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 1x31_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 2.081 122.475 120.400 -0.010 0.000 2.185 2 K HA 0.465 4.783 4.320 -0.003 0.000 0.271 2 K C -2.371 174.217 176.600 -0.020 0.000 1.013 2 K CA -1.770 54.506 56.287 -0.018 0.000 0.943 2 K CB 0.246 32.734 32.500 -0.020 0.000 0.998 2 K HN 0.300 nan 8.250 nan 0.000 0.468 3 P HA -0.047 nan 4.420 nan 0.000 0.272 3 P C -1.346 175.938 177.300 -0.027 0.000 1.240 3 P CA -0.130 62.947 63.100 -0.038 0.000 0.791 3 P CB 0.665 32.318 31.700 -0.079 0.000 0.978 4 Q N -1.035 118.759 119.800 -0.010 0.000 2.522 4 Q HA 0.558 4.896 4.340 -0.003 0.000 0.285 4 Q C -1.162 174.858 176.000 0.034 0.000 0.982 4 Q CA -1.255 54.552 55.803 0.007 0.000 0.805 4 Q CB 1.358 30.104 28.738 0.014 0.000 1.457 4 Q HN 0.179 nan 8.270 nan 0.000 0.394 5 R N 1.270 121.802 120.500 0.052 0.000 2.357 5 R HA 0.507 4.846 4.340 -0.003 0.000 0.296 5 R C -0.846 175.505 176.300 0.085 0.000 1.052 5 R CA -0.168 55.989 56.100 0.094 0.000 0.988 5 R CB 0.619 31.000 30.300 0.135 0.000 1.025 5 R HN 0.698 nan 8.270 nan 0.000 0.469 6 L N 2.372 123.646 121.223 0.086 0.000 2.454 6 L HA 0.335 4.674 4.340 -0.003 0.000 0.256 6 L C 0.492 177.402 176.870 0.065 0.000 1.136 6 L CA -0.722 54.158 54.840 0.066 0.000 0.804 6 L CB 1.124 43.218 42.059 0.058 0.000 1.181 6 L HN 0.884 nan 8.230 nan 0.000 0.469 7 S N 0.245 115.974 115.700 0.048 0.000 2.566 7 S HA 0.084 4.552 4.470 -0.003 0.000 0.280 7 S C 1.031 175.648 174.600 0.028 0.000 1.343 7 S CA -0.085 58.139 58.200 0.040 0.000 1.036 7 S CB 1.220 64.438 63.200 0.029 0.000 0.866 7 S HN 0.694 nan 8.310 nan 0.000 0.526 8 A N 2.939 125.768 122.820 0.015 0.000 1.978 8 A HA 0.119 4.437 4.320 -0.003 0.000 0.220 8 A C 2.422 179.999 177.584 -0.011 0.000 1.170 8 A CA 1.805 53.833 52.037 -0.015 0.000 0.636 8 A CB -1.610 17.369 19.000 -0.036 0.000 0.810 8 A HN 1.430 nan 8.150 nan 0.000 0.448 9 A N -0.663 122.157 122.820 -0.001 0.000 1.930 9 A HA -0.183 4.135 4.320 -0.003 0.000 0.217 9 A C 2.034 179.620 177.584 0.003 0.000 1.175 9 A CA 1.552 53.588 52.037 -0.001 0.000 0.627 9 A CB -0.451 18.551 19.000 0.004 0.000 0.815 9 A HN 0.664 nan 8.150 nan 0.000 0.443 10 Q N -0.650 119.156 119.800 0.010 0.000 2.432 10 Q HA -0.010 4.328 4.340 -0.003 0.000 0.205 10 Q C 0.838 176.847 176.000 0.015 0.000 0.945 10 Q CA 1.179 56.991 55.803 0.014 0.000 0.924 10 Q CB 0.022 28.773 28.738 0.022 0.000 1.016 10 Q HN 0.764 nan 8.270 nan 0.000 0.503 11 T N -3.039 111.521 114.554 0.011 0.000 3.293 11 T HA 0.570 4.918 4.350 -0.003 0.000 0.276 11 T C 0.250 174.945 174.700 -0.009 0.000 1.003 11 T CA -0.405 61.701 62.100 0.010 0.000 0.916 11 T CB 0.467 69.351 68.868 0.027 0.000 1.134 11 T HN 0.123 nan 8.240 nan 0.000 0.530 12 A N 0.314 123.127 122.820 -0.013 0.000 2.520 12 A HA 0.599 4.918 4.320 -0.003 0.000 0.245 12 A C 1.637 179.209 177.584 -0.021 0.000 1.072 12 A CA 0.418 52.442 52.037 -0.022 0.000 0.761 12 A CB -0.831 18.158 19.000 -0.017 0.000 1.004 12 A HN 1.601 nan 8.150 nan 0.000 0.499 13 G N 0.725 109.507 108.800 -0.029 0.000 2.213 13 G HA2 0.181 4.140 3.960 -0.003 0.000 0.226 13 G HA3 0.181 4.140 3.960 -0.003 0.000 0.226 13 G C 0.615 175.488 174.900 -0.045 0.000 0.992 13 G CA 0.246 45.328 45.100 -0.031 0.000 0.632 13 G HN 2.160 nan 8.290 nan 0.000 0.511 14 A N 0.634 123.429 122.820 -0.042 0.000 2.462 14 A HA 0.587 4.905 4.320 -0.003 0.000 0.243 14 A C 1.094 178.636 177.584 -0.071 0.000 1.076 14 A CA 0.115 52.118 52.037 -0.056 0.000 0.773 14 A CB 0.198 19.192 19.000 -0.010 0.000 1.010 14 A HN 0.299 nan 8.150 nan 0.000 0.493 15 R N 1.448 121.870 120.500 -0.129 0.000 4.624 15 R HA 0.149 4.487 4.340 -0.003 0.000 0.214 15 R C -0.204 176.085 176.300 -0.018 0.000 2.026 15 R CA 0.319 56.356 56.100 -0.106 0.000 1.676 15 R CB -1.566 28.619 30.300 -0.192 0.000 1.291 15 R HN 0.726 nan 8.270 nan 0.000 0.739 16 I N -3.057 117.522 120.570 0.016 0.000 2.828 16 I HA 0.449 4.617 4.170 -0.003 0.000 0.302 16 I C -0.422 175.686 176.117 -0.015 0.000 1.101 16 I CA -1.242 60.105 61.300 0.078 0.000 1.031 16 I CB 2.337 40.434 38.000 0.163 0.000 1.231 16 I HN -0.257 nan 8.210 nan 0.000 0.427 17 N N 3.156 121.858 118.700 0.004 0.000 2.609 17 N HA 0.345 5.084 4.740 -0.003 0.000 0.234 17 N C 0.261 175.653 175.510 -0.197 0.000 1.001 17 N CA -0.454 52.561 53.050 -0.058 0.000 0.926 17 N CB 1.040 39.539 38.487 0.021 0.000 1.130 17 N HN 0.647 nan 8.380 nan 0.000 0.510 18 R N 1.096 121.330 120.500 -0.444 0.000 2.357 18 R HA 0.005 4.343 4.340 -0.003 0.000 0.202 18 R C -0.086 176.055 176.300 -0.265 0.000 1.047 18 R CA 0.698 56.304 56.100 -0.824 0.000 1.034 18 R CB 0.360 30.241 30.300 -0.699 0.000 0.875 18 R HN 0.489 nan 8.270 nan 0.000 0.473 19 D N 0.129 120.472 120.400 -0.096 0.000 2.339 19 D HA -0.037 4.602 4.640 -0.003 0.000 0.217 19 D C -0.075 176.269 176.300 0.073 0.000 1.050 19 D CA 0.560 54.562 54.000 0.004 0.000 0.856 19 D CB 0.445 41.240 40.800 -0.007 0.000 0.922 19 D HN 0.229 nan 8.370 nan 0.000 0.518 20 E N 0.974 121.251 120.200 0.129 0.000 2.873 20 E HA 0.456 4.804 4.350 -0.003 0.000 0.232 20 E C -1.016 175.749 176.600 0.274 0.000 1.123 20 E CA -0.461 56.036 56.400 0.160 0.000 0.809 20 E CB 0.816 30.586 29.700 0.116 0.000 1.366 20 E HN -0.049 nan 8.360 nan 0.000 0.400 21 A N 3.979 126.959 122.820 0.267 0.000 2.407 21 A HA 0.585 4.904 4.320 -0.003 0.000 0.248 21 A C -0.518 177.099 177.584 0.054 0.000 1.082 21 A CA -0.053 52.092 52.037 0.180 0.000 0.785 21 A CB 0.395 19.460 19.000 0.108 0.000 1.020 21 A HN 0.648 nan 8.150 nan 0.000 0.489 22 L N 0.358 121.560 121.223 -0.036 0.000 2.341 22 L HA 0.738 5.076 4.340 -0.003 0.000 0.254 22 L C 0.119 176.946 176.870 -0.071 0.000 1.040 22 L CA -0.764 54.061 54.840 -0.025 0.000 0.837 22 L CB 2.758 44.821 42.059 0.007 0.000 1.425 22 L HN 0.871 nan 8.230 nan 0.000 0.414 23 T N -0.237 114.290 114.554 -0.045 0.000 2.906 23 T HA 0.851 5.200 4.350 -0.003 0.000 0.295 23 T C -0.824 173.854 174.700 -0.037 0.000 1.061 23 T CA -0.707 61.361 62.100 -0.053 0.000 1.000 23 T CB 2.030 70.872 68.868 -0.042 0.000 1.103 23 T HN 0.692 nan 8.240 nan 0.000 0.486 24 L N -1.298 119.900 121.223 -0.042 0.000 2.630 24 L HA 0.975 5.314 4.340 -0.003 0.000 0.258 24 L C -1.262 175.588 176.870 -0.035 0.000 1.072 24 L CA -1.089 53.732 54.840 -0.031 0.000 0.885 24 L CB 1.812 43.852 42.059 -0.030 0.000 1.502 24 L HN 0.683 nan 8.230 nan 0.000 0.406 25 T N 0.590 115.126 114.554 -0.030 0.000 2.861 25 T HA 0.695 5.044 4.350 -0.003 0.000 0.287 25 T C -0.994 173.687 174.700 -0.031 0.000 1.003 25 T CA -0.484 61.598 62.100 -0.030 0.000 0.977 25 T CB 2.056 70.909 68.868 -0.025 0.000 0.996 25 T HN 0.483 nan 8.240 nan 0.000 0.448 26 V N 2.833 122.726 119.914 -0.035 0.000 2.409 26 V HA 0.333 4.451 4.120 -0.003 0.000 0.290 26 V C -0.514 175.560 176.094 -0.034 0.000 1.017 26 V CA -0.887 61.392 62.300 -0.036 0.000 0.841 26 V CB 1.289 33.087 31.823 -0.042 0.000 1.003 26 V HN 1.023 nan 8.190 nan 0.000 0.426 27 D N 4.423 124.804 120.400 -0.031 0.000 2.697 27 D HA -0.149 4.489 4.640 -0.003 0.000 0.238 27 D C 1.322 177.606 176.300 -0.027 0.000 1.152 27 D CA 1.943 55.925 54.000 -0.029 0.000 0.666 27 D CB -0.963 39.818 40.800 -0.031 0.000 1.037 27 D HN 1.415 nan 8.370 nan 0.000 0.423 28 G N -0.260 108.526 108.800 -0.025 0.000 2.175 28 G HA2 -0.384 3.574 3.960 -0.003 0.000 0.265 28 G HA3 -0.384 3.574 3.960 -0.003 0.000 0.265 28 G C 0.199 175.085 174.900 -0.024 0.000 0.979 28 G CA 0.663 45.750 45.100 -0.023 0.000 0.663 28 G HN 0.678 nan 8.290 nan 0.000 0.533 29 Q N -0.068 119.716 119.800 -0.028 0.000 2.331 29 Q HA 0.532 4.870 4.340 -0.003 0.000 0.267 29 Q C 0.026 176.006 176.000 -0.033 0.000 1.006 29 Q CA -0.694 55.092 55.803 -0.030 0.000 0.818 29 Q CB 0.890 29.609 28.738 -0.032 0.000 1.276 29 Q HN 0.428 nan 8.270 nan 0.000 0.450 30 Q N 4.372 124.153 119.800 -0.032 0.000 2.286 30 Q HA 0.381 4.719 4.340 -0.003 0.000 0.257 30 Q C -1.327 174.645 176.000 -0.046 0.000 0.941 30 Q CA -0.103 55.678 55.803 -0.036 0.000 0.912 30 Q CB 0.651 29.369 28.738 -0.032 0.000 1.192 30 Q HN 0.630 nan 8.270 nan 0.000 0.410 31 L N 1.945 123.135 121.223 -0.055 0.000 2.341 31 L HA 0.542 4.880 4.340 -0.003 0.000 0.267 31 L C -0.416 176.399 176.870 -0.092 0.000 1.009 31 L CA -0.979 53.818 54.840 -0.071 0.000 0.819 31 L CB 2.362 44.378 42.059 -0.073 0.000 1.323 31 L HN 0.581 nan 8.230 nan 0.000 0.425 32 S N 0.479 116.104 115.700 -0.124 0.000 2.565 32 S HA 0.877 5.345 4.470 -0.003 0.000 0.290 32 S C -0.231 174.212 174.600 -0.261 0.000 1.150 32 S CA -0.443 57.645 58.200 -0.187 0.000 1.058 32 S CB 1.995 65.071 63.200 -0.207 0.000 1.032 32 S HN 0.744 nan 8.310 nan 0.000 0.510 33 A N 1.421 124.033 122.820 -0.346 0.000 2.529 33 A HA 0.907 5.226 4.320 -0.003 0.000 0.296 33 A C -2.054 175.222 177.584 -0.513 0.000 1.205 33 A CA -0.627 51.195 52.037 -0.358 0.000 0.671 33 A CB 0.781 19.705 19.000 -0.126 0.000 1.301 33 A HN 0.555 nan 8.150 nan 0.000 0.450 34 F N -0.602 119.381 119.950 0.054 0.000 2.588 34 F HA 0.709 5.235 4.527 -0.003 0.000 0.314 34 F C 0.302 176.148 175.800 0.077 0.000 1.069 34 F CA -0.692 57.345 58.000 0.062 0.000 0.931 34 F CB 1.712 40.755 39.000 0.072 0.000 1.260 34 F HN 0.611 nan 8.300 nan 0.000 0.465 35 R N 0.832 121.503 120.500 0.285 0.000 2.502 35 R HA 0.434 4.772 4.340 -0.003 0.000 0.292 35 R C 0.831 177.254 176.300 0.204 0.000 0.998 35 R CA 1.296 57.512 56.100 0.192 0.000 1.056 35 R CB -0.318 30.070 30.300 0.147 0.000 0.939 35 R HN 0.916 nan 8.270 nan 0.000 0.411 36 G N 2.882 111.803 108.800 0.203 0.000 2.352 36 G HA2 -0.208 3.751 3.960 -0.003 0.000 0.204 36 G HA3 -0.208 3.751 3.960 -0.003 0.000 0.204 36 G C -0.285 174.820 174.900 0.341 0.000 1.004 36 G CA -0.035 45.202 45.100 0.229 0.000 0.648 36 G HN 0.632 nan 8.290 nan 0.000 0.491 37 D N 2.006 122.586 120.400 0.299 0.000 2.368 37 D HA 0.485 5.123 4.640 -0.003 0.000 0.240 37 D C 1.181 177.548 176.300 0.112 0.000 1.169 37 D CA 1.313 55.446 54.000 0.221 0.000 0.906 37 D CB 1.214 42.082 40.800 0.114 0.000 1.187 37 D HN 0.513 nan 8.370 nan 0.000 0.435 38 T N -2.650 111.863 114.554 -0.068 0.000 2.937 38 T HA 0.303 4.651 4.350 -0.003 0.000 0.283 38 T C 1.431 176.086 174.700 -0.076 0.000 1.012 38 T CA -0.859 61.216 62.100 -0.041 0.000 0.997 38 T CB 0.859 69.686 68.868 -0.069 0.000 1.136 38 T HN 0.021 nan 8.240 nan 0.000 0.551 39 V N 1.028 120.917 119.914 -0.041 0.000 2.407 39 V HA -0.094 4.025 4.120 -0.003 0.000 0.248 39 V C 3.009 179.052 176.094 -0.085 0.000 1.055 39 V CA 2.308 64.578 62.300 -0.050 0.000 1.049 39 V CB -1.528 30.278 31.823 -0.029 0.000 0.662 39 V HN 1.056 nan 8.190 nan 0.000 0.455 40 A N 0.702 123.469 122.820 -0.088 0.000 1.873 40 A HA -0.189 4.129 4.320 -0.003 0.000 0.215 40 A C 2.562 180.014 177.584 -0.220 0.000 1.186 40 A CA 2.154 54.125 52.037 -0.111 0.000 0.616 40 A CB -0.778 18.212 19.000 -0.016 0.000 0.823 40 A HN 0.670 nan 8.150 nan 0.000 0.442 41 S N 0.196 115.726 115.700 -0.283 0.000 2.402 41 S HA 0.055 4.524 4.470 -0.003 0.000 0.229 41 S C 2.068 176.533 174.600 -0.224 0.000 1.021 41 S CA 1.292 59.267 58.200 -0.376 0.000 0.974 41 S CB -0.620 62.058 63.200 -0.869 0.000 0.800 41 S HN 0.867 nan 8.310 nan 0.000 0.484 42 A N 1.987 124.707 122.820 -0.166 0.000 1.898 42 A HA 0.109 4.428 4.320 -0.003 0.000 0.216 42 A C 2.348 179.863 177.584 -0.115 0.000 1.181 42 A CA 1.547 53.519 52.037 -0.109 0.000 0.620 42 A CB -0.761 18.187 19.000 -0.087 0.000 0.819 42 A HN 0.566 nan 8.150 nan 0.000 0.442 43 M N -0.585 118.937 119.600 -0.129 0.000 2.065 43 M HA -0.150 4.328 4.480 -0.003 0.000 0.259 43 M C 2.139 178.358 176.300 -0.134 0.000 1.069 43 M CA 1.626 56.855 55.300 -0.119 0.000 1.110 43 M CB -0.555 31.974 32.600 -0.118 0.000 1.328 43 M HN 0.383 nan 8.290 nan 0.000 0.405 44 L N -0.379 120.727 121.223 -0.195 0.000 2.083 44 L HA -0.181 4.158 4.340 -0.003 0.000 0.209 44 L C 2.736 179.533 176.870 -0.123 0.000 1.083 44 L CA 1.144 55.862 54.840 -0.204 0.000 0.752 44 L CB -0.918 40.917 42.059 -0.372 0.000 0.899 44 L HN 0.325 nan 8.230 nan 0.000 0.433 45 A N -0.430 122.332 122.820 -0.097 0.000 2.070 45 A HA -0.151 4.168 4.320 -0.003 0.000 0.220 45 A C 1.780 179.338 177.584 -0.044 0.000 1.159 45 A CA 1.373 53.388 52.037 -0.037 0.000 0.656 45 A CB -0.442 18.555 19.000 -0.005 0.000 0.800 45 A HN 0.496 nan 8.150 nan 0.000 0.453 46 N N -0.897 117.764 118.700 -0.065 0.000 2.268 46 N HA 0.190 4.928 4.740 -0.003 0.000 0.204 46 N C 0.857 176.336 175.510 -0.051 0.000 1.124 46 N CA 0.703 53.718 53.050 -0.059 0.000 0.838 46 N CB 0.529 38.975 38.487 -0.068 0.000 0.994 46 N HN 0.579 nan 8.380 nan 0.000 0.489 47 G N 1.096 109.864 108.800 -0.053 0.000 2.136 47 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.242 47 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.242 47 G C -0.140 174.727 174.900 -0.054 0.000 0.989 47 G CA -0.209 44.862 45.100 -0.047 0.000 0.682 47 G HN 0.247 nan 8.290 nan 0.000 0.522 48 L N 0.150 121.331 121.223 -0.069 0.000 2.294 48 L HA 0.538 4.876 4.340 -0.003 0.000 0.283 48 L C 1.503 178.321 176.870 -0.086 0.000 1.015 48 L CA -0.639 54.160 54.840 -0.069 0.000 0.831 48 L CB 1.356 43.375 42.059 -0.067 0.000 1.217 48 L HN 0.383 nan 8.230 nan 0.000 0.420 49 R N 0.300 120.756 120.500 -0.073 0.000 2.307 49 R HA 0.259 4.597 4.340 -0.003 0.000 0.200 49 R C 0.340 176.605 176.300 -0.058 0.000 0.893 49 R CA -0.197 55.856 56.100 -0.078 0.000 1.042 49 R CB 0.308 30.570 30.300 -0.063 0.000 1.059 49 R HN 0.416 nan 8.270 nan 0.000 0.530 50 S N 0.806 116.476 115.700 -0.050 0.000 2.610 50 S HA 0.394 4.862 4.470 -0.003 0.000 0.273 50 S C 0.372 174.944 174.600 -0.047 0.000 1.274 50 S CA -0.629 57.545 58.200 -0.044 0.000 1.023 50 S CB 1.320 64.496 63.200 -0.040 0.000 0.962 50 S HN 0.503 nan 8.310 nan 0.000 0.523 51 C N 0.741 120.013 119.300 -0.047 0.000 3.704 51 C HA 0.963 5.422 4.460 -0.003 0.000 0.338 51 C C 0.992 175.951 174.990 -0.053 0.000 3.585 51 C CA -0.880 58.109 59.018 -0.048 0.000 1.633 51 C CB -0.334 27.380 27.740 -0.044 0.000 4.025 51 C HN 0.809 nan 8.230 nan 0.000 0.531 52 G N 1.709 110.475 108.800 -0.057 0.000 2.491 52 G HA2 0.401 4.359 3.960 -0.003 0.000 0.242 52 G HA3 0.401 4.359 3.960 -0.003 0.000 0.242 52 G C -0.342 174.514 174.900 -0.073 0.000 1.266 52 G CA 0.016 45.079 45.100 -0.062 0.000 0.844 52 G HN 0.771 nan 8.290 nan 0.000 0.571 53 N N -0.185 118.474 118.700 -0.069 0.000 2.415 53 N HA 0.146 4.885 4.740 -0.003 0.000 0.248 53 N C 1.028 176.479 175.510 -0.097 0.000 1.271 53 N CA 0.014 53.019 53.050 -0.075 0.000 0.913 53 N CB 0.781 39.236 38.487 -0.055 0.000 1.129 53 N HN 0.667 nan 8.380 nan 0.000 0.444 54 S N 0.120 115.755 115.700 -0.108 0.000 2.566 54 S HA -0.063 4.405 4.470 -0.003 0.000 0.280 54 S C 1.408 175.923 174.600 -0.141 0.000 1.343 54 S CA -0.434 57.687 58.200 -0.132 0.000 1.036 54 S CB 0.346 63.469 63.200 -0.128 0.000 0.866 54 S HN 0.653 nan 8.310 nan 0.000 0.526 55 M N 1.942 121.401 119.600 -0.236 0.000 2.159 55 M HA -0.080 4.399 4.480 -0.003 0.000 0.263 55 M C 0.560 176.594 176.300 -0.443 0.000 1.063 55 M CA 1.758 56.809 55.300 -0.415 0.000 1.110 55 M CB -0.167 32.028 32.600 -0.674 0.000 1.374 55 M HN 0.895 nan 8.290 nan 0.000 0.411 56 Y N -1.224 119.081 120.300 0.009 0.000 2.607 56 Y HA 0.240 4.788 4.550 -0.003 0.000 0.276 56 Y C 1.607 177.530 175.900 0.039 0.000 1.117 56 Y CA 0.315 58.428 58.100 0.021 0.000 1.273 56 Y CB -0.034 38.441 38.460 0.026 0.000 1.282 56 Y HN 0.058 nan 8.280 nan 0.000 0.514 57 L N -0.154 121.191 121.223 0.204 0.000 2.567 57 L HA 0.085 4.424 4.340 -0.003 0.000 0.225 57 L C 0.254 177.187 176.870 0.106 0.000 1.119 57 L CA 0.662 55.607 54.840 0.174 0.000 0.871 57 L CB -0.144 42.064 42.059 0.249 0.000 1.036 57 L HN 0.137 nan 8.230 nan 0.000 0.459 58 D N 1.100 121.532 120.400 0.052 0.000 2.772 58 D HA -0.207 4.431 4.640 -0.003 0.000 0.233 58 D C 0.438 176.740 176.300 0.004 0.000 1.143 58 D CA 0.592 54.599 54.000 0.012 0.000 0.700 58 D CB -0.298 40.515 40.800 0.021 0.000 1.076 58 D HN 0.276 nan 8.370 nan 0.000 0.430 59 R N 0.047 120.545 120.500 -0.004 0.000 2.560 59 R HA 0.524 4.862 4.340 -0.003 0.000 0.270 59 R C -2.240 174.020 176.300 -0.067 0.000 1.074 59 R CA -1.594 54.491 56.100 -0.024 0.000 1.140 59 R CB 0.525 30.811 30.300 -0.022 0.000 1.073 59 R HN 0.076 nan 8.270 nan 0.000 0.527 60 P HA 0.064 nan 4.420 nan 0.000 0.268 60 P C -0.808 176.436 177.300 -0.094 0.000 1.204 60 P CA 0.306 63.366 63.100 -0.066 0.000 0.768 60 P CB 0.730 32.400 31.700 -0.051 0.000 0.842 61 R N 1.591 122.038 120.500 -0.089 0.000 2.836 61 R HA 0.850 5.188 4.340 -0.003 0.000 0.269 61 R C -0.036 176.228 176.300 -0.060 0.000 1.010 61 R CA -0.805 55.234 56.100 -0.101 0.000 0.930 61 R CB 2.311 32.532 30.300 -0.131 0.000 1.218 61 R HN 0.650 nan 8.270 nan 0.000 0.473 62 G N 0.178 108.958 108.800 -0.033 0.000 2.725 62 G HA2 0.487 4.446 3.960 -0.003 0.000 0.288 62 G HA3 0.487 4.446 3.960 -0.003 0.000 0.288 62 G C -0.687 174.235 174.900 0.038 0.000 1.399 62 G CA -0.876 44.221 45.100 -0.006 0.000 0.859 62 G HN 0.382 nan 8.290 nan 0.000 0.479 63 I N 0.668 121.253 120.570 0.025 0.000 2.741 63 I HA -0.004 4.164 4.170 -0.003 0.000 0.288 63 I C 0.698 176.914 176.117 0.164 0.000 1.192 63 I CA 0.347 61.685 61.300 0.064 0.000 1.426 63 I CB 0.491 38.479 38.000 -0.020 0.000 1.367 63 I HN 0.496 nan 8.210 nan 0.000 0.563 64 F N 5.383 125.348 119.950 0.026 0.000 2.653 64 F HA 0.105 4.631 4.527 -0.003 0.000 0.288 64 F C 1.253 177.103 175.800 0.084 0.000 1.121 64 F CA 0.346 58.368 58.000 0.038 0.000 1.384 64 F CB 0.375 39.379 39.000 0.005 0.000 1.115 64 F HN 0.555 nan 8.300 nan 0.000 0.599 65 S N -0.775 115.009 115.700 0.139 0.000 2.840 65 S HA 0.757 5.226 4.470 -0.003 0.000 0.307 65 S C -0.214 174.474 174.600 0.148 0.000 1.180 65 S CA -0.171 58.063 58.200 0.057 0.000 0.846 65 S CB 1.158 64.391 63.200 0.056 0.000 1.233 65 S HN 0.226 nan 8.310 nan 0.000 0.548 66 A N -0.474 122.350 122.820 0.007 0.000 2.594 66 A HA 0.794 5.113 4.320 -0.003 0.000 0.292 66 A C 0.491 178.081 177.584 0.011 0.000 1.026 66 A CA 0.123 52.104 52.037 -0.094 0.000 0.983 66 A CB -0.473 18.246 19.000 -0.468 0.000 1.233 66 A HN 1.519 nan 8.150 nan 0.000 0.519 67 G N -1.871 106.954 108.800 0.042 0.000 2.782 67 G HA2 0.412 4.371 3.960 -0.003 0.000 0.304 67 G HA3 0.412 4.371 3.960 -0.003 0.000 0.304 67 G C 0.304 175.225 174.900 0.035 0.000 1.315 67 G CA 0.361 45.492 45.100 0.052 0.000 0.791 67 G HN 0.337 nan 8.290 nan 0.000 0.519 68 V N 0.938 120.870 119.914 0.031 0.000 3.383 68 V HA 0.002 4.120 4.120 -0.003 0.000 0.272 68 V C 2.199 178.249 176.094 -0.073 0.000 1.181 68 V CA 2.307 64.605 62.300 -0.003 0.000 1.171 68 V CB -0.488 31.351 31.823 0.026 0.000 0.800 68 V HN 0.744 nan 8.190 nan 0.000 0.515 69 E N 0.232 120.359 120.200 -0.121 0.000 2.489 69 E HA -0.087 4.261 4.350 -0.003 0.000 0.193 69 E C 0.835 177.432 176.600 -0.006 0.000 1.057 69 E CA -0.170 56.139 56.400 -0.152 0.000 0.866 69 E CB -0.161 29.347 29.700 -0.319 0.000 0.916 69 E HN 0.626 nan 8.360 nan 0.000 0.500 70 E N 3.494 123.713 120.200 0.032 0.000 2.694 70 E HA -0.067 4.281 4.350 -0.003 0.000 0.250 70 E C -1.580 175.049 176.600 0.048 0.000 0.963 70 E CA -0.842 55.611 56.400 0.088 0.000 0.949 70 E CB 0.996 30.740 29.700 0.074 0.000 0.911 70 E HN 0.027 nan 8.360 nan 0.000 0.500 71 P HA 0.094 nan 4.420 nan 0.000 0.244 71 P C -0.049 177.207 177.300 -0.074 0.000 1.191 71 P CA 0.292 63.366 63.100 -0.044 0.000 0.829 71 P CB 0.712 32.338 31.700 -0.123 0.000 1.008 72 N N 0.936 119.605 118.700 -0.052 0.000 2.511 72 N HA 0.073 4.811 4.740 -0.003 0.000 0.190 72 N C 1.109 176.593 175.510 -0.043 0.000 1.037 72 N CA 0.441 53.449 53.050 -0.070 0.000 0.895 72 N CB -0.741 37.699 38.487 -0.078 0.000 1.149 72 N HN -0.016 nan 8.380 nan 0.000 0.437 73 A N 2.423 125.238 122.820 -0.009 0.000 2.981 73 A HA 0.337 4.655 4.320 -0.003 0.000 0.280 73 A C 0.072 177.646 177.584 -0.018 0.000 1.743 73 A CA -0.033 51.996 52.037 -0.014 0.000 1.430 73 A CB -1.198 17.803 19.000 0.001 0.000 1.085 73 A HN 0.174 nan 8.150 nan 0.000 0.597 74 L N 2.431 123.635 121.223 -0.033 0.000 2.343 74 L HA 0.729 5.067 4.340 -0.003 0.000 0.275 74 L C 0.187 177.036 176.870 -0.034 0.000 1.056 74 L CA -0.626 54.194 54.840 -0.032 0.000 0.804 74 L CB 1.414 43.447 42.059 -0.043 0.000 1.203 74 L HN 0.692 nan 8.230 nan 0.000 0.440 75 I N -2.027 118.525 120.570 -0.029 0.000 3.095 75 I HA 0.527 4.695 4.170 -0.003 0.000 0.310 75 I C -0.819 175.281 176.117 -0.028 0.000 1.196 75 I CA -0.571 60.711 61.300 -0.030 0.000 0.985 75 I CB 2.532 40.517 38.000 -0.025 0.000 1.250 75 I HN 0.290 nan 8.210 nan 0.000 0.446 76 T N 3.020 117.556 114.554 -0.030 0.000 2.771 76 T HA 0.501 4.850 4.350 -0.003 0.000 0.281 76 T C -0.349 174.336 174.700 -0.025 0.000 0.982 76 T CA -0.363 61.720 62.100 -0.029 0.000 0.978 76 T CB 1.531 70.380 68.868 -0.032 0.000 0.930 76 T HN 0.385 nan 8.240 nan 0.000 0.447 77 V N 3.602 123.503 119.914 -0.021 0.000 2.383 77 V HA 0.544 4.662 4.120 -0.003 0.000 0.275 77 V C 1.079 177.157 176.094 -0.027 0.000 1.036 77 V CA -0.756 61.532 62.300 -0.020 0.000 0.889 77 V CB 1.331 33.148 31.823 -0.011 0.000 0.985 77 V HN 1.020 nan 8.190 nan 0.000 0.459 78 G N 3.573 112.356 108.800 -0.029 0.000 2.544 78 G HA2 0.457 4.415 3.960 -0.003 0.000 0.242 78 G HA3 0.457 4.415 3.960 -0.003 0.000 0.242 78 G C 0.428 175.298 174.900 -0.049 0.000 1.247 78 G CA 0.089 45.169 45.100 -0.034 0.000 0.840 78 G HN 1.184 nan 8.290 nan 0.000 0.578 79 A N 1.854 124.639 122.820 -0.058 0.000 2.584 79 A HA 0.149 4.468 4.320 -0.003 0.000 0.239 79 A C 1.647 179.156 177.584 -0.126 0.000 1.043 79 A CA 0.027 52.004 52.037 -0.101 0.000 0.756 79 A CB 0.259 19.210 19.000 -0.081 0.000 0.963 79 A HN 0.707 nan 8.150 nan 0.000 0.511 80 R N 1.135 121.496 120.500 -0.232 0.000 2.200 80 R HA 0.056 4.394 4.340 -0.003 0.000 0.208 80 R C 0.078 176.307 176.300 -0.118 0.000 1.033 80 R CA 1.459 57.450 56.100 -0.182 0.000 1.000 80 R CB -0.474 29.720 30.300 -0.178 0.000 0.906 80 R HN 1.049 nan 8.270 nan 0.000 0.462 81 H N -4.375 114.697 119.070 0.002 0.000 2.887 81 H HA 0.248 4.803 4.556 -0.003 0.000 0.290 81 H C 0.216 175.545 175.328 0.001 0.000 1.429 81 H CA -0.822 55.225 56.048 -0.001 0.000 1.137 81 H CB 0.160 29.918 29.762 -0.007 0.000 1.824 81 H HN -0.398 nan 8.280 nan 0.000 0.520 82 Q N -0.182 119.747 119.800 0.214 0.000 2.439 82 Q HA 0.072 4.411 4.340 -0.003 0.000 0.211 82 Q C 0.681 176.779 176.000 0.163 0.000 0.978 82 Q CA 1.258 57.139 55.803 0.130 0.000 0.897 82 Q CB -0.007 28.779 28.738 0.079 0.000 0.956 82 Q HN 0.650 nan 8.270 nan 0.000 0.483 83 A N 0.472 123.516 122.820 0.373 0.000 2.842 83 A HA 0.260 4.579 4.320 -0.003 0.000 0.298 83 A C -0.564 177.139 177.584 0.200 0.000 1.293 83 A CA -0.290 51.913 52.037 0.275 0.000 0.959 83 A CB 0.199 19.328 19.000 0.214 0.000 1.119 83 A HN 0.043 nan 8.150 nan 0.000 0.564 84 D N -0.597 119.809 120.400 0.010 0.000 2.599 84 D HA 0.636 5.275 4.640 -0.003 0.000 0.252 84 D C -0.679 175.583 176.300 -0.064 0.000 1.232 84 D CA -0.226 53.701 54.000 -0.122 0.000 0.819 84 D CB 1.683 42.197 40.800 -0.477 0.000 1.401 84 D HN 0.306 nan 8.370 nan 0.000 0.429 85 I N -1.626 118.919 120.570 -0.042 0.000 3.264 85 I HA 0.633 4.802 4.170 -0.003 0.000 0.315 85 I C -0.602 175.496 176.117 -0.031 0.000 1.154 85 I CA -1.127 60.159 61.300 -0.023 0.000 0.962 85 I CB 1.684 39.687 38.000 0.005 0.000 1.265 85 I HN 0.082 nan 8.210 nan 0.000 0.463 86 N N 2.245 120.929 118.700 -0.027 0.000 2.492 86 N HA 0.182 4.921 4.740 -0.003 0.000 0.260 86 N C -0.929 174.567 175.510 -0.024 0.000 1.215 86 N CA 0.086 53.119 53.050 -0.028 0.000 0.923 86 N CB 0.882 39.352 38.487 -0.028 0.000 1.092 86 N HN 0.653 nan 8.380 nan 0.000 0.448 87 E N 0.305 120.491 120.200 -0.022 0.000 2.224 87 E HA 0.323 4.671 4.350 -0.003 0.000 0.265 87 E C -1.154 175.430 176.600 -0.027 0.000 0.878 87 E CA -0.450 55.938 56.400 -0.020 0.000 0.759 87 E CB 1.259 30.958 29.700 -0.001 0.000 1.164 87 E HN 0.401 nan 8.360 nan 0.000 0.414 88 S N 3.237 118.914 115.700 -0.038 0.000 2.745 88 S HA 0.422 4.890 4.470 -0.003 0.000 0.292 88 S C 0.152 174.727 174.600 -0.041 0.000 1.133 88 S CA -0.355 57.821 58.200 -0.041 0.000 0.998 88 S CB 0.638 63.808 63.200 -0.049 0.000 1.087 88 S HN 0.759 nan 8.310 nan 0.000 0.551 89 M N 0.637 120.212 119.600 -0.041 0.000 2.461 89 M HA -0.159 4.319 4.480 -0.003 0.000 0.203 89 M C -1.232 175.050 176.300 -0.029 0.000 0.428 89 M CA 0.681 55.958 55.300 -0.039 0.000 0.509 89 M CB -2.497 30.076 32.600 -0.045 0.000 1.851 89 M HN 0.443 nan 8.290 nan 0.000 0.834 90 L N 0.529 121.740 121.223 -0.021 0.000 2.309 90 L HA 0.504 4.842 4.340 -0.003 0.000 0.282 90 L C -1.826 175.040 176.870 -0.007 0.000 1.036 90 L CA -1.866 52.969 54.840 -0.010 0.000 0.806 90 L CB 1.438 43.497 42.059 0.000 0.000 1.220 90 L HN -0.089 nan 8.230 nan 0.000 0.429 91 P HA 0.071 nan 4.420 nan 0.000 0.276 91 P C 0.109 177.417 177.300 0.013 0.000 1.243 91 P CA -0.132 62.971 63.100 0.006 0.000 0.768 91 P CB 1.258 32.964 31.700 0.011 0.000 0.856 92 A N 3.406 126.231 122.820 0.009 0.000 2.070 92 A HA -0.153 4.165 4.320 -0.003 0.000 0.220 92 A C 1.814 179.408 177.584 0.017 0.000 1.159 92 A CA 2.163 54.202 52.037 0.004 0.000 0.656 92 A CB -1.546 17.447 19.000 -0.011 0.000 0.800 92 A HN 0.577 nan 8.150 nan 0.000 0.453 93 T N -3.123 111.456 114.554 0.040 0.000 3.072 93 T HA -0.041 4.308 4.350 -0.003 0.000 0.266 93 T C 1.290 176.032 174.700 0.070 0.000 1.127 93 T CA 1.657 63.796 62.100 0.065 0.000 1.107 93 T CB -0.601 68.322 68.868 0.092 0.000 0.910 93 T HN 0.600 nan 8.240 nan 0.000 0.513 94 T N -1.110 113.478 114.554 0.057 0.000 3.132 94 T HA 0.458 4.806 4.350 -0.003 0.000 0.274 94 T C 0.069 174.808 174.700 0.065 0.000 1.011 94 T CA -0.496 61.645 62.100 0.068 0.000 0.899 94 T CB 0.020 68.923 68.868 0.058 0.000 1.089 94 T HN 0.163 nan 8.240 nan 0.000 0.543 95 V N 2.588 122.534 119.914 0.054 0.000 2.328 95 V HA 0.422 4.540 4.120 -0.003 0.000 0.278 95 V C 0.222 176.355 176.094 0.065 0.000 1.021 95 V CA -0.691 61.642 62.300 0.055 0.000 0.838 95 V CB 1.058 32.901 31.823 0.034 0.000 0.999 95 V HN 0.436 nan 8.190 nan 0.000 0.447 96 S N 3.990 119.747 115.700 0.095 0.000 2.549 96 S HA 0.273 4.742 4.470 -0.003 0.000 0.279 96 S C 0.185 174.842 174.600 0.095 0.000 1.321 96 S CA -0.399 57.870 58.200 0.116 0.000 1.054 96 S CB 1.233 64.530 63.200 0.161 0.000 0.899 96 S HN 0.478 nan 8.310 nan 0.000 0.497 97 V N 4.227 124.190 119.914 0.082 0.000 2.637 97 V HA 0.287 4.405 4.120 -0.003 0.000 0.296 97 V C 0.833 176.968 176.094 0.068 0.000 1.046 97 V CA -0.098 62.236 62.300 0.056 0.000 1.066 97 V CB 0.729 32.575 31.823 0.038 0.000 0.968 97 V HN 1.045 nan 8.190 nan 0.000 0.483 98 T N 0.450 115.034 114.554 0.049 0.000 2.908 98 T HA 0.417 4.766 4.350 -0.003 0.000 0.290 98 T C -0.607 174.112 174.700 0.030 0.000 1.034 98 T CA -0.909 61.219 62.100 0.047 0.000 1.010 98 T CB 1.613 70.508 68.868 0.046 0.000 1.068 98 T HN 0.530 nan 8.240 nan 0.000 0.481 99 D N 0.645 121.063 120.400 0.030 0.000 2.472 99 D HA 0.382 5.020 4.640 -0.003 0.000 0.248 99 D C 1.605 177.913 176.300 0.014 0.000 1.174 99 D CA 1.912 55.923 54.000 0.019 0.000 0.883 99 D CB -0.194 40.619 40.800 0.021 0.000 1.149 99 D HN 1.138 nan 8.370 nan 0.000 0.488 100 G N 3.144 111.946 108.800 0.003 0.000 2.143 100 G HA2 -0.286 3.673 3.960 -0.003 0.000 0.249 100 G HA3 -0.286 3.673 3.960 -0.003 0.000 0.249 100 G C 0.509 175.408 174.900 -0.003 0.000 0.981 100 G CA 0.202 45.302 45.100 -0.000 0.000 0.665 100 G HN 0.643 nan 8.290 nan 0.000 0.528 101 L N 0.391 121.612 121.223 -0.002 0.000 2.525 101 L HA 0.438 4.777 4.340 -0.003 0.000 0.278 101 L C 0.302 177.164 176.870 -0.014 0.000 1.218 101 L CA -0.035 54.801 54.840 -0.006 0.000 0.878 101 L CB 0.470 42.529 42.059 -0.000 0.000 1.127 101 L HN 0.268 nan 8.230 nan 0.000 0.492 102 N N 3.590 122.280 118.700 -0.017 0.000 2.407 102 N HA 0.698 5.436 4.740 -0.003 0.000 0.277 102 N C -1.404 174.093 175.510 -0.022 0.000 0.995 102 N CA -0.220 52.818 53.050 -0.020 0.000 0.903 102 N CB 1.768 40.244 38.487 -0.019 0.000 1.218 102 N HN 0.741 nan 8.380 nan 0.000 0.487 103 A N 2.071 124.876 122.820 -0.024 0.000 2.386 103 A HA 0.729 5.048 4.320 -0.003 0.000 0.311 103 A C -0.842 176.725 177.584 -0.028 0.000 1.068 103 A CA -0.602 51.420 52.037 -0.025 0.000 0.743 103 A CB 1.247 20.232 19.000 -0.025 0.000 1.258 103 A HN 0.528 nan 8.150 nan 0.000 0.429 104 T N 2.525 117.062 114.554 -0.029 0.000 2.807 104 T HA 0.501 4.850 4.350 -0.003 0.000 0.279 104 T C -0.217 174.462 174.700 -0.034 0.000 0.993 104 T CA -0.253 61.828 62.100 -0.031 0.000 0.970 104 T CB 0.698 69.548 68.868 -0.030 0.000 0.950 104 T HN 0.470 nan 8.240 nan 0.000 0.441 105 L N 4.050 125.251 121.223 -0.037 0.000 2.360 105 L HA 0.409 4.747 4.340 -0.003 0.000 0.276 105 L C 0.026 176.869 176.870 -0.045 0.000 1.121 105 L CA -0.452 54.364 54.840 -0.041 0.000 0.845 105 L CB 0.206 42.240 42.059 -0.043 0.000 1.143 105 L HN 0.384 nan 8.230 nan 0.000 0.452 106 L N 2.181 123.374 121.223 -0.050 0.000 2.365 106 L HA 0.431 4.769 4.340 -0.003 0.000 0.267 106 L C 0.456 177.283 176.870 -0.072 0.000 1.033 106 L CA -0.427 54.379 54.840 -0.058 0.000 0.802 106 L CB 1.579 43.603 42.059 -0.057 0.000 1.267 106 L HN 0.502 nan 8.230 nan 0.000 0.457 107 S N 0.258 115.907 115.700 -0.085 0.000 2.272 107 S HA 0.369 4.838 4.470 -0.003 0.000 0.207 107 S C 0.745 175.257 174.600 -0.147 0.000 1.336 107 S CA 0.190 58.323 58.200 -0.112 0.000 1.259 107 S CB 0.712 63.847 63.200 -0.108 0.000 1.130 107 S HN 1.050 nan 8.310 nan 0.000 0.444 108 G N 1.141 109.865 108.800 -0.127 0.000 2.184 108 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.264 108 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.264 108 G C -0.241 174.590 174.900 -0.115 0.000 0.975 108 G CA 0.275 45.294 45.100 -0.136 0.000 0.642 108 G HN 0.553 nan 8.290 nan 0.000 0.536 109 L N 1.500 122.663 121.223 -0.100 0.000 2.376 109 L HA 0.803 5.141 4.340 -0.003 0.000 0.275 109 L C 0.727 177.560 176.870 -0.062 0.000 0.987 109 L CA 0.073 54.867 54.840 -0.076 0.000 0.828 109 L CB 1.321 43.335 42.059 -0.074 0.000 1.249 109 L HN 0.388 nan 8.230 nan 0.000 0.409 110 G N 3.450 112.216 108.800 -0.056 0.000 2.547 110 G HA2 0.584 4.543 3.960 -0.003 0.000 0.291 110 G HA3 0.584 4.543 3.960 -0.003 0.000 0.291 110 G C -1.331 173.538 174.900 -0.052 0.000 1.211 110 G CA -0.492 44.576 45.100 -0.055 0.000 0.950 110 G HN 0.480 nan 8.290 nan 0.000 0.504 111 V N 0.505 120.388 119.914 -0.051 0.000 2.525 111 V HA 0.311 4.429 4.120 -0.003 0.000 0.299 111 V C -0.141 175.921 176.094 -0.053 0.000 1.034 111 V CA -0.530 61.742 62.300 -0.047 0.000 0.863 111 V CB 1.542 33.342 31.823 -0.039 0.000 0.999 111 V HN 0.566 nan 8.190 nan 0.000 0.423 112 L N 3.688 124.875 121.223 -0.059 0.000 2.319 112 L HA 0.396 4.735 4.340 -0.003 0.000 0.280 112 L C 0.408 177.250 176.870 -0.048 0.000 1.099 112 L CA -0.246 54.553 54.840 -0.067 0.000 0.828 112 L CB 0.780 42.787 42.059 -0.086 0.000 1.150 112 L HN 0.600 nan 8.230 nan 0.000 0.442 113 D N 4.978 125.353 120.400 -0.042 0.000 2.417 113 D HA 0.067 4.706 4.640 -0.003 0.000 0.250 113 D C -1.547 174.739 176.300 -0.023 0.000 1.166 113 D CA -1.290 52.694 54.000 -0.028 0.000 0.881 113 D CB 1.718 42.505 40.800 -0.022 0.000 1.164 113 D HN 0.282 nan 8.370 nan 0.000 0.467 114 P HA -0.014 nan 4.420 nan 0.000 0.223 114 P C -0.057 177.241 177.300 -0.003 0.000 1.151 114 P CA 0.372 63.465 63.100 -0.011 0.000 0.787 114 P CB 0.267 31.961 31.700 -0.009 0.000 0.788 115 S N 0.708 116.408 115.700 -0.001 0.000 2.560 115 S HA 0.030 4.498 4.470 -0.003 0.000 0.284 115 S C 0.374 174.983 174.600 0.014 0.000 1.327 115 S CA -0.206 57.999 58.200 0.007 0.000 1.055 115 S CB 0.147 63.351 63.200 0.007 0.000 0.868 115 S HN 0.158 nan 8.310 nan 0.000 0.506 116 E N 1.460 121.673 120.200 0.023 0.000 2.373 116 E HA 0.012 4.361 4.350 -0.003 0.000 0.267 116 E C -0.492 176.137 176.600 0.048 0.000 1.032 116 E CA -0.299 56.122 56.400 0.034 0.000 0.889 116 E CB 0.483 30.205 29.700 0.037 0.000 0.984 116 E HN 0.425 nan 8.360 nan 0.000 0.425 117 D N 3.835 124.275 120.400 0.068 0.000 2.358 117 D HA 0.028 4.666 4.640 -0.003 0.000 0.258 117 D C -1.431 174.934 176.300 0.107 0.000 1.223 117 D CA -1.712 52.349 54.000 0.102 0.000 0.886 117 D CB 0.903 41.799 40.800 0.161 0.000 1.120 117 D HN 0.213 nan 8.370 nan 0.000 0.482 118 P HA 0.160 nan 4.420 nan 0.000 0.255 118 P C 0.028 177.367 177.300 0.065 0.000 1.248 118 P CA -0.210 62.935 63.100 0.075 0.000 0.807 118 P CB 0.297 32.035 31.700 0.065 0.000 1.150 119 A N 0.536 123.382 122.820 0.043 0.000 2.425 119 A HA 0.135 4.454 4.320 -0.003 0.000 0.242 119 A C -0.700 176.754 177.584 -0.217 0.000 1.077 119 A CA -0.128 51.840 52.037 -0.114 0.000 0.781 119 A CB -0.352 18.495 19.000 -0.256 0.000 1.020 119 A HN 0.227 nan 8.150 nan 0.000 0.494 120 Y N 1.229 121.288 120.300 -0.402 0.000 2.328 120 Y HA 0.552 5.100 4.550 -0.003 0.000 0.337 120 Y C -1.283 174.334 175.900 -0.471 0.000 1.008 120 Y CA -0.037 57.891 58.100 -0.286 0.000 1.129 120 Y CB 0.824 39.199 38.460 -0.142 0.000 1.185 120 Y HN 0.562 nan 8.280 nan 0.000 0.476 121 Y N 4.460 124.625 120.300 -0.225 0.000 2.425 121 Y HA 0.413 4.961 4.550 -0.003 0.000 0.344 121 Y C -0.723 175.025 175.900 -0.254 0.000 0.969 121 Y CA -1.121 56.919 58.100 -0.100 0.000 1.052 121 Y CB 1.638 40.085 38.460 -0.021 0.000 1.215 121 Y HN 0.663 nan 8.280 nan 0.000 0.451 122 D N -1.073 119.378 120.400 0.085 0.000 2.610 122 D HA 0.443 5.082 4.640 -0.003 0.000 0.271 122 D C -1.262 175.184 176.300 0.242 0.000 1.174 122 D CA -0.675 53.324 54.000 -0.002 0.000 0.949 122 D CB 1.226 42.036 40.800 0.017 0.000 1.430 122 D HN 0.376 nan 8.370 nan 0.000 0.467 123 H N -1.689 117.393 119.070 0.020 0.000 2.771 123 H HA 0.830 5.385 4.556 -0.003 0.000 0.367 123 H C -0.678 174.584 175.328 -0.110 0.000 1.172 123 H CA -1.022 55.028 56.048 0.004 0.000 1.186 123 H CB 1.826 31.654 29.762 0.109 0.000 1.790 123 H HN 0.226 nan 8.280 nan 0.000 0.556 124 V N 1.698 121.527 119.914 -0.142 0.000 2.760 124 V HA 0.237 4.355 4.120 -0.003 0.000 0.309 124 V C -1.057 174.894 176.094 -0.238 0.000 1.077 124 V CA -0.730 61.408 62.300 -0.270 0.000 0.910 124 V CB 1.958 33.273 31.823 -0.847 0.000 1.008 124 V HN 0.773 nan 8.190 nan 0.000 0.424 125 H N 2.591 121.629 119.070 -0.055 0.000 2.539 125 H HA 0.776 5.331 4.556 -0.003 0.000 0.332 125 H C -0.328 175.069 175.328 0.116 0.000 1.031 125 H CA -0.527 55.548 56.048 0.046 0.000 1.206 125 H CB 1.832 31.601 29.762 0.012 0.000 1.446 125 H HN 0.618 nan 8.280 nan 0.000 0.496 126 V N 0.047 120.115 119.914 0.256 0.000 3.181 126 V HA 0.631 4.750 4.120 -0.003 0.000 0.308 126 V C -0.808 175.449 176.094 0.271 0.000 1.214 126 V CA -0.938 61.541 62.300 0.298 0.000 1.053 126 V CB 2.426 34.435 31.823 0.310 0.000 1.069 126 V HN 0.698 nan 8.190 nan 0.000 0.441 127 H N -0.242 118.905 119.070 0.128 0.000 2.621 127 H HA 0.909 5.464 4.556 -0.003 0.000 0.360 127 H C -0.218 175.160 175.328 0.082 0.000 1.163 127 H CA 0.253 56.364 56.048 0.105 0.000 1.194 127 H CB 2.064 31.886 29.762 0.099 0.000 1.649 127 H HN 1.109 nan 8.280 nan 0.000 0.532 128 T N -0.233 114.418 114.554 0.163 0.000 2.821 128 T HA 0.173 4.522 4.350 -0.003 0.000 0.306 128 T C -0.070 174.677 174.700 0.078 0.000 1.313 128 T CA -0.594 61.561 62.100 0.091 0.000 1.012 128 T CB 1.155 70.045 68.868 0.035 0.000 1.298 128 T HN 0.563 nan 8.240 nan 0.000 0.502 129 D N 0.551 120.975 120.400 0.040 0.000 2.197 129 D HA 0.161 4.799 4.640 -0.003 0.000 0.212 129 D C 0.401 176.719 176.300 0.030 0.000 0.963 129 D CA 1.117 55.153 54.000 0.059 0.000 0.864 129 D CB 0.384 41.206 40.800 0.036 0.000 1.009 129 D HN 0.275 nan 8.370 nan 0.000 0.479 130 V N 2.045 121.947 119.914 -0.021 0.000 2.443 130 V HA 0.263 4.382 4.120 -0.003 0.000 0.293 130 V C -0.773 175.290 176.094 -0.052 0.000 1.021 130 V CA -0.914 61.365 62.300 -0.036 0.000 0.848 130 V CB 2.343 34.124 31.823 -0.070 0.000 0.998 130 V HN -0.033 nan 8.190 nan 0.000 0.424 131 L N 7.098 128.296 121.223 -0.043 0.000 2.287 131 L HA 0.741 5.080 4.340 -0.003 0.000 0.287 131 L C -0.546 176.283 176.870 -0.069 0.000 1.022 131 L CA 0.050 54.851 54.840 -0.066 0.000 0.814 131 L CB 1.672 43.691 42.059 -0.067 0.000 1.217 131 L HN 0.426 nan 8.230 nan 0.000 0.420 132 V N 6.020 125.881 119.914 -0.088 0.000 2.370 132 V HA 0.452 4.570 4.120 -0.003 0.000 0.283 132 V C -0.300 175.737 176.094 -0.095 0.000 1.023 132 V CA -0.700 61.548 62.300 -0.087 0.000 0.857 132 V CB 1.687 33.451 31.823 -0.098 0.000 0.985 132 V HN 0.529 nan 8.190 nan 0.000 0.443 133 V N 4.171 124.031 119.914 -0.090 0.000 2.333 133 V HA 0.887 5.005 4.120 -0.003 0.000 0.274 133 V C 0.586 176.623 176.094 -0.095 0.000 1.028 133 V CA 0.249 62.488 62.300 -0.102 0.000 0.851 133 V CB 0.590 32.342 31.823 -0.118 0.000 1.000 133 V HN 1.292 nan 8.190 nan 0.000 0.456 134 G N 4.025 112.776 108.800 -0.082 0.000 3.069 134 G HA2 0.342 4.300 3.960 -0.003 0.000 0.686 134 G HA3 0.342 4.300 3.960 -0.003 0.000 0.686 134 G C -0.267 174.601 174.900 -0.053 0.000 1.161 134 G CA -0.275 44.786 45.100 -0.064 0.000 0.804 134 G HN 1.476 nan 8.290 nan 0.000 0.608 135 A N 1.448 124.251 122.820 -0.029 0.000 2.911 135 A HA 0.801 5.119 4.320 -0.003 0.000 0.304 135 A C 1.251 178.836 177.584 0.002 0.000 1.144 135 A CA 1.080 53.101 52.037 -0.027 0.000 0.988 135 A CB -0.155 18.843 19.000 -0.002 0.000 1.141 135 A HN 2.110 nan 8.150 nan 0.000 0.552 136 G N 0.132 108.932 108.800 -0.001 0.000 2.510 136 G HA2 0.472 4.430 3.960 -0.003 0.000 0.280 136 G HA3 0.472 4.430 3.960 -0.003 0.000 0.280 136 G C -0.846 174.079 174.900 0.041 0.000 1.386 136 G CA -0.867 44.240 45.100 0.012 0.000 1.047 136 G HN 0.089 nan 8.290 nan 0.000 0.527 137 P HA -0.184 nan 4.420 nan 0.000 0.216 137 P C 1.858 179.178 177.300 0.034 0.000 1.153 137 P CA 2.312 65.428 63.100 0.027 0.000 0.858 137 P CB 0.014 31.652 31.700 -0.103 0.000 0.789 138 A N 0.433 123.245 122.820 -0.013 0.000 1.855 138 A HA -0.026 4.292 4.320 -0.003 0.000 0.215 138 A C 2.696 180.277 177.584 -0.005 0.000 1.191 138 A CA 2.096 54.122 52.037 -0.019 0.000 0.613 138 A CB -1.927 17.046 19.000 -0.045 0.000 0.829 138 A HN 0.292 nan 8.150 nan 0.000 0.442 139 G N -0.316 108.474 108.800 -0.018 0.000 2.422 139 G HA2 -0.152 3.807 3.960 -0.003 0.000 0.218 139 G HA3 -0.152 3.807 3.960 -0.003 0.000 0.218 139 G C 1.575 176.451 174.900 -0.040 0.000 1.146 139 G CA 1.044 46.120 45.100 -0.039 0.000 0.769 139 G HN 0.412 nan 8.290 nan 0.000 0.547 140 L N 0.528 121.755 121.223 0.007 0.000 2.056 140 L HA -0.030 4.309 4.340 -0.003 0.000 0.207 140 L C 3.413 180.308 176.870 0.042 0.000 1.078 140 L CA 1.028 55.865 54.840 -0.005 0.000 0.749 140 L CB -0.362 41.756 42.059 0.097 0.000 0.901 140 L HN 0.306 nan 8.230 nan 0.000 0.433 141 A N -0.109 122.815 122.820 0.173 0.000 1.902 141 A HA -0.167 4.151 4.320 -0.003 0.000 0.217 141 A C 2.505 180.111 177.584 0.036 0.000 1.181 141 A CA 1.727 53.864 52.037 0.167 0.000 0.623 141 A CB -0.702 18.388 19.000 0.150 0.000 0.818 141 A HN 0.408 nan 8.150 nan 0.000 0.443 142 A N -0.097 122.721 122.820 -0.004 0.000 1.877 142 A HA 0.170 4.489 4.320 -0.003 0.000 0.216 142 A C 2.533 180.074 177.584 -0.071 0.000 1.186 142 A CA 2.128 54.138 52.037 -0.045 0.000 0.620 142 A CB -1.106 17.858 19.000 -0.059 0.000 0.822 142 A HN 1.072 nan 8.150 nan 0.000 0.443 143 A N -0.395 122.372 122.820 -0.089 0.000 1.908 143 A HA -0.199 4.119 4.320 -0.003 0.000 0.218 143 A C 2.272 179.785 177.584 -0.119 0.000 1.181 143 A CA 1.826 53.790 52.037 -0.123 0.000 0.627 143 A CB -0.549 18.347 19.000 -0.172 0.000 0.818 143 A HN 0.552 nan 8.150 nan 0.000 0.445 144 R N -0.550 119.884 120.500 -0.111 0.000 2.080 144 R HA -0.166 4.172 4.340 -0.003 0.000 0.236 144 R C 2.031 178.286 176.300 -0.076 0.000 1.137 144 R CA 1.731 57.767 56.100 -0.108 0.000 0.943 144 R CB -0.238 29.999 30.300 -0.105 0.000 0.846 144 R HN 0.497 nan 8.270 nan 0.000 0.431 145 E N 0.237 120.406 120.200 -0.053 0.000 2.051 145 E HA -0.168 4.180 4.350 -0.003 0.000 0.192 145 E C 1.882 178.448 176.600 -0.056 0.000 0.991 145 E CA 1.413 57.788 56.400 -0.043 0.000 0.799 145 E CB -0.339 29.343 29.700 -0.031 0.000 0.748 145 E HN 0.463 nan 8.360 nan 0.000 0.449 146 A N 0.888 123.663 122.820 -0.075 0.000 1.930 146 A HA -0.152 4.166 4.320 -0.003 0.000 0.217 146 A C 2.417 179.936 177.584 -0.108 0.000 1.175 146 A CA 1.852 53.836 52.037 -0.088 0.000 0.627 146 A CB -0.570 18.368 19.000 -0.103 0.000 0.815 146 A HN 0.246 nan 8.150 nan 0.000 0.443 147 S N -0.384 115.251 115.700 -0.109 0.000 2.356 147 S HA -0.180 4.288 4.470 -0.003 0.000 0.223 147 S C 2.089 176.630 174.600 -0.099 0.000 1.032 147 S CA 1.437 59.568 58.200 -0.115 0.000 1.005 147 S CB -0.336 62.798 63.200 -0.111 0.000 0.867 147 S HN 0.621 nan 8.310 nan 0.000 0.449 148 R N 0.857 121.312 120.500 -0.075 0.000 2.285 148 R HA -0.010 4.329 4.340 -0.003 0.000 0.213 148 R C 2.436 178.715 176.300 -0.034 0.000 1.068 148 R CA 1.201 57.270 56.100 -0.051 0.000 1.004 148 R CB -0.299 29.978 30.300 -0.039 0.000 0.873 148 R HN 0.618 nan 8.270 nan 0.000 0.467 149 S N -1.128 114.548 115.700 -0.040 0.000 2.496 149 S HA 0.067 4.535 4.470 -0.003 0.000 0.224 149 S C 1.518 176.126 174.600 0.013 0.000 0.996 149 S CA 0.610 58.817 58.200 0.012 0.000 0.927 149 S CB 0.554 63.778 63.200 0.040 0.000 0.774 149 S HN 0.464 nan 8.310 nan 0.000 0.524 150 G N 0.585 109.317 108.800 -0.114 0.000 2.194 150 G HA2 -0.059 3.899 3.960 -0.003 0.000 0.236 150 G HA3 -0.059 3.899 3.960 -0.003 0.000 0.236 150 G C 0.283 174.829 174.900 -0.589 0.000 0.987 150 G CA -0.053 44.948 45.100 -0.164 0.000 0.635 150 G HN 1.217 nan 8.290 nan 0.000 0.520 151 A N 0.236 122.529 122.820 -0.880 0.000 2.366 151 A HA 0.705 5.024 4.320 -0.003 0.000 0.249 151 A C 0.778 178.013 177.584 -0.582 0.000 1.084 151 A CA -0.032 51.213 52.037 -1.320 0.000 0.794 151 A CB 0.286 18.785 19.000 -0.836 0.000 1.034 151 A HN 0.457 nan 8.150 nan 0.000 0.491 152 R N 0.170 120.415 120.500 -0.426 0.000 2.316 152 R HA 0.411 4.749 4.340 -0.003 0.000 0.314 152 R C -1.143 175.070 176.300 -0.144 0.000 1.069 152 R CA -0.001 55.986 56.100 -0.189 0.000 0.959 152 R CB 0.553 30.806 30.300 -0.078 0.000 0.987 152 R HN 0.442 nan 8.270 nan 0.000 0.446 153 V N 5.138 124.980 119.914 -0.119 0.000 2.735 153 V HA 0.468 4.586 4.120 -0.003 0.000 0.310 153 V C -0.153 175.888 176.094 -0.087 0.000 1.061 153 V CA -0.793 61.443 62.300 -0.105 0.000 0.913 153 V CB 2.212 33.961 31.823 -0.124 0.000 1.005 153 V HN 0.720 nan 8.190 nan 0.000 0.428 154 M N 4.951 124.495 119.600 -0.093 0.000 2.263 154 M HA 0.570 5.048 4.480 -0.003 0.000 0.295 154 M C -1.626 174.600 176.300 -0.124 0.000 1.028 154 M CA -0.633 54.600 55.300 -0.112 0.000 0.921 154 M CB 2.287 34.809 32.600 -0.130 0.000 1.601 154 M HN 0.491 nan 8.290 nan 0.000 0.440 155 L N 5.031 126.182 121.223 -0.120 0.000 2.319 155 L HA 0.668 5.006 4.340 -0.003 0.000 0.281 155 L C -1.993 174.839 176.870 -0.063 0.000 1.005 155 L CA -0.408 54.359 54.840 -0.123 0.000 0.828 155 L CB 1.128 43.054 42.059 -0.223 0.000 1.227 155 L HN 0.563 nan 8.230 nan 0.000 0.415 156 L N 4.749 125.916 121.223 -0.093 0.000 2.341 156 L HA 0.649 4.987 4.340 -0.003 0.000 0.278 156 L C -0.756 176.085 176.870 -0.048 0.000 1.005 156 L CA -0.206 54.579 54.840 -0.092 0.000 0.818 156 L CB 1.743 43.704 42.059 -0.164 0.000 1.259 156 L HN 0.638 nan 8.230 nan 0.000 0.418 157 D N -0.198 120.196 120.400 -0.011 0.000 2.934 157 D HA 0.259 4.897 4.640 -0.003 0.000 0.230 157 D C 0.540 176.848 176.300 0.013 0.000 1.204 157 D CA -0.382 53.622 54.000 0.007 0.000 0.873 157 D CB 1.711 42.535 40.800 0.040 0.000 1.645 157 D HN 0.661 nan 8.370 nan 0.000 0.502 158 E N 2.508 122.728 120.200 0.033 0.000 2.347 158 E HA -0.014 4.335 4.350 -0.003 0.000 0.196 158 E C 0.094 176.722 176.600 0.047 0.000 1.008 158 E CA 0.322 56.756 56.400 0.058 0.000 0.852 158 E CB 0.347 30.113 29.700 0.110 0.000 0.783 158 E HN 0.284 nan 8.360 nan 0.000 0.505 159 R N 0.811 121.334 120.500 0.038 0.000 2.583 159 R HA 0.161 4.499 4.340 -0.003 0.000 0.268 159 R C -1.713 174.584 176.300 -0.004 0.000 1.101 159 R CA -1.717 54.401 56.100 0.030 0.000 1.180 159 R CB -0.048 30.271 30.300 0.032 0.000 1.128 159 R HN -0.082 nan 8.270 nan 0.000 0.568 160 P HA -0.184 nan 4.420 nan 0.000 0.216 160 P C -0.473 176.794 177.300 -0.055 0.000 1.150 160 P CA 1.521 64.590 63.100 -0.051 0.000 0.837 160 P CB 0.234 31.927 31.700 -0.012 0.000 0.786 161 E N -2.160 118.025 120.200 -0.025 0.000 2.433 161 E HA 0.622 4.970 4.350 -0.003 0.000 0.278 161 E C -1.181 175.432 176.600 0.020 0.000 0.976 161 E CA -1.342 55.049 56.400 -0.016 0.000 0.793 161 E CB 1.365 31.055 29.700 -0.016 0.000 1.311 161 E HN -0.158 nan 8.360 nan 0.000 0.460 162 A N -0.041 122.817 122.820 0.064 0.000 2.386 162 A HA 0.570 4.889 4.320 -0.003 0.000 0.246 162 A C 1.086 178.697 177.584 0.045 0.000 1.089 162 A CA 0.800 52.888 52.037 0.084 0.000 0.790 162 A CB -0.246 18.833 19.000 0.132 0.000 1.042 162 A HN 1.367 nan 8.150 nan 0.000 0.497 163 G N -1.019 107.808 108.800 0.044 0.000 2.545 163 G HA2 0.305 4.263 3.960 -0.003 0.000 0.195 163 G HA3 0.305 4.263 3.960 -0.003 0.000 0.195 163 G C 1.713 176.629 174.900 0.027 0.000 1.009 163 G CA 0.771 45.900 45.100 0.048 0.000 0.703 163 G HN 2.752 nan 8.290 nan 0.000 0.479 164 G N -0.098 108.711 108.800 0.015 0.000 2.614 164 G HA2 -0.244 3.714 3.960 -0.003 0.000 0.303 164 G HA3 -0.244 3.714 3.960 -0.003 0.000 0.303 164 G C 1.162 176.058 174.900 -0.007 0.000 1.270 164 G CA 1.822 46.926 45.100 0.006 0.000 0.988 164 G HN 1.347 nan 8.290 nan 0.000 0.551 165 T N 1.457 116.003 114.554 -0.013 0.000 2.977 165 T HA 0.029 4.377 4.350 -0.003 0.000 0.271 165 T C 2.454 177.133 174.700 -0.035 0.000 1.105 165 T CA 1.483 63.569 62.100 -0.023 0.000 1.116 165 T CB -0.179 68.669 68.868 -0.033 0.000 0.878 165 T HN 0.414 nan 8.240 nan 0.000 0.509 166 L N 0.394 121.600 121.223 -0.029 0.000 2.191 166 L HA -0.081 4.257 4.340 -0.003 0.000 0.212 166 L C 2.726 179.577 176.870 -0.032 0.000 1.103 166 L CA 0.934 55.758 54.840 -0.028 0.000 0.769 166 L CB -0.371 41.687 42.059 -0.000 0.000 0.908 166 L HN 0.079 nan 8.230 nan 0.000 0.438 167 R N 0.383 120.858 120.500 -0.041 0.000 2.189 167 R HA -0.075 4.264 4.340 -0.003 0.000 0.218 167 R C 1.588 177.826 176.300 -0.102 0.000 1.074 167 R CA 0.797 56.853 56.100 -0.073 0.000 0.991 167 R CB -0.309 29.936 30.300 -0.092 0.000 0.883 167 R HN 0.551 nan 8.270 nan 0.000 0.457 168 E N -0.022 120.128 120.200 -0.083 0.000 2.474 168 E HA 0.187 4.535 4.350 -0.003 0.000 0.194 168 E C 0.397 176.966 176.600 -0.052 0.000 1.041 168 E CA -0.016 56.334 56.400 -0.083 0.000 0.874 168 E CB 0.518 30.178 29.700 -0.067 0.000 0.914 168 E HN 0.148 nan 8.360 nan 0.000 0.498 169 A N 0.953 123.745 122.820 -0.045 0.000 2.326 169 A HA 0.667 4.986 4.320 -0.003 0.000 0.303 169 A C -0.158 177.408 177.584 -0.031 0.000 1.164 169 A CA -0.448 51.569 52.037 -0.034 0.000 0.929 169 A CB 1.678 20.654 19.000 -0.039 0.000 1.363 169 A HN 0.019 nan 8.150 nan 0.000 0.498 170 S N -2.739 112.946 115.700 -0.024 0.000 2.570 170 S HA 0.534 5.002 4.470 -0.003 0.000 0.270 170 S C 0.300 174.888 174.600 -0.020 0.000 1.149 170 S CA 0.749 58.938 58.200 -0.020 0.000 0.837 170 S CB 1.027 64.220 63.200 -0.012 0.000 1.124 170 S HN 2.693 nan 8.310 nan 0.000 0.465 171 G N 1.734 110.523 108.800 -0.018 0.000 2.166 171 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.260 171 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.260 171 G C -0.148 174.734 174.900 -0.030 0.000 0.986 171 G CA 0.883 45.971 45.100 -0.020 0.000 0.683 171 G HN 0.852 nan 8.290 nan 0.000 0.527 172 E N 0.124 120.300 120.200 -0.039 0.000 2.171 172 E HA 0.547 4.895 4.350 -0.003 0.000 0.271 172 E C 0.223 176.783 176.600 -0.067 0.000 0.916 172 E CA -0.657 55.708 56.400 -0.059 0.000 0.774 172 E CB 0.730 30.386 29.700 -0.073 0.000 1.128 172 E HN 0.429 nan 8.360 nan 0.000 0.403 173 Q N 3.086 122.838 119.800 -0.079 0.000 2.248 173 Q HA 0.560 4.899 4.340 -0.003 0.000 0.263 173 Q C -0.516 175.389 176.000 -0.158 0.000 1.007 173 Q CA -0.878 54.874 55.803 -0.085 0.000 0.877 173 Q CB 2.227 30.932 28.738 -0.055 0.000 1.315 173 Q HN 0.547 nan 8.270 nan 0.000 0.454 174 I N 1.262 121.711 120.570 -0.201 0.000 2.499 174 I HA 0.148 4.316 4.170 -0.003 0.000 0.288 174 I C -0.808 175.170 176.117 -0.231 0.000 1.048 174 I CA -0.543 60.520 61.300 -0.395 0.000 1.062 174 I CB 1.962 39.407 38.000 -0.925 0.000 1.238 174 I HN 0.612 nan 8.210 nan 0.000 0.426 175 D N 5.027 125.327 120.400 -0.168 0.000 2.751 175 D HA -0.191 4.447 4.640 -0.003 0.000 0.233 175 D C 1.130 177.437 176.300 0.012 0.000 1.149 175 D CA 1.694 55.679 54.000 -0.024 0.000 0.682 175 D CB -0.841 40.025 40.800 0.111 0.000 1.068 175 D HN 1.186 nan 8.370 nan 0.000 0.429 176 G N -0.517 108.271 108.800 -0.021 0.000 2.162 176 G HA2 -0.308 3.650 3.960 -0.003 0.000 0.260 176 G HA3 -0.308 3.650 3.960 -0.003 0.000 0.260 176 G C 0.487 175.394 174.900 0.011 0.000 0.976 176 G CA 0.748 45.845 45.100 -0.005 0.000 0.655 176 G HN 0.821 nan 8.290 nan 0.000 0.533 177 I N -3.660 116.927 120.570 0.027 0.000 3.042 177 I HA 0.671 4.840 4.170 -0.003 0.000 0.310 177 I C -0.735 175.406 176.117 0.040 0.000 1.117 177 I CA -1.563 59.765 61.300 0.046 0.000 1.003 177 I CB 1.567 39.619 38.000 0.087 0.000 1.228 177 I HN -0.198 nan 8.210 nan 0.000 0.443 178 D N 2.642 123.065 120.400 0.039 0.000 2.488 178 D HA 0.122 4.761 4.640 -0.003 0.000 0.238 178 D C 1.184 177.525 176.300 0.067 0.000 1.138 178 D CA 0.479 54.497 54.000 0.031 0.000 0.873 178 D CB 1.687 42.501 40.800 0.023 0.000 1.183 178 D HN 0.758 nan 8.370 nan 0.000 0.458 179 A N 2.941 125.786 122.820 0.041 0.000 1.927 179 A HA -0.236 4.082 4.320 -0.003 0.000 0.220 179 A C 2.097 179.769 177.584 0.147 0.000 1.185 179 A CA 2.454 54.539 52.037 0.080 0.000 0.639 179 A CB -0.627 18.380 19.000 0.011 0.000 0.820 179 A HN 0.650 nan 8.150 nan 0.000 0.451 180 A N -0.944 121.924 122.820 0.080 0.000 1.933 180 A HA -0.215 4.103 4.320 -0.003 0.000 0.218 180 A C 2.115 179.742 177.584 0.071 0.000 1.175 180 A CA 1.685 53.760 52.037 0.063 0.000 0.628 180 A CB -0.532 18.483 19.000 0.024 0.000 0.814 180 A HN 0.698 nan 8.150 nan 0.000 0.444 181 Q N -2.257 117.592 119.800 0.081 0.000 2.079 181 Q HA -0.205 4.133 4.340 -0.003 0.000 0.200 181 Q C 1.933 177.986 176.000 0.088 0.000 0.974 181 Q CA 1.485 57.327 55.803 0.065 0.000 0.840 181 Q CB -0.261 28.514 28.738 0.062 0.000 0.898 181 Q HN 0.875 nan 8.270 nan 0.000 0.430 182 W N 1.515 122.799 121.300 -0.027 0.000 2.355 182 W HA -0.159 4.499 4.660 -0.003 0.000 0.309 182 W C 1.657 178.157 176.519 -0.032 0.000 1.206 182 W CA 1.348 58.675 57.345 -0.030 0.000 1.284 182 W CB -0.152 29.288 29.460 -0.034 0.000 1.145 182 W HN 0.004 nan 8.180 nan 0.000 0.502 183 I N 0.409 121.056 120.570 0.129 0.000 2.226 183 I HA -0.324 3.844 4.170 -0.003 0.000 0.245 183 I C 2.074 178.107 176.117 -0.139 0.000 1.100 183 I CA 1.735 63.016 61.300 -0.031 0.000 1.374 183 I CB -0.666 37.388 38.000 0.091 0.000 1.057 183 I HN -0.078 nan 8.210 nan 0.000 0.413 184 D N 1.125 121.478 120.400 -0.078 0.000 2.117 184 D HA -0.138 4.500 4.640 -0.003 0.000 0.197 184 D C 2.293 178.512 176.300 -0.135 0.000 0.987 184 D CA 1.593 55.546 54.000 -0.079 0.000 0.829 184 D CB -0.186 40.589 40.800 -0.042 0.000 0.961 184 D HN 0.344 nan 8.370 nan 0.000 0.460 185 A N 0.735 123.445 122.820 -0.183 0.000 1.908 185 A HA -0.148 4.171 4.320 -0.003 0.000 0.218 185 A C 2.558 179.961 177.584 -0.303 0.000 1.181 185 A CA 1.326 53.232 52.037 -0.219 0.000 0.627 185 A CB -0.730 18.131 19.000 -0.232 0.000 0.818 185 A HN 0.150 nan 8.150 nan 0.000 0.445 186 V N 0.520 120.148 119.914 -0.478 0.000 2.307 186 V HA -0.227 3.891 4.120 -0.003 0.000 0.245 186 V C 3.013 178.932 176.094 -0.293 0.000 1.045 186 V CA 2.442 64.446 62.300 -0.494 0.000 1.024 186 V CB -1.455 29.901 31.823 -0.779 0.000 0.651 186 V HN 0.834 nan 8.190 nan 0.000 0.449 187 T N -1.735 112.689 114.554 -0.218 0.000 2.833 187 T HA -0.216 4.133 4.350 -0.003 0.000 0.269 187 T C 1.633 176.301 174.700 -0.053 0.000 1.054 187 T CA 1.671 63.717 62.100 -0.090 0.000 1.135 187 T CB -0.392 68.489 68.868 0.022 0.000 0.869 187 T HN 0.572 nan 8.240 nan 0.000 0.466 188 E N 1.085 121.236 120.200 -0.082 0.000 2.077 188 E HA -0.146 4.202 4.350 -0.003 0.000 0.193 188 E C 2.334 178.892 176.600 -0.069 0.000 0.989 188 E CA 1.266 57.629 56.400 -0.061 0.000 0.800 188 E CB -0.151 29.508 29.700 -0.068 0.000 0.746 188 E HN 0.717 nan 8.360 nan 0.000 0.452 189 E N 0.845 120.982 120.200 -0.104 0.000 2.077 189 E HA -0.192 4.156 4.350 -0.003 0.000 0.193 189 E C 2.130 178.678 176.600 -0.087 0.000 0.989 189 E CA 0.701 57.041 56.400 -0.099 0.000 0.800 189 E CB 0.025 29.646 29.700 -0.130 0.000 0.746 189 E HN 0.214 nan 8.360 nan 0.000 0.452 190 L N 0.291 121.455 121.223 -0.099 0.000 2.083 190 L HA -0.147 4.191 4.340 -0.003 0.000 0.209 190 L C 2.678 179.529 176.870 -0.032 0.000 1.083 190 L CA 0.996 55.785 54.840 -0.084 0.000 0.752 190 L CB -0.503 41.482 42.059 -0.123 0.000 0.899 190 L HN 0.203 nan 8.230 nan 0.000 0.433 191 A N 0.101 122.915 122.820 -0.011 0.000 1.930 191 A HA -0.086 4.232 4.320 -0.003 0.000 0.217 191 A C 2.430 180.008 177.584 -0.011 0.000 1.175 191 A CA 1.590 53.629 52.037 0.003 0.000 0.627 191 A CB -0.525 18.478 19.000 0.005 0.000 0.815 191 A HN 0.389 nan 8.150 nan 0.000 0.443 192 A N -0.660 122.145 122.820 -0.025 0.000 2.167 192 A HA 0.542 4.860 4.320 -0.003 0.000 0.214 192 A C 1.341 178.909 177.584 -0.027 0.000 1.151 192 A CA 0.734 52.756 52.037 -0.025 0.000 0.735 192 A CB -0.690 18.292 19.000 -0.030 0.000 0.802 192 A HN 0.950 nan 8.150 nan 0.000 0.467 193 A N 0.209 123.008 122.820 -0.035 0.000 2.404 193 A HA 0.361 4.679 4.320 -0.003 0.000 0.273 193 A C 0.913 178.479 177.584 -0.031 0.000 1.144 193 A CA 0.151 52.164 52.037 -0.040 0.000 0.806 193 A CB 0.154 19.119 19.000 -0.058 0.000 1.080 193 A HN 0.530 nan 8.150 nan 0.000 0.509 194 E N 1.446 121.630 120.200 -0.027 0.000 2.150 194 E HA -0.146 4.203 4.350 -0.003 0.000 0.193 194 E C 0.421 177.009 176.600 -0.020 0.000 0.985 194 E CA 1.105 57.495 56.400 -0.017 0.000 0.814 194 E CB 0.196 29.889 29.700 -0.012 0.000 0.752 194 E HN 0.715 nan 8.360 nan 0.000 0.466 195 E N 0.331 120.506 120.200 -0.042 0.000 2.451 195 E HA 0.107 4.456 4.350 -0.003 0.000 0.194 195 E C -0.601 175.962 176.600 -0.061 0.000 1.027 195 E CA 0.128 56.497 56.400 -0.052 0.000 0.914 195 E CB 1.198 30.843 29.700 -0.091 0.000 1.054 195 E HN -0.004 nan 8.360 nan 0.000 0.461 196 T N 0.764 115.288 114.554 -0.050 0.000 2.823 196 T HA 0.429 4.778 4.350 -0.003 0.000 0.279 196 T C -0.134 174.552 174.700 -0.023 0.000 0.998 196 T CA -0.294 61.773 62.100 -0.054 0.000 0.994 196 T CB 1.875 70.702 68.868 -0.069 0.000 0.960 196 T HN -0.207 nan 8.240 nan 0.000 0.448 197 T N 2.855 117.393 114.554 -0.027 0.000 2.809 197 T HA 0.329 4.677 4.350 -0.003 0.000 0.284 197 T C -0.876 173.822 174.700 -0.003 0.000 0.992 197 T CA -0.558 61.534 62.100 -0.013 0.000 0.957 197 T CB 0.524 69.373 68.868 -0.033 0.000 0.942 197 T HN 0.678 nan 8.240 nan 0.000 0.439 198 H N 4.236 123.243 119.070 -0.105 0.000 2.595 198 H HA 0.570 5.124 4.556 -0.003 0.000 0.313 198 H C -1.154 174.101 175.328 -0.123 0.000 1.023 198 H CA -0.985 54.993 56.048 -0.116 0.000 1.218 198 H CB 0.549 30.257 29.762 -0.091 0.000 1.403 198 H HN 0.397 nan 8.280 nan 0.000 0.477 199 L N 5.198 126.400 121.223 -0.034 0.000 2.325 199 L HA 0.317 4.655 4.340 -0.003 0.000 0.281 199 L C -0.225 176.560 176.870 -0.140 0.000 1.004 199 L CA -0.836 53.895 54.840 -0.181 0.000 0.823 199 L CB 1.725 43.606 42.059 -0.297 0.000 1.236 199 L HN 0.566 nan 8.230 nan 0.000 0.415 200 Q N 1.988 121.669 119.800 -0.197 0.000 2.166 200 Q HA 0.435 4.774 4.340 -0.003 0.000 0.226 200 Q C 0.176 176.129 176.000 -0.079 0.000 0.989 200 Q CA -0.700 55.031 55.803 -0.121 0.000 0.966 200 Q CB 1.224 29.866 28.738 -0.161 0.000 1.173 200 Q HN 0.399 nan 8.270 nan 0.000 0.509 201 R N -0.857 119.613 120.500 -0.051 0.000 3.741 201 R HA -0.131 4.207 4.340 -0.003 0.000 0.292 201 R C -0.656 175.656 176.300 0.019 0.000 1.176 201 R CA 0.852 56.938 56.100 -0.024 0.000 0.794 201 R CB -2.040 28.218 30.300 -0.071 0.000 1.213 201 R HN 0.441 nan 8.270 nan 0.000 0.494 202 T N 0.116 114.674 114.554 0.006 0.000 2.809 202 T HA 0.322 4.670 4.350 -0.003 0.000 0.284 202 T C -0.075 174.647 174.700 0.037 0.000 0.992 202 T CA -0.473 61.636 62.100 0.014 0.000 0.957 202 T CB 2.124 70.939 68.868 -0.089 0.000 0.942 202 T HN -0.052 nan 8.240 nan 0.000 0.439 203 T N 2.823 117.443 114.554 0.109 0.000 2.758 203 T HA 0.374 4.722 4.350 -0.003 0.000 0.285 203 T C 0.285 175.083 174.700 0.164 0.000 0.981 203 T CA -0.500 61.695 62.100 0.158 0.000 0.965 203 T CB 0.947 69.963 68.868 0.246 0.000 0.927 203 T HN 0.344 nan 8.240 nan 0.000 0.448 204 V N 6.042 125.986 119.914 0.051 0.000 2.405 204 V HA 0.150 4.268 4.120 -0.003 0.000 0.264 204 V C 0.676 176.806 176.094 0.060 0.000 1.048 204 V CA 0.013 62.282 62.300 -0.050 0.000 0.966 204 V CB -0.623 31.123 31.823 -0.127 0.000 1.015 204 V HN 0.955 nan 8.190 nan 0.000 0.477 205 F N 2.611 122.593 119.950 0.054 0.000 2.717 205 F HA 0.700 5.225 4.527 -0.003 0.000 0.297 205 F C 0.863 176.716 175.800 0.088 0.000 1.113 205 F CA -0.212 57.862 58.000 0.123 0.000 1.319 205 F CB 0.146 39.224 39.000 0.129 0.000 1.097 205 F HN 0.395 nan 8.300 nan 0.000 0.595 206 G N 0.137 108.742 108.800 -0.326 0.000 2.701 206 G HA2 0.456 4.415 3.960 -0.003 0.000 0.300 206 G HA3 0.456 4.415 3.960 -0.003 0.000 0.300 206 G C -1.770 172.892 174.900 -0.396 0.000 1.410 206 G CA -0.741 44.201 45.100 -0.265 0.000 1.014 206 G HN 0.148 nan 8.290 nan 0.000 0.509 207 S N 0.978 116.324 115.700 -0.591 0.000 2.659 207 S HA 0.763 5.232 4.470 -0.003 0.000 0.312 207 S C -1.112 173.149 174.600 -0.565 0.000 1.114 207 S CA -0.601 57.367 58.200 -0.387 0.000 1.063 207 S CB 0.258 63.321 63.200 -0.228 0.000 0.996 207 S HN 0.438 nan 8.310 nan 0.000 0.478 208 Y N 1.308 121.628 120.300 0.033 0.000 2.686 208 Y HA 0.430 4.979 4.550 -0.003 0.000 0.330 208 Y C 0.289 176.225 175.900 0.061 0.000 1.082 208 Y CA -1.305 56.834 58.100 0.065 0.000 1.158 208 Y CB 0.358 38.893 38.460 0.125 0.000 1.333 208 Y HN 0.494 nan 8.280 nan 0.000 0.519 209 D N 0.624 121.154 120.400 0.217 0.000 2.629 209 D HA 0.257 4.895 4.640 -0.003 0.000 0.228 209 D C 0.317 176.682 176.300 0.109 0.000 1.127 209 D CA 1.785 55.852 54.000 0.111 0.000 0.855 209 D CB 0.089 40.932 40.800 0.071 0.000 1.180 209 D HN 0.867 nan 8.370 nan 0.000 0.484 210 A N 3.271 126.132 122.820 0.068 0.000 2.745 210 A HA -0.318 4.000 4.320 -0.003 0.000 0.296 210 A C 0.502 178.142 177.584 0.093 0.000 1.500 210 A CA 0.545 52.621 52.037 0.066 0.000 0.766 210 A CB -1.893 17.141 19.000 0.057 0.000 1.030 210 A HN 0.707 nan 8.150 nan 0.000 0.489 211 N N -2.900 115.851 118.700 0.085 0.000 2.725 211 N HA -0.231 4.508 4.740 -0.003 0.000 0.251 211 N C -0.483 175.097 175.510 0.116 0.000 1.031 211 N CA 1.803 54.898 53.050 0.074 0.000 0.720 211 N CB -1.691 36.824 38.487 0.047 0.000 0.930 211 N HN 1.045 nan 8.380 nan 0.000 0.543 212 Y N 1.227 121.551 120.300 0.039 0.000 2.454 212 Y HA 0.424 4.972 4.550 -0.003 0.000 0.345 212 Y C 0.052 176.001 175.900 0.082 0.000 0.970 212 Y CA -0.835 57.294 58.100 0.048 0.000 1.204 212 Y CB 0.429 38.931 38.460 0.071 0.000 1.122 212 Y HN 0.062 nan 8.280 nan 0.000 0.514 213 I N 7.531 127.951 120.570 -0.250 0.000 2.460 213 I HA 0.320 4.488 4.170 -0.003 0.000 0.298 213 I C -0.631 175.227 176.117 -0.430 0.000 0.989 213 I CA -1.089 60.063 61.300 -0.247 0.000 1.173 213 I CB 1.483 39.361 38.000 -0.202 0.000 1.338 213 I HN 0.570 nan 8.210 nan 0.000 0.456 214 L N 4.907 125.854 121.223 -0.460 0.000 2.325 214 L HA 0.753 5.092 4.340 -0.003 0.000 0.281 214 L C -0.128 176.198 176.870 -0.908 0.000 1.004 214 L CA -0.268 54.117 54.840 -0.758 0.000 0.823 214 L CB 1.801 43.328 42.059 -0.887 0.000 1.236 214 L HN 0.782 nan 8.230 nan 0.000 0.415 215 A N 2.971 125.522 122.820 -0.448 0.000 2.454 215 A HA 0.938 5.256 4.320 -0.003 0.000 0.302 215 A C -1.029 176.720 177.584 0.274 0.000 1.079 215 A CA -0.546 51.435 52.037 -0.094 0.000 0.731 215 A CB 1.841 20.782 19.000 -0.098 0.000 1.299 215 A HN 0.674 nan 8.150 nan 0.000 0.413 216 A N 1.191 124.254 122.820 0.404 0.000 2.285 216 A HA 0.616 4.935 4.320 -0.003 0.000 0.310 216 A C -0.341 177.404 177.584 0.267 0.000 1.266 216 A CA -0.410 51.847 52.037 0.366 0.000 0.832 216 A CB 0.449 19.624 19.000 0.291 0.000 1.163 216 A HN 0.849 nan 8.150 nan 0.000 0.499 217 Q N 2.250 122.245 119.800 0.324 0.000 2.303 217 Q HA 0.427 4.766 4.340 -0.003 0.000 0.257 217 Q C -0.783 175.363 176.000 0.243 0.000 0.941 217 Q CA -0.719 55.239 55.803 0.259 0.000 0.931 217 Q CB 0.635 29.600 28.738 0.379 0.000 1.215 217 Q HN 0.584 nan 8.270 nan 0.000 0.437 218 R N 3.171 123.779 120.500 0.179 0.000 2.248 218 R HA 0.185 4.523 4.340 -0.003 0.000 0.337 218 R C 0.598 177.013 176.300 0.192 0.000 1.106 218 R CA 0.113 56.324 56.100 0.184 0.000 0.959 218 R CB 0.375 30.764 30.300 0.147 0.000 1.075 218 R HN 0.701 nan 8.270 nan 0.000 0.480 219 R N 0.224 120.857 120.500 0.221 0.000 2.066 219 R HA -0.008 4.330 4.340 -0.003 0.000 0.224 219 R C 0.960 177.423 176.300 0.272 0.000 1.122 219 R CA 1.603 57.839 56.100 0.226 0.000 0.974 219 R CB 0.253 30.671 30.300 0.198 0.000 0.871 219 R HN 0.578 nan 8.270 nan 0.000 0.435 220 T N -2.578 112.101 114.554 0.209 0.000 3.091 220 T HA 0.187 4.535 4.350 -0.003 0.000 0.277 220 T C 1.525 176.301 174.700 0.127 0.000 0.996 220 T CA -0.262 61.910 62.100 0.120 0.000 0.897 220 T CB 0.458 69.361 68.868 0.058 0.000 1.109 220 T HN -0.124 nan 8.240 nan 0.000 0.534 221 V N 2.907 122.959 119.914 0.230 0.000 2.568 221 V HA -0.151 3.968 4.120 -0.003 0.000 0.253 221 V C 2.533 178.740 176.094 0.188 0.000 1.072 221 V CA 1.935 64.350 62.300 0.191 0.000 1.084 221 V CB -0.947 30.989 31.823 0.188 0.000 0.676 221 V HN 0.836 nan 8.190 nan 0.000 0.469 222 H N -1.111 118.007 119.070 0.079 0.000 2.524 222 H HA 0.304 4.859 4.556 -0.003 0.000 0.280 222 H C 0.374 175.745 175.328 0.072 0.000 1.018 222 H CA -0.375 55.716 56.048 0.072 0.000 1.165 222 H CB -0.528 29.275 29.762 0.070 0.000 1.411 222 H HN 0.346 nan 8.280 nan 0.000 0.569 223 L N 1.220 122.276 121.223 -0.277 0.000 2.325 223 L HA 0.142 4.481 4.340 -0.003 0.000 0.279 223 L C 0.901 177.754 176.870 -0.029 0.000 1.054 223 L CA -0.697 54.009 54.840 -0.223 0.000 0.804 223 L CB 1.484 43.403 42.059 -0.233 0.000 1.200 223 L HN -0.052 nan 8.230 nan 0.000 0.436 224 D N 2.147 122.538 120.400 -0.014 0.000 2.117 224 D HA -0.044 4.594 4.640 -0.003 0.000 0.197 224 D C 0.932 177.280 176.300 0.081 0.000 0.987 224 D CA 1.263 55.286 54.000 0.039 0.000 0.829 224 D CB 0.214 41.026 40.800 0.020 0.000 0.961 224 D HN 0.701 nan 8.370 nan 0.000 0.460 225 G N 1.194 109.990 108.800 -0.007 0.000 2.770 225 G HA2 0.356 4.315 3.960 -0.003 0.000 0.298 225 G HA3 0.356 4.315 3.960 -0.003 0.000 0.298 225 G C -2.852 171.941 174.900 -0.177 0.000 1.534 225 G CA -0.842 44.186 45.100 -0.121 0.000 1.046 225 G HN -0.136 nan 8.290 nan 0.000 0.548 226 P HA 0.219 nan 4.420 nan 0.000 0.276 226 P C 0.842 178.037 177.300 -0.174 0.000 1.253 226 P CA -0.041 62.971 63.100 -0.147 0.000 0.766 226 P CB 1.682 33.334 31.700 -0.080 0.000 0.845 227 S N 2.822 118.447 115.700 -0.125 0.000 2.136 227 S HA 0.360 4.829 4.470 -0.003 0.000 0.205 227 S C 0.874 175.410 174.600 -0.107 0.000 1.346 227 S CA 0.289 58.421 58.200 -0.114 0.000 1.084 227 S CB -1.422 61.727 63.200 -0.084 0.000 0.767 227 S HN 0.809 nan 8.310 nan 0.000 0.423 228 G N 0.879 109.623 108.800 -0.094 0.000 2.775 228 G HA2 -0.174 3.785 3.960 -0.003 0.000 0.205 228 G HA3 -0.174 3.785 3.960 -0.003 0.000 0.205 228 G C -0.454 174.360 174.900 -0.143 0.000 0.201 228 G CA 0.419 45.456 45.100 -0.105 0.000 1.125 228 G HN 0.922 nan 8.290 nan 0.000 0.534 229 Q N 1.476 121.185 119.800 -0.152 0.000 2.293 229 Q HA 0.528 4.866 4.340 -0.003 0.000 0.251 229 Q C 1.475 177.273 176.000 -0.337 0.000 0.930 229 Q CA 1.110 56.791 55.803 -0.203 0.000 0.893 229 Q CB 0.802 29.455 28.738 -0.142 0.000 1.215 229 Q HN 2.242 nan 8.270 nan 0.000 0.425 230 G N 1.977 110.391 108.800 -0.642 0.000 2.162 230 G HA2 -0.220 3.739 3.960 -0.003 0.000 0.260 230 G HA3 -0.220 3.739 3.960 -0.003 0.000 0.260 230 G C -0.354 174.013 174.900 -0.888 0.000 0.976 230 G CA 0.155 44.564 45.100 -1.152 0.000 0.655 230 G HN 0.581 nan 8.290 nan 0.000 0.533 231 V N 2.607 122.234 119.914 -0.479 0.000 2.348 231 V HA 0.537 4.656 4.120 -0.003 0.000 0.270 231 V C 1.090 177.170 176.094 -0.025 0.000 1.037 231 V CA -0.148 62.050 62.300 -0.170 0.000 0.872 231 V CB 1.120 32.884 31.823 -0.098 0.000 1.002 231 V HN 0.862 nan 8.190 nan 0.000 0.464 232 S N 5.023 120.830 115.700 0.179 0.000 2.560 232 S HA 0.124 4.592 4.470 -0.003 0.000 0.284 232 S C 1.102 175.768 174.600 0.111 0.000 1.327 232 S CA -0.222 58.130 58.200 0.254 0.000 1.055 232 S CB 0.964 64.329 63.200 0.275 0.000 0.868 232 S HN 0.768 nan 8.310 nan 0.000 0.506 233 R N 1.818 122.316 120.500 -0.004 0.000 2.062 233 R HA 0.040 4.378 4.340 -0.003 0.000 0.229 233 R C 0.135 176.536 176.300 0.168 0.000 1.128 233 R CA 1.108 57.223 56.100 0.026 0.000 0.960 233 R CB 0.101 30.328 30.300 -0.122 0.000 0.855 233 R HN 0.860 nan 8.270 nan 0.000 0.432 234 E N -0.248 120.113 120.200 0.267 0.000 2.293 234 E HA 0.267 4.616 4.350 -0.003 0.000 0.270 234 E C -1.372 175.446 176.600 0.363 0.000 0.879 234 E CA -0.902 55.712 56.400 0.357 0.000 0.756 234 E CB 2.511 32.469 29.700 0.430 0.000 1.208 234 E HN 0.062 nan 8.360 nan 0.000 0.428 235 R N 3.206 123.899 120.500 0.321 0.000 2.513 235 R HA 0.357 4.695 4.340 -0.003 0.000 0.301 235 R C -1.137 175.337 176.300 0.290 0.000 0.968 235 R CA -0.610 55.656 56.100 0.277 0.000 0.872 235 R CB 0.789 31.209 30.300 0.201 0.000 1.177 235 R HN 0.384 nan 8.270 nan 0.000 0.444 236 I N 4.684 125.382 120.570 0.213 0.000 2.312 236 I HA 0.202 4.371 4.170 -0.003 0.000 0.291 236 I C -0.507 175.594 176.117 -0.028 0.000 1.031 236 I CA -0.686 60.659 61.300 0.075 0.000 1.293 236 I CB 0.319 38.162 38.000 -0.262 0.000 1.403 236 I HN 0.591 nan 8.210 nan 0.000 0.484 237 W N 5.514 126.744 121.300 -0.118 0.000 2.390 237 W HA 0.348 5.006 4.660 -0.003 0.000 0.312 237 W C 0.049 176.346 176.519 -0.370 0.000 1.123 237 W CA -0.183 57.085 57.345 -0.129 0.000 1.202 237 W CB 0.425 29.831 29.460 -0.090 0.000 1.251 237 W HN 0.376 nan 8.180 nan 0.000 0.511 238 H N 3.625 122.554 119.070 -0.236 0.000 2.638 238 H HA 0.459 5.013 4.556 -0.003 0.000 0.303 238 H C -0.451 174.671 175.328 -0.343 0.000 1.034 238 H CA -0.567 55.200 56.048 -0.467 0.000 1.225 238 H CB 0.434 29.864 29.762 -0.552 0.000 1.394 238 H HN 0.189 nan 8.280 nan 0.000 0.477 239 I N 2.639 123.025 120.570 -0.306 0.000 2.362 239 I HA 0.302 4.471 4.170 -0.003 0.000 0.289 239 I C 0.081 176.052 176.117 -0.243 0.000 0.994 239 I CA -0.895 60.303 61.300 -0.171 0.000 1.158 239 I CB 1.295 39.239 38.000 -0.094 0.000 1.315 239 I HN 0.273 nan 8.210 nan 0.000 0.451 240 R N 5.953 126.330 120.500 -0.206 0.000 2.230 240 R HA 0.640 4.979 4.340 -0.003 0.000 0.337 240 R C -0.861 175.379 176.300 -0.099 0.000 1.063 240 R CA -0.228 55.773 56.100 -0.165 0.000 0.935 240 R CB 0.715 30.771 30.300 -0.406 0.000 1.121 240 R HN 0.715 nan 8.270 nan 0.000 0.486 241 A N 4.056 126.861 122.820 -0.024 0.000 2.305 241 A HA 0.356 4.675 4.320 -0.003 0.000 0.322 241 A C 0.242 177.857 177.584 0.051 0.000 1.187 241 A CA -0.694 51.352 52.037 0.016 0.000 0.825 241 A CB 0.958 19.956 19.000 -0.002 0.000 1.164 241 A HN 0.872 nan 8.150 nan 0.000 0.498 242 K N 0.310 120.756 120.400 0.077 0.000 2.025 242 K HA -0.032 4.287 4.320 -0.003 0.000 0.207 242 K C 0.116 176.770 176.600 0.090 0.000 1.049 242 K CA 1.100 57.443 56.287 0.093 0.000 0.933 242 K CB 0.008 32.578 32.500 0.116 0.000 0.714 242 K HN 0.687 nan 8.250 nan 0.000 0.438 243 Q N 0.284 120.137 119.800 0.088 0.000 2.372 243 Q HA 0.397 4.735 4.340 -0.003 0.000 0.273 243 Q C -1.226 174.827 176.000 0.088 0.000 1.078 243 Q CA -0.599 55.277 55.803 0.122 0.000 0.806 243 Q CB 2.683 31.507 28.738 0.143 0.000 1.332 243 Q HN -0.137 nan 8.270 nan 0.000 0.435 244 V N 1.528 121.518 119.914 0.126 0.000 2.588 244 V HA 0.510 4.629 4.120 -0.003 0.000 0.304 244 V C -0.453 175.717 176.094 0.127 0.000 1.042 244 V CA -0.792 61.552 62.300 0.073 0.000 0.877 244 V CB 2.227 34.065 31.823 0.026 0.000 0.996 244 V HN 0.513 nan 8.190 nan 0.000 0.425 245 V N 6.079 126.020 119.914 0.045 0.000 2.357 245 V HA 0.463 4.582 4.120 -0.003 0.000 0.284 245 V C -0.238 175.851 176.094 -0.009 0.000 1.018 245 V CA -0.465 61.859 62.300 0.040 0.000 0.841 245 V CB 1.570 33.377 31.823 -0.027 0.000 0.991 245 V HN 0.627 nan 8.190 nan 0.000 0.437 246 L N 4.494 125.713 121.223 -0.007 0.000 2.264 246 L HA 0.738 5.076 4.340 -0.003 0.000 0.289 246 L C 0.500 177.333 176.870 -0.060 0.000 1.044 246 L CA -0.270 54.540 54.840 -0.049 0.000 0.807 246 L CB 1.476 43.505 42.059 -0.050 0.000 1.192 246 L HN 0.746 nan 8.230 nan 0.000 0.425 247 A N 0.983 123.756 122.820 -0.077 0.000 3.176 247 A HA 0.251 4.569 4.320 -0.003 0.000 0.265 247 A C 0.875 178.403 177.584 -0.092 0.000 0.936 247 A CA -0.229 51.762 52.037 -0.076 0.000 1.033 247 A CB -0.114 18.849 19.000 -0.061 0.000 1.158 247 A HN 0.739 nan 8.150 nan 0.000 0.485 248 T N -2.380 112.103 114.554 -0.119 0.000 3.160 248 T HA 0.464 4.813 4.350 -0.003 0.000 0.257 248 T C 1.153 175.766 174.700 -0.145 0.000 1.147 248 T CA 1.213 63.220 62.100 -0.154 0.000 1.064 248 T CB -0.606 68.126 68.868 -0.226 0.000 0.949 248 T HN 2.202 nan 8.240 nan 0.000 0.526 249 A N 0.837 123.589 122.820 -0.113 0.000 6.086 249 A HA 0.307 4.626 4.320 -0.003 0.000 0.252 249 A C 0.300 177.821 177.584 -0.106 0.000 2.197 249 A CA -0.084 51.894 52.037 -0.099 0.000 0.706 249 A CB -1.552 17.404 19.000 -0.073 0.000 1.023 249 A HN 1.997 nan 8.150 nan 0.000 0.358 250 A N -1.311 121.472 122.820 -0.063 0.000 2.475 250 A HA 0.749 5.068 4.320 -0.003 0.000 0.301 250 A C -0.606 177.067 177.584 0.147 0.000 1.059 250 A CA 0.130 52.178 52.037 0.020 0.000 0.710 250 A CB 0.904 19.970 19.000 0.111 0.000 1.288 250 A HN 1.263 nan 8.150 nan 0.000 0.408 251 H N 0.342 119.578 119.070 0.275 0.000 2.472 251 H HA 0.390 4.945 4.556 -0.003 0.000 0.335 251 H C -0.006 175.478 175.328 0.260 0.000 1.136 251 H CA -0.389 55.814 56.048 0.259 0.000 1.264 251 H CB 1.382 31.284 29.762 0.232 0.000 1.486 251 H HN 0.823 nan 8.280 nan 0.000 0.517 252 E N 1.813 122.186 120.200 0.288 0.000 2.373 252 E HA 0.104 4.453 4.350 -0.003 0.000 0.263 252 E C -0.412 176.169 176.600 -0.032 0.000 1.073 252 E CA -0.555 55.778 56.400 -0.111 0.000 0.894 252 E CB 0.886 30.499 29.700 -0.145 0.000 1.008 252 E HN 0.450 nan 8.360 nan 0.000 0.420 253 R N 3.804 124.213 120.500 -0.152 0.000 2.514 253 R HA 0.439 4.778 4.340 -0.003 0.000 0.301 253 R C -2.361 173.964 176.300 0.041 0.000 0.962 253 R CA -1.978 54.144 56.100 0.035 0.000 0.882 253 R CB 1.345 31.692 30.300 0.078 0.000 1.143 253 R HN 0.426 nan 8.270 nan 0.000 0.452 254 P HA 0.298 nan 4.420 nan 0.000 0.297 254 P C -0.744 176.679 177.300 0.205 0.000 1.307 254 P CA -0.435 62.795 63.100 0.217 0.000 0.773 254 P CB 1.211 33.145 31.700 0.391 0.000 1.265 255 I N -0.599 120.130 120.570 0.264 0.000 2.474 255 I HA 0.241 4.409 4.170 -0.003 0.000 0.294 255 I C -0.183 176.125 176.117 0.318 0.000 1.005 255 I CA -1.294 60.185 61.300 0.298 0.000 1.113 255 I CB 2.252 40.457 38.000 0.341 0.000 1.289 255 I HN -0.065 nan 8.210 nan 0.000 0.436 256 V N 7.019 127.107 119.914 0.290 0.000 2.372 256 V HA 0.313 4.432 4.120 -0.003 0.000 0.261 256 V C -0.389 175.891 176.094 0.311 0.000 1.055 256 V CA -0.086 62.352 62.300 0.230 0.000 0.930 256 V CB -0.587 31.400 31.823 0.272 0.000 1.031 256 V HN 0.559 nan 8.190 nan 0.000 0.479 257 F N 1.193 121.154 119.950 0.018 0.000 2.685 257 F HA 0.667 5.192 4.527 -0.003 0.000 0.315 257 F C -0.251 175.192 175.800 -0.595 0.000 1.126 257 F CA -1.641 56.220 58.000 -0.232 0.000 0.950 257 F CB 1.377 40.342 39.000 -0.059 0.000 1.360 257 F HN 0.290 nan 8.300 nan 0.000 0.469 258 E N 1.419 121.258 120.200 -0.601 0.000 2.415 258 E HA 0.072 4.420 4.350 -0.003 0.000 0.263 258 E C -0.308 176.299 176.600 0.012 0.000 0.995 258 E CA 0.397 56.594 56.400 -0.338 0.000 0.915 258 E CB 0.033 29.727 29.700 -0.009 0.000 0.951 258 E HN 0.702 nan 8.360 nan 0.000 0.449 259 N N 3.103 121.845 118.700 0.070 0.000 2.725 259 N HA -0.216 4.522 4.740 -0.003 0.000 0.251 259 N C -0.576 174.933 175.510 -0.002 0.000 1.031 259 N CA 1.005 54.120 53.050 0.108 0.000 0.720 259 N CB -1.357 37.172 38.487 0.071 0.000 0.930 259 N HN 0.598 nan 8.380 nan 0.000 0.543 260 N N -0.050 118.492 118.700 -0.262 0.000 2.322 260 N HA -0.013 4.725 4.740 -0.003 0.000 0.216 260 N C 0.273 175.656 175.510 -0.212 0.000 1.144 260 N CA 0.016 52.691 53.050 -0.626 0.000 0.830 260 N CB 0.203 37.786 38.487 -1.506 0.000 1.034 260 N HN 0.376 nan 8.380 nan 0.000 0.484 261 D N -0.842 119.486 120.400 -0.120 0.000 2.503 261 D HA 0.045 4.683 4.640 -0.003 0.000 0.218 261 D C -0.042 176.162 176.300 -0.159 0.000 1.183 261 D CA -0.351 53.498 54.000 -0.252 0.000 0.827 261 D CB 0.174 40.577 40.800 -0.662 0.000 1.034 261 D HN 0.034 nan 8.370 nan 0.000 0.510 262 R N 1.277 121.745 120.500 -0.052 0.000 2.543 262 R HA 0.309 4.648 4.340 -0.003 0.000 0.277 262 R C -2.400 173.905 176.300 0.007 0.000 1.074 262 R CA -1.396 54.689 56.100 -0.025 0.000 1.076 262 R CB -0.104 30.202 30.300 0.010 0.000 0.993 262 R HN -0.009 nan 8.270 nan 0.000 0.459 263 P HA -0.047 nan 4.420 nan 0.000 0.263 263 P C 0.542 177.856 177.300 0.023 0.000 1.195 263 P CA 1.034 64.137 63.100 0.005 0.000 0.762 263 P CB 0.656 32.346 31.700 -0.017 0.000 0.799 264 G N 3.080 111.904 108.800 0.040 0.000 2.316 264 G HA2 -0.175 3.784 3.960 -0.003 0.000 0.203 264 G HA3 -0.175 3.784 3.960 -0.003 0.000 0.203 264 G C 0.071 175.010 174.900 0.066 0.000 0.999 264 G CA -0.529 44.593 45.100 0.038 0.000 0.649 264 G HN 0.465 nan 8.290 nan 0.000 0.489 265 I N 2.325 122.961 120.570 0.111 0.000 2.352 265 I HA 0.596 4.764 4.170 -0.003 0.000 0.290 265 I C 0.506 176.720 176.117 0.161 0.000 1.036 265 I CA 0.222 61.617 61.300 0.159 0.000 1.336 265 I CB 0.941 39.076 38.000 0.225 0.000 1.407 265 I HN 0.155 nan 8.210 nan 0.000 0.497 266 M N 6.213 125.810 119.600 -0.005 0.000 2.569 266 M HA 0.450 4.928 4.480 -0.003 0.000 0.279 266 M C -0.941 175.122 176.300 -0.396 0.000 1.253 266 M CA -0.777 54.357 55.300 -0.277 0.000 0.867 266 M CB 2.385 34.922 32.600 -0.106 0.000 1.727 266 M HN 0.261 nan 8.290 nan 0.000 0.467 267 L N 1.540 122.360 121.223 -0.671 0.000 2.499 267 L HA 0.137 4.475 4.340 -0.003 0.000 0.273 267 L C 1.383 178.143 176.870 -0.184 0.000 1.195 267 L CA -0.164 54.431 54.840 -0.408 0.000 0.882 267 L CB 0.652 42.476 42.059 -0.391 0.000 1.133 267 L HN 1.052 nan 8.230 nan 0.000 0.483 268 A N 3.724 126.473 122.820 -0.119 0.000 1.940 268 A HA -0.149 4.169 4.320 -0.003 0.000 0.219 268 A C 2.144 179.717 177.584 -0.018 0.000 1.176 268 A CA 1.904 53.905 52.037 -0.060 0.000 0.631 268 A CB -0.907 18.056 19.000 -0.063 0.000 0.814 268 A HN 0.974 nan 8.150 nan 0.000 0.446 269 G N -1.150 107.654 108.800 0.007 0.000 2.443 269 G HA2 -0.070 3.888 3.960 -0.003 0.000 0.219 269 G HA3 -0.070 3.888 3.960 -0.003 0.000 0.219 269 G C 1.710 176.611 174.900 0.003 0.000 1.131 269 G CA 1.229 46.360 45.100 0.052 0.000 0.775 269 G HN 0.504 nan 8.290 nan 0.000 0.547 270 S N -0.179 115.503 115.700 -0.029 0.000 2.414 270 S HA -0.036 4.432 4.470 -0.003 0.000 0.227 270 S C 2.459 177.073 174.600 0.023 0.000 1.022 270 S CA 0.747 58.910 58.200 -0.062 0.000 0.958 270 S CB 0.001 63.173 63.200 -0.047 0.000 0.797 270 S HN 0.185 nan 8.310 nan 0.000 0.493 271 V N 1.944 121.905 119.914 0.078 0.000 2.427 271 V HA -0.126 3.993 4.120 -0.003 0.000 0.248 271 V C 2.499 178.662 176.094 0.116 0.000 1.051 271 V CA 1.623 64.012 62.300 0.148 0.000 1.048 271 V CB -0.555 31.308 31.823 0.067 0.000 0.666 271 V HN 0.376 nan 8.190 nan 0.000 0.456 272 R N -0.210 120.319 120.500 0.048 0.000 2.092 272 R HA -0.150 4.188 4.340 -0.003 0.000 0.231 272 R C 2.647 178.957 176.300 0.017 0.000 1.119 272 R CA 1.637 57.756 56.100 0.032 0.000 0.970 272 R CB -0.354 29.954 30.300 0.013 0.000 0.864 272 R HN 0.492 nan 8.270 nan 0.000 0.440 273 S N -0.409 115.271 115.700 -0.034 0.000 2.356 273 S HA -0.176 4.292 4.470 -0.003 0.000 0.223 273 S C 1.756 176.336 174.600 -0.033 0.000 1.032 273 S CA 1.174 59.313 58.200 -0.102 0.000 1.005 273 S CB -0.345 62.739 63.200 -0.193 0.000 0.867 273 S HN 0.444 nan 8.310 nan 0.000 0.449 274 Y N 1.170 121.598 120.300 0.213 0.000 2.207 274 Y HA -0.029 4.520 4.550 -0.003 0.000 0.287 274 Y C 2.209 178.228 175.900 0.199 0.000 1.156 274 Y CA 1.060 59.343 58.100 0.305 0.000 1.182 274 Y CB -0.768 37.794 38.460 0.170 0.000 0.979 274 Y HN 0.306 nan 8.280 nan 0.000 0.521 275 L N 0.236 121.602 121.223 0.238 0.000 1.988 275 L HA -0.184 4.155 4.340 -0.003 0.000 0.207 275 L C 1.855 178.779 176.870 0.091 0.000 1.071 275 L CA 1.938 56.866 54.840 0.147 0.000 0.744 275 L CB -0.710 41.406 42.059 0.096 0.000 0.893 275 L HN 0.104 nan 8.230 nan 0.000 0.433 276 N N -0.772 117.950 118.700 0.037 0.000 2.290 276 N HA -0.091 4.648 4.740 -0.003 0.000 0.179 276 N C 1.947 177.412 175.510 -0.075 0.000 1.016 276 N CA 0.990 54.032 53.050 -0.013 0.000 0.871 276 N CB -0.202 38.267 38.487 -0.029 0.000 0.987 276 N HN 0.371 nan 8.380 nan 0.000 0.431 277 R N -0.517 119.889 120.500 -0.157 0.000 2.140 277 R HA 0.114 4.452 4.340 -0.003 0.000 0.213 277 R C 0.572 176.564 176.300 -0.514 0.000 1.059 277 R CA 0.795 56.650 56.100 -0.408 0.000 1.000 277 R CB 0.123 30.032 30.300 -0.652 0.000 0.910 277 R HN 0.041 nan 8.270 nan 0.000 0.455 278 F N -0.870 119.128 119.950 0.080 0.000 2.706 278 F HA 0.393 4.919 4.527 -0.003 0.000 0.313 278 F C 1.147 177.025 175.800 0.130 0.000 1.096 278 F CA 0.288 58.367 58.000 0.132 0.000 1.219 278 F CB 1.214 40.350 39.000 0.226 0.000 1.051 278 F HN 0.191 nan 8.300 nan 0.000 0.568 279 G N 1.475 110.409 108.800 0.223 0.000 2.198 279 G HA2 -0.235 3.724 3.960 -0.003 0.000 0.260 279 G HA3 -0.235 3.724 3.960 -0.003 0.000 0.260 279 G C -0.259 174.750 174.900 0.181 0.000 1.025 279 G CA 0.305 45.503 45.100 0.164 0.000 0.769 279 G HN 0.191 nan 8.290 nan 0.000 0.507 280 V N 0.017 120.067 119.914 0.226 0.000 2.555 280 V HA 0.592 4.710 4.120 -0.003 0.000 0.302 280 V C 0.659 176.836 176.094 0.138 0.000 1.038 280 V CA -0.978 61.423 62.300 0.168 0.000 0.887 280 V CB 1.881 33.797 31.823 0.155 0.000 0.991 280 V HN 0.398 nan 8.190 nan 0.000 0.434 281 R N 2.976 123.524 120.500 0.080 0.000 2.229 281 R HA 0.541 4.880 4.340 -0.003 0.000 0.332 281 R C 1.118 177.435 176.300 0.029 0.000 0.989 281 R CA 0.061 56.198 56.100 0.062 0.000 0.842 281 R CB 1.387 31.715 30.300 0.046 0.000 1.119 281 R HN 0.905 nan 8.270 nan 0.000 0.456 282 A N 3.368 126.207 122.820 0.031 0.000 2.076 282 A HA 0.063 4.381 4.320 -0.003 0.000 0.220 282 A C 0.859 178.435 177.584 -0.013 0.000 1.160 282 A CA 1.562 53.592 52.037 -0.012 0.000 0.653 282 A CB -0.071 18.937 19.000 0.013 0.000 0.801 282 A HN 0.823 nan 8.150 nan 0.000 0.455 283 G N -3.689 105.114 108.800 0.004 0.000 2.441 283 G HA2 0.402 4.361 3.960 -0.003 0.000 0.294 283 G HA3 0.402 4.361 3.960 -0.003 0.000 0.294 283 G C 0.079 174.986 174.900 0.011 0.000 1.393 283 G CA 0.429 45.531 45.100 0.003 0.000 0.796 283 G HN 0.063 nan 8.290 nan 0.000 0.494 284 S N -0.812 114.895 115.700 0.011 0.000 2.511 284 S HA 0.228 4.696 4.470 -0.003 0.000 0.214 284 S C 0.684 175.295 174.600 0.018 0.000 0.997 284 S CA 0.406 58.615 58.200 0.015 0.000 0.908 284 S CB 0.108 63.315 63.200 0.013 0.000 0.803 284 S HN 0.356 nan 8.310 nan 0.000 0.504 285 K N 1.821 122.232 120.400 0.018 0.000 2.753 285 K HA 0.390 4.708 4.320 -0.003 0.000 0.185 285 K C -1.334 175.278 176.600 0.020 0.000 1.071 285 K CA -0.040 56.261 56.287 0.024 0.000 0.999 285 K CB 0.886 33.405 32.500 0.031 0.000 1.244 285 K HN 0.204 nan 8.250 nan 0.000 0.594 286 I N 2.132 122.709 120.570 0.012 0.000 2.325 286 I HA 0.237 4.405 4.170 -0.003 0.000 0.291 286 I C 0.347 176.454 176.117 -0.015 0.000 1.019 286 I CA -0.394 60.907 61.300 0.002 0.000 1.302 286 I CB 1.354 39.355 38.000 0.001 0.000 1.401 286 I HN 0.383 nan 8.210 nan 0.000 0.485 287 A N 6.642 129.447 122.820 -0.025 0.000 2.306 287 A HA 0.815 5.133 4.320 -0.003 0.000 0.330 287 A C -0.598 176.939 177.584 -0.079 0.000 1.146 287 A CA -0.494 51.503 52.037 -0.067 0.000 0.827 287 A CB 1.329 20.286 19.000 -0.071 0.000 1.178 287 A HN 0.457 nan 8.150 nan 0.000 0.490 288 V N 0.916 120.759 119.914 -0.118 0.000 2.487 288 V HA 0.680 4.799 4.120 -0.003 0.000 0.298 288 V C 0.198 176.202 176.094 -0.149 0.000 1.028 288 V CA -0.286 61.938 62.300 -0.127 0.000 0.860 288 V CB 1.390 33.118 31.823 -0.157 0.000 0.991 288 V HN 1.225 nan 8.190 nan 0.000 0.427 289 A N 3.197 125.940 122.820 -0.129 0.000 2.318 289 A HA 0.877 5.196 4.320 -0.003 0.000 0.317 289 A C -0.276 177.239 177.584 -0.115 0.000 1.159 289 A CA -0.465 51.490 52.037 -0.136 0.000 0.799 289 A CB 1.719 20.629 19.000 -0.151 0.000 1.194 289 A HN 0.766 nan 8.150 nan 0.000 0.479 290 T N -0.086 114.402 114.554 -0.111 0.000 2.864 290 T HA 0.596 4.944 4.350 -0.003 0.000 0.299 290 T C 0.692 175.358 174.700 -0.057 0.000 1.166 290 T CA 0.426 62.473 62.100 -0.089 0.000 1.007 290 T CB 1.545 70.342 68.868 -0.120 0.000 1.219 290 T HN 1.102 nan 8.240 nan 0.000 0.506 291 T N -0.223 114.305 114.554 -0.043 0.000 3.043 291 T HA 0.347 4.695 4.350 -0.003 0.000 0.272 291 T C 0.400 175.110 174.700 0.017 0.000 0.990 291 T CA -0.376 61.702 62.100 -0.038 0.000 0.897 291 T CB -0.310 68.506 68.868 -0.087 0.000 1.111 291 T HN 0.740 nan 8.240 nan 0.000 0.529 292 N N -0.141 118.592 118.700 0.055 0.000 3.243 292 N HA 0.199 4.937 4.740 -0.003 0.000 0.280 292 N C -1.050 174.566 175.510 0.176 0.000 1.545 292 N CA -0.524 52.596 53.050 0.117 0.000 0.854 292 N CB 0.841 39.418 38.487 0.149 0.000 1.612 292 N HN -0.240 nan 8.380 nan 0.000 0.577 293 D N 0.128 120.650 120.400 0.203 0.000 2.347 293 D HA -0.074 4.565 4.640 -0.003 0.000 0.215 293 D C 1.739 178.181 176.300 0.236 0.000 0.976 293 D CA 0.932 55.111 54.000 0.299 0.000 0.884 293 D CB -0.174 40.735 40.800 0.182 0.000 0.915 293 D HN 0.620 nan 8.370 nan 0.000 0.526 294 S N 0.508 116.314 115.700 0.176 0.000 2.420 294 S HA -0.183 4.286 4.470 -0.003 0.000 0.237 294 S C 2.115 176.756 174.600 0.069 0.000 1.023 294 S CA 1.407 59.699 58.200 0.153 0.000 0.991 294 S CB -0.716 62.705 63.200 0.369 0.000 0.792 294 S HN 0.243 nan 8.310 nan 0.000 0.488 295 V N -2.411 117.468 119.914 -0.060 0.000 3.306 295 V HA 0.154 4.273 4.120 -0.003 0.000 0.264 295 V C 1.942 177.865 176.094 -0.285 0.000 1.149 295 V CA 0.543 62.725 62.300 -0.197 0.000 1.143 295 V CB -1.578 30.058 31.823 -0.312 0.000 0.767 295 V HN 0.398 nan 8.190 nan 0.000 0.476 296 Y N 1.304 121.612 120.300 0.013 0.000 2.293 296 Y HA 0.086 4.634 4.550 -0.003 0.000 0.291 296 Y C 0.202 176.102 175.900 -0.001 0.000 1.137 296 Y CA 1.461 59.562 58.100 0.001 0.000 1.202 296 Y CB -1.955 36.502 38.460 -0.004 0.000 0.990 296 Y HN 0.406 nan 8.280 nan 0.000 0.537 297 P HA -0.152 nan 4.420 nan 0.000 0.217 297 P C 1.777 179.094 177.300 0.028 0.000 1.151 297 P CA 1.006 64.139 63.100 0.055 0.000 0.828 297 P CB -0.001 31.718 31.700 0.032 0.000 0.788 298 L N -0.433 120.793 121.223 0.005 0.000 2.017 298 L HA -0.135 4.203 4.340 -0.003 0.000 0.208 298 L C 2.084 178.951 176.870 -0.005 0.000 1.073 298 L CA 1.913 56.750 54.840 -0.005 0.000 0.745 298 L CB -1.270 40.775 42.059 -0.024 0.000 0.894 298 L HN -0.198 nan 8.230 nan 0.000 0.432 299 V N -0.606 119.296 119.914 -0.020 0.000 2.282 299 V HA -0.336 3.782 4.120 -0.003 0.000 0.249 299 V C 2.824 178.937 176.094 0.030 0.000 1.057 299 V CA 2.056 64.355 62.300 -0.001 0.000 1.032 299 V CB -1.064 30.768 31.823 0.015 0.000 0.645 299 V HN 0.709 nan 8.190 nan 0.000 0.447 300 S N -0.527 115.203 115.700 0.049 0.000 2.359 300 S HA -0.267 4.202 4.470 -0.003 0.000 0.224 300 S C 1.938 176.555 174.600 0.027 0.000 1.035 300 S CA 2.109 60.334 58.200 0.043 0.000 1.018 300 S CB -0.320 62.908 63.200 0.047 0.000 0.876 300 S HN 0.732 nan 8.310 nan 0.000 0.448 301 E N 0.287 120.501 120.200 0.023 0.000 2.204 301 E HA -0.000 4.348 4.350 -0.003 0.000 0.194 301 E C 1.862 178.474 176.600 0.020 0.000 0.989 301 E CA 0.891 57.303 56.400 0.019 0.000 0.824 301 E CB -0.137 29.573 29.700 0.016 0.000 0.756 301 E HN 0.501 nan 8.360 nan 0.000 0.477 302 L N 0.076 121.311 121.223 0.019 0.000 2.492 302 L HA 0.031 4.369 4.340 -0.003 0.000 0.223 302 L C 2.337 179.218 176.870 0.020 0.000 1.132 302 L CA 0.131 54.983 54.840 0.020 0.000 0.850 302 L CB -0.220 41.848 42.059 0.015 0.000 0.966 302 L HN 0.147 nan 8.230 nan 0.000 0.454 303 A N 0.718 123.550 122.820 0.020 0.000 1.892 303 A HA -0.275 4.043 4.320 -0.003 0.000 0.218 303 A C 2.565 180.160 177.584 0.018 0.000 1.188 303 A CA 1.981 54.030 52.037 0.019 0.000 0.631 303 A CB -0.702 18.310 19.000 0.020 0.000 0.822 303 A HN 0.394 nan 8.150 nan 0.000 0.447 304 A N -0.006 122.825 122.820 0.017 0.000 1.978 304 A HA -0.078 4.240 4.320 -0.003 0.000 0.220 304 A C 2.172 179.767 177.584 0.018 0.000 1.170 304 A CA 2.207 54.254 52.037 0.016 0.000 0.636 304 A CB -0.783 18.227 19.000 0.016 0.000 0.810 304 A HN 1.148 nan 8.150 nan 0.000 0.448 305 S N -2.598 113.115 115.700 0.020 0.000 2.622 305 S HA 0.480 4.948 4.470 -0.003 0.000 0.236 305 S C 0.990 175.603 174.600 0.021 0.000 0.956 305 S CA 0.738 58.952 58.200 0.022 0.000 0.971 305 S CB 0.035 63.251 63.200 0.026 0.000 0.782 305 S HN 1.746 nan 8.310 nan 0.000 0.468 306 G N -0.362 108.450 108.800 0.019 0.000 2.318 306 G HA2 0.314 4.272 3.960 -0.003 0.000 0.172 306 G HA3 0.314 4.272 3.960 -0.003 0.000 0.172 306 G C 0.839 175.750 174.900 0.019 0.000 1.002 306 G CA 0.041 45.152 45.100 0.019 0.000 0.697 306 G HN 1.686 nan 8.290 nan 0.000 0.483 307 G N -1.372 107.439 108.800 0.018 0.000 2.598 307 G HA2 0.282 4.240 3.960 -0.003 0.000 0.244 307 G HA3 0.282 4.240 3.960 -0.003 0.000 0.244 307 G C 0.445 175.353 174.900 0.013 0.000 1.302 307 G CA 1.384 46.495 45.100 0.017 0.000 0.903 307 G HN 2.089 nan 8.290 nan 0.000 0.575 308 V N -3.253 116.667 119.914 0.009 0.000 3.040 308 V HA 0.776 4.894 4.120 -0.003 0.000 0.312 308 V C 1.314 177.408 176.094 0.001 0.000 1.115 308 V CA 0.075 62.373 62.300 -0.002 0.000 0.998 308 V CB 1.227 33.037 31.823 -0.022 0.000 1.042 308 V HN 1.389 nan 8.190 nan 0.000 0.433 309 V N 1.288 121.199 119.914 -0.004 0.000 2.295 309 V HA 0.315 4.433 4.120 -0.003 0.000 0.246 309 V C 1.144 177.219 176.094 -0.032 0.000 1.049 309 V CA 2.436 64.745 62.300 0.016 0.000 1.024 309 V CB -0.532 31.311 31.823 0.034 0.000 0.648 309 V HN 1.641 nan 8.190 nan 0.000 0.447 310 A N -1.854 120.899 122.820 -0.112 0.000 2.522 310 A HA 0.587 4.905 4.320 -0.003 0.000 0.294 310 A C -1.537 175.941 177.584 -0.176 0.000 1.001 310 A CA -0.421 51.514 52.037 -0.169 0.000 0.642 310 A CB 1.033 19.813 19.000 -0.367 0.000 1.326 310 A HN 0.012 nan 8.150 nan 0.000 0.435 311 V N 2.154 121.986 119.914 -0.137 0.000 2.357 311 V HA 0.418 4.537 4.120 -0.003 0.000 0.284 311 V C -0.560 175.456 176.094 -0.131 0.000 1.018 311 V CA -0.475 61.752 62.300 -0.121 0.000 0.841 311 V CB 1.355 33.156 31.823 -0.036 0.000 0.991 311 V HN 0.613 nan 8.190 nan 0.000 0.437 312 I N 3.971 124.442 120.570 -0.165 0.000 2.287 312 I HA 0.336 4.505 4.170 -0.003 0.000 0.290 312 I C 0.061 176.120 176.117 -0.097 0.000 1.069 312 I CA 0.006 61.214 61.300 -0.155 0.000 1.237 312 I CB 0.766 38.646 38.000 -0.200 0.000 1.418 312 I HN 0.561 nan 8.210 nan 0.000 0.481 313 D N 5.121 125.495 120.400 -0.042 0.000 2.280 313 D HA 0.390 5.029 4.640 -0.003 0.000 0.236 313 D C 0.852 177.141 176.300 -0.018 0.000 1.082 313 D CA -0.252 53.748 54.000 -0.001 0.000 0.834 313 D CB 2.235 43.083 40.800 0.080 0.000 1.100 313 D HN 0.579 nan 8.370 nan 0.000 0.486 314 A N 4.941 127.741 122.820 -0.032 0.000 2.067 314 A HA -0.069 4.250 4.320 -0.003 0.000 0.219 314 A C 1.176 178.745 177.584 -0.025 0.000 1.158 314 A CA 0.595 52.608 52.037 -0.041 0.000 0.661 314 A CB 0.002 18.964 19.000 -0.063 0.000 0.801 314 A HN 0.540 nan 8.150 nan 0.000 0.452 315 R N 0.349 120.845 120.500 -0.007 0.000 2.537 315 R HA 0.124 4.463 4.340 -0.003 0.000 0.280 315 R C 0.795 177.095 176.300 0.001 0.000 1.058 315 R CA -0.368 55.733 56.100 0.000 0.000 1.057 315 R CB 0.404 30.715 30.300 0.018 0.000 0.973 315 R HN 0.357 nan 8.270 nan 0.000 0.438 316 Q N 1.577 121.377 119.800 -0.001 0.000 2.124 316 Q HA -0.113 4.226 4.340 -0.003 0.000 0.202 316 Q C -0.064 175.935 176.000 -0.000 0.000 0.977 316 Q CA 1.585 57.388 55.803 -0.000 0.000 0.850 316 Q CB -0.142 28.597 28.738 0.001 0.000 0.901 316 Q HN 0.574 nan 8.270 nan 0.000 0.429 317 N N -0.606 118.093 118.700 -0.001 0.000 2.362 317 N HA 0.412 5.150 4.740 -0.003 0.000 0.299 317 N C -0.721 174.781 175.510 -0.014 0.000 1.170 317 N CA -0.584 52.462 53.050 -0.007 0.000 0.825 317 N CB 1.835 40.317 38.487 -0.008 0.000 1.299 317 N HN -0.065 nan 8.380 nan 0.000 0.502 318 I N 1.630 122.184 120.570 -0.027 0.000 2.517 318 I HA 0.032 4.200 4.170 -0.003 0.000 0.285 318 I C 0.836 176.914 176.117 -0.066 0.000 1.106 318 I CA -0.076 61.193 61.300 -0.052 0.000 1.402 318 I CB 0.209 38.173 38.000 -0.060 0.000 1.399 318 I HN 0.598 nan 8.210 nan 0.000 0.535 319 S N 5.226 120.873 115.700 -0.088 0.000 2.645 319 S HA 0.406 4.875 4.470 -0.003 0.000 0.266 319 S C 1.246 175.771 174.600 -0.125 0.000 1.258 319 S CA -0.191 57.958 58.200 -0.085 0.000 0.990 319 S CB 1.632 64.792 63.200 -0.066 0.000 0.967 319 S HN 0.695 nan 8.310 nan 0.000 0.556 320 A N 1.321 124.083 122.820 -0.097 0.000 1.908 320 A HA 0.099 4.417 4.320 -0.003 0.000 0.218 320 A C 2.411 179.907 177.584 -0.147 0.000 1.181 320 A CA 2.017 53.995 52.037 -0.100 0.000 0.627 320 A CB -1.762 17.197 19.000 -0.068 0.000 0.818 320 A HN 1.359 nan 8.150 nan 0.000 0.445 321 A N -0.261 122.457 122.820 -0.170 0.000 1.898 321 A HA 0.186 4.504 4.320 -0.003 0.000 0.216 321 A C 2.497 179.760 177.584 -0.535 0.000 1.181 321 A CA 2.028 53.928 52.037 -0.229 0.000 0.620 321 A CB -1.017 17.916 19.000 -0.111 0.000 0.819 321 A HN 1.114 nan 8.150 nan 0.000 0.442 322 A N -0.187 122.162 122.820 -0.785 0.000 2.019 322 A HA 0.184 4.502 4.320 -0.003 0.000 0.219 322 A C 2.414 179.713 177.584 -0.475 0.000 1.164 322 A CA 1.848 53.219 52.037 -1.109 0.000 0.644 322 A CB -0.861 17.715 19.000 -0.707 0.000 0.805 322 A HN 1.054 nan 8.150 nan 0.000 0.449 323 A N -0.960 121.687 122.820 -0.287 0.000 1.972 323 A HA -0.176 4.142 4.320 -0.003 0.000 0.219 323 A C 2.036 179.545 177.584 -0.125 0.000 1.169 323 A CA 1.664 53.606 52.037 -0.158 0.000 0.635 323 A CB -0.369 18.562 19.000 -0.114 0.000 0.810 323 A HN 0.479 nan 8.150 nan 0.000 0.446 324 Q N -0.467 119.248 119.800 -0.141 0.000 2.224 324 Q HA 0.005 4.343 4.340 -0.003 0.000 0.203 324 Q C 2.274 178.244 176.000 -0.050 0.000 0.970 324 Q CA 1.445 57.200 55.803 -0.079 0.000 0.865 324 Q CB -0.799 27.900 28.738 -0.064 0.000 0.922 324 Q HN 0.672 nan 8.270 nan 0.000 0.445 325 A N 0.235 123.014 122.820 -0.068 0.000 1.929 325 A HA -0.066 4.252 4.320 -0.003 0.000 0.216 325 A C 2.399 179.988 177.584 0.007 0.000 1.176 325 A CA 1.121 53.171 52.037 0.022 0.000 0.628 325 A CB -0.474 18.606 19.000 0.135 0.000 0.816 325 A HN 0.189 nan 8.150 nan 0.000 0.444 326 V N 0.841 120.737 119.914 -0.031 0.000 2.343 326 V HA -0.242 3.877 4.120 -0.003 0.000 0.247 326 V C 2.858 178.944 176.094 -0.012 0.000 1.051 326 V CA 2.436 64.725 62.300 -0.019 0.000 1.036 326 V CB -1.501 30.300 31.823 -0.036 0.000 0.654 326 V HN 0.772 nan 8.190 nan 0.000 0.451 327 T N -1.852 112.689 114.554 -0.021 0.000 2.915 327 T HA -0.151 4.197 4.350 -0.003 0.000 0.269 327 T C 1.288 175.986 174.700 -0.004 0.000 1.071 327 T CA 1.282 63.373 62.100 -0.014 0.000 1.132 327 T CB -0.351 68.505 68.868 -0.020 0.000 0.878 327 T HN 0.412 nan 8.240 nan 0.000 0.479 328 D N 1.324 121.725 120.400 0.001 0.000 2.349 328 D HA 0.228 4.866 4.640 -0.003 0.000 0.224 328 D C 1.674 177.982 176.300 0.014 0.000 1.029 328 D CA 0.772 54.777 54.000 0.009 0.000 0.879 328 D CB -0.278 40.533 40.800 0.018 0.000 0.906 328 D HN 0.619 nan 8.370 nan 0.000 0.528 329 G N 0.226 109.033 108.800 0.012 0.000 2.141 329 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.242 329 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.242 329 G C 0.376 175.289 174.900 0.022 0.000 0.982 329 G CA 0.128 45.237 45.100 0.016 0.000 0.662 329 G HN 0.278 nan 8.290 nan 0.000 0.527 330 V N 1.158 121.089 119.914 0.028 0.000 2.686 330 V HA 0.448 4.566 4.120 -0.003 0.000 0.295 330 V C 1.148 177.260 176.094 0.031 0.000 1.055 330 V CA 0.454 62.775 62.300 0.035 0.000 1.050 330 V CB 1.487 33.344 31.823 0.057 0.000 0.984 330 V HN 0.306 nan 8.190 nan 0.000 0.482 331 T N 4.693 119.261 114.554 0.024 0.000 2.727 331 T HA 0.365 4.713 4.350 -0.003 0.000 0.295 331 T C -0.211 174.488 174.700 -0.001 0.000 0.915 331 T CA -0.075 62.035 62.100 0.018 0.000 1.066 331 T CB 0.379 69.262 68.868 0.025 0.000 0.891 331 T HN 0.398 nan 8.240 nan 0.000 0.516 332 V N 5.593 125.514 119.914 0.012 0.000 2.409 332 V HA 0.420 4.538 4.120 -0.003 0.000 0.291 332 V C -0.534 175.559 176.094 -0.002 0.000 1.020 332 V CA -0.963 61.347 62.300 0.017 0.000 0.848 332 V CB 1.514 33.373 31.823 0.059 0.000 0.990 332 V HN 0.601 nan 8.190 nan 0.000 0.430 333 L N 5.297 126.501 121.223 -0.032 0.000 2.280 333 L HA 0.562 4.901 4.340 -0.003 0.000 0.287 333 L C 0.767 177.627 176.870 -0.016 0.000 1.023 333 L CA 0.220 55.044 54.840 -0.026 0.000 0.819 333 L CB 1.691 43.714 42.059 -0.060 0.000 1.212 333 L HN 0.868 nan 8.230 nan 0.000 0.420 334 T N -1.090 113.463 114.554 -0.002 0.000 2.874 334 T HA 0.544 4.892 4.350 -0.003 0.000 0.281 334 T C 1.114 175.812 174.700 -0.004 0.000 0.994 334 T CA -0.177 61.923 62.100 0.000 0.000 1.015 334 T CB 1.354 70.223 68.868 0.003 0.000 1.028 334 T HN 0.975 nan 8.240 nan 0.000 0.523 335 G N 0.961 109.757 108.800 -0.006 0.000 2.296 335 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.282 335 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.282 335 G C 0.125 175.016 174.900 -0.014 0.000 1.014 335 G CA 0.397 45.492 45.100 -0.009 0.000 0.812 335 G HN 1.060 nan 8.290 nan 0.000 0.508 336 S N -1.731 113.954 115.700 -0.025 0.000 2.599 336 S HA 0.866 5.334 4.470 -0.003 0.000 0.294 336 S C 0.022 174.583 174.600 -0.065 0.000 1.094 336 S CA -0.221 57.958 58.200 -0.035 0.000 0.931 336 S CB 2.910 66.091 63.200 -0.032 0.000 1.093 336 S HN 1.529 nan 8.310 nan 0.000 0.488 337 V N -1.671 118.196 119.914 -0.078 0.000 3.159 337 V HA 0.770 4.888 4.120 -0.003 0.000 0.308 337 V C -0.796 175.187 176.094 -0.184 0.000 1.190 337 V CA -0.958 61.262 62.300 -0.134 0.000 1.037 337 V CB 1.430 33.189 31.823 -0.107 0.000 1.060 337 V HN 0.574 nan 8.190 nan 0.000 0.437 338 V N 2.062 121.771 119.914 -0.341 0.000 2.488 338 V HA 0.598 4.717 4.120 -0.003 0.000 0.277 338 V C 1.170 176.998 176.094 -0.444 0.000 1.046 338 V CA 0.804 62.850 62.300 -0.424 0.000 0.986 338 V CB 0.837 32.249 31.823 -0.684 0.000 0.989 338 V HN 1.304 nan 8.190 nan 0.000 0.475 339 A N 4.559 127.273 122.820 -0.176 0.000 2.343 339 A HA 0.408 4.726 4.320 -0.003 0.000 0.223 339 A C 0.642 178.275 177.584 0.081 0.000 1.214 339 A CA 0.171 52.193 52.037 -0.025 0.000 0.900 339 A CB 0.031 19.044 19.000 0.023 0.000 0.942 339 A HN 0.696 nan 8.150 nan 0.000 0.507 340 N N -1.362 117.384 118.700 0.077 0.000 3.348 340 N HA 0.366 5.104 4.740 -0.003 0.000 0.233 340 N C -1.328 174.265 175.510 0.139 0.000 1.440 340 N CA 0.615 53.755 53.050 0.150 0.000 0.887 340 N CB 1.359 39.901 38.487 0.091 0.000 1.410 340 N HN 0.232 nan 8.380 nan 0.000 0.502 341 T N -2.123 112.519 114.554 0.147 0.000 2.864 341 T HA 0.735 5.084 4.350 -0.003 0.000 0.299 341 T C -1.069 173.670 174.700 0.066 0.000 1.166 341 T CA -0.708 61.464 62.100 0.120 0.000 1.007 341 T CB 2.141 71.114 68.868 0.175 0.000 1.219 341 T HN 0.396 nan 8.240 nan 0.000 0.506 342 E N -0.141 120.088 120.200 0.048 0.000 2.320 342 E HA 0.716 5.065 4.350 -0.003 0.000 0.264 342 E C -0.837 175.772 176.600 0.015 0.000 0.923 342 E CA -1.527 54.885 56.400 0.020 0.000 0.796 342 E CB 2.396 32.106 29.700 0.015 0.000 1.262 342 E HN 0.953 nan 8.360 nan 0.000 0.428 343 A N 1.264 124.083 122.820 -0.003 0.000 2.384 343 A HA 0.533 4.852 4.320 -0.003 0.000 0.312 343 A C -0.942 176.638 177.584 -0.007 0.000 1.113 343 A CA -0.818 51.216 52.037 -0.005 0.000 0.779 343 A CB 0.959 19.948 19.000 -0.019 0.000 1.307 343 A HN 0.691 nan 8.150 nan 0.000 0.436 344 D N 0.374 120.770 120.400 -0.006 0.000 2.478 344 D HA 0.488 5.127 4.640 -0.003 0.000 0.274 344 D C 1.207 177.500 176.300 -0.011 0.000 1.234 344 D CA 0.127 54.123 54.000 -0.007 0.000 1.069 344 D CB 0.273 41.070 40.800 -0.005 0.000 1.113 344 D HN 0.487 nan 8.370 nan 0.000 0.571 345 A N -0.369 122.445 122.820 -0.010 0.000 1.978 345 A HA -0.134 4.185 4.320 -0.003 0.000 0.220 345 A C 1.951 179.527 177.584 -0.014 0.000 1.170 345 A CA 2.095 54.125 52.037 -0.012 0.000 0.636 345 A CB -1.174 17.820 19.000 -0.010 0.000 0.810 345 A HN 0.593 nan 8.150 nan 0.000 0.448 346 S N -2.042 113.649 115.700 -0.014 0.000 2.603 346 S HA 0.371 4.840 4.470 -0.003 0.000 0.220 346 S C 1.402 175.990 174.600 -0.020 0.000 0.967 346 S CA 1.035 59.225 58.200 -0.017 0.000 0.920 346 S CB -0.321 62.869 63.200 -0.016 0.000 0.773 346 S HN 1.908 nan 8.310 nan 0.000 0.529 347 G N 0.566 109.354 108.800 -0.020 0.000 2.176 347 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.253 347 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.253 347 G C -0.217 174.670 174.900 -0.022 0.000 0.979 347 G CA 0.153 45.238 45.100 -0.025 0.000 0.641 347 G HN 0.620 nan 8.290 nan 0.000 0.530 348 E N -0.264 119.926 120.200 -0.016 0.000 2.318 348 E HA 0.538 4.886 4.350 -0.003 0.000 0.265 348 E C 0.337 176.938 176.600 0.002 0.000 1.069 348 E CA -1.067 55.328 56.400 -0.009 0.000 0.893 348 E CB 1.559 31.253 29.700 -0.010 0.000 1.076 348 E HN 0.219 nan 8.360 nan 0.000 0.414 349 L N 2.191 123.422 121.223 0.013 0.000 2.578 349 L HA -0.121 4.217 4.340 -0.003 0.000 0.279 349 L C 0.734 177.619 176.870 0.025 0.000 1.227 349 L CA 1.043 55.900 54.840 0.028 0.000 0.900 349 L CB 0.449 42.535 42.059 0.046 0.000 1.144 349 L HN 0.645 nan 8.230 nan 0.000 0.496 350 S N 2.661 118.377 115.700 0.028 0.000 2.593 350 S HA 0.741 5.209 4.470 -0.003 0.000 0.235 350 S C 0.299 174.921 174.600 0.037 0.000 1.059 350 S CA 0.139 58.354 58.200 0.025 0.000 0.953 350 S CB 0.325 63.533 63.200 0.014 0.000 0.897 350 S HN 1.076 nan 8.310 nan 0.000 0.507 351 A N 0.917 123.765 122.820 0.047 0.000 2.597 351 A HA 0.682 5.000 4.320 -0.003 0.000 0.292 351 A C -1.205 176.426 177.584 0.078 0.000 1.057 351 A CA -0.338 51.738 52.037 0.065 0.000 0.674 351 A CB 1.077 20.106 19.000 0.048 0.000 1.278 351 A HN 1.183 nan 8.150 nan 0.000 0.416 352 V N -1.064 118.913 119.914 0.104 0.000 2.680 352 V HA 0.873 4.991 4.120 -0.003 0.000 0.309 352 V C -1.179 174.985 176.094 0.118 0.000 1.052 352 V CA -0.922 61.433 62.300 0.092 0.000 0.908 352 V CB 1.360 33.213 31.823 0.050 0.000 1.001 352 V HN 0.735 nan 8.190 nan 0.000 0.431 353 L N 4.806 126.073 121.223 0.073 0.000 2.265 353 L HA 0.617 4.956 4.340 -0.003 0.000 0.289 353 L C 0.028 176.929 176.870 0.052 0.000 1.033 353 L CA 0.011 54.895 54.840 0.074 0.000 0.814 353 L CB 1.427 43.514 42.059 0.047 0.000 1.203 353 L HN 0.647 nan 8.230 nan 0.000 0.423 354 V N 2.850 122.835 119.914 0.117 0.000 2.472 354 V HA 0.929 5.048 4.120 -0.003 0.000 0.290 354 V C 0.166 176.298 176.094 0.064 0.000 1.037 354 V CA -0.507 61.835 62.300 0.071 0.000 0.908 354 V CB 1.455 33.351 31.823 0.122 0.000 0.985 354 V HN 0.868 nan 8.190 nan 0.000 0.454 355 A N 2.570 125.401 122.820 0.019 0.000 2.572 355 A HA 0.824 5.142 4.320 -0.003 0.000 0.295 355 A C -0.132 177.457 177.584 0.008 0.000 1.072 355 A CA -0.379 51.672 52.037 0.023 0.000 0.691 355 A CB 1.741 20.753 19.000 0.021 0.000 1.291 355 A HN 0.910 nan 8.150 nan 0.000 0.404 356 T N -0.815 113.748 114.554 0.015 0.000 2.898 356 T HA 0.502 4.851 4.350 -0.003 0.000 0.301 356 T C -0.377 174.328 174.700 0.008 0.000 1.049 356 T CA -0.090 62.015 62.100 0.008 0.000 1.095 356 T CB 0.748 69.624 68.868 0.012 0.000 0.976 356 T HN 1.411 nan 8.240 nan 0.000 0.539 357 L N 2.934 124.159 121.223 0.003 0.000 2.457 357 L HA 0.449 4.788 4.340 -0.003 0.000 0.266 357 L C -0.792 176.081 176.870 0.006 0.000 0.979 357 L CA -0.526 54.319 54.840 0.009 0.000 0.857 357 L CB 1.297 43.359 42.059 0.004 0.000 1.213 357 L HN 0.952 nan 8.230 nan 0.000 0.418 358 D N 1.906 122.313 120.400 0.011 0.000 2.398 358 D HA 0.086 4.725 4.640 -0.003 0.000 0.247 358 D C 0.534 176.839 176.300 0.010 0.000 1.227 358 D CA -0.162 53.844 54.000 0.010 0.000 0.980 358 D CB 0.598 41.405 40.800 0.012 0.000 1.106 358 D HN 0.601 nan 8.370 nan 0.000 0.493 359 E N -1.310 118.896 120.200 0.010 0.000 2.333 359 E HA -0.146 4.202 4.350 -0.003 0.000 0.198 359 E C 1.110 177.721 176.600 0.018 0.000 1.007 359 E CA 0.656 57.062 56.400 0.011 0.000 0.845 359 E CB 0.018 29.726 29.700 0.013 0.000 0.766 359 E HN 0.360 nan 8.360 nan 0.000 0.507 360 Q N 0.027 119.838 119.800 0.019 0.000 2.320 360 Q HA 0.126 4.465 4.340 -0.003 0.000 0.201 360 Q C -0.105 175.912 176.000 0.028 0.000 0.910 360 Q CA -0.015 55.802 55.803 0.023 0.000 0.946 360 Q CB 0.430 29.180 28.738 0.020 0.000 1.062 360 Q HN 0.208 nan 8.270 nan 0.000 0.503 361 R N 0.428 120.946 120.500 0.029 0.000 3.531 361 R HA -0.168 4.171 4.340 -0.003 0.000 0.280 361 R C -0.847 175.479 176.300 0.044 0.000 1.130 361 R CA 0.390 56.514 56.100 0.039 0.000 0.757 361 R CB -2.334 27.996 30.300 0.050 0.000 1.218 361 R HN 0.377 nan 8.270 nan 0.000 0.454 362 N N 0.458 119.178 118.700 0.034 0.000 2.455 362 N HA 0.393 5.131 4.740 -0.003 0.000 0.280 362 N C -0.233 175.297 175.510 0.033 0.000 1.055 362 N CA -0.538 52.532 53.050 0.034 0.000 0.961 362 N CB 1.161 39.663 38.487 0.025 0.000 1.121 362 N HN 0.041 nan 8.380 nan 0.000 0.476 363 L N 1.325 122.570 121.223 0.037 0.000 2.334 363 L HA 0.483 4.822 4.340 -0.003 0.000 0.277 363 L C 1.232 178.116 176.870 0.024 0.000 1.075 363 L CA -0.531 54.329 54.840 0.033 0.000 0.804 363 L CB 1.123 43.208 42.059 0.043 0.000 1.174 363 L HN 0.616 nan 8.230 nan 0.000 0.438 364 G N 1.421 110.234 108.800 0.021 0.000 2.532 364 G HA2 0.265 4.223 3.960 -0.003 0.000 0.291 364 G HA3 0.265 4.223 3.960 -0.003 0.000 0.291 364 G C -0.432 174.478 174.900 0.017 0.000 1.349 364 G CA -0.515 44.596 45.100 0.018 0.000 1.038 364 G HN 0.471 nan 8.290 nan 0.000 0.518 365 E N -0.347 119.862 120.200 0.015 0.000 2.383 365 E HA 0.412 4.761 4.350 -0.003 0.000 0.264 365 E C 0.457 177.068 176.600 0.019 0.000 1.050 365 E CA -0.152 56.256 56.400 0.012 0.000 0.896 365 E CB 1.413 31.117 29.700 0.007 0.000 0.982 365 E HN 0.526 nan 8.360 nan 0.000 0.424 366 A N 2.745 125.575 122.820 0.017 0.000 2.316 366 A HA 0.258 4.576 4.320 -0.003 0.000 0.284 366 A C 0.019 177.615 177.584 0.020 0.000 1.115 366 A CA -0.318 51.735 52.037 0.026 0.000 0.812 366 A CB 0.616 19.631 19.000 0.025 0.000 1.064 366 A HN 0.569 nan 8.150 nan 0.000 0.489 367 Q N 0.835 120.662 119.800 0.044 0.000 2.337 367 Q HA 0.474 4.813 4.340 -0.003 0.000 0.266 367 Q C -0.534 175.455 176.000 -0.019 0.000 1.023 367 Q CA -0.718 55.078 55.803 -0.011 0.000 0.829 367 Q CB 1.397 30.150 28.738 0.025 0.000 1.306 367 Q HN 0.790 nan 8.270 nan 0.000 0.449 368 R N 3.238 123.651 120.500 -0.145 0.000 2.297 368 R HA 0.404 4.743 4.340 -0.003 0.000 0.308 368 R C -1.548 174.568 176.300 -0.307 0.000 1.029 368 R CA -0.081 55.953 56.100 -0.110 0.000 0.929 368 R CB 0.569 30.819 30.300 -0.082 0.000 1.046 368 R HN 0.463 nan 8.270 nan 0.000 0.461 369 F N 2.149 122.092 119.950 -0.010 0.000 2.518 369 F HA 0.286 4.812 4.527 -0.003 0.000 0.323 369 F C 0.063 175.859 175.800 -0.005 0.000 1.129 369 F CA -0.720 57.274 58.000 -0.009 0.000 0.920 369 F CB 2.101 41.092 39.000 -0.014 0.000 1.160 369 F HN 0.430 nan 8.300 nan 0.000 0.440 370 E N 2.335 122.616 120.200 0.135 0.000 2.316 370 E HA 0.622 4.970 4.350 -0.003 0.000 0.275 370 E C -0.708 175.951 176.600 0.098 0.000 1.029 370 E CA -0.297 56.155 56.400 0.086 0.000 0.871 370 E CB 1.163 30.891 29.700 0.047 0.000 1.022 370 E HN 0.644 nan 8.360 nan 0.000 0.418 371 A N 2.691 125.553 122.820 0.071 0.000 2.566 371 A HA 0.254 4.573 4.320 -0.003 0.000 0.297 371 A C -0.668 176.940 177.584 0.040 0.000 1.059 371 A CA -0.824 51.246 52.037 0.056 0.000 0.691 371 A CB 1.118 20.151 19.000 0.056 0.000 1.282 371 A HN 0.689 nan 8.150 nan 0.000 0.401 372 D N 0.187 120.605 120.400 0.030 0.000 2.389 372 D HA 0.285 4.923 4.640 -0.003 0.000 0.206 372 D C 0.078 176.391 176.300 0.022 0.000 1.055 372 D CA 0.380 54.393 54.000 0.022 0.000 0.856 372 D CB 0.465 41.273 40.800 0.013 0.000 0.957 372 D HN 0.314 nan 8.370 nan 0.000 0.509 373 V N 0.713 120.641 119.914 0.024 0.000 2.808 373 V HA 0.388 4.507 4.120 -0.003 0.000 0.308 373 V C -1.617 174.492 176.094 0.026 0.000 1.099 373 V CA -1.053 61.261 62.300 0.024 0.000 0.920 373 V CB 2.620 34.452 31.823 0.014 0.000 1.014 373 V HN 0.094 nan 8.190 nan 0.000 0.425 374 L N 4.419 125.666 121.223 0.039 0.000 2.345 374 L HA 0.880 5.218 4.340 -0.003 0.000 0.274 374 L C 0.215 177.099 176.870 0.023 0.000 0.999 374 L CA -0.341 54.521 54.840 0.035 0.000 0.849 374 L CB 1.180 43.290 42.059 0.085 0.000 1.220 374 L HN 0.786 nan 8.230 nan 0.000 0.422 375 A N 5.543 128.354 122.820 -0.014 0.000 2.310 375 A HA 0.636 4.954 4.320 -0.003 0.000 0.300 375 A C -0.560 176.996 177.584 -0.046 0.000 1.269 375 A CA -0.373 51.642 52.037 -0.036 0.000 0.909 375 A CB 0.083 19.056 19.000 -0.045 0.000 1.144 375 A HN 0.524 nan 8.150 nan 0.000 0.540 376 V N 2.356 122.247 119.914 -0.040 0.000 2.483 376 V HA 0.642 4.761 4.120 -0.003 0.000 0.295 376 V C 0.472 176.525 176.094 -0.068 0.000 1.035 376 V CA -0.318 61.972 62.300 -0.017 0.000 0.896 376 V CB 1.729 33.612 31.823 0.100 0.000 0.986 376 V HN 0.843 nan 8.190 nan 0.000 0.447 377 S N 2.625 118.279 115.700 -0.077 0.000 2.746 377 S HA 0.541 5.010 4.470 -0.003 0.000 0.273 377 S C 0.567 175.092 174.600 -0.126 0.000 1.172 377 S CA 0.059 58.174 58.200 -0.141 0.000 1.116 377 S CB 0.865 63.990 63.200 -0.125 0.000 1.057 377 S HN 1.036 nan 8.310 nan 0.000 0.483 378 G N 2.067 110.790 108.800 -0.128 0.000 3.434 378 G HA2 0.569 4.527 3.960 -0.003 0.000 0.258 378 G HA3 0.569 4.527 3.960 -0.003 0.000 0.258 378 G C 0.744 175.565 174.900 -0.132 0.000 1.128 378 G CA 0.112 45.156 45.100 -0.093 0.000 0.792 378 G HN 1.371 nan 8.290 nan 0.000 0.539 379 G N -0.656 107.997 108.800 -0.246 0.000 2.331 379 G HA2 0.212 4.170 3.960 -0.003 0.000 0.479 379 G HA3 0.212 4.170 3.960 -0.003 0.000 0.479 379 G C -1.373 173.210 174.900 -0.528 0.000 1.262 379 G CA -1.121 43.868 45.100 -0.185 0.000 1.029 379 G HN 0.331 nan 8.290 nan 0.000 0.487 380 F N 0.551 120.566 119.950 0.108 0.000 2.569 380 F HA 0.570 5.095 4.527 -0.003 0.000 0.312 380 F C -0.204 175.681 175.800 0.143 0.000 1.109 380 F CA -0.988 57.082 58.000 0.117 0.000 0.919 380 F CB 2.636 41.674 39.000 0.064 0.000 1.211 380 F HN 0.300 nan 8.300 nan 0.000 0.446 381 N N 3.581 122.483 118.700 0.337 0.000 2.511 381 N HA 0.340 5.079 4.740 -0.003 0.000 0.249 381 N C -2.867 172.792 175.510 0.248 0.000 0.971 381 N CA -1.696 51.541 53.050 0.312 0.000 0.938 381 N CB 1.641 40.350 38.487 0.370 0.000 1.131 381 N HN 0.105 nan 8.380 nan 0.000 0.505 382 P HA -0.050 nan 4.420 nan 0.000 0.265 382 P C -0.007 177.346 177.300 0.088 0.000 1.187 382 P CA 0.009 63.155 63.100 0.077 0.000 0.766 382 P CB 0.731 32.451 31.700 0.034 0.000 0.820 383 V N 4.554 124.462 119.914 -0.010 0.000 2.229 383 V HA -0.021 4.097 4.120 -0.003 0.000 0.245 383 V C 1.641 177.770 176.094 0.059 0.000 1.243 383 V CA 0.254 62.572 62.300 0.031 0.000 1.176 383 V CB -0.370 31.300 31.823 -0.255 0.000 1.323 383 V HN 0.473 nan 8.190 nan 0.000 0.499 384 V N -0.037 119.916 119.914 0.065 0.000 3.573 384 V HA -0.029 4.089 4.120 -0.003 0.000 0.270 384 V C 1.980 177.902 176.094 -0.287 0.000 1.221 384 V CA 0.735 62.950 62.300 -0.141 0.000 1.163 384 V CB -1.293 30.393 31.823 -0.229 0.000 0.847 384 V HN 0.736 nan 8.190 nan 0.000 0.468 385 H N 1.697 120.520 119.070 -0.411 0.000 2.267 385 H HA -0.196 4.358 4.556 -0.003 0.000 0.291 385 H C 2.056 177.272 175.328 -0.187 0.000 1.094 385 H CA 2.622 58.486 56.048 -0.307 0.000 1.227 385 H CB -0.894 28.988 29.762 0.201 0.000 1.351 385 H HN 0.424 nan 8.280 nan 0.000 0.483 386 L N -0.589 120.624 121.223 -0.017 0.000 2.141 386 L HA -0.175 4.163 4.340 -0.003 0.000 0.209 386 L C 2.639 179.465 176.870 -0.073 0.000 1.094 386 L CA 1.462 56.261 54.840 -0.067 0.000 0.763 386 L CB -0.577 41.413 42.059 -0.116 0.000 0.908 386 L HN 0.496 nan 8.230 nan 0.000 0.437 387 H N -0.000 118.976 119.070 -0.157 0.000 2.326 387 H HA -0.116 4.438 4.556 -0.003 0.000 0.301 387 H C 2.175 177.417 175.328 -0.144 0.000 1.081 387 H CA 1.796 57.759 56.048 -0.141 0.000 1.334 387 H CB 0.391 30.068 29.762 -0.141 0.000 1.385 387 H HN 0.229 nan 8.280 nan 0.000 0.504 388 S N 0.712 116.274 115.700 -0.231 0.000 2.428 388 S HA -0.089 4.379 4.470 -0.003 0.000 0.230 388 S C 2.066 176.600 174.600 -0.109 0.000 1.014 388 S CA 0.606 58.672 58.200 -0.223 0.000 0.957 388 S CB -0.082 62.930 63.200 -0.312 0.000 0.784 388 S HN 0.512 nan 8.310 nan 0.000 0.499 389 Q N 0.479 120.228 119.800 -0.086 0.000 2.234 389 Q HA 0.007 4.345 4.340 -0.003 0.000 0.206 389 Q C 1.208 177.138 176.000 -0.117 0.000 0.980 389 Q CA 0.773 56.538 55.803 -0.064 0.000 0.869 389 Q CB -0.001 28.674 28.738 -0.104 0.000 0.912 389 Q HN 0.192 nan 8.270 nan 0.000 0.436 390 R N 0.589 120.993 120.500 -0.160 0.000 2.449 390 R HA 0.048 4.386 4.340 -0.003 0.000 0.262 390 R C -0.171 176.036 176.300 -0.154 0.000 1.006 390 R CA 0.105 56.117 56.100 -0.147 0.000 1.104 390 R CB 0.285 30.492 30.300 -0.154 0.000 1.206 390 R HN 0.229 nan 8.270 nan 0.000 0.538 391 Q N -1.638 118.077 119.800 -0.142 0.000 2.494 391 Q HA -0.144 4.195 4.340 -0.003 0.000 0.266 391 Q C 0.323 176.208 176.000 -0.192 0.000 1.053 391 Q CA 1.140 56.872 55.803 -0.118 0.000 1.029 391 Q CB -2.057 26.640 28.738 -0.068 0.000 1.423 391 Q HN 0.522 nan 8.270 nan 0.000 0.516 392 G N 0.444 108.999 108.800 -0.409 0.000 2.442 392 G HA2 0.349 4.307 3.960 -0.003 0.000 0.249 392 G HA3 0.349 4.307 3.960 -0.003 0.000 0.249 392 G C -0.110 174.657 174.900 -0.221 0.000 1.263 392 G CA -0.564 44.142 45.100 -0.656 0.000 0.846 392 G HN 0.087 nan 8.290 nan 0.000 0.555 393 K N 0.452 120.875 120.400 0.038 0.000 2.126 393 K HA 0.520 4.838 4.320 -0.003 0.000 0.257 393 K C -0.151 176.594 176.600 0.241 0.000 1.007 393 K CA -0.303 56.059 56.287 0.125 0.000 0.928 393 K CB 1.245 33.799 32.500 0.090 0.000 1.013 393 K HN 0.280 nan 8.250 nan 0.000 0.473 394 L N 1.444 122.780 121.223 0.189 0.000 2.354 394 L HA 0.431 4.769 4.340 -0.003 0.000 0.269 394 L C -0.392 176.630 176.870 0.253 0.000 1.005 394 L CA -1.177 53.795 54.840 0.220 0.000 0.819 394 L CB 1.737 43.947 42.059 0.251 0.000 1.311 394 L HN 0.553 nan 8.230 nan 0.000 0.423 395 N N 0.281 119.124 118.700 0.239 0.000 2.335 395 N HA 0.319 5.057 4.740 -0.003 0.000 0.304 395 N C -1.560 174.110 175.510 0.267 0.000 1.135 395 N CA -0.498 52.684 53.050 0.220 0.000 0.817 395 N CB 2.650 41.200 38.487 0.104 0.000 1.294 395 N HN 0.585 nan 8.380 nan 0.000 0.497 396 W N 2.128 123.444 121.300 0.027 0.000 2.361 396 W HA 0.192 4.851 4.660 -0.003 0.000 0.309 396 W C -0.765 175.698 176.519 -0.093 0.000 1.122 396 W CA -0.287 56.969 57.345 -0.149 0.000 1.208 396 W CB 0.776 30.113 29.460 -0.205 0.000 1.246 396 W HN 0.407 nan 8.180 nan 0.000 0.490 397 D N 4.596 124.545 120.400 -0.751 0.000 2.359 397 D HA 0.011 4.649 4.640 -0.003 0.000 0.230 397 D C 1.286 177.113 176.300 -0.788 0.000 1.118 397 D CA 0.025 53.685 54.000 -0.567 0.000 0.844 397 D CB 1.389 41.934 40.800 -0.425 0.000 1.059 397 D HN 0.466 nan 8.370 nan 0.000 0.493 398 T N 0.120 114.405 114.554 -0.448 0.000 3.160 398 T HA -0.079 4.270 4.350 -0.003 0.000 0.257 398 T C 1.625 175.961 174.700 -0.607 0.000 1.147 398 T CA 0.534 62.407 62.100 -0.380 0.000 1.064 398 T CB 0.252 69.108 68.868 -0.019 0.000 0.949 398 T HN 0.198 nan 8.240 nan 0.000 0.526 399 S N 1.672 117.095 115.700 -0.463 0.000 2.371 399 S HA 0.114 4.582 4.470 -0.003 0.000 0.221 399 S C 1.827 176.191 174.600 -0.394 0.000 1.036 399 S CA 0.638 58.630 58.200 -0.346 0.000 0.965 399 S CB -0.345 62.734 63.200 -0.201 0.000 0.845 399 S HN 0.757 nan 8.310 nan 0.000 0.475 400 I N -2.886 117.450 120.570 -0.390 0.000 4.057 400 I HA 0.386 4.555 4.170 -0.003 0.000 0.334 400 I C -0.537 175.477 176.117 -0.173 0.000 1.308 400 I CA -0.192 60.989 61.300 -0.198 0.000 1.125 400 I CB -0.326 37.614 38.000 -0.099 0.000 1.034 400 I HN 0.165 nan 8.210 nan 0.000 0.401 401 H N 1.710 120.604 119.070 -0.292 0.000 2.794 401 H HA -0.032 4.522 4.556 -0.003 0.000 0.334 401 H C -0.029 174.932 175.328 -0.611 0.000 1.154 401 H CA 0.645 56.475 56.048 -0.363 0.000 1.129 401 H CB -1.383 28.498 29.762 0.199 0.000 1.600 401 H HN 0.756 nan 8.280 nan 0.000 0.410 402 A N 0.759 122.863 122.820 -1.192 0.000 2.601 402 A HA 0.633 4.951 4.320 -0.003 0.000 0.291 402 A C -0.917 176.242 177.584 -0.709 0.000 1.075 402 A CA -0.879 50.755 52.037 -0.671 0.000 0.671 402 A CB 1.095 20.032 19.000 -0.104 0.000 1.277 402 A HN 0.064 nan 8.150 nan 0.000 0.417 403 F N 0.736 120.698 119.950 0.020 0.000 2.427 403 F HA 0.484 5.009 4.527 -0.003 0.000 0.352 403 F C 0.801 176.609 175.800 0.014 0.000 1.100 403 F CA 0.248 58.323 58.000 0.125 0.000 1.191 403 F CB 1.630 40.788 39.000 0.263 0.000 1.128 403 F HN 0.545 nan 8.300 nan 0.000 0.533 404 V N 1.392 121.391 119.914 0.141 0.000 3.001 404 V HA 0.712 4.831 4.120 -0.003 0.000 0.314 404 V C -2.766 173.326 176.094 -0.004 0.000 1.099 404 V CA -2.925 59.386 62.300 0.018 0.000 0.989 404 V CB 1.889 33.676 31.823 -0.060 0.000 1.040 404 V HN 0.472 nan 8.190 nan 0.000 0.434 405 P HA 0.354 nan 4.420 nan 0.000 0.275 405 P C 0.007 177.219 177.300 -0.147 0.000 1.227 405 P CA 0.266 63.177 63.100 -0.315 0.000 0.781 405 P CB 1.531 32.717 31.700 -0.857 0.000 0.906 406 A N 3.584 126.397 122.820 -0.013 0.000 3.754 406 A HA 0.189 4.508 4.320 -0.003 0.000 0.165 406 A C 0.256 177.856 177.584 0.027 0.000 1.775 406 A CA 0.112 52.169 52.037 0.034 0.000 1.457 406 A CB -0.954 18.099 19.000 0.088 0.000 1.597 406 A HN 0.459 nan 8.150 nan 0.000 0.658 407 D N 0.766 121.205 120.400 0.065 0.000 2.424 407 D HA 0.439 5.077 4.640 -0.003 0.000 0.244 407 D C 0.349 176.720 176.300 0.119 0.000 1.134 407 D CA 0.819 54.851 54.000 0.053 0.000 0.881 407 D CB 0.901 41.722 40.800 0.035 0.000 1.191 407 D HN 0.612 nan 8.370 nan 0.000 0.445 408 A N 2.291 125.144 122.820 0.055 0.000 2.483 408 A HA 0.213 4.532 4.320 -0.003 0.000 0.238 408 A C 0.510 178.121 177.584 0.044 0.000 1.070 408 A CA -0.468 51.615 52.037 0.076 0.000 0.770 408 A CB 0.387 19.360 19.000 -0.044 0.000 1.008 408 A HN 0.402 nan 8.150 nan 0.000 0.497 409 V N 1.400 121.337 119.914 0.038 0.000 3.096 409 V HA 0.300 4.419 4.120 -0.003 0.000 0.306 409 V C 1.326 177.388 176.094 -0.053 0.000 1.088 409 V CA 0.196 62.470 62.300 -0.043 0.000 1.129 409 V CB 0.719 32.490 31.823 -0.086 0.000 1.014 409 V HN 1.212 nan 8.190 nan 0.000 0.486 410 A N 3.971 126.762 122.820 -0.048 0.000 2.567 410 A HA 0.155 4.473 4.320 -0.003 0.000 0.240 410 A C 1.040 178.595 177.584 -0.048 0.000 1.053 410 A CA 0.251 52.260 52.037 -0.046 0.000 0.755 410 A CB -0.576 18.409 19.000 -0.025 0.000 0.978 410 A HN 1.124 nan 8.150 nan 0.000 0.507 411 N N 0.247 118.906 118.700 -0.068 0.000 2.747 411 N HA -0.145 4.593 4.740 -0.003 0.000 0.249 411 N C -0.415 175.068 175.510 -0.046 0.000 1.107 411 N CA 1.697 54.727 53.050 -0.034 0.000 0.707 411 N CB -1.133 37.371 38.487 0.027 0.000 1.054 411 N HN 0.883 nan 8.380 nan 0.000 0.555 412 Q N -0.482 119.206 119.800 -0.187 0.000 2.451 412 Q HA 0.551 4.889 4.340 -0.003 0.000 0.281 412 Q C -0.989 174.777 176.000 -0.390 0.000 1.099 412 Q CA -0.586 55.147 55.803 -0.116 0.000 0.806 412 Q CB 1.915 30.633 28.738 -0.033 0.000 1.419 412 Q HN 0.314 nan 8.270 nan 0.000 0.427 413 H N -0.207 118.860 119.070 -0.004 0.000 2.821 413 H HA 0.600 5.155 4.556 -0.003 0.000 0.373 413 H C -1.088 174.221 175.328 -0.032 0.000 1.165 413 H CA -0.574 55.465 56.048 -0.015 0.000 1.154 413 H CB 1.446 31.197 29.762 -0.017 0.000 1.765 413 H HN 0.300 nan 8.280 nan 0.000 0.549 414 L N 1.427 122.682 121.223 0.054 0.000 2.365 414 L HA 0.888 5.227 4.340 -0.003 0.000 0.273 414 L C -0.377 176.482 176.870 -0.018 0.000 1.000 414 L CA -0.841 53.988 54.840 -0.017 0.000 0.819 414 L CB 1.786 43.795 42.059 -0.083 0.000 1.284 414 L HN 0.760 nan 8.230 nan 0.000 0.418 415 A N 1.673 124.470 122.820 -0.038 0.000 2.587 415 A HA 0.941 5.259 4.320 -0.003 0.000 0.293 415 A C -0.072 177.475 177.584 -0.061 0.000 1.087 415 A CA -0.045 51.967 52.037 -0.043 0.000 0.692 415 A CB 1.508 20.489 19.000 -0.031 0.000 1.291 415 A HN 1.110 nan 8.150 nan 0.000 0.407 416 G N -0.464 108.296 108.800 -0.066 0.000 2.642 416 G HA2 0.263 4.221 3.960 -0.003 0.000 0.231 416 G HA3 0.263 4.221 3.960 -0.003 0.000 0.231 416 G C 1.160 176.007 174.900 -0.089 0.000 1.338 416 G CA 0.836 45.889 45.100 -0.078 0.000 0.883 416 G HN 2.305 nan 8.290 nan 0.000 0.570 417 A N -1.111 121.649 122.820 -0.099 0.000 2.084 417 A HA 0.048 4.366 4.320 -0.003 0.000 0.221 417 A C 2.559 180.091 177.584 -0.086 0.000 1.161 417 A CA 2.783 54.756 52.037 -0.107 0.000 0.653 417 A CB -0.335 18.590 19.000 -0.125 0.000 0.802 417 A HN 1.973 nan 8.150 nan 0.000 0.457 418 L N 0.528 121.699 121.223 -0.087 0.000 2.127 418 L HA -0.128 4.210 4.340 -0.003 0.000 0.211 418 L C 2.476 179.288 176.870 -0.096 0.000 1.089 418 L CA 2.825 57.612 54.840 -0.089 0.000 0.757 418 L CB -0.890 41.108 42.059 -0.103 0.000 0.899 418 L HN 0.534 nan 8.230 nan 0.000 0.434 419 T N -4.259 110.238 114.554 -0.095 0.000 3.088 419 T HA 0.333 4.682 4.350 -0.003 0.000 0.259 419 T C 1.498 176.143 174.700 -0.091 0.000 1.122 419 T CA 0.503 62.544 62.100 -0.098 0.000 1.095 419 T CB -0.022 68.795 68.868 -0.086 0.000 0.930 419 T HN 0.663 nan 8.240 nan 0.000 0.508 420 G N 0.938 109.686 108.800 -0.087 0.000 2.218 420 G HA2 -0.144 3.815 3.960 -0.003 0.000 0.216 420 G HA3 -0.144 3.815 3.960 -0.003 0.000 0.216 420 G C -0.095 174.747 174.900 -0.096 0.000 0.994 420 G CA -0.211 44.835 45.100 -0.091 0.000 0.637 420 G HN 0.578 nan 8.290 nan 0.000 0.505 421 L N 1.729 122.895 121.223 -0.096 0.000 2.278 421 L HA 0.482 4.821 4.340 -0.003 0.000 0.287 421 L C 1.363 178.162 176.870 -0.118 0.000 1.072 421 L CA -0.501 54.281 54.840 -0.098 0.000 0.819 421 L CB 1.023 43.030 42.059 -0.087 0.000 1.176 421 L HN 0.084 nan 8.230 nan 0.000 0.435 422 L N 2.494 123.635 121.223 -0.136 0.000 2.741 422 L HA 0.162 4.500 4.340 -0.003 0.000 0.237 422 L C 0.293 177.056 176.870 -0.178 0.000 1.178 422 L CA -0.153 54.573 54.840 -0.190 0.000 0.973 422 L CB -0.438 41.469 42.059 -0.255 0.000 1.255 422 L HN 0.659 nan 8.230 nan 0.000 0.498 423 D N -1.997 118.321 120.400 -0.136 0.000 2.228 423 D HA 0.140 4.779 4.640 -0.003 0.000 0.247 423 D C 0.510 176.735 176.300 -0.125 0.000 0.995 423 D CA -0.457 53.469 54.000 -0.123 0.000 0.903 423 D CB 1.792 42.532 40.800 -0.100 0.000 1.205 423 D HN -0.215 nan 8.370 nan 0.000 0.459 424 T N 0.925 115.402 114.554 -0.129 0.000 2.788 424 T HA -0.085 4.264 4.350 -0.003 0.000 0.268 424 T C 1.893 176.502 174.700 -0.152 0.000 1.044 424 T CA 1.673 63.685 62.100 -0.145 0.000 1.139 424 T CB -0.259 68.514 68.868 -0.158 0.000 0.867 424 T HN 0.650 nan 8.240 nan 0.000 0.454 425 A N 1.419 124.159 122.820 -0.133 0.000 1.902 425 A HA -0.100 4.218 4.320 -0.003 0.000 0.217 425 A C 2.602 180.121 177.584 -0.108 0.000 1.181 425 A CA 1.909 53.871 52.037 -0.125 0.000 0.623 425 A CB -0.803 18.136 19.000 -0.102 0.000 0.818 425 A HN 0.446 nan 8.150 nan 0.000 0.443 426 S N -0.308 115.333 115.700 -0.098 0.000 2.383 426 S HA 0.056 4.524 4.470 -0.003 0.000 0.227 426 S C 2.280 176.829 174.600 -0.086 0.000 1.026 426 S CA 0.963 59.112 58.200 -0.085 0.000 0.981 426 S CB -0.385 62.766 63.200 -0.083 0.000 0.818 426 S HN 0.783 nan 8.310 nan 0.000 0.472 427 A N 1.749 124.509 122.820 -0.100 0.000 1.877 427 A HA -0.023 4.296 4.320 -0.003 0.000 0.216 427 A C 2.095 179.628 177.584 -0.084 0.000 1.186 427 A CA 1.216 53.198 52.037 -0.093 0.000 0.620 427 A CB -0.799 18.137 19.000 -0.105 0.000 0.822 427 A HN 0.446 nan 8.150 nan 0.000 0.443 428 L N -0.686 120.469 121.223 -0.113 0.000 2.083 428 L HA -0.153 4.185 4.340 -0.003 0.000 0.209 428 L C 2.918 179.750 176.870 -0.063 0.000 1.083 428 L CA 1.509 56.284 54.840 -0.108 0.000 0.752 428 L CB -0.444 41.496 42.059 -0.197 0.000 0.899 428 L HN 0.510 nan 8.230 nan 0.000 0.433 429 S N -0.491 115.168 115.700 -0.068 0.000 2.355 429 S HA -0.173 4.295 4.470 -0.003 0.000 0.222 429 S C 2.149 176.727 174.600 -0.037 0.000 1.031 429 S CA 1.877 60.048 58.200 -0.048 0.000 0.993 429 S CB -0.313 62.855 63.200 -0.053 0.000 0.859 429 S HN 0.613 nan 8.310 nan 0.000 0.453 430 T N -1.095 113.434 114.554 -0.042 0.000 2.821 430 T HA 0.103 4.451 4.350 -0.003 0.000 0.267 430 T C 1.987 176.670 174.700 -0.028 0.000 1.046 430 T CA 1.316 63.396 62.100 -0.033 0.000 1.139 430 T CB -1.269 67.575 68.868 -0.040 0.000 0.871 430 T HN 0.400 nan 8.240 nan 0.000 0.454 431 G N 1.621 110.403 108.800 -0.031 0.000 2.459 431 G HA2 0.001 3.960 3.960 -0.003 0.000 0.217 431 G HA3 0.001 3.960 3.960 -0.003 0.000 0.217 431 G C 1.949 176.837 174.900 -0.019 0.000 1.183 431 G CA 1.002 46.089 45.100 -0.023 0.000 0.776 431 G HN 0.729 nan 8.290 nan 0.000 0.552 432 A N 1.172 123.987 122.820 -0.008 0.000 1.883 432 A HA 0.214 4.532 4.320 -0.003 0.000 0.217 432 A C 2.844 180.415 177.584 -0.021 0.000 1.186 432 A CA 2.512 54.546 52.037 -0.005 0.000 0.624 432 A CB -0.904 18.101 19.000 0.009 0.000 0.822 432 A HN 0.870 nan 8.150 nan 0.000 0.444 433 A N -0.276 122.531 122.820 -0.021 0.000 1.877 433 A HA -0.120 4.199 4.320 -0.003 0.000 0.216 433 A C 2.456 180.018 177.584 -0.036 0.000 1.186 433 A CA 2.673 54.698 52.037 -0.020 0.000 0.620 433 A CB -1.476 17.518 19.000 -0.010 0.000 0.822 433 A HN 0.776 nan 8.150 nan 0.000 0.443 434 T N -2.596 111.934 114.554 -0.041 0.000 2.821 434 T HA 0.031 4.380 4.350 -0.003 0.000 0.267 434 T C 1.901 176.476 174.700 -0.209 0.000 1.046 434 T CA 1.525 63.572 62.100 -0.088 0.000 1.139 434 T CB -0.904 67.953 68.868 -0.019 0.000 0.871 434 T HN 0.421 nan 8.240 nan 0.000 0.454 435 G N 1.350 110.071 108.800 -0.131 0.000 2.418 435 G HA2 0.076 4.035 3.960 -0.003 0.000 0.217 435 G HA3 0.076 4.035 3.960 -0.003 0.000 0.217 435 G C 1.916 176.741 174.900 -0.126 0.000 1.158 435 G CA 0.777 45.797 45.100 -0.134 0.000 0.771 435 G HN 0.725 nan 8.290 nan 0.000 0.545 436 A N 1.086 123.854 122.820 -0.086 0.000 1.930 436 A HA 0.323 4.641 4.320 -0.003 0.000 0.217 436 A C 2.786 180.331 177.584 -0.065 0.000 1.175 436 A CA 2.132 54.136 52.037 -0.054 0.000 0.627 436 A CB -0.693 18.290 19.000 -0.028 0.000 0.815 436 A HN 0.735 nan 8.150 nan 0.000 0.443 437 A N -0.179 122.580 122.820 -0.102 0.000 1.930 437 A HA 0.212 4.530 4.320 -0.003 0.000 0.217 437 A C 2.477 179.956 177.584 -0.174 0.000 1.175 437 A CA 1.924 53.909 52.037 -0.087 0.000 0.627 437 A CB -0.906 18.079 19.000 -0.026 0.000 0.815 437 A HN 0.964 nan 8.150 nan 0.000 0.443 438 A N -0.049 122.511 122.820 -0.433 0.000 1.873 438 A HA 0.199 4.517 4.320 -0.003 0.000 0.215 438 A C 2.527 180.059 177.584 -0.086 0.000 1.186 438 A CA 2.019 53.819 52.037 -0.395 0.000 0.616 438 A CB -1.091 17.639 19.000 -0.450 0.000 0.823 438 A HN 1.021 nan 8.150 nan 0.000 0.442 439 A N -0.396 122.387 122.820 -0.061 0.000 1.883 439 A HA -0.108 4.211 4.320 -0.003 0.000 0.217 439 A C 2.459 180.114 177.584 0.119 0.000 1.186 439 A CA 2.223 54.287 52.037 0.044 0.000 0.624 439 A CB -1.014 17.999 19.000 0.022 0.000 0.822 439 A HN 0.460 nan 8.150 nan 0.000 0.444 440 S N -0.100 115.635 115.700 0.060 0.000 2.359 440 S HA -0.100 4.368 4.470 -0.003 0.000 0.224 440 S C 2.246 176.883 174.600 0.062 0.000 1.035 440 S CA 1.327 59.563 58.200 0.060 0.000 1.018 440 S CB -0.518 62.702 63.200 0.033 0.000 0.876 440 S HN 0.835 nan 8.310 nan 0.000 0.448 441 A N 0.864 123.727 122.820 0.071 0.000 2.067 441 A HA 0.273 4.592 4.320 -0.003 0.000 0.219 441 A C 2.042 179.680 177.584 0.091 0.000 1.158 441 A CA 1.343 53.431 52.037 0.086 0.000 0.661 441 A CB -0.575 18.506 19.000 0.136 0.000 0.801 441 A HN 0.501 nan 8.150 nan 0.000 0.452 442 A N -1.967 120.928 122.820 0.124 0.000 2.251 442 A HA 0.437 4.756 4.320 -0.003 0.000 0.209 442 A C 1.622 179.294 177.584 0.147 0.000 1.187 442 A CA 1.117 53.256 52.037 0.170 0.000 0.823 442 A CB -0.629 18.510 19.000 0.232 0.000 0.846 442 A HN 1.751 nan 8.150 nan 0.000 0.486 443 G N -2.143 106.678 108.800 0.035 0.000 2.163 443 G HA2 -0.195 3.764 3.960 -0.003 0.000 0.213 443 G HA3 -0.195 3.764 3.960 -0.003 0.000 0.213 443 G C -0.136 174.494 174.900 -0.450 0.000 0.991 443 G CA -0.049 44.927 45.100 -0.206 0.000 0.653 443 G HN 0.397 nan 8.290 nan 0.000 0.518 444 F N 2.012 121.961 119.950 -0.001 0.000 2.451 444 F HA 0.440 4.965 4.527 -0.003 0.000 0.367 444 F C 0.635 176.429 175.800 -0.010 0.000 1.100 444 F CA -1.090 56.906 58.000 -0.006 0.000 1.171 444 F CB 1.170 40.165 39.000 -0.008 0.000 1.405 444 F HN 0.076 nan 8.300 nan 0.000 0.482 445 E N 3.340 123.584 120.200 0.073 0.000 2.608 445 E HA -0.044 4.305 4.350 -0.003 0.000 0.259 445 E C -0.539 176.098 176.600 0.062 0.000 0.951 445 E CA 0.694 57.123 56.400 0.049 0.000 0.945 445 E CB 0.704 30.414 29.700 0.016 0.000 0.916 445 E HN 0.428 nan 8.360 nan 0.000 0.477 446 K N 4.206 124.630 120.400 0.041 0.000 2.557 446 K HA 0.376 4.695 4.320 -0.003 0.000 0.257 446 K C -1.485 175.123 176.600 0.013 0.000 0.933 446 K CA -0.422 55.882 56.287 0.028 0.000 0.820 446 K CB 1.070 33.585 32.500 0.024 0.000 1.330 446 K HN 0.406 nan 8.250 nan 0.000 0.432 447 I N 3.554 124.130 120.570 0.009 0.000 2.339 447 I HA 0.472 4.641 4.170 -0.003 0.000 0.290 447 I C 0.150 176.267 176.117 0.001 0.000 0.994 447 I CA -1.212 60.090 61.300 0.004 0.000 1.191 447 I CB 1.851 39.853 38.000 0.004 0.000 1.343 447 I HN 0.789 nan 8.210 nan 0.000 0.458 448 A N 5.744 128.563 122.820 -0.002 0.000 2.540 448 A HA 0.098 4.416 4.320 -0.003 0.000 0.239 448 A C 0.112 177.697 177.584 0.002 0.000 1.061 448 A CA 0.182 52.218 52.037 -0.003 0.000 0.758 448 A CB 0.124 19.120 19.000 -0.007 0.000 0.991 448 A HN 0.800 nan 8.150 nan 0.000 0.502 449 E N 2.406 122.611 120.200 0.007 0.000 2.129 449 E HA 0.482 4.830 4.350 -0.003 0.000 0.268 449 E C -1.410 175.203 176.600 0.022 0.000 0.900 449 E CA -0.576 55.832 56.400 0.014 0.000 0.755 449 E CB 1.233 30.944 29.700 0.019 0.000 1.117 449 E HN 0.410 nan 8.360 nan 0.000 0.410 450 V N 6.651 126.573 119.914 0.012 0.000 2.385 450 V HA 0.271 4.389 4.120 -0.003 0.000 0.269 450 V C -2.080 174.016 176.094 0.003 0.000 1.043 450 V CA -1.738 60.565 62.300 0.005 0.000 0.906 450 V CB 0.800 32.614 31.823 -0.016 0.000 0.995 450 V HN 0.736 nan 8.190 nan 0.000 0.467 451 P HA 0.151 nan 4.420 nan 0.000 0.269 451 P C -0.555 176.678 177.300 -0.113 0.000 1.209 451 P CA -0.110 62.975 63.100 -0.025 0.000 0.776 451 P CB 0.428 32.093 31.700 -0.058 0.000 0.876 452 Q N 1.088 120.814 119.800 -0.122 0.000 2.274 452 Q HA 0.749 5.087 4.340 -0.003 0.000 0.260 452 Q C -0.616 175.281 176.000 -0.171 0.000 0.974 452 Q CA -0.569 55.161 55.803 -0.122 0.000 0.876 452 Q CB 2.463 31.156 28.738 -0.074 0.000 1.297 452 Q HN 0.475 nan 8.270 nan 0.000 0.446 453 A N 2.156 124.886 122.820 -0.149 0.000 2.549 453 A HA 0.598 4.917 4.320 -0.003 0.000 0.297 453 A C -0.737 176.783 177.584 -0.108 0.000 1.061 453 A CA -0.733 51.213 52.037 -0.152 0.000 0.690 453 A CB 1.042 19.928 19.000 -0.189 0.000 1.287 453 A HN 0.658 nan 8.150 nan 0.000 0.402 454 L N 1.341 122.508 121.223 -0.093 0.000 2.499 454 L HA 0.311 4.649 4.340 -0.003 0.000 0.281 454 L C 1.161 177.987 176.870 -0.072 0.000 1.234 454 L CA -0.111 54.685 54.840 -0.072 0.000 0.839 454 L CB 0.533 42.555 42.059 -0.062 0.000 1.104 454 L HN 0.873 nan 8.230 nan 0.000 0.500 455 A N 3.052 125.835 122.820 -0.061 0.000 2.440 455 A HA 0.460 4.779 4.320 -0.003 0.000 0.251 455 A C -0.208 177.342 177.584 -0.055 0.000 1.089 455 A CA -0.286 51.716 52.037 -0.059 0.000 0.779 455 A CB 0.449 19.419 19.000 -0.050 0.000 1.022 455 A HN 0.443 nan 8.150 nan 0.000 0.492 456 V N 5.770 125.649 119.914 -0.058 0.000 2.315 456 V HA 0.208 4.327 4.120 -0.003 0.000 0.265 456 V C -2.258 173.806 176.094 -0.050 0.000 1.019 456 V CA -1.105 61.164 62.300 -0.052 0.000 0.824 456 V CB 0.610 32.399 31.823 -0.056 0.000 1.072 456 V HN 0.879 nan 8.190 nan 0.000 0.448 457 P HA 0.186 nan 4.420 nan 0.000 0.264 457 P C 0.192 177.470 177.300 -0.037 0.000 1.179 457 P CA 0.354 63.430 63.100 -0.041 0.000 0.763 457 P CB 0.565 32.242 31.700 -0.037 0.000 0.806 458 A N 2.553 125.350 122.820 -0.038 0.000 2.425 458 A HA 0.569 4.887 4.320 -0.003 0.000 0.242 458 A C 0.752 178.324 177.584 -0.019 0.000 1.077 458 A CA 0.546 52.564 52.037 -0.032 0.000 0.781 458 A CB -0.021 18.954 19.000 -0.041 0.000 1.020 458 A HN 0.633 nan 8.150 nan 0.000 0.494 459 G N -0.480 108.317 108.800 -0.003 0.000 3.013 459 G HA2 0.527 4.486 3.960 -0.003 0.000 0.278 459 G HA3 0.527 4.486 3.960 -0.003 0.000 0.278 459 G C -0.496 174.416 174.900 0.019 0.000 1.353 459 G CA -0.464 44.639 45.100 0.005 0.000 1.043 459 G HN 0.904 nan 8.290 nan 0.000 0.523 460 E N -0.828 119.388 120.200 0.027 0.000 2.404 460 E HA 0.340 4.689 4.350 -0.003 0.000 0.261 460 E C -0.808 175.833 176.600 0.069 0.000 1.074 460 E CA 0.190 56.617 56.400 0.045 0.000 0.917 460 E CB 0.544 30.269 29.700 0.041 0.000 0.965 460 E HN 0.184 nan 8.360 nan 0.000 0.433 461 T N 4.490 119.107 114.554 0.105 0.000 2.847 461 T HA 0.250 4.598 4.350 -0.003 0.000 0.291 461 T C -0.444 174.331 174.700 0.125 0.000 0.998 461 T CA -0.579 61.598 62.100 0.128 0.000 0.967 461 T CB 0.886 69.861 68.868 0.178 0.000 0.954 461 T HN 0.414 nan 8.240 nan 0.000 0.441 462 R N 4.776 125.274 120.500 -0.004 0.000 2.265 462 R HA 0.334 4.672 4.340 -0.003 0.000 0.314 462 R C -2.462 173.646 176.300 -0.319 0.000 1.053 462 R CA -1.881 54.144 56.100 -0.124 0.000 0.931 462 R CB 0.635 30.878 30.300 -0.095 0.000 1.024 462 R HN 0.292 nan 8.270 nan 0.000 0.457 463 P HA 0.067 nan 4.420 nan 0.000 0.282 463 P C -0.975 175.866 177.300 -0.765 0.000 1.274 463 P CA -0.172 62.408 63.100 -0.866 0.000 0.770 463 P CB 1.291 32.489 31.700 -0.837 0.000 0.867 464 V N 5.050 124.458 119.914 -0.844 0.000 2.380 464 V HA 0.172 4.291 4.120 -0.003 0.000 0.272 464 V C 0.453 176.309 176.094 -0.397 0.000 1.011 464 V CA -0.238 61.793 62.300 -0.448 0.000 0.826 464 V CB 0.526 32.221 31.823 -0.214 0.000 1.040 464 V HN 0.607 nan 8.190 nan 0.000 0.441 465 W N 3.411 124.756 121.300 0.074 0.000 2.737 465 W HA 0.383 5.042 4.660 -0.003 0.000 0.262 465 W C 0.294 176.881 176.519 0.113 0.000 1.282 465 W CA -0.181 57.219 57.345 0.092 0.000 1.386 465 W CB 0.625 30.122 29.460 0.062 0.000 1.099 465 W HN 0.444 nan 8.180 nan 0.000 0.621 466 L N 0.223 121.620 121.223 0.290 0.000 2.676 466 L HA 0.392 4.731 4.340 -0.003 0.000 0.262 466 L C -0.911 176.119 176.870 0.266 0.000 0.965 466 L CA -0.939 54.068 54.840 0.277 0.000 0.920 466 L CB 0.771 42.950 42.059 0.199 0.000 1.260 466 L HN -0.301 nan 8.230 nan 0.000 0.422 467 V N 7.095 127.211 119.914 0.337 0.000 2.508 467 V HA 0.368 4.487 4.120 -0.003 0.000 0.281 467 V C -1.783 174.578 176.094 0.445 0.000 1.041 467 V CA -1.124 61.361 62.300 0.307 0.000 1.016 467 V CB 0.817 32.805 31.823 0.275 0.000 0.984 467 V HN 0.670 nan 8.190 nan 0.000 0.478 468 P HA 0.068 nan 4.420 nan 0.000 0.270 468 P C -0.186 177.320 177.300 0.343 0.000 1.223 468 P CA 0.102 63.429 63.100 0.379 0.000 0.785 468 P CB 0.473 32.306 31.700 0.220 0.000 0.923 469 S N 1.153 116.963 115.700 0.184 0.000 2.565 469 S HA 0.169 4.638 4.470 -0.003 0.000 0.274 469 S C 1.215 175.813 174.600 -0.004 0.000 1.309 469 S CA -0.495 57.703 58.200 -0.004 0.000 1.043 469 S CB -0.309 62.641 63.200 -0.417 0.000 0.939 469 S HN 0.307 nan 8.310 nan 0.000 0.504 470 L N 3.896 125.123 121.223 0.006 0.000 2.551 470 L HA 0.032 4.371 4.340 -0.003 0.000 0.228 470 L C 1.947 178.768 176.870 -0.080 0.000 1.153 470 L CA 0.507 55.339 54.840 -0.013 0.000 0.851 470 L CB -0.193 41.872 42.059 0.009 0.000 0.959 470 L HN 0.603 nan 8.230 nan 0.000 0.451 471 S N -0.976 114.621 115.700 -0.172 0.000 2.524 471 S HA 0.413 4.882 4.470 -0.003 0.000 0.215 471 S C 0.660 174.866 174.600 -0.657 0.000 0.986 471 S CA 0.463 58.464 58.200 -0.332 0.000 0.911 471 S CB 0.804 63.834 63.200 -0.282 0.000 0.805 471 S HN 0.557 nan 8.310 nan 0.000 0.501 472 G N 0.607 109.097 108.800 -0.516 0.000 2.356 472 G HA2 0.163 4.122 3.960 -0.003 0.000 0.300 472 G HA3 0.163 4.122 3.960 -0.003 0.000 0.300 472 G C -1.579 173.327 174.900 0.009 0.000 1.331 472 G CA -0.542 44.347 45.100 -0.352 0.000 0.905 472 G HN 0.038 nan 8.290 nan 0.000 0.587 473 D N -0.495 120.018 120.400 0.187 0.000 2.398 473 D HA 0.132 4.771 4.640 -0.003 0.000 0.210 473 D C 0.314 176.825 176.300 0.353 0.000 1.094 473 D CA 0.166 54.353 54.000 0.310 0.000 0.839 473 D CB 0.854 41.743 40.800 0.147 0.000 0.963 473 D HN 0.439 nan 8.370 nan 0.000 0.506 474 D N 0.092 120.729 120.400 0.395 0.000 2.372 474 D HA 0.221 4.860 4.640 -0.003 0.000 0.243 474 D C 1.476 177.923 176.300 0.246 0.000 1.121 474 D CA -0.119 54.025 54.000 0.241 0.000 0.898 474 D CB 1.352 42.248 40.800 0.159 0.000 1.202 474 D HN -0.063 nan 8.370 nan 0.000 0.428 475 A N 2.890 125.768 122.820 0.096 0.000 1.927 475 A HA -0.217 4.102 4.320 -0.003 0.000 0.220 475 A C 2.271 179.874 177.584 0.031 0.000 1.185 475 A CA 1.787 53.869 52.037 0.074 0.000 0.639 475 A CB -1.027 17.958 19.000 -0.025 0.000 0.820 475 A HN 0.547 nan 8.150 nan 0.000 0.451 476 V N 0.098 119.931 119.914 -0.135 0.000 2.546 476 V HA -0.242 3.877 4.120 -0.003 0.000 0.254 476 V C 1.994 177.908 176.094 -0.301 0.000 1.076 476 V CA 2.331 64.474 62.300 -0.261 0.000 1.087 476 V CB -0.986 30.622 31.823 -0.359 0.000 0.674 476 V HN 0.743 nan 8.190 nan 0.000 0.470 477 H N -2.012 117.020 119.070 -0.063 0.000 2.547 477 H HA 0.059 4.614 4.556 -0.003 0.000 0.266 477 H C 0.599 175.588 175.328 -0.565 0.000 0.988 477 H CA 0.653 56.549 56.048 -0.254 0.000 1.147 477 H CB -0.069 29.507 29.762 -0.311 0.000 1.365 477 H HN 0.615 nan 8.280 nan 0.000 0.589 478 Y N -0.062 120.176 120.300 -0.103 0.000 2.696 478 Y HA 0.200 4.749 4.550 -0.003 0.000 0.260 478 Y C 1.467 177.232 175.900 -0.225 0.000 1.165 478 Y CA -0.335 57.622 58.100 -0.238 0.000 1.189 478 Y CB 0.519 38.758 38.460 -0.368 0.000 1.180 478 Y HN -0.070 nan 8.280 nan 0.000 0.538 479 K N -0.335 119.890 120.400 -0.291 0.000 2.486 479 K HA 0.061 4.380 4.320 -0.003 0.000 0.194 479 K C -0.208 175.805 176.600 -0.978 0.000 1.033 479 K CA 0.904 56.812 56.287 -0.632 0.000 1.004 479 K CB 0.077 32.084 32.500 -0.822 0.000 0.798 479 K HN 0.241 nan 8.250 nan 0.000 0.495 480 F N -0.891 118.981 119.950 -0.129 0.000 2.735 480 F HA 0.180 4.706 4.527 -0.003 0.000 0.308 480 F C -0.253 175.397 175.800 -0.250 0.000 1.112 480 F CA -0.728 57.121 58.000 -0.253 0.000 1.235 480 F CB 0.156 39.166 39.000 0.017 0.000 1.027 480 F HN -0.094 nan 8.300 nan 0.000 0.528 481 H N 0.271 119.201 119.070 -0.234 0.000 2.821 481 H HA 0.272 4.827 4.556 -0.003 0.000 0.262 481 H C -0.513 174.694 175.328 -0.202 0.000 1.402 481 H CA -0.852 55.150 56.048 -0.076 0.000 1.293 481 H CB -0.364 29.466 29.762 0.113 0.000 1.533 481 H HN -0.077 nan 8.280 nan 0.000 0.528 482 F N 1.781 121.755 119.950 0.041 0.000 2.495 482 F HA 0.017 4.543 4.527 -0.003 0.000 0.365 482 F C 1.197 177.003 175.800 0.010 0.000 1.090 482 F CA -0.034 57.972 58.000 0.009 0.000 1.235 482 F CB 0.762 39.729 39.000 -0.054 0.000 1.119 482 F HN 0.291 nan 8.300 nan 0.000 0.562 483 V N 0.456 120.476 119.914 0.177 0.000 2.908 483 V HA 0.026 4.145 4.120 -0.003 0.000 0.240 483 V C 0.103 176.268 176.094 0.119 0.000 1.117 483 V CA 0.827 63.208 62.300 0.136 0.000 1.133 483 V CB 0.100 31.985 31.823 0.104 0.000 0.857 483 V HN 0.681 nan 8.190 nan 0.000 0.478 484 D N 0.000 120.478 120.400 0.130 0.000 2.440 484 D HA 0.300 4.938 4.640 -0.003 0.000 0.252 484 D C 0.781 177.127 176.300 0.077 0.000 1.180 484 D CA -0.168 53.881 54.000 0.082 0.000 0.894 484 D CB 1.630 42.478 40.800 0.079 0.000 1.111 484 D HN 0.056 nan 8.370 nan 0.000 0.544 485 L N 2.434 123.631 121.223 -0.044 0.000 1.989 485 L HA -0.202 4.137 4.340 -0.003 0.000 0.211 485 L C 2.577 179.372 176.870 -0.125 0.000 1.071 485 L CA 1.308 56.047 54.840 -0.168 0.000 0.749 485 L CB -0.274 41.556 42.059 -0.382 0.000 0.890 485 L HN 0.477 nan 8.230 nan 0.000 0.431 486 Q N -0.229 119.512 119.800 -0.098 0.000 2.135 486 Q HA -0.181 4.158 4.340 -0.003 0.000 0.204 486 Q C 2.063 178.046 176.000 -0.028 0.000 0.981 486 Q CA 1.287 57.042 55.803 -0.080 0.000 0.856 486 Q CB 0.179 28.880 28.738 -0.062 0.000 0.902 486 Q HN 0.282 nan 8.270 nan 0.000 0.425 487 R N 0.530 121.060 120.500 0.050 0.000 2.313 487 R HA 0.003 4.341 4.340 -0.003 0.000 0.199 487 R C -0.213 176.241 176.300 0.257 0.000 0.958 487 R CA 0.378 56.574 56.100 0.160 0.000 1.047 487 R CB -0.109 30.274 30.300 0.138 0.000 0.955 487 R HN 0.279 nan 8.270 nan 0.000 0.481 488 D N 1.440 121.963 120.400 0.205 0.000 2.772 488 D HA -0.144 4.494 4.640 -0.003 0.000 0.233 488 D C -0.571 175.942 176.300 0.355 0.000 1.143 488 D CA 1.032 55.234 54.000 0.337 0.000 0.700 488 D CB -0.384 40.630 40.800 0.356 0.000 1.076 488 D HN 0.135 nan 8.370 nan 0.000 0.430 489 Q N -0.278 119.685 119.800 0.270 0.000 2.245 489 Q HA 0.609 4.948 4.340 -0.003 0.000 0.256 489 Q C 0.915 176.960 176.000 0.076 0.000 0.942 489 Q CA -0.237 55.647 55.803 0.136 0.000 0.896 489 Q CB 1.970 30.767 28.738 0.098 0.000 1.272 489 Q HN 0.395 nan 8.270 nan 0.000 0.442 490 T N -3.484 111.029 114.554 -0.067 0.000 2.773 490 T HA 0.436 4.784 4.350 -0.003 0.000 0.278 490 T C 1.103 175.767 174.700 -0.060 0.000 1.011 490 T CA -0.662 61.343 62.100 -0.158 0.000 1.014 490 T CB 0.392 69.017 68.868 -0.404 0.000 1.293 490 T HN 0.122 nan 8.240 nan 0.000 0.554 491 V N 1.120 121.021 119.914 -0.021 0.000 2.490 491 V HA -0.061 4.057 4.120 -0.003 0.000 0.250 491 V C 3.125 179.181 176.094 -0.063 0.000 1.061 491 V CA 2.329 64.616 62.300 -0.022 0.000 1.064 491 V CB -1.565 30.252 31.823 -0.010 0.000 0.670 491 V HN 1.029 nan 8.190 nan 0.000 0.461 492 A N -0.236 122.547 122.820 -0.062 0.000 1.933 492 A HA -0.241 4.078 4.320 -0.003 0.000 0.218 492 A C 2.022 179.569 177.584 -0.062 0.000 1.175 492 A CA 1.901 53.896 52.037 -0.071 0.000 0.628 492 A CB -0.482 18.451 19.000 -0.112 0.000 0.814 492 A HN 0.570 nan 8.150 nan 0.000 0.444 493 D N -0.223 120.146 120.400 -0.051 0.000 2.144 493 D HA -0.085 4.553 4.640 -0.003 0.000 0.200 493 D C 2.065 178.378 176.300 0.021 0.000 0.978 493 D CA 1.401 55.403 54.000 0.004 0.000 0.833 493 D CB -0.247 40.559 40.800 0.011 0.000 0.961 493 D HN 0.255 nan 8.370 nan 0.000 0.470 494 V N 1.524 121.430 119.914 -0.014 0.000 2.343 494 V HA -0.206 3.913 4.120 -0.003 0.000 0.247 494 V C 2.679 178.725 176.094 -0.081 0.000 1.051 494 V CA 1.053 63.334 62.300 -0.033 0.000 1.036 494 V CB -0.445 31.354 31.823 -0.039 0.000 0.654 494 V HN 0.170 nan 8.190 nan 0.000 0.451 495 L N -0.388 120.781 121.223 -0.090 0.000 2.083 495 L HA -0.188 4.151 4.340 -0.003 0.000 0.209 495 L C 2.726 179.528 176.870 -0.114 0.000 1.083 495 L CA 1.692 56.466 54.840 -0.111 0.000 0.752 495 L CB -0.556 41.434 42.059 -0.114 0.000 0.899 495 L HN 0.267 nan 8.230 nan 0.000 0.433 496 R N 0.159 120.607 120.500 -0.086 0.000 2.092 496 R HA -0.158 4.181 4.340 -0.003 0.000 0.231 496 R C 2.299 178.437 176.300 -0.270 0.000 1.119 496 R CA 1.338 57.388 56.100 -0.085 0.000 0.970 496 R CB -0.152 30.177 30.300 0.048 0.000 0.864 496 R HN 0.342 nan 8.270 nan 0.000 0.440 497 A N 0.160 122.748 122.820 -0.386 0.000 1.898 497 A HA -0.132 4.187 4.320 -0.003 0.000 0.216 497 A C 2.154 179.471 177.584 -0.445 0.000 1.181 497 A CA 1.884 53.452 52.037 -0.781 0.000 0.620 497 A CB -0.821 17.873 19.000 -0.511 0.000 0.819 497 A HN 0.605 nan 8.150 nan 0.000 0.442 498 T N -2.929 111.472 114.554 -0.256 0.000 2.951 498 T HA 0.077 4.426 4.350 -0.003 0.000 0.268 498 T C 1.763 176.363 174.700 -0.165 0.000 1.073 498 T CA 1.310 63.302 62.100 -0.179 0.000 1.134 498 T CB -0.550 68.240 68.868 -0.130 0.000 0.884 498 T HN 0.379 nan 8.240 nan 0.000 0.479 499 G N 0.748 109.446 108.800 -0.170 0.000 2.534 499 G HA2 0.271 4.229 3.960 -0.003 0.000 0.217 499 G HA3 0.271 4.229 3.960 -0.003 0.000 0.217 499 G C 1.564 176.379 174.900 -0.142 0.000 1.128 499 G CA 0.351 45.372 45.100 -0.132 0.000 0.784 499 G HN 0.703 nan 8.290 nan 0.000 0.542 500 A N -0.567 122.128 122.820 -0.209 0.000 2.251 500 A HA 0.500 4.819 4.320 -0.003 0.000 0.209 500 A C 1.872 179.355 177.584 -0.168 0.000 1.187 500 A CA 1.293 53.212 52.037 -0.196 0.000 0.823 500 A CB -0.194 18.630 19.000 -0.294 0.000 0.846 500 A HN 1.418 nan 8.150 nan 0.000 0.486 501 G N -1.915 106.790 108.800 -0.160 0.000 2.192 501 G HA2 -0.173 3.786 3.960 -0.003 0.000 0.193 501 G HA3 -0.173 3.786 3.960 -0.003 0.000 0.193 501 G C 0.099 174.926 174.900 -0.122 0.000 0.999 501 G CA 0.033 45.059 45.100 -0.122 0.000 0.659 501 G HN 0.313 nan 8.290 nan 0.000 0.503 502 M N 0.415 119.918 119.600 -0.162 0.000 2.249 502 M HA 0.521 5.000 4.480 -0.003 0.000 0.351 502 M C 1.222 177.493 176.300 -0.049 0.000 1.180 502 M CA 0.220 55.459 55.300 -0.102 0.000 1.127 502 M CB 1.450 33.956 32.600 -0.157 0.000 1.546 502 M HN 0.201 nan 8.290 nan 0.000 0.461 503 Q N 0.140 119.952 119.800 0.020 0.000 2.384 503 Q HA 0.153 4.492 4.340 -0.003 0.000 0.264 503 Q C 0.286 176.280 176.000 -0.010 0.000 0.825 503 Q CA -0.102 55.694 55.803 -0.012 0.000 0.984 503 Q CB 1.144 29.872 28.738 -0.018 0.000 1.183 503 Q HN 0.768 nan 8.270 nan 0.000 0.537 504 S N 0.509 116.220 115.700 0.020 0.000 2.562 504 S HA 0.044 4.512 4.470 -0.003 0.000 0.281 504 S C 1.126 175.699 174.600 -0.045 0.000 1.333 504 S CA -0.291 57.876 58.200 -0.054 0.000 1.052 504 S CB 1.436 64.529 63.200 -0.179 0.000 0.884 504 S HN 0.211 nan 8.310 nan 0.000 0.506 505 V N 4.701 124.573 119.914 -0.070 0.000 2.594 505 V HA -0.062 4.056 4.120 -0.003 0.000 0.253 505 V C 2.130 178.189 176.094 -0.057 0.000 1.069 505 V CA 2.026 64.288 62.300 -0.062 0.000 1.082 505 V CB -0.670 31.103 31.823 -0.084 0.000 0.680 505 V HN 0.904 nan 8.190 nan 0.000 0.469 506 E N -0.513 119.629 120.200 -0.097 0.000 2.106 506 E HA -0.204 4.144 4.350 -0.003 0.000 0.192 506 E C 1.961 178.548 176.600 -0.021 0.000 0.984 506 E CA 1.775 58.115 56.400 -0.099 0.000 0.806 506 E CB -0.361 29.237 29.700 -0.171 0.000 0.750 506 E HN 0.830 nan 8.360 nan 0.000 0.458 507 H N -0.090 118.967 119.070 -0.022 0.000 2.363 507 H HA -0.010 4.545 4.556 -0.003 0.000 0.301 507 H C 2.085 177.425 175.328 0.019 0.000 1.074 507 H CA 0.574 56.620 56.048 -0.003 0.000 1.354 507 H CB 0.282 30.028 29.762 -0.026 0.000 1.397 507 H HN 0.044 nan 8.280 nan 0.000 0.516 508 I N 1.398 122.040 120.570 0.121 0.000 2.226 508 I HA -0.259 3.909 4.170 -0.003 0.000 0.245 508 I C 2.362 178.533 176.117 0.091 0.000 1.100 508 I CA 1.350 62.693 61.300 0.071 0.000 1.374 508 I CB -0.935 37.072 38.000 0.012 0.000 1.057 508 I HN 0.285 nan 8.210 nan 0.000 0.413 509 K N 1.544 121.977 120.400 0.055 0.000 2.009 509 K HA -0.178 4.140 4.320 -0.003 0.000 0.210 509 K C 2.313 178.947 176.600 0.057 0.000 1.049 509 K CA 1.582 57.890 56.287 0.035 0.000 0.929 509 K CB -0.074 32.422 32.500 -0.006 0.000 0.714 509 K HN 0.191 nan 8.250 nan 0.000 0.440 510 R N -0.987 119.560 120.500 0.078 0.000 2.115 510 R HA -0.130 4.209 4.340 -0.003 0.000 0.230 510 R C 2.297 178.644 176.300 0.079 0.000 1.111 510 R CA 1.433 57.576 56.100 0.072 0.000 0.976 510 R CB -0.327 30.025 30.300 0.087 0.000 0.870 510 R HN 0.356 nan 8.270 nan 0.000 0.445 511 Y N 1.200 121.498 120.300 -0.002 0.000 2.220 511 Y HA -0.184 4.364 4.550 -0.003 0.000 0.291 511 Y C 2.561 178.442 175.900 -0.032 0.000 1.129 511 Y CA 1.836 59.921 58.100 -0.025 0.000 1.161 511 Y CB 0.040 38.480 38.460 -0.034 0.000 0.997 511 Y HN 0.068 nan 8.280 nan 0.000 0.522 512 T N -3.312 111.342 114.554 0.166 0.000 3.035 512 T HA 0.040 4.388 4.350 -0.003 0.000 0.259 512 T C 1.253 175.960 174.700 0.012 0.000 1.078 512 T CA 0.809 62.956 62.100 0.079 0.000 1.132 512 T CB -0.506 68.426 68.868 0.107 0.000 0.900 512 T HN 0.628 nan 8.240 nan 0.000 0.480 513 S N -0.055 115.657 115.700 0.018 0.000 3.091 513 S HA -0.156 4.313 4.470 -0.003 0.000 0.275 513 S C 0.041 174.662 174.600 0.034 0.000 1.306 513 S CA 0.253 58.462 58.200 0.015 0.000 1.083 513 S CB -2.959 60.243 63.200 0.003 0.000 1.313 513 S HN 0.704 nan 8.310 nan 0.000 0.673 514 I N 2.963 123.557 120.570 0.040 0.000 2.683 514 I HA 0.216 4.384 4.170 -0.003 0.000 0.286 514 I C 1.504 177.636 176.117 0.025 0.000 1.175 514 I CA 1.338 62.664 61.300 0.042 0.000 1.429 514 I CB 0.583 38.609 38.000 0.045 0.000 1.371 514 I HN 1.250 nan 8.210 nan 0.000 0.569 515 S N 2.199 117.916 115.700 0.028 0.000 3.315 515 S HA -0.205 4.264 4.470 -0.003 0.000 0.283 515 S C 0.779 175.384 174.600 0.007 0.000 1.279 515 S CA 0.993 59.202 58.200 0.015 0.000 0.984 515 S CB -2.330 60.865 63.200 -0.008 0.000 1.184 515 S HN 0.939 nan 8.310 nan 0.000 0.653 516 T N -1.721 112.843 114.554 0.016 0.000 3.105 516 T HA 0.731 5.079 4.350 -0.003 0.000 0.253 516 T C 0.889 175.602 174.700 0.020 0.000 1.047 516 T CA 0.537 62.646 62.100 0.015 0.000 0.944 516 T CB 0.460 69.338 68.868 0.018 0.000 1.016 516 T HN 1.419 nan 8.240 nan 0.000 0.544 517 A N 2.553 125.385 122.820 0.020 0.000 2.251 517 A HA 0.445 4.764 4.320 -0.003 0.000 0.278 517 A C 1.448 179.033 177.584 0.001 0.000 1.206 517 A CA -0.067 51.976 52.037 0.011 0.000 0.822 517 A CB -0.158 18.845 19.000 0.004 0.000 1.187 517 A HN 0.580 nan 8.150 nan 0.000 0.504 518 N N -1.135 117.558 118.700 -0.011 0.000 2.573 518 N HA -0.148 4.591 4.740 -0.003 0.000 0.187 518 N C 0.422 175.917 175.510 -0.025 0.000 1.107 518 N CA 1.379 54.419 53.050 -0.018 0.000 0.918 518 N CB -0.053 38.418 38.487 -0.026 0.000 0.966 518 N HN 0.620 nan 8.380 nan 0.000 0.448 519 D N -0.835 119.554 120.400 -0.019 0.000 2.349 519 D HA -0.080 4.558 4.640 -0.003 0.000 0.214 519 D C -0.099 176.203 176.300 0.003 0.000 1.063 519 D CA 0.038 54.024 54.000 -0.023 0.000 0.847 519 D CB -0.318 40.473 40.800 -0.015 0.000 0.933 519 D HN 0.089 nan 8.370 nan 0.000 0.513 520 Q N 0.282 120.090 119.800 0.014 0.000 2.423 520 Q HA -0.177 4.162 4.340 -0.003 0.000 0.332 520 Q C 1.096 177.137 176.000 0.069 0.000 1.355 520 Q CA 1.058 56.883 55.803 0.037 0.000 0.947 520 Q CB -2.392 26.376 28.738 0.051 0.000 1.189 520 Q HN 0.735 nan 8.270 nan 0.000 0.418 521 G N -0.180 108.656 108.800 0.060 0.000 2.203 521 G HA2 -0.400 3.558 3.960 -0.003 0.000 0.263 521 G HA3 -0.400 3.558 3.960 -0.003 0.000 0.263 521 G C 0.959 175.955 174.900 0.159 0.000 1.012 521 G CA 0.965 46.115 45.100 0.083 0.000 0.749 521 G HN 0.495 nan 8.290 nan 0.000 0.512 522 K N -0.647 119.858 120.400 0.175 0.000 2.209 522 K HA -0.064 4.254 4.320 -0.003 0.000 0.204 522 K C 2.545 179.280 176.600 0.224 0.000 1.048 522 K CA 1.832 58.269 56.287 0.249 0.000 0.940 522 K CB -0.084 32.474 32.500 0.097 0.000 0.729 522 K HN 0.660 nan 8.250 nan 0.000 0.451 523 T N -3.638 111.015 114.554 0.166 0.000 3.003 523 T HA 0.074 4.422 4.350 -0.003 0.000 0.261 523 T C 1.504 176.312 174.700 0.180 0.000 1.003 523 T CA 0.247 62.464 62.100 0.196 0.000 0.917 523 T CB 0.459 69.463 68.868 0.228 0.000 1.084 523 T HN 0.084 nan 8.240 nan 0.000 0.522 524 S N 0.063 115.849 115.700 0.144 0.000 2.520 524 S HA 0.387 4.856 4.470 -0.003 0.000 0.219 524 S C 2.141 176.817 174.600 0.126 0.000 1.028 524 S CA 0.426 58.701 58.200 0.125 0.000 0.921 524 S CB -0.434 62.816 63.200 0.083 0.000 0.844 524 S HN 0.458 nan 8.310 nan 0.000 0.495 525 G N 2.485 111.363 108.800 0.130 0.000 2.511 525 G HA2 -0.138 3.821 3.960 -0.003 0.000 0.216 525 G HA3 -0.138 3.821 3.960 -0.003 0.000 0.216 525 G C 1.344 176.321 174.900 0.129 0.000 1.218 525 G CA 1.416 46.573 45.100 0.095 0.000 0.788 525 G HN 0.437 nan 8.290 nan 0.000 0.560 526 V N 1.584 121.633 119.914 0.225 0.000 2.453 526 V HA -0.023 4.096 4.120 -0.003 0.000 0.247 526 V C 3.305 179.540 176.094 0.235 0.000 1.048 526 V CA 1.704 64.178 62.300 0.290 0.000 1.049 526 V CB -0.817 31.276 31.823 0.449 0.000 0.672 526 V HN 0.493 nan 8.190 nan 0.000 0.457 527 A N 0.497 123.481 122.820 0.273 0.000 1.917 527 A HA -0.200 4.118 4.320 -0.003 0.000 0.219 527 A C 2.433 180.128 177.584 0.184 0.000 1.182 527 A CA 2.326 54.540 52.037 0.295 0.000 0.633 527 A CB -0.794 18.362 19.000 0.259 0.000 0.819 527 A HN 0.584 nan 8.150 nan 0.000 0.448 528 A N -0.229 122.662 122.820 0.119 0.000 1.930 528 A HA -0.028 4.290 4.320 -0.003 0.000 0.217 528 A C 1.971 179.554 177.584 -0.002 0.000 1.175 528 A CA 1.522 53.594 52.037 0.060 0.000 0.627 528 A CB -0.455 18.572 19.000 0.044 0.000 0.815 528 A HN 0.423 nan 8.150 nan 0.000 0.443 529 I N 0.117 120.674 120.570 -0.022 0.000 2.226 529 I HA -0.187 3.981 4.170 -0.003 0.000 0.245 529 I C 2.639 178.598 176.117 -0.263 0.000 1.100 529 I CA 1.548 62.784 61.300 -0.107 0.000 1.374 529 I CB -1.991 35.987 38.000 -0.037 0.000 1.057 529 I HN 0.346 nan 8.210 nan 0.000 0.413 530 G N 0.438 109.029 108.800 -0.348 0.000 2.408 530 G HA2 -0.114 3.844 3.960 -0.003 0.000 0.217 530 G HA3 -0.114 3.844 3.960 -0.003 0.000 0.217 530 G C 1.856 176.681 174.900 -0.125 0.000 1.150 530 G CA 0.714 45.473 45.100 -0.567 0.000 0.776 530 G HN 0.277 nan 8.290 nan 0.000 0.542 531 V N 1.090 121.006 119.914 0.004 0.000 2.379 531 V HA -0.085 4.034 4.120 -0.003 0.000 0.245 531 V C 2.762 178.828 176.094 -0.046 0.000 1.044 531 V CA 1.256 63.573 62.300 0.028 0.000 1.036 531 V CB -0.297 31.555 31.823 0.048 0.000 0.664 531 V HN 0.386 nan 8.190 nan 0.000 0.453 532 I N 0.522 121.047 120.570 -0.076 0.000 2.226 532 I HA -0.237 3.932 4.170 -0.003 0.000 0.245 532 I C 2.649 178.699 176.117 -0.112 0.000 1.100 532 I CA 1.484 62.730 61.300 -0.091 0.000 1.374 532 I CB -0.577 37.369 38.000 -0.090 0.000 1.057 532 I HN 0.294 nan 8.210 nan 0.000 0.413 533 A N 0.787 123.513 122.820 -0.158 0.000 1.898 533 A HA -0.124 4.195 4.320 -0.003 0.000 0.216 533 A C 2.562 180.085 177.584 -0.102 0.000 1.181 533 A CA 1.769 53.705 52.037 -0.169 0.000 0.620 533 A CB -0.788 18.037 19.000 -0.291 0.000 0.819 533 A HN 0.418 nan 8.150 nan 0.000 0.442 534 A N -0.597 122.184 122.820 -0.065 0.000 1.877 534 A HA -0.020 4.299 4.320 -0.003 0.000 0.216 534 A C 2.228 179.782 177.584 -0.051 0.000 1.186 534 A CA 1.830 53.859 52.037 -0.012 0.000 0.620 534 A CB -1.007 18.020 19.000 0.046 0.000 0.822 534 A HN 0.397 nan 8.150 nan 0.000 0.443 535 V N -0.034 119.834 119.914 -0.077 0.000 2.407 535 V HA -0.177 3.942 4.120 -0.003 0.000 0.248 535 V C 2.144 178.187 176.094 -0.084 0.000 1.055 535 V CA 1.739 63.979 62.300 -0.100 0.000 1.049 535 V CB -0.536 31.218 31.823 -0.115 0.000 0.662 535 V HN 0.548 nan 8.190 nan 0.000 0.455 536 L N 0.172 121.347 121.223 -0.078 0.000 2.611 536 L HA 0.330 4.669 4.340 -0.003 0.000 0.229 536 L C 1.556 178.390 176.870 -0.060 0.000 1.137 536 L CA 0.638 55.436 54.840 -0.070 0.000 0.901 536 L CB -0.514 41.501 42.059 -0.074 0.000 1.098 536 L HN 0.518 nan 8.230 nan 0.000 0.456 537 G N 1.585 110.352 108.800 -0.054 0.000 2.273 537 G HA2 -0.289 3.670 3.960 -0.003 0.000 0.280 537 G HA3 -0.289 3.670 3.960 -0.003 0.000 0.280 537 G C 0.078 174.951 174.900 -0.044 0.000 1.047 537 G CA 0.073 45.149 45.100 -0.040 0.000 0.869 537 G HN 0.347 nan 8.290 nan 0.000 0.502 538 I N -0.186 120.346 120.570 -0.063 0.000 2.385 538 I HA 0.291 4.459 4.170 -0.003 0.000 0.294 538 I C 1.219 177.286 176.117 -0.083 0.000 0.988 538 I CA -1.039 60.214 61.300 -0.077 0.000 1.265 538 I CB 1.314 39.251 38.000 -0.104 0.000 1.388 538 I HN -0.006 nan 8.210 nan 0.000 0.480 539 E N 3.428 123.587 120.200 -0.069 0.000 2.060 539 E HA -0.041 4.307 4.350 -0.003 0.000 0.189 539 E C 0.437 176.971 176.600 -0.109 0.000 0.974 539 E CA 0.748 57.117 56.400 -0.051 0.000 0.808 539 E CB -0.007 29.684 29.700 -0.015 0.000 0.768 539 E HN 0.582 nan 8.360 nan 0.000 0.453 540 N N 1.721 120.327 118.700 -0.158 0.000 2.462 540 N HA 0.081 4.819 4.740 -0.003 0.000 0.242 540 N C -2.145 173.097 175.510 -0.446 0.000 1.010 540 N CA -1.721 51.161 53.050 -0.281 0.000 0.939 540 N CB 1.553 39.940 38.487 -0.168 0.000 1.127 540 N HN -0.280 nan 8.380 nan 0.000 0.509 541 P HA -0.149 nan 4.420 nan 0.000 0.218 541 P C 0.749 177.755 177.300 -0.490 0.000 1.146 541 P CA 0.863 63.459 63.100 -0.840 0.000 0.813 541 P CB 0.232 30.976 31.700 -1.593 0.000 0.778 542 A N -0.528 121.990 122.820 -0.504 0.000 2.067 542 A HA -0.229 4.090 4.320 -0.003 0.000 0.219 542 A C 2.145 179.726 177.584 -0.006 0.000 1.158 542 A CA 1.269 53.291 52.037 -0.026 0.000 0.661 542 A CB -0.986 18.042 19.000 0.048 0.000 0.801 542 A HN 0.235 nan 8.150 nan 0.000 0.452 543 Q N -0.675 119.065 119.800 -0.100 0.000 2.167 543 Q HA -0.044 4.295 4.340 -0.003 0.000 0.202 543 Q C 1.820 177.783 176.000 -0.062 0.000 0.970 543 Q CA 1.272 57.035 55.803 -0.068 0.000 0.855 543 Q CB -0.195 28.490 28.738 -0.089 0.000 0.911 543 Q HN 0.768 nan 8.270 nan 0.000 0.438 544 I N -0.372 120.147 120.570 -0.084 0.000 2.339 544 I HA -0.010 4.158 4.170 -0.003 0.000 0.245 544 I C 1.231 177.318 176.117 -0.050 0.000 1.096 544 I CA 0.692 61.946 61.300 -0.077 0.000 1.408 544 I CB -0.391 37.541 38.000 -0.112 0.000 1.092 544 I HN 0.262 nan 8.210 nan 0.000 0.423 545 G N 1.141 109.945 108.800 0.006 0.000 2.828 545 G HA2 -0.200 3.759 3.960 -0.003 0.000 0.463 545 G HA3 -0.200 3.759 3.960 -0.003 0.000 0.463 545 G C -0.013 174.772 174.900 -0.192 0.000 1.394 545 G CA -0.239 44.830 45.100 -0.051 0.000 0.862 545 G HN 0.462 nan 8.290 nan 0.000 0.540 546 T N -2.672 111.691 114.554 -0.318 0.000 2.937 546 T HA 0.851 5.199 4.350 -0.003 0.000 0.283 546 T C 0.870 175.421 174.700 -0.249 0.000 1.012 546 T CA 0.604 62.503 62.100 -0.335 0.000 0.997 546 T CB 1.560 70.180 68.868 -0.414 0.000 1.136 546 T HN 2.021 nan 8.240 nan 0.000 0.551 547 T N -0.729 113.642 114.554 -0.304 0.000 2.847 547 T HA 0.459 4.808 4.350 -0.003 0.000 0.279 547 T C 0.292 174.784 174.700 -0.347 0.000 0.984 547 T CA -0.770 61.168 62.100 -0.270 0.000 0.988 547 T CB 0.132 68.853 68.868 -0.245 0.000 1.040 547 T HN 0.721 nan 8.240 nan 0.000 0.528 548 T N 1.698 116.117 114.554 -0.225 0.000 2.940 548 T HA 0.266 4.614 4.350 -0.003 0.000 0.309 548 T C -0.457 174.095 174.700 -0.248 0.000 1.056 548 T CA 0.103 62.112 62.100 -0.151 0.000 1.137 548 T CB -0.362 68.469 68.868 -0.063 0.000 0.976 548 T HN 0.414 nan 8.240 nan 0.000 0.547 549 F N 3.068 122.986 119.950 -0.053 0.000 2.410 549 F HA 0.468 4.993 4.527 -0.003 0.000 0.349 549 F C 1.091 176.897 175.800 0.009 0.000 1.117 549 F CA -0.664 57.317 58.000 -0.033 0.000 1.104 549 F CB 0.907 39.872 39.000 -0.059 0.000 1.122 549 F HN 0.161 nan 8.300 nan 0.000 0.483 550 R N 1.873 122.486 120.500 0.189 0.000 2.807 550 R HA 0.727 5.065 4.340 -0.003 0.000 0.276 550 R C -0.672 175.743 176.300 0.192 0.000 0.979 550 R CA -1.239 54.951 56.100 0.149 0.000 0.928 550 R CB 1.846 32.204 30.300 0.097 0.000 1.191 550 R HN 0.669 nan 8.270 nan 0.000 0.471 551 A N 3.377 126.302 122.820 0.174 0.000 2.371 551 A HA 0.498 4.816 4.320 -0.003 0.000 0.257 551 A C -1.807 175.914 177.584 0.227 0.000 1.089 551 A CA -0.930 51.253 52.037 0.242 0.000 0.794 551 A CB -0.278 18.883 19.000 0.267 0.000 1.029 551 A HN 0.448 nan 8.150 nan 0.000 0.488 552 P HA 0.162 nan 4.420 nan 0.000 0.284 552 P C 0.036 177.506 177.300 0.282 0.000 1.258 552 P CA -0.333 62.952 63.100 0.308 0.000 0.824 552 P CB 0.733 32.460 31.700 0.046 0.000 1.038 553 Y N 2.330 122.777 120.300 0.245 0.000 2.128 553 Y HA -0.127 4.422 4.550 -0.003 0.000 0.284 553 Y C 0.862 176.846 175.900 0.139 0.000 1.154 553 Y CA 2.094 60.307 58.100 0.189 0.000 1.149 553 Y CB -0.387 38.155 38.460 0.136 0.000 0.976 553 Y HN 0.476 nan 8.280 nan 0.000 0.505 554 T N -2.143 112.383 114.554 -0.047 0.000 2.903 554 T HA 0.525 4.874 4.350 -0.003 0.000 0.299 554 T C -2.914 171.753 174.700 -0.055 0.000 1.093 554 T CA -2.305 59.711 62.100 -0.140 0.000 1.002 554 T CB 2.047 70.836 68.868 -0.132 0.000 1.127 554 T HN -0.205 nan 8.240 nan 0.000 0.488 555 P HA 0.341 nan 4.420 nan 0.000 0.266 555 P C -1.047 176.188 177.300 -0.108 0.000 1.193 555 P CA -0.403 62.656 63.100 -0.068 0.000 0.770 555 P CB 0.385 32.062 31.700 -0.037 0.000 0.836 556 V N 1.786 121.608 119.914 -0.154 0.000 2.638 556 V HA 0.294 4.412 4.120 -0.003 0.000 0.306 556 V C 0.198 176.253 176.094 -0.066 0.000 1.052 556 V CA -0.781 61.404 62.300 -0.193 0.000 0.885 556 V CB 1.781 33.310 31.823 -0.491 0.000 0.999 556 V HN 0.672 nan 8.190 nan 0.000 0.424 557 S N 3.663 119.338 115.700 -0.041 0.000 2.568 557 S HA 0.243 4.712 4.470 -0.003 0.000 0.282 557 S C 0.910 175.560 174.600 0.084 0.000 1.338 557 S CA -0.125 58.078 58.200 0.005 0.000 1.045 557 S CB 0.275 63.424 63.200 -0.084 0.000 0.873 557 S HN 0.418 nan 8.310 nan 0.000 0.516 558 F N 2.022 121.882 119.950 -0.150 0.000 2.091 558 F HA -0.072 4.454 4.527 -0.003 0.000 0.299 558 F C 2.796 178.489 175.800 -0.179 0.000 1.103 558 F CA 1.066 58.991 58.000 -0.126 0.000 1.228 558 F CB -1.603 37.346 39.000 -0.085 0.000 0.984 558 F HN 0.809 nan 8.300 nan 0.000 0.477 559 A N -0.131 122.642 122.820 -0.077 0.000 1.908 559 A HA -0.076 4.242 4.320 -0.003 0.000 0.218 559 A C 2.473 179.708 177.584 -0.581 0.000 1.181 559 A CA 2.002 53.840 52.037 -0.332 0.000 0.627 559 A CB -1.300 17.419 19.000 -0.469 0.000 0.818 559 A HN 0.315 nan 8.150 nan 0.000 0.445 560 A N -0.233 122.160 122.820 -0.712 0.000 1.902 560 A HA -0.045 4.274 4.320 -0.003 0.000 0.217 560 A C 2.128 179.752 177.584 0.067 0.000 1.181 560 A CA 1.505 53.331 52.037 -0.351 0.000 0.623 560 A CB -0.606 18.307 19.000 -0.145 0.000 0.818 560 A HN 0.485 nan 8.150 nan 0.000 0.443 561 L N -0.933 120.305 121.223 0.025 0.000 2.201 561 L HA -0.144 4.195 4.340 -0.003 0.000 0.212 561 L C 2.949 179.959 176.870 0.234 0.000 1.105 561 L CA 0.828 55.747 54.840 0.132 0.000 0.775 561 L CB -0.472 41.585 42.059 -0.004 0.000 0.913 561 L HN 0.442 nan 8.230 nan 0.000 0.440 562 A N -0.181 122.685 122.820 0.077 0.000 1.968 562 A HA 0.206 4.525 4.320 -0.003 0.000 0.217 562 A C 1.760 179.300 177.584 -0.075 0.000 1.169 562 A CA 1.069 53.121 52.037 0.026 0.000 0.638 562 A CB -0.640 18.355 19.000 -0.009 0.000 0.812 562 A HN 0.477 nan 8.150 nan 0.000 0.446 563 G N -0.532 108.210 108.800 -0.097 0.000 2.583 563 G HA2 -0.323 3.635 3.960 -0.003 0.000 0.292 563 G HA3 -0.323 3.635 3.960 -0.003 0.000 0.292 563 G C 0.591 175.336 174.900 -0.259 0.000 1.203 563 G CA 0.378 45.264 45.100 -0.357 0.000 0.987 563 G HN 0.411 nan 8.290 nan 0.000 0.554 564 R N 0.919 121.223 120.500 -0.327 0.000 2.388 564 R HA 0.222 4.560 4.340 -0.003 0.000 0.247 564 R C 1.006 177.213 176.300 -0.155 0.000 0.931 564 R CA 0.680 56.632 56.100 -0.247 0.000 1.082 564 R CB -0.481 29.673 30.300 -0.244 0.000 1.135 564 R HN 0.404 nan 8.270 nan 0.000 0.525 565 T N 2.690 117.160 114.554 -0.141 0.000 4.098 565 T HA 0.254 4.603 4.350 -0.003 0.000 0.291 565 T C 0.327 174.991 174.700 -0.059 0.000 1.440 565 T CA -0.043 62.005 62.100 -0.087 0.000 1.164 565 T CB 0.128 68.954 68.868 -0.069 0.000 1.313 565 T HN -0.126 nan 8.240 nan 0.000 0.951 566 R N 0.242 120.709 120.500 -0.055 0.000 2.888 566 R HA 0.748 5.086 4.340 -0.003 0.000 0.264 566 R C 0.985 177.272 176.300 -0.022 0.000 1.045 566 R CA -0.324 55.758 56.100 -0.030 0.000 0.962 566 R CB 0.929 31.215 30.300 -0.023 0.000 1.210 566 R HN 0.510 nan 8.270 nan 0.000 0.479 567 G N 1.252 110.048 108.800 -0.007 0.000 2.611 567 G HA2 -0.351 3.608 3.960 -0.003 0.000 0.301 567 G HA3 -0.351 3.608 3.960 -0.003 0.000 0.301 567 G C 0.515 175.407 174.900 -0.013 0.000 1.233 567 G CA 0.508 45.606 45.100 -0.004 0.000 0.993 567 G HN 0.568 nan 8.290 nan 0.000 0.553 568 E N 0.535 120.725 120.200 -0.017 0.000 2.427 568 E HA 0.113 4.461 4.350 -0.003 0.000 0.196 568 E C 2.517 179.092 176.600 -0.041 0.000 1.028 568 E CA 0.425 56.808 56.400 -0.028 0.000 0.864 568 E CB 0.031 29.714 29.700 -0.029 0.000 0.813 568 E HN 0.519 nan 8.360 nan 0.000 0.514 569 L N 0.813 122.012 121.223 -0.038 0.000 2.612 569 L HA 0.032 4.370 4.340 -0.003 0.000 0.230 569 L C 1.998 178.837 176.870 -0.051 0.000 1.140 569 L CA -0.180 54.630 54.840 -0.049 0.000 0.896 569 L CB -0.125 41.906 42.059 -0.047 0.000 1.065 569 L HN 0.085 nan 8.230 nan 0.000 0.447 570 L N -0.244 120.953 121.223 -0.042 0.000 2.083 570 L HA 0.022 4.360 4.340 -0.003 0.000 0.209 570 L C 0.188 177.032 176.870 -0.044 0.000 1.083 570 L CA 1.832 56.649 54.840 -0.038 0.000 0.752 570 L CB 0.021 42.065 42.059 -0.026 0.000 0.899 570 L HN 0.159 nan 8.230 nan 0.000 0.433 571 D N -1.912 118.457 120.400 -0.052 0.000 2.927 571 D HA 0.353 4.992 4.640 -0.003 0.000 0.219 571 D C -2.728 173.523 176.300 -0.082 0.000 1.248 571 D CA -1.444 52.519 54.000 -0.062 0.000 0.861 571 D CB 1.615 42.383 40.800 -0.053 0.000 1.677 571 D HN -0.185 nan 8.370 nan 0.000 0.511 572 P HA 0.314 nan 4.420 nan 0.000 0.264 572 P C -1.290 175.916 177.300 -0.157 0.000 1.183 572 P CA -0.193 62.826 63.100 -0.135 0.000 0.763 572 P CB 0.608 32.212 31.700 -0.160 0.000 0.807 573 A N 4.170 126.890 122.820 -0.167 0.000 2.316 573 A HA 0.348 4.667 4.320 -0.003 0.000 0.324 573 A C 0.091 177.528 177.584 -0.244 0.000 1.375 573 A CA -0.708 51.220 52.037 -0.181 0.000 0.882 573 A CB 0.226 19.131 19.000 -0.159 0.000 1.152 573 A HN 0.439 nan 8.150 nan 0.000 0.512 574 R N 2.006 122.316 120.500 -0.317 0.000 2.298 574 R HA 0.480 4.819 4.340 -0.003 0.000 0.310 574 R C -0.960 175.245 176.300 -0.157 0.000 1.068 574 R CA 0.046 55.872 56.100 -0.458 0.000 0.957 574 R CB 0.603 30.203 30.300 -1.166 0.000 1.003 574 R HN 0.644 nan 8.270 nan 0.000 0.454 575 L N 2.187 123.338 121.223 -0.120 0.000 2.346 575 L HA 0.421 4.760 4.340 -0.003 0.000 0.276 575 L C 0.874 177.886 176.870 0.236 0.000 1.006 575 L CA -0.983 53.827 54.840 -0.050 0.000 0.817 575 L CB 1.875 43.723 42.059 -0.351 0.000 1.272 575 L HN 0.687 nan 8.230 nan 0.000 0.421 576 T N -1.105 113.633 114.554 0.306 0.000 2.788 576 T HA 0.386 4.734 4.350 -0.003 0.000 0.280 576 T C 1.220 176.005 174.700 0.141 0.000 0.984 576 T CA -0.007 62.238 62.100 0.242 0.000 0.972 576 T CB 1.461 70.399 68.868 0.116 0.000 1.039 576 T HN 0.639 nan 8.240 nan 0.000 0.530 577 A N 1.064 123.938 122.820 0.090 0.000 2.070 577 A HA 0.031 4.349 4.320 -0.003 0.000 0.220 577 A C 2.164 179.747 177.584 -0.002 0.000 1.159 577 A CA 1.252 53.329 52.037 0.067 0.000 0.656 577 A CB -0.762 18.289 19.000 0.084 0.000 0.800 577 A HN 0.852 nan 8.150 nan 0.000 0.453 578 M N -1.655 117.863 119.600 -0.136 0.000 2.431 578 M HA 0.180 4.658 4.480 -0.003 0.000 0.237 578 M C 1.223 177.202 176.300 -0.534 0.000 1.130 578 M CA 0.661 55.704 55.300 -0.429 0.000 1.002 578 M CB -1.638 30.423 32.600 -0.899 0.000 1.524 578 M HN 0.495 nan 8.290 nan 0.000 0.482 579 H N 2.867 121.805 119.070 -0.220 0.000 2.319 579 H HA -0.082 4.473 4.556 -0.003 0.000 0.297 579 H C -0.947 174.417 175.328 0.060 0.000 1.097 579 H CA 2.879 58.928 56.048 0.002 0.000 1.285 579 H CB -1.170 28.619 29.762 0.045 0.000 1.368 579 H HN 0.177 nan 8.280 nan 0.000 0.495 580 P HA -0.185 nan 4.420 nan 0.000 0.215 580 P C 1.056 178.408 177.300 0.086 0.000 1.157 580 P CA 1.772 64.913 63.100 0.069 0.000 0.874 580 P CB -0.344 31.418 31.700 0.104 0.000 0.790 581 W N -0.120 121.108 121.300 -0.119 0.000 2.358 581 W HA -0.201 4.458 4.660 -0.003 0.000 0.303 581 W C 2.333 178.906 176.519 0.089 0.000 1.208 581 W CA 1.789 59.118 57.345 -0.027 0.000 1.274 581 W CB -0.935 28.402 29.460 -0.204 0.000 1.138 581 W HN 0.136 nan 8.180 nan 0.000 0.515 582 H N -0.612 118.645 119.070 0.312 0.000 2.387 582 H HA -0.204 4.350 4.556 -0.003 0.000 0.299 582 H C 2.248 177.603 175.328 0.045 0.000 1.099 582 H CA 1.677 57.855 56.048 0.217 0.000 1.315 582 H CB -0.398 29.466 29.762 0.170 0.000 1.380 582 H HN 0.178 nan 8.280 nan 0.000 0.513 583 L N 0.210 121.525 121.223 0.154 0.000 1.988 583 L HA -0.138 4.200 4.340 -0.003 0.000 0.207 583 L C 2.811 179.680 176.870 -0.002 0.000 1.071 583 L CA 0.851 55.746 54.840 0.092 0.000 0.744 583 L CB -0.479 41.591 42.059 0.018 0.000 0.893 583 L HN 0.303 nan 8.230 nan 0.000 0.433 584 A N -1.737 121.054 122.820 -0.049 0.000 2.178 584 A HA -0.177 4.141 4.320 -0.003 0.000 0.218 584 A C 1.473 178.830 177.584 -0.379 0.000 1.157 584 A CA 1.144 53.075 52.037 -0.177 0.000 0.689 584 A CB -0.674 18.218 19.000 -0.179 0.000 0.787 584 A HN 0.496 nan 8.150 nan 0.000 0.465 585 H N -1.146 117.735 119.070 -0.316 0.000 2.472 585 H HA 0.281 4.836 4.556 -0.003 0.000 0.287 585 H C 1.322 176.574 175.328 -0.127 0.000 1.112 585 H CA 0.175 56.025 56.048 -0.329 0.000 1.021 585 H CB -0.143 29.195 29.762 -0.707 0.000 1.635 585 H HN 0.552 nan 8.280 nan 0.000 0.559 586 G N 1.655 110.410 108.800 -0.076 0.000 2.341 586 G HA2 -0.290 3.669 3.960 -0.003 0.000 0.292 586 G HA3 -0.290 3.669 3.960 -0.003 0.000 0.292 586 G C 0.489 175.271 174.900 -0.197 0.000 1.021 586 G CA 0.401 45.446 45.100 -0.092 0.000 0.905 586 G HN 0.619 nan 8.290 nan 0.000 0.508 587 A N -0.273 122.321 122.820 -0.377 0.000 2.371 587 A HA 0.657 4.976 4.320 -0.003 0.000 0.257 587 A C 0.575 177.595 177.584 -0.939 0.000 1.089 587 A CA -0.162 51.355 52.037 -0.866 0.000 0.794 587 A CB 0.610 18.819 19.000 -1.319 0.000 1.029 587 A HN 0.225 nan 8.150 nan 0.000 0.488 588 K N 2.057 121.878 120.400 -0.965 0.000 2.240 588 K HA 0.434 4.753 4.320 -0.003 0.000 0.271 588 K C -1.164 175.106 176.600 -0.550 0.000 1.018 588 K CA 0.118 55.989 56.287 -0.693 0.000 0.874 588 K CB 0.757 32.678 32.500 -0.965 0.000 1.098 588 K HN 0.531 nan 8.250 nan 0.000 0.458 589 F N 1.206 121.116 119.950 -0.067 0.000 2.380 589 F HA 0.268 4.794 4.527 -0.003 0.000 0.321 589 F C 1.090 176.916 175.800 0.044 0.000 1.103 589 F CA -0.595 57.408 58.000 0.004 0.000 1.067 589 F CB 0.956 39.973 39.000 0.029 0.000 1.265 589 F HN 0.463 nan 8.300 nan 0.000 0.517 590 E N -0.698 119.607 120.200 0.174 0.000 2.367 590 E HA 0.352 4.701 4.350 -0.003 0.000 0.273 590 E C -2.017 174.573 176.600 -0.017 0.000 0.903 590 E CA -1.058 55.275 56.400 -0.111 0.000 0.764 590 E CB 1.677 31.059 29.700 -0.528 0.000 1.252 590 E HN 0.342 nan 8.360 nan 0.000 0.446 591 D N 2.168 122.534 120.400 -0.057 0.000 2.339 591 D HA 0.207 4.845 4.640 -0.003 0.000 0.241 591 D C -0.665 175.645 176.300 0.016 0.000 1.183 591 D CA -0.223 53.778 54.000 0.002 0.000 0.859 591 D CB 1.693 42.487 40.800 -0.010 0.000 1.067 591 D HN 0.201 nan 8.370 nan 0.000 0.484 592 V N 2.831 122.798 119.914 0.088 0.000 2.275 592 V HA 0.493 4.611 4.120 -0.003 0.000 0.272 592 V C 1.154 177.354 176.094 0.177 0.000 1.028 592 V CA -0.160 62.210 62.300 0.117 0.000 0.810 592 V CB 0.544 32.443 31.823 0.127 0.000 1.043 592 V HN 0.872 nan 8.190 nan 0.000 0.453 593 G N 4.992 113.858 108.800 0.111 0.000 2.561 593 G HA2 -0.322 3.636 3.960 -0.003 0.000 0.289 593 G HA3 -0.322 3.636 3.960 -0.003 0.000 0.289 593 G C 0.505 175.432 174.900 0.046 0.000 1.169 593 G CA 0.773 45.928 45.100 0.092 0.000 0.980 593 G HN 0.578 nan 8.290 nan 0.000 0.550 594 Q N -0.276 119.515 119.800 -0.016 0.000 2.280 594 Q HA 0.263 4.601 4.340 -0.003 0.000 0.201 594 Q C 0.110 176.031 176.000 -0.132 0.000 0.890 594 Q CA -0.266 55.468 55.803 -0.114 0.000 0.947 594 Q CB 0.505 29.116 28.738 -0.212 0.000 1.081 594 Q HN 0.484 nan 8.270 nan 0.000 0.502 595 W N 1.477 122.756 121.300 -0.036 0.000 2.313 595 W HA 0.245 4.903 4.660 -0.002 0.000 0.328 595 W C 0.369 176.865 176.519 -0.039 0.000 1.197 595 W CA -0.644 56.679 57.345 -0.038 0.000 1.235 595 W CB 0.819 30.275 29.460 -0.007 0.000 1.158 595 W HN -0.361 nan 8.180 nan 0.000 0.578 596 K N 4.284 124.837 120.400 0.254 0.000 2.292 596 K HA 0.390 4.709 4.320 -0.003 0.000 0.270 596 K C -0.302 176.460 176.600 0.271 0.000 1.062 596 K CA -0.523 55.835 56.287 0.118 0.000 0.916 596 K CB 1.047 33.452 32.500 -0.160 0.000 1.166 596 K HN 0.493 nan 8.250 nan 0.000 0.458 597 R N 2.658 123.338 120.500 0.300 0.000 2.670 597 R HA 0.399 4.737 4.340 -0.003 0.000 0.289 597 R C -2.543 173.929 176.300 0.286 0.000 0.965 597 R CA -2.178 54.080 56.100 0.263 0.000 0.899 597 R CB 1.521 31.884 30.300 0.106 0.000 1.173 597 R HN 0.199 nan 8.270 nan 0.000 0.456 598 P HA -0.073 nan 4.420 nan 0.000 0.267 598 P C -0.450 176.809 177.300 -0.069 0.000 1.209 598 P CA 0.018 62.910 63.100 -0.347 0.000 0.763 598 P CB 0.410 31.709 31.700 -0.668 0.000 0.816 599 W N 6.442 127.559 121.300 -0.304 0.000 2.588 599 W HA 0.120 4.778 4.660 -0.003 0.000 0.277 599 W C -0.347 176.233 176.519 0.101 0.000 1.221 599 W CA 0.965 58.273 57.345 -0.061 0.000 1.355 599 W CB -0.057 29.406 29.460 0.004 0.000 1.083 599 W HN 0.433 nan 8.180 nan 0.000 0.581 600 Y N -3.482 116.748 120.300 -0.116 0.000 2.661 600 Y HA 0.334 4.882 4.550 -0.003 0.000 0.339 600 Y C -2.267 173.519 175.900 -0.190 0.000 1.186 600 Y CA -2.311 55.735 58.100 -0.091 0.000 1.137 600 Y CB -0.426 37.904 38.460 -0.216 0.000 1.354 600 Y HN -0.144 nan 8.280 nan 0.000 0.469 601 Y N 3.537 123.892 120.300 0.092 0.000 2.721 601 Y HA 0.515 5.063 4.550 -0.003 0.000 0.328 601 Y C -2.527 173.443 175.900 0.117 0.000 1.003 601 Y CA -2.720 55.396 58.100 0.027 0.000 1.275 601 Y CB 0.872 39.392 38.460 0.099 0.000 1.097 601 Y HN 0.342 nan 8.280 nan 0.000 0.514 602 P HA 0.169 nan 4.420 nan 0.000 0.277 602 P C -1.240 176.142 177.300 0.138 0.000 1.240 602 P CA -0.466 62.760 63.100 0.209 0.000 0.798 602 P CB 1.565 33.403 31.700 0.229 0.000 0.979 603 Q N -0.024 119.847 119.800 0.118 0.000 2.284 603 Q HA 0.397 4.736 4.340 -0.003 0.000 0.269 603 Q C -1.211 174.829 176.000 0.067 0.000 1.026 603 Q CA -0.852 55.005 55.803 0.090 0.000 0.831 603 Q CB 1.406 30.208 28.738 0.106 0.000 1.322 603 Q HN 0.294 nan 8.270 nan 0.000 0.419 604 D N 1.633 122.062 120.400 0.049 0.000 2.737 604 D HA -0.153 4.485 4.640 -0.003 0.000 0.243 604 D C 0.666 176.986 176.300 0.033 0.000 1.109 604 D CA 1.536 55.558 54.000 0.037 0.000 0.702 604 D CB -1.328 39.495 40.800 0.037 0.000 1.068 604 D HN 1.296 nan 8.370 nan 0.000 0.432 605 G N 0.629 109.449 108.800 0.033 0.000 2.203 605 G HA2 -0.381 3.577 3.960 -0.003 0.000 0.263 605 G HA3 -0.381 3.577 3.960 -0.003 0.000 0.263 605 G C 0.169 175.087 174.900 0.030 0.000 1.012 605 G CA 0.880 45.998 45.100 0.029 0.000 0.749 605 G HN 0.642 nan 8.290 nan 0.000 0.512 606 E N 0.907 121.132 120.200 0.042 0.000 2.384 606 E HA 0.439 4.788 4.350 -0.003 0.000 0.266 606 E C 1.233 177.852 176.600 0.030 0.000 1.012 606 E CA 0.249 56.671 56.400 0.038 0.000 0.901 606 E CB 0.341 30.077 29.700 0.060 0.000 0.967 606 E HN 0.545 nan 8.360 nan 0.000 0.435 607 S N 3.842 119.535 115.700 -0.011 0.000 2.614 607 S HA 0.025 4.494 4.470 -0.003 0.000 0.265 607 S C 1.265 175.780 174.600 -0.142 0.000 1.303 607 S CA -0.607 57.563 58.200 -0.050 0.000 1.000 607 S CB 1.206 64.368 63.200 -0.064 0.000 0.935 607 S HN 0.846 nan 8.310 nan 0.000 0.551 608 M N 0.570 119.989 119.600 -0.301 0.000 2.080 608 M HA -0.183 4.296 4.480 -0.003 0.000 0.260 608 M C 1.056 177.051 176.300 -0.509 0.000 1.068 608 M CA 2.229 57.061 55.300 -0.781 0.000 1.109 608 M CB -0.681 31.281 32.600 -1.062 0.000 1.342 608 M HN 0.779 nan 8.290 nan 0.000 0.405 609 D N 0.493 120.718 120.400 -0.292 0.000 2.104 609 D HA -0.183 4.455 4.640 -0.003 0.000 0.194 609 D C 1.868 178.121 176.300 -0.078 0.000 0.994 609 D CA 1.790 55.695 54.000 -0.158 0.000 0.830 609 D CB -0.370 40.364 40.800 -0.109 0.000 0.959 609 D HN 0.582 nan 8.370 nan 0.000 0.452 610 E N 0.543 120.696 120.200 -0.078 0.000 2.077 610 E HA -0.107 4.242 4.350 -0.003 0.000 0.193 610 E C 2.120 178.743 176.600 0.038 0.000 0.989 610 E CA 0.988 57.378 56.400 -0.016 0.000 0.800 610 E CB -0.066 29.618 29.700 -0.027 0.000 0.746 610 E HN 0.200 nan 8.360 nan 0.000 0.452 611 A N 1.098 123.910 122.820 -0.013 0.000 1.877 611 A HA -0.149 4.169 4.320 -0.003 0.000 0.216 611 A C 2.542 180.154 177.584 0.047 0.000 1.186 611 A CA 1.287 53.352 52.037 0.046 0.000 0.620 611 A CB -0.749 18.304 19.000 0.087 0.000 0.822 611 A HN 0.119 nan 8.150 nan 0.000 0.443 612 V N -1.509 118.377 119.914 -0.046 0.000 2.343 612 V HA -0.271 3.847 4.120 -0.003 0.000 0.247 612 V C 2.334 178.446 176.094 0.030 0.000 1.051 612 V CA 2.076 64.365 62.300 -0.019 0.000 1.036 612 V CB -1.037 30.732 31.823 -0.090 0.000 0.654 612 V HN 0.684 nan 8.190 nan 0.000 0.451 613 Y N 1.268 121.535 120.300 -0.057 0.000 2.128 613 Y HA -0.307 4.242 4.550 -0.003 0.000 0.284 613 Y C 2.841 178.717 175.900 -0.040 0.000 1.154 613 Y CA 2.480 60.554 58.100 -0.043 0.000 1.149 613 Y CB -0.242 38.196 38.460 -0.038 0.000 0.976 613 Y HN 0.098 nan 8.280 nan 0.000 0.505 614 R N 0.391 120.968 120.500 0.128 0.000 2.081 614 R HA -0.185 4.153 4.340 -0.003 0.000 0.235 614 R C 2.056 178.342 176.300 -0.022 0.000 1.131 614 R CA 2.060 58.194 56.100 0.056 0.000 0.960 614 R CB -0.312 30.049 30.300 0.102 0.000 0.856 614 R HN 0.490 nan 8.270 nan 0.000 0.436 615 E N 0.162 120.363 120.200 0.002 0.000 2.031 615 E HA -0.232 4.117 4.350 -0.003 0.000 0.193 615 E C 2.290 178.799 176.600 -0.151 0.000 0.994 615 E CA 1.677 58.070 56.400 -0.012 0.000 0.800 615 E CB -0.271 29.481 29.700 0.087 0.000 0.752 615 E HN 0.654 nan 8.360 nan 0.000 0.447 616 C N 0.784 119.962 119.300 -0.203 0.000 2.432 616 C HA 0.081 4.540 4.460 -0.003 0.000 0.282 616 C C 2.419 177.224 174.990 -0.309 0.000 1.388 616 C CA 0.037 58.877 59.018 -0.295 0.000 1.777 616 C CB -0.692 26.881 27.740 -0.277 0.000 1.882 616 C HN 0.250 nan 8.230 nan 0.000 0.520 617 K N 1.807 122.026 120.400 -0.301 0.000 2.031 617 K HA 0.052 4.370 4.320 -0.003 0.000 0.205 617 K C 2.407 178.897 176.600 -0.183 0.000 1.049 617 K CA 1.343 57.456 56.287 -0.290 0.000 0.939 617 K CB -0.416 31.900 32.500 -0.307 0.000 0.717 617 K HN 0.457 nan 8.250 nan 0.000 0.438 618 A N 1.138 123.879 122.820 -0.132 0.000 1.908 618 A HA -0.144 4.174 4.320 -0.003 0.000 0.218 618 A C 2.249 179.778 177.584 -0.091 0.000 1.181 618 A CA 1.992 53.983 52.037 -0.077 0.000 0.627 618 A CB -0.965 18.018 19.000 -0.027 0.000 0.818 618 A HN 0.313 nan 8.150 nan 0.000 0.445 619 V N -2.098 117.724 119.914 -0.153 0.000 2.343 619 V HA -0.215 3.903 4.120 -0.003 0.000 0.247 619 V C 2.186 178.204 176.094 -0.128 0.000 1.051 619 V CA 2.095 64.298 62.300 -0.162 0.000 1.036 619 V CB -0.958 30.667 31.823 -0.330 0.000 0.654 619 V HN 0.520 nan 8.190 nan 0.000 0.451 620 R N 0.216 120.622 120.500 -0.155 0.000 2.153 620 R HA -0.015 4.324 4.340 -0.003 0.000 0.218 620 R C 2.044 178.299 176.300 -0.075 0.000 1.072 620 R CA 1.302 57.333 56.100 -0.116 0.000 0.990 620 R CB -0.323 29.869 30.300 -0.180 0.000 0.889 620 R HN 0.585 nan 8.270 nan 0.000 0.452 621 D N -0.452 119.900 120.400 -0.080 0.000 2.137 621 D HA -0.052 4.587 4.640 -0.003 0.000 0.202 621 D C 1.518 177.799 176.300 -0.032 0.000 0.970 621 D CA 1.276 55.246 54.000 -0.049 0.000 0.837 621 D CB 0.232 41.004 40.800 -0.046 0.000 0.981 621 D HN 0.033 nan 8.370 nan 0.000 0.475 622 S N -1.472 114.209 115.700 -0.031 0.000 3.799 622 S HA 0.346 4.814 4.470 -0.003 0.000 0.170 622 S C -0.517 174.056 174.600 -0.044 0.000 0.840 622 S CA -0.118 58.069 58.200 -0.022 0.000 1.025 622 S CB 0.546 63.766 63.200 0.033 0.000 1.455 622 S HN -0.017 nan 8.310 nan 0.000 0.804 623 V N 0.536 120.441 119.914 -0.016 0.000 3.098 623 V HA 0.730 4.848 4.120 -0.003 0.000 0.294 623 V C -0.822 175.292 176.094 0.034 0.000 1.351 623 V CA 0.361 62.656 62.300 -0.008 0.000 0.999 623 V CB 1.351 33.151 31.823 -0.038 0.000 1.104 623 V HN 0.843 nan 8.190 nan 0.000 0.438 624 G N 5.071 113.921 108.800 0.083 0.000 2.642 624 G HA2 0.793 4.752 3.960 -0.003 0.000 0.293 624 G HA3 0.793 4.752 3.960 -0.003 0.000 0.293 624 G C -1.084 173.965 174.900 0.249 0.000 1.341 624 G CA -0.690 44.533 45.100 0.205 0.000 0.916 624 G HN 1.282 nan 8.290 nan 0.000 0.474 625 M N 0.127 119.812 119.600 0.141 0.000 2.464 625 M HA 0.868 5.346 4.480 -0.003 0.000 0.308 625 M C -1.933 174.208 176.300 -0.265 0.000 1.127 625 M CA -1.062 54.162 55.300 -0.127 0.000 0.913 625 M CB 2.492 34.806 32.600 -0.477 0.000 1.689 625 M HN 0.490 nan 8.290 nan 0.000 0.445 626 L N 1.921 123.019 121.223 -0.208 0.000 2.401 626 L HA 0.610 4.948 4.340 -0.003 0.000 0.266 626 L C -1.534 175.475 176.870 0.233 0.000 0.991 626 L CA 0.038 54.761 54.840 -0.194 0.000 0.818 626 L CB 2.185 43.894 42.059 -0.583 0.000 1.321 626 L HN 0.831 nan 8.230 nan 0.000 0.413 627 D N 3.708 124.250 120.400 0.237 0.000 2.411 627 D HA 0.479 5.118 4.640 -0.003 0.000 0.225 627 D C 0.024 176.344 176.300 0.034 0.000 1.156 627 D CA 0.199 54.290 54.000 0.151 0.000 0.874 627 D CB 1.379 42.171 40.800 -0.014 0.000 1.034 627 D HN 0.688 nan 8.370 nan 0.000 0.502 628 A N 2.880 125.721 122.820 0.035 0.000 2.610 628 A HA 0.172 4.491 4.320 -0.003 0.000 0.286 628 A C 1.655 179.194 177.584 -0.074 0.000 1.306 628 A CA -0.357 51.664 52.037 -0.025 0.000 0.942 628 A CB 0.002 19.008 19.000 0.010 0.000 1.112 628 A HN 0.427 nan 8.150 nan 0.000 0.527 629 S N 0.027 115.668 115.700 -0.098 0.000 2.507 629 S HA -0.120 4.349 4.470 -0.003 0.000 0.235 629 S C 2.013 176.426 174.600 -0.313 0.000 0.988 629 S CA 1.735 59.855 58.200 -0.133 0.000 0.944 629 S CB -0.327 62.821 63.200 -0.087 0.000 0.762 629 S HN 0.888 nan 8.310 nan 0.000 0.526 630 T N -0.082 114.155 114.554 -0.528 0.000 3.148 630 T HA 0.256 4.604 4.350 -0.003 0.000 0.253 630 T C 0.512 174.953 174.700 -0.432 0.000 1.134 630 T CA -0.117 61.420 62.100 -0.939 0.000 1.051 630 T CB -0.508 67.514 68.868 -1.410 0.000 0.959 630 T HN 0.175 nan 8.240 nan 0.000 0.525 631 L N 2.044 123.136 121.223 -0.218 0.000 2.485 631 L HA 0.401 4.740 4.340 -0.003 0.000 0.275 631 L C 1.283 178.124 176.870 -0.048 0.000 1.207 631 L CA -0.444 54.340 54.840 -0.093 0.000 0.855 631 L CB 0.166 42.214 42.059 -0.018 0.000 1.114 631 L HN 0.330 nan 8.230 nan 0.000 0.485 632 G N 2.877 111.666 108.800 -0.019 0.000 2.406 632 G HA2 0.346 4.305 3.960 -0.003 0.000 0.251 632 G HA3 0.346 4.305 3.960 -0.003 0.000 0.251 632 G C -0.594 174.270 174.900 -0.059 0.000 1.271 632 G CA -0.447 44.651 45.100 -0.003 0.000 0.859 632 G HN 0.610 nan 8.290 nan 0.000 0.540 633 K N 1.765 122.118 120.400 -0.077 0.000 2.471 633 K HA 0.457 4.775 4.320 -0.003 0.000 0.252 633 K C -1.010 175.531 176.600 -0.098 0.000 0.938 633 K CA -0.513 55.672 56.287 -0.171 0.000 0.796 633 K CB 2.591 34.957 32.500 -0.223 0.000 1.161 633 K HN 0.364 nan 8.250 nan 0.000 0.425 634 I N 2.097 122.613 120.570 -0.090 0.000 2.447 634 I HA 0.186 4.354 4.170 -0.003 0.000 0.287 634 I C -0.516 175.596 176.117 -0.008 0.000 1.023 634 I CA -0.859 60.427 61.300 -0.023 0.000 1.083 634 I CB 1.974 39.986 38.000 0.021 0.000 1.245 634 I HN 0.537 nan 8.210 nan 0.000 0.434 635 E N 7.234 127.435 120.200 0.002 0.000 2.194 635 E HA 0.497 4.845 4.350 -0.003 0.000 0.284 635 E C -1.197 175.441 176.600 0.063 0.000 1.035 635 E CA -0.051 56.362 56.400 0.023 0.000 0.836 635 E CB 0.774 30.476 29.700 0.004 0.000 1.070 635 E HN 0.423 nan 8.360 nan 0.000 0.401 636 I N 4.895 125.532 120.570 0.113 0.000 2.436 636 I HA 0.479 4.647 4.170 -0.003 0.000 0.289 636 I C -0.144 176.070 176.117 0.162 0.000 1.010 636 I CA -0.839 60.552 61.300 0.151 0.000 1.098 636 I CB 1.733 39.862 38.000 0.215 0.000 1.266 636 I HN 0.382 nan 8.210 nan 0.000 0.434 637 R N 4.474 125.042 120.500 0.113 0.000 2.574 637 R HA 0.832 5.171 4.340 -0.003 0.000 0.288 637 R C -0.999 175.347 176.300 0.077 0.000 1.004 637 R CA -0.490 55.663 56.100 0.090 0.000 0.895 637 R CB 2.309 32.638 30.300 0.048 0.000 1.191 637 R HN 0.890 nan 8.270 nan 0.000 0.444 638 G N 2.065 110.915 108.800 0.084 0.000 2.358 638 G HA2 0.043 4.002 3.960 -0.003 0.000 0.301 638 G HA3 0.043 4.002 3.960 -0.003 0.000 0.301 638 G C -0.565 174.383 174.900 0.079 0.000 1.539 638 G CA -0.792 44.346 45.100 0.063 0.000 0.893 638 G HN 0.556 nan 8.290 nan 0.000 0.636 639 K N -0.526 119.906 120.400 0.054 0.000 2.211 639 K HA -0.022 4.297 4.320 -0.003 0.000 0.203 639 K C 0.707 177.353 176.600 0.076 0.000 1.050 639 K CA 1.302 57.623 56.287 0.057 0.000 0.945 639 K CB 0.180 32.701 32.500 0.035 0.000 0.732 639 K HN 0.419 nan 8.250 nan 0.000 0.451 640 D N 0.134 120.577 120.400 0.072 0.000 2.358 640 D HA 0.109 4.748 4.640 -0.003 0.000 0.224 640 D C 1.246 177.633 176.300 0.145 0.000 1.123 640 D CA 0.091 54.139 54.000 0.079 0.000 0.833 640 D CB 0.588 41.406 40.800 0.030 0.000 0.946 640 D HN 0.109 nan 8.370 nan 0.000 0.505 641 A N 1.424 124.363 122.820 0.198 0.000 1.865 641 A HA -0.159 4.159 4.320 -0.003 0.000 0.217 641 A C 2.349 180.089 177.584 0.261 0.000 1.191 641 A CA 2.089 54.305 52.037 0.298 0.000 0.623 641 A CB -0.549 18.710 19.000 0.431 0.000 0.826 641 A HN 0.274 nan 8.150 nan 0.000 0.444 642 A N -0.527 122.496 122.820 0.337 0.000 1.902 642 A HA -0.147 4.172 4.320 -0.003 0.000 0.217 642 A C 1.981 179.617 177.584 0.087 0.000 1.181 642 A CA 2.228 54.388 52.037 0.204 0.000 0.623 642 A CB -0.524 18.687 19.000 0.352 0.000 0.818 642 A HN 0.582 nan 8.150 nan 0.000 0.443 643 E N -0.626 119.636 120.200 0.104 0.000 2.077 643 E HA -0.201 4.148 4.350 -0.003 0.000 0.193 643 E C 1.630 178.243 176.600 0.023 0.000 0.989 643 E CA 1.567 57.992 56.400 0.042 0.000 0.800 643 E CB -0.536 29.177 29.700 0.022 0.000 0.746 643 E HN 0.512 nan 8.360 nan 0.000 0.452 644 F N 0.293 120.183 119.950 -0.100 0.000 2.134 644 F HA -0.090 4.435 4.527 -0.002 0.000 0.299 644 F C 1.743 177.466 175.800 -0.129 0.000 1.097 644 F CA 1.070 58.995 58.000 -0.125 0.000 1.264 644 F CB -0.557 38.417 39.000 -0.044 0.000 1.001 644 F HN 0.103 nan 8.300 nan 0.000 0.479 645 L N 0.716 121.793 121.223 -0.243 0.000 2.127 645 L HA -0.242 4.097 4.340 -0.003 0.000 0.211 645 L C 2.079 178.827 176.870 -0.204 0.000 1.089 645 L CA 1.498 56.112 54.840 -0.378 0.000 0.757 645 L CB -1.337 40.428 42.059 -0.491 0.000 0.899 645 L HN 0.117 nan 8.230 nan 0.000 0.434 646 N N -0.556 118.089 118.700 -0.091 0.000 2.309 646 N HA -0.102 4.636 4.740 -0.003 0.000 0.182 646 N C 1.851 177.343 175.510 -0.030 0.000 1.018 646 N CA 0.852 53.906 53.050 0.006 0.000 0.876 646 N CB -0.045 38.458 38.487 0.026 0.000 0.972 646 N HN 0.349 nan 8.380 nan 0.000 0.434 647 R N -0.700 119.702 120.500 -0.164 0.000 2.127 647 R HA 0.192 4.530 4.340 -0.003 0.000 0.217 647 R C 1.497 177.677 176.300 -0.200 0.000 1.074 647 R CA 0.637 56.633 56.100 -0.173 0.000 0.991 647 R CB 0.047 30.134 30.300 -0.355 0.000 0.895 647 R HN 0.184 nan 8.270 nan 0.000 0.450 648 M N -0.525 118.827 119.600 -0.413 0.000 2.394 648 M HA 0.082 4.560 4.480 -0.003 0.000 0.266 648 M C 0.208 176.282 176.300 -0.376 0.000 1.098 648 M CA 0.942 55.955 55.300 -0.478 0.000 1.149 648 M CB -0.144 31.969 32.600 -0.811 0.000 1.369 648 M HN -0.090 nan 8.290 nan 0.000 0.450 649 Y N 0.633 120.756 120.300 -0.295 0.000 2.403 649 Y HA 0.147 4.695 4.550 -0.003 0.000 0.323 649 Y C 1.993 177.580 175.900 -0.522 0.000 1.226 649 Y CA -0.267 57.648 58.100 -0.309 0.000 1.235 649 Y CB 0.771 39.085 38.460 -0.243 0.000 1.248 649 Y HN 0.205 nan 8.280 nan 0.000 0.489 650 T N -2.405 111.835 114.554 -0.523 0.000 2.951 650 T HA -0.036 4.313 4.350 -0.003 0.000 0.268 650 T C 0.353 174.628 174.700 -0.708 0.000 1.073 650 T CA 0.553 61.831 62.100 -1.370 0.000 1.134 650 T CB -0.391 68.015 68.868 -0.769 0.000 0.884 650 T HN 0.617 nan 8.240 nan 0.000 0.479 651 N N 1.170 119.721 118.700 -0.248 0.000 2.459 651 N HA 0.465 5.203 4.740 -0.003 0.000 0.288 651 N C 0.092 175.593 175.510 -0.014 0.000 1.186 651 N CA -0.634 52.348 53.050 -0.113 0.000 0.917 651 N CB 1.157 39.558 38.487 -0.144 0.000 1.219 651 N HN 0.228 nan 8.380 nan 0.000 0.525 652 G N -0.896 107.865 108.800 -0.065 0.000 2.483 652 G HA2 0.318 4.276 3.960 -0.003 0.000 0.248 652 G HA3 0.318 4.276 3.960 -0.003 0.000 0.248 652 G C -0.877 173.899 174.900 -0.207 0.000 1.248 652 G CA -0.246 44.837 45.100 -0.029 0.000 0.838 652 G HN 0.657 nan 8.290 nan 0.000 0.566 653 Y N -0.435 119.831 120.300 -0.056 0.000 2.666 653 Y HA 0.083 4.632 4.550 -0.002 0.000 0.260 653 Y C 2.635 178.564 175.900 0.048 0.000 1.089 653 Y CA 0.404 58.468 58.100 -0.061 0.000 1.246 653 Y CB 0.775 39.105 38.460 -0.218 0.000 1.353 653 Y HN 0.681 nan 8.280 nan 0.000 0.558 654 T N -2.499 112.150 114.554 0.158 0.000 2.951 654 T HA -0.067 4.281 4.350 -0.003 0.000 0.268 654 T C 1.597 176.376 174.700 0.131 0.000 1.073 654 T CA 0.910 63.106 62.100 0.160 0.000 1.134 654 T CB 0.063 68.995 68.868 0.106 0.000 0.884 654 T HN -0.060 nan 8.240 nan 0.000 0.479 655 K N 0.629 121.077 120.400 0.079 0.000 2.361 655 K HA 0.311 4.629 4.320 -0.003 0.000 0.196 655 K C 0.736 177.369 176.600 0.056 0.000 1.039 655 K CA -0.258 56.061 56.287 0.052 0.000 1.001 655 K CB -0.612 31.900 32.500 0.019 0.000 0.795 655 K HN 0.365 nan 8.250 nan 0.000 0.495 656 L N 2.718 123.990 121.223 0.080 0.000 2.601 656 L HA -0.068 4.271 4.340 -0.003 0.000 0.277 656 L C -0.074 176.863 176.870 0.110 0.000 1.219 656 L CA 0.676 55.574 54.840 0.096 0.000 0.915 656 L CB 0.131 42.301 42.059 0.185 0.000 1.160 656 L HN -0.040 nan 8.230 nan 0.000 0.494 657 K N 3.860 124.295 120.400 0.059 0.000 2.218 657 K HA 0.317 4.635 4.320 -0.003 0.000 0.276 657 K C -0.579 176.033 176.600 0.021 0.000 1.022 657 K CA -0.886 55.416 56.287 0.026 0.000 0.946 657 K CB 1.132 33.626 32.500 -0.010 0.000 1.000 657 K HN 0.450 nan 8.250 nan 0.000 0.468 658 V N 1.983 121.889 119.914 -0.013 0.000 2.694 658 V HA 0.057 4.175 4.120 -0.003 0.000 0.306 658 V C 1.363 177.374 176.094 -0.139 0.000 1.054 658 V CA 1.556 63.838 62.300 -0.030 0.000 1.161 658 V CB 0.526 32.318 31.823 -0.052 0.000 0.916 658 V HN 1.154 nan 8.190 nan 0.000 0.490 659 G N 3.907 112.539 108.800 -0.280 0.000 2.157 659 G HA2 -0.169 3.790 3.960 -0.003 0.000 0.239 659 G HA3 -0.169 3.790 3.960 -0.003 0.000 0.239 659 G C -0.180 174.286 174.900 -0.723 0.000 0.982 659 G CA 0.050 44.584 45.100 -0.944 0.000 0.650 659 G HN 0.430 nan 8.290 nan 0.000 0.527 660 M N -0.108 119.439 119.600 -0.088 0.000 2.644 660 M HA 0.710 5.189 4.480 -0.003 0.000 0.304 660 M C 0.564 177.071 176.300 0.345 0.000 1.215 660 M CA -0.177 55.184 55.300 0.103 0.000 0.871 660 M CB 1.591 34.210 32.600 0.031 0.000 1.740 660 M HN 0.429 nan 8.290 nan 0.000 0.464 661 G N 0.595 109.523 108.800 0.213 0.000 2.685 661 G HA2 0.868 4.827 3.960 -0.003 0.000 0.298 661 G HA3 0.868 4.827 3.960 -0.003 0.000 0.298 661 G C -1.524 173.411 174.900 0.059 0.000 1.277 661 G CA -0.604 44.592 45.100 0.160 0.000 0.986 661 G HN 0.667 nan 8.290 nan 0.000 0.487 662 R N -0.687 119.852 120.500 0.065 0.000 2.563 662 R HA 0.287 4.626 4.340 -0.003 0.000 0.262 662 R C -1.997 174.338 176.300 0.058 0.000 1.128 662 R CA -0.797 55.309 56.100 0.010 0.000 0.969 662 R CB 1.558 31.774 30.300 -0.140 0.000 1.251 662 R HN 0.619 nan 8.270 nan 0.000 0.442 663 Y N 2.674 122.949 120.300 -0.042 0.000 2.359 663 Y HA 0.570 5.118 4.550 -0.003 0.000 0.330 663 Y C -0.156 175.733 175.900 -0.018 0.000 1.143 663 Y CA 1.040 59.132 58.100 -0.015 0.000 1.318 663 Y CB 1.358 39.844 38.460 0.045 0.000 1.234 663 Y HN 0.714 nan 8.280 nan 0.000 0.522 664 G N 3.573 111.871 108.800 -0.837 0.000 2.690 664 G HA2 0.596 4.554 3.960 -0.003 0.000 0.291 664 G HA3 0.596 4.554 3.960 -0.003 0.000 0.291 664 G C -2.283 172.240 174.900 -0.629 0.000 1.403 664 G CA -0.871 43.809 45.100 -0.700 0.000 0.864 664 G HN 0.637 nan 8.290 nan 0.000 0.480 665 V N 1.063 120.841 119.914 -0.226 0.000 2.656 665 V HA 0.571 4.690 4.120 -0.003 0.000 0.307 665 V C -0.106 176.006 176.094 0.031 0.000 1.051 665 V CA -0.517 61.715 62.300 -0.112 0.000 0.893 665 V CB 1.730 33.465 31.823 -0.146 0.000 0.999 665 V HN 0.742 nan 8.190 nan 0.000 0.426 666 M N 3.700 123.280 119.600 -0.032 0.000 2.336 666 M HA 0.571 5.050 4.480 -0.003 0.000 0.342 666 M C -0.964 175.368 176.300 0.053 0.000 1.128 666 M CA -0.128 55.132 55.300 -0.066 0.000 1.016 666 M CB 1.768 34.278 32.600 -0.150 0.000 1.665 666 M HN 0.603 nan 8.290 nan 0.000 0.445 667 C N 1.726 121.079 119.300 0.088 0.000 2.667 667 C HA 0.621 5.079 4.460 -0.003 0.000 0.323 667 C C 0.241 175.254 174.990 0.039 0.000 1.214 667 C CA -1.238 57.846 59.018 0.110 0.000 1.721 667 C CB 2.073 29.917 27.740 0.173 0.000 2.275 667 C HN 0.704 nan 8.230 nan 0.000 0.491 668 K N 0.797 121.150 120.400 -0.079 0.000 2.117 668 K HA 0.378 4.697 4.320 -0.003 0.000 0.240 668 K C 1.092 177.761 176.600 0.114 0.000 1.031 668 K CA -0.141 56.046 56.287 -0.168 0.000 0.909 668 K CB 0.327 32.641 32.500 -0.309 0.000 1.097 668 K HN 0.774 nan 8.250 nan 0.000 0.492 669 A N 1.081 124.061 122.820 0.268 0.000 2.076 669 A HA -0.186 4.132 4.320 -0.003 0.000 0.220 669 A C 1.161 178.790 177.584 0.076 0.000 1.160 669 A CA 2.142 54.304 52.037 0.208 0.000 0.653 669 A CB -0.568 18.601 19.000 0.281 0.000 0.801 669 A HN 0.745 nan 8.150 nan 0.000 0.455 670 D N -2.137 118.300 120.400 0.061 0.000 2.349 670 D HA 0.233 4.872 4.640 -0.003 0.000 0.224 670 D C 1.210 177.544 176.300 0.057 0.000 1.029 670 D CA 0.942 54.970 54.000 0.047 0.000 0.879 670 D CB -0.687 40.142 40.800 0.048 0.000 0.906 670 D HN 0.784 nan 8.370 nan 0.000 0.528 671 G N -0.253 108.568 108.800 0.035 0.000 2.179 671 G HA2 -0.259 3.700 3.960 -0.003 0.000 0.260 671 G HA3 -0.259 3.700 3.960 -0.003 0.000 0.260 671 G C 0.145 175.223 174.900 0.296 0.000 0.977 671 G CA 0.371 45.531 45.100 0.100 0.000 0.641 671 G HN 0.234 nan 8.290 nan 0.000 0.533 672 M N 0.746 120.451 119.600 0.174 0.000 2.249 672 M HA 0.454 4.932 4.480 -0.003 0.000 0.351 672 M C 1.158 177.547 176.300 0.149 0.000 1.180 672 M CA -1.279 54.119 55.300 0.163 0.000 1.127 672 M CB 0.637 33.304 32.600 0.112 0.000 1.546 672 M HN 0.114 nan 8.290 nan 0.000 0.461 673 I N 2.987 123.647 120.570 0.150 0.000 2.742 673 I HA -0.199 3.970 4.170 -0.003 0.000 0.287 673 I C 0.858 177.063 176.117 0.146 0.000 1.186 673 I CA 0.314 61.691 61.300 0.130 0.000 1.417 673 I CB 0.058 38.122 38.000 0.107 0.000 1.377 673 I HN 0.638 nan 8.210 nan 0.000 0.556 674 F N 5.873 125.774 119.950 -0.082 0.000 2.399 674 F HA 0.265 4.791 4.527 -0.003 0.000 0.282 674 F C 0.578 176.309 175.800 -0.116 0.000 1.027 674 F CA 0.520 58.425 58.000 -0.157 0.000 1.333 674 F CB 0.279 39.075 39.000 -0.341 0.000 1.132 674 F HN 0.502 nan 8.300 nan 0.000 0.590 675 D N -0.962 119.211 120.400 -0.379 0.000 2.692 675 D HA 0.318 4.957 4.640 -0.003 0.000 0.303 675 D C -2.025 174.160 176.300 -0.193 0.000 1.278 675 D CA -0.296 53.450 54.000 -0.424 0.000 0.852 675 D CB 1.802 42.151 40.800 -0.752 0.000 1.375 675 D HN 0.208 nan 8.370 nan 0.000 0.453 676 D N -0.420 119.898 120.400 -0.137 0.000 2.692 676 D HA 0.602 5.241 4.640 -0.003 0.000 0.290 676 D C -0.205 176.060 176.300 -0.058 0.000 1.281 676 D CA -0.392 53.548 54.000 -0.100 0.000 0.804 676 D CB 1.016 41.794 40.800 -0.036 0.000 1.331 676 D HN 0.783 nan 8.370 nan 0.000 0.432 677 G N -1.417 107.318 108.800 -0.108 0.000 2.356 677 G HA2 0.413 4.371 3.960 -0.003 0.000 0.288 677 G HA3 0.413 4.371 3.960 -0.003 0.000 0.288 677 G C -1.868 173.030 174.900 -0.004 0.000 1.302 677 G CA -0.277 44.830 45.100 0.011 0.000 0.887 677 G HN 0.693 nan 8.290 nan 0.000 0.521 678 V N 0.416 120.344 119.914 0.023 0.000 2.483 678 V HA 0.722 4.840 4.120 -0.003 0.000 0.295 678 V C 0.152 176.287 176.094 0.068 0.000 1.035 678 V CA -0.368 61.930 62.300 -0.003 0.000 0.896 678 V CB 1.599 33.355 31.823 -0.111 0.000 0.986 678 V HN 0.850 nan 8.190 nan 0.000 0.447 679 T N 6.231 120.834 114.554 0.081 0.000 2.792 679 T HA 0.610 4.958 4.350 -0.003 0.000 0.280 679 T C -0.364 174.471 174.700 0.225 0.000 0.990 679 T CA -0.317 61.874 62.100 0.151 0.000 0.960 679 T CB 0.829 69.679 68.868 -0.031 0.000 0.939 679 T HN 0.349 nan 8.240 nan 0.000 0.439 680 L N 2.860 124.209 121.223 0.210 0.000 2.325 680 L HA 0.586 4.924 4.340 -0.003 0.000 0.279 680 L C 0.673 177.711 176.870 0.280 0.000 1.054 680 L CA -0.953 53.969 54.840 0.136 0.000 0.804 680 L CB 1.173 43.035 42.059 -0.329 0.000 1.200 680 L HN 0.416 nan 8.230 nan 0.000 0.436 681 R N 2.537 123.251 120.500 0.355 0.000 2.280 681 R HA 0.319 4.657 4.340 -0.003 0.000 0.326 681 R C 0.551 176.953 176.300 0.170 0.000 1.080 681 R CA -0.297 55.850 56.100 0.079 0.000 1.002 681 R CB 0.460 30.807 30.300 0.080 0.000 1.136 681 R HN 0.733 nan 8.270 nan 0.000 0.509 682 L N 2.436 123.673 121.223 0.023 0.000 2.313 682 L HA 0.220 4.559 4.340 -0.003 0.000 0.214 682 L C 0.827 177.716 176.870 0.032 0.000 1.119 682 L CA 0.674 55.592 54.840 0.130 0.000 0.809 682 L CB -0.158 41.913 42.059 0.021 0.000 0.933 682 L HN 0.665 nan 8.230 nan 0.000 0.449 683 A N -1.023 121.724 122.820 -0.122 0.000 2.511 683 A HA 0.220 4.538 4.320 -0.003 0.000 0.293 683 A C 0.489 177.939 177.584 -0.224 0.000 1.098 683 A CA -0.449 51.517 52.037 -0.119 0.000 0.643 683 A CB 0.688 19.642 19.000 -0.077 0.000 1.302 683 A HN -0.016 nan 8.150 nan 0.000 0.446 684 E N -0.741 119.379 120.200 -0.134 0.000 2.204 684 E HA -0.163 4.186 4.350 -0.003 0.000 0.194 684 E C -0.261 176.268 176.600 -0.118 0.000 0.989 684 E CA 1.567 57.900 56.400 -0.112 0.000 0.824 684 E CB 0.090 29.770 29.700 -0.033 0.000 0.756 684 E HN 0.517 nan 8.360 nan 0.000 0.477 685 D N -0.235 120.103 120.400 -0.103 0.000 2.538 685 D HA 0.189 4.827 4.640 -0.003 0.000 0.231 685 D C -0.534 175.740 176.300 -0.044 0.000 1.229 685 D CA -0.000 53.984 54.000 -0.025 0.000 0.828 685 D CB 0.491 41.301 40.800 0.017 0.000 1.035 685 D HN -0.069 nan 8.370 nan 0.000 0.495 686 R N 0.438 120.810 120.500 -0.214 0.000 2.538 686 R HA 0.466 4.804 4.340 -0.003 0.000 0.292 686 R C -1.280 174.823 176.300 -0.329 0.000 1.008 686 R CA -0.509 55.506 56.100 -0.142 0.000 0.896 686 R CB 1.543 31.794 30.300 -0.081 0.000 1.187 686 R HN -0.138 nan 8.270 nan 0.000 0.440 687 F N 1.840 121.823 119.950 0.055 0.000 2.603 687 F HA 0.514 5.039 4.527 -0.003 0.000 0.317 687 F C -0.540 175.268 175.800 0.013 0.000 1.066 687 F CA -1.027 57.003 58.000 0.049 0.000 0.941 687 F CB 1.706 40.744 39.000 0.062 0.000 1.291 687 F HN 0.202 nan 8.300 nan 0.000 0.472 688 L N 3.242 124.591 121.223 0.209 0.000 2.415 688 L HA 0.556 4.894 4.340 -0.003 0.000 0.268 688 L C -1.230 175.688 176.870 0.080 0.000 0.984 688 L CA -0.400 54.476 54.840 0.060 0.000 0.853 688 L CB 1.099 43.134 42.059 -0.041 0.000 1.215 688 L HN 0.577 nan 8.230 nan 0.000 0.419 689 M N 3.940 123.561 119.600 0.035 0.000 2.180 689 M HA 0.327 4.806 4.480 -0.003 0.000 0.358 689 M C -0.989 175.280 176.300 -0.052 0.000 1.233 689 M CA -0.166 55.169 55.300 0.060 0.000 1.114 689 M CB 0.745 33.378 32.600 0.054 0.000 1.594 689 M HN 0.567 nan 8.290 nan 0.000 0.467 690 H N 0.700 119.769 119.070 -0.003 0.000 2.481 690 H HA 0.471 5.026 4.556 -0.002 0.000 0.333 690 H C 0.105 175.412 175.328 -0.035 0.000 1.066 690 H CA -0.447 55.585 56.048 -0.026 0.000 1.209 690 H CB 1.250 30.986 29.762 -0.042 0.000 1.445 690 H HN 0.626 nan 8.280 nan 0.000 0.488 691 T N -0.817 113.758 114.554 0.035 0.000 2.841 691 T HA 0.463 4.812 4.350 -0.003 0.000 0.276 691 T C 0.407 175.085 174.700 -0.038 0.000 1.003 691 T CA -0.812 61.273 62.100 -0.024 0.000 0.995 691 T CB 0.989 69.821 68.868 -0.059 0.000 1.260 691 T HN 0.582 nan 8.240 nan 0.000 0.581 692 T N -1.089 113.423 114.554 -0.070 0.000 2.802 692 T HA 0.230 4.578 4.350 -0.003 0.000 0.305 692 T C 1.384 176.068 174.700 -0.027 0.000 1.053 692 T CA 0.015 62.082 62.100 -0.055 0.000 1.058 692 T CB -0.087 68.747 68.868 -0.058 0.000 0.988 692 T HN 0.638 nan 8.240 nan 0.000 0.539 693 T N 1.261 115.805 114.554 -0.017 0.000 2.708 693 T HA 0.090 4.438 4.350 -0.003 0.000 0.266 693 T C 1.652 176.409 174.700 0.094 0.000 1.037 693 T CA 1.424 63.523 62.100 -0.002 0.000 1.146 693 T CB -0.750 68.080 68.868 -0.064 0.000 0.865 693 T HN 0.897 nan 8.240 nan 0.000 0.435 694 G N -0.153 108.694 108.800 0.078 0.000 3.709 694 G HA2 0.473 4.431 3.960 -0.003 0.000 0.272 694 G HA3 0.473 4.431 3.960 -0.003 0.000 0.272 694 G C 0.666 175.589 174.900 0.038 0.000 1.259 694 G CA 0.120 45.275 45.100 0.091 0.000 1.512 694 G HN 0.554 nan 8.290 nan 0.000 0.625 695 G N -1.158 107.651 108.800 0.015 0.000 3.601 695 G HA2 0.325 4.283 3.960 -0.003 0.000 0.192 695 G HA3 0.325 4.283 3.960 -0.003 0.000 0.192 695 G C 1.284 176.165 174.900 -0.031 0.000 1.184 695 G CA 0.898 45.967 45.100 -0.050 0.000 0.891 695 G HN 0.479 nan 8.290 nan 0.000 0.706 696 A N 1.655 124.485 122.820 0.016 0.000 1.859 696 A HA 0.218 4.537 4.320 -0.003 0.000 0.217 696 A C 2.790 180.411 177.584 0.061 0.000 1.198 696 A CA 2.882 54.938 52.037 0.032 0.000 0.629 696 A CB -1.025 18.009 19.000 0.056 0.000 0.830 696 A HN 1.175 nan 8.150 nan 0.000 0.446 697 A N -0.097 122.767 122.820 0.073 0.000 1.892 697 A HA -0.257 4.061 4.320 -0.003 0.000 0.218 697 A C 1.784 179.440 177.584 0.120 0.000 1.188 697 A CA 2.109 54.196 52.037 0.082 0.000 0.631 697 A CB -0.775 18.264 19.000 0.065 0.000 0.822 697 A HN 0.544 nan 8.150 nan 0.000 0.447 698 D N -0.354 120.129 120.400 0.137 0.000 2.117 698 D HA -0.094 4.545 4.640 -0.003 0.000 0.197 698 D C 2.090 178.606 176.300 0.360 0.000 0.987 698 D CA 1.467 55.610 54.000 0.238 0.000 0.829 698 D CB -0.522 40.440 40.800 0.269 0.000 0.961 698 D HN 0.247 nan 8.370 nan 0.000 0.460 699 V N 1.250 121.302 119.914 0.229 0.000 2.343 699 V HA -0.205 3.913 4.120 -0.003 0.000 0.247 699 V C 2.472 178.753 176.094 0.312 0.000 1.051 699 V CA 0.997 63.454 62.300 0.262 0.000 1.036 699 V CB -0.420 31.414 31.823 0.019 0.000 0.654 699 V HN 0.118 nan 8.190 nan 0.000 0.451 700 L N 0.387 121.732 121.223 0.203 0.000 2.046 700 L HA -0.155 4.183 4.340 -0.003 0.000 0.208 700 L C 2.097 179.091 176.870 0.207 0.000 1.077 700 L CA 2.034 56.981 54.840 0.177 0.000 0.747 700 L CB -0.916 41.210 42.059 0.112 0.000 0.896 700 L HN 0.305 nan 8.230 nan 0.000 0.432 701 D N -1.147 119.383 120.400 0.216 0.000 2.144 701 D HA -0.269 4.369 4.640 -0.003 0.000 0.199 701 D C 1.881 178.347 176.300 0.277 0.000 0.984 701 D CA 1.364 55.481 54.000 0.195 0.000 0.834 701 D CB -0.440 40.461 40.800 0.168 0.000 0.955 701 D HN 0.627 nan 8.370 nan 0.000 0.465 702 W N 1.692 123.096 121.300 0.173 0.000 2.355 702 W HA -0.163 4.496 4.660 -0.003 0.000 0.309 702 W C 1.817 178.549 176.519 0.354 0.000 1.206 702 W CA 0.721 58.205 57.345 0.231 0.000 1.284 702 W CB -0.276 29.351 29.460 0.279 0.000 1.145 702 W HN -0.043 nan 8.180 nan 0.000 0.502 703 L N 0.539 121.983 121.223 0.368 0.000 2.017 703 L HA -0.243 4.095 4.340 -0.003 0.000 0.208 703 L C 2.489 179.511 176.870 0.254 0.000 1.073 703 L CA 1.824 56.876 54.840 0.353 0.000 0.745 703 L CB -1.150 41.142 42.059 0.388 0.000 0.894 703 L HN -0.058 nan 8.230 nan 0.000 0.432 704 E N 0.321 120.614 120.200 0.156 0.000 2.153 704 E HA -0.246 4.102 4.350 -0.003 0.000 0.194 704 E C 2.034 178.625 176.600 -0.015 0.000 0.988 704 E CA 1.145 57.578 56.400 0.054 0.000 0.811 704 E CB 0.035 29.765 29.700 0.051 0.000 0.746 704 E HN 0.390 nan 8.360 nan 0.000 0.466 705 E N -1.170 119.007 120.200 -0.038 0.000 2.047 705 E HA -0.168 4.180 4.350 -0.003 0.000 0.191 705 E C 1.631 178.020 176.600 -0.351 0.000 0.987 705 E CA 1.140 57.416 56.400 -0.207 0.000 0.799 705 E CB -0.228 29.305 29.700 -0.279 0.000 0.752 705 E HN 0.357 nan 8.360 nan 0.000 0.449 706 W N 0.982 122.044 121.300 -0.395 0.000 2.363 706 W HA -0.087 4.571 4.660 -0.002 0.000 0.296 706 W C 2.235 178.527 176.519 -0.378 0.000 1.212 706 W CA 0.639 57.658 57.345 -0.543 0.000 1.260 706 W CB -0.349 28.764 29.460 -0.578 0.000 1.131 706 W HN 0.126 nan 8.180 nan 0.000 0.530 707 L N -0.353 120.877 121.223 0.011 0.000 2.056 707 L HA -0.235 4.103 4.340 -0.003 0.000 0.207 707 L C 2.469 179.293 176.870 -0.077 0.000 1.078 707 L CA 1.403 56.206 54.840 -0.060 0.000 0.749 707 L CB -0.865 41.082 42.059 -0.186 0.000 0.901 707 L HN 0.081 nan 8.230 nan 0.000 0.433 708 Q N -0.934 118.801 119.800 -0.110 0.000 2.137 708 Q HA -0.120 4.218 4.340 -0.003 0.000 0.198 708 Q C 2.072 177.984 176.000 -0.146 0.000 0.960 708 Q CA 1.895 57.632 55.803 -0.110 0.000 0.847 708 Q CB 0.086 28.765 28.738 -0.099 0.000 0.915 708 Q HN 0.591 nan 8.270 nan 0.000 0.448 709 T N -2.840 111.575 114.554 -0.232 0.000 3.022 709 T HA 0.142 4.491 4.350 -0.003 0.000 0.250 709 T C 1.281 175.783 174.700 -0.329 0.000 1.060 709 T CA 0.047 61.986 62.100 -0.269 0.000 1.013 709 T CB 0.432 69.104 68.868 -0.326 0.000 0.982 709 T HN -0.011 nan 8.240 nan 0.000 0.508 710 E N -0.028 119.921 120.200 -0.418 0.000 2.444 710 E HA 0.171 4.519 4.350 -0.003 0.000 0.203 710 E C -0.052 176.345 176.600 -0.339 0.000 0.847 710 E CA 0.329 56.401 56.400 -0.547 0.000 1.142 710 E CB 0.477 29.561 29.700 -1.027 0.000 1.125 710 E HN 0.572 nan 8.360 nan 0.000 0.521 711 W N 3.614 124.931 121.300 0.028 0.000 1.602 711 W HA 0.314 4.973 4.660 -0.003 0.000 0.294 711 W C -1.956 174.537 176.519 -0.042 0.000 0.838 711 W CA -2.105 55.248 57.345 0.013 0.000 2.320 711 W CB 0.343 29.834 29.460 0.052 0.000 2.318 711 W HN 0.016 nan 8.180 nan 0.000 0.467 712 P HA -0.192 nan 4.420 nan 0.000 0.228 712 P C 1.224 178.547 177.300 0.039 0.000 1.151 712 P CA 1.655 64.776 63.100 0.034 0.000 0.770 712 P CB 0.238 31.938 31.700 -0.000 0.000 0.786 713 E N 0.226 120.469 120.200 0.072 0.000 2.371 713 E HA -0.013 4.335 4.350 -0.003 0.000 0.194 713 E C 0.794 177.410 176.600 0.028 0.000 1.012 713 E CA 0.020 56.446 56.400 0.044 0.000 0.860 713 E CB -0.877 28.853 29.700 0.050 0.000 0.811 713 E HN 0.313 nan 8.360 nan 0.000 0.502 714 L N 2.606 123.849 121.223 0.033 0.000 2.416 714 L HA 0.094 4.432 4.340 -0.003 0.000 0.272 714 L C 0.305 177.156 176.870 -0.032 0.000 1.161 714 L CA -0.348 54.487 54.840 -0.008 0.000 0.845 714 L CB 0.366 42.408 42.059 -0.030 0.000 1.119 714 L HN -0.091 nan 8.230 nan 0.000 0.464 715 D N 3.747 124.135 120.400 -0.020 0.000 2.470 715 D HA 0.328 4.966 4.640 -0.003 0.000 0.226 715 D C -1.013 175.274 176.300 -0.022 0.000 1.196 715 D CA -0.027 53.964 54.000 -0.016 0.000 0.979 715 D CB 0.381 41.182 40.800 0.003 0.000 1.059 715 D HN 0.087 nan 8.370 nan 0.000 0.515 716 V N 3.044 122.920 119.914 -0.063 0.000 2.668 716 V HA 0.445 4.564 4.120 -0.003 0.000 0.304 716 V C -0.069 175.984 176.094 -0.068 0.000 1.071 716 V CA -0.813 61.442 62.300 -0.075 0.000 0.894 716 V CB 2.219 33.904 31.823 -0.231 0.000 1.008 716 V HN 0.437 nan 8.190 nan 0.000 0.425 717 T N 3.351 117.897 114.554 -0.013 0.000 2.824 717 T HA 0.553 4.902 4.350 -0.003 0.000 0.282 717 T C -0.541 174.173 174.700 0.023 0.000 0.993 717 T CA -0.329 61.768 62.100 -0.005 0.000 0.967 717 T CB 1.294 70.165 68.868 0.004 0.000 0.960 717 T HN 0.732 nan 8.240 nan 0.000 0.441 718 C N 2.289 121.602 119.300 0.021 0.000 2.529 718 C HA 0.937 5.396 4.460 -0.003 0.000 0.329 718 C C 0.218 175.226 174.990 0.031 0.000 1.194 718 C CA -0.599 58.446 59.018 0.045 0.000 1.779 718 C CB 1.560 29.340 27.740 0.068 0.000 2.322 718 C HN 0.925 nan 8.230 nan 0.000 0.500 719 T N 0.945 115.518 114.554 0.031 0.000 3.105 719 T HA 0.296 4.645 4.350 -0.003 0.000 0.321 719 T C -0.660 174.047 174.700 0.011 0.000 1.135 719 T CA -0.259 61.851 62.100 0.016 0.000 1.053 719 T CB 1.619 70.491 68.868 0.007 0.000 1.133 719 T HN 0.750 nan 8.240 nan 0.000 0.463 720 S N 1.591 117.296 115.700 0.009 0.000 2.528 720 S HA 0.373 4.841 4.470 -0.003 0.000 0.277 720 S C 0.966 175.558 174.600 -0.012 0.000 1.297 720 S CA -0.377 57.825 58.200 0.004 0.000 1.052 720 S CB 0.106 63.314 63.200 0.014 0.000 0.917 720 S HN 0.785 nan 8.310 nan 0.000 0.492 721 V N 2.472 122.371 119.914 -0.026 0.000 3.199 721 V HA 0.259 4.378 4.120 -0.003 0.000 0.331 721 V C 1.408 177.480 176.094 -0.036 0.000 1.446 721 V CA 0.161 62.438 62.300 -0.040 0.000 1.120 721 V CB -0.722 31.068 31.823 -0.055 0.000 1.051 721 V HN 0.744 nan 8.190 nan 0.000 0.495 722 T N 1.368 115.916 114.554 -0.010 0.000 2.597 722 T HA -0.192 4.157 4.350 -0.003 0.000 0.267 722 T C 1.690 176.421 174.700 0.052 0.000 1.053 722 T CA 2.528 64.643 62.100 0.024 0.000 1.165 722 T CB -0.224 68.693 68.868 0.082 0.000 0.863 722 T HN 0.608 nan 8.240 nan 0.000 0.427 723 E N 0.684 120.920 120.200 0.059 0.000 2.347 723 E HA -0.083 4.266 4.350 -0.003 0.000 0.196 723 E C 2.214 178.802 176.600 -0.019 0.000 1.008 723 E CA 0.586 57.022 56.400 0.060 0.000 0.852 723 E CB -0.202 29.518 29.700 0.033 0.000 0.783 723 E HN 0.457 nan 8.360 nan 0.000 0.505 724 Q N 0.453 120.219 119.800 -0.057 0.000 2.245 724 Q HA 0.028 4.367 4.340 -0.003 0.000 0.201 724 Q C 0.318 176.251 176.000 -0.112 0.000 0.955 724 Q CA 0.669 56.398 55.803 -0.123 0.000 0.870 724 Q CB 0.272 28.940 28.738 -0.115 0.000 0.945 724 Q HN 0.134 nan 8.270 nan 0.000 0.461 725 L N 1.017 122.207 121.223 -0.055 0.000 2.333 725 L HA 0.739 5.078 4.340 -0.003 0.000 0.280 725 L C -0.485 176.387 176.870 0.002 0.000 1.004 725 L CA -1.025 53.800 54.840 -0.026 0.000 0.820 725 L CB 1.715 43.760 42.059 -0.022 0.000 1.247 725 L HN 0.036 nan 8.230 nan 0.000 0.416 726 A N 2.256 125.093 122.820 0.029 0.000 2.264 726 A HA 0.904 5.223 4.320 -0.003 0.000 0.304 726 A C -0.286 177.335 177.584 0.061 0.000 1.100 726 A CA -0.328 51.736 52.037 0.044 0.000 0.839 726 A CB 1.204 20.250 19.000 0.076 0.000 1.121 726 A HN 0.642 nan 8.150 nan 0.000 0.496 727 T N 0.280 114.874 114.554 0.066 0.000 3.105 727 T HA 0.489 4.838 4.350 -0.003 0.000 0.321 727 T C -1.263 173.514 174.700 0.130 0.000 1.135 727 T CA -0.326 61.827 62.100 0.089 0.000 1.053 727 T CB 1.346 70.256 68.868 0.070 0.000 1.133 727 T HN 0.567 nan 8.240 nan 0.000 0.463 728 V N 2.352 122.355 119.914 0.148 0.000 2.409 728 V HA 0.784 4.902 4.120 -0.003 0.000 0.291 728 V C 0.142 176.301 176.094 0.109 0.000 1.020 728 V CA -0.933 61.475 62.300 0.180 0.000 0.848 728 V CB 1.408 33.330 31.823 0.164 0.000 0.990 728 V HN 1.097 nan 8.190 nan 0.000 0.430 729 A N 4.914 127.794 122.820 0.100 0.000 2.260 729 A HA 0.737 5.055 4.320 -0.003 0.000 0.308 729 A C -0.428 177.205 177.584 0.083 0.000 1.254 729 A CA -0.418 51.675 52.037 0.094 0.000 0.874 729 A CB 0.843 19.906 19.000 0.104 0.000 1.153 729 A HN 0.709 nan 8.150 nan 0.000 0.527 730 V N 4.608 124.584 119.914 0.105 0.000 2.311 730 V HA 0.349 4.467 4.120 -0.003 0.000 0.275 730 V C -0.134 176.051 176.094 0.151 0.000 1.022 730 V CA -0.331 62.026 62.300 0.095 0.000 0.830 730 V CB 0.750 32.610 31.823 0.062 0.000 1.012 730 V HN 0.618 nan 8.190 nan 0.000 0.452 731 V N 3.467 123.479 119.914 0.163 0.000 2.667 731 V HA 1.044 5.162 4.120 -0.003 0.000 0.308 731 V C 0.536 176.671 176.094 0.067 0.000 1.048 731 V CA 0.070 62.451 62.300 0.135 0.000 0.928 731 V CB 1.311 33.250 31.823 0.193 0.000 1.004 731 V HN 1.187 nan 8.190 nan 0.000 0.444 732 G N 4.333 113.149 108.800 0.026 0.000 2.362 732 G HA2 0.067 4.026 3.960 -0.003 0.000 0.656 732 G HA3 0.067 4.026 3.960 -0.003 0.000 0.656 732 G C -2.369 172.517 174.900 -0.024 0.000 1.376 732 G CA -0.121 44.970 45.100 -0.015 0.000 0.971 732 G HN 0.494 nan 8.290 nan 0.000 0.636 733 P HA -0.096 nan 4.420 nan 0.000 0.219 733 P C 1.187 178.427 177.300 -0.100 0.000 1.146 733 P CA 0.893 63.960 63.100 -0.055 0.000 0.808 733 P CB 0.190 31.858 31.700 -0.053 0.000 0.779 734 R N 0.144 120.543 120.500 -0.168 0.000 2.334 734 R HA 0.126 4.465 4.340 -0.003 0.000 0.220 734 R C 2.164 178.262 176.300 -0.338 0.000 0.917 734 R CA 0.473 56.351 56.100 -0.370 0.000 1.073 734 R CB -0.842 29.110 30.300 -0.579 0.000 1.056 734 R HN 0.341 nan 8.270 nan 0.000 0.506 735 S N 0.298 115.929 115.700 -0.115 0.000 2.382 735 S HA -0.164 4.305 4.470 -0.003 0.000 0.228 735 S C 2.043 176.582 174.600 -0.101 0.000 1.027 735 S CA 0.637 58.828 58.200 -0.016 0.000 0.991 735 S CB -0.169 63.154 63.200 0.205 0.000 0.823 735 S HN 0.258 nan 8.310 nan 0.000 0.469 736 R N 1.514 122.004 120.500 -0.016 0.000 2.103 736 R HA -0.149 4.190 4.340 -0.003 0.000 0.242 736 R C 1.639 177.772 176.300 -0.278 0.000 1.142 736 R CA 2.075 58.069 56.100 -0.175 0.000 0.960 736 R CB -0.512 29.798 30.300 0.016 0.000 0.858 736 R HN 0.536 nan 8.270 nan 0.000 0.439 737 D N -0.302 119.940 120.400 -0.263 0.000 2.097 737 D HA -0.135 4.503 4.640 -0.003 0.000 0.195 737 D C 1.978 178.194 176.300 -0.140 0.000 0.989 737 D CA 1.401 55.265 54.000 -0.228 0.000 0.827 737 D CB -0.148 40.373 40.800 -0.465 0.000 0.966 737 D HN 0.128 nan 8.370 nan 0.000 0.456 738 V N 2.177 121.980 119.914 -0.185 0.000 2.332 738 V HA -0.228 3.890 4.120 -0.003 0.000 0.248 738 V C 2.555 178.569 176.094 -0.133 0.000 1.055 738 V CA 1.063 63.317 62.300 -0.077 0.000 1.038 738 V CB -0.339 31.433 31.823 -0.085 0.000 0.651 738 V HN 0.174 nan 8.190 nan 0.000 0.450 739 I N 0.782 121.193 120.570 -0.265 0.000 2.226 739 I HA -0.213 3.955 4.170 -0.003 0.000 0.245 739 I C 2.742 178.731 176.117 -0.213 0.000 1.100 739 I CA 1.901 63.007 61.300 -0.324 0.000 1.374 739 I CB -1.715 35.854 38.000 -0.719 0.000 1.057 739 I HN 0.325 nan 8.210 nan 0.000 0.413 740 A N 0.684 123.389 122.820 -0.192 0.000 1.978 740 A HA -0.228 4.090 4.320 -0.003 0.000 0.220 740 A C 2.332 179.883 177.584 -0.054 0.000 1.170 740 A CA 1.643 53.618 52.037 -0.103 0.000 0.636 740 A CB -0.510 18.445 19.000 -0.074 0.000 0.810 740 A HN 0.395 nan 8.150 nan 0.000 0.448 741 K N -1.276 119.099 120.400 -0.042 0.000 2.305 741 K HA 0.114 4.433 4.320 -0.003 0.000 0.199 741 K C 1.269 177.853 176.600 -0.026 0.000 1.047 741 K CA 0.483 56.759 56.287 -0.018 0.000 0.976 741 K CB -0.061 32.443 32.500 0.007 0.000 0.765 741 K HN 0.330 nan 8.250 nan 0.000 0.474 742 L N -0.135 121.062 121.223 -0.043 0.000 2.307 742 L HA 0.081 4.419 4.340 -0.003 0.000 0.211 742 L C 0.629 177.484 176.870 -0.025 0.000 1.099 742 L CA 0.682 55.501 54.840 -0.035 0.000 0.816 742 L CB 0.264 42.295 42.059 -0.046 0.000 0.952 742 L HN -0.070 nan 8.230 nan 0.000 0.455 743 A N -1.510 121.291 122.820 -0.031 0.000 2.763 743 A HA 0.454 4.772 4.320 -0.003 0.000 0.325 743 A C 1.179 178.755 177.584 -0.013 0.000 1.209 743 A CA 0.142 52.171 52.037 -0.013 0.000 0.764 743 A CB 0.244 19.243 19.000 -0.001 0.000 1.120 743 A HN 0.193 nan 8.150 nan 0.000 0.463 744 S N 1.067 116.761 115.700 -0.009 0.000 2.370 744 S HA -0.195 4.274 4.470 -0.003 0.000 0.226 744 S C 1.661 176.261 174.600 -0.001 0.000 1.033 744 S CA 1.984 60.180 58.200 -0.006 0.000 1.011 744 S CB -0.584 62.614 63.200 -0.003 0.000 0.852 744 S HN 1.434 nan 8.310 nan 0.000 0.457 745 S N 0.934 116.636 115.700 0.003 0.000 2.671 745 S HA 0.358 4.827 4.470 -0.003 0.000 0.220 745 S C 0.390 174.998 174.600 0.013 0.000 0.951 745 S CA -0.612 57.592 58.200 0.007 0.000 0.932 745 S CB -0.407 62.797 63.200 0.006 0.000 0.777 745 S HN 0.456 nan 8.310 nan 0.000 0.508 746 L N 2.905 124.139 121.223 0.018 0.000 2.276 746 L HA 0.438 4.777 4.340 -0.003 0.000 0.286 746 L C -0.592 176.310 176.870 0.053 0.000 1.061 746 L CA 0.157 55.021 54.840 0.041 0.000 0.807 746 L CB 1.091 43.185 42.059 0.058 0.000 1.177 746 L HN 0.147 nan 8.230 nan 0.000 0.429 747 D N 4.302 124.744 120.400 0.071 0.000 2.374 747 D HA 0.062 4.701 4.640 -0.003 0.000 0.240 747 D C 0.911 177.313 176.300 0.171 0.000 1.229 747 D CA -0.115 53.935 54.000 0.084 0.000 0.895 747 D CB 0.938 41.775 40.800 0.061 0.000 1.046 747 D HN 0.464 nan 8.370 nan 0.000 0.498 748 V N 1.794 121.780 119.914 0.120 0.000 3.514 748 V HA 0.128 4.247 4.120 -0.003 0.000 0.301 748 V C 0.902 177.089 176.094 0.155 0.000 1.346 748 V CA -0.325 62.055 62.300 0.133 0.000 1.156 748 V CB -0.995 30.763 31.823 -0.108 0.000 1.029 748 V HN 0.420 nan 8.190 nan 0.000 0.428 749 S N 0.003 115.787 115.700 0.140 0.000 2.579 749 S HA 0.076 4.545 4.470 -0.003 0.000 0.275 749 S C 1.140 175.835 174.600 0.158 0.000 1.345 749 S CA 0.574 58.842 58.200 0.114 0.000 1.031 749 S CB 0.486 63.731 63.200 0.076 0.000 0.892 749 S HN 0.615 nan 8.310 nan 0.000 0.529 750 N N 1.578 120.348 118.700 0.116 0.000 2.036 750 N HA -0.263 4.476 4.740 -0.003 0.000 0.195 750 N C 1.280 176.861 175.510 0.120 0.000 1.037 750 N CA 1.987 55.106 53.050 0.115 0.000 0.855 750 N CB -0.396 38.127 38.487 0.060 0.000 1.033 750 N HN 0.923 nan 8.380 nan 0.000 0.423 751 D N -0.264 120.186 120.400 0.083 0.000 2.264 751 D HA -0.055 4.584 4.640 -0.003 0.000 0.208 751 D C 1.586 177.928 176.300 0.069 0.000 0.966 751 D CA 1.036 55.074 54.000 0.063 0.000 0.864 751 D CB -0.109 40.713 40.800 0.037 0.000 0.933 751 D HN 0.337 nan 8.370 nan 0.000 0.499 752 A N -0.851 122.027 122.820 0.096 0.000 2.081 752 A HA 0.225 4.543 4.320 -0.003 0.000 0.214 752 A C 0.565 178.218 177.584 0.115 0.000 1.158 752 A CA -0.052 52.032 52.037 0.079 0.000 0.724 752 A CB -0.231 18.816 19.000 0.079 0.000 0.826 752 A HN 0.340 nan 8.150 nan 0.000 0.463 753 F N 1.265 121.250 119.950 0.057 0.000 2.824 753 F HA 0.333 4.859 4.527 -0.003 0.000 0.375 753 F C -0.144 175.705 175.800 0.083 0.000 1.190 753 F CA -0.969 57.082 58.000 0.085 0.000 1.180 753 F CB 0.759 39.859 39.000 0.167 0.000 1.477 753 F HN -0.066 nan 8.300 nan 0.000 0.542 754 K N 2.871 123.473 120.400 0.336 0.000 2.120 754 K HA 0.164 4.482 4.320 -0.003 0.000 0.245 754 K C -0.371 176.390 176.600 0.269 0.000 1.024 754 K CA -0.662 55.769 56.287 0.239 0.000 0.906 754 K CB 0.914 33.495 32.500 0.135 0.000 1.051 754 K HN 0.392 nan 8.250 nan 0.000 0.491 755 F N 2.175 122.150 119.950 0.042 0.000 2.607 755 F HA -0.081 4.445 4.527 -0.002 0.000 0.374 755 F C 0.726 176.547 175.800 0.034 0.000 1.104 755 F CA 0.537 58.534 58.000 -0.005 0.000 1.296 755 F CB 0.099 39.077 39.000 -0.038 0.000 1.085 755 F HN 0.503 nan 8.300 nan 0.000 0.584 756 M N 2.954 122.153 119.600 -0.670 0.000 2.751 756 M HA -0.232 4.246 4.480 -0.003 0.000 0.199 756 M C -0.427 175.822 176.300 -0.085 0.000 0.550 756 M CA 1.117 56.125 55.300 -0.488 0.000 0.640 756 M CB -2.601 29.650 32.600 -0.581 0.000 2.351 756 M HN 0.714 nan 8.290 nan 0.000 0.613 757 A N 0.133 122.992 122.820 0.066 0.000 2.350 757 A HA 0.999 5.317 4.320 -0.003 0.000 0.318 757 A C -0.459 177.307 177.584 0.302 0.000 1.132 757 A CA -0.536 51.555 52.037 0.090 0.000 0.811 757 A CB 1.454 20.459 19.000 0.009 0.000 1.313 757 A HN 0.645 nan 8.150 nan 0.000 0.454 758 F N -1.679 118.304 119.950 0.056 0.000 2.626 758 F HA 0.794 5.320 4.527 -0.003 0.000 0.311 758 F C -0.819 174.932 175.800 -0.082 0.000 1.088 758 F CA -0.785 57.282 58.000 0.111 0.000 0.949 758 F CB 1.495 40.561 39.000 0.109 0.000 1.322 758 F HN 0.539 nan 8.300 nan 0.000 0.461 759 Q N 1.217 121.120 119.800 0.172 0.000 2.315 759 Q HA 0.285 4.623 4.340 -0.003 0.000 0.273 759 Q C -1.952 174.156 176.000 0.181 0.000 1.053 759 Q CA -1.000 54.803 55.803 -0.000 0.000 0.817 759 Q CB 2.948 31.541 28.738 -0.242 0.000 1.326 759 Q HN 0.584 nan 8.270 nan 0.000 0.423 760 D N 2.775 123.261 120.400 0.143 0.000 2.352 760 D HA 0.212 4.850 4.640 -0.003 0.000 0.245 760 D C -0.276 176.075 176.300 0.085 0.000 1.224 760 D CA 0.187 54.269 54.000 0.135 0.000 0.879 760 D CB 1.157 42.028 40.800 0.119 0.000 1.057 760 D HN 0.297 nan 8.370 nan 0.000 0.491 761 V N 0.239 120.209 119.914 0.094 0.000 2.960 761 V HA 0.673 4.791 4.120 -0.003 0.000 0.315 761 V C -0.067 176.059 176.094 0.054 0.000 1.087 761 V CA -0.651 61.690 62.300 0.068 0.000 0.982 761 V CB 2.221 34.093 31.823 0.081 0.000 1.039 761 V HN 0.286 nan 8.190 nan 0.000 0.437 762 T N 4.879 119.455 114.554 0.036 0.000 2.756 762 T HA 0.586 4.934 4.350 -0.003 0.000 0.290 762 T C -0.010 174.698 174.700 0.012 0.000 0.985 762 T CA -0.268 61.845 62.100 0.022 0.000 0.955 762 T CB 0.648 69.526 68.868 0.017 0.000 0.930 762 T HN 0.665 nan 8.240 nan 0.000 0.451 763 L N 2.633 123.857 121.223 0.003 0.000 2.483 763 L HA 0.119 4.458 4.340 -0.003 0.000 0.275 763 L C 1.580 178.444 176.870 -0.010 0.000 1.220 763 L CA -0.598 54.239 54.840 -0.005 0.000 0.833 763 L CB 0.373 42.423 42.059 -0.014 0.000 1.102 763 L HN 0.609 nan 8.230 nan 0.000 0.490 764 D N 0.341 120.737 120.400 -0.008 0.000 2.158 764 D HA -0.184 4.455 4.640 -0.003 0.000 0.197 764 D C 2.136 178.431 176.300 -0.008 0.000 0.995 764 D CA 1.832 55.828 54.000 -0.006 0.000 0.846 764 D CB -0.037 40.760 40.800 -0.005 0.000 0.941 764 D HN 0.752 nan 8.370 nan 0.000 0.456 765 S N -0.642 115.050 115.700 -0.014 0.000 2.400 765 S HA -0.019 4.450 4.470 -0.003 0.000 0.232 765 S C 1.873 176.458 174.600 -0.025 0.000 1.025 765 S CA 1.607 59.798 58.200 -0.016 0.000 0.993 765 S CB -0.020 63.167 63.200 -0.021 0.000 0.808 765 S HN 0.409 nan 8.310 nan 0.000 0.478 766 G N 0.401 109.180 108.800 -0.035 0.000 2.205 766 G HA2 -0.116 3.843 3.960 -0.003 0.000 0.180 766 G HA3 -0.116 3.843 3.960 -0.003 0.000 0.180 766 G C -0.042 174.817 174.900 -0.067 0.000 1.004 766 G CA -0.206 44.874 45.100 -0.032 0.000 0.670 766 G HN 0.525 nan 8.290 nan 0.000 0.496 767 I N 2.079 122.572 120.570 -0.127 0.000 2.379 767 I HA 0.299 4.467 4.170 -0.003 0.000 0.290 767 I C 0.800 176.869 176.117 -0.080 0.000 1.063 767 I CA -0.538 60.627 61.300 -0.225 0.000 1.351 767 I CB 1.069 38.862 38.000 -0.345 0.000 1.410 767 I HN 0.161 nan 8.210 nan 0.000 0.505 768 E N 6.124 126.310 120.200 -0.024 0.000 2.414 768 E HA 0.479 4.827 4.350 -0.003 0.000 0.263 768 E C -0.740 175.890 176.600 0.051 0.000 1.000 768 E CA 0.024 56.444 56.400 0.034 0.000 0.914 768 E CB 0.865 30.604 29.700 0.065 0.000 0.948 768 E HN 0.674 nan 8.360 nan 0.000 0.444 769 A N 4.206 127.064 122.820 0.063 0.000 2.588 769 A HA 0.765 5.083 4.320 -0.003 0.000 0.290 769 A C -1.231 176.416 177.584 0.104 0.000 1.136 769 A CA -0.761 51.325 52.037 0.081 0.000 0.681 769 A CB 1.399 20.444 19.000 0.075 0.000 1.282 769 A HN 0.589 nan 8.150 nan 0.000 0.421 770 R N 0.522 121.096 120.500 0.122 0.000 2.483 770 R HA 0.667 5.006 4.340 -0.003 0.000 0.303 770 R C -1.927 174.494 176.300 0.203 0.000 0.987 770 R CA -0.320 55.879 56.100 0.165 0.000 0.881 770 R CB 0.861 31.230 30.300 0.116 0.000 1.177 770 R HN 0.631 nan 8.270 nan 0.000 0.451 771 I N 3.412 124.159 120.570 0.294 0.000 2.321 771 I HA 0.309 4.477 4.170 -0.003 0.000 0.291 771 I C -0.416 176.007 176.117 0.511 0.000 0.998 771 I CA -0.488 61.027 61.300 0.358 0.000 1.227 771 I CB 2.022 40.251 38.000 0.381 0.000 1.368 771 I HN 0.573 nan 8.210 nan 0.000 0.466 772 S N 5.871 121.779 115.700 0.346 0.000 2.482 772 S HA 0.453 4.921 4.470 -0.003 0.000 0.303 772 S C 0.056 174.732 174.600 0.128 0.000 1.091 772 S CA -0.874 57.514 58.200 0.314 0.000 1.057 772 S CB 1.754 65.040 63.200 0.142 0.000 1.031 772 S HN 0.496 nan 8.310 nan 0.000 0.485 773 R N 2.383 122.927 120.500 0.074 0.000 3.701 773 R HA 0.310 4.649 4.340 -0.003 0.000 0.210 773 R C -0.787 175.383 176.300 -0.217 0.000 1.598 773 R CA 0.096 56.060 56.100 -0.228 0.000 1.427 773 R CB -0.495 29.656 30.300 -0.248 0.000 1.339 773 R HN 0.537 nan 8.270 nan 0.000 0.720 774 I N 0.313 120.791 120.570 -0.154 0.000 2.354 774 I HA 0.178 4.347 4.170 -0.003 0.000 0.292 774 I C 0.156 176.256 176.117 -0.028 0.000 0.989 774 I CA -0.408 60.804 61.300 -0.148 0.000 1.188 774 I CB 1.982 39.892 38.000 -0.151 0.000 1.342 774 I HN 0.156 nan 8.210 nan 0.000 0.457 775 S N 5.187 120.934 115.700 0.078 0.000 2.561 775 S HA 0.469 4.938 4.470 -0.003 0.000 0.303 775 S C -0.395 174.341 174.600 0.227 0.000 1.110 775 S CA -0.350 57.958 58.200 0.181 0.000 1.034 775 S CB 0.958 64.302 63.200 0.241 0.000 1.010 775 S HN 0.502 nan 8.310 nan 0.000 0.482 776 F N 4.162 124.147 119.950 0.058 0.000 2.654 776 F HA 0.341 4.866 4.527 -0.002 0.000 0.303 776 F C 1.452 177.471 175.800 0.364 0.000 1.099 776 F CA 0.118 58.146 58.000 0.046 0.000 1.270 776 F CB 0.329 39.348 39.000 0.032 0.000 1.024 776 F HN 0.628 nan 8.300 nan 0.000 0.548 777 S N -2.444 113.456 115.700 0.334 0.000 2.593 777 S HA 0.466 4.935 4.470 -0.003 0.000 0.235 777 S C 1.643 176.332 174.600 0.148 0.000 1.059 777 S CA 0.425 58.731 58.200 0.175 0.000 0.953 777 S CB 0.625 63.884 63.200 0.099 0.000 0.897 777 S HN 0.542 nan 8.310 nan 0.000 0.507 778 G N 1.191 110.112 108.800 0.202 0.000 2.254 778 G HA2 -0.189 3.769 3.960 -0.003 0.000 0.225 778 G HA3 -0.189 3.769 3.960 -0.003 0.000 0.225 778 G C -0.037 174.873 174.900 0.016 0.000 1.003 778 G CA 0.094 45.248 45.100 0.090 0.000 0.622 778 G HN 0.478 nan 8.290 nan 0.000 0.507 779 E N 0.172 120.398 120.200 0.043 0.000 2.369 779 E HA 0.480 4.829 4.350 -0.003 0.000 0.255 779 E C 0.491 177.078 176.600 -0.021 0.000 1.172 779 E CA -0.805 55.599 56.400 0.007 0.000 0.932 779 E CB 1.089 30.796 29.700 0.011 0.000 1.040 779 E HN 0.413 nan 8.360 nan 0.000 0.454 780 L N 0.924 122.116 121.223 -0.051 0.000 2.490 780 L HA 0.285 4.624 4.340 -0.003 0.000 0.274 780 L C -0.620 176.189 176.870 -0.102 0.000 1.201 780 L CA 0.430 55.209 54.840 -0.103 0.000 0.869 780 L CB 0.122 42.140 42.059 -0.068 0.000 1.123 780 L HN 0.501 nan 8.230 nan 0.000 0.484 781 A N 4.579 127.246 122.820 -0.256 0.000 2.574 781 A HA 0.758 5.077 4.320 -0.003 0.000 0.297 781 A C -1.621 175.681 177.584 -0.469 0.000 1.062 781 A CA -0.463 51.469 52.037 -0.176 0.000 0.686 781 A CB 0.803 19.799 19.000 -0.007 0.000 1.285 781 A HN 0.525 nan 8.150 nan 0.000 0.403 782 F N 0.745 120.670 119.950 -0.042 0.000 2.539 782 F HA 0.447 4.972 4.527 -0.003 0.000 0.318 782 F C 0.249 176.038 175.800 -0.020 0.000 1.135 782 F CA -0.160 57.793 58.000 -0.078 0.000 0.915 782 F CB 2.472 41.387 39.000 -0.141 0.000 1.176 782 F HN 0.568 nan 8.300 nan 0.000 0.440 783 E N 4.562 124.854 120.200 0.154 0.000 2.113 783 E HA 0.438 4.786 4.350 -0.003 0.000 0.273 783 E C -0.804 175.878 176.600 0.138 0.000 0.924 783 E CA -0.468 56.003 56.400 0.117 0.000 0.764 783 E CB 2.042 31.777 29.700 0.059 0.000 1.104 783 E HN 0.486 nan 8.360 nan 0.000 0.406 784 I N 2.699 123.341 120.570 0.121 0.000 2.297 784 I HA 0.279 4.447 4.170 -0.003 0.000 0.291 784 I C 0.027 176.210 176.117 0.109 0.000 1.033 784 I CA -0.436 60.932 61.300 0.113 0.000 1.253 784 I CB 1.075 39.126 38.000 0.084 0.000 1.396 784 I HN 0.431 nan 8.210 nan 0.000 0.476 785 A N 8.169 131.055 122.820 0.110 0.000 2.271 785 A HA 0.850 5.169 4.320 -0.003 0.000 0.317 785 A C -0.531 177.109 177.584 0.093 0.000 1.245 785 A CA -0.363 51.732 52.037 0.097 0.000 0.857 785 A CB 0.430 19.486 19.000 0.094 0.000 1.175 785 A HN 0.675 nan 8.150 nan 0.000 0.512 786 I N -0.167 120.462 120.570 0.098 0.000 3.074 786 I HA 0.683 4.851 4.170 -0.003 0.000 0.310 786 I C -3.107 173.080 176.117 0.116 0.000 1.153 786 I CA -3.056 58.317 61.300 0.122 0.000 0.993 786 I CB 1.341 39.435 38.000 0.157 0.000 1.237 786 I HN 0.193 nan 8.210 nan 0.000 0.443 787 P HA 0.099 nan 4.420 nan 0.000 0.262 787 P C 0.571 177.864 177.300 -0.012 0.000 1.182 787 P CA 0.412 63.506 63.100 -0.009 0.000 0.761 787 P CB 0.810 32.515 31.700 0.009 0.000 0.795 788 A N 4.960 127.709 122.820 -0.119 0.000 1.929 788 A HA -0.207 4.112 4.320 -0.003 0.000 0.221 788 A C 1.460 179.097 177.584 0.089 0.000 1.211 788 A CA 2.286 54.306 52.037 -0.028 0.000 0.657 788 A CB -1.836 17.125 19.000 -0.065 0.000 0.827 788 A HN 0.807 nan 8.150 nan 0.000 0.462 789 W N -1.442 119.827 121.300 -0.053 0.000 2.848 789 W HA 0.070 4.728 4.660 -0.003 0.000 0.241 789 W C 0.958 177.392 176.519 -0.142 0.000 1.289 789 W CA 0.529 57.808 57.345 -0.110 0.000 1.396 789 W CB -1.247 28.115 29.460 -0.164 0.000 1.138 789 W HN 0.471 nan 8.180 nan 0.000 0.677 790 H N -0.217 119.104 119.070 0.418 0.000 2.586 790 H HA 0.274 4.828 4.556 -0.003 0.000 0.273 790 H C 2.145 177.579 175.328 0.175 0.000 0.997 790 H CA 0.525 56.731 56.048 0.263 0.000 1.177 790 H CB -0.293 29.618 29.762 0.248 0.000 1.471 790 H HN 0.328 nan 8.280 nan 0.000 0.538 791 G N 1.376 110.327 108.800 0.253 0.000 2.476 791 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.218 791 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.218 791 G C 1.764 176.758 174.900 0.157 0.000 1.164 791 G CA 0.476 45.681 45.100 0.175 0.000 0.768 791 G HN 0.333 nan 8.290 nan 0.000 0.560 792 L N -0.288 121.014 121.223 0.132 0.000 2.027 792 L HA -0.111 4.228 4.340 -0.003 0.000 0.206 792 L C 3.047 180.015 176.870 0.164 0.000 1.074 792 L CA 1.960 56.870 54.840 0.115 0.000 0.745 792 L CB -0.311 41.816 42.059 0.113 0.000 0.898 792 L HN 0.323 nan 8.230 nan 0.000 0.433 793 Q N -0.249 119.655 119.800 0.172 0.000 2.045 793 Q HA -0.205 4.133 4.340 -0.003 0.000 0.206 793 Q C 1.938 178.014 176.000 0.128 0.000 0.991 793 Q CA 2.590 58.486 55.803 0.156 0.000 0.851 793 Q CB -0.628 28.219 28.738 0.181 0.000 0.911 793 Q HN 0.369 nan 8.270 nan 0.000 0.418 794 V N 0.112 120.110 119.914 0.141 0.000 2.343 794 V HA -0.219 3.899 4.120 -0.003 0.000 0.247 794 V C 1.991 178.127 176.094 0.069 0.000 1.051 794 V CA 1.841 64.199 62.300 0.096 0.000 1.036 794 V CB -0.934 30.958 31.823 0.114 0.000 0.654 794 V HN 0.614 nan 8.190 nan 0.000 0.451 795 W N 1.388 122.626 121.300 -0.104 0.000 2.338 795 W HA -0.186 4.473 4.660 -0.003 0.000 0.304 795 W C 2.196 178.538 176.519 -0.295 0.000 1.212 795 W CA 2.106 59.303 57.345 -0.245 0.000 1.264 795 W CB -0.119 29.120 29.460 -0.370 0.000 1.142 795 W HN 0.391 nan 8.180 nan 0.000 0.512 796 E N -0.148 120.038 120.200 -0.023 0.000 2.150 796 E HA -0.192 4.156 4.350 -0.003 0.000 0.193 796 E C 1.620 178.235 176.600 0.025 0.000 0.985 796 E CA 1.284 57.692 56.400 0.013 0.000 0.814 796 E CB -0.229 29.573 29.700 0.170 0.000 0.752 796 E HN 0.169 nan 8.360 nan 0.000 0.466 797 D N 0.298 120.697 120.400 -0.002 0.000 2.149 797 D HA -0.094 4.544 4.640 -0.003 0.000 0.201 797 D C 2.080 178.343 176.300 -0.061 0.000 0.972 797 D CA 0.672 54.667 54.000 -0.009 0.000 0.835 797 D CB -0.005 40.795 40.800 -0.001 0.000 0.966 797 D HN 0.018 nan 8.370 nan 0.000 0.476 798 V N 0.768 120.601 119.914 -0.136 0.000 2.358 798 V HA -0.250 3.868 4.120 -0.003 0.000 0.246 798 V C 2.208 178.190 176.094 -0.186 0.000 1.047 798 V CA 1.189 63.378 62.300 -0.186 0.000 1.035 798 V CB -0.629 31.017 31.823 -0.296 0.000 0.658 798 V HN 0.139 nan 8.190 nan 0.000 0.452 799 Y N 1.559 121.612 120.300 -0.411 0.000 2.145 799 Y HA -0.233 4.316 4.550 -0.003 0.000 0.286 799 Y C 2.427 178.257 175.900 -0.117 0.000 1.145 799 Y CA 1.496 59.402 58.100 -0.322 0.000 1.148 799 Y CB -0.745 37.508 38.460 -0.345 0.000 0.981 799 Y HN 0.147 nan 8.280 nan 0.000 0.507 800 A N 0.322 123.103 122.820 -0.066 0.000 1.877 800 A HA -0.099 4.219 4.320 -0.003 0.000 0.216 800 A C 2.426 179.939 177.584 -0.118 0.000 1.186 800 A CA 2.021 53.998 52.037 -0.100 0.000 0.620 800 A CB -1.530 17.473 19.000 0.005 0.000 0.822 800 A HN 0.580 nan 8.150 nan 0.000 0.443 801 A N -0.891 121.883 122.820 -0.077 0.000 2.019 801 A HA 0.170 4.488 4.320 -0.003 0.000 0.219 801 A C 2.114 179.695 177.584 -0.004 0.000 1.164 801 A CA 1.717 53.729 52.037 -0.042 0.000 0.644 801 A CB -0.881 18.105 19.000 -0.023 0.000 0.805 801 A HN 0.799 nan 8.150 nan 0.000 0.449 802 G N -1.781 106.996 108.800 -0.039 0.000 3.088 802 G HA2 0.123 4.082 3.960 -0.003 0.000 0.217 802 G HA3 0.123 4.082 3.960 -0.003 0.000 0.217 802 G C 1.223 176.091 174.900 -0.055 0.000 1.159 802 G CA 0.176 45.315 45.100 0.065 0.000 0.760 802 G HN 0.377 nan 8.290 nan 0.000 0.550 803 Q N 1.472 121.148 119.800 -0.206 0.000 2.077 803 Q HA -0.198 4.140 4.340 -0.003 0.000 0.206 803 Q C 2.312 178.183 176.000 -0.214 0.000 0.989 803 Q CA 1.834 57.487 55.803 -0.250 0.000 0.853 803 Q CB -0.451 28.131 28.738 -0.261 0.000 0.907 803 Q HN 0.901 nan 8.270 nan 0.000 0.418 804 E N -0.524 119.482 120.200 -0.324 0.000 2.472 804 E HA -0.122 4.226 4.350 -0.003 0.000 0.200 804 E C 0.602 176.895 176.600 -0.511 0.000 1.046 804 E CA 0.636 56.765 56.400 -0.452 0.000 0.871 804 E CB -0.178 29.148 29.700 -0.623 0.000 0.806 804 E HN 0.251 nan 8.360 nan 0.000 0.533 805 F N 0.699 120.607 119.950 -0.070 0.000 2.654 805 F HA 0.267 4.792 4.527 -0.003 0.000 0.303 805 F C 0.230 175.999 175.800 -0.051 0.000 1.099 805 F CA -0.587 57.380 58.000 -0.054 0.000 1.270 805 F CB -0.103 38.864 39.000 -0.054 0.000 1.024 805 F HN -0.073 nan 8.300 nan 0.000 0.548 806 N N 1.706 120.437 118.700 0.051 0.000 2.740 806 N HA -0.277 4.461 4.740 -0.003 0.000 0.248 806 N C -0.019 175.520 175.510 0.048 0.000 1.062 806 N CA 0.157 53.225 53.050 0.030 0.000 0.704 806 N CB -1.336 37.176 38.487 0.040 0.000 0.968 806 N HN 0.477 nan 8.380 nan 0.000 0.547 807 I N 0.527 121.117 120.570 0.033 0.000 2.741 807 I HA -0.046 4.123 4.170 -0.003 0.000 0.288 807 I C -0.170 175.992 176.117 0.076 0.000 1.192 807 I CA 0.714 62.037 61.300 0.038 0.000 1.426 807 I CB 0.237 38.228 38.000 -0.014 0.000 1.367 807 I HN 0.268 nan 8.210 nan 0.000 0.563 808 T N 9.422 124.031 114.554 0.092 0.000 2.821 808 T HA 0.380 4.728 4.350 -0.003 0.000 0.307 808 T C -2.416 172.363 174.700 0.133 0.000 1.034 808 T CA -1.047 61.126 62.100 0.121 0.000 0.953 808 T CB 1.076 70.003 68.868 0.099 0.000 0.968 808 T HN 0.478 nan 8.240 nan 0.000 0.462 809 P HA 0.197 nan 4.420 nan 0.000 0.271 809 P C -1.277 175.977 177.300 -0.077 0.000 1.218 809 P CA -0.257 62.764 63.100 -0.132 0.000 0.780 809 P CB 0.418 31.916 31.700 -0.338 0.000 0.901 810 Y N -0.629 119.665 120.300 -0.010 0.000 2.588 810 Y HA 0.780 5.329 4.550 -0.002 0.000 0.343 810 Y C -0.020 176.125 175.900 0.408 0.000 1.065 810 Y CA -1.206 57.025 58.100 0.218 0.000 1.038 810 Y CB 0.722 39.266 38.460 0.140 0.000 1.297 810 Y HN 0.527 nan 8.280 nan 0.000 0.467 811 G N -0.082 109.026 108.800 0.514 0.000 2.828 811 G HA2 0.379 4.338 3.960 -0.003 0.000 0.244 811 G HA3 0.379 4.338 3.960 -0.003 0.000 0.244 811 G C 0.568 175.637 174.900 0.283 0.000 1.365 811 G CA -0.379 44.904 45.100 0.305 0.000 1.041 811 G HN 1.001 nan 8.290 nan 0.000 0.560 812 T N -1.805 112.879 114.554 0.217 0.000 2.759 812 T HA -0.170 4.178 4.350 -0.003 0.000 0.269 812 T C 1.902 176.597 174.700 -0.008 0.000 1.042 812 T CA 2.021 64.185 62.100 0.106 0.000 1.140 812 T CB -0.228 68.665 68.868 0.042 0.000 0.864 812 T HN 0.410 nan 8.240 nan 0.000 0.455 813 E N 1.347 121.679 120.200 0.220 0.000 2.031 813 E HA -0.085 4.263 4.350 -0.003 0.000 0.193 813 E C 2.434 179.105 176.600 0.119 0.000 0.994 813 E CA 1.890 58.392 56.400 0.169 0.000 0.800 813 E CB -1.025 28.734 29.700 0.099 0.000 0.752 813 E HN 0.549 nan 8.360 nan 0.000 0.447 814 T N 0.972 115.626 114.554 0.166 0.000 2.833 814 T HA -0.150 4.198 4.350 -0.003 0.000 0.269 814 T C 1.731 176.490 174.700 0.099 0.000 1.054 814 T CA 1.397 63.553 62.100 0.093 0.000 1.135 814 T CB -0.265 68.679 68.868 0.127 0.000 0.869 814 T HN 0.234 nan 8.240 nan 0.000 0.466 815 M N 0.411 120.197 119.600 0.310 0.000 2.159 815 M HA -0.152 4.326 4.480 -0.003 0.000 0.263 815 M C 2.030 178.498 176.300 0.280 0.000 1.063 815 M CA 1.808 57.337 55.300 0.381 0.000 1.110 815 M CB -0.376 32.499 32.600 0.458 0.000 1.374 815 M HN 0.462 nan 8.290 nan 0.000 0.411 816 H N -1.155 117.947 119.070 0.053 0.000 2.428 816 H HA -0.087 4.467 4.556 -0.003 0.000 0.296 816 H C 2.143 177.145 175.328 -0.545 0.000 1.062 816 H CA 1.151 57.133 56.048 -0.109 0.000 1.350 816 H CB 0.191 29.993 29.762 0.068 0.000 1.403 816 H HN 0.265 nan 8.280 nan 0.000 0.533 817 V N 1.363 120.981 119.914 -0.494 0.000 2.223 817 V HA -0.264 3.854 4.120 -0.003 0.000 0.244 817 V C 2.533 178.444 176.094 -0.305 0.000 1.045 817 V CA 1.552 63.453 62.300 -0.666 0.000 1.000 817 V CB -0.646 30.968 31.823 -0.348 0.000 0.635 817 V HN 0.305 nan 8.190 nan 0.000 0.445 818 L N 0.434 121.524 121.223 -0.220 0.000 1.990 818 L HA -0.234 4.104 4.340 -0.003 0.000 0.213 818 L C 2.834 179.587 176.870 -0.194 0.000 1.072 818 L CA 2.266 56.988 54.840 -0.196 0.000 0.755 818 L CB -0.916 41.049 42.059 -0.157 0.000 0.889 818 L HN 0.369 nan 8.230 nan 0.000 0.432 819 R N 1.240 121.620 120.500 -0.200 0.000 2.120 819 R HA -0.130 4.209 4.340 -0.003 0.000 0.234 819 R C 1.965 178.070 176.300 -0.325 0.000 1.123 819 R CA 1.745 57.646 56.100 -0.332 0.000 0.975 819 R CB -0.509 29.397 30.300 -0.658 0.000 0.866 819 R HN 0.344 nan 8.270 nan 0.000 0.446 820 A N 1.238 123.954 122.820 -0.173 0.000 2.014 820 A HA -0.060 4.259 4.320 -0.003 0.000 0.218 820 A C 1.837 179.483 177.584 0.103 0.000 1.163 820 A CA 1.017 53.086 52.037 0.053 0.000 0.652 820 A CB -0.207 18.918 19.000 0.208 0.000 0.808 820 A HN 0.549 nan 8.150 nan 0.000 0.449 821 E N -0.257 119.898 120.200 -0.074 0.000 2.347 821 E HA -0.087 4.261 4.350 -0.003 0.000 0.196 821 E C 1.035 177.453 176.600 -0.302 0.000 1.008 821 E CA 0.615 56.824 56.400 -0.318 0.000 0.852 821 E CB 0.073 29.568 29.700 -0.342 0.000 0.783 821 E HN 0.289 nan 8.360 nan 0.000 0.505 822 K N -0.606 119.523 120.400 -0.453 0.000 2.358 822 K HA 0.113 4.431 4.320 -0.003 0.000 0.197 822 K C 1.025 177.184 176.600 -0.734 0.000 1.025 822 K CA 0.592 56.440 56.287 -0.733 0.000 1.104 822 K CB 1.177 32.851 32.500 -1.377 0.000 0.855 822 K HN 0.224 nan 8.250 nan 0.000 0.531 823 G N 1.827 110.377 108.800 -0.416 0.000 2.148 823 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.254 823 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.254 823 G C -0.041 174.832 174.900 -0.047 0.000 0.981 823 G CA -0.149 44.855 45.100 -0.162 0.000 0.670 823 G HN 0.123 nan 8.290 nan 0.000 0.528 824 F N 0.426 120.335 119.950 -0.068 0.000 2.450 824 F HA 0.606 5.131 4.527 -0.003 0.000 0.339 824 F C 1.172 176.988 175.800 0.026 0.000 1.146 824 F CA -1.387 56.572 58.000 -0.069 0.000 1.267 824 F CB 0.358 39.149 39.000 -0.348 0.000 1.178 824 F HN 0.257 nan 8.300 nan 0.000 0.585 825 I N 1.000 121.785 120.570 0.358 0.000 2.566 825 I HA 0.502 4.670 4.170 -0.003 0.000 0.303 825 I C -0.837 175.470 176.117 0.318 0.000 0.983 825 I CA -0.449 61.027 61.300 0.293 0.000 1.235 825 I CB 1.096 39.248 38.000 0.255 0.000 1.386 825 I HN 0.198 nan 8.210 nan 0.000 0.494 826 I N 5.950 126.643 120.570 0.204 0.000 2.390 826 I HA 0.255 4.424 4.170 -0.003 0.000 0.283 826 I C -0.178 176.022 176.117 0.138 0.000 1.016 826 I CA -0.656 60.729 61.300 0.143 0.000 1.151 826 I CB 1.414 39.371 38.000 -0.071 0.000 1.293 826 I HN 0.418 nan 8.210 nan 0.000 0.458 827 V N 6.524 126.514 119.914 0.127 0.000 2.557 827 V HA 0.256 4.375 4.120 -0.003 0.000 0.301 827 V C 1.408 177.564 176.094 0.104 0.000 1.026 827 V CA 1.467 63.829 62.300 0.103 0.000 1.137 827 V CB 0.268 32.117 31.823 0.045 0.000 0.917 827 V HN 1.127 nan 8.190 nan 0.000 0.484 828 G N 3.401 112.279 108.800 0.130 0.000 2.254 828 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.225 828 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.225 828 G C 0.781 175.794 174.900 0.189 0.000 1.003 828 G CA 0.691 45.875 45.100 0.139 0.000 0.622 828 G HN 0.662 nan 8.290 nan 0.000 0.507 829 Q N -0.627 119.300 119.800 0.212 0.000 2.548 829 Q HA 0.162 4.501 4.340 -0.003 0.000 0.230 829 Q C 1.717 177.920 176.000 0.338 0.000 0.899 829 Q CA 0.572 56.553 55.803 0.296 0.000 0.936 829 Q CB 0.347 29.235 28.738 0.249 0.000 1.114 829 Q HN 0.405 nan 8.270 nan 0.000 0.606 830 D N 0.718 121.298 120.400 0.300 0.000 2.240 830 D HA -0.025 4.614 4.640 -0.003 0.000 0.206 830 D C 0.413 176.802 176.300 0.149 0.000 0.963 830 D CA 1.066 55.176 54.000 0.183 0.000 0.863 830 D CB 0.423 41.359 40.800 0.228 0.000 0.973 830 D HN 0.317 nan 8.370 nan 0.000 0.501 831 T N -0.044 114.620 114.554 0.184 0.000 2.867 831 T HA 0.359 4.707 4.350 -0.003 0.000 0.282 831 T C -0.054 174.769 174.700 0.204 0.000 1.000 831 T CA -0.803 61.402 62.100 0.176 0.000 1.042 831 T CB 2.052 71.006 68.868 0.144 0.000 0.973 831 T HN -0.118 nan 8.240 nan 0.000 0.465 832 D N 0.074 120.597 120.400 0.204 0.000 2.673 832 D HA 0.249 4.887 4.640 -0.003 0.000 0.278 832 D C 1.301 177.678 176.300 0.128 0.000 1.393 832 D CA -0.110 53.999 54.000 0.182 0.000 0.805 832 D CB -0.415 40.521 40.800 0.226 0.000 1.110 832 D HN 1.137 nan 8.370 nan 0.000 0.476 833 G N 0.828 109.701 108.800 0.122 0.000 2.179 833 G HA2 -0.334 3.625 3.960 -0.003 0.000 0.260 833 G HA3 -0.334 3.625 3.960 -0.003 0.000 0.260 833 G C 0.912 175.871 174.900 0.098 0.000 0.977 833 G CA 0.901 46.059 45.100 0.097 0.000 0.641 833 G HN 0.781 nan 8.290 nan 0.000 0.533 834 T N -2.833 111.791 114.554 0.117 0.000 3.111 834 T HA 0.567 4.915 4.350 -0.003 0.000 0.284 834 T C 0.288 175.065 174.700 0.127 0.000 0.983 834 T CA 0.539 62.708 62.100 0.115 0.000 0.900 834 T CB 0.949 69.885 68.868 0.113 0.000 1.132 834 T HN 0.695 nan 8.240 nan 0.000 0.531 835 V N 3.811 123.805 119.914 0.132 0.000 2.370 835 V HA 0.549 4.667 4.120 -0.003 0.000 0.279 835 V C 0.826 176.991 176.094 0.117 0.000 1.029 835 V CA -0.640 61.733 62.300 0.122 0.000 0.870 835 V CB 0.957 32.853 31.823 0.123 0.000 0.984 835 V HN 0.679 nan 8.190 nan 0.000 0.451 836 T N 3.070 117.681 114.554 0.096 0.000 2.881 836 T HA 0.381 4.730 4.350 -0.003 0.000 0.278 836 T C -1.872 172.836 174.700 0.014 0.000 0.982 836 T CA -1.957 60.199 62.100 0.094 0.000 0.989 836 T CB 1.655 70.536 68.868 0.021 0.000 1.058 836 T HN 0.354 nan 8.240 nan 0.000 0.529 837 P HA -0.072 nan 4.420 nan 0.000 0.218 837 P C 1.462 178.667 177.300 -0.160 0.000 1.148 837 P CA 1.048 64.101 63.100 -0.078 0.000 0.822 837 P CB 0.021 31.680 31.700 -0.069 0.000 0.784 838 Q N -0.606 119.053 119.800 -0.234 0.000 2.079 838 Q HA -0.141 4.198 4.340 -0.003 0.000 0.200 838 Q C 1.864 177.763 176.000 -0.169 0.000 0.974 838 Q CA 1.396 57.063 55.803 -0.226 0.000 0.840 838 Q CB -0.929 27.638 28.738 -0.285 0.000 0.898 838 Q HN 0.288 nan 8.270 nan 0.000 0.430 839 D N 0.652 120.991 120.400 -0.102 0.000 2.123 839 D HA -0.146 4.493 4.640 -0.003 0.000 0.196 839 D C 1.148 177.445 176.300 -0.005 0.000 0.992 839 D CA 1.517 55.505 54.000 -0.020 0.000 0.833 839 D CB -0.217 40.625 40.800 0.070 0.000 0.954 839 D HN 0.306 nan 8.370 nan 0.000 0.455 840 A N 0.108 122.929 122.820 0.001 0.000 2.261 840 A HA 0.385 4.704 4.320 -0.003 0.000 0.208 840 A C 1.531 179.141 177.584 0.043 0.000 1.223 840 A CA 0.805 52.865 52.037 0.039 0.000 0.833 840 A CB -0.595 18.444 19.000 0.065 0.000 0.830 840 A HN 0.246 nan 8.150 nan 0.000 0.483 841 G N -0.888 107.909 108.800 -0.004 0.000 2.246 841 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.273 841 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.273 841 G C 0.167 175.122 174.900 0.091 0.000 1.055 841 G CA 0.576 45.702 45.100 0.043 0.000 0.851 841 G HN 0.508 nan 8.290 nan 0.000 0.500 842 M N -0.415 119.114 119.600 -0.119 0.000 3.189 842 M HA 0.247 4.725 4.480 -0.003 0.000 0.365 842 M C 1.118 177.065 176.300 -0.588 0.000 1.447 842 M CA -0.218 54.753 55.300 -0.548 0.000 0.739 842 M CB 0.840 33.126 32.600 -0.523 0.000 1.411 842 M HN 0.312 nan 8.290 nan 0.000 0.494 843 E N 1.443 121.480 120.200 -0.271 0.000 2.274 843 E HA -0.122 4.226 4.350 -0.003 0.000 0.194 843 E C 1.653 178.203 176.600 -0.083 0.000 0.996 843 E CA 1.365 57.670 56.400 -0.157 0.000 0.840 843 E CB 0.255 29.921 29.700 -0.057 0.000 0.772 843 E HN 0.778 nan 8.360 nan 0.000 0.491 844 W N -0.498 120.817 121.300 0.026 0.000 2.425 844 W HA -0.040 4.619 4.660 -0.002 0.000 0.277 844 W C 1.530 178.072 176.519 0.039 0.000 1.231 844 W CA 0.270 57.635 57.345 0.033 0.000 1.248 844 W CB -0.845 28.634 29.460 0.033 0.000 1.117 844 W HN -0.058 nan 8.180 nan 0.000 0.568 845 V N 2.167 121.742 119.914 -0.564 0.000 3.380 845 V HA -0.008 4.110 4.120 -0.003 0.000 0.268 845 V C 0.651 176.617 176.094 -0.213 0.000 1.168 845 V CA 0.602 62.639 62.300 -0.439 0.000 1.156 845 V CB -0.492 30.822 31.823 -0.849 0.000 0.785 845 V HN -0.077 nan 8.190 nan 0.000 0.487 846 V N 1.821 121.663 119.914 -0.119 0.000 2.353 846 V HA 0.250 4.369 4.120 -0.003 0.000 0.264 846 V C 0.605 176.792 176.094 0.155 0.000 1.049 846 V CA 0.168 62.500 62.300 0.054 0.000 0.896 846 V CB 0.815 32.725 31.823 0.145 0.000 1.025 846 V HN 0.429 nan 8.190 nan 0.000 0.475 847 S N 4.503 120.310 115.700 0.179 0.000 2.537 847 S HA 0.112 4.581 4.470 -0.003 0.000 0.286 847 S C 1.063 175.820 174.600 0.263 0.000 1.299 847 S CA -0.241 58.082 58.200 0.204 0.000 1.067 847 S CB 0.267 63.578 63.200 0.184 0.000 0.864 847 S HN 0.918 nan 8.310 nan 0.000 0.494 848 K N 4.451 124.951 120.400 0.167 0.000 2.372 848 K HA 0.283 4.602 4.320 -0.003 0.000 0.200 848 K C 0.857 177.518 176.600 0.101 0.000 1.022 848 K CA 0.145 56.512 56.287 0.134 0.000 1.125 848 K CB 0.040 32.601 32.500 0.103 0.000 0.855 848 K HN 0.579 nan 8.250 nan 0.000 0.524 849 L N 0.567 121.854 121.223 0.106 0.000 2.425 849 L HA 0.181 4.519 4.340 -0.003 0.000 0.215 849 L C 0.064 176.980 176.870 0.077 0.000 1.065 849 L CA -0.058 54.828 54.840 0.077 0.000 0.842 849 L CB 0.145 42.244 42.059 0.066 0.000 1.033 849 L HN 0.143 nan 8.230 nan 0.000 0.474 850 K N -1.342 119.126 120.400 0.113 0.000 2.482 850 K HA 0.496 4.814 4.320 -0.003 0.000 0.257 850 K C -1.347 175.332 176.600 0.132 0.000 0.969 850 K CA -0.806 55.543 56.287 0.103 0.000 0.842 850 K CB 1.442 34.002 32.500 0.100 0.000 1.359 850 K HN -0.272 nan 8.250 nan 0.000 0.441 851 D N 0.223 120.651 120.400 0.047 0.000 2.283 851 D HA 0.581 5.219 4.640 -0.003 0.000 0.248 851 D C -1.069 175.246 176.300 0.025 0.000 1.072 851 D CA -0.278 53.681 54.000 -0.068 0.000 0.929 851 D CB 0.490 41.232 40.800 -0.097 0.000 1.182 851 D HN 0.461 nan 8.370 nan 0.000 0.433 852 F N -0.102 119.816 119.950 -0.052 0.000 2.686 852 F HA 0.474 4.999 4.527 -0.003 0.000 0.311 852 F C -1.177 174.559 175.800 -0.108 0.000 1.128 852 F CA -1.442 56.508 58.000 -0.083 0.000 0.946 852 F CB 0.354 39.318 39.000 -0.059 0.000 1.336 852 F HN 0.021 nan 8.300 nan 0.000 0.457 853 V N 2.452 122.426 119.914 0.100 0.000 2.509 853 V HA 0.375 4.494 4.120 -0.003 0.000 0.297 853 V C 1.015 177.160 176.094 0.084 0.000 1.014 853 V CA 1.710 64.003 62.300 -0.012 0.000 1.127 853 V CB -0.082 31.602 31.823 -0.231 0.000 0.925 853 V HN 1.518 nan 8.190 nan 0.000 0.480 854 G N 4.057 112.809 108.800 -0.081 0.000 2.284 854 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.216 854 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.216 854 G C 1.107 175.610 174.900 -0.662 0.000 1.009 854 G CA 0.428 45.411 45.100 -0.195 0.000 0.625 854 G HN 0.665 nan 8.290 nan 0.000 0.501 855 K N 0.664 120.532 120.400 -0.887 0.000 2.074 855 K HA -0.166 4.153 4.320 -0.003 0.000 0.209 855 K C 2.447 178.636 176.600 -0.685 0.000 1.048 855 K CA 2.031 57.601 56.287 -1.195 0.000 0.926 855 K CB -0.156 31.467 32.500 -1.462 0.000 0.713 855 K HN 0.298 nan 8.250 nan 0.000 0.444 856 R N 0.725 120.972 120.500 -0.421 0.000 2.139 856 R HA -0.076 4.262 4.340 -0.003 0.000 0.243 856 R C 1.827 178.046 176.300 -0.136 0.000 1.145 856 R CA 2.177 58.153 56.100 -0.206 0.000 0.976 856 R CB -0.596 29.629 30.300 -0.126 0.000 0.866 856 R HN 0.107 nan 8.270 nan 0.000 0.449 857 S N -0.193 115.394 115.700 -0.189 0.000 2.447 857 S HA -0.002 4.466 4.470 -0.003 0.000 0.233 857 S C 1.409 176.083 174.600 0.123 0.000 1.006 857 S CA 0.853 59.027 58.200 -0.043 0.000 0.957 857 S CB -0.292 62.888 63.200 -0.034 0.000 0.773 857 S HN 0.381 nan 8.310 nan 0.000 0.507 858 F N 2.028 121.986 119.950 0.013 0.000 2.494 858 F HA -0.102 4.424 4.527 -0.002 0.000 0.298 858 F C 2.473 178.284 175.800 0.019 0.000 1.106 858 F CA 0.542 58.556 58.000 0.024 0.000 1.452 858 F CB -0.183 38.830 39.000 0.022 0.000 1.085 858 F HN 0.299 nan 8.300 nan 0.000 0.569 859 S N -0.584 115.224 115.700 0.181 0.000 2.535 859 S HA 0.140 4.608 4.470 -0.003 0.000 0.214 859 S C 0.666 175.315 174.600 0.082 0.000 0.980 859 S CA -0.568 57.697 58.200 0.108 0.000 0.907 859 S CB -0.073 63.167 63.200 0.067 0.000 0.790 859 S HN 0.153 nan 8.310 nan 0.000 0.510 860 R N 1.675 122.228 120.500 0.088 0.000 2.774 860 R HA 0.192 4.530 4.340 -0.003 0.000 0.269 860 R C 1.495 177.835 176.300 0.067 0.000 1.068 860 R CA 0.154 56.294 56.100 0.068 0.000 1.180 860 R CB 0.344 30.684 30.300 0.068 0.000 1.077 860 R HN 0.422 nan 8.270 nan 0.000 0.513 861 E N 1.351 121.583 120.200 0.052 0.000 2.033 861 E HA -0.344 4.004 4.350 -0.003 0.000 0.199 861 E C 1.296 177.928 176.600 0.052 0.000 1.011 861 E CA 1.886 58.314 56.400 0.047 0.000 0.815 861 E CB -0.039 29.683 29.700 0.038 0.000 0.755 861 E HN 0.627 nan 8.360 nan 0.000 0.451 862 D N -0.175 120.259 120.400 0.056 0.000 2.182 862 D HA -0.175 4.464 4.640 -0.003 0.000 0.201 862 D C 1.492 177.835 176.300 0.071 0.000 0.986 862 D CA 0.831 54.867 54.000 0.059 0.000 0.847 862 D CB -0.149 40.687 40.800 0.060 0.000 0.942 862 D HN 0.244 nan 8.370 nan 0.000 0.467 863 N N 0.197 118.949 118.700 0.086 0.000 2.396 863 N HA -0.091 4.647 4.740 -0.003 0.000 0.180 863 N C 1.649 177.203 175.510 0.073 0.000 1.028 863 N CA 0.795 53.904 53.050 0.098 0.000 0.893 863 N CB 0.635 39.214 38.487 0.153 0.000 0.967 863 N HN 0.252 nan 8.380 nan 0.000 0.440 864 V N -1.432 118.521 119.914 0.066 0.000 3.342 864 V HA 0.298 4.417 4.120 -0.003 0.000 0.322 864 V C 0.764 176.888 176.094 0.051 0.000 1.370 864 V CA -0.420 61.913 62.300 0.054 0.000 1.170 864 V CB -0.467 31.387 31.823 0.051 0.000 1.101 864 V HN -0.013 nan 8.190 nan 0.000 0.442 865 R N 0.867 121.399 120.500 0.053 0.000 2.707 865 R HA 0.315 4.654 4.340 -0.003 0.000 0.270 865 R C 0.700 177.030 176.300 0.051 0.000 1.083 865 R CA 0.198 56.325 56.100 0.046 0.000 1.182 865 R CB 0.705 31.030 30.300 0.043 0.000 1.084 865 R HN 0.459 nan 8.270 nan 0.000 0.528 866 E N 0.540 120.763 120.200 0.038 0.000 2.452 866 E HA -0.067 4.281 4.350 -0.003 0.000 0.197 866 E C 0.000 176.605 176.600 0.007 0.000 1.022 866 E CA 0.333 56.755 56.400 0.037 0.000 0.890 866 E CB 0.316 30.033 29.700 0.028 0.000 0.918 866 E HN 0.561 nan 8.360 nan 0.000 0.496 867 D N 0.838 121.237 120.400 -0.002 0.000 2.463 867 D HA 0.019 4.657 4.640 -0.003 0.000 0.224 867 D C 0.177 176.449 176.300 -0.045 0.000 1.174 867 D CA -0.272 53.706 54.000 -0.037 0.000 0.829 867 D CB 0.040 40.831 40.800 -0.016 0.000 0.993 867 D HN -0.067 nan 8.370 nan 0.000 0.497 868 R N 1.114 121.606 120.500 -0.012 0.000 2.643 868 R HA 0.174 4.513 4.340 -0.003 0.000 0.270 868 R C 0.440 176.712 176.300 -0.046 0.000 1.061 868 R CA -0.043 56.078 56.100 0.033 0.000 1.107 868 R CB 1.053 31.430 30.300 0.128 0.000 0.999 868 R HN -0.009 nan 8.270 nan 0.000 0.460 869 K N 3.220 123.637 120.400 0.029 0.000 2.339 869 K HA 0.076 4.394 4.320 -0.003 0.000 0.286 869 K C -0.267 176.421 176.600 0.146 0.000 1.050 869 K CA 0.162 56.457 56.287 0.014 0.000 0.956 869 K CB 0.527 33.068 32.500 0.067 0.000 0.990 869 K HN 0.540 nan 8.250 nan 0.000 0.475 870 H N 1.442 120.513 119.070 0.002 0.000 2.479 870 H HA 0.240 4.795 4.556 -0.003 0.000 0.335 870 H C -0.339 174.974 175.328 -0.026 0.000 1.142 870 H CA -1.005 55.041 56.048 -0.005 0.000 1.234 870 H CB 1.756 31.519 29.762 0.001 0.000 1.503 870 H HN 0.259 nan 8.280 nan 0.000 0.510 871 L N 4.560 125.845 121.223 0.104 0.000 2.295 871 L HA 0.223 4.562 4.340 -0.003 0.000 0.288 871 L C -0.400 176.493 176.870 0.039 0.000 1.079 871 L CA -0.351 54.504 54.840 0.025 0.000 0.830 871 L CB -0.172 41.903 42.059 0.028 0.000 1.200 871 L HN 0.434 nan 8.230 nan 0.000 0.438 872 V N 1.282 121.203 119.914 0.012 0.000 3.145 872 V HA 0.744 4.862 4.120 -0.003 0.000 0.311 872 V C -0.085 176.018 176.094 0.016 0.000 1.238 872 V CA -0.566 61.750 62.300 0.026 0.000 1.066 872 V CB 1.706 33.550 31.823 0.035 0.000 1.144 872 V HN 0.700 nan 8.190 nan 0.000 0.465 873 S N -0.325 115.399 115.700 0.039 0.000 2.722 873 S HA 0.908 5.376 4.470 -0.003 0.000 0.292 873 S C -0.656 173.979 174.600 0.058 0.000 1.135 873 S CA -0.620 57.627 58.200 0.078 0.000 1.003 873 S CB 1.624 64.891 63.200 0.112 0.000 1.067 873 S HN 1.335 nan 8.310 nan 0.000 0.546 874 V N 1.116 121.082 119.914 0.087 0.000 2.760 874 V HA 0.490 4.609 4.120 -0.003 0.000 0.309 874 V C -1.080 175.072 176.094 0.097 0.000 1.077 874 V CA -0.696 61.638 62.300 0.057 0.000 0.910 874 V CB 1.666 33.496 31.823 0.013 0.000 1.008 874 V HN 0.885 nan 8.190 nan 0.000 0.424 875 L N 5.347 126.614 121.223 0.072 0.000 2.388 875 L HA 0.464 4.803 4.340 -0.003 0.000 0.267 875 L C -2.720 174.181 176.870 0.052 0.000 0.995 875 L CA -1.609 53.281 54.840 0.082 0.000 0.864 875 L CB 2.214 44.315 42.059 0.070 0.000 1.216 875 L HN 0.396 nan 8.230 nan 0.000 0.430 876 P HA -0.038 nan 4.420 nan 0.000 0.265 876 P C 1.221 178.539 177.300 0.029 0.000 1.193 876 P CA -0.243 62.875 63.100 0.030 0.000 0.765 876 P CB 0.940 32.656 31.700 0.025 0.000 0.823 877 V N 0.088 120.015 119.914 0.021 0.000 2.453 877 V HA -0.180 3.939 4.120 -0.003 0.000 0.252 877 V C 0.865 176.970 176.094 0.018 0.000 1.068 877 V CA 1.775 64.086 62.300 0.018 0.000 1.070 877 V CB -1.025 30.806 31.823 0.013 0.000 0.664 877 V HN 0.395 nan 8.190 nan 0.000 0.461 878 D N 1.117 121.527 120.400 0.018 0.000 2.365 878 D HA 0.217 4.855 4.640 -0.003 0.000 0.237 878 D C 1.484 177.798 176.300 0.023 0.000 1.190 878 D CA 0.660 54.669 54.000 0.016 0.000 0.867 878 D CB 1.403 42.209 40.800 0.011 0.000 1.050 878 D HN 0.516 nan 8.370 nan 0.000 0.491 879 S N 1.795 117.510 115.700 0.026 0.000 2.493 879 S HA -0.190 4.279 4.470 -0.003 0.000 0.243 879 S C 1.448 176.072 174.600 0.039 0.000 0.991 879 S CA 1.139 59.361 58.200 0.037 0.000 0.957 879 S CB -0.258 62.962 63.200 0.034 0.000 0.756 879 S HN 0.383 nan 8.310 nan 0.000 0.521 880 S N -0.234 115.479 115.700 0.023 0.000 2.559 880 S HA 0.379 4.847 4.470 -0.003 0.000 0.226 880 S C 0.090 174.696 174.600 0.009 0.000 1.000 880 S CA -0.646 57.563 58.200 0.015 0.000 0.948 880 S CB -0.326 62.873 63.200 -0.002 0.000 0.870 880 S HN 0.391 nan 8.310 nan 0.000 0.497 881 L N 3.336 124.566 121.223 0.011 0.000 2.315 881 L HA 0.506 4.844 4.340 -0.003 0.000 0.283 881 L C 0.033 176.904 176.870 0.002 0.000 1.089 881 L CA -0.293 54.549 54.840 0.004 0.000 0.833 881 L CB 0.541 42.603 42.059 0.005 0.000 1.170 881 L HN 0.236 nan 8.230 nan 0.000 0.442 882 R N 5.615 126.109 120.500 -0.010 0.000 2.215 882 R HA 0.463 4.802 4.340 -0.003 0.000 0.336 882 R C -0.866 175.411 176.300 -0.038 0.000 0.996 882 R CA -0.655 55.428 56.100 -0.029 0.000 0.847 882 R CB 0.484 30.763 30.300 -0.035 0.000 1.127 882 R HN 0.774 nan 8.270 nan 0.000 0.465 883 L N 3.045 124.240 121.223 -0.046 0.000 2.467 883 L HA 0.208 4.546 4.340 -0.003 0.000 0.270 883 L C 0.611 177.452 176.870 -0.049 0.000 1.205 883 L CA -0.251 54.567 54.840 -0.038 0.000 0.828 883 L CB 0.754 42.791 42.059 -0.037 0.000 1.101 883 L HN 0.690 nan 8.230 nan 0.000 0.479 884 A N 2.398 125.207 122.820 -0.019 0.000 2.328 884 A HA 0.265 4.584 4.320 -0.003 0.000 0.284 884 A C -0.047 177.541 177.584 0.007 0.000 1.160 884 A CA -0.576 51.456 52.037 -0.007 0.000 0.818 884 A CB 0.045 19.054 19.000 0.015 0.000 1.087 884 A HN 0.758 nan 8.150 nan 0.000 0.504 885 E N 0.886 121.089 120.200 0.005 0.000 2.480 885 E HA 0.325 4.673 4.350 -0.003 0.000 0.258 885 E C 1.066 177.752 176.600 0.143 0.000 0.984 885 E CA 1.066 57.497 56.400 0.051 0.000 0.930 885 E CB 0.295 30.034 29.700 0.066 0.000 0.936 885 E HN 1.205 nan 8.360 nan 0.000 0.466 886 G N 2.108 111.061 108.800 0.256 0.000 2.231 886 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.206 886 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.206 886 G C 0.431 175.460 174.900 0.216 0.000 0.996 886 G CA -0.283 44.998 45.100 0.302 0.000 0.645 886 G HN 0.825 nan 8.290 nan 0.000 0.498 887 A N 0.520 123.430 122.820 0.150 0.000 2.565 887 A HA 0.642 4.961 4.320 -0.003 0.000 0.237 887 A C 0.965 178.633 177.584 0.141 0.000 1.053 887 A CA 1.342 53.440 52.037 0.101 0.000 0.755 887 A CB 0.249 19.282 19.000 0.055 0.000 0.980 887 A HN 2.114 nan 8.150 nan 0.000 0.506 888 A N 2.727 125.608 122.820 0.101 0.000 2.309 888 A HA 0.617 4.935 4.320 -0.003 0.000 0.298 888 A C -0.136 177.495 177.584 0.078 0.000 1.165 888 A CA -0.448 51.655 52.037 0.109 0.000 0.821 888 A CB 0.194 19.233 19.000 0.065 0.000 1.102 888 A HN 0.825 nan 8.150 nan 0.000 0.500 889 L N 2.909 124.181 121.223 0.082 0.000 2.307 889 L HA 0.617 4.955 4.340 -0.003 0.000 0.284 889 L C -0.672 176.222 176.870 0.040 0.000 1.023 889 L CA -0.753 54.117 54.840 0.049 0.000 0.810 889 L CB 1.552 43.633 42.059 0.036 0.000 1.231 889 L HN 0.430 nan 8.230 nan 0.000 0.423 890 V N 1.352 121.282 119.914 0.027 0.000 2.914 890 V HA 0.589 4.707 4.120 -0.003 0.000 0.314 890 V C 0.309 176.412 176.094 0.015 0.000 1.084 890 V CA -0.969 61.344 62.300 0.021 0.000 0.963 890 V CB 1.920 33.754 31.823 0.019 0.000 1.025 890 V HN 0.877 nan 8.190 nan 0.000 0.432 891 A N 2.002 124.829 122.820 0.012 0.000 2.531 891 A HA 0.517 4.835 4.320 -0.003 0.000 0.236 891 A C 1.532 179.121 177.584 0.008 0.000 1.062 891 A CA 0.533 52.575 52.037 0.008 0.000 0.760 891 A CB 0.210 19.213 19.000 0.006 0.000 0.995 891 A HN 1.568 nan 8.150 nan 0.000 0.501 892 A N 1.563 124.387 122.820 0.007 0.000 2.019 892 A HA -0.115 4.204 4.320 -0.003 0.000 0.219 892 A C 1.424 179.011 177.584 0.006 0.000 1.164 892 A CA 1.801 53.842 52.037 0.007 0.000 0.644 892 A CB -0.313 18.690 19.000 0.006 0.000 0.805 892 A HN 0.899 nan 8.150 nan 0.000 0.449 893 D N -0.614 119.790 120.400 0.005 0.000 2.363 893 D HA 0.347 4.985 4.640 -0.003 0.000 0.214 893 D C 0.570 176.873 176.300 0.005 0.000 1.093 893 D CA 0.468 54.471 54.000 0.005 0.000 0.837 893 D CB -0.340 40.462 40.800 0.004 0.000 0.948 893 D HN 0.304 nan 8.370 nan 0.000 0.507 894 A N 0.997 123.821 122.820 0.006 0.000 2.477 894 A HA 0.457 4.775 4.320 -0.003 0.000 0.246 894 A C 0.591 178.179 177.584 0.006 0.000 1.078 894 A CA -0.298 51.742 52.037 0.006 0.000 0.770 894 A CB 0.597 19.602 19.000 0.008 0.000 1.011 894 A HN 0.279 nan 8.150 nan 0.000 0.494 895 V N -0.802 119.115 119.914 0.005 0.000 3.166 895 V HA 0.951 5.069 4.120 -0.003 0.000 0.317 895 V C 0.403 176.499 176.094 0.005 0.000 1.136 895 V CA -0.557 61.746 62.300 0.005 0.000 1.035 895 V CB 1.153 32.978 31.823 0.004 0.000 1.110 895 V HN 1.551 nan 8.190 nan 0.000 0.450 896 A N 0.593 123.415 122.820 0.004 0.000 2.279 896 A HA 0.841 5.159 4.320 -0.003 0.000 0.303 896 A C 0.151 177.737 177.584 0.003 0.000 1.108 896 A CA -0.408 51.631 52.037 0.003 0.000 0.830 896 A CB 1.049 20.051 19.000 0.003 0.000 1.106 896 A HN 1.218 nan 8.150 nan 0.000 0.493 897 S N 0.445 116.147 115.700 0.002 0.000 2.571 897 S HA 0.386 4.855 4.470 -0.003 0.000 0.238 897 S C -0.141 174.460 174.600 0.001 0.000 1.153 897 S CA -0.134 58.067 58.200 0.002 0.000 1.141 897 S CB 0.637 63.839 63.200 0.002 0.000 1.133 897 S HN 0.964 nan 8.310 nan 0.000 0.464 898 E N 1.554 121.755 120.200 0.001 0.000 2.971 898 E HA -0.279 4.070 4.350 -0.003 0.000 0.278 898 E C 0.845 177.445 176.600 0.000 0.000 1.009 898 E CA 1.012 57.413 56.400 0.000 0.000 0.862 898 E CB -1.221 28.480 29.700 0.000 0.000 1.436 898 E HN 1.364 nan 8.360 nan 0.000 0.434 899 G N -2.079 106.721 108.800 0.000 0.000 2.201 899 G HA2 -0.238 3.721 3.960 -0.003 0.000 0.212 899 G HA3 -0.238 3.721 3.960 -0.003 0.000 0.212 899 G C 0.050 174.950 174.900 0.000 0.000 0.994 899 G CA -0.015 45.085 45.100 0.000 0.000 0.644 899 G HN 0.530 nan 8.290 nan 0.000 0.508 900 V N 1.870 121.784 119.914 0.001 0.000 2.495 900 V HA 0.789 4.907 4.120 -0.003 0.000 0.298 900 V C 0.373 176.468 176.094 0.003 0.000 1.031 900 V CA 0.126 62.427 62.300 0.001 0.000 0.871 900 V CB 1.703 33.526 31.823 0.000 0.000 0.988 900 V HN 0.878 nan 8.190 nan 0.000 0.432 901 T N 2.803 117.359 114.554 0.004 0.000 2.812 901 T HA 0.659 5.007 4.350 -0.003 0.000 0.282 901 T C -2.665 172.039 174.700 0.008 0.000 0.990 901 T CA -2.057 60.047 62.100 0.006 0.000 0.960 901 T CB 1.636 70.508 68.868 0.007 0.000 0.948 901 T HN 0.417 nan 8.240 nan 0.000 0.438 902 P HA 0.257 nan 4.420 nan 0.000 0.266 902 P C -0.592 176.717 177.300 0.015 0.000 1.195 902 P CA -0.087 63.019 63.100 0.010 0.000 0.768 902 P CB 0.345 32.050 31.700 0.009 0.000 0.838 903 M N 2.030 121.643 119.600 0.021 0.000 2.508 903 M HA 0.220 4.698 4.480 -0.003 0.000 0.327 903 M C 0.963 177.284 176.300 0.036 0.000 1.160 903 M CA -0.544 54.775 55.300 0.032 0.000 0.980 903 M CB 2.074 34.699 32.600 0.041 0.000 1.693 903 M HN 0.257 nan 8.290 nan 0.000 0.452 904 E N 0.902 121.126 120.200 0.038 0.000 2.415 904 E HA 0.347 4.695 4.350 -0.003 0.000 0.197 904 E C 0.640 177.269 176.600 0.049 0.000 1.007 904 E CA 0.205 56.622 56.400 0.029 0.000 0.890 904 E CB 0.956 30.664 29.700 0.013 0.000 0.891 904 E HN 0.958 nan 8.360 nan 0.000 0.496 905 G N 0.452 109.309 108.800 0.094 0.000 2.343 905 G HA2 0.244 4.203 3.960 -0.003 0.000 0.289 905 G HA3 0.244 4.203 3.960 -0.003 0.000 0.289 905 G C -1.837 173.211 174.900 0.247 0.000 1.295 905 G CA -0.509 44.688 45.100 0.161 0.000 0.869 905 G HN 0.036 nan 8.290 nan 0.000 0.522 906 W N -0.430 120.856 121.300 -0.023 0.000 3.083 906 W HA 0.709 5.368 4.660 -0.002 0.000 0.333 906 W C -1.047 175.440 176.519 -0.054 0.000 1.217 906 W CA -1.472 55.854 57.345 -0.031 0.000 1.170 906 W CB 0.886 30.331 29.460 -0.025 0.000 1.437 906 W HN 0.591 nan 8.180 nan 0.000 0.557 907 V N 2.817 122.730 119.914 -0.002 0.000 2.408 907 V HA 0.093 4.212 4.120 -0.003 0.000 0.267 907 V C 1.501 177.384 176.094 -0.352 0.000 1.047 907 V CA 0.767 62.939 62.300 -0.214 0.000 0.937 907 V CB 0.663 32.434 31.823 -0.087 0.000 0.999 907 V HN 0.742 nan 8.190 nan 0.000 0.472 908 T N 1.233 115.316 114.554 -0.785 0.000 2.937 908 T HA 0.035 4.384 4.350 -0.003 0.000 0.260 908 T C 0.603 174.984 174.700 -0.531 0.000 1.051 908 T CA 0.730 62.287 62.100 -0.905 0.000 1.141 908 T CB -0.018 68.097 68.868 -1.256 0.000 0.879 908 T HN 0.752 nan 8.240 nan 0.000 0.459 909 H N 0.145 119.104 119.070 -0.186 0.000 3.037 909 H HA 0.760 5.315 4.556 -0.003 0.000 0.355 909 H C -1.338 173.724 175.328 -0.443 0.000 1.263 909 H CA -1.206 54.676 56.048 -0.276 0.000 1.129 909 H CB 1.536 31.213 29.762 -0.141 0.000 1.861 909 H HN 0.398 nan 8.280 nan 0.000 0.546 910 A N 1.528 123.956 122.820 -0.654 0.000 2.465 910 A HA 0.630 4.948 4.320 -0.003 0.000 0.292 910 A C -1.996 175.068 177.584 -0.867 0.000 1.041 910 A CA -0.597 51.063 52.037 -0.627 0.000 0.718 910 A CB 1.186 19.994 19.000 -0.320 0.000 1.266 910 A HN 0.524 nan 8.150 nan 0.000 0.403 911 Y N 0.285 120.342 120.300 -0.406 0.000 2.805 911 Y HA 0.568 5.116 4.550 -0.003 0.000 0.323 911 Y C 0.364 176.200 175.900 -0.106 0.000 1.279 911 Y CA -1.046 56.923 58.100 -0.217 0.000 1.103 911 Y CB 1.548 39.899 38.460 -0.181 0.000 1.324 911 Y HN 0.700 nan 8.280 nan 0.000 0.498 912 N N 0.222 119.057 118.700 0.226 0.000 2.476 912 N HA 0.308 5.046 4.740 -0.003 0.000 0.257 912 N C -1.550 174.131 175.510 0.285 0.000 0.970 912 N CA -0.111 53.080 53.050 0.235 0.000 0.938 912 N CB 0.830 39.444 38.487 0.212 0.000 1.144 912 N HN 0.514 nan 8.380 nan 0.000 0.500 913 S N 4.149 120.034 115.700 0.309 0.000 2.410 913 S HA 0.344 4.813 4.470 -0.003 0.000 0.304 913 S C -1.809 172.794 174.600 0.005 0.000 1.095 913 S CA -1.771 56.523 58.200 0.157 0.000 1.089 913 S CB 1.182 64.469 63.200 0.146 0.000 0.968 913 S HN 0.517 nan 8.310 nan 0.000 0.480 914 P HA 0.060 nan 4.420 nan 0.000 0.220 914 P C 1.274 178.425 177.300 -0.248 0.000 1.152 914 P CA 0.827 63.711 63.100 -0.359 0.000 0.812 914 P CB 0.118 31.327 31.700 -0.819 0.000 0.792 915 A N -0.348 122.259 122.820 -0.355 0.000 1.898 915 A HA -0.120 4.199 4.320 -0.003 0.000 0.216 915 A C 2.032 179.470 177.584 -0.242 0.000 1.181 915 A CA 1.408 53.175 52.037 -0.450 0.000 0.620 915 A CB -1.577 16.818 19.000 -1.009 0.000 0.819 915 A HN 0.129 nan 8.150 nan 0.000 0.442 916 L N -1.165 119.939 121.223 -0.199 0.000 2.558 916 L HA 0.185 4.523 4.340 -0.003 0.000 0.225 916 L C 1.662 178.519 176.870 -0.021 0.000 1.128 916 L CA 0.441 55.224 54.840 -0.094 0.000 0.868 916 L CB -0.359 41.612 42.059 -0.147 0.000 1.006 916 L HN 0.568 nan 8.230 nan 0.000 0.454 917 G N 1.861 110.659 108.800 -0.004 0.000 2.225 917 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.267 917 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.267 917 G C 0.282 175.226 174.900 0.075 0.000 1.024 917 G CA 0.847 45.977 45.100 0.050 0.000 0.784 917 G HN 0.598 nan 8.290 nan 0.000 0.507 918 R N -2.406 118.153 120.500 0.098 0.000 2.752 918 R HA 0.649 4.988 4.340 -0.003 0.000 0.277 918 R C -0.257 176.154 176.300 0.186 0.000 1.024 918 R CA -0.310 55.859 56.100 0.114 0.000 0.866 918 R CB -0.016 30.335 30.300 0.084 0.000 1.278 918 R HN 0.557 nan 8.270 nan 0.000 0.473 919 T N -0.477 114.178 114.554 0.168 0.000 2.909 919 T HA 0.652 5.001 4.350 -0.003 0.000 0.289 919 T C 0.022 174.883 174.700 0.268 0.000 1.005 919 T CA -0.447 61.770 62.100 0.195 0.000 1.084 919 T CB 0.548 69.468 68.868 0.087 0.000 0.975 919 T HN 0.509 nan 8.240 nan 0.000 0.509 920 F N -1.180 118.809 119.950 0.065 0.000 2.923 920 F HA 0.908 5.434 4.527 -0.002 0.000 0.323 920 F C -0.448 175.393 175.800 0.070 0.000 1.189 920 F CA -0.999 57.034 58.000 0.055 0.000 0.930 920 F CB 1.189 40.222 39.000 0.054 0.000 1.414 920 F HN 1.006 nan 8.300 nan 0.000 0.496 921 G N 0.602 109.339 108.800 -0.106 0.000 2.579 921 G HA2 0.514 4.472 3.960 -0.003 0.000 0.292 921 G HA3 0.514 4.472 3.960 -0.003 0.000 0.292 921 G C -2.483 172.427 174.900 0.016 0.000 1.484 921 G CA -1.073 43.881 45.100 -0.244 0.000 0.813 921 G HN 0.818 nan 8.290 nan 0.000 0.515 922 L N 0.459 121.656 121.223 -0.044 0.000 2.322 922 L HA 0.822 5.160 4.340 -0.003 0.000 0.279 922 L C 0.552 177.244 176.870 -0.298 0.000 1.036 922 L CA -0.725 54.072 54.840 -0.072 0.000 0.807 922 L CB 1.669 43.739 42.059 0.017 0.000 1.226 922 L HN 0.854 nan 8.230 nan 0.000 0.433 923 A N 3.315 125.988 122.820 -0.246 0.000 2.594 923 A HA 0.807 5.125 4.320 -0.003 0.000 0.291 923 A C -1.345 176.061 177.584 -0.296 0.000 1.105 923 A CA -0.565 51.262 52.037 -0.349 0.000 0.694 923 A CB 1.618 20.485 19.000 -0.221 0.000 1.291 923 A HN 0.614 nan 8.150 nan 0.000 0.410 924 L N 2.222 123.210 121.223 -0.391 0.000 2.295 924 L HA 0.461 4.800 4.340 -0.003 0.000 0.281 924 L C -0.981 175.829 176.870 -0.099 0.000 1.018 924 L CA -0.453 54.257 54.840 -0.217 0.000 0.841 924 L CB 1.018 42.929 42.059 -0.247 0.000 1.218 924 L HN 0.468 nan 8.230 nan 0.000 0.424 925 I N 2.470 123.007 120.570 -0.054 0.000 2.493 925 I HA 0.246 4.414 4.170 -0.003 0.000 0.298 925 I C 1.198 177.256 176.117 -0.098 0.000 0.998 925 I CA -0.680 60.591 61.300 -0.048 0.000 1.137 925 I CB 1.740 39.714 38.000 -0.044 0.000 1.310 925 I HN 0.579 nan 8.210 nan 0.000 0.445 926 K N 2.374 122.724 120.400 -0.083 0.000 2.366 926 K HA -0.212 4.106 4.320 -0.003 0.000 0.202 926 K C 0.402 176.832 176.600 -0.284 0.000 1.045 926 K CA 1.546 57.756 56.287 -0.128 0.000 0.934 926 K CB -0.038 32.424 32.500 -0.063 0.000 0.746 926 K HN 0.543 nan 8.250 nan 0.000 0.470 927 N N -1.690 116.811 118.700 -0.332 0.000 2.381 927 N HA 0.044 4.783 4.740 -0.003 0.000 0.248 927 N C 0.670 176.057 175.510 -0.206 0.000 1.430 927 N CA 0.417 53.210 53.050 -0.428 0.000 0.993 927 N CB 0.220 38.600 38.487 -0.177 0.000 1.352 927 N HN 0.021 nan 8.380 nan 0.000 0.520 928 G N 0.930 109.640 108.800 -0.151 0.000 2.606 928 G HA2 -0.364 3.595 3.960 -0.003 0.000 0.221 928 G HA3 -0.364 3.595 3.960 -0.003 0.000 0.221 928 G C 1.470 176.438 174.900 0.112 0.000 1.152 928 G CA 1.011 46.125 45.100 0.023 0.000 0.765 928 G HN 0.404 nan 8.290 nan 0.000 0.595 929 R N 0.070 120.740 120.500 0.282 0.000 2.193 929 R HA -0.019 4.319 4.340 -0.003 0.000 0.229 929 R C 1.021 177.392 176.300 0.119 0.000 1.110 929 R CA 1.083 57.296 56.100 0.188 0.000 0.988 929 R CB -0.099 30.302 30.300 0.169 0.000 0.871 929 R HN 0.336 nan 8.270 nan 0.000 0.458 930 N N 0.282 119.051 118.700 0.116 0.000 2.273 930 N HA 0.087 4.826 4.740 -0.003 0.000 0.231 930 N C 0.141 175.671 175.510 0.034 0.000 1.134 930 N CA 0.166 53.255 53.050 0.065 0.000 0.856 930 N CB 0.940 39.468 38.487 0.067 0.000 1.068 930 N HN 0.154 nan 8.380 nan 0.000 0.510 931 R N 0.089 120.607 120.500 0.030 0.000 2.590 931 R HA 0.292 4.631 4.340 -0.003 0.000 0.410 931 R C -0.135 176.174 176.300 0.015 0.000 1.010 931 R CA -0.446 55.662 56.100 0.014 0.000 1.155 931 R CB 0.980 31.280 30.300 -0.000 0.000 1.455 931 R HN -0.025 nan 8.270 nan 0.000 0.567 932 I N 1.362 121.945 120.570 0.020 0.000 2.821 932 I HA -0.059 4.109 4.170 -0.003 0.000 0.294 932 I C 1.495 177.619 176.117 0.010 0.000 1.210 932 I CA 1.580 62.890 61.300 0.016 0.000 1.430 932 I CB -0.041 37.968 38.000 0.015 0.000 1.356 932 I HN 0.663 nan 8.210 nan 0.000 0.563 933 G N 5.023 113.828 108.800 0.009 0.000 2.259 933 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.217 933 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.217 933 G C 0.383 175.288 174.900 0.007 0.000 1.001 933 G CA 0.072 45.176 45.100 0.007 0.000 0.627 933 G HN 0.611 nan 8.290 nan 0.000 0.501 934 E N 0.534 120.739 120.200 0.007 0.000 2.404 934 E HA 0.421 4.769 4.350 -0.003 0.000 0.261 934 E C -0.086 176.518 176.600 0.007 0.000 1.074 934 E CA -0.117 56.286 56.400 0.006 0.000 0.917 934 E CB 0.805 30.508 29.700 0.004 0.000 0.965 934 E HN 0.195 nan 8.360 nan 0.000 0.433 935 V N 5.705 125.623 119.914 0.006 0.000 2.370 935 V HA 0.325 4.443 4.120 -0.003 0.000 0.283 935 V C 0.139 176.237 176.094 0.007 0.000 1.023 935 V CA -0.525 61.780 62.300 0.008 0.000 0.857 935 V CB 0.969 32.797 31.823 0.007 0.000 0.985 935 V HN 0.566 nan 8.190 nan 0.000 0.443 936 L N 4.094 125.322 121.223 0.008 0.000 2.304 936 L HA 0.691 5.029 4.340 -0.003 0.000 0.268 936 L C -0.078 176.798 176.870 0.010 0.000 1.010 936 L CA -0.920 53.926 54.840 0.009 0.000 0.813 936 L CB 1.950 44.014 42.059 0.009 0.000 1.315 936 L HN 0.495 nan 8.230 nan 0.000 0.445 937 K N -0.067 120.339 120.400 0.012 0.000 2.318 937 K HA 0.684 5.002 4.320 -0.003 0.000 0.249 937 K C -1.346 175.263 176.600 0.015 0.000 0.942 937 K CA -0.667 55.627 56.287 0.012 0.000 0.808 937 K CB 2.336 34.843 32.500 0.011 0.000 1.189 937 K HN 0.499 nan 8.250 nan 0.000 0.428 938 T N 2.821 117.383 114.554 0.014 0.000 2.921 938 T HA 0.312 4.660 4.350 -0.003 0.000 0.297 938 T C -2.800 171.908 174.700 0.014 0.000 1.013 938 T CA -1.545 60.565 62.100 0.017 0.000 0.990 938 T CB 1.772 70.650 68.868 0.017 0.000 1.023 938 T HN 0.383 nan 8.240 nan 0.000 0.447 939 P HA 0.309 nan 4.420 nan 0.000 0.270 939 P C -1.017 176.289 177.300 0.011 0.000 1.242 939 P CA -0.197 62.910 63.100 0.012 0.000 0.768 939 P CB 0.491 32.198 31.700 0.012 0.000 0.820 940 V N 3.825 123.744 119.914 0.009 0.000 2.623 940 V HA 0.159 4.277 4.120 -0.003 0.000 0.304 940 V C -0.010 176.088 176.094 0.006 0.000 1.054 940 V CA -0.478 61.827 62.300 0.007 0.000 0.882 940 V CB 1.476 33.303 31.823 0.006 0.000 1.002 940 V HN 0.503 nan 8.190 nan 0.000 0.424 941 D N 3.814 124.217 120.400 0.006 0.000 2.751 941 D HA -0.180 4.458 4.640 -0.003 0.000 0.233 941 D C 1.315 177.618 176.300 0.005 0.000 1.149 941 D CA 2.128 56.131 54.000 0.005 0.000 0.682 941 D CB -1.158 39.644 40.800 0.004 0.000 1.068 941 D HN 1.562 nan 8.370 nan 0.000 0.429 942 G N -1.143 107.661 108.800 0.006 0.000 2.176 942 G HA2 -0.325 3.633 3.960 -0.003 0.000 0.253 942 G HA3 -0.325 3.633 3.960 -0.003 0.000 0.253 942 G C 0.168 175.071 174.900 0.005 0.000 0.979 942 G CA 0.553 45.656 45.100 0.005 0.000 0.641 942 G HN 0.541 nan 8.290 nan 0.000 0.530 943 Q N -0.995 118.808 119.800 0.006 0.000 2.456 943 Q HA 0.667 5.005 4.340 -0.003 0.000 0.283 943 Q C -0.335 175.669 176.000 0.007 0.000 1.084 943 Q CA -1.021 54.785 55.803 0.006 0.000 0.801 943 Q CB 1.995 30.736 28.738 0.005 0.000 1.434 943 Q HN 0.215 nan 8.270 nan 0.000 0.419 944 L N 2.047 123.274 121.223 0.007 0.000 2.325 944 L HA 0.309 4.647 4.340 -0.003 0.000 0.284 944 L C -0.488 176.386 176.870 0.008 0.000 1.089 944 L CA -0.550 54.295 54.840 0.008 0.000 0.836 944 L CB 0.431 42.495 42.059 0.008 0.000 1.184 944 L HN 0.277 nan 8.230 nan 0.000 0.444 945 V N 2.176 122.095 119.914 0.008 0.000 2.743 945 V HA 0.213 4.332 4.120 -0.003 0.000 0.301 945 V C -0.038 176.061 176.094 0.009 0.000 1.057 945 V CA -0.764 61.541 62.300 0.008 0.000 1.006 945 V CB 1.855 33.683 31.823 0.008 0.000 1.024 945 V HN 0.565 nan 8.190 nan 0.000 0.473 946 D N 2.171 122.576 120.400 0.009 0.000 2.256 946 D HA 0.514 5.153 4.640 -0.003 0.000 0.250 946 D C -0.348 175.959 176.300 0.012 0.000 1.093 946 D CA 0.156 54.162 54.000 0.010 0.000 0.882 946 D CB 1.671 42.477 40.800 0.009 0.000 1.185 946 D HN 0.499 nan 8.370 nan 0.000 0.437 947 V N -0.235 119.686 119.914 0.012 0.000 2.760 947 V HA 0.506 4.625 4.120 -0.003 0.000 0.309 947 V C -0.811 175.292 176.094 0.015 0.000 1.077 947 V CA -1.026 61.283 62.300 0.015 0.000 0.910 947 V CB 1.875 33.705 31.823 0.013 0.000 1.008 947 V HN 0.422 nan 8.190 nan 0.000 0.424 948 Q N 2.775 122.587 119.800 0.019 0.000 2.307 948 Q HA 0.663 5.002 4.340 -0.003 0.000 0.262 948 Q C -0.459 175.553 176.000 0.020 0.000 0.961 948 Q CA -0.843 54.970 55.803 0.017 0.000 0.882 948 Q CB 2.094 30.842 28.738 0.017 0.000 1.264 948 Q HN 1.210 nan 8.270 nan 0.000 0.446 949 V N 1.488 121.411 119.914 0.015 0.000 2.521 949 V HA 0.439 4.557 4.120 -0.003 0.000 0.286 949 V C -0.020 176.085 176.094 0.019 0.000 1.034 949 V CA -0.166 62.144 62.300 0.016 0.000 1.045 949 V CB 0.933 32.762 31.823 0.010 0.000 0.974 949 V HN 0.697 nan 8.190 nan 0.000 0.480 950 S N 2.165 117.879 115.700 0.024 0.000 2.837 950 S HA 0.470 4.938 4.470 -0.003 0.000 0.314 950 S C -0.561 174.048 174.600 0.015 0.000 1.098 950 S CA -0.821 57.389 58.200 0.017 0.000 0.903 950 S CB 1.537 64.746 63.200 0.016 0.000 1.310 950 S HN 0.933 nan 8.310 nan 0.000 0.581 951 D N 1.833 122.233 120.400 0.001 0.000 2.372 951 D HA 0.117 4.755 4.640 -0.003 0.000 0.243 951 D C 1.190 177.488 176.300 -0.003 0.000 1.121 951 D CA -0.288 53.710 54.000 -0.004 0.000 0.898 951 D CB 0.814 41.600 40.800 -0.023 0.000 1.202 951 D HN 0.331 nan 8.370 nan 0.000 0.428 952 L N 2.506 123.733 121.223 0.006 0.000 2.013 952 L HA -0.156 4.182 4.340 -0.003 0.000 0.212 952 L C 0.462 177.314 176.870 -0.031 0.000 1.073 952 L CA 1.695 56.543 54.840 0.012 0.000 0.753 952 L CB 0.048 42.126 42.059 0.032 0.000 0.890 952 L HN 0.229 nan 8.230 nan 0.000 0.432 953 V N 1.411 121.285 119.914 -0.068 0.000 2.385 953 V HA 0.078 4.196 4.120 -0.003 0.000 0.269 953 V C 1.168 177.181 176.094 -0.135 0.000 1.043 953 V CA -0.367 61.852 62.300 -0.134 0.000 0.906 953 V CB 1.314 33.046 31.823 -0.152 0.000 0.995 953 V HN 0.245 nan 8.190 nan 0.000 0.467 954 L N 3.851 124.971 121.223 -0.172 0.000 2.269 954 L HA 0.313 4.651 4.340 -0.003 0.000 0.200 954 L C 0.710 177.511 176.870 -0.115 0.000 1.069 954 L CA 1.301 56.038 54.840 -0.170 0.000 0.804 954 L CB -0.201 41.678 42.059 -0.300 0.000 0.987 954 L HN 0.568 nan 8.230 nan 0.000 0.468 955 F N 1.744 121.511 119.950 -0.306 0.000 2.411 955 F HA 0.213 4.738 4.527 -0.002 0.000 0.350 955 F C 0.540 176.206 175.800 -0.224 0.000 1.114 955 F CA -1.135 56.708 58.000 -0.261 0.000 1.135 955 F CB 0.130 38.956 39.000 -0.289 0.000 1.120 955 F HN 0.196 nan 8.300 nan 0.000 0.495 956 D N 5.866 125.736 120.400 -0.884 0.000 2.802 956 D HA -0.187 4.452 4.640 -0.003 0.000 0.229 956 D C -2.020 174.021 176.300 -0.432 0.000 1.203 956 D CA 0.322 53.866 54.000 -0.761 0.000 0.712 956 D CB -0.154 39.990 40.800 -1.092 0.000 0.973 956 D HN 0.362 nan 8.370 nan 0.000 0.407 957 P HA -0.164 nan 4.420 nan 0.000 0.218 957 P C 0.989 178.165 177.300 -0.208 0.000 1.146 957 P CA 0.961 63.928 63.100 -0.222 0.000 0.813 957 P CB 0.195 31.792 31.700 -0.170 0.000 0.778 958 E N -1.659 118.410 120.200 -0.217 0.000 2.478 958 E HA 0.110 4.458 4.350 -0.003 0.000 0.194 958 E C 1.387 177.859 176.600 -0.212 0.000 1.045 958 E CA 0.732 57.017 56.400 -0.191 0.000 0.868 958 E CB -0.749 28.849 29.700 -0.169 0.000 0.885 958 E HN 0.185 nan 8.360 nan 0.000 0.505 959 G N 2.281 110.929 108.800 -0.255 0.000 2.246 959 G HA2 -0.328 3.631 3.960 -0.003 0.000 0.273 959 G HA3 -0.328 3.631 3.960 -0.003 0.000 0.273 959 G C 0.963 175.714 174.900 -0.249 0.000 1.055 959 G CA 0.794 45.735 45.100 -0.264 0.000 0.851 959 G HN 0.363 nan 8.290 nan 0.000 0.500 960 S N -1.047 114.508 115.700 -0.242 0.000 2.515 960 S HA 0.045 4.514 4.470 -0.003 0.000 0.231 960 S C 1.781 176.271 174.600 -0.183 0.000 0.987 960 S CA 0.983 59.065 58.200 -0.197 0.000 0.936 960 S CB 0.001 63.091 63.200 -0.182 0.000 0.766 960 S HN 0.660 nan 8.310 nan 0.000 0.528 961 R N 0.381 120.757 120.500 -0.208 0.000 2.393 961 R HA 0.327 4.665 4.340 -0.003 0.000 0.244 961 R C 2.055 178.260 176.300 -0.158 0.000 0.920 961 R CA -0.258 55.748 56.100 -0.156 0.000 1.076 961 R CB -0.103 30.120 30.300 -0.129 0.000 1.119 961 R HN 0.362 nan 8.270 nan 0.000 0.524 962 R N 1.245 121.612 120.500 -0.222 0.000 2.127 962 R HA -0.093 4.246 4.340 -0.003 0.000 0.238 962 R C -0.117 176.043 176.300 -0.234 0.000 1.134 962 R CA 1.440 57.357 56.100 -0.304 0.000 0.975 962 R CB 0.202 30.207 30.300 -0.492 0.000 0.865 962 R HN 0.173 nan 8.270 nan 0.000 0.447 963 D N 0.000 120.301 120.400 -0.165 0.000 6.856 963 D HA 0.000 4.638 4.640 -0.003 0.000 0.175 963 D CA 0.000 53.939 54.000 -0.101 0.000 0.868 963 D CB 0.000 40.756 40.800 -0.074 0.000 0.688 963 D HN 0.000 nan 8.370 nan 0.000 0.683