27.740 0.299 0.000 2.010 526 C HN 0.801 nan 8.230 nan 0.000 0.483 527 V N 0.031 119.947 119.914 0.004 0.000 2.490 527 V HA -0.153 3.967 4.120 -0.001 0.000 0.250 527 V C 1.490 177.545 176.094 -0.065 0.000 1.061 527 V CA 2.419 64.629 62.300 -0.149 0.000 1.064 527 V CB -0.931 30.741 31.823 -0.252 0.000 0.670 527 V HN 0.361 nan 8.190 nan 0.000 0.461 528 D N 0.956 121.353 120.400 -0.004 0.000 2.392 528 D HA -0.066 4.573 4.640 -0.001 0.000 0.228 528 D C 1.819 178.143 176.300 0.040 0.000 1.003 528 D CA 0.533 54.532 54.000 -0.000 0.000 0.917 528 D CB -0.601 40.217 40.800 0.030 0.000 0.890 528 D HN 0.507 nan 8.370 nan 0.000 0.532 529 N N 0.448 119.209 118.700 0.101 0.000 2.258 529 N HA -0.160 4.580 4.740 -0.001 0.000 0.187 529 N C 1.778 177.411 175.510 0.205 0.000 1.012 529 N CA 1.089 54.262 53.050 0.204 0.000 0.870 529 N CB -0.132 38.547 38.487 0.321 0.000 0.977 529 N HN 0.273 nan 8.380 nan 0.000 0.434 530 S N 0.908 116.620 115.700 0.021 0.000 2.399 530 S HA -0.060 4.409 4.470 -0.001 0.000 0.231 530 S C 1.848 176.263 174.600 -0.308 0.000 1.022 530 S CA 0.497 58.562 58.200 -0.225 0.000 0.983 530 S CB -0.155 62.782 63.200 -0.438 0.000 0.803 530 S HN 0.289 nan 8.310 nan 0.000 0.480 531 R N 1.466 121.853 120.500 -0.189 0.000 2.081 531 R HA 0.057 4.396 4.340 -0.001 0.000 0.235 531 R C 2.815 179.100 176.300 -0.026 0.000 1.131 531 R CA 1.313 57.339 56.100 -0.123 0.000 0.960 531 R CB -0.890 29.382 30.300 -0.045 0.000 0.856 531 R HN 0.578 nan 8.270 nan 0.000 0.436 532 A N 0.902 123.741 122.820 0.032 0.000 1.908 532 A HA -0.129 4.190 4.320 -0.001 0.000 0.218 532 A C 2.399 180.030 177.584 0.078 0.000 1.181 532 A CA 1.502 53.579 52.037 0.066 0.000 0.627 532 A CB -0.582 18.473 19.000 0.091 0.000 0.818 532 A HN 0.117 nan 8.150 nan 0.000 0.445 533 V N -0.097 119.874 119.914 0.097 0.000 2.287 533 V HA -0.278 3.841 4.120 -0.001 0.000 0.248 533 V C 3.069 179.227 176.094 0.105 0.000 1.053 533 V CA 2.004 64.368 62.300 0.107 0.000 1.027 533 V CB -1.366 30.503 31.823 0.078 0.000 0.646 533 V HN 0.631 nan 8.190 nan 0.000 0.447 534 A N -0.142 122.732 122.820 0.091 0.000 1.908 534 A HA -0.236 4.083 4.320 -0.001 0.000 0.218 534 A C 2.187 179.814 177.584 0.072 0.000 1.181 534 A CA 2.300 54.408 52.037 0.118 0.000 0.627 534 A CB -0.634 18.406 19.000 0.068 0.000 0.818 534 A HN 0.453 nan 8.150 nan 0.000 0.445 535 L N -0.111 121.142 121.223 0.050 0.000 2.017 535 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 535 L C 2.418 179.313 176.870 0.040 0.000 1.073 535 L CA 2.054 56.920 54.840 0.043 0.000 0.745 535 L CB -0.612 41.471 42.059 0.040 0.000 0.894 535 L HN 0.157 nan 8.230 nan 0.000 0.432 536 V N 0.019 119.960 119.914 0.044 0.000 2.427 536 V HA -0.235 3.885 4.120 -0.001 0.000 0.248 536 V C 2.779 178.893 176.094 0.034 0.000 1.051 536 V CA 1.484 63.806 62.300 0.036 0.000 1.048 536 V CB -1.316 30.532 31.823 0.041 0.000 0.666 536 V HN 0.597 nan 8.190 nan 0.000 0.456 537 A N 0.021 122.867 122.820 0.042 0.000 1.933 537 A HA -0.078 4.242 4.320 -0.001 0.000 0.218 537 A C 2.417 180.015 177.584 0.023 0.000 1.175 537 A CA 1.949 54.004 52.037 0.031 0.000 0.628 537 A CB -0.678 18.343 19.000 0.036 0.000 0.814 537 A HN 0.551 nan 8.150 nan 0.000 0.444 538 A N -0.224 122.615 122.820 0.031 0.000 1.902 538 A HA -0.019 4.301 4.320 -0.001 0.000 0.217 538 A C 2.167 179.762 177.584 0.019 0.000 1.181 538 A CA 1.435 53.487 52.037 0.024 0.000 0.623 538 A CB -0.590 18.428 19.000 0.031 0.000 0.818 538 A HN 0.462 nan 8.150 nan 0.000 0.443 539 L N -0.705 120.530 121.223 0.020 0.000 2.017 539 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 539 L C 3.145 180.022 176.870 0.013 0.000 1.073 539 L CA 1.162 56.012 54.840 0.016 0.000 0.745 539 L CB -0.598 41.471 42.059 0.016 0.000 0.894 539 L HN 0.444 nan 8.230 nan 0.000 0.432 540 A N 0.240 123.067 122.820 0.013 0.000 1.892 540 A HA -0.301 4.019 4.320 -0.001 0.000 0.218 540 A C 2.087 179.675 177.584 0.006 0.000 1.188 540 A CA 2.417 54.460 52.037 0.009 0.000 0.631 540 A CB -0.813 18.192 19.000 0.009 0.000 0.822 540 A HN 0.481 nan 8.150 nan 0.000 0.447 541 N N -0.576 118.126 118.700 0.004 0.000 2.120 541 N HA -0.179 4.561 4.740 -0.001 0.000 0.188 541 N C 1.824 177.336 175.510 0.002 0.000 1.024 541 N CA 1.652 54.702 53.050 0.000 0.000 0.852 541 N CB -0.322 38.164 38.487 -0.003 0.000 1.003 541 N HN 0.378 nan 8.380 nan 0.000 0.424 542 R N 0.324 120.827 120.500 0.006 0.000 2.096 542 R HA 0.102 4.441 4.340 -0.001 0.000 0.235 542 R C 1.766 178.070 176.300 0.007 0.000 1.127 542 R CA 1.222 57.326 56.100 0.007 0.000 0.968 542 R CB -0.519 29.787 30.300 0.010 0.000 0.861 542 R HN 0.339 nan 8.270 nan 0.000 0.440 543 L N -1.059 120.169 121.223 0.007 0.000 2.509 543 L HA 0.271 4.611 4.340 -0.001 0.000 0.222 543 L C 1.106 177.980 176.870 0.006 0.000 1.123 543 L CA 0.478 55.323 54.840 0.008 0.000 0.856 543 L CB -0.002 42.062 42.059 0.009 0.000 0.985 543 L HN 0.550 nan 8.230 nan 0.000 0.456 544 G N 1.120 109.923 108.800 0.004 0.000 2.176 544 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.252 544 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.252 544 G C 0.124 175.026 174.900 0.003 0.000 1.024 544 G CA 0.402 45.503 45.100 0.002 0.000 0.755 544 G HN 0.317 nan 8.290 nan 0.000 0.507 545 V N -3.849 116.067 119.914 0.004 0.000 3.074 545 V HA 0.889 5.009 4.120 -0.001 0.000 0.314 545 V C 0.118 176.215 176.094 0.005 0.000 1.117 545 V CA -1.077 61.226 62.300 0.005 0.000 1.014 545 V CB 2.151 33.978 31.823 0.007 0.000 1.057 545 V HN 0.119 nan 8.190 nan 0.000 0.438 546 D N 0.161 120.565 120.400 0.007 0.000 2.358 546 D HA 0.331 4.971 4.640 -0.001 0.000 0.244 546 D C 0.965 177.270 176.300 0.009 0.000 1.163 546 D CA -0.236 53.769 54.000 0.008 0.000 0.945 546 D CB 1.499 42.306 40.800 0.011 0.000 1.152 546 D HN 0.503 nan 8.370 nan 0.000 0.451 547 L N 1.271 122.501 121.223 0.010 0.000 2.191 547 L HA -0.133 4.207 4.340 -0.001 0.000 0.212 547 L C 1.738 178.611 176.870 0.005 0.000 1.103 547 L CA 1.339 56.185 54.840 0.010 0.000 0.769 547 L CB -0.764 41.305 42.059 0.017 0.000 0.908 547 L HN 0.523 nan 8.230 nan 0.000 0.438 548 D N -0.972 119.434 120.400 0.010 0.000 2.363 548 D HA -0.139 4.500 4.640 -0.001 0.000 0.226 548 D C 1.728 178.036 176.300 0.014 0.000 1.020 548 D CA 0.541 54.549 54.000 0.014 0.000 0.892 548 D CB -0.151 40.664 40.800 0.025 0.000 0.900 548 D HN 0.318 nan 8.370 nan 0.000 0.531 549 R N -0.353 120.152 120.500 0.008 0.000 2.334 549 R HA 0.308 4.648 4.340 -0.001 0.000 0.212 549 R C 0.420 176.720 176.300 0.000 0.000 0.897 549 R CA -0.262 55.841 56.100 0.005 0.000 1.056 549 R CB 0.718 31.023 30.300 0.007 0.000 1.046 549 R HN 0.162 nan 8.270 nan 0.000 0.513 550 L N 3.264 124.486 121.223 -0.002 0.000 2.350 550 L HA 0.265 4.604 4.340 -0.001 0.000 0.275 550 L C -1.844 175.016 176.870 -0.016 0.000 1.099 550 L CA -2.026 52.811 54.840 -0.005 0.000 0.808 550 L CB 0.845 42.902 42.059 -0.003 0.000 1.149 550 L HN -0.242 nan 8.230 nan 0.000 0.442 551 P HA 0.107 nan 4.420 nan 0.000 0.230 551 P C -0.869 176.410 177.300 -0.034 0.000 1.791 551 P CA 0.107 63.192 63.100 -0.025 0.000 1.020 551 P CB 0.079 31.772 31.700 -0.011 0.000 1.977 552 V N 2.721 122.606 119.914 -0.047 0.000 2.638 552 V HA 0.448 4.568 4.120 -0.001 0.000 0.306 552 V C 0.420 176.457 176.094 -0.095 0.000 1.052 552 V CA -0.845 61.419 62.300 -0.059 0.000 0.885 552 V CB 2.489 34.290 31.823 -0.037 0.000 0.999 552 V HN 0.251 nan 8.190 nan 0.000 0.424 553 V N 1.547 121.386 119.914 -0.125 0.000 3.141 553 V HA 1.099 5.218 4.120 -0.001 0.000 0.312 553 V C -0.239 175.741 176.094 -0.190 0.000 1.157 553 V CA -0.775 61.424 62.300 -0.170 0.000 1.041 553 V CB 1.981 33.699 31.823 -0.176 0.000 1.071 553 V HN 1.231 nan 8.190 nan 0.000 0.441 554 A N 0.878 123.575 122.820 -0.204 0.000 2.423 554 A HA 0.931 5.250 4.320 -0.001 0.000 0.304 554 A C -0.387 177.097 177.584 -0.167 0.000 1.104 554 A CA -0.216 51.698 52.037 -0.205 0.000 0.757 554 A CB 1.939 20.826 19.000 -0.189 0.000 1.313 554 A HN 1.801 nan 8.150 nan 0.000 0.423 555 S N 0.362 115.970 115.700 -0.152 0.000 2.775 555 S HA 0.554 5.024 4.470 -0.001 0.000 0.277 555 S C -0.495 174.174 174.600 0.114 0.000 1.156 555 S CA 0.224 58.442 58.200 0.029 0.000 1.081 555 S CB 0.701 63.951 63.200 0.082 0.000 1.054 555 S HN 1.876 nan 8.310 nan 0.000 0.482 556 A N 4.163 126.983 122.820 -0.001 0.000 3.015 556 A HA 0.659 4.979 4.320 -0.001 0.000 0.293 556 A C 1.347 178.843 177.584 -0.147 0.000 1.572 556 A CA 0.049 52.089 52.037 0.005 0.000 1.274 556 A CB -0.639 18.342 19.000 -0.031 0.000 1.156 556 A HN 1.204 nan 8.150 nan 0.000 0.562 557 A N 1.213 123.917 122.820 -0.194 0.000 2.066 557 A HA 0.033 4.353 4.320 -0.001 0.000 0.218 557 A C 1.004 178.297 177.584 -0.485 0.000 1.157 557 A CA 1.205 53.010 52.037 -0.387 0.000 0.670 557 A CB -0.016 18.673 19.000 -0.518 0.000 0.804 557 A HN 0.677 nan 8.150 nan 0.000 0.453 558 E N -0.565 119.348 120.200 -0.477 0.000 3.521 558 E HA 0.394 4.744 4.350 -0.001 0.000 0.183 558 E C -0.231 176.318 176.600 -0.084 0.000 0.981 558 E CA -0.224 56.020 56.400 -0.261 0.000 1.349 558 E CB 0.698 30.248 29.700 -0.250 0.000 1.102 558 E HN 0.465 nan 8.360 nan 0.000 0.449 559 A N 1.354 124.124 122.820 -0.083 0.000 2.555 559 A HA 0.153 4.472 4.320 -0.001 0.000 0.233 559 A C 0.755 178.327 177.584 -0.020 0.000 1.060 559 A CA 0.465 52.490 52.037 -0.020 0.000 0.759 559 A CB 0.480 19.452 19.000 -0.046 0.000 0.995 559 A HN 0.415 nan 8.150 nan 0.000 0.506 560 M N 0.790 120.405 119.600 0.024 0.000 2.146 560 M HA 0.110 4.590 4.480 -0.001 0.000 0.194 560 M C 0.411 176.727 176.300 0.026 0.000 1.652 560 M CA 0.261 55.566 55.300 0.009 0.000 0.986 560 M CB -0.373 32.241 32.600 0.023 0.000 1.496 560 M HN 0.912 nan 8.290 nan 0.000 0.576 561 H N 2.381 121.448 119.070 -0.004 0.000 2.615 561 H HA 0.117 4.673 4.556 -0.001 0.000 0.363 561 H C 0.385 175.700 175.328 -0.022 0.000 1.148 561 H CA 1.091 57.132 56.048 -0.012 0.000 1.401 561 H CB 1.165 30.927 29.762 -0.000 0.000 1.461 561 H HN 0.377 nan 8.280 nan 0.000 0.588 562 E N 2.648 122.756 120.200 -0.153 0.000 2.130 562 E HA -0.220 4.130 4.350 -0.001 0.000 0.196 562 E C 1.841 178.536 176.600 0.158 0.000 0.998 562 E CA 1.365 57.762 56.400 -0.006 0.000 0.806 562 E CB 0.184 29.828 29.700 -0.093 0.000 0.738 562 E HN 0.576 nan 8.360 nan 0.000 0.459 563 K N 0.251 120.879 120.400 0.381 0.000 2.103 563 K HA -0.153 4.167 4.320 -0.001 0.000 0.207 563 K C 2.160 178.858 176.600 0.163 0.000 1.048 563 K CA 1.140 57.499 56.287 0.121 0.000 0.930 563 K CB -0.133 32.238 32.500 -0.214 0.000 0.716 563 K HN 0.086 nan 8.250 nan 0.000 0.444 564 A N 0.893 123.802 122.820 0.148 0.000 1.930 564 A HA -0.094 4.226 4.320 -0.001 0.000 0.217 564 A C 2.335 179.940 177.584 0.035 0.000 1.175 564 A CA 1.173 53.261 52.037 0.085 0.000 0.627 564 A CB -0.474 18.578 19.000 0.087 0.000 0.815 564 A HN 0.064 nan 8.150 nan 0.000 0.443 565 V N -0.079 119.860 119.914 0.043 0.000 2.343 565 V HA -0.246 3.874 4.120 -0.001 0.000 0.247 565 V C 3.052 179.183 176.094 0.062 0.000 1.051 565 V CA 1.889 64.205 62.300 0.027 0.000 1.036 565 V CB -1.248 30.574 31.823 -0.002 0.000 0.654 565 V HN 0.604 nan 8.190 nan 0.000 0.451 566 A N -0.001 122.870 122.820 0.086 0.000 1.902 566 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 566 A C 2.185 179.754 177.584 -0.025 0.000 1.181 566 A CA 2.023 54.140 52.037 0.133 0.000 0.623 566 A CB -0.556 18.584 19.000 0.234 0.000 0.818 566 A HN 0.507 nan 8.150 nan 0.000 0.443 567 I N -0.333 120.121 120.570 -0.193 0.000 2.179 567 I HA -0.196 3.973 4.170 -0.001 0.000 0.242 567 I C 2.732 178.313 176.117 -0.893 0.000 1.088 567 I CA 1.131 61.901 61.300 -0.884 0.000 1.357 567 I CB -0.671 37.046 38.000 -0.471 0.000 1.051 567 I HN 0.393 nan 8.210 nan 0.000 0.409 568 G N 0.159 108.758 108.800 -0.335 0.000 2.440 568 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.218 568 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.218 568 G C 1.660 176.445 174.900 -0.191 0.000 1.154 568 G CA 1.590 46.601 45.100 -0.149 0.000 0.767 568 G HN 0.307 nan 8.290 nan 0.000 0.552 569 T N 0.715 115.302 114.554 0.055 0.000 2.812 569 T HA -0.107 4.242 4.350 -0.001 0.000 0.264 569 T C 2.045 176.772 174.700 0.045 0.000 1.042 569 T CA 1.315 63.492 62.100 0.128 0.000 1.140 569 T CB -0.327 68.688 68.868 0.245 0.000 0.870 569 T HN 0.790 nan 8.240 nan 0.000 0.445 570 W N 1.799 123.111 121.300 0.020 0.000 2.467 570 W HA 0.236 4.896 4.660 -0.001 0.000 0.275 570 W C 2.165 178.648 176.519 -0.058 0.000 1.239 570 W CA 0.356 57.696 57.345 -0.009 0.000 1.266 570 W CB -0.749 28.723 29.460 0.021 0.000 1.112 570 W HN 0.215 nan 8.180 nan 0.000 0.576 571 A N 1.960 124.738 122.820 -0.069 0.000 1.908 571 A HA -0.141 4.179 4.320 -0.001 0.000 0.218 571 A C 2.243 179.749 177.584 -0.130 0.000 1.181 571 A CA 2.608 54.588 52.037 -0.094 0.000 0.627 571 A CB -1.074 17.707 19.000 -0.365 0.000 0.818 571 A HN 0.163 nan 8.150 nan 0.000 0.445 572 V N -0.348 119.391 119.914 -0.292 0.000 2.343 572 V HA -0.212 3.908 4.120 -0.001 0.000 0.247 572 V C 2.718 178.746 176.094 -0.110 0.000 1.051 572 V CA 2.439 64.551 62.300 -0.313 0.000 1.036 572 V CB -1.164 30.325 31.823 -0.556 0.000 0.654 572 V HN 0.617 nan 8.190 nan 0.000 0.451 573 T N 1.203 115.748 114.554 -0.015 0.000 2.867 573 T HA -0.073 4.277 4.350 -0.001 0.000 0.268 573 T C 1.717 176.448 174.700 0.052 0.000 1.057 573 T CA 1.806 63.930 62.100 0.040 0.000 1.136 573 T CB -0.295 68.632 68.868 0.098 0.000 0.874 573 T HN 0.700 nan 8.240 nan 0.000 0.466 574 I N -1.369 119.253 120.570 0.088 0.000 3.428 574 I HA 0.406 4.576 4.170 -0.001 0.000 0.286 574 I C 1.420 177.559 176.117 0.036 0.000 1.287 574 I CA 0.498 61.841 61.300 0.072 0.000 1.396 574 I CB -0.239 37.830 38.000 0.114 0.000 1.062 574 I HN 0.309 nan 8.210 nan 0.000 0.471 575 G N 1.648 110.452 108.800 0.007 0.000 2.151 575 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.140 575 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.140 575 G C -0.209 174.660 174.900 -0.051 0.000 1.020 575 G CA -0.384 44.710 45.100 -0.010 0.000 0.688 575 G HN 0.277 nan 8.290 nan 0.000 0.500 576 L N 0.810 121.970 121.223 -0.106 0.000 2.307 576 L HA 0.458 4.798 4.340 -0.001 0.000 0.282 576 L C -2.144 174.505 176.870 -0.368 0.000 1.051 576 L CA -2.288 52.444 54.840 -0.181 0.000 0.804 576 L CB 1.548 43.516 42.059 -0.151 0.000 1.197 576 L HN -0.150 nan 8.230 nan 0.000 0.431 577 P HA 0.072 nan 4.420 nan 0.000 0.266 577 P C -0.874 176.123 177.300 -0.505 0.000 1.215 577 P CA 0.112 62.693 63.100 -0.866 0.000 0.763 577 P CB 0.534 31.803 31.700 -0.718 0.000 0.806 578 T N 3.173 117.438 114.554 -0.482 0.000 2.892 578 T HA 0.167 4.517 4.350 -0.001 0.000 0.311 578 T C -0.542 174.113 174.700 -0.075 0.000 1.033 578 T CA -0.433 61.485 62.100 -0.303 0.000 0.991 578 T CB 0.032 68.613 68.868 -0.479 0.000 0.981 578 T HN 0.436 nan 8.240 nan 0.000 0.457 579 H N 4.086 123.095 119.070 -0.101 0.000 2.683 579 H HA 0.536 5.092 4.556 -0.000 0.000 0.339 579 H C -0.924 174.431 175.328 0.044 0.000 1.081 579 H CA -0.223 55.819 56.048 -0.010 0.000 1.432 579 H CB 0.748 30.485 29.762 -0.041 0.000 1.462 579 H HN 0.540 nan 8.280 nan 0.000 0.557 580 I N 3.873 124.137 120.570 -0.509 0.000 2.466 580 I HA 0.267 4.437 4.170 -0.001 0.000 0.289 580 I C 0.599 176.295 176.117 -0.702 0.000 1.026 580 I CA -0.484 60.497 61.300 -0.532 0.000 1.078 580 I CB 1.525 39.408 38.000 -0.195 0.000 1.249 580 I HN 0.787 nan 8.210 nan 0.000 0.429 581 G N 6.564 115.006 108.800 -0.597 0.000 3.233 581 G HA2 0.350 4.310 3.960 -0.001 0.000 0.234 581 G HA3 0.350 4.310 3.960 -0.001 0.000 0.234 581 G C -0.020 174.798 174.900 -0.136 0.000 1.137 581 G CA 0.426 45.368 45.100 -0.264 0.000 0.763 581 G HN 0.520 nan 8.290 nan 0.000 0.549 582 V N -2.828 116.993 119.914 -0.156 0.000 3.074 582 V HA 0.631 4.751 4.120 -0.001 0.000 0.314 582 V C -0.290 175.739 176.094 -0.108 0.000 1.117 582 V CA -1.555 60.681 62.300 -0.107 0.000 1.014 582 V CB 2.101 33.860 31.823 -0.107 0.000 1.057 582 V HN -0.065 nan 8.190 nan 0.000 0.438 583 L N 4.248 125.422 121.223 -0.081 0.000 2.315 583 L HA 0.429 4.769 4.340 -0.001 0.000 0.283 583 L C -1.910 174.898 176.870 -0.103 0.000 1.089 583 L CA -1.324 53.465 54.840 -0.084 0.000 0.833 583 L CB 1.492 43.519 42.059 -0.054 0.000 1.170 583 L HN 0.632 nan 8.230 nan 0.000 0.442 584 P HA 0.240 nan 4.420 nan 0.000 0.276 584 P C -2.601 174.630 177.300 -0.115 0.000 1.244 584 P CA -1.934 61.077 63.100 -0.148 0.000 0.801 584 P CB 0.049 31.610 31.700 -0.233 0.000 1.006 585 P HA 0.170 nan 4.420 nan 0.000 0.235 585 P C 0.486 177.743 177.300 -0.072 0.000 1.765 585 P CA 0.291 63.350 63.100 -0.068 0.000 1.034 585 P CB -0.914 30.756 31.700 -0.049 0.000 1.984 586 I N -2.661 117.859 120.570 -0.083 0.000 4.526 586 I HA 0.084 4.253 4.170 -0.001 0.000 0.330 586 I C 1.400 177.478 176.117 -0.065 0.000 1.323 586 I CA -0.009 61.243 61.300 -0.079 0.000 1.218 586 I CB -0.275 37.662 38.000 -0.105 0.000 1.233 586 I HN -0.090 nan 8.210 nan 0.000 0.430 587 T N -1.071 113.447 114.554 -0.060 0.000 3.007 587 T HA 0.027 4.377 4.350 -0.001 0.000 0.270 587 T C 1.866 176.525 174.700 -0.069 0.000 1.107 587 T CA 1.085 63.157 62.100 -0.047 0.000 1.118 587 T CB -0.849 68.001 68.868 -0.031 0.000 0.889 587 T HN 0.463 nan 8.240 nan 0.000 0.506 588 G N 0.498 109.245 108.800 -0.088 0.000 2.625 588 G HA2 0.116 4.076 3.960 -0.001 0.000 0.214 588 G HA3 0.116 4.076 3.960 -0.001 0.000 0.214 588 G C 0.538 175.368 174.900 -0.115 0.000 1.132 588 G CA 0.379 45.402 45.100 -0.127 0.000 0.782 588 G HN 0.635 nan 8.290 nan 0.000 0.538 589 S N -0.471 115.183 115.700 -0.077 0.000 2.756 589 S HA 0.368 4.838 4.470 -0.001 0.000 0.303 589 S C 0.760 175.339 174.600 -0.034 0.000 1.135 589 S CA -0.818 57.348 58.200 -0.057 0.000 1.066 589 S CB 1.236 64.409 63.200 -0.046 0.000 1.008 589 S HN 0.027 nan 8.310 nan 0.000 0.482 590 L N 7.298 128.508 121.223 -0.022 0.000 2.017 590 L HA 0.228 4.567 4.340 -0.001 0.000 0.208 590 L C -1.157 175.714 176.870 0.002 0.000 1.073 590 L CA 1.958 56.798 54.840 0.001 0.000 0.745 590 L CB -1.084 40.987 42.059 0.020 0.000 0.894 590 L HN 0.471 nan 8.230 nan 0.000 0.432 591 P HA -0.149 nan 4.420 nan 0.000 0.215 591 P C 2.075 179.376 177.300 0.003 0.000 1.153 591 P CA 1.446 64.548 63.100 0.002 0.000 0.853 591 P CB -0.027 31.672 31.700 -0.001 0.000 0.788 592 V N -0.588 119.323 119.914 -0.005 0.000 2.295 592 V HA -0.239 3.881 4.120 -0.001 0.000 0.246 592 V C 2.331 178.427 176.094 0.004 0.000 1.049 592 V CA 2.537 64.835 62.300 -0.003 0.000 1.024 592 V CB -1.800 30.012 31.823 -0.017 0.000 0.648 592 V HN 0.183 nan 8.190 nan 0.000 0.447 593 T N -0.716 113.836 114.554 -0.004 0.000 2.720 593 T HA -0.327 4.023 4.350 -0.001 0.000 0.268 593 T C 1.913 176.630 174.700 0.029 0.000 1.037 593 T CA 2.093 64.195 62.100 0.003 0.000 1.144 593 T CB -0.247 68.620 68.868 -0.002 0.000 0.864 593 T HN 0.533 nan 8.240 nan 0.000 0.444 594 Q N 0.049 119.863 119.800 0.023 0.000 2.119 594 Q HA -0.038 4.301 4.340 -0.001 0.000 0.201 594 Q C 2.269 178.288 176.000 0.033 0.000 0.972 594 Q CA 1.135 56.953 55.803 0.025 0.000 0.847 594 Q CB -0.244 28.503 28.738 0.015 0.000 0.903 594 Q HN 0.546 nan 8.270 nan 0.000 0.433 595 I N 0.338 120.929 120.570 0.034 0.000 2.142 595 I HA -0.320 3.850 4.170 -0.001 0.000 0.240 595 I C 2.090 178.255 176.117 0.080 0.000 1.078 595 I CA 1.085 62.410 61.300 0.042 0.000 1.343 595 I CB -0.210 37.811 38.000 0.035 0.000 1.046 595 I HN 0.265 nan 8.210 nan 0.000 0.405 596 L N 0.076 121.364 121.223 0.109 0.000 2.201 596 L HA -0.143 4.196 4.340 -0.001 0.000 0.212 596 L C 2.402 179.441 176.870 0.283 0.000 1.105 596 L CA 1.718 56.689 54.840 0.219 0.000 0.775 596 L CB -0.696 41.470 42.059 0.178 0.000 0.913 596 L HN 0.450 nan 8.230 nan 0.000 0.440 597 T N -6.895 107.771 114.554 0.188 0.000 3.023 597 T HA 0.117 4.466 4.350 -0.001 0.000 0.253 597 T C 1.369 176.135 174.700 0.109 0.000 1.038 597 T CA 0.529 62.752 62.100 0.205 0.000 0.962 597 T CB 0.844 69.802 68.868 0.150 0.000 1.018 597 T HN 0.149 nan 8.240 nan 0.000 0.521 598 S N 0.169 115.899 115.700 0.051 0.000 4.198 598 S HA 0.167 4.637 4.470 -0.001 0.000 0.202 598 S C 1.755 176.337 174.600 -0.031 0.000 1.124 598 S CA 0.564 58.741 58.200 -0.038 0.000 1.050 598 S CB -0.279 62.898 63.200 -0.038 0.000 1.401 598 S HN 0.347 nan 8.310 nan 0.000 0.589 599 S N 1.536 117.233 115.700 -0.004 0.000 2.399 599 S HA -0.058 4.412 4.470 -0.001 0.000 0.231 599 S C 1.703 176.299 174.600 -0.008 0.000 1.022 599 S CA 1.231 59.426 58.200 -0.009 0.000 0.983 599 S CB -0.508 62.692 63.200 0.000 0.000 0.803 599 S HN 0.427 nan 8.310 nan 0.000 0.480 600 V N 2.172 122.096 119.914 0.016 0.000 2.720 600 V HA -0.193 3.926 4.120 -0.001 0.000 0.256 600 V C 1.956 178.053 176.094 0.005 0.000 1.082 600 V CA 1.594 63.899 62.300 0.008 0.000 1.101 600 V CB -0.545 31.306 31.823 0.046 0.000 0.693 600 V HN 0.433 nan 8.190 nan 0.000 0.479 601 K N -0.237 120.176 120.400 0.022 0.000 2.113 601 K HA -0.202 4.118 4.320 -0.001 0.000 0.208 601 K C 1.668 178.266 176.600 -0.003 0.000 1.047 601 K CA 1.850 58.150 56.287 0.022 0.000 0.928 601 K CB -0.301 32.160 32.500 -0.065 0.000 0.716 601 K HN 0.516 nan 8.250 nan 0.000 0.446 602 D N 0.256 120.644 120.400 -0.019 0.000 2.348 602 D HA -0.026 4.614 4.640 -0.001 0.000 0.216 602 D C 1.688 177.975 176.300 -0.021 0.000 0.970 602 D CA 0.830 54.825 54.000 -0.009 0.000 0.889 602 D CB 0.138 40.936 40.800 -0.004 0.000 0.912 602 D HN 0.283 nan 8.370 nan 0.000 0.524 603 I N -0.003 120.505 120.570 -0.104 0.000 2.681 603 I HA -0.099 4.071 4.170 -0.001 0.000 0.247 603 I C 2.239 178.239 176.117 -0.196 0.000 1.091 603 I CA 1.105 62.204 61.300 -0.335 0.000 1.442 603 I CB 0.031 37.774 38.000 -0.429 0.000 1.219 603 I HN -0.039 nan 8.210 nan 0.000 0.451 604 T N -2.750 111.747 114.554 -0.094 0.000 2.985 604 T HA 0.344 4.693 4.350 -0.001 0.000 0.254 604 T C 1.558 176.266 174.700 0.014 0.000 1.021 604 T CA 0.601 62.686 62.100 -0.024 0.000 0.957 604 T CB 0.965 69.819 68.868 -0.024 0.000 1.047 604 T HN 0.514 nan 8.240 nan 0.000 0.511 605 G N 0.743 109.560 108.800 0.028 0.000 2.253 605 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.251 605 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.251 605 G C 0.553 175.523 174.900 0.116 0.000 0.998 605 G CA 0.034 45.171 45.100 0.061 0.000 0.621 605 G HN 1.075 nan 8.290 nan 0.000 0.524 606 G N -0.681 108.159 108.800 0.066 0.000 2.535 606 G HA2 0.870 4.829 3.960 -0.001 0.000 0.303 606 G HA3 0.870 4.829 3.960 -0.001 0.000 0.303 606 G C -0.555 174.425 174.900 0.134 0.000 1.237 606 G CA -0.190 44.908 45.100 -0.002 0.000 0.986 606 G HN 1.689 nan 8.290 nan 0.000 0.494 607 Y N -3.434 116.770 120.300 -0.160 0.000 2.598 607 Y HA 0.548 5.097 4.550 -0.001 0.000 0.333 607 Y C -1.556 174.245 175.900 -0.166 0.000 1.196 607 Y CA -2.203 55.824 58.100 -0.122 0.000 1.145 607 Y CB 0.283 38.721 38.460 -0.037 0.000 1.349 607 Y HN 0.436 nan 8.280 nan 0.000 0.469 608 F N 2.892 122.895 119.950 0.089 0.000 2.429 608 F HA 0.537 5.064 4.527 -0.001 0.000 0.348 608 F C 0.325 176.190 175.800 0.109 0.000 1.109 608 F CA -0.311 57.701 58.000 0.019 0.000 1.232 608 F CB 0.849 39.854 39.000 0.008 0.000 1.157 608 F HN 0.415 nan 8.300 nan 0.000 0.564 609 I N 4.055 124.790 120.570 0.276 0.000 2.405 609 I HA 0.214 4.384 4.170 -0.001 0.000 0.280 609 I C -1.069 175.199 176.117 0.252 0.000 1.027 609 I CA -0.634 60.818 61.300 0.254 0.000 1.161 609 I CB 1.077 39.200 38.000 0.204 0.000 1.300 609 I HN 0.128 nan 8.210 nan 0.000 0.463 610 V N 5.478 125.495 119.914 0.172 0.000 2.389 610 V HA 0.328 4.447 4.120 -0.001 0.000 0.264 610 V C -0.074 176.095 176.094 0.126 0.000 1.049 610 V CA -0.141 62.213 62.300 0.091 0.000 0.932 610 V CB 0.918 32.750 31.823 0.015 0.000 1.011 610 V HN 0.643 nan 8.190 nan 0.000 0.475 611 E N 4.292 124.605 120.200 0.188 0.000 2.334 611 E HA 0.409 4.758 4.350 -0.001 0.000 0.280 611 E C -0.405 176.314 176.600 0.200 0.000 0.899 611 E CA -0.521 55.986 56.400 0.179 0.000 0.813 611 E CB 1.558 31.348 29.700 0.150 0.000 1.318 611 E HN 0.304 nan 8.360 nan 0.000 0.399 612 L N 2.452 123.729 121.223 0.089 0.000 2.418 612 L HA 0.242 4.581 4.340 -0.001 0.000 0.218 612 L C 0.473 177.372 176.870 0.047 0.000 1.125 612 L CA 0.694 55.568 54.840 0.056 0.000 0.835 612 L CB -0.215 41.858 42.059 0.023 0.000 0.953 612 L HN 0.551 nan 8.230 nan 0.000 0.454 613 D N 0.344 120.769 120.400 0.041 0.000 2.339 613 D HA 0.109 4.748 4.640 -0.001 0.000 0.241 613 D C -1.462 174.840 176.300 0.004 0.000 1.183 613 D CA -1.809 52.202 54.000 0.018 0.000 0.859 613 D CB 1.331 42.138 40.800 0.012 0.000 1.067 613 D HN -0.066 nan 8.370 nan 0.000 0.484 614 P HA -0.149 nan 4.420 nan 0.000 0.217 614 P C 0.751 178.027 177.300 -0.040 0.000 1.150 614 P CA 1.028 64.112 63.100 -0.028 0.000 0.832 614 P CB 0.363 32.045 31.700 -0.029 0.000 0.787 615 E N -0.341 119.846 120.200 -0.021 0.000 2.077 615 E HA -0.116 4.234 4.350 -0.001 0.000 0.193 615 E C 2.008 178.594 176.600 -0.024 0.000 0.989 615 E CA 1.716 58.107 56.400 -0.014 0.000 0.800 615 E CB -0.690 29.009 29.700 -0.003 0.000 0.746 615 E HN 0.262 nan 8.360 nan 0.000 0.452 616 T N 0.819 115.358 114.554 -0.025 0.000 2.821 616 T HA -0.105 4.244 4.350 -0.001 0.000 0.267 616 T C 2.015 176.675 174.700 -0.067 0.000 1.046 616 T CA 1.033 63.116 62.100 -0.027 0.000 1.139 616 T CB -0.219 68.644 68.868 -0.010 0.000 0.871 616 T HN 0.248 nan 8.240 nan 0.000 0.454 617 A N 1.709 124.454 122.820 -0.124 0.000 1.883 617 A HA 0.067 4.386 4.320 -0.001 0.000 0.217 617 A C 2.667 180.095 177.584 -0.260 0.000 1.186 617 A CA 1.963 53.809 52.037 -0.318 0.000 0.624 617 A CB -1.200 17.430 19.000 -0.617 0.000 0.822 617 A HN 0.512 nan 8.150 nan 0.000 0.444 618 A N -0.020 122.713 122.820 -0.145 0.000 1.908 618 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 618 A C 1.787 179.343 177.584 -0.046 0.000 1.181 618 A CA 1.977 53.974 52.037 -0.068 0.000 0.627 618 A CB -0.658 18.336 19.000 -0.010 0.000 0.818 618 A HN 0.475 nan 8.150 nan 0.000 0.445 619 D N -0.202 120.177 120.400 -0.035 0.000 2.117 619 D HA -0.126 4.514 4.640 -0.001 0.000 0.197 619 D C 1.938 178.226 176.300 -0.021 0.000 0.987 619 D CA 1.433 55.425 54.000 -0.013 0.000 0.829 619 D CB -0.280 40.519 40.800 -0.002 0.000 0.961 619 D HN 0.508 nan 8.370 nan 0.000 0.460 620 K N 0.112 120.489 120.400 -0.039 0.000 2.057 620 K HA -0.047 4.272 4.320 -0.001 0.000 0.207 620 K C 2.322 178.903 176.600 -0.033 0.000 1.049 620 K CA 0.545 56.817 56.287 -0.024 0.000 0.931 620 K CB -0.121 32.368 32.500 -0.018 0.000 0.714 620 K HN 0.139 nan 8.250 nan 0.000 0.440 621 L N 0.800 121.978 121.223 -0.074 0.000 2.056 621 L HA -0.168 4.172 4.340 -0.001 0.000 0.207 621 L C 2.281 179.116 176.870 -0.058 0.000 1.078 621 L CA 0.931 55.722 54.840 -0.082 0.000 0.749 621 L CB -0.328 41.659 42.059 -0.120 0.000 0.901 621 L HN 0.150 nan 8.230 nan 0.000 0.433 622 L N -0.553 120.648 121.223 -0.037 0.000 2.046 622 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 622 L C 2.856 179.705 176.870 -0.035 0.000 1.077 622 L CA 1.179 56.010 54.840 -0.015 0.000 0.747 622 L CB -0.689 41.380 42.059 0.017 0.000 0.896 622 L HN 0.246 nan 8.230 nan 0.000 0.432 623 A N -0.064 122.732 122.820 -0.040 0.000 1.902 623 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 623 A C 2.523 180.046 177.584 -0.102 0.000 1.181 623 A CA 1.782 53.771 52.037 -0.081 0.000 0.623 623 A CB -0.734 18.238 19.000 -0.047 0.000 0.818 623 A HN 0.407 nan 8.150 nan 0.000 0.443 624 A N -0.103 122.693 122.820 -0.039 0.000 1.902 624 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 624 A C 2.133 179.681 177.584 -0.059 0.000 1.181 624 A CA 1.511 53.547 52.037 -0.002 0.000 0.623 624 A CB -0.606 18.405 19.000 0.019 0.000 0.818 624 A HN 0.496 nan 8.150 nan 0.000 0.443 625 I N 0.127 120.653 120.570 -0.073 0.000 2.179 625 I HA -0.276 3.894 4.170 -0.001 0.000 0.242 625 I C 2.074 178.128 176.117 -0.105 0.000 1.088 625 I CA 1.328 62.585 61.300 -0.071 0.000 1.357 625 I CB -0.441 37.531 38.000 -0.046 0.000 1.051 625 I HN 0.312 nan 8.210 nan 0.000 0.409 626 N N 0.699 119.300 118.700 -0.166 0.000 2.188 626 N HA -0.162 4.577 4.740 -0.001 0.000 0.184 626 N C 1.712 176.876 175.510 -0.576 0.000 1.018 626 N CA 1.135 53.978 53.050 -0.344 0.000 0.858 626 N CB -0.249 37.986 38.487 -0.419 0.000 0.989 626 N HN 0.436 nan 8.380 nan 0.000 0.426 627 E N 0.525 120.469 120.200 -0.426 0.000 2.085 627 E HA -0.094 4.255 4.350 -0.001 0.000 0.194 627 E C 1.996 178.475 176.600 -0.201 0.000 0.994 627 E CA 0.812 57.014 56.400 -0.329 0.000 0.801 627 E CB 0.107 29.693 29.700 -0.189 0.000 0.743 627 E HN 0.203 nan 8.360 nan 0.000 0.453 628 R N 0.676 121.097 120.500 -0.131 0.000 2.081 628 R HA -0.069 4.271 4.340 -0.001 0.000 0.235 628 R C 2.264 178.528 176.300 -0.061 0.000 1.131 628 R CA 1.121 57.180 56.100 -0.069 0.000 0.960 628 R CB -0.504 29.770 30.300 -0.043 0.000 0.856 628 R HN 0.214 nan 8.270 nan 0.000 0.436 629 R N 0.416 120.872 120.500 -0.074 0.000 2.083 629 R HA -0.093 4.246 4.340 -0.001 0.000 0.237 629 R C 2.350 178.665 176.300 0.023 0.000 1.137 629 R CA 1.603 57.703 56.100 -0.001 0.000 0.951 629 R CB -0.541 29.799 30.300 0.067 0.000 0.851 629 R HN 0.212 nan 8.270 nan 0.000 0.434 630 A N 0.862 123.636 122.820 -0.076 0.000 1.940 630 A HA -0.108 4.212 4.320 -0.001 0.000 0.219 630 A C 2.419 180.017 177.584 0.023 0.000 1.176 630 A CA 1.805 53.852 52.037 0.017 0.000 0.631 630 A CB -1.152 17.777 19.000 -0.118 0.000 0.814 630 A HN 0.497 nan 8.150 nan 0.000 0.446 631 G N -0.533 108.253 108.800 -0.023 0.000 2.448 631 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.219 631 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.219 631 G C 1.281 176.188 174.900 0.012 0.000 1.127 631 G CA 0.904 46.000 45.100 -0.007 0.000 0.766 631 G HN 0.461 nan 8.290 nan 0.000 0.552 632 L N 0.362 121.597 121.223 0.019 0.000 2.611 632 L HA 0.278 4.618 4.340 -0.001 0.000 0.229 632 L C 1.873 178.769 176.870 0.043 0.000 1.137 632 L CA 0.299 55.156 54.840 0.028 0.000 0.901 632 L CB 0.012 42.086 42.059 0.025 0.000 1.098 632 L HN 0.329 nan 8.230 nan 0.000 0.456 633 G N 0.735 109.570 108.800 0.058 0.000 2.160 633 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.251 633 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.251 633 G C 0.066 175.018 174.900 0.087 0.000 1.008 633 G CA -0.027 45.115 45.100 0.070 0.000 0.724 633 G HN 0.257 nan 8.290 nan 0.000 0.514 634 L N 0.302 121.594 121.223 0.115 0.000 2.343 634 L HA 0.511 4.851 4.340 -0.001 0.000 0.275 634 L C -1.696 175.296 176.870 0.203 0.000 1.056 634 L CA -2.439 52.476 54.840 0.125 0.000 0.804 634 L CB 1.302 43.427 42.059 0.109 0.000 1.203 634 L HN -0.122 nan 8.230 nan 0.000 0.440 635 P HA 0.062 nan 4.420 nan 0.000 0.269 635 P C -1.193 176.212 177.300 0.174 0.000 1.215 635 P CA -0.134 63.000 63.100 0.058 0.000 0.780 635 P CB 0.438 32.127 31.700 -0.017 0.000 0.898 636 W N 0.000 121.303 121.300 0.005 0.000 2.388 636 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 636 W CA 0.000 57.349 57.345 0.006 0.000 1.226 636 W CB 0.000 29.464 29.460 0.007 0.000 1.126 636 W HN 0.000 nan 8.180 nan 0.000 0.535