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 1suf_1_A 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 0.000 175.902 176.000 -0.163 0.000 1.003 4 Q CA 0.000 55.712 55.803 -0.152 0.000 1.022 4 Q CB 0.000 28.646 28.738 -0.154 0.000 1.108 5 N N 1.066 119.711 118.700 -0.092 0.000 2.520 5 N HA -0.039 4.700 4.740 -0.000 0.000 0.185 5 N C 1.628 177.105 175.510 -0.055 0.000 1.068 5 N CA 0.767 53.778 53.050 -0.064 0.000 0.911 5 N CB -0.222 38.248 38.487 -0.028 0.000 0.961 5 N HN 0.158 nan 8.380 nan 0.000 0.446 6 L N -0.428 120.757 121.223 -0.063 0.000 2.395 6 L HA 0.079 4.418 4.340 -0.000 0.000 0.218 6 L C 2.005 178.850 176.870 -0.041 0.000 1.130 6 L CA 0.829 55.653 54.840 -0.028 0.000 0.826 6 L CB -0.180 41.872 42.059 -0.011 0.000 0.941 6 L HN 0.164 nan 8.230 nan 0.000 0.451 7 K N -0.834 119.449 120.400 -0.194 0.000 2.141 7 K HA 0.108 4.428 4.320 -0.000 0.000 0.202 7 K C 0.825 177.266 176.600 -0.265 0.000 1.045 7 K CA 0.433 56.458 56.287 -0.436 0.000 0.971 7 K CB 0.335 32.136 32.500 -1.166 0.000 0.795 7 K HN 0.056 nan 8.250 nan 0.000 0.459 8 S N -0.171 115.367 115.700 -0.271 0.000 2.541 8 S HA 0.134 4.604 4.470 -0.000 0.000 0.280 8 S C 0.351 174.951 174.600 -0.000 0.000 1.112 8 S CA -0.754 57.411 58.200 -0.057 0.000 0.925 8 S CB 1.672 64.805 63.200 -0.111 0.000 1.067 8 S HN 0.292 nan 8.310 nan 0.000 0.479 9 T N -0.177 114.432 114.554 0.092 0.000 3.129 9 T HA 0.140 4.490 4.350 -0.000 0.000 0.251 9 T C 0.267 175.115 174.700 0.246 0.000 1.117 9 T CA 0.086 62.263 62.100 0.128 0.000 1.034 9 T CB -0.248 68.671 68.868 0.086 0.000 0.968 9 T HN 0.512 nan 8.240 nan 0.000 0.526 10 D N 1.213 121.731 120.400 0.196 0.000 2.316 10 D HA 0.212 4.851 4.640 -0.000 0.000 0.245 10 D C 1.036 177.348 176.300 0.021 0.000 1.171 10 D CA -0.440 53.611 54.000 0.086 0.000 0.856 10 D CB 1.138 41.976 40.800 0.064 0.000 1.090 10 D HN 0.181 nan 8.370 nan 0.000 0.476 11 R N 2.685 123.186 120.500 0.002 0.000 2.115 11 R HA -0.087 4.253 4.340 -0.000 0.000 0.230 11 R C 1.916 178.205 176.300 -0.019 0.000 1.111 11 R CA 1.323 57.418 56.100 -0.008 0.000 0.976 11 R CB 0.024 30.321 30.300 -0.005 0.000 0.870 11 R HN 0.484 nan 8.270 nan 0.000 0.445 12 A N 0.574 123.381 122.820 -0.022 0.000 1.898 12 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 12 A C 2.298 179.877 177.584 -0.009 0.000 1.181 12 A CA 1.140 53.168 52.037 -0.015 0.000 0.620 12 A CB -0.404 18.587 19.000 -0.016 0.000 0.819 12 A HN 0.101 nan 8.150 nan 0.000 0.442 13 V N 0.101 120.014 119.914 -0.002 0.000 2.343 13 V HA -0.333 3.787 4.120 -0.000 0.000 0.247 13 V C 2.635 178.691 176.094 -0.063 0.000 1.051 13 V CA 2.275 64.573 62.300 -0.002 0.000 1.036 13 V CB -0.987 30.856 31.823 0.033 0.000 0.654 13 V HN 0.642 nan 8.190 nan 0.000 0.451 14 Q N -0.419 119.334 119.800 -0.077 0.000 2.096 14 Q HA -0.321 4.019 4.340 -0.000 0.000 0.204 14 Q C 2.374 178.334 176.000 -0.065 0.000 0.982 14 Q CA 2.157 57.901 55.803 -0.099 0.000 0.850 14 Q CB -0.253 28.442 28.738 -0.073 0.000 0.901 14 Q HN 0.692 nan 8.270 nan 0.000 0.422 15 Q N -0.209 119.568 119.800 -0.038 0.000 2.084 15 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 15 Q C 1.927 177.916 176.000 -0.017 0.000 0.978 15 Q CA 1.112 56.900 55.803 -0.024 0.000 0.844 15 Q CB 0.148 28.877 28.738 -0.015 0.000 0.898 15 Q HN 0.328 nan 8.270 nan 0.000 0.426 16 M N -0.029 119.564 119.600 -0.011 0.000 2.319 16 M HA -0.079 4.400 4.480 -0.000 0.000 0.265 16 M C 2.047 178.351 176.300 0.007 0.000 1.068 16 M CA 0.977 56.281 55.300 0.007 0.000 1.118 16 M CB -0.570 32.045 32.600 0.026 0.000 1.395 16 M HN 0.302 nan 8.290 nan 0.000 0.435 17 L N -0.159 121.049 121.223 -0.026 0.000 2.083 17 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 17 L C 2.002 178.858 176.870 -0.023 0.000 1.083 17 L CA 0.941 55.758 54.840 -0.038 0.000 0.752 17 L CB -0.621 41.349 42.059 -0.149 0.000 0.899 17 L HN 0.229 nan 8.230 nan 0.000 0.433 18 D N -0.024 120.359 120.400 -0.029 0.000 2.117 18 D HA -0.199 4.440 4.640 -0.000 0.000 0.197 18 D C 2.105 178.403 176.300 -0.003 0.000 0.987 18 D CA 1.126 55.115 54.000 -0.018 0.000 0.829 18 D CB 0.025 40.813 40.800 -0.021 0.000 0.961 18 D HN 0.208 nan 8.370 nan 0.000 0.460 19 K N 0.606 121.007 120.400 0.001 0.000 2.026 19 K HA -0.078 4.242 4.320 -0.000 0.000 0.208 19 K C 2.008 178.619 176.600 0.017 0.000 1.048 19 K CA 1.254 57.546 56.287 0.009 0.000 0.929 19 K CB -0.040 32.465 32.500 0.010 0.000 0.713 19 K HN 0.009 nan 8.250 nan 0.000 0.439 20 A N 1.570 124.406 122.820 0.027 0.000 1.933 20 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 20 A C 2.051 179.657 177.584 0.036 0.000 1.175 20 A CA 1.832 53.893 52.037 0.040 0.000 0.628 20 A CB -0.505 18.535 19.000 0.066 0.000 0.814 20 A HN 0.395 nan 8.150 nan 0.000 0.444 21 K N 0.167 120.584 120.400 0.027 0.000 2.002 21 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 21 K C 2.299 178.910 176.600 0.017 0.000 1.048 21 K CA 1.694 57.995 56.287 0.023 0.000 0.930 21 K CB -0.235 32.272 32.500 0.012 0.000 0.714 21 K HN 0.630 nan 8.250 nan 0.000 0.438 22 R N 0.059 120.567 120.500 0.012 0.000 2.189 22 R HA -0.051 4.289 4.340 -0.000 0.000 0.218 22 R C 1.050 177.357 176.300 0.012 0.000 1.074 22 R CA 1.365 57.471 56.100 0.010 0.000 0.991 22 R CB -0.120 30.183 30.300 0.005 0.000 0.883 22 R HN 0.272 nan 8.270 nan 0.000 0.457 23 E N 0.573 120.783 120.200 0.016 0.000 2.479 23 E HA 0.090 4.440 4.350 -0.000 0.000 0.193 23 E C 0.412 177.024 176.600 0.020 0.000 1.049 23 E CA 0.263 56.672 56.400 0.016 0.000 0.870 23 E CB 0.539 30.249 29.700 0.017 0.000 0.944 23 E HN 0.632 nan 8.360 nan 0.000 0.492 24 G N 2.149 110.963 108.800 0.024 0.000 2.221 24 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.265 24 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.265 24 G C 0.096 175.016 174.900 0.033 0.000 1.041 24 G CA 0.016 45.132 45.100 0.027 0.000 0.807 24 G HN 0.232 nan 8.290 nan 0.000 0.502 25 I N 0.649 121.243 120.570 0.039 0.000 2.312 25 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 25 I C 0.879 177.034 176.117 0.063 0.000 1.031 25 I CA -0.442 60.886 61.300 0.047 0.000 1.293 25 I CB 1.398 39.426 38.000 0.047 0.000 1.403 25 I HN 0.244 nan 8.210 nan 0.000 0.484 26 Q N 5.547 125.384 119.800 0.062 0.000 2.313 26 Q HA 0.186 4.526 4.340 -0.000 0.000 0.266 26 Q C -0.081 175.976 176.000 0.095 0.000 0.989 26 Q CA -0.126 55.723 55.803 0.076 0.000 0.890 26 Q CB 0.972 29.746 28.738 0.060 0.000 1.200 26 Q HN 0.781 nan 8.270 nan 0.000 0.396 27 T N -0.635 114.000 114.554 0.135 0.000 2.938 27 T HA 0.200 4.550 4.350 -0.000 0.000 0.285 27 T C 0.858 175.637 174.700 0.132 0.000 1.028 27 T CA -0.496 61.705 62.100 0.170 0.000 1.005 27 T CB 1.129 70.186 68.868 0.316 0.000 1.157 27 T HN 0.431 nan 8.240 nan 0.000 0.550 28 V N 0.419 120.354 119.914 0.035 0.000 2.380 28 V HA -0.106 4.014 4.120 -0.000 0.000 0.251 28 V C 1.819 177.865 176.094 -0.080 0.000 1.063 28 V CA 1.655 63.881 62.300 -0.124 0.000 1.055 28 V CB -0.903 30.698 31.823 -0.370 0.000 0.657 28 V HN 0.850 nan 8.190 nan 0.000 0.455 29 W N -0.110 121.255 121.300 0.108 0.000 2.402 29 W HA -0.084 4.576 4.660 -0.000 0.000 0.286 29 W C 2.287 178.892 176.519 0.144 0.000 1.221 29 W CA 1.276 58.715 57.345 0.158 0.000 1.257 29 W CB -0.691 28.841 29.460 0.121 0.000 1.120 29 W HN 0.420 nan 8.180 nan 0.000 0.551 30 D N -0.217 120.364 120.400 0.302 0.000 2.149 30 D HA -0.103 4.536 4.640 -0.000 0.000 0.201 30 D C 2.103 178.480 176.300 0.129 0.000 0.972 30 D CA 1.113 55.221 54.000 0.179 0.000 0.835 30 D CB -0.360 40.522 40.800 0.136 0.000 0.966 30 D HN 0.218 nan 8.370 nan 0.000 0.476 31 R N -0.294 120.279 120.500 0.122 0.000 2.115 31 R HA -0.131 4.208 4.340 -0.000 0.000 0.230 31 R C 2.275 178.654 176.300 0.131 0.000 1.111 31 R CA 0.603 56.758 56.100 0.092 0.000 0.976 31 R CB -0.339 29.999 30.300 0.063 0.000 0.870 31 R HN 0.232 nan 8.270 nan 0.000 0.445 32 Y N 2.194 122.501 120.300 0.011 0.000 2.145 32 Y HA -0.235 4.315 4.550 -0.001 0.000 0.286 32 Y C 2.229 178.154 175.900 0.041 0.000 1.145 32 Y CA 1.766 59.874 58.100 0.013 0.000 1.148 32 Y CB -0.436 38.024 38.460 0.001 0.000 0.981 32 Y HN -0.052 nan 8.280 nan 0.000 0.507 33 E N 0.482 120.627 120.200 -0.091 0.000 2.118 33 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 33 E C 2.149 178.680 176.600 -0.115 0.000 0.992 33 E CA 1.592 57.879 56.400 -0.188 0.000 0.804 33 E CB -0.608 29.065 29.700 -0.046 0.000 0.741 33 E HN 0.487 nan 8.360 nan 0.000 0.458 34 A N -0.478 122.324 122.820 -0.030 0.000 2.172 34 A HA -0.050 4.269 4.320 -0.000 0.000 0.216 34 A C 1.985 179.561 177.584 -0.014 0.000 1.154 34 A CA 1.323 53.352 52.037 -0.012 0.000 0.701 34 A CB -0.384 18.626 19.000 0.016 0.000 0.789 34 A HN 0.356 nan 8.150 nan 0.000 0.465 35 M N -0.378 119.212 119.600 -0.017 0.000 2.541 35 M HA 0.191 4.671 4.480 -0.000 0.000 0.252 35 M C 0.366 176.651 176.300 -0.024 0.000 1.125 35 M CA 0.534 55.839 55.300 0.008 0.000 1.091 35 M CB -0.139 32.507 32.600 0.078 0.000 1.420 35 M HN 0.115 nan 8.290 nan 0.000 0.486 36 K N 2.179 122.520 120.400 -0.098 0.000 2.237 36 K HA 0.262 4.582 4.320 -0.000 0.000 0.270 36 K C -2.145 174.423 176.600 -0.053 0.000 1.015 36 K CA -1.417 54.809 56.287 -0.101 0.000 0.949 36 K CB -0.079 32.308 32.500 -0.189 0.000 0.976 36 K HN 0.165 nan 8.250 nan 0.000 0.472 37 P HA 0.083 nan 4.420 nan 0.000 0.279 37 P C -0.928 176.373 177.300 0.001 0.000 1.239 37 P CA -0.395 62.691 63.100 -0.022 0.000 0.789 37 P CB 0.901 32.592 31.700 -0.016 0.000 0.933 38 Q N 0.306 120.117 119.800 0.018 0.000 2.368 38 Q HA 0.203 4.543 4.340 -0.000 0.000 0.237 38 Q C 0.031 176.047 176.000 0.027 0.000 0.987 38 Q CA -0.435 55.391 55.803 0.039 0.000 0.896 38 Q CB 0.972 29.753 28.738 0.071 0.000 1.241 38 Q HN 0.562 nan 8.270 nan 0.000 0.485 39 C N 1.507 120.833 119.300 0.043 0.000 2.648 39 C HA 0.200 4.660 4.460 -0.000 0.000 0.415 39 C C 1.726 176.721 174.990 0.008 0.000 1.366 39 C CA 0.069 59.122 59.018 0.059 0.000 1.756 39 C CB -0.822 26.986 27.740 0.114 0.000 2.549 39 C HN 0.979 nan 8.230 nan 0.000 0.597 40 G N 3.725 112.465 108.800 -0.100 0.000 2.572 40 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.216 40 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.216 40 G C 0.984 175.733 174.900 -0.251 0.000 1.133 40 G CA 0.449 45.428 45.100 -0.202 0.000 0.791 40 G HN 0.764 nan 8.290 nan 0.000 0.538 41 F N 1.545 121.484 119.950 -0.017 0.000 2.084 41 F HA 0.087 4.614 4.527 -0.000 0.000 0.296 41 F C 2.857 178.637 175.800 -0.034 0.000 1.111 41 F CA 1.140 59.121 58.000 -0.032 0.000 1.224 41 F CB -0.737 38.245 39.000 -0.030 0.000 0.991 41 F HN 0.147 nan 8.300 nan 0.000 0.471 42 G N -0.520 108.377 108.800 0.162 0.000 2.408 42 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 42 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 42 G C 1.510 176.426 174.900 0.026 0.000 1.150 42 G CA 0.689 45.834 45.100 0.075 0.000 0.776 42 G HN 0.354 nan 8.290 nan 0.000 0.542 43 E N -0.009 120.195 120.200 0.007 0.000 2.110 43 E HA -0.118 4.231 4.350 -0.000 0.000 0.193 43 E C 2.693 179.275 176.600 -0.030 0.000 0.988 43 E CA 1.500 57.891 56.400 -0.015 0.000 0.804 43 E CB -0.089 29.598 29.700 -0.022 0.000 0.745 43 E HN 0.601 nan 8.360 nan 0.000 0.458 44 T N -3.640 110.893 114.554 -0.036 0.000 3.107 44 T HA 0.263 4.613 4.350 -0.000 0.000 0.249 44 T C 1.481 176.158 174.700 -0.038 0.000 1.096 44 T CA 0.403 62.474 62.100 -0.049 0.000 1.012 44 T CB 0.752 69.573 68.868 -0.079 0.000 0.977 44 T HN 0.271 nan 8.240 nan 0.000 0.527 45 G N 1.558 110.348 108.800 -0.016 0.000 2.176 45 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.253 45 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.253 45 G C 0.250 175.147 174.900 -0.006 0.000 0.979 45 G CA 0.099 45.188 45.100 -0.018 0.000 0.641 45 G HN 0.584 nan 8.290 nan 0.000 0.530 46 L N 0.882 122.123 121.223 0.029 0.000 2.727 46 L HA 0.507 4.847 4.340 -0.000 0.000 0.237 46 L C 0.699 177.617 176.870 0.079 0.000 1.370 46 L CA -0.313 54.560 54.840 0.055 0.000 1.248 46 L CB 0.127 42.242 42.059 0.093 0.000 1.556 46 L HN 0.378 nan 8.230 nan 0.000 0.420 47 C N 0.257 119.564 119.300 0.011 0.000 2.880 47 C HA 0.677 5.137 4.460 -0.000 0.000 0.320 47 C C -0.698 174.249 174.990 -0.073 0.000 1.176 47 C CA -0.997 58.003 59.018 -0.029 0.000 1.390 47 C CB 1.275 29.021 27.740 0.011 0.000 1.846 47 C HN 0.673 nan 8.230 nan 0.000 0.478 48 C N 5.753 124.992 119.300 -0.102 0.000 2.535 48 C HA 0.746 5.206 4.460 -0.000 0.000 0.319 48 C C 0.243 175.195 174.990 -0.064 0.000 1.171 48 C CA -0.397 58.529 59.018 -0.153 0.000 1.394 48 C CB 0.895 28.494 27.740 -0.234 0.000 1.990 48 C HN 1.056 nan 8.230 nan 0.000 0.466 49 R N 2.548 123.071 120.500 0.039 0.000 2.690 49 R HA 0.218 4.558 4.340 -0.000 0.000 0.419 49 R C 0.705 177.122 176.300 0.195 0.000 1.090 49 R CA -0.168 55.985 56.100 0.089 0.000 1.064 49 R CB -0.107 30.235 30.300 0.069 0.000 1.391 49 R HN 0.824 nan 8.270 nan 0.000 0.586 50 H N -0.743 118.316 119.070 -0.017 0.000 2.556 50 H HA 0.045 4.601 4.556 -0.001 0.000 0.268 50 H C 0.914 176.236 175.328 -0.009 0.000 0.996 50 H CA 0.018 56.060 56.048 -0.011 0.000 1.157 50 H CB 0.322 30.080 29.762 -0.007 0.000 1.355 50 H HN 0.336 nan 8.280 nan 0.000 0.597 51 C N -2.064 117.295 119.300 0.100 0.000 3.323 51 C HA 0.322 4.781 4.460 -0.000 0.000 0.324 51 C C 1.125 176.130 174.990 0.025 0.000 1.428 51 C CA -1.035 58.012 59.018 0.048 0.000 1.368 51 C CB 0.614 28.377 27.740 0.038 0.000 1.731 51 C HN 0.217 nan 8.230 nan 0.000 0.455 52 L N 0.897 122.127 121.223 0.012 0.000 2.599 52 L HA 0.076 4.416 4.340 -0.000 0.000 0.230 52 L C 2.312 179.180 176.870 -0.003 0.000 1.141 52 L CA 0.647 55.489 54.840 0.003 0.000 0.877 52 L CB -0.570 41.489 42.059 0.000 0.000 1.009 52 L HN 0.779 nan 8.230 nan 0.000 0.447 53 Q N 0.029 119.828 119.800 -0.002 0.000 2.389 53 Q HA 0.062 4.402 4.340 -0.000 0.000 0.204 53 Q C 1.433 177.422 176.000 -0.019 0.000 0.944 53 Q CA 0.366 56.163 55.803 -0.010 0.000 0.908 53 Q CB 0.191 28.922 28.738 -0.010 0.000 1.002 53 Q HN 0.533 nan 8.270 nan 0.000 0.493 54 G N 2.156 110.946 108.800 -0.016 0.000 2.553 54 G HA2 0.244 4.204 3.960 -0.000 0.000 0.278 54 G HA3 0.244 4.204 3.960 -0.000 0.000 0.278 54 G C -2.208 172.674 174.900 -0.030 0.000 1.349 54 G CA -0.856 44.227 45.100 -0.028 0.000 1.037 54 G HN 0.025 nan 8.290 nan 0.000 0.508 55 P HA 0.308 nan 4.420 nan 0.000 0.276 55 P C -0.711 176.535 177.300 -0.090 0.000 1.230 55 P CA -0.241 62.824 63.100 -0.059 0.000 0.776 55 P CB 0.974 32.636 31.700 -0.062 0.000 0.888 56 C N 3.764 123.006 119.300 -0.097 0.000 2.391 56 C HA 0.732 5.191 4.460 -0.000 0.000 0.339 56 C C 0.767 175.657 174.990 -0.166 0.000 1.205 56 C CA -0.334 58.611 59.018 -0.122 0.000 1.937 56 C CB 1.126 28.809 27.740 -0.095 0.000 2.341 56 C HN 0.736 nan 8.230 nan 0.000 0.516 57 R N 1.561 121.931 120.500 -0.218 0.000 2.799 57 R HA 0.857 5.196 4.340 -0.000 0.000 0.270 57 R C -2.079 174.126 176.300 -0.159 0.000 1.010 57 R CA -0.673 55.258 56.100 -0.282 0.000 0.916 57 R CB 1.154 30.994 30.300 -0.768 0.000 1.228 57 R HN 0.658 nan 8.270 nan 0.000 0.469 58 I N 1.332 121.896 120.570 -0.011 0.000 2.499 58 I HA 0.261 4.430 4.170 -0.000 0.000 0.288 58 I C -0.637 175.617 176.117 0.229 0.000 1.048 58 I CA -1.037 60.297 61.300 0.057 0.000 1.062 58 I CB 2.304 40.309 38.000 0.007 0.000 1.238 58 I HN 0.660 nan 8.210 nan 0.000 0.426 59 N N 7.655 126.483 118.700 0.215 0.000 2.447 59 N HA 0.031 4.771 4.740 -0.000 0.000 0.263 59 N C -1.728 173.764 175.510 -0.030 0.000 1.226 59 N CA -0.884 52.286 53.050 0.200 0.000 0.906 59 N CB 0.677 39.252 38.487 0.147 0.000 1.060 59 N HN 0.389 nan 8.380 nan 0.000 0.468 60 P HA -0.123 nan 4.420 nan 0.000 0.216 60 P C -0.661 176.141 177.300 -0.830 0.000 1.153 60 P CA 1.430 64.234 63.100 -0.492 0.000 0.858 60 P CB 0.278 31.724 31.700 -0.424 0.000 0.789 61 F N -3.374 116.571 119.950 -0.007 0.000 2.613 61 F HA 0.601 5.128 4.527 -0.000 0.000 0.310 61 F C 1.016 176.821 175.800 0.008 0.000 1.085 61 F CA 0.001 58.000 58.000 -0.002 0.000 0.945 61 F CB 1.671 40.663 39.000 -0.013 0.000 1.298 61 F HN 0.067 nan 8.300 nan 0.000 0.455 62 G N 1.534 110.465 108.800 0.217 0.000 2.460 62 G HA2 -0.052 3.907 3.960 -0.000 0.000 0.207 62 G HA3 -0.052 3.907 3.960 -0.000 0.000 0.207 62 G C -1.229 173.723 174.900 0.086 0.000 1.170 62 G CA -0.451 44.725 45.100 0.127 0.000 1.151 62 G HN 0.537 nan 8.290 nan 0.000 0.575 63 D N 0.953 121.394 120.400 0.069 0.000 2.560 63 D HA 0.530 5.170 4.640 -0.000 0.000 0.277 63 D C 0.626 176.954 176.300 0.047 0.000 1.194 63 D CA -0.396 53.634 54.000 0.050 0.000 1.092 63 D CB 0.067 40.892 40.800 0.041 0.000 1.169 63 D HN 0.585 nan 8.370 nan 0.000 0.607 64 E N 0.819 121.038 120.200 0.033 0.000 2.418 64 E HA 0.160 4.510 4.350 -0.000 0.000 0.261 64 E C -1.921 174.696 176.600 0.029 0.000 1.070 64 E CA -0.988 55.425 56.400 0.023 0.000 0.931 64 E CB 0.158 29.865 29.700 0.010 0.000 0.954 64 E HN 0.188 nan 8.360 nan 0.000 0.439 65 P HA 0.073 nan 4.420 nan 0.000 0.275 65 P C -0.663 176.640 177.300 0.006 0.000 1.227 65 P CA 0.029 63.126 63.100 -0.006 0.000 0.781 65 P CB 0.979 32.653 31.700 -0.043 0.000 0.906 66 K N 0.487 120.885 120.400 -0.003 0.000 2.380 66 K HA 0.299 4.619 4.320 -0.000 0.000 0.198 66 K C 0.274 176.864 176.600 -0.017 0.000 1.070 66 K CA -0.026 56.258 56.287 -0.006 0.000 1.040 66 K CB 1.064 33.564 32.500 -0.001 0.000 0.903 66 K HN 0.245 nan 8.250 nan 0.000 0.549 67 V N 0.005 119.904 119.914 -0.024 0.000 3.120 67 V HA 0.547 4.666 4.120 -0.000 0.000 0.303 67 V C -0.908 175.163 176.094 -0.038 0.000 1.238 67 V CA -0.829 61.453 62.300 -0.029 0.000 1.008 67 V CB 1.759 33.569 31.823 -0.022 0.000 1.064 67 V HN 0.231 nan 8.190 nan 0.000 0.434 68 G N 3.190 111.963 108.800 -0.045 0.000 2.636 68 G HA2 0.356 4.316 3.960 -0.000 0.000 0.246 68 G HA3 0.356 4.316 3.960 -0.000 0.000 0.246 68 G C 0.847 175.723 174.900 -0.040 0.000 1.216 68 G CA -0.070 44.999 45.100 -0.052 0.000 0.854 68 G HN 0.868 nan 8.290 nan 0.000 0.572 69 I N 0.259 120.805 120.570 -0.040 0.000 2.286 69 I HA -0.226 3.943 4.170 -0.000 0.000 0.248 69 I C 2.687 178.790 176.117 -0.022 0.000 1.115 69 I CA 1.494 62.776 61.300 -0.030 0.000 1.392 69 I CB -0.141 37.841 38.000 -0.030 0.000 1.065 69 I HN 0.634 nan 8.210 nan 0.000 0.418 70 C N -0.110 119.177 119.300 -0.022 0.000 2.576 70 C HA 0.485 4.945 4.460 -0.000 0.000 0.267 70 C C 1.772 176.753 174.990 -0.015 0.000 1.364 70 C CA -0.114 58.896 59.018 -0.014 0.000 1.723 70 C CB -0.956 26.777 27.740 -0.010 0.000 1.778 70 C HN 0.720 nan 8.230 nan 0.000 0.572 71 G N 0.097 108.886 108.800 -0.020 0.000 2.179 71 G HA2 0.132 4.091 3.960 -0.000 0.000 0.220 71 G HA3 0.132 4.091 3.960 -0.000 0.000 0.220 71 G C 0.213 175.099 174.900 -0.023 0.000 0.990 71 G CA 0.115 45.204 45.100 -0.019 0.000 0.646 71 G HN 1.496 nan 8.290 nan 0.000 0.517 72 A N 1.202 124.004 122.820 -0.031 0.000 2.524 72 A HA 0.610 4.930 4.320 -0.000 0.000 0.250 72 A C 1.147 178.707 177.584 -0.040 0.000 1.078 72 A CA 1.328 53.342 52.037 -0.038 0.000 0.761 72 A CB -0.004 18.963 19.000 -0.055 0.000 1.012 72 A HN 1.774 nan 8.150 nan 0.000 0.500 73 T N -0.090 114.443 114.554 -0.035 0.000 2.788 73 T HA 0.507 4.856 4.350 -0.000 0.000 0.280 73 T C 1.467 176.142 174.700 -0.042 0.000 0.984 73 T CA -0.063 62.016 62.100 -0.034 0.000 0.972 73 T CB 1.017 69.869 68.868 -0.026 0.000 1.039 73 T HN 1.180 nan 8.240 nan 0.000 0.530 74 A N 0.655 123.450 122.820 -0.043 0.000 1.908 74 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 74 A C 2.318 179.874 177.584 -0.046 0.000 1.181 74 A CA 1.910 53.917 52.037 -0.049 0.000 0.627 74 A CB -1.106 17.859 19.000 -0.059 0.000 0.818 74 A HN 1.021 nan 8.150 nan 0.000 0.445 75 E N -0.322 119.855 120.200 -0.038 0.000 2.107 75 E HA -0.089 4.260 4.350 -0.000 0.000 0.191 75 E C 1.759 178.341 176.600 -0.030 0.000 0.982 75 E CA 1.355 57.736 56.400 -0.031 0.000 0.809 75 E CB -0.542 29.145 29.700 -0.022 0.000 0.756 75 E HN 0.298 nan 8.360 nan 0.000 0.459 76 V N 1.939 121.833 119.914 -0.033 0.000 2.261 76 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 76 V C 2.509 178.571 176.094 -0.054 0.000 1.047 76 V CA 1.710 63.988 62.300 -0.035 0.000 1.015 76 V CB -0.438 31.365 31.823 -0.034 0.000 0.642 76 V HN 0.274 nan 8.190 nan 0.000 0.446 77 I N -0.398 120.128 120.570 -0.072 0.000 2.163 77 I HA -0.225 3.945 4.170 -0.000 0.000 0.243 77 I C 2.396 178.463 176.117 -0.084 0.000 1.085 77 I CA 1.326 62.561 61.300 -0.108 0.000 1.347 77 I CB -0.395 37.541 38.000 -0.107 0.000 1.044 77 I HN 0.146 nan 8.210 nan 0.000 0.408 78 V N 0.947 120.827 119.914 -0.058 0.000 2.343 78 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 78 V C 2.659 178.733 176.094 -0.033 0.000 1.051 78 V CA 2.044 64.316 62.300 -0.046 0.000 1.036 78 V CB -0.907 30.889 31.823 -0.045 0.000 0.654 78 V HN 0.504 nan 8.190 nan 0.000 0.451 79 A N -0.316 122.489 122.820 -0.026 0.000 1.930 79 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 79 A C 2.370 179.958 177.584 0.006 0.000 1.175 79 A CA 1.454 53.486 52.037 -0.008 0.000 0.627 79 A CB -0.422 18.576 19.000 -0.003 0.000 0.815 79 A HN 0.501 nan 8.150 nan 0.000 0.443 80 R N -0.883 119.618 120.500 0.002 0.000 2.075 80 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 80 R C 2.410 178.764 176.300 0.090 0.000 1.126 80 R CA 1.128 57.258 56.100 0.050 0.000 0.963 80 R CB -0.604 29.714 30.300 0.029 0.000 0.858 80 R HN 0.519 nan 8.270 nan 0.000 0.435 81 G N 1.497 110.319 108.800 0.036 0.000 2.418 81 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.217 81 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.217 81 G C 1.369 176.291 174.900 0.036 0.000 1.158 81 G CA 0.327 45.464 45.100 0.062 0.000 0.771 81 G HN 0.172 nan 8.290 nan 0.000 0.545 82 L N 0.974 122.203 121.223 0.010 0.000 2.046 82 L HA -0.020 4.319 4.340 -0.000 0.000 0.208 82 L C 2.075 178.958 176.870 0.022 0.000 1.077 82 L CA 2.245 57.084 54.840 -0.001 0.000 0.747 82 L CB -0.594 41.455 42.059 -0.018 0.000 0.896 82 L HN 0.068 nan 8.230 nan 0.000 0.432 83 D N -0.431 119.990 120.400 0.036 0.000 2.123 83 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 83 D C 2.340 178.666 176.300 0.043 0.000 0.992 83 D CA 1.200 55.226 54.000 0.044 0.000 0.833 83 D CB -0.095 40.732 40.800 0.044 0.000 0.954 83 D HN 0.362 nan 8.370 nan 0.000 0.455 84 R N 0.245 120.773 120.500 0.047 0.000 2.120 84 R HA -0.009 4.330 4.340 -0.000 0.000 0.234 84 R C 2.348 178.658 176.300 0.017 0.000 1.123 84 R CA 0.869 56.986 56.100 0.027 0.000 0.975 84 R CB -0.130 30.184 30.300 0.024 0.000 0.866 84 R HN 0.058 nan 8.270 nan 0.000 0.446 85 S N 1.126 116.835 115.700 0.016 0.000 2.368 85 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 85 S C 1.967 176.582 174.600 0.026 0.000 1.030 85 S CA 1.097 59.299 58.200 0.003 0.000 0.999 85 S CB -0.143 63.050 63.200 -0.011 0.000 0.844 85 S HN 0.222 nan 8.310 nan 0.000 0.459 86 I N 1.662 122.259 120.570 0.045 0.000 2.226 86 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 86 I C 2.697 178.863 176.117 0.082 0.000 1.100 86 I CA 1.112 62.459 61.300 0.079 0.000 1.374 86 I CB -0.489 37.566 38.000 0.091 0.000 1.057 86 I HN 0.264 nan 8.210 nan 0.000 0.413 87 A N 0.732 123.588 122.820 0.059 0.000 1.933 87 A HA -0.153 4.166 4.320 -0.000 0.000 0.218 87 A C 2.540 180.151 177.584 0.045 0.000 1.175 87 A CA 1.829 53.898 52.037 0.053 0.000 0.628 87 A CB -0.804 18.216 19.000 0.034 0.000 0.814 87 A HN 0.432 nan 8.150 nan 0.000 0.444 88 A N -0.463 122.373 122.820 0.028 0.000 1.902 88 A HA 0.132 4.451 4.320 -0.000 0.000 0.217 88 A C 2.410 180.012 177.584 0.030 0.000 1.181 88 A CA 1.916 53.961 52.037 0.015 0.000 0.623 88 A CB -1.366 17.627 19.000 -0.012 0.000 0.818 88 A HN 0.707 nan 8.150 nan 0.000 0.443 89 G N -0.484 108.347 108.800 0.051 0.000 2.421 89 G HA2 0.005 3.965 3.960 -0.000 0.000 0.216 89 G HA3 0.005 3.965 3.960 -0.000 0.000 0.216 89 G C 1.761 176.685 174.900 0.040 0.000 1.171 89 G CA 1.444 46.572 45.100 0.046 0.000 0.775 89 G HN 0.810 nan 8.290 nan 0.000 0.543 90 A N 1.160 124.055 122.820 0.125 0.000 1.940 90 A HA 0.214 4.534 4.320 -0.000 0.000 0.219 90 A C 2.791 180.446 177.584 0.119 0.000 1.176 90 A CA 2.307 54.443 52.037 0.164 0.000 0.631 90 A CB -0.722 18.363 19.000 0.142 0.000 0.814 90 A HN 0.807 nan 8.150 nan 0.000 0.446 91 A N -0.597 122.265 122.820 0.070 0.000 1.930 91 A HA 0.162 4.481 4.320 -0.000 0.000 0.217 91 A C 2.364 179.955 177.584 0.012 0.000 1.175 91 A CA 1.835 53.904 52.037 0.053 0.000 0.627 91 A CB -1.232 17.782 19.000 0.024 0.000 0.815 91 A HN 0.680 nan 8.150 nan 0.000 0.443 92 G N -1.135 107.633 108.800 -0.053 0.000 2.404 92 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.215 92 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.215 92 G C 1.395 176.251 174.900 -0.073 0.000 1.174 92 G CA 1.133 46.150 45.100 -0.140 0.000 0.780 92 G HN 0.746 nan 8.290 nan 0.000 0.537 93 H N 0.426 119.526 119.070 0.050 0.000 2.423 93 H HA -0.020 4.536 4.556 -0.000 0.000 0.297 93 H C 2.878 178.274 175.328 0.114 0.000 1.075 93 H CA 1.248 57.328 56.048 0.052 0.000 1.342 93 H CB 0.321 30.113 29.762 0.051 0.000 1.395 93 H HN 0.540 nan 8.280 nan 0.000 0.530 94 S N -0.474 115.380 115.700 0.256 0.000 2.478 94 S HA 0.007 4.476 4.470 -0.000 0.000 0.222 94 S C 2.348 177.131 174.600 0.306 0.000 1.008 94 S CA 0.376 58.787 58.200 0.351 0.000 0.928 94 S CB -0.180 63.271 63.200 0.418 0.000 0.781 94 S HN 0.449 nan 8.310 nan 0.000 0.518 95 G N 1.503 110.387 108.800 0.140 0.000 2.440 95 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.218 95 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.218 95 G C 1.233 176.213 174.900 0.134 0.000 1.154 95 G CA 1.096 46.207 45.100 0.018 0.000 0.767 95 G HN 0.757 nan 8.290 nan 0.000 0.552 96 H N 0.667 119.800 119.070 0.105 0.000 2.290 96 H HA 0.036 4.591 4.556 -0.001 0.000 0.298 96 H C 2.759 178.235 175.328 0.247 0.000 1.087 96 H CA 1.629 57.852 56.048 0.292 0.000 1.291 96 H CB -0.048 29.910 29.762 0.326 0.000 1.369 96 H HN 0.321 nan 8.280 nan 0.000 0.492 97 A N 0.873 123.954 122.820 0.435 0.000 1.898 97 A HA -0.152 4.167 4.320 -0.000 0.000 0.216 97 A C 2.317 180.022 177.584 0.202 0.000 1.181 97 A CA 1.556 53.768 52.037 0.291 0.000 0.620 97 A CB -0.564 18.552 19.000 0.193 0.000 0.819 97 A HN 0.504 nan 8.150 nan 0.000 0.442 98 K N -1.246 119.248 120.400 0.158 0.000 2.103 98 K HA -0.260 4.060 4.320 -0.000 0.000 0.207 98 K C 2.103 178.763 176.600 0.099 0.000 1.048 98 K CA 1.622 57.851 56.287 -0.097 0.000 0.930 98 K CB -0.301 31.990 32.500 -0.349 0.000 0.716 98 K HN 0.612 nan 8.250 nan 0.000 0.444 99 H N 1.060 120.188 119.070 0.096 0.000 2.319 99 H HA -0.103 4.452 4.556 -0.000 0.000 0.299 99 H C 1.903 177.288 175.328 0.095 0.000 1.092 99 H CA 1.806 57.935 56.048 0.136 0.000 1.302 99 H CB -0.378 29.489 29.762 0.176 0.000 1.373 99 H HN 0.153 nan 8.280 nan 0.000 0.497 100 L N -0.308 120.990 121.223 0.124 0.000 2.093 100 L HA -0.117 4.222 4.340 -0.000 0.000 0.208 100 L C 2.924 179.791 176.870 -0.006 0.000 1.085 100 L CA 1.049 55.899 54.840 0.017 0.000 0.755 100 L CB -0.585 41.515 42.059 0.069 0.000 0.904 100 L HN 0.330 nan 8.230 nan 0.000 0.435 101 A N -0.846 121.957 122.820 -0.029 0.000 1.877 101 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 101 A C 2.151 179.672 177.584 -0.105 0.000 1.186 101 A CA 1.515 53.486 52.037 -0.109 0.000 0.620 101 A CB -0.769 18.116 19.000 -0.192 0.000 0.822 101 A HN 0.421 nan 8.150 nan 0.000 0.443 102 H N -0.389 118.679 119.070 -0.003 0.000 2.389 102 H HA -0.071 4.485 4.556 -0.001 0.000 0.299 102 H C 2.289 177.602 175.328 -0.025 0.000 1.081 102 H CA 1.835 57.879 56.048 -0.006 0.000 1.345 102 H CB -0.576 29.189 29.762 0.004 0.000 1.393 102 H HN 0.469 nan 8.280 nan 0.000 0.520 103 T N 1.721 116.308 114.554 0.056 0.000 2.737 103 T HA -0.116 4.233 4.350 -0.000 0.000 0.265 103 T C 2.228 176.856 174.700 -0.120 0.000 1.038 103 T CA 0.923 62.952 62.100 -0.118 0.000 1.144 103 T CB -0.444 68.254 68.868 -0.283 0.000 0.866 103 T HN 0.084 nan 8.240 nan 0.000 0.434 104 L N 1.470 122.640 121.223 -0.088 0.000 2.012 104 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 104 L C 2.343 179.203 176.870 -0.016 0.000 1.073 104 L CA 1.909 56.714 54.840 -0.059 0.000 0.748 104 L CB -0.582 41.448 42.059 -0.047 0.000 0.891 104 L HN 0.102 nan 8.230 nan 0.000 0.431 105 K N -0.484 119.916 120.400 -0.001 0.000 2.009 105 K HA -0.248 4.072 4.320 -0.000 0.000 0.210 105 K C 2.180 178.798 176.600 0.030 0.000 1.049 105 K CA 2.004 58.305 56.287 0.023 0.000 0.929 105 K CB -0.112 32.413 32.500 0.041 0.000 0.714 105 K HN 0.306 nan 8.250 nan 0.000 0.440 106 K N -0.083 120.336 120.400 0.032 0.000 2.032 106 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 106 K C 2.171 178.795 176.600 0.038 0.000 1.048 106 K CA 1.389 57.695 56.287 0.032 0.000 0.927 106 K CB -0.230 32.284 32.500 0.023 0.000 0.712 106 K HN 0.240 nan 8.250 nan 0.000 0.441 107 A N 1.179 124.020 122.820 0.036 0.000 1.883 107 A HA -0.163 4.156 4.320 -0.000 0.000 0.217 107 A C 2.347 179.962 177.584 0.051 0.000 1.186 107 A CA 2.176 54.255 52.037 0.070 0.000 0.624 107 A CB -0.863 18.184 19.000 0.078 0.000 0.822 107 A HN 0.238 nan 8.150 nan 0.000 0.444 108 V N -3.096 116.839 119.914 0.035 0.000 3.306 108 V HA -0.051 4.069 4.120 -0.000 0.000 0.264 108 V C 1.628 177.739 176.094 0.029 0.000 1.149 108 V CA 1.625 63.943 62.300 0.031 0.000 1.143 108 V CB -0.831 31.007 31.823 0.025 0.000 0.767 108 V HN 0.576 nan 8.190 nan 0.000 0.476 109 Q N 1.144 120.962 119.800 0.030 0.000 2.444 109 Q HA 0.314 4.654 4.340 -0.000 0.000 0.206 109 Q C 1.662 177.678 176.000 0.028 0.000 0.948 109 Q CA 0.535 56.355 55.803 0.028 0.000 0.946 109 Q CB 0.249 29.004 28.738 0.028 0.000 1.027 109 Q HN 0.916 nan 8.270 nan 0.000 0.513 110 G N 1.436 110.256 108.800 0.033 0.000 2.143 110 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.248 110 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.248 110 G C 0.558 175.478 174.900 0.033 0.000 0.991 110 G CA 0.482 45.601 45.100 0.032 0.000 0.689 110 G HN 0.343 nan 8.290 nan 0.000 0.522 111 K N -0.252 120.171 120.400 0.038 0.000 2.358 111 K HA 0.574 4.894 4.320 -0.000 0.000 0.197 111 K C 0.799 177.430 176.600 0.052 0.000 1.025 111 K CA 0.655 56.963 56.287 0.035 0.000 1.104 111 K CB 0.944 33.461 32.500 0.027 0.000 0.855 111 K HN 0.884 nan 8.250 nan 0.000 0.531 112 A N 0.654 123.524 122.820 0.083 0.000 3.044 112 A HA 0.485 4.805 4.320 -0.000 0.000 0.289 112 A C 0.398 178.091 177.584 0.180 0.000 1.236 112 A CA -0.481 51.647 52.037 0.151 0.000 0.871 112 A CB 0.316 19.434 19.000 0.197 0.000 1.424 112 A HN 0.120 nan 8.150 nan 0.000 0.564 113 A N 0.140 123.016 122.820 0.092 0.000 2.178 113 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 113 A C 1.913 179.506 177.584 0.015 0.000 1.157 113 A CA 2.061 54.129 52.037 0.053 0.000 0.689 113 A CB -0.282 18.732 19.000 0.022 0.000 0.787 113 A HN 0.842 nan 8.150 nan 0.000 0.465 114 S N -1.428 114.254 115.700 -0.030 0.000 2.515 114 S HA 0.094 4.563 4.470 -0.000 0.000 0.231 114 S C -0.071 174.295 174.600 -0.390 0.000 0.987 114 S CA 0.454 58.514 58.200 -0.233 0.000 0.936 114 S CB -0.285 62.664 63.200 -0.419 0.000 0.766 114 S HN 0.624 nan 8.310 nan 0.000 0.528 115 Y N 0.919 121.253 120.300 0.057 0.000 2.509 115 Y HA 0.719 5.268 4.550 -0.000 0.000 0.341 115 Y C 0.090 175.990 175.900 -0.000 0.000 1.038 115 Y CA -1.271 56.853 58.100 0.040 0.000 1.089 115 Y CB 1.164 39.642 38.460 0.030 0.000 1.241 115 Y HN 0.031 nan 8.280 nan 0.000 0.468 116 M N 0.410 120.082 119.600 0.120 0.000 2.833 116 M HA 0.553 5.032 4.480 -0.000 0.000 0.270 116 M C -2.065 174.240 176.300 0.008 0.000 1.209 116 M CA -0.852 54.480 55.300 0.054 0.000 0.826 116 M CB 1.834 34.458 32.600 0.040 0.000 1.657 116 M HN 0.501 nan 8.290 nan 0.000 0.492 117 I N 2.538 123.116 120.570 0.014 0.000 2.389 117 I HA 0.124 4.294 4.170 -0.000 0.000 0.295 117 I C 0.869 176.994 176.117 0.013 0.000 1.117 117 I CA 0.025 61.329 61.300 0.008 0.000 1.317 117 I CB 0.375 38.394 38.000 0.031 0.000 1.431 117 I HN 0.698 nan 8.210 nan 0.000 0.521 118 K N 2.949 123.350 120.400 0.001 0.000 2.168 118 K HA 0.016 4.336 4.320 -0.000 0.000 0.201 118 K C 0.416 177.031 176.600 0.026 0.000 1.049 118 K CA 0.598 56.899 56.287 0.023 0.000 0.974 118 K CB 0.227 32.753 32.500 0.044 0.000 0.792 118 K HN 0.472 nan 8.250 nan 0.000 0.463 119 D N 1.252 121.666 120.400 0.024 0.000 2.493 119 D HA 0.054 4.694 4.640 -0.000 0.000 0.235 119 D C 0.645 176.973 176.300 0.047 0.000 1.117 119 D CA -0.091 53.928 54.000 0.032 0.000 0.930 119 D CB 0.735 41.556 40.800 0.035 0.000 1.010 119 D HN 0.011 nan 8.370 nan 0.000 0.514 120 R N 1.831 122.354 120.500 0.039 0.000 2.092 120 R HA -0.096 4.244 4.340 -0.000 0.000 0.231 120 R C 1.096 177.432 176.300 0.059 0.000 1.119 120 R CA 1.335 57.475 56.100 0.066 0.000 0.970 120 R CB 0.135 30.444 30.300 0.014 0.000 0.864 120 R HN 0.203 nan 8.270 nan 0.000 0.440 121 T N 1.079 115.635 114.554 0.002 0.000 2.708 121 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 121 T C 1.658 176.399 174.700 0.068 0.000 1.037 121 T CA 1.841 63.941 62.100 -0.001 0.000 1.146 121 T CB -0.167 68.696 68.868 -0.009 0.000 0.865 121 T HN 0.266 nan 8.240 nan 0.000 0.435 122 K N 0.803 121.245 120.400 0.070 0.000 2.057 122 K HA -0.047 4.272 4.320 -0.000 0.000 0.207 122 K C 2.131 178.797 176.600 0.110 0.000 1.049 122 K CA 0.869 57.206 56.287 0.084 0.000 0.931 122 K CB -0.584 31.960 32.500 0.073 0.000 0.714 122 K HN 0.184 nan 8.250 nan 0.000 0.440 123 L N 0.864 122.164 121.223 0.128 0.000 1.990 123 L HA -0.244 4.095 4.340 -0.000 0.000 0.213 123 L C 2.042 178.981 176.870 0.116 0.000 1.072 123 L CA 2.025 56.941 54.840 0.128 0.000 0.755 123 L CB -0.761 41.384 42.059 0.144 0.000 0.889 123 L HN 0.398 nan 8.230 nan 0.000 0.432 124 H N -0.992 118.090 119.070 0.019 0.000 2.387 124 H HA -0.098 4.457 4.556 -0.000 0.000 0.299 124 H C 2.372 177.701 175.328 0.002 0.000 1.090 124 H CA 1.538 57.592 56.048 0.009 0.000 1.332 124 H CB -0.026 29.740 29.762 0.007 0.000 1.386 124 H HN 0.612 nan 8.280 nan 0.000 0.516 125 S N 0.758 116.535 115.700 0.129 0.000 2.383 125 S HA -0.100 4.370 4.470 -0.000 0.000 0.227 125 S C 2.204 176.815 174.600 0.018 0.000 1.026 125 S CA 0.791 59.027 58.200 0.060 0.000 0.981 125 S CB -0.640 62.595 63.200 0.058 0.000 0.818 125 S HN 0.266 nan 8.310 nan 0.000 0.472 126 I N 2.455 123.043 120.570 0.031 0.000 2.252 126 I HA -0.117 4.052 4.170 -0.000 0.000 0.245 126 I C 3.098 179.170 176.117 -0.075 0.000 1.102 126 I CA 1.091 62.385 61.300 -0.010 0.000 1.385 126 I CB -0.699 37.351 38.000 0.083 0.000 1.064 126 I HN 0.415 nan 8.210 nan 0.000 0.414 127 A N 0.680 123.472 122.820 -0.047 0.000 1.883 127 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 127 A C 2.391 179.918 177.584 -0.094 0.000 1.186 127 A CA 2.072 54.060 52.037 -0.082 0.000 0.624 127 A CB -0.607 18.326 19.000 -0.112 0.000 0.822 127 A HN 0.340 nan 8.150 nan 0.000 0.444 128 K N -0.698 119.662 120.400 -0.067 0.000 2.097 128 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 128 K C 2.333 178.878 176.600 -0.092 0.000 1.049 128 K CA 1.408 57.658 56.287 -0.062 0.000 0.933 128 K CB -0.167 32.318 32.500 -0.026 0.000 0.717 128 K HN 0.453 nan 8.250 nan 0.000 0.442 129 R N 0.486 120.915 120.500 -0.118 0.000 2.120 129 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 129 R C 1.886 178.050 176.300 -0.227 0.000 1.123 129 R CA 1.077 57.076 56.100 -0.168 0.000 0.975 129 R CB -0.046 30.134 30.300 -0.201 0.000 0.866 129 R HN 0.222 nan 8.270 nan 0.000 0.446 130 L N -0.708 120.366 121.223 -0.247 0.000 2.558 130 L HA 0.177 4.517 4.340 -0.000 0.000 0.225 130 L C 1.124 177.891 176.870 -0.172 0.000 1.128 130 L CA 0.575 55.250 54.840 -0.275 0.000 0.868 130 L CB 0.352 42.227 42.059 -0.306 0.000 1.006 130 L HN 0.561 nan 8.230 nan 0.000 0.454 131 G N 0.893 109.615 108.800 -0.131 0.000 2.136 131 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.242 131 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.242 131 G C 0.152 175.007 174.900 -0.075 0.000 0.989 131 G CA -0.297 44.748 45.100 -0.092 0.000 0.682 131 G HN 0.273 nan 8.290 nan 0.000 0.522 132 I N 1.999 122.521 120.570 -0.079 0.000 2.337 132 I HA 0.265 4.435 4.170 -0.000 0.000 0.291 132 I C -1.682 174.397 176.117 -0.064 0.000 1.046 132 I CA -2.135 59.126 61.300 -0.064 0.000 1.324 132 I CB 1.099 39.061 38.000 -0.064 0.000 1.409 132 I HN -0.121 nan 8.210 nan 0.000 0.494 133 P HA 0.020 nan 4.420 nan 0.000 0.266 133 P C 0.577 177.840 177.300 -0.063 0.000 1.195 133 P CA 0.075 63.148 63.100 -0.045 0.000 0.768 133 P CB 0.633 32.314 31.700 -0.031 0.000 0.838 134 T N -2.070 112.450 114.554 -0.057 0.000 2.964 134 T HA 0.026 4.376 4.350 -0.000 0.000 0.249 134 T C 0.450 175.146 174.700 -0.007 0.000 1.000 134 T CA -0.281 61.769 62.100 -0.084 0.000 0.992 134 T CB -0.207 68.589 68.868 -0.119 0.000 1.087 134 T HN 0.392 nan 8.240 nan 0.000 0.489 135 E N 2.569 122.776 120.200 0.012 0.000 2.417 135 E HA 0.326 4.676 4.350 -0.000 0.000 0.261 135 E C 1.173 177.786 176.600 0.020 0.000 1.000 135 E CA 0.440 56.857 56.400 0.028 0.000 0.919 135 E CB 0.027 29.739 29.700 0.019 0.000 0.955 135 E HN 0.580 nan 8.360 nan 0.000 0.455 136 G N 3.012 111.830 108.800 0.030 0.000 2.166 136 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 136 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 136 G C 0.027 174.940 174.900 0.021 0.000 0.986 136 G CA 0.415 45.530 45.100 0.024 0.000 0.683 136 G HN 0.547 nan 8.290 nan 0.000 0.527 137 Q N 0.069 119.881 119.800 0.020 0.000 2.230 137 Q HA 0.459 4.798 4.340 -0.000 0.000 0.248 137 Q C 0.490 176.504 176.000 0.024 0.000 0.915 137 Q CA -0.354 55.453 55.803 0.008 0.000 0.900 137 Q CB 1.170 29.894 28.738 -0.022 0.000 1.229 137 Q HN 0.442 nan 8.270 nan 0.000 0.439 138 K N 1.423 121.835 120.400 0.019 0.000 2.382 138 K HA -0.006 4.314 4.320 -0.000 0.000 0.275 138 K C 0.508 177.127 176.600 0.032 0.000 1.009 138 K CA -0.287 56.019 56.287 0.031 0.000 0.970 138 K CB 0.563 33.077 32.500 0.023 0.000 0.934 138 K HN 0.401 nan 8.250 nan 0.000 0.479 139 D N 2.527 122.965 120.400 0.064 0.000 2.149 139 D HA -0.157 4.483 4.640 -0.000 0.000 0.198 139 D C 1.244 177.564 176.300 0.033 0.000 0.990 139 D CA 1.541 55.587 54.000 0.077 0.000 0.839 139 D CB 0.211 41.083 40.800 0.119 0.000 0.948 139 D HN 0.508 nan 8.370 nan 0.000 0.460 140 E N 0.538 120.757 120.200 0.031 0.000 2.106 140 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 140 E C 1.593 178.201 176.600 0.013 0.000 0.984 140 E CA 0.847 57.261 56.400 0.023 0.000 0.806 140 E CB -0.024 29.691 29.700 0.024 0.000 0.750 140 E HN 0.252 nan 8.360 nan 0.000 0.458 141 D N 0.012 120.416 120.400 0.007 0.000 2.123 141 D HA -0.076 4.564 4.640 -0.000 0.000 0.200 141 D C 1.959 178.250 176.300 -0.014 0.000 0.976 141 D CA 0.713 54.712 54.000 -0.000 0.000 0.831 141 D CB -0.115 40.684 40.800 -0.001 0.000 0.974 141 D HN 0.204 nan 8.370 nan 0.000 0.469 142 I N 1.320 121.868 120.570 -0.037 0.000 2.179 142 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 142 I C 2.490 178.585 176.117 -0.036 0.000 1.088 142 I CA 1.117 62.374 61.300 -0.073 0.000 1.357 142 I CB -0.251 37.642 38.000 -0.179 0.000 1.051 142 I HN -0.081 nan 8.210 nan 0.000 0.409 143 A N 0.578 123.390 122.820 -0.014 0.000 1.933 143 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 143 A C 2.251 179.846 177.584 0.020 0.000 1.175 143 A CA 1.383 53.427 52.037 0.012 0.000 0.628 143 A CB -0.729 18.282 19.000 0.018 0.000 0.814 143 A HN 0.383 nan 8.150 nan 0.000 0.444 144 L N -0.238 120.994 121.223 0.015 0.000 2.046 144 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 144 L C 2.139 179.025 176.870 0.028 0.000 1.077 144 L CA 2.145 56.998 54.840 0.021 0.000 0.747 144 L CB -0.475 41.596 42.059 0.019 0.000 0.896 144 L HN 0.328 nan 8.230 nan 0.000 0.432 145 E N -0.727 119.486 120.200 0.020 0.000 2.106 145 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 145 E C 2.342 178.975 176.600 0.054 0.000 0.984 145 E CA 1.276 57.692 56.400 0.027 0.000 0.806 145 E CB -0.417 29.285 29.700 0.004 0.000 0.750 145 E HN 0.406 nan 8.360 nan 0.000 0.458 146 V N 1.482 121.434 119.914 0.064 0.000 2.358 146 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 146 V C 2.394 178.588 176.094 0.166 0.000 1.047 146 V CA 1.680 64.065 62.300 0.141 0.000 1.035 146 V CB -0.749 31.153 31.823 0.132 0.000 0.658 146 V HN 0.228 nan 8.190 nan 0.000 0.452 147 A N -0.409 122.461 122.820 0.084 0.000 1.930 147 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 147 A C 2.291 179.896 177.584 0.036 0.000 1.175 147 A CA 1.698 53.758 52.037 0.037 0.000 0.627 147 A CB -0.379 18.623 19.000 0.004 0.000 0.815 147 A HN 0.523 nan 8.150 nan 0.000 0.443 148 K N -0.331 120.103 120.400 0.056 0.000 2.097 148 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 148 K C 2.284 178.944 176.600 0.099 0.000 1.049 148 K CA 1.081 57.407 56.287 0.065 0.000 0.933 148 K CB -0.286 32.249 32.500 0.060 0.000 0.717 148 K HN 0.446 nan 8.250 nan 0.000 0.442 149 A N 1.502 124.406 122.820 0.140 0.000 1.930 149 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 149 A C 2.360 180.126 177.584 0.303 0.000 1.175 149 A CA 1.674 53.834 52.037 0.205 0.000 0.627 149 A CB -0.567 18.565 19.000 0.220 0.000 0.815 149 A HN 0.319 nan 8.150 nan 0.000 0.443 150 A N -0.070 122.891 122.820 0.236 0.000 1.883 150 A HA -0.083 4.236 4.320 -0.000 0.000 0.217 150 A C 2.149 179.790 177.584 0.096 0.000 1.186 150 A CA 1.598 53.580 52.037 -0.093 0.000 0.624 150 A CB -0.658 18.175 19.000 -0.279 0.000 0.822 150 A HN 0.469 nan 8.150 nan 0.000 0.444 151 L N -0.889 120.399 121.223 0.110 0.000 2.141 151 L HA -0.130 4.209 4.340 -0.000 0.000 0.209 151 L C 2.984 179.991 176.870 0.230 0.000 1.094 151 L CA 0.807 55.760 54.840 0.187 0.000 0.763 151 L CB -0.436 41.619 42.059 -0.006 0.000 0.908 151 L HN 0.439 nan 8.230 nan 0.000 0.437 152 A N -0.549 122.321 122.820 0.083 0.000 2.015 152 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 152 A C 1.782 179.142 177.584 -0.373 0.000 1.163 152 A CA 1.602 53.533 52.037 -0.177 0.000 0.646 152 A CB -0.390 18.585 19.000 -0.041 0.000 0.806 152 A HN 0.282 nan 8.150 nan 0.000 0.448 153 D N -1.200 119.120 120.400 -0.133 0.000 2.378 153 D HA -0.015 4.625 4.640 -0.000 0.000 0.222 153 D C 0.937 177.031 176.300 -0.342 0.000 0.980 153 D CA 0.619 54.493 54.000 -0.209 0.000 0.907 153 D CB -0.301 40.418 40.800 -0.136 0.000 0.899 153 D HN 0.540 nan 8.370 nan 0.000 0.527 154 F N -0.435 119.425 119.950 -0.150 0.000 2.615 154 F HA 0.056 4.582 4.527 -0.001 0.000 0.297 154 F C 0.966 176.795 175.800 0.048 0.000 1.124 154 F CA 0.284 58.270 58.000 -0.024 0.000 1.451 154 F CB 0.030 39.053 39.000 0.039 0.000 1.103 154 F HN 0.046 nan 8.300 nan 0.000 0.569 155 H N -2.970 116.199 119.070 0.164 0.000 2.907 155 H HA 0.506 5.061 4.556 -0.000 0.000 0.361 155 H C -0.671 174.669 175.328 0.020 0.000 1.194 155 H CA -1.569 54.545 56.048 0.111 0.000 1.152 155 H CB 0.206 30.035 29.762 0.112 0.000 1.867 155 H HN -0.084 nan 8.280 nan 0.000 0.561 156 E N 0.745 121.030 120.200 0.142 0.000 2.415 156 E HA 0.225 4.574 4.350 -0.000 0.000 0.262 156 E C -0.304 176.384 176.600 0.146 0.000 1.038 156 E CA 0.031 56.428 56.400 -0.005 0.000 0.921 156 E CB 0.688 30.304 29.700 -0.140 0.000 0.950 156 E HN 0.728 nan 8.360 nan 0.000 0.438 157 K N 0.683 121.106 120.400 0.038 0.000 2.412 157 K HA 0.251 4.571 4.320 -0.000 0.000 0.267 157 K C -0.696 175.909 176.600 0.009 0.000 0.923 157 K CA -0.842 55.482 56.287 0.061 0.000 0.747 157 K CB 0.307 32.846 32.500 0.066 0.000 1.450 157 K HN 0.061 nan 8.250 nan 0.000 0.346 158 D N 0.949 121.354 120.400 0.008 0.000 2.340 158 D HA 0.039 4.679 4.640 -0.000 0.000 0.220 158 D C -0.120 176.169 176.300 -0.019 0.000 1.039 158 D CA 0.769 54.766 54.000 -0.005 0.000 0.866 158 D CB 0.303 41.102 40.800 -0.001 0.000 0.913 158 D HN 0.596 nan 8.370 nan 0.000 0.523 159 T N -1.898 112.640 114.554 -0.027 0.000 2.924 159 T HA 0.570 4.920 4.350 -0.000 0.000 0.291 159 T C -2.754 171.917 174.700 -0.048 0.000 1.045 159 T CA -1.815 60.261 62.100 -0.040 0.000 1.015 159 T CB 2.919 71.759 68.868 -0.047 0.000 1.103 159 T HN -0.279 nan 8.240 nan 0.000 0.496 160 P HA 0.260 nan 4.420 nan 0.000 0.286 160 P C -0.269 176.994 177.300 -0.062 0.000 1.293 160 P CA -0.542 62.526 63.100 -0.054 0.000 0.770 160 P CB 0.352 32.023 31.700 -0.048 0.000 1.206 161 V N 1.606 121.484 119.914 -0.059 0.000 2.425 161 V HA -0.056 4.063 4.120 -0.000 0.000 0.276 161 V C 2.012 178.073 176.094 -0.056 0.000 1.017 161 V CA 0.494 62.760 62.300 -0.057 0.000 1.062 161 V CB -0.682 31.101 31.823 -0.066 0.000 0.997 161 V HN 0.394 nan 8.190 nan 0.000 0.476 162 L N 4.451 125.645 121.223 -0.047 0.000 2.217 162 L HA -0.053 4.286 4.340 -0.000 0.000 0.211 162 L C 1.847 178.578 176.870 -0.231 0.000 1.107 162 L CA 1.240 55.988 54.840 -0.154 0.000 0.783 162 L CB -0.139 41.794 42.059 -0.210 0.000 0.919 162 L HN 0.677 nan 8.230 nan 0.000 0.442 163 W N -0.275 120.893 121.300 -0.220 0.000 3.204 163 W HA 0.018 4.678 4.660 -0.000 0.000 0.249 163 W C 1.528 177.856 176.519 -0.318 0.000 1.322 163 W CA 0.263 57.438 57.345 -0.284 0.000 1.593 163 W CB 0.220 29.547 29.460 -0.221 0.000 1.122 163 W HN 0.059 nan 8.180 nan 0.000 0.710 164 V N -0.478 119.369 119.914 -0.111 0.000 2.721 164 V HA -0.166 3.954 4.120 -0.000 0.000 0.236 164 V C 2.420 178.403 176.094 -0.185 0.000 1.116 164 V CA 2.241 64.447 62.300 -0.156 0.000 1.148 164 V CB -0.655 31.105 31.823 -0.104 0.000 0.886 164 V HN 0.038 nan 8.190 nan 0.000 0.490 165 T N -0.965 113.493 114.554 -0.161 0.000 2.995 165 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 165 T C 1.592 176.180 174.700 -0.186 0.000 1.091 165 T CA 1.730 63.742 62.100 -0.146 0.000 1.128 165 T CB -0.541 68.258 68.868 -0.115 0.000 0.891 165 T HN 0.576 nan 8.240 nan 0.000 0.492 166 T N -0.252 114.142 114.554 -0.266 0.000 3.107 166 T HA 0.236 4.586 4.350 -0.000 0.000 0.249 166 T C 1.633 176.136 174.700 -0.329 0.000 1.096 166 T CA 0.325 62.249 62.100 -0.292 0.000 1.012 166 T CB -0.016 68.635 68.868 -0.361 0.000 0.977 166 T HN 0.473 nan 8.240 nan 0.000 0.527 167 V N -1.831 117.859 119.914 -0.374 0.000 3.605 167 V HA 0.547 4.667 4.120 -0.000 0.000 0.284 167 V C 0.249 176.218 176.094 -0.208 0.000 1.386 167 V CA -0.465 61.582 62.300 -0.421 0.000 1.053 167 V CB -0.416 30.853 31.823 -0.923 0.000 0.857 167 V HN 0.353 nan 8.190 nan 0.000 0.436 168 L N 0.917 122.044 121.223 -0.160 0.000 2.330 168 L HA 0.649 4.989 4.340 -0.000 0.000 0.271 168 L C -2.491 174.337 176.870 -0.070 0.000 1.013 168 L CA -2.122 52.666 54.840 -0.087 0.000 0.816 168 L CB 1.777 43.792 42.059 -0.075 0.000 1.287 168 L HN -0.051 nan 8.230 nan 0.000 0.435 169 P HA 0.108 nan 4.420 nan 0.000 0.269 169 P C -2.143 175.134 177.300 -0.038 0.000 1.209 169 P CA -0.974 62.104 63.100 -0.036 0.000 0.776 169 P CB 0.198 31.887 31.700 -0.019 0.000 0.876 170 P HA -0.245 nan 4.420 nan 0.000 0.216 170 P C 1.483 178.768 177.300 -0.025 0.000 1.150 170 P CA 1.901 64.979 63.100 -0.037 0.000 0.843 170 P CB -0.261 31.418 31.700 -0.035 0.000 0.787 171 S N -0.625 115.064 115.700 -0.018 0.000 2.382 171 S HA -0.186 4.284 4.470 -0.000 0.000 0.228 171 S C 2.124 176.722 174.600 -0.003 0.000 1.027 171 S CA 1.147 59.341 58.200 -0.009 0.000 0.991 171 S CB -0.815 62.383 63.200 -0.004 0.000 0.823 171 S HN -0.012 nan 8.310 nan 0.000 0.469 172 R N 1.704 122.201 120.500 -0.005 0.000 2.073 172 R HA 0.142 4.482 4.340 -0.000 0.000 0.229 172 R C 2.040 178.340 176.300 -0.000 0.000 1.120 172 R CA 1.562 57.664 56.100 0.003 0.000 0.967 172 R CB -1.430 28.870 30.300 -0.000 0.000 0.862 172 R HN 0.332 nan 8.270 nan 0.000 0.436 173 V N 1.467 121.370 119.914 -0.018 0.000 2.392 173 V HA -0.234 3.886 4.120 -0.000 0.000 0.249 173 V C 2.428 178.514 176.094 -0.013 0.000 1.059 173 V CA 2.201 64.487 62.300 -0.023 0.000 1.051 173 V CB -0.571 31.226 31.823 -0.043 0.000 0.658 173 V HN 0.411 nan 8.190 nan 0.000 0.455 174 K N -0.089 120.303 120.400 -0.013 0.000 2.057 174 K HA -0.145 4.174 4.320 -0.000 0.000 0.207 174 K C 2.112 178.708 176.600 -0.006 0.000 1.049 174 K CA 1.450 57.728 56.287 -0.015 0.000 0.931 174 K CB -0.175 32.315 32.500 -0.017 0.000 0.714 174 K HN 0.313 nan 8.250 nan 0.000 0.440 175 V N 1.799 121.724 119.914 0.018 0.000 2.287 175 V HA -0.278 3.841 4.120 -0.000 0.000 0.248 175 V C 2.294 178.454 176.094 0.110 0.000 1.053 175 V CA 1.741 64.078 62.300 0.062 0.000 1.027 175 V CB -0.327 31.544 31.823 0.080 0.000 0.646 175 V HN 0.331 nan 8.190 nan 0.000 0.447 176 L N -0.673 120.598 121.223 0.081 0.000 2.056 176 L HA -0.119 4.220 4.340 -0.000 0.000 0.207 176 L C 2.605 179.519 176.870 0.072 0.000 1.078 176 L CA 1.554 56.451 54.840 0.095 0.000 0.749 176 L CB -0.635 41.454 42.059 0.051 0.000 0.901 176 L HN 0.259 nan 8.230 nan 0.000 0.433 177 S N -0.006 115.708 115.700 0.023 0.000 2.382 177 S HA -0.145 4.325 4.470 -0.000 0.000 0.228 177 S C 2.172 176.758 174.600 -0.023 0.000 1.027 177 S CA 1.148 59.349 58.200 0.001 0.000 0.991 177 S CB -0.252 62.939 63.200 -0.016 0.000 0.823 177 S HN 0.484 nan 8.310 nan 0.000 0.469 178 A N 0.902 123.681 122.820 -0.069 0.000 2.019 178 A HA -0.127 4.192 4.320 -0.000 0.000 0.219 178 A C 1.535 178.956 177.584 -0.272 0.000 1.164 178 A CA 1.200 53.127 52.037 -0.183 0.000 0.644 178 A CB -0.528 18.318 19.000 -0.257 0.000 0.805 178 A HN 0.552 nan 8.150 nan 0.000 0.449 179 H N -1.376 117.699 119.070 0.008 0.000 2.529 179 H HA 0.263 4.819 4.556 -0.001 0.000 0.277 179 H C 1.507 176.844 175.328 0.014 0.000 1.004 179 H CA 0.444 56.499 56.048 0.012 0.000 1.167 179 H CB 0.028 29.799 29.762 0.015 0.000 1.445 179 H HN 0.597 nan 8.280 nan 0.000 0.554 180 G N 1.491 110.340 108.800 0.081 0.000 2.176 180 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.252 180 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.252 180 G C 0.868 175.810 174.900 0.070 0.000 1.024 180 G CA 0.389 45.525 45.100 0.060 0.000 0.755 180 G HN 0.435 nan 8.290 nan 0.000 0.507 181 L N -0.125 121.146 121.223 0.080 0.000 2.607 181 L HA 0.316 4.656 4.340 -0.000 0.000 0.228 181 L C 0.982 177.882 176.870 0.050 0.000 1.123 181 L CA -0.440 54.442 54.840 0.071 0.000 0.890 181 L CB 0.030 42.137 42.059 0.081 0.000 1.103 181 L HN 0.168 nan 8.230 nan 0.000 0.468 182 I N 2.245 122.836 120.570 0.035 0.000 2.471 182 I HA 0.157 4.326 4.170 -0.000 0.000 0.286 182 I C -1.947 174.182 176.117 0.020 0.000 1.079 182 I CA -2.116 59.193 61.300 0.014 0.000 1.398 182 I CB 0.214 38.212 38.000 -0.004 0.000 1.403 182 I HN -0.196 nan 8.210 nan 0.000 0.530 183 P HA 0.143 nan 4.420 nan 0.000 0.271 183 P C 0.282 177.594 177.300 0.020 0.000 1.216 183 P CA -0.212 62.909 63.100 0.035 0.000 0.776 183 P CB 0.901 32.612 31.700 0.019 0.000 0.881 184 A N 2.497 125.349 122.820 0.053 0.000 1.975 184 A HA 0.429 4.749 4.320 -0.000 0.000 0.215 184 A C 1.012 178.565 177.584 -0.052 0.000 1.170 184 A CA 1.445 53.465 52.037 -0.029 0.000 0.656 184 A CB -0.642 18.286 19.000 -0.119 0.000 0.821 184 A HN 0.656 nan 8.150 nan 0.000 0.449 185 G N -1.919 106.901 108.800 0.033 0.000 2.702 185 G HA2 0.443 4.402 3.960 -0.000 0.000 0.296 185 G HA3 0.443 4.402 3.960 -0.000 0.000 0.296 185 G C 0.236 175.172 174.900 0.059 0.000 1.463 185 G CA -0.508 44.603 45.100 0.017 0.000 0.890 185 G HN -0.023 nan 8.290 nan 0.000 0.534 186 I N 0.270 120.797 120.570 -0.071 0.000 2.163 186 I HA -0.081 4.088 4.170 -0.000 0.000 0.240 186 I C 1.966 178.142 176.117 0.098 0.000 1.081 186 I CA 1.068 62.327 61.300 -0.068 0.000 1.353 186 I CB 0.085 37.869 38.000 -0.361 0.000 1.054 186 I HN 0.382 nan 8.210 nan 0.000 0.407 187 D N -0.672 119.857 120.400 0.216 0.000 2.224 187 D HA -0.178 4.461 4.640 -0.000 0.000 0.205 187 D C 1.915 178.321 176.300 0.176 0.000 0.965 187 D CA 1.001 55.135 54.000 0.224 0.000 0.852 187 D CB -0.335 40.630 40.800 0.276 0.000 0.947 187 D HN 0.405 nan 8.370 nan 0.000 0.494 188 H N 1.375 120.512 119.070 0.112 0.000 2.319 188 H HA -0.097 4.458 4.556 -0.000 0.000 0.299 188 H C 1.689 177.062 175.328 0.075 0.000 1.092 188 H CA 1.785 57.888 56.048 0.091 0.000 1.302 188 H CB 0.334 30.148 29.762 0.086 0.000 1.373 188 H HN -0.059 nan 8.280 nan 0.000 0.497 189 E N 0.310 120.541 120.200 0.052 0.000 2.072 189 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 189 E C 2.618 179.208 176.600 -0.016 0.000 0.985 189 E CA 1.031 57.427 56.400 -0.007 0.000 0.801 189 E CB -0.196 29.545 29.700 0.069 0.000 0.750 189 E HN 0.601 nan 8.360 nan 0.000 0.452 190 I N 1.329 121.914 120.570 0.026 0.000 2.163 190 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 190 I C 2.493 178.613 176.117 0.005 0.000 1.085 190 I CA 1.302 62.620 61.300 0.030 0.000 1.347 190 I CB -0.341 37.694 38.000 0.058 0.000 1.044 190 I HN 0.007 nan 8.210 nan 0.000 0.408 191 A N -0.035 122.778 122.820 -0.011 0.000 1.933 191 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 191 A C 2.316 179.888 177.584 -0.021 0.000 1.175 191 A CA 1.828 53.854 52.037 -0.018 0.000 0.628 191 A CB -0.614 18.376 19.000 -0.018 0.000 0.814 191 A HN 0.494 nan 8.150 nan 0.000 0.444 192 E N -0.346 119.794 120.200 -0.100 0.000 2.150 192 E HA -0.150 4.199 4.350 -0.000 0.000 0.193 192 E C 1.783 178.372 176.600 -0.017 0.000 0.985 192 E CA 0.931 57.291 56.400 -0.067 0.000 0.814 192 E CB -0.099 29.486 29.700 -0.191 0.000 0.752 192 E HN 0.512 nan 8.360 nan 0.000 0.466 193 I N 0.962 121.524 120.570 -0.014 0.000 2.179 193 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 193 I C 2.351 178.479 176.117 0.019 0.000 1.088 193 I CA 1.185 62.488 61.300 0.005 0.000 1.357 193 I CB -0.885 37.125 38.000 0.017 0.000 1.051 193 I HN 0.320 nan 8.210 nan 0.000 0.409 194 M N -0.736 118.876 119.600 0.020 0.000 2.159 194 M HA -0.208 4.272 4.480 -0.000 0.000 0.263 194 M C 2.305 178.645 176.300 0.067 0.000 1.063 194 M CA 1.501 56.809 55.300 0.012 0.000 1.110 194 M CB -1.755 30.841 32.600 -0.007 0.000 1.374 194 M HN 0.396 nan 8.290 nan 0.000 0.411 195 H N 0.994 120.043 119.070 -0.035 0.000 2.270 195 H HA -0.162 4.393 4.556 -0.001 0.000 0.299 195 H C 2.303 177.626 175.328 -0.007 0.000 1.077 195 H CA 1.902 57.935 56.048 -0.024 0.000 1.294 195 H CB 0.076 29.820 29.762 -0.030 0.000 1.371 195 H HN 0.376 nan 8.280 nan 0.000 0.491 196 R N 0.759 121.211 120.500 -0.079 0.000 2.189 196 R HA -0.066 4.274 4.340 -0.000 0.000 0.223 196 R C 1.775 178.057 176.300 -0.029 0.000 1.092 196 R CA 1.694 57.694 56.100 -0.167 0.000 0.989 196 R CB -0.513 29.700 30.300 -0.146 0.000 0.876 196 R HN 0.378 nan 8.270 nan 0.000 0.457 197 T N -1.420 113.154 114.554 0.034 0.000 3.081 197 T HA 0.066 4.416 4.350 -0.000 0.000 0.250 197 T C 0.994 175.801 174.700 0.178 0.000 1.100 197 T CA 0.030 62.192 62.100 0.103 0.000 1.038 197 T CB 0.039 68.983 68.868 0.126 0.000 0.962 197 T HN 0.340 nan 8.240 nan 0.000 0.516 198 S N 1.792 117.558 115.700 0.109 0.000 2.608 198 S HA 0.439 4.909 4.470 -0.000 0.000 0.261 198 S C 0.496 175.169 174.600 0.122 0.000 1.314 198 S CA -0.986 57.279 58.200 0.109 0.000 0.992 198 S CB 0.230 63.478 63.200 0.080 0.000 0.935 198 S HN 0.362 nan 8.310 nan 0.000 0.564 199 M N 1.419 121.083 119.600 0.108 0.000 2.248 199 M HA 0.283 4.763 4.480 -0.000 0.000 0.345 199 M C 1.215 177.550 176.300 0.058 0.000 1.243 199 M CA 1.887 57.234 55.300 0.079 0.000 1.090 199 M CB -0.593 32.044 32.600 0.063 0.000 1.683 199 M HN 1.522 nan 8.290 nan 0.000 0.450 200 G N 3.641 112.464 108.800 0.039 0.000 2.143 200 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.248 200 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.248 200 G C 0.216 175.132 174.900 0.028 0.000 0.991 200 G CA 0.179 45.296 45.100 0.029 0.000 0.689 200 G HN 0.810 nan 8.290 nan 0.000 0.522 201 C N -1.039 118.274 119.300 0.023 0.000 2.619 201 C HA 0.643 5.102 4.460 -0.000 0.000 0.073 201 C C 0.989 175.965 174.990 -0.024 0.000 2.364 201 C CA 0.113 59.126 59.018 -0.009 0.000 1.846 201 C CB 0.154 27.877 27.740 -0.029 0.000 2.824 201 C HN 0.552 nan 8.230 nan 0.000 0.336 202 D N 0.422 120.796 120.400 -0.043 0.000 2.425 202 D HA 0.452 5.091 4.640 -0.000 0.000 0.247 202 D C -0.176 176.115 176.300 -0.015 0.000 1.147 202 D CA 0.465 54.445 54.000 -0.034 0.000 0.879 202 D CB 0.667 41.441 40.800 -0.043 0.000 1.179 202 D HN 0.611 nan 8.370 nan 0.000 0.456 203 A N 3.452 126.264 122.820 -0.013 0.000 3.106 203 A HA 0.265 4.585 4.320 -0.000 0.000 0.227 203 A C -0.553 177.025 177.584 -0.009 0.000 0.920 203 A CA -0.638 51.392 52.037 -0.011 0.000 1.088 203 A CB 0.081 19.075 19.000 -0.010 0.000 1.233 203 A HN 0.489 nan 8.150 nan 0.000 0.503 204 D N -0.325 120.071 120.400 -0.007 0.000 2.686 204 D HA 0.625 5.265 4.640 -0.000 0.000 0.249 204 D C 1.012 177.311 176.300 -0.002 0.000 1.260 204 D CA 0.305 54.302 54.000 -0.004 0.000 0.910 204 D CB 1.753 42.552 40.800 -0.001 0.000 1.323 204 D HN 0.129 nan 8.370 nan 0.000 0.561 205 A N 3.308 126.126 122.820 -0.002 0.000 1.908 205 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 205 A C 1.901 179.489 177.584 0.006 0.000 1.181 205 A CA 1.830 53.867 52.037 -0.000 0.000 0.627 205 A CB -0.581 18.417 19.000 -0.003 0.000 0.818 205 A HN 0.631 nan 8.150 nan 0.000 0.445 206 Q N 0.192 119.996 119.800 0.008 0.000 2.079 206 Q HA -0.177 4.163 4.340 -0.000 0.000 0.200 206 Q C 1.877 177.885 176.000 0.014 0.000 0.974 206 Q CA 2.180 57.990 55.803 0.012 0.000 0.840 206 Q CB -0.460 28.285 28.738 0.012 0.000 0.898 206 Q HN 0.658 nan 8.270 nan 0.000 0.430 207 N N -0.712 117.995 118.700 0.012 0.000 2.120 207 N HA -0.092 4.647 4.740 -0.000 0.000 0.188 207 N C 1.487 177.004 175.510 0.011 0.000 1.024 207 N CA 1.264 54.321 53.050 0.012 0.000 0.852 207 N CB -0.182 38.309 38.487 0.006 0.000 1.003 207 N HN 0.327 nan 8.380 nan 0.000 0.424 208 L N -0.035 121.192 121.223 0.008 0.000 2.046 208 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 208 L C 2.095 178.978 176.870 0.021 0.000 1.077 208 L CA 0.919 55.765 54.840 0.011 0.000 0.747 208 L CB -0.341 41.723 42.059 0.008 0.000 0.896 208 L HN 0.247 nan 8.230 nan 0.000 0.432 209 L N -1.019 120.219 121.223 0.024 0.000 2.217 209 L HA -0.180 4.159 4.340 -0.000 0.000 0.211 209 L C 2.403 179.297 176.870 0.040 0.000 1.107 209 L CA 0.712 55.573 54.840 0.036 0.000 0.783 209 L CB -0.324 41.757 42.059 0.037 0.000 0.919 209 L HN 0.265 nan 8.230 nan 0.000 0.442 210 L N -0.380 120.861 121.223 0.031 0.000 2.046 210 L HA -0.135 4.204 4.340 -0.000 0.000 0.208 210 L C 2.679 179.574 176.870 0.043 0.000 1.077 210 L CA 1.420 56.280 54.840 0.034 0.000 0.747 210 L CB -1.078 41.003 42.059 0.035 0.000 0.896 210 L HN 0.308 nan 8.230 nan 0.000 0.432 211 G N -0.388 108.434 108.800 0.036 0.000 2.418 211 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 211 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 211 G C 1.591 176.519 174.900 0.048 0.000 1.158 211 G CA 0.745 45.866 45.100 0.036 0.000 0.771 211 G HN 0.490 nan 8.290 nan 0.000 0.545 212 G N 0.963 109.794 108.800 0.052 0.000 2.440 212 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 212 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 212 G C 1.805 176.759 174.900 0.089 0.000 1.154 212 G CA 0.825 45.967 45.100 0.069 0.000 0.767 212 G HN 0.430 nan 8.290 nan 0.000 0.552 213 L N -0.210 121.063 121.223 0.084 0.000 2.046 213 L HA -0.060 4.279 4.340 -0.000 0.000 0.208 213 L C 2.910 179.836 176.870 0.093 0.000 1.077 213 L CA 1.492 56.387 54.840 0.092 0.000 0.747 213 L CB -0.468 41.630 42.059 0.065 0.000 0.896 213 L HN 0.211 nan 8.230 nan 0.000 0.432 214 R N -0.301 120.245 120.500 0.076 0.000 2.081 214 R HA -0.211 4.128 4.340 -0.000 0.000 0.235 214 R C 2.521 178.867 176.300 0.077 0.000 1.131 214 R CA 1.975 58.117 56.100 0.071 0.000 0.960 214 R CB -0.572 29.766 30.300 0.064 0.000 0.856 214 R HN 0.416 nan 8.270 nan 0.000 0.436 215 C N 0.792 120.141 119.300 0.082 0.000 2.432 215 C HA -0.023 4.436 4.460 -0.000 0.000 0.280 215 C C 3.023 178.088 174.990 0.126 0.000 1.353 215 C CA 1.243 60.314 59.018 0.088 0.000 1.766 215 C CB -0.964 26.822 27.740 0.077 0.000 1.924 215 C HN 0.780 nan 8.230 nan 0.000 0.509 216 S N 0.345 116.139 115.700 0.158 0.000 2.402 216 S HA -0.086 4.384 4.470 -0.000 0.000 0.229 216 S C 1.741 176.492 174.600 0.253 0.000 1.021 216 S CA 1.552 59.906 58.200 0.258 0.000 0.974 216 S CB -0.713 62.651 63.200 0.275 0.000 0.800 216 S HN 0.689 nan 8.310 nan 0.000 0.484 217 L N 1.024 122.327 121.223 0.134 0.000 2.217 217 L HA 0.080 4.420 4.340 -0.000 0.000 0.211 217 L C 3.136 179.991 176.870 -0.025 0.000 1.107 217 L CA 0.859 55.712 54.840 0.021 0.000 0.783 217 L CB -0.761 41.305 42.059 0.012 0.000 0.919 217 L HN 0.479 nan 8.230 nan 0.000 0.442 218 A N 0.164 122.999 122.820 0.024 0.000 1.933 218 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 218 A C 1.947 179.540 177.584 0.015 0.000 1.175 218 A CA 2.097 54.133 52.037 -0.002 0.000 0.628 218 A CB -0.577 18.439 19.000 0.026 0.000 0.814 218 A HN 0.454 nan 8.150 nan 0.000 0.444 219 D N -0.687 119.780 120.400 0.111 0.000 2.117 219 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 219 D C 1.804 178.129 176.300 0.041 0.000 0.987 219 D CA 1.367 55.493 54.000 0.209 0.000 0.829 219 D CB -0.146 40.910 40.800 0.428 0.000 0.961 219 D HN 0.259 nan 8.370 nan 0.000 0.460 220 L N 0.564 121.622 121.223 -0.274 0.000 2.042 220 L HA -0.049 4.291 4.340 -0.000 0.000 0.210 220 L C 2.135 178.803 176.870 -0.337 0.000 1.076 220 L CA 2.224 56.576 54.840 -0.812 0.000 0.749 220 L CB -1.083 40.262 42.059 -1.191 0.000 0.893 220 L HN 0.106 nan 8.230 nan 0.000 0.432 221 A N -0.408 122.297 122.820 -0.191 0.000 1.908 221 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 221 A C 2.356 179.867 177.584 -0.121 0.000 1.181 221 A CA 1.683 53.667 52.037 -0.088 0.000 0.627 221 A CB -1.643 17.300 19.000 -0.094 0.000 0.818 221 A HN 0.553 nan 8.150 nan 0.000 0.445 222 G N -1.093 107.635 108.800 -0.121 0.000 2.408 222 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 222 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 222 G C 1.568 176.421 174.900 -0.078 0.000 1.150 222 G CA 1.263 46.316 45.100 -0.078 0.000 0.776 222 G HN 0.528 nan 8.290 nan 0.000 0.542 223 C N -0.878 118.347 119.300 -0.126 0.000 2.432 223 C HA -0.033 4.427 4.460 -0.000 0.000 0.277 223 C C 2.371 177.312 174.990 -0.081 0.000 1.249 223 C CA 0.720 59.624 59.018 -0.190 0.000 1.725 223 C CB -1.058 26.558 27.740 -0.205 0.000 2.028 223 C HN 0.522 nan 8.230 nan 0.000 0.477 224 Y N 0.755 120.972 120.300 -0.139 0.000 2.242 224 Y HA -0.154 4.396 4.550 -0.001 0.000 0.291 224 Y C 2.588 178.496 175.900 0.013 0.000 1.137 224 Y CA 1.683 59.781 58.100 -0.003 0.000 1.181 224 Y CB -0.556 37.948 38.460 0.074 0.000 0.989 224 Y HN 0.285 nan 8.280 nan 0.000 0.527 225 M N -0.933 118.629 119.600 -0.063 0.000 2.117 225 M HA -0.130 4.350 4.480 -0.000 0.000 0.262 225 M C 2.223 178.424 176.300 -0.165 0.000 1.065 225 M CA 2.159 57.130 55.300 -0.548 0.000 1.114 225 M CB -0.616 31.396 32.600 -0.981 0.000 1.361 225 M HN 0.339 nan 8.290 nan 0.000 0.408 226 G N -0.745 108.018 108.800 -0.063 0.000 2.418 226 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 226 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 226 G C 1.304 176.256 174.900 0.087 0.000 1.158 226 G CA 1.390 46.528 45.100 0.063 0.000 0.771 226 G HN 0.471 nan 8.290 nan 0.000 0.545 227 T N 0.946 115.517 114.554 0.028 0.000 2.708 227 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 227 T C 2.023 176.771 174.700 0.079 0.000 1.037 227 T CA 1.452 63.572 62.100 0.033 0.000 1.146 227 T CB -0.284 68.537 68.868 -0.079 0.000 0.865 227 T HN 0.137 nan 8.240 nan 0.000 0.435 228 D N 1.028 121.511 120.400 0.138 0.000 2.092 228 D HA -0.029 4.611 4.640 -0.000 0.000 0.193 228 D C 2.141 178.532 176.300 0.151 0.000 0.994 228 D CA 0.915 55.044 54.000 0.215 0.000 0.828 228 D CB -0.346 40.729 40.800 0.458 0.000 0.963 228 D HN 0.307 nan 8.370 nan 0.000 0.450 229 L N 0.365 121.655 121.223 0.111 0.000 2.109 229 L HA -0.064 4.275 4.340 -0.000 0.000 0.207 229 L C 2.524 179.420 176.870 0.043 0.000 1.086 229 L CA 0.944 55.819 54.840 0.059 0.000 0.760 229 L CB -0.367 41.703 42.059 0.018 0.000 0.910 229 L HN -0.043 nan 8.230 nan 0.000 0.437 230 A N -0.098 122.796 122.820 0.123 0.000 1.933 230 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 230 A C 1.895 179.582 177.584 0.172 0.000 1.175 230 A CA 1.926 54.102 52.037 0.233 0.000 0.628 230 A CB -0.454 18.740 19.000 0.322 0.000 0.814 230 A HN 0.329 nan 8.150 nan 0.000 0.444 231 D N 0.039 120.507 120.400 0.114 0.000 2.117 231 D HA -0.096 4.544 4.640 -0.000 0.000 0.198 231 D C 1.842 178.167 176.300 0.041 0.000 0.982 231 D CA 1.022 55.072 54.000 0.083 0.000 0.828 231 D CB -0.341 40.500 40.800 0.069 0.000 0.967 231 D HN 0.519 nan 8.370 nan 0.000 0.464 232 I N 0.397 120.980 120.570 0.022 0.000 2.163 232 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 232 I C 2.348 178.409 176.117 -0.094 0.000 1.085 232 I CA 0.938 62.233 61.300 -0.007 0.000 1.347 232 I CB -0.148 37.858 38.000 0.009 0.000 1.044 232 I HN -0.010 nan 8.210 nan 0.000 0.408 233 L N -1.067 120.002 121.223 -0.255 0.000 2.179 233 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 233 L C 1.526 178.032 176.870 -0.606 0.000 1.096 233 L CA 1.141 55.638 54.840 -0.573 0.000 0.779 233 L CB -0.088 41.296 42.059 -1.125 0.000 0.922 233 L HN 0.182 nan 8.230 nan 0.000 0.443 234 F N -0.942 119.067 119.950 0.097 0.000 2.767 234 F HA 0.465 4.991 4.527 -0.001 0.000 0.323 234 F C 0.966 176.800 175.800 0.056 0.000 1.091 234 F CA -0.131 57.929 58.000 0.100 0.000 1.192 234 F CB 0.320 39.385 39.000 0.108 0.000 1.056 234 F HN -0.051 nan 8.300 nan 0.000 0.571 235 G N 0.793 109.678 108.800 0.141 0.000 2.784 235 G HA2 -0.082 3.877 3.960 -0.000 0.000 0.686 235 G HA3 -0.082 3.877 3.960 -0.000 0.000 0.686 235 G C -0.458 174.468 174.900 0.044 0.000 1.156 235 G CA -1.050 44.094 45.100 0.074 0.000 0.757 235 G HN -0.018 nan 8.290 nan 0.000 0.642 236 T N 4.427 118.994 114.554 0.022 0.000 2.870 236 T HA 0.487 4.837 4.350 -0.000 0.000 0.300 236 T C -1.640 173.040 174.700 -0.032 0.000 0.989 236 T CA -0.144 61.959 62.100 0.005 0.000 1.139 236 T CB 1.034 69.908 68.868 0.010 0.000 0.920 236 T HN 0.507 nan 8.240 nan 0.000 0.537 237 P HA 0.380 nan 4.420 nan 0.000 0.267 237 P C -1.020 176.215 177.300 -0.109 0.000 1.200 237 P CA -0.195 62.841 63.100 -0.108 0.000 0.772 237 P CB 0.491 32.115 31.700 -0.126 0.000 0.855 238 A N 3.840 126.574 122.820 -0.143 0.000 2.430 238 A HA 0.740 5.059 4.320 -0.000 0.000 0.300 238 A C -2.731 174.700 177.584 -0.254 0.000 1.124 238 A CA -2.033 49.908 52.037 -0.161 0.000 0.766 238 A CB 0.383 19.322 19.000 -0.102 0.000 1.328 238 A HN 0.308 nan 8.150 nan 0.000 0.424 239 P HA 0.290 nan 4.420 nan 0.000 0.265 239 P C -0.580 176.568 177.300 -0.253 0.000 1.193 239 P CA 0.303 63.131 63.100 -0.453 0.000 0.765 239 P CB 0.550 32.003 31.700 -0.412 0.000 0.823 240 V N 1.060 120.835 119.914 -0.233 0.000 3.078 240 V HA 0.712 4.832 4.120 -0.000 0.000 0.311 240 V C -0.786 175.262 176.094 -0.076 0.000 1.138 240 V CA -1.002 61.222 62.300 -0.126 0.000 1.007 240 V CB 2.329 34.081 31.823 -0.120 0.000 1.045 240 V HN 0.143 nan 8.190 nan 0.000 0.432 241 V N 1.727 121.620 119.914 -0.035 0.000 2.604 241 V HA 0.885 5.004 4.120 -0.000 0.000 0.305 241 V C 0.183 176.278 176.094 0.001 0.000 1.043 241 V CA 0.499 62.797 62.300 -0.003 0.000 0.888 241 V CB 1.363 33.190 31.823 0.007 0.000 0.995 241 V HN 1.354 nan 8.190 nan 0.000 0.429 242 T N 3.029 117.593 114.554 0.016 0.000 2.626 242 T HA 0.549 4.898 4.350 -0.000 0.000 0.285 242 T C -1.640 173.076 174.700 0.027 0.000 1.194 242 T CA -0.348 61.761 62.100 0.016 0.000 1.112 242 T CB 1.850 70.725 68.868 0.012 0.000 1.714 242 T HN 0.741 nan 8.240 nan 0.000 0.457 243 E N 0.034 120.250 120.200 0.027 0.000 2.429 243 E HA 0.635 4.985 4.350 -0.000 0.000 0.276 243 E C -1.514 175.107 176.600 0.035 0.000 0.953 243 E CA -0.932 55.485 56.400 0.028 0.000 0.787 243 E CB 2.250 31.959 29.700 0.014 0.000 1.307 243 E HN 0.719 nan 8.360 nan 0.000 0.458 244 S N 1.249 116.971 115.700 0.037 0.000 2.618 244 S HA 0.708 5.178 4.470 -0.000 0.000 0.277 244 S C -0.429 174.183 174.600 0.020 0.000 1.138 244 S CA -0.485 57.742 58.200 0.045 0.000 0.844 244 S CB 1.951 65.208 63.200 0.094 0.000 1.127 244 S HN 0.869 nan 8.310 nan 0.000 0.474 245 N N -0.877 117.831 118.700 0.013 0.000 6.490 245 N HA -0.155 4.585 4.740 -0.000 0.000 0.412 245 N C 0.124 175.624 175.510 -0.017 0.000 1.101 245 N CA 0.165 53.212 53.050 -0.005 0.000 1.820 245 N CB -0.954 37.522 38.487 -0.019 0.000 0.745 245 N HN 0.669 nan 8.380 nan 0.000 0.448 246 L N 0.423 121.635 121.223 -0.017 0.000 2.265 246 L HA -0.024 4.316 4.340 -0.000 0.000 0.215 246 L C 2.348 179.211 176.870 -0.012 0.000 1.117 246 L CA 1.576 56.406 54.840 -0.017 0.000 0.782 246 L CB -0.656 41.398 42.059 -0.009 0.000 0.914 246 L HN 0.752 nan 8.230 nan 0.000 0.441 247 G N 0.030 108.824 108.800 -0.010 0.000 2.708 247 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.210 247 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.210 247 G C 1.526 176.422 174.900 -0.006 0.000 1.141 247 G CA 0.780 45.877 45.100 -0.006 0.000 0.788 247 G HN 0.395 nan 8.290 nan 0.000 0.531 248 V N -1.602 118.307 119.914 -0.009 0.000 3.217 248 V HA 0.318 4.438 4.120 -0.000 0.000 0.264 248 V C 1.220 177.307 176.094 -0.011 0.000 1.135 248 V CA -0.019 62.275 62.300 -0.010 0.000 1.142 248 V CB -0.581 31.233 31.823 -0.014 0.000 0.754 248 V HN 0.161 nan 8.190 nan 0.000 0.484 249 L N 1.399 122.617 121.223 -0.009 0.000 2.439 249 L HA 0.355 4.694 4.340 -0.000 0.000 0.269 249 L C 0.290 177.165 176.870 0.007 0.000 1.179 249 L CA 0.330 55.169 54.840 -0.002 0.000 0.828 249 L CB 0.464 42.524 42.059 0.002 0.000 1.106 249 L HN 0.190 nan 8.230 nan 0.000 0.467 250 K N 1.484 121.894 120.400 0.017 0.000 2.502 250 K HA 0.391 4.710 4.320 -0.000 0.000 0.254 250 K C 0.396 177.030 176.600 0.057 0.000 0.947 250 K CA -0.466 55.836 56.287 0.025 0.000 0.834 250 K CB 1.911 34.417 32.500 0.011 0.000 1.112 250 K HN 0.647 nan 8.250 nan 0.000 0.427 251 A N 2.398 125.255 122.820 0.060 0.000 1.978 251 A HA -0.200 4.119 4.320 -0.000 0.000 0.220 251 A C 1.275 178.962 177.584 0.172 0.000 1.170 251 A CA 2.050 54.140 52.037 0.089 0.000 0.636 251 A CB -0.364 18.668 19.000 0.054 0.000 0.810 251 A HN 0.852 nan 8.150 nan 0.000 0.448 252 D N -0.821 119.665 120.400 0.143 0.000 2.328 252 D HA 0.432 5.072 4.640 -0.000 0.000 0.221 252 D C 0.486 176.861 176.300 0.124 0.000 1.072 252 D CA 0.594 54.712 54.000 0.197 0.000 0.850 252 D CB -0.288 40.576 40.800 0.107 0.000 0.922 252 D HN 0.399 nan 8.370 nan 0.000 0.516 253 A N 0.024 122.882 122.820 0.063 0.000 2.322 253 A HA 0.588 4.908 4.320 -0.000 0.000 0.327 253 A C -0.299 177.178 177.584 -0.180 0.000 1.134 253 A CA -0.815 51.138 52.037 -0.140 0.000 0.831 253 A CB 1.546 20.495 19.000 -0.085 0.000 1.288 253 A HN 0.016 nan 8.150 nan 0.000 0.472 254 V N 3.107 122.795 119.914 -0.376 0.000 2.397 254 V HA 0.073 4.192 4.120 -0.000 0.000 0.262 254 V C -0.123 175.943 176.094 -0.047 0.000 1.047 254 V CA -0.360 61.829 62.300 -0.185 0.000 1.003 254 V CB -0.456 31.225 31.823 -0.237 0.000 1.037 254 V HN 0.710 nan 8.190 nan 0.000 0.480 255 N N 4.302 123.023 118.700 0.035 0.000 2.419 255 N HA 0.371 5.110 4.740 -0.000 0.000 0.264 255 N C -0.743 174.770 175.510 0.004 0.000 1.031 255 N CA -0.202 52.855 53.050 0.012 0.000 0.951 255 N CB 2.219 40.723 38.487 0.028 0.000 1.101 255 N HN 0.385 nan 8.380 nan 0.000 0.488 256 V N 1.639 121.542 119.914 -0.019 0.000 2.407 256 V HA 0.459 4.579 4.120 -0.000 0.000 0.291 256 V C 0.084 176.158 176.094 -0.034 0.000 1.018 256 V CA -0.974 61.312 62.300 -0.024 0.000 0.842 256 V CB 1.279 33.081 31.823 -0.035 0.000 0.996 256 V HN 0.706 nan 8.190 nan 0.000 0.426 257 A N 4.907 127.710 122.820 -0.029 0.000 2.309 257 A HA 0.768 5.088 4.320 -0.000 0.000 0.298 257 A C -0.085 177.479 177.584 -0.033 0.000 1.165 257 A CA -0.456 51.556 52.037 -0.042 0.000 0.821 257 A CB 1.073 20.044 19.000 -0.048 0.000 1.102 257 A HN 1.276 nan 8.150 nan 0.000 0.500 258 V N 1.308 121.192 119.914 -0.049 0.000 2.407 258 V HA 0.694 4.814 4.120 -0.000 0.000 0.278 258 V C -0.329 175.767 176.094 0.004 0.000 1.037 258 V CA -0.430 61.840 62.300 -0.050 0.000 0.900 258 V CB 0.836 32.603 31.823 -0.093 0.000 0.983 258 V HN 0.978 nan 8.190 nan 0.000 0.459 259 H N 2.465 121.465 119.070 -0.117 0.000 2.851 259 H HA 0.850 5.406 4.556 -0.000 0.000 0.372 259 H C 0.115 175.378 175.328 -0.109 0.000 1.158 259 H CA 0.320 56.306 56.048 -0.104 0.000 1.159 259 H CB 1.836 31.559 29.762 -0.066 0.000 1.757 259 H HN 1.377 nan 8.280 nan 0.000 0.546 260 G N 2.419 111.213 108.800 -0.010 0.000 2.358 260 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.198 260 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.198 260 G C -0.448 174.273 174.900 -0.297 0.000 1.220 260 G CA 0.360 45.404 45.100 -0.094 0.000 1.187 260 G HN 0.688 nan 8.290 nan 0.000 0.544 261 H N -0.056 118.958 119.070 -0.093 0.000 2.998 261 H HA 0.322 4.878 4.556 -0.000 0.000 0.223 261 H C 0.734 176.029 175.328 -0.055 0.000 0.906 261 H CA 0.320 56.393 56.048 0.042 0.000 1.014 261 H CB 0.589 30.510 29.762 0.265 0.000 1.389 261 H HN 0.351 nan 8.280 nan 0.000 0.467 262 N N 2.388 120.946 118.700 -0.237 0.000 2.422 262 N HA 0.064 4.804 4.740 -0.000 0.000 0.266 262 N C -1.993 173.350 175.510 -0.278 0.000 1.007 262 N CA -1.784 51.047 53.050 -0.365 0.000 0.941 262 N CB 1.842 40.050 38.487 -0.466 0.000 1.115 262 N HN 0.088 nan 8.380 nan 0.000 0.492 263 P HA -0.070 nan 4.420 nan 0.000 0.230 263 P C 1.396 178.429 177.300 -0.446 0.000 1.158 263 P CA 0.440 63.330 63.100 -0.351 0.000 0.769 263 P CB 0.524 32.004 31.700 -0.367 0.000 0.807 264 V N -0.000 119.820 119.914 -0.157 0.000 2.380 264 V HA -0.224 3.896 4.120 -0.000 0.000 0.251 264 V C 2.468 178.624 176.094 0.103 0.000 1.063 264 V CA 1.756 64.129 62.300 0.121 0.000 1.055 264 V CB -0.989 30.747 31.823 -0.144 0.000 0.657 264 V HN 0.105 nan 8.190 nan 0.000 0.455 265 L N 0.464 121.552 121.223 -0.226 0.000 2.121 265 L HA -0.007 4.333 4.340 -0.000 0.000 0.200 265 L C 2.741 179.386 176.870 -0.374 0.000 1.077 265 L CA 2.256 56.779 54.840 -0.527 0.000 0.766 265 L CB -0.829 40.853 42.059 -0.630 0.000 0.931 265 L HN 0.428 nan 8.230 nan 0.000 0.452 266 S N -1.444 114.066 115.700 -0.317 0.000 2.374 266 S HA -0.282 4.188 4.470 -0.000 0.000 0.227 266 S C 1.954 176.409 174.600 -0.241 0.000 1.037 266 S CA 1.630 59.679 58.200 -0.251 0.000 1.024 266 S CB -1.077 61.995 63.200 -0.213 0.000 0.861 266 S HN 0.634 nan 8.310 nan 0.000 0.456 267 D N 0.873 121.072 120.400 -0.336 0.000 2.144 267 D HA -0.059 4.580 4.640 -0.000 0.000 0.200 267 D C 1.917 178.088 176.300 -0.215 0.000 0.978 267 D CA 1.123 54.924 54.000 -0.332 0.000 0.833 267 D CB -0.009 40.329 40.800 -0.769 0.000 0.961 267 D HN 0.349 nan 8.370 nan 0.000 0.470 268 I N 1.518 122.004 120.570 -0.140 0.000 2.353 268 I HA -0.210 3.959 4.170 -0.000 0.000 0.248 268 I C 2.428 178.500 176.117 -0.075 0.000 1.119 268 I CA 0.471 61.734 61.300 -0.062 0.000 1.417 268 I CB -0.832 37.224 38.000 0.094 0.000 1.078 268 I HN 0.088 nan 8.210 nan 0.000 0.421 269 I N 0.643 121.147 120.570 -0.109 0.000 2.208 269 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 269 I C 2.746 178.797 176.117 -0.111 0.000 1.097 269 I CA 1.244 62.483 61.300 -0.102 0.000 1.363 269 I CB -1.232 36.690 38.000 -0.130 0.000 1.051 269 I HN 0.032 nan 8.210 nan 0.000 0.413 270 V N 0.092 119.918 119.914 -0.147 0.000 2.343 270 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 270 V C 2.584 178.573 176.094 -0.174 0.000 1.051 270 V CA 1.939 64.137 62.300 -0.170 0.000 1.036 270 V CB -0.542 31.136 31.823 -0.243 0.000 0.654 270 V HN 0.356 nan 8.190 nan 0.000 0.451 271 S N -0.632 114.960 115.700 -0.181 0.000 2.414 271 S HA -0.078 4.392 4.470 -0.000 0.000 0.227 271 S C 1.915 176.455 174.600 -0.099 0.000 1.022 271 S CA 1.049 59.160 58.200 -0.149 0.000 0.958 271 S CB 0.167 63.285 63.200 -0.137 0.000 0.797 271 S HN 0.367 nan 8.310 nan 0.000 0.493 272 V N 2.362 122.227 119.914 -0.082 0.000 2.548 272 V HA -0.111 4.009 4.120 -0.000 0.000 0.249 272 V C 2.586 178.646 176.094 -0.057 0.000 1.055 272 V CA 1.689 63.955 62.300 -0.057 0.000 1.065 272 V CB -0.876 30.927 31.823 -0.033 0.000 0.681 272 V HN 0.680 nan 8.190 nan 0.000 0.462 273 S N 0.317 115.976 115.700 -0.068 0.000 2.400 273 S HA -0.298 4.172 4.470 -0.000 0.000 0.232 273 S C 1.942 176.501 174.600 -0.068 0.000 1.025 273 S CA 1.685 59.845 58.200 -0.068 0.000 0.993 273 S CB -0.454 62.700 63.200 -0.076 0.000 0.808 273 S HN 0.621 nan 8.310 nan 0.000 0.478 274 K N 1.199 121.555 120.400 -0.073 0.000 2.057 274 K HA -0.079 4.241 4.320 -0.000 0.000 0.207 274 K C 2.331 178.898 176.600 -0.055 0.000 1.049 274 K CA 1.731 57.979 56.287 -0.066 0.000 0.931 274 K CB -0.210 32.248 32.500 -0.070 0.000 0.714 274 K HN 0.626 nan 8.250 nan 0.000 0.440 275 E N 0.164 120.333 120.200 -0.052 0.000 2.268 275 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 275 E C 1.459 178.035 176.600 -0.040 0.000 0.995 275 E CA 0.650 57.024 56.400 -0.042 0.000 0.836 275 E CB 0.033 29.710 29.700 -0.039 0.000 0.763 275 E HN 0.277 nan 8.360 nan 0.000 0.491 276 M N 0.874 120.447 119.600 -0.045 0.000 2.505 276 M HA 0.001 4.481 4.480 -0.000 0.000 0.230 276 M C 1.727 177.995 176.300 -0.053 0.000 1.153 276 M CA 0.120 55.393 55.300 -0.044 0.000 0.997 276 M CB 0.264 32.838 32.600 -0.043 0.000 1.606 276 M HN 0.069 nan 8.290 nan 0.000 0.481 277 E N 1.098 121.264 120.200 -0.055 0.000 2.097 277 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 277 E C 1.138 177.703 176.600 -0.059 0.000 1.000 277 E CA 1.810 58.172 56.400 -0.063 0.000 0.804 277 E CB 0.070 29.736 29.700 -0.055 0.000 0.740 277 E HN 0.645 nan 8.360 nan 0.000 0.454 278 N N -0.109 118.564 118.700 -0.045 0.000 2.216 278 N HA -0.139 4.600 4.740 -0.000 0.000 0.183 278 N C 1.839 177.327 175.510 -0.037 0.000 1.017 278 N CA 0.778 53.806 53.050 -0.037 0.000 0.861 278 N CB -0.027 38.444 38.487 -0.027 0.000 0.986 278 N HN 0.210 nan 8.380 nan 0.000 0.428 279 E N 0.872 121.050 120.200 -0.037 0.000 2.110 279 E HA -0.139 4.210 4.350 -0.000 0.000 0.193 279 E C 1.934 178.508 176.600 -0.044 0.000 0.988 279 E CA 0.835 57.217 56.400 -0.031 0.000 0.804 279 E CB 0.027 29.711 29.700 -0.026 0.000 0.745 279 E HN 0.376 nan 8.360 nan 0.000 0.458 280 A N 1.015 123.792 122.820 -0.071 0.000 1.930 280 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 280 A C 2.078 179.589 177.584 -0.122 0.000 1.175 280 A CA 1.191 53.156 52.037 -0.120 0.000 0.627 280 A CB -0.332 18.567 19.000 -0.168 0.000 0.815 280 A HN 0.135 nan 8.150 nan 0.000 0.443 281 R N -0.644 119.804 120.500 -0.087 0.000 2.148 281 R HA 0.013 4.353 4.340 -0.000 0.000 0.223 281 R C 2.292 178.576 176.300 -0.027 0.000 1.088 281 R CA 0.915 56.975 56.100 -0.066 0.000 0.985 281 R CB -0.348 29.922 30.300 -0.049 0.000 0.880 281 R HN 0.499 nan 8.270 nan 0.000 0.451 282 A N 0.904 123.713 122.820 -0.019 0.000 2.067 282 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 282 A C 2.065 179.664 177.584 0.024 0.000 1.158 282 A CA 1.468 53.506 52.037 0.002 0.000 0.661 282 A CB -0.212 18.788 19.000 -0.000 0.000 0.801 282 A HN 0.352 nan 8.150 nan 0.000 0.452 283 A N -2.041 120.795 122.820 0.027 0.000 2.251 283 A HA 0.435 4.755 4.320 -0.000 0.000 0.209 283 A C 1.683 179.370 177.584 0.171 0.000 1.187 283 A CA 1.134 53.224 52.037 0.088 0.000 0.823 283 A CB -0.618 18.441 19.000 0.097 0.000 0.846 283 A HN 1.754 nan 8.150 nan 0.000 0.486 284 G N -2.257 106.609 108.800 0.110 0.000 2.176 284 G HA2 0.138 4.098 3.960 -0.000 0.000 0.232 284 G HA3 0.138 4.098 3.960 -0.000 0.000 0.232 284 G C 0.401 175.407 174.900 0.176 0.000 0.986 284 G CA 0.225 45.429 45.100 0.174 0.000 0.643 284 G HN 1.480 nan 8.290 nan 0.000 0.522 285 A N -0.178 122.568 122.820 -0.123 0.000 2.252 285 A HA 0.823 5.143 4.320 -0.000 0.000 0.305 285 A C 1.653 179.114 177.584 -0.205 0.000 1.097 285 A CA 1.099 52.865 52.037 -0.453 0.000 0.849 285 A CB 0.536 18.861 19.000 -1.125 0.000 1.142 285 A HN 1.318 nan 8.150 nan 0.000 0.499 286 T N -2.321 112.130 114.554 -0.172 0.000 3.055 286 T HA 0.458 4.808 4.350 -0.000 0.000 0.265 286 T C 0.896 175.526 174.700 -0.116 0.000 1.111 286 T CA 0.984 63.024 62.100 -0.099 0.000 1.118 286 T CB -0.328 68.504 68.868 -0.061 0.000 0.909 286 T HN 2.254 nan 8.240 nan 0.000 0.501 287 G N 0.455 109.150 108.800 -0.174 0.000 2.356 287 G HA2 0.361 4.321 3.960 -0.000 0.000 0.288 287 G HA3 0.361 4.321 3.960 -0.000 0.000 0.288 287 G C -1.850 172.942 174.900 -0.180 0.000 1.302 287 G CA -1.007 44.003 45.100 -0.150 0.000 0.887 287 G HN 0.353 nan 8.290 nan 0.000 0.521 288 I N 1.177 121.668 120.570 -0.133 0.000 2.315 288 I HA 0.287 4.457 4.170 -0.000 0.000 0.291 288 I C -0.186 175.876 176.117 -0.090 0.000 1.006 288 I CA -0.673 60.555 61.300 -0.119 0.000 1.265 288 I CB 1.637 39.579 38.000 -0.097 0.000 1.387 288 I HN 0.374 nan 8.210 nan 0.000 0.475 289 N N 6.608 125.260 118.700 -0.080 0.000 2.589 289 N HA 0.237 4.976 4.740 -0.000 0.000 0.232 289 N C -0.895 174.585 175.510 -0.051 0.000 1.015 289 N CA -0.326 52.689 53.050 -0.058 0.000 0.931 289 N CB 0.782 39.242 38.487 -0.045 0.000 1.150 289 N HN 0.282 nan 8.380 nan 0.000 0.512 290 V N 3.787 123.668 119.914 -0.055 0.000 2.555 290 V HA 0.284 4.403 4.120 -0.000 0.000 0.286 290 V C 0.487 176.552 176.094 -0.049 0.000 1.044 290 V CA -0.419 61.848 62.300 -0.056 0.000 1.026 290 V CB 0.706 32.489 31.823 -0.066 0.000 0.981 290 V HN 0.460 nan 8.190 nan 0.000 0.480 291 V N 2.333 122.215 119.914 -0.053 0.000 3.040 291 V HA 1.050 5.170 4.120 -0.000 0.000 0.312 291 V C 0.143 176.192 176.094 -0.074 0.000 1.115 291 V CA -0.464 61.802 62.300 -0.057 0.000 0.998 291 V CB 1.876 33.665 31.823 -0.056 0.000 1.042 291 V HN 0.889 nan 8.190 nan 0.000 0.433 292 G N 1.492 110.240 108.800 -0.088 0.000 2.417 292 G HA2 0.774 4.733 3.960 -0.000 0.000 0.334 292 G HA3 0.774 4.733 3.960 -0.000 0.000 0.334 292 G C -1.101 173.685 174.900 -0.192 0.000 1.150 292 G CA -0.833 44.202 45.100 -0.108 0.000 0.923 292 G HN 0.842 nan 8.290 nan 0.000 0.485 293 I N 0.283 120.728 120.570 -0.208 0.000 2.608 293 I HA 0.350 4.520 4.170 -0.000 0.000 0.295 293 I C 0.400 176.399 176.117 -0.196 0.000 1.049 293 I CA -0.406 60.688 61.300 -0.343 0.000 1.063 293 I CB 1.774 39.431 38.000 -0.572 0.000 1.248 293 I HN 0.708 nan 8.210 nan 0.000 0.424 294 C N 2.536 121.750 119.300 -0.143 0.000 0.168 294 C HA -0.276 4.183 4.460 -0.000 0.000 0.017 294 C C 2.213 177.195 174.990 -0.012 0.000 0.171 294 C CA -0.119 58.917 59.018 0.030 0.000 0.499 294 C CB -1.458 26.351 27.740 0.115 0.000 3.212 294 C HN 1.045 nan 8.230 nan 0.000 1.118 295 C N -0.243 118.956 119.300 -0.167 0.000 2.450 295 C HA -0.052 4.408 4.460 -0.000 0.000 0.279 295 C C 2.703 177.624 174.990 -0.115 0.000 1.335 295 C CA 1.954 60.892 59.018 -0.132 0.000 1.749 295 C CB -1.437 26.181 27.740 -0.204 0.000 1.963 295 C HN 1.005 nan 8.230 nan 0.000 0.501 296 T N 0.024 114.460 114.554 -0.197 0.000 2.833 296 T HA -0.049 4.300 4.350 -0.000 0.000 0.269 296 T C 1.816 176.468 174.700 -0.079 0.000 1.054 296 T CA 1.892 63.919 62.100 -0.121 0.000 1.135 296 T CB -0.380 68.395 68.868 -0.154 0.000 0.869 296 T HN 0.636 nan 8.240 nan 0.000 0.466 297 G N 1.318 110.079 108.800 -0.065 0.000 2.418 297 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 297 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 297 G C 1.748 176.648 174.900 -0.000 0.000 1.158 297 G CA 0.642 45.714 45.100 -0.047 0.000 0.771 297 G HN 0.439 nan 8.290 nan 0.000 0.545 298 N N 0.621 119.347 118.700 0.043 0.000 2.166 298 N HA -0.077 4.663 4.740 -0.000 0.000 0.186 298 N C 2.187 177.691 175.510 -0.010 0.000 1.019 298 N CA 0.948 54.043 53.050 0.075 0.000 0.856 298 N CB -0.158 38.422 38.487 0.155 0.000 0.993 298 N HN 0.336 nan 8.380 nan 0.000 0.426 299 E N 0.525 120.717 120.200 -0.014 0.000 2.051 299 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 299 E C 2.097 178.656 176.600 -0.068 0.000 0.991 299 E CA 1.093 57.472 56.400 -0.035 0.000 0.799 299 E CB -0.339 29.343 29.700 -0.029 0.000 0.748 299 E HN 0.389 nan 8.360 nan 0.000 0.449 300 V N -0.686 119.202 119.914 -0.044 0.000 3.129 300 V HA -0.021 4.099 4.120 -0.000 0.000 0.259 300 V C 2.377 178.465 176.094 -0.010 0.000 1.116 300 V CA 0.770 63.079 62.300 0.016 0.000 1.127 300 V CB -0.678 31.170 31.823 0.043 0.000 0.742 300 V HN 0.061 nan 8.190 nan 0.000 0.474 301 L N -0.636 120.564 121.223 -0.038 0.000 2.027 301 L HA -0.074 4.266 4.340 -0.000 0.000 0.206 301 L C 2.645 179.441 176.870 -0.125 0.000 1.074 301 L CA 1.938 56.747 54.840 -0.051 0.000 0.745 301 L CB -0.214 41.836 42.059 -0.015 0.000 0.898 301 L HN 0.185 nan 8.230 nan 0.000 0.433 302 M N -0.734 118.757 119.600 -0.181 0.000 2.175 302 M HA -0.150 4.330 4.480 -0.000 0.000 0.264 302 M C 2.357 178.514 176.300 -0.238 0.000 1.063 302 M CA 1.687 56.845 55.300 -0.236 0.000 1.119 302 M CB -0.905 31.558 32.600 -0.229 0.000 1.377 302 M HN 0.304 nan 8.290 nan 0.000 0.415 303 R N -1.548 118.766 120.500 -0.310 0.000 2.156 303 R HA 0.013 4.352 4.340 -0.000 0.000 0.207 303 R C 0.924 176.804 176.300 -0.701 0.000 1.040 303 R CA 0.773 56.554 56.100 -0.532 0.000 1.013 303 R CB 0.160 30.042 30.300 -0.697 0.000 0.931 303 R HN 0.540 nan 8.270 nan 0.000 0.465 304 H N -1.973 117.064 119.070 -0.055 0.000 3.233 304 H HA 0.257 4.812 4.556 -0.001 0.000 0.263 304 H C 0.713 176.011 175.328 -0.050 0.000 1.168 304 H CA 0.260 56.278 56.048 -0.049 0.000 1.159 304 H CB 1.689 31.421 29.762 -0.051 0.000 1.593 304 H HN 0.331 nan 8.280 nan 0.000 0.580 305 G N 1.512 110.313 108.800 0.000 0.000 2.153 305 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.252 305 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.252 305 G C 0.003 174.911 174.900 0.013 0.000 0.994 305 G CA -0.030 45.068 45.100 -0.004 0.000 0.698 305 G HN 0.220 nan 8.290 nan 0.000 0.521 306 I N 2.254 122.839 120.570 0.026 0.000 2.668 306 I HA 0.144 4.314 4.170 -0.000 0.000 0.285 306 I C -1.202 174.915 176.117 0.000 0.000 1.168 306 I CA -1.999 59.306 61.300 0.009 0.000 1.424 306 I CB 0.145 38.150 38.000 0.008 0.000 1.377 306 I HN 0.037 nan 8.210 nan 0.000 0.560 307 P HA 0.137 nan 4.420 nan 0.000 0.271 307 P C -0.771 176.521 177.300 -0.013 0.000 1.216 307 P CA -0.476 62.623 63.100 -0.001 0.000 0.776 307 P CB 0.876 32.573 31.700 -0.006 0.000 0.881 308 A N 2.615 125.438 122.820 0.005 0.000 2.309 308 A HA 0.211 4.531 4.320 -0.000 0.000 0.290 308 A C 1.525 179.060 177.584 -0.080 0.000 1.206 308 A CA -0.556 51.461 52.037 -0.034 0.000 0.850 308 A CB -0.400 18.640 19.000 0.066 0.000 1.118 308 A HN 0.759 nan 8.150 nan 0.000 0.523 309 C N 2.119 121.330 119.300 -0.147 0.000 2.543 309 C HA 0.326 4.786 4.460 -0.000 0.000 0.281 309 C C 1.368 176.260 174.990 -0.165 0.000 1.276 309 C CA 1.814 60.754 59.018 -0.131 0.000 1.700 309 C CB -0.258 27.405 27.740 -0.127 0.000 2.093 309 C HN 1.002 nan 8.230 nan 0.000 0.488 310 T N -2.871 111.485 114.554 -0.331 0.000 2.653 310 T HA 0.496 4.846 4.350 -0.000 0.000 0.306 310 T C -2.259 172.036 174.700 -0.674 0.000 1.426 310 T CA -0.425 61.491 62.100 -0.307 0.000 1.008 310 T CB 0.998 69.803 68.868 -0.105 0.000 1.692 310 T HN 0.559 nan 8.240 nan 0.000 0.483 311 H N -0.222 118.827 119.070 -0.036 0.000 3.012 311 H HA 0.727 5.283 4.556 -0.001 0.000 0.367 311 H C 0.437 175.766 175.328 0.000 0.000 1.211 311 H CA 0.382 56.411 56.048 -0.032 0.000 1.139 311 H CB 1.588 31.341 29.762 -0.016 0.000 1.838 311 H HN 0.824 nan 8.280 nan 0.000 0.550 312 S N -0.132 115.647 115.700 0.132 0.000 4.110 312 S HA -0.319 4.151 4.470 -0.000 0.000 0.573 312 S C 1.809 176.445 174.600 0.060 0.000 1.936 312 S CA 1.941 60.214 58.200 0.121 0.000 4.227 312 S CB -1.265 62.022 63.200 0.145 0.000 0.327 312 S HN 0.686 nan 8.310 nan 0.000 0.532 313 V N 2.555 122.488 119.914 0.031 0.000 2.594 313 V HA -0.040 4.080 4.120 -0.000 0.000 0.253 313 V C 2.105 178.127 176.094 -0.121 0.000 1.069 313 V CA 3.000 65.228 62.300 -0.120 0.000 1.082 313 V CB -0.608 31.105 31.823 -0.184 0.000 0.680 313 V HN 1.045 nan 8.190 nan 0.000 0.469 314 S N -0.243 115.516 115.700 0.097 0.000 2.597 314 S HA -0.004 4.466 4.470 -0.000 0.000 0.224 314 S C 1.580 176.243 174.600 0.105 0.000 0.955 314 S CA 0.338 58.674 58.200 0.226 0.000 0.933 314 S CB 0.086 63.480 63.200 0.323 0.000 0.788 314 S HN 0.860 nan 8.310 nan 0.000 0.488 315 Q N 1.846 121.660 119.800 0.022 0.000 2.181 315 Q HA -0.201 4.139 4.340 -0.000 0.000 0.205 315 Q C 1.349 177.348 176.000 -0.001 0.000 0.980 315 Q CA 1.758 57.532 55.803 -0.048 0.000 0.862 315 Q CB -0.791 27.892 28.738 -0.092 0.000 0.905 315 Q HN 0.668 nan 8.270 nan 0.000 0.429 316 E N 0.363 120.593 120.200 0.049 0.000 2.204 316 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 316 E C 1.903 178.545 176.600 0.071 0.000 0.990 316 E CA 0.987 57.425 56.400 0.065 0.000 0.821 316 E CB -0.038 29.712 29.700 0.084 0.000 0.750 316 E HN 0.396 nan 8.360 nan 0.000 0.477 317 M N 0.212 119.867 119.600 0.093 0.000 2.296 317 M HA -0.051 4.429 4.480 -0.000 0.000 0.265 317 M C 2.317 178.641 176.300 0.039 0.000 1.064 317 M CA 0.943 56.293 55.300 0.083 0.000 1.109 317 M CB -0.917 31.748 32.600 0.108 0.000 1.396 317 M HN 0.134 nan 8.290 nan 0.000 0.430 318 A N 0.326 123.154 122.820 0.013 0.000 1.933 318 A HA -0.150 4.169 4.320 -0.000 0.000 0.218 318 A C 2.228 179.816 177.584 0.006 0.000 1.175 318 A CA 1.487 53.520 52.037 -0.007 0.000 0.628 318 A CB -0.528 18.446 19.000 -0.043 0.000 0.814 318 A HN 0.512 nan 8.150 nan 0.000 0.444 319 M N -0.496 119.114 119.600 0.017 0.000 2.175 319 M HA -0.053 4.426 4.480 -0.000 0.000 0.264 319 M C 1.621 177.937 176.300 0.026 0.000 1.063 319 M CA 0.967 56.282 55.300 0.024 0.000 1.119 319 M CB -0.440 32.179 32.600 0.033 0.000 1.377 319 M HN 0.240 nan 8.290 nan 0.000 0.415 320 I N 0.919 121.508 120.570 0.033 0.000 2.567 320 I HA -0.180 3.989 4.170 -0.000 0.000 0.257 320 I C 2.660 178.790 176.117 0.022 0.000 1.184 320 I CA 1.773 63.093 61.300 0.032 0.000 1.451 320 I CB -1.909 36.117 38.000 0.044 0.000 1.089 320 I HN 0.441 nan 8.210 nan 0.000 0.441 321 T N -1.199 113.366 114.554 0.018 0.000 2.849 321 T HA -0.069 4.280 4.350 -0.000 0.000 0.270 321 T C 1.787 176.494 174.700 0.011 0.000 1.066 321 T CA 1.376 63.483 62.100 0.013 0.000 1.130 321 T CB -0.469 68.405 68.868 0.011 0.000 0.864 321 T HN 0.509 nan 8.240 nan 0.000 0.481 322 G N 0.665 109.472 108.800 0.012 0.000 2.199 322 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.254 322 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.254 322 G C 0.869 175.774 174.900 0.009 0.000 0.982 322 G CA 0.183 45.288 45.100 0.007 0.000 0.632 322 G HN 1.371 nan 8.290 nan 0.000 0.529 323 A N -0.823 122.008 122.820 0.019 0.000 2.390 323 A HA 0.724 5.044 4.320 -0.000 0.000 0.232 323 A C 0.742 178.353 177.584 0.046 0.000 1.233 323 A CA 0.563 52.621 52.037 0.035 0.000 0.907 323 A CB 0.259 19.281 19.000 0.037 0.000 0.967 323 A HN 1.061 nan 8.150 nan 0.000 0.512 324 L N 1.089 122.331 121.223 0.032 0.000 2.295 324 L HA 0.301 4.641 4.340 -0.000 0.000 0.288 324 L C 0.232 177.126 176.870 0.040 0.000 1.079 324 L CA 0.044 54.902 54.840 0.030 0.000 0.830 324 L CB 0.330 42.399 42.059 0.016 0.000 1.200 324 L HN 0.219 nan 8.230 nan 0.000 0.438 325 D N 3.774 124.209 120.400 0.057 0.000 2.194 325 D HA 0.110 4.750 4.640 -0.000 0.000 0.204 325 D C 0.288 176.615 176.300 0.046 0.000 0.964 325 D CA 1.022 55.063 54.000 0.069 0.000 0.846 325 D CB 0.464 41.337 40.800 0.122 0.000 0.962 325 D HN 0.547 nan 8.370 nan 0.000 0.490 326 A N 0.169 123.008 122.820 0.031 0.000 2.549 326 A HA 0.616 4.936 4.320 -0.000 0.000 0.297 326 A C -1.252 176.340 177.584 0.013 0.000 1.061 326 A CA -0.604 51.445 52.037 0.020 0.000 0.690 326 A CB 2.026 21.032 19.000 0.011 0.000 1.287 326 A HN 0.058 nan 8.150 nan 0.000 0.402 327 M N 3.522 123.134 119.600 0.019 0.000 2.046 327 M HA 0.553 5.033 4.480 -0.000 0.000 0.309 327 M C -1.902 174.408 176.300 0.016 0.000 0.935 327 M CA -0.456 54.862 55.300 0.030 0.000 0.915 327 M CB 0.316 32.952 32.600 0.060 0.000 1.474 327 M HN 0.599 nan 8.290 nan 0.000 0.415 328 I N 6.471 127.037 120.570 -0.007 0.000 2.312 328 I HA 0.344 4.514 4.170 -0.000 0.000 0.290 328 I C -0.844 175.233 176.117 -0.067 0.000 1.008 328 I CA -0.521 60.749 61.300 -0.049 0.000 1.226 328 I CB 0.894 38.844 38.000 -0.083 0.000 1.371 328 I HN 0.636 nan 8.210 nan 0.000 0.468 329 L N 5.843 127.018 121.223 -0.080 0.000 2.334 329 L HA 0.459 4.798 4.340 -0.000 0.000 0.273 329 L C 0.118 176.902 176.870 -0.143 0.000 1.013 329 L CA -0.561 54.212 54.840 -0.111 0.000 0.816 329 L CB 1.695 43.705 42.059 -0.082 0.000 1.278 329 L HN 0.593 nan 8.230 nan 0.000 0.431 330 D N 0.250 120.526 120.400 -0.205 0.000 3.154 330 D HA 0.132 4.771 4.640 -0.000 0.000 0.278 330 D C -0.597 175.616 176.300 -0.146 0.000 1.460 330 D CA 0.524 54.361 54.000 -0.271 0.000 1.114 330 D CB 0.158 40.632 40.800 -0.543 0.000 1.151 330 D HN 0.352 nan 8.370 nan 0.000 0.376 331 Y N -2.387 117.939 120.300 0.043 0.000 2.641 331 Y HA 0.565 5.115 4.550 -0.000 0.000 0.333 331 Y C -1.340 174.612 175.900 0.088 0.000 1.174 331 Y CA -1.758 56.366 58.100 0.041 0.000 1.057 331 Y CB 0.366 38.848 38.460 0.037 0.000 1.322 331 Y HN 0.148 nan 8.280 nan 0.000 0.457 332 Q N 0.189 120.139 119.800 0.250 0.000 3.195 332 Q HA -0.054 4.286 4.340 -0.000 0.000 0.038 332 Q C -0.228 175.871 176.000 0.166 0.000 1.688 332 Q CA 0.573 56.438 55.803 0.103 0.000 0.257 332 Q CB -1.166 27.416 28.738 -0.260 0.000 0.583 332 Q HN 1.519 nan 8.270 nan 0.000 0.322 333 C N 0.109 119.506 119.300 0.161 0.000 4.497 333 C HA -0.211 4.249 4.460 -0.000 0.000 0.268 333 C C 0.643 175.730 174.990 0.161 0.000 1.343 333 C CA 0.675 59.823 59.018 0.216 0.000 1.742 333 C CB -2.161 25.763 27.740 0.306 0.000 1.450 333 C HN 0.570 nan 8.230 nan 0.000 0.733 334 I N 1.475 122.057 120.570 0.020 0.000 2.301 334 I HA 0.179 4.349 4.170 -0.000 0.000 0.292 334 I C 0.806 176.952 176.117 0.049 0.000 1.046 334 I CA 0.534 61.793 61.300 -0.069 0.000 1.282 334 I CB 0.489 38.328 38.000 -0.268 0.000 1.409 334 I HN 0.278 nan 8.210 nan 0.000 0.484 335 Q N 8.685 128.547 119.800 0.104 0.000 2.247 335 Q HA 0.019 4.359 4.340 -0.000 0.000 0.288 335 Q C -1.258 174.772 176.000 0.049 0.000 1.079 335 Q CA -1.128 54.713 55.803 0.062 0.000 0.932 335 Q CB 0.551 29.319 28.738 0.051 0.000 1.133 335 Q HN 0.447 nan 8.270 nan 0.000 0.377 336 P HA -0.164 nan 4.420 nan 0.000 0.230 336 P C 0.993 178.312 177.300 0.032 0.000 1.158 336 P CA 0.993 64.111 63.100 0.030 0.000 0.769 336 P CB 0.214 31.927 31.700 0.022 0.000 0.807 337 S N 0.570 116.290 115.700 0.033 0.000 2.420 337 S HA -0.184 4.286 4.470 -0.000 0.000 0.237 337 S C 2.033 176.659 174.600 0.042 0.000 1.023 337 S CA 1.656 59.876 58.200 0.035 0.000 0.991 337 S CB -2.051 61.169 63.200 0.033 0.000 0.792 337 S HN 0.183 nan 8.310 nan 0.000 0.488 338 V N 0.438 120.383 119.914 0.052 0.000 2.469 338 V HA -0.057 4.063 4.120 -0.000 0.000 0.251 338 V C 2.695 178.818 176.094 0.048 0.000 1.064 338 V CA 1.552 63.887 62.300 0.059 0.000 1.066 338 V CB -1.862 30.011 31.823 0.083 0.000 0.667 338 V HN 0.574 nan 8.190 nan 0.000 0.461 339 A N 0.368 123.213 122.820 0.041 0.000 1.972 339 A HA -0.115 4.204 4.320 -0.000 0.000 0.219 339 A C 2.320 179.923 177.584 0.033 0.000 1.169 339 A CA 2.449 54.508 52.037 0.036 0.000 0.635 339 A CB -1.055 17.965 19.000 0.033 0.000 0.810 339 A HN 0.590 nan 8.150 nan 0.000 0.446 340 T N -0.055 114.518 114.554 0.032 0.000 2.894 340 T HA 0.057 4.406 4.350 -0.000 0.000 0.258 340 T C 1.776 176.494 174.700 0.031 0.000 1.043 340 T CA 1.144 63.261 62.100 0.029 0.000 1.141 340 T CB -0.312 68.573 68.868 0.028 0.000 0.873 340 T HN 0.404 nan 8.240 nan 0.000 0.449 341 I N 1.771 122.363 120.570 0.036 0.000 2.335 341 I HA -0.185 3.984 4.170 -0.000 0.000 0.251 341 I C 2.886 179.023 176.117 0.033 0.000 1.129 341 I CA 0.906 62.229 61.300 0.038 0.000 1.402 341 I CB -0.480 37.547 38.000 0.045 0.000 1.069 341 I HN 0.184 nan 8.210 nan 0.000 0.424 342 A N 0.851 123.691 122.820 0.034 0.000 1.986 342 A HA -0.255 4.064 4.320 -0.000 0.000 0.220 342 A C 2.145 179.744 177.584 0.025 0.000 1.171 342 A CA 1.893 53.948 52.037 0.030 0.000 0.640 342 A CB -0.597 18.422 19.000 0.032 0.000 0.811 342 A HN 0.520 nan 8.150 nan 0.000 0.451 343 E N -0.875 119.339 120.200 0.024 0.000 2.153 343 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 343 E C 1.942 178.553 176.600 0.017 0.000 0.988 343 E CA 1.319 57.731 56.400 0.020 0.000 0.811 343 E CB -0.402 29.309 29.700 0.019 0.000 0.746 343 E HN 0.751 nan 8.360 nan 0.000 0.466 344 C N 0.121 119.433 119.300 0.020 0.000 2.492 344 C HA -0.008 4.452 4.460 -0.000 0.000 0.279 344 C C 2.880 177.880 174.990 0.016 0.000 1.335 344 C CA 1.108 60.137 59.018 0.018 0.000 1.734 344 C CB -0.814 26.940 27.740 0.023 0.000 2.027 344 C HN 0.592 nan 8.230 nan 0.000 0.496 345 T N -2.951 111.614 114.554 0.018 0.000 3.022 345 T HA 0.377 4.727 4.350 -0.000 0.000 0.250 345 T C 1.578 176.285 174.700 0.012 0.000 1.060 345 T CA 1.320 63.430 62.100 0.016 0.000 1.013 345 T CB 0.093 68.974 68.868 0.022 0.000 0.982 345 T HN 0.873 nan 8.240 nan 0.000 0.508 346 G N 1.202 110.009 108.800 0.013 0.000 2.176 346 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.253 346 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.253 346 G C 0.245 175.155 174.900 0.017 0.000 0.979 346 G CA 0.184 45.290 45.100 0.010 0.000 0.641 346 G HN 0.737 nan 8.290 nan 0.000 0.530 347 T N 2.098 116.665 114.554 0.022 0.000 2.940 347 T HA 0.431 4.780 4.350 -0.000 0.000 0.309 347 T C 0.633 175.349 174.700 0.028 0.000 1.056 347 T CA 1.005 63.121 62.100 0.027 0.000 1.137 347 T CB 1.051 69.937 68.868 0.029 0.000 0.976 347 T HN 0.235 nan 8.240 nan 0.000 0.547 348 T N 3.731 118.302 114.554 0.029 0.000 2.727 348 T HA 0.339 4.689 4.350 -0.000 0.000 0.298 348 T C 0.177 174.893 174.700 0.027 0.000 0.942 348 T CA -0.512 61.604 62.100 0.027 0.000 0.997 348 T CB 0.309 69.193 68.868 0.026 0.000 0.917 348 T HN 0.321 nan 8.240 nan 0.000 0.487 349 V N 6.177 126.109 119.914 0.030 0.000 2.406 349 V HA 0.431 4.551 4.120 -0.000 0.000 0.272 349 V C 0.120 176.231 176.094 0.028 0.000 1.043 349 V CA -0.572 61.748 62.300 0.032 0.000 0.915 349 V CB 0.721 32.568 31.823 0.040 0.000 0.988 349 V HN 0.770 nan 8.190 nan 0.000 0.466 350 I N 4.784 125.363 120.570 0.015 0.000 2.418 350 I HA 0.399 4.568 4.170 -0.000 0.000 0.287 350 I C 0.439 176.552 176.117 -0.006 0.000 1.008 350 I CA -0.353 60.948 61.300 0.003 0.000 1.104 350 I CB 2.265 40.254 38.000 -0.018 0.000 1.264 350 I HN 0.670 nan 8.210 nan 0.000 0.438 351 T N 0.279 114.852 114.554 0.031 0.000 2.918 351 T HA 0.452 4.802 4.350 -0.000 0.000 0.283 351 T C 0.677 175.319 174.700 -0.096 0.000 1.001 351 T CA -0.128 62.012 62.100 0.067 0.000 1.041 351 T CB 1.767 70.786 68.868 0.253 0.000 1.028 351 T HN 0.760 nan 8.240 nan 0.000 0.511 352 T N -2.268 112.257 114.554 -0.049 0.000 3.046 352 T HA 0.316 4.666 4.350 -0.000 0.000 0.270 352 T C 0.332 175.089 174.700 0.096 0.000 0.920 352 T CA -0.514 61.513 62.100 -0.121 0.000 0.874 352 T CB 0.232 69.053 68.868 -0.078 0.000 1.214 352 T HN 0.459 nan 8.240 nan 0.000 0.536 353 M N 1.833 121.580 119.600 0.244 0.000 2.364 353 M HA 0.531 5.010 4.480 -0.000 0.000 0.334 353 M C 0.765 177.222 176.300 0.263 0.000 1.107 353 M CA -0.675 54.774 55.300 0.249 0.000 0.988 353 M CB 1.798 34.552 32.600 0.258 0.000 1.673 353 M HN -0.055 nan 8.290 nan 0.000 0.441 354 E N 2.446 122.743 120.200 0.161 0.000 2.153 354 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 354 E C 1.220 177.820 176.600 0.001 0.000 0.988 354 E CA 1.420 57.853 56.400 0.056 0.000 0.811 354 E CB 0.015 29.733 29.700 0.029 0.000 0.746 354 E HN 0.681 nan 8.360 nan 0.000 0.466 355 M N -1.783 117.834 119.600 0.027 0.000 2.505 355 M HA 0.207 4.687 4.480 -0.000 0.000 0.230 355 M C 0.461 176.777 176.300 0.027 0.000 1.153 355 M CA -0.021 55.278 55.300 -0.001 0.000 0.997 355 M CB 0.670 33.249 32.600 -0.035 0.000 1.606 355 M HN -0.237 nan 8.290 nan 0.000 0.481 356 S N 0.840 116.583 115.700 0.071 0.000 2.381 356 S HA 0.492 4.962 4.470 -0.000 0.000 0.193 356 S C -0.900 173.748 174.600 0.079 0.000 1.287 356 S CA -0.758 57.495 58.200 0.088 0.000 1.199 356 S CB 0.308 63.609 63.200 0.168 0.000 1.214 356 S HN 0.423 nan 8.310 nan 0.000 0.444 357 K N 2.530 122.943 120.400 0.022 0.000 2.221 357 K HA 0.687 5.007 4.320 -0.000 0.000 0.243 357 K C -0.907 175.704 176.600 0.019 0.000 0.968 357 K CA -0.887 55.404 56.287 0.007 0.000 0.846 357 K CB 1.812 34.254 32.500 -0.097 0.000 1.141 357 K HN 0.445 nan 8.250 nan 0.000 0.434 358 I N 1.338 121.926 120.570 0.030 0.000 2.478 358 I HA 0.124 4.293 4.170 -0.000 0.000 0.287 358 I C -0.323 175.808 176.117 0.022 0.000 1.042 358 I CA -0.818 60.497 61.300 0.025 0.000 1.067 358 I CB 2.140 40.159 38.000 0.032 0.000 1.233 358 I HN 0.518 nan 8.210 nan 0.000 0.431 359 T N 4.566 119.128 114.554 0.013 0.000 2.905 359 T HA 0.193 4.543 4.350 -0.000 0.000 0.299 359 T C 1.197 175.909 174.700 0.020 0.000 1.024 359 T CA 1.374 63.482 62.100 0.012 0.000 1.151 359 T CB 0.549 69.422 68.868 0.007 0.000 0.987 359 T HN 1.144 nan 8.240 nan 0.000 0.535 360 G N 1.700 110.514 108.800 0.023 0.000 2.217 360 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.246 360 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.246 360 G C 0.236 175.156 174.900 0.033 0.000 0.990 360 G CA -0.044 45.072 45.100 0.026 0.000 0.627 360 G HN 1.184 nan 8.290 nan 0.000 0.522 361 A N 0.233 123.077 122.820 0.041 0.000 2.293 361 A HA 0.764 5.084 4.320 -0.000 0.000 0.302 361 A C 0.610 178.233 177.584 0.066 0.000 1.119 361 A CA 0.747 52.815 52.037 0.051 0.000 0.823 361 A CB 0.608 19.641 19.000 0.056 0.000 1.097 361 A HN 0.688 nan 8.150 nan 0.000 0.491 362 T N 1.551 116.141 114.554 0.061 0.000 2.901 362 T HA 0.301 4.651 4.350 -0.000 0.000 0.301 362 T C -0.284 174.479 174.700 0.104 0.000 1.012 362 T CA 0.723 62.865 62.100 0.070 0.000 1.135 362 T CB -0.061 68.833 68.868 0.043 0.000 0.936 362 T HN 0.663 nan 8.240 nan 0.000 0.539 363 H N 2.094 121.178 119.070 0.023 0.000 2.476 363 H HA 0.558 5.114 4.556 -0.000 0.000 0.328 363 H C -1.149 174.200 175.328 0.036 0.000 1.073 363 H CA -0.542 55.523 56.048 0.028 0.000 1.229 363 H CB 0.645 30.423 29.762 0.026 0.000 1.432 363 H HN 0.323 nan 8.280 nan 0.000 0.477 364 V N 5.906 125.575 119.914 -0.409 0.000 2.349 364 V HA 0.142 4.262 4.120 -0.000 0.000 0.284 364 V C 0.212 176.109 176.094 -0.329 0.000 1.014 364 V CA -1.010 61.155 62.300 -0.225 0.000 0.826 364 V CB 0.873 32.646 31.823 -0.083 0.000 1.009 364 V HN 0.897 nan 8.190 nan 0.000 0.431 365 N N 3.117 121.698 118.700 -0.199 0.000 2.412 365 N HA 0.115 4.855 4.740 -0.000 0.000 0.258 365 N C -1.008 174.535 175.510 0.056 0.000 1.236 365 N CA -0.003 53.021 53.050 -0.043 0.000 0.882 365 N CB 0.374 38.904 38.487 0.071 0.000 1.066 365 N HN 0.585 nan 8.380 nan 0.000 0.465 366 F N 3.483 123.406 119.950 -0.044 0.000 2.426 366 F HA 0.604 5.131 4.527 -0.001 0.000 0.348 366 F C -0.565 175.265 175.800 0.050 0.000 1.124 366 F CA -0.698 57.305 58.000 0.005 0.000 1.008 366 F CB 0.864 39.871 39.000 0.011 0.000 1.139 366 F HN 0.409 nan 8.300 nan 0.000 0.452 367 A N 4.814 127.392 122.820 -0.404 0.000 2.342 367 A HA 0.515 4.834 4.320 -0.000 0.000 0.323 367 A C 0.448 177.805 177.584 -0.379 0.000 1.125 367 A CA -0.594 51.294 52.037 -0.248 0.000 0.785 367 A CB 0.958 19.879 19.000 -0.131 0.000 1.221 367 A HN 0.825 nan 8.150 nan 0.000 0.463 368 E N 1.157 121.275 120.200 -0.137 0.000 2.204 368 E HA -0.140 4.209 4.350 -0.000 0.000 0.194 368 E C 0.949 177.588 176.600 0.065 0.000 0.989 368 E CA 1.641 58.054 56.400 0.022 0.000 0.824 368 E CB -0.018 29.680 29.700 -0.005 0.000 0.756 368 E HN 0.821 nan 8.360 nan 0.000 0.477 369 E N 0.050 120.241 120.200 -0.015 0.000 2.338 369 E HA -0.040 4.309 4.350 -0.000 0.000 0.197 369 E C 0.800 177.379 176.600 -0.035 0.000 1.007 369 E CA 1.126 57.526 56.400 0.001 0.000 0.849 369 E CB 0.166 29.858 29.700 -0.013 0.000 0.774 369 E HN 0.257 nan 8.360 nan 0.000 0.506 370 A N -0.343 122.412 122.820 -0.108 0.000 2.594 370 A HA 0.639 4.959 4.320 -0.000 0.000 0.292 370 A C 1.538 179.001 177.584 -0.201 0.000 1.026 370 A CA 0.300 52.263 52.037 -0.125 0.000 0.983 370 A CB 0.078 19.012 19.000 -0.110 0.000 1.233 370 A HN 0.171 nan 8.150 nan 0.000 0.519 371 A N -0.273 122.408 122.820 -0.232 0.000 1.883 371 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 371 A C 2.000 179.538 177.584 -0.076 0.000 1.186 371 A CA 2.208 54.038 52.037 -0.344 0.000 0.624 371 A CB -0.650 18.299 19.000 -0.086 0.000 0.822 371 A HN 0.536 nan 8.150 nan 0.000 0.444 372 V N 0.007 119.889 119.914 -0.054 0.000 2.307 372 V HA -0.261 3.858 4.120 -0.000 0.000 0.245 372 V C 2.432 178.524 176.094 -0.004 0.000 1.045 372 V CA 2.317 64.607 62.300 -0.018 0.000 1.024 372 V CB -0.843 30.957 31.823 -0.039 0.000 0.651 372 V HN 0.655 nan 8.190 nan 0.000 0.449 373 E N 0.218 120.403 120.200 -0.025 0.000 2.077 373 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 373 E C 2.086 178.688 176.600 0.003 0.000 0.989 373 E CA 1.400 57.791 56.400 -0.015 0.000 0.800 373 E CB -0.230 29.454 29.700 -0.026 0.000 0.746 373 E HN 0.562 nan 8.360 nan 0.000 0.452 374 N N 0.797 119.493 118.700 -0.006 0.000 2.188 374 N HA -0.119 4.620 4.740 -0.000 0.000 0.184 374 N C 1.674 177.268 175.510 0.140 0.000 1.018 374 N CA 1.258 54.338 53.050 0.050 0.000 0.858 374 N CB -0.393 38.090 38.487 -0.006 0.000 0.989 374 N HN 0.140 nan 8.380 nan 0.000 0.426 375 A N 1.504 124.436 122.820 0.187 0.000 1.902 375 A HA -0.144 4.175 4.320 -0.000 0.000 0.217 375 A C 2.124 179.743 177.584 0.057 0.000 1.181 375 A CA 1.370 53.495 52.037 0.148 0.000 0.623 375 A CB -0.392 18.696 19.000 0.146 0.000 0.818 375 A HN 0.233 nan 8.150 nan 0.000 0.443 376 K N -0.757 119.665 120.400 0.037 0.000 2.063 376 K HA -0.237 4.083 4.320 -0.000 0.000 0.208 376 K C 2.413 179.021 176.600 0.014 0.000 1.048 376 K CA 1.710 58.005 56.287 0.013 0.000 0.928 376 K CB -0.190 32.312 32.500 0.004 0.000 0.713 376 K HN 0.711 nan 8.250 nan 0.000 0.442 377 Q N 1.070 120.882 119.800 0.021 0.000 2.050 377 Q HA -0.176 4.163 4.340 -0.000 0.000 0.202 377 Q C 2.063 178.074 176.000 0.017 0.000 0.980 377 Q CA 1.448 57.262 55.803 0.017 0.000 0.840 377 Q CB -0.055 28.695 28.738 0.019 0.000 0.898 377 Q HN 0.309 nan 8.270 nan 0.000 0.424 378 I N 0.456 121.040 120.570 0.024 0.000 2.179 378 I HA -0.308 3.861 4.170 -0.000 0.000 0.242 378 I C 2.175 178.294 176.117 0.003 0.000 1.088 378 I CA 1.001 62.308 61.300 0.012 0.000 1.357 378 I CB -0.156 37.851 38.000 0.011 0.000 1.051 378 I HN 0.274 nan 8.210 nan 0.000 0.409 379 L N -0.056 121.168 121.223 0.001 0.000 2.217 379 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 379 L C 2.635 179.504 176.870 -0.002 0.000 1.107 379 L CA 0.991 55.826 54.840 -0.008 0.000 0.783 379 L CB -0.480 41.567 42.059 -0.019 0.000 0.919 379 L HN 0.134 nan 8.230 nan 0.000 0.442 380 R N -0.046 120.456 120.500 0.003 0.000 2.120 380 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 380 R C 2.263 178.574 176.300 0.018 0.000 1.123 380 R CA 1.047 57.152 56.100 0.009 0.000 0.975 380 R CB -0.307 29.998 30.300 0.008 0.000 0.866 380 R HN 0.328 nan 8.270 nan 0.000 0.446 381 L N 0.010 121.243 121.223 0.017 0.000 2.042 381 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 381 L C 2.649 179.538 176.870 0.031 0.000 1.076 381 L CA 1.324 56.178 54.840 0.022 0.000 0.749 381 L CB -0.619 41.450 42.059 0.017 0.000 0.893 381 L HN 0.265 nan 8.230 nan 0.000 0.432 382 A N 0.390 123.225 122.820 0.026 0.000 1.877 382 A HA -0.176 4.143 4.320 -0.000 0.000 0.216 382 A C 2.191 179.816 177.584 0.069 0.000 1.186 382 A CA 1.507 53.567 52.037 0.038 0.000 0.620 382 A CB -0.630 18.379 19.000 0.015 0.000 0.822 382 A HN 0.342 nan 8.150 nan 0.000 0.443 383 I N 0.057 120.656 120.570 0.049 0.000 2.226 383 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 383 I C 1.809 178.001 176.117 0.124 0.000 1.100 383 I CA 1.489 62.834 61.300 0.075 0.000 1.374 383 I CB -0.519 37.495 38.000 0.023 0.000 1.057 383 I HN 0.247 nan 8.210 nan 0.000 0.413 384 D N 0.442 120.889 120.400 0.079 0.000 2.149 384 D HA -0.154 4.485 4.640 -0.000 0.000 0.198 384 D C 2.214 178.558 176.300 0.073 0.000 0.990 384 D CA 1.629 55.670 54.000 0.068 0.000 0.839 384 D CB -0.398 40.427 40.800 0.042 0.000 0.948 384 D HN 0.306 nan 8.370 nan 0.000 0.460 385 T N 0.411 115.012 114.554 0.079 0.000 2.812 385 T HA -0.110 4.240 4.350 -0.000 0.000 0.264 385 T C 1.690 176.437 174.700 0.078 0.000 1.042 385 T CA 0.435 62.572 62.100 0.063 0.000 1.140 385 T CB -0.440 68.463 68.868 0.059 0.000 0.870 385 T HN 0.139 nan 8.240 nan 0.000 0.445 386 F N 2.355 122.303 119.950 -0.003 0.000 2.091 386 F HA -0.158 4.368 4.527 -0.001 0.000 0.299 386 F C 2.140 177.938 175.800 -0.003 0.000 1.103 386 F CA 1.454 59.452 58.000 -0.004 0.000 1.228 386 F CB -0.177 38.819 39.000 -0.006 0.000 0.984 386 F HN -0.022 nan 8.300 nan 0.000 0.477 387 K N -0.117 120.319 120.400 0.059 0.000 2.147 387 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 387 K C 2.202 178.732 176.600 -0.117 0.000 1.049 387 K CA 1.321 57.584 56.287 -0.040 0.000 0.936 387 K CB -0.239 32.299 32.500 0.063 0.000 0.722 387 K HN 0.315 nan 8.250 nan 0.000 0.446 388 R N 0.874 121.328 120.500 -0.076 0.000 2.148 388 R HA -0.090 4.250 4.340 -0.000 0.000 0.227 388 R C 1.813 178.047 176.300 -0.110 0.000 1.103 388 R CA 1.063 57.122 56.100 -0.069 0.000 0.983 388 R CB 0.012 30.293 30.300 -0.032 0.000 0.874 388 R HN 0.231 nan 8.270 nan 0.000 0.451 389 R N 1.478 121.870 120.500 -0.179 0.000 2.426 389 R HA 0.084 4.424 4.340 -0.000 0.000 0.263 389 R C -0.595 175.551 176.300 -0.257 0.000 0.961 389 R CA -0.224 55.764 56.100 -0.187 0.000 1.086 389 R CB -0.051 30.152 30.300 -0.162 0.000 1.186 389 R HN -0.028 nan 8.270 nan 0.000 0.537 390 K N 0.598 120.826 120.400 -0.286 0.000 2.451 390 K HA 0.243 4.563 4.320 -0.000 0.000 0.280 390 K C 0.638 177.157 176.600 -0.136 0.000 1.020 390 K CA 0.465 56.607 56.287 -0.241 0.000 1.008 390 K CB 0.583 32.972 32.500 -0.184 0.000 0.917 390 K HN 0.239 nan 8.250 nan 0.000 0.478 391 G N 1.806 110.539 108.800 -0.111 0.000 2.179 391 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 391 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 391 G C -0.335 174.529 174.900 -0.060 0.000 0.977 391 G CA 0.143 45.202 45.100 -0.068 0.000 0.641 391 G HN 0.604 nan 8.290 nan 0.000 0.533 392 K N 1.765 122.120 120.400 -0.076 0.000 2.201 392 K HA 0.445 4.765 4.320 -0.000 0.000 0.278 392 K C -1.919 174.654 176.600 -0.045 0.000 1.027 392 K CA -1.427 54.826 56.287 -0.056 0.000 0.909 392 K CB 1.371 33.835 32.500 -0.061 0.000 1.062 392 K HN 0.143 nan 8.250 nan 0.000 0.465 393 P HA 0.018 nan 4.420 nan 0.000 0.271 393 P C -0.557 176.733 177.300 -0.017 0.000 1.216 393 P CA -0.344 62.744 63.100 -0.020 0.000 0.776 393 P CB 0.818 32.510 31.700 -0.014 0.000 0.881 394 V N -1.058 118.850 119.914 -0.010 0.000 3.074 394 V HA 0.598 4.718 4.120 -0.000 0.000 0.314 394 V C -0.439 175.656 176.094 0.000 0.000 1.117 394 V CA -0.922 61.376 62.300 -0.004 0.000 1.014 394 V CB 2.237 34.060 31.823 0.001 0.000 1.057 394 V HN 0.613 nan 8.190 nan 0.000 0.438 395 E N 1.673 121.875 120.200 0.003 0.000 2.593 395 E HA 0.483 4.832 4.350 -0.000 0.000 0.232 395 E C -1.376 175.227 176.600 0.005 0.000 1.026 395 E CA -0.504 55.898 56.400 0.003 0.000 0.772 395 E CB 1.077 30.779 29.700 0.002 0.000 1.310 395 E HN 0.780 nan 8.360 nan 0.000 0.413 396 I N 5.234 125.807 120.570 0.005 0.000 2.297 396 I HA 0.265 4.435 4.170 -0.000 0.000 0.291 396 I C -2.070 174.048 176.117 0.001 0.000 1.033 396 I CA -2.126 59.176 61.300 0.005 0.000 1.253 396 I CB 0.945 38.949 38.000 0.008 0.000 1.396 396 I HN 0.287 nan 8.210 nan 0.000 0.476 397 P HA -0.025 nan 4.420 nan 0.000 0.265 397 P C -0.307 176.990 177.300 -0.004 0.000 1.193 397 P CA -0.085 63.013 63.100 -0.004 0.000 0.765 397 P CB 0.383 32.080 31.700 -0.006 0.000 0.823 398 N N 3.410 122.107 118.700 -0.004 0.000 3.303 398 N HA 0.177 4.917 4.740 -0.000 0.000 0.304 398 N C -1.064 174.442 175.510 -0.006 0.000 1.302 398 N CA 0.058 53.106 53.050 -0.004 0.000 1.213 398 N CB -0.926 37.559 38.487 -0.002 0.000 1.481 398 N HN 0.285 nan 8.380 nan 0.000 0.546 399 I N 1.823 122.388 120.570 -0.009 0.000 2.468 399 I HA 0.332 4.502 4.170 -0.000 0.000 0.285 399 I C -0.647 175.461 176.117 -0.016 0.000 1.039 399 I CA -0.758 60.534 61.300 -0.014 0.000 1.074 399 I CB 1.514 39.502 38.000 -0.020 0.000 1.228 399 I HN 0.207 nan 8.210 nan 0.000 0.436 400 K N 3.173 123.565 120.400 -0.014 0.000 2.579 400 K HA 0.755 5.074 4.320 -0.000 0.000 0.284 400 K C -1.187 175.409 176.600 -0.008 0.000 0.990 400 K CA -0.819 55.461 56.287 -0.011 0.000 0.880 400 K CB 2.246 34.744 32.500 -0.004 0.000 1.488 400 K HN 0.464 nan 8.250 nan 0.000 0.425 401 T N -1.809 112.746 114.554 0.000 0.000 2.930 401 T HA 0.406 4.756 4.350 -0.000 0.000 0.290 401 T C -0.691 174.022 174.700 0.022 0.000 1.052 401 T CA -1.021 61.084 62.100 0.009 0.000 1.017 401 T CB 1.710 70.587 68.868 0.015 0.000 1.137 401 T HN 0.663 nan 8.240 nan 0.000 0.511 402 K N 1.047 121.462 120.400 0.025 0.000 2.276 402 K HA 0.540 4.860 4.320 -0.000 0.000 0.283 402 K C -1.375 175.257 176.600 0.053 0.000 1.044 402 K CA -0.672 55.635 56.287 0.033 0.000 0.944 402 K CB 0.580 33.097 32.500 0.027 0.000 1.012 402 K HN 0.490 nan 8.250 nan 0.000 0.472 403 V N 5.215 125.167 119.914 0.063 0.000 2.443 403 V HA 0.221 4.341 4.120 -0.000 0.000 0.293 403 V C -0.650 175.501 176.094 0.095 0.000 1.021 403 V CA -1.002 61.354 62.300 0.093 0.000 0.848 403 V CB 1.648 33.535 31.823 0.107 0.000 0.998 403 V HN 0.554 nan 8.190 nan 0.000 0.424 404 V N 4.605 124.596 119.914 0.128 0.000 2.439 404 V HA 0.903 5.022 4.120 -0.000 0.000 0.282 404 V C 0.523 176.739 176.094 0.203 0.000 1.039 404 V CA 0.370 62.752 62.300 0.137 0.000 0.913 404 V CB 1.105 33.038 31.823 0.183 0.000 0.983 404 V HN 1.084 nan 8.190 nan 0.000 0.460 405 A N 3.160 126.011 122.820 0.051 0.000 2.733 405 A HA 0.885 5.204 4.320 -0.000 0.000 0.299 405 A C 0.763 178.132 177.584 -0.359 0.000 1.252 405 A CA -0.111 51.935 52.037 0.016 0.000 0.677 405 A CB 0.684 19.688 19.000 0.007 0.000 1.361 405 A HN 1.983 nan 8.150 nan 0.000 0.528 406 G N -1.932 106.664 108.800 -0.340 0.000 2.132 406 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.228 406 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.228 406 G C -0.184 174.457 174.900 -0.433 0.000 1.000 406 G CA 0.346 45.215 45.100 -0.386 0.000 0.693 406 G HN 0.898 nan 8.290 nan 0.000 0.515 407 F N 3.167 123.103 119.950 -0.022 0.000 2.640 407 F HA 0.413 4.940 4.527 -0.001 0.000 0.354 407 F C 1.620 177.423 175.800 0.005 0.000 1.213 407 F CA -0.010 57.995 58.000 0.009 0.000 1.314 407 F CB 0.060 39.085 39.000 0.041 0.000 1.679 407 F HN 0.311 nan 8.300 nan 0.000 0.622 408 S N -0.988 114.749 115.700 0.061 0.000 2.572 408 S HA -0.039 4.431 4.470 -0.000 0.000 0.267 408 S C 1.464 176.114 174.600 0.083 0.000 1.361 408 S CA -0.273 57.957 58.200 0.049 0.000 1.009 408 S CB 0.862 64.064 63.200 0.003 0.000 0.888 408 S HN 0.462 nan 8.310 nan 0.000 0.553 409 T N 1.653 116.239 114.554 0.054 0.000 2.788 409 T HA -0.080 4.269 4.350 -0.000 0.000 0.268 409 T C 1.577 176.311 174.700 0.058 0.000 1.044 409 T CA 1.896 64.030 62.100 0.058 0.000 1.139 409 T CB -0.534 68.354 68.868 0.033 0.000 0.867 409 T HN 0.750 nan 8.240 nan 0.000 0.454 410 E N 1.507 121.733 120.200 0.043 0.000 2.085 410 E HA -0.032 4.318 4.350 -0.000 0.000 0.194 410 E C 2.392 179.022 176.600 0.049 0.000 0.994 410 E CA 1.221 57.645 56.400 0.040 0.000 0.801 410 E CB -0.473 29.243 29.700 0.027 0.000 0.743 410 E HN 0.498 nan 8.360 nan 0.000 0.453 411 A N 0.543 123.396 122.820 0.056 0.000 1.898 411 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 411 A C 2.242 179.916 177.584 0.151 0.000 1.181 411 A CA 1.172 53.252 52.037 0.071 0.000 0.620 411 A CB -0.616 18.395 19.000 0.017 0.000 0.819 411 A HN 0.190 nan 8.150 nan 0.000 0.442 412 I N -0.368 120.310 120.570 0.180 0.000 2.179 412 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 412 I C 2.303 178.476 176.117 0.094 0.000 1.088 412 I CA 1.373 62.769 61.300 0.160 0.000 1.357 412 I CB -0.353 37.718 38.000 0.118 0.000 1.051 412 I HN 0.293 nan 8.210 nan 0.000 0.409 413 I N 0.894 121.507 120.570 0.072 0.000 2.226 413 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 413 I C 2.361 178.508 176.117 0.049 0.000 1.100 413 I CA 1.754 63.084 61.300 0.051 0.000 1.374 413 I CB -0.551 37.475 38.000 0.042 0.000 1.057 413 I HN 0.340 nan 8.210 nan 0.000 0.413 414 N N 1.259 119.991 118.700 0.053 0.000 2.120 414 N HA -0.184 4.555 4.740 -0.000 0.000 0.188 414 N C 1.821 177.363 175.510 0.054 0.000 1.024 414 N CA 1.749 54.827 53.050 0.045 0.000 0.852 414 N CB -0.103 38.407 38.487 0.039 0.000 1.003 414 N HN 0.320 nan 8.380 nan 0.000 0.424 415 A N 0.471 123.338 122.820 0.079 0.000 1.902 415 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 415 A C 2.297 179.915 177.584 0.057 0.000 1.181 415 A CA 1.185 53.272 52.037 0.084 0.000 0.623 415 A CB -0.888 18.192 19.000 0.134 0.000 0.818 415 A HN 0.389 nan 8.150 nan 0.000 0.443 416 L N 0.520 121.773 121.223 0.050 0.000 2.201 416 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 416 L C 2.874 179.761 176.870 0.029 0.000 1.105 416 L CA 1.320 56.180 54.840 0.033 0.000 0.775 416 L CB -0.360 41.716 42.059 0.029 0.000 0.913 416 L HN 0.615 nan 8.230 nan 0.000 0.440 417 S N -0.749 114.969 115.700 0.031 0.000 2.469 417 S HA -0.132 4.338 4.470 -0.000 0.000 0.238 417 S C 1.864 176.478 174.600 0.022 0.000 0.998 417 S CA 0.562 58.776 58.200 0.024 0.000 0.957 417 S CB -0.193 63.021 63.200 0.024 0.000 0.764 417 S HN 0.270 nan 8.310 nan 0.000 0.514 418 K N 1.219 121.634 120.400 0.026 0.000 2.362 418 K HA 0.197 4.517 4.320 -0.000 0.000 0.200 418 K C 1.715 178.327 176.600 0.020 0.000 1.046 418 K CA 0.644 56.945 56.287 0.023 0.000 0.952 418 K CB -0.516 32.000 32.500 0.028 0.000 0.753 418 K HN 0.490 nan 8.250 nan 0.000 0.466 419 L N -0.298 120.937 121.223 0.020 0.000 2.408 419 L HA 0.110 4.450 4.340 -0.000 0.000 0.215 419 L C 0.564 177.443 176.870 0.014 0.000 1.081 419 L CA 0.049 54.899 54.840 0.016 0.000 0.840 419 L CB 0.194 42.263 42.059 0.016 0.000 1.002 419 L HN 0.038 nan 8.230 nan 0.000 0.468 420 N N -0.241 118.468 118.700 0.015 0.000 2.664 420 N HA 0.241 4.981 4.740 -0.000 0.000 0.268 420 N C 0.273 175.791 175.510 0.014 0.000 1.222 420 N CA 0.279 53.337 53.050 0.013 0.000 0.805 420 N CB 1.685 40.180 38.487 0.013 0.000 1.399 420 N HN -0.002 nan 8.380 nan 0.000 0.547 421 A N 2.865 125.692 122.820 0.013 0.000 1.902 421 A HA -0.103 4.216 4.320 -0.000 0.000 0.217 421 A C 1.340 178.931 177.584 0.012 0.000 1.181 421 A CA 1.282 53.327 52.037 0.012 0.000 0.623 421 A CB -0.049 18.957 19.000 0.011 0.000 0.818 421 A HN 0.667 nan 8.150 nan 0.000 0.443 422 N N -0.666 118.041 118.700 0.010 0.000 2.236 422 N HA 0.058 4.798 4.740 -0.000 0.000 0.196 422 N C -0.665 174.851 175.510 0.010 0.000 1.114 422 N CA 0.355 53.410 53.050 0.009 0.000 0.859 422 N CB 0.668 39.159 38.487 0.007 0.000 0.982 422 N HN 0.372 nan 8.380 nan 0.000 0.493 423 D N -0.124 120.283 120.400 0.011 0.000 2.735 423 D HA 0.227 4.867 4.640 -0.000 0.000 0.291 423 D C -2.027 174.281 176.300 0.013 0.000 1.205 423 D CA -1.660 52.347 54.000 0.011 0.000 0.777 423 D CB 1.142 41.947 40.800 0.010 0.000 1.234 423 D HN -0.093 nan 8.370 nan 0.000 0.520 424 P HA -0.043 nan 4.420 nan 0.000 0.218 424 P C 1.724 179.035 177.300 0.018 0.000 1.149 424 P CA 0.630 63.742 63.100 0.019 0.000 0.817 424 P CB 0.437 32.150 31.700 0.022 0.000 0.785 425 L N -0.659 120.574 121.223 0.017 0.000 2.376 425 L HA -0.056 4.284 4.340 -0.000 0.000 0.219 425 L C 2.554 179.432 176.870 0.014 0.000 1.133 425 L CA 1.002 55.852 54.840 0.016 0.000 0.816 425 L CB -0.648 41.421 42.059 0.016 0.000 0.933 425 L HN -0.010 nan 8.230 nan 0.000 0.449 426 K N 0.871 121.279 120.400 0.013 0.000 2.026 426 K HA -0.147 4.172 4.320 -0.000 0.000 0.208 426 K C -0.568 176.040 176.600 0.012 0.000 1.048 426 K CA 1.310 57.604 56.287 0.012 0.000 0.929 426 K CB -0.665 31.842 32.500 0.011 0.000 0.713 426 K HN 0.143 nan 8.250 nan 0.000 0.439 427 P HA -0.175 nan 4.420 nan 0.000 0.216 427 P C 1.361 178.667 177.300 0.011 0.000 1.150 427 P CA 0.891 63.998 63.100 0.011 0.000 0.837 427 P CB -0.035 31.672 31.700 0.012 0.000 0.786 428 L N -0.468 120.762 121.223 0.010 0.000 2.017 428 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 428 L C 2.305 179.181 176.870 0.010 0.000 1.073 428 L CA 1.742 56.587 54.840 0.009 0.000 0.745 428 L CB -1.338 40.725 42.059 0.008 0.000 0.894 428 L HN -0.164 nan 8.230 nan 0.000 0.432 429 I N -0.308 120.269 120.570 0.012 0.000 2.226 429 I HA -0.286 3.883 4.170 -0.000 0.000 0.245 429 I C 2.059 178.185 176.117 0.014 0.000 1.100 429 I CA 1.258 62.565 61.300 0.013 0.000 1.374 429 I CB -0.669 37.338 38.000 0.013 0.000 1.057 429 I HN 0.274 nan 8.210 nan 0.000 0.413 430 D N 0.979 121.387 120.400 0.013 0.000 2.133 430 D HA -0.191 4.449 4.640 -0.000 0.000 0.195 430 D C 1.854 178.162 176.300 0.014 0.000 0.997 430 D CA 1.292 55.300 54.000 0.013 0.000 0.840 430 D CB -0.445 40.362 40.800 0.012 0.000 0.947 430 D HN 0.384 nan 8.370 nan 0.000 0.452 431 N N 0.060 118.768 118.700 0.014 0.000 2.416 431 N HA -0.049 4.691 4.740 -0.000 0.000 0.177 431 N C 1.930 177.451 175.510 0.018 0.000 1.036 431 N CA 0.144 53.203 53.050 0.015 0.000 0.901 431 N CB 0.445 38.939 38.487 0.012 0.000 0.976 431 N HN 0.073 nan 8.380 nan 0.000 0.444 432 V N 0.941 120.866 119.914 0.019 0.000 2.358 432 V HA -0.151 3.969 4.120 -0.000 0.000 0.246 432 V C 2.437 178.549 176.094 0.030 0.000 1.047 432 V CA 1.141 63.455 62.300 0.024 0.000 1.035 432 V CB -0.355 31.480 31.823 0.020 0.000 0.658 432 V HN 0.028 nan 8.190 nan 0.000 0.452 433 V N 2.096 122.026 119.914 0.026 0.000 2.358 433 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 433 V C 2.188 178.299 176.094 0.029 0.000 1.047 433 V CA 2.166 64.484 62.300 0.029 0.000 1.035 433 V CB -0.938 30.899 31.823 0.023 0.000 0.658 433 V HN 0.892 nan 8.190 nan 0.000 0.452 434 N N 0.515 119.229 118.700 0.023 0.000 2.461 434 N HA 0.133 4.873 4.740 -0.000 0.000 0.188 434 N C 1.320 176.844 175.510 0.023 0.000 1.134 434 N CA 1.155 54.217 53.050 0.020 0.000 0.878 434 N CB 0.410 38.906 38.487 0.015 0.000 0.972 434 N HN 0.485 nan 8.380 nan 0.000 0.456 435 G N -0.036 108.783 108.800 0.030 0.000 2.194 435 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.236 435 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.236 435 G C 0.810 175.729 174.900 0.031 0.000 0.987 435 G CA 0.261 45.383 45.100 0.036 0.000 0.635 435 G HN 0.506 nan 8.290 nan 0.000 0.520 436 N N -0.334 118.380 118.700 0.023 0.000 2.289 436 N HA 0.054 4.794 4.740 -0.000 0.000 0.184 436 N C 0.311 175.834 175.510 0.022 0.000 1.016 436 N CA 0.831 53.893 53.050 0.020 0.000 0.872 436 N CB 0.090 38.586 38.487 0.015 0.000 0.973 436 N HN 0.342 nan 8.380 nan 0.000 0.433 437 I N 0.744 121.327 120.570 0.022 0.000 2.382 437 I HA 0.145 4.314 4.170 -0.000 0.000 0.286 437 I C 1.065 177.200 176.117 0.029 0.000 1.002 437 I CA -0.175 61.138 61.300 0.022 0.000 1.135 437 I CB 1.628 39.636 38.000 0.014 0.000 1.288 437 I HN 0.041 nan 8.210 nan 0.000 0.448 438 R N 4.368 124.889 120.500 0.034 0.000 2.073 438 R HA 0.143 4.483 4.340 -0.000 0.000 0.229 438 R C 0.787 177.104 176.300 0.029 0.000 1.120 438 R CA 1.257 57.384 56.100 0.045 0.000 0.967 438 R CB 0.433 30.765 30.300 0.054 0.000 0.862 438 R HN 0.868 nan 8.270 nan 0.000 0.436 439 G N -1.424 107.384 108.800 0.013 0.000 2.427 439 G HA2 0.349 4.308 3.960 -0.000 0.000 0.306 439 G HA3 0.349 4.308 3.960 -0.000 0.000 0.306 439 G C -1.886 173.005 174.900 -0.015 0.000 1.280 439 G CA -0.611 44.486 45.100 -0.005 0.000 0.837 439 G HN 0.000 nan 8.290 nan 0.000 0.482 440 V N -0.566 119.329 119.914 -0.033 0.000 2.604 440 V HA 0.647 4.766 4.120 -0.000 0.000 0.305 440 V C -0.567 175.476 176.094 -0.085 0.000 1.043 440 V CA -0.710 61.564 62.300 -0.044 0.000 0.888 440 V CB 1.421 33.225 31.823 -0.032 0.000 0.995 440 V HN 1.059 nan 8.190 nan 0.000 0.429 441 C N 6.373 125.601 119.300 -0.120 0.000 2.396 441 C HA 0.742 5.202 4.460 -0.000 0.000 0.321 441 C C -0.597 174.233 174.990 -0.267 0.000 1.233 441 C CA -0.662 58.209 59.018 -0.245 0.000 1.440 441 C CB 0.572 28.097 27.740 -0.359 0.000 2.110 441 C HN 0.884 nan 8.230 nan 0.000 0.473 442 L N 6.615 127.689 121.223 -0.249 0.000 2.260 442 L HA 0.618 4.958 4.340 -0.000 0.000 0.289 442 L C -0.954 175.770 176.870 -0.244 0.000 1.057 442 L CA 0.301 55.043 54.840 -0.164 0.000 0.811 442 L CB 0.085 42.100 42.059 -0.074 0.000 1.184 442 L HN 0.604 nan 8.230 nan 0.000 0.429 443 F N 4.787 124.755 119.950 0.030 0.000 2.410 443 F HA 0.715 5.242 4.527 -0.001 0.000 0.348 443 F C 0.694 176.527 175.800 0.055 0.000 1.106 443 F CA 0.248 58.305 58.000 0.094 0.000 1.163 443 F CB 1.295 40.350 39.000 0.091 0.000 1.129 443 F HN 0.706 nan 8.300 nan 0.000 0.516 444 A N 1.935 124.950 122.820 0.325 0.000 2.566 444 A HA 0.892 5.212 4.320 -0.000 0.000 0.292 444 A C -0.040 177.695 177.584 0.250 0.000 1.112 444 A CA -0.232 51.909 52.037 0.173 0.000 0.707 444 A CB 1.120 20.158 19.000 0.062 0.000 1.302 444 A HN 1.564 nan 8.150 nan 0.000 0.409 445 G N -1.352 107.546 108.800 0.165 0.000 2.725 445 G HA2 0.090 4.050 3.960 -0.000 0.000 0.220 445 G HA3 0.090 4.050 3.960 -0.000 0.000 0.220 445 G C 0.224 175.278 174.900 0.257 0.000 1.357 445 G CA -0.421 44.793 45.100 0.191 0.000 0.866 445 G HN 1.847 nan 8.290 nan 0.000 0.548 446 C N 0.296 119.738 119.300 0.235 0.000 2.480 446 C HA 0.665 5.125 4.460 -0.000 0.000 0.344 446 C C 0.905 176.065 174.990 0.284 0.000 1.380 446 C CA -0.913 58.231 59.018 0.210 0.000 2.386 446 C CB 0.511 28.341 27.740 0.150 0.000 2.210 446 C HN 0.802 nan 8.230 nan 0.000 0.640 447 N N 2.001 120.828 118.700 0.211 0.000 2.458 447 N HA 0.336 5.076 4.740 -0.000 0.000 0.271 447 N C -0.797 174.745 175.510 0.053 0.000 1.210 447 N CA -0.073 53.078 53.050 0.169 0.000 0.978 447 N CB 0.708 39.293 38.487 0.164 0.000 1.206 447 N HN 0.704 nan 8.380 nan 0.000 0.536 448 N N 0.117 118.815 118.700 -0.003 0.000 2.336 448 N HA 0.075 4.814 4.740 -0.000 0.000 0.290 448 N C 0.202 175.621 175.510 -0.151 0.000 1.058 448 N CA -0.413 52.582 53.050 -0.092 0.000 0.865 448 N CB 1.842 40.273 38.487 -0.094 0.000 1.581 448 N HN 0.171 nan 8.380 nan 0.000 0.480 449 V N 4.269 124.002 119.914 -0.301 0.000 2.828 449 V HA -0.133 3.987 4.120 -0.000 0.000 0.260 449 V C 1.828 177.664 176.094 -0.429 0.000 1.101 449 V CA 1.830 63.873 62.300 -0.429 0.000 1.123 449 V CB -0.299 31.126 31.823 -0.664 0.000 0.704 449 V HN 0.628 nan 8.190 nan 0.000 0.493 450 K N -0.697 119.437 120.400 -0.443 0.000 2.365 450 K HA 0.047 4.367 4.320 -0.000 0.000 0.199 450 K C 0.416 177.005 176.600 -0.017 0.000 1.045 450 K CA 0.393 56.517 56.287 -0.272 0.000 0.962 450 K CB 0.202 32.595 32.500 -0.178 0.000 0.759 450 K HN 0.373 nan 8.250 nan 0.000 0.469 451 V N 2.805 122.714 119.914 -0.008 0.000 2.417 451 V HA 0.190 4.310 4.120 -0.000 0.000 0.291 451 V C -2.464 173.697 176.094 0.112 0.000 1.024 451 V CA -2.528 59.795 62.300 0.038 0.000 0.861 451 V CB 1.443 33.256 31.823 -0.016 0.000 0.985 451 V HN -0.036 nan 8.190 nan 0.000 0.436 452 P HA -0.026 nan 4.420 nan 0.000 0.260 452 P C -0.220 177.165 177.300 0.141 0.000 1.185 452 P CA 0.261 63.445 63.100 0.140 0.000 0.763 452 P CB 0.214 31.959 31.700 0.075 0.000 0.776 453 Q N 3.713 123.650 119.800 0.228 0.000 2.269 453 Q HA -0.113 4.227 4.340 -0.000 0.000 0.300 453 Q C 0.025 176.133 176.000 0.179 0.000 1.070 453 Q CA 0.689 56.639 55.803 0.246 0.000 0.957 453 Q CB -0.111 28.843 28.738 0.360 0.000 1.131 453 Q HN 0.477 nan 8.270 nan 0.000 0.377 454 D N 1.719 122.223 120.400 0.174 0.000 2.748 454 D HA -0.270 4.370 4.640 -0.000 0.000 0.189 454 D C 0.859 177.150 176.300 -0.015 0.000 0.982 454 D CA 1.454 55.539 54.000 0.143 0.000 1.017 454 D CB -0.813 40.044 40.800 0.095 0.000 1.076 454 D HN 0.827 nan 8.370 nan 0.000 0.446 455 Q N 0.420 120.206 119.800 -0.023 0.000 2.124 455 Q HA -0.152 4.187 4.340 -0.000 0.000 0.202 455 Q C 1.632 177.576 176.000 -0.093 0.000 0.977 455 Q CA 1.793 57.558 55.803 -0.064 0.000 0.850 455 Q CB 0.097 28.821 28.738 -0.023 0.000 0.901 455 Q HN 0.291 nan 8.270 nan 0.000 0.429 456 N N -0.346 118.275 118.700 -0.131 0.000 2.207 456 N HA -0.066 4.673 4.740 -0.000 0.000 0.182 456 N C 1.408 176.773 175.510 -0.242 0.000 1.020 456 N CA 1.023 53.966 53.050 -0.179 0.000 0.858 456 N CB -0.428 37.923 38.487 -0.227 0.000 0.991 456 N HN 0.242 nan 8.380 nan 0.000 0.427 457 F N 1.314 121.117 119.950 -0.245 0.000 2.095 457 F HA -0.225 4.301 4.527 -0.001 0.000 0.298 457 F C 2.695 178.103 175.800 -0.654 0.000 1.104 457 F CA 1.647 59.325 58.000 -0.537 0.000 1.232 457 F CB -0.763 37.920 39.000 -0.528 0.000 0.987 457 F HN 0.157 nan 8.300 nan 0.000 0.475 458 T N -3.910 110.464 114.554 -0.300 0.000 2.857 458 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 458 T C 1.831 176.442 174.700 -0.147 0.000 1.048 458 T CA 1.607 63.489 62.100 -0.363 0.000 1.139 458 T CB -0.912 67.805 68.868 -0.252 0.000 0.874 458 T HN 0.144 nan 8.240 nan 0.000 0.455 459 T N 2.254 116.746 114.554 -0.102 0.000 2.708 459 T HA 0.107 4.456 4.350 -0.000 0.000 0.266 459 T C 1.920 176.613 174.700 -0.012 0.000 1.037 459 T CA 1.414 63.495 62.100 -0.033 0.000 1.146 459 T CB -0.436 68.411 68.868 -0.035 0.000 0.865 459 T HN 0.400 nan 8.240 nan 0.000 0.435 460 I N 1.260 121.811 120.570 -0.032 0.000 2.202 460 I HA -0.116 4.053 4.170 -0.000 0.000 0.242 460 I C 2.945 179.151 176.117 0.148 0.000 1.091 460 I CA 1.013 62.356 61.300 0.073 0.000 1.368 460 I CB -0.519 37.584 38.000 0.171 0.000 1.058 460 I HN 0.171 nan 8.210 nan 0.000 0.410 461 A N 0.988 123.800 122.820 -0.014 0.000 1.908 461 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 461 A C 2.410 180.102 177.584 0.180 0.000 1.181 461 A CA 1.584 53.657 52.037 0.060 0.000 0.627 461 A CB -0.613 18.140 19.000 -0.413 0.000 0.818 461 A HN 0.307 nan 8.150 nan 0.000 0.445 462 R N -0.681 119.929 120.500 0.184 0.000 2.091 462 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 462 R C 2.376 178.758 176.300 0.137 0.000 1.136 462 R CA 1.855 58.086 56.100 0.219 0.000 0.959 462 R CB -0.257 30.152 30.300 0.182 0.000 0.856 462 R HN 0.594 nan 8.270 nan 0.000 0.437 463 K N 0.936 121.399 120.400 0.105 0.000 2.057 463 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 463 K C 1.980 178.632 176.600 0.087 0.000 1.050 463 K CA 1.063 57.398 56.287 0.079 0.000 0.935 463 K CB -0.030 32.505 32.500 0.057 0.000 0.715 463 K HN 0.081 nan 8.250 nan 0.000 0.439 464 L N 0.581 121.871 121.223 0.112 0.000 2.056 464 L HA -0.161 4.178 4.340 -0.000 0.000 0.207 464 L C 2.341 179.273 176.870 0.102 0.000 1.078 464 L CA 1.013 55.914 54.840 0.103 0.000 0.749 464 L CB -0.470 41.666 42.059 0.128 0.000 0.901 464 L HN 0.221 nan 8.230 nan 0.000 0.433 465 L N -0.383 120.920 121.223 0.133 0.000 2.046 465 L HA -0.182 4.157 4.340 -0.000 0.000 0.208 465 L C 2.690 179.608 176.870 0.079 0.000 1.077 465 L CA 1.036 55.945 54.840 0.115 0.000 0.747 465 L CB -0.495 41.656 42.059 0.153 0.000 0.896 465 L HN 0.188 nan 8.230 nan 0.000 0.432 466 K N -0.077 120.368 120.400 0.075 0.000 2.209 466 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 466 K C 1.644 178.273 176.600 0.049 0.000 1.048 466 K CA 0.942 57.261 56.287 0.053 0.000 0.940 466 K CB -0.100 32.429 32.500 0.048 0.000 0.729 466 K HN 0.373 nan 8.250 nan 0.000 0.451 467 Q N 0.704 120.537 119.800 0.056 0.000 2.247 467 Q HA 0.064 4.404 4.340 -0.000 0.000 0.205 467 Q C -0.425 175.605 176.000 0.051 0.000 0.896 467 Q CA -0.099 55.736 55.803 0.054 0.000 0.950 467 Q CB 0.164 28.936 28.738 0.058 0.000 1.054 467 Q HN 0.223 nan 8.270 nan 0.000 0.482 468 N N -0.516 118.212 118.700 0.048 0.000 2.776 468 N HA -0.136 4.603 4.740 -0.000 0.000 0.250 468 N C -0.685 174.847 175.510 0.038 0.000 1.112 468 N CA 0.400 53.474 53.050 0.041 0.000 0.733 468 N CB -1.723 36.786 38.487 0.036 0.000 1.097 468 N HN 0.039 nan 8.380 nan 0.000 0.558 469 V N 1.342 121.282 119.914 0.043 0.000 2.530 469 V HA 0.187 4.307 4.120 -0.000 0.000 0.282 469 V C 0.963 177.077 176.094 0.033 0.000 1.048 469 V CA -0.707 61.611 62.300 0.031 0.000 0.997 469 V CB 1.465 33.305 31.823 0.027 0.000 0.987 469 V HN 0.224 nan 8.190 nan 0.000 0.477 470 L N 7.398 128.630 121.223 0.014 0.000 2.433 470 L HA 0.300 4.640 4.340 -0.000 0.000 0.275 470 L C -0.159 176.716 176.870 0.009 0.000 1.128 470 L CA 0.807 55.651 54.840 0.007 0.000 0.875 470 L CB 0.712 42.765 42.059 -0.010 0.000 1.171 470 L HN 0.452 nan 8.230 nan 0.000 0.463 471 V N 6.458 126.396 119.914 0.039 0.000 2.398 471 V HA 0.560 4.679 4.120 -0.000 0.000 0.286 471 V C -0.066 176.066 176.094 0.063 0.000 1.026 471 V CA -0.443 61.902 62.300 0.075 0.000 0.868 471 V CB 1.605 33.546 31.823 0.196 0.000 0.982 471 V HN 0.670 nan 8.190 nan 0.000 0.443 472 V N 2.127 122.070 119.914 0.049 0.000 2.919 472 V HA 1.096 5.216 4.120 -0.000 0.000 0.316 472 V C -0.181 175.966 176.094 0.087 0.000 1.077 472 V CA -0.678 61.655 62.300 0.054 0.000 0.977 472 V CB 1.798 33.642 31.823 0.035 0.000 1.039 472 V HN 1.229 nan 8.190 nan 0.000 0.441 473 A N 1.943 124.808 122.820 0.075 0.000 2.594 473 A HA 0.986 5.306 4.320 -0.000 0.000 0.295 473 A C -0.323 177.264 177.584 0.005 0.000 1.071 473 A CA -0.018 52.038 52.037 0.032 0.000 0.685 473 A CB 1.836 20.796 19.000 -0.067 0.000 1.285 473 A HN 2.029 nan 8.150 nan 0.000 0.405 474 T N -1.675 112.871 114.554 -0.014 0.000 2.841 474 T HA 0.857 5.206 4.350 -0.000 0.000 0.296 474 T C 0.796 175.477 174.700 -0.032 0.000 1.166 474 T CA 0.417 62.538 62.100 0.035 0.000 1.007 474 T CB 0.945 69.871 68.868 0.097 0.000 1.253 474 T HN 2.704 nan 8.240 nan 0.000 0.511 475 G N -0.163 108.666 108.800 0.048 0.000 2.582 475 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.288 475 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.288 475 G C 1.057 175.905 174.900 -0.087 0.000 1.247 475 G CA 0.209 45.334 45.100 0.042 0.000 0.972 475 G HN 1.425 nan 8.290 nan 0.000 0.557 476 C N 1.552 120.809 119.300 -0.072 0.000 2.562 476 C HA 0.366 4.825 4.460 -0.000 0.000 0.266 476 C C 2.932 177.630 174.990 -0.486 0.000 1.382 476 C CA 1.010 59.908 59.018 -0.199 0.000 1.742 476 C CB -1.341 26.408 27.740 0.016 0.000 1.812 476 C HN 1.083 nan 8.230 nan 0.000 0.559 477 G N 1.058 109.517 108.800 -0.569 0.000 2.404 477 G HA2 -0.016 3.943 3.960 -0.000 0.000 0.215 477 G HA3 -0.016 3.943 3.960 -0.000 0.000 0.215 477 G C 1.882 176.262 174.900 -0.867 0.000 1.174 477 G CA 0.924 45.287 45.100 -1.228 0.000 0.780 477 G HN 0.553 nan 8.290 nan 0.000 0.537 478 A N 0.934 123.417 122.820 -0.562 0.000 1.940 478 A HA 0.117 4.437 4.320 -0.000 0.000 0.219 478 A C 2.688 179.903 177.584 -0.614 0.000 1.176 478 A CA 2.169 53.836 52.037 -0.618 0.000 0.631 478 A CB -1.086 17.357 19.000 -0.929 0.000 0.814 478 A HN 0.533 nan 8.150 nan 0.000 0.446 479 G N -0.505 107.860 108.800 -0.725 0.000 2.421 479 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.216 479 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.216 479 G C 1.778 176.284 174.900 -0.657 0.000 1.171 479 G CA 1.558 45.948 45.100 -1.182 0.000 0.775 479 G HN 0.815 nan 8.290 nan 0.000 0.543 480 A N 0.579 123.074 122.820 -0.541 0.000 1.883 480 A HA 0.051 4.371 4.320 -0.000 0.000 0.217 480 A C 2.465 179.963 177.584 -0.144 0.000 1.186 480 A CA 1.447 53.327 52.037 -0.261 0.000 0.624 480 A CB -0.470 18.303 19.000 -0.380 0.000 0.822 480 A HN 0.356 nan 8.150 nan 0.000 0.444 481 L N -0.480 120.524 121.223 -0.365 0.000 2.093 481 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 481 L C 2.948 179.840 176.870 0.037 0.000 1.085 481 L CA 1.686 56.358 54.840 -0.281 0.000 0.755 481 L CB -0.595 41.195 42.059 -0.449 0.000 0.904 481 L HN 0.715 nan 8.230 nan 0.000 0.435 482 M N -0.818 118.748 119.600 -0.057 0.000 2.175 482 M HA -0.179 4.301 4.480 -0.000 0.000 0.264 482 M C 2.155 178.495 176.300 0.067 0.000 1.063 482 M CA 1.736 57.060 55.300 0.039 0.000 1.119 482 M CB -0.534 32.080 32.600 0.023 0.000 1.377 482 M HN 0.005 nan 8.290 nan 0.000 0.415 483 R N -0.489 120.025 120.500 0.024 0.000 2.280 483 R HA 0.003 4.342 4.340 -0.000 0.000 0.207 483 R C 0.948 177.145 176.300 -0.172 0.000 1.043 483 R CA 0.711 56.779 56.100 -0.054 0.000 1.006 483 R CB -0.225 30.030 30.300 -0.074 0.000 0.885 483 R HN 0.635 nan 8.270 nan 0.000 0.467 484 H N -1.258 117.895 119.070 0.138 0.000 2.505 484 H HA 0.179 4.735 4.556 -0.001 0.000 0.286 484 H C 0.942 176.381 175.328 0.186 0.000 1.072 484 H CA 0.649 56.816 56.048 0.198 0.000 1.141 484 H CB 1.313 31.259 29.762 0.307 0.000 1.550 484 H HN 0.428 nan 8.280 nan 0.000 0.547 485 G N 0.865 109.783 108.800 0.198 0.000 2.157 485 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.239 485 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.239 485 G C 0.555 175.469 174.900 0.022 0.000 0.982 485 G CA -0.023 45.111 45.100 0.056 0.000 0.650 485 G HN 0.325 nan 8.290 nan 0.000 0.527 486 F N -0.145 119.822 119.950 0.028 0.000 2.802 486 F HA 0.444 4.971 4.527 -0.000 0.000 0.300 486 F C 2.259 178.072 175.800 0.021 0.000 1.168 486 F CA 1.029 59.038 58.000 0.015 0.000 1.433 486 F CB 0.171 39.164 39.000 -0.011 0.000 1.115 486 F HN 0.202 nan 8.300 nan 0.000 0.582 487 M N -0.868 118.841 119.600 0.181 0.000 2.475 487 M HA 0.122 4.602 4.480 -0.000 0.000 0.283 487 M C -0.389 175.979 176.300 0.114 0.000 1.165 487 M CA 0.085 55.476 55.300 0.151 0.000 0.976 487 M CB 0.098 32.797 32.600 0.165 0.000 1.428 487 M HN -0.250 nan 8.290 nan 0.000 0.495 488 D N 0.249 120.691 120.400 0.071 0.000 2.349 488 D HA 0.288 4.928 4.640 -0.000 0.000 0.232 488 D C -1.988 174.330 176.300 0.029 0.000 1.071 488 D CA -2.179 51.848 54.000 0.046 0.000 0.832 488 D CB 1.996 42.809 40.800 0.021 0.000 1.086 488 D HN -0.069 nan 8.370 nan 0.000 0.504 489 P HA -0.057 nan 4.420 nan 0.000 0.223 489 P C 0.903 178.209 177.300 0.010 0.000 1.144 489 P CA 0.662 63.780 63.100 0.030 0.000 0.783 489 P CB 0.144 31.870 31.700 0.044 0.000 0.771 490 A N -0.312 122.510 122.820 0.004 0.000 2.121 490 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 490 A C 1.737 179.306 177.584 -0.025 0.000 1.154 490 A CA 1.340 53.373 52.037 -0.007 0.000 0.679 490 A CB -1.423 17.573 19.000 -0.006 0.000 0.795 490 A HN 0.290 nan 8.150 nan 0.000 0.458 491 N N -0.872 117.804 118.700 -0.040 0.000 2.270 491 N HA 0.144 4.884 4.740 -0.000 0.000 0.198 491 N C 0.990 176.457 175.510 -0.071 0.000 1.117 491 N CA 0.071 53.075 53.050 -0.076 0.000 0.845 491 N CB 0.510 38.916 38.487 -0.135 0.000 0.980 491 N HN 0.195 nan 8.380 nan 0.000 0.486 492 V N 1.204 121.096 119.914 -0.037 0.000 2.343 492 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 492 V C 1.551 177.631 176.094 -0.023 0.000 1.051 492 V CA 1.767 64.053 62.300 -0.024 0.000 1.036 492 V CB -0.273 31.546 31.823 -0.007 0.000 0.654 492 V HN 0.308 nan 8.190 nan 0.000 0.451 493 D N -0.490 119.897 120.400 -0.022 0.000 2.144 493 D HA -0.178 4.461 4.640 -0.000 0.000 0.199 493 D C 2.190 178.476 176.300 -0.023 0.000 0.984 493 D CA 1.401 55.391 54.000 -0.017 0.000 0.834 493 D CB -0.163 40.629 40.800 -0.014 0.000 0.955 493 D HN 0.599 nan 8.370 nan 0.000 0.465 494 E N 0.043 120.219 120.200 -0.039 0.000 2.072 494 E HA -0.107 4.242 4.350 -0.000 0.000 0.191 494 E C 1.971 178.542 176.600 -0.049 0.000 0.985 494 E CA 0.635 57.006 56.400 -0.047 0.000 0.801 494 E CB 0.062 29.721 29.700 -0.068 0.000 0.750 494 E HN 0.244 nan 8.360 nan 0.000 0.452 495 L N 0.069 121.253 121.223 -0.064 0.000 2.357 495 L HA 0.151 4.490 4.340 -0.000 0.000 0.211 495 L C 0.745 177.617 176.870 0.003 0.000 1.075 495 L CA -0.254 54.554 54.840 -0.054 0.000 0.830 495 L CB 0.682 42.666 42.059 -0.125 0.000 0.996 495 L HN 0.150 nan 8.230 nan 0.000 0.467 496 C N 0.575 119.877 119.300 0.003 0.000 2.365 496 C HA 0.620 5.080 4.460 -0.000 0.000 0.351 496 C C 1.179 176.181 174.990 0.020 0.000 1.240 496 C CA -1.375 57.657 59.018 0.023 0.000 2.062 496 C CB 0.633 28.384 27.740 0.018 0.000 2.387 496 C HN 0.431 nan 8.230 nan 0.000 0.537 497 G N 1.555 110.372 108.800 0.028 0.000 2.664 497 G HA2 0.159 4.119 3.960 -0.000 0.000 0.242 497 G HA3 0.159 4.119 3.960 -0.000 0.000 0.242 497 G C 0.423 175.333 174.900 0.018 0.000 1.225 497 G CA -0.011 45.103 45.100 0.024 0.000 0.849 497 G HN 0.810 nan 8.290 nan 0.000 0.581 498 D N 0.644 121.053 120.400 0.015 0.000 2.144 498 D HA -0.094 4.546 4.640 -0.000 0.000 0.199 498 D C 2.564 178.872 176.300 0.012 0.000 0.984 498 D CA 1.583 55.590 54.000 0.011 0.000 0.834 498 D CB -0.487 40.319 40.800 0.009 0.000 0.955 498 D HN 0.452 nan 8.370 nan 0.000 0.465 499 G N 0.816 109.625 108.800 0.015 0.000 2.421 499 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 499 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 499 G C 1.584 176.493 174.900 0.014 0.000 1.171 499 G CA 0.674 45.783 45.100 0.015 0.000 0.775 499 G HN 0.269 nan 8.290 nan 0.000 0.543 500 L N 0.900 122.133 121.223 0.017 0.000 2.046 500 L HA 0.086 4.425 4.340 -0.000 0.000 0.208 500 L C 2.648 179.524 176.870 0.010 0.000 1.077 500 L CA 2.551 57.400 54.840 0.015 0.000 0.747 500 L CB -0.593 41.480 42.059 0.023 0.000 0.896 500 L HN 0.284 nan 8.230 nan 0.000 0.432 501 K N -0.493 119.913 120.400 0.010 0.000 2.063 501 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 501 K C 1.984 178.588 176.600 0.006 0.000 1.048 501 K CA 1.556 57.847 56.287 0.007 0.000 0.928 501 K CB -0.313 32.191 32.500 0.006 0.000 0.713 501 K HN 0.463 nan 8.250 nan 0.000 0.442 502 A N 0.501 123.325 122.820 0.007 0.000 1.933 502 A HA -0.104 4.215 4.320 -0.000 0.000 0.218 502 A C 2.226 179.814 177.584 0.006 0.000 1.175 502 A CA 1.693 53.734 52.037 0.007 0.000 0.628 502 A CB -0.541 18.464 19.000 0.007 0.000 0.814 502 A HN 0.191 nan 8.150 nan 0.000 0.444 503 V N 0.026 119.943 119.914 0.005 0.000 2.323 503 V HA -0.209 3.910 4.120 -0.000 0.000 0.244 503 V C 2.530 178.623 176.094 -0.002 0.000 1.041 503 V CA 1.789 64.091 62.300 0.002 0.000 1.025 503 V CB -0.748 31.075 31.823 0.001 0.000 0.656 503 V HN 0.564 nan 8.190 nan 0.000 0.451 504 L N -0.234 120.985 121.223 -0.006 0.000 2.131 504 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 504 L C 2.569 179.439 176.870 0.000 0.000 1.092 504 L CA 1.805 56.637 54.840 -0.012 0.000 0.759 504 L CB -0.954 41.096 42.059 -0.015 0.000 0.903 504 L HN 0.365 nan 8.230 nan 0.000 0.435 505 T N -0.254 114.303 114.554 0.005 0.000 2.770 505 T HA -0.075 4.274 4.350 -0.000 0.000 0.263 505 T C 2.065 176.773 174.700 0.012 0.000 1.039 505 T CA 1.163 63.269 62.100 0.010 0.000 1.142 505 T CB -0.167 68.707 68.868 0.009 0.000 0.868 505 T HN 0.420 nan 8.240 nan 0.000 0.435 506 A N 1.227 124.053 122.820 0.010 0.000 1.902 506 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 506 A C 2.265 179.858 177.584 0.015 0.000 1.181 506 A CA 1.252 53.296 52.037 0.012 0.000 0.623 506 A CB -0.777 18.229 19.000 0.010 0.000 0.818 506 A HN 0.525 nan 8.150 nan 0.000 0.443 507 I N -0.527 120.052 120.570 0.015 0.000 2.202 507 I HA -0.151 4.018 4.170 -0.000 0.000 0.242 507 I C 2.744 178.882 176.117 0.034 0.000 1.091 507 I CA 1.101 62.414 61.300 0.022 0.000 1.368 507 I CB -0.757 37.251 38.000 0.014 0.000 1.058 507 I HN 0.378 nan 8.210 nan 0.000 0.410 508 G N 0.389 109.209 108.800 0.034 0.000 2.418 508 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.217 508 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.217 508 G C 1.532 176.455 174.900 0.039 0.000 1.158 508 G CA 0.613 45.741 45.100 0.047 0.000 0.771 508 G HN 0.404 nan 8.290 nan 0.000 0.545 509 E N 0.420 120.637 120.200 0.028 0.000 2.110 509 E HA -0.034 4.316 4.350 -0.000 0.000 0.193 509 E C 2.821 179.436 176.600 0.024 0.000 0.988 509 E CA 0.716 57.130 56.400 0.024 0.000 0.804 509 E CB -0.151 29.559 29.700 0.018 0.000 0.745 509 E HN 0.426 nan 8.360 nan 0.000 0.458 510 A N 0.953 123.787 122.820 0.025 0.000 2.119 510 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 510 A C 1.375 178.976 177.584 0.028 0.000 1.153 510 A CA 1.048 53.099 52.037 0.024 0.000 0.692 510 A CB -0.184 18.829 19.000 0.023 0.000 0.799 510 A HN 0.116 nan 8.150 nan 0.000 0.458 511 N N -0.908 117.813 118.700 0.036 0.000 2.235 511 N HA 0.347 5.087 4.740 -0.000 0.000 0.209 511 N C 0.711 176.241 175.510 0.034 0.000 1.122 511 N CA 0.789 53.863 53.050 0.040 0.000 0.845 511 N CB 0.552 39.075 38.487 0.060 0.000 1.004 511 N HN 0.478 nan 8.380 nan 0.000 0.499 512 G N 0.773 109.590 108.800 0.028 0.000 2.198 512 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.257 512 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.257 512 G C 0.387 175.302 174.900 0.025 0.000 1.042 512 G CA 0.328 45.442 45.100 0.023 0.000 0.791 512 G HN 0.357 nan 8.290 nan 0.000 0.502 513 L N -1.250 119.992 121.223 0.031 0.000 2.693 513 L HA 0.553 4.893 4.340 -0.000 0.000 0.235 513 L C 1.993 178.878 176.870 0.026 0.000 1.127 513 L CA 0.114 54.973 54.840 0.032 0.000 0.914 513 L CB 0.012 42.097 42.059 0.044 0.000 1.193 513 L HN 0.897 nan 8.230 nan 0.000 0.502 514 G N 0.373 109.186 108.800 0.022 0.000 2.321 514 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.287 514 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.287 514 G C 0.390 175.301 174.900 0.018 0.000 1.018 514 G CA 0.302 45.412 45.100 0.018 0.000 0.855 514 G HN 0.883 nan 8.290 nan 0.000 0.507 515 G N -1.508 107.306 108.800 0.022 0.000 2.349 515 G HA2 0.716 4.676 3.960 -0.000 0.000 0.294 515 G HA3 0.716 4.676 3.960 -0.000 0.000 0.294 515 G C -3.292 171.625 174.900 0.028 0.000 1.380 515 G CA 0.008 45.121 45.100 0.023 0.000 0.811 515 G HN 0.371 nan 8.290 nan 0.000 0.519 516 P HA 0.432 nan 4.420 nan 0.000 0.278 516 P C 0.411 177.735 177.300 0.040 0.000 1.258 516 P CA -0.460 62.655 63.100 0.025 0.000 0.811 516 P CB 1.184 32.892 31.700 0.014 0.000 1.063 517 L N 1.903 123.145 121.223 0.032 0.000 2.492 517 L HA 0.092 4.432 4.340 -0.000 0.000 0.280 517 L C -1.481 175.400 176.870 0.017 0.000 1.240 517 L CA -1.288 53.569 54.840 0.028 0.000 0.831 517 L CB -0.650 41.363 42.059 -0.076 0.000 1.100 517 L HN 0.322 nan 8.230 nan 0.000 0.505 518 P HA 0.120 nan 4.420 nan 0.000 0.273 518 P C -2.336 174.973 177.300 0.015 0.000 1.250 518 P CA -1.450 61.680 63.100 0.049 0.000 0.793 518 P CB -0.037 31.733 31.700 0.117 0.000 1.011 519 P HA -0.067 nan 4.420 nan 0.000 0.218 519 P C 0.045 177.396 177.300 0.086 0.000 1.149 519 P CA 1.333 64.469 63.100 0.060 0.000 0.817 519 P CB 0.156 31.900 31.700 0.074 0.000 0.785 520 V N -0.031 119.943 119.914 0.101 0.000 2.656 520 V HA 0.257 4.377 4.120 -0.000 0.000 0.307 520 V C -0.214 175.902 176.094 0.036 0.000 1.051 520 V CA -0.828 61.526 62.300 0.088 0.000 0.893 520 V CB 2.239 34.141 31.823 0.132 0.000 0.999 520 V HN -0.167 nan 8.190 nan 0.000 0.426 521 L N 4.186 125.396 121.223 -0.022 0.000 2.257 521 L HA 0.452 4.791 4.340 -0.000 0.000 0.290 521 L C -0.095 176.890 176.870 0.190 0.000 1.044 521 L CA -0.639 54.165 54.840 -0.061 0.000 0.810 521 L CB 0.606 42.487 42.059 -0.296 0.000 1.193 521 L HN 0.637 nan 8.230 nan 0.000 0.425 522 H N 5.215 124.434 119.070 0.248 0.000 2.944 522 H HA 0.188 4.744 4.556 -0.001 0.000 0.278 522 H C 0.311 175.758 175.328 0.197 0.000 1.083 522 H CA 0.019 56.179 56.048 0.187 0.000 1.479 522 H CB 1.055 30.917 29.762 0.167 0.000 1.486 522 H HN 0.605 nan 8.280 nan 0.000 0.493 523 M N 3.565 123.429 119.600 0.440 0.000 2.428 523 M HA 0.203 4.683 4.480 -0.000 0.000 0.239 523 M C 0.957 177.370 176.300 0.189 0.000 1.121 523 M CA 0.542 55.992 55.300 0.250 0.000 1.019 523 M CB 0.680 33.380 32.600 0.168 0.000 1.485 523 M HN 0.818 nan 8.290 nan 0.000 0.484 524 G N 0.419 109.402 108.800 0.304 0.000 2.297 524 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.209 524 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.209 524 G C -0.439 174.603 174.900 0.235 0.000 1.267 524 G CA -0.319 44.846 45.100 0.109 0.000 1.127 524 G HN 0.387 nan 8.290 nan 0.000 0.498 525 S N -1.178 114.603 115.700 0.135 0.000 2.640 525 S HA 0.403 4.872 4.470 -0.000 0.000 0.262 525 S C 1.610 176.292 174.600 0.137 0.000 1.232 525 S CA 0.612 58.899 58.200 0.144 0.000 0.988 525 S CB 0.900 64.179 63.200 0.131 0.000 1.034 525 S HN 1.396 nan 8.310 nan 0.000 0.569 526 C N 0.319 119.719 119.300 0.167 0.000 2.440 526 C HA -0.023 4.436 4.460 -0.000 0.000 0.278 526 C C 2.855 177.893 174.990 0.079 0.000 1.295 526 C CA 0.621 59.736 59.018 0.161 0.000 1.738 526 C CB -1.706 26.191 27.740 0.261 0.000 1.987 526 C HN 0.789 nan 8.230 nan 0.000 0.492 527 V N -0.119 119.808 119.914 0.021 0.000 2.490 527 V HA -0.143 3.977 4.120 -0.000 0.000 0.250 527 V C 1.415 177.483 176.094 -0.044 0.000 1.061 527 V CA 2.335 64.563 62.300 -0.121 0.000 1.064 527 V CB -0.896 30.798 31.823 -0.216 0.000 0.670 527 V HN 0.350 nan 8.190 nan 0.000 0.461 528 D N 0.920 121.328 120.400 0.013 0.000 2.378 528 D HA -0.041 4.599 4.640 -0.000 0.000 0.227 528 D C 1.802 178.131 176.300 0.050 0.000 1.012 528 D CA 0.399 54.406 54.000 0.011 0.000 0.905 528 D CB -0.579 40.245 40.800 0.041 0.000 0.895 528 D HN 0.490 nan 8.370 nan 0.000 0.532 529 N N 0.379 119.144 118.700 0.107 0.000 2.258 529 N HA -0.161 4.578 4.740 -0.000 0.000 0.187 529 N C 1.771 177.403 175.510 0.203 0.000 1.012 529 N CA 1.087 54.258 53.050 0.201 0.000 0.870 529 N CB -0.129 38.543 38.487 0.308 0.000 0.977 529 N HN 0.263 nan 8.380 nan 0.000 0.434 530 S N 0.923 116.644 115.700 0.034 0.000 2.419 530 S HA -0.074 4.395 4.470 -0.000 0.000 0.235 530 S C 1.823 176.251 174.600 -0.287 0.000 1.019 530 S CA 0.570 58.649 58.200 -0.201 0.000 0.982 530 S CB -0.171 62.780 63.200 -0.415 0.000 0.789 530 S HN 0.307 nan 8.310 nan 0.000 0.490 531 R N 1.314 121.713 120.500 -0.169 0.000 2.092 531 R HA 0.123 4.463 4.340 -0.000 0.000 0.231 531 R C 2.789 179.077 176.300 -0.020 0.000 1.119 531 R CA 1.195 57.225 56.100 -0.116 0.000 0.970 531 R CB -0.777 29.500 30.300 -0.038 0.000 0.864 531 R HN 0.576 nan 8.270 nan 0.000 0.440 532 A N 0.916 123.759 122.820 0.038 0.000 1.933 532 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 532 A C 2.368 180.002 177.584 0.083 0.000 1.175 532 A CA 1.283 53.362 52.037 0.070 0.000 0.628 532 A CB -0.499 18.557 19.000 0.093 0.000 0.814 532 A HN 0.100 nan 8.150 nan 0.000 0.444 533 V N -0.049 119.927 119.914 0.104 0.000 2.287 533 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 533 V C 3.064 179.223 176.094 0.109 0.000 1.053 533 V CA 2.009 64.377 62.300 0.114 0.000 1.027 533 V CB -1.320 30.557 31.823 0.090 0.000 0.646 533 V HN 0.624 nan 8.190 nan 0.000 0.447 534 A N -0.163 122.712 122.820 0.092 0.000 1.883 534 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 534 A C 2.182 179.810 177.584 0.072 0.000 1.186 534 A CA 2.240 54.347 52.037 0.117 0.000 0.624 534 A CB -0.620 18.422 19.000 0.070 0.000 0.822 534 A HN 0.458 nan 8.150 nan 0.000 0.444 535 L N -0.093 121.161 121.223 0.051 0.000 2.017 535 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 535 L C 2.393 179.287 176.870 0.041 0.000 1.073 535 L CA 2.013 56.879 54.840 0.043 0.000 0.745 535 L CB -0.560 41.523 42.059 0.040 0.000 0.894 535 L HN 0.151 nan 8.230 nan 0.000 0.432 536 V N 0.043 119.984 119.914 0.046 0.000 2.358 536 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 536 V C 2.787 178.902 176.094 0.035 0.000 1.047 536 V CA 1.528 63.851 62.300 0.038 0.000 1.035 536 V CB -1.311 30.539 31.823 0.045 0.000 0.658 536 V HN 0.605 nan 8.190 nan 0.000 0.452 537 A N 0.002 122.849 122.820 0.045 0.000 1.933 537 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 537 A C 2.415 180.014 177.584 0.026 0.000 1.175 537 A CA 1.961 54.018 52.037 0.033 0.000 0.628 537 A CB -0.696 18.328 19.000 0.040 0.000 0.814 537 A HN 0.557 nan 8.150 nan 0.000 0.444 538 A N -0.319 122.521 122.820 0.032 0.000 1.933 538 A HA -0.007 4.312 4.320 -0.000 0.000 0.218 538 A C 2.159 179.754 177.584 0.019 0.000 1.175 538 A CA 1.433 53.485 52.037 0.025 0.000 0.628 538 A CB -0.543 18.475 19.000 0.031 0.000 0.814 538 A HN 0.465 nan 8.150 nan 0.000 0.444 539 L N -0.852 120.383 121.223 0.020 0.000 2.056 539 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 539 L C 3.110 179.988 176.870 0.013 0.000 1.078 539 L CA 0.974 55.824 54.840 0.016 0.000 0.749 539 L CB -0.523 41.546 42.059 0.015 0.000 0.901 539 L HN 0.434 nan 8.230 nan 0.000 0.433 540 A N 0.420 123.247 122.820 0.013 0.000 1.883 540 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 540 A C 2.005 179.593 177.584 0.007 0.000 1.186 540 A CA 2.318 54.361 52.037 0.010 0.000 0.624 540 A CB -0.884 18.122 19.000 0.010 0.000 0.822 540 A HN 0.520 nan 8.150 nan 0.000 0.444 541 N N -1.186 117.517 118.700 0.006 0.000 2.120 541 N HA -0.195 4.545 4.740 -0.000 0.000 0.188 541 N C 1.985 177.497 175.510 0.003 0.000 1.024 541 N CA 1.354 54.405 53.050 0.002 0.000 0.852 541 N CB -0.133 38.353 38.487 -0.001 0.000 1.003 541 N HN 0.418 nan 8.380 nan 0.000 0.424 542 R N 0.941 121.445 120.500 0.006 0.000 2.120 542 R HA 0.028 4.368 4.340 -0.000 0.000 0.234 542 R C 1.392 177.696 176.300 0.007 0.000 1.123 542 R CA 1.090 57.194 56.100 0.007 0.000 0.975 542 R CB -0.304 30.002 30.300 0.010 0.000 0.866 542 R HN 0.171 nan 8.270 nan 0.000 0.446 543 L N -0.585 120.642 121.223 0.007 0.000 2.446 543 L HA 0.306 4.646 4.340 -0.000 0.000 0.219 543 L C 0.972 177.846 176.870 0.006 0.000 1.116 543 L CA 1.439 56.283 54.840 0.008 0.000 0.844 543 L CB -0.945 41.120 42.059 0.009 0.000 0.970 543 L HN 0.584 nan 8.230 nan 0.000 0.457 544 G N 0.978 109.781 108.800 0.004 0.000 2.198 544 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.257 544 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.257 544 G C 0.233 175.135 174.900 0.004 0.000 1.042 544 G CA 0.516 45.617 45.100 0.003 0.000 0.791 544 G HN 0.369 nan 8.290 nan 0.000 0.502 545 V N -3.899 116.018 119.914 0.005 0.000 3.102 545 V HA 0.896 5.016 4.120 -0.000 0.000 0.312 545 V C 0.094 176.192 176.094 0.006 0.000 1.135 545 V CA -1.063 61.241 62.300 0.006 0.000 1.022 545 V CB 2.136 33.964 31.823 0.008 0.000 1.056 545 V HN 0.150 nan 8.190 nan 0.000 0.436 546 D N 0.088 120.493 120.400 0.008 0.000 2.383 546 D HA 0.360 5.000 4.640 -0.000 0.000 0.248 546 D C 0.917 177.223 176.300 0.011 0.000 1.170 546 D CA -0.312 53.694 54.000 0.009 0.000 0.977 546 D CB 1.497 42.304 40.800 0.012 0.000 1.120 546 D HN 0.482 nan 8.370 nan 0.000 0.481 547 L N 1.056 122.286 121.223 0.012 0.000 2.191 547 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 547 L C 1.629 178.504 176.870 0.008 0.000 1.103 547 L CA 1.230 56.078 54.840 0.012 0.000 0.769 547 L CB -0.798 41.272 42.059 0.018 0.000 0.908 547 L HN 0.505 nan 8.230 nan 0.000 0.438 548 D N -1.020 119.387 120.400 0.012 0.000 2.378 548 D HA -0.136 4.504 4.640 -0.000 0.000 0.227 548 D C 1.704 178.013 176.300 0.015 0.000 1.012 548 D CA 0.497 54.506 54.000 0.016 0.000 0.905 548 D CB -0.196 40.621 40.800 0.027 0.000 0.895 548 D HN 0.301 nan 8.370 nan 0.000 0.532 549 R N -0.361 120.145 120.500 0.010 0.000 2.334 549 R HA 0.300 4.640 4.340 -0.000 0.000 0.212 549 R C 0.421 176.722 176.300 0.002 0.000 0.897 549 R CA -0.256 55.848 56.100 0.007 0.000 1.056 549 R CB 0.691 30.996 30.300 0.009 0.000 1.046 549 R HN 0.175 nan 8.270 nan 0.000 0.513 550 L N 3.055 124.278 121.223 -0.001 0.000 2.375 550 L HA 0.271 4.610 4.340 -0.000 0.000 0.271 550 L C -1.841 175.019 176.870 -0.015 0.000 1.107 550 L CA -2.009 52.829 54.840 -0.004 0.000 0.806 550 L CB 0.865 42.922 42.059 -0.003 0.000 1.146 550 L HN -0.243 nan 8.230 nan 0.000 0.447 551 P HA 0.123 nan 4.420 nan 0.000 0.220 551 P C -0.843 176.436 177.300 -0.036 0.000 1.806 551 P CA 0.084 63.167 63.100 -0.027 0.000 0.976 551 P CB 0.115 31.806 31.700 -0.015 0.000 1.952 552 V N 2.383 122.269 119.914 -0.047 0.000 2.638 552 V HA 0.462 4.582 4.120 -0.000 0.000 0.306 552 V C 0.453 176.491 176.094 -0.092 0.000 1.052 552 V CA -0.823 61.442 62.300 -0.059 0.000 0.885 552 V CB 2.514 34.315 31.823 -0.037 0.000 0.999 552 V HN 0.232 nan 8.190 nan 0.000 0.424 553 V N 1.542 121.383 119.914 -0.121 0.000 3.141 553 V HA 1.102 5.222 4.120 -0.000 0.000 0.312 553 V C -0.285 175.701 176.094 -0.180 0.000 1.157 553 V CA -0.802 61.400 62.300 -0.162 0.000 1.041 553 V CB 1.984 33.706 31.823 -0.168 0.000 1.071 553 V HN 1.245 nan 8.190 nan 0.000 0.441 554 A N 0.699 123.404 122.820 -0.191 0.000 2.454 554 A HA 0.924 5.243 4.320 -0.000 0.000 0.302 554 A C -0.473 177.024 177.584 -0.146 0.000 1.079 554 A CA -0.164 51.761 52.037 -0.188 0.000 0.731 554 A CB 1.929 20.828 19.000 -0.169 0.000 1.299 554 A HN 1.818 nan 8.150 nan 0.000 0.413 555 S N 0.497 116.122 115.700 -0.125 0.000 2.776 555 S HA 0.564 5.033 4.470 -0.000 0.000 0.284 555 S C -0.471 174.219 174.600 0.149 0.000 1.160 555 S CA 0.236 58.474 58.200 0.064 0.000 1.051 555 S CB 0.762 64.033 63.200 0.118 0.000 1.037 555 S HN 1.915 nan 8.310 nan 0.000 0.485 556 A N 4.176 127.011 122.820 0.025 0.000 3.015 556 A HA 0.658 4.978 4.320 -0.000 0.000 0.293 556 A C 1.329 178.834 177.584 -0.132 0.000 1.572 556 A CA 0.041 52.091 52.037 0.022 0.000 1.274 556 A CB -0.652 18.336 19.000 -0.019 0.000 1.156 556 A HN 1.211 nan 8.150 nan 0.000 0.562 557 A N 1.145 123.838 122.820 -0.211 0.000 2.119 557 A HA 0.054 4.373 4.320 -0.000 0.000 0.217 557 A C 0.997 178.290 177.584 -0.484 0.000 1.153 557 A CA 1.131 52.935 52.037 -0.389 0.000 0.692 557 A CB -0.003 18.640 19.000 -0.595 0.000 0.799 557 A HN 0.672 nan 8.150 nan 0.000 0.458 558 E N -0.544 119.372 120.200 -0.472 0.000 3.521 558 E HA 0.389 4.739 4.350 -0.000 0.000 0.183 558 E C -0.235 176.317 176.600 -0.080 0.000 0.981 558 E CA -0.251 55.996 56.400 -0.256 0.000 1.349 558 E CB 0.780 30.345 29.700 -0.226 0.000 1.102 558 E HN 0.471 nan 8.360 nan 0.000 0.449 559 A N 1.262 124.035 122.820 -0.080 0.000 2.520 559 A HA 0.181 4.500 4.320 -0.000 0.000 0.235 559 A C 0.746 178.320 177.584 -0.017 0.000 1.065 559 A CA 0.362 52.389 52.037 -0.016 0.000 0.764 559 A CB 0.504 19.477 19.000 -0.045 0.000 1.002 559 A HN 0.403 nan 8.150 nan 0.000 0.502 560 M N 0.628 120.246 119.600 0.029 0.000 2.146 560 M HA 0.113 4.593 4.480 -0.000 0.000 0.194 560 M C 0.447 176.766 176.300 0.030 0.000 1.652 560 M CA 0.306 55.615 55.300 0.014 0.000 0.986 560 M CB -0.345 32.272 32.600 0.029 0.000 1.496 560 M HN 0.919 nan 8.290 nan 0.000 0.576 561 H N 2.120 121.190 119.070 0.001 0.000 2.607 561 H HA 0.144 4.700 4.556 -0.000 0.000 0.367 561 H C 0.351 175.668 175.328 -0.017 0.000 1.181 561 H CA 0.982 57.026 56.048 -0.006 0.000 1.402 561 H CB 1.194 30.962 29.762 0.010 0.000 1.474 561 H HN 0.354 nan 8.280 nan 0.000 0.596 562 E N 2.187 122.287 120.200 -0.166 0.000 2.160 562 E HA -0.189 4.160 4.350 -0.000 0.000 0.195 562 E C 1.853 178.554 176.600 0.169 0.000 0.991 562 E CA 1.167 57.567 56.400 -0.001 0.000 0.810 562 E CB 0.210 29.861 29.700 -0.081 0.000 0.742 562 E HN 0.559 nan 8.360 nan 0.000 0.466 563 K N 0.283 120.920 120.400 0.395 0.000 2.103 563 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 563 K C 2.137 178.848 176.600 0.184 0.000 1.048 563 K CA 1.191 57.569 56.287 0.151 0.000 0.930 563 K CB -0.126 32.283 32.500 -0.151 0.000 0.716 563 K HN 0.079 nan 8.250 nan 0.000 0.444 564 A N 0.825 123.739 122.820 0.158 0.000 1.968 564 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 564 A C 2.316 179.923 177.584 0.037 0.000 1.169 564 A CA 1.051 53.141 52.037 0.088 0.000 0.638 564 A CB -0.415 18.639 19.000 0.089 0.000 0.812 564 A HN 0.060 nan 8.150 nan 0.000 0.446 565 V N -0.034 119.906 119.914 0.043 0.000 2.343 565 V HA -0.258 3.861 4.120 -0.000 0.000 0.247 565 V C 3.051 179.181 176.094 0.059 0.000 1.051 565 V CA 1.934 64.249 62.300 0.024 0.000 1.036 565 V CB -1.235 30.587 31.823 -0.002 0.000 0.654 565 V HN 0.602 nan 8.190 nan 0.000 0.451 566 A N -0.096 122.777 122.820 0.088 0.000 1.877 566 A HA -0.179 4.140 4.320 -0.000 0.000 0.216 566 A C 2.190 179.766 177.584 -0.014 0.000 1.186 566 A CA 1.976 54.094 52.037 0.134 0.000 0.620 566 A CB -0.556 18.583 19.000 0.233 0.000 0.822 566 A HN 0.495 nan 8.150 nan 0.000 0.443 567 I N -0.304 120.162 120.570 -0.174 0.000 2.226 567 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 567 I C 2.688 178.293 176.117 -0.852 0.000 1.100 567 I CA 1.158 61.941 61.300 -0.862 0.000 1.374 567 I CB -0.532 37.190 38.000 -0.464 0.000 1.057 567 I HN 0.401 nan 8.210 nan 0.000 0.413 568 G N -0.136 108.480 108.800 -0.307 0.000 2.422 568 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 568 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 568 G C 1.656 176.485 174.900 -0.117 0.000 1.146 568 G CA 1.418 46.446 45.100 -0.120 0.000 0.769 568 G HN 0.294 nan 8.290 nan 0.000 0.547 569 T N 0.727 115.326 114.554 0.074 0.000 2.857 569 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 569 T C 2.041 176.770 174.700 0.048 0.000 1.048 569 T CA 1.250 63.430 62.100 0.133 0.000 1.139 569 T CB -0.305 68.707 68.868 0.240 0.000 0.874 569 T HN 0.782 nan 8.240 nan 0.000 0.455 570 W N 1.758 123.074 121.300 0.027 0.000 2.467 570 W HA 0.251 4.911 4.660 -0.001 0.000 0.275 570 W C 2.152 178.640 176.519 -0.051 0.000 1.239 570 W CA 0.363 57.706 57.345 -0.004 0.000 1.266 570 W CB -0.788 28.686 29.460 0.023 0.000 1.112 570 W HN 0.211 nan 8.180 nan 0.000 0.576 571 A N 1.993 124.774 122.820 -0.066 0.000 1.883 571 A HA -0.149 4.170 4.320 -0.000 0.000 0.217 571 A C 2.253 179.764 177.584 -0.120 0.000 1.186 571 A CA 2.665 54.654 52.037 -0.080 0.000 0.624 571 A CB -1.099 17.696 19.000 -0.342 0.000 0.822 571 A HN 0.153 nan 8.150 nan 0.000 0.444 572 V N -0.339 119.399 119.914 -0.293 0.000 2.343 572 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 572 V C 2.723 178.745 176.094 -0.119 0.000 1.051 572 V CA 2.433 64.537 62.300 -0.327 0.000 1.036 572 V CB -1.113 30.344 31.823 -0.610 0.000 0.654 572 V HN 0.624 nan 8.190 nan 0.000 0.451 573 T N 1.157 115.697 114.554 -0.022 0.000 2.867 573 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 573 T C 1.696 176.426 174.700 0.051 0.000 1.057 573 T CA 1.817 63.938 62.100 0.036 0.000 1.136 573 T CB -0.292 68.633 68.868 0.096 0.000 0.874 573 T HN 0.702 nan 8.240 nan 0.000 0.466 574 I N -1.456 119.167 120.570 0.088 0.000 3.564 574 I HA 0.410 4.579 4.170 -0.000 0.000 0.294 574 I C 1.442 177.582 176.117 0.038 0.000 1.289 574 I CA 0.507 61.851 61.300 0.074 0.000 1.325 574 I CB -0.219 37.850 38.000 0.115 0.000 1.039 574 I HN 0.315 nan 8.210 nan 0.000 0.474 575 G N 1.471 110.275 108.800 0.007 0.000 2.173 575 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.142 575 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.142 575 G C -0.172 174.700 174.900 -0.048 0.000 1.019 575 G CA -0.388 44.708 45.100 -0.008 0.000 0.699 575 G HN 0.271 nan 8.290 nan 0.000 0.495 576 L N 0.934 122.095 121.223 -0.103 0.000 2.322 576 L HA 0.493 4.833 4.340 -0.000 0.000 0.279 576 L C -2.189 174.468 176.870 -0.355 0.000 1.036 576 L CA -2.361 52.375 54.840 -0.174 0.000 0.807 576 L CB 1.604 43.575 42.059 -0.146 0.000 1.226 576 L HN -0.159 nan 8.230 nan 0.000 0.433 577 P HA 0.096 nan 4.420 nan 0.000 0.271 577 P C -0.911 176.099 177.300 -0.483 0.000 1.226 577 P CA 0.045 62.638 63.100 -0.845 0.000 0.765 577 P CB 0.591 31.852 31.700 -0.731 0.000 0.835 578 T N 3.227 117.509 114.554 -0.454 0.000 2.864 578 T HA 0.189 4.538 4.350 -0.000 0.000 0.299 578 T C -0.598 174.079 174.700 -0.037 0.000 1.011 578 T CA -0.426 61.517 62.100 -0.261 0.000 0.975 578 T CB 0.174 68.793 68.868 -0.415 0.000 0.962 578 T HN 0.436 nan 8.240 nan 0.000 0.448 579 H N 4.014 123.037 119.070 -0.078 0.000 2.582 579 H HA 0.589 5.144 4.556 -0.000 0.000 0.345 579 H C -0.977 174.378 175.328 0.046 0.000 1.104 579 H CA -0.398 55.651 56.048 -0.000 0.000 1.390 579 H CB 0.872 30.613 29.762 -0.035 0.000 1.461 579 H HN 0.554 nan 8.280 nan 0.000 0.551 580 I N 3.611 123.872 120.570 -0.516 0.000 2.465 580 I HA 0.285 4.455 4.170 -0.000 0.000 0.291 580 I C 0.586 176.258 176.117 -0.741 0.000 1.014 580 I CA -0.497 60.474 61.300 -0.548 0.000 1.093 580 I CB 1.537 39.392 38.000 -0.243 0.000 1.267 580 I HN 0.782 nan 8.210 nan 0.000 0.431 581 G N 6.584 115.016 108.800 -0.614 0.000 3.233 581 G HA2 0.352 4.312 3.960 -0.000 0.000 0.234 581 G HA3 0.352 4.312 3.960 -0.000 0.000 0.234 581 G C -0.013 174.804 174.900 -0.138 0.000 1.137 581 G CA 0.441 45.379 45.100 -0.270 0.000 0.763 581 G HN 0.533 nan 8.290 nan 0.000 0.549 582 V N -2.773 117.047 119.914 -0.156 0.000 3.074 582 V HA 0.733 4.852 4.120 -0.000 0.000 0.314 582 V C -0.521 175.512 176.094 -0.102 0.000 1.117 582 V CA -1.738 60.497 62.300 -0.107 0.000 1.014 582 V CB 2.076 33.834 31.823 -0.108 0.000 1.057 582 V HN -0.062 nan 8.190 nan 0.000 0.438 583 L N 4.618 125.796 121.223 -0.074 0.000 2.369 583 L HA 0.599 4.938 4.340 -0.000 0.000 0.279 583 L C -2.079 174.736 176.870 -0.091 0.000 1.108 583 L CA -0.927 53.870 54.840 -0.072 0.000 0.852 583 L CB 0.361 42.394 42.059 -0.043 0.000 1.169 583 L HN 0.733 nan 8.230 nan 0.000 0.452 584 P HA 0.376 nan 4.420 nan 0.000 0.282 584 P C -2.723 174.514 177.300 -0.105 0.000 1.259 584 P CA -1.979 61.040 63.100 -0.135 0.000 0.826 584 P CB 0.348 31.921 31.700 -0.212 0.000 1.064 585 P HA 0.164 nan 4.420 nan 0.000 0.226 585 P C 0.442 177.700 177.300 -0.069 0.000 1.783 585 P CA 0.098 63.159 63.100 -0.066 0.000 0.980 585 P CB -0.741 30.930 31.700 -0.048 0.000 1.967 586 I N -2.186 118.337 120.570 -0.079 0.000 4.526 586 I HA 0.095 4.265 4.170 -0.000 0.000 0.330 586 I C 1.365 177.445 176.117 -0.061 0.000 1.323 586 I CA -0.070 61.185 61.300 -0.075 0.000 1.218 586 I CB -0.331 37.611 38.000 -0.097 0.000 1.233 586 I HN -0.144 nan 8.210 nan 0.000 0.430 587 T N -1.234 113.286 114.554 -0.057 0.000 3.035 587 T HA 0.070 4.420 4.350 -0.000 0.000 0.268 587 T C 1.837 176.500 174.700 -0.063 0.000 1.109 587 T CA 0.966 63.040 62.100 -0.043 0.000 1.119 587 T CB -0.663 68.189 68.868 -0.027 0.000 0.900 587 T HN 0.451 nan 8.240 nan 0.000 0.503 588 G N 0.588 109.340 108.800 -0.081 0.000 2.679 588 G HA2 0.123 4.082 3.960 -0.000 0.000 0.212 588 G HA3 0.123 4.082 3.960 -0.000 0.000 0.212 588 G C 0.519 175.351 174.900 -0.114 0.000 1.137 588 G CA 0.287 45.314 45.100 -0.121 0.000 0.787 588 G HN 0.609 nan 8.290 nan 0.000 0.534 589 S N -0.323 115.332 115.700 -0.075 0.000 2.733 589 S HA 0.360 4.829 4.470 -0.000 0.000 0.307 589 S C 0.821 175.400 174.600 -0.036 0.000 1.127 589 S CA -0.819 57.346 58.200 -0.058 0.000 1.097 589 S CB 1.216 64.389 63.200 -0.046 0.000 1.003 589 S HN 0.048 nan 8.310 nan 0.000 0.477 590 L N 7.383 128.591 121.223 -0.025 0.000 2.017 590 L HA 0.231 4.571 4.340 -0.000 0.000 0.208 590 L C -1.196 175.675 176.870 0.000 0.000 1.073 590 L CA 1.902 56.742 54.840 -0.001 0.000 0.745 590 L CB -1.042 41.028 42.059 0.018 0.000 0.894 590 L HN 0.461 nan 8.230 nan 0.000 0.432 591 P HA -0.150 nan 4.420 nan 0.000 0.215 591 P C 2.073 179.374 177.300 0.002 0.000 1.153 591 P CA 1.509 64.609 63.100 0.001 0.000 0.853 591 P CB -0.027 31.672 31.700 -0.003 0.000 0.788 592 V N -0.663 119.248 119.914 -0.005 0.000 2.358 592 V HA -0.224 3.895 4.120 -0.000 0.000 0.246 592 V C 2.327 178.424 176.094 0.005 0.000 1.047 592 V CA 2.466 64.765 62.300 -0.002 0.000 1.035 592 V CB -1.791 30.023 31.823 -0.015 0.000 0.658 592 V HN 0.185 nan 8.190 nan 0.000 0.452 593 T N -0.404 114.148 114.554 -0.002 0.000 2.720 593 T HA -0.275 4.075 4.350 -0.000 0.000 0.268 593 T C 1.918 176.636 174.700 0.030 0.000 1.037 593 T CA 1.727 63.830 62.100 0.006 0.000 1.144 593 T CB -0.267 68.601 68.868 0.000 0.000 0.864 593 T HN 0.557 nan 8.240 nan 0.000 0.444 594 Q N 0.006 119.820 119.800 0.023 0.000 2.167 594 Q HA 0.019 4.358 4.340 -0.000 0.000 0.202 594 Q C 2.359 178.379 176.000 0.033 0.000 0.970 594 Q CA 0.986 56.804 55.803 0.026 0.000 0.855 594 Q CB -0.334 28.413 28.738 0.015 0.000 0.911 594 Q HN 0.534 nan 8.270 nan 0.000 0.438 595 I N 0.560 121.150 120.570 0.034 0.000 2.142 595 I HA -0.299 3.871 4.170 -0.000 0.000 0.240 595 I C 2.076 178.241 176.117 0.079 0.000 1.078 595 I CA 1.235 62.560 61.300 0.041 0.000 1.343 595 I CB -0.153 37.867 38.000 0.033 0.000 1.046 595 I HN 0.192 nan 8.210 nan 0.000 0.405 596 L N -0.052 121.238 121.223 0.111 0.000 2.313 596 L HA -0.101 4.239 4.340 -0.000 0.000 0.214 596 L C 2.280 179.320 176.870 0.283 0.000 1.119 596 L CA 1.476 56.448 54.840 0.221 0.000 0.809 596 L CB -0.574 41.597 42.059 0.187 0.000 0.933 596 L HN 0.436 nan 8.230 nan 0.000 0.449 597 T N -6.859 107.807 114.554 0.187 0.000 3.054 597 T HA 0.119 4.469 4.350 -0.000 0.000 0.255 597 T C 1.311 176.078 174.700 0.112 0.000 1.035 597 T CA 0.520 62.743 62.100 0.205 0.000 0.941 597 T CB 0.843 69.801 68.868 0.150 0.000 1.026 597 T HN 0.133 nan 8.240 nan 0.000 0.533 598 S N 0.939 116.672 115.700 0.055 0.000 4.193 598 S HA 0.110 4.580 4.470 -0.000 0.000 0.211 598 S C 1.791 176.374 174.600 -0.028 0.000 1.162 598 S CA 0.646 58.826 58.200 -0.033 0.000 1.039 598 S CB -0.299 62.882 63.200 -0.032 0.000 1.371 598 S HN 0.487 nan 8.310 nan 0.000 0.550 599 S N 1.465 117.163 115.700 -0.003 0.000 2.481 599 S HA 0.062 4.531 4.470 -0.000 0.000 0.231 599 S C 1.646 176.240 174.600 -0.010 0.000 0.996 599 S CA 0.946 59.139 58.200 -0.012 0.000 0.942 599 S CB -0.357 62.840 63.200 -0.006 0.000 0.768 599 S HN 0.434 nan 8.310 nan 0.000 0.520 600 V N 2.166 122.088 119.914 0.013 0.000 2.867 600 V HA -0.168 3.951 4.120 -0.000 0.000 0.260 600 V C 2.138 178.232 176.094 -0.000 0.000 1.099 600 V CA 1.649 63.950 62.300 0.002 0.000 1.122 600 V CB -0.721 31.124 31.823 0.036 0.000 0.708 600 V HN 0.486 nan 8.190 nan 0.000 0.490 601 K N -0.266 120.141 120.400 0.011 0.000 2.103 601 K HA -0.181 4.138 4.320 -0.000 0.000 0.207 601 K C 1.634 178.228 176.600 -0.009 0.000 1.048 601 K CA 1.767 58.061 56.287 0.011 0.000 0.930 601 K CB -0.276 32.179 32.500 -0.075 0.000 0.716 601 K HN 0.517 nan 8.250 nan 0.000 0.444 602 D N 0.305 120.690 120.400 -0.024 0.000 2.363 602 D HA -0.013 4.627 4.640 -0.000 0.000 0.220 602 D C 1.646 177.931 176.300 -0.026 0.000 0.994 602 D CA 0.797 54.788 54.000 -0.014 0.000 0.890 602 D CB 0.168 40.961 40.800 -0.011 0.000 0.906 602 D HN 0.285 nan 8.370 nan 0.000 0.530 603 I N -0.030 120.481 120.570 -0.098 0.000 2.900 603 I HA -0.096 4.074 4.170 -0.000 0.000 0.251 603 I C 2.215 178.234 176.117 -0.163 0.000 1.102 603 I CA 1.047 62.172 61.300 -0.290 0.000 1.457 603 I CB 0.110 37.876 38.000 -0.390 0.000 1.285 603 I HN -0.049 nan 8.210 nan 0.000 0.459 604 T N -2.921 111.587 114.554 -0.077 0.000 2.975 604 T HA 0.372 4.722 4.350 -0.000 0.000 0.257 604 T C 1.512 176.221 174.700 0.015 0.000 1.003 604 T CA 0.566 62.656 62.100 -0.017 0.000 0.932 604 T CB 1.037 69.893 68.868 -0.020 0.000 1.087 604 T HN 0.502 nan 8.240 nan 0.000 0.512 605 G N 0.710 109.527 108.800 0.028 0.000 2.253 605 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.251 605 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.251 605 G C 0.555 175.520 174.900 0.109 0.000 0.998 605 G CA -0.006 45.128 45.100 0.057 0.000 0.621 605 G HN 1.076 nan 8.290 nan 0.000 0.524 606 G N -0.646 108.192 108.800 0.062 0.000 2.535 606 G HA2 0.866 4.826 3.960 -0.000 0.000 0.303 606 G HA3 0.866 4.826 3.960 -0.000 0.000 0.303 606 G C -0.563 174.412 174.900 0.126 0.000 1.237 606 G CA -0.191 44.909 45.100 -0.000 0.000 0.986 606 G HN 1.682 nan 8.290 nan 0.000 0.494 607 Y N -3.312 116.882 120.300 -0.176 0.000 2.583 607 Y HA 0.558 5.107 4.550 -0.001 0.000 0.330 607 Y C -1.556 174.235 175.900 -0.183 0.000 1.185 607 Y CA -2.226 55.792 58.100 -0.137 0.000 1.107 607 Y CB 0.280 38.713 38.460 -0.045 0.000 1.344 607 Y HN 0.431 nan 8.280 nan 0.000 0.463 608 F N 2.914 122.911 119.950 0.079 0.000 2.418 608 F HA 0.556 5.083 4.527 -0.000 0.000 0.341 608 F C 0.300 176.158 175.800 0.097 0.000 1.120 608 F CA -0.376 57.631 58.000 0.011 0.000 1.232 608 F CB 0.885 39.888 39.000 0.004 0.000 1.175 608 F HN 0.413 nan 8.300 nan 0.000 0.569 609 I N 3.784 124.518 120.570 0.274 0.000 2.405 609 I HA 0.226 4.395 4.170 -0.000 0.000 0.280 609 I C -1.060 175.195 176.117 0.231 0.000 1.027 609 I CA -0.622 60.824 61.300 0.243 0.000 1.161 609 I CB 1.106 39.225 38.000 0.200 0.000 1.300 609 I HN 0.132 nan 8.210 nan 0.000 0.463 610 V N 5.478 125.486 119.914 0.157 0.000 2.408 610 V HA 0.348 4.468 4.120 -0.000 0.000 0.267 610 V C -0.082 176.084 176.094 0.120 0.000 1.047 610 V CA -0.133 62.212 62.300 0.076 0.000 0.937 610 V CB 1.012 32.839 31.823 0.006 0.000 0.999 610 V HN 0.674 nan 8.190 nan 0.000 0.472 611 E N 4.340 124.647 120.200 0.179 0.000 2.334 611 E HA 0.390 4.740 4.350 -0.000 0.000 0.280 611 E C -0.455 176.260 176.600 0.191 0.000 0.899 611 E CA -0.519 55.983 56.400 0.170 0.000 0.813 611 E CB 1.513 31.303 29.700 0.151 0.000 1.318 611 E HN 0.301 nan 8.360 nan 0.000 0.399 612 L N 2.517 123.791 121.223 0.085 0.000 2.418 612 L HA 0.236 4.575 4.340 -0.000 0.000 0.218 612 L C 0.476 177.374 176.870 0.046 0.000 1.125 612 L CA 0.747 55.620 54.840 0.054 0.000 0.835 612 L CB -0.202 41.870 42.059 0.021 0.000 0.953 612 L HN 0.572 nan 8.230 nan 0.000 0.454 613 D N 0.270 120.694 120.400 0.040 0.000 2.339 613 D HA 0.104 4.743 4.640 -0.000 0.000 0.241 613 D C -1.477 174.825 176.300 0.004 0.000 1.183 613 D CA -1.798 52.213 54.000 0.018 0.000 0.859 613 D CB 1.305 42.112 40.800 0.012 0.000 1.067 613 D HN -0.062 nan 8.370 nan 0.000 0.484 614 P HA -0.133 nan 4.420 nan 0.000 0.219 614 P C 0.785 178.062 177.300 -0.038 0.000 1.150 614 P CA 0.875 63.958 63.100 -0.029 0.000 0.814 614 P CB 0.397 32.079 31.700 -0.030 0.000 0.787 615 E N -0.188 120.000 120.200 -0.019 0.000 2.077 615 E HA -0.096 4.253 4.350 -0.000 0.000 0.193 615 E C 1.960 178.546 176.600 -0.023 0.000 0.989 615 E CA 1.470 57.862 56.400 -0.014 0.000 0.800 615 E CB -0.868 28.831 29.700 -0.002 0.000 0.746 615 E HN 0.281 nan 8.360 nan 0.000 0.452 616 T N 1.314 115.854 114.554 -0.023 0.000 2.821 616 T HA -0.098 4.251 4.350 -0.000 0.000 0.267 616 T C 2.033 176.698 174.700 -0.059 0.000 1.046 616 T CA 1.225 63.311 62.100 -0.024 0.000 1.139 616 T CB -0.172 68.692 68.868 -0.007 0.000 0.871 616 T HN 0.245 nan 8.240 nan 0.000 0.454 617 A N 1.528 124.282 122.820 -0.110 0.000 1.902 617 A HA 0.136 4.456 4.320 -0.000 0.000 0.217 617 A C 2.651 180.087 177.584 -0.247 0.000 1.181 617 A CA 1.810 53.678 52.037 -0.282 0.000 0.623 617 A CB -1.088 17.589 19.000 -0.539 0.000 0.818 617 A HN 0.507 nan 8.150 nan 0.000 0.443 618 A N -0.022 122.716 122.820 -0.137 0.000 1.902 618 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 618 A C 1.771 179.326 177.584 -0.049 0.000 1.181 618 A CA 1.888 53.883 52.037 -0.069 0.000 0.623 618 A CB -0.560 18.432 19.000 -0.012 0.000 0.818 618 A HN 0.457 nan 8.150 nan 0.000 0.443 619 D N -0.232 120.146 120.400 -0.037 0.000 2.144 619 D HA -0.104 4.536 4.640 -0.000 0.000 0.199 619 D C 1.924 178.209 176.300 -0.025 0.000 0.984 619 D CA 1.292 55.283 54.000 -0.016 0.000 0.834 619 D CB -0.229 40.569 40.800 -0.004 0.000 0.955 619 D HN 0.497 nan 8.370 nan 0.000 0.465 620 K N 0.081 120.456 120.400 -0.042 0.000 2.097 620 K HA -0.009 4.311 4.320 -0.000 0.000 0.205 620 K C 2.287 178.865 176.600 -0.038 0.000 1.050 620 K CA 0.435 56.706 56.287 -0.027 0.000 0.938 620 K CB -0.033 32.457 32.500 -0.016 0.000 0.718 620 K HN 0.123 nan 8.250 nan 0.000 0.442 621 L N 0.789 121.965 121.223 -0.078 0.000 2.056 621 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 621 L C 2.247 179.078 176.870 -0.066 0.000 1.078 621 L CA 0.974 55.762 54.840 -0.086 0.000 0.749 621 L CB -0.320 41.666 42.059 -0.123 0.000 0.901 621 L HN 0.146 nan 8.230 nan 0.000 0.433 622 L N -0.551 120.645 121.223 -0.046 0.000 2.046 622 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 622 L C 2.826 179.663 176.870 -0.056 0.000 1.077 622 L CA 1.193 56.015 54.840 -0.029 0.000 0.747 622 L CB -0.686 41.376 42.059 0.005 0.000 0.896 622 L HN 0.239 nan 8.230 nan 0.000 0.432 623 A N -0.167 122.618 122.820 -0.058 0.000 1.933 623 A HA -0.133 4.186 4.320 -0.000 0.000 0.218 623 A C 2.511 180.023 177.584 -0.120 0.000 1.175 623 A CA 1.599 53.571 52.037 -0.107 0.000 0.628 623 A CB -0.625 18.336 19.000 -0.066 0.000 0.814 623 A HN 0.400 nan 8.150 nan 0.000 0.444 624 A N -0.019 122.769 122.820 -0.054 0.000 1.898 624 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 624 A C 2.099 179.642 177.584 -0.069 0.000 1.181 624 A CA 1.429 53.457 52.037 -0.016 0.000 0.620 624 A CB -0.561 18.444 19.000 0.007 0.000 0.819 624 A HN 0.485 nan 8.150 nan 0.000 0.442 625 I N 0.124 120.643 120.570 -0.085 0.000 2.179 625 I HA -0.266 3.903 4.170 -0.000 0.000 0.242 625 I C 2.040 178.083 176.117 -0.122 0.000 1.088 625 I CA 1.267 62.518 61.300 -0.082 0.000 1.357 625 I CB -0.398 37.568 38.000 -0.057 0.000 1.051 625 I HN 0.295 nan 8.210 nan 0.000 0.409 626 N N 0.670 119.252 118.700 -0.197 0.000 2.244 626 N HA -0.148 4.592 4.740 -0.000 0.000 0.183 626 N C 1.689 176.851 175.510 -0.580 0.000 1.016 626 N CA 1.077 53.892 53.050 -0.392 0.000 0.866 626 N CB -0.186 37.990 38.487 -0.519 0.000 0.980 626 N HN 0.449 nan 8.380 nan 0.000 0.430 627 E N 0.444 120.394 120.200 -0.417 0.000 2.106 627 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 627 E C 1.912 178.399 176.600 -0.188 0.000 0.984 627 E CA 0.633 56.842 56.400 -0.319 0.000 0.806 627 E CB 0.113 29.695 29.700 -0.197 0.000 0.750 627 E HN 0.221 nan 8.360 nan 0.000 0.458 628 R N 0.807 121.232 120.500 -0.124 0.000 2.081 628 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 628 R C 2.253 178.520 176.300 -0.055 0.000 1.131 628 R CA 0.970 57.031 56.100 -0.064 0.000 0.960 628 R CB -0.472 29.803 30.300 -0.041 0.000 0.856 628 R HN 0.194 nan 8.270 nan 0.000 0.436 629 R N 0.478 120.936 120.500 -0.069 0.000 2.083 629 R HA -0.095 4.245 4.340 -0.000 0.000 0.237 629 R C 2.348 178.669 176.300 0.034 0.000 1.137 629 R CA 1.610 57.712 56.100 0.004 0.000 0.951 629 R CB -0.494 29.840 30.300 0.057 0.000 0.851 629 R HN 0.214 nan 8.270 nan 0.000 0.434 630 A N 0.672 123.463 122.820 -0.048 0.000 1.933 630 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 630 A C 2.361 179.969 177.584 0.040 0.000 1.175 630 A CA 1.751 53.821 52.037 0.055 0.000 0.628 630 A CB -1.031 17.946 19.000 -0.038 0.000 0.814 630 A HN 0.492 nan 8.150 nan 0.000 0.444 631 G N -0.741 108.055 108.800 -0.007 0.000 2.509 631 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.218 631 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.218 631 G C 1.272 176.183 174.900 0.018 0.000 1.124 631 G CA 0.736 45.839 45.100 0.004 0.000 0.776 631 G HN 0.451 nan 8.290 nan 0.000 0.547 632 L N 0.020 121.258 121.223 0.024 0.000 2.592 632 L HA 0.264 4.604 4.340 -0.000 0.000 0.227 632 L C 1.927 178.822 176.870 0.042 0.000 1.127 632 L CA 0.407 55.264 54.840 0.030 0.000 0.884 632 L CB 0.134 42.209 42.059 0.028 0.000 1.065 632 L HN 0.329 nan 8.230 nan 0.000 0.457 633 G N 0.584 109.419 108.800 0.058 0.000 2.136 633 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.242 633 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.242 633 G C 0.073 175.022 174.900 0.082 0.000 0.989 633 G CA -0.165 44.975 45.100 0.067 0.000 0.682 633 G HN 0.223 nan 8.290 nan 0.000 0.522 634 L N 0.470 121.758 121.223 0.108 0.000 2.343 634 L HA 0.511 4.850 4.340 -0.000 0.000 0.275 634 L C -1.633 175.349 176.870 0.186 0.000 1.056 634 L CA -2.385 52.525 54.840 0.117 0.000 0.804 634 L CB 1.087 43.209 42.059 0.105 0.000 1.203 634 L HN -0.122 nan 8.230 nan 0.000 0.440 635 P HA 0.047 nan 4.420 nan 0.000 0.270 635 P C -1.162 176.252 177.300 0.189 0.000 1.223 635 P CA -0.109 63.031 63.100 0.066 0.000 0.785 635 P CB 0.424 32.119 31.700 -0.008 0.000 0.923 636 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 57.348 57.345 0.005 0.000 1.226 636 W CB 0.000 29.464 29.460 0.006 0.000 1.126 636 W HN 0.000 nan 8.180 nan 0.000 0.535