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 3ada_1_A DATA FIRST_RESID 1 DATA SEQUENCE SKPQRLSAAQ TAGARINRDE ALTLTVDGQQ LSAFRGDTVA SAMLANGLRS DATA SEQUENCE CGNSMYLDRP RGIFSAGVEE PNALITVGAR HQADINESML PATTVSVTDG DATA SEQUENCE LNATLLSGLG VLDPSEDPAY YDHVHVHTDV LVVGAGPAGL AAAREASRSG DATA SEQUENCE ARVMLLDERP EAGGTLREAS GEQIDGIDAA QWIDAVTEEL AAAEETTHLQ DATA SEQUENCE RTTVFGSYDA NYILAAQRRT VHLDGPSGQG VSRERIWHIR AKQVVLATAA DATA SEQUENCE HERPIVFENN DRPGIMLAGS VRSYLNRFGV RAGSKIAVAT TNDSVYPLVS DATA SEQUENCE ELAASGGVVA VIDARQNISA AAAQAVTDGV TVLTGSVVAN TEADASGELS DATA SEQUENCE AVLVATLDEQ RNLGEAQRFE ADVLAVSGGF NPVVHLHSQR QGKLNWDTSI DATA SEQUENCE HAFVPADAVA NQHLAGALTG LLDTASALST GAATGAAAAS AAGFEKIAEV DATA SEQUENCE PQALAVPAGE TRPVWLVPSL SGDDAVHYKF HFVDLQRDQT VADVLRATGA DATA SEQUENCE GMQSVEHIKR YTSISTANDQ GKTSGVAAIG VIAAVLGIEN PAQIGTTTFR DATA SEQUENCE APYTPVSFAA LAGRTRGELL DPARLTAMHP WHLAHGAKFE DVGQWKRPWY DATA SEQUENCE YPQDGESMDE AVYRECKAVR DSVGMLDAST LGKIEIRGKD AAEFLNRMYT DATA SEQUENCE NGYTKLKVGM GRYGVMCKAD GMIFDDGVTL RLAEDRFLMH TTTGGAADVL DATA SEQUENCE DWLEEWLQTE WPELDVTCTS VTEQLATVAV VGPRSRDVIA KLASSLDVSN DATA SEQUENCE DAFKFMAFQD VTLDSGIEAR ISRISFSGEL AFEIAIPAWH GLQVWEDVYA DATA SEQUENCE AGQEFNITPY GTETMHVLRA EKGFIIVGQD TDGTVTPQDA GMEWVVSKLK DATA SEQUENCE DFVGKRSFSR EDNVREDRKH LVSVLPVDSS LRLAEGAALV AADAVASEGV DATA SEQUENCE TPMEGWVTHA YNSPALGRTF GLALIKNGRN RIGEVLKTPV DGQLVDVQVS DATA SEQUENCE DLVLFDPEGS RRD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.596 174.600 -0.006 0.000 1.055 1 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 1 S CB 0.000 63.202 63.200 0.003 0.000 0.593 2 K N 2.010 122.404 120.400 -0.010 0.000 2.270 2 K HA 0.369 4.688 4.320 -0.003 0.000 0.276 2 K C -2.350 174.239 176.600 -0.019 0.000 1.023 2 K CA -1.618 54.658 56.287 -0.018 0.000 0.955 2 K CB 0.127 32.615 32.500 -0.019 0.000 0.975 2 K HN 0.292 nan 8.250 nan 0.000 0.471 3 P HA -0.071 nan 4.420 nan 0.000 0.271 3 P C -1.266 176.018 177.300 -0.026 0.000 1.233 3 P CA 0.035 63.112 63.100 -0.038 0.000 0.789 3 P CB 0.556 32.208 31.700 -0.080 0.000 0.951 4 Q N -1.026 118.769 119.800 -0.009 0.000 2.472 4 Q HA 0.535 4.874 4.340 -0.003 0.000 0.281 4 Q C -1.050 174.970 176.000 0.033 0.000 0.997 4 Q CA -1.269 54.538 55.803 0.008 0.000 0.828 4 Q CB 1.374 30.121 28.738 0.015 0.000 1.443 4 Q HN 0.143 nan 8.270 nan 0.000 0.390 5 R N 1.362 121.894 120.500 0.052 0.000 2.438 5 R HA 0.442 4.780 4.340 -0.003 0.000 0.287 5 R C -0.717 175.632 176.300 0.083 0.000 1.077 5 R CA -0.000 56.156 56.100 0.094 0.000 1.034 5 R CB 0.486 30.869 30.300 0.138 0.000 0.993 5 R HN 0.686 nan 8.270 nan 0.000 0.459 6 L N 2.199 123.472 121.223 0.085 0.000 2.448 6 L HA 0.373 4.711 4.340 -0.003 0.000 0.258 6 L C 0.409 177.317 176.870 0.063 0.000 1.104 6 L CA -0.865 54.013 54.840 0.064 0.000 0.800 6 L CB 1.340 43.434 42.059 0.057 0.000 1.241 6 L HN 0.868 nan 8.230 nan 0.000 0.472 7 S N 0.040 115.768 115.700 0.046 0.000 2.573 7 S HA 0.128 4.597 4.470 -0.003 0.000 0.277 7 S C 1.027 175.642 174.600 0.024 0.000 1.346 7 S CA -0.099 58.124 58.200 0.038 0.000 1.034 7 S CB 1.331 64.547 63.200 0.027 0.000 0.879 7 S HN 0.696 nan 8.310 nan 0.000 0.528 8 A N 2.867 125.693 122.820 0.010 0.000 1.948 8 A HA 0.034 4.353 4.320 -0.003 0.000 0.220 8 A C 2.412 179.986 177.584 -0.016 0.000 1.177 8 A CA 2.003 54.026 52.037 -0.023 0.000 0.636 8 A CB -1.647 17.326 19.000 -0.046 0.000 0.815 8 A HN 1.433 nan 8.150 nan 0.000 0.449 9 A N -0.887 121.930 122.820 -0.004 0.000 1.930 9 A HA -0.176 4.142 4.320 -0.003 0.000 0.217 9 A C 2.029 179.614 177.584 0.001 0.000 1.175 9 A CA 1.541 53.576 52.037 -0.003 0.000 0.627 9 A CB -0.454 18.547 19.000 0.002 0.000 0.815 9 A HN 0.660 nan 8.150 nan 0.000 0.443 10 Q N -0.628 119.177 119.800 0.008 0.000 2.472 10 Q HA -0.021 4.317 4.340 -0.003 0.000 0.208 10 Q C 0.703 176.711 176.000 0.012 0.000 0.958 10 Q CA 1.224 57.035 55.803 0.012 0.000 0.932 10 Q CB 0.021 28.772 28.738 0.021 0.000 1.007 10 Q HN 0.770 nan 8.270 nan 0.000 0.508 11 T N -3.314 111.244 114.554 0.007 0.000 3.380 11 T HA 0.598 4.947 4.350 -0.003 0.000 0.289 11 T C 0.121 174.814 174.700 -0.012 0.000 1.012 11 T CA -0.394 61.711 62.100 0.007 0.000 0.944 11 T CB 0.518 69.400 68.868 0.023 0.000 1.172 11 T HN 0.117 nan 8.240 nan 0.000 0.502 12 A N 0.194 123.004 122.820 -0.016 0.000 2.445 12 A HA 0.643 4.962 4.320 -0.003 0.000 0.242 12 A C 1.701 179.270 177.584 -0.026 0.000 1.075 12 A CA 0.386 52.407 52.037 -0.026 0.000 0.777 12 A CB -0.756 18.230 19.000 -0.022 0.000 1.013 12 A HN 1.639 nan 8.150 nan 0.000 0.493 13 G N 0.085 108.865 108.800 -0.032 0.000 2.225 13 G HA2 0.107 4.065 3.960 -0.003 0.000 0.254 13 G HA3 0.107 4.065 3.960 -0.003 0.000 0.254 13 G C 0.755 175.628 174.900 -0.046 0.000 0.988 13 G CA 0.585 45.665 45.100 -0.033 0.000 0.625 13 G HN 2.273 nan 8.290 nan 0.000 0.527 14 A N 0.371 123.166 122.820 -0.042 0.000 2.520 14 A HA 0.509 4.827 4.320 -0.003 0.000 0.235 14 A C 1.085 178.627 177.584 -0.071 0.000 1.065 14 A CA 0.457 52.461 52.037 -0.055 0.000 0.764 14 A CB 0.163 19.159 19.000 -0.006 0.000 1.002 14 A HN 0.365 nan 8.150 nan 0.000 0.502 15 R N 1.384 121.808 120.500 -0.126 0.000 4.394 15 R HA 0.235 4.573 4.340 -0.003 0.000 0.257 15 R C -0.421 175.870 176.300 -0.017 0.000 1.727 15 R CA 0.252 56.290 56.100 -0.102 0.000 1.497 15 R CB -1.254 28.935 30.300 -0.185 0.000 1.406 15 R HN 0.732 nan 8.270 nan 0.000 0.745 16 I N -2.833 117.752 120.570 0.025 0.000 2.865 16 I HA 0.444 4.612 4.170 -0.003 0.000 0.302 16 I C -0.400 175.718 176.117 0.002 0.000 1.140 16 I CA -1.248 60.110 61.300 0.096 0.000 1.021 16 I CB 2.256 40.366 38.000 0.183 0.000 1.233 16 I HN -0.235 nan 8.210 nan 0.000 0.427 17 N N 3.030 121.749 118.700 0.033 0.000 2.609 17 N HA 0.333 5.071 4.740 -0.003 0.000 0.234 17 N C 0.293 175.704 175.510 -0.164 0.000 1.001 17 N CA -0.421 52.607 53.050 -0.036 0.000 0.926 17 N CB 0.965 39.476 38.487 0.041 0.000 1.130 17 N HN 0.636 nan 8.380 nan 0.000 0.510 18 R N 1.066 121.309 120.500 -0.430 0.000 2.377 18 R HA -0.013 4.326 4.340 -0.003 0.000 0.207 18 R C -0.136 176.020 176.300 -0.240 0.000 1.075 18 R CA 0.702 56.298 56.100 -0.840 0.000 1.035 18 R CB 0.348 30.178 30.300 -0.784 0.000 0.857 18 R HN 0.461 nan 8.270 nan 0.000 0.475 19 D N -0.053 120.307 120.400 -0.066 0.000 2.349 19 D HA -0.021 4.617 4.640 -0.003 0.000 0.214 19 D C -0.125 176.230 176.300 0.093 0.000 1.063 19 D CA 0.523 54.536 54.000 0.021 0.000 0.847 19 D CB 0.471 41.272 40.800 0.002 0.000 0.933 19 D HN 0.198 nan 8.370 nan 0.000 0.513 20 E N 0.916 121.213 120.200 0.162 0.000 2.873 20 E HA 0.461 4.809 4.350 -0.003 0.000 0.232 20 E C -0.904 175.879 176.600 0.306 0.000 1.123 20 E CA -0.447 56.066 56.400 0.189 0.000 0.809 20 E CB 0.762 30.540 29.700 0.129 0.000 1.366 20 E HN -0.027 nan 8.360 nan 0.000 0.400 21 A N 3.674 126.661 122.820 0.279 0.000 2.425 21 A HA 0.540 4.858 4.320 -0.003 0.000 0.242 21 A C -0.446 177.150 177.584 0.019 0.000 1.077 21 A CA 0.103 52.209 52.037 0.115 0.000 0.781 21 A CB 0.395 19.427 19.000 0.053 0.000 1.020 21 A HN 0.646 nan 8.150 nan 0.000 0.494 22 L N 0.131 121.308 121.223 -0.077 0.000 2.491 22 L HA 0.713 5.051 4.340 -0.003 0.000 0.254 22 L C 0.070 176.888 176.870 -0.086 0.000 1.048 22 L CA -0.709 54.104 54.840 -0.044 0.000 0.855 22 L CB 2.759 44.810 42.059 -0.013 0.000 1.466 22 L HN 0.934 nan 8.230 nan 0.000 0.409 23 T N -0.448 114.073 114.554 -0.056 0.000 2.883 23 T HA 0.875 5.223 4.350 -0.003 0.000 0.296 23 T C -0.916 173.757 174.700 -0.046 0.000 1.117 23 T CA -0.707 61.354 62.100 -0.065 0.000 1.006 23 T CB 2.212 71.049 68.868 -0.053 0.000 1.191 23 T HN 0.707 nan 8.240 nan 0.000 0.508 24 L N -1.906 119.288 121.223 -0.048 0.000 2.765 24 L HA 0.944 5.282 4.340 -0.003 0.000 0.263 24 L C -1.280 175.567 176.870 -0.039 0.000 1.068 24 L CA -1.113 53.705 54.840 -0.036 0.000 0.903 24 L CB 1.687 43.724 42.059 -0.036 0.000 1.512 24 L HN 0.709 nan 8.230 nan 0.000 0.404 25 T N 0.580 115.114 114.554 -0.033 0.000 2.861 25 T HA 0.716 5.065 4.350 -0.003 0.000 0.287 25 T C -0.957 173.722 174.700 -0.035 0.000 1.003 25 T CA -0.507 61.573 62.100 -0.033 0.000 0.977 25 T CB 2.087 70.938 68.868 -0.027 0.000 0.996 25 T HN 0.485 nan 8.240 nan 0.000 0.448 26 V N 2.819 122.711 119.914 -0.038 0.000 2.483 26 V HA 0.322 4.440 4.120 -0.003 0.000 0.297 26 V C -0.442 175.631 176.094 -0.036 0.000 1.027 26 V CA -0.865 61.412 62.300 -0.038 0.000 0.855 26 V CB 1.495 33.291 31.823 -0.045 0.000 0.995 26 V HN 1.004 nan 8.190 nan 0.000 0.424 27 D N 4.367 124.747 120.400 -0.033 0.000 2.692 27 D HA -0.173 4.465 4.640 -0.003 0.000 0.233 27 D C 1.319 177.602 176.300 -0.029 0.000 1.172 27 D CA 1.961 55.942 54.000 -0.031 0.000 0.636 27 D CB -1.003 39.777 40.800 -0.033 0.000 1.028 27 D HN 1.423 nan 8.370 nan 0.000 0.419 28 G N -0.455 108.329 108.800 -0.027 0.000 2.162 28 G HA2 -0.376 3.582 3.960 -0.003 0.000 0.260 28 G HA3 -0.376 3.582 3.960 -0.003 0.000 0.260 28 G C 0.172 175.057 174.900 -0.026 0.000 0.976 28 G CA 0.583 45.668 45.100 -0.024 0.000 0.655 28 G HN 0.689 nan 8.290 nan 0.000 0.533 29 Q N 0.112 119.894 119.800 -0.029 0.000 2.322 29 Q HA 0.570 4.908 4.340 -0.003 0.000 0.265 29 Q C 0.058 176.037 176.000 -0.035 0.000 0.985 29 Q CA -0.699 55.085 55.803 -0.031 0.000 0.849 29 Q CB 0.866 29.584 28.738 -0.034 0.000 1.274 29 Q HN 0.433 nan 8.270 nan 0.000 0.449 30 Q N 4.303 124.082 119.800 -0.034 0.000 2.288 30 Q HA 0.419 4.757 4.340 -0.003 0.000 0.254 30 Q C -1.351 174.620 176.000 -0.048 0.000 0.932 30 Q CA -0.234 55.545 55.803 -0.038 0.000 0.902 30 Q CB 0.725 29.442 28.738 -0.035 0.000 1.203 30 Q HN 0.650 nan 8.270 nan 0.000 0.415 31 L N 1.832 123.020 121.223 -0.058 0.000 2.341 31 L HA 0.485 4.823 4.340 -0.003 0.000 0.267 31 L C -0.254 176.559 176.870 -0.095 0.000 1.009 31 L CA -1.001 53.795 54.840 -0.073 0.000 0.819 31 L CB 2.246 44.259 42.059 -0.076 0.000 1.323 31 L HN 0.559 nan 8.230 nan 0.000 0.425 32 S N 0.575 116.201 115.700 -0.123 0.000 2.562 32 S HA 0.796 5.264 4.470 -0.003 0.000 0.275 32 S C -0.165 174.278 174.600 -0.261 0.000 1.281 32 S CA -0.298 57.783 58.200 -0.198 0.000 1.045 32 S CB 1.417 64.482 63.200 -0.225 0.000 0.962 32 S HN 0.704 nan 8.310 nan 0.000 0.503 33 A N 2.303 124.911 122.820 -0.352 0.000 2.568 33 A HA 0.887 5.206 4.320 -0.003 0.000 0.291 33 A C -1.941 175.318 177.584 -0.543 0.000 1.159 33 A CA -0.624 51.206 52.037 -0.344 0.000 0.679 33 A CB 0.815 19.740 19.000 -0.125 0.000 1.285 33 A HN 0.596 nan 8.150 nan 0.000 0.428 34 F N -0.402 119.581 119.950 0.055 0.000 2.588 34 F HA 0.709 5.234 4.527 -0.003 0.000 0.314 34 F C 0.415 176.263 175.800 0.079 0.000 1.069 34 F CA -0.700 57.338 58.000 0.063 0.000 0.931 34 F CB 1.721 40.765 39.000 0.072 0.000 1.260 34 F HN 0.642 nan 8.300 nan 0.000 0.465 35 R N 0.860 121.531 120.500 0.284 0.000 2.504 35 R HA 0.397 4.735 4.340 -0.003 0.000 0.291 35 R C 0.919 177.349 176.300 0.217 0.000 0.974 35 R CA 1.435 57.654 56.100 0.199 0.000 1.077 35 R CB -0.344 30.048 30.300 0.154 0.000 0.926 35 R HN 0.926 nan 8.270 nan 0.000 0.407 36 G N 2.766 111.692 108.800 0.211 0.000 2.307 36 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.210 36 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.210 36 G C -0.356 174.766 174.900 0.370 0.000 1.005 36 G CA -0.015 45.230 45.100 0.242 0.000 0.634 36 G HN 0.656 nan 8.290 nan 0.000 0.496 37 D N 2.330 122.919 120.400 0.314 0.000 2.449 37 D HA 0.428 5.066 4.640 -0.003 0.000 0.236 37 D C 1.325 177.686 176.300 0.102 0.000 1.149 37 D CA 1.415 55.535 54.000 0.200 0.000 0.878 37 D CB 1.072 41.928 40.800 0.094 0.000 1.198 37 D HN 0.580 nan 8.370 nan 0.000 0.446 38 T N -2.244 112.258 114.554 -0.086 0.000 2.897 38 T HA 0.286 4.634 4.350 -0.003 0.000 0.278 38 T C 1.555 176.206 174.700 -0.083 0.000 0.981 38 T CA -0.912 61.158 62.100 -0.050 0.000 0.973 38 T CB 0.764 69.590 68.868 -0.069 0.000 1.092 38 T HN 0.040 nan 8.240 nan 0.000 0.543 39 V N 1.034 120.920 119.914 -0.047 0.000 2.392 39 V HA -0.124 3.994 4.120 -0.003 0.000 0.249 39 V C 3.034 179.070 176.094 -0.096 0.000 1.059 39 V CA 2.340 64.605 62.300 -0.058 0.000 1.051 39 V CB -1.618 30.185 31.823 -0.034 0.000 0.658 39 V HN 1.054 nan 8.190 nan 0.000 0.455 40 A N 0.766 123.526 122.820 -0.099 0.000 1.855 40 A HA -0.195 4.123 4.320 -0.003 0.000 0.215 40 A C 2.573 180.011 177.584 -0.243 0.000 1.191 40 A CA 2.216 54.178 52.037 -0.125 0.000 0.613 40 A CB -0.865 18.125 19.000 -0.017 0.000 0.829 40 A HN 0.673 nan 8.150 nan 0.000 0.442 41 S N 0.312 115.824 115.700 -0.314 0.000 2.382 41 S HA -0.005 4.463 4.470 -0.003 0.000 0.228 41 S C 2.070 176.522 174.600 -0.247 0.000 1.027 41 S CA 1.443 59.392 58.200 -0.418 0.000 0.991 41 S CB -0.678 61.963 63.200 -0.931 0.000 0.823 41 S HN 0.900 nan 8.310 nan 0.000 0.469 42 A N 1.936 124.645 122.820 -0.184 0.000 1.898 42 A HA 0.134 4.452 4.320 -0.003 0.000 0.216 42 A C 2.352 179.861 177.584 -0.125 0.000 1.181 42 A CA 1.496 53.461 52.037 -0.120 0.000 0.620 42 A CB -0.773 18.170 19.000 -0.096 0.000 0.819 42 A HN 0.558 nan 8.150 nan 0.000 0.442 43 M N -0.535 118.982 119.600 -0.137 0.000 2.073 43 M HA -0.195 4.283 4.480 -0.003 0.000 0.258 43 M C 2.115 178.331 176.300 -0.140 0.000 1.070 43 M CA 1.758 56.983 55.300 -0.126 0.000 1.103 43 M CB -0.594 31.931 32.600 -0.124 0.000 1.321 43 M HN 0.393 nan 8.290 nan 0.000 0.405 44 L N -0.568 120.532 121.223 -0.205 0.000 2.093 44 L HA -0.138 4.200 4.340 -0.003 0.000 0.208 44 L C 2.754 179.548 176.870 -0.128 0.000 1.085 44 L CA 1.029 55.744 54.840 -0.208 0.000 0.755 44 L CB -0.924 40.912 42.059 -0.371 0.000 0.904 44 L HN 0.310 nan 8.230 nan 0.000 0.435 45 A N -0.271 122.487 122.820 -0.104 0.000 2.019 45 A HA -0.164 4.154 4.320 -0.003 0.000 0.219 45 A C 1.772 179.329 177.584 -0.044 0.000 1.164 45 A CA 1.445 53.459 52.037 -0.038 0.000 0.644 45 A CB -0.500 18.501 19.000 0.002 0.000 0.805 45 A HN 0.498 nan 8.150 nan 0.000 0.449 46 N N -0.751 117.909 118.700 -0.066 0.000 2.276 46 N HA 0.196 4.934 4.740 -0.003 0.000 0.212 46 N C 0.860 176.339 175.510 -0.052 0.000 1.127 46 N CA 0.687 53.703 53.050 -0.058 0.000 0.834 46 N CB 0.416 38.862 38.487 -0.068 0.000 1.014 46 N HN 0.590 nan 8.380 nan 0.000 0.491 47 G N 1.006 109.773 108.800 -0.054 0.000 2.143 47 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.249 47 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.249 47 G C -0.108 174.759 174.900 -0.056 0.000 0.981 47 G CA -0.172 44.900 45.100 -0.048 0.000 0.665 47 G HN 0.266 nan 8.290 nan 0.000 0.528 48 L N 0.108 121.288 121.223 -0.071 0.000 2.280 48 L HA 0.532 4.870 4.340 -0.003 0.000 0.287 48 L C 1.565 178.383 176.870 -0.087 0.000 1.023 48 L CA -0.591 54.206 54.840 -0.070 0.000 0.819 48 L CB 1.386 43.403 42.059 -0.069 0.000 1.212 48 L HN 0.386 nan 8.230 nan 0.000 0.420 49 R N 0.503 120.959 120.500 -0.072 0.000 2.254 49 R HA 0.240 4.578 4.340 -0.003 0.000 0.193 49 R C 0.350 176.615 176.300 -0.058 0.000 0.929 49 R CA -0.151 55.903 56.100 -0.077 0.000 1.038 49 R CB 0.282 30.545 30.300 -0.063 0.000 1.009 49 R HN 0.441 nan 8.270 nan 0.000 0.512 50 S N 0.810 116.481 115.700 -0.050 0.000 2.601 50 S HA 0.364 4.832 4.470 -0.003 0.000 0.271 50 S C 0.414 174.985 174.600 -0.047 0.000 1.305 50 S CA -0.623 57.551 58.200 -0.043 0.000 1.022 50 S CB 1.291 64.466 63.200 -0.041 0.000 0.940 50 S HN 0.511 nan 8.310 nan 0.000 0.525 51 C N 0.667 119.940 119.300 -0.046 0.000 3.459 51 C HA 0.958 5.416 4.460 -0.003 0.000 0.358 51 C C 1.034 175.992 174.990 -0.053 0.000 2.992 51 C CA -0.882 58.108 59.018 -0.048 0.000 1.568 51 C CB -0.436 27.278 27.740 -0.043 0.000 3.388 51 C HN 0.819 nan 8.230 nan 0.000 0.515 52 G N 1.818 110.584 108.800 -0.056 0.000 2.484 52 G HA2 0.369 4.327 3.960 -0.003 0.000 0.235 52 G HA3 0.369 4.327 3.960 -0.003 0.000 0.235 52 G C -0.259 174.597 174.900 -0.073 0.000 1.282 52 G CA 0.112 45.175 45.100 -0.062 0.000 0.857 52 G HN 0.780 nan 8.290 nan 0.000 0.571 53 N N -0.351 118.307 118.700 -0.070 0.000 2.340 53 N HA 0.155 4.893 4.740 -0.003 0.000 0.236 53 N C 1.064 176.516 175.510 -0.098 0.000 1.296 53 N CA 0.089 53.094 53.050 -0.076 0.000 0.896 53 N CB 0.686 39.138 38.487 -0.059 0.000 1.127 53 N HN 0.671 nan 8.380 nan 0.000 0.442 54 S N -0.190 115.446 115.700 -0.106 0.000 2.584 54 S HA 0.014 4.482 4.470 -0.003 0.000 0.270 54 S C 1.299 175.818 174.600 -0.134 0.000 1.346 54 S CA -0.484 57.640 58.200 -0.127 0.000 1.018 54 S CB 0.471 63.595 63.200 -0.127 0.000 0.899 54 S HN 0.643 nan 8.310 nan 0.000 0.542 55 M N 1.346 120.817 119.600 -0.216 0.000 2.200 55 M HA 0.021 4.499 4.480 -0.003 0.000 0.265 55 M C 0.620 176.660 176.300 -0.434 0.000 1.066 55 M CA 1.546 56.605 55.300 -0.401 0.000 1.127 55 M CB -0.130 32.071 32.600 -0.666 0.000 1.379 55 M HN 0.873 nan 8.290 nan 0.000 0.420 56 Y N -0.892 119.416 120.300 0.014 0.000 2.539 56 Y HA 0.238 4.787 4.550 -0.003 0.000 0.284 56 Y C 1.637 177.562 175.900 0.043 0.000 1.134 56 Y CA 0.463 58.578 58.100 0.026 0.000 1.251 56 Y CB -0.024 38.455 38.460 0.032 0.000 1.260 56 Y HN 0.061 nan 8.280 nan 0.000 0.528 57 L N -0.262 121.087 121.223 0.211 0.000 2.567 57 L HA 0.083 4.421 4.340 -0.003 0.000 0.225 57 L C 0.242 177.176 176.870 0.106 0.000 1.119 57 L CA 0.635 55.582 54.840 0.178 0.000 0.871 57 L CB -0.089 42.124 42.059 0.257 0.000 1.036 57 L HN 0.129 nan 8.230 nan 0.000 0.459 58 D N 0.995 121.426 120.400 0.051 0.000 2.837 58 D HA -0.204 4.435 4.640 -0.003 0.000 0.230 58 D C 0.465 176.764 176.300 -0.002 0.000 1.152 58 D CA 0.562 54.566 54.000 0.008 0.000 0.736 58 D CB -0.341 40.469 40.800 0.017 0.000 1.084 58 D HN 0.256 nan 8.370 nan 0.000 0.429 59 R N 0.089 120.584 120.500 -0.009 0.000 2.615 59 R HA 0.470 4.808 4.340 -0.003 0.000 0.270 59 R C -2.195 174.062 176.300 -0.073 0.000 1.081 59 R CA -1.441 54.636 56.100 -0.037 0.000 1.154 59 R CB 0.401 30.671 30.300 -0.049 0.000 1.063 59 R HN 0.079 nan 8.270 nan 0.000 0.519 60 P HA 0.037 nan 4.420 nan 0.000 0.267 60 P C -0.824 176.419 177.300 -0.095 0.000 1.205 60 P CA 0.442 63.499 63.100 -0.071 0.000 0.765 60 P CB 0.698 32.364 31.700 -0.057 0.000 0.828 61 R N 1.771 122.219 120.500 -0.087 0.000 2.771 61 R HA 0.812 5.150 4.340 -0.003 0.000 0.274 61 R C 0.059 176.326 176.300 -0.055 0.000 0.987 61 R CA -0.780 55.262 56.100 -0.097 0.000 0.908 61 R CB 2.382 32.607 30.300 -0.126 0.000 1.213 61 R HN 0.616 nan 8.270 nan 0.000 0.468 62 G N 0.460 109.247 108.800 -0.023 0.000 2.730 62 G HA2 0.542 4.500 3.960 -0.003 0.000 0.289 62 G HA3 0.542 4.500 3.960 -0.003 0.000 0.289 62 G C -0.566 174.362 174.900 0.047 0.000 1.341 62 G CA -0.834 44.268 45.100 0.003 0.000 0.932 62 G HN 0.384 nan 8.290 nan 0.000 0.481 63 I N 0.338 120.927 120.570 0.031 0.000 2.710 63 I HA 0.044 4.212 4.170 -0.003 0.000 0.286 63 I C 0.639 176.856 176.117 0.167 0.000 1.181 63 I CA 0.297 61.641 61.300 0.072 0.000 1.430 63 I CB 0.615 38.609 38.000 -0.010 0.000 1.367 63 I HN 0.493 nan 8.210 nan 0.000 0.577 64 F N 4.876 124.845 119.950 0.032 0.000 2.680 64 F HA 0.159 4.684 4.527 -0.003 0.000 0.290 64 F C 1.141 176.990 175.800 0.083 0.000 1.114 64 F CA 0.385 58.408 58.000 0.038 0.000 1.333 64 F CB 0.386 39.389 39.000 0.005 0.000 1.091 64 F HN 0.546 nan 8.300 nan 0.000 0.606 65 S N -0.691 115.089 115.700 0.134 0.000 2.840 65 S HA 0.745 5.213 4.470 -0.003 0.000 0.307 65 S C -0.324 174.353 174.600 0.127 0.000 1.180 65 S CA -0.127 58.106 58.200 0.055 0.000 0.846 65 S CB 1.134 64.390 63.200 0.092 0.000 1.233 65 S HN 0.284 nan 8.310 nan 0.000 0.548 66 A N -0.400 122.423 122.820 0.006 0.000 2.616 66 A HA 0.800 5.119 4.320 -0.003 0.000 0.294 66 A C 0.542 178.146 177.584 0.033 0.000 1.091 66 A CA 0.177 52.181 52.037 -0.055 0.000 0.971 66 A CB -0.512 18.252 19.000 -0.392 0.000 1.222 66 A HN 1.572 nan 8.150 nan 0.000 0.521 67 G N -1.742 107.088 108.800 0.051 0.000 2.815 67 G HA2 0.400 4.358 3.960 -0.003 0.000 0.305 67 G HA3 0.400 4.358 3.960 -0.003 0.000 0.305 67 G C 0.336 175.258 174.900 0.038 0.000 1.277 67 G CA 0.407 45.543 45.100 0.060 0.000 0.795 67 G HN 0.273 nan 8.290 nan 0.000 0.528 68 V N 1.256 121.192 119.914 0.036 0.000 3.078 68 V HA -0.010 4.108 4.120 -0.003 0.000 0.265 68 V C 2.387 178.434 176.094 -0.078 0.000 1.122 68 V CA 2.386 64.685 62.300 -0.001 0.000 1.141 68 V CB -0.368 31.479 31.823 0.041 0.000 0.735 68 V HN 0.741 nan 8.190 nan 0.000 0.498 69 E N 0.385 120.494 120.200 -0.151 0.000 2.502 69 E HA -0.119 4.229 4.350 -0.003 0.000 0.194 69 E C 0.840 177.427 176.600 -0.022 0.000 1.062 69 E CA -0.101 56.183 56.400 -0.192 0.000 0.867 69 E CB -0.241 29.222 29.700 -0.394 0.000 0.888 69 E HN 0.623 nan 8.360 nan 0.000 0.510 70 E N 3.148 123.360 120.200 0.020 0.000 2.694 70 E HA -0.067 4.281 4.350 -0.003 0.000 0.250 70 E C -1.686 174.937 176.600 0.039 0.000 0.963 70 E CA -0.860 55.586 56.400 0.076 0.000 0.949 70 E CB 1.022 30.762 29.700 0.066 0.000 0.911 70 E HN 0.023 nan 8.360 nan 0.000 0.500 71 P HA 0.114 nan 4.420 nan 0.000 0.236 71 P C 0.076 177.332 177.300 -0.072 0.000 1.174 71 P CA 0.344 63.413 63.100 -0.053 0.000 0.840 71 P CB 0.637 32.245 31.700 -0.153 0.000 0.947 72 N N 0.419 119.089 118.700 -0.050 0.000 2.508 72 N HA 0.097 4.836 4.740 -0.003 0.000 0.186 72 N C 0.895 176.379 175.510 -0.042 0.000 1.034 72 N CA 0.519 53.526 53.050 -0.071 0.000 0.885 72 N CB -0.427 38.021 38.487 -0.066 0.000 1.135 72 N HN -0.017 nan 8.380 nan 0.000 0.435 73 A N 2.064 124.879 122.820 -0.008 0.000 3.016 73 A HA 0.434 4.752 4.320 -0.003 0.000 0.303 73 A C -0.085 177.488 177.584 -0.018 0.000 1.507 73 A CA -0.289 51.740 52.037 -0.014 0.000 1.196 73 A CB -0.825 18.178 19.000 0.005 0.000 1.169 73 A HN 0.129 nan 8.150 nan 0.000 0.544 74 L N 2.353 123.556 121.223 -0.033 0.000 2.379 74 L HA 0.674 5.012 4.340 -0.003 0.000 0.269 74 L C 0.110 176.959 176.870 -0.035 0.000 1.084 74 L CA -0.581 54.239 54.840 -0.033 0.000 0.802 74 L CB 1.377 43.410 42.059 -0.043 0.000 1.175 74 L HN 0.670 nan 8.230 nan 0.000 0.448 75 I N -2.107 118.445 120.570 -0.030 0.000 2.865 75 I HA 0.468 4.636 4.170 -0.003 0.000 0.302 75 I C -0.545 175.554 176.117 -0.031 0.000 1.140 75 I CA -0.600 60.681 61.300 -0.031 0.000 1.021 75 I CB 2.293 40.276 38.000 -0.027 0.000 1.233 75 I HN 0.303 nan 8.210 nan 0.000 0.427 76 T N 3.843 118.377 114.554 -0.033 0.000 2.749 76 T HA 0.384 4.733 4.350 -0.003 0.000 0.295 76 T C -0.044 174.640 174.700 -0.027 0.000 0.936 76 T CA -0.259 61.822 62.100 -0.032 0.000 1.060 76 T CB 1.180 70.028 68.868 -0.035 0.000 0.904 76 T HN 0.372 nan 8.240 nan 0.000 0.500 77 V N 3.799 123.699 119.914 -0.024 0.000 2.407 77 V HA 0.519 4.637 4.120 -0.003 0.000 0.278 77 V C 1.095 177.172 176.094 -0.029 0.000 1.037 77 V CA -0.710 61.577 62.300 -0.022 0.000 0.900 77 V CB 1.336 33.151 31.823 -0.013 0.000 0.983 77 V HN 1.021 nan 8.190 nan 0.000 0.459 78 G N 3.451 112.233 108.800 -0.031 0.000 2.527 78 G HA2 0.471 4.429 3.960 -0.003 0.000 0.248 78 G HA3 0.471 4.429 3.960 -0.003 0.000 0.248 78 G C 0.395 175.264 174.900 -0.052 0.000 1.231 78 G CA 0.015 45.093 45.100 -0.036 0.000 0.838 78 G HN 1.200 nan 8.290 nan 0.000 0.570 79 A N 1.669 124.453 122.820 -0.060 0.000 2.591 79 A HA 0.110 4.428 4.320 -0.003 0.000 0.244 79 A C 1.617 179.123 177.584 -0.130 0.000 1.031 79 A CA 0.060 52.036 52.037 -0.102 0.000 0.767 79 A CB 0.205 19.160 19.000 -0.076 0.000 0.942 79 A HN 0.684 nan 8.150 nan 0.000 0.514 80 R N 1.405 121.762 120.500 -0.237 0.000 2.275 80 R HA 0.072 4.410 4.340 -0.003 0.000 0.199 80 R C -0.010 176.216 176.300 -0.123 0.000 0.989 80 R CA 1.261 57.253 56.100 -0.179 0.000 1.016 80 R CB -0.630 29.588 30.300 -0.137 0.000 0.918 80 R HN 1.052 nan 8.270 nan 0.000 0.473 81 H N -4.520 114.551 119.070 0.002 0.000 2.876 81 H HA 0.223 4.777 4.556 -0.003 0.000 0.284 81 H C 0.151 175.480 175.328 0.001 0.000 1.445 81 H CA -0.818 55.229 56.048 -0.002 0.000 1.141 81 H CB 0.121 29.879 29.762 -0.007 0.000 1.816 81 H HN -0.387 nan 8.280 nan 0.000 0.511 82 Q N -0.068 119.866 119.800 0.223 0.000 2.439 82 Q HA 0.076 4.415 4.340 -0.003 0.000 0.211 82 Q C 0.822 176.923 176.000 0.168 0.000 0.978 82 Q CA 1.219 57.102 55.803 0.133 0.000 0.897 82 Q CB -0.006 28.779 28.738 0.078 0.000 0.956 82 Q HN 0.651 nan 8.270 nan 0.000 0.483 83 A N 0.688 123.736 122.820 0.380 0.000 2.797 83 A HA 0.183 4.501 4.320 -0.003 0.000 0.287 83 A C -0.462 177.226 177.584 0.175 0.000 1.369 83 A CA -0.226 51.972 52.037 0.269 0.000 0.968 83 A CB 0.081 19.207 19.000 0.210 0.000 1.069 83 A HN 0.004 nan 8.150 nan 0.000 0.571 84 D N -0.522 119.880 120.400 0.002 0.000 2.570 84 D HA 0.655 5.294 4.640 -0.003 0.000 0.244 84 D C -0.536 175.729 176.300 -0.059 0.000 1.178 84 D CA -0.272 53.648 54.000 -0.134 0.000 0.881 84 D CB 1.805 42.306 40.800 -0.497 0.000 1.453 84 D HN 0.280 nan 8.370 nan 0.000 0.447 85 I N -1.484 119.063 120.570 -0.037 0.000 3.206 85 I HA 0.635 4.803 4.170 -0.003 0.000 0.313 85 I C -0.486 175.611 176.117 -0.033 0.000 1.103 85 I CA -1.099 60.188 61.300 -0.022 0.000 0.985 85 I CB 1.520 39.523 38.000 0.006 0.000 1.240 85 I HN 0.050 nan 8.210 nan 0.000 0.464 86 N N 2.298 120.981 118.700 -0.028 0.000 2.513 86 N HA 0.186 4.924 4.740 -0.003 0.000 0.268 86 N C -0.918 174.576 175.510 -0.026 0.000 1.180 86 N CA 0.077 53.109 53.050 -0.030 0.000 0.948 86 N CB 0.785 39.255 38.487 -0.030 0.000 1.083 86 N HN 0.663 nan 8.380 nan 0.000 0.455 87 E N 0.413 120.598 120.200 -0.025 0.000 2.224 87 E HA 0.323 4.672 4.350 -0.003 0.000 0.265 87 E C -1.190 175.391 176.600 -0.031 0.000 0.878 87 E CA -0.456 55.929 56.400 -0.024 0.000 0.759 87 E CB 1.274 30.971 29.700 -0.005 0.000 1.164 87 E HN 0.391 nan 8.360 nan 0.000 0.414 88 S N 3.349 119.023 115.700 -0.044 0.000 2.722 88 S HA 0.418 4.886 4.470 -0.003 0.000 0.292 88 S C 0.201 174.773 174.600 -0.047 0.000 1.135 88 S CA -0.352 57.821 58.200 -0.046 0.000 1.003 88 S CB 0.626 63.792 63.200 -0.056 0.000 1.067 88 S HN 0.754 nan 8.310 nan 0.000 0.546 89 M N 0.851 120.424 119.600 -0.045 0.000 2.461 89 M HA -0.162 4.316 4.480 -0.003 0.000 0.203 89 M C -1.218 175.062 176.300 -0.033 0.000 0.428 89 M CA 0.673 55.947 55.300 -0.043 0.000 0.509 89 M CB -2.506 30.064 32.600 -0.050 0.000 1.851 89 M HN 0.455 nan 8.290 nan 0.000 0.834 90 L N 0.839 122.047 121.223 -0.025 0.000 2.322 90 L HA 0.536 4.875 4.340 -0.003 0.000 0.279 90 L C -1.762 175.102 176.870 -0.010 0.000 1.036 90 L CA -1.888 52.944 54.840 -0.013 0.000 0.807 90 L CB 1.502 43.559 42.059 -0.003 0.000 1.226 90 L HN -0.094 nan 8.230 nan 0.000 0.433 91 P HA 0.064 nan 4.420 nan 0.000 0.271 91 P C 0.058 177.366 177.300 0.013 0.000 1.226 91 P CA -0.148 62.955 63.100 0.005 0.000 0.765 91 P CB 1.217 32.924 31.700 0.012 0.000 0.835 92 A N 3.454 126.279 122.820 0.008 0.000 2.070 92 A HA -0.134 4.184 4.320 -0.003 0.000 0.220 92 A C 1.774 179.367 177.584 0.015 0.000 1.159 92 A CA 2.059 54.097 52.037 0.002 0.000 0.656 92 A CB -1.493 17.498 19.000 -0.014 0.000 0.800 92 A HN 0.576 nan 8.150 nan 0.000 0.453 93 T N -3.222 111.356 114.554 0.039 0.000 3.085 93 T HA -0.024 4.324 4.350 -0.003 0.000 0.263 93 T C 1.242 175.986 174.700 0.074 0.000 1.127 93 T CA 1.612 63.753 62.100 0.069 0.000 1.103 93 T CB -0.534 68.393 68.868 0.098 0.000 0.921 93 T HN 0.584 nan 8.240 nan 0.000 0.510 94 T N -1.243 113.347 114.554 0.060 0.000 3.145 94 T HA 0.435 4.783 4.350 -0.003 0.000 0.281 94 T C 0.094 174.835 174.700 0.067 0.000 1.003 94 T CA -0.468 61.677 62.100 0.074 0.000 0.901 94 T CB -0.020 68.886 68.868 0.065 0.000 1.112 94 T HN 0.145 nan 8.240 nan 0.000 0.535 95 V N 2.829 122.775 119.914 0.053 0.000 2.368 95 V HA 0.367 4.485 4.120 -0.003 0.000 0.266 95 V C 0.362 176.494 176.094 0.063 0.000 1.045 95 V CA -0.490 61.842 62.300 0.053 0.000 0.899 95 V CB 0.772 32.614 31.823 0.031 0.000 1.006 95 V HN 0.474 nan 8.190 nan 0.000 0.470 96 S N 4.404 120.160 115.700 0.093 0.000 2.516 96 S HA 0.197 4.665 4.470 -0.003 0.000 0.282 96 S C 0.210 174.867 174.600 0.095 0.000 1.286 96 S CA -0.405 57.864 58.200 0.116 0.000 1.066 96 S CB 0.986 64.283 63.200 0.161 0.000 0.884 96 S HN 0.487 nan 8.310 nan 0.000 0.491 97 V N 4.943 124.904 119.914 0.078 0.000 2.599 97 V HA 0.162 4.280 4.120 -0.003 0.000 0.300 97 V C 0.961 177.095 176.094 0.066 0.000 1.034 97 V CA 0.020 62.351 62.300 0.052 0.000 1.115 97 V CB 0.330 32.172 31.823 0.030 0.000 0.934 97 V HN 1.018 nan 8.190 nan 0.000 0.485 98 T N 0.860 115.442 114.554 0.048 0.000 2.940 98 T HA 0.408 4.756 4.350 -0.003 0.000 0.288 98 T C -0.498 174.218 174.700 0.027 0.000 1.033 98 T CA -0.926 61.200 62.100 0.044 0.000 1.033 98 T CB 1.624 70.520 68.868 0.046 0.000 1.079 98 T HN 0.527 nan 8.240 nan 0.000 0.496 99 D N 0.434 120.849 120.400 0.025 0.000 2.450 99 D HA 0.374 5.013 4.640 -0.003 0.000 0.247 99 D C 1.591 177.897 176.300 0.010 0.000 1.162 99 D CA 1.607 55.615 54.000 0.013 0.000 0.879 99 D CB 0.030 40.839 40.800 0.015 0.000 1.163 99 D HN 1.088 nan 8.370 nan 0.000 0.472 100 G N 3.257 112.056 108.800 -0.001 0.000 2.168 100 G HA2 -0.296 3.662 3.960 -0.003 0.000 0.257 100 G HA3 -0.296 3.662 3.960 -0.003 0.000 0.257 100 G C 0.550 175.447 174.900 -0.005 0.000 0.997 100 G CA 0.405 45.502 45.100 -0.004 0.000 0.708 100 G HN 0.619 nan 8.290 nan 0.000 0.520 101 L N -0.149 121.072 121.223 -0.004 0.000 2.514 101 L HA 0.412 4.750 4.340 -0.003 0.000 0.280 101 L C 0.295 177.155 176.870 -0.016 0.000 1.223 101 L CA -0.026 54.810 54.840 -0.008 0.000 0.864 101 L CB 0.371 42.428 42.059 -0.003 0.000 1.118 101 L HN 0.239 nan 8.230 nan 0.000 0.494 102 N N 3.221 121.910 118.700 -0.019 0.000 2.372 102 N HA 0.714 5.452 4.740 -0.003 0.000 0.285 102 N C -1.369 174.126 175.510 -0.024 0.000 1.008 102 N CA -0.253 52.784 53.050 -0.022 0.000 0.880 102 N CB 1.890 40.364 38.487 -0.022 0.000 1.239 102 N HN 0.732 nan 8.380 nan 0.000 0.484 103 A N 1.547 124.351 122.820 -0.026 0.000 2.393 103 A HA 0.713 5.031 4.320 -0.003 0.000 0.306 103 A C -0.847 176.719 177.584 -0.030 0.000 1.050 103 A CA -0.596 51.425 52.037 -0.028 0.000 0.724 103 A CB 1.112 20.095 19.000 -0.029 0.000 1.248 103 A HN 0.473 nan 8.150 nan 0.000 0.424 104 T N 2.897 117.433 114.554 -0.031 0.000 2.779 104 T HA 0.482 4.830 4.350 -0.003 0.000 0.280 104 T C -0.095 174.583 174.700 -0.037 0.000 0.987 104 T CA -0.245 61.834 62.100 -0.033 0.000 0.966 104 T CB 0.593 69.442 68.868 -0.033 0.000 0.933 104 T HN 0.477 nan 8.240 nan 0.000 0.442 105 L N 4.077 125.277 121.223 -0.039 0.000 2.462 105 L HA 0.308 4.647 4.340 -0.003 0.000 0.272 105 L C 0.209 177.050 176.870 -0.048 0.000 1.166 105 L CA -0.270 54.544 54.840 -0.043 0.000 0.880 105 L CB 0.033 42.065 42.059 -0.045 0.000 1.142 105 L HN 0.392 nan 8.230 nan 0.000 0.473 106 L N 2.352 123.544 121.223 -0.052 0.000 2.400 106 L HA 0.388 4.726 4.340 -0.003 0.000 0.264 106 L C 0.554 177.380 176.870 -0.074 0.000 1.061 106 L CA -0.355 54.449 54.840 -0.060 0.000 0.799 106 L CB 1.456 43.479 42.059 -0.060 0.000 1.240 106 L HN 0.528 nan 8.230 nan 0.000 0.461 107 S N 0.278 115.925 115.700 -0.089 0.000 2.422 107 S HA 0.369 4.837 4.470 -0.003 0.000 0.226 107 S C 0.731 175.240 174.600 -0.151 0.000 1.242 107 S CA 0.218 58.348 58.200 -0.116 0.000 1.231 107 S CB 0.721 63.853 63.200 -0.113 0.000 1.067 107 S HN 1.046 nan 8.310 nan 0.000 0.462 108 G N 1.034 109.757 108.800 -0.129 0.000 2.205 108 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.261 108 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.261 108 G C -0.275 174.554 174.900 -0.117 0.000 0.980 108 G CA 0.067 45.084 45.100 -0.137 0.000 0.632 108 G HN 0.518 nan 8.290 nan 0.000 0.533 109 L N 1.596 122.755 121.223 -0.106 0.000 2.356 109 L HA 0.798 5.136 4.340 -0.003 0.000 0.277 109 L C 0.814 177.645 176.870 -0.066 0.000 0.996 109 L CA -0.025 54.766 54.840 -0.081 0.000 0.822 109 L CB 1.406 43.415 42.059 -0.082 0.000 1.256 109 L HN 0.386 nan 8.230 nan 0.000 0.413 110 G N 3.462 112.227 108.800 -0.060 0.000 2.562 110 G HA2 0.559 4.517 3.960 -0.003 0.000 0.275 110 G HA3 0.559 4.517 3.960 -0.003 0.000 0.275 110 G C -1.227 173.640 174.900 -0.055 0.000 1.196 110 G CA -0.437 44.628 45.100 -0.059 0.000 0.908 110 G HN 0.487 nan 8.290 nan 0.000 0.524 111 V N 0.667 120.548 119.914 -0.054 0.000 2.540 111 V HA 0.391 4.509 4.120 -0.003 0.000 0.302 111 V C -0.004 176.055 176.094 -0.058 0.000 1.035 111 V CA -0.672 61.597 62.300 -0.050 0.000 0.873 111 V CB 1.561 33.359 31.823 -0.041 0.000 0.992 111 V HN 0.570 nan 8.190 nan 0.000 0.428 112 L N 3.180 124.367 121.223 -0.061 0.000 2.292 112 L HA 0.430 4.769 4.340 -0.003 0.000 0.284 112 L C 0.309 177.150 176.870 -0.048 0.000 1.065 112 L CA -0.342 54.457 54.840 -0.068 0.000 0.806 112 L CB 0.971 42.981 42.059 -0.082 0.000 1.175 112 L HN 0.618 nan 8.230 nan 0.000 0.431 113 D N 4.597 124.972 120.400 -0.043 0.000 2.417 113 D HA 0.078 4.717 4.640 -0.003 0.000 0.250 113 D C -1.659 174.627 176.300 -0.023 0.000 1.166 113 D CA -1.230 52.753 54.000 -0.028 0.000 0.881 113 D CB 1.657 42.444 40.800 -0.022 0.000 1.164 113 D HN 0.275 nan 8.370 nan 0.000 0.467 114 P HA 0.070 nan 4.420 nan 0.000 0.245 114 P C -0.211 177.088 177.300 -0.003 0.000 1.206 114 P CA -0.008 63.085 63.100 -0.011 0.000 0.781 114 P CB 0.335 32.029 31.700 -0.009 0.000 0.994 115 S N 0.825 116.525 115.700 -0.000 0.000 2.562 115 S HA 0.065 4.533 4.470 -0.003 0.000 0.281 115 S C 0.408 175.018 174.600 0.015 0.000 1.333 115 S CA -0.352 57.853 58.200 0.008 0.000 1.052 115 S CB 0.373 63.578 63.200 0.009 0.000 0.884 115 S HN 0.169 nan 8.310 nan 0.000 0.506 116 E N 1.426 121.640 120.200 0.023 0.000 2.415 116 E HA -0.006 4.343 4.350 -0.003 0.000 0.262 116 E C -0.462 176.167 176.600 0.049 0.000 1.038 116 E CA -0.157 56.264 56.400 0.035 0.000 0.921 116 E CB 0.436 30.158 29.700 0.038 0.000 0.950 116 E HN 0.439 nan 8.360 nan 0.000 0.438 117 D N 2.865 123.309 120.400 0.072 0.000 2.295 117 D HA 0.089 4.727 4.640 -0.003 0.000 0.248 117 D C -1.754 174.612 176.300 0.110 0.000 1.154 117 D CA -2.021 52.042 54.000 0.104 0.000 0.857 117 D CB 1.018 41.917 40.800 0.165 0.000 1.117 117 D HN 0.116 nan 8.370 nan 0.000 0.468 118 P HA 0.262 nan 4.420 nan 0.000 0.262 118 P C -0.219 177.121 177.300 0.066 0.000 1.304 118 P CA -0.282 62.865 63.100 0.078 0.000 0.859 118 P CB 0.277 32.016 31.700 0.065 0.000 1.310 119 A N 0.316 123.158 122.820 0.037 0.000 2.366 119 A HA 0.286 4.604 4.320 -0.003 0.000 0.249 119 A C -0.795 176.652 177.584 -0.228 0.000 1.084 119 A CA -0.242 51.721 52.037 -0.124 0.000 0.794 119 A CB -0.129 18.703 19.000 -0.279 0.000 1.034 119 A HN 0.223 nan 8.150 nan 0.000 0.491 120 Y N 0.649 120.707 120.300 -0.403 0.000 2.341 120 Y HA 0.583 5.131 4.550 -0.003 0.000 0.337 120 Y C -1.383 174.258 175.900 -0.431 0.000 1.014 120 Y CA -0.297 57.646 58.100 -0.261 0.000 1.111 120 Y CB 0.917 39.304 38.460 -0.122 0.000 1.194 120 Y HN 0.568 nan 8.280 nan 0.000 0.462 121 Y N 4.473 124.654 120.300 -0.198 0.000 2.446 121 Y HA 0.437 4.985 4.550 -0.003 0.000 0.345 121 Y C -0.581 175.213 175.900 -0.175 0.000 0.984 121 Y CA -0.898 57.170 58.100 -0.053 0.000 1.058 121 Y CB 1.681 40.149 38.460 0.014 0.000 1.220 121 Y HN 0.706 nan 8.280 nan 0.000 0.455 122 D N -1.221 119.276 120.400 0.163 0.000 2.664 122 D HA 0.438 5.076 4.640 -0.003 0.000 0.292 122 D C -1.474 175.032 176.300 0.343 0.000 1.214 122 D CA -0.691 53.377 54.000 0.112 0.000 0.932 122 D CB 1.197 42.036 40.800 0.064 0.000 1.420 122 D HN 0.400 nan 8.370 nan 0.000 0.471 123 H N -1.924 117.151 119.070 0.008 0.000 2.747 123 H HA 0.823 5.378 4.556 -0.003 0.000 0.371 123 H C -0.824 174.430 175.328 -0.122 0.000 1.161 123 H CA -0.879 55.162 56.048 -0.012 0.000 1.167 123 H CB 1.934 31.750 29.762 0.089 0.000 1.732 123 H HN 0.247 nan 8.280 nan 0.000 0.544 124 V N 1.896 121.694 119.914 -0.193 0.000 2.925 124 V HA 0.290 4.408 4.120 -0.003 0.000 0.311 124 V C -0.989 174.943 176.094 -0.270 0.000 1.104 124 V CA -0.729 61.391 62.300 -0.299 0.000 0.954 124 V CB 2.057 33.369 31.823 -0.852 0.000 1.022 124 V HN 0.802 nan 8.190 nan 0.000 0.427 125 H N 2.090 121.125 119.070 -0.059 0.000 2.646 125 H HA 0.716 5.270 4.556 -0.003 0.000 0.328 125 H C -0.402 175.001 175.328 0.125 0.000 0.998 125 H CA -0.440 55.642 56.048 0.057 0.000 1.225 125 H CB 1.798 31.573 29.762 0.022 0.000 1.457 125 H HN 0.603 nan 8.280 nan 0.000 0.505 126 V N 0.161 120.238 119.914 0.272 0.000 3.102 126 V HA 0.640 4.758 4.120 -0.003 0.000 0.312 126 V C -0.619 175.662 176.094 0.313 0.000 1.135 126 V CA -0.924 61.566 62.300 0.316 0.000 1.022 126 V CB 2.300 34.324 31.823 0.335 0.000 1.056 126 V HN 0.669 nan 8.190 nan 0.000 0.436 127 H N -0.094 119.061 119.070 0.142 0.000 2.573 127 H HA 0.897 5.451 4.556 -0.003 0.000 0.351 127 H C -0.143 175.239 175.328 0.091 0.000 1.163 127 H CA 0.085 56.204 56.048 0.118 0.000 1.205 127 H CB 1.982 31.809 29.762 0.108 0.000 1.605 127 H HN 1.061 nan 8.280 nan 0.000 0.525 128 T N -0.159 114.493 114.554 0.162 0.000 2.868 128 T HA 0.172 4.520 4.350 -0.003 0.000 0.306 128 T C 0.081 174.830 174.700 0.081 0.000 1.224 128 T CA -0.618 61.539 62.100 0.095 0.000 1.012 128 T CB 1.128 70.021 68.868 0.041 0.000 1.221 128 T HN 0.557 nan 8.240 nan 0.000 0.499 129 D N 0.677 121.104 120.400 0.045 0.000 2.149 129 D HA 0.113 4.752 4.640 -0.003 0.000 0.206 129 D C 0.481 176.800 176.300 0.032 0.000 0.967 129 D CA 1.217 55.253 54.000 0.060 0.000 0.848 129 D CB 0.297 41.117 40.800 0.033 0.000 0.998 129 D HN 0.278 nan 8.370 nan 0.000 0.474 130 V N 2.080 121.984 119.914 -0.017 0.000 2.409 130 V HA 0.243 4.361 4.120 -0.003 0.000 0.290 130 V C -0.589 175.475 176.094 -0.049 0.000 1.017 130 V CA -0.912 61.368 62.300 -0.032 0.000 0.841 130 V CB 2.158 33.943 31.823 -0.065 0.000 1.003 130 V HN -0.029 nan 8.190 nan 0.000 0.426 131 L N 7.111 128.309 121.223 -0.042 0.000 2.264 131 L HA 0.673 5.012 4.340 -0.003 0.000 0.289 131 L C -0.349 176.479 176.870 -0.071 0.000 1.044 131 L CA 0.235 55.034 54.840 -0.068 0.000 0.807 131 L CB 1.509 43.524 42.059 -0.073 0.000 1.192 131 L HN 0.445 nan 8.230 nan 0.000 0.425 132 V N 5.952 125.812 119.914 -0.090 0.000 2.394 132 V HA 0.425 4.543 4.120 -0.003 0.000 0.282 132 V C -0.208 175.827 176.094 -0.099 0.000 1.031 132 V CA -0.701 61.545 62.300 -0.089 0.000 0.881 132 V CB 1.533 33.297 31.823 -0.098 0.000 0.982 132 V HN 0.526 nan 8.190 nan 0.000 0.451 133 V N 4.158 124.015 119.914 -0.096 0.000 2.311 133 V HA 0.882 5.000 4.120 -0.003 0.000 0.275 133 V C 0.558 176.589 176.094 -0.105 0.000 1.022 133 V CA 0.251 62.485 62.300 -0.111 0.000 0.830 133 V CB 0.501 32.246 31.823 -0.131 0.000 1.012 133 V HN 1.334 nan 8.190 nan 0.000 0.452 134 G N 4.019 112.765 108.800 -0.090 0.000 2.911 134 G HA2 0.354 4.313 3.960 -0.003 0.000 0.686 134 G HA3 0.354 4.313 3.960 -0.003 0.000 0.686 134 G C -0.254 174.612 174.900 -0.057 0.000 1.136 134 G CA -0.211 44.847 45.100 -0.070 0.000 0.764 134 G HN 1.568 nan 8.290 nan 0.000 0.626 135 A N 1.298 124.099 122.820 -0.032 0.000 2.812 135 A HA 0.808 5.126 4.320 -0.003 0.000 0.294 135 A C 1.233 178.817 177.584 0.000 0.000 1.014 135 A CA 1.099 53.118 52.037 -0.030 0.000 1.024 135 A CB -0.127 18.869 19.000 -0.008 0.000 1.162 135 A HN 2.207 nan 8.150 nan 0.000 0.511 136 G N 0.347 109.145 108.800 -0.003 0.000 2.516 136 G HA2 0.427 4.385 3.960 -0.003 0.000 0.276 136 G HA3 0.427 4.385 3.960 -0.003 0.000 0.276 136 G C -0.736 174.188 174.900 0.040 0.000 1.390 136 G CA -0.717 44.390 45.100 0.011 0.000 1.050 136 G HN 0.113 nan 8.290 nan 0.000 0.519 137 P HA -0.191 nan 4.420 nan 0.000 0.216 137 P C 1.865 179.188 177.300 0.038 0.000 1.153 137 P CA 2.315 65.439 63.100 0.041 0.000 0.858 137 P CB -0.016 31.628 31.700 -0.095 0.000 0.789 138 A N 0.359 123.172 122.820 -0.012 0.000 1.855 138 A HA -0.023 4.296 4.320 -0.003 0.000 0.215 138 A C 2.669 180.249 177.584 -0.007 0.000 1.191 138 A CA 2.083 54.110 52.037 -0.018 0.000 0.613 138 A CB -1.882 17.091 19.000 -0.045 0.000 0.829 138 A HN 0.300 nan 8.150 nan 0.000 0.442 139 G N -0.526 108.262 108.800 -0.021 0.000 2.443 139 G HA2 -0.058 3.900 3.960 -0.003 0.000 0.219 139 G HA3 -0.058 3.900 3.960 -0.003 0.000 0.219 139 G C 1.545 176.419 174.900 -0.044 0.000 1.131 139 G CA 0.864 45.938 45.100 -0.043 0.000 0.775 139 G HN 0.402 nan 8.290 nan 0.000 0.547 140 L N 0.627 121.850 121.223 -0.001 0.000 2.017 140 L HA -0.086 4.252 4.340 -0.003 0.000 0.208 140 L C 3.412 180.300 176.870 0.029 0.000 1.073 140 L CA 1.201 56.034 54.840 -0.012 0.000 0.745 140 L CB -0.397 41.713 42.059 0.085 0.000 0.894 140 L HN 0.297 nan 8.230 nan 0.000 0.432 141 A N -0.194 122.727 122.820 0.168 0.000 1.902 141 A HA -0.189 4.129 4.320 -0.003 0.000 0.217 141 A C 2.490 180.094 177.584 0.034 0.000 1.181 141 A CA 1.805 53.938 52.037 0.159 0.000 0.623 141 A CB -0.735 18.360 19.000 0.159 0.000 0.818 141 A HN 0.431 nan 8.150 nan 0.000 0.443 142 A N -0.281 122.535 122.820 -0.006 0.000 1.898 142 A HA 0.201 4.519 4.320 -0.003 0.000 0.216 142 A C 2.482 180.022 177.584 -0.072 0.000 1.181 142 A CA 1.992 54.001 52.037 -0.047 0.000 0.620 142 A CB -0.919 18.044 19.000 -0.062 0.000 0.819 142 A HN 1.025 nan 8.150 nan 0.000 0.442 143 A N -0.549 122.217 122.820 -0.090 0.000 1.929 143 A HA -0.091 4.227 4.320 -0.003 0.000 0.216 143 A C 2.233 179.745 177.584 -0.121 0.000 1.176 143 A CA 1.463 53.426 52.037 -0.123 0.000 0.628 143 A CB -0.480 18.418 19.000 -0.171 0.000 0.816 143 A HN 0.528 nan 8.150 nan 0.000 0.444 144 R N -0.232 120.200 120.500 -0.114 0.000 2.082 144 R HA -0.170 4.168 4.340 -0.003 0.000 0.234 144 R C 1.978 178.233 176.300 -0.075 0.000 1.136 144 R CA 1.797 57.832 56.100 -0.108 0.000 0.935 144 R CB -0.268 29.968 30.300 -0.105 0.000 0.842 144 R HN 0.471 nan 8.270 nan 0.000 0.430 145 E N 0.243 120.413 120.200 -0.050 0.000 2.085 145 E HA -0.195 4.153 4.350 -0.003 0.000 0.194 145 E C 1.854 178.421 176.600 -0.055 0.000 0.994 145 E CA 1.478 57.853 56.400 -0.042 0.000 0.801 145 E CB -0.341 29.340 29.700 -0.032 0.000 0.743 145 E HN 0.484 nan 8.360 nan 0.000 0.453 146 A N 0.818 123.593 122.820 -0.075 0.000 1.969 146 A HA -0.124 4.194 4.320 -0.003 0.000 0.218 146 A C 2.404 179.924 177.584 -0.105 0.000 1.169 146 A CA 1.713 53.699 52.037 -0.086 0.000 0.635 146 A CB -0.469 18.471 19.000 -0.101 0.000 0.810 146 A HN 0.239 nan 8.150 nan 0.000 0.445 147 S N -0.370 115.266 115.700 -0.106 0.000 2.355 147 S HA -0.162 4.307 4.470 -0.003 0.000 0.222 147 S C 2.116 176.659 174.600 -0.095 0.000 1.031 147 S CA 1.283 59.416 58.200 -0.113 0.000 0.993 147 S CB -0.336 62.799 63.200 -0.109 0.000 0.859 147 S HN 0.624 nan 8.310 nan 0.000 0.453 148 R N 0.939 121.396 120.500 -0.071 0.000 2.200 148 R HA -0.045 4.293 4.340 -0.003 0.000 0.234 148 R C 2.495 178.778 176.300 -0.028 0.000 1.127 148 R CA 1.411 57.483 56.100 -0.047 0.000 0.989 148 R CB -0.410 29.869 30.300 -0.035 0.000 0.869 148 R HN 0.622 nan 8.270 nan 0.000 0.459 149 S N -1.071 114.610 115.700 -0.032 0.000 2.522 149 S HA 0.063 4.531 4.470 -0.003 0.000 0.227 149 S C 1.526 176.144 174.600 0.029 0.000 0.986 149 S CA 0.654 58.867 58.200 0.022 0.000 0.929 149 S CB 0.531 63.763 63.200 0.054 0.000 0.769 149 S HN 0.499 nan 8.310 nan 0.000 0.529 150 G N 0.630 109.373 108.800 -0.095 0.000 2.213 150 G HA2 -0.080 3.878 3.960 -0.003 0.000 0.226 150 G HA3 -0.080 3.878 3.960 -0.003 0.000 0.226 150 G C 0.319 174.837 174.900 -0.636 0.000 0.992 150 G CA -0.053 44.955 45.100 -0.153 0.000 0.632 150 G HN 1.254 nan 8.290 nan 0.000 0.511 151 A N 0.455 122.751 122.820 -0.874 0.000 2.406 151 A HA 0.643 4.961 4.320 -0.003 0.000 0.243 151 A C 0.838 178.068 177.584 -0.590 0.000 1.082 151 A CA 0.106 51.392 52.037 -1.252 0.000 0.786 151 A CB 0.211 18.818 19.000 -0.655 0.000 1.029 151 A HN 0.488 nan 8.150 nan 0.000 0.495 152 R N 0.222 120.459 120.500 -0.437 0.000 2.370 152 R HA 0.355 4.694 4.340 -0.003 0.000 0.309 152 R C -1.124 175.090 176.300 -0.143 0.000 1.059 152 R CA 0.050 56.035 56.100 -0.191 0.000 0.981 152 R CB 0.368 30.620 30.300 -0.079 0.000 0.972 152 R HN 0.422 nan 8.270 nan 0.000 0.437 153 V N 5.478 125.321 119.914 -0.117 0.000 2.588 153 V HA 0.401 4.519 4.120 -0.003 0.000 0.304 153 V C -0.108 175.935 176.094 -0.086 0.000 1.042 153 V CA -0.755 61.483 62.300 -0.104 0.000 0.877 153 V CB 2.063 33.813 31.823 -0.122 0.000 0.996 153 V HN 0.708 nan 8.190 nan 0.000 0.425 154 M N 5.393 124.938 119.600 -0.091 0.000 2.243 154 M HA 0.568 5.046 4.480 -0.003 0.000 0.324 154 M C -1.239 174.986 176.300 -0.124 0.000 1.031 154 M CA -0.663 54.568 55.300 -0.115 0.000 0.949 154 M CB 2.056 34.570 32.600 -0.143 0.000 1.615 154 M HN 0.479 nan 8.290 nan 0.000 0.430 155 L N 5.010 126.162 121.223 -0.119 0.000 2.298 155 L HA 0.637 4.975 4.340 -0.003 0.000 0.284 155 L C -1.783 175.045 176.870 -0.070 0.000 1.013 155 L CA -0.391 54.378 54.840 -0.118 0.000 0.824 155 L CB 0.869 42.806 42.059 -0.204 0.000 1.221 155 L HN 0.547 nan 8.230 nan 0.000 0.418 156 L N 4.749 125.910 121.223 -0.102 0.000 2.334 156 L HA 0.673 5.012 4.340 -0.003 0.000 0.276 156 L C -0.714 176.121 176.870 -0.058 0.000 1.014 156 L CA -0.263 54.514 54.840 -0.104 0.000 0.815 156 L CB 1.793 43.746 42.059 -0.177 0.000 1.268 156 L HN 0.668 nan 8.230 nan 0.000 0.428 157 D N -0.647 119.738 120.400 -0.025 0.000 2.927 157 D HA 0.230 4.868 4.640 -0.003 0.000 0.219 157 D C 0.345 176.648 176.300 0.005 0.000 1.248 157 D CA -0.347 53.651 54.000 -0.003 0.000 0.861 157 D CB 1.570 42.388 40.800 0.031 0.000 1.677 157 D HN 0.672 nan 8.370 nan 0.000 0.511 158 E N 2.542 122.759 120.200 0.028 0.000 2.358 158 E HA 0.011 4.360 4.350 -0.003 0.000 0.195 158 E C 0.138 176.766 176.600 0.046 0.000 1.010 158 E CA 0.251 56.684 56.400 0.055 0.000 0.856 158 E CB 0.396 30.164 29.700 0.113 0.000 0.795 158 E HN 0.286 nan 8.360 nan 0.000 0.504 159 R N 0.681 121.203 120.500 0.037 0.000 2.580 159 R HA 0.176 4.514 4.340 -0.003 0.000 0.267 159 R C -1.674 174.623 176.300 -0.006 0.000 1.125 159 R CA -1.667 54.451 56.100 0.030 0.000 1.188 159 R CB -0.120 30.200 30.300 0.034 0.000 1.155 159 R HN -0.067 nan 8.270 nan 0.000 0.586 160 P HA -0.109 nan 4.420 nan 0.000 0.222 160 P C -0.594 176.674 177.300 -0.054 0.000 1.153 160 P CA 1.264 64.332 63.100 -0.053 0.000 0.798 160 P CB 0.309 32.000 31.700 -0.016 0.000 0.796 161 E N -2.111 118.076 120.200 -0.023 0.000 2.449 161 E HA 0.656 5.005 4.350 -0.003 0.000 0.278 161 E C -1.200 175.414 176.600 0.024 0.000 0.992 161 E CA -1.321 55.072 56.400 -0.012 0.000 0.807 161 E CB 1.128 30.820 29.700 -0.012 0.000 1.350 161 E HN -0.185 nan 8.360 nan 0.000 0.462 162 A N -0.263 122.597 122.820 0.066 0.000 2.296 162 A HA 0.645 4.963 4.320 -0.003 0.000 0.264 162 A C 1.064 178.674 177.584 0.043 0.000 1.097 162 A CA 0.582 52.669 52.037 0.084 0.000 0.811 162 A CB -0.126 18.945 19.000 0.119 0.000 1.072 162 A HN 1.398 nan 8.150 nan 0.000 0.495 163 G N -1.436 107.389 108.800 0.042 0.000 2.481 163 G HA2 0.274 4.232 3.960 -0.003 0.000 0.200 163 G HA3 0.274 4.232 3.960 -0.003 0.000 0.200 163 G C 1.760 176.676 174.900 0.026 0.000 1.012 163 G CA 0.805 45.933 45.100 0.047 0.000 0.676 163 G HN 2.744 nan 8.290 nan 0.000 0.488 164 G N -0.170 108.638 108.800 0.015 0.000 2.622 164 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.307 164 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.307 164 G C 1.198 176.096 174.900 -0.004 0.000 1.226 164 G CA 2.078 47.183 45.100 0.008 0.000 0.997 164 G HN 1.415 nan 8.290 nan 0.000 0.551 165 T N 1.655 116.204 114.554 -0.009 0.000 2.962 165 T HA 0.092 4.440 4.350 -0.003 0.000 0.270 165 T C 2.494 177.174 174.700 -0.033 0.000 1.088 165 T CA 1.430 63.518 62.100 -0.020 0.000 1.127 165 T CB -0.160 68.692 68.868 -0.026 0.000 0.883 165 T HN 0.413 nan 8.240 nan 0.000 0.493 166 L N 0.618 121.824 121.223 -0.028 0.000 2.127 166 L HA -0.127 4.212 4.340 -0.003 0.000 0.211 166 L C 2.753 179.603 176.870 -0.034 0.000 1.089 166 L CA 1.026 55.849 54.840 -0.027 0.000 0.757 166 L CB -0.467 41.592 42.059 0.000 0.000 0.899 166 L HN 0.100 nan 8.230 nan 0.000 0.434 167 R N 0.470 120.944 120.500 -0.042 0.000 2.189 167 R HA -0.113 4.225 4.340 -0.003 0.000 0.223 167 R C 1.603 177.840 176.300 -0.106 0.000 1.092 167 R CA 0.906 56.960 56.100 -0.076 0.000 0.989 167 R CB -0.453 29.789 30.300 -0.097 0.000 0.876 167 R HN 0.565 nan 8.270 nan 0.000 0.457 168 E N 0.016 120.165 120.200 -0.085 0.000 2.479 168 E HA 0.185 4.533 4.350 -0.003 0.000 0.193 168 E C 0.260 176.827 176.600 -0.054 0.000 1.049 168 E CA -0.023 56.327 56.400 -0.084 0.000 0.870 168 E CB 0.527 30.189 29.700 -0.064 0.000 0.944 168 E HN 0.168 nan 8.360 nan 0.000 0.492 169 A N 1.199 123.990 122.820 -0.048 0.000 2.309 169 A HA 0.715 5.033 4.320 -0.003 0.000 0.317 169 A C -0.142 177.422 177.584 -0.033 0.000 1.134 169 A CA -0.390 51.625 52.037 -0.037 0.000 0.866 169 A CB 1.505 20.480 19.000 -0.042 0.000 1.329 169 A HN 0.087 nan 8.150 nan 0.000 0.477 170 S N -2.053 113.632 115.700 -0.026 0.000 2.615 170 S HA 0.621 5.089 4.470 -0.003 0.000 0.269 170 S C 0.400 174.987 174.600 -0.022 0.000 1.161 170 S CA 0.434 58.621 58.200 -0.023 0.000 0.817 170 S CB 0.833 64.022 63.200 -0.017 0.000 1.131 170 S HN 2.727 nan 8.310 nan 0.000 0.467 171 G N 0.102 108.890 108.800 -0.021 0.000 2.159 171 G HA2 -0.214 3.745 3.960 -0.003 0.000 0.256 171 G HA3 -0.214 3.745 3.960 -0.003 0.000 0.256 171 G C -0.190 174.691 174.900 -0.031 0.000 0.977 171 G CA 0.589 45.677 45.100 -0.021 0.000 0.652 171 G HN 1.024 nan 8.290 nan 0.000 0.531 172 E N 0.342 120.517 120.200 -0.041 0.000 2.171 172 E HA 0.538 4.886 4.350 -0.003 0.000 0.271 172 E C 0.150 176.709 176.600 -0.068 0.000 0.916 172 E CA -0.608 55.756 56.400 -0.060 0.000 0.774 172 E CB 0.738 30.393 29.700 -0.075 0.000 1.128 172 E HN 0.436 nan 8.360 nan 0.000 0.403 173 Q N 3.028 122.781 119.800 -0.079 0.000 2.226 173 Q HA 0.540 4.879 4.340 -0.003 0.000 0.256 173 Q C -0.494 175.413 176.000 -0.156 0.000 0.962 173 Q CA -0.757 54.996 55.803 -0.084 0.000 0.887 173 Q CB 2.140 30.845 28.738 -0.055 0.000 1.282 173 Q HN 0.529 nan 8.270 nan 0.000 0.449 174 I N 1.359 121.809 120.570 -0.200 0.000 2.498 174 I HA 0.147 4.315 4.170 -0.003 0.000 0.290 174 I C -0.716 175.254 176.117 -0.245 0.000 1.032 174 I CA -0.566 60.494 61.300 -0.401 0.000 1.073 174 I CB 1.928 39.378 38.000 -0.916 0.000 1.251 174 I HN 0.601 nan 8.210 nan 0.000 0.426 175 D N 4.993 125.279 120.400 -0.189 0.000 2.737 175 D HA -0.199 4.439 4.640 -0.003 0.000 0.233 175 D C 1.171 177.475 176.300 0.007 0.000 1.155 175 D CA 1.673 55.655 54.000 -0.029 0.000 0.667 175 D CB -0.888 39.981 40.800 0.114 0.000 1.060 175 D HN 1.176 nan 8.370 nan 0.000 0.427 176 G N -0.405 108.379 108.800 -0.026 0.000 2.166 176 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.260 176 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.260 176 G C 0.511 175.417 174.900 0.010 0.000 0.986 176 G CA 0.817 45.911 45.100 -0.010 0.000 0.683 176 G HN 0.813 nan 8.290 nan 0.000 0.527 177 I N -3.710 116.877 120.570 0.029 0.000 3.002 177 I HA 0.663 4.831 4.170 -0.003 0.000 0.310 177 I C -0.605 175.537 176.117 0.041 0.000 1.087 177 I CA -1.504 59.824 61.300 0.046 0.000 1.017 177 I CB 1.538 39.589 38.000 0.084 0.000 1.226 177 I HN -0.196 nan 8.210 nan 0.000 0.443 178 D N 2.713 123.135 120.400 0.038 0.000 2.488 178 D HA 0.091 4.729 4.640 -0.003 0.000 0.238 178 D C 1.180 177.520 176.300 0.067 0.000 1.138 178 D CA 0.505 54.523 54.000 0.030 0.000 0.873 178 D CB 1.605 42.418 40.800 0.022 0.000 1.183 178 D HN 0.747 nan 8.370 nan 0.000 0.458 179 A N 3.064 125.908 122.820 0.040 0.000 1.927 179 A HA -0.230 4.088 4.320 -0.003 0.000 0.220 179 A C 2.125 179.797 177.584 0.147 0.000 1.185 179 A CA 2.483 54.567 52.037 0.078 0.000 0.639 179 A CB -0.673 18.330 19.000 0.005 0.000 0.820 179 A HN 0.658 nan 8.150 nan 0.000 0.451 180 A N -0.869 121.999 122.820 0.080 0.000 1.908 180 A HA -0.260 4.059 4.320 -0.003 0.000 0.218 180 A C 2.129 179.753 177.584 0.067 0.000 1.181 180 A CA 1.836 53.909 52.037 0.061 0.000 0.627 180 A CB -0.625 18.389 19.000 0.023 0.000 0.818 180 A HN 0.694 nan 8.150 nan 0.000 0.445 181 Q N -2.271 117.573 119.800 0.074 0.000 2.079 181 Q HA -0.224 4.114 4.340 -0.003 0.000 0.200 181 Q C 1.946 178.002 176.000 0.094 0.000 0.974 181 Q CA 1.585 57.426 55.803 0.062 0.000 0.840 181 Q CB -0.283 28.492 28.738 0.061 0.000 0.898 181 Q HN 0.875 nan 8.270 nan 0.000 0.430 182 W N 1.399 122.682 121.300 -0.029 0.000 2.338 182 W HA -0.192 4.467 4.660 -0.003 0.000 0.304 182 W C 1.634 178.132 176.519 -0.034 0.000 1.212 182 W CA 1.438 58.764 57.345 -0.032 0.000 1.264 182 W CB -0.124 29.315 29.460 -0.035 0.000 1.142 182 W HN 0.025 nan 8.180 nan 0.000 0.512 183 I N 0.355 121.005 120.570 0.133 0.000 2.226 183 I HA -0.320 3.849 4.170 -0.003 0.000 0.245 183 I C 2.097 178.124 176.117 -0.149 0.000 1.100 183 I CA 1.730 63.007 61.300 -0.039 0.000 1.374 183 I CB -0.658 37.391 38.000 0.082 0.000 1.057 183 I HN -0.101 nan 8.210 nan 0.000 0.413 184 D N 1.042 121.392 120.400 -0.083 0.000 2.117 184 D HA -0.145 4.493 4.640 -0.003 0.000 0.197 184 D C 2.302 178.521 176.300 -0.135 0.000 0.987 184 D CA 1.601 55.553 54.000 -0.081 0.000 0.829 184 D CB -0.235 40.540 40.800 -0.043 0.000 0.961 184 D HN 0.336 nan 8.370 nan 0.000 0.460 185 A N 0.620 123.332 122.820 -0.181 0.000 1.883 185 A HA -0.173 4.145 4.320 -0.003 0.000 0.217 185 A C 2.551 179.943 177.584 -0.319 0.000 1.186 185 A CA 1.563 53.461 52.037 -0.231 0.000 0.624 185 A CB -0.787 18.067 19.000 -0.244 0.000 0.822 185 A HN 0.164 nan 8.150 nan 0.000 0.444 186 V N 0.440 120.051 119.914 -0.504 0.000 2.307 186 V HA -0.216 3.902 4.120 -0.003 0.000 0.245 186 V C 3.002 178.916 176.094 -0.299 0.000 1.045 186 V CA 2.408 64.408 62.300 -0.500 0.000 1.024 186 V CB -1.420 29.952 31.823 -0.753 0.000 0.651 186 V HN 0.846 nan 8.190 nan 0.000 0.449 187 T N -1.726 112.694 114.554 -0.224 0.000 2.821 187 T HA -0.200 4.148 4.350 -0.003 0.000 0.267 187 T C 1.631 176.302 174.700 -0.048 0.000 1.046 187 T CA 1.579 63.619 62.100 -0.099 0.000 1.139 187 T CB -0.393 68.491 68.868 0.026 0.000 0.871 187 T HN 0.565 nan 8.240 nan 0.000 0.454 188 E N 1.260 121.416 120.200 -0.074 0.000 2.058 188 E HA -0.202 4.147 4.350 -0.003 0.000 0.194 188 E C 2.302 178.859 176.600 -0.070 0.000 0.997 188 E CA 1.531 57.895 56.400 -0.061 0.000 0.801 188 E CB -0.208 29.453 29.700 -0.066 0.000 0.746 188 E HN 0.757 nan 8.360 nan 0.000 0.450 189 E N 0.903 121.039 120.200 -0.106 0.000 2.085 189 E HA -0.214 4.134 4.350 -0.003 0.000 0.194 189 E C 2.138 178.686 176.600 -0.088 0.000 0.994 189 E CA 0.856 57.196 56.400 -0.100 0.000 0.801 189 E CB -0.029 29.594 29.700 -0.127 0.000 0.743 189 E HN 0.227 nan 8.360 nan 0.000 0.453 190 L N 0.314 121.477 121.223 -0.101 0.000 2.046 190 L HA -0.143 4.195 4.340 -0.003 0.000 0.208 190 L C 2.728 179.579 176.870 -0.032 0.000 1.077 190 L CA 1.001 55.791 54.840 -0.084 0.000 0.747 190 L CB -0.580 41.403 42.059 -0.126 0.000 0.896 190 L HN 0.231 nan 8.230 nan 0.000 0.432 191 A N 0.138 122.953 122.820 -0.010 0.000 1.933 191 A HA -0.110 4.208 4.320 -0.003 0.000 0.218 191 A C 2.398 179.976 177.584 -0.009 0.000 1.175 191 A CA 1.657 53.697 52.037 0.005 0.000 0.628 191 A CB -0.506 18.499 19.000 0.007 0.000 0.814 191 A HN 0.404 nan 8.150 nan 0.000 0.444 192 A N -0.919 121.887 122.820 -0.023 0.000 2.169 192 A HA 0.566 4.885 4.320 -0.003 0.000 0.212 192 A C 1.255 178.824 177.584 -0.026 0.000 1.153 192 A CA 0.743 52.766 52.037 -0.024 0.000 0.756 192 A CB -0.590 18.393 19.000 -0.029 0.000 0.813 192 A HN 0.927 nan 8.150 nan 0.000 0.471 193 A N 0.159 122.959 122.820 -0.033 0.000 2.320 193 A HA 0.494 4.813 4.320 -0.003 0.000 0.287 193 A C 0.736 178.302 177.584 -0.030 0.000 1.181 193 A CA 0.173 52.187 52.037 -0.038 0.000 0.831 193 A CB 0.438 19.404 19.000 -0.056 0.000 1.102 193 A HN 0.378 nan 8.150 nan 0.000 0.513 194 E N 1.762 121.946 120.200 -0.026 0.000 2.274 194 E HA -0.094 4.254 4.350 -0.003 0.000 0.194 194 E C 0.628 177.217 176.600 -0.019 0.000 0.996 194 E CA 1.494 57.885 56.400 -0.015 0.000 0.840 194 E CB 0.213 29.907 29.700 -0.010 0.000 0.772 194 E HN 0.636 nan 8.360 nan 0.000 0.491 195 E N 0.162 120.337 120.200 -0.041 0.000 2.499 195 E HA 0.131 4.479 4.350 -0.003 0.000 0.199 195 E C -0.572 175.992 176.600 -0.060 0.000 1.016 195 E CA 0.062 56.431 56.400 -0.051 0.000 0.933 195 E CB 1.043 30.692 29.700 -0.085 0.000 1.050 195 E HN 0.028 nan 8.360 nan 0.000 0.462 196 T N 1.175 115.699 114.554 -0.050 0.000 2.794 196 T HA 0.364 4.713 4.350 -0.003 0.000 0.280 196 T C -0.013 174.674 174.700 -0.021 0.000 0.987 196 T CA -0.236 61.833 62.100 -0.052 0.000 0.993 196 T CB 1.663 70.491 68.868 -0.066 0.000 0.939 196 T HN -0.171 nan 8.240 nan 0.000 0.449 197 T N 3.037 117.576 114.554 -0.025 0.000 2.770 197 T HA 0.295 4.644 4.350 -0.003 0.000 0.283 197 T C -0.549 174.147 174.700 -0.008 0.000 0.988 197 T CA -0.549 61.542 62.100 -0.015 0.000 0.957 197 T CB 0.449 69.297 68.868 -0.033 0.000 0.930 197 T HN 0.672 nan 8.240 nan 0.000 0.443 198 H N 4.290 123.295 119.070 -0.109 0.000 2.673 198 H HA 0.456 5.010 4.556 -0.003 0.000 0.293 198 H C -0.886 174.368 175.328 -0.125 0.000 1.065 198 H CA -0.894 55.084 56.048 -0.118 0.000 1.236 198 H CB 0.338 30.045 29.762 -0.092 0.000 1.389 198 H HN 0.410 nan 8.280 nan 0.000 0.481 199 L N 5.366 126.539 121.223 -0.084 0.000 2.262 199 L HA 0.255 4.593 4.340 -0.003 0.000 0.288 199 L C 0.063 176.841 176.870 -0.153 0.000 1.035 199 L CA -0.704 54.016 54.840 -0.199 0.000 0.820 199 L CB 1.323 43.180 42.059 -0.337 0.000 1.204 199 L HN 0.563 nan 8.230 nan 0.000 0.424 200 Q N 2.619 122.292 119.800 -0.213 0.000 2.185 200 Q HA 0.345 4.683 4.340 -0.003 0.000 0.225 200 Q C 0.272 176.219 176.000 -0.089 0.000 0.983 200 Q CA -0.684 55.040 55.803 -0.132 0.000 0.950 200 Q CB 0.822 29.459 28.738 -0.168 0.000 1.176 200 Q HN 0.412 nan 8.270 nan 0.000 0.510 201 R N -0.948 119.516 120.500 -0.061 0.000 3.484 201 R HA -0.143 4.195 4.340 -0.003 0.000 0.260 201 R C -0.590 175.715 176.300 0.009 0.000 1.053 201 R CA 0.733 56.816 56.100 -0.028 0.000 0.703 201 R CB -2.296 27.965 30.300 -0.066 0.000 1.089 201 R HN 0.405 nan 8.270 nan 0.000 0.459 202 T N 0.098 114.649 114.554 -0.006 0.000 2.848 202 T HA 0.347 4.695 4.350 -0.003 0.000 0.285 202 T C -0.075 174.639 174.700 0.023 0.000 0.995 202 T CA -0.499 61.601 62.100 0.000 0.000 0.970 202 T CB 2.228 71.031 68.868 -0.109 0.000 0.976 202 T HN -0.009 nan 8.240 nan 0.000 0.441 203 T N 2.726 117.336 114.554 0.094 0.000 2.756 203 T HA 0.366 4.714 4.350 -0.003 0.000 0.290 203 T C 0.279 175.058 174.700 0.133 0.000 0.985 203 T CA -0.488 61.701 62.100 0.148 0.000 0.955 203 T CB 0.852 69.867 68.868 0.245 0.000 0.930 203 T HN 0.365 nan 8.240 nan 0.000 0.451 204 V N 6.146 126.070 119.914 0.017 0.000 2.421 204 V HA 0.107 4.225 4.120 -0.003 0.000 0.271 204 V C 0.766 176.878 176.094 0.030 0.000 1.031 204 V CA 0.218 62.473 62.300 -0.076 0.000 1.032 204 V CB -0.768 30.964 31.823 -0.151 0.000 1.009 204 V HN 0.949 nan 8.190 nan 0.000 0.477 205 F N 2.557 122.527 119.950 0.033 0.000 2.717 205 F HA 0.713 5.239 4.527 -0.003 0.000 0.297 205 F C 0.839 176.679 175.800 0.067 0.000 1.113 205 F CA -0.210 57.853 58.000 0.105 0.000 1.319 205 F CB 0.113 39.186 39.000 0.121 0.000 1.097 205 F HN 0.408 nan 8.300 nan 0.000 0.595 206 G N -0.016 108.588 108.800 -0.326 0.000 2.682 206 G HA2 0.469 4.427 3.960 -0.003 0.000 0.300 206 G HA3 0.469 4.427 3.960 -0.003 0.000 0.300 206 G C -1.775 172.819 174.900 -0.509 0.000 1.391 206 G CA -0.778 44.134 45.100 -0.313 0.000 0.990 206 G HN 0.164 nan 8.290 nan 0.000 0.501 207 S N 0.649 115.894 115.700 -0.758 0.000 2.779 207 S HA 0.757 5.225 4.470 -0.003 0.000 0.293 207 S C -1.319 172.936 174.600 -0.575 0.000 1.150 207 S CA -0.594 57.328 58.200 -0.464 0.000 1.057 207 S CB 0.269 63.316 63.200 -0.255 0.000 1.021 207 S HN 0.461 nan 8.310 nan 0.000 0.485 208 Y N 1.255 121.576 120.300 0.035 0.000 2.693 208 Y HA 0.452 5.000 4.550 -0.003 0.000 0.331 208 Y C 0.188 176.128 175.900 0.068 0.000 1.092 208 Y CA -1.282 56.861 58.100 0.072 0.000 1.131 208 Y CB 0.377 38.922 38.460 0.141 0.000 1.318 208 Y HN 0.482 nan 8.280 nan 0.000 0.510 209 D N 0.689 121.220 120.400 0.217 0.000 2.571 209 D HA 0.311 4.949 4.640 -0.003 0.000 0.231 209 D C 0.191 176.554 176.300 0.105 0.000 1.133 209 D CA 1.799 55.864 54.000 0.109 0.000 0.862 209 D CB 0.208 41.051 40.800 0.072 0.000 1.179 209 D HN 0.848 nan 8.370 nan 0.000 0.474 210 A N 3.482 126.341 122.820 0.065 0.000 2.687 210 A HA -0.313 4.005 4.320 -0.003 0.000 0.299 210 A C 0.622 178.260 177.584 0.090 0.000 1.497 210 A CA 0.584 52.657 52.037 0.061 0.000 0.751 210 A CB -1.881 17.146 19.000 0.046 0.000 1.048 210 A HN 0.719 nan 8.150 nan 0.000 0.464 211 N N -3.142 115.608 118.700 0.084 0.000 2.754 211 N HA -0.220 4.518 4.740 -0.003 0.000 0.248 211 N C -0.494 175.087 175.510 0.118 0.000 1.093 211 N CA 1.740 54.833 53.050 0.071 0.000 0.699 211 N CB -1.825 36.691 38.487 0.049 0.000 1.016 211 N HN 1.023 nan 8.380 nan 0.000 0.552 212 Y N 0.525 120.841 120.300 0.027 0.000 2.477 212 Y HA 0.493 5.042 4.550 -0.003 0.000 0.349 212 Y C 0.066 176.008 175.900 0.071 0.000 0.977 212 Y CA -0.710 57.418 58.100 0.046 0.000 1.214 212 Y CB 0.338 38.847 38.460 0.082 0.000 1.124 212 Y HN 0.088 nan 8.280 nan 0.000 0.521 213 I N 6.290 126.699 120.570 -0.270 0.000 2.412 213 I HA 0.312 4.480 4.170 -0.003 0.000 0.296 213 I C -1.013 174.808 176.117 -0.493 0.000 0.987 213 I CA -0.571 60.558 61.300 -0.285 0.000 1.180 213 I CB 1.574 39.435 38.000 -0.231 0.000 1.340 213 I HN 0.466 nan 8.210 nan 0.000 0.455 214 L N 6.111 127.023 121.223 -0.520 0.000 2.272 214 L HA 0.799 5.138 4.340 -0.003 0.000 0.289 214 L C -0.193 176.115 176.870 -0.936 0.000 1.032 214 L CA 0.014 54.350 54.840 -0.840 0.000 0.810 214 L CB 1.299 42.738 42.059 -1.033 0.000 1.205 214 L HN 0.728 nan 8.230 nan 0.000 0.422 215 A N 3.039 125.572 122.820 -0.479 0.000 2.454 215 A HA 0.948 5.266 4.320 -0.003 0.000 0.302 215 A C -1.029 176.692 177.584 0.228 0.000 1.079 215 A CA -0.524 51.434 52.037 -0.132 0.000 0.731 215 A CB 1.760 20.689 19.000 -0.119 0.000 1.299 215 A HN 0.672 nan 8.150 nan 0.000 0.413 216 A N 1.182 124.220 122.820 0.364 0.000 2.323 216 A HA 0.607 4.925 4.320 -0.003 0.000 0.305 216 A C -0.357 177.380 177.584 0.255 0.000 1.275 216 A CA -0.399 51.847 52.037 0.349 0.000 0.804 216 A CB 0.425 19.606 19.000 0.302 0.000 1.152 216 A HN 0.845 nan 8.150 nan 0.000 0.487 217 Q N 2.083 122.067 119.800 0.307 0.000 2.274 217 Q HA 0.415 4.753 4.340 -0.003 0.000 0.256 217 Q C -0.788 175.348 176.000 0.227 0.000 0.927 217 Q CA -0.751 55.195 55.803 0.237 0.000 0.939 217 Q CB 0.653 29.604 28.738 0.355 0.000 1.201 217 Q HN 0.563 nan 8.270 nan 0.000 0.426 218 R N 3.248 123.847 120.500 0.166 0.000 2.205 218 R HA 0.202 4.540 4.340 -0.003 0.000 0.342 218 R C 0.483 176.892 176.300 0.182 0.000 1.058 218 R CA 0.050 56.255 56.100 0.174 0.000 0.904 218 R CB 0.378 30.761 30.300 0.138 0.000 1.089 218 R HN 0.707 nan 8.270 nan 0.000 0.471 219 R N 0.159 120.786 120.500 0.212 0.000 2.090 219 R HA 0.021 4.360 4.340 -0.003 0.000 0.219 219 R C 0.775 177.233 176.300 0.263 0.000 1.100 219 R CA 1.412 57.641 56.100 0.216 0.000 0.991 219 R CB 0.364 30.781 30.300 0.195 0.000 0.893 219 R HN 0.582 nan 8.270 nan 0.000 0.443 220 T N -2.714 111.971 114.554 0.218 0.000 3.231 220 T HA 0.198 4.547 4.350 -0.003 0.000 0.292 220 T C 1.392 176.186 174.700 0.157 0.000 1.001 220 T CA -0.291 61.898 62.100 0.147 0.000 0.920 220 T CB 0.467 69.377 68.868 0.069 0.000 1.140 220 T HN -0.134 nan 8.240 nan 0.000 0.525 221 V N 2.673 122.737 119.914 0.249 0.000 2.490 221 V HA -0.131 3.987 4.120 -0.003 0.000 0.250 221 V C 2.584 178.801 176.094 0.204 0.000 1.061 221 V CA 1.910 64.330 62.300 0.199 0.000 1.064 221 V CB -0.918 31.014 31.823 0.183 0.000 0.670 221 V HN 0.837 nan 8.190 nan 0.000 0.461 222 H N -0.819 118.298 119.070 0.079 0.000 2.533 222 H HA 0.272 4.826 4.556 -0.003 0.000 0.271 222 H C 0.415 175.787 175.328 0.073 0.000 1.000 222 H CA -0.305 55.787 56.048 0.072 0.000 1.149 222 H CB -0.590 29.214 29.762 0.069 0.000 1.375 222 H HN 0.343 nan 8.280 nan 0.000 0.582 223 L N 1.189 122.255 121.223 -0.261 0.000 2.325 223 L HA 0.130 4.469 4.340 -0.003 0.000 0.279 223 L C 0.938 177.787 176.870 -0.035 0.000 1.054 223 L CA -0.700 54.002 54.840 -0.231 0.000 0.804 223 L CB 1.431 43.356 42.059 -0.224 0.000 1.200 223 L HN -0.050 nan 8.230 nan 0.000 0.436 224 D N 2.062 122.449 120.400 -0.021 0.000 2.123 224 D HA -0.054 4.584 4.640 -0.003 0.000 0.196 224 D C 0.919 177.263 176.300 0.074 0.000 0.992 224 D CA 1.287 55.309 54.000 0.037 0.000 0.833 224 D CB 0.178 40.988 40.800 0.016 0.000 0.954 224 D HN 0.694 nan 8.370 nan 0.000 0.455 225 G N 1.028 109.812 108.800 -0.027 0.000 2.770 225 G HA2 0.409 4.368 3.960 -0.003 0.000 0.298 225 G HA3 0.409 4.368 3.960 -0.003 0.000 0.298 225 G C -2.896 171.888 174.900 -0.192 0.000 1.534 225 G CA -0.873 44.133 45.100 -0.157 0.000 1.046 225 G HN -0.137 nan 8.290 nan 0.000 0.548 226 P HA 0.331 nan 4.420 nan 0.000 0.280 226 P C 0.459 177.648 177.300 -0.186 0.000 1.244 226 P CA -0.099 62.906 63.100 -0.159 0.000 0.784 226 P CB 1.635 33.283 31.700 -0.087 0.000 0.913 227 S N 1.202 116.826 115.700 -0.126 0.000 2.669 227 S HA 0.695 5.164 4.470 -0.003 0.000 0.270 227 S C 0.376 174.918 174.600 -0.095 0.000 1.225 227 S CA 0.058 58.193 58.200 -0.107 0.000 0.991 227 S CB 0.337 63.488 63.200 -0.081 0.000 0.987 227 S HN 0.967 nan 8.310 nan 0.000 0.552 228 G N 0.897 109.641 108.800 -0.094 0.000 3.436 228 G HA2 -0.104 3.855 3.960 -0.003 0.000 0.685 228 G HA3 -0.104 3.855 3.960 -0.003 0.000 0.685 228 G C -0.652 174.162 174.900 -0.143 0.000 1.039 228 G CA -0.756 44.281 45.100 -0.105 0.000 0.879 228 G HN 0.837 nan 8.290 nan 0.000 0.478 229 Q N 0.177 119.887 119.800 -0.151 0.000 2.392 229 Q HA 0.443 4.782 4.340 -0.003 0.000 0.262 229 Q C 1.607 177.391 176.000 -0.359 0.000 1.003 229 Q CA 1.088 56.763 55.803 -0.213 0.000 0.888 229 Q CB 0.929 29.578 28.738 -0.149 0.000 1.260 229 Q HN 2.222 nan 8.270 nan 0.000 0.435 230 G N 1.144 109.521 108.800 -0.705 0.000 2.196 230 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.268 230 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.268 230 G C 0.067 174.498 174.900 -0.781 0.000 0.975 230 G CA 0.340 44.722 45.100 -1.196 0.000 0.648 230 G HN 0.453 nan 8.290 nan 0.000 0.538 231 V N 2.383 122.043 119.914 -0.423 0.000 2.368 231 V HA 0.508 4.626 4.120 -0.003 0.000 0.266 231 V C 1.055 177.148 176.094 -0.001 0.000 1.045 231 V CA -0.140 62.078 62.300 -0.137 0.000 0.899 231 V CB 1.056 32.828 31.823 -0.084 0.000 1.006 231 V HN 0.786 nan 8.190 nan 0.000 0.470 232 S N 4.981 120.789 115.700 0.180 0.000 2.549 232 S HA 0.187 4.655 4.470 -0.003 0.000 0.283 232 S C 1.114 175.784 174.600 0.116 0.000 1.320 232 S CA -0.391 57.970 58.200 0.268 0.000 1.058 232 S CB 1.057 64.430 63.200 0.288 0.000 0.882 232 S HN 0.757 nan 8.310 nan 0.000 0.498 233 R N 1.880 122.379 120.500 -0.002 0.000 2.073 233 R HA -0.035 4.303 4.340 -0.003 0.000 0.234 233 R C 0.087 176.488 176.300 0.168 0.000 1.134 233 R CA 1.310 57.427 56.100 0.028 0.000 0.952 233 R CB 0.067 30.291 30.300 -0.127 0.000 0.850 233 R HN 0.865 nan 8.270 nan 0.000 0.433 234 E N -0.591 119.765 120.200 0.261 0.000 2.317 234 E HA 0.291 4.639 4.350 -0.003 0.000 0.270 234 E C -1.350 175.457 176.600 0.344 0.000 0.885 234 E CA -0.921 55.680 56.400 0.335 0.000 0.760 234 E CB 2.495 32.431 29.700 0.394 0.000 1.227 234 E HN 0.057 nan 8.360 nan 0.000 0.434 235 R N 2.698 123.379 120.500 0.303 0.000 2.575 235 R HA 0.368 4.707 4.340 -0.003 0.000 0.293 235 R C -1.181 175.263 176.300 0.241 0.000 0.983 235 R CA -0.622 55.628 56.100 0.251 0.000 0.887 235 R CB 0.842 31.259 30.300 0.195 0.000 1.184 235 R HN 0.393 nan 8.270 nan 0.000 0.445 236 I N 4.549 125.177 120.570 0.095 0.000 2.301 236 I HA 0.192 4.360 4.170 -0.003 0.000 0.292 236 I C -0.508 175.551 176.117 -0.098 0.000 1.046 236 I CA -0.729 60.549 61.300 -0.037 0.000 1.282 236 I CB 0.277 37.999 38.000 -0.464 0.000 1.409 236 I HN 0.581 nan 8.210 nan 0.000 0.484 237 W N 5.522 126.735 121.300 -0.144 0.000 2.322 237 W HA 0.301 4.959 4.660 -0.003 0.000 0.307 237 W C 0.219 176.520 176.519 -0.363 0.000 1.220 237 W CA -0.142 57.114 57.345 -0.149 0.000 1.210 237 W CB 0.221 29.614 29.460 -0.112 0.000 1.223 237 W HN 0.380 nan 8.180 nan 0.000 0.511 238 H N 3.826 122.725 119.070 -0.286 0.000 2.597 238 H HA 0.463 5.017 4.556 -0.003 0.000 0.303 238 H C -0.328 174.808 175.328 -0.320 0.000 1.057 238 H CA -0.463 55.294 56.048 -0.485 0.000 1.261 238 H CB 0.433 29.866 29.762 -0.549 0.000 1.397 238 H HN 0.196 nan 8.280 nan 0.000 0.461 239 I N 2.884 123.269 120.570 -0.308 0.000 2.410 239 I HA 0.275 4.443 4.170 -0.003 0.000 0.286 239 I C -0.033 175.969 176.117 -0.191 0.000 1.009 239 I CA -0.893 60.325 61.300 -0.136 0.000 1.111 239 I CB 1.406 39.354 38.000 -0.086 0.000 1.262 239 I HN 0.308 nan 8.210 nan 0.000 0.443 240 R N 5.891 126.301 120.500 -0.150 0.000 2.230 240 R HA 0.633 4.972 4.340 -0.003 0.000 0.337 240 R C -0.733 175.522 176.300 -0.075 0.000 1.063 240 R CA -0.177 55.855 56.100 -0.113 0.000 0.935 240 R CB 0.652 30.755 30.300 -0.330 0.000 1.121 240 R HN 0.707 nan 8.270 nan 0.000 0.486 241 A N 4.122 126.937 122.820 -0.008 0.000 2.301 241 A HA 0.324 4.642 4.320 -0.003 0.000 0.312 241 A C 0.349 177.965 177.584 0.054 0.000 1.182 241 A CA -0.669 51.380 52.037 0.021 0.000 0.826 241 A CB 0.827 19.827 19.000 0.000 0.000 1.134 241 A HN 0.891 nan 8.150 nan 0.000 0.501 242 K N 0.406 120.854 120.400 0.079 0.000 2.026 242 K HA -0.076 4.242 4.320 -0.003 0.000 0.208 242 K C 0.104 176.757 176.600 0.088 0.000 1.048 242 K CA 1.169 57.511 56.287 0.093 0.000 0.929 242 K CB -0.015 32.554 32.500 0.115 0.000 0.713 242 K HN 0.694 nan 8.250 nan 0.000 0.439 243 Q N 0.237 120.089 119.800 0.087 0.000 2.372 243 Q HA 0.378 4.717 4.340 -0.003 0.000 0.273 243 Q C -1.260 174.794 176.000 0.090 0.000 1.078 243 Q CA -0.546 55.332 55.803 0.124 0.000 0.806 243 Q CB 2.689 31.518 28.738 0.151 0.000 1.332 243 Q HN -0.131 nan 8.270 nan 0.000 0.435 244 V N 1.716 121.701 119.914 0.118 0.000 2.540 244 V HA 0.479 4.597 4.120 -0.003 0.000 0.302 244 V C -0.333 175.831 176.094 0.117 0.000 1.035 244 V CA -0.801 61.538 62.300 0.066 0.000 0.873 244 V CB 2.139 33.973 31.823 0.019 0.000 0.992 244 V HN 0.511 nan 8.190 nan 0.000 0.428 245 V N 6.169 126.110 119.914 0.045 0.000 2.347 245 V HA 0.439 4.557 4.120 -0.003 0.000 0.280 245 V C -0.103 175.982 176.094 -0.015 0.000 1.021 245 V CA -0.468 61.852 62.300 0.033 0.000 0.847 245 V CB 1.426 33.233 31.823 -0.028 0.000 0.990 245 V HN 0.618 nan 8.190 nan 0.000 0.444 246 L N 4.471 125.685 121.223 -0.014 0.000 2.276 246 L HA 0.722 5.060 4.340 -0.003 0.000 0.286 246 L C 0.515 177.345 176.870 -0.067 0.000 1.061 246 L CA -0.237 54.569 54.840 -0.057 0.000 0.807 246 L CB 1.408 43.430 42.059 -0.060 0.000 1.177 246 L HN 0.754 nan 8.230 nan 0.000 0.429 247 A N 1.043 123.812 122.820 -0.085 0.000 3.365 247 A HA 0.287 4.605 4.320 -0.003 0.000 0.258 247 A C 0.706 178.231 177.584 -0.097 0.000 0.964 247 A CA -0.291 51.698 52.037 -0.081 0.000 0.988 247 A CB -0.084 18.877 19.000 -0.065 0.000 1.193 247 A HN 0.736 nan 8.150 nan 0.000 0.508 248 T N -2.228 112.251 114.554 -0.124 0.000 3.107 248 T HA 0.524 4.872 4.350 -0.003 0.000 0.249 248 T C 1.093 175.703 174.700 -0.149 0.000 1.096 248 T CA 1.048 63.050 62.100 -0.164 0.000 1.012 248 T CB -0.475 68.250 68.868 -0.239 0.000 0.977 248 T HN 2.186 nan 8.240 nan 0.000 0.527 249 A N 0.955 123.709 122.820 -0.111 0.000 6.226 249 A HA 0.290 4.608 4.320 -0.003 0.000 0.254 249 A C 0.326 177.855 177.584 -0.092 0.000 2.160 249 A CA -0.128 51.854 52.037 -0.092 0.000 0.705 249 A CB -1.533 17.428 19.000 -0.065 0.000 1.036 249 A HN 1.951 nan 8.150 nan 0.000 0.366 250 A N -1.137 121.662 122.820 -0.035 0.000 2.414 250 A HA 0.734 5.052 4.320 -0.003 0.000 0.306 250 A C -0.525 177.168 177.584 0.181 0.000 1.054 250 A CA 0.033 52.106 52.037 0.060 0.000 0.724 250 A CB 0.833 19.925 19.000 0.154 0.000 1.267 250 A HN 1.181 nan 8.150 nan 0.000 0.418 251 H N 0.605 119.841 119.070 0.277 0.000 2.487 251 H HA 0.306 4.860 4.556 -0.003 0.000 0.333 251 H C 0.124 175.604 175.328 0.254 0.000 1.114 251 H CA -0.332 55.872 56.048 0.260 0.000 1.310 251 H CB 1.190 31.092 29.762 0.233 0.000 1.462 251 H HN 0.830 nan 8.280 nan 0.000 0.516 252 E N 2.345 122.725 120.200 0.299 0.000 2.418 252 E HA -0.002 4.347 4.350 -0.003 0.000 0.261 252 E C -0.209 176.369 176.600 -0.037 0.000 1.070 252 E CA -0.359 55.972 56.400 -0.115 0.000 0.931 252 E CB 0.635 30.262 29.700 -0.121 0.000 0.954 252 E HN 0.594 nan 8.360 nan 0.000 0.439 253 R N 3.309 123.718 120.500 -0.152 0.000 2.803 253 R HA 0.581 4.920 4.340 -0.003 0.000 0.276 253 R C -2.702 173.631 176.300 0.054 0.000 0.978 253 R CA -2.001 54.126 56.100 0.045 0.000 0.939 253 R CB 1.745 32.126 30.300 0.135 0.000 1.179 253 R HN 0.272 nan 8.270 nan 0.000 0.472 254 P HA 0.270 nan 4.420 nan 0.000 0.279 254 P C -0.544 176.882 177.300 0.211 0.000 1.282 254 P CA -0.538 62.703 63.100 0.234 0.000 0.788 254 P CB 0.998 32.916 31.700 0.363 0.000 1.139 255 I N -0.317 120.413 120.570 0.268 0.000 2.441 255 I HA 0.217 4.385 4.170 -0.003 0.000 0.295 255 I C -0.044 176.270 176.117 0.328 0.000 0.994 255 I CA -1.282 60.199 61.300 0.302 0.000 1.144 255 I CB 2.106 40.313 38.000 0.344 0.000 1.314 255 I HN -0.042 nan 8.210 nan 0.000 0.445 256 V N 7.311 127.403 119.914 0.296 0.000 2.356 256 V HA 0.279 4.397 4.120 -0.003 0.000 0.258 256 V C -0.326 175.969 176.094 0.335 0.000 1.065 256 V CA -0.029 62.419 62.300 0.247 0.000 0.935 256 V CB -0.700 31.293 31.823 0.283 0.000 1.061 256 V HN 0.563 nan 8.190 nan 0.000 0.484 257 F N 1.332 121.303 119.950 0.035 0.000 2.715 257 F HA 0.686 5.211 4.527 -0.003 0.000 0.318 257 F C -0.281 175.165 175.800 -0.591 0.000 1.141 257 F CA -1.659 56.218 58.000 -0.205 0.000 0.950 257 F CB 1.421 40.394 39.000 -0.046 0.000 1.374 257 F HN 0.273 nan 8.300 nan 0.000 0.477 258 E N 1.235 121.141 120.200 -0.489 0.000 2.376 258 E HA 0.131 4.480 4.350 -0.003 0.000 0.266 258 E C -0.349 176.259 176.600 0.014 0.000 1.009 258 E CA 0.207 56.404 56.400 -0.338 0.000 0.902 258 E CB 0.071 29.758 29.700 -0.022 0.000 0.972 258 E HN 0.689 nan 8.360 nan 0.000 0.439 259 N N 3.129 121.875 118.700 0.076 0.000 2.725 259 N HA -0.222 4.516 4.740 -0.003 0.000 0.251 259 N C -0.439 175.057 175.510 -0.022 0.000 1.031 259 N CA 1.018 54.129 53.050 0.103 0.000 0.720 259 N CB -1.384 37.151 38.487 0.080 0.000 0.930 259 N HN 0.609 nan 8.380 nan 0.000 0.543 260 N N -0.058 118.450 118.700 -0.320 0.000 2.314 260 N HA -0.041 4.697 4.740 -0.003 0.000 0.200 260 N C 0.436 175.815 175.510 -0.218 0.000 1.135 260 N CA 0.213 52.833 53.050 -0.717 0.000 0.835 260 N CB 0.144 37.698 38.487 -1.555 0.000 0.989 260 N HN 0.379 nan 8.380 nan 0.000 0.478 261 D N -0.495 119.829 120.400 -0.127 0.000 2.398 261 D HA 0.015 4.654 4.640 -0.003 0.000 0.210 261 D C -0.040 176.169 176.300 -0.152 0.000 1.094 261 D CA -0.322 53.525 54.000 -0.254 0.000 0.839 261 D CB 0.100 40.491 40.800 -0.682 0.000 0.963 261 D HN 0.065 nan 8.370 nan 0.000 0.506 262 R N 1.441 121.913 120.500 -0.046 0.000 2.543 262 R HA 0.287 4.626 4.340 -0.003 0.000 0.277 262 R C -2.353 173.955 176.300 0.014 0.000 1.074 262 R CA -1.570 54.517 56.100 -0.021 0.000 1.076 262 R CB -0.109 30.197 30.300 0.011 0.000 0.993 262 R HN 0.025 nan 8.270 nan 0.000 0.459 263 P HA -0.104 nan 4.420 nan 0.000 0.260 263 P C 0.675 177.991 177.300 0.027 0.000 1.172 263 P CA 1.089 64.195 63.100 0.010 0.000 0.760 263 P CB 0.438 32.130 31.700 -0.014 0.000 0.773 264 G N 2.911 111.736 108.800 0.042 0.000 2.278 264 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.210 264 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.210 264 G C 0.091 175.029 174.900 0.063 0.000 1.000 264 G CA -0.463 44.659 45.100 0.037 0.000 0.635 264 G HN 0.491 nan 8.290 nan 0.000 0.495 265 I N 2.165 122.800 120.570 0.108 0.000 2.416 265 I HA 0.570 4.738 4.170 -0.003 0.000 0.288 265 I C 0.580 176.767 176.117 0.117 0.000 1.051 265 I CA 0.370 61.760 61.300 0.149 0.000 1.375 265 I CB 0.897 39.033 38.000 0.226 0.000 1.407 265 I HN 0.140 nan 8.210 nan 0.000 0.516 266 M N 6.227 125.779 119.600 -0.079 0.000 2.520 266 M HA 0.424 4.902 4.480 -0.003 0.000 0.283 266 M C -0.880 175.125 176.300 -0.491 0.000 1.237 266 M CA -0.816 54.255 55.300 -0.382 0.000 0.885 266 M CB 2.596 35.116 32.600 -0.132 0.000 1.727 266 M HN 0.289 nan 8.290 nan 0.000 0.468 267 L N 1.511 122.281 121.223 -0.754 0.000 2.540 267 L HA 0.035 4.374 4.340 -0.003 0.000 0.276 267 L C 1.379 178.136 176.870 -0.188 0.000 1.212 267 L CA -0.083 54.512 54.840 -0.409 0.000 0.893 267 L CB 0.412 42.265 42.059 -0.343 0.000 1.138 267 L HN 1.030 nan 8.230 nan 0.000 0.491 268 A N 3.646 126.394 122.820 -0.119 0.000 1.902 268 A HA -0.112 4.207 4.320 -0.003 0.000 0.217 268 A C 2.135 179.707 177.584 -0.021 0.000 1.181 268 A CA 1.694 53.694 52.037 -0.061 0.000 0.623 268 A CB -0.891 18.073 19.000 -0.060 0.000 0.818 268 A HN 0.966 nan 8.150 nan 0.000 0.443 269 G N -1.125 107.682 108.800 0.012 0.000 2.498 269 G HA2 -0.037 3.922 3.960 -0.003 0.000 0.219 269 G HA3 -0.037 3.922 3.960 -0.003 0.000 0.219 269 G C 1.620 176.516 174.900 -0.007 0.000 1.119 269 G CA 1.221 46.349 45.100 0.046 0.000 0.766 269 G HN 0.495 nan 8.290 nan 0.000 0.552 270 S N -0.282 115.394 115.700 -0.040 0.000 2.406 270 S HA -0.014 4.454 4.470 -0.003 0.000 0.224 270 S C 2.489 177.082 174.600 -0.012 0.000 1.030 270 S CA 0.603 58.748 58.200 -0.091 0.000 0.958 270 S CB 0.057 63.215 63.200 -0.069 0.000 0.811 270 S HN 0.189 nan 8.310 nan 0.000 0.489 271 V N 2.249 122.204 119.914 0.068 0.000 2.332 271 V HA -0.206 3.913 4.120 -0.003 0.000 0.248 271 V C 2.516 178.669 176.094 0.099 0.000 1.055 271 V CA 1.844 64.224 62.300 0.135 0.000 1.038 271 V CB -0.608 31.252 31.823 0.061 0.000 0.651 271 V HN 0.379 nan 8.190 nan 0.000 0.450 272 R N -0.239 120.280 120.500 0.033 0.000 2.066 272 R HA -0.163 4.175 4.340 -0.003 0.000 0.232 272 R C 2.711 179.012 176.300 0.002 0.000 1.131 272 R CA 1.666 57.778 56.100 0.020 0.000 0.955 272 R CB -0.465 29.838 30.300 0.005 0.000 0.851 272 R HN 0.498 nan 8.270 nan 0.000 0.432 273 S N -0.301 115.364 115.700 -0.058 0.000 2.359 273 S HA -0.221 4.247 4.470 -0.003 0.000 0.222 273 S C 1.822 176.397 174.600 -0.042 0.000 1.038 273 S CA 1.589 59.715 58.200 -0.123 0.000 1.051 273 S CB -0.436 62.630 63.200 -0.223 0.000 0.944 273 S HN 0.438 nan 8.310 nan 0.000 0.433 274 Y N 1.193 121.626 120.300 0.221 0.000 2.151 274 Y HA -0.093 4.455 4.550 -0.003 0.000 0.284 274 Y C 2.273 178.294 175.900 0.201 0.000 1.166 274 Y CA 1.194 59.473 58.100 0.299 0.000 1.163 274 Y CB -0.973 37.581 38.460 0.157 0.000 0.974 274 Y HN 0.309 nan 8.280 nan 0.000 0.511 275 L N 0.237 121.600 121.223 0.234 0.000 1.976 275 L HA -0.210 4.129 4.340 -0.003 0.000 0.209 275 L C 1.880 178.805 176.870 0.091 0.000 1.071 275 L CA 2.020 56.948 54.840 0.147 0.000 0.746 275 L CB -0.644 41.471 42.059 0.093 0.000 0.890 275 L HN 0.127 nan 8.230 nan 0.000 0.432 276 N N -1.017 117.703 118.700 0.032 0.000 2.368 276 N HA -0.056 4.682 4.740 -0.003 0.000 0.176 276 N C 1.925 177.386 175.510 -0.082 0.000 1.021 276 N CA 0.767 53.807 53.050 -0.018 0.000 0.888 276 N CB -0.115 38.353 38.487 -0.032 0.000 0.995 276 N HN 0.350 nan 8.380 nan 0.000 0.437 277 R N -0.517 119.885 120.500 -0.163 0.000 2.127 277 R HA 0.108 4.446 4.340 -0.003 0.000 0.217 277 R C 0.525 176.517 176.300 -0.513 0.000 1.074 277 R CA 0.940 56.782 56.100 -0.430 0.000 0.991 277 R CB 0.141 30.020 30.300 -0.700 0.000 0.895 277 R HN 0.046 nan 8.270 nan 0.000 0.450 278 F N -1.263 118.739 119.950 0.086 0.000 2.746 278 F HA 0.384 4.909 4.527 -0.003 0.000 0.320 278 F C 1.116 176.993 175.800 0.128 0.000 1.097 278 F CA 0.252 58.333 58.000 0.135 0.000 1.195 278 F CB 1.246 40.379 39.000 0.222 0.000 1.056 278 F HN 0.162 nan 8.300 nan 0.000 0.562 279 G N 1.549 110.484 108.800 0.225 0.000 2.225 279 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.267 279 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.267 279 G C -0.243 174.763 174.900 0.177 0.000 1.024 279 G CA 0.334 45.531 45.100 0.162 0.000 0.784 279 G HN 0.194 nan 8.290 nan 0.000 0.507 280 V N 0.301 120.350 119.914 0.224 0.000 2.459 280 V HA 0.532 4.650 4.120 -0.003 0.000 0.295 280 V C 0.753 176.932 176.094 0.141 0.000 1.029 280 V CA -0.940 61.461 62.300 0.168 0.000 0.874 280 V CB 1.799 33.725 31.823 0.171 0.000 0.985 280 V HN 0.380 nan 8.190 nan 0.000 0.438 281 R N 3.012 123.562 120.500 0.082 0.000 2.221 281 R HA 0.508 4.846 4.340 -0.003 0.000 0.327 281 R C 1.009 177.329 176.300 0.033 0.000 1.033 281 R CA 0.058 56.196 56.100 0.064 0.000 0.887 281 R CB 1.407 31.736 30.300 0.047 0.000 1.057 281 R HN 0.888 nan 8.270 nan 0.000 0.455 282 A N 3.149 125.990 122.820 0.036 0.000 2.168 282 A HA 0.159 4.477 4.320 -0.003 0.000 0.215 282 A C 0.756 178.333 177.584 -0.013 0.000 1.152 282 A CA 1.202 53.234 52.037 -0.009 0.000 0.716 282 A CB 0.145 19.156 19.000 0.018 0.000 0.794 282 A HN 0.796 nan 8.150 nan 0.000 0.465 283 G N -3.365 105.439 108.800 0.005 0.000 2.451 283 G HA2 0.404 4.362 3.960 -0.003 0.000 0.292 283 G HA3 0.404 4.362 3.960 -0.003 0.000 0.292 283 G C -0.016 174.891 174.900 0.012 0.000 1.427 283 G CA 0.398 45.501 45.100 0.005 0.000 0.792 283 G HN 0.022 nan 8.290 nan 0.000 0.498 284 S N -0.881 114.826 115.700 0.013 0.000 2.524 284 S HA 0.230 4.698 4.470 -0.003 0.000 0.215 284 S C 0.623 175.235 174.600 0.020 0.000 0.986 284 S CA 0.327 58.536 58.200 0.016 0.000 0.911 284 S CB 0.121 63.329 63.200 0.014 0.000 0.805 284 S HN 0.379 nan 8.310 nan 0.000 0.501 285 K N 1.795 122.208 120.400 0.021 0.000 2.687 285 K HA 0.405 4.723 4.320 -0.003 0.000 0.197 285 K C -1.367 175.247 176.600 0.023 0.000 1.049 285 K CA -0.021 56.282 56.287 0.027 0.000 1.030 285 K CB 1.047 33.567 32.500 0.034 0.000 1.261 285 K HN 0.168 nan 8.250 nan 0.000 0.565 286 I N 2.376 122.956 120.570 0.015 0.000 2.312 286 I HA 0.267 4.435 4.170 -0.003 0.000 0.291 286 I C 0.304 176.415 176.117 -0.011 0.000 1.031 286 I CA -0.459 60.844 61.300 0.005 0.000 1.293 286 I CB 1.385 39.387 38.000 0.004 0.000 1.403 286 I HN 0.444 nan 8.210 nan 0.000 0.484 287 A N 6.728 129.536 122.820 -0.020 0.000 2.295 287 A HA 0.802 5.120 4.320 -0.003 0.000 0.318 287 A C -0.493 177.046 177.584 -0.075 0.000 1.134 287 A CA -0.462 51.539 52.037 -0.061 0.000 0.827 287 A CB 1.144 20.105 19.000 -0.066 0.000 1.136 287 A HN 0.466 nan 8.150 nan 0.000 0.493 288 V N 0.658 120.503 119.914 -0.114 0.000 2.540 288 V HA 0.722 4.841 4.120 -0.003 0.000 0.302 288 V C 0.184 176.188 176.094 -0.150 0.000 1.035 288 V CA -0.268 61.956 62.300 -0.126 0.000 0.873 288 V CB 1.460 33.190 31.823 -0.156 0.000 0.992 288 V HN 1.260 nan 8.190 nan 0.000 0.428 289 A N 2.835 125.576 122.820 -0.131 0.000 2.343 289 A HA 0.872 5.190 4.320 -0.003 0.000 0.308 289 A C -0.392 177.124 177.584 -0.114 0.000 1.092 289 A CA -0.505 51.450 52.037 -0.136 0.000 0.751 289 A CB 1.850 20.760 19.000 -0.149 0.000 1.203 289 A HN 0.773 nan 8.150 nan 0.000 0.452 290 T N 0.069 114.557 114.554 -0.110 0.000 2.900 290 T HA 0.561 4.909 4.350 -0.003 0.000 0.303 290 T C 0.748 175.416 174.700 -0.053 0.000 1.142 290 T CA 0.433 62.481 62.100 -0.087 0.000 1.007 290 T CB 1.500 70.291 68.868 -0.127 0.000 1.156 290 T HN 1.124 nan 8.240 nan 0.000 0.490 291 T N 0.316 114.848 114.554 -0.037 0.000 3.054 291 T HA 0.335 4.683 4.350 -0.003 0.000 0.255 291 T C 0.421 175.138 174.700 0.029 0.000 1.035 291 T CA -0.344 61.740 62.100 -0.028 0.000 0.941 291 T CB -0.389 68.437 68.868 -0.070 0.000 1.026 291 T HN 0.743 nan 8.240 nan 0.000 0.533 292 N N -0.407 118.334 118.700 0.068 0.000 3.106 292 N HA 0.157 4.895 4.740 -0.003 0.000 0.253 292 N C -1.153 174.465 175.510 0.181 0.000 1.506 292 N CA -0.526 52.600 53.050 0.126 0.000 0.876 292 N CB 0.837 39.422 38.487 0.163 0.000 1.452 292 N HN -0.242 nan 8.380 nan 0.000 0.542 293 D N 0.137 120.659 120.400 0.203 0.000 2.363 293 D HA -0.066 4.572 4.640 -0.003 0.000 0.220 293 D C 1.719 178.160 176.300 0.236 0.000 0.994 293 D CA 0.954 55.136 54.000 0.304 0.000 0.890 293 D CB -0.140 40.768 40.800 0.180 0.000 0.906 293 D HN 0.616 nan 8.370 nan 0.000 0.530 294 S N 0.209 116.009 115.700 0.166 0.000 2.419 294 S HA -0.167 4.302 4.470 -0.003 0.000 0.235 294 S C 2.103 176.741 174.600 0.062 0.000 1.019 294 S CA 1.252 59.532 58.200 0.132 0.000 0.982 294 S CB -0.672 62.711 63.200 0.305 0.000 0.789 294 S HN 0.236 nan 8.310 nan 0.000 0.490 295 V N -2.478 117.401 119.914 -0.059 0.000 3.217 295 V HA 0.145 4.263 4.120 -0.003 0.000 0.264 295 V C 1.927 177.874 176.094 -0.245 0.000 1.135 295 V CA 0.561 62.748 62.300 -0.188 0.000 1.142 295 V CB -1.580 30.046 31.823 -0.328 0.000 0.754 295 V HN 0.402 nan 8.190 nan 0.000 0.484 296 Y N 1.229 121.535 120.300 0.011 0.000 2.314 296 Y HA 0.124 4.672 4.550 -0.003 0.000 0.293 296 Y C 0.216 176.114 175.900 -0.004 0.000 1.129 296 Y CA 1.261 59.360 58.100 -0.002 0.000 1.201 296 Y CB -1.874 36.582 38.460 -0.007 0.000 0.999 296 Y HN 0.403 nan 8.280 nan 0.000 0.541 297 P HA -0.166 nan 4.420 nan 0.000 0.216 297 P C 1.796 179.112 177.300 0.027 0.000 1.153 297 P CA 1.010 64.141 63.100 0.053 0.000 0.844 297 P CB -0.020 31.697 31.700 0.028 0.000 0.787 298 L N -0.207 121.019 121.223 0.004 0.000 2.013 298 L HA -0.176 4.162 4.340 -0.003 0.000 0.212 298 L C 2.104 178.972 176.870 -0.003 0.000 1.073 298 L CA 2.000 56.837 54.840 -0.005 0.000 0.753 298 L CB -1.275 40.771 42.059 -0.021 0.000 0.890 298 L HN -0.184 nan 8.230 nan 0.000 0.432 299 V N -0.857 119.049 119.914 -0.014 0.000 2.287 299 V HA -0.305 3.814 4.120 -0.003 0.000 0.248 299 V C 2.796 178.910 176.094 0.033 0.000 1.053 299 V CA 1.967 64.269 62.300 0.003 0.000 1.027 299 V CB -0.918 30.915 31.823 0.017 0.000 0.646 299 V HN 0.711 nan 8.190 nan 0.000 0.447 300 S N -0.335 115.396 115.700 0.051 0.000 2.368 300 S HA -0.241 4.227 4.470 -0.003 0.000 0.225 300 S C 1.901 176.517 174.600 0.027 0.000 1.030 300 S CA 1.902 60.127 58.200 0.042 0.000 0.999 300 S CB -0.318 62.910 63.200 0.047 0.000 0.844 300 S HN 0.729 nan 8.310 nan 0.000 0.459 301 E N 0.510 120.724 120.200 0.023 0.000 2.204 301 E HA -0.028 4.320 4.350 -0.003 0.000 0.195 301 E C 1.827 178.439 176.600 0.020 0.000 0.990 301 E CA 0.997 57.408 56.400 0.018 0.000 0.821 301 E CB -0.179 29.531 29.700 0.015 0.000 0.750 301 E HN 0.507 nan 8.360 nan 0.000 0.477 302 L N 0.064 121.299 121.223 0.020 0.000 2.492 302 L HA 0.047 4.385 4.340 -0.003 0.000 0.223 302 L C 2.324 179.207 176.870 0.021 0.000 1.132 302 L CA 0.122 54.974 54.840 0.021 0.000 0.850 302 L CB -0.205 41.864 42.059 0.017 0.000 0.966 302 L HN 0.152 nan 8.230 nan 0.000 0.454 303 A N 0.677 123.510 122.820 0.021 0.000 1.865 303 A HA -0.247 4.071 4.320 -0.003 0.000 0.217 303 A C 2.548 180.143 177.584 0.019 0.000 1.191 303 A CA 1.872 53.922 52.037 0.020 0.000 0.623 303 A CB -0.694 18.318 19.000 0.021 0.000 0.826 303 A HN 0.380 nan 8.150 nan 0.000 0.444 304 A N -0.022 122.808 122.820 0.018 0.000 2.024 304 A HA -0.073 4.245 4.320 -0.003 0.000 0.220 304 A C 2.166 179.761 177.584 0.018 0.000 1.164 304 A CA 2.198 54.245 52.037 0.016 0.000 0.643 304 A CB -0.734 18.275 19.000 0.015 0.000 0.806 304 A HN 1.155 nan 8.150 nan 0.000 0.451 305 S N -2.811 112.901 115.700 0.021 0.000 2.582 305 S HA 0.477 4.945 4.470 -0.003 0.000 0.234 305 S C 1.002 175.615 174.600 0.022 0.000 0.961 305 S CA 0.786 58.999 58.200 0.022 0.000 0.953 305 S CB 0.064 63.280 63.200 0.027 0.000 0.800 305 S HN 1.767 nan 8.310 nan 0.000 0.471 306 G N -0.316 108.496 108.800 0.020 0.000 2.227 306 G HA2 0.296 4.254 3.960 -0.003 0.000 0.168 306 G HA3 0.296 4.254 3.960 -0.003 0.000 0.168 306 G C 0.931 175.843 174.900 0.021 0.000 1.006 306 G CA 0.086 45.198 45.100 0.020 0.000 0.684 306 G HN 1.686 nan 8.290 nan 0.000 0.489 307 G N -1.312 107.500 108.800 0.020 0.000 2.569 307 G HA2 0.241 4.199 3.960 -0.003 0.000 0.259 307 G HA3 0.241 4.199 3.960 -0.003 0.000 0.259 307 G C 0.551 175.460 174.900 0.015 0.000 1.263 307 G CA 1.706 46.817 45.100 0.019 0.000 0.928 307 G HN 2.123 nan 8.290 nan 0.000 0.572 308 V N -3.166 116.756 119.914 0.012 0.000 2.962 308 V HA 0.765 4.883 4.120 -0.003 0.000 0.313 308 V C 1.301 177.399 176.094 0.007 0.000 1.099 308 V CA 0.072 62.373 62.300 0.002 0.000 0.971 308 V CB 1.260 33.071 31.823 -0.019 0.000 1.028 308 V HN 1.362 nan 8.190 nan 0.000 0.430 309 V N 1.635 121.552 119.914 0.006 0.000 2.261 309 V HA 0.248 4.367 4.120 -0.003 0.000 0.246 309 V C 1.173 177.257 176.094 -0.016 0.000 1.047 309 V CA 2.525 64.842 62.300 0.029 0.000 1.015 309 V CB -0.490 31.362 31.823 0.049 0.000 0.642 309 V HN 1.570 nan 8.190 nan 0.000 0.446 310 A N -1.824 120.933 122.820 -0.104 0.000 2.583 310 A HA 0.617 4.935 4.320 -0.003 0.000 0.292 310 A C -1.459 176.024 177.584 -0.168 0.000 1.045 310 A CA -0.428 51.507 52.037 -0.169 0.000 0.672 310 A CB 1.295 20.045 19.000 -0.417 0.000 1.283 310 A HN -0.017 nan 8.150 nan 0.000 0.419 311 V N 2.319 122.157 119.914 -0.126 0.000 2.398 311 V HA 0.436 4.554 4.120 -0.003 0.000 0.286 311 V C -0.488 175.529 176.094 -0.129 0.000 1.026 311 V CA -0.469 61.758 62.300 -0.122 0.000 0.868 311 V CB 1.345 33.138 31.823 -0.050 0.000 0.982 311 V HN 0.619 nan 8.190 nan 0.000 0.443 312 I N 4.169 124.642 120.570 -0.161 0.000 2.306 312 I HA 0.387 4.555 4.170 -0.003 0.000 0.288 312 I C -0.255 175.802 176.117 -0.101 0.000 1.036 312 I CA -0.017 61.188 61.300 -0.158 0.000 1.221 312 I CB 1.189 39.063 38.000 -0.209 0.000 1.385 312 I HN 0.591 nan 8.210 nan 0.000 0.472 313 D N 5.084 125.455 120.400 -0.048 0.000 2.344 313 D HA 0.431 5.070 4.640 -0.003 0.000 0.239 313 D C 0.765 177.053 176.300 -0.019 0.000 1.064 313 D CA -0.377 53.621 54.000 -0.004 0.000 0.829 313 D CB 2.395 43.246 40.800 0.085 0.000 1.129 313 D HN 0.571 nan 8.370 nan 0.000 0.506 314 A N 4.819 127.620 122.820 -0.031 0.000 2.067 314 A HA -0.064 4.254 4.320 -0.003 0.000 0.219 314 A C 1.184 178.754 177.584 -0.024 0.000 1.158 314 A CA 0.653 52.666 52.037 -0.040 0.000 0.661 314 A CB -0.046 18.917 19.000 -0.062 0.000 0.801 314 A HN 0.553 nan 8.150 nan 0.000 0.452 315 R N 0.163 120.660 120.500 -0.004 0.000 2.543 315 R HA 0.154 4.492 4.340 -0.003 0.000 0.277 315 R C 0.777 177.078 176.300 0.002 0.000 1.074 315 R CA -0.363 55.739 56.100 0.003 0.000 1.076 315 R CB 0.392 30.704 30.300 0.021 0.000 0.993 315 R HN 0.360 nan 8.270 nan 0.000 0.459 316 Q N 1.429 121.229 119.800 -0.000 0.000 2.119 316 Q HA -0.066 4.272 4.340 -0.003 0.000 0.201 316 Q C -0.078 175.922 176.000 -0.000 0.000 0.972 316 Q CA 1.447 57.249 55.803 -0.001 0.000 0.847 316 Q CB -0.063 28.675 28.738 0.000 0.000 0.903 316 Q HN 0.565 nan 8.270 nan 0.000 0.433 317 N N -0.539 118.160 118.700 -0.001 0.000 2.362 317 N HA 0.399 5.137 4.740 -0.003 0.000 0.299 317 N C -0.953 174.549 175.510 -0.013 0.000 1.170 317 N CA -0.648 52.398 53.050 -0.007 0.000 0.825 317 N CB 1.623 40.105 38.487 -0.008 0.000 1.299 317 N HN -0.099 nan 8.380 nan 0.000 0.502 318 I N 1.483 122.038 120.570 -0.026 0.000 2.517 318 I HA 0.009 4.178 4.170 -0.003 0.000 0.285 318 I C 0.797 176.874 176.117 -0.066 0.000 1.106 318 I CA 0.222 61.490 61.300 -0.053 0.000 1.402 318 I CB 0.201 38.164 38.000 -0.061 0.000 1.399 318 I HN 0.554 nan 8.210 nan 0.000 0.535 319 S N 5.231 120.878 115.700 -0.088 0.000 2.645 319 S HA 0.491 4.959 4.470 -0.003 0.000 0.266 319 S C 1.281 175.802 174.600 -0.131 0.000 1.258 319 S CA -0.210 57.937 58.200 -0.088 0.000 0.990 319 S CB 1.486 64.644 63.200 -0.070 0.000 0.967 319 S HN 0.684 nan 8.310 nan 0.000 0.556 320 A N 1.429 124.188 122.820 -0.103 0.000 1.902 320 A HA 0.172 4.490 4.320 -0.003 0.000 0.217 320 A C 2.411 179.904 177.584 -0.152 0.000 1.181 320 A CA 1.778 53.751 52.037 -0.106 0.000 0.623 320 A CB -1.742 17.215 19.000 -0.073 0.000 0.818 320 A HN 1.357 nan 8.150 nan 0.000 0.443 321 A N 0.044 122.760 122.820 -0.172 0.000 1.883 321 A HA 0.091 4.409 4.320 -0.003 0.000 0.217 321 A C 2.525 179.776 177.584 -0.555 0.000 1.186 321 A CA 2.324 54.217 52.037 -0.240 0.000 0.624 321 A CB -1.135 17.796 19.000 -0.115 0.000 0.822 321 A HN 1.144 nan 8.150 nan 0.000 0.444 322 A N -0.296 122.031 122.820 -0.822 0.000 1.972 322 A HA 0.148 4.466 4.320 -0.003 0.000 0.219 322 A C 2.442 179.742 177.584 -0.474 0.000 1.169 322 A CA 2.022 53.382 52.037 -1.128 0.000 0.635 322 A CB -0.935 17.651 19.000 -0.689 0.000 0.810 322 A HN 1.145 nan 8.150 nan 0.000 0.446 323 A N -1.086 121.562 122.820 -0.286 0.000 2.019 323 A HA -0.167 4.151 4.320 -0.003 0.000 0.219 323 A C 2.049 179.557 177.584 -0.127 0.000 1.164 323 A CA 1.683 53.626 52.037 -0.157 0.000 0.644 323 A CB -0.356 18.576 19.000 -0.112 0.000 0.805 323 A HN 0.490 nan 8.150 nan 0.000 0.449 324 Q N -0.369 119.342 119.800 -0.149 0.000 2.123 324 Q HA -0.004 4.334 4.340 -0.003 0.000 0.199 324 Q C 2.365 178.331 176.000 -0.056 0.000 0.966 324 Q CA 1.546 57.297 55.803 -0.087 0.000 0.845 324 Q CB -0.952 27.742 28.738 -0.073 0.000 0.907 324 Q HN 0.647 nan 8.270 nan 0.000 0.439 325 A N 0.446 123.223 122.820 -0.072 0.000 1.902 325 A HA -0.119 4.199 4.320 -0.003 0.000 0.217 325 A C 2.439 180.024 177.584 0.003 0.000 1.181 325 A CA 1.543 53.590 52.037 0.017 0.000 0.623 325 A CB -0.722 18.357 19.000 0.133 0.000 0.818 325 A HN 0.200 nan 8.150 nan 0.000 0.443 326 V N 0.774 120.667 119.914 -0.035 0.000 2.332 326 V HA -0.254 3.864 4.120 -0.003 0.000 0.248 326 V C 2.871 178.957 176.094 -0.014 0.000 1.055 326 V CA 2.468 64.756 62.300 -0.019 0.000 1.038 326 V CB -1.446 30.356 31.823 -0.036 0.000 0.651 326 V HN 0.808 nan 8.190 nan 0.000 0.450 327 T N -2.298 112.242 114.554 -0.023 0.000 2.995 327 T HA -0.122 4.226 4.350 -0.003 0.000 0.269 327 T C 1.293 175.990 174.700 -0.005 0.000 1.091 327 T CA 1.107 63.198 62.100 -0.015 0.000 1.128 327 T CB -0.352 68.504 68.868 -0.019 0.000 0.891 327 T HN 0.390 nan 8.240 nan 0.000 0.492 328 D N 1.484 121.884 120.400 0.000 0.000 2.363 328 D HA 0.214 4.852 4.640 -0.003 0.000 0.226 328 D C 1.721 178.029 176.300 0.014 0.000 1.020 328 D CA 0.874 54.880 54.000 0.009 0.000 0.892 328 D CB -0.403 40.407 40.800 0.017 0.000 0.900 328 D HN 0.636 nan 8.370 nan 0.000 0.531 329 G N -0.161 108.647 108.800 0.013 0.000 2.157 329 G HA2 -0.272 3.686 3.960 -0.003 0.000 0.239 329 G HA3 -0.272 3.686 3.960 -0.003 0.000 0.239 329 G C 0.407 175.322 174.900 0.024 0.000 0.982 329 G CA 0.140 45.250 45.100 0.017 0.000 0.650 329 G HN 0.284 nan 8.290 nan 0.000 0.527 330 V N 1.357 121.289 119.914 0.030 0.000 2.811 330 V HA 0.407 4.525 4.120 -0.003 0.000 0.302 330 V C 1.195 177.310 176.094 0.035 0.000 1.063 330 V CA 0.666 62.989 62.300 0.038 0.000 1.088 330 V CB 1.396 33.256 31.823 0.061 0.000 0.982 330 V HN 0.311 nan 8.190 nan 0.000 0.485 331 T N 4.612 119.184 114.554 0.030 0.000 2.738 331 T HA 0.330 4.678 4.350 -0.003 0.000 0.294 331 T C -0.187 174.517 174.700 0.006 0.000 0.914 331 T CA -0.105 62.010 62.100 0.024 0.000 1.052 331 T CB 0.274 69.163 68.868 0.035 0.000 0.897 331 T HN 0.403 nan 8.240 nan 0.000 0.522 332 V N 5.632 125.557 119.914 0.019 0.000 2.384 332 V HA 0.367 4.486 4.120 -0.003 0.000 0.287 332 V C -0.425 175.669 176.094 0.001 0.000 1.020 332 V CA -1.019 61.295 62.300 0.024 0.000 0.850 332 V CB 1.291 33.154 31.823 0.067 0.000 0.987 332 V HN 0.570 nan 8.190 nan 0.000 0.436 333 L N 5.584 126.787 121.223 -0.033 0.000 2.265 333 L HA 0.532 4.870 4.340 -0.003 0.000 0.289 333 L C 0.793 177.652 176.870 -0.019 0.000 1.033 333 L CA 0.244 55.066 54.840 -0.030 0.000 0.814 333 L CB 1.336 43.352 42.059 -0.071 0.000 1.203 333 L HN 0.883 nan 8.230 nan 0.000 0.423 334 T N -1.296 113.256 114.554 -0.003 0.000 2.881 334 T HA 0.571 4.919 4.350 -0.003 0.000 0.278 334 T C 1.058 175.755 174.700 -0.005 0.000 0.982 334 T CA -0.176 61.924 62.100 -0.000 0.000 0.989 334 T CB 1.404 70.274 68.868 0.004 0.000 1.058 334 T HN 0.969 nan 8.240 nan 0.000 0.529 335 G N 0.726 109.522 108.800 -0.007 0.000 2.258 335 G HA2 -0.185 3.774 3.960 -0.003 0.000 0.274 335 G HA3 -0.185 3.774 3.960 -0.003 0.000 0.274 335 G C 0.109 174.999 174.900 -0.016 0.000 1.021 335 G CA 0.342 45.436 45.100 -0.009 0.000 0.798 335 G HN 1.031 nan 8.290 nan 0.000 0.507 336 S N -1.696 113.987 115.700 -0.028 0.000 2.599 336 S HA 0.846 5.314 4.470 -0.003 0.000 0.294 336 S C -0.033 174.525 174.600 -0.070 0.000 1.094 336 S CA -0.171 58.005 58.200 -0.040 0.000 0.931 336 S CB 2.960 66.136 63.200 -0.040 0.000 1.093 336 S HN 1.524 nan 8.310 nan 0.000 0.488 337 V N -1.174 118.691 119.914 -0.082 0.000 3.078 337 V HA 0.753 4.871 4.120 -0.003 0.000 0.311 337 V C -0.684 175.296 176.094 -0.191 0.000 1.138 337 V CA -0.975 61.243 62.300 -0.136 0.000 1.007 337 V CB 1.454 33.214 31.823 -0.105 0.000 1.045 337 V HN 0.559 nan 8.190 nan 0.000 0.432 338 V N 2.637 122.344 119.914 -0.345 0.000 2.470 338 V HA 0.518 4.636 4.120 -0.003 0.000 0.276 338 V C 1.253 177.071 176.094 -0.461 0.000 1.040 338 V CA 0.877 62.913 62.300 -0.440 0.000 1.008 338 V CB 0.583 31.993 31.823 -0.687 0.000 0.990 338 V HN 1.282 nan 8.190 nan 0.000 0.477 339 A N 4.545 127.259 122.820 -0.176 0.000 2.288 339 A HA 0.360 4.679 4.320 -0.003 0.000 0.216 339 A C 0.748 178.380 177.584 0.079 0.000 1.199 339 A CA 0.238 52.261 52.037 -0.024 0.000 0.891 339 A CB 0.028 19.044 19.000 0.027 0.000 0.923 339 A HN 0.693 nan 8.150 nan 0.000 0.500 340 N N -1.485 117.258 118.700 0.073 0.000 3.227 340 N HA 0.395 5.133 4.740 -0.003 0.000 0.241 340 N C -1.278 174.324 175.510 0.154 0.000 1.480 340 N CA 0.617 53.762 53.050 0.159 0.000 0.886 340 N CB 1.415 39.963 38.487 0.101 0.000 1.406 340 N HN 0.229 nan 8.380 nan 0.000 0.514 341 T N -2.350 112.301 114.554 0.161 0.000 2.816 341 T HA 0.712 5.060 4.350 -0.003 0.000 0.299 341 T C -0.956 173.790 174.700 0.075 0.000 1.230 341 T CA -0.694 61.483 62.100 0.129 0.000 1.007 341 T CB 2.158 71.135 68.868 0.182 0.000 1.289 341 T HN 0.401 nan 8.240 nan 0.000 0.508 342 E N -0.403 119.830 120.200 0.056 0.000 2.339 342 E HA 0.733 5.081 4.350 -0.003 0.000 0.262 342 E C -0.843 175.769 176.600 0.019 0.000 0.934 342 E CA -1.497 54.918 56.400 0.025 0.000 0.802 342 E CB 2.277 31.990 29.700 0.021 0.000 1.275 342 E HN 0.956 nan 8.360 nan 0.000 0.427 343 A N 1.167 123.987 122.820 -0.000 0.000 2.413 343 A HA 0.518 4.836 4.320 -0.003 0.000 0.307 343 A C -1.006 176.574 177.584 -0.007 0.000 1.087 343 A CA -0.809 51.224 52.037 -0.006 0.000 0.750 343 A CB 1.014 20.001 19.000 -0.023 0.000 1.296 343 A HN 0.678 nan 8.150 nan 0.000 0.423 344 D N 0.509 120.905 120.400 -0.006 0.000 2.469 344 D HA 0.493 5.131 4.640 -0.003 0.000 0.278 344 D C 1.099 177.392 176.300 -0.012 0.000 1.231 344 D CA 0.158 54.154 54.000 -0.007 0.000 1.075 344 D CB 0.347 41.145 40.800 -0.005 0.000 1.121 344 D HN 0.465 nan 8.370 nan 0.000 0.571 345 A N -0.645 122.168 122.820 -0.012 0.000 2.066 345 A HA -0.037 4.282 4.320 -0.003 0.000 0.218 345 A C 1.892 179.466 177.584 -0.016 0.000 1.157 345 A CA 1.452 53.480 52.037 -0.014 0.000 0.670 345 A CB -1.012 17.981 19.000 -0.012 0.000 0.804 345 A HN 0.563 nan 8.150 nan 0.000 0.453 346 S N -1.522 114.168 115.700 -0.016 0.000 2.607 346 S HA 0.342 4.810 4.470 -0.003 0.000 0.224 346 S C 1.436 176.022 174.600 -0.023 0.000 0.969 346 S CA 1.085 59.273 58.200 -0.019 0.000 0.927 346 S CB -0.539 62.651 63.200 -0.018 0.000 0.772 346 S HN 1.848 nan 8.310 nan 0.000 0.533 347 G N 0.376 109.161 108.800 -0.024 0.000 2.179 347 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.260 347 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.260 347 G C -0.183 174.702 174.900 -0.026 0.000 0.977 347 G CA 0.280 45.363 45.100 -0.030 0.000 0.641 347 G HN 0.630 nan 8.290 nan 0.000 0.533 348 E N -0.309 119.880 120.200 -0.018 0.000 2.318 348 E HA 0.513 4.862 4.350 -0.003 0.000 0.265 348 E C 0.375 176.976 176.600 0.001 0.000 1.069 348 E CA -1.046 55.348 56.400 -0.010 0.000 0.893 348 E CB 1.416 31.110 29.700 -0.011 0.000 1.076 348 E HN 0.212 nan 8.360 nan 0.000 0.414 349 L N 2.336 123.567 121.223 0.013 0.000 2.601 349 L HA -0.123 4.215 4.340 -0.003 0.000 0.277 349 L C 0.718 177.604 176.870 0.025 0.000 1.219 349 L CA 1.009 55.867 54.840 0.029 0.000 0.915 349 L CB 0.395 42.481 42.059 0.046 0.000 1.160 349 L HN 0.612 nan 8.230 nan 0.000 0.494 350 S N 2.741 118.458 115.700 0.028 0.000 2.554 350 S HA 0.735 5.203 4.470 -0.003 0.000 0.227 350 S C 0.364 174.987 174.600 0.039 0.000 1.050 350 S CA 0.119 58.335 58.200 0.026 0.000 0.927 350 S CB 0.343 63.552 63.200 0.015 0.000 0.859 350 S HN 1.014 nan 8.310 nan 0.000 0.494 351 A N 1.017 123.867 122.820 0.050 0.000 2.597 351 A HA 0.673 4.991 4.320 -0.003 0.000 0.292 351 A C -1.108 176.526 177.584 0.083 0.000 1.057 351 A CA -0.392 51.686 52.037 0.069 0.000 0.674 351 A CB 1.020 20.052 19.000 0.053 0.000 1.278 351 A HN 1.091 nan 8.150 nan 0.000 0.416 352 V N -1.000 118.978 119.914 0.107 0.000 2.628 352 V HA 0.898 5.017 4.120 -0.003 0.000 0.306 352 V C -1.150 175.018 176.094 0.123 0.000 1.045 352 V CA -0.899 61.457 62.300 0.094 0.000 0.905 352 V CB 1.368 33.217 31.823 0.043 0.000 0.997 352 V HN 0.758 nan 8.190 nan 0.000 0.436 353 L N 4.736 126.005 121.223 0.078 0.000 2.294 353 L HA 0.641 4.979 4.340 -0.003 0.000 0.283 353 L C -0.104 176.797 176.870 0.052 0.000 1.015 353 L CA -0.045 54.844 54.840 0.082 0.000 0.831 353 L CB 1.546 43.639 42.059 0.056 0.000 1.217 353 L HN 0.671 nan 8.230 nan 0.000 0.420 354 V N 2.983 122.963 119.914 0.111 0.000 2.483 354 V HA 0.932 5.050 4.120 -0.003 0.000 0.295 354 V C 0.082 176.211 176.094 0.059 0.000 1.035 354 V CA -0.508 61.824 62.300 0.054 0.000 0.896 354 V CB 1.517 33.388 31.823 0.080 0.000 0.986 354 V HN 0.849 nan 8.190 nan 0.000 0.447 355 A N 2.668 125.496 122.820 0.014 0.000 2.539 355 A HA 0.830 5.148 4.320 -0.003 0.000 0.296 355 A C -0.060 177.527 177.584 0.005 0.000 1.073 355 A CA -0.375 51.675 52.037 0.021 0.000 0.700 355 A CB 1.713 20.726 19.000 0.022 0.000 1.296 355 A HN 0.915 nan 8.150 nan 0.000 0.405 356 T N -0.808 113.753 114.554 0.013 0.000 2.900 356 T HA 0.465 4.814 4.350 -0.003 0.000 0.307 356 T C -0.335 174.369 174.700 0.006 0.000 1.065 356 T CA 0.024 62.127 62.100 0.006 0.000 1.105 356 T CB 0.586 69.461 68.868 0.011 0.000 0.979 356 T HN 1.373 nan 8.240 nan 0.000 0.544 357 L N 2.787 124.011 121.223 0.002 0.000 2.446 357 L HA 0.453 4.792 4.340 -0.003 0.000 0.268 357 L C -0.850 176.022 176.870 0.003 0.000 0.975 357 L CA -0.518 54.326 54.840 0.007 0.000 0.848 357 L CB 1.570 43.630 42.059 0.002 0.000 1.225 357 L HN 0.981 nan 8.230 nan 0.000 0.410 358 D N 2.076 122.482 120.400 0.010 0.000 2.451 358 D HA 0.122 4.760 4.640 -0.003 0.000 0.259 358 D C 0.518 176.822 176.300 0.007 0.000 1.201 358 D CA -0.202 53.802 54.000 0.007 0.000 1.028 358 D CB 0.647 41.453 40.800 0.010 0.000 1.095 358 D HN 0.604 nan 8.370 nan 0.000 0.539 359 E N -1.363 118.841 120.200 0.006 0.000 2.333 359 E HA -0.144 4.204 4.350 -0.003 0.000 0.198 359 E C 1.211 177.819 176.600 0.014 0.000 1.007 359 E CA 0.751 57.156 56.400 0.007 0.000 0.845 359 E CB 0.080 29.785 29.700 0.009 0.000 0.766 359 E HN 0.358 nan 8.360 nan 0.000 0.507 360 Q N -0.094 119.715 119.800 0.016 0.000 2.280 360 Q HA 0.137 4.475 4.340 -0.003 0.000 0.201 360 Q C -0.128 175.887 176.000 0.025 0.000 0.890 360 Q CA 0.007 55.822 55.803 0.020 0.000 0.947 360 Q CB 0.594 29.343 28.738 0.018 0.000 1.081 360 Q HN 0.204 nan 8.270 nan 0.000 0.502 361 R N 0.257 120.772 120.500 0.025 0.000 3.654 361 R HA -0.137 4.201 4.340 -0.003 0.000 0.302 361 R C -0.874 175.450 176.300 0.040 0.000 1.166 361 R CA 0.286 56.407 56.100 0.035 0.000 0.810 361 R CB -2.350 27.976 30.300 0.044 0.000 1.323 361 R HN 0.357 nan 8.270 nan 0.000 0.478 362 N N 0.740 119.459 118.700 0.031 0.000 2.488 362 N HA 0.336 5.074 4.740 -0.003 0.000 0.274 362 N C -0.155 175.374 175.510 0.031 0.000 1.111 362 N CA -0.332 52.736 53.050 0.031 0.000 0.974 362 N CB 0.973 39.473 38.487 0.023 0.000 1.089 362 N HN 0.071 nan 8.380 nan 0.000 0.465 363 L N 1.460 122.705 121.223 0.036 0.000 2.312 363 L HA 0.438 4.776 4.340 -0.003 0.000 0.281 363 L C 1.307 178.192 176.870 0.025 0.000 1.070 363 L CA -0.526 54.335 54.840 0.034 0.000 0.805 363 L CB 1.033 43.119 42.059 0.045 0.000 1.174 363 L HN 0.646 nan 8.230 nan 0.000 0.434 364 G N 1.956 110.769 108.800 0.022 0.000 2.508 364 G HA2 0.190 4.148 3.960 -0.003 0.000 0.278 364 G HA3 0.190 4.148 3.960 -0.003 0.000 0.278 364 G C -0.332 174.580 174.900 0.020 0.000 1.389 364 G CA -0.508 44.604 45.100 0.020 0.000 1.050 364 G HN 0.492 nan 8.290 nan 0.000 0.522 365 E N -0.292 119.919 120.200 0.019 0.000 2.354 365 E HA 0.425 4.773 4.350 -0.003 0.000 0.269 365 E C 0.442 177.057 176.600 0.025 0.000 1.036 365 E CA -0.214 56.197 56.400 0.018 0.000 0.876 365 E CB 1.453 31.161 29.700 0.013 0.000 1.009 365 E HN 0.523 nan 8.360 nan 0.000 0.416 366 A N 2.917 125.752 122.820 0.025 0.000 2.354 366 A HA 0.225 4.543 4.320 -0.003 0.000 0.269 366 A C 0.091 177.695 177.584 0.034 0.000 1.109 366 A CA -0.284 51.775 52.037 0.036 0.000 0.800 366 A CB 0.530 19.550 19.000 0.033 0.000 1.045 366 A HN 0.580 nan 8.150 nan 0.000 0.489 367 Q N 1.138 120.978 119.800 0.066 0.000 2.342 367 Q HA 0.499 4.837 4.340 -0.003 0.000 0.267 367 Q C -0.510 175.515 176.000 0.040 0.000 1.038 367 Q CA -0.755 55.063 55.803 0.026 0.000 0.832 367 Q CB 1.318 30.095 28.738 0.065 0.000 1.323 367 Q HN 0.788 nan 8.270 nan 0.000 0.448 368 R N 3.328 123.773 120.500 -0.092 0.000 2.265 368 R HA 0.391 4.729 4.340 -0.003 0.000 0.319 368 R C -1.551 174.609 176.300 -0.234 0.000 1.006 368 R CA -0.120 55.947 56.100 -0.055 0.000 0.880 368 R CB 0.560 30.823 30.300 -0.062 0.000 1.077 368 R HN 0.485 nan 8.270 nan 0.000 0.454 369 F N 2.054 121.999 119.950 -0.008 0.000 2.495 369 F HA 0.300 4.825 4.527 -0.003 0.000 0.327 369 F C 0.233 176.031 175.800 -0.003 0.000 1.103 369 F CA -0.744 57.252 58.000 -0.007 0.000 0.949 369 F CB 2.048 41.041 39.000 -0.011 0.000 1.142 369 F HN 0.418 nan 8.300 nan 0.000 0.457 370 E N 2.034 122.315 120.200 0.135 0.000 2.338 370 E HA 0.613 4.962 4.350 -0.003 0.000 0.272 370 E C -0.760 175.901 176.600 0.102 0.000 1.029 370 E CA -0.358 56.094 56.400 0.088 0.000 0.872 370 E CB 1.211 30.938 29.700 0.045 0.000 1.015 370 E HN 0.640 nan 8.360 nan 0.000 0.417 371 A N 2.517 125.382 122.820 0.075 0.000 2.574 371 A HA 0.287 4.605 4.320 -0.003 0.000 0.297 371 A C -0.565 177.044 177.584 0.042 0.000 1.062 371 A CA -0.798 51.275 52.037 0.059 0.000 0.686 371 A CB 1.169 20.204 19.000 0.058 0.000 1.285 371 A HN 0.702 nan 8.150 nan 0.000 0.403 372 D N 0.135 120.554 120.400 0.031 0.000 2.392 372 D HA 0.229 4.868 4.640 -0.003 0.000 0.206 372 D C 0.111 176.424 176.300 0.022 0.000 1.046 372 D CA 0.465 54.478 54.000 0.023 0.000 0.865 372 D CB 0.332 41.140 40.800 0.014 0.000 0.969 372 D HN 0.265 nan 8.370 nan 0.000 0.509 373 V N 0.807 120.735 119.914 0.024 0.000 2.789 373 V HA 0.412 4.530 4.120 -0.003 0.000 0.311 373 V C -1.379 174.730 176.094 0.025 0.000 1.073 373 V CA -1.077 61.237 62.300 0.024 0.000 0.921 373 V CB 2.536 34.367 31.823 0.015 0.000 1.009 373 V HN 0.092 nan 8.190 nan 0.000 0.426 374 L N 4.260 125.505 121.223 0.037 0.000 2.316 374 L HA 0.861 5.199 4.340 -0.003 0.000 0.280 374 L C 0.235 177.114 176.870 0.014 0.000 1.006 374 L CA -0.304 54.555 54.840 0.032 0.000 0.836 374 L CB 1.129 43.239 42.059 0.085 0.000 1.221 374 L HN 0.777 nan 8.230 nan 0.000 0.418 375 A N 5.531 128.339 122.820 -0.020 0.000 2.310 375 A HA 0.638 4.957 4.320 -0.003 0.000 0.300 375 A C -0.659 176.894 177.584 -0.052 0.000 1.269 375 A CA -0.401 51.611 52.037 -0.042 0.000 0.909 375 A CB 0.217 19.190 19.000 -0.046 0.000 1.144 375 A HN 0.514 nan 8.150 nan 0.000 0.540 376 V N 2.623 122.506 119.914 -0.051 0.000 2.398 376 V HA 0.537 4.655 4.120 -0.003 0.000 0.286 376 V C 0.446 176.500 176.094 -0.067 0.000 1.026 376 V CA -0.298 61.987 62.300 -0.024 0.000 0.868 376 V CB 1.624 33.494 31.823 0.077 0.000 0.982 376 V HN 0.838 nan 8.190 nan 0.000 0.443 377 S N 3.130 118.786 115.700 -0.074 0.000 2.669 377 S HA 0.546 5.014 4.470 -0.003 0.000 0.315 377 S C 0.761 175.294 174.600 -0.113 0.000 1.106 377 S CA -0.020 58.105 58.200 -0.124 0.000 1.107 377 S CB 0.970 64.113 63.200 -0.095 0.000 0.990 377 S HN 0.998 nan 8.310 nan 0.000 0.471 378 G N 2.409 111.134 108.800 -0.125 0.000 3.371 378 G HA2 0.539 4.498 3.960 -0.003 0.000 0.248 378 G HA3 0.539 4.498 3.960 -0.003 0.000 0.248 378 G C 0.775 175.596 174.900 -0.131 0.000 1.161 378 G CA 0.115 45.163 45.100 -0.088 0.000 0.796 378 G HN 1.369 nan 8.290 nan 0.000 0.539 379 G N -0.678 107.971 108.800 -0.252 0.000 2.422 379 G HA2 0.132 4.090 3.960 -0.003 0.000 0.607 379 G HA3 0.132 4.090 3.960 -0.003 0.000 0.607 379 G C -1.076 173.412 174.900 -0.687 0.000 1.270 379 G CA -1.061 43.914 45.100 -0.208 0.000 0.992 379 G HN 0.390 nan 8.290 nan 0.000 0.499 380 F N 0.363 120.379 119.950 0.110 0.000 2.578 380 F HA 0.571 5.096 4.527 -0.003 0.000 0.311 380 F C -0.111 175.777 175.800 0.147 0.000 1.094 380 F CA -1.015 57.058 58.000 0.122 0.000 0.923 380 F CB 2.563 41.602 39.000 0.066 0.000 1.230 380 F HN 0.323 nan 8.300 nan 0.000 0.450 381 N N 3.404 122.297 118.700 0.320 0.000 2.501 381 N HA 0.333 5.072 4.740 -0.003 0.000 0.245 381 N C -2.827 172.835 175.510 0.252 0.000 0.974 381 N CA -1.680 51.555 53.050 0.309 0.000 0.941 381 N CB 1.504 40.209 38.487 0.363 0.000 1.122 381 N HN 0.105 nan 8.380 nan 0.000 0.507 382 P HA -0.095 nan 4.420 nan 0.000 0.264 382 P C -0.098 177.258 177.300 0.095 0.000 1.173 382 P CA 0.157 63.309 63.100 0.086 0.000 0.761 382 P CB 0.719 32.444 31.700 0.043 0.000 0.794 383 V N 4.619 124.531 119.914 -0.002 0.000 2.223 383 V HA -0.001 4.117 4.120 -0.003 0.000 0.249 383 V C 1.506 177.634 176.094 0.056 0.000 1.233 383 V CA 0.199 62.515 62.300 0.026 0.000 1.131 383 V CB 0.020 31.679 31.823 -0.274 0.000 1.298 383 V HN 0.467 nan 8.190 nan 0.000 0.498 384 V N 0.164 120.132 119.914 0.090 0.000 3.649 384 V HA 0.030 4.148 4.120 -0.003 0.000 0.275 384 V C 1.929 177.872 176.094 -0.250 0.000 1.281 384 V CA 0.567 62.794 62.300 -0.122 0.000 1.143 384 V CB -1.183 30.506 31.823 -0.223 0.000 0.892 384 V HN 0.748 nan 8.190 nan 0.000 0.441 385 H N 1.584 120.416 119.070 -0.397 0.000 2.321 385 H HA -0.151 4.403 4.556 -0.003 0.000 0.295 385 H C 2.012 177.228 175.328 -0.187 0.000 1.102 385 H CA 2.507 58.373 56.048 -0.303 0.000 1.266 385 H CB -0.748 29.145 29.762 0.218 0.000 1.363 385 H HN 0.431 nan 8.280 nan 0.000 0.492 386 L N -0.731 120.477 121.223 -0.026 0.000 2.156 386 L HA -0.124 4.214 4.340 -0.003 0.000 0.208 386 L C 2.627 179.453 176.870 -0.073 0.000 1.095 386 L CA 1.149 55.946 54.840 -0.072 0.000 0.770 386 L CB -0.523 41.460 42.059 -0.126 0.000 0.914 386 L HN 0.457 nan 8.230 nan 0.000 0.439 387 H N 0.113 119.092 119.070 -0.151 0.000 2.319 387 H HA -0.152 4.403 4.556 -0.003 0.000 0.299 387 H C 2.178 177.425 175.328 -0.135 0.000 1.092 387 H CA 1.965 57.932 56.048 -0.135 0.000 1.302 387 H CB 0.372 30.053 29.762 -0.136 0.000 1.373 387 H HN 0.224 nan 8.280 nan 0.000 0.497 388 S N 0.680 116.243 115.700 -0.229 0.000 2.428 388 S HA -0.097 4.372 4.470 -0.003 0.000 0.230 388 S C 2.071 176.610 174.600 -0.102 0.000 1.014 388 S CA 0.672 58.742 58.200 -0.216 0.000 0.957 388 S CB -0.083 62.966 63.200 -0.251 0.000 0.784 388 S HN 0.519 nan 8.310 nan 0.000 0.499 389 Q N 0.542 120.297 119.800 -0.075 0.000 2.234 389 Q HA -0.015 4.323 4.340 -0.003 0.000 0.206 389 Q C 1.091 177.027 176.000 -0.106 0.000 0.980 389 Q CA 0.786 56.554 55.803 -0.058 0.000 0.869 389 Q CB -0.054 28.622 28.738 -0.102 0.000 0.912 389 Q HN 0.223 nan 8.270 nan 0.000 0.436 390 R N 0.778 121.187 120.500 -0.151 0.000 2.555 390 R HA 0.052 4.390 4.340 -0.003 0.000 0.272 390 R C -0.193 176.019 176.300 -0.147 0.000 1.089 390 R CA 0.068 56.087 56.100 -0.136 0.000 1.126 390 R CB 0.257 30.473 30.300 -0.140 0.000 1.250 390 R HN 0.238 nan 8.270 nan 0.000 0.551 391 Q N -1.504 118.215 119.800 -0.135 0.000 2.480 391 Q HA -0.157 4.181 4.340 -0.003 0.000 0.265 391 Q C 0.414 176.294 176.000 -0.199 0.000 1.072 391 Q CA 1.182 56.914 55.803 -0.119 0.000 1.018 391 Q CB -2.092 26.607 28.738 -0.065 0.000 1.433 391 Q HN 0.552 nan 8.270 nan 0.000 0.513 392 G N 0.502 109.047 108.800 -0.424 0.000 2.380 392 G HA2 0.277 4.235 3.960 -0.003 0.000 0.242 392 G HA3 0.277 4.235 3.960 -0.003 0.000 0.242 392 G C -0.096 174.642 174.900 -0.269 0.000 1.298 392 G CA -0.441 44.231 45.100 -0.714 0.000 0.878 392 G HN 0.104 nan 8.290 nan 0.000 0.542 393 K N 0.621 121.033 120.400 0.020 0.000 2.087 393 K HA 0.553 4.871 4.320 -0.003 0.000 0.255 393 K C -0.121 176.635 176.600 0.260 0.000 0.988 393 K CA -0.406 55.958 56.287 0.127 0.000 0.915 393 K CB 1.386 33.943 32.500 0.095 0.000 1.043 393 K HN 0.288 nan 8.250 nan 0.000 0.457 394 L N 1.617 122.964 121.223 0.207 0.000 2.354 394 L HA 0.424 4.762 4.340 -0.003 0.000 0.269 394 L C -0.476 176.560 176.870 0.275 0.000 1.005 394 L CA -1.174 53.813 54.840 0.245 0.000 0.819 394 L CB 1.758 43.980 42.059 0.273 0.000 1.311 394 L HN 0.548 nan 8.230 nan 0.000 0.423 395 N N 0.592 119.444 118.700 0.254 0.000 2.370 395 N HA 0.279 5.017 4.740 -0.003 0.000 0.303 395 N C -1.351 174.317 175.510 0.262 0.000 1.103 395 N CA -0.481 52.703 53.050 0.223 0.000 0.848 395 N CB 2.500 41.050 38.487 0.104 0.000 1.235 395 N HN 0.576 nan 8.380 nan 0.000 0.496 396 W N 2.321 123.622 121.300 0.002 0.000 2.322 396 W HA 0.144 4.802 4.660 -0.003 0.000 0.307 396 W C -0.647 175.805 176.519 -0.111 0.000 1.220 396 W CA -0.120 57.101 57.345 -0.207 0.000 1.210 396 W CB 0.687 29.978 29.460 -0.282 0.000 1.223 396 W HN 0.401 nan 8.180 nan 0.000 0.511 397 D N 4.579 124.540 120.400 -0.731 0.000 2.329 397 D HA 0.035 4.673 4.640 -0.003 0.000 0.232 397 D C 1.133 176.970 176.300 -0.772 0.000 1.088 397 D CA -0.048 53.624 54.000 -0.546 0.000 0.835 397 D CB 1.469 42.013 40.800 -0.426 0.000 1.078 397 D HN 0.450 nan 8.370 nan 0.000 0.495 398 T N -0.066 114.227 114.554 -0.436 0.000 3.148 398 T HA -0.055 4.293 4.350 -0.003 0.000 0.253 398 T C 1.589 175.944 174.700 -0.575 0.000 1.134 398 T CA 0.442 62.331 62.100 -0.351 0.000 1.051 398 T CB 0.240 69.107 68.868 -0.001 0.000 0.959 398 T HN 0.214 nan 8.240 nan 0.000 0.525 399 S N 1.674 117.096 115.700 -0.464 0.000 2.421 399 S HA 0.117 4.585 4.470 -0.003 0.000 0.224 399 S C 1.818 176.163 174.600 -0.425 0.000 1.035 399 S CA 0.401 58.379 58.200 -0.369 0.000 0.953 399 S CB -0.402 62.677 63.200 -0.203 0.000 0.810 399 S HN 0.758 nan 8.310 nan 0.000 0.497 400 I N -2.769 117.537 120.570 -0.439 0.000 4.057 400 I HA 0.396 4.564 4.170 -0.003 0.000 0.334 400 I C -0.546 175.439 176.117 -0.220 0.000 1.308 400 I CA -0.305 60.855 61.300 -0.233 0.000 1.125 400 I CB -0.365 37.566 38.000 -0.114 0.000 1.034 400 I HN 0.137 nan 8.210 nan 0.000 0.401 401 H N 1.828 120.720 119.070 -0.297 0.000 2.841 401 H HA -0.023 4.532 4.556 -0.003 0.000 0.334 401 H C -0.054 174.837 175.328 -0.729 0.000 1.119 401 H CA 0.643 56.438 56.048 -0.422 0.000 1.109 401 H CB -1.362 28.539 29.762 0.232 0.000 1.614 401 H HN 0.751 nan 8.280 nan 0.000 0.397 402 A N 1.314 123.318 122.820 -1.361 0.000 2.608 402 A HA 0.599 4.917 4.320 -0.003 0.000 0.292 402 A C -0.850 176.299 177.584 -0.725 0.000 1.066 402 A CA -0.909 50.712 52.037 -0.693 0.000 0.676 402 A CB 1.037 19.959 19.000 -0.129 0.000 1.277 402 A HN 0.090 nan 8.150 nan 0.000 0.413 403 F N 0.899 120.872 119.950 0.038 0.000 2.456 403 F HA 0.457 4.982 4.527 -0.003 0.000 0.358 403 F C 0.897 176.712 175.800 0.024 0.000 1.095 403 F CA 0.357 58.440 58.000 0.139 0.000 1.216 403 F CB 1.390 40.554 39.000 0.273 0.000 1.125 403 F HN 0.542 nan 8.300 nan 0.000 0.549 404 V N 1.359 121.361 119.914 0.146 0.000 2.960 404 V HA 0.723 4.841 4.120 -0.003 0.000 0.315 404 V C -2.846 173.253 176.094 0.009 0.000 1.087 404 V CA -3.228 59.088 62.300 0.027 0.000 0.982 404 V CB 1.829 33.621 31.823 -0.052 0.000 1.039 404 V HN 0.391 nan 8.190 nan 0.000 0.437 405 P HA 0.434 nan 4.420 nan 0.000 0.271 405 P C 0.015 177.244 177.300 -0.119 0.000 1.218 405 P CA 0.303 63.230 63.100 -0.289 0.000 0.780 405 P CB 0.993 32.204 31.700 -0.815 0.000 0.901 406 A N 2.529 125.356 122.820 0.012 0.000 3.754 406 A HA 0.209 4.527 4.320 -0.003 0.000 0.165 406 A C 0.118 177.723 177.584 0.034 0.000 1.775 406 A CA 0.141 52.204 52.037 0.044 0.000 1.457 406 A CB -0.875 18.181 19.000 0.094 0.000 1.597 406 A HN 0.435 nan 8.150 nan 0.000 0.658 407 D N 0.677 121.117 120.400 0.068 0.000 2.414 407 D HA 0.434 5.072 4.640 -0.003 0.000 0.242 407 D C 0.410 176.783 176.300 0.120 0.000 1.129 407 D CA 0.874 54.905 54.000 0.052 0.000 0.885 407 D CB 0.826 41.650 40.800 0.039 0.000 1.198 407 D HN 0.624 nan 8.370 nan 0.000 0.437 408 A N 2.087 124.939 122.820 0.053 0.000 2.520 408 A HA 0.159 4.477 4.320 -0.003 0.000 0.235 408 A C 0.522 178.139 177.584 0.055 0.000 1.065 408 A CA -0.409 51.670 52.037 0.070 0.000 0.764 408 A CB 0.298 19.267 19.000 -0.052 0.000 1.002 408 A HN 0.399 nan 8.150 nan 0.000 0.502 409 V N 1.573 121.519 119.914 0.054 0.000 2.999 409 V HA 0.258 4.376 4.120 -0.003 0.000 0.307 409 V C 1.357 177.422 176.094 -0.048 0.000 1.084 409 V CA 0.261 62.543 62.300 -0.030 0.000 1.155 409 V CB 0.495 32.276 31.823 -0.071 0.000 0.975 409 V HN 1.242 nan 8.190 nan 0.000 0.490 410 A N 4.358 127.152 122.820 -0.044 0.000 2.567 410 A HA 0.137 4.455 4.320 -0.003 0.000 0.240 410 A C 1.075 178.629 177.584 -0.050 0.000 1.053 410 A CA 0.379 52.389 52.037 -0.045 0.000 0.755 410 A CB -0.590 18.396 19.000 -0.023 0.000 0.978 410 A HN 1.148 nan 8.150 nan 0.000 0.507 411 N N 0.122 118.776 118.700 -0.076 0.000 2.776 411 N HA -0.144 4.594 4.740 -0.003 0.000 0.250 411 N C -0.238 175.235 175.510 -0.062 0.000 1.112 411 N CA 1.743 54.766 53.050 -0.044 0.000 0.733 411 N CB -1.214 37.285 38.487 0.021 0.000 1.097 411 N HN 0.903 nan 8.380 nan 0.000 0.558 412 Q N -0.735 118.956 119.800 -0.182 0.000 2.496 412 Q HA 0.654 4.992 4.340 -0.003 0.000 0.286 412 Q C -0.919 174.860 176.000 -0.368 0.000 1.103 412 Q CA -0.578 55.152 55.803 -0.122 0.000 0.813 412 Q CB 1.883 30.604 28.738 -0.028 0.000 1.444 412 Q HN 0.334 nan 8.270 nan 0.000 0.443 413 H N -0.769 118.297 119.070 -0.006 0.000 3.012 413 H HA 0.586 5.140 4.556 -0.003 0.000 0.367 413 H C -1.354 173.952 175.328 -0.036 0.000 1.211 413 H CA -0.555 55.483 56.048 -0.018 0.000 1.139 413 H CB 1.503 31.253 29.762 -0.019 0.000 1.838 413 H HN 0.299 nan 8.280 nan 0.000 0.550 414 L N 1.407 122.665 121.223 0.059 0.000 2.410 414 L HA 0.882 5.221 4.340 -0.003 0.000 0.270 414 L C -0.655 176.200 176.870 -0.025 0.000 0.983 414 L CA -0.806 54.020 54.840 -0.022 0.000 0.822 414 L CB 1.927 43.933 42.059 -0.089 0.000 1.285 414 L HN 0.737 nan 8.230 nan 0.000 0.409 415 A N 1.801 124.596 122.820 -0.042 0.000 2.556 415 A HA 0.975 5.293 4.320 -0.003 0.000 0.294 415 A C 0.007 177.553 177.584 -0.063 0.000 1.091 415 A CA -0.057 51.952 52.037 -0.046 0.000 0.704 415 A CB 1.631 20.609 19.000 -0.036 0.000 1.300 415 A HN 1.136 nan 8.150 nan 0.000 0.406 416 G N -0.409 108.351 108.800 -0.066 0.000 2.642 416 G HA2 0.255 4.213 3.960 -0.003 0.000 0.231 416 G HA3 0.255 4.213 3.960 -0.003 0.000 0.231 416 G C 1.181 176.029 174.900 -0.087 0.000 1.338 416 G CA 0.869 45.923 45.100 -0.077 0.000 0.883 416 G HN 2.285 nan 8.290 nan 0.000 0.570 417 A N -1.182 121.581 122.820 -0.095 0.000 1.997 417 A HA -0.006 4.312 4.320 -0.003 0.000 0.221 417 A C 2.619 180.156 177.584 -0.078 0.000 1.172 417 A CA 2.939 54.916 52.037 -0.099 0.000 0.645 417 A CB -0.396 18.535 19.000 -0.116 0.000 0.813 417 A HN 2.020 nan 8.150 nan 0.000 0.454 418 L N 0.632 121.807 121.223 -0.080 0.000 2.089 418 L HA -0.177 4.162 4.340 -0.003 0.000 0.213 418 L C 2.479 179.294 176.870 -0.091 0.000 1.079 418 L CA 2.978 57.767 54.840 -0.084 0.000 0.758 418 L CB -1.028 40.970 42.059 -0.102 0.000 0.891 418 L HN 0.577 nan 8.230 nan 0.000 0.433 419 T N -4.005 110.494 114.554 -0.092 0.000 3.148 419 T HA 0.380 4.728 4.350 -0.003 0.000 0.253 419 T C 1.428 176.075 174.700 -0.088 0.000 1.134 419 T CA 0.418 62.461 62.100 -0.096 0.000 1.051 419 T CB -0.142 68.675 68.868 -0.085 0.000 0.959 419 T HN 0.721 nan 8.240 nan 0.000 0.525 420 G N 1.047 109.798 108.800 -0.082 0.000 2.213 420 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.236 420 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.236 420 G C -0.088 174.755 174.900 -0.095 0.000 0.991 420 G CA -0.125 44.922 45.100 -0.088 0.000 0.629 420 G HN 0.601 nan 8.290 nan 0.000 0.517 421 L N 1.291 122.457 121.223 -0.095 0.000 2.265 421 L HA 0.534 4.873 4.340 -0.003 0.000 0.288 421 L C 1.325 178.124 176.870 -0.119 0.000 1.058 421 L CA -0.544 54.236 54.840 -0.100 0.000 0.809 421 L CB 1.164 43.169 42.059 -0.089 0.000 1.179 421 L HN 0.067 nan 8.230 nan 0.000 0.429 422 L N 2.448 123.589 121.223 -0.138 0.000 2.857 422 L HA 0.185 4.523 4.340 -0.003 0.000 0.249 422 L C 0.211 176.972 176.870 -0.182 0.000 1.172 422 L CA -0.154 54.571 54.840 -0.193 0.000 0.980 422 L CB -0.143 41.760 42.059 -0.259 0.000 1.299 422 L HN 0.677 nan 8.230 nan 0.000 0.535 423 D N -1.993 118.324 120.400 -0.139 0.000 2.326 423 D HA 0.156 4.794 4.640 -0.003 0.000 0.248 423 D C 0.423 176.647 176.300 -0.126 0.000 1.001 423 D CA -0.425 53.500 54.000 -0.125 0.000 0.961 423 D CB 1.843 42.582 40.800 -0.102 0.000 1.183 423 D HN -0.251 nan 8.370 nan 0.000 0.502 424 T N 0.507 114.984 114.554 -0.129 0.000 2.857 424 T HA -0.003 4.346 4.350 -0.003 0.000 0.266 424 T C 1.880 176.489 174.700 -0.153 0.000 1.048 424 T CA 1.393 63.406 62.100 -0.146 0.000 1.139 424 T CB -0.234 68.539 68.868 -0.159 0.000 0.874 424 T HN 0.625 nan 8.240 nan 0.000 0.455 425 A N 1.450 124.188 122.820 -0.136 0.000 1.902 425 A HA -0.095 4.223 4.320 -0.003 0.000 0.217 425 A C 2.579 180.097 177.584 -0.110 0.000 1.181 425 A CA 1.895 53.855 52.037 -0.129 0.000 0.623 425 A CB -0.832 18.105 19.000 -0.105 0.000 0.818 425 A HN 0.433 nan 8.150 nan 0.000 0.443 426 S N -0.196 115.444 115.700 -0.100 0.000 2.383 426 S HA 0.004 4.472 4.470 -0.003 0.000 0.227 426 S C 2.288 176.836 174.600 -0.087 0.000 1.026 426 S CA 1.031 59.179 58.200 -0.087 0.000 0.981 426 S CB -0.438 62.710 63.200 -0.086 0.000 0.818 426 S HN 0.796 nan 8.310 nan 0.000 0.472 427 A N 1.681 124.441 122.820 -0.101 0.000 1.883 427 A HA -0.066 4.252 4.320 -0.003 0.000 0.217 427 A C 2.111 179.645 177.584 -0.084 0.000 1.186 427 A CA 1.308 53.289 52.037 -0.093 0.000 0.624 427 A CB -0.797 18.140 19.000 -0.104 0.000 0.822 427 A HN 0.457 nan 8.150 nan 0.000 0.444 428 L N -0.794 120.362 121.223 -0.112 0.000 2.093 428 L HA -0.139 4.199 4.340 -0.003 0.000 0.208 428 L C 2.954 179.784 176.870 -0.066 0.000 1.085 428 L CA 1.519 56.294 54.840 -0.109 0.000 0.755 428 L CB -0.379 41.560 42.059 -0.199 0.000 0.904 428 L HN 0.540 nan 8.230 nan 0.000 0.435 429 S N -0.561 115.096 115.700 -0.071 0.000 2.357 429 S HA -0.161 4.307 4.470 -0.003 0.000 0.221 429 S C 2.136 176.712 174.600 -0.039 0.000 1.031 429 S CA 1.730 59.900 58.200 -0.050 0.000 0.982 429 S CB -0.303 62.864 63.200 -0.055 0.000 0.853 429 S HN 0.589 nan 8.310 nan 0.000 0.458 430 T N -1.083 113.444 114.554 -0.044 0.000 2.867 430 T HA 0.096 4.444 4.350 -0.003 0.000 0.268 430 T C 1.989 176.670 174.700 -0.031 0.000 1.057 430 T CA 1.330 63.410 62.100 -0.035 0.000 1.136 430 T CB -1.266 67.578 68.868 -0.041 0.000 0.874 430 T HN 0.406 nan 8.240 nan 0.000 0.466 431 G N 1.520 110.300 108.800 -0.033 0.000 2.421 431 G HA2 0.018 3.976 3.960 -0.003 0.000 0.216 431 G HA3 0.018 3.976 3.960 -0.003 0.000 0.216 431 G C 1.932 176.819 174.900 -0.022 0.000 1.171 431 G CA 0.900 45.985 45.100 -0.025 0.000 0.775 431 G HN 0.728 nan 8.290 nan 0.000 0.543 432 A N 1.115 123.929 122.820 -0.011 0.000 1.902 432 A HA 0.256 4.574 4.320 -0.003 0.000 0.217 432 A C 2.818 180.387 177.584 -0.025 0.000 1.181 432 A CA 2.380 54.413 52.037 -0.007 0.000 0.623 432 A CB -0.803 18.201 19.000 0.006 0.000 0.818 432 A HN 0.800 nan 8.150 nan 0.000 0.443 433 A N -0.322 122.483 122.820 -0.025 0.000 1.898 433 A HA -0.074 4.244 4.320 -0.003 0.000 0.216 433 A C 2.448 180.006 177.584 -0.042 0.000 1.181 433 A CA 2.486 54.508 52.037 -0.025 0.000 0.620 433 A CB -1.373 17.618 19.000 -0.014 0.000 0.819 433 A HN 0.742 nan 8.150 nan 0.000 0.442 434 T N -2.629 111.896 114.554 -0.047 0.000 2.821 434 T HA 0.042 4.390 4.350 -0.003 0.000 0.267 434 T C 1.915 176.479 174.700 -0.228 0.000 1.046 434 T CA 1.494 63.535 62.100 -0.098 0.000 1.139 434 T CB -0.894 67.959 68.868 -0.025 0.000 0.871 434 T HN 0.400 nan 8.240 nan 0.000 0.454 435 G N 1.466 110.181 108.800 -0.141 0.000 2.421 435 G HA2 0.027 3.986 3.960 -0.003 0.000 0.216 435 G HA3 0.027 3.986 3.960 -0.003 0.000 0.216 435 G C 1.926 176.748 174.900 -0.129 0.000 1.171 435 G CA 0.855 45.872 45.100 -0.138 0.000 0.775 435 G HN 0.735 nan 8.290 nan 0.000 0.543 436 A N 0.998 123.764 122.820 -0.089 0.000 1.930 436 A HA 0.323 4.642 4.320 -0.003 0.000 0.217 436 A C 2.774 180.316 177.584 -0.070 0.000 1.175 436 A CA 2.145 54.148 52.037 -0.057 0.000 0.627 436 A CB -0.644 18.338 19.000 -0.029 0.000 0.815 436 A HN 0.749 nan 8.150 nan 0.000 0.443 437 A N -0.236 122.514 122.820 -0.116 0.000 1.929 437 A HA 0.251 4.569 4.320 -0.003 0.000 0.216 437 A C 2.468 179.937 177.584 -0.191 0.000 1.176 437 A CA 1.802 53.778 52.037 -0.103 0.000 0.628 437 A CB -0.877 18.100 19.000 -0.038 0.000 0.816 437 A HN 0.939 nan 8.150 nan 0.000 0.444 438 A N 0.057 122.594 122.820 -0.472 0.000 1.873 438 A HA 0.193 4.512 4.320 -0.003 0.000 0.215 438 A C 2.530 180.066 177.584 -0.079 0.000 1.186 438 A CA 2.036 53.836 52.037 -0.395 0.000 0.616 438 A CB -1.146 17.593 19.000 -0.434 0.000 0.823 438 A HN 1.029 nan 8.150 nan 0.000 0.442 439 A N -0.074 122.708 122.820 -0.064 0.000 1.873 439 A HA -0.166 4.152 4.320 -0.003 0.000 0.218 439 A C 2.462 180.114 177.584 0.114 0.000 1.193 439 A CA 2.481 54.544 52.037 0.044 0.000 0.629 439 A CB -1.164 17.847 19.000 0.019 0.000 0.826 439 A HN 0.515 nan 8.150 nan 0.000 0.447 440 S N 0.087 115.822 115.700 0.058 0.000 2.370 440 S HA -0.090 4.378 4.470 -0.003 0.000 0.226 440 S C 2.211 176.848 174.600 0.062 0.000 1.033 440 S CA 1.337 59.572 58.200 0.058 0.000 1.011 440 S CB -0.570 62.649 63.200 0.032 0.000 0.852 440 S HN 0.868 nan 8.310 nan 0.000 0.457 441 A N 0.973 123.836 122.820 0.073 0.000 2.067 441 A HA 0.329 4.647 4.320 -0.003 0.000 0.219 441 A C 2.063 179.703 177.584 0.095 0.000 1.158 441 A CA 1.265 53.355 52.037 0.089 0.000 0.661 441 A CB -0.592 18.493 19.000 0.142 0.000 0.801 441 A HN 0.513 nan 8.150 nan 0.000 0.452 442 A N -1.935 120.962 122.820 0.128 0.000 2.251 442 A HA 0.446 4.764 4.320 -0.003 0.000 0.209 442 A C 1.545 179.222 177.584 0.154 0.000 1.187 442 A CA 1.082 53.219 52.037 0.167 0.000 0.823 442 A CB -0.586 18.543 19.000 0.215 0.000 0.846 442 A HN 1.729 nan 8.150 nan 0.000 0.486 443 G N -2.131 106.700 108.800 0.052 0.000 2.154 443 G HA2 -0.169 3.789 3.960 -0.003 0.000 0.186 443 G HA3 -0.169 3.789 3.960 -0.003 0.000 0.186 443 G C -0.197 174.446 174.900 -0.428 0.000 1.000 443 G CA -0.161 44.828 45.100 -0.186 0.000 0.664 443 G HN 0.358 nan 8.290 nan 0.000 0.513 444 F N 1.954 121.904 119.950 0.001 0.000 2.451 444 F HA 0.440 4.966 4.527 -0.003 0.000 0.367 444 F C 0.554 176.348 175.800 -0.010 0.000 1.100 444 F CA -0.980 57.018 58.000 -0.005 0.000 1.171 444 F CB 1.258 40.254 39.000 -0.007 0.000 1.405 444 F HN 0.154 nan 8.300 nan 0.000 0.482 445 E N 3.282 123.524 120.200 0.071 0.000 2.452 445 E HA 0.080 4.428 4.350 -0.003 0.000 0.261 445 E C -0.562 176.074 176.600 0.060 0.000 0.987 445 E CA 0.308 56.737 56.400 0.047 0.000 0.926 445 E CB 0.779 30.486 29.700 0.012 0.000 0.934 445 E HN 0.394 nan 8.360 nan 0.000 0.452 446 K N 4.180 124.604 120.400 0.040 0.000 2.542 446 K HA 0.334 4.652 4.320 -0.003 0.000 0.259 446 K C -1.717 174.890 176.600 0.012 0.000 0.932 446 K CA -0.652 55.651 56.287 0.027 0.000 0.820 446 K CB 0.998 33.511 32.500 0.023 0.000 1.345 446 K HN 0.298 nan 8.250 nan 0.000 0.432 447 I N 3.139 123.714 120.570 0.008 0.000 2.339 447 I HA 0.465 4.633 4.170 -0.003 0.000 0.290 447 I C 0.276 176.393 176.117 0.000 0.000 0.994 447 I CA -1.122 60.180 61.300 0.003 0.000 1.191 447 I CB 0.770 38.773 38.000 0.004 0.000 1.343 447 I HN 0.803 nan 8.210 nan 0.000 0.458 448 A N 5.915 128.733 122.820 -0.004 0.000 2.511 448 A HA 0.207 4.525 4.320 -0.003 0.000 0.242 448 A C 0.380 177.965 177.584 0.000 0.000 1.069 448 A CA -0.044 51.990 52.037 -0.005 0.000 0.763 448 A CB 0.074 19.069 19.000 -0.009 0.000 1.001 448 A HN 0.801 nan 8.150 nan 0.000 0.498 449 E N 2.205 122.409 120.200 0.006 0.000 2.187 449 E HA 0.528 4.876 4.350 -0.003 0.000 0.268 449 E C -1.594 175.018 176.600 0.020 0.000 0.896 449 E CA -0.675 55.732 56.400 0.012 0.000 0.766 449 E CB 1.568 31.278 29.700 0.016 0.000 1.142 449 E HN 0.351 nan 8.360 nan 0.000 0.408 450 V N 6.080 126.000 119.914 0.011 0.000 2.350 450 V HA 0.324 4.443 4.120 -0.003 0.000 0.276 450 V C -2.122 173.973 176.094 0.001 0.000 1.028 450 V CA -1.797 60.504 62.300 0.002 0.000 0.860 450 V CB 0.926 32.738 31.823 -0.018 0.000 0.990 450 V HN 0.760 nan 8.190 nan 0.000 0.453 451 P HA 0.191 nan 4.420 nan 0.000 0.269 451 P C -0.695 176.531 177.300 -0.124 0.000 1.209 451 P CA -0.214 62.867 63.100 -0.032 0.000 0.776 451 P CB 0.451 32.118 31.700 -0.056 0.000 0.876 452 Q N 0.845 120.559 119.800 -0.144 0.000 2.312 452 Q HA 0.737 5.075 4.340 -0.003 0.000 0.263 452 Q C -0.776 175.118 176.000 -0.177 0.000 0.995 452 Q CA -0.594 55.132 55.803 -0.128 0.000 0.853 452 Q CB 2.661 31.352 28.738 -0.078 0.000 1.300 452 Q HN 0.487 nan 8.270 nan 0.000 0.448 453 A N 2.561 125.289 122.820 -0.154 0.000 2.475 453 A HA 0.638 4.956 4.320 -0.003 0.000 0.301 453 A C -0.601 176.917 177.584 -0.109 0.000 1.059 453 A CA -0.725 51.220 52.037 -0.155 0.000 0.710 453 A CB 0.981 19.870 19.000 -0.185 0.000 1.288 453 A HN 0.686 nan 8.150 nan 0.000 0.408 454 L N 1.425 122.591 121.223 -0.094 0.000 2.506 454 L HA 0.261 4.599 4.340 -0.003 0.000 0.281 454 L C 1.228 178.053 176.870 -0.075 0.000 1.228 454 L CA -0.020 54.776 54.840 -0.074 0.000 0.850 454 L CB 0.310 42.331 42.059 -0.063 0.000 1.110 454 L HN 0.854 nan 8.230 nan 0.000 0.496 455 A N 3.150 125.932 122.820 -0.064 0.000 2.488 455 A HA 0.420 4.738 4.320 -0.003 0.000 0.249 455 A C -0.152 177.397 177.584 -0.059 0.000 1.083 455 A CA -0.213 51.788 52.037 -0.061 0.000 0.768 455 A CB 0.229 19.198 19.000 -0.052 0.000 1.017 455 A HN 0.447 nan 8.150 nan 0.000 0.496 456 V N 6.174 126.051 119.914 -0.062 0.000 2.380 456 V HA 0.237 4.355 4.120 -0.003 0.000 0.268 456 V C -2.239 173.823 176.094 -0.054 0.000 1.008 456 V CA -1.005 61.262 62.300 -0.056 0.000 0.823 456 V CB 0.768 32.556 31.823 -0.059 0.000 1.053 456 V HN 0.873 nan 8.190 nan 0.000 0.446 457 P HA 0.396 nan 4.420 nan 0.000 0.272 457 P C 0.085 177.360 177.300 -0.042 0.000 1.223 457 P CA -0.048 63.024 63.100 -0.046 0.000 0.784 457 P CB 0.696 32.371 31.700 -0.041 0.000 0.923 458 A N 1.481 124.275 122.820 -0.043 0.000 2.466 458 A HA 0.529 4.847 4.320 -0.003 0.000 0.238 458 A C 0.688 178.258 177.584 -0.024 0.000 1.074 458 A CA 0.634 52.649 52.037 -0.036 0.000 0.774 458 A CB -0.408 18.564 19.000 -0.046 0.000 1.015 458 A HN 0.634 nan 8.150 nan 0.000 0.498 459 G N -0.291 108.504 108.800 -0.008 0.000 2.685 459 G HA2 0.523 4.481 3.960 -0.003 0.000 0.298 459 G HA3 0.523 4.481 3.960 -0.003 0.000 0.298 459 G C -0.423 174.486 174.900 0.014 0.000 1.277 459 G CA -0.517 44.583 45.100 0.001 0.000 0.986 459 G HN 0.931 nan 8.290 nan 0.000 0.487 460 E N -0.776 119.437 120.200 0.023 0.000 2.467 460 E HA 0.220 4.569 4.350 -0.003 0.000 0.264 460 E C -0.623 176.017 176.600 0.067 0.000 1.020 460 E CA 0.444 56.870 56.400 0.043 0.000 0.945 460 E CB 0.384 30.108 29.700 0.041 0.000 0.942 460 E HN 0.203 nan 8.360 nan 0.000 0.449 461 T N 4.513 119.129 114.554 0.103 0.000 2.840 461 T HA 0.272 4.620 4.350 -0.003 0.000 0.287 461 T C -0.444 174.343 174.700 0.145 0.000 0.991 461 T CA -0.591 61.587 62.100 0.131 0.000 0.964 461 T CB 0.981 69.950 68.868 0.168 0.000 0.954 461 T HN 0.428 nan 8.240 nan 0.000 0.438 462 R N 4.341 124.852 120.500 0.019 0.000 2.297 462 R HA 0.402 4.740 4.340 -0.003 0.000 0.308 462 R C -2.558 173.569 176.300 -0.288 0.000 1.029 462 R CA -1.904 54.135 56.100 -0.101 0.000 0.929 462 R CB 0.655 30.902 30.300 -0.089 0.000 1.046 462 R HN 0.270 nan 8.270 nan 0.000 0.461 463 P HA 0.088 nan 4.420 nan 0.000 0.282 463 P C -1.061 175.750 177.300 -0.816 0.000 1.274 463 P CA -0.223 62.349 63.100 -0.880 0.000 0.770 463 P CB 1.325 32.504 31.700 -0.868 0.000 0.867 464 V N 4.939 124.335 119.914 -0.862 0.000 2.327 464 V HA 0.193 4.311 4.120 -0.003 0.000 0.272 464 V C 0.460 176.319 176.094 -0.391 0.000 1.019 464 V CA -0.235 61.781 62.300 -0.473 0.000 0.814 464 V CB 0.618 32.313 31.823 -0.213 0.000 1.040 464 V HN 0.612 nan 8.190 nan 0.000 0.440 465 W N 3.541 124.885 121.300 0.074 0.000 2.737 465 W HA 0.370 5.028 4.660 -0.003 0.000 0.262 465 W C 0.276 176.860 176.519 0.109 0.000 1.282 465 W CA -0.168 57.231 57.345 0.089 0.000 1.386 465 W CB 0.654 30.147 29.460 0.054 0.000 1.099 465 W HN 0.440 nan 8.180 nan 0.000 0.621 466 L N 0.274 121.677 121.223 0.299 0.000 2.753 466 L HA 0.350 4.688 4.340 -0.003 0.000 0.259 466 L C -0.851 176.176 176.870 0.262 0.000 0.958 466 L CA -0.952 54.056 54.840 0.280 0.000 0.955 466 L CB 0.580 42.759 42.059 0.199 0.000 1.317 466 L HN -0.305 nan 8.230 nan 0.000 0.436 467 V N 6.853 126.965 119.914 0.330 0.000 2.508 467 V HA 0.336 4.454 4.120 -0.003 0.000 0.281 467 V C -1.760 174.604 176.094 0.450 0.000 1.041 467 V CA -1.098 61.385 62.300 0.305 0.000 1.016 467 V CB 0.689 32.671 31.823 0.265 0.000 0.984 467 V HN 0.659 nan 8.190 nan 0.000 0.478 468 P HA 0.024 nan 4.420 nan 0.000 0.269 468 P C -0.089 177.438 177.300 0.378 0.000 1.217 468 P CA 0.190 63.527 63.100 0.395 0.000 0.783 468 P CB 0.420 32.253 31.700 0.221 0.000 0.898 469 S N 1.283 117.121 115.700 0.231 0.000 2.549 469 S HA 0.113 4.581 4.470 -0.003 0.000 0.279 469 S C 1.333 175.946 174.600 0.021 0.000 1.321 469 S CA -0.424 57.790 58.200 0.022 0.000 1.054 469 S CB -0.418 62.552 63.200 -0.383 0.000 0.899 469 S HN 0.294 nan 8.310 nan 0.000 0.497 470 L N 4.234 125.474 121.223 0.029 0.000 2.450 470 L HA -0.025 4.313 4.340 -0.003 0.000 0.224 470 L C 2.074 178.904 176.870 -0.067 0.000 1.149 470 L CA 0.674 55.514 54.840 0.001 0.000 0.816 470 L CB -0.257 41.813 42.059 0.019 0.000 0.932 470 L HN 0.587 nan 8.230 nan 0.000 0.449 471 S N -1.082 114.525 115.700 -0.156 0.000 2.517 471 S HA 0.409 4.878 4.470 -0.003 0.000 0.214 471 S C 0.699 174.916 174.600 -0.638 0.000 0.991 471 S CA 0.476 58.485 58.200 -0.319 0.000 0.906 471 S CB 0.735 63.774 63.200 -0.269 0.000 0.789 471 S HN 0.597 nan 8.310 nan 0.000 0.513 472 G N 0.745 109.261 108.800 -0.473 0.000 2.357 472 G HA2 0.106 4.064 3.960 -0.003 0.000 0.289 472 G HA3 0.106 4.064 3.960 -0.003 0.000 0.289 472 G C -1.348 173.549 174.900 -0.006 0.000 1.302 472 G CA -0.428 44.478 45.100 -0.323 0.000 0.936 472 G HN 0.016 nan 8.290 nan 0.000 0.513 473 D N 0.198 120.691 120.400 0.156 0.000 2.417 473 D HA 0.152 4.790 4.640 -0.003 0.000 0.207 473 D C 0.688 177.180 176.300 0.319 0.000 1.075 473 D CA 0.673 54.830 54.000 0.263 0.000 0.851 473 D CB 0.316 41.187 40.800 0.119 0.000 0.976 473 D HN 0.571 nan 8.370 nan 0.000 0.505 474 D N -0.293 120.323 120.400 0.359 0.000 2.387 474 D HA 0.236 4.875 4.640 -0.003 0.000 0.251 474 D C 1.185 177.656 176.300 0.284 0.000 1.141 474 D CA -0.495 53.647 54.000 0.236 0.000 0.987 474 D CB 1.521 42.410 40.800 0.149 0.000 1.116 474 D HN -0.112 nan 8.370 nan 0.000 0.491 475 A N 0.760 123.647 122.820 0.113 0.000 1.940 475 A HA -0.157 4.161 4.320 -0.003 0.000 0.219 475 A C 2.216 179.830 177.584 0.050 0.000 1.176 475 A CA 1.559 53.649 52.037 0.090 0.000 0.631 475 A CB -0.973 18.016 19.000 -0.018 0.000 0.814 475 A HN 0.434 nan 8.150 nan 0.000 0.446 476 V N -0.004 119.838 119.914 -0.119 0.000 2.568 476 V HA -0.212 3.906 4.120 -0.003 0.000 0.253 476 V C 1.930 177.836 176.094 -0.313 0.000 1.072 476 V CA 2.082 64.224 62.300 -0.264 0.000 1.084 476 V CB -0.979 30.632 31.823 -0.352 0.000 0.676 476 V HN 0.718 nan 8.190 nan 0.000 0.469 477 H N -2.085 116.928 119.070 -0.094 0.000 2.547 477 H HA 0.076 4.630 4.556 -0.003 0.000 0.266 477 H C 0.796 175.748 175.328 -0.627 0.000 0.988 477 H CA 0.627 56.503 56.048 -0.287 0.000 1.147 477 H CB 0.054 29.624 29.762 -0.320 0.000 1.365 477 H HN 0.600 nan 8.280 nan 0.000 0.589 478 Y N -0.122 120.104 120.300 -0.123 0.000 2.584 478 Y HA 0.189 4.737 4.550 -0.003 0.000 0.254 478 Y C 1.722 177.480 175.900 -0.237 0.000 1.177 478 Y CA -0.272 57.670 58.100 -0.262 0.000 1.216 478 Y CB 0.563 38.795 38.460 -0.379 0.000 1.172 478 Y HN -0.081 nan 8.280 nan 0.000 0.529 479 K N -0.235 119.967 120.400 -0.331 0.000 2.439 479 K HA 0.026 4.344 4.320 -0.003 0.000 0.197 479 K C -0.183 175.818 176.600 -0.998 0.000 1.041 479 K CA 0.972 56.858 56.287 -0.670 0.000 0.970 479 K CB 0.034 31.981 32.500 -0.922 0.000 0.773 479 K HN 0.250 nan 8.250 nan 0.000 0.479 480 F N -0.974 118.895 119.950 -0.134 0.000 2.698 480 F HA 0.176 4.701 4.527 -0.003 0.000 0.304 480 F C -0.219 175.458 175.800 -0.205 0.000 1.108 480 F CA -0.732 57.140 58.000 -0.214 0.000 1.263 480 F CB -0.006 39.027 39.000 0.055 0.000 1.013 480 F HN -0.118 nan 8.300 nan 0.000 0.532 481 H N 0.527 119.469 119.070 -0.215 0.000 3.014 481 H HA 0.247 4.801 4.556 -0.003 0.000 0.266 481 H C -0.499 174.710 175.328 -0.198 0.000 1.455 481 H CA -0.894 55.111 56.048 -0.073 0.000 1.402 481 H CB -0.578 29.252 29.762 0.113 0.000 1.626 481 H HN -0.049 nan 8.280 nan 0.000 0.520 482 F N 1.601 121.575 119.950 0.040 0.000 2.504 482 F HA 0.029 4.554 4.527 -0.003 0.000 0.369 482 F C 1.203 177.011 175.800 0.013 0.000 1.082 482 F CA -0.123 57.883 58.000 0.011 0.000 1.216 482 F CB 0.758 39.728 39.000 -0.050 0.000 1.108 482 F HN 0.278 nan 8.300 nan 0.000 0.554 483 V N 0.477 120.494 119.914 0.172 0.000 2.788 483 V HA 0.012 4.130 4.120 -0.003 0.000 0.241 483 V C 0.144 176.310 176.094 0.119 0.000 1.083 483 V CA 0.869 63.250 62.300 0.135 0.000 1.103 483 V CB 0.092 31.974 31.823 0.099 0.000 0.800 483 V HN 0.678 nan 8.190 nan 0.000 0.476 484 D N 0.014 120.493 120.400 0.132 0.000 2.420 484 D HA 0.297 4.936 4.640 -0.003 0.000 0.255 484 D C 0.778 177.130 176.300 0.086 0.000 1.185 484 D CA -0.159 53.893 54.000 0.086 0.000 0.904 484 D CB 1.575 42.423 40.800 0.079 0.000 1.102 484 D HN 0.064 nan 8.370 nan 0.000 0.534 485 L N 2.470 123.670 121.223 -0.038 0.000 2.012 485 L HA -0.185 4.153 4.340 -0.003 0.000 0.210 485 L C 2.559 179.361 176.870 -0.115 0.000 1.073 485 L CA 1.279 56.023 54.840 -0.160 0.000 0.748 485 L CB -0.221 41.603 42.059 -0.392 0.000 0.891 485 L HN 0.467 nan 8.230 nan 0.000 0.431 486 Q N -0.174 119.574 119.800 -0.088 0.000 2.079 486 Q HA -0.164 4.175 4.340 -0.003 0.000 0.200 486 Q C 2.026 178.024 176.000 -0.003 0.000 0.974 486 Q CA 1.125 56.887 55.803 -0.068 0.000 0.840 486 Q CB 0.175 28.880 28.738 -0.055 0.000 0.898 486 Q HN 0.293 nan 8.270 nan 0.000 0.430 487 R N 0.845 121.387 120.500 0.070 0.000 2.323 487 R HA -0.025 4.313 4.340 -0.003 0.000 0.198 487 R C -0.196 176.275 176.300 0.286 0.000 0.988 487 R CA 0.490 56.701 56.100 0.185 0.000 1.041 487 R CB -0.336 30.054 30.300 0.151 0.000 0.926 487 R HN 0.311 nan 8.270 nan 0.000 0.476 488 D N 1.467 122.013 120.400 0.242 0.000 2.751 488 D HA -0.148 4.490 4.640 -0.003 0.000 0.233 488 D C -0.537 175.975 176.300 0.353 0.000 1.149 488 D CA 1.093 55.320 54.000 0.378 0.000 0.682 488 D CB -0.400 40.637 40.800 0.395 0.000 1.068 488 D HN 0.178 nan 8.370 nan 0.000 0.429 489 Q N -0.192 119.765 119.800 0.261 0.000 2.256 489 Q HA 0.546 4.884 4.340 -0.003 0.000 0.257 489 Q C 0.883 176.916 176.000 0.055 0.000 0.936 489 Q CA -0.195 55.681 55.803 0.121 0.000 0.903 489 Q CB 1.926 30.718 28.738 0.089 0.000 1.263 489 Q HN 0.387 nan 8.270 nan 0.000 0.440 490 T N -3.236 111.265 114.554 -0.087 0.000 2.883 490 T HA 0.432 4.780 4.350 -0.003 0.000 0.284 490 T C 1.147 175.804 174.700 -0.071 0.000 1.041 490 T CA -0.703 61.284 62.100 -0.188 0.000 1.007 490 T CB 0.579 69.201 68.868 -0.409 0.000 1.220 490 T HN 0.136 nan 8.240 nan 0.000 0.552 491 V N 1.172 121.072 119.914 -0.023 0.000 2.407 491 V HA -0.081 4.037 4.120 -0.003 0.000 0.248 491 V C 3.140 179.196 176.094 -0.062 0.000 1.055 491 V CA 2.358 64.644 62.300 -0.022 0.000 1.049 491 V CB -1.586 30.235 31.823 -0.003 0.000 0.662 491 V HN 1.047 nan 8.190 nan 0.000 0.455 492 A N -0.085 122.701 122.820 -0.057 0.000 1.940 492 A HA -0.265 4.053 4.320 -0.003 0.000 0.219 492 A C 2.018 179.562 177.584 -0.066 0.000 1.176 492 A CA 2.049 54.044 52.037 -0.071 0.000 0.631 492 A CB -0.529 18.400 19.000 -0.119 0.000 0.814 492 A HN 0.585 nan 8.150 nan 0.000 0.446 493 D N -0.258 120.106 120.400 -0.059 0.000 2.144 493 D HA -0.080 4.558 4.640 -0.003 0.000 0.200 493 D C 2.088 178.393 176.300 0.008 0.000 0.978 493 D CA 1.385 55.381 54.000 -0.007 0.000 0.833 493 D CB -0.326 40.474 40.800 -0.000 0.000 0.961 493 D HN 0.259 nan 8.370 nan 0.000 0.470 494 V N 1.666 121.566 119.914 -0.024 0.000 2.295 494 V HA -0.226 3.892 4.120 -0.003 0.000 0.246 494 V C 2.705 178.743 176.094 -0.092 0.000 1.049 494 V CA 1.159 63.431 62.300 -0.047 0.000 1.024 494 V CB -0.529 31.265 31.823 -0.048 0.000 0.648 494 V HN 0.179 nan 8.190 nan 0.000 0.447 495 L N -0.338 120.825 121.223 -0.099 0.000 2.127 495 L HA -0.206 4.133 4.340 -0.003 0.000 0.211 495 L C 2.715 179.513 176.870 -0.121 0.000 1.089 495 L CA 1.801 56.571 54.840 -0.117 0.000 0.757 495 L CB -0.587 41.402 42.059 -0.117 0.000 0.899 495 L HN 0.295 nan 8.230 nan 0.000 0.434 496 R N 0.264 120.708 120.500 -0.093 0.000 2.075 496 R HA -0.136 4.203 4.340 -0.003 0.000 0.232 496 R C 2.355 178.486 176.300 -0.282 0.000 1.126 496 R CA 1.248 57.295 56.100 -0.088 0.000 0.963 496 R CB -0.165 30.161 30.300 0.042 0.000 0.858 496 R HN 0.314 nan 8.270 nan 0.000 0.435 497 A N 0.451 123.016 122.820 -0.424 0.000 1.877 497 A HA -0.173 4.146 4.320 -0.003 0.000 0.216 497 A C 2.235 179.534 177.584 -0.475 0.000 1.186 497 A CA 2.143 53.678 52.037 -0.836 0.000 0.620 497 A CB -1.107 17.582 19.000 -0.518 0.000 0.822 497 A HN 0.634 nan 8.150 nan 0.000 0.443 498 T N -2.529 111.860 114.554 -0.274 0.000 2.821 498 T HA 0.025 4.373 4.350 -0.003 0.000 0.267 498 T C 1.911 176.507 174.700 -0.174 0.000 1.046 498 T CA 1.458 63.443 62.100 -0.192 0.000 1.139 498 T CB -1.000 67.784 68.868 -0.140 0.000 0.871 498 T HN 0.474 nan 8.240 nan 0.000 0.454 499 G N 1.390 110.086 108.800 -0.173 0.000 2.485 499 G HA2 0.010 3.968 3.960 -0.003 0.000 0.221 499 G HA3 0.010 3.968 3.960 -0.003 0.000 0.221 499 G C 1.608 176.421 174.900 -0.146 0.000 1.115 499 G CA 0.644 45.661 45.100 -0.137 0.000 0.751 499 G HN 0.796 nan 8.290 nan 0.000 0.567 500 A N -0.850 121.838 122.820 -0.221 0.000 2.275 500 A HA 0.520 4.838 4.320 -0.003 0.000 0.212 500 A C 1.884 179.367 177.584 -0.168 0.000 1.201 500 A CA 1.151 53.069 52.037 -0.198 0.000 0.843 500 A CB -0.219 18.616 19.000 -0.275 0.000 0.873 500 A HN 1.519 nan 8.150 nan 0.000 0.492 501 G N -1.631 107.075 108.800 -0.156 0.000 2.253 501 G HA2 -0.186 3.772 3.960 -0.003 0.000 0.209 501 G HA3 -0.186 3.772 3.960 -0.003 0.000 0.209 501 G C 0.201 175.030 174.900 -0.118 0.000 0.997 501 G CA 0.013 45.041 45.100 -0.120 0.000 0.640 501 G HN 0.312 nan 8.290 nan 0.000 0.496 502 M N 0.569 120.071 119.600 -0.162 0.000 2.211 502 M HA 0.545 5.023 4.480 -0.003 0.000 0.356 502 M C 1.175 177.445 176.300 -0.050 0.000 1.216 502 M CA 0.479 55.720 55.300 -0.099 0.000 1.134 502 M CB 1.447 33.955 32.600 -0.154 0.000 1.564 502 M HN 0.215 nan 8.290 nan 0.000 0.463 503 Q N 0.171 119.982 119.800 0.018 0.000 2.254 503 Q HA 0.150 4.489 4.340 -0.003 0.000 0.259 503 Q C 0.279 176.268 176.000 -0.019 0.000 0.815 503 Q CA -0.138 55.654 55.803 -0.018 0.000 0.961 503 Q CB 1.131 29.853 28.738 -0.027 0.000 1.140 503 Q HN 0.767 nan 8.270 nan 0.000 0.502 504 S N -0.091 115.613 115.700 0.006 0.000 2.562 504 S HA 0.061 4.529 4.470 -0.003 0.000 0.281 504 S C 1.210 175.771 174.600 -0.064 0.000 1.333 504 S CA -0.339 57.817 58.200 -0.073 0.000 1.052 504 S CB 1.371 64.450 63.200 -0.201 0.000 0.884 504 S HN 0.196 nan 8.310 nan 0.000 0.506 505 V N 4.333 124.196 119.914 -0.084 0.000 2.594 505 V HA -0.067 4.052 4.120 -0.003 0.000 0.253 505 V C 2.164 178.216 176.094 -0.071 0.000 1.069 505 V CA 2.087 64.341 62.300 -0.076 0.000 1.082 505 V CB -0.752 31.013 31.823 -0.096 0.000 0.680 505 V HN 0.915 nan 8.190 nan 0.000 0.469 506 E N -0.505 119.630 120.200 -0.107 0.000 2.072 506 E HA -0.198 4.151 4.350 -0.003 0.000 0.191 506 E C 1.961 178.543 176.600 -0.031 0.000 0.985 506 E CA 1.770 58.105 56.400 -0.108 0.000 0.801 506 E CB -0.384 29.212 29.700 -0.172 0.000 0.750 506 E HN 0.825 nan 8.360 nan 0.000 0.452 507 H N 0.275 119.329 119.070 -0.027 0.000 2.326 507 H HA -0.046 4.508 4.556 -0.003 0.000 0.301 507 H C 2.184 177.518 175.328 0.010 0.000 1.081 507 H CA 0.788 56.832 56.048 -0.007 0.000 1.334 507 H CB 0.203 29.947 29.762 -0.029 0.000 1.385 507 H HN 0.055 nan 8.280 nan 0.000 0.504 508 I N 1.382 122.016 120.570 0.106 0.000 2.208 508 I HA -0.286 3.882 4.170 -0.003 0.000 0.245 508 I C 2.394 178.556 176.117 0.075 0.000 1.097 508 I CA 1.417 62.749 61.300 0.054 0.000 1.363 508 I CB -1.006 36.992 38.000 -0.004 0.000 1.051 508 I HN 0.286 nan 8.210 nan 0.000 0.413 509 K N 1.425 121.850 120.400 0.041 0.000 2.044 509 K HA -0.197 4.121 4.320 -0.003 0.000 0.210 509 K C 2.328 178.959 176.600 0.052 0.000 1.049 509 K CA 1.797 58.098 56.287 0.024 0.000 0.927 509 K CB -0.085 32.404 32.500 -0.018 0.000 0.713 509 K HN 0.194 nan 8.250 nan 0.000 0.443 510 R N -1.219 119.328 120.500 0.078 0.000 2.153 510 R HA -0.073 4.265 4.340 -0.003 0.000 0.218 510 R C 2.228 178.580 176.300 0.085 0.000 1.072 510 R CA 1.160 57.303 56.100 0.072 0.000 0.990 510 R CB -0.214 30.138 30.300 0.086 0.000 0.889 510 R HN 0.350 nan 8.270 nan 0.000 0.452 511 Y N 1.045 121.342 120.300 -0.004 0.000 2.243 511 Y HA -0.182 4.366 4.550 -0.003 0.000 0.293 511 Y C 2.501 178.378 175.900 -0.037 0.000 1.124 511 Y CA 1.796 59.879 58.100 -0.028 0.000 1.159 511 Y CB 0.120 38.558 38.460 -0.036 0.000 1.008 511 Y HN 0.060 nan 8.280 nan 0.000 0.527 512 T N -3.208 111.459 114.554 0.188 0.000 3.035 512 T HA 0.005 4.354 4.350 -0.003 0.000 0.259 512 T C 1.305 176.013 174.700 0.014 0.000 1.078 512 T CA 0.866 63.024 62.100 0.097 0.000 1.132 512 T CB -0.504 68.424 68.868 0.099 0.000 0.900 512 T HN 0.621 nan 8.240 nan 0.000 0.480 513 S N -0.075 115.635 115.700 0.017 0.000 2.931 513 S HA -0.160 4.308 4.470 -0.003 0.000 0.271 513 S C 0.043 174.663 174.600 0.033 0.000 1.309 513 S CA 0.296 58.505 58.200 0.015 0.000 1.181 513 S CB -2.923 60.280 63.200 0.005 0.000 1.435 513 S HN 0.700 nan 8.310 nan 0.000 0.670 514 I N 2.995 123.587 120.570 0.036 0.000 2.668 514 I HA 0.254 4.422 4.170 -0.003 0.000 0.285 514 I C 1.465 177.594 176.117 0.020 0.000 1.168 514 I CA 1.343 62.665 61.300 0.037 0.000 1.424 514 I CB 0.673 38.695 38.000 0.038 0.000 1.377 514 I HN 1.221 nan 8.210 nan 0.000 0.560 515 S N 2.320 118.035 115.700 0.024 0.000 3.091 515 S HA -0.194 4.275 4.470 -0.003 0.000 0.275 515 S C 0.829 175.432 174.600 0.006 0.000 1.306 515 S CA 0.913 59.120 58.200 0.011 0.000 1.083 515 S CB -2.177 61.012 63.200 -0.018 0.000 1.313 515 S HN 0.909 nan 8.310 nan 0.000 0.673 516 T N -1.304 113.260 114.554 0.016 0.000 3.069 516 T HA 0.730 5.078 4.350 -0.003 0.000 0.252 516 T C 0.977 175.691 174.700 0.023 0.000 1.053 516 T CA 0.621 62.731 62.100 0.017 0.000 0.964 516 T CB 0.423 69.303 68.868 0.020 0.000 1.005 516 T HN 1.438 nan 8.240 nan 0.000 0.532 517 A N 2.931 125.765 122.820 0.025 0.000 2.251 517 A HA 0.425 4.743 4.320 -0.003 0.000 0.278 517 A C 1.715 179.301 177.584 0.004 0.000 1.206 517 A CA -0.082 51.965 52.037 0.016 0.000 0.822 517 A CB 0.069 19.077 19.000 0.013 0.000 1.187 517 A HN 0.416 nan 8.150 nan 0.000 0.504 518 N N -0.253 118.441 118.700 -0.010 0.000 2.550 518 N HA -0.142 4.596 4.740 -0.003 0.000 0.186 518 N C 0.317 175.812 175.510 -0.026 0.000 1.110 518 N CA 1.550 54.589 53.050 -0.018 0.000 0.912 518 N CB -0.230 38.241 38.487 -0.026 0.000 0.968 518 N HN 0.644 nan 8.380 nan 0.000 0.448 519 D N -0.758 119.631 120.400 -0.019 0.000 2.350 519 D HA -0.061 4.577 4.640 -0.003 0.000 0.213 519 D C -0.157 176.148 176.300 0.009 0.000 1.031 519 D CA 0.042 54.029 54.000 -0.020 0.000 0.861 519 D CB -0.368 40.423 40.800 -0.014 0.000 0.926 519 D HN -0.024 nan 8.370 nan 0.000 0.520 520 Q N 0.093 119.906 119.800 0.021 0.000 2.443 520 Q HA -0.171 4.168 4.340 -0.003 0.000 0.337 520 Q C 1.105 177.153 176.000 0.080 0.000 1.401 520 Q CA 1.082 56.911 55.803 0.044 0.000 0.943 520 Q CB -2.283 26.492 28.738 0.062 0.000 1.177 520 Q HN 0.753 nan 8.270 nan 0.000 0.394 521 G N -0.479 108.360 108.800 0.065 0.000 2.162 521 G HA2 -0.398 3.561 3.960 -0.003 0.000 0.260 521 G HA3 -0.398 3.561 3.960 -0.003 0.000 0.260 521 G C 0.951 175.949 174.900 0.163 0.000 0.976 521 G CA 0.815 45.963 45.100 0.079 0.000 0.655 521 G HN 0.462 nan 8.290 nan 0.000 0.533 522 K N -0.319 120.194 120.400 0.188 0.000 2.147 522 K HA -0.031 4.287 4.320 -0.003 0.000 0.205 522 K C 2.627 179.372 176.600 0.241 0.000 1.049 522 K CA 1.896 58.349 56.287 0.278 0.000 0.936 522 K CB -0.129 32.462 32.500 0.152 0.000 0.722 522 K HN 0.633 nan 8.250 nan 0.000 0.446 523 T N -3.163 111.491 114.554 0.168 0.000 3.001 523 T HA 0.042 4.390 4.350 -0.003 0.000 0.251 523 T C 1.690 176.495 174.700 0.174 0.000 1.040 523 T CA 0.389 62.603 62.100 0.190 0.000 0.985 523 T CB 0.384 69.376 68.868 0.207 0.000 1.011 523 T HN 0.096 nan 8.240 nan 0.000 0.509 524 S N 0.343 116.125 115.700 0.137 0.000 2.505 524 S HA 0.377 4.845 4.470 -0.003 0.000 0.216 524 S C 2.141 176.811 174.600 0.116 0.000 1.018 524 S CA 0.378 58.648 58.200 0.116 0.000 0.911 524 S CB -0.379 62.866 63.200 0.076 0.000 0.818 524 S HN 0.479 nan 8.310 nan 0.000 0.497 525 G N 2.036 110.909 108.800 0.122 0.000 2.404 525 G HA2 -0.048 3.911 3.960 -0.003 0.000 0.214 525 G HA3 -0.048 3.911 3.960 -0.003 0.000 0.214 525 G C 1.322 176.289 174.900 0.113 0.000 1.189 525 G CA 1.129 46.274 45.100 0.076 0.000 0.789 525 G HN 0.428 nan 8.290 nan 0.000 0.533 526 V N 1.517 121.557 119.914 0.210 0.000 2.488 526 V HA 0.026 4.144 4.120 -0.003 0.000 0.246 526 V C 3.287 179.519 176.094 0.231 0.000 1.046 526 V CA 1.506 63.972 62.300 0.276 0.000 1.053 526 V CB -0.658 31.429 31.823 0.440 0.000 0.679 526 V HN 0.453 nan 8.190 nan 0.000 0.458 527 A N 0.571 123.553 122.820 0.270 0.000 1.927 527 A HA -0.268 4.051 4.320 -0.003 0.000 0.220 527 A C 2.397 180.084 177.584 0.170 0.000 1.185 527 A CA 2.578 54.784 52.037 0.282 0.000 0.639 527 A CB -0.761 18.383 19.000 0.240 0.000 0.820 527 A HN 0.599 nan 8.150 nan 0.000 0.451 528 A N -0.522 122.360 122.820 0.102 0.000 1.929 528 A HA 0.038 4.357 4.320 -0.003 0.000 0.216 528 A C 2.099 179.671 177.584 -0.020 0.000 1.176 528 A CA 1.288 53.352 52.037 0.045 0.000 0.628 528 A CB -0.527 18.491 19.000 0.030 0.000 0.816 528 A HN 0.492 nan 8.150 nan 0.000 0.444 529 I N -0.079 120.465 120.570 -0.043 0.000 2.208 529 I HA -0.220 3.948 4.170 -0.003 0.000 0.245 529 I C 2.654 178.586 176.117 -0.308 0.000 1.097 529 I CA 1.173 62.392 61.300 -0.136 0.000 1.363 529 I CB -0.501 37.459 38.000 -0.068 0.000 1.051 529 I HN 0.395 nan 8.210 nan 0.000 0.413 530 G N 0.212 108.777 108.800 -0.391 0.000 2.422 530 G HA2 -0.165 3.793 3.960 -0.003 0.000 0.218 530 G HA3 -0.165 3.793 3.960 -0.003 0.000 0.218 530 G C 1.705 176.505 174.900 -0.166 0.000 1.146 530 G CA 0.776 45.490 45.100 -0.643 0.000 0.769 530 G HN 0.244 nan 8.290 nan 0.000 0.547 531 V N 1.393 121.294 119.914 -0.021 0.000 2.323 531 V HA -0.100 4.018 4.120 -0.003 0.000 0.244 531 V C 2.789 178.845 176.094 -0.064 0.000 1.041 531 V CA 0.993 63.300 62.300 0.012 0.000 1.025 531 V CB -0.295 31.551 31.823 0.039 0.000 0.656 531 V HN 0.231 nan 8.190 nan 0.000 0.451 532 I N 1.062 121.575 120.570 -0.095 0.000 2.151 532 I HA -0.252 3.916 4.170 -0.003 0.000 0.243 532 I C 2.711 178.750 176.117 -0.130 0.000 1.080 532 I CA 1.952 63.187 61.300 -0.108 0.000 1.339 532 I CB -1.892 36.042 38.000 -0.110 0.000 1.039 532 I HN 0.285 nan 8.210 nan 0.000 0.409 533 A N 0.766 123.476 122.820 -0.184 0.000 1.883 533 A HA -0.149 4.169 4.320 -0.003 0.000 0.217 533 A C 2.573 180.086 177.584 -0.118 0.000 1.186 533 A CA 2.445 54.365 52.037 -0.195 0.000 0.624 533 A CB -1.016 17.785 19.000 -0.331 0.000 0.822 533 A HN 0.430 nan 8.150 nan 0.000 0.444 534 A N -0.877 121.897 122.820 -0.078 0.000 1.877 534 A HA -0.005 4.313 4.320 -0.003 0.000 0.216 534 A C 2.242 179.792 177.584 -0.058 0.000 1.186 534 A CA 1.801 53.826 52.037 -0.019 0.000 0.620 534 A CB -0.959 18.068 19.000 0.046 0.000 0.822 534 A HN 0.416 nan 8.150 nan 0.000 0.443 535 V N -0.232 119.631 119.914 -0.086 0.000 2.515 535 V HA -0.142 3.976 4.120 -0.003 0.000 0.250 535 V C 2.149 178.187 176.094 -0.093 0.000 1.058 535 V CA 1.700 63.934 62.300 -0.109 0.000 1.064 535 V CB -0.400 31.348 31.823 -0.124 0.000 0.675 535 V HN 0.551 nan 8.190 nan 0.000 0.461 536 L N -0.130 121.041 121.223 -0.087 0.000 2.607 536 L HA 0.346 4.684 4.340 -0.003 0.000 0.228 536 L C 1.561 178.392 176.870 -0.066 0.000 1.123 536 L CA 0.680 55.474 54.840 -0.078 0.000 0.890 536 L CB -0.267 41.743 42.059 -0.082 0.000 1.103 536 L HN 0.492 nan 8.230 nan 0.000 0.468 537 G N 1.680 110.443 108.800 -0.061 0.000 2.273 537 G HA2 -0.289 3.669 3.960 -0.003 0.000 0.280 537 G HA3 -0.289 3.669 3.960 -0.003 0.000 0.280 537 G C 0.071 174.939 174.900 -0.052 0.000 1.047 537 G CA 0.064 45.136 45.100 -0.046 0.000 0.869 537 G HN 0.320 nan 8.290 nan 0.000 0.502 538 I N -0.274 120.251 120.570 -0.075 0.000 2.440 538 I HA 0.273 4.442 4.170 -0.003 0.000 0.294 538 I C 1.401 177.460 176.117 -0.096 0.000 0.995 538 I CA -0.730 60.517 61.300 -0.089 0.000 1.306 538 I CB 1.167 39.099 38.000 -0.113 0.000 1.407 538 I HN 0.197 nan 8.210 nan 0.000 0.501 539 E N 3.282 123.433 120.200 -0.081 0.000 2.127 539 E HA -0.022 4.326 4.350 -0.003 0.000 0.191 539 E C 0.468 176.997 176.600 -0.119 0.000 0.964 539 E CA 0.421 56.785 56.400 -0.060 0.000 0.832 539 E CB 0.162 29.849 29.700 -0.023 0.000 0.790 539 E HN 0.565 nan 8.360 nan 0.000 0.465 540 N N 1.712 120.314 118.700 -0.163 0.000 2.527 540 N HA 0.085 4.824 4.740 -0.003 0.000 0.236 540 N C -2.213 173.042 175.510 -0.424 0.000 0.999 540 N CA -1.907 50.986 53.050 -0.261 0.000 0.935 540 N CB 1.319 39.726 38.487 -0.134 0.000 1.132 540 N HN -0.251 nan 8.380 nan 0.000 0.511 541 P HA -0.162 nan 4.420 nan 0.000 0.218 541 P C 0.857 177.872 177.300 -0.475 0.000 1.146 541 P CA 0.926 63.508 63.100 -0.863 0.000 0.813 541 P CB 0.227 30.903 31.700 -1.708 0.000 0.778 542 A N -0.566 122.006 122.820 -0.412 0.000 2.070 542 A HA -0.245 4.074 4.320 -0.003 0.000 0.220 542 A C 2.184 179.786 177.584 0.030 0.000 1.159 542 A CA 1.354 53.424 52.037 0.056 0.000 0.656 542 A CB -1.041 18.045 19.000 0.143 0.000 0.800 542 A HN 0.234 nan 8.150 nan 0.000 0.453 543 Q N -0.494 119.262 119.800 -0.074 0.000 2.119 543 Q HA -0.101 4.237 4.340 -0.003 0.000 0.201 543 Q C 1.916 177.881 176.000 -0.060 0.000 0.972 543 Q CA 1.296 57.064 55.803 -0.058 0.000 0.847 543 Q CB -0.224 28.464 28.738 -0.082 0.000 0.903 543 Q HN 0.693 nan 8.270 nan 0.000 0.433 544 I N -0.182 120.335 120.570 -0.088 0.000 2.233 544 I HA -0.044 4.124 4.170 -0.003 0.000 0.243 544 I C 1.357 177.440 176.117 -0.055 0.000 1.093 544 I CA 1.231 62.480 61.300 -0.085 0.000 1.380 544 I CB -1.370 36.556 38.000 -0.123 0.000 1.067 544 I HN 0.301 nan 8.210 nan 0.000 0.413 545 G N 1.467 110.270 108.800 0.004 0.000 2.829 545 G HA2 -0.205 3.753 3.960 -0.003 0.000 0.628 545 G HA3 -0.205 3.753 3.960 -0.003 0.000 0.628 545 G C 0.125 174.900 174.900 -0.209 0.000 1.412 545 G CA -0.086 44.979 45.100 -0.058 0.000 0.864 545 G HN 0.551 nan 8.290 nan 0.000 0.544 546 T N -2.087 112.251 114.554 -0.360 0.000 2.918 546 T HA 0.754 5.103 4.350 -0.003 0.000 0.283 546 T C 1.076 175.617 174.700 -0.265 0.000 1.001 546 T CA 0.652 62.537 62.100 -0.358 0.000 1.041 546 T CB 1.364 69.993 68.868 -0.397 0.000 1.028 546 T HN 2.073 nan 8.240 nan 0.000 0.511 547 T N 0.028 114.399 114.554 -0.306 0.000 2.813 547 T HA 0.327 4.675 4.350 -0.003 0.000 0.297 547 T C 0.373 174.852 174.700 -0.369 0.000 1.036 547 T CA -0.766 61.165 62.100 -0.282 0.000 1.044 547 T CB -0.248 68.470 68.868 -0.249 0.000 0.993 547 T HN 0.754 nan 8.240 nan 0.000 0.535 548 T N 2.189 116.606 114.554 -0.229 0.000 2.933 548 T HA 0.178 4.526 4.350 -0.003 0.000 0.306 548 T C -0.247 174.301 174.700 -0.254 0.000 1.045 548 T CA 0.178 62.187 62.100 -0.152 0.000 1.143 548 T CB -0.472 68.360 68.868 -0.060 0.000 1.003 548 T HN 0.440 nan 8.240 nan 0.000 0.540 549 F N 3.144 123.060 119.950 -0.056 0.000 2.411 549 F HA 0.445 4.971 4.527 -0.003 0.000 0.355 549 F C 1.198 177.009 175.800 0.018 0.000 1.117 549 F CA -0.698 57.284 58.000 -0.030 0.000 1.139 549 F CB 0.815 39.781 39.000 -0.056 0.000 1.120 549 F HN 0.159 nan 8.300 nan 0.000 0.493 550 R N 1.907 122.531 120.500 0.206 0.000 2.740 550 R HA 0.707 5.045 4.340 -0.003 0.000 0.282 550 R C -0.529 175.895 176.300 0.206 0.000 0.969 550 R CA -1.198 55.000 56.100 0.164 0.000 0.918 550 R CB 1.867 32.233 30.300 0.110 0.000 1.175 550 R HN 0.692 nan 8.270 nan 0.000 0.464 551 A N 3.663 126.599 122.820 0.193 0.000 2.386 551 A HA 0.442 4.760 4.320 -0.003 0.000 0.248 551 A C -1.791 175.933 177.584 0.234 0.000 1.082 551 A CA -0.892 51.301 52.037 0.260 0.000 0.789 551 A CB -0.363 18.814 19.000 0.296 0.000 1.025 551 A HN 0.447 nan 8.150 nan 0.000 0.490 552 P HA 0.125 nan 4.420 nan 0.000 0.282 552 P C 0.129 177.600 177.300 0.285 0.000 1.249 552 P CA -0.282 62.995 63.100 0.296 0.000 0.806 552 P CB 0.666 32.358 31.700 -0.013 0.000 0.984 553 Y N 3.027 123.476 120.300 0.248 0.000 2.069 553 Y HA -0.209 4.339 4.550 -0.003 0.000 0.278 553 Y C 0.952 176.931 175.900 0.131 0.000 1.175 553 Y CA 2.424 60.631 58.100 0.179 0.000 1.134 553 Y CB -0.510 38.022 38.460 0.120 0.000 0.965 553 Y HN 0.484 nan 8.280 nan 0.000 0.498 554 T N -2.301 112.205 114.554 -0.079 0.000 2.906 554 T HA 0.568 4.916 4.350 -0.003 0.000 0.295 554 T C -2.855 171.806 174.700 -0.065 0.000 1.075 554 T CA -2.238 59.769 62.100 -0.155 0.000 1.005 554 T CB 2.225 71.001 68.868 -0.154 0.000 1.136 554 T HN -0.189 nan 8.240 nan 0.000 0.498 555 P HA 0.465 nan 4.420 nan 0.000 0.272 555 P C -1.107 176.122 177.300 -0.118 0.000 1.223 555 P CA -0.567 62.486 63.100 -0.078 0.000 0.784 555 P CB 0.576 32.249 31.700 -0.044 0.000 0.923 556 V N 1.149 120.962 119.914 -0.169 0.000 2.588 556 V HA 0.317 4.435 4.120 -0.003 0.000 0.304 556 V C 0.210 176.267 176.094 -0.062 0.000 1.042 556 V CA -0.792 61.391 62.300 -0.195 0.000 0.877 556 V CB 1.647 33.177 31.823 -0.489 0.000 0.996 556 V HN 0.674 nan 8.190 nan 0.000 0.425 557 S N 3.796 119.470 115.700 -0.044 0.000 2.560 557 S HA 0.232 4.700 4.470 -0.003 0.000 0.284 557 S C 0.886 175.531 174.600 0.074 0.000 1.327 557 S CA -0.131 58.062 58.200 -0.011 0.000 1.055 557 S CB 0.233 63.375 63.200 -0.096 0.000 0.868 557 S HN 0.422 nan 8.310 nan 0.000 0.506 558 F N 2.052 121.909 119.950 -0.156 0.000 2.161 558 F HA -0.045 4.480 4.527 -0.003 0.000 0.300 558 F C 2.706 178.396 175.800 -0.184 0.000 1.089 558 F CA 0.859 58.779 58.000 -0.133 0.000 1.282 558 F CB -1.607 37.338 39.000 -0.091 0.000 1.010 558 F HN 0.810 nan 8.300 nan 0.000 0.485 559 A N -0.259 122.505 122.820 -0.094 0.000 1.930 559 A HA 0.055 4.373 4.320 -0.003 0.000 0.217 559 A C 2.460 179.678 177.584 -0.610 0.000 1.175 559 A CA 1.487 53.324 52.037 -0.334 0.000 0.627 559 A CB -1.137 17.575 19.000 -0.479 0.000 0.815 559 A HN 0.274 nan 8.150 nan 0.000 0.443 560 A N -0.107 122.280 122.820 -0.722 0.000 1.933 560 A HA -0.038 4.280 4.320 -0.003 0.000 0.218 560 A C 2.111 179.729 177.584 0.056 0.000 1.175 560 A CA 1.481 53.308 52.037 -0.350 0.000 0.628 560 A CB -0.550 18.362 19.000 -0.147 0.000 0.814 560 A HN 0.474 nan 8.150 nan 0.000 0.444 561 L N -1.054 120.186 121.223 0.028 0.000 2.156 561 L HA -0.097 4.241 4.340 -0.003 0.000 0.208 561 L C 2.932 179.951 176.870 0.248 0.000 1.095 561 L CA 0.809 55.745 54.840 0.159 0.000 0.770 561 L CB -0.431 41.643 42.059 0.025 0.000 0.914 561 L HN 0.424 nan 8.230 nan 0.000 0.439 562 A N -0.114 122.752 122.820 0.077 0.000 2.066 562 A HA 0.194 4.512 4.320 -0.003 0.000 0.218 562 A C 1.769 179.298 177.584 -0.092 0.000 1.157 562 A CA 1.013 53.056 52.037 0.009 0.000 0.670 562 A CB -0.663 18.330 19.000 -0.012 0.000 0.804 562 A HN 0.480 nan 8.150 nan 0.000 0.453 563 G N -0.370 108.405 108.800 -0.041 0.000 2.611 563 G HA2 -0.340 3.618 3.960 -0.003 0.000 0.301 563 G HA3 -0.340 3.618 3.960 -0.003 0.000 0.301 563 G C 0.649 175.442 174.900 -0.179 0.000 1.233 563 G CA 0.447 45.437 45.100 -0.183 0.000 0.993 563 G HN 0.410 nan 8.290 nan 0.000 0.553 564 R N 0.924 121.269 120.500 -0.259 0.000 2.388 564 R HA 0.229 4.567 4.340 -0.003 0.000 0.247 564 R C 1.082 177.295 176.300 -0.146 0.000 0.931 564 R CA 0.632 56.603 56.100 -0.213 0.000 1.082 564 R CB -0.524 29.650 30.300 -0.209 0.000 1.135 564 R HN 0.398 nan 8.270 nan 0.000 0.525 565 T N 2.692 117.159 114.554 -0.146 0.000 4.313 565 T HA 0.218 4.566 4.350 -0.003 0.000 0.272 565 T C 0.257 174.918 174.700 -0.065 0.000 1.298 565 T CA 0.110 62.149 62.100 -0.101 0.000 1.124 565 T CB -0.013 68.792 68.868 -0.104 0.000 1.352 565 T HN -0.150 nan 8.240 nan 0.000 1.013 566 R N 0.195 120.662 120.500 -0.056 0.000 2.836 566 R HA 0.689 5.027 4.340 -0.003 0.000 0.269 566 R C 0.997 177.284 176.300 -0.021 0.000 1.010 566 R CA -0.241 55.841 56.100 -0.030 0.000 0.930 566 R CB 1.165 31.451 30.300 -0.023 0.000 1.218 566 R HN 0.500 nan 8.270 nan 0.000 0.473 567 G N 1.639 110.435 108.800 -0.007 0.000 2.651 567 G HA2 -0.377 3.581 3.960 -0.003 0.000 0.315 567 G HA3 -0.377 3.581 3.960 -0.003 0.000 0.315 567 G C 0.661 175.552 174.900 -0.014 0.000 1.258 567 G CA 0.690 45.788 45.100 -0.003 0.000 1.002 567 G HN 0.569 nan 8.290 nan 0.000 0.551 568 E N 0.623 120.813 120.200 -0.017 0.000 2.208 568 E HA 0.065 4.414 4.350 -0.003 0.000 0.193 568 E C 2.676 179.251 176.600 -0.042 0.000 0.988 568 E CA 0.751 57.133 56.400 -0.029 0.000 0.828 568 E CB -0.184 29.499 29.700 -0.029 0.000 0.763 568 E HN 0.573 nan 8.360 nan 0.000 0.478 569 L N 1.025 122.225 121.223 -0.040 0.000 2.622 569 L HA -0.050 4.288 4.340 -0.003 0.000 0.233 569 L C 2.164 179.001 176.870 -0.055 0.000 1.156 569 L CA -0.121 54.689 54.840 -0.051 0.000 0.866 569 L CB -0.418 41.611 42.059 -0.049 0.000 0.980 569 L HN 0.090 nan 8.230 nan 0.000 0.448 570 L N -0.177 121.018 121.223 -0.047 0.000 2.083 570 L HA 0.004 4.342 4.340 -0.003 0.000 0.209 570 L C 0.240 177.079 176.870 -0.052 0.000 1.083 570 L CA 1.807 56.620 54.840 -0.045 0.000 0.752 570 L CB -0.038 42.001 42.059 -0.033 0.000 0.899 570 L HN 0.201 nan 8.230 nan 0.000 0.433 571 D N -1.124 119.242 120.400 -0.057 0.000 2.937 571 D HA 0.315 4.953 4.640 -0.003 0.000 0.215 571 D C -2.740 173.510 176.300 -0.084 0.000 1.274 571 D CA -1.315 52.645 54.000 -0.068 0.000 0.869 571 D CB 1.578 42.343 40.800 -0.059 0.000 1.675 571 D HN -0.067 nan 8.370 nan 0.000 0.538 572 P HA 0.365 nan 4.420 nan 0.000 0.269 572 P C -1.209 176.002 177.300 -0.147 0.000 1.215 572 P CA -0.522 62.502 63.100 -0.128 0.000 0.780 572 P CB 0.805 32.415 31.700 -0.151 0.000 0.898 573 A N 3.361 126.087 122.820 -0.157 0.000 2.291 573 A HA 0.452 4.770 4.320 -0.003 0.000 0.311 573 A C 0.153 177.605 177.584 -0.220 0.000 1.224 573 A CA -0.801 51.135 52.037 -0.169 0.000 0.821 573 A CB 0.577 19.485 19.000 -0.153 0.000 1.172 573 A HN 0.443 nan 8.150 nan 0.000 0.494 574 R N 1.836 122.174 120.500 -0.269 0.000 2.297 574 R HA 0.593 4.931 4.340 -0.003 0.000 0.308 574 R C -1.065 175.181 176.300 -0.090 0.000 1.029 574 R CA -0.239 55.639 56.100 -0.369 0.000 0.929 574 R CB 1.100 30.814 30.300 -0.977 0.000 1.046 574 R HN 0.654 nan 8.270 nan 0.000 0.461 575 L N 2.353 123.542 121.223 -0.056 0.000 2.341 575 L HA 0.386 4.724 4.340 -0.003 0.000 0.278 575 L C 0.807 177.835 176.870 0.263 0.000 1.005 575 L CA -0.977 53.855 54.840 -0.013 0.000 0.818 575 L CB 1.881 43.769 42.059 -0.285 0.000 1.259 575 L HN 0.733 nan 8.230 nan 0.000 0.418 576 T N -0.763 113.987 114.554 0.327 0.000 2.766 576 T HA 0.268 4.616 4.350 -0.003 0.000 0.295 576 T C 1.304 176.119 174.700 0.193 0.000 1.024 576 T CA 0.052 62.303 62.100 0.252 0.000 1.018 576 T CB 1.365 70.309 68.868 0.126 0.000 1.002 576 T HN 0.656 nan 8.240 nan 0.000 0.532 577 A N 0.826 123.728 122.820 0.138 0.000 2.070 577 A HA 0.015 4.333 4.320 -0.003 0.000 0.220 577 A C 2.053 179.674 177.584 0.062 0.000 1.159 577 A CA 1.224 53.329 52.037 0.113 0.000 0.656 577 A CB -0.848 18.221 19.000 0.116 0.000 0.800 577 A HN 0.728 nan 8.150 nan 0.000 0.453 578 M N -1.835 117.753 119.600 -0.019 0.000 2.502 578 M HA 0.164 4.642 4.480 -0.003 0.000 0.243 578 M C 1.389 177.553 176.300 -0.228 0.000 1.130 578 M CA 0.395 55.519 55.300 -0.294 0.000 1.055 578 M CB -1.449 30.641 32.600 -0.850 0.000 1.457 578 M HN 0.576 nan 8.290 nan 0.000 0.488 579 H N 1.636 120.739 119.070 0.055 0.000 2.321 579 H HA -0.135 4.419 4.556 -0.003 0.000 0.295 579 H C -0.899 174.529 175.328 0.166 0.000 1.102 579 H CA 2.733 58.917 56.048 0.227 0.000 1.266 579 H CB -1.089 28.755 29.762 0.136 0.000 1.363 579 H HN 0.164 nan 8.280 nan 0.000 0.492 580 P HA -0.201 nan 4.420 nan 0.000 0.216 580 P C 1.043 178.413 177.300 0.117 0.000 1.153 580 P CA 1.842 65.017 63.100 0.126 0.000 0.858 580 P CB -0.338 31.443 31.700 0.136 0.000 0.789 581 W N -0.278 120.953 121.300 -0.115 0.000 2.381 581 W HA -0.169 4.490 4.660 -0.003 0.000 0.301 581 W C 2.294 178.802 176.519 -0.018 0.000 1.205 581 W CA 1.592 58.895 57.345 -0.070 0.000 1.285 581 W CB -0.836 28.481 29.460 -0.239 0.000 1.133 581 W HN 0.102 nan 8.180 nan 0.000 0.521 582 H N -0.298 118.981 119.070 0.348 0.000 2.387 582 H HA -0.201 4.354 4.556 -0.003 0.000 0.299 582 H C 2.283 177.650 175.328 0.066 0.000 1.099 582 H CA 1.951 58.152 56.048 0.255 0.000 1.315 582 H CB -0.465 29.372 29.762 0.125 0.000 1.380 582 H HN 0.167 nan 8.280 nan 0.000 0.513 583 L N 0.016 121.337 121.223 0.163 0.000 1.994 583 L HA -0.155 4.183 4.340 -0.003 0.000 0.208 583 L C 2.640 179.517 176.870 0.012 0.000 1.071 583 L CA 0.971 55.877 54.840 0.110 0.000 0.745 583 L CB -0.426 41.662 42.059 0.050 0.000 0.892 583 L HN 0.359 nan 8.230 nan 0.000 0.431 584 A N -1.963 120.832 122.820 -0.041 0.000 2.168 584 A HA -0.143 4.175 4.320 -0.003 0.000 0.215 584 A C 1.526 178.874 177.584 -0.394 0.000 1.152 584 A CA 0.860 52.792 52.037 -0.175 0.000 0.716 584 A CB -0.547 18.351 19.000 -0.170 0.000 0.794 584 A HN 0.487 nan 8.150 nan 0.000 0.465 585 H N -1.156 117.705 119.070 -0.347 0.000 2.487 585 H HA 0.279 4.833 4.556 -0.003 0.000 0.290 585 H C 1.360 176.628 175.328 -0.100 0.000 1.081 585 H CA 0.281 56.118 56.048 -0.351 0.000 1.116 585 H CB 0.038 29.297 29.762 -0.839 0.000 1.560 585 H HN 0.581 nan 8.280 nan 0.000 0.548 586 G N 1.431 110.196 108.800 -0.057 0.000 2.198 586 G HA2 -0.298 3.660 3.960 -0.003 0.000 0.260 586 G HA3 -0.298 3.660 3.960 -0.003 0.000 0.260 586 G C 0.546 175.324 174.900 -0.203 0.000 1.025 586 G CA 0.249 45.302 45.100 -0.078 0.000 0.769 586 G HN 0.634 nan 8.290 nan 0.000 0.507 587 A N -0.166 122.417 122.820 -0.396 0.000 2.477 587 A HA 0.549 4.867 4.320 -0.003 0.000 0.246 587 A C 0.727 177.742 177.584 -0.948 0.000 1.078 587 A CA 0.248 51.727 52.037 -0.931 0.000 0.770 587 A CB 0.447 18.602 19.000 -1.408 0.000 1.011 587 A HN 0.252 nan 8.150 nan 0.000 0.494 588 K N 1.843 121.675 120.400 -0.947 0.000 2.234 588 K HA 0.449 4.767 4.320 -0.003 0.000 0.282 588 K C -1.032 175.181 176.600 -0.645 0.000 1.039 588 K CA 0.148 55.998 56.287 -0.728 0.000 0.928 588 K CB 0.640 32.570 32.500 -0.951 0.000 1.039 588 K HN 0.503 nan 8.250 nan 0.000 0.470 589 F N 0.971 120.893 119.950 -0.047 0.000 2.440 589 F HA 0.268 4.793 4.527 -0.003 0.000 0.328 589 F C 0.940 176.771 175.800 0.051 0.000 1.070 589 F CA -0.795 57.210 58.000 0.009 0.000 1.011 589 F CB 1.193 40.202 39.000 0.016 0.000 1.226 589 F HN 0.464 nan 8.300 nan 0.000 0.491 590 E N -0.515 119.775 120.200 0.151 0.000 2.312 590 E HA 0.385 4.733 4.350 -0.003 0.000 0.267 590 E C -1.883 174.703 176.600 -0.023 0.000 0.894 590 E CA -1.070 55.251 56.400 -0.131 0.000 0.773 590 E CB 1.580 30.912 29.700 -0.613 0.000 1.241 590 E HN 0.315 nan 8.360 nan 0.000 0.432 591 D N 1.923 122.288 120.400 -0.057 0.000 2.325 591 D HA 0.188 4.826 4.640 -0.003 0.000 0.251 591 D C -0.702 175.604 176.300 0.010 0.000 1.196 591 D CA -0.164 53.835 54.000 -0.002 0.000 0.866 591 D CB 1.647 42.437 40.800 -0.017 0.000 1.101 591 D HN 0.184 nan 8.370 nan 0.000 0.476 592 V N 3.041 123.008 119.914 0.088 0.000 2.305 592 V HA 0.432 4.550 4.120 -0.003 0.000 0.275 592 V C 1.191 177.393 176.094 0.180 0.000 1.020 592 V CA -0.219 62.153 62.300 0.119 0.000 0.811 592 V CB 0.743 32.639 31.823 0.122 0.000 1.031 592 V HN 0.869 nan 8.190 nan 0.000 0.439 593 G N 4.856 113.720 108.800 0.108 0.000 2.660 593 G HA2 -0.376 3.582 3.960 -0.003 0.000 0.321 593 G HA3 -0.376 3.582 3.960 -0.003 0.000 0.321 593 G C 0.717 175.640 174.900 0.038 0.000 1.246 593 G CA 1.091 46.236 45.100 0.075 0.000 1.000 593 G HN 0.597 nan 8.290 nan 0.000 0.550 594 Q N -0.288 119.500 119.800 -0.020 0.000 2.403 594 Q HA 0.192 4.530 4.340 -0.003 0.000 0.203 594 Q C 0.284 176.220 176.000 -0.107 0.000 0.932 594 Q CA -0.052 55.682 55.803 -0.114 0.000 0.945 594 Q CB 0.279 28.882 28.738 -0.226 0.000 1.045 594 Q HN 0.493 nan 8.270 nan 0.000 0.511 595 W N 1.532 122.808 121.300 -0.040 0.000 2.376 595 W HA 0.237 4.895 4.660 -0.003 0.000 0.322 595 W C 0.173 176.662 176.519 -0.051 0.000 1.160 595 W CA -0.833 56.484 57.345 -0.047 0.000 1.218 595 W CB 0.819 30.270 29.460 -0.015 0.000 1.205 595 W HN -0.351 nan 8.180 nan 0.000 0.559 596 K N 4.389 124.911 120.400 0.204 0.000 2.285 596 K HA 0.343 4.662 4.320 -0.003 0.000 0.286 596 K C -0.077 176.658 176.600 0.226 0.000 1.072 596 K CA -0.350 55.999 56.287 0.104 0.000 0.913 596 K CB 0.858 33.263 32.500 -0.158 0.000 1.067 596 K HN 0.471 nan 8.250 nan 0.000 0.479 597 R N 2.865 123.508 120.500 0.239 0.000 2.711 597 R HA 0.387 4.725 4.340 -0.003 0.000 0.284 597 R C -2.493 173.941 176.300 0.223 0.000 0.968 597 R CA -2.134 54.067 56.100 0.168 0.000 0.924 597 R CB 1.658 31.990 30.300 0.053 0.000 1.162 597 R HN 0.252 nan 8.270 nan 0.000 0.465 598 P HA -0.039 nan 4.420 nan 0.000 0.271 598 P C -0.471 176.786 177.300 -0.072 0.000 1.220 598 P CA -0.080 62.799 63.100 -0.369 0.000 0.768 598 P CB 0.470 31.776 31.700 -0.658 0.000 0.848 599 W N 6.133 127.241 121.300 -0.320 0.000 2.574 599 W HA 0.127 4.785 4.660 -0.003 0.000 0.282 599 W C -0.349 176.231 176.519 0.103 0.000 1.197 599 W CA 0.978 58.273 57.345 -0.083 0.000 1.376 599 W CB -0.057 29.377 29.460 -0.044 0.000 1.091 599 W HN 0.442 nan 8.180 nan 0.000 0.569 600 Y N -3.515 116.730 120.300 -0.092 0.000 2.702 600 Y HA 0.395 4.943 4.550 -0.003 0.000 0.336 600 Y C -2.180 173.659 175.900 -0.101 0.000 1.203 600 Y CA -2.296 55.780 58.100 -0.040 0.000 1.072 600 Y CB -0.154 38.198 38.460 -0.180 0.000 1.327 600 Y HN -0.162 nan 8.280 nan 0.000 0.456 601 Y N 2.702 123.065 120.300 0.104 0.000 2.842 601 Y HA 0.490 5.039 4.550 -0.003 0.000 0.334 601 Y C -2.637 173.341 175.900 0.130 0.000 1.019 601 Y CA -3.077 55.046 58.100 0.039 0.000 1.258 601 Y CB 0.742 39.279 38.460 0.128 0.000 1.106 601 Y HN 0.312 nan 8.280 nan 0.000 0.545 602 P HA 0.093 nan 4.420 nan 0.000 0.271 602 P C -0.724 176.668 177.300 0.152 0.000 1.216 602 P CA -0.068 63.170 63.100 0.231 0.000 0.776 602 P CB 1.373 33.216 31.700 0.239 0.000 0.881 603 Q N 0.533 120.412 119.800 0.132 0.000 2.351 603 Q HA 0.289 4.627 4.340 -0.003 0.000 0.273 603 Q C -0.337 175.705 176.000 0.071 0.000 1.077 603 Q CA -0.688 55.174 55.803 0.097 0.000 0.843 603 Q CB 1.118 29.918 28.738 0.102 0.000 1.367 603 Q HN 0.392 nan 8.270 nan 0.000 0.449 604 D N 0.516 120.947 120.400 0.051 0.000 2.723 604 D HA -0.176 4.462 4.640 -0.003 0.000 0.236 604 D C 0.532 176.852 176.300 0.033 0.000 1.138 604 D CA 1.383 55.406 54.000 0.038 0.000 0.676 604 D CB -1.428 39.396 40.800 0.039 0.000 1.069 604 D HN 1.065 nan 8.370 nan 0.000 0.430 605 G N 0.027 108.847 108.800 0.034 0.000 2.212 605 G HA2 -0.397 3.561 3.960 -0.003 0.000 0.267 605 G HA3 -0.397 3.561 3.960 -0.003 0.000 0.267 605 G C 0.208 175.126 174.900 0.030 0.000 1.002 605 G CA 0.870 45.989 45.100 0.031 0.000 0.729 605 G HN 0.576 nan 8.290 nan 0.000 0.517 606 E N 0.994 121.218 120.200 0.039 0.000 2.452 606 E HA 0.332 4.680 4.350 -0.003 0.000 0.261 606 E C 1.316 177.927 176.600 0.018 0.000 0.987 606 E CA 0.481 56.898 56.400 0.029 0.000 0.926 606 E CB 0.449 30.177 29.700 0.047 0.000 0.934 606 E HN 0.607 nan 8.360 nan 0.000 0.452 607 S N 3.181 118.869 115.700 -0.020 0.000 2.584 607 S HA -0.053 4.415 4.470 -0.003 0.000 0.270 607 S C 1.195 175.703 174.600 -0.153 0.000 1.346 607 S CA -0.506 57.658 58.200 -0.060 0.000 1.018 607 S CB 0.967 64.124 63.200 -0.070 0.000 0.899 607 S HN 0.775 nan 8.310 nan 0.000 0.542 608 M N 0.716 120.133 119.600 -0.305 0.000 2.082 608 M HA -0.214 4.264 4.480 -0.003 0.000 0.258 608 M C 0.999 176.978 176.300 -0.535 0.000 1.069 608 M CA 2.370 57.184 55.300 -0.811 0.000 1.102 608 M CB -0.746 31.225 32.600 -1.048 0.000 1.336 608 M HN 0.781 nan 8.290 nan 0.000 0.404 609 D N 0.452 120.674 120.400 -0.296 0.000 2.149 609 D HA -0.179 4.459 4.640 -0.003 0.000 0.198 609 D C 1.833 178.083 176.300 -0.084 0.000 0.990 609 D CA 1.672 55.577 54.000 -0.159 0.000 0.839 609 D CB -0.307 40.431 40.800 -0.103 0.000 0.948 609 D HN 0.599 nan 8.370 nan 0.000 0.460 610 E N 0.258 120.406 120.200 -0.086 0.000 2.072 610 E HA -0.048 4.300 4.350 -0.003 0.000 0.190 610 E C 2.110 178.722 176.600 0.021 0.000 0.982 610 E CA 0.935 57.318 56.400 -0.027 0.000 0.803 610 E CB -0.025 29.658 29.700 -0.027 0.000 0.755 610 E HN 0.203 nan 8.360 nan 0.000 0.453 611 A N 0.781 123.592 122.820 -0.015 0.000 1.898 611 A HA -0.117 4.201 4.320 -0.003 0.000 0.216 611 A C 2.453 180.069 177.584 0.053 0.000 1.181 611 A CA 0.987 53.058 52.037 0.057 0.000 0.620 611 A CB -0.524 18.564 19.000 0.147 0.000 0.819 611 A HN 0.110 nan 8.150 nan 0.000 0.442 612 V N -1.632 118.258 119.914 -0.041 0.000 2.307 612 V HA -0.250 3.868 4.120 -0.003 0.000 0.245 612 V C 2.284 178.398 176.094 0.033 0.000 1.045 612 V CA 1.994 64.284 62.300 -0.015 0.000 1.024 612 V CB -0.950 30.814 31.823 -0.100 0.000 0.651 612 V HN 0.687 nan 8.190 nan 0.000 0.449 613 Y N 1.151 121.420 120.300 -0.052 0.000 2.097 613 Y HA -0.319 4.229 4.550 -0.003 0.000 0.282 613 Y C 2.863 178.741 175.900 -0.037 0.000 1.152 613 Y CA 2.509 60.584 58.100 -0.041 0.000 1.136 613 Y CB -0.224 38.215 38.460 -0.034 0.000 0.975 613 Y HN 0.072 nan 8.280 nan 0.000 0.498 614 R N 0.434 121.045 120.500 0.185 0.000 2.117 614 R HA -0.230 4.108 4.340 -0.003 0.000 0.243 614 R C 2.017 178.327 176.300 0.016 0.000 1.143 614 R CA 2.187 58.346 56.100 0.099 0.000 0.968 614 R CB -0.311 30.053 30.300 0.108 0.000 0.863 614 R HN 0.502 nan 8.270 nan 0.000 0.444 615 E N -0.305 119.906 120.200 0.019 0.000 2.047 615 E HA -0.185 4.163 4.350 -0.003 0.000 0.191 615 E C 2.226 178.731 176.600 -0.157 0.000 0.987 615 E CA 1.664 58.056 56.400 -0.014 0.000 0.799 615 E CB -0.051 29.698 29.700 0.082 0.000 0.752 615 E HN 0.504 nan 8.360 nan 0.000 0.449 616 C N 1.080 120.258 119.300 -0.204 0.000 2.432 616 C HA -0.100 4.358 4.460 -0.003 0.000 0.277 616 C C 2.502 177.307 174.990 -0.308 0.000 1.249 616 C CA 0.377 59.213 59.018 -0.303 0.000 1.725 616 C CB -0.807 26.733 27.740 -0.333 0.000 2.028 616 C HN 0.382 nan 8.230 nan 0.000 0.477 617 K N 1.509 121.728 120.400 -0.302 0.000 2.001 617 K HA -0.217 4.101 4.320 -0.003 0.000 0.214 617 K C 2.255 178.767 176.600 -0.147 0.000 1.050 617 K CA 1.970 58.116 56.287 -0.235 0.000 0.934 617 K CB -0.433 31.961 32.500 -0.176 0.000 0.718 617 K HN 0.442 nan 8.250 nan 0.000 0.443 618 A N 0.557 123.314 122.820 -0.104 0.000 1.940 618 A HA -0.152 4.166 4.320 -0.003 0.000 0.219 618 A C 2.233 179.768 177.584 -0.082 0.000 1.176 618 A CA 1.993 53.994 52.037 -0.060 0.000 0.631 618 A CB -0.847 18.143 19.000 -0.017 0.000 0.814 618 A HN 0.375 nan 8.150 nan 0.000 0.446 619 V N -1.590 118.231 119.914 -0.155 0.000 2.591 619 V HA -0.100 4.018 4.120 -0.003 0.000 0.249 619 V C 2.116 178.138 176.094 -0.121 0.000 1.053 619 V CA 1.855 64.060 62.300 -0.158 0.000 1.068 619 V CB -0.715 30.921 31.823 -0.312 0.000 0.689 619 V HN 0.536 nan 8.190 nan 0.000 0.462 620 R N 0.121 120.534 120.500 -0.145 0.000 2.093 620 R HA -0.039 4.299 4.340 -0.003 0.000 0.224 620 R C 2.078 178.343 176.300 -0.059 0.000 1.101 620 R CA 1.573 57.612 56.100 -0.102 0.000 0.979 620 R CB -0.470 29.739 30.300 -0.151 0.000 0.877 620 R HN 0.505 nan 8.270 nan 0.000 0.441 621 D N -0.214 120.149 120.400 -0.062 0.000 2.144 621 D HA -0.091 4.547 4.640 -0.003 0.000 0.199 621 D C 1.507 177.793 176.300 -0.023 0.000 0.984 621 D CA 1.339 55.319 54.000 -0.034 0.000 0.834 621 D CB 0.165 40.949 40.800 -0.027 0.000 0.955 621 D HN 0.064 nan 8.370 nan 0.000 0.465 622 S N -1.981 113.704 115.700 -0.025 0.000 4.848 622 S HA 0.366 4.834 4.470 -0.003 0.000 0.151 622 S C -0.985 173.596 174.600 -0.031 0.000 1.055 622 S CA -0.133 58.057 58.200 -0.016 0.000 1.208 622 S CB 0.495 63.718 63.200 0.040 0.000 2.035 622 S HN -0.060 nan 8.310 nan 0.000 0.792 623 V N 0.931 120.847 119.914 0.002 0.000 3.023 623 V HA 0.729 4.848 4.120 -0.003 0.000 0.294 623 V C -0.571 175.552 176.094 0.048 0.000 1.324 623 V CA 0.405 62.715 62.300 0.015 0.000 0.979 623 V CB 1.282 33.109 31.823 0.007 0.000 1.093 623 V HN 0.920 nan 8.190 nan 0.000 0.434 624 G N 5.292 114.147 108.800 0.091 0.000 2.658 624 G HA2 0.835 4.794 3.960 -0.003 0.000 0.292 624 G HA3 0.835 4.794 3.960 -0.003 0.000 0.292 624 G C -1.025 174.026 174.900 0.252 0.000 1.320 624 G CA -0.788 44.438 45.100 0.209 0.000 0.933 624 G HN 1.166 nan 8.290 nan 0.000 0.476 625 M N -0.298 119.412 119.600 0.183 0.000 2.518 625 M HA 0.872 5.350 4.480 -0.003 0.000 0.300 625 M C -1.802 174.410 176.300 -0.147 0.000 1.175 625 M CA -1.104 54.157 55.300 -0.065 0.000 0.890 625 M CB 2.571 34.898 32.600 -0.456 0.000 1.710 625 M HN 0.505 nan 8.290 nan 0.000 0.453 626 L N 1.662 122.840 121.223 -0.075 0.000 2.455 626 L HA 0.563 4.901 4.340 -0.003 0.000 0.264 626 L C -1.617 175.423 176.870 0.283 0.000 0.968 626 L CA -0.035 54.739 54.840 -0.110 0.000 0.827 626 L CB 2.182 43.929 42.059 -0.519 0.000 1.317 626 L HN 0.819 nan 8.230 nan 0.000 0.407 627 D N 3.937 124.474 120.400 0.229 0.000 2.374 627 D HA 0.434 5.072 4.640 -0.003 0.000 0.240 627 D C 0.268 176.567 176.300 -0.002 0.000 1.229 627 D CA 0.390 54.437 54.000 0.078 0.000 0.895 627 D CB 1.517 42.252 40.800 -0.108 0.000 1.046 627 D HN 0.709 nan 8.370 nan 0.000 0.498 628 A N 2.902 125.733 122.820 0.018 0.000 2.460 628 A HA 0.127 4.445 4.320 -0.003 0.000 0.258 628 A C 1.758 179.294 177.584 -0.080 0.000 1.300 628 A CA -0.295 51.723 52.037 -0.031 0.000 0.913 628 A CB 0.023 19.027 19.000 0.006 0.000 1.031 628 A HN 0.448 nan 8.150 nan 0.000 0.512 629 S N 0.176 115.814 115.700 -0.103 0.000 2.500 629 S HA -0.133 4.335 4.470 -0.003 0.000 0.239 629 S C 1.991 176.419 174.600 -0.287 0.000 0.989 629 S CA 1.734 59.861 58.200 -0.123 0.000 0.951 629 S CB -0.456 62.693 63.200 -0.085 0.000 0.759 629 S HN 0.883 nan 8.310 nan 0.000 0.523 630 T N 0.244 114.494 114.554 -0.506 0.000 3.085 630 T HA 0.220 4.568 4.350 -0.003 0.000 0.263 630 T C 0.573 175.062 174.700 -0.351 0.000 1.127 630 T CA -0.067 61.503 62.100 -0.883 0.000 1.103 630 T CB -0.618 67.429 68.868 -1.368 0.000 0.921 630 T HN 0.205 nan 8.240 nan 0.000 0.510 631 L N 1.960 123.088 121.223 -0.159 0.000 2.483 631 L HA 0.401 4.740 4.340 -0.003 0.000 0.276 631 L C 1.331 178.221 176.870 0.035 0.000 1.213 631 L CA -0.427 54.396 54.840 -0.028 0.000 0.843 631 L CB -0.028 42.049 42.059 0.031 0.000 1.107 631 L HN 0.289 nan 8.230 nan 0.000 0.487 632 G N 2.393 111.222 108.800 0.048 0.000 2.442 632 G HA2 0.400 4.358 3.960 -0.003 0.000 0.249 632 G HA3 0.400 4.358 3.960 -0.003 0.000 0.249 632 G C -0.591 174.307 174.900 -0.003 0.000 1.263 632 G CA -0.473 44.655 45.100 0.047 0.000 0.846 632 G HN 0.645 nan 8.290 nan 0.000 0.555 633 K N 1.373 121.752 120.400 -0.036 0.000 2.535 633 K HA 0.467 4.785 4.320 -0.003 0.000 0.250 633 K C -1.186 175.358 176.600 -0.095 0.000 0.948 633 K CA -0.504 55.694 56.287 -0.148 0.000 0.796 633 K CB 2.587 34.999 32.500 -0.145 0.000 1.216 633 K HN 0.367 nan 8.250 nan 0.000 0.432 634 I N 1.704 122.207 120.570 -0.111 0.000 2.499 634 I HA 0.242 4.411 4.170 -0.003 0.000 0.288 634 I C -0.638 175.458 176.117 -0.035 0.000 1.048 634 I CA -0.676 60.599 61.300 -0.042 0.000 1.062 634 I CB 2.238 40.237 38.000 -0.003 0.000 1.238 634 I HN 0.572 nan 8.210 nan 0.000 0.426 635 E N 6.531 126.725 120.200 -0.010 0.000 2.197 635 E HA 0.602 4.951 4.350 -0.003 0.000 0.281 635 E C -1.214 175.422 176.600 0.059 0.000 0.995 635 E CA -0.543 55.865 56.400 0.015 0.000 0.808 635 E CB 1.451 31.151 29.700 -0.000 0.000 1.093 635 E HN 0.450 nan 8.360 nan 0.000 0.394 636 I N 4.582 125.218 120.570 0.109 0.000 2.439 636 I HA 0.386 4.554 4.170 -0.003 0.000 0.285 636 I C -0.370 175.859 176.117 0.187 0.000 1.021 636 I CA -0.592 60.798 61.300 0.150 0.000 1.091 636 I CB 1.651 39.757 38.000 0.178 0.000 1.242 636 I HN 0.327 nan 8.210 nan 0.000 0.439 637 R N 4.691 125.268 120.500 0.129 0.000 2.513 637 R HA 0.829 5.167 4.340 -0.003 0.000 0.301 637 R C -0.764 175.593 176.300 0.094 0.000 0.968 637 R CA -0.468 55.701 56.100 0.116 0.000 0.872 637 R CB 2.115 32.456 30.300 0.069 0.000 1.177 637 R HN 0.873 nan 8.270 nan 0.000 0.444 638 G N 1.993 110.860 108.800 0.111 0.000 2.355 638 G HA2 0.050 4.008 3.960 -0.003 0.000 0.296 638 G HA3 0.050 4.008 3.960 -0.003 0.000 0.296 638 G C -0.536 174.417 174.900 0.088 0.000 1.507 638 G CA -0.829 44.315 45.100 0.074 0.000 0.823 638 G HN 0.540 nan 8.290 nan 0.000 0.569 639 K N -0.269 120.166 120.400 0.058 0.000 2.160 639 K HA -0.055 4.264 4.320 -0.003 0.000 0.206 639 K C 0.950 177.593 176.600 0.072 0.000 1.047 639 K CA 1.731 58.054 56.287 0.059 0.000 0.930 639 K CB 0.162 32.684 32.500 0.035 0.000 0.720 639 K HN 0.370 nan 8.250 nan 0.000 0.450 640 D N 0.158 120.593 120.400 0.059 0.000 2.328 640 D HA 0.124 4.762 4.640 -0.003 0.000 0.221 640 D C 1.491 177.853 176.300 0.103 0.000 1.072 640 D CA 0.290 54.323 54.000 0.054 0.000 0.850 640 D CB 0.374 41.177 40.800 0.005 0.000 0.922 640 D HN 0.200 nan 8.370 nan 0.000 0.516 641 A N 1.501 124.412 122.820 0.151 0.000 1.873 641 A HA -0.172 4.146 4.320 -0.003 0.000 0.218 641 A C 2.358 179.977 177.584 0.059 0.000 1.193 641 A CA 2.121 54.271 52.037 0.188 0.000 0.629 641 A CB -0.572 18.631 19.000 0.339 0.000 0.826 641 A HN 0.264 nan 8.150 nan 0.000 0.447 642 A N -0.474 122.425 122.820 0.132 0.000 1.933 642 A HA -0.129 4.189 4.320 -0.003 0.000 0.218 642 A C 1.991 179.571 177.584 -0.007 0.000 1.175 642 A CA 2.209 54.260 52.037 0.024 0.000 0.628 642 A CB -0.432 18.737 19.000 0.281 0.000 0.814 642 A HN 0.620 nan 8.150 nan 0.000 0.444 643 E N -0.899 119.325 120.200 0.041 0.000 2.076 643 E HA -0.131 4.217 4.350 -0.003 0.000 0.190 643 E C 1.639 178.231 176.600 -0.015 0.000 0.979 643 E CA 1.155 57.559 56.400 0.007 0.000 0.807 643 E CB -0.561 29.137 29.700 -0.003 0.000 0.761 643 E HN 0.439 nan 8.360 nan 0.000 0.454 644 F N 0.649 120.506 119.950 -0.156 0.000 2.091 644 F HA -0.157 4.368 4.527 -0.003 0.000 0.299 644 F C 1.704 177.399 175.800 -0.175 0.000 1.103 644 F CA 1.191 59.086 58.000 -0.176 0.000 1.228 644 F CB -0.539 38.402 39.000 -0.098 0.000 0.984 644 F HN 0.150 nan 8.300 nan 0.000 0.477 645 L N 0.551 121.590 121.223 -0.306 0.000 2.131 645 L HA -0.196 4.142 4.340 -0.003 0.000 0.210 645 L C 2.031 178.771 176.870 -0.217 0.000 1.092 645 L CA 1.402 55.983 54.840 -0.432 0.000 0.759 645 L CB -1.629 40.081 42.059 -0.583 0.000 0.903 645 L HN 0.131 nan 8.230 nan 0.000 0.435 646 N N -0.530 118.110 118.700 -0.100 0.000 2.309 646 N HA -0.102 4.636 4.740 -0.003 0.000 0.182 646 N C 1.870 177.370 175.510 -0.017 0.000 1.018 646 N CA 0.830 53.887 53.050 0.012 0.000 0.876 646 N CB -0.030 38.473 38.487 0.025 0.000 0.972 646 N HN 0.307 nan 8.380 nan 0.000 0.434 647 R N -0.742 119.669 120.500 -0.148 0.000 2.127 647 R HA 0.153 4.491 4.340 -0.003 0.000 0.217 647 R C 1.465 177.663 176.300 -0.170 0.000 1.074 647 R CA 0.718 56.724 56.100 -0.157 0.000 0.991 647 R CB 0.040 30.130 30.300 -0.350 0.000 0.895 647 R HN 0.198 nan 8.270 nan 0.000 0.450 648 M N -0.569 118.812 119.600 -0.364 0.000 2.299 648 M HA 0.061 4.539 4.480 -0.003 0.000 0.264 648 M C 0.395 176.499 176.300 -0.326 0.000 1.095 648 M CA 1.047 56.082 55.300 -0.441 0.000 1.165 648 M CB -0.354 31.781 32.600 -0.774 0.000 1.349 648 M HN -0.109 nan 8.290 nan 0.000 0.446 649 Y N 0.819 120.942 120.300 -0.296 0.000 2.307 649 Y HA 0.089 4.638 4.550 -0.003 0.000 0.324 649 Y C 2.069 177.683 175.900 -0.477 0.000 1.238 649 Y CA 0.026 57.947 58.100 -0.298 0.000 1.280 649 Y CB 0.522 38.841 38.460 -0.235 0.000 1.248 649 Y HN 0.288 nan 8.280 nan 0.000 0.508 650 T N -2.121 112.127 114.554 -0.511 0.000 2.867 650 T HA -0.100 4.248 4.350 -0.003 0.000 0.268 650 T C 0.437 174.686 174.700 -0.752 0.000 1.057 650 T CA 0.909 62.182 62.100 -1.378 0.000 1.136 650 T CB -0.453 67.941 68.868 -0.791 0.000 0.874 650 T HN 0.638 nan 8.240 nan 0.000 0.466 651 N N 1.356 119.902 118.700 -0.256 0.000 2.485 651 N HA 0.479 5.217 4.740 -0.003 0.000 0.280 651 N C 0.017 175.528 175.510 0.002 0.000 1.205 651 N CA -0.652 52.337 53.050 -0.102 0.000 0.959 651 N CB 0.892 39.316 38.487 -0.106 0.000 1.206 651 N HN 0.276 nan 8.380 nan 0.000 0.545 652 G N -1.046 107.719 108.800 -0.058 0.000 2.415 652 G HA2 0.373 4.331 3.960 -0.003 0.000 0.269 652 G HA3 0.373 4.331 3.960 -0.003 0.000 0.269 652 G C -0.885 173.880 174.900 -0.224 0.000 1.209 652 G CA -0.359 44.725 45.100 -0.026 0.000 0.835 652 G HN 0.635 nan 8.290 nan 0.000 0.534 653 Y N 0.129 120.402 120.300 -0.045 0.000 2.563 653 Y HA 0.078 4.627 4.550 -0.003 0.000 0.250 653 Y C 2.691 178.629 175.900 0.063 0.000 1.126 653 Y CA 0.423 58.505 58.100 -0.031 0.000 1.231 653 Y CB 0.833 39.196 38.460 -0.162 0.000 1.288 653 Y HN 0.654 nan 8.280 nan 0.000 0.537 654 T N -2.021 112.619 114.554 0.144 0.000 2.867 654 T HA -0.087 4.261 4.350 -0.003 0.000 0.268 654 T C 1.447 176.219 174.700 0.120 0.000 1.057 654 T CA 1.077 63.261 62.100 0.140 0.000 1.136 654 T CB 0.020 68.942 68.868 0.089 0.000 0.874 654 T HN -0.036 nan 8.240 nan 0.000 0.466 655 K N 0.579 121.021 120.400 0.071 0.000 2.358 655 K HA 0.396 4.714 4.320 -0.003 0.000 0.197 655 K C 0.433 177.054 176.600 0.036 0.000 1.025 655 K CA -0.392 55.921 56.287 0.044 0.000 1.104 655 K CB -0.335 32.175 32.500 0.017 0.000 0.855 655 K HN 0.353 nan 8.250 nan 0.000 0.531 656 L N 2.333 123.590 121.223 0.055 0.000 2.490 656 L HA -0.004 4.334 4.340 -0.003 0.000 0.274 656 L C -0.400 176.511 176.870 0.067 0.000 1.201 656 L CA 0.287 55.161 54.840 0.056 0.000 0.869 656 L CB 0.344 42.468 42.059 0.108 0.000 1.123 656 L HN -0.141 nan 8.230 nan 0.000 0.484 657 K N 3.580 123.995 120.400 0.025 0.000 2.205 657 K HA 0.365 4.683 4.320 -0.003 0.000 0.279 657 K C -0.764 175.825 176.600 -0.018 0.000 1.027 657 K CA -0.491 55.792 56.287 -0.007 0.000 0.932 657 K CB 1.178 33.657 32.500 -0.036 0.000 1.032 657 K HN 0.432 nan 8.250 nan 0.000 0.466 658 V N 2.876 122.762 119.914 -0.046 0.000 2.625 658 V HA 0.048 4.167 4.120 -0.003 0.000 0.305 658 V C 1.540 177.537 176.094 -0.161 0.000 1.055 658 V CA 1.761 64.019 62.300 -0.070 0.000 1.209 658 V CB -0.283 31.493 31.823 -0.078 0.000 0.877 658 V HN 1.021 nan 8.190 nan 0.000 0.489 659 G N 3.944 112.582 108.800 -0.270 0.000 2.175 659 G HA2 -0.180 3.779 3.960 -0.003 0.000 0.244 659 G HA3 -0.180 3.779 3.960 -0.003 0.000 0.244 659 G C -0.125 174.481 174.900 -0.490 0.000 0.982 659 G CA 0.089 44.658 45.100 -0.886 0.000 0.641 659 G HN 0.465 nan 8.290 nan 0.000 0.527 660 M N 0.159 119.740 119.600 -0.031 0.000 2.724 660 M HA 0.718 5.197 4.480 -0.003 0.000 0.310 660 M C 0.617 177.074 176.300 0.263 0.000 1.217 660 M CA -0.316 55.035 55.300 0.085 0.000 0.894 660 M CB 1.422 34.029 32.600 0.011 0.000 1.719 660 M HN 0.415 nan 8.290 nan 0.000 0.479 661 G N 0.604 109.512 108.800 0.180 0.000 2.511 661 G HA2 0.832 4.790 3.960 -0.003 0.000 0.318 661 G HA3 0.832 4.790 3.960 -0.003 0.000 0.318 661 G C -1.464 173.470 174.900 0.056 0.000 1.210 661 G CA -0.627 44.564 45.100 0.153 0.000 0.969 661 G HN 0.676 nan 8.290 nan 0.000 0.484 662 R N -0.355 120.192 120.500 0.078 0.000 2.548 662 R HA 0.366 4.704 4.340 -0.003 0.000 0.280 662 R C -1.879 174.461 176.300 0.067 0.000 1.061 662 R CA -0.845 55.260 56.100 0.008 0.000 0.915 662 R CB 1.711 31.894 30.300 -0.195 0.000 1.210 662 R HN 0.638 nan 8.270 nan 0.000 0.442 663 Y N 2.907 123.188 120.300 -0.032 0.000 2.359 663 Y HA 0.582 5.130 4.550 -0.003 0.000 0.330 663 Y C -0.211 175.681 175.900 -0.012 0.000 1.143 663 Y CA 0.869 58.962 58.100 -0.011 0.000 1.318 663 Y CB 1.321 39.785 38.460 0.006 0.000 1.234 663 Y HN 0.738 nan 8.280 nan 0.000 0.522 664 G N 3.585 111.873 108.800 -0.854 0.000 2.695 664 G HA2 0.585 4.543 3.960 -0.003 0.000 0.290 664 G HA3 0.585 4.543 3.960 -0.003 0.000 0.290 664 G C -2.273 172.280 174.900 -0.578 0.000 1.410 664 G CA -0.897 43.818 45.100 -0.642 0.000 0.844 664 G HN 0.639 nan 8.290 nan 0.000 0.478 665 V N 0.668 120.486 119.914 -0.159 0.000 2.656 665 V HA 0.567 4.685 4.120 -0.003 0.000 0.307 665 V C -0.151 175.924 176.094 -0.031 0.000 1.051 665 V CA -0.491 61.739 62.300 -0.116 0.000 0.893 665 V CB 1.739 33.489 31.823 -0.121 0.000 0.999 665 V HN 0.729 nan 8.190 nan 0.000 0.426 666 M N 3.775 123.294 119.600 -0.135 0.000 2.268 666 M HA 0.487 4.965 4.480 -0.003 0.000 0.344 666 M C -0.809 175.499 176.300 0.014 0.000 1.106 666 M CA -0.056 55.158 55.300 -0.143 0.000 1.010 666 M CB 1.474 33.921 32.600 -0.255 0.000 1.649 666 M HN 0.617 nan 8.290 nan 0.000 0.443 667 C N 2.444 121.796 119.300 0.086 0.000 2.399 667 C HA 0.553 5.011 4.460 -0.003 0.000 0.348 667 C C 0.595 175.638 174.990 0.090 0.000 1.183 667 C CA -1.223 57.872 59.018 0.127 0.000 2.023 667 C CB 1.421 29.261 27.740 0.167 0.000 2.361 667 C HN 0.707 nan 8.230 nan 0.000 0.521 668 K N 0.915 121.283 120.400 -0.054 0.000 2.118 668 K HA 0.299 4.617 4.320 -0.003 0.000 0.240 668 K C 1.112 177.800 176.600 0.147 0.000 1.035 668 K CA -0.053 56.158 56.287 -0.127 0.000 0.899 668 K CB 0.278 32.578 32.500 -0.332 0.000 1.085 668 K HN 0.765 nan 8.250 nan 0.000 0.498 669 A N 1.188 124.187 122.820 0.298 0.000 2.131 669 A HA -0.170 4.148 4.320 -0.003 0.000 0.220 669 A C 1.161 178.788 177.584 0.071 0.000 1.158 669 A CA 2.003 54.166 52.037 0.211 0.000 0.665 669 A CB -0.584 18.585 19.000 0.282 0.000 0.795 669 A HN 0.745 nan 8.150 nan 0.000 0.460 670 D N -2.078 118.354 120.400 0.054 0.000 2.349 670 D HA 0.241 4.879 4.640 -0.003 0.000 0.224 670 D C 1.192 177.512 176.300 0.033 0.000 1.029 670 D CA 0.855 54.875 54.000 0.033 0.000 0.879 670 D CB -0.702 40.120 40.800 0.036 0.000 0.906 670 D HN 0.709 nan 8.370 nan 0.000 0.528 671 G N -0.201 108.597 108.800 -0.003 0.000 2.179 671 G HA2 -0.277 3.682 3.960 -0.003 0.000 0.260 671 G HA3 -0.277 3.682 3.960 -0.003 0.000 0.260 671 G C 0.182 175.226 174.900 0.239 0.000 0.977 671 G CA 0.431 45.538 45.100 0.011 0.000 0.641 671 G HN 0.254 nan 8.290 nan 0.000 0.533 672 M N 0.805 120.497 119.600 0.153 0.000 2.211 672 M HA 0.434 4.912 4.480 -0.003 0.000 0.356 672 M C 1.174 177.562 176.300 0.148 0.000 1.216 672 M CA -1.238 54.155 55.300 0.155 0.000 1.134 672 M CB 0.510 33.173 32.600 0.106 0.000 1.564 672 M HN 0.129 nan 8.290 nan 0.000 0.463 673 I N 3.339 124.000 120.570 0.151 0.000 2.742 673 I HA -0.200 3.969 4.170 -0.003 0.000 0.287 673 I C 0.898 177.099 176.117 0.140 0.000 1.186 673 I CA 0.311 61.685 61.300 0.124 0.000 1.417 673 I CB 0.013 38.076 38.000 0.104 0.000 1.377 673 I HN 0.648 nan 8.210 nan 0.000 0.556 674 F N 5.982 125.880 119.950 -0.086 0.000 2.490 674 F HA 0.302 4.828 4.527 -0.003 0.000 0.280 674 F C 0.467 176.192 175.800 -0.124 0.000 1.030 674 F CA 0.391 58.297 58.000 -0.157 0.000 1.367 674 F CB 0.291 39.092 39.000 -0.330 0.000 1.131 674 F HN 0.502 nan 8.300 nan 0.000 0.632 675 D N -0.930 119.181 120.400 -0.482 0.000 2.692 675 D HA 0.341 4.979 4.640 -0.003 0.000 0.290 675 D C -2.088 174.041 176.300 -0.284 0.000 1.281 675 D CA -0.365 53.331 54.000 -0.506 0.000 0.804 675 D CB 1.807 42.068 40.800 -0.898 0.000 1.331 675 D HN 0.190 nan 8.370 nan 0.000 0.432 676 D N -0.199 120.079 120.400 -0.203 0.000 2.692 676 D HA 0.673 5.311 4.640 -0.003 0.000 0.290 676 D C -0.072 176.156 176.300 -0.121 0.000 1.281 676 D CA -0.322 53.579 54.000 -0.166 0.000 0.804 676 D CB 1.039 41.775 40.800 -0.108 0.000 1.331 676 D HN 0.740 nan 8.370 nan 0.000 0.432 677 G N -1.449 107.248 108.800 -0.172 0.000 2.368 677 G HA2 0.445 4.403 3.960 -0.003 0.000 0.269 677 G HA3 0.445 4.403 3.960 -0.003 0.000 0.269 677 G C -1.926 172.956 174.900 -0.030 0.000 1.291 677 G CA -0.128 44.950 45.100 -0.038 0.000 0.903 677 G HN 0.779 nan 8.290 nan 0.000 0.483 678 V N 0.597 120.550 119.914 0.064 0.000 2.495 678 V HA 0.731 4.849 4.120 -0.003 0.000 0.298 678 V C -0.164 176.039 176.094 0.182 0.000 1.031 678 V CA -0.429 61.921 62.300 0.083 0.000 0.871 678 V CB 1.732 33.571 31.823 0.026 0.000 0.988 678 V HN 0.848 nan 8.190 nan 0.000 0.432 679 T N 6.155 120.798 114.554 0.148 0.000 2.779 679 T HA 0.626 4.974 4.350 -0.003 0.000 0.280 679 T C -0.422 174.434 174.700 0.261 0.000 0.987 679 T CA -0.332 61.885 62.100 0.195 0.000 0.966 679 T CB 0.933 69.845 68.868 0.074 0.000 0.933 679 T HN 0.353 nan 8.240 nan 0.000 0.442 680 L N 3.053 124.397 121.223 0.201 0.000 2.289 680 L HA 0.548 4.886 4.340 -0.003 0.000 0.285 680 L C 0.721 177.677 176.870 0.143 0.000 1.049 680 L CA -0.880 54.025 54.840 0.109 0.000 0.804 680 L CB 1.069 42.953 42.059 -0.293 0.000 1.195 680 L HN 0.415 nan 8.230 nan 0.000 0.428 681 R N 3.295 123.909 120.500 0.190 0.000 2.220 681 R HA 0.271 4.610 4.340 -0.003 0.000 0.340 681 R C 0.577 176.896 176.300 0.031 0.000 1.076 681 R CA -0.288 55.694 56.100 -0.197 0.000 0.920 681 R CB 0.517 30.658 30.300 -0.266 0.000 1.062 681 R HN 0.777 nan 8.270 nan 0.000 0.469 682 L N 2.897 124.060 121.223 -0.100 0.000 2.240 682 L HA 0.211 4.549 4.340 -0.003 0.000 0.211 682 L C 0.856 177.751 176.870 0.041 0.000 1.106 682 L CA 0.734 55.632 54.840 0.095 0.000 0.793 682 L CB -0.117 41.926 42.059 -0.027 0.000 0.927 682 L HN 0.728 nan 8.230 nan 0.000 0.446 683 A N -1.335 121.414 122.820 -0.118 0.000 2.506 683 A HA 0.233 4.552 4.320 -0.003 0.000 0.305 683 A C 0.462 177.942 177.584 -0.174 0.000 1.166 683 A CA -0.502 51.478 52.037 -0.096 0.000 0.638 683 A CB 0.674 19.645 19.000 -0.049 0.000 1.336 683 A HN -0.066 nan 8.150 nan 0.000 0.493 684 E N -0.586 119.559 120.200 -0.091 0.000 2.152 684 E HA -0.110 4.238 4.350 -0.003 0.000 0.192 684 E C -0.455 176.126 176.600 -0.031 0.000 0.983 684 E CA 1.173 57.537 56.400 -0.061 0.000 0.818 684 E CB 0.137 29.833 29.700 -0.008 0.000 0.758 684 E HN 0.501 nan 8.360 nan 0.000 0.467 685 D N 0.027 120.417 120.400 -0.017 0.000 2.788 685 D HA 0.175 4.813 4.640 -0.003 0.000 0.289 685 D C -0.492 175.860 176.300 0.086 0.000 1.340 685 D CA -0.017 54.034 54.000 0.086 0.000 0.831 685 D CB 0.493 41.341 40.800 0.081 0.000 1.103 685 D HN -0.120 nan 8.370 nan 0.000 0.476 686 R N 0.768 121.225 120.500 -0.072 0.000 2.542 686 R HA 0.333 4.672 4.340 -0.003 0.000 0.284 686 R C -1.743 174.432 176.300 -0.209 0.000 1.167 686 R CA -0.366 55.721 56.100 -0.023 0.000 1.000 686 R CB 0.864 31.141 30.300 -0.039 0.000 1.229 686 R HN -0.116 nan 8.270 nan 0.000 0.416 687 F N 2.914 122.886 119.950 0.037 0.000 2.577 687 F HA 0.518 5.043 4.527 -0.003 0.000 0.318 687 F C -0.350 175.433 175.800 -0.027 0.000 1.065 687 F CA -1.107 56.905 58.000 0.021 0.000 0.929 687 F CB 1.910 40.930 39.000 0.034 0.000 1.237 687 F HN 0.222 nan 8.300 nan 0.000 0.468 688 L N 4.181 125.475 121.223 0.117 0.000 2.343 688 L HA 0.557 4.895 4.340 -0.003 0.000 0.278 688 L C -0.949 175.890 176.870 -0.052 0.000 0.996 688 L CA -0.530 54.287 54.840 -0.037 0.000 0.831 688 L CB 1.284 43.258 42.059 -0.143 0.000 1.232 688 L HN 0.709 nan 8.230 nan 0.000 0.413 689 M N 4.195 123.741 119.600 -0.091 0.000 2.238 689 M HA 0.438 4.916 4.480 -0.003 0.000 0.350 689 M C -1.329 174.840 176.300 -0.218 0.000 1.138 689 M CA -0.299 54.971 55.300 -0.051 0.000 1.040 689 M CB 0.773 33.370 32.600 -0.003 0.000 1.639 689 M HN 0.710 nan 8.290 nan 0.000 0.451 690 H N 1.925 120.997 119.070 0.002 0.000 2.458 690 H HA 0.522 5.076 4.556 -0.003 0.000 0.330 690 H C 0.071 175.375 175.328 -0.039 0.000 1.111 690 H CA -0.262 55.773 56.048 -0.022 0.000 1.245 690 H CB 1.495 31.235 29.762 -0.036 0.000 1.456 690 H HN 0.708 nan 8.280 nan 0.000 0.488 691 T N -1.061 113.516 114.554 0.038 0.000 2.905 691 T HA 0.406 4.754 4.350 -0.003 0.000 0.283 691 T C 0.441 175.123 174.700 -0.030 0.000 1.031 691 T CA -0.777 61.302 62.100 -0.033 0.000 1.002 691 T CB 0.975 69.799 68.868 -0.073 0.000 1.200 691 T HN 0.660 nan 8.240 nan 0.000 0.560 692 T N -0.842 113.673 114.554 -0.066 0.000 2.855 692 T HA 0.154 4.502 4.350 -0.003 0.000 0.314 692 T C 1.367 176.068 174.700 0.002 0.000 1.077 692 T CA 0.223 62.300 62.100 -0.038 0.000 1.095 692 T CB -0.259 68.584 68.868 -0.042 0.000 0.987 692 T HN 0.656 nan 8.240 nan 0.000 0.546 693 T N 1.876 116.441 114.554 0.018 0.000 2.821 693 T HA 0.057 4.405 4.350 -0.003 0.000 0.267 693 T C 2.222 177.005 174.700 0.137 0.000 1.046 693 T CA 1.410 63.537 62.100 0.045 0.000 1.139 693 T CB -0.864 67.985 68.868 -0.032 0.000 0.871 693 T HN 0.872 nan 8.240 nan 0.000 0.454 694 G N 0.286 109.144 108.800 0.098 0.000 2.484 694 G HA2 0.121 4.080 3.960 -0.003 0.000 0.218 694 G HA3 0.121 4.080 3.960 -0.003 0.000 0.218 694 G C 1.347 176.282 174.900 0.059 0.000 1.130 694 G CA 0.707 45.864 45.100 0.095 0.000 0.784 694 G HN 0.567 nan 8.290 nan 0.000 0.543 695 G N -0.232 108.574 108.800 0.010 0.000 3.159 695 G HA2 0.405 4.363 3.960 -0.003 0.000 0.232 695 G HA3 0.405 4.363 3.960 -0.003 0.000 0.232 695 G C 1.548 176.441 174.900 -0.012 0.000 1.116 695 G CA 1.104 46.178 45.100 -0.044 0.000 0.767 695 G HN 0.437 nan 8.290 nan 0.000 0.547 696 A N 1.629 124.471 122.820 0.036 0.000 1.859 696 A HA 0.148 4.466 4.320 -0.003 0.000 0.217 696 A C 2.756 180.377 177.584 0.062 0.000 1.198 696 A CA 2.439 54.505 52.037 0.048 0.000 0.629 696 A CB -0.890 18.162 19.000 0.086 0.000 0.830 696 A HN 0.799 nan 8.150 nan 0.000 0.446 697 A N -0.603 122.261 122.820 0.072 0.000 1.969 697 A HA -0.127 4.191 4.320 -0.003 0.000 0.218 697 A C 1.720 179.371 177.584 0.111 0.000 1.169 697 A CA 1.835 53.917 52.037 0.075 0.000 0.635 697 A CB -0.564 18.466 19.000 0.052 0.000 0.810 697 A HN 0.489 nan 8.150 nan 0.000 0.445 698 D N -0.219 120.260 120.400 0.131 0.000 2.117 698 D HA -0.098 4.541 4.640 -0.003 0.000 0.197 698 D C 2.050 178.557 176.300 0.345 0.000 0.987 698 D CA 1.355 55.488 54.000 0.221 0.000 0.829 698 D CB -0.393 40.564 40.800 0.262 0.000 0.961 698 D HN 0.219 nan 8.370 nan 0.000 0.460 699 V N 1.089 121.141 119.914 0.230 0.000 2.307 699 V HA -0.198 3.920 4.120 -0.003 0.000 0.245 699 V C 2.442 178.714 176.094 0.296 0.000 1.045 699 V CA 1.032 63.480 62.300 0.247 0.000 1.024 699 V CB -0.447 31.378 31.823 0.003 0.000 0.651 699 V HN 0.141 nan 8.190 nan 0.000 0.449 700 L N 0.641 121.977 121.223 0.187 0.000 2.012 700 L HA -0.195 4.143 4.340 -0.003 0.000 0.210 700 L C 2.094 179.087 176.870 0.204 0.000 1.073 700 L CA 2.158 57.100 54.840 0.170 0.000 0.748 700 L CB -1.080 41.042 42.059 0.105 0.000 0.891 700 L HN 0.313 nan 8.230 nan 0.000 0.431 701 D N -0.972 119.551 120.400 0.204 0.000 2.123 701 D HA -0.289 4.349 4.640 -0.003 0.000 0.196 701 D C 1.895 178.353 176.300 0.263 0.000 0.992 701 D CA 1.599 55.710 54.000 0.185 0.000 0.833 701 D CB -0.602 40.292 40.800 0.156 0.000 0.954 701 D HN 0.642 nan 8.370 nan 0.000 0.455 702 W N 1.648 123.039 121.300 0.152 0.000 2.333 702 W HA -0.213 4.445 4.660 -0.003 0.000 0.316 702 W C 1.891 178.632 176.519 0.370 0.000 1.215 702 W CA 0.893 58.375 57.345 0.228 0.000 1.278 702 W CB -0.358 29.283 29.460 0.301 0.000 1.154 702 W HN -0.009 nan 8.180 nan 0.000 0.486 703 L N 0.559 122.021 121.223 0.398 0.000 2.012 703 L HA -0.259 4.079 4.340 -0.003 0.000 0.210 703 L C 2.656 179.688 176.870 0.270 0.000 1.073 703 L CA 1.517 56.585 54.840 0.380 0.000 0.748 703 L CB -1.123 41.171 42.059 0.391 0.000 0.891 703 L HN -0.069 nan 8.230 nan 0.000 0.431 704 E N -0.041 120.255 120.200 0.161 0.000 2.150 704 E HA -0.244 4.104 4.350 -0.003 0.000 0.193 704 E C 1.981 178.570 176.600 -0.020 0.000 0.985 704 E CA 0.924 57.357 56.400 0.054 0.000 0.814 704 E CB -0.028 29.698 29.700 0.042 0.000 0.752 704 E HN 0.533 nan 8.360 nan 0.000 0.466 705 E N -0.219 119.952 120.200 -0.049 0.000 2.051 705 E HA -0.182 4.166 4.350 -0.003 0.000 0.192 705 E C 1.772 178.139 176.600 -0.388 0.000 0.991 705 E CA 1.043 57.299 56.400 -0.240 0.000 0.799 705 E CB -0.073 29.437 29.700 -0.317 0.000 0.748 705 E HN 0.243 nan 8.360 nan 0.000 0.449 706 W N 0.816 121.891 121.300 -0.376 0.000 2.379 706 W HA -0.064 4.595 4.660 -0.003 0.000 0.307 706 W C 2.278 178.591 176.519 -0.343 0.000 1.200 706 W CA 0.557 57.595 57.345 -0.513 0.000 1.297 706 W CB -0.477 28.680 29.460 -0.504 0.000 1.140 706 W HN 0.097 nan 8.180 nan 0.000 0.507 707 L N -0.078 121.163 121.223 0.031 0.000 2.012 707 L HA -0.294 4.045 4.340 -0.003 0.000 0.210 707 L C 2.443 179.267 176.870 -0.078 0.000 1.073 707 L CA 1.588 56.381 54.840 -0.079 0.000 0.748 707 L CB -1.015 40.918 42.059 -0.210 0.000 0.891 707 L HN 0.105 nan 8.230 nan 0.000 0.431 708 Q N -1.196 118.539 119.800 -0.107 0.000 2.212 708 Q HA -0.105 4.233 4.340 -0.003 0.000 0.199 708 Q C 2.159 178.078 176.000 -0.135 0.000 0.950 708 Q CA 1.770 57.511 55.803 -0.104 0.000 0.863 708 Q CB 0.119 28.800 28.738 -0.095 0.000 0.944 708 Q HN 0.649 nan 8.270 nan 0.000 0.465 709 T N -2.730 111.694 114.554 -0.216 0.000 3.015 709 T HA 0.121 4.469 4.350 -0.003 0.000 0.250 709 T C 1.427 175.948 174.700 -0.299 0.000 1.057 709 T CA 0.099 62.047 62.100 -0.254 0.000 1.066 709 T CB 0.368 69.048 68.868 -0.313 0.000 0.959 709 T HN -0.009 nan 8.240 nan 0.000 0.488 710 E N -0.138 119.827 120.200 -0.391 0.000 2.306 710 E HA 0.150 4.498 4.350 -0.003 0.000 0.201 710 E C -0.014 176.433 176.600 -0.255 0.000 0.874 710 E CA 0.316 56.420 56.400 -0.492 0.000 0.972 710 E CB 0.498 29.629 29.700 -0.949 0.000 0.957 710 E HN 0.589 nan 8.360 nan 0.000 0.492 711 W N 3.077 124.386 121.300 0.016 0.000 1.602 711 W HA 0.305 4.963 4.660 -0.003 0.000 0.294 711 W C -2.022 174.460 176.519 -0.061 0.000 0.838 711 W CA -2.122 55.219 57.345 -0.006 0.000 2.320 711 W CB 0.413 29.888 29.460 0.024 0.000 2.318 711 W HN 0.004 nan 8.180 nan 0.000 0.467 712 P HA -0.186 nan 4.420 nan 0.000 0.226 712 P C 1.358 178.674 177.300 0.026 0.000 1.153 712 P CA 1.666 64.781 63.100 0.026 0.000 0.777 712 P CB 0.207 31.907 31.700 -0.000 0.000 0.794 713 E N 0.356 120.588 120.200 0.054 0.000 2.358 713 E HA -0.052 4.296 4.350 -0.003 0.000 0.195 713 E C 0.675 177.282 176.600 0.010 0.000 1.010 713 E CA 0.133 56.551 56.400 0.030 0.000 0.856 713 E CB -0.739 28.984 29.700 0.039 0.000 0.795 713 E HN 0.309 nan 8.360 nan 0.000 0.504 714 L N 2.513 123.741 121.223 0.008 0.000 2.416 714 L HA 0.090 4.428 4.340 -0.003 0.000 0.272 714 L C 0.261 177.100 176.870 -0.051 0.000 1.161 714 L CA -0.374 54.444 54.840 -0.036 0.000 0.845 714 L CB 0.496 42.508 42.059 -0.078 0.000 1.119 714 L HN -0.065 nan 8.230 nan 0.000 0.464 715 D N 3.612 123.991 120.400 -0.035 0.000 2.453 715 D HA 0.340 4.979 4.640 -0.003 0.000 0.223 715 D C -1.037 175.244 176.300 -0.032 0.000 1.183 715 D CA -0.052 53.932 54.000 -0.025 0.000 0.933 715 D CB 0.431 41.230 40.800 -0.003 0.000 1.038 715 D HN 0.077 nan 8.370 nan 0.000 0.513 716 V N 3.065 122.936 119.914 -0.072 0.000 2.668 716 V HA 0.453 4.571 4.120 -0.003 0.000 0.304 716 V C -0.138 175.916 176.094 -0.066 0.000 1.071 716 V CA -0.812 61.442 62.300 -0.077 0.000 0.894 716 V CB 2.246 33.929 31.823 -0.233 0.000 1.008 716 V HN 0.466 nan 8.190 nan 0.000 0.425 717 T N 3.272 117.821 114.554 -0.008 0.000 2.841 717 T HA 0.525 4.873 4.350 -0.003 0.000 0.285 717 T C -0.511 174.207 174.700 0.031 0.000 0.991 717 T CA -0.344 61.758 62.100 0.002 0.000 0.966 717 T CB 1.222 70.094 68.868 0.008 0.000 0.962 717 T HN 0.726 nan 8.240 nan 0.000 0.438 718 C N 2.511 121.829 119.300 0.030 0.000 2.435 718 C HA 0.924 5.382 4.460 -0.003 0.000 0.333 718 C C 0.314 175.324 174.990 0.033 0.000 1.202 718 C CA -0.636 58.412 59.018 0.050 0.000 1.830 718 C CB 1.327 29.112 27.740 0.076 0.000 2.326 718 C HN 0.921 nan 8.230 nan 0.000 0.507 719 T N 0.970 115.542 114.554 0.030 0.000 3.032 719 T HA 0.285 4.634 4.350 -0.003 0.000 0.312 719 T C -0.558 174.148 174.700 0.011 0.000 1.078 719 T CA -0.251 61.858 62.100 0.016 0.000 1.028 719 T CB 1.629 70.501 68.868 0.008 0.000 1.091 719 T HN 0.725 nan 8.240 nan 0.000 0.457 720 S N 1.610 117.316 115.700 0.010 0.000 2.531 720 S HA 0.317 4.785 4.470 -0.003 0.000 0.279 720 S C 0.989 175.585 174.600 -0.007 0.000 1.305 720 S CA -0.428 57.776 58.200 0.006 0.000 1.058 720 S CB 0.001 63.210 63.200 0.015 0.000 0.899 720 S HN 0.751 nan 8.310 nan 0.000 0.493 721 V N 2.736 122.641 119.914 -0.016 0.000 3.166 721 V HA 0.268 4.386 4.120 -0.003 0.000 0.332 721 V C 1.432 177.520 176.094 -0.010 0.000 1.434 721 V CA 0.078 62.363 62.300 -0.024 0.000 1.121 721 V CB -0.680 31.119 31.823 -0.039 0.000 1.062 721 V HN 0.742 nan 8.190 nan 0.000 0.489 722 T N 1.382 115.946 114.554 0.016 0.000 2.624 722 T HA -0.219 4.129 4.350 -0.003 0.000 0.268 722 T C 1.598 176.348 174.700 0.084 0.000 1.041 722 T CA 2.679 64.815 62.100 0.060 0.000 1.159 722 T CB -0.186 68.746 68.868 0.106 0.000 0.863 722 T HN 0.695 nan 8.240 nan 0.000 0.434 723 E N 0.176 120.419 120.200 0.072 0.000 2.442 723 E HA -0.021 4.327 4.350 -0.003 0.000 0.195 723 E C 2.212 178.811 176.600 -0.002 0.000 1.030 723 E CA 0.181 56.626 56.400 0.076 0.000 0.869 723 E CB 0.005 29.742 29.700 0.063 0.000 0.857 723 E HN 0.376 nan 8.360 nan 0.000 0.505 724 Q N 0.718 120.495 119.800 -0.039 0.000 2.123 724 Q HA -0.017 4.322 4.340 -0.003 0.000 0.199 724 Q C 0.438 176.387 176.000 -0.084 0.000 0.966 724 Q CA 0.869 56.611 55.803 -0.103 0.000 0.845 724 Q CB 0.224 28.903 28.738 -0.099 0.000 0.907 724 Q HN 0.132 nan 8.270 nan 0.000 0.439 725 L N 1.403 122.613 121.223 -0.022 0.000 2.272 725 L HA 0.636 4.974 4.340 -0.003 0.000 0.289 725 L C -0.165 176.728 176.870 0.037 0.000 1.032 725 L CA -0.914 53.934 54.840 0.013 0.000 0.810 725 L CB 1.361 43.439 42.059 0.031 0.000 1.205 725 L HN 0.116 nan 8.230 nan 0.000 0.422 726 A N 2.784 125.638 122.820 0.056 0.000 2.272 726 A HA 0.773 5.091 4.320 -0.003 0.000 0.275 726 A C -0.054 177.577 177.584 0.078 0.000 1.096 726 A CA -0.157 51.920 52.037 0.068 0.000 0.822 726 A CB 0.713 19.769 19.000 0.093 0.000 1.088 726 A HN 0.656 nan 8.150 nan 0.000 0.495 727 T N 0.295 114.893 114.554 0.074 0.000 3.071 727 T HA 0.467 4.815 4.350 -0.003 0.000 0.311 727 T C -1.120 173.656 174.700 0.126 0.000 1.042 727 T CA -0.348 61.805 62.100 0.089 0.000 1.028 727 T CB 1.248 70.153 68.868 0.061 0.000 1.068 727 T HN 0.543 nan 8.240 nan 0.000 0.451 728 V N 2.496 122.502 119.914 0.154 0.000 2.347 728 V HA 0.745 4.864 4.120 -0.003 0.000 0.280 728 V C 0.391 176.559 176.094 0.123 0.000 1.021 728 V CA -0.950 61.467 62.300 0.195 0.000 0.847 728 V CB 1.142 33.073 31.823 0.180 0.000 0.990 728 V HN 1.079 nan 8.190 nan 0.000 0.444 729 A N 5.219 128.110 122.820 0.118 0.000 2.269 729 A HA 0.699 5.017 4.320 -0.003 0.000 0.302 729 A C -0.322 177.326 177.584 0.106 0.000 1.266 729 A CA -0.383 51.719 52.037 0.108 0.000 0.894 729 A CB 0.572 19.640 19.000 0.113 0.000 1.147 729 A HN 0.728 nan 8.150 nan 0.000 0.537 730 V N 4.101 124.087 119.914 0.120 0.000 2.333 730 V HA 0.440 4.559 4.120 -0.003 0.000 0.274 730 V C -0.196 175.998 176.094 0.167 0.000 1.028 730 V CA -0.389 61.974 62.300 0.106 0.000 0.851 730 V CB 0.866 32.718 31.823 0.048 0.000 1.000 730 V HN 0.594 nan 8.190 nan 0.000 0.456 731 V N 3.670 123.686 119.914 0.170 0.000 2.656 731 V HA 1.029 5.147 4.120 -0.003 0.000 0.307 731 V C 0.434 176.578 176.094 0.084 0.000 1.051 731 V CA 0.246 62.640 62.300 0.157 0.000 0.893 731 V CB 1.341 33.306 31.823 0.238 0.000 0.999 731 V HN 1.304 nan 8.190 nan 0.000 0.426 732 G N 5.487 114.316 108.800 0.047 0.000 2.440 732 G HA2 0.014 3.973 3.960 -0.003 0.000 0.684 732 G HA3 0.014 3.973 3.960 -0.003 0.000 0.684 732 G C -2.356 172.537 174.900 -0.011 0.000 1.309 732 G CA -0.143 44.958 45.100 0.001 0.000 0.931 732 G HN 0.500 nan 8.290 nan 0.000 0.612 733 P HA -0.095 nan 4.420 nan 0.000 0.218 733 P C 1.264 178.498 177.300 -0.110 0.000 1.148 733 P CA 0.992 64.059 63.100 -0.056 0.000 0.822 733 P CB 0.095 31.762 31.700 -0.056 0.000 0.784 734 R N 0.218 120.611 120.500 -0.178 0.000 2.335 734 R HA 0.119 4.457 4.340 -0.003 0.000 0.223 734 R C 2.078 178.205 176.300 -0.289 0.000 0.940 734 R CA 0.382 56.256 56.100 -0.376 0.000 1.086 734 R CB -1.289 28.608 30.300 -0.672 0.000 1.073 734 R HN 0.360 nan 8.270 nan 0.000 0.504 735 S N 0.116 115.765 115.700 -0.085 0.000 2.368 735 S HA -0.143 4.326 4.470 -0.003 0.000 0.224 735 S C 2.007 176.548 174.600 -0.098 0.000 1.029 735 S CA 0.448 58.657 58.200 0.015 0.000 0.988 735 S CB -0.158 63.178 63.200 0.227 0.000 0.838 735 S HN 0.233 nan 8.310 nan 0.000 0.462 736 R N 1.455 121.954 120.500 -0.001 0.000 2.134 736 R HA -0.169 4.169 4.340 -0.003 0.000 0.248 736 R C 1.894 178.021 176.300 -0.289 0.000 1.143 736 R CA 2.288 58.283 56.100 -0.176 0.000 0.957 736 R CB -0.579 29.718 30.300 -0.004 0.000 0.867 736 R HN 0.598 nan 8.270 nan 0.000 0.441 737 D N -0.551 119.692 120.400 -0.261 0.000 2.117 737 D HA -0.114 4.524 4.640 -0.003 0.000 0.198 737 D C 1.964 178.212 176.300 -0.086 0.000 0.982 737 D CA 1.300 55.174 54.000 -0.211 0.000 0.828 737 D CB -0.024 40.497 40.800 -0.466 0.000 0.967 737 D HN 0.120 nan 8.370 nan 0.000 0.464 738 V N 2.163 122.010 119.914 -0.112 0.000 2.295 738 V HA -0.226 3.893 4.120 -0.003 0.000 0.246 738 V C 2.571 178.581 176.094 -0.140 0.000 1.049 738 V CA 1.060 63.337 62.300 -0.039 0.000 1.024 738 V CB -0.335 31.463 31.823 -0.041 0.000 0.648 738 V HN 0.159 nan 8.190 nan 0.000 0.447 739 I N 0.878 121.269 120.570 -0.299 0.000 2.179 739 I HA -0.231 3.937 4.170 -0.003 0.000 0.242 739 I C 2.803 178.769 176.117 -0.252 0.000 1.088 739 I CA 1.959 63.025 61.300 -0.391 0.000 1.357 739 I CB -1.770 35.690 38.000 -0.900 0.000 1.051 739 I HN 0.319 nan 8.210 nan 0.000 0.409 740 A N 1.002 123.687 122.820 -0.226 0.000 1.958 740 A HA -0.253 4.065 4.320 -0.003 0.000 0.221 740 A C 2.279 179.825 177.584 -0.063 0.000 1.178 740 A CA 1.843 53.812 52.037 -0.113 0.000 0.642 740 A CB -0.608 18.345 19.000 -0.080 0.000 0.816 740 A HN 0.443 nan 8.150 nan 0.000 0.453 741 K N -1.001 119.369 120.400 -0.051 0.000 2.288 741 K HA 0.077 4.396 4.320 -0.003 0.000 0.201 741 K C 1.569 178.148 176.600 -0.034 0.000 1.048 741 K CA 0.958 57.229 56.287 -0.026 0.000 0.956 741 K CB -0.173 32.323 32.500 -0.006 0.000 0.746 741 K HN 0.485 nan 8.250 nan 0.000 0.461 742 L N -0.055 121.138 121.223 -0.051 0.000 2.354 742 L HA 0.103 4.442 4.340 -0.003 0.000 0.212 742 L C 0.622 177.477 176.870 -0.026 0.000 1.091 742 L CA -0.051 54.765 54.840 -0.040 0.000 0.828 742 L CB 0.448 42.477 42.059 -0.050 0.000 0.973 742 L HN -0.050 nan 8.230 nan 0.000 0.461 743 A N -1.007 121.795 122.820 -0.030 0.000 2.483 743 A HA 0.408 4.726 4.320 -0.003 0.000 0.308 743 A C 1.017 178.597 177.584 -0.008 0.000 1.291 743 A CA -0.078 51.955 52.037 -0.008 0.000 0.774 743 A CB 0.654 19.659 19.000 0.009 0.000 1.134 743 A HN 0.202 nan 8.150 nan 0.000 0.471 744 S N 1.629 117.326 115.700 -0.004 0.000 2.348 744 S HA -0.168 4.300 4.470 -0.003 0.000 0.221 744 S C 1.663 176.265 174.600 0.004 0.000 1.033 744 S CA 1.867 60.065 58.200 -0.003 0.000 1.010 744 S CB -0.657 62.542 63.200 -0.002 0.000 0.891 744 S HN 1.495 nan 8.310 nan 0.000 0.442 745 S N 1.134 116.840 115.700 0.009 0.000 2.803 745 S HA 0.351 4.820 4.470 -0.003 0.000 0.228 745 S C 0.330 174.945 174.600 0.024 0.000 0.953 745 S CA -0.578 57.630 58.200 0.014 0.000 0.983 745 S CB -0.548 62.659 63.200 0.011 0.000 0.784 745 S HN 0.384 nan 8.310 nan 0.000 0.498 746 L N 2.845 124.087 121.223 0.031 0.000 2.290 746 L HA 0.394 4.732 4.340 -0.003 0.000 0.284 746 L C -0.089 176.827 176.870 0.076 0.000 1.078 746 L CA 0.108 54.986 54.840 0.063 0.000 0.815 746 L CB 1.080 43.191 42.059 0.087 0.000 1.162 746 L HN 0.271 nan 8.230 nan 0.000 0.435 747 D N 3.429 123.888 120.400 0.098 0.000 2.352 747 D HA 0.069 4.707 4.640 -0.003 0.000 0.245 747 D C 0.832 177.260 176.300 0.213 0.000 1.224 747 D CA -0.117 53.947 54.000 0.108 0.000 0.879 747 D CB 1.104 41.949 40.800 0.076 0.000 1.057 747 D HN 0.366 nan 8.370 nan 0.000 0.491 748 V N 1.809 121.819 119.914 0.161 0.000 3.542 748 V HA 0.168 4.286 4.120 -0.003 0.000 0.296 748 V C 0.782 176.991 176.094 0.192 0.000 1.364 748 V CA -0.077 62.337 62.300 0.191 0.000 1.118 748 V CB -0.845 30.944 31.823 -0.058 0.000 0.972 748 V HN 0.444 nan 8.190 nan 0.000 0.430 749 S N 0.547 116.339 115.700 0.154 0.000 2.566 749 S HA -0.012 4.457 4.470 -0.003 0.000 0.280 749 S C 1.258 175.952 174.600 0.157 0.000 1.343 749 S CA 0.637 58.908 58.200 0.118 0.000 1.036 749 S CB 0.290 63.537 63.200 0.079 0.000 0.866 749 S HN 0.646 nan 8.310 nan 0.000 0.526 750 N N 2.158 120.925 118.700 0.111 0.000 2.037 750 N HA -0.280 4.458 4.740 -0.003 0.000 0.196 750 N C 1.289 176.866 175.510 0.111 0.000 1.034 750 N CA 2.323 55.437 53.050 0.107 0.000 0.861 750 N CB -0.565 37.954 38.487 0.055 0.000 1.039 750 N HN 0.954 nan 8.380 nan 0.000 0.427 751 D N -0.409 120.037 120.400 0.077 0.000 2.224 751 D HA -0.002 4.636 4.640 -0.003 0.000 0.205 751 D C 1.701 178.038 176.300 0.062 0.000 0.965 751 D CA 1.050 55.085 54.000 0.058 0.000 0.852 751 D CB -0.160 40.659 40.800 0.030 0.000 0.947 751 D HN 0.308 nan 8.370 nan 0.000 0.494 752 A N -0.801 122.071 122.820 0.087 0.000 2.123 752 A HA 0.182 4.500 4.320 -0.003 0.000 0.214 752 A C 0.566 178.207 177.584 0.094 0.000 1.152 752 A CA 0.094 52.174 52.037 0.072 0.000 0.728 752 A CB -0.377 18.669 19.000 0.076 0.000 0.814 752 A HN 0.371 nan 8.150 nan 0.000 0.464 753 F N 0.672 120.652 119.950 0.050 0.000 2.959 753 F HA 0.339 4.864 4.527 -0.003 0.000 0.379 753 F C -0.032 175.802 175.800 0.056 0.000 1.215 753 F CA -0.873 57.170 58.000 0.071 0.000 1.190 753 F CB 0.756 39.852 39.000 0.160 0.000 1.574 753 F HN -0.094 nan 8.300 nan 0.000 0.575 754 K N 2.384 122.946 120.400 0.271 0.000 2.120 754 K HA 0.184 4.502 4.320 -0.003 0.000 0.245 754 K C -0.345 176.403 176.600 0.246 0.000 1.024 754 K CA -0.650 55.759 56.287 0.204 0.000 0.906 754 K CB 0.762 33.328 32.500 0.109 0.000 1.051 754 K HN 0.388 nan 8.250 nan 0.000 0.491 755 F N 2.458 122.430 119.950 0.035 0.000 2.608 755 F HA -0.109 4.417 4.527 -0.002 0.000 0.380 755 F C 0.597 176.415 175.800 0.031 0.000 1.083 755 F CA 0.675 58.675 58.000 0.000 0.000 1.266 755 F CB 0.061 39.045 39.000 -0.026 0.000 1.076 755 F HN 0.501 nan 8.300 nan 0.000 0.574 756 M N 2.969 122.217 119.600 -0.588 0.000 2.872 756 M HA -0.233 4.245 4.480 -0.003 0.000 0.200 756 M C -0.284 175.965 176.300 -0.086 0.000 0.582 756 M CA 1.115 56.148 55.300 -0.444 0.000 0.706 756 M CB -2.651 29.589 32.600 -0.600 0.000 2.560 756 M HN 0.713 nan 8.290 nan 0.000 0.476 757 A N 0.245 123.088 122.820 0.038 0.000 2.299 757 A HA 0.957 5.275 4.320 -0.003 0.000 0.332 757 A C -0.339 177.392 177.584 0.245 0.000 1.131 757 A CA -0.531 51.536 52.037 0.050 0.000 0.844 757 A CB 1.158 20.125 19.000 -0.055 0.000 1.251 757 A HN 0.571 nan 8.150 nan 0.000 0.486 758 F N -1.450 118.516 119.950 0.026 0.000 2.620 758 F HA 0.800 5.326 4.527 -0.003 0.000 0.320 758 F C -0.583 175.164 175.800 -0.087 0.000 1.069 758 F CA -0.855 57.202 58.000 0.094 0.000 0.953 758 F CB 1.494 40.552 39.000 0.096 0.000 1.322 758 F HN 0.545 nan 8.300 nan 0.000 0.479 759 Q N 0.872 120.770 119.800 0.163 0.000 2.359 759 Q HA 0.297 4.635 4.340 -0.003 0.000 0.274 759 Q C -1.900 174.236 176.000 0.227 0.000 1.074 759 Q CA -1.081 54.724 55.803 0.003 0.000 0.810 759 Q CB 2.961 31.581 28.738 -0.196 0.000 1.342 759 Q HN 0.576 nan 8.270 nan 0.000 0.427 760 D N 2.344 122.849 120.400 0.174 0.000 2.325 760 D HA 0.243 4.881 4.640 -0.003 0.000 0.251 760 D C -0.493 175.871 176.300 0.106 0.000 1.196 760 D CA 0.132 54.229 54.000 0.162 0.000 0.866 760 D CB 1.535 42.418 40.800 0.139 0.000 1.101 760 D HN 0.297 nan 8.370 nan 0.000 0.476 761 V N 0.568 120.551 119.914 0.116 0.000 2.823 761 V HA 0.604 4.722 4.120 -0.003 0.000 0.312 761 V C -0.278 175.858 176.094 0.069 0.000 1.072 761 V CA -0.569 61.784 62.300 0.089 0.000 0.937 761 V CB 2.254 34.145 31.823 0.113 0.000 1.013 761 V HN 0.375 nan 8.190 nan 0.000 0.430 762 T N 6.415 120.998 114.554 0.048 0.000 2.767 762 T HA 0.608 4.956 4.350 -0.003 0.000 0.288 762 T C 0.013 174.728 174.700 0.024 0.000 0.963 762 T CA -0.199 61.921 62.100 0.032 0.000 1.019 762 T CB 0.797 69.680 68.868 0.024 0.000 0.923 762 T HN 0.674 nan 8.240 nan 0.000 0.468 763 L N 2.429 123.660 121.223 0.013 0.000 2.453 763 L HA 0.264 4.603 4.340 -0.003 0.000 0.261 763 L C 1.405 178.272 176.870 -0.005 0.000 1.179 763 L CA -0.819 54.023 54.840 0.004 0.000 0.813 763 L CB 0.383 42.440 42.059 -0.003 0.000 1.110 763 L HN 0.535 nan 8.230 nan 0.000 0.466 764 D N -0.026 120.370 120.400 -0.006 0.000 2.158 764 D HA -0.181 4.457 4.640 -0.003 0.000 0.197 764 D C 2.167 178.462 176.300 -0.009 0.000 0.995 764 D CA 1.787 55.784 54.000 -0.005 0.000 0.846 764 D CB -0.132 40.665 40.800 -0.006 0.000 0.941 764 D HN 0.703 nan 8.370 nan 0.000 0.456 765 S N -0.845 114.847 115.700 -0.014 0.000 2.419 765 S HA -0.039 4.429 4.470 -0.003 0.000 0.235 765 S C 1.897 176.479 174.600 -0.029 0.000 1.019 765 S CA 1.381 59.570 58.200 -0.019 0.000 0.982 765 S CB -0.253 62.933 63.200 -0.024 0.000 0.789 765 S HN 0.430 nan 8.310 nan 0.000 0.490 766 G N 0.518 109.298 108.800 -0.033 0.000 2.184 766 G HA2 -0.173 3.785 3.960 -0.003 0.000 0.206 766 G HA3 -0.173 3.785 3.960 -0.003 0.000 0.206 766 G C -0.051 174.806 174.900 -0.071 0.000 0.995 766 G CA -0.140 44.939 45.100 -0.034 0.000 0.651 766 G HN 0.563 nan 8.290 nan 0.000 0.511 767 I N 1.993 122.494 120.570 -0.115 0.000 2.363 767 I HA 0.319 4.488 4.170 -0.003 0.000 0.292 767 I C 0.736 176.821 176.117 -0.054 0.000 1.075 767 I CA -0.584 60.602 61.300 -0.190 0.000 1.333 767 I CB 1.077 38.900 38.000 -0.295 0.000 1.415 767 I HN 0.248 nan 8.210 nan 0.000 0.502 768 E N 6.561 126.757 120.200 -0.007 0.000 2.417 768 E HA 0.404 4.753 4.350 -0.003 0.000 0.261 768 E C -0.750 175.890 176.600 0.066 0.000 1.000 768 E CA -0.045 56.381 56.400 0.044 0.000 0.919 768 E CB 0.748 30.487 29.700 0.064 0.000 0.955 768 E HN 0.653 nan 8.360 nan 0.000 0.455 769 A N 4.692 127.558 122.820 0.076 0.000 2.485 769 A HA 0.771 5.089 4.320 -0.003 0.000 0.292 769 A C -0.964 176.691 177.584 0.118 0.000 1.147 769 A CA -0.877 51.218 52.037 0.096 0.000 0.750 769 A CB 1.403 20.459 19.000 0.092 0.000 1.331 769 A HN 0.690 nan 8.150 nan 0.000 0.419 770 R N 0.691 121.270 120.500 0.131 0.000 2.480 770 R HA 0.685 5.023 4.340 -0.003 0.000 0.306 770 R C -1.838 174.587 176.300 0.208 0.000 0.958 770 R CA -0.391 55.812 56.100 0.173 0.000 0.861 770 R CB 0.912 31.280 30.300 0.112 0.000 1.171 770 R HN 0.631 nan 8.270 nan 0.000 0.445 771 I N 3.541 124.299 120.570 0.313 0.000 2.355 771 I HA 0.294 4.462 4.170 -0.003 0.000 0.288 771 I C -0.519 175.894 176.117 0.493 0.000 0.999 771 I CA -0.621 60.898 61.300 0.365 0.000 1.163 771 I CB 2.029 40.264 38.000 0.393 0.000 1.316 771 I HN 0.604 nan 8.210 nan 0.000 0.454 772 S N 5.676 121.570 115.700 0.325 0.000 2.532 772 S HA 0.479 4.948 4.470 -0.003 0.000 0.301 772 S C 0.107 174.772 174.600 0.109 0.000 1.083 772 S CA -0.857 57.518 58.200 0.292 0.000 1.025 772 S CB 2.020 65.310 63.200 0.149 0.000 1.056 772 S HN 0.507 nan 8.310 nan 0.000 0.494 773 R N 2.029 122.567 120.500 0.062 0.000 3.956 773 R HA 0.355 4.694 4.340 -0.003 0.000 0.237 773 R C -0.893 175.290 176.300 -0.194 0.000 1.552 773 R CA 0.009 55.977 56.100 -0.220 0.000 1.529 773 R CB -0.397 29.763 30.300 -0.232 0.000 1.376 773 R HN 0.527 nan 8.270 nan 0.000 0.733 774 I N 0.144 120.634 120.570 -0.134 0.000 2.377 774 I HA 0.192 4.360 4.170 -0.003 0.000 0.293 774 I C 0.174 176.278 176.117 -0.022 0.000 0.987 774 I CA -0.361 60.870 61.300 -0.115 0.000 1.185 774 I CB 2.003 39.933 38.000 -0.116 0.000 1.341 774 I HN 0.124 nan 8.210 nan 0.000 0.455 775 S N 4.922 120.661 115.700 0.064 0.000 2.538 775 S HA 0.508 4.976 4.470 -0.003 0.000 0.288 775 S C -0.488 174.285 174.600 0.288 0.000 1.108 775 S CA -0.329 57.981 58.200 0.183 0.000 0.971 775 S CB 1.096 64.433 63.200 0.229 0.000 1.041 775 S HN 0.484 nan 8.310 nan 0.000 0.483 776 F N 3.773 123.808 119.950 0.141 0.000 2.735 776 F HA 0.353 4.878 4.527 -0.003 0.000 0.308 776 F C 1.382 177.417 175.800 0.391 0.000 1.112 776 F CA -0.072 58.054 58.000 0.211 0.000 1.235 776 F CB 0.247 39.326 39.000 0.131 0.000 1.027 776 F HN 0.617 nan 8.300 nan 0.000 0.528 777 S N -2.202 113.699 115.700 0.336 0.000 2.593 777 S HA 0.397 4.865 4.470 -0.003 0.000 0.235 777 S C 1.654 176.292 174.600 0.063 0.000 1.059 777 S CA 0.427 58.692 58.200 0.110 0.000 0.953 777 S CB 0.385 63.631 63.200 0.076 0.000 0.897 777 S HN 0.613 nan 8.310 nan 0.000 0.507 778 G N 1.135 110.043 108.800 0.179 0.000 2.159 778 G HA2 -0.182 3.776 3.960 -0.003 0.000 0.256 778 G HA3 -0.182 3.776 3.960 -0.003 0.000 0.256 778 G C -0.216 174.717 174.900 0.055 0.000 0.977 778 G CA 0.295 45.453 45.100 0.096 0.000 0.652 778 G HN 0.513 nan 8.290 nan 0.000 0.531 779 E N -0.552 119.686 120.200 0.064 0.000 2.227 779 E HA 0.545 4.893 4.350 -0.003 0.000 0.268 779 E C 0.486 177.100 176.600 0.024 0.000 0.990 779 E CA -1.230 55.188 56.400 0.031 0.000 0.856 779 E CB 1.563 31.276 29.700 0.021 0.000 1.159 779 E HN 0.312 nan 8.360 nan 0.000 0.401 780 L N 1.639 122.855 121.223 -0.011 0.000 2.640 780 L HA 0.133 4.472 4.340 -0.003 0.000 0.280 780 L C -0.626 176.224 176.870 -0.032 0.000 1.229 780 L CA 0.702 55.516 54.840 -0.043 0.000 0.919 780 L CB -0.339 41.707 42.059 -0.022 0.000 1.168 780 L HN 0.553 nan 8.230 nan 0.000 0.496 781 A N 5.025 127.757 122.820 -0.147 0.000 2.549 781 A HA 0.774 5.092 4.320 -0.003 0.000 0.297 781 A C -1.533 175.846 177.584 -0.343 0.000 1.061 781 A CA -0.485 51.503 52.037 -0.083 0.000 0.690 781 A CB 0.865 19.886 19.000 0.035 0.000 1.287 781 A HN 0.516 nan 8.150 nan 0.000 0.402 782 F N 0.905 120.836 119.950 -0.032 0.000 2.536 782 F HA 0.399 4.924 4.527 -0.003 0.000 0.322 782 F C 0.183 175.972 175.800 -0.017 0.000 1.144 782 F CA -0.135 57.823 58.000 -0.071 0.000 0.924 782 F CB 2.401 41.319 39.000 -0.137 0.000 1.181 782 F HN 0.578 nan 8.300 nan 0.000 0.438 783 E N 4.857 125.143 120.200 0.142 0.000 2.134 783 E HA 0.469 4.817 4.350 -0.003 0.000 0.278 783 E C -0.777 175.902 176.600 0.132 0.000 0.959 783 E CA -0.493 55.971 56.400 0.106 0.000 0.783 783 E CB 2.138 31.857 29.700 0.032 0.000 1.095 783 E HN 0.479 nan 8.360 nan 0.000 0.399 784 I N 2.345 122.986 120.570 0.119 0.000 2.321 784 I HA 0.368 4.537 4.170 -0.003 0.000 0.291 784 I C -0.147 176.036 176.117 0.109 0.000 0.998 784 I CA -0.567 60.802 61.300 0.115 0.000 1.227 784 I CB 1.388 39.441 38.000 0.088 0.000 1.368 784 I HN 0.446 nan 8.210 nan 0.000 0.466 785 A N 8.794 131.681 122.820 0.111 0.000 2.304 785 A HA 0.852 5.171 4.320 -0.003 0.000 0.314 785 A C -0.518 177.130 177.584 0.106 0.000 1.187 785 A CA -0.489 51.611 52.037 0.105 0.000 0.810 785 A CB 0.913 19.975 19.000 0.103 0.000 1.183 785 A HN 0.654 nan 8.150 nan 0.000 0.487 786 I N -0.255 120.384 120.570 0.115 0.000 2.865 786 I HA 0.644 4.812 4.170 -0.003 0.000 0.302 786 I C -3.110 173.086 176.117 0.132 0.000 1.140 786 I CA -3.050 58.336 61.300 0.143 0.000 1.021 786 I CB 1.341 39.453 38.000 0.187 0.000 1.233 786 I HN 0.190 nan 8.210 nan 0.000 0.427 787 P HA 0.006 nan 4.420 nan 0.000 0.259 787 P C 0.759 178.075 177.300 0.027 0.000 1.163 787 P CA 0.535 63.648 63.100 0.021 0.000 0.760 787 P CB 0.527 32.276 31.700 0.082 0.000 0.762 788 A N 5.135 127.905 122.820 -0.083 0.000 1.986 788 A HA -0.179 4.139 4.320 -0.003 0.000 0.220 788 A C 1.416 179.076 177.584 0.126 0.000 1.171 788 A CA 1.588 53.639 52.037 0.023 0.000 0.640 788 A CB -1.443 17.558 19.000 0.003 0.000 0.811 788 A HN 0.762 nan 8.150 nan 0.000 0.451 789 W N -0.979 120.289 121.300 -0.054 0.000 2.961 789 W HA 0.071 4.729 4.660 -0.003 0.000 0.240 789 W C 0.725 177.133 176.519 -0.186 0.000 1.305 789 W CA 0.415 57.692 57.345 -0.114 0.000 1.465 789 W CB -1.347 28.025 29.460 -0.147 0.000 1.135 789 W HN 0.460 nan 8.180 nan 0.000 0.688 790 H N -0.159 119.172 119.070 0.436 0.000 2.549 790 H HA 0.287 4.841 4.556 -0.003 0.000 0.279 790 H C 2.086 177.524 175.328 0.183 0.000 1.018 790 H CA 0.559 56.761 56.048 0.256 0.000 1.175 790 H CB -0.304 29.598 29.762 0.234 0.000 1.485 790 H HN 0.342 nan 8.280 nan 0.000 0.543 791 G N 1.189 110.138 108.800 0.248 0.000 2.421 791 G HA2 -0.204 3.755 3.960 -0.003 0.000 0.216 791 G HA3 -0.204 3.755 3.960 -0.003 0.000 0.216 791 G C 1.729 176.731 174.900 0.170 0.000 1.171 791 G CA 0.147 45.358 45.100 0.185 0.000 0.775 791 G HN 0.323 nan 8.290 nan 0.000 0.543 792 L N -0.065 121.245 121.223 0.145 0.000 2.027 792 L HA -0.109 4.230 4.340 -0.003 0.000 0.206 792 L C 3.010 179.983 176.870 0.172 0.000 1.074 792 L CA 2.178 57.096 54.840 0.131 0.000 0.745 792 L CB -0.349 41.785 42.059 0.126 0.000 0.898 792 L HN 0.349 nan 8.230 nan 0.000 0.433 793 Q N -0.274 119.632 119.800 0.176 0.000 2.045 793 Q HA -0.210 4.128 4.340 -0.003 0.000 0.206 793 Q C 1.955 178.032 176.000 0.129 0.000 0.991 793 Q CA 2.677 58.574 55.803 0.157 0.000 0.851 793 Q CB -0.543 28.299 28.738 0.173 0.000 0.911 793 Q HN 0.373 nan 8.270 nan 0.000 0.418 794 V N 0.181 120.183 119.914 0.147 0.000 2.332 794 V HA -0.250 3.868 4.120 -0.003 0.000 0.248 794 V C 1.988 178.127 176.094 0.076 0.000 1.055 794 V CA 1.963 64.326 62.300 0.105 0.000 1.038 794 V CB -0.984 30.914 31.823 0.125 0.000 0.651 794 V HN 0.622 nan 8.190 nan 0.000 0.450 795 W N 1.314 122.552 121.300 -0.103 0.000 2.333 795 W HA -0.209 4.449 4.660 -0.003 0.000 0.316 795 W C 2.331 178.672 176.519 -0.298 0.000 1.215 795 W CA 2.296 59.488 57.345 -0.254 0.000 1.278 795 W CB -0.172 29.052 29.460 -0.393 0.000 1.154 795 W HN 0.389 nan 8.180 nan 0.000 0.486 796 E N 0.038 120.195 120.200 -0.071 0.000 2.077 796 E HA -0.227 4.121 4.350 -0.003 0.000 0.193 796 E C 1.625 178.232 176.600 0.012 0.000 0.989 796 E CA 1.564 57.960 56.400 -0.007 0.000 0.800 796 E CB -0.413 29.387 29.700 0.167 0.000 0.746 796 E HN 0.152 nan 8.360 nan 0.000 0.452 797 D N 0.546 120.946 120.400 -0.001 0.000 2.123 797 D HA -0.138 4.500 4.640 -0.003 0.000 0.196 797 D C 2.040 178.295 176.300 -0.075 0.000 0.992 797 D CA 0.909 54.898 54.000 -0.019 0.000 0.833 797 D CB -0.239 40.558 40.800 -0.005 0.000 0.954 797 D HN 0.030 nan 8.370 nan 0.000 0.455 798 V N 0.442 120.268 119.914 -0.146 0.000 2.759 798 V HA -0.219 3.899 4.120 -0.003 0.000 0.256 798 V C 2.013 177.974 176.094 -0.221 0.000 1.080 798 V CA 0.997 63.175 62.300 -0.203 0.000 1.101 798 V CB -0.559 31.084 31.823 -0.299 0.000 0.698 798 V HN 0.161 nan 8.190 nan 0.000 0.477 799 Y N 1.411 121.462 120.300 -0.415 0.000 2.130 799 Y HA -0.030 4.518 4.550 -0.003 0.000 0.287 799 Y C 2.418 178.231 175.900 -0.145 0.000 1.124 799 Y CA 1.089 58.980 58.100 -0.348 0.000 1.118 799 Y CB -0.860 37.385 38.460 -0.359 0.000 0.994 799 Y HN 0.131 nan 8.280 nan 0.000 0.497 800 A N 1.080 123.842 122.820 -0.096 0.000 1.863 800 A HA -0.330 3.988 4.320 -0.003 0.000 0.218 800 A C 2.475 179.966 177.584 -0.154 0.000 1.233 800 A CA 3.090 55.055 52.037 -0.121 0.000 0.655 800 A CB -1.801 17.185 19.000 -0.023 0.000 0.839 800 A HN 0.696 nan 8.150 nan 0.000 0.454 801 A N -1.379 121.378 122.820 -0.105 0.000 2.042 801 A HA 0.014 4.332 4.320 -0.003 0.000 0.222 801 A C 2.197 179.738 177.584 -0.073 0.000 1.167 801 A CA 2.245 54.233 52.037 -0.081 0.000 0.649 801 A CB -1.166 17.803 19.000 -0.051 0.000 0.809 801 A HN 1.115 nan 8.150 nan 0.000 0.457 802 G N -2.153 106.579 108.800 -0.113 0.000 2.986 802 G HA2 0.120 4.078 3.960 -0.003 0.000 0.213 802 G HA3 0.120 4.078 3.960 -0.003 0.000 0.213 802 G C 1.270 176.078 174.900 -0.152 0.000 1.156 802 G CA 0.358 45.433 45.100 -0.043 0.000 0.763 802 G HN 0.425 nan 8.290 nan 0.000 0.547 803 Q N 1.435 121.066 119.800 -0.281 0.000 2.112 803 Q HA -0.191 4.147 4.340 -0.003 0.000 0.206 803 Q C 2.323 178.162 176.000 -0.268 0.000 0.987 803 Q CA 1.811 57.436 55.803 -0.296 0.000 0.858 803 Q CB -0.425 28.135 28.738 -0.298 0.000 0.905 803 Q HN 0.900 nan 8.270 nan 0.000 0.420 804 E N -0.410 119.545 120.200 -0.408 0.000 2.338 804 E HA -0.121 4.227 4.350 -0.003 0.000 0.197 804 E C 0.775 177.038 176.600 -0.561 0.000 1.007 804 E CA 0.683 56.770 56.400 -0.521 0.000 0.849 804 E CB -0.220 29.076 29.700 -0.673 0.000 0.774 804 E HN 0.263 nan 8.360 nan 0.000 0.506 805 F N 0.746 120.653 119.950 -0.073 0.000 2.664 805 F HA 0.274 4.799 4.527 -0.003 0.000 0.303 805 F C 0.278 176.048 175.800 -0.050 0.000 1.092 805 F CA -0.376 57.591 58.000 -0.056 0.000 1.305 805 F CB -0.200 38.767 39.000 -0.055 0.000 1.054 805 F HN -0.055 nan 8.300 nan 0.000 0.565 806 N N 1.346 120.066 118.700 0.034 0.000 2.816 806 N HA -0.248 4.490 4.740 -0.003 0.000 0.247 806 N C -0.186 175.346 175.510 0.037 0.000 1.100 806 N CA 0.087 53.150 53.050 0.022 0.000 0.687 806 N CB -1.546 36.966 38.487 0.042 0.000 1.003 806 N HN 0.438 nan 8.380 nan 0.000 0.554 807 I N 0.884 121.457 120.570 0.005 0.000 2.664 807 I HA -0.001 4.167 4.170 -0.003 0.000 0.284 807 I C -0.086 176.080 176.117 0.081 0.000 1.154 807 I CA 0.598 61.914 61.300 0.025 0.000 1.402 807 I CB 0.194 38.177 38.000 -0.028 0.000 1.395 807 I HN 0.238 nan 8.210 nan 0.000 0.545 808 T N 9.661 124.273 114.554 0.097 0.000 2.801 808 T HA 0.344 4.692 4.350 -0.003 0.000 0.306 808 T C -2.343 172.435 174.700 0.131 0.000 1.020 808 T CA -1.092 61.082 62.100 0.123 0.000 0.948 808 T CB 0.801 69.728 68.868 0.098 0.000 0.962 808 T HN 0.457 nan 8.240 nan 0.000 0.465 809 P HA 0.091 nan 4.420 nan 0.000 0.267 809 P C -1.099 176.189 177.300 -0.020 0.000 1.200 809 P CA -0.032 62.989 63.100 -0.132 0.000 0.772 809 P CB 0.292 31.715 31.700 -0.462 0.000 0.855 810 Y N -0.452 119.877 120.300 0.049 0.000 2.644 810 Y HA 0.812 5.361 4.550 -0.003 0.000 0.338 810 Y C -0.169 176.010 175.900 0.464 0.000 1.119 810 Y CA -1.110 57.152 58.100 0.270 0.000 1.060 810 Y CB 0.788 39.352 38.460 0.174 0.000 1.294 810 Y HN 0.564 nan 8.280 nan 0.000 0.472 811 G N -0.321 108.775 108.800 0.492 0.000 3.262 811 G HA2 0.386 4.345 3.960 -0.003 0.000 0.229 811 G HA3 0.386 4.345 3.960 -0.003 0.000 0.229 811 G C 0.423 175.502 174.900 0.297 0.000 1.280 811 G CA -0.361 44.914 45.100 0.292 0.000 0.951 811 G HN 1.039 nan 8.290 nan 0.000 0.589 812 T N -1.591 113.107 114.554 0.241 0.000 2.699 812 T HA -0.181 4.167 4.350 -0.003 0.000 0.268 812 T C 1.892 176.639 174.700 0.078 0.000 1.036 812 T CA 2.196 64.392 62.100 0.160 0.000 1.147 812 T CB -0.248 68.656 68.868 0.060 0.000 0.862 812 T HN 0.416 nan 8.240 nan 0.000 0.446 813 E N 1.107 121.482 120.200 0.291 0.000 2.047 813 E HA -0.060 4.288 4.350 -0.003 0.000 0.191 813 E C 2.426 179.133 176.600 0.179 0.000 0.987 813 E CA 1.713 58.255 56.400 0.235 0.000 0.799 813 E CB -0.879 28.947 29.700 0.211 0.000 0.752 813 E HN 0.557 nan 8.360 nan 0.000 0.449 814 T N 1.223 115.909 114.554 0.221 0.000 2.746 814 T HA -0.170 4.178 4.350 -0.003 0.000 0.267 814 T C 1.709 176.505 174.700 0.160 0.000 1.039 814 T CA 1.414 63.602 62.100 0.146 0.000 1.142 814 T CB -0.286 68.680 68.868 0.163 0.000 0.866 814 T HN 0.220 nan 8.240 nan 0.000 0.444 815 M N 0.666 120.522 119.600 0.427 0.000 2.143 815 M HA -0.207 4.271 4.480 -0.003 0.000 0.258 815 M C 1.973 178.443 176.300 0.285 0.000 1.071 815 M CA 1.907 57.473 55.300 0.444 0.000 1.088 815 M CB -0.536 32.376 32.600 0.521 0.000 1.360 815 M HN 0.499 nan 8.290 nan 0.000 0.404 816 H N -1.518 117.588 119.070 0.061 0.000 2.403 816 H HA -0.050 4.504 4.556 -0.003 0.000 0.298 816 H C 2.154 177.145 175.328 -0.562 0.000 1.059 816 H CA 1.056 57.068 56.048 -0.059 0.000 1.363 816 H CB 0.263 30.148 29.762 0.204 0.000 1.410 816 H HN 0.252 nan 8.280 nan 0.000 0.528 817 V N 1.461 121.043 119.914 -0.553 0.000 2.255 817 V HA -0.274 3.844 4.120 -0.003 0.000 0.247 817 V C 2.543 178.400 176.094 -0.394 0.000 1.051 817 V CA 1.581 63.440 62.300 -0.734 0.000 1.018 817 V CB -0.557 31.038 31.823 -0.381 0.000 0.641 817 V HN 0.311 nan 8.190 nan 0.000 0.445 818 L N 0.179 121.227 121.223 -0.291 0.000 2.017 818 L HA -0.160 4.178 4.340 -0.003 0.000 0.208 818 L C 2.835 179.520 176.870 -0.308 0.000 1.073 818 L CA 1.939 56.613 54.840 -0.278 0.000 0.745 818 L CB -0.816 41.116 42.059 -0.211 0.000 0.894 818 L HN 0.351 nan 8.230 nan 0.000 0.432 819 R N 1.307 121.601 120.500 -0.345 0.000 2.115 819 R HA -0.117 4.221 4.340 -0.003 0.000 0.230 819 R C 1.971 177.994 176.300 -0.460 0.000 1.111 819 R CA 1.733 57.520 56.100 -0.522 0.000 0.976 819 R CB -0.520 29.203 30.300 -0.961 0.000 0.870 819 R HN 0.303 nan 8.270 nan 0.000 0.445 820 A N 1.377 124.013 122.820 -0.307 0.000 1.929 820 A HA -0.086 4.232 4.320 -0.003 0.000 0.216 820 A C 1.945 179.558 177.584 0.049 0.000 1.176 820 A CA 1.203 53.178 52.037 -0.104 0.000 0.628 820 A CB -0.300 18.734 19.000 0.058 0.000 0.816 820 A HN 0.545 nan 8.150 nan 0.000 0.444 821 E N -0.128 120.033 120.200 -0.065 0.000 2.265 821 E HA -0.137 4.211 4.350 -0.003 0.000 0.196 821 E C 1.105 177.500 176.600 -0.342 0.000 0.996 821 E CA 0.837 57.034 56.400 -0.338 0.000 0.832 821 E CB 0.038 29.497 29.700 -0.402 0.000 0.756 821 E HN 0.285 nan 8.360 nan 0.000 0.491 822 K N -0.433 119.668 120.400 -0.498 0.000 2.444 822 K HA 0.076 4.394 4.320 -0.003 0.000 0.193 822 K C 0.980 177.171 176.600 -0.681 0.000 1.024 822 K CA 0.598 56.422 56.287 -0.771 0.000 1.077 822 K CB 0.449 32.037 32.500 -1.519 0.000 0.833 822 K HN 0.222 nan 8.250 nan 0.000 0.517 823 G N 2.161 110.732 108.800 -0.381 0.000 2.283 823 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.280 823 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.280 823 G C -0.181 174.696 174.900 -0.039 0.000 1.029 823 G CA 0.067 45.069 45.100 -0.163 0.000 0.840 823 G HN 0.122 nan 8.290 nan 0.000 0.505 824 F N 0.236 120.130 119.950 -0.093 0.000 2.389 824 F HA 0.581 5.106 4.527 -0.003 0.000 0.337 824 F C 1.397 177.185 175.800 -0.019 0.000 1.112 824 F CA -2.054 55.920 58.000 -0.043 0.000 1.192 824 F CB 0.604 39.528 39.000 -0.127 0.000 1.185 824 F HN 0.314 nan 8.300 nan 0.000 0.552 825 I N 1.019 121.779 120.570 0.317 0.000 2.662 825 I HA 0.491 4.659 4.170 -0.003 0.000 0.291 825 I C -0.642 175.670 176.117 0.326 0.000 1.046 825 I CA -0.420 61.021 61.300 0.236 0.000 1.361 825 I CB 1.043 39.172 38.000 0.214 0.000 1.429 825 I HN 0.361 nan 8.210 nan 0.000 0.558 826 I N 5.288 126.018 120.570 0.267 0.000 2.355 826 I HA 0.248 4.416 4.170 -0.003 0.000 0.288 826 I C -0.137 176.105 176.117 0.209 0.000 0.999 826 I CA -0.899 60.557 61.300 0.261 0.000 1.163 826 I CB 1.724 39.838 38.000 0.190 0.000 1.316 826 I HN 0.410 nan 8.210 nan 0.000 0.454 827 V N 6.525 126.535 119.914 0.160 0.000 2.617 827 V HA 0.112 4.230 4.120 -0.003 0.000 0.304 827 V C 1.367 177.536 176.094 0.124 0.000 1.040 827 V CA 1.596 63.968 62.300 0.120 0.000 1.149 827 V CB 0.439 32.293 31.823 0.051 0.000 0.914 827 V HN 1.155 nan 8.190 nan 0.000 0.487 828 G N 3.326 112.207 108.800 0.136 0.000 2.225 828 G HA2 -0.354 3.605 3.960 -0.003 0.000 0.254 828 G HA3 -0.354 3.605 3.960 -0.003 0.000 0.254 828 G C 0.828 175.826 174.900 0.163 0.000 0.988 828 G CA 0.926 46.108 45.100 0.137 0.000 0.625 828 G HN 0.719 nan 8.290 nan 0.000 0.527 829 Q N -0.268 119.635 119.800 0.173 0.000 2.252 829 Q HA 0.133 4.472 4.340 -0.003 0.000 0.195 829 Q C 1.550 177.659 176.000 0.181 0.000 0.974 829 Q CA 0.865 56.763 55.803 0.158 0.000 0.846 829 Q CB 0.249 29.040 28.738 0.088 0.000 0.943 829 Q HN 0.439 nan 8.270 nan 0.000 0.516 830 D N 0.919 121.456 120.400 0.228 0.000 2.339 830 D HA 0.019 4.657 4.640 -0.003 0.000 0.217 830 D C -0.012 176.377 176.300 0.148 0.000 1.050 830 D CA 0.568 54.660 54.000 0.153 0.000 0.856 830 D CB 0.637 41.548 40.800 0.184 0.000 0.922 830 D HN 0.303 nan 8.370 nan 0.000 0.518 831 T N -0.649 114.018 114.554 0.188 0.000 2.893 831 T HA 0.400 4.748 4.350 -0.003 0.000 0.291 831 T C -0.509 174.319 174.700 0.213 0.000 1.028 831 T CA -0.861 61.351 62.100 0.186 0.000 0.995 831 T CB 2.412 71.369 68.868 0.149 0.000 1.051 831 T HN -0.183 nan 8.240 nan 0.000 0.470 832 D N -0.261 120.267 120.400 0.214 0.000 2.760 832 D HA 0.311 4.949 4.640 -0.003 0.000 0.314 832 D C 1.385 177.762 176.300 0.128 0.000 1.464 832 D CA -0.064 54.045 54.000 0.182 0.000 0.797 832 D CB -0.349 40.581 40.800 0.217 0.000 1.149 832 D HN 1.241 nan 8.370 nan 0.000 0.455 833 G N 0.670 109.544 108.800 0.123 0.000 2.184 833 G HA2 -0.354 3.604 3.960 -0.003 0.000 0.264 833 G HA3 -0.354 3.604 3.960 -0.003 0.000 0.264 833 G C 0.992 175.952 174.900 0.099 0.000 0.975 833 G CA 1.013 46.172 45.100 0.097 0.000 0.642 833 G HN 0.801 nan 8.290 nan 0.000 0.536 834 T N -2.757 111.870 114.554 0.121 0.000 3.085 834 T HA 0.576 4.924 4.350 -0.003 0.000 0.264 834 T C 0.344 175.128 174.700 0.140 0.000 1.019 834 T CA 0.462 62.636 62.100 0.123 0.000 0.910 834 T CB 1.042 69.984 68.868 0.123 0.000 1.059 834 T HN 0.636 nan 8.240 nan 0.000 0.542 835 V N 3.615 123.616 119.914 0.146 0.000 2.357 835 V HA 0.523 4.641 4.120 -0.003 0.000 0.284 835 V C 0.745 176.923 176.094 0.139 0.000 1.018 835 V CA -0.774 61.611 62.300 0.142 0.000 0.841 835 V CB 1.130 33.039 31.823 0.144 0.000 0.991 835 V HN 0.668 nan 8.190 nan 0.000 0.437 836 T N 3.213 117.847 114.554 0.134 0.000 2.847 836 T HA 0.361 4.709 4.350 -0.003 0.000 0.279 836 T C -1.819 172.918 174.700 0.062 0.000 0.984 836 T CA -1.819 60.368 62.100 0.146 0.000 0.988 836 T CB 1.544 70.482 68.868 0.116 0.000 1.040 836 T HN 0.361 nan 8.240 nan 0.000 0.528 837 P HA -0.084 nan 4.420 nan 0.000 0.216 837 P C 1.597 178.819 177.300 -0.130 0.000 1.150 837 P CA 1.082 64.149 63.100 -0.054 0.000 0.837 837 P CB 0.014 31.675 31.700 -0.065 0.000 0.786 838 Q N -0.375 119.308 119.800 -0.195 0.000 2.020 838 Q HA -0.175 4.163 4.340 -0.003 0.000 0.202 838 Q C 1.935 177.854 176.000 -0.135 0.000 0.982 838 Q CA 1.695 57.379 55.803 -0.198 0.000 0.838 838 Q CB -1.110 27.476 28.738 -0.253 0.000 0.899 838 Q HN 0.257 nan 8.270 nan 0.000 0.423 839 D N 0.239 120.604 120.400 -0.059 0.000 2.149 839 D HA -0.174 4.464 4.640 -0.003 0.000 0.194 839 D C 0.964 177.276 176.300 0.020 0.000 1.001 839 D CA 1.619 55.637 54.000 0.030 0.000 0.849 839 D CB -0.281 40.581 40.800 0.104 0.000 0.939 839 D HN 0.326 nan 8.370 nan 0.000 0.449 840 A N -0.257 122.571 122.820 0.014 0.000 2.359 840 A HA 0.454 4.772 4.320 -0.003 0.000 0.240 840 A C 1.427 179.032 177.584 0.035 0.000 1.306 840 A CA 0.664 52.725 52.037 0.041 0.000 0.898 840 A CB -0.507 18.532 19.000 0.065 0.000 0.956 840 A HN 0.227 nan 8.150 nan 0.000 0.497 841 G N -1.188 107.606 108.800 -0.010 0.000 2.246 841 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.273 841 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.273 841 G C 0.223 175.158 174.900 0.058 0.000 1.055 841 G CA 0.652 45.767 45.100 0.025 0.000 0.851 841 G HN 0.546 nan 8.290 nan 0.000 0.500 842 M N -0.588 118.945 119.600 -0.112 0.000 2.747 842 M HA 0.285 4.763 4.480 -0.003 0.000 0.402 842 M C 1.532 177.551 176.300 -0.467 0.000 1.238 842 M CA 0.040 55.078 55.300 -0.436 0.000 0.877 842 M CB 0.505 32.878 32.600 -0.378 0.000 1.424 842 M HN 0.219 nan 8.290 nan 0.000 0.511 843 E N 1.362 121.435 120.200 -0.212 0.000 2.136 843 E HA -0.249 4.099 4.350 -0.003 0.000 0.202 843 E C 1.619 178.177 176.600 -0.070 0.000 1.019 843 E CA 2.833 59.158 56.400 -0.124 0.000 0.819 843 E CB -0.198 29.483 29.700 -0.032 0.000 0.739 843 E HN 0.722 nan 8.360 nan 0.000 0.458 844 W N -0.570 120.740 121.300 0.015 0.000 2.374 844 W HA -0.079 4.580 4.660 -0.003 0.000 0.288 844 W C 1.675 178.215 176.519 0.035 0.000 1.218 844 W CA 0.820 58.180 57.345 0.025 0.000 1.245 844 W CB -1.091 28.384 29.460 0.025 0.000 1.126 844 W HN -0.005 nan 8.180 nan 0.000 0.545 845 V N 2.034 121.581 119.914 -0.612 0.000 3.141 845 V HA -0.068 4.051 4.120 -0.003 0.000 0.265 845 V C 0.921 176.883 176.094 -0.221 0.000 1.126 845 V CA 0.671 62.652 62.300 -0.533 0.000 1.141 845 V CB -0.495 30.768 31.823 -0.934 0.000 0.743 845 V HN -0.065 nan 8.190 nan 0.000 0.492 846 V N 1.586 121.429 119.914 -0.119 0.000 2.405 846 V HA 0.185 4.304 4.120 -0.003 0.000 0.264 846 V C 0.595 176.783 176.094 0.158 0.000 1.048 846 V CA 0.280 62.615 62.300 0.059 0.000 0.966 846 V CB 0.973 32.876 31.823 0.133 0.000 1.015 846 V HN 0.428 nan 8.190 nan 0.000 0.477 847 S N 4.692 120.524 115.700 0.219 0.000 2.488 847 S HA 0.157 4.625 4.470 -0.003 0.000 0.278 847 S C 1.028 175.791 174.600 0.273 0.000 1.259 847 S CA -0.713 57.622 58.200 0.226 0.000 1.061 847 S CB 0.327 63.662 63.200 0.224 0.000 0.910 847 S HN 0.807 nan 8.310 nan 0.000 0.491 848 K N 4.900 125.404 120.400 0.173 0.000 2.458 848 K HA 0.280 4.598 4.320 -0.003 0.000 0.194 848 K C 0.878 177.541 176.600 0.105 0.000 1.024 848 K CA 0.558 56.927 56.287 0.136 0.000 1.108 848 K CB -0.144 32.418 32.500 0.102 0.000 0.846 848 K HN 0.572 nan 8.250 nan 0.000 0.518 849 L N 0.021 121.311 121.223 0.112 0.000 2.362 849 L HA 0.180 4.518 4.340 -0.003 0.000 0.204 849 L C 0.203 177.122 176.870 0.082 0.000 1.060 849 L CA 0.038 54.928 54.840 0.083 0.000 0.827 849 L CB -0.019 42.083 42.059 0.072 0.000 1.027 849 L HN 0.127 nan 8.230 nan 0.000 0.474 850 K N -1.306 119.167 120.400 0.121 0.000 2.350 850 K HA 0.459 4.778 4.320 -0.003 0.000 0.241 850 K C -1.098 175.578 176.600 0.127 0.000 0.994 850 K CA -0.796 55.557 56.287 0.111 0.000 0.839 850 K CB 1.111 33.677 32.500 0.110 0.000 1.244 850 K HN -0.301 nan 8.250 nan 0.000 0.443 851 D N 0.186 120.608 120.400 0.037 0.000 2.283 851 D HA 0.526 5.164 4.640 -0.003 0.000 0.248 851 D C -0.906 175.409 176.300 0.025 0.000 1.072 851 D CA -0.259 53.687 54.000 -0.090 0.000 0.929 851 D CB 0.516 41.252 40.800 -0.107 0.000 1.182 851 D HN 0.477 nan 8.370 nan 0.000 0.433 852 F N -0.911 119.019 119.950 -0.033 0.000 2.693 852 F HA 0.415 4.940 4.527 -0.003 0.000 0.309 852 F C -1.043 174.709 175.800 -0.081 0.000 1.129 852 F CA -1.365 56.598 58.000 -0.062 0.000 0.948 852 F CB 0.299 39.280 39.000 -0.032 0.000 1.315 852 F HN -0.014 nan 8.300 nan 0.000 0.447 853 V N 2.527 122.527 119.914 0.142 0.000 2.557 853 V HA 0.370 4.488 4.120 -0.003 0.000 0.301 853 V C 1.065 177.240 176.094 0.136 0.000 1.026 853 V CA 1.787 64.108 62.300 0.034 0.000 1.137 853 V CB 0.018 31.730 31.823 -0.185 0.000 0.917 853 V HN 1.540 nan 8.190 nan 0.000 0.484 854 G N 4.056 112.839 108.800 -0.028 0.000 2.279 854 G HA2 -0.302 3.657 3.960 -0.003 0.000 0.223 854 G HA3 -0.302 3.657 3.960 -0.003 0.000 0.223 854 G C 1.126 175.660 174.900 -0.609 0.000 1.015 854 G CA 0.478 45.481 45.100 -0.162 0.000 0.621 854 G HN 0.671 nan 8.290 nan 0.000 0.506 855 K N 0.637 120.569 120.400 -0.780 0.000 2.074 855 K HA -0.157 4.162 4.320 -0.003 0.000 0.209 855 K C 2.452 178.669 176.600 -0.639 0.000 1.048 855 K CA 1.971 57.602 56.287 -1.093 0.000 0.926 855 K CB -0.152 31.492 32.500 -1.426 0.000 0.713 855 K HN 0.308 nan 8.250 nan 0.000 0.444 856 R N 0.733 120.993 120.500 -0.399 0.000 2.139 856 R HA -0.070 4.269 4.340 -0.003 0.000 0.243 856 R C 1.738 177.955 176.300 -0.138 0.000 1.145 856 R CA 2.125 58.106 56.100 -0.197 0.000 0.976 856 R CB -0.579 29.650 30.300 -0.117 0.000 0.866 856 R HN 0.089 nan 8.270 nan 0.000 0.449 857 S N -0.181 115.392 115.700 -0.212 0.000 2.474 857 S HA -0.010 4.458 4.470 -0.003 0.000 0.235 857 S C 1.394 176.052 174.600 0.097 0.000 0.997 857 S CA 0.826 58.982 58.200 -0.074 0.000 0.949 857 S CB -0.306 62.847 63.200 -0.078 0.000 0.766 857 S HN 0.373 nan 8.310 nan 0.000 0.517 858 F N 1.962 121.925 119.950 0.023 0.000 2.365 858 F HA -0.098 4.428 4.527 -0.003 0.000 0.300 858 F C 2.586 178.402 175.800 0.027 0.000 1.090 858 F CA 0.604 58.623 58.000 0.033 0.000 1.408 858 F CB -0.153 38.866 39.000 0.033 0.000 1.060 858 F HN 0.288 nan 8.300 nan 0.000 0.534 859 S N -0.419 115.393 115.700 0.187 0.000 2.524 859 S HA 0.099 4.568 4.470 -0.003 0.000 0.216 859 S C 0.716 175.368 174.600 0.088 0.000 0.987 859 S CA -0.450 57.818 58.200 0.113 0.000 0.909 859 S CB -0.208 63.036 63.200 0.074 0.000 0.781 859 S HN 0.153 nan 8.310 nan 0.000 0.521 860 R N 1.805 122.360 120.500 0.092 0.000 2.734 860 R HA 0.131 4.469 4.340 -0.003 0.000 0.266 860 R C 1.509 177.854 176.300 0.074 0.000 1.044 860 R CA 0.249 56.392 56.100 0.072 0.000 1.128 860 R CB 0.334 30.676 30.300 0.071 0.000 1.010 860 R HN 0.463 nan 8.270 nan 0.000 0.461 861 E N 1.571 121.805 120.200 0.057 0.000 2.070 861 E HA -0.324 4.025 4.350 -0.003 0.000 0.197 861 E C 1.138 177.772 176.600 0.058 0.000 1.004 861 E CA 2.225 58.656 56.400 0.052 0.000 0.805 861 E CB 0.007 29.732 29.700 0.041 0.000 0.744 861 E HN 0.666 nan 8.360 nan 0.000 0.451 862 D N -0.129 120.308 120.400 0.061 0.000 2.144 862 D HA -0.145 4.493 4.640 -0.003 0.000 0.199 862 D C 1.619 177.967 176.300 0.080 0.000 0.984 862 D CA 1.366 55.405 54.000 0.065 0.000 0.834 862 D CB -0.118 40.720 40.800 0.065 0.000 0.955 862 D HN 0.205 nan 8.370 nan 0.000 0.465 863 N N -0.389 118.370 118.700 0.098 0.000 2.512 863 N HA -0.082 4.656 4.740 -0.003 0.000 0.183 863 N C 1.277 176.840 175.510 0.088 0.000 1.073 863 N CA 1.000 54.119 53.050 0.115 0.000 0.911 863 N CB 0.740 39.334 38.487 0.177 0.000 0.964 863 N HN 0.307 nan 8.380 nan 0.000 0.447 864 V N -2.250 117.710 119.914 0.076 0.000 3.427 864 V HA 0.288 4.406 4.120 -0.003 0.000 0.305 864 V C 0.750 176.877 176.094 0.055 0.000 1.412 864 V CA -0.473 61.865 62.300 0.062 0.000 1.086 864 V CB -0.198 31.659 31.823 0.057 0.000 0.964 864 V HN -0.028 nan 8.190 nan 0.000 0.439 865 R N 1.399 121.933 120.500 0.055 0.000 2.758 865 R HA 0.060 4.398 4.340 -0.003 0.000 0.263 865 R C 0.742 177.073 176.300 0.051 0.000 1.010 865 R CA 0.854 56.983 56.100 0.047 0.000 1.114 865 R CB 0.468 30.794 30.300 0.043 0.000 0.985 865 R HN 0.555 nan 8.270 nan 0.000 0.439 866 E N 0.680 120.903 120.200 0.038 0.000 2.479 866 E HA -0.066 4.283 4.350 -0.003 0.000 0.193 866 E C -0.030 176.574 176.600 0.007 0.000 1.049 866 E CA 0.338 56.762 56.400 0.040 0.000 0.870 866 E CB 0.297 30.017 29.700 0.034 0.000 0.944 866 E HN 0.539 nan 8.360 nan 0.000 0.492 867 D N 0.345 120.741 120.400 -0.008 0.000 2.538 867 D HA 0.025 4.663 4.640 -0.003 0.000 0.231 867 D C 0.055 176.317 176.300 -0.064 0.000 1.229 867 D CA -0.361 53.609 54.000 -0.051 0.000 0.828 867 D CB -0.003 40.783 40.800 -0.023 0.000 1.035 867 D HN -0.097 nan 8.370 nan 0.000 0.495 868 R N 1.159 121.635 120.500 -0.040 0.000 2.679 868 R HA 0.135 4.473 4.340 -0.003 0.000 0.268 868 R C 0.494 176.741 176.300 -0.087 0.000 1.044 868 R CA 0.019 56.121 56.100 0.004 0.000 1.105 868 R CB 0.937 31.302 30.300 0.108 0.000 0.989 868 R HN 0.042 nan 8.270 nan 0.000 0.447 869 K N 3.556 123.968 120.400 0.021 0.000 2.379 869 K HA 0.054 4.372 4.320 -0.003 0.000 0.284 869 K C -0.229 176.460 176.600 0.148 0.000 1.044 869 K CA 0.307 56.611 56.287 0.028 0.000 0.974 869 K CB 0.398 32.954 32.500 0.093 0.000 0.962 869 K HN 0.550 nan 8.250 nan 0.000 0.474 870 H N 1.462 120.549 119.070 0.028 0.000 2.463 870 H HA 0.192 4.746 4.556 -0.003 0.000 0.332 870 H C -0.184 175.147 175.328 0.004 0.000 1.127 870 H CA -0.940 55.120 56.048 0.020 0.000 1.238 870 H CB 1.691 31.466 29.762 0.020 0.000 1.478 870 H HN 0.248 nan 8.280 nan 0.000 0.499 871 L N 5.498 126.796 121.223 0.125 0.000 2.454 871 L HA 0.104 4.442 4.340 -0.003 0.000 0.284 871 L C -0.215 176.693 176.870 0.064 0.000 1.139 871 L CA -0.067 54.807 54.840 0.057 0.000 0.911 871 L CB -0.550 41.538 42.059 0.048 0.000 1.262 871 L HN 0.442 nan 8.230 nan 0.000 0.453 872 V N 1.665 121.612 119.914 0.055 0.000 3.229 872 V HA 0.739 4.857 4.120 -0.003 0.000 0.310 872 V C 0.135 176.261 176.094 0.053 0.000 1.206 872 V CA -0.620 61.714 62.300 0.056 0.000 1.051 872 V CB 1.582 33.446 31.823 0.067 0.000 1.183 872 V HN 0.690 nan 8.190 nan 0.000 0.466 873 S N -0.706 115.033 115.700 0.066 0.000 2.747 873 S HA 0.886 5.355 4.470 -0.003 0.000 0.300 873 S C -0.723 173.933 174.600 0.094 0.000 1.121 873 S CA -0.634 57.632 58.200 0.110 0.000 0.995 873 S CB 1.716 64.998 63.200 0.137 0.000 1.113 873 S HN 1.290 nan 8.310 nan 0.000 0.547 874 V N 0.791 120.784 119.914 0.132 0.000 2.932 874 V HA 0.539 4.657 4.120 -0.003 0.000 0.307 874 V C -1.628 174.544 176.094 0.131 0.000 1.147 874 V CA -0.715 61.641 62.300 0.093 0.000 0.951 874 V CB 1.836 33.688 31.823 0.048 0.000 1.031 874 V HN 0.904 nan 8.190 nan 0.000 0.426 875 L N 6.651 127.931 121.223 0.095 0.000 2.457 875 L HA 0.499 4.837 4.340 -0.003 0.000 0.266 875 L C -2.701 174.209 176.870 0.066 0.000 0.979 875 L CA -1.575 53.326 54.840 0.101 0.000 0.857 875 L CB 2.325 44.434 42.059 0.084 0.000 1.213 875 L HN 0.418 nan 8.230 nan 0.000 0.418 876 P HA 0.007 nan 4.420 nan 0.000 0.271 876 P C 1.149 178.473 177.300 0.040 0.000 1.220 876 P CA -0.343 62.782 63.100 0.042 0.000 0.768 876 P CB 1.054 32.775 31.700 0.035 0.000 0.848 877 V N 0.704 120.636 119.914 0.031 0.000 2.324 877 V HA -0.191 3.927 4.120 -0.003 0.000 0.250 877 V C 0.935 177.044 176.094 0.024 0.000 1.060 877 V CA 1.780 64.096 62.300 0.026 0.000 1.042 877 V CB -1.184 30.651 31.823 0.020 0.000 0.650 877 V HN 0.393 nan 8.190 nan 0.000 0.450 878 D N 1.493 121.906 120.400 0.023 0.000 2.348 878 D HA 0.075 4.713 4.640 -0.003 0.000 0.259 878 D C 1.515 177.832 176.300 0.028 0.000 1.296 878 D CA 0.915 54.927 54.000 0.021 0.000 0.931 878 D CB 1.113 41.923 40.800 0.016 0.000 1.067 878 D HN 0.648 nan 8.370 nan 0.000 0.503 879 S N 1.823 117.540 115.700 0.030 0.000 2.547 879 S HA -0.126 4.342 4.470 -0.003 0.000 0.235 879 S C 1.232 175.860 174.600 0.046 0.000 0.980 879 S CA 0.819 59.043 58.200 0.041 0.000 0.941 879 S CB -0.145 63.078 63.200 0.038 0.000 0.763 879 S HN 0.330 nan 8.310 nan 0.000 0.532 880 S N 0.035 115.754 115.700 0.032 0.000 2.730 880 S HA 0.393 4.861 4.470 -0.003 0.000 0.244 880 S C -0.110 174.502 174.600 0.020 0.000 1.022 880 S CA -0.694 57.523 58.200 0.028 0.000 1.014 880 S CB -0.284 62.923 63.200 0.012 0.000 0.963 880 S HN 0.409 nan 8.310 nan 0.000 0.540 881 L N 3.171 124.406 121.223 0.020 0.000 2.369 881 L HA 0.475 4.813 4.340 -0.003 0.000 0.279 881 L C 0.163 177.038 176.870 0.009 0.000 1.108 881 L CA -0.185 54.662 54.840 0.012 0.000 0.852 881 L CB 0.353 42.419 42.059 0.012 0.000 1.169 881 L HN 0.251 nan 8.230 nan 0.000 0.452 882 R N 5.147 125.646 120.500 -0.002 0.000 2.216 882 R HA 0.407 4.746 4.340 -0.003 0.000 0.332 882 R C -0.747 175.533 176.300 -0.033 0.000 1.056 882 R CA -0.486 55.601 56.100 -0.022 0.000 0.901 882 R CB 0.356 30.641 30.300 -0.025 0.000 1.039 882 R HN 0.781 nan 8.270 nan 0.000 0.456 883 L N 3.460 124.654 121.223 -0.048 0.000 2.456 883 L HA 0.171 4.510 4.340 -0.003 0.000 0.272 883 L C 0.522 177.359 176.870 -0.055 0.000 1.189 883 L CA -0.268 54.546 54.840 -0.042 0.000 0.846 883 L CB 0.909 42.943 42.059 -0.042 0.000 1.111 883 L HN 0.756 nan 8.230 nan 0.000 0.475 884 A N 3.647 126.453 122.820 -0.023 0.000 2.451 884 A HA 0.143 4.461 4.320 -0.003 0.000 0.266 884 A C 0.180 177.759 177.584 -0.007 0.000 1.119 884 A CA -0.397 51.632 52.037 -0.013 0.000 0.786 884 A CB -0.209 18.797 19.000 0.011 0.000 1.061 884 A HN 0.769 nan 8.150 nan 0.000 0.503 885 E N 1.114 121.294 120.200 -0.033 0.000 2.558 885 E HA 0.269 4.617 4.350 -0.003 0.000 0.255 885 E C 1.250 177.918 176.600 0.113 0.000 0.968 885 E CA 1.287 57.688 56.400 0.001 0.000 0.939 885 E CB 0.206 29.877 29.700 -0.048 0.000 0.921 885 E HN 1.180 nan 8.360 nan 0.000 0.477 886 G N 2.281 111.238 108.800 0.261 0.000 2.259 886 G HA2 -0.281 3.677 3.960 -0.003 0.000 0.217 886 G HA3 -0.281 3.677 3.960 -0.003 0.000 0.217 886 G C 0.448 175.478 174.900 0.217 0.000 1.001 886 G CA -0.286 44.985 45.100 0.285 0.000 0.627 886 G HN 0.856 nan 8.290 nan 0.000 0.501 887 A N 0.731 123.641 122.820 0.151 0.000 2.584 887 A HA 0.589 4.907 4.320 -0.003 0.000 0.239 887 A C 1.046 178.720 177.584 0.149 0.000 1.043 887 A CA 1.447 53.548 52.037 0.106 0.000 0.756 887 A CB 0.086 19.123 19.000 0.062 0.000 0.963 887 A HN 2.161 nan 8.150 nan 0.000 0.511 888 A N 2.578 125.464 122.820 0.110 0.000 2.354 888 A HA 0.583 4.902 4.320 -0.003 0.000 0.269 888 A C -0.333 177.305 177.584 0.090 0.000 1.109 888 A CA -0.359 51.748 52.037 0.118 0.000 0.800 888 A CB 0.140 19.184 19.000 0.074 0.000 1.045 888 A HN 0.737 nan 8.150 nan 0.000 0.489 889 L N 2.340 123.621 121.223 0.097 0.000 2.307 889 L HA 0.603 4.941 4.340 -0.003 0.000 0.284 889 L C 0.052 176.955 176.870 0.056 0.000 1.023 889 L CA -0.339 54.541 54.840 0.067 0.000 0.810 889 L CB 1.165 43.261 42.059 0.063 0.000 1.231 889 L HN 0.485 nan 8.230 nan 0.000 0.423 890 V N 2.901 122.839 119.914 0.041 0.000 2.769 890 V HA 0.856 4.975 4.120 -0.003 0.000 0.312 890 V C 0.092 176.201 176.094 0.026 0.000 1.061 890 V CA -0.797 61.523 62.300 0.032 0.000 0.931 890 V CB 2.093 33.932 31.823 0.027 0.000 1.010 890 V HN 0.937 nan 8.190 nan 0.000 0.433 891 A N 4.221 127.055 122.820 0.022 0.000 2.483 891 A HA 0.540 4.858 4.320 -0.003 0.000 0.238 891 A C 1.592 179.186 177.584 0.017 0.000 1.070 891 A CA 0.589 52.637 52.037 0.018 0.000 0.770 891 A CB 0.310 19.319 19.000 0.015 0.000 1.008 891 A HN 1.933 nan 8.150 nan 0.000 0.497 892 A N 1.549 124.379 122.820 0.015 0.000 1.948 892 A HA -0.205 4.114 4.320 -0.003 0.000 0.220 892 A C 1.525 179.116 177.584 0.012 0.000 1.177 892 A CA 2.126 54.171 52.037 0.014 0.000 0.636 892 A CB -0.496 18.512 19.000 0.013 0.000 0.815 892 A HN 0.928 nan 8.150 nan 0.000 0.449 893 D N -0.379 120.028 120.400 0.011 0.000 2.339 893 D HA 0.337 4.975 4.640 -0.003 0.000 0.217 893 D C 0.628 176.934 176.300 0.010 0.000 1.050 893 D CA 0.510 54.516 54.000 0.010 0.000 0.856 893 D CB -0.498 40.307 40.800 0.009 0.000 0.922 893 D HN 0.382 nan 8.370 nan 0.000 0.518 894 A N 0.884 123.711 122.820 0.012 0.000 2.440 894 A HA 0.468 4.787 4.320 -0.003 0.000 0.251 894 A C 0.452 178.042 177.584 0.011 0.000 1.089 894 A CA -0.374 51.670 52.037 0.012 0.000 0.779 894 A CB 0.594 19.602 19.000 0.014 0.000 1.022 894 A HN 0.285 nan 8.150 nan 0.000 0.492 895 V N -0.710 119.210 119.914 0.010 0.000 2.960 895 V HA 0.859 4.977 4.120 -0.003 0.000 0.315 895 V C 0.308 176.407 176.094 0.008 0.000 1.087 895 V CA -0.593 61.712 62.300 0.008 0.000 0.982 895 V CB 1.448 33.275 31.823 0.007 0.000 1.039 895 V HN 1.506 nan 8.190 nan 0.000 0.437 896 A N 2.121 124.945 122.820 0.007 0.000 2.539 896 A HA 0.603 4.921 4.320 -0.003 0.000 0.306 896 A C 0.479 178.066 177.584 0.005 0.000 1.392 896 A CA -0.000 52.041 52.037 0.006 0.000 1.060 896 A CB -0.613 18.390 19.000 0.006 0.000 1.134 896 A HN 0.892 nan 8.150 nan 0.000 0.542 897 S N 2.195 117.899 115.700 0.005 0.000 2.465 897 S HA 0.294 4.762 4.470 -0.003 0.000 0.279 897 S C 0.392 174.994 174.600 0.004 0.000 1.201 897 S CA -0.264 57.939 58.200 0.005 0.000 1.053 897 S CB 0.157 63.360 63.200 0.005 0.000 0.953 897 S HN 0.799 nan 8.310 nan 0.000 0.488 898 E N 1.952 122.154 120.200 0.003 0.000 2.360 898 E HA -0.261 4.087 4.350 -0.003 0.000 0.238 898 E C 0.881 177.482 176.600 0.002 0.000 1.186 898 E CA 0.452 56.853 56.400 0.002 0.000 0.719 898 E CB -1.664 28.037 29.700 0.002 0.000 1.236 898 E HN 1.241 nan 8.360 nan 0.000 0.386 899 G N -1.247 107.555 108.800 0.002 0.000 2.175 899 G HA2 -0.366 3.592 3.960 -0.003 0.000 0.265 899 G HA3 -0.366 3.592 3.960 -0.003 0.000 0.265 899 G C 0.305 175.206 174.900 0.002 0.000 0.979 899 G CA 0.496 45.597 45.100 0.002 0.000 0.663 899 G HN 0.374 nan 8.290 nan 0.000 0.533 900 V N 0.946 120.862 119.914 0.003 0.000 2.384 900 V HA 0.726 4.845 4.120 -0.003 0.000 0.287 900 V C 0.427 176.524 176.094 0.006 0.000 1.020 900 V CA 0.104 62.406 62.300 0.003 0.000 0.850 900 V CB 1.740 33.564 31.823 0.003 0.000 0.987 900 V HN 0.646 nan 8.190 nan 0.000 0.436 901 T N 4.857 119.415 114.554 0.007 0.000 2.770 901 T HA 0.575 4.923 4.350 -0.003 0.000 0.283 901 T C -2.462 172.246 174.700 0.013 0.000 0.988 901 T CA -1.875 60.231 62.100 0.010 0.000 0.957 901 T CB 1.375 70.250 68.868 0.011 0.000 0.930 901 T HN 0.467 nan 8.240 nan 0.000 0.443 902 P HA 0.147 nan 4.420 nan 0.000 0.263 902 P C -0.549 176.764 177.300 0.023 0.000 1.175 902 P CA 0.291 63.401 63.100 0.017 0.000 0.761 902 P CB 0.258 31.968 31.700 0.015 0.000 0.794 903 M N 2.364 121.981 119.600 0.029 0.000 2.472 903 M HA 0.157 4.635 4.480 -0.003 0.000 0.331 903 M C 1.182 177.511 176.300 0.048 0.000 1.170 903 M CA -0.517 54.809 55.300 0.042 0.000 1.009 903 M CB 1.775 34.406 32.600 0.052 0.000 1.672 903 M HN 0.253 nan 8.290 nan 0.000 0.453 904 E N 1.044 121.276 120.200 0.052 0.000 2.318 904 E HA 0.282 4.630 4.350 -0.003 0.000 0.193 904 E C 0.763 177.405 176.600 0.069 0.000 0.998 904 E CA 0.432 56.860 56.400 0.046 0.000 0.859 904 E CB 0.530 30.250 29.700 0.032 0.000 0.812 904 E HN 0.951 nan 8.360 nan 0.000 0.492 905 G N -0.148 108.721 108.800 0.115 0.000 2.368 905 G HA2 0.223 4.181 3.960 -0.003 0.000 0.269 905 G HA3 0.223 4.181 3.960 -0.003 0.000 0.269 905 G C -1.788 173.279 174.900 0.279 0.000 1.291 905 G CA -0.437 44.780 45.100 0.194 0.000 0.903 905 G HN 0.053 nan 8.290 nan 0.000 0.483 906 W N -0.476 120.838 121.300 0.023 0.000 3.137 906 W HA 0.666 5.325 4.660 -0.003 0.000 0.324 906 W C -1.282 175.250 176.519 0.023 0.000 1.253 906 W CA -1.301 56.054 57.345 0.017 0.000 1.183 906 W CB 0.809 30.276 29.460 0.012 0.000 1.424 906 W HN 0.680 nan 8.180 nan 0.000 0.566 907 V N 2.881 122.825 119.914 0.049 0.000 2.408 907 V HA 0.158 4.276 4.120 -0.003 0.000 0.267 907 V C 1.342 177.307 176.094 -0.215 0.000 1.047 907 V CA 0.751 62.980 62.300 -0.119 0.000 0.937 907 V CB 0.740 32.551 31.823 -0.020 0.000 0.999 907 V HN 0.719 nan 8.190 nan 0.000 0.472 908 T N 0.538 114.803 114.554 -0.483 0.000 3.031 908 T HA 0.145 4.494 4.350 -0.003 0.000 0.254 908 T C 0.603 175.059 174.700 -0.408 0.000 1.060 908 T CA 0.499 62.274 62.100 -0.543 0.000 1.135 908 T CB 0.086 68.642 68.868 -0.521 0.000 0.896 908 T HN 0.666 nan 8.240 nan 0.000 0.472 909 H N 0.279 119.219 119.070 -0.218 0.000 2.894 909 H HA 0.708 5.263 4.556 -0.003 0.000 0.367 909 H C -1.312 173.707 175.328 -0.514 0.000 1.144 909 H CA -0.880 54.979 56.048 -0.315 0.000 1.180 909 H CB 2.247 31.934 29.762 -0.125 0.000 1.758 909 H HN 0.404 nan 8.280 nan 0.000 0.541 910 A N 2.873 125.253 122.820 -0.734 0.000 2.427 910 A HA 0.651 4.970 4.320 -0.003 0.000 0.298 910 A C -1.940 175.002 177.584 -1.070 0.000 1.036 910 A CA -0.554 51.052 52.037 -0.719 0.000 0.701 910 A CB 1.263 20.042 19.000 -0.369 0.000 1.250 910 A HN 0.566 nan 8.150 nan 0.000 0.412 911 Y N 0.438 120.516 120.300 -0.371 0.000 2.581 911 Y HA 0.473 5.021 4.550 -0.003 0.000 0.345 911 Y C 0.308 176.180 175.900 -0.047 0.000 1.036 911 Y CA -0.840 57.156 58.100 -0.173 0.000 1.042 911 Y CB 2.064 40.441 38.460 -0.137 0.000 1.289 911 Y HN 0.738 nan 8.280 nan 0.000 0.471 912 N N 1.316 120.138 118.700 0.203 0.000 2.439 912 N HA 0.252 4.990 4.740 -0.003 0.000 0.249 912 N C -1.201 174.466 175.510 0.262 0.000 1.003 912 N CA -0.230 52.957 53.050 0.229 0.000 0.942 912 N CB 0.659 39.268 38.487 0.203 0.000 1.115 912 N HN 0.671 nan 8.380 nan 0.000 0.505 913 S N 3.877 119.722 115.700 0.242 0.000 2.422 913 S HA 0.367 4.835 4.470 -0.003 0.000 0.308 913 S C -1.943 172.586 174.600 -0.119 0.000 1.097 913 S CA -1.340 56.889 58.200 0.047 0.000 1.099 913 S CB 1.933 65.188 63.200 0.092 0.000 0.976 913 S HN 0.410 nan 8.310 nan 0.000 0.471 914 P HA -0.215 nan 4.420 nan 0.000 0.213 914 P C 1.820 178.953 177.300 -0.278 0.000 1.176 914 P CA 2.390 65.129 63.100 -0.602 0.000 0.919 914 P CB -0.201 30.982 31.700 -0.862 0.000 0.791 915 A N -0.819 121.771 122.820 -0.384 0.000 1.929 915 A HA -0.234 4.085 4.320 -0.003 0.000 0.221 915 A C 2.156 179.629 177.584 -0.185 0.000 1.211 915 A CA 2.295 54.070 52.037 -0.435 0.000 0.657 915 A CB -1.827 16.512 19.000 -1.102 0.000 0.827 915 A HN 0.197 nan 8.150 nan 0.000 0.462 916 L N -1.746 119.379 121.223 -0.164 0.000 2.567 916 L HA 0.254 4.593 4.340 -0.003 0.000 0.225 916 L C 1.768 178.641 176.870 0.006 0.000 1.119 916 L CA 0.441 55.252 54.840 -0.049 0.000 0.871 916 L CB -0.202 41.790 42.059 -0.112 0.000 1.036 916 L HN 0.623 nan 8.230 nan 0.000 0.459 917 G N 1.457 110.269 108.800 0.020 0.000 2.175 917 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.265 917 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.265 917 G C 0.371 175.328 174.900 0.094 0.000 0.979 917 G CA 0.806 45.949 45.100 0.071 0.000 0.663 917 G HN 0.539 nan 8.290 nan 0.000 0.533 918 R N -1.288 119.274 120.500 0.104 0.000 2.752 918 R HA 0.650 4.988 4.340 -0.003 0.000 0.271 918 R C -0.061 176.349 176.300 0.183 0.000 1.026 918 R CA -0.070 56.102 56.100 0.120 0.000 0.901 918 R CB 0.151 30.504 30.300 0.088 0.000 1.243 918 R HN 0.493 nan 8.270 nan 0.000 0.463 919 T N -0.231 114.423 114.554 0.167 0.000 2.913 919 T HA 0.554 4.902 4.350 -0.003 0.000 0.297 919 T C 0.054 174.919 174.700 0.276 0.000 1.029 919 T CA -0.378 61.837 62.100 0.192 0.000 1.104 919 T CB 0.313 69.237 68.868 0.094 0.000 0.964 919 T HN 0.501 nan 8.240 nan 0.000 0.532 920 F N -1.138 118.841 119.950 0.049 0.000 2.741 920 F HA 0.818 5.344 4.527 -0.003 0.000 0.313 920 F C -0.498 175.327 175.800 0.041 0.000 1.153 920 F CA -1.109 56.914 58.000 0.039 0.000 0.931 920 F CB 1.099 40.122 39.000 0.038 0.000 1.335 920 F HN 0.949 nan 8.300 nan 0.000 0.460 921 G N 1.189 109.868 108.800 -0.202 0.000 2.680 921 G HA2 0.633 4.591 3.960 -0.003 0.000 0.290 921 G HA3 0.633 4.591 3.960 -0.003 0.000 0.290 921 G C -2.059 172.841 174.900 -0.000 0.000 1.355 921 G CA -1.226 43.656 45.100 -0.364 0.000 0.903 921 G HN 0.836 nan 8.290 nan 0.000 0.474 922 L N 0.231 121.450 121.223 -0.007 0.000 2.357 922 L HA 0.739 5.077 4.340 -0.003 0.000 0.273 922 L C 0.472 177.314 176.870 -0.046 0.000 1.080 922 L CA -0.623 54.246 54.840 0.049 0.000 0.803 922 L CB 1.595 43.675 42.059 0.036 0.000 1.174 922 L HN 0.727 nan 8.230 nan 0.000 0.443 923 A N 3.152 125.927 122.820 -0.075 0.000 2.594 923 A HA 0.725 5.043 4.320 -0.003 0.000 0.295 923 A C -1.380 176.100 177.584 -0.174 0.000 1.071 923 A CA -0.539 51.389 52.037 -0.183 0.000 0.685 923 A CB 1.516 20.453 19.000 -0.106 0.000 1.285 923 A HN 0.602 nan 8.150 nan 0.000 0.405 924 L N 2.690 123.733 121.223 -0.300 0.000 2.276 924 L HA 0.530 4.868 4.340 -0.003 0.000 0.286 924 L C -0.933 175.906 176.870 -0.051 0.000 1.024 924 L CA -0.353 54.388 54.840 -0.166 0.000 0.826 924 L CB 0.983 42.900 42.059 -0.237 0.000 1.211 924 L HN 0.496 nan 8.230 nan 0.000 0.422 925 I N 3.077 123.645 120.570 -0.004 0.000 2.545 925 I HA 0.253 4.421 4.170 -0.003 0.000 0.292 925 I C 0.073 176.157 176.117 -0.054 0.000 1.040 925 I CA -0.904 60.395 61.300 -0.002 0.000 1.068 925 I CB 2.107 40.107 38.000 0.001 0.000 1.251 925 I HN 0.532 nan 8.210 nan 0.000 0.424 926 K N 4.671 125.041 120.400 -0.050 0.000 2.367 926 K HA -0.098 4.220 4.320 -0.003 0.000 0.275 926 K C 0.478 176.955 176.600 -0.206 0.000 1.125 926 K CA 0.504 56.724 56.287 -0.111 0.000 1.133 926 K CB -0.159 32.312 32.500 -0.048 0.000 0.875 926 K HN 0.575 nan 8.250 nan 0.000 0.467 927 N N 1.481 119.884 118.700 -0.495 0.000 2.901 927 N HA -0.147 4.591 4.740 -0.003 0.000 0.248 927 N C 0.934 176.314 175.510 -0.216 0.000 1.044 927 N CA 1.070 53.806 53.050 -0.523 0.000 0.847 927 N CB -1.236 37.142 38.487 -0.181 0.000 1.127 927 N HN 0.764 nan 8.380 nan 0.000 0.562 928 G N -0.109 108.603 108.800 -0.146 0.000 2.485 928 G HA2 -0.298 3.660 3.960 -0.003 0.000 0.221 928 G HA3 -0.298 3.660 3.960 -0.003 0.000 0.221 928 G C 1.495 176.485 174.900 0.150 0.000 1.115 928 G CA 1.171 46.303 45.100 0.052 0.000 0.751 928 G HN 0.521 nan 8.290 nan 0.000 0.567 929 R N -0.029 120.678 120.500 0.345 0.000 2.120 929 R HA -0.016 4.322 4.340 -0.003 0.000 0.234 929 R C 1.228 177.607 176.300 0.132 0.000 1.123 929 R CA 1.018 57.246 56.100 0.214 0.000 0.975 929 R CB -0.074 30.320 30.300 0.157 0.000 0.866 929 R HN 0.259 nan 8.270 nan 0.000 0.446 930 N N 0.416 119.198 118.700 0.136 0.000 2.276 930 N HA 0.040 4.778 4.740 -0.003 0.000 0.212 930 N C 0.234 175.773 175.510 0.048 0.000 1.127 930 N CA 0.356 53.453 53.050 0.078 0.000 0.834 930 N CB 0.697 39.230 38.487 0.077 0.000 1.014 930 N HN 0.155 nan 8.380 nan 0.000 0.491 931 R N 0.141 120.669 120.500 0.047 0.000 2.590 931 R HA 0.292 4.630 4.340 -0.003 0.000 0.410 931 R C -0.105 176.212 176.300 0.030 0.000 1.010 931 R CA -0.387 55.731 56.100 0.030 0.000 1.155 931 R CB 0.928 31.241 30.300 0.021 0.000 1.455 931 R HN -0.004 nan 8.270 nan 0.000 0.567 932 I N 1.177 121.767 120.570 0.033 0.000 2.826 932 I HA -0.072 4.097 4.170 -0.003 0.000 0.295 932 I C 1.453 177.582 176.117 0.019 0.000 1.213 932 I CA 1.587 62.902 61.300 0.026 0.000 1.436 932 I CB -0.153 37.860 38.000 0.021 0.000 1.348 932 I HN 0.639 nan 8.210 nan 0.000 0.570 933 G N 4.787 113.598 108.800 0.018 0.000 2.234 933 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.235 933 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.235 933 G C 0.313 175.223 174.900 0.016 0.000 0.997 933 G CA 0.143 45.252 45.100 0.014 0.000 0.623 933 G HN 0.680 nan 8.290 nan 0.000 0.514 934 E N 0.626 120.837 120.200 0.018 0.000 2.373 934 E HA 0.434 4.782 4.350 -0.003 0.000 0.267 934 E C -0.041 176.570 176.600 0.018 0.000 1.032 934 E CA -0.391 56.019 56.400 0.017 0.000 0.889 934 E CB 0.922 30.632 29.700 0.016 0.000 0.984 934 E HN 0.099 nan 8.360 nan 0.000 0.425 935 V N 6.596 126.520 119.914 0.017 0.000 2.385 935 V HA 0.209 4.327 4.120 -0.003 0.000 0.269 935 V C 0.244 176.349 176.094 0.019 0.000 1.043 935 V CA -0.209 62.101 62.300 0.018 0.000 0.906 935 V CB 0.640 32.473 31.823 0.016 0.000 0.995 935 V HN 0.603 nan 8.190 nan 0.000 0.467 936 L N 5.145 126.381 121.223 0.021 0.000 2.358 936 L HA 0.636 4.975 4.340 -0.003 0.000 0.268 936 L C -0.010 176.874 176.870 0.023 0.000 1.032 936 L CA -0.853 54.000 54.840 0.023 0.000 0.805 936 L CB 1.797 43.872 42.059 0.026 0.000 1.253 936 L HN 0.477 nan 8.230 nan 0.000 0.452 937 K N -0.137 120.277 120.400 0.024 0.000 2.328 937 K HA 0.684 5.002 4.320 -0.003 0.000 0.246 937 K C -1.355 175.261 176.600 0.027 0.000 0.955 937 K CA -0.569 55.732 56.287 0.023 0.000 0.817 937 K CB 2.301 34.812 32.500 0.019 0.000 1.208 937 K HN 0.520 nan 8.250 nan 0.000 0.432 938 T N 2.324 116.893 114.554 0.025 0.000 2.952 938 T HA 0.379 4.728 4.350 -0.003 0.000 0.305 938 T C -2.871 171.842 174.700 0.022 0.000 1.064 938 T CA -1.630 60.486 62.100 0.027 0.000 1.008 938 T CB 1.846 70.731 68.868 0.028 0.000 1.078 938 T HN 0.311 nan 8.240 nan 0.000 0.459 939 P HA 0.593 nan 4.420 nan 0.000 0.292 939 P C -1.170 176.139 177.300 0.015 0.000 1.287 939 P CA -0.600 62.510 63.100 0.017 0.000 0.800 939 P CB 0.966 32.675 31.700 0.016 0.000 0.945 940 V N 2.688 122.610 119.914 0.012 0.000 2.709 940 V HA 0.213 4.331 4.120 -0.003 0.000 0.308 940 V C -0.171 175.929 176.094 0.009 0.000 1.062 940 V CA -0.704 61.602 62.300 0.010 0.000 0.901 940 V CB 1.577 33.406 31.823 0.010 0.000 1.003 940 V HN 0.489 nan 8.190 nan 0.000 0.425 941 D N 3.808 124.212 120.400 0.008 0.000 2.764 941 D HA -0.176 4.462 4.640 -0.003 0.000 0.223 941 D C 1.285 177.589 176.300 0.007 0.000 1.207 941 D CA 2.056 56.060 54.000 0.007 0.000 0.614 941 D CB -0.933 39.870 40.800 0.006 0.000 1.007 941 D HN 1.422 nan 8.370 nan 0.000 0.407 942 G N -1.128 107.677 108.800 0.007 0.000 2.313 942 G HA2 -0.291 3.667 3.960 -0.003 0.000 0.215 942 G HA3 -0.291 3.667 3.960 -0.003 0.000 0.215 942 G C 0.235 175.139 174.900 0.007 0.000 1.023 942 G CA 0.197 45.301 45.100 0.007 0.000 0.626 942 G HN 0.487 nan 8.290 nan 0.000 0.503 943 Q N -0.307 119.497 119.800 0.008 0.000 2.433 943 Q HA 0.770 5.108 4.340 -0.003 0.000 0.279 943 Q C -0.125 175.881 176.000 0.010 0.000 1.105 943 Q CA -0.743 55.065 55.803 0.009 0.000 0.815 943 Q CB 2.128 30.870 28.738 0.008 0.000 1.403 943 Q HN 0.305 nan 8.270 nan 0.000 0.435 944 L N 1.508 122.738 121.223 0.011 0.000 2.418 944 L HA 0.314 4.653 4.340 -0.003 0.000 0.274 944 L C -0.629 176.249 176.870 0.013 0.000 1.135 944 L CA -0.422 54.426 54.840 0.013 0.000 0.870 944 L CB 0.167 42.234 42.059 0.014 0.000 1.154 944 L HN 0.308 nan 8.230 nan 0.000 0.462 945 V N 1.601 121.524 119.914 0.014 0.000 2.850 945 V HA 0.344 4.462 4.120 -0.003 0.000 0.315 945 V C -0.406 175.698 176.094 0.017 0.000 1.064 945 V CA -0.993 61.316 62.300 0.014 0.000 0.979 945 V CB 2.084 33.916 31.823 0.013 0.000 1.039 945 V HN 0.546 nan 8.190 nan 0.000 0.452 946 D N 2.137 122.547 120.400 0.017 0.000 2.249 946 D HA 0.461 5.099 4.640 -0.003 0.000 0.246 946 D C -0.259 176.054 176.300 0.022 0.000 1.114 946 D CA 0.086 54.097 54.000 0.019 0.000 0.854 946 D CB 1.783 42.593 40.800 0.017 0.000 1.132 946 D HN 0.525 nan 8.370 nan 0.000 0.461 947 V N 0.395 120.324 119.914 0.024 0.000 2.628 947 V HA 0.534 4.652 4.120 -0.003 0.000 0.306 947 V C -0.613 175.498 176.094 0.029 0.000 1.045 947 V CA -0.916 61.401 62.300 0.029 0.000 0.905 947 V CB 2.009 33.850 31.823 0.030 0.000 0.997 947 V HN 0.452 nan 8.190 nan 0.000 0.436 948 Q N 3.353 123.173 119.800 0.033 0.000 2.307 948 Q HA 0.646 4.985 4.340 -0.003 0.000 0.262 948 Q C -0.447 175.573 176.000 0.035 0.000 0.961 948 Q CA -0.834 54.987 55.803 0.030 0.000 0.882 948 Q CB 2.058 30.812 28.738 0.027 0.000 1.264 948 Q HN 1.281 nan 8.270 nan 0.000 0.446 949 V N 1.483 121.415 119.914 0.031 0.000 2.637 949 V HA 0.593 4.711 4.120 -0.003 0.000 0.296 949 V C -0.221 175.893 176.094 0.033 0.000 1.046 949 V CA -0.060 62.260 62.300 0.034 0.000 1.066 949 V CB 1.133 32.974 31.823 0.031 0.000 0.968 949 V HN 0.717 nan 8.190 nan 0.000 0.483 950 S N 1.589 117.312 115.700 0.037 0.000 2.625 950 S HA 0.366 4.835 4.470 -0.003 0.000 0.271 950 S C -0.973 173.642 174.600 0.025 0.000 1.161 950 S CA -0.796 57.421 58.200 0.028 0.000 0.820 950 S CB 1.725 64.942 63.200 0.028 0.000 1.137 950 S HN 0.988 nan 8.310 nan 0.000 0.470 951 D N 2.045 122.449 120.400 0.006 0.000 2.472 951 D HA 0.007 4.645 4.640 -0.003 0.000 0.237 951 D C 1.238 177.536 176.300 -0.003 0.000 1.141 951 D CA -0.094 53.905 54.000 -0.002 0.000 0.875 951 D CB 0.714 41.498 40.800 -0.026 0.000 1.192 951 D HN 0.359 nan 8.370 nan 0.000 0.450 952 L N 3.352 124.578 121.223 0.006 0.000 2.012 952 L HA -0.156 4.182 4.340 -0.003 0.000 0.210 952 L C 0.573 177.420 176.870 -0.038 0.000 1.073 952 L CA 1.670 56.516 54.840 0.010 0.000 0.748 952 L CB 0.052 42.130 42.059 0.031 0.000 0.891 952 L HN 0.234 nan 8.230 nan 0.000 0.431 953 V N 1.413 121.287 119.914 -0.066 0.000 2.334 953 V HA 0.109 4.227 4.120 -0.003 0.000 0.267 953 V C 0.981 176.992 176.094 -0.139 0.000 1.040 953 V CA -0.398 61.827 62.300 -0.126 0.000 0.866 953 V CB 1.050 32.797 31.823 -0.128 0.000 1.019 953 V HN 0.194 nan 8.190 nan 0.000 0.468 954 L N 4.181 125.293 121.223 -0.184 0.000 2.354 954 L HA 0.351 4.689 4.340 -0.003 0.000 0.212 954 L C 0.382 177.178 176.870 -0.123 0.000 1.091 954 L CA 1.134 55.861 54.840 -0.189 0.000 0.828 954 L CB -0.343 41.513 42.059 -0.337 0.000 0.973 954 L HN 0.578 nan 8.230 nan 0.000 0.461 955 F N 0.311 120.079 119.950 -0.303 0.000 2.427 955 F HA 0.364 4.889 4.527 -0.002 0.000 0.348 955 F C 0.210 175.873 175.800 -0.228 0.000 1.125 955 F CA -1.277 56.563 58.000 -0.266 0.000 0.989 955 F CB 0.482 39.302 39.000 -0.300 0.000 1.165 955 F HN 0.085 nan 8.300 nan 0.000 0.442 956 D N 5.790 125.694 120.400 -0.827 0.000 2.705 956 D HA -0.164 4.474 4.640 -0.003 0.000 0.240 956 D C -1.933 174.152 176.300 -0.358 0.000 1.137 956 D CA 0.449 54.053 54.000 -0.659 0.000 0.677 956 D CB -0.193 40.122 40.800 -0.807 0.000 1.049 956 D HN 0.371 nan 8.370 nan 0.000 0.427 957 P HA -0.187 nan 4.420 nan 0.000 0.216 957 P C 1.139 178.325 177.300 -0.190 0.000 1.157 957 P CA 1.263 64.245 63.100 -0.198 0.000 0.880 957 P CB 0.125 31.730 31.700 -0.158 0.000 0.791 958 E N -1.533 118.551 120.200 -0.193 0.000 2.478 958 E HA 0.046 4.394 4.350 -0.003 0.000 0.198 958 E C 1.423 177.908 176.600 -0.192 0.000 1.046 958 E CA 0.969 57.265 56.400 -0.174 0.000 0.870 958 E CB -0.911 28.697 29.700 -0.153 0.000 0.818 958 E HN 0.310 nan 8.360 nan 0.000 0.527 959 G N 2.070 110.738 108.800 -0.221 0.000 2.176 959 G HA2 -0.363 3.595 3.960 -0.003 0.000 0.252 959 G HA3 -0.363 3.595 3.960 -0.003 0.000 0.252 959 G C 1.122 175.888 174.900 -0.223 0.000 1.024 959 G CA 0.907 45.869 45.100 -0.229 0.000 0.755 959 G HN 0.417 nan 8.290 nan 0.000 0.507 960 S N -0.269 115.302 115.700 -0.214 0.000 2.400 960 S HA -0.124 4.344 4.470 -0.003 0.000 0.232 960 S C 2.048 176.549 174.600 -0.165 0.000 1.025 960 S CA 1.486 59.578 58.200 -0.181 0.000 0.993 960 S CB -0.242 62.853 63.200 -0.176 0.000 0.808 960 S HN 0.674 nan 8.310 nan 0.000 0.478 961 R N 0.582 120.977 120.500 -0.176 0.000 2.313 961 R HA 0.223 4.562 4.340 -0.003 0.000 0.199 961 R C 2.409 178.641 176.300 -0.113 0.000 0.958 961 R CA 0.205 56.231 56.100 -0.122 0.000 1.047 961 R CB -0.284 29.964 30.300 -0.087 0.000 0.955 961 R HN 0.485 nan 8.270 nan 0.000 0.481 962 R N 1.149 121.548 120.500 -0.168 0.000 2.105 962 R HA -0.101 4.238 4.340 -0.003 0.000 0.239 962 R C 0.110 176.314 176.300 -0.160 0.000 1.135 962 R CA 1.462 57.430 56.100 -0.221 0.000 0.967 962 R CB 0.171 30.221 30.300 -0.416 0.000 0.861 962 R HN 0.164 nan 8.270 nan 0.000 0.442 963 D N 0.000 120.323 120.400 -0.128 0.000 6.856 963 D HA 0.000 4.638 4.640 -0.003 0.000 0.175 963 D CA 0.000 53.956 54.000 -0.074 0.000 0.868 963 D CB 0.000 40.763 40.800 -0.062 0.000 0.688 963 D HN 0.000 nan 8.370 nan 0.000 0.683